Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1799 | 1ayj RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PCA 1 HA PYR 1 2.853 1.583 6.018
2 1HB PCA 1 1HB PYR 1 0.771 -0.259 5.773
3 2HB PCA 1 2HB PYR 1 1.089 0.731 7.212
4 1HG PCA 1 1HG PYR 1 -1.009 1.231 5.116
5 2HG PCA 1 2HG PYR 1 -1.034 1.579 6.872
6 HN PCA 1 HN PYR 1 1.931 3.766 5.199
7 H LYS 2 H LYS 2 0.403 0.343 3.799
8 HA LYS 2 HA LYS 2 2.367 -0.111 1.685
9 1HB LYS 2 1HB LYS 2 0.668 -1.771 2.206
10 2HB LYS 2 2HB LYS 2 -0.626 -0.606 1.922
11 1HG LYS 2 1HG LYS 2 -0.376 -2.233 0.114
12 2HG LYS 2 2HG LYS 2 -0.193 -0.572 -0.441
13 1HD LYS 2 1HD LYS 2 2.256 -0.833 -0.589
14 2HD LYS 2 2HD LYS 2 2.152 -2.416 0.196
15 1HE LYS 2 1HE LYS 2 2.464 -2.713 -2.204
16 2HE LYS 2 2HE LYS 2 0.881 -3.328 -1.713
17 1HZ LYS 2 1HZ LYS 2 -0.089 -1.258 -2.555
18 2HZ LYS 2 2HZ LYS 2 1.380 -0.731 -3.029
19 3HZ LYS 2 3HZ LYS 2 0.721 -2.061 -3.727
20 H LEU 3 H LEU 3 2.837 2.295 1.756
21 HA LEU 3 HA LEU 3 0.867 3.942 0.304
22 1HB LEU 3 1HB LEU 3 3.513 4.671 1.483
23 2HB LEU 3 2HB LEU 3 2.401 5.810 0.745
24 HG LEU 3 HG LEU 3 1.354 4.114 3.011
25 1HD1 LEU 3 2HD1 LEU 3 3.109 6.587 3.332
26 2HD1 LEU 3 3HD1 LEU 3 2.165 5.831 4.632
27 3HD1 LEU 3 1HD1 LEU 3 3.507 4.948 3.874
28 1HD2 LEU 3 2HD2 LEU 3 -0.108 5.668 1.693
29 2HD2 LEU 3 3HD2 LEU 3 -0.075 5.939 3.441
30 3HD2 LEU 3 1HD2 LEU 3 0.811 7.023 2.362
31 H CYS 4 H CYS 4 1.311 4.920 -1.627
32 HA CYS 4 HA CYS 4 3.670 3.991 -3.228
33 1HB CYS 4 1HB CYS 4 0.818 4.478 -4.134
34 2HB CYS 4 2HB CYS 4 2.212 4.563 -5.224
35 H GLU 5 H GLU 5 5.032 5.519 -3.597
36 HA GLU 5 HA GLU 5 4.532 8.254 -2.708
37 1HB GLU 5 1HB GLU 5 7.067 6.809 -3.642
38 2HB GLU 5 2HB GLU 5 6.967 8.390 -2.862
39 1HG GLU 5 1HG GLU 5 7.498 6.925 -1.096
40 2HG GLU 5 2HG GLU 5 5.765 7.272 -0.943
41 HE2 GLU 5 HE2 GLU 5 5.317 3.915 -0.486
42 H ARG 6 H ARG 6 3.003 8.414 -4.561
43 HA ARG 6 HA ARG 6 4.171 8.551 -7.266
44 1HB ARG 6 1HB ARG 6 1.525 8.256 -6.216
45 2HB ARG 6 2HB ARG 6 1.542 9.811 -7.017
46 1HG ARG 6 1HG ARG 6 2.784 8.059 -8.869
47 2HG ARG 6 2HG ARG 6 1.536 7.093 -8.099
48 1HD ARG 6 1HD ARG 6 0.838 8.117 -10.214
49 2HD ARG 6 2HD ARG 6 -0.194 8.599 -8.861
50 HE ARG 6 HE ARG 6 1.617 10.631 -8.923
51 1HH1 ARG 6 2HH2 ARG 6 -0.417 9.315 -11.509
52 2HH1 ARG 6 1HH2 ARG 6 -0.628 10.863 -12.278
53 1HH2 ARG 6 1HH1 ARG 6 1.227 12.602 -9.804
54 2HH2 ARG 6 2HH1 ARG 6 0.480 12.850 -11.324
55 HA PRO 7 HA PRO 7 4.882 13.058 -6.866
56 1HB PRO 7 1HB PRO 7 4.652 13.853 -9.473
57 2HB PRO 7 2HB PRO 7 6.110 13.036 -8.848
58 1HG PRO 7 1HG PRO 7 3.813 11.798 -10.372
59 2HG PRO 7 2HG PRO 7 5.562 11.559 -10.638
60 1HD PRO 7 1HD PRO 7 4.034 9.805 -9.228
61 2HD PRO 7 2HD PRO 7 5.726 10.107 -8.753
62 H SER 8 H SER 8 3.158 14.502 -6.394
63 HA SER 8 HA SER 8 0.740 13.475 -5.856
64 1HB SER 8 1HB SER 8 1.286 16.350 -6.605
65 2HB SER 8 2HB SER 8 -0.132 15.786 -5.695
66 HG SER 8 HG SER 8 2.607 15.546 -4.935
67 H GLY 9 H GLY 9 -1.323 13.335 -6.650
68 1HA GLY 9 1HA GLY 9 -1.668 12.511 -9.345
69 2HA GLY 9 2HA GLY 9 -2.942 12.892 -8.174
70 H THR 10 H THR 10 -2.363 15.558 -7.600
71 HA THR 10 HA THR 10 -3.246 16.949 -10.041
72 HB THR 10 HB THR 10 -3.361 18.864 -8.406
73 HG1 THR 10 HG1 THR 10 -2.799 18.575 -6.382
74 1HG2 THR 10 3HG2 THR 10 -5.324 17.386 -8.752
75 2HG2 THR 10 1HG2 THR 10 -4.739 16.286 -7.488
76 3HG2 THR 10 2HG2 THR 10 -5.220 17.941 -7.070
77 H TRP 11 H TRP 11 -0.854 17.798 -7.587
78 HA TRP 11 HA TRP 11 0.741 19.322 -9.441
79 1HB TRP 11 1HB TRP 11 0.307 19.854 -7.080
80 2HB TRP 11 2HB TRP 11 1.362 18.545 -6.567
81 HD1 TRP 11 HD1 TRP 11 3.388 19.848 -9.186
82 HE1 TRP 11 HE1 TRP 11 4.956 21.747 -8.407
83 HE3 TRP 11 HE3 TRP 11 1.141 21.040 -4.752
84 HZ2 TRP 11 HZ2 TRP 11 5.108 23.614 -6.251
85 HZ3 TRP 11 HZ3 TRP 11 2.026 22.859 -3.346
86 HH2 TRP 11 HH2 TRP 11 4.065 24.096 -4.037
87 H SER 12 H SER 12 0.956 17.376 -10.913
88 HA SER 12 HA SER 12 2.972 15.372 -10.175
89 1HB SER 12 1HB SER 12 1.593 16.034 -12.820
90 2HB SER 12 2HB SER 12 2.612 14.619 -12.529
91 HG SER 12 HG SER 12 0.541 15.007 -10.712
92 H GLY 13 H GLY 13 4.446 17.459 -9.659
93 1HA GLY 13 1HA GLY 13 6.437 17.633 -11.754
94 2HA GLY 13 2HA GLY 13 5.412 19.077 -11.716
95 H VAL 14 H VAL 14 7.499 20.066 -11.362
96 HA VAL 14 HA VAL 14 9.130 19.668 -9.097
97 HB VAL 14 HB VAL 14 8.786 22.147 -10.821
98 1HG1 VAL 14 1HG1 VAL 14 11.053 21.338 -8.950
99 2HG1 VAL 14 2HG1 VAL 14 11.100 22.690 -10.097
100 3HG1 VAL 14 3HG1 VAL 14 9.962 22.728 -8.750
101 1HG2 VAL 14 1HG2 VAL 14 10.744 19.805 -11.012
102 2HG2 VAL 14 2HG2 VAL 14 9.444 20.162 -12.169
103 3HG2 VAL 14 3HG2 VAL 14 10.805 21.275 -12.005
104 H CYS 15 H CYS 15 9.159 20.609 -7.118
105 HA CYS 15 HA CYS 15 6.567 21.739 -6.204
106 1HB CYS 15 1HB CYS 15 7.315 20.894 -3.968
107 2HB CYS 15 2HB CYS 15 7.032 19.698 -5.225
108 H GLY 16 H GLY 16 10.059 22.096 -5.444
109 1HA GLY 16 1HA GLY 16 11.194 23.710 -4.296
110 2HA GLY 16 2HA GLY 16 10.166 24.868 -5.148
111 H ASN 17 H ASN 17 8.447 22.683 -2.978
112 HA ASN 17 HA ASN 17 8.797 24.214 -0.595
113 1HB ASN 17 1HB ASN 17 7.491 25.920 -1.943
114 2HB ASN 17 2HB ASN 17 6.143 24.785 -1.956
115 1HD2 ASN 17 2HD2 ASN 17 7.151 26.877 1.446
116 2HD2 ASN 17 1HD2 ASN 17 8.143 26.938 0.001
117 H ASN 18 H ASN 18 8.723 22.513 0.750
118 HA ASN 18 HA ASN 18 7.331 20.150 0.411
119 1HB ASN 18 1HB ASN 18 9.384 20.918 1.875
120 2HB ASN 18 2HB ASN 18 8.185 21.261 3.121
121 1HD2 ASN 18 1HD2 ASN 18 7.352 17.750 3.421
122 2HD2 ASN 18 2HD2 ASN 18 6.753 19.362 3.802
123 H ASN 19 H ASN 19 6.614 22.830 2.560
124 HA ASN 19 HA ASN 19 4.409 21.782 3.899
125 1HB ASN 19 1HB ASN 19 5.504 23.820 4.656
126 2HB ASN 19 2HB ASN 19 4.971 24.688 3.205
127 1HD2 ASN 19 2HD2 ASN 19 2.120 25.755 5.022
128 2HD2 ASN 19 1HD2 ASN 19 3.516 26.209 4.069
129 H ALA 20 H ALA 20 4.396 23.884 1.016
130 HA ALA 20 HA ALA 20 1.598 23.872 0.525
131 1HB ALA 20 2HB ALA 20 3.154 25.488 -0.529
132 2HB ALA 20 3HB ALA 20 3.875 24.160 -1.476
133 3HB ALA 20 1HB ALA 20 2.178 24.610 -1.723
134 H CYS 21 H CYS 21 4.293 21.903 -0.925
135 HA CYS 21 HA CYS 21 2.785 20.344 -2.631
136 1HB CYS 21 1HB CYS 21 5.150 20.111 -2.669
137 2HB CYS 21 2HB CYS 21 5.221 19.628 -0.966
138 H LYS 22 H LYS 22 3.597 19.488 0.742
139 HA LYS 22 HA LYS 22 1.996 17.235 1.166
140 1HB LYS 22 1HB LYS 22 3.563 18.068 2.843
141 2HB LYS 22 2HB LYS 22 2.763 19.604 2.898
142 1HG LYS 22 1HG LYS 22 0.715 18.478 3.926
143 2HG LYS 22 2HG LYS 22 1.607 16.964 3.876
144 1HD LYS 22 1HD LYS 22 1.587 18.099 6.098
145 2HD LYS 22 2HD LYS 22 3.197 17.741 5.485
146 1HE LYS 22 1HE LYS 22 2.894 20.000 6.611
147 2HE LYS 22 2HE LYS 22 3.706 19.995 5.050
148 1HZ LYS 22 2HZ LYS 22 0.835 20.625 5.349
149 2HZ LYS 22 3HZ LYS 22 2.026 21.758 5.386
150 3HZ LYS 22 1HZ LYS 22 1.797 20.913 4.026
151 H ASN 23 H ASN 23 1.105 20.663 1.812
152 HA ASN 23 HA ASN 23 -1.524 20.134 2.752
153 1HB ASN 23 1HB ASN 23 -0.473 22.259 3.222
154 2HB ASN 23 2HB ASN 23 -0.229 22.591 1.506
155 1HD2 ASN 23 2HD2 ASN 23 -3.002 24.764 2.045
156 2HD2 ASN 23 1HD2 ASN 23 -1.253 24.690 2.051
157 H GLN 24 H GLN 24 -0.624 21.560 -0.386
158 HA GLN 24 HA GLN 24 -3.065 21.387 -1.729
159 1HB GLN 24 1HB GLN 24 -0.990 22.588 -2.390
160 2HB GLN 24 2HB GLN 24 -0.197 21.066 -2.754
161 1HG GLN 24 1HG GLN 24 -2.682 22.198 -4.139
162 2HG GLN 24 2HG GLN 24 -1.032 22.345 -4.744
163 1HE2 GLN 24 2HE2 GLN 24 -0.986 18.566 -5.191
164 2HE2 GLN 24 1HE2 GLN 24 -0.148 19.628 -4.080
165 H CYS 25 H CYS 25 -0.524 18.765 -1.527
166 HA CYS 25 HA CYS 25 -1.952 17.027 -3.214
167 1HB CYS 25 1HB CYS 25 0.313 16.459 -2.475
168 2HB CYS 25 2HB CYS 25 -0.252 16.194 -0.828
169 H ILE 26 H ILE 26 -2.058 17.094 0.416
170 HA ILE 26 HA ILE 26 -4.144 15.041 0.313
171 HB ILE 26 HB ILE 26 -3.938 14.858 2.618
172 1HG1 ILE 26 1HG1 ILE 26 -2.561 17.568 2.655
173 2HG1 ILE 26 2HG1 ILE 26 -4.133 17.137 3.365
174 1HG2 ILE 26 2HG2 ILE 26 -2.001 14.157 1.149
175 2HG2 ILE 26 3HG2 ILE 26 -1.149 15.631 1.639
176 3HG2 ILE 26 1HG2 ILE 26 -1.586 14.428 2.837
177 1HD1 ILE 26 3HD1 ILE 26 -2.954 15.531 4.887
178 2HD1 ILE 26 1HD1 ILE 26 -1.404 16.177 4.292
179 3HD1 ILE 26 2HD1 ILE 26 -2.537 17.238 5.140
180 H ASN 27 H ASN 27 -4.112 18.446 0.224
181 HA ASN 27 HA ASN 27 -6.727 18.929 1.399
182 1HB ASN 27 1HB ASN 27 -4.861 20.481 1.423
183 2HB ASN 27 2HB ASN 27 -4.922 20.657 -0.349
184 1HD2 ASN 27 2HD2 ASN 27 -6.704 23.433 1.545
185 2HD2 ASN 27 1HD2 ASN 27 -5.126 22.660 1.759
186 H LEU 28 H LEU 28 -5.340 18.893 -1.968
187 HA LEU 28 HA LEU 28 -8.025 18.859 -3.130
188 1HB LEU 28 1HB LEU 28 -5.212 18.782 -4.252
189 2HB LEU 28 2HB LEU 28 -6.611 18.305 -5.215
190 HG LEU 28 HG LEU 28 -7.703 20.529 -4.601
191 1HD1 LEU 28 1HD1 LEU 28 -4.848 21.161 -3.736
192 2HD1 LEU 28 2HD1 LEU 28 -6.111 22.371 -4.035
193 3HD1 LEU 28 3HD1 LEU 28 -6.299 21.220 -2.711
194 1HD2 LEU 28 1HD2 LEU 28 -5.174 20.548 -6.281
195 2HD2 LEU 28 2HD2 LEU 28 -6.796 20.068 -6.815
196 3HD2 LEU 28 3HD2 LEU 28 -6.480 21.746 -6.346
197 H GLU 29 H GLU 29 -5.325 16.364 -3.340
198 HA GLU 29 HA GLU 29 -7.526 14.374 -3.708
199 1HB GLU 29 1HB GLU 29 -5.836 12.777 -4.295
200 2HB GLU 29 2HB GLU 29 -5.859 14.157 -5.373
201 1HG GLU 29 1HG GLU 29 -3.802 14.039 -3.152
202 2HG GLU 29 2HG GLU 29 -3.616 13.055 -4.606
203 HE1 GLU 29 HE2 GLU 29 -3.559 16.950 -5.472
204 H LYS 30 H LYS 30 -6.678 12.154 -2.378
205 HA LYS 30 HA LYS 30 -6.787 13.175 0.428
206 1HB LYS 30 1HB LYS 30 -8.342 10.954 -0.901
207 2HB LYS 30 2HB LYS 30 -8.370 11.274 0.841
208 1HG LYS 30 1HG LYS 30 -9.086 13.383 -1.251
209 2HG LYS 30 2HG LYS 30 -10.259 12.329 -0.488
210 1HD LYS 30 1HD LYS 30 -10.223 13.373 1.507
211 2HD LYS 30 2HD LYS 30 -8.522 13.762 1.490
212 1HE LYS 30 1HE LYS 30 -10.655 15.258 -0.109
213 2HE LYS 30 2HE LYS 30 -9.982 15.747 1.452
214 1HZ LYS 30 3HZ LYS 30 -7.745 15.798 0.290
215 2HZ LYS 30 1HZ LYS 30 -8.555 15.698 -1.127
216 3HZ LYS 30 2HZ LYS 30 -8.828 16.946 -0.144
217 H ALA 31 H ALA 31 -4.472 12.088 -1.143
218 HA ALA 31 HA ALA 31 -3.268 9.862 0.014
219 1HB ALA 31 3HB ALA 31 -2.371 11.413 -1.762
220 2HB ALA 31 1HB ALA 31 -2.156 12.635 -0.509
221 3HB ALA 31 2HB ALA 31 -1.193 11.144 -0.444
222 H ARG 32 H ARG 32 -1.428 9.929 1.711
223 HA ARG 32 HA ARG 32 -2.638 11.054 4.183
224 1HB ARG 32 1HB ARG 32 -0.356 9.077 3.775
225 2HB ARG 32 2HB ARG 32 -0.997 9.557 5.348
226 1HG ARG 32 1HG ARG 32 -2.672 8.182 3.211
227 2HG ARG 32 2HG ARG 32 -1.709 7.312 4.387
228 1HD ARG 32 1HD ARG 32 -3.992 7.359 5.195
229 2HD ARG 32 2HD ARG 32 -2.917 8.240 6.268
230 HE ARG 32 HE ARG 32 -4.169 10.105 5.972
231 1HH1 ARG 32 1HH2 ARG 32 -4.843 7.984 3.223
232 2HH1 ARG 32 2HH2 ARG 32 -5.647 9.250 2.299
233 1HH2 ARG 32 2HH1 ARG 32 -5.316 11.737 4.728
234 2HH2 ARG 32 1HH1 ARG 32 -5.819 11.313 3.113
235 H HIS 33 H HIS 33 0.792 10.847 3.175
236 HA HIS 33 HA HIS 33 1.054 13.662 4.099
237 1HB HIS 33 2HB HIS 33 3.486 13.160 4.509
238 2HB HIS 33 1HB HIS 33 2.315 12.586 5.689
239 HD1 HIS 33 HD1 HIS 33 1.701 9.971 5.622
240 HD2 HIS 33 HD2 HIS 33 5.241 11.168 3.733
241 HE1 HIS 33 HE1 HIS 33 3.179 7.919 5.423
242 H GLY 34 H GLY 34 2.824 14.809 2.947
243 1HA GLY 34 1HA GLY 34 3.691 13.796 0.428
244 2HA GLY 34 2HA GLY 34 2.608 15.201 0.254
245 H SER 35 H SER 35 5.362 15.294 -0.491
246 HA SER 35 HA SER 35 6.408 17.448 1.108
247 1HB SER 35 1HB SER 35 7.529 14.639 1.504
248 2HB SER 35 2HB SER 35 8.602 16.032 1.607
249 HG SER 35 HG SER 35 6.211 15.776 3.109
250 H CYS 36 H CYS 36 8.424 18.212 0.261
251 HA CYS 36 HA CYS 36 8.372 18.030 -2.670
252 1HB CYS 36 1HB CYS 36 8.195 20.189 -1.620
253 2HB CYS 36 2HB CYS 36 9.693 19.945 -0.694
254 H ASN 37 H ASN 37 9.190 15.756 -2.162
255 HA ASN 37 HA ASN 37 11.785 15.309 -1.101
256 1HB ASN 37 1HB ASN 37 10.175 13.497 -1.257
257 2HB ASN 37 2HB ASN 37 10.113 13.679 -3.020
258 1HD2 ASN 37 2HD2 ASN 37 12.737 11.372 -3.470
259 2HD2 ASN 37 1HD2 ASN 37 11.225 12.040 -4.050
260 H TYR 38 H TYR 38 13.723 14.667 -2.114
261 HA TYR 38 HA TYR 38 14.301 16.155 -4.562
262 1HB TYR 38 1HB TYR 38 15.769 16.504 -2.636
263 2HB TYR 38 2HB TYR 38 16.213 14.805 -2.642
264 HD1 TYR 38 HD1 TYR 38 15.897 17.505 -5.305
265 HD2 TYR 38 HD2 TYR 38 18.462 14.569 -3.459
266 HE1 TYR 38 HE1 TYR 38 17.393 17.583 -7.249
267 HE2 TYR 38 HE2 TYR 38 19.883 14.559 -5.492
268 HH TYR 38 HH TYR 38 18.947 16.382 -8.431
269 H VAL 39 H VAL 39 16.489 13.679 -4.379
270 HA VAL 39 HA VAL 39 17.077 12.039 -5.745
271 HB VAL 39 HB VAL 39 14.103 11.578 -6.302
272 1HG1 VAL 39 1HG1 VAL 39 16.537 9.862 -6.905
273 2HG1 VAL 39 2HG1 VAL 39 14.853 9.309 -6.965
274 3HG1 VAL 39 3HG1 VAL 39 15.396 10.559 -8.081
275 1HG2 VAL 39 2HG2 VAL 39 14.765 11.299 -3.892
276 2HG2 VAL 39 3HG2 VAL 39 14.337 9.766 -4.663
277 3HG2 VAL 39 1HG2 VAL 39 16.042 10.182 -4.403
278 H PHE 40 H PHE 40 17.508 11.723 -8.055
279 HA PHE 40 HA PHE 40 17.826 14.102 -9.438
280 1HB PHE 40 1HB PHE 40 19.135 12.187 -9.946
281 2HB PHE 40 2HB PHE 40 17.719 11.214 -10.356
282 HD1 PHE 40 HD1 PHE 40 16.528 11.532 -12.523
283 HD2 PHE 40 HD2 PHE 40 20.247 13.534 -11.608
284 HE1 PHE 40 HE1 PHE 40 16.831 12.080 -14.917
285 HE2 PHE 40 HE2 PHE 40 20.544 14.060 -14.008
286 HZ PHE 40 HZ PHE 40 18.834 13.348 -15.665
287 HA PRO 41 HA PRO 41 17.868 15.062 -11.390
288 1HB PRO 41 1HB PRO 41 16.880 17.044 -12.961
289 2HB PRO 41 2HB PRO 41 17.123 15.377 -13.545
290 1HG PRO 41 1HG PRO 41 14.532 16.680 -12.721
291 2HG PRO 41 2HG PRO 41 14.847 15.573 -14.075
292 1HD PRO 41 1HD PRO 41 13.801 14.776 -11.596
293 2HD PRO 41 2HD PRO 41 14.668 13.697 -12.719
294 H ALA 42 H ALA 42 14.788 16.767 -10.738
295 HA ALA 42 HA ALA 42 16.116 18.596 -8.786
296 1HB ALA 42 3HB ALA 42 15.342 19.718 -10.851
297 2HB ALA 42 1HB ALA 42 13.705 19.079 -10.580
298 3HB ALA 42 2HB ALA 42 14.413 20.235 -9.434
299 H HIS 43 H HIS 43 14.263 19.502 -7.272
300 HA HIS 43 HA HIS 43 13.047 17.301 -5.875
301 1HB HIS 43 2HB HIS 43 12.608 20.318 -5.690
302 2HB HIS 43 1HB HIS 43 11.863 19.119 -4.629
303 HD1 HIS 43 HD1 HIS 43 12.942 18.518 -2.540
304 HD2 HIS 43 HD2 HIS 43 15.582 20.341 -5.250
305 HE1 HIS 43 HE1 HIS 43 15.152 18.869 -1.334
306 H LYS 44 H LYS 44 10.796 16.762 -5.706
307 HA LYS 44 HA LYS 44 8.926 18.062 -7.538
308 1HB LYS 44 1HB LYS 44 8.239 16.124 -8.678
309 2HB LYS 44 2HB LYS 44 9.967 16.321 -8.950
310 1HG LYS 44 1HG LYS 44 8.735 14.401 -6.915
311 2HG LYS 44 2HG LYS 44 9.070 13.945 -8.573
312 1HD LYS 44 1HD LYS 44 11.261 14.921 -6.688
313 2HD LYS 44 2HD LYS 44 10.787 13.241 -6.845
314 1HE LYS 44 1HE LYS 44 11.420 13.112 -9.135
315 2HE LYS 44 2HE LYS 44 11.623 14.866 -9.291
316 1HZ LYS 44 3HZ LYS 44 13.262 13.443 -7.344
317 2HZ LYS 44 1HZ LYS 44 13.690 13.432 -8.942
318 3HZ LYS 44 2HZ LYS 44 13.559 14.828 -8.106
319 H CYS 45 H CYS 45 6.707 17.593 -7.077
320 HA CYS 45 HA CYS 45 6.440 17.429 -4.206
321 1HB CYS 45 1HB CYS 45 5.058 19.027 -5.490
322 2HB CYS 45 2HB CYS 45 4.310 17.694 -6.354
323 H ILE 46 H ILE 46 7.101 15.263 -3.690
324 HA ILE 46 HA ILE 46 5.593 12.986 -4.799
325 HB ILE 46 HB ILE 46 7.685 13.204 -2.616
326 1HG1 ILE 46 1HG1 ILE 46 8.647 13.509 -4.811
327 2HG1 ILE 46 2HG1 ILE 46 9.104 11.930 -4.167
328 1HG2 ILE 46 3HG2 ILE 46 6.228 10.721 -3.598
329 2HG2 ILE 46 1HG2 ILE 46 7.753 10.690 -2.687
330 3HG2 ILE 46 2HG2 ILE 46 6.305 11.356 -1.948
331 1HD1 ILE 46 2HD1 ILE 46 7.327 10.873 -5.613
332 2HD1 ILE 46 3HD1 ILE 46 7.082 12.466 -6.367
333 3HD1 ILE 46 1HD1 ILE 46 8.645 11.660 -6.490
334 H CYS 47 H CYS 47 3.987 11.840 -3.837
335 HA CYS 47 HA CYS 47 3.102 12.647 -1.162
336 1HB CYS 47 1HB CYS 47 2.034 14.126 -2.848
337 2HB CYS 47 2HB CYS 47 1.277 12.706 -3.554
338 H TYR 48 H TYR 48 1.998 11.145 -0.041
339 HA TYR 48 HA TYR 48 2.587 8.388 -0.966
340 1HB TYR 48 1HB TYR 48 2.222 9.654 1.772
341 2HB TYR 48 2HB TYR 48 2.559 7.960 1.464
342 HD1 TYR 48 HD1 TYR 48 4.026 11.377 0.756
343 HD2 TYR 48 HD2 TYR 48 4.757 7.209 1.606
344 HE1 TYR 48 HE1 TYR 48 6.439 11.808 0.754
345 HE2 TYR 48 HE2 TYR 48 7.183 7.671 1.690
346 HH TYR 48 HH TYR 48 8.547 10.911 1.062
347 H PHE 49 H PHE 49 0.716 7.660 -2.066
348 HA PHE 49 HA PHE 49 -1.879 8.071 -0.725
349 1HB PHE 49 1HB PHE 49 -1.781 6.392 -3.136
350 2HB PHE 49 2HB PHE 49 -2.936 7.576 -2.615
351 HD1 PHE 49 HD2 PHE 49 -0.796 9.960 -2.431
352 HD2 PHE 49 HD1 PHE 49 -2.040 7.109 -5.421
353 HE1 PHE 49 HE2 PHE 49 -0.458 11.641 -4.192
354 HE2 PHE 49 HE1 PHE 49 -1.647 8.795 -7.172
355 HZ PHE 49 HZ PHE 49 -0.633 11.002 -6.576
356 HA PRO 50 HA PRO 50 -1.474 3.902 1.033
357 1HB PRO 50 1HB PRO 50 -3.970 3.490 1.951
358 2HB PRO 50 2HB PRO 50 -2.895 4.746 2.633
359 1HG PRO 50 1HG PRO 50 -5.049 5.130 0.519
360 2HG PRO 50 2HG PRO 50 -4.857 6.045 2.040
361 1HD PRO 50 1HD PRO 50 -3.814 6.950 -0.347
362 2HD PRO 50 2HD PRO 50 -2.909 7.164 1.199
363 H CYS 51 H CYS 51 -1.035 3.296 -1.186
364 HA CYS 51 HA CYS 51 -3.095 2.334 -2.975
365 1HB CYS 51 1HB CYS 51 -1.209 1.766 -4.421
366 2HB CYS 51 2HB CYS 51 -0.996 3.322 -3.672
No H/Q in entry = 366
Start of MODEL 2
1 HA PCA 1 HA PYR 1 4.406 2.733 5.666
2 1HB PCA 1 1HB PYR 1 4.331 -0.270 5.934
3 2HB PCA 1 2HB PYR 1 5.580 0.871 6.506
4 1HG PCA 1 1HG PYR 1 3.603 -0.255 8.149
5 2HG PCA 1 2HG PYR 1 4.331 1.351 8.464
6 HN PCA 1 HN PYR 1 1.788 2.552 5.826
7 H LYS 2 H LYS 2 2.191 0.131 4.602
8 HA LYS 2 HA LYS 2 3.315 0.072 1.905
9 1HB LYS 2 1HB LYS 2 2.304 -1.873 3.179
10 2HB LYS 2 2HB LYS 2 0.709 -1.226 2.826
11 1HG LYS 2 1HG LYS 2 2.844 -1.853 0.721
12 2HG LYS 2 2HG LYS 2 1.724 -3.063 1.314
13 1HD LYS 2 1HD LYS 2 0.914 -0.562 -0.258
14 2HD LYS 2 2HD LYS 2 1.099 -2.195 -0.861
15 1HE LYS 2 1HE LYS 2 -1.112 -2.400 -0.517
16 2HE LYS 2 2HE LYS 2 -0.635 -2.757 1.146
17 1HZ LYS 2 1HZ LYS 2 -0.927 -0.262 1.484
18 2HZ LYS 2 2HZ LYS 2 -1.646 -0.208 0.034
19 3HZ LYS 2 3HZ LYS 2 -2.311 -1.118 1.210
20 H LEU 3 H LEU 3 3.071 2.488 1.770
21 HA LEU 3 HA LEU 3 0.404 3.172 0.584
22 1HB LEU 3 1HB LEU 3 2.596 5.050 1.459
23 2HB LEU 3 2HB LEU 3 1.060 5.514 0.764
24 HG LEU 3 HG LEU 3 0.310 3.904 2.945
25 1HD1 LEU 3 3HD1 LEU 3 2.649 4.004 3.773
26 2HD1 LEU 3 1HD1 LEU 3 2.604 5.766 3.723
27 3HD1 LEU 3 2HD1 LEU 3 1.561 4.884 4.861
28 1HD2 LEU 3 1HD2 LEU 3 -0.812 5.980 2.185
29 2HD2 LEU 3 2HD2 LEU 3 -0.513 5.985 3.931
30 3HD2 LEU 3 3HD2 LEU 3 0.514 6.943 2.854
31 H CYS 4 H CYS 4 0.486 4.111 -1.521
32 HA CYS 4 HA CYS 4 2.994 3.471 -3.047
33 1HB CYS 4 1HB CYS 4 0.245 4.143 -4.096
34 2HB CYS 4 2HB CYS 4 1.704 3.992 -5.068
35 H GLU 5 H GLU 5 4.372 5.027 -3.382
36 HA GLU 5 HA GLU 5 3.861 7.854 -2.809
37 1HB GLU 5 1HB GLU 5 6.253 6.254 -3.838
38 2HB GLU 5 2HB GLU 5 6.262 8.007 -3.636
39 1HG GLU 5 1HG GLU 5 5.701 7.767 -1.261
40 2HG GLU 5 2HG GLU 5 5.733 6.000 -1.396
41 HE1 GLU 5 HE2 GLU 5 9.298 6.014 -1.921
42 H ARG 6 H ARG 6 2.462 8.715 -4.355
43 HA ARG 6 HA ARG 6 2.965 8.139 -7.220
44 1HB ARG 6 1HB ARG 6 0.631 8.480 -5.923
45 2HB ARG 6 2HB ARG 6 0.899 10.154 -6.486
46 1HG ARG 6 1HG ARG 6 1.041 9.375 -8.785
47 2HG ARG 6 2HG ARG 6 0.981 7.684 -8.225
48 1HD ARG 6 1HD ARG 6 -1.175 7.990 -8.935
49 2HD ARG 6 2HD ARG 6 -1.281 8.257 -7.184
50 HE ARG 6 HE ARG 6 -0.845 10.634 -8.913
51 1HH1 ARG 6 2HH2 ARG 6 -3.286 8.620 -7.315
52 2HH1 ARG 6 1HH2 ARG 6 -4.516 9.848 -7.347
53 1HH2 ARG 6 1HH1 ARG 6 -2.505 12.253 -8.974
54 2HH2 ARG 6 2HH1 ARG 6 -3.856 12.064 -7.899
55 HA PRO 7 HA PRO 7 5.420 12.008 -6.935
56 1HB PRO 7 1HB PRO 7 6.573 11.945 -9.416
57 2HB PRO 7 2HB PRO 7 7.151 10.963 -8.042
58 1HG PRO 7 1HG PRO 7 5.458 10.063 -10.364
59 2HG PRO 7 2HG PRO 7 6.781 9.206 -9.546
60 1HD PRO 7 1HD PRO 7 4.085 8.772 -9.034
61 2HD PRO 7 2HD PRO 7 5.391 8.446 -7.857
62 H SER 8 H SER 8 3.796 11.080 -10.063
63 HA SER 8 HA SER 8 2.730 13.736 -10.438
64 1HB SER 8 1HB SER 8 1.761 11.120 -11.667
65 2HB SER 8 2HB SER 8 1.613 12.761 -12.321
66 HG SER 8 HG SER 8 3.979 12.753 -12.354
67 H GLY 9 H GLY 9 1.915 13.980 -8.236
68 1HA GLY 9 1HA GLY 9 -0.491 12.528 -7.407
69 2HA GLY 9 2HA GLY 9 0.191 13.990 -6.677
70 H THR 10 H THR 10 -0.564 15.964 -7.287
71 HA THR 10 HA THR 10 -2.478 16.291 -9.565
72 HB THR 10 HB THR 10 -2.825 18.495 -8.159
73 HG1 THR 10 HG1 THR 10 -2.292 18.271 -6.024
74 1HG2 THR 10 1HG2 THR 10 -3.781 15.794 -7.126
75 2HG2 THR 10 2HG2 THR 10 -4.474 17.365 -6.667
76 3HG2 THR 10 3HG2 THR 10 -4.576 16.801 -8.346
77 H TRP 11 H TRP 11 -0.295 18.160 -7.601
78 HA TRP 11 HA TRP 11 0.930 19.781 -9.592
79 1HB TRP 11 1HB TRP 11 0.631 20.240 -7.192
80 2HB TRP 11 2HB TRP 11 1.813 18.996 -6.789
81 HD1 TRP 11 HD1 TRP 11 3.716 20.484 -9.362
82 HE1 TRP 11 HE1 TRP 11 5.224 22.375 -8.477
83 HE3 TRP 11 HE3 TRP 11 1.329 21.454 -4.960
84 HZ2 TRP 11 HZ2 TRP 11 5.284 24.161 -6.232
85 HZ3 TRP 11 HZ3 TRP 11 2.183 23.165 -3.413
86 HH2 TRP 11 HH2 TRP 11 4.259 24.390 -3.958
87 H SER 12 H SER 12 1.304 17.914 -11.073
88 HA SER 12 HA SER 12 3.493 16.076 -10.487
89 1HB SER 12 1HB SER 12 1.939 16.585 -13.067
90 2HB SER 12 2HB SER 12 2.907 15.160 -12.670
91 HG SER 12 HG SER 12 0.524 16.065 -11.361
92 H GLY 13 H GLY 13 4.836 18.185 -10.066
93 1HA GLY 13 1HA GLY 13 6.608 18.682 -12.339
94 2HA GLY 13 2HA GLY 13 5.571 20.059 -11.910
95 H VAL 14 H VAL 14 7.764 21.029 -11.499
96 HA VAL 14 HA VAL 14 9.441 20.160 -9.392
97 HB VAL 14 HB VAL 14 9.004 23.001 -10.375
98 1HG1 VAL 14 2HG1 VAL 14 11.357 21.713 -8.924
99 2HG1 VAL 14 3HG1 VAL 14 11.334 23.359 -9.588
100 3HG1 VAL 14 1HG1 VAL 14 10.254 22.936 -8.257
101 1HG2 VAL 14 2HG2 VAL 14 10.952 20.845 -11.329
102 2HG2 VAL 14 3HG2 VAL 14 9.624 21.544 -12.279
103 3HG2 VAL 14 1HG2 VAL 14 11.001 22.548 -11.824
104 H CYS 15 H CYS 15 9.239 20.339 -7.248
105 HA CYS 15 HA CYS 15 6.601 20.774 -6.217
106 1HB CYS 15 1HB CYS 15 7.338 19.729 -4.310
107 2HB CYS 15 2HB CYS 15 8.510 19.132 -5.487
108 H GLY 16 H GLY 16 9.497 22.809 -6.154
109 1HA GLY 16 1HA GLY 16 9.808 24.949 -5.376
110 2HA GLY 16 2HA GLY 16 8.079 25.064 -5.042
111 H ASN 17 H ASN 17 7.847 22.917 -3.113
112 HA ASN 17 HA ASN 17 9.533 23.426 -0.843
113 1HB ASN 17 1HB ASN 17 8.522 25.656 -0.894
114 2HB ASN 17 2HB ASN 17 6.910 24.955 -1.085
115 1HD2 ASN 17 2HD2 ASN 17 8.693 25.018 2.627
116 2HD2 ASN 17 1HD2 ASN 17 9.638 25.356 1.189
117 H ASN 18 H ASN 18 9.164 21.901 0.677
118 HA ASN 18 HA ASN 18 7.637 19.646 0.303
119 1HB ASN 18 1HB ASN 18 9.598 20.023 1.845
120 2HB ASN 18 2HB ASN 18 8.548 20.876 2.955
121 1HD2 ASN 18 2HD2 ASN 18 8.556 16.851 2.951
122 2HD2 ASN 18 1HD2 ASN 18 9.586 17.709 1.831
123 H ASN 19 H ASN 19 6.943 22.120 2.684
124 HA ASN 19 HA ASN 19 4.497 21.077 3.583
125 1HB ASN 19 1HB ASN 19 5.713 22.780 4.829
126 2HB ASN 19 2HB ASN 19 5.381 23.987 3.576
127 1HD2 ASN 19 2HD2 ASN 19 2.233 24.787 4.962
128 2HD2 ASN 19 1HD2 ASN 19 3.563 25.260 3.922
129 H ALA 20 H ALA 20 5.065 23.509 0.994
130 HA ALA 20 HA ALA 20 2.329 23.963 0.360
131 1HB ALA 20 1HB ALA 20 4.196 25.325 -0.549
132 2HB ALA 20 2HB ALA 20 4.693 23.947 -1.565
133 3HB ALA 20 3HB ALA 20 3.110 24.712 -1.811
134 H CYS 21 H CYS 21 4.678 21.705 -1.202
135 HA CYS 21 HA CYS 21 2.964 20.445 -2.962
136 1HB CYS 21 1HB CYS 21 5.160 19.787 -3.233
137 2HB CYS 21 2HB CYS 21 5.448 19.636 -1.501
138 H LYS 22 H LYS 22 3.749 19.453 0.358
139 HA LYS 22 HA LYS 22 2.118 17.229 0.754
140 1HB LYS 22 1HB LYS 22 3.864 17.966 2.257
141 2HB LYS 22 2HB LYS 22 3.049 19.475 2.590
142 1HG LYS 22 1HG LYS 22 1.207 18.333 3.724
143 2HG LYS 22 2HG LYS 22 1.992 16.777 3.527
144 1HD LYS 22 1HD LYS 22 3.296 19.183 4.934
145 2HD LYS 22 2HD LYS 22 2.188 18.101 5.758
146 1HE LYS 22 1HE LYS 22 4.462 17.480 6.306
147 2HE LYS 22 2HE LYS 22 3.642 16.177 5.433
148 1HZ LYS 22 2HZ LYS 22 5.616 18.043 4.225
149 2HZ LYS 22 3HZ LYS 22 5.869 16.462 4.587
150 3HZ LYS 22 1HZ LYS 22 4.786 16.827 3.471
151 H ASN 23 H ASN 23 1.365 20.590 1.753
152 HA ASN 23 HA ASN 23 -1.253 20.132 2.636
153 1HB ASN 23 1HB ASN 23 0.019 22.166 3.110
154 2HB ASN 23 2HB ASN 23 0.000 22.642 1.412
155 1HD2 ASN 23 2HD2 ASN 23 -2.668 24.441 3.453
156 2HD2 ASN 23 1HD2 ASN 23 -0.969 24.129 3.760
157 H GLN 24 H GLN 24 -0.232 21.556 -0.501
158 HA GLN 24 HA GLN 24 -2.745 21.623 -1.755
159 1HB GLN 24 1HB GLN 24 -0.752 22.755 -2.553
160 2HB GLN 24 2HB GLN 24 0.083 21.238 -2.843
161 1HG GLN 24 1HG GLN 24 -2.464 22.140 -4.277
162 2HG GLN 24 2HG GLN 24 -0.837 22.424 -4.892
163 1HE2 GLN 24 2HE2 GLN 24 -0.414 18.663 -5.215
164 2HE2 GLN 24 1HE2 GLN 24 0.358 19.849 -4.172
165 H CYS 25 H CYS 25 -0.418 18.830 -1.740
166 HA CYS 25 HA CYS 25 -2.028 17.226 -3.410
167 1HB CYS 25 1HB CYS 25 0.200 16.452 -2.773
168 2HB CYS 25 2HB CYS 25 -0.287 16.323 -1.083
169 H ILE 26 H ILE 26 -1.977 17.213 0.214
170 HA ILE 26 HA ILE 26 -4.159 15.279 0.212
171 HB ILE 26 HB ILE 26 -3.924 15.227 2.562
172 1HG1 ILE 26 1HG1 ILE 26 -2.345 17.825 2.369
173 2HG1 ILE 26 2HG1 ILE 26 -3.926 17.589 3.128
174 1HG2 ILE 26 1HG2 ILE 26 -2.098 14.265 1.107
175 2HG2 ILE 26 2HG2 ILE 26 -1.128 15.711 1.436
176 3HG2 ILE 26 3HG2 ILE 26 -1.589 14.643 2.755
177 1HD1 ILE 26 2HD1 ILE 26 -2.855 15.997 4.752
178 2HD1 ILE 26 3HD1 ILE 26 -1.270 16.466 4.085
179 3HD1 ILE 26 1HD1 ILE 26 -2.295 17.679 4.866
180 H ASN 27 H ASN 27 -3.990 18.693 0.093
181 HA ASN 27 HA ASN 27 -6.580 19.280 1.273
182 1HB ASN 27 1HB ASN 27 -4.652 20.751 1.316
183 2HB ASN 27 2HB ASN 27 -4.669 20.908 -0.458
184 1HD2 ASN 27 2HD2 ASN 27 -6.247 23.882 1.152
185 2HD2 ASN 27 1HD2 ASN 27 -4.692 23.052 1.308
186 H LEU 28 H LEU 28 -5.205 19.313 -2.090
187 HA LEU 28 HA LEU 28 -7.845 19.485 -3.284
188 1HB LEU 28 1HB LEU 28 -5.024 19.212 -4.337
189 2HB LEU 28 2HB LEU 28 -6.393 18.806 -5.367
190 HG LEU 28 HG LEU 28 -7.409 21.034 -4.946
191 1HD1 LEU 28 3HD1 LEU 28 -4.759 21.600 -3.544
192 2HD1 LEU 28 1HD1 LEU 28 -5.913 22.843 -4.066
193 3HD1 LEU 28 2HD1 LEU 28 -6.381 21.679 -2.822
194 1HD2 LEU 28 3HD2 LEU 28 -6.048 20.551 -6.955
195 2HD2 LEU 28 1HD2 LEU 28 -5.916 22.243 -6.448
196 3HD2 LEU 28 2HD2 LEU 28 -4.599 21.110 -6.100
197 H GLU 29 H GLU 29 -5.406 16.760 -3.366
198 HA GLU 29 HA GLU 29 -7.739 14.969 -3.961
199 1HB GLU 29 1HB GLU 29 -6.171 13.269 -4.616
200 2HB GLU 29 2HB GLU 29 -6.045 14.729 -5.593
201 1HG GLU 29 1HG GLU 29 -4.000 15.389 -4.359
202 2HG GLU 29 2HG GLU 29 -4.077 13.868 -3.432
203 HE2 GLU 29 HE2 GLU 29 -1.960 14.592 -4.953
204 H LYS 30 H LYS 30 -7.203 12.679 -2.727
205 HA LYS 30 HA LYS 30 -7.220 13.571 0.119
206 1HB LYS 30 1HB LYS 30 -8.866 11.492 -1.314
207 2HB LYS 30 2HB LYS 30 -8.857 11.694 0.447
208 1HG LYS 30 1HG LYS 30 -9.485 13.976 -1.487
209 2HG LYS 30 2HG LYS 30 -10.702 12.933 -0.784
210 1HD LYS 30 1HD LYS 30 -10.684 13.925 1.206
211 2HD LYS 30 2HD LYS 30 -8.946 14.050 1.332
212 1HE LYS 30 1HE LYS 30 -10.649 15.912 -0.398
213 2HE LYS 30 2HE LYS 30 -10.254 16.240 1.292
214 1HZ LYS 30 1HZ LYS 30 -8.212 15.952 -0.828
215 2HZ LYS 30 2HZ LYS 30 -8.770 17.359 -0.244
216 3HZ LYS 30 3HZ LYS 30 -7.908 16.349 0.707
217 H ALA 31 H ALA 31 -4.932 12.444 -1.540
218 HA ALA 31 HA ALA 31 -3.867 10.119 -0.365
219 1HB ALA 31 2HB ALA 31 -2.781 11.575 -2.134
220 2HB ALA 31 3HB ALA 31 -2.561 12.798 -0.868
221 3HB ALA 31 1HB ALA 31 -1.699 11.247 -0.763
222 H ARG 32 H ARG 32 -2.292 10.020 1.526
223 HA ARG 32 HA ARG 32 -3.660 11.417 3.786
224 1HB ARG 32 1HB ARG 32 -1.861 8.987 3.774
225 2HB ARG 32 2HB ARG 32 -2.695 9.660 5.182
226 1HG ARG 32 1HG ARG 32 -4.068 8.538 2.681
227 2HG ARG 32 2HG ARG 32 -3.827 7.692 4.204
228 1HD ARG 32 1HD ARG 32 -6.078 8.420 4.223
229 2HD ARG 32 2HD ARG 32 -5.185 9.427 5.371
230 HE ARG 32 HE ARG 32 -5.723 10.393 2.559
231 1HH1 ARG 32 2HH1 ARG 32 -6.853 10.634 5.868
232 2HH1 ARG 32 1HH1 ARG 32 -7.125 12.350 5.817
233 1HH2 ARG 32 2HH2 ARG 32 -5.750 12.645 2.542
234 2HH2 ARG 32 1HH2 ARG 32 -6.580 13.535 3.796
235 H HIS 33 H HIS 33 -0.251 10.659 3.012
236 HA HIS 33 HA HIS 33 0.379 13.336 4.168
237 1HB HIS 33 2HB HIS 33 2.740 12.412 4.493
238 2HB HIS 33 1HB HIS 33 1.494 12.091 5.691
239 HD1 HIS 33 HD1 HIS 33 0.283 9.656 5.511
240 HD2 HIS 33 HD2 HIS 33 4.116 10.097 3.883
241 HE1 HIS 33 HE1 HIS 33 1.290 7.340 5.332
242 H GLY 34 H GLY 34 2.188 14.378 3.091
243 1HA GLY 34 1HA GLY 34 2.976 13.459 0.480
244 2HA GLY 34 2HA GLY 34 2.020 14.957 0.450
245 H SER 35 H SER 35 4.817 14.794 -0.293
246 HA SER 35 HA SER 35 6.010 16.793 1.416
247 1HB SER 35 1HB SER 35 6.917 13.879 1.639
248 2HB SER 35 2HB SER 35 8.048 15.195 1.892
249 HG SER 35 HG SER 35 5.634 14.702 3.290
250 H CYS 36 H CYS 36 7.819 17.655 0.425
251 HA CYS 36 HA CYS 36 8.229 16.891 -2.403
252 1HB CYS 36 1HB CYS 36 8.130 19.271 -1.895
253 2HB CYS 36 2HB CYS 36 9.511 19.104 -0.771
254 H ASN 37 H ASN 37 9.987 15.816 -3.088
255 HA ASN 37 HA ASN 37 12.121 15.013 -1.144
256 1HB ASN 37 1HB ASN 37 10.615 13.154 -1.859
257 2HB ASN 37 2HB ASN 37 10.990 13.518 -3.554
258 1HD2 ASN 37 2HD2 ASN 37 14.141 11.873 -3.453
259 2HD2 ASN 37 1HD2 ASN 37 13.231 13.073 -4.354
260 H TYR 38 H TYR 38 14.262 14.981 -2.129
261 HA TYR 38 HA TYR 38 14.509 16.718 -4.506
262 1HB TYR 38 1HB TYR 38 15.999 17.228 -2.653
263 2HB TYR 38 2HB TYR 38 16.701 15.614 -2.740
264 HD1 TYR 38 HD1 TYR 38 15.840 18.350 -5.259
265 HD2 TYR 38 HD2 TYR 38 18.895 15.725 -3.713
266 HE1 TYR 38 HE1 TYR 38 17.120 18.607 -7.342
267 HE2 TYR 38 HE2 TYR 38 20.142 15.948 -5.844
268 HH TYR 38 HH TYR 38 18.750 17.654 -8.667
269 H VAL 39 H VAL 39 17.037 14.567 -4.576
270 HA VAL 39 HA VAL 39 17.722 13.036 -6.033
271 HB VAL 39 HB VAL 39 14.791 12.178 -6.196
272 1HG1 VAL 39 1HG1 VAL 39 17.226 10.842 -7.399
273 2HG1 VAL 39 2HG1 VAL 39 15.630 10.097 -7.182
274 3HG1 VAL 39 3HG1 VAL 39 15.803 11.476 -8.267
275 1HG2 VAL 39 3HG2 VAL 39 16.050 11.887 -3.991
276 2HG2 VAL 39 1HG2 VAL 39 15.497 10.382 -4.748
277 3HG2 VAL 39 2HG2 VAL 39 17.200 10.871 -4.870
278 H PHE 40 H PHE 40 18.016 12.806 -8.347
279 HA PHE 40 HA PHE 40 17.921 15.197 -9.713
280 1HB PHE 40 1HB PHE 40 19.397 13.448 -10.353
281 2HB PHE 40 2HB PHE 40 18.072 12.325 -10.673
282 HD1 PHE 40 HD2 PHE 40 16.696 12.517 -12.739
283 HD2 PHE 40 HD1 PHE 40 20.216 14.932 -12.069
284 HE1 PHE 40 HE2 PHE 40 16.751 13.117 -15.140
285 HE2 PHE 40 HE1 PHE 40 20.268 15.508 -14.476
286 HZ PHE 40 HZ PHE 40 18.532 14.616 -16.013
287 HA PRO 41 HA PRO 41 17.711 16.174 -11.641
288 1HB PRO 41 1HB PRO 41 16.389 18.042 -13.102
289 2HB PRO 41 2HB PRO 41 16.775 16.420 -13.734
290 1HG PRO 41 1HG PRO 41 14.122 17.408 -12.696
291 2HG PRO 41 2HG PRO 41 14.457 16.365 -14.095
292 1HD PRO 41 1HD PRO 41 13.695 15.409 -11.572
293 2HD PRO 41 2HD PRO 41 14.606 14.460 -12.774
294 H ALA 42 H ALA 42 14.490 17.445 -10.716
295 HA ALA 42 HA ALA 42 15.742 19.487 -8.934
296 1HB ALA 42 2HB ALA 42 14.703 20.400 -10.985
297 2HB ALA 42 3HB ALA 42 13.166 19.625 -10.544
298 3HB ALA 42 1HB ALA 42 13.843 20.911 -9.524
299 H HIS 43 H HIS 43 13.973 20.312 -7.377
300 HA HIS 43 HA HIS 43 13.212 18.225 -5.577
301 1HB HIS 43 2HB HIS 43 12.366 21.143 -5.759
302 2HB HIS 43 1HB HIS 43 12.107 20.123 -4.370
303 HD1 HIS 43 HD1 HIS 43 14.029 19.539 -2.788
304 HD2 HIS 43 HD2 HIS 43 15.177 21.900 -6.059
305 HE1 HIS 43 HE1 HIS 43 16.402 20.332 -2.353
306 H LYS 44 H LYS 44 11.377 17.035 -5.542
307 HA LYS 44 HA LYS 44 9.214 17.635 -7.521
308 1HB LYS 44 1HB LYS 44 9.199 15.313 -8.185
309 2HB LYS 44 2HB LYS 44 10.787 16.041 -8.467
310 1HG LYS 44 1HG LYS 44 11.565 14.971 -6.276
311 2HG LYS 44 2HG LYS 44 9.992 14.195 -6.159
312 1HD LYS 44 1HD LYS 44 11.609 12.638 -7.045
313 2HD LYS 44 2HD LYS 44 10.338 12.958 -8.225
314 1HE LYS 44 1HE LYS 44 12.694 12.823 -9.143
315 2HE LYS 44 2HE LYS 44 11.809 14.277 -9.609
316 1HZ LYS 44 3HZ LYS 44 13.625 14.286 -7.283
317 2HZ LYS 44 1HZ LYS 44 14.189 14.512 -8.780
318 3HZ LYS 44 2HZ LYS 44 13.108 15.566 -8.149
319 H CYS 45 H CYS 45 7.154 17.159 -6.889
320 HA CYS 45 HA CYS 45 6.726 16.835 -4.037
321 1HB CYS 45 1HB CYS 45 5.381 18.374 -5.421
322 2HB CYS 45 2HB CYS 45 4.760 17.004 -6.350
323 H ILE 46 H ILE 46 6.445 14.873 -2.996
324 HA ILE 46 HA ILE 46 5.547 12.503 -4.592
325 HB ILE 46 HB ILE 46 7.117 12.649 -1.981
326 1HG1 ILE 46 1HG1 ILE 46 8.652 13.076 -3.805
327 2HG1 ILE 46 2HG1 ILE 46 8.905 11.457 -3.164
328 1HG2 ILE 46 1HG2 ILE 46 5.951 10.273 -3.465
329 2HG2 ILE 46 2HG2 ILE 46 7.180 10.139 -2.185
330 3HG2 ILE 46 3HG2 ILE 46 5.594 10.802 -1.821
331 1HD1 ILE 46 3HD1 ILE 46 7.581 10.537 -5.111
332 2HD1 ILE 46 1HD1 ILE 46 7.501 12.194 -5.762
333 3HD1 ILE 46 2HD1 ILE 46 9.063 11.393 -5.567
334 H CYS 47 H CYS 47 3.583 11.604 -3.938
335 HA CYS 47 HA CYS 47 2.613 12.461 -1.279
336 1HB CYS 47 1HB CYS 47 1.644 13.876 -3.170
337 2HB CYS 47 2HB CYS 47 0.702 12.439 -3.598
338 H TYR 48 H TYR 48 1.339 11.047 -0.123
339 HA TYR 48 HA TYR 48 1.873 8.237 -0.936
340 1HB TYR 48 1HB TYR 48 1.590 9.503 1.801
341 2HB TYR 48 2HB TYR 48 1.940 7.815 1.447
342 HD1 TYR 48 HD1 TYR 48 3.336 11.269 0.937
343 HD2 TYR 48 HD2 TYR 48 4.153 7.073 1.455
344 HE1 TYR 48 HE1 TYR 48 5.762 11.731 0.809
345 HE2 TYR 48 HE2 TYR 48 6.576 7.554 1.440
346 HH TYR 48 HH TYR 48 8.087 9.133 0.446
347 H PHE 49 H PHE 49 0.153 7.035 -1.460
348 HA PHE 49 HA PHE 49 -2.526 7.676 -0.327
349 1HB PHE 49 1HB PHE 49 -1.857 6.247 -2.907
350 2HB PHE 49 2HB PHE 49 -3.414 6.773 -2.391
351 HD1 PHE 49 HD1 PHE 49 -0.028 8.253 -3.222
352 HD2 PHE 49 HD2 PHE 49 -4.325 8.732 -3.348
353 HE1 PHE 49 HE1 PHE 49 0.230 10.360 -4.419
354 HE2 PHE 49 HE2 PHE 49 -4.034 10.648 -4.880
355 HZ PHE 49 HZ PHE 49 -1.699 11.316 -5.605
356 HA PRO 50 HA PRO 50 -2.263 3.799 1.731
357 1HB PRO 50 1HB PRO 50 -4.861 2.868 1.724
358 2HB PRO 50 2HB PRO 50 -4.309 4.273 2.677
359 1HG PRO 50 1HG PRO 50 -5.629 4.307 -0.053
360 2HG PRO 50 2HG PRO 50 -6.073 5.266 1.389
361 1HD PRO 50 1HD PRO 50 -4.482 6.311 -0.566
362 2HD PRO 50 2HD PRO 50 -4.131 6.644 1.165
363 H CYS 51 H CYS 51 -3.508 3.815 -1.479
364 HA CYS 51 HA CYS 51 -3.596 2.276 -3.191
365 1HB CYS 51 1HB CYS 51 -1.373 3.311 -2.809
366 2HB CYS 51 2HB CYS 51 -0.852 1.847 -1.993
No H/Q in entry = 366
Start of MODEL 3
1 HA PCA 1 HA PYR 1 -3.562 -0.605 3.323
2 1HB PCA 1 1HB PYR 1 -2.588 -1.287 5.877
3 2HB PCA 1 2HB PYR 1 -3.913 -2.108 5.011
4 1HG PCA 1 1HG PYR 1 -1.082 -3.037 5.320
5 2HG PCA 1 2HG PYR 1 -2.574 -3.986 5.064
6 HN PCA 1 HN PYR 1 -2.059 -1.800 1.727
7 H LYS 2 H LYS 2 -0.288 -1.173 4.660
8 HA LYS 2 HA LYS 2 0.423 1.408 5.384
9 1HB LYS 2 1HB LYS 2 2.731 0.623 5.294
10 2HB LYS 2 2HB LYS 2 1.680 -0.664 5.880
11 1HG LYS 2 1HG LYS 2 2.766 -1.938 4.354
12 2HG LYS 2 2HG LYS 2 1.608 -1.252 3.225
13 1HD LYS 2 1HD LYS 2 3.583 0.674 3.089
14 2HD LYS 2 2HD LYS 2 4.543 -0.697 3.634
15 1HE LYS 2 1HE LYS 2 4.658 -0.795 1.262
16 2HE LYS 2 2HE LYS 2 3.474 -2.039 1.696
17 1HZ LYS 2 2HZ LYS 2 1.781 -0.184 1.287
18 2HZ LYS 2 3HZ LYS 2 2.990 0.662 0.627
19 3HZ LYS 2 1HZ LYS 2 2.556 -0.764 -0.060
20 H LEU 3 H LEU 3 1.597 3.115 4.329
21 HA LEU 3 HA LEU 3 0.379 3.831 2.020
22 1HB LEU 3 1HB LEU 3 3.051 4.825 2.983
23 2HB LEU 3 2HB LEU 3 2.073 5.646 1.790
24 HG LEU 3 HG LEU 3 1.040 5.163 4.614
25 1HD1 LEU 3 3HD1 LEU 3 2.502 7.597 3.480
26 2HD1 LEU 3 1HD1 LEU 3 1.736 7.496 5.078
27 3HD1 LEU 3 2HD1 LEU 3 3.142 6.486 4.703
28 1HD2 LEU 3 3HD2 LEU 3 0.226 7.095 2.405
29 2HD2 LEU 3 1HD2 LEU 3 -0.689 5.676 2.962
30 3HD2 LEU 3 2HD2 LEU 3 -0.444 7.048 4.047
31 H CYS 4 H CYS 4 0.946 4.277 -0.097
32 HA CYS 4 HA CYS 4 3.394 3.074 -1.270
33 1HB CYS 4 1HB CYS 4 0.538 2.673 -2.193
34 2HB CYS 4 2HB CYS 4 1.827 2.839 -3.379
35 H GLU 5 H GLU 5 4.304 4.434 -2.719
36 HA GLU 5 HA GLU 5 3.444 7.228 -2.479
37 1HB GLU 5 1HB GLU 5 5.685 7.806 -2.772
38 2HB GLU 5 2HB GLU 5 5.707 6.360 -1.763
39 1HG GLU 5 1HG GLU 5 6.455 6.609 -4.701
40 2HG GLU 5 2HG GLU 5 7.488 6.169 -3.346
41 HE2 GLU 5 HE2 GLU 5 5.365 4.800 -5.704
42 H ARG 6 H ARG 6 3.247 8.667 -4.157
43 HA ARG 6 HA ARG 6 3.605 7.770 -6.976
44 1HB ARG 6 1HB ARG 6 1.295 9.395 -5.874
45 2HB ARG 6 2HB ARG 6 1.721 9.392 -7.530
46 1HG ARG 6 1HG ARG 6 1.455 6.939 -7.701
47 2HG ARG 6 2HG ARG 6 1.076 6.833 -5.979
48 1HD ARG 6 1HD ARG 6 -0.914 6.731 -7.532
49 2HD ARG 6 2HD ARG 6 -0.988 7.917 -6.234
50 HE ARG 6 HE ARG 6 -0.078 8.652 -9.000
51 1HH1 ARG 6 1HH1 ARG 6 -2.577 9.081 -6.541
52 2HH1 ARG 6 2HH1 ARG 6 -2.781 10.778 -6.858
53 1HH2 ARG 6 2HH2 ARG 6 -0.361 10.902 -9.412
54 2HH2 ARG 6 1HH2 ARG 6 -1.663 11.767 -8.697
55 HA PRO 7 HA PRO 7 6.322 11.387 -6.267
56 1HB PRO 7 1HB PRO 7 6.900 10.735 -9.164
57 2HB PRO 7 2HB PRO 7 8.029 11.203 -7.865
58 1HG PRO 7 1HG PRO 7 7.814 8.600 -8.610
59 2HG PRO 7 2HG PRO 7 7.892 9.030 -6.875
60 1HD PRO 7 1HD PRO 7 5.423 8.402 -8.521
61 2HD PRO 7 2HD PRO 7 5.893 7.790 -6.905
62 H SER 8 H SER 8 4.736 10.878 -9.526
63 HA SER 8 HA SER 8 3.749 13.626 -9.584
64 1HB SER 8 1HB SER 8 2.547 12.659 -11.607
65 2HB SER 8 2HB SER 8 4.315 12.544 -11.656
66 HG SER 8 HG SER 8 2.518 10.508 -10.833
67 H GLY 9 H GLY 9 2.792 13.441 -7.406
68 1HA GLY 9 1HA GLY 9 0.271 12.040 -6.989
69 2HA GLY 9 2HA GLY 9 0.863 13.458 -6.104
70 H THR 10 H THR 10 1.170 15.387 -7.562
71 HA THR 10 HA THR 10 -0.703 15.822 -9.797
72 HB THR 10 HB THR 10 -1.178 18.127 -8.784
73 HG1 THR 10 HG1 THR 10 -1.012 18.175 -6.453
74 1HG2 THR 10 1HG2 THR 10 -2.870 16.238 -8.699
75 2HG2 THR 10 2HG2 THR 10 -2.276 15.914 -7.042
76 3HG2 THR 10 3HG2 THR 10 -3.038 17.464 -7.427
77 H TRP 11 H TRP 11 1.291 17.649 -7.635
78 HA TRP 11 HA TRP 11 2.571 19.273 -9.491
79 1HB TRP 11 1HB TRP 11 1.974 19.617 -7.090
80 2HB TRP 11 2HB TRP 11 3.355 18.635 -6.626
81 HD1 TRP 11 HD1 TRP 11 5.074 20.383 -9.118
82 HE1 TRP 11 HE1 TRP 11 6.077 22.599 -8.292
83 HE3 TRP 11 HE3 TRP 11 2.191 21.073 -4.949
84 HZ2 TRP 11 HZ2 TRP 11 5.707 24.404 -6.085
85 HZ3 TRP 11 HZ3 TRP 11 2.660 22.951 -3.427
86 HH2 TRP 11 HH2 TRP 11 4.524 24.470 -3.866
87 H SER 12 H SER 12 3.414 17.673 -10.981
88 HA SER 12 HA SER 12 5.659 16.014 -10.188
89 1HB SER 12 1HB SER 12 4.524 16.618 -12.948
90 2HB SER 12 2HB SER 12 5.556 15.252 -12.493
91 HG SER 12 HG SER 12 2.940 15.802 -11.446
92 H GLY 13 H GLY 13 5.473 19.292 -11.107
93 1HA GLY 13 1HA GLY 13 8.054 19.537 -12.466
94 2HA GLY 13 2HA GLY 13 6.945 20.820 -11.979
95 H VAL 14 H VAL 14 8.852 21.981 -11.260
96 HA VAL 14 HA VAL 14 10.564 21.133 -9.139
97 HB VAL 14 HB VAL 14 9.630 23.915 -9.850
98 1HG1 VAL 14 1HG1 VAL 14 12.046 22.985 -8.263
99 2HG1 VAL 14 2HG1 VAL 14 11.789 24.649 -8.822
100 3HG1 VAL 14 3HG1 VAL 14 10.671 23.935 -7.660
101 1HG2 VAL 14 2HG2 VAL 14 10.772 22.759 -11.804
102 2HG2 VAL 14 3HG2 VAL 14 11.640 24.174 -11.200
103 3HG2 VAL 14 1HG2 VAL 14 12.204 22.557 -10.762
104 H CYS 15 H CYS 15 9.989 20.816 -7.084
105 HA CYS 15 HA CYS 15 7.264 21.130 -6.221
106 1HB CYS 15 1HB CYS 15 7.783 19.852 -4.413
107 2HB CYS 15 2HB CYS 15 9.098 19.397 -5.496
108 H GLY 16 H GLY 16 10.166 23.069 -5.668
109 1HA GLY 16 1HA GLY 16 10.411 25.160 -4.762
110 2HA GLY 16 2HA GLY 16 8.656 25.281 -4.611
111 H ASN 17 H ASN 17 8.240 23.027 -2.809
112 HA ASN 17 HA ASN 17 9.688 23.499 -0.357
113 1HB ASN 17 1HB ASN 17 8.634 25.710 -0.464
114 2HB ASN 17 2HB ASN 17 7.064 24.975 -0.812
115 1HD2 ASN 17 2HD2 ASN 17 8.528 24.963 3.042
116 2HD2 ASN 17 1HD2 ASN 17 9.600 25.310 1.699
117 H ASN 18 H ASN 18 9.269 21.897 1.032
118 HA ASN 18 HA ASN 18 7.818 19.628 0.573
119 1HB ASN 18 1HB ASN 18 9.603 20.068 2.289
120 2HB ASN 18 2HB ASN 18 8.443 20.919 3.282
121 1HD2 ASN 18 2HD2 ASN 18 8.520 16.899 3.367
122 2HD2 ASN 18 1HD2 ASN 18 9.692 17.799 2.426
123 H ASN 19 H ASN 19 6.854 22.142 2.855
124 HA ASN 19 HA ASN 19 4.373 21.020 3.562
125 1HB ASN 19 1HB ASN 19 5.394 22.781 4.902
126 2HB ASN 19 2HB ASN 19 5.106 23.976 3.626
127 1HD2 ASN 19 2HD2 ASN 19 1.627 24.332 4.378
128 2HD2 ASN 19 1HD2 ASN 19 2.904 24.743 3.250
129 H ALA 20 H ALA 20 5.032 23.558 1.088
130 HA ALA 20 HA ALA 20 2.334 23.880 0.242
131 1HB ALA 20 1HB ALA 20 4.182 25.382 -0.458
132 2HB ALA 20 2HB ALA 20 4.844 24.077 -1.475
133 3HB ALA 20 3HB ALA 20 3.243 24.764 -1.828
134 H CYS 21 H CYS 21 4.917 21.699 -1.051
135 HA CYS 21 HA CYS 21 3.431 20.402 -2.983
136 1HB CYS 21 1HB CYS 21 5.603 19.702 -3.059
137 2HB CYS 21 2HB CYS 21 5.790 19.705 -1.312
138 H LYS 22 H LYS 22 3.899 19.374 0.375
139 HA LYS 22 HA LYS 22 2.295 17.108 0.573
140 1HB LYS 22 1HB LYS 22 3.865 17.862 2.247
141 2HB LYS 22 2HB LYS 22 3.003 19.353 2.519
142 1HG LYS 22 1HG LYS 22 1.084 18.206 3.475
143 2HG LYS 22 2HG LYS 22 1.870 16.650 3.325
144 1HD LYS 22 1HD LYS 22 3.013 19.053 4.883
145 2HD LYS 22 2HD LYS 22 1.891 17.905 5.588
146 1HE LYS 22 1HE LYS 22 4.129 17.364 6.311
147 2HE LYS 22 2HE LYS 22 3.454 16.054 5.332
148 1HZ LYS 22 2HZ LYS 22 5.429 18.049 4.338
149 2HZ LYS 22 3HZ LYS 22 5.741 16.483 4.718
150 3HZ LYS 22 1HZ LYS 22 4.747 16.792 3.508
151 H ASN 23 H ASN 23 1.417 20.407 1.500
152 HA ASN 23 HA ASN 23 -1.268 20.043 2.104
153 1HB ASN 23 1HB ASN 23 -0.085 22.083 2.649
154 2HB ASN 23 2HB ASN 23 0.324 22.378 0.957
155 1HD2 ASN 23 1HD2 ASN 23 -2.132 24.894 1.514
156 2HD2 ASN 23 2HD2 ASN 23 -0.453 24.524 1.813
157 H GLN 24 H GLN 24 0.064 21.300 -1.031
158 HA GLN 24 HA GLN 24 -2.400 21.293 -2.385
159 1HB GLN 24 1HB GLN 24 0.437 21.012 -3.422
160 2HB GLN 24 2HB GLN 24 -1.003 21.131 -4.464
161 1HG GLN 24 1HG GLN 24 -1.646 23.261 -3.353
162 2HG GLN 24 2HG GLN 24 -0.205 23.170 -2.329
163 1HE2 GLN 24 2HE2 GLN 24 0.797 23.739 -6.258
164 2HE2 GLN 24 1HE2 GLN 24 -0.113 22.312 -5.798
165 H CYS 25 H CYS 25 -0.067 18.485 -2.142
166 HA CYS 25 HA CYS 25 -1.690 16.924 -3.883
167 1HB CYS 25 1HB CYS 25 0.607 16.207 -3.059
168 2HB CYS 25 2HB CYS 25 -0.184 15.683 -1.573
169 H ILE 26 H ILE 26 -1.750 17.006 -0.255
170 HA ILE 26 HA ILE 26 -3.944 15.086 -0.213
171 HB ILE 26 HB ILE 26 -3.841 15.208 2.141
172 1HG1 ILE 26 1HG1 ILE 26 -2.253 17.779 1.851
173 2HG1 ILE 26 2HG1 ILE 26 -3.868 17.580 2.547
174 1HG2 ILE 26 1HG2 ILE 26 -1.946 14.097 0.936
175 2HG2 ILE 26 2HG2 ILE 26 -0.977 15.563 1.148
176 3HG2 ILE 26 3HG2 ILE 26 -1.527 14.649 2.553
177 1HD1 ILE 26 1HD1 ILE 26 -2.865 16.125 4.333
178 2HD1 ILE 26 2HD1 ILE 26 -1.254 16.574 3.716
179 3HD1 ILE 26 3HD1 ILE 26 -2.335 17.820 4.352
180 H ASN 27 H ASN 27 -3.763 18.471 -0.548
181 HA ASN 27 HA ASN 27 -6.438 19.117 0.401
182 1HB ASN 27 1HB ASN 27 -4.499 20.584 0.566
183 2HB ASN 27 2HB ASN 27 -4.396 20.703 -1.209
184 1HD2 ASN 27 2HD2 ASN 27 -6.089 23.689 0.285
185 2HD2 ASN 27 1HD2 ASN 27 -4.554 22.860 0.581
186 H LEU 28 H LEU 28 -4.780 19.026 -2.839
187 HA LEU 28 HA LEU 28 -7.264 19.336 -4.284
188 1HB LEU 28 1HB LEU 28 -4.407 18.688 -5.059
189 2HB LEU 28 2HB LEU 28 -5.721 18.484 -6.200
190 HG LEU 28 HG LEU 28 -6.375 20.788 -6.084
191 1HD1 LEU 28 2HD1 LEU 28 -4.110 21.204 -4.088
192 2HD1 LEU 28 3HD1 LEU 28 -5.034 22.486 -4.884
193 3HD1 LEU 28 1HD1 LEU 28 -5.848 21.397 -3.760
194 1HD2 LEU 28 3HD2 LEU 28 -4.596 20.096 -7.659
195 2HD2 LEU 28 1HD2 LEU 28 -4.369 21.771 -7.128
196 3HD2 LEU 28 2HD2 LEU 28 -3.360 20.481 -6.440
197 H GLU 29 H GLU 29 -5.053 16.457 -3.970
198 HA GLU 29 HA GLU 29 -7.450 14.756 -4.558
199 1HB GLU 29 1HB GLU 29 -5.930 12.890 -4.950
200 2HB GLU 29 2HB GLU 29 -5.857 14.216 -6.097
201 1HG GLU 29 1HG GLU 29 -3.731 15.003 -4.893
202 2HG GLU 29 2HG GLU 29 -3.736 13.431 -4.059
203 HE1 GLU 29 HE2 GLU 29 -3.007 13.755 -8.010
204 H LYS 30 H LYS 30 -7.000 12.565 -3.082
205 HA LYS 30 HA LYS 30 -7.190 13.747 -0.351
206 1HB LYS 30 1HB LYS 30 -8.779 11.584 -1.726
207 2HB LYS 30 2HB LYS 30 -8.855 11.851 0.022
208 1HG LYS 30 1HG LYS 30 -9.357 14.072 -2.008
209 2HG LYS 30 2HG LYS 30 -10.623 13.054 -1.344
210 1HD LYS 30 1HD LYS 30 -10.719 14.131 0.598
211 2HD LYS 30 2HD LYS 30 -8.990 14.157 0.855
212 1HE LYS 30 1HE LYS 30 -10.472 16.085 -1.003
213 2HE LYS 30 2HE LYS 30 -10.125 16.421 0.696
214 1HZ LYS 30 3HZ LYS 30 -8.024 15.942 -1.327
215 2HZ LYS 30 1HZ LYS 30 -8.506 17.398 -0.814
216 3HZ LYS 30 2HZ LYS 30 -7.754 16.361 0.206
217 H ALA 31 H ALA 31 -4.825 12.427 -1.728
218 HA ALA 31 HA ALA 31 -3.815 10.197 -0.446
219 1HB ALA 31 1HB ALA 31 -2.643 11.644 -2.098
220 2HB ALA 31 2HB ALA 31 -2.514 12.921 -0.893
221 3HB ALA 31 3HB ALA 31 -1.647 11.390 -0.649
222 H ARG 32 H ARG 32 -2.334 10.028 1.453
223 HA ARG 32 HA ARG 32 -3.515 11.484 3.794
224 1HB ARG 32 1HB ARG 32 -1.670 9.071 3.658
225 2HB ARG 32 2HB ARG 32 -2.248 9.807 5.155
226 1HG ARG 32 1HG ARG 32 -4.090 8.587 3.086
227 2HG ARG 32 2HG ARG 32 -3.336 7.668 4.388
228 1HD ARG 32 1HD ARG 32 -5.589 8.210 5.095
229 2HD ARG 32 2HD ARG 32 -4.404 9.018 6.110
230 HE ARG 32 HE ARG 32 -5.308 11.016 5.539
231 1HH1 ARG 32 1HH2 ARG 32 -6.293 8.717 3.034
232 2HH1 ARG 32 2HH2 ARG 32 -6.721 9.982 1.889
233 1HH2 ARG 32 1HH1 ARG 32 -5.996 12.661 4.012
234 2HH2 ARG 32 2HH1 ARG 32 -6.467 12.132 2.423
235 H HIS 33 H HIS 33 -0.290 10.608 2.499
236 HA HIS 33 HA HIS 33 0.781 13.010 3.948
237 1HB HIS 33 2HB HIS 33 2.239 10.432 3.262
238 2HB HIS 33 1HB HIS 33 2.993 11.908 3.838
239 HD1 HIS 33 HD1 HIS 33 -0.075 10.018 5.167
240 HD2 HIS 33 HD2 HIS 33 3.718 11.320 6.358
241 HE1 HIS 33 HE1 HIS 33 0.161 9.433 7.618
242 H GLY 34 H GLY 34 2.536 14.039 2.887
243 1HA GLY 34 1HA GLY 34 3.332 13.433 0.279
244 2HA GLY 34 2HA GLY 34 2.297 14.889 0.245
245 H SER 35 H SER 35 5.193 14.794 -0.252
246 HA SER 35 HA SER 35 6.252 16.798 1.514
247 1HB SER 35 1HB SER 35 7.080 13.873 1.922
248 2HB SER 35 2HB SER 35 8.199 15.185 2.256
249 HG SER 35 HG SER 35 5.661 14.732 3.412
250 H CYS 36 H CYS 36 8.341 17.466 0.665
251 HA CYS 36 HA CYS 36 8.679 16.625 -2.175
252 1HB CYS 36 1HB CYS 36 8.330 18.994 -1.857
253 2HB CYS 36 2HB CYS 36 9.653 19.069 -0.671
254 H ASN 37 H ASN 37 10.611 15.817 -2.929
255 HA ASN 37 HA ASN 37 12.925 15.675 -1.053
256 1HB ASN 37 1HB ASN 37 11.956 13.435 -0.952
257 2HB ASN 37 2HB ASN 37 11.824 13.375 -2.721
258 1HD2 ASN 37 2HD2 ASN 37 15.108 12.157 -3.099
259 2HD2 ASN 37 1HD2 ASN 37 13.433 12.083 -3.601
260 H TYR 38 H TYR 38 14.996 15.379 -2.284
261 HA TYR 38 HA TYR 38 14.974 16.972 -4.716
262 1HB TYR 38 1HB TYR 38 16.850 17.113 -3.142
263 2HB TYR 38 2HB TYR 38 17.288 15.446 -3.529
264 HD1 TYR 38 HD2 TYR 38 16.904 18.893 -4.904
265 HD2 TYR 38 HD1 TYR 38 18.353 14.910 -5.686
266 HE1 TYR 38 HE2 TYR 38 17.686 19.619 -7.131
267 HE2 TYR 38 HE1 TYR 38 19.096 15.630 -7.938
268 HH TYR 38 HH TYR 38 18.533 18.926 -9.191
269 H VAL 39 H VAL 39 13.909 16.053 -6.353
270 HA VAL 39 HA VAL 39 15.201 13.784 -7.666
271 HB VAL 39 HB VAL 39 12.166 13.971 -7.443
272 1HG1 VAL 39 3HG1 VAL 39 13.999 11.864 -8.641
273 2HG1 VAL 39 1HG1 VAL 39 12.276 11.601 -8.314
274 3HG1 VAL 39 2HG1 VAL 39 12.750 12.830 -9.470
275 1HG2 VAL 39 1HG2 VAL 39 14.021 12.104 -5.938
276 2HG2 VAL 39 2HG2 VAL 39 12.927 13.336 -5.247
277 3HG2 VAL 39 3HG2 VAL 39 12.259 11.918 -6.048
278 H PHE 40 H PHE 40 14.378 13.891 -10.056
279 HA PHE 40 HA PHE 40 14.920 16.406 -11.086
280 1HB PHE 40 1HB PHE 40 14.586 15.520 -13.188
281 2HB PHE 40 2HB PHE 40 14.961 14.096 -12.257
282 HD1 PHE 40 HD1 PHE 40 13.127 12.425 -11.750
283 HD2 PHE 40 HD2 PHE 40 12.436 15.888 -14.232
284 HE1 PHE 40 HE1 PHE 40 11.025 11.419 -12.579
285 HE2 PHE 40 HE2 PHE 40 10.376 14.844 -15.110
286 HZ PHE 40 HZ PHE 40 9.665 12.601 -14.292
287 HA PRO 41 HA PRO 41 14.153 17.816 -13.047
288 1HB PRO 41 1HB PRO 41 13.531 20.475 -13.088
289 2HB PRO 41 2HB PRO 41 12.616 19.237 -13.995
290 1HG PRO 41 1HG PRO 41 11.921 20.411 -11.291
291 2HG PRO 41 2HG PRO 41 10.854 20.235 -12.713
292 1HD PRO 41 1HD PRO 41 10.875 18.423 -10.670
293 2HD PRO 41 2HD PRO 41 10.679 17.891 -12.365
294 H ALA 42 H ALA 42 13.290 19.375 -9.936
295 HA ALA 42 HA ALA 42 15.914 19.162 -8.879
296 1HB ALA 42 2HB ALA 42 15.156 21.940 -9.897
297 2HB ALA 42 3HB ALA 42 16.467 21.603 -8.748
298 3HB ALA 42 1HB ALA 42 16.563 20.979 -10.400
299 H HIS 43 H HIS 43 14.333 18.253 -7.450
300 HA HIS 43 HA HIS 43 13.433 18.342 -5.291
301 1HB HIS 43 2HB HIS 43 12.610 21.229 -5.675
302 2HB HIS 43 1HB HIS 43 12.463 20.261 -4.251
303 HD1 HIS 43 HD1 HIS 43 15.016 22.154 -6.175
304 HD2 HIS 43 HD2 HIS 43 14.770 19.871 -2.677
305 HE1 HIS 43 HE1 HIS 43 17.168 22.574 -4.833
306 H LYS 44 H LYS 44 11.637 17.142 -5.364
307 HA LYS 44 HA LYS 44 9.471 17.834 -7.296
308 1HB LYS 44 1HB LYS 44 11.228 16.052 -8.023
309 2HB LYS 44 2HB LYS 44 10.358 15.054 -6.834
310 1HG LYS 44 1HG LYS 44 8.205 15.592 -8.096
311 2HG LYS 44 2HG LYS 44 9.227 16.419 -9.293
312 1HD LYS 44 1HD LYS 44 10.571 14.117 -9.283
313 2HD LYS 44 2HD LYS 44 9.133 13.477 -8.494
314 1HE LYS 44 1HE LYS 44 9.062 13.029 -10.886
315 2HE LYS 44 2HE LYS 44 7.763 14.167 -10.486
316 1HZ LYS 44 2HZ LYS 44 10.401 15.065 -11.438
317 2HZ LYS 44 3HZ LYS 44 9.201 14.674 -12.493
318 3HZ LYS 44 1HZ LYS 44 8.984 15.906 -11.430
319 H CYS 45 H CYS 45 7.445 17.431 -6.520
320 HA CYS 45 HA CYS 45 7.096 16.899 -3.718
321 1HB CYS 45 1HB CYS 45 5.570 18.312 -5.153
322 2HB CYS 45 2HB CYS 45 5.053 16.827 -5.970
323 H ILE 46 H ILE 46 6.477 14.944 -2.730
324 HA ILE 46 HA ILE 46 5.980 12.570 -4.441
325 HB ILE 46 HB ILE 46 7.266 12.587 -1.678
326 1HG1 ILE 46 1HG1 ILE 46 8.907 13.545 -3.226
327 2HG1 ILE 46 2HG1 ILE 46 9.384 11.969 -2.610
328 1HG2 ILE 46 3HG2 ILE 46 6.778 10.357 -3.689
329 2HG2 ILE 46 1HG2 ILE 46 7.735 10.196 -2.198
330 3HG2 ILE 46 2HG2 ILE 46 6.010 10.572 -2.110
331 1HD1 ILE 46 3HD1 ILE 46 8.220 12.468 -5.381
332 2HD1 ILE 46 1HD1 ILE 46 9.922 12.206 -4.989
333 3HD1 ILE 46 2HD1 ILE 46 8.756 10.897 -4.745
334 H CYS 47 H CYS 47 4.066 11.501 -3.854
335 HA CYS 47 HA CYS 47 2.600 12.554 -1.471
336 1HB CYS 47 1HB CYS 47 1.904 13.580 -3.633
337 2HB CYS 47 2HB CYS 47 1.402 11.965 -4.177
338 H TYR 48 H TYR 48 1.118 11.006 -0.466
339 HA TYR 48 HA TYR 48 1.702 8.167 -1.204
340 1HB TYR 48 1HB TYR 48 1.848 9.251 1.581
341 2HB TYR 48 2HB TYR 48 2.284 7.654 1.016
342 HD1 TYR 48 HD1 TYR 48 3.319 11.224 0.983
343 HD2 TYR 48 HD2 TYR 48 4.507 7.154 0.261
344 HE1 TYR 48 HE1 TYR 48 5.691 11.936 0.924
345 HE2 TYR 48 HE2 TYR 48 6.881 7.852 0.255
346 HH TYR 48 HH TYR 48 8.365 9.608 0.524
347 H PHE 49 H PHE 49 0.115 6.731 -0.914
348 HA PHE 49 HA PHE 49 -2.449 7.564 0.310
349 1HB PHE 49 1HB PHE 49 -2.227 5.718 -2.070
350 2HB PHE 49 2HB PHE 49 -3.564 6.703 -1.561
351 HD1 PHE 49 HD1 PHE 49 -0.137 6.877 -3.052
352 HD2 PHE 49 HD2 PHE 49 -3.986 8.790 -2.748
353 HE1 PHE 49 HE1 PHE 49 0.803 8.947 -3.931
354 HE2 PHE 49 HE2 PHE 49 -3.170 10.598 -4.237
355 HZ PHE 49 HZ PHE 49 -0.743 10.699 -4.868
356 HA PRO 50 HA PRO 50 -1.936 3.612 2.429
357 1HB PRO 50 1HB PRO 50 -4.530 2.765 2.744
358 2HB PRO 50 2HB PRO 50 -3.808 4.104 3.680
359 1HG PRO 50 1HG PRO 50 -5.509 4.305 1.180
360 2HG PRO 50 2HG PRO 50 -5.697 5.216 2.706
361 1HD PRO 50 1HD PRO 50 -4.395 6.280 0.563
362 2HD PRO 50 2HD PRO 50 -3.759 6.547 2.226
363 H CYS 51 H CYS 51 -1.304 1.665 1.503
364 HA CYS 51 HA CYS 51 -1.930 1.410 -1.344
365 1HB CYS 51 1HB CYS 51 0.311 1.179 -0.212
366 2HB CYS 51 2HB CYS 51 -0.168 -0.469 0.233
No H/Q in entry = 366
Start of MODEL 4
1 HA PCA 1 HA PYR 1 -2.848 1.700 5.879
2 1HB PCA 1 1HB PYR 1 -1.333 -0.377 7.042
3 2HB PCA 1 2HB PYR 1 -3.098 -0.362 6.828
4 1HG PCA 1 1HG PYR 1 -1.089 -1.842 5.178
5 2HG PCA 1 2HG PYR 1 -2.815 -2.202 5.474
6 HN PCA 1 HN PYR 1 -2.649 1.247 3.396
7 H LYS 2 H LYS 2 0.172 -0.113 5.349
8 HA LYS 2 HA LYS 2 2.034 1.954 5.919
9 1HB LYS 2 1HB LYS 2 2.648 -0.425 5.789
10 2HB LYS 2 2HB LYS 2 2.090 -0.497 4.125
11 1HG LYS 2 1HG LYS 2 4.048 1.439 3.853
12 2HG LYS 2 2HG LYS 2 4.633 0.615 5.277
13 1HD LYS 2 1HD LYS 2 5.607 -0.212 3.160
14 2HD LYS 2 2HD LYS 2 4.811 -1.485 4.079
15 1HE LYS 2 1HE LYS 2 4.477 -1.418 1.506
16 2HE LYS 2 2HE LYS 2 3.070 -1.726 2.517
17 1HZ LYS 2 3HZ LYS 2 3.701 0.935 1.351
18 2HZ LYS 2 1HZ LYS 2 2.537 -0.137 0.834
19 3HZ LYS 2 2HZ LYS 2 2.393 0.550 2.244
20 H LEU 3 H LEU 3 2.634 3.753 4.656
21 HA LEU 3 HA LEU 3 1.170 4.477 2.395
22 1HB LEU 3 1HB LEU 3 3.931 5.364 3.175
23 2HB LEU 3 2HB LEU 3 2.912 6.183 1.997
24 HG LEU 3 HG LEU 3 2.131 5.854 4.927
25 1HD1 LEU 3 2HD1 LEU 3 4.185 7.212 4.685
26 2HD1 LEU 3 3HD1 LEU 3 3.382 8.246 3.498
27 3HD1 LEU 3 1HD1 LEU 3 2.803 8.208 5.170
28 1HD2 LEU 3 3HD2 LEU 3 0.970 7.518 2.645
29 2HD2 LEU 3 1HD2 LEU 3 0.179 6.195 3.514
30 3HD2 LEU 3 2HD2 LEU 3 0.541 7.711 4.351
31 H CYS 4 H CYS 4 1.676 4.694 0.225
32 HA CYS 4 HA CYS 4 4.044 3.325 -0.955
33 1HB CYS 4 1HB CYS 4 1.181 3.318 -2.009
34 2HB CYS 4 2HB CYS 4 2.589 2.929 -2.985
35 H GLU 5 H GLU 5 4.954 4.591 -2.598
36 HA GLU 5 HA GLU 5 4.283 7.448 -2.472
37 1HB GLU 5 1HB GLU 5 6.569 6.041 -3.920
38 2HB GLU 5 2HB GLU 5 6.409 7.767 -3.556
39 1HG GLU 5 1HG GLU 5 6.360 7.121 -1.092
40 2HG GLU 5 2HG GLU 5 6.835 5.487 -1.568
41 HE1 GLU 5 HE2 GLU 5 10.012 6.716 -2.805
42 H ARG 6 H ARG 6 3.306 8.538 -4.118
43 HA ARG 6 HA ARG 6 3.358 7.447 -6.868
44 1HB ARG 6 1HB ARG 6 1.038 7.448 -5.261
45 2HB ARG 6 2HB ARG 6 0.867 8.873 -6.271
46 1HG ARG 6 1HG ARG 6 1.367 6.020 -7.231
47 2HG ARG 6 2HG ARG 6 -0.197 6.829 -7.147
48 1HD ARG 6 1HD ARG 6 2.135 7.469 -8.976
49 2HD ARG 6 2HD ARG 6 0.528 6.966 -9.451
50 HE ARG 6 HE ARG 6 1.463 9.660 -8.802
51 1HH1 ARG 6 1HH1 ARG 6 -1.453 7.675 -8.831
52 2HH1 ARG 6 2HH1 ARG 6 -2.542 9.032 -8.869
53 1HH2 ARG 6 2HH2 ARG 6 0.140 11.396 -8.748
54 2HH2 ARG 6 1HH2 ARG 6 -1.583 11.279 -8.823
55 HA PRO 7 HA PRO 7 4.936 11.760 -7.123
56 1HB PRO 7 1HB PRO 7 4.262 11.089 -10.003
57 2HB PRO 7 2HB PRO 7 5.634 12.055 -9.382
58 1HG PRO 7 1HG PRO 7 6.048 9.466 -10.045
59 2HG PRO 7 2HG PRO 7 6.689 10.070 -8.488
60 1HD PRO 7 1HD PRO 7 4.167 8.481 -8.977
61 2HD PRO 7 2HD PRO 7 5.403 8.260 -7.700
62 H SER 8 H SER 8 3.639 13.606 -6.908
63 HA SER 8 HA SER 8 0.982 13.323 -6.400
64 1HB SER 8 1HB SER 8 0.819 15.806 -6.611
65 2HB SER 8 2HB SER 8 2.196 15.251 -5.655
66 HG SER 8 HG SER 8 3.564 15.714 -7.272
67 H GLY 9 H GLY 9 2.270 14.507 -9.544
68 1HA GLY 9 1HA GLY 9 1.290 14.015 -11.656
69 2HA GLY 9 2HA GLY 9 -0.238 13.570 -10.886
70 H THR 10 H THR 10 -0.216 15.962 -9.062
71 HA THR 10 HA THR 10 -1.163 18.048 -10.874
72 HB THR 10 HB THR 10 -1.273 19.190 -8.519
73 HG1 THR 10 HG1 THR 10 -1.058 17.906 -6.830
74 1HG2 THR 10 1HG2 THR 10 -3.277 18.315 -9.643
75 2HG2 THR 10 2HG2 THR 10 -2.939 16.689 -8.990
76 3HG2 THR 10 3HG2 THR 10 -3.325 18.038 -7.891
77 H TRP 11 H TRP 11 1.578 17.393 -8.590
78 HA TRP 11 HA TRP 11 2.969 19.791 -9.700
79 1HB TRP 11 1HB TRP 11 1.839 20.113 -7.530
80 2HB TRP 11 2HB TRP 11 2.878 18.905 -6.813
81 HD1 TRP 11 HD1 TRP 11 5.163 20.696 -8.995
82 HE1 TRP 11 HE1 TRP 11 6.308 22.670 -7.838
83 HE3 TRP 11 HE3 TRP 11 2.120 21.103 -4.927
84 HZ2 TRP 11 HZ2 TRP 11 5.908 24.264 -5.465
85 HZ3 TRP 11 HZ3 TRP 11 2.549 22.815 -3.195
86 HH2 TRP 11 HH2 TRP 11 4.536 24.266 -3.373
87 H SER 12 H SER 12 3.519 17.805 -11.086
88 HA SER 12 HA SER 12 5.866 16.330 -10.118
89 1HB SER 12 1HB SER 12 4.645 16.542 -12.897
90 2HB SER 12 2HB SER 12 5.791 15.315 -12.327
91 HG SER 12 HG SER 12 3.529 14.670 -12.257
92 H GLY 13 H GLY 13 5.422 19.488 -10.972
93 1HA GLY 13 1HA GLY 13 7.863 20.043 -12.478
94 2HA GLY 13 2HA GLY 13 6.765 21.185 -11.694
95 H VAL 14 H VAL 14 8.744 22.246 -10.920
96 HA VAL 14 HA VAL 14 10.534 20.929 -9.092
97 HB VAL 14 HB VAL 14 10.029 23.905 -9.149
98 1HG1 VAL 14 1HG1 VAL 14 11.570 22.958 -7.439
99 2HG1 VAL 14 2HG1 VAL 14 12.544 22.243 -8.741
100 3HG1 VAL 14 3HG1 VAL 14 12.412 24.006 -8.590
101 1HG2 VAL 14 2HG2 VAL 14 11.605 22.292 -11.188
102 2HG2 VAL 14 3HG2 VAL 14 10.275 23.423 -11.511
103 3HG2 VAL 14 1HG2 VAL 14 11.824 24.034 -10.929
104 H CYS 15 H CYS 15 9.990 20.391 -7.002
105 HA CYS 15 HA CYS 15 7.358 20.991 -6.044
106 1HB CYS 15 1HB CYS 15 7.650 19.290 -4.710
107 2HB CYS 15 2HB CYS 15 9.290 19.093 -5.324
108 H GLY 16 H GLY 16 10.513 22.418 -5.221
109 1HA GLY 16 1HA GLY 16 10.980 24.386 -4.127
110 2HA GLY 16 2HA GLY 16 9.254 24.742 -4.044
111 H ASN 17 H ASN 17 8.315 22.538 -2.463
112 HA ASN 17 HA ASN 17 9.796 22.563 0.042
113 1HB ASN 17 1HB ASN 17 9.014 24.890 0.073
114 2HB ASN 17 2HB ASN 17 7.369 24.370 -0.324
115 1HD2 ASN 17 2HD2 ASN 17 8.787 23.909 3.524
116 2HD2 ASN 17 1HD2 ASN 17 9.911 24.181 2.207
117 H ASN 18 H ASN 18 9.253 20.966 1.308
118 HA ASN 18 HA ASN 18 7.593 18.871 0.798
119 1HB ASN 18 1HB ASN 18 9.406 19.076 2.529
120 2HB ASN 18 2HB ASN 18 8.314 19.966 3.569
121 1HD2 ASN 18 2HD2 ASN 18 7.973 15.939 3.301
122 2HD2 ASN 18 1HD2 ASN 18 9.364 16.824 2.666
123 H ASN 19 H ASN 19 6.889 21.388 3.182
124 HA ASN 19 HA ASN 19 4.323 20.476 3.868
125 1HB ASN 19 1HB ASN 19 5.560 22.017 5.283
126 2HB ASN 19 2HB ASN 19 5.364 23.320 4.101
127 1HD2 ASN 19 2HD2 ASN 19 2.063 24.091 5.139
128 2HD2 ASN 19 1HD2 ASN 19 3.414 24.508 4.102
129 H ALA 20 H ALA 20 5.162 23.064 1.526
130 HA ALA 20 HA ALA 20 2.509 23.705 0.740
131 1HB ALA 20 3HB ALA 20 4.507 24.991 0.013
132 2HB ALA 20 1HB ALA 20 4.991 23.629 -1.031
133 3HB ALA 20 2HB ALA 20 3.470 24.495 -1.341
134 H CYS 21 H CYS 21 4.833 21.367 -0.711
135 HA CYS 21 HA CYS 21 3.200 20.273 -2.657
136 1HB CYS 21 1HB CYS 21 5.389 19.514 -2.737
137 2HB CYS 21 2HB CYS 21 5.480 19.214 -1.004
138 H LYS 22 H LYS 22 3.625 19.151 0.697
139 HA LYS 22 HA LYS 22 1.934 16.954 0.790
140 1HB LYS 22 1HB LYS 22 3.505 17.615 2.542
141 2HB LYS 22 2HB LYS 22 2.559 19.044 2.933
142 1HG LYS 22 1HG LYS 22 0.631 17.639 3.610
143 2HG LYS 22 2HG LYS 22 1.562 16.208 3.288
144 1HD LYS 22 1HD LYS 22 1.658 18.224 5.506
145 2HD LYS 22 2HD LYS 22 1.814 16.479 5.628
146 1HE LYS 22 1HE LYS 22 3.955 18.500 4.782
147 2HE LYS 22 2HE LYS 22 3.863 17.686 6.335
148 1HZ LYS 22 1HZ LYS 22 4.214 16.235 3.801
149 2HZ LYS 22 2HZ LYS 22 5.462 16.803 4.677
150 3HZ LYS 22 3HZ LYS 22 4.454 15.660 5.324
151 H ASN 23 H ASN 23 1.178 20.270 1.831
152 HA ASN 23 HA ASN 23 -1.515 19.827 2.408
153 1HB ASN 23 1HB ASN 23 -0.565 21.894 3.163
154 2HB ASN 23 2HB ASN 23 0.072 22.279 1.562
155 1HD2 ASN 23 2HD2 ASN 23 -2.591 24.531 1.136
156 2HD2 ASN 23 1HD2 ASN 23 -0.857 24.291 1.229
157 H GLN 24 H GLN 24 -0.080 21.287 -0.570
158 HA GLN 24 HA GLN 24 -2.376 21.458 -2.149
159 1HB GLN 24 1HB GLN 24 -0.295 22.426 -2.810
160 2HB GLN 24 2HB GLN 24 0.537 20.882 -2.835
161 1HG GLN 24 1HG GLN 24 -1.792 21.586 -4.685
162 2HG GLN 24 2HG GLN 24 -0.112 21.920 -5.093
163 1HE2 GLN 24 2HE2 GLN 24 0.607 18.218 -5.143
164 2HE2 GLN 24 1HE2 GLN 24 1.130 19.511 -4.093
165 H CYS 25 H CYS 25 -0.261 18.508 -1.866
166 HA CYS 25 HA CYS 25 -1.798 17.091 -3.745
167 1HB CYS 25 1HB CYS 25 0.352 16.185 -2.891
168 2HB CYS 25 2HB CYS 25 -0.434 15.799 -1.356
169 H ILE 26 H ILE 26 -2.121 16.984 -0.121
170 HA ILE 26 HA ILE 26 -4.425 15.209 -0.430
171 HB ILE 26 HB ILE 26 -4.571 15.210 1.943
172 1HG1 ILE 26 1HG1 ILE 26 -2.687 17.606 1.907
173 2HG1 ILE 26 2HG1 ILE 26 -4.337 17.536 2.535
174 1HG2 ILE 26 2HG2 ILE 26 -2.716 13.996 0.729
175 2HG2 ILE 26 3HG2 ILE 26 -1.614 15.302 1.217
176 3HG2 ILE 26 1HG2 ILE 26 -2.417 14.301 2.441
177 1HD1 ILE 26 1HD1 ILE 26 -3.538 15.845 4.241
178 2HD1 ILE 26 2HD1 ILE 26 -1.875 16.153 3.683
179 3HD1 ILE 26 3HD1 ILE 26 -2.821 17.462 4.400
180 H ASN 27 H ASN 27 -4.023 18.620 -0.502
181 HA ASN 27 HA ASN 27 -6.703 19.320 0.382
182 1HB ASN 27 1HB ASN 27 -4.695 20.657 0.685
183 2HB ASN 27 2HB ASN 27 -4.568 20.944 -1.068
184 1HD2 ASN 27 2HD2 ASN 27 -6.318 23.713 0.930
185 2HD2 ASN 27 1HD2 ASN 27 -4.869 22.759 1.277
186 H LEU 28 H LEU 28 -4.948 19.309 -2.771
187 HA LEU 28 HA LEU 28 -7.380 19.629 -4.344
188 1HB LEU 28 1HB LEU 28 -4.454 19.123 -4.945
189 2HB LEU 28 2HB LEU 28 -5.678 18.823 -6.174
190 HG LEU 28 HG LEU 28 -6.506 21.130 -5.993
191 1HD1 LEU 28 2HD1 LEU 28 -4.206 21.510 -4.024
192 2HD1 LEU 28 3HD1 LEU 28 -5.099 22.831 -4.803
193 3HD1 LEU 28 1HD1 LEU 28 -5.940 21.743 -3.699
194 1HD2 LEU 28 1HD2 LEU 28 -4.776 20.518 -7.645
195 2HD2 LEU 28 2HD2 LEU 28 -4.578 22.190 -7.092
196 3HD2 LEU 28 3HD2 LEU 28 -3.506 20.918 -6.471
197 H GLU 29 H GLU 29 -5.045 16.812 -4.386
198 HA GLU 29 HA GLU 29 -7.412 15.137 -5.041
199 1HB GLU 29 1HB GLU 29 -5.817 13.357 -5.513
200 2HB GLU 29 2HB GLU 29 -5.593 14.785 -6.510
201 1HG GLU 29 1HG GLU 29 -3.888 14.381 -4.050
202 2HG GLU 29 2HG GLU 29 -3.567 13.464 -5.516
203 HE2 GLU 29 HE2 GLU 29 -1.756 15.960 -6.952
204 H LYS 30 H LYS 30 -7.088 12.799 -3.892
205 HA LYS 30 HA LYS 30 -7.440 13.507 -1.040
206 1HB LYS 30 1HB LYS 30 -9.044 11.660 -2.794
207 2HB LYS 30 2HB LYS 30 -9.268 11.809 -1.042
208 1HG LYS 30 1HG LYS 30 -9.413 14.190 -2.958
209 2HG LYS 30 2HG LYS 30 -10.803 13.263 -2.440
210 1HD LYS 30 1HD LYS 30 -10.896 14.154 -0.389
211 2HD LYS 30 2HD LYS 30 -9.179 14.228 -0.122
212 1HE LYS 30 1HE LYS 30 -10.759 16.210 -1.834
213 2HE LYS 30 2HE LYS 30 -10.288 16.439 -0.147
214 1HZ LYS 30 3HZ LYS 30 -7.904 16.274 -0.934
215 2HZ LYS 30 1HZ LYS 30 -8.470 16.368 -2.466
216 3HZ LYS 30 2HZ LYS 30 -8.746 17.580 -1.447
217 H ALA 31 H ALA 31 -4.992 12.467 -2.253
218 HA ALA 31 HA ALA 31 -4.228 9.976 -1.149
219 1HB ALA 31 2HB ALA 31 -2.912 11.564 -2.670
220 2HB ALA 31 3HB ALA 31 -2.658 12.572 -1.238
221 3HB ALA 31 1HB ALA 31 -1.988 10.924 -1.303
222 H ARG 32 H ARG 32 -2.131 10.572 0.729
223 HA ARG 32 HA ARG 32 -3.731 11.471 3.095
224 1HB ARG 32 1HB ARG 32 -3.556 8.884 2.381
225 2HB ARG 32 2HB ARG 32 -2.037 8.997 3.267
226 1HG ARG 32 1HG ARG 32 -3.951 8.160 4.593
227 2HG ARG 32 2HG ARG 32 -3.234 9.611 5.296
228 1HD ARG 32 1HD ARG 32 -5.823 9.489 5.270
229 2HD ARG 32 2HD ARG 32 -5.081 10.966 4.729
230 HE ARG 32 HE ARG 32 -5.761 10.650 2.554
231 1HH1 ARG 32 1HH1 ARG 32 -6.325 7.674 4.356
232 2HH1 ARG 32 2HH1 ARG 32 -7.320 6.932 3.138
233 1HH2 ARG 32 2HH2 ARG 32 -7.046 9.713 0.917
234 2HH2 ARG 32 1HH2 ARG 32 -7.730 8.133 1.114
235 H HIS 33 H HIS 33 -0.446 10.602 2.025
236 HA HIS 33 HA HIS 33 0.498 12.884 3.699
237 1HB HIS 33 2HB HIS 33 1.671 10.125 3.416
238 2HB HIS 33 1HB HIS 33 2.779 11.510 3.449
239 HD1 HIS 33 HD1 HIS 33 -0.373 11.739 5.492
240 HD2 HIS 33 HD2 HIS 33 3.675 10.728 5.981
241 HE1 HIS 33 HE1 HIS 33 0.087 11.646 7.998
242 H GLY 34 H GLY 34 2.506 13.839 2.749
243 1HA GLY 34 1HA GLY 34 3.068 13.372 0.022
244 2HA GLY 34 2HA GLY 34 2.196 14.895 0.179
245 H SER 35 H SER 35 5.064 14.458 -0.552
246 HA SER 35 HA SER 35 6.398 16.255 1.236
247 1HB SER 35 1HB SER 35 6.890 13.257 1.500
248 2HB SER 35 2HB SER 35 8.234 14.365 1.736
249 HG SER 35 HG SER 35 5.750 14.477 3.074
250 H CYS 36 H CYS 36 8.900 16.088 0.598
251 HA CYS 36 HA CYS 36 9.073 15.696 -2.356
252 1HB CYS 36 1HB CYS 36 10.261 17.963 -0.714
253 2HB CYS 36 2HB CYS 36 10.517 17.669 -2.432
254 H ASN 37 H ASN 37 11.143 15.144 -3.067
255 HA ASN 37 HA ASN 37 13.322 14.607 -1.205
256 1HB ASN 37 1HB ASN 37 12.316 12.396 -1.177
257 2HB ASN 37 2HB ASN 37 11.923 12.487 -2.903
258 1HD2 ASN 37 2HD2 ASN 37 15.014 11.194 -3.946
259 2HD2 ASN 37 1HD2 ASN 37 13.288 11.307 -4.199
260 H TYR 38 H TYR 38 15.335 14.340 -2.637
261 HA TYR 38 HA TYR 38 15.180 16.145 -4.898
262 1HB TYR 38 1HB TYR 38 17.253 15.975 -3.626
263 2HB TYR 38 2HB TYR 38 17.424 14.276 -4.081
264 HD1 TYR 38 HD2 TYR 38 17.463 17.784 -5.352
265 HD2 TYR 38 HD1 TYR 38 18.145 13.643 -6.349
266 HE1 TYR 38 HE2 TYR 38 18.092 18.428 -7.667
267 HE2 TYR 38 HE1 TYR 38 18.593 14.288 -8.698
268 HH TYR 38 HH TYR 38 18.028 17.595 -9.881
269 H VAL 39 H VAL 39 14.076 15.582 -6.625
270 HA VAL 39 HA VAL 39 14.850 13.205 -8.138
271 HB VAL 39 HB VAL 39 11.927 14.056 -7.846
272 1HG1 VAL 39 2HG1 VAL 39 13.236 11.624 -9.161
273 2HG1 VAL 39 3HG1 VAL 39 11.491 11.903 -9.028
274 3HG1 VAL 39 1HG1 VAL 39 12.473 12.976 -10.021
275 1HG2 VAL 39 1HG2 VAL 39 13.346 11.672 -6.584
276 2HG2 VAL 39 2HG2 VAL 39 12.544 13.009 -5.727
277 3HG2 VAL 39 3HG2 VAL 39 11.586 11.869 -6.668
278 H PHE 40 H PHE 40 14.456 13.741 -10.482
279 HA PHE 40 HA PHE 40 15.511 16.228 -11.016
280 1HB PHE 40 1HB PHE 40 15.399 15.713 -13.275
281 2HB PHE 40 2HB PHE 40 15.418 14.136 -12.526
282 HD1 PHE 40 HD1 PHE 40 13.285 12.751 -12.503
283 HD2 PHE 40 HD2 PHE 40 13.516 16.558 -14.527
284 HE1 PHE 40 HE1 PHE 40 11.224 12.215 -13.767
285 HE2 PHE 40 HE2 PHE 40 11.440 16.028 -15.760
286 HZ PHE 40 HZ PHE 40 10.294 13.849 -15.394
287 HA PRO 41 HA PRO 41 15.596 17.948 -12.507
288 1HB PRO 41 1HB PRO 41 15.370 20.621 -12.596
289 2HB PRO 41 2HB PRO 41 14.563 19.567 -13.797
290 1HG PRO 41 1HG PRO 41 13.334 20.810 -11.328
291 2HG PRO 41 2HG PRO 41 12.702 20.846 -12.998
292 1HD PRO 41 1HD PRO 41 11.864 18.984 -11.143
293 2HD PRO 41 2HD PRO 41 12.004 18.592 -12.880
294 H ALA 42 H ALA 42 13.737 19.244 -9.741
295 HA ALA 42 HA ALA 42 15.969 19.083 -7.922
296 1HB ALA 42 2HB ALA 42 15.039 21.853 -8.788
297 2HB ALA 42 3HB ALA 42 16.117 21.498 -7.421
298 3HB ALA 42 1HB ALA 42 16.652 21.156 -9.076
299 H HIS 43 H HIS 43 13.967 17.742 -7.544
300 HA HIS 43 HA HIS 43 12.713 17.185 -5.714
301 1HB HIS 43 2HB HIS 43 12.018 20.116 -5.233
302 2HB HIS 43 1HB HIS 43 11.499 18.773 -4.286
303 HD1 HIS 43 HD1 HIS 43 14.494 20.872 -4.963
304 HD2 HIS 43 HD2 HIS 43 13.457 17.603 -2.565
305 HE1 HIS 43 HE1 HIS 43 16.385 20.542 -3.260
306 H LYS 44 H LYS 44 10.684 16.392 -5.897
307 HA LYS 44 HA LYS 44 8.701 17.710 -7.694
308 1HB LYS 44 1HB LYS 44 9.606 14.819 -7.547
309 2HB LYS 44 2HB LYS 44 7.929 15.217 -7.965
310 1HG LYS 44 1HG LYS 44 8.531 16.486 -9.837
311 2HG LYS 44 2HG LYS 44 10.267 16.448 -9.448
312 1HD LYS 44 1HD LYS 44 10.493 14.183 -9.948
313 2HD LYS 44 2HD LYS 44 8.788 13.816 -9.715
314 1HE LYS 44 1HE LYS 44 9.635 13.735 -12.124
315 2HE LYS 44 2HE LYS 44 8.147 14.646 -11.836
316 1HZ LYS 44 3HZ LYS 44 10.761 15.961 -11.940
317 2HZ LYS 44 1HZ LYS 44 9.842 15.734 -13.279
318 3HZ LYS 44 2HZ LYS 44 9.249 16.644 -12.039
319 H CYS 45 H CYS 45 6.491 17.342 -6.944
320 HA CYS 45 HA CYS 45 6.383 16.909 -4.049
321 1HB CYS 45 1HB CYS 45 4.960 18.629 -5.074
322 2HB CYS 45 2HB CYS 45 4.199 17.385 -6.078
323 H ILE 46 H ILE 46 6.700 14.835 -3.466
324 HA ILE 46 HA ILE 46 5.602 12.594 -5.078
325 HB ILE 46 HB ILE 46 7.312 12.548 -2.563
326 1HG1 ILE 46 1HG1 ILE 46 8.706 13.575 -4.195
327 2HG1 ILE 46 2HG1 ILE 46 9.195 11.894 -4.039
328 1HG2 ILE 46 3HG2 ILE 46 6.563 10.383 -4.575
329 2HG2 ILE 46 1HG2 ILE 46 7.711 10.193 -3.229
330 3HG2 ILE 46 2HG2 ILE 46 6.003 10.512 -2.902
331 1HD1 ILE 46 2HD1 ILE 46 7.951 11.345 -6.144
332 2HD1 ILE 46 3HD1 ILE 46 7.523 13.064 -6.313
333 3HD1 ILE 46 1HD1 ILE 46 9.215 12.561 -6.380
334 H CYS 47 H CYS 47 3.588 11.796 -4.501
335 HA CYS 47 HA CYS 47 2.507 12.765 -1.902
336 1HB CYS 47 1HB CYS 47 1.416 13.550 -3.972
337 2HB CYS 47 2HB CYS 47 0.868 11.882 -4.246
338 H TYR 48 H TYR 48 1.256 11.209 -0.624
339 HA TYR 48 HA TYR 48 2.209 8.408 -1.042
340 1HB TYR 48 1HB TYR 48 2.372 10.178 1.383
341 2HB TYR 48 2HB TYR 48 2.563 8.426 1.428
342 HD1 TYR 48 HD1 TYR 48 4.014 11.490 -0.195
343 HD2 TYR 48 HD2 TYR 48 4.747 7.572 1.430
344 HE1 TYR 48 HE1 TYR 48 6.441 11.861 -0.412
345 HE2 TYR 48 HE2 TYR 48 7.176 7.985 1.302
346 HH TYR 48 HH TYR 48 8.734 9.275 -0.008
347 H PHE 49 H PHE 49 0.723 6.844 -0.586
348 HA PHE 49 HA PHE 49 -1.844 7.630 0.644
349 1HB PHE 49 1HB PHE 49 -1.608 5.725 -1.678
350 2HB PHE 49 2HB PHE 49 -2.989 6.544 -1.066
351 HD1 PHE 49 HD2 PHE 49 0.340 7.547 -2.634
352 HD2 PHE 49 HD1 PHE 49 -3.954 7.969 -2.672
353 HE1 PHE 49 HE2 PHE 49 0.541 9.486 -4.121
354 HE2 PHE 49 HE1 PHE 49 -3.742 9.559 -4.555
355 HZ PHE 49 HZ PHE 49 -1.459 10.280 -5.327
356 HA PRO 50 HA PRO 50 -1.001 3.785 2.899
357 1HB PRO 50 1HB PRO 50 -3.552 3.083 3.647
358 2HB PRO 50 2HB PRO 50 -2.676 4.471 4.349
359 1HG PRO 50 1HG PRO 50 -4.701 4.495 2.092
360 2HG PRO 50 2HG PRO 50 -4.674 5.528 3.552
361 1HD PRO 50 1HD PRO 50 -3.627 6.372 1.153
362 2HD PRO 50 2HD PRO 50 -2.832 6.790 2.713
363 H CYS 51 H CYS 51 -0.501 1.822 1.921
364 HA CYS 51 HA CYS 51 -2.388 0.482 0.102
365 1HB CYS 51 1HB CYS 51 -1.756 1.821 -1.607
366 2HB CYS 51 2HB CYS 51 -0.344 2.406 -0.759
No H/Q in entry = 366
Start of MODEL 5
1 HA PCA 1 HA PYR 1 -0.806 -2.694 4.114
2 1HB PCA 1 1HB PYR 1 1.865 -3.490 3.505
3 2HB PCA 1 2HB PYR 1 0.421 -4.532 3.552
4 1HG PCA 1 1HG PYR 1 1.818 -3.463 1.150
5 2HG PCA 1 2HG PYR 1 0.706 -4.857 1.289
6 HN PCA 1 HN PYR 1 -1.425 -1.477 1.941
7 H LYS 2 H LYS 2 1.838 -1.306 2.126
8 HA LYS 2 HA LYS 2 2.223 0.868 4.133
9 1HB LYS 2 1HB LYS 2 4.227 1.415 3.031
10 2HB LYS 2 2HB LYS 2 4.272 -0.312 3.380
11 1HG LYS 2 1HG LYS 2 3.963 -0.901 1.072
12 2HG LYS 2 2HG LYS 2 3.413 0.724 0.651
13 1HD LYS 2 1HD LYS 2 5.754 1.556 1.414
14 2HD LYS 2 2HD LYS 2 6.229 -0.141 1.418
15 1HE LYS 2 1HE LYS 2 6.881 1.033 -0.645
16 2HE LYS 2 2HE LYS 2 5.764 -0.289 -1.015
17 1HZ LYS 2 2HZ LYS 2 4.693 2.415 -0.599
18 2HZ LYS 2 3HZ LYS 2 5.417 2.089 -2.019
19 3HZ LYS 2 1HZ LYS 2 4.108 1.215 -1.523
20 H LEU 3 H LEU 3 2.576 3.087 3.014
21 HA LEU 3 HA LEU 3 0.280 3.687 1.332
22 1HB LEU 3 1HB LEU 3 2.659 5.446 1.885
23 2HB LEU 3 2HB LEU 3 1.101 5.902 1.213
24 HG LEU 3 HG LEU 3 0.221 4.807 3.542
25 1HD1 LEU 3 1HD1 LEU 3 2.962 6.054 4.141
26 2HD1 LEU 3 2HD1 LEU 3 1.739 5.660 5.366
27 3HD1 LEU 3 3HD1 LEU 3 2.516 4.370 4.449
28 1HD2 LEU 3 1HD2 LEU 3 -0.339 7.038 2.652
29 2HD2 LEU 3 2HD2 LEU 3 0.007 7.073 4.394
30 3HD2 LEU 3 3HD2 LEU 3 1.212 7.663 3.249
31 H CYS 4 H CYS 4 0.301 4.254 -0.807
32 HA CYS 4 HA CYS 4 2.596 3.356 -2.489
33 1HB CYS 4 1HB CYS 4 -0.307 3.908 -3.107
34 2HB CYS 4 2HB CYS 4 0.949 3.954 -4.355
35 H GLU 5 H GLU 5 4.087 4.850 -2.396
36 HA GLU 5 HA GLU 5 3.726 7.683 -2.426
37 1HB GLU 5 1HB GLU 5 6.068 7.794 -2.766
38 2HB GLU 5 2HB GLU 5 5.744 6.479 -1.640
39 1HG GLU 5 1HG GLU 5 6.664 6.304 -4.525
40 2HG GLU 5 2HG GLU 5 7.487 5.748 -3.076
41 HE2 GLU 5 HE2 GLU 5 5.321 4.826 -5.508
42 H ARG 6 H ARG 6 2.959 8.900 -4.106
43 HA ARG 6 HA ARG 6 3.714 8.189 -6.882
44 1HB ARG 6 1HB ARG 6 1.119 7.753 -6.008
45 2HB ARG 6 2HB ARG 6 1.035 9.446 -6.468
46 1HG ARG 6 1HG ARG 6 2.337 8.326 -8.656
47 2HG ARG 6 2HG ARG 6 1.341 6.983 -8.099
48 1HD ARG 6 1HD ARG 6 0.227 8.163 -9.842
49 2HD ARG 6 2HD ARG 6 -0.672 8.443 -8.344
50 HE ARG 6 HE ARG 6 0.887 10.599 -8.288
51 1HH1 ARG 6 1HH2 ARG 6 -0.862 9.390 -11.134
52 2HH1 ARG 6 2HH2 ARG 6 -0.829 10.936 -11.933
53 1HH2 ARG 6 1HH1 ARG 6 0.838 12.561 -9.253
54 2HH2 ARG 6 2HH1 ARG 6 0.255 12.835 -10.846
55 HA PRO 7 HA PRO 7 4.715 12.617 -6.594
56 1HB PRO 7 1HB PRO 7 3.848 12.547 -9.497
57 2HB PRO 7 2HB PRO 7 5.233 13.421 -8.777
58 1HG PRO 7 1HG PRO 7 5.658 11.073 -10.072
59 2HG PRO 7 2HG PRO 7 6.453 11.363 -8.496
60 1HD PRO 7 1HD PRO 7 3.966 9.733 -9.049
61 2HD PRO 7 2HD PRO 7 5.357 9.352 -7.993
62 H SER 8 H SER 8 3.194 14.377 -6.162
63 HA SER 8 HA SER 8 0.665 13.750 -5.405
64 1HB SER 8 1HB SER 8 1.500 15.822 -4.725
65 2HB SER 8 2HB SER 8 1.795 16.328 -6.394
66 HG SER 8 HG SER 8 -0.813 15.941 -5.275
67 H GLY 9 H GLY 9 -1.380 13.617 -6.139
68 1HA GLY 9 1HA GLY 9 -1.919 12.682 -8.767
69 2HA GLY 9 2HA GLY 9 -3.100 13.212 -7.557
70 H THR 10 H THR 10 -2.373 15.860 -7.143
71 HA THR 10 HA THR 10 -3.265 17.148 -9.644
72 HB THR 10 HB THR 10 -3.197 19.183 -8.081
73 HG1 THR 10 HG1 THR 10 -1.846 18.467 -6.446
74 1HG2 THR 10 1HG2 THR 10 -4.892 16.753 -7.334
75 2HG2 THR 10 2HG2 THR 10 -5.202 18.420 -6.810
76 3HG2 THR 10 3HG2 THR 10 -5.284 18.003 -8.532
77 H TRP 11 H TRP 11 -0.478 17.400 -7.337
78 HA TRP 11 HA TRP 11 0.807 19.269 -9.222
79 1HB TRP 11 1HB TRP 11 0.525 19.664 -6.777
80 2HB TRP 11 2HB TRP 11 1.730 18.438 -6.457
81 HD1 TRP 11 HD1 TRP 11 3.609 19.623 -9.039
82 HE1 TRP 11 HE1 TRP 11 5.086 21.641 -8.443
83 HE3 TRP 11 HE3 TRP 11 1.146 21.254 -4.862
84 HZ2 TRP 11 HZ2 TRP 11 5.146 23.721 -6.484
85 HZ3 TRP 11 HZ3 TRP 11 2.039 23.155 -3.568
86 HH2 TRP 11 HH2 TRP 11 4.081 24.331 -4.312
87 H SER 12 H SER 12 0.784 17.339 -10.717
88 HA SER 12 HA SER 12 2.974 15.377 -10.315
89 1HB SER 12 1HB SER 12 1.095 15.939 -12.655
90 2HB SER 12 2HB SER 12 2.238 14.591 -12.564
91 HG SER 12 HG SER 12 0.483 14.921 -10.402
92 H GLY 13 H GLY 13 4.403 17.426 -10.004
93 1HA GLY 13 1HA GLY 13 5.925 17.938 -12.434
94 2HA GLY 13 2HA GLY 13 4.964 19.331 -11.894
95 H VAL 14 H VAL 14 7.242 20.210 -11.737
96 HA VAL 14 HA VAL 14 9.105 19.285 -9.859
97 HB VAL 14 HB VAL 14 8.644 22.122 -10.858
98 1HG1 VAL 14 1HG1 VAL 14 11.079 20.867 -9.514
99 2HG1 VAL 14 2HG1 VAL 14 11.059 22.455 -10.306
100 3HG1 VAL 14 3HG1 VAL 14 10.075 22.183 -8.867
101 1HG2 VAL 14 2HG2 VAL 14 10.496 19.902 -11.848
102 2HG2 VAL 14 3HG2 VAL 14 9.078 20.533 -12.713
103 3HG2 VAL 14 1HG2 VAL 14 10.483 21.570 -12.451
104 H CYS 15 H CYS 15 9.378 19.726 -7.634
105 HA CYS 15 HA CYS 15 6.897 20.044 -6.313
106 1HB CYS 15 1HB CYS 15 7.888 19.185 -4.498
107 2HB CYS 15 2HB CYS 15 9.275 18.916 -5.547
108 H GLY 16 H GLY 16 9.513 22.451 -6.614
109 1HA GLY 16 1HA GLY 16 9.494 24.699 -6.103
110 2HA GLY 16 2HA GLY 16 7.763 24.601 -5.773
111 H ASN 17 H ASN 17 7.709 22.768 -3.613
112 HA ASN 17 HA ASN 17 9.343 23.636 -1.421
113 1HB ASN 17 1HB ASN 17 8.257 25.810 -1.737
114 2HB ASN 17 2HB ASN 17 6.668 25.037 -1.799
115 1HD2 ASN 17 2HD2 ASN 17 8.541 25.620 1.825
116 2HD2 ASN 17 1HD2 ASN 17 9.435 25.807 0.330
117 H ASN 18 H ASN 18 9.096 22.209 0.199
118 HA ASN 18 HA ASN 18 7.608 19.906 0.165
119 1HB ASN 18 1HB ASN 18 9.594 20.527 1.596
120 2HB ASN 18 2HB ASN 18 8.533 21.439 2.646
121 1HD2 ASN 18 2HD2 ASN 18 8.775 17.462 3.088
122 2HD2 ASN 18 1HD2 ASN 18 9.845 18.335 2.014
123 H ASN 19 H ASN 19 6.905 22.607 2.295
124 HA ASN 19 HA ASN 19 4.526 21.584 3.375
125 1HB ASN 19 1HB ASN 19 5.711 23.425 4.423
126 2HB ASN 19 2HB ASN 19 5.344 24.501 3.063
127 1HD2 ASN 19 2HD2 ASN 19 2.087 25.266 4.235
128 2HD2 ASN 19 1HD2 ASN 19 3.328 25.571 3.033
129 H ALA 20 H ALA 20 4.885 23.887 0.630
130 HA ALA 20 HA ALA 20 2.111 24.169 0.084
131 1HB ALA 20 2HB ALA 20 3.865 25.616 -0.901
132 2HB ALA 20 3HB ALA 20 4.415 24.251 -1.902
133 3HB ALA 20 1HB ALA 20 2.788 24.928 -2.126
134 H CYS 21 H CYS 21 4.535 21.930 -1.378
135 HA CYS 21 HA CYS 21 2.881 20.464 -3.053
136 1HB CYS 21 1HB CYS 21 5.176 20.005 -3.195
137 2HB CYS 21 2HB CYS 21 5.349 19.774 -1.456
138 H LYS 22 H LYS 22 3.756 19.642 0.284
139 HA LYS 22 HA LYS 22 2.212 17.386 0.793
140 1HB LYS 22 1HB LYS 22 3.943 18.299 2.232
141 2HB LYS 22 2HB LYS 22 3.044 19.763 2.530
142 1HG LYS 22 1HG LYS 22 1.295 18.581 3.734
143 2HG LYS 22 2HG LYS 22 2.122 17.047 3.547
144 1HD LYS 22 1HD LYS 22 3.372 19.517 4.888
145 2HD LYS 22 2HD LYS 22 2.334 18.398 5.755
146 1HE LYS 22 1HE LYS 22 4.644 17.876 6.246
147 2HE LYS 22 2HE LYS 22 3.865 16.535 5.395
148 1HZ LYS 22 2HZ LYS 22 5.712 18.491 4.131
149 2HZ LYS 22 3HZ LYS 22 6.057 16.924 4.494
150 3HZ LYS 22 1HZ LYS 22 4.932 17.229 3.405
151 H ASN 23 H ASN 23 1.367 20.774 1.617
152 HA ASN 23 HA ASN 23 -1.231 20.276 2.537
153 1HB ASN 23 1HB ASN 23 -0.285 22.431 2.995
154 2HB ASN 23 2HB ASN 23 0.096 22.712 1.291
155 1HD2 ASN 23 2HD2 ASN 23 -2.824 24.614 0.896
156 2HD2 ASN 23 1HD2 ASN 23 -1.099 24.457 0.636
157 H GLN 24 H GLN 24 -0.332 21.591 -0.725
158 HA GLN 24 HA GLN 24 -2.973 21.516 -1.722
159 1HB GLN 24 1HB GLN 24 -0.284 21.309 -3.123
160 2HB GLN 24 2HB GLN 24 -1.836 21.418 -3.983
161 1HG GLN 24 1HG GLN 24 -2.345 23.557 -2.861
162 2HG GLN 24 2HG GLN 24 -0.834 23.458 -1.941
163 1HE2 GLN 24 2HE2 GLN 24 -0.221 24.003 -5.972
164 2HE2 GLN 24 1HE2 GLN 24 -1.271 22.699 -5.445
165 H CYS 25 H CYS 25 -0.478 18.891 -1.836
166 HA CYS 25 HA CYS 25 -2.041 17.148 -3.373
167 1HB CYS 25 1HB CYS 25 0.272 16.555 -2.720
168 2HB CYS 25 2HB CYS 25 -0.258 16.304 -1.062
169 H ILE 26 H ILE 26 -1.879 17.205 0.264
170 HA ILE 26 HA ILE 26 -3.995 15.169 0.305
171 HB ILE 26 HB ILE 26 -3.609 15.051 2.631
172 1HG1 ILE 26 1HG1 ILE 26 -2.287 17.780 2.444
173 2HG1 ILE 26 2HG1 ILE 26 -3.767 17.337 3.313
174 1HG2 ILE 26 2HG2 ILE 26 -1.797 14.202 1.152
175 2HG2 ILE 26 3HG2 ILE 26 -0.918 15.731 1.335
176 3HG2 ILE 26 1HG2 ILE 26 -1.187 14.707 2.723
177 1HD1 ILE 26 1HD1 ILE 26 -2.400 15.840 4.789
178 2HD1 ILE 26 2HD1 ILE 26 -0.935 16.518 4.030
179 3HD1 ILE 26 3HD1 ILE 26 -2.035 17.573 4.925
180 H ASN 27 H ASN 27 -3.915 18.600 0.282
181 HA ASN 27 HA ASN 27 -6.432 19.074 1.642
182 1HB ASN 27 1HB ASN 27 -4.569 20.641 1.545
183 2HB ASN 27 2HB ASN 27 -4.783 20.845 -0.214
184 1HD2 ASN 27 2HD2 ASN 27 -6.451 23.558 1.883
185 2HD2 ASN 27 1HD2 ASN 27 -4.855 22.804 1.982
186 H LEU 28 H LEU 28 -5.321 19.164 -1.824
187 HA LEU 28 HA LEU 28 -8.058 19.239 -2.804
188 1HB LEU 28 1HB LEU 28 -5.337 18.976 -4.105
189 2HB LEU 28 2HB LEU 28 -6.824 18.668 -4.989
190 HG LEU 28 HG LEU 28 -7.674 20.909 -4.502
191 1HD1 LEU 28 2HD1 LEU 28 -4.985 21.384 -3.144
192 2HD1 LEU 28 3HD1 LEU 28 -6.132 22.654 -3.605
193 3HD1 LEU 28 1HD1 LEU 28 -6.593 21.475 -2.382
194 1HD2 LEU 28 3HD2 LEU 28 -6.392 20.507 -6.554
195 2HD2 LEU 28 1HD2 LEU 28 -6.089 22.141 -5.948
196 3HD2 LEU 28 2HD2 LEU 28 -4.873 20.869 -5.702
197 H GLU 29 H GLU 29 -5.489 16.636 -3.192
198 HA GLU 29 HA GLU 29 -7.761 14.754 -3.578
199 1HB GLU 29 1HB GLU 29 -6.169 13.135 -4.314
200 2HB GLU 29 2HB GLU 29 -6.110 14.590 -5.291
201 1HG GLU 29 1HG GLU 29 -4.078 14.139 -3.076
202 2HG GLU 29 2HG GLU 29 -3.940 13.312 -4.632
203 HE1 GLU 29 HE2 GLU 29 -3.767 17.241 -5.256
204 H LYS 30 H LYS 30 -7.468 12.587 -2.426
205 HA LYS 30 HA LYS 30 -7.450 13.317 0.423
206 1HB LYS 30 1HB LYS 30 -8.958 11.454 -1.320
207 2HB LYS 30 2HB LYS 30 -8.666 10.889 0.318
208 1HG LYS 30 1HG LYS 30 -10.794 12.135 -0.026
209 2HG LYS 30 2HG LYS 30 -9.810 12.664 1.324
210 1HD LYS 30 1HD LYS 30 -9.473 14.167 -1.280
211 2HD LYS 30 2HD LYS 30 -11.013 14.306 -0.477
212 1HE LYS 30 1HE LYS 30 -10.312 15.760 1.014
213 2HE LYS 30 2HE LYS 30 -8.987 14.738 1.568
214 1HZ LYS 30 3HZ LYS 30 -8.724 16.365 -0.873
215 2HZ LYS 30 1HZ LYS 30 -8.431 17.005 0.577
216 3HZ LYS 30 2HZ LYS 30 -7.527 15.752 0.092
217 H ALA 31 H ALA 31 -4.975 12.457 -1.193
218 HA ALA 31 HA ALA 31 -3.718 10.215 -0.108
219 1HB ALA 31 3HB ALA 31 -2.770 11.768 -1.817
220 2HB ALA 31 1HB ALA 31 -2.650 13.028 -0.584
221 3HB ALA 31 2HB ALA 31 -1.663 11.553 -0.436
222 H ARG 32 H ARG 32 -2.014 10.169 1.668
223 HA ARG 32 HA ARG 32 -3.257 11.261 4.134
224 1HB ARG 32 1HB ARG 32 -0.966 9.301 3.723
225 2HB ARG 32 2HB ARG 32 -1.623 9.755 5.297
226 1HG ARG 32 1HG ARG 32 -3.260 8.402 3.123
227 2HG ARG 32 2HG ARG 32 -2.312 7.513 4.293
228 1HD ARG 32 1HD ARG 32 -4.602 7.540 5.086
229 2HD ARG 32 2HD ARG 32 -3.547 8.421 6.178
230 HE ARG 32 HE ARG 32 -4.792 10.288 5.869
231 1HH1 ARG 32 2HH1 ARG 32 -5.483 8.145 3.144
232 2HH1 ARG 32 1HH1 ARG 32 -6.218 9.422 2.180
233 1HH2 ARG 32 1HH2 ARG 32 -5.854 11.939 4.575
234 2HH2 ARG 32 2HH2 ARG 32 -6.351 11.504 2.964
235 H HIS 33 H HIS 33 0.184 10.980 3.263
236 HA HIS 33 HA HIS 33 0.507 13.816 4.095
237 1HB HIS 33 2HB HIS 33 2.868 13.267 4.661
238 2HB HIS 33 1HB HIS 33 1.637 12.668 5.766
239 HD1 HIS 33 HD1 HIS 33 1.120 10.082 5.766
240 HD2 HIS 33 HD2 HIS 33 4.560 11.268 3.692
241 HE1 HIS 33 HE1 HIS 33 2.556 8.020 5.454
242 H GLY 34 H GLY 34 2.409 14.799 2.990
243 1HA GLY 34 1HA GLY 34 3.357 13.658 0.558
244 2HA GLY 34 2HA GLY 34 2.357 15.105 0.270
245 H SER 35 H SER 35 5.113 15.090 -0.350
246 HA SER 35 HA SER 35 6.233 17.191 1.258
247 1HB SER 35 1HB SER 35 7.267 14.336 1.653
248 2HB SER 35 2HB SER 35 8.302 15.734 1.902
249 HG SER 35 HG SER 35 5.870 15.152 3.225
250 H CYS 36 H CYS 36 8.304 17.817 0.441
251 HA CYS 36 HA CYS 36 8.578 17.290 -2.454
252 1HB CYS 36 1HB CYS 36 8.590 19.583 -1.748
253 2HB CYS 36 2HB CYS 36 9.911 19.280 -0.588
254 H ASN 37 H ASN 37 10.052 15.867 -3.170
255 HA ASN 37 HA ASN 37 12.328 14.973 -1.437
256 1HB ASN 37 1HB ASN 37 10.980 13.097 -2.172
257 2HB ASN 37 2HB ASN 37 10.891 13.760 -3.820
258 1HD2 ASN 37 2HD2 ASN 37 14.467 12.078 -2.638
259 2HD2 ASN 37 1HD2 ASN 37 13.366 12.688 -1.421
260 H TYR 38 H TYR 38 14.443 14.972 -2.434
261 HA TYR 38 HA TYR 38 14.640 16.455 -4.984
262 1HB TYR 38 1HB TYR 38 15.208 17.849 -2.980
263 2HB TYR 38 2HB TYR 38 16.545 16.756 -2.642
264 HD1 TYR 38 HD1 TYR 38 15.167 18.545 -5.676
265 HD2 TYR 38 HD2 TYR 38 18.671 17.540 -3.387
266 HE1 TYR 38 HE1 TYR 38 16.587 19.307 -7.533
267 HE2 TYR 38 HE2 TYR 38 20.099 18.288 -5.271
268 HH TYR 38 HH TYR 38 18.690 19.027 -8.460
269 H VAL 39 H VAL 39 14.504 13.723 -5.179
270 HA VAL 39 HA VAL 39 17.251 12.757 -5.601
271 HB VAL 39 HB VAL 39 14.519 11.929 -6.675
272 1HG1 VAL 39 1HG1 VAL 39 17.236 10.738 -7.385
273 2HG1 VAL 39 2HG1 VAL 39 15.672 9.958 -7.688
274 3HG1 VAL 39 3HG1 VAL 39 16.067 11.466 -8.510
275 1HG2 VAL 39 2HG2 VAL 39 15.181 11.303 -4.313
276 2HG2 VAL 39 3HG2 VAL 39 14.929 9.905 -5.368
277 3HG2 VAL 39 1HG2 VAL 39 16.576 10.442 -4.972
278 H PHE 40 H PHE 40 18.387 12.975 -7.653
279 HA PHE 40 HA PHE 40 18.184 15.506 -8.814
280 1HB PHE 40 1HB PHE 40 19.924 14.749 -10.322
281 2HB PHE 40 2HB PHE 40 20.195 14.010 -8.766
282 HD1 PHE 40 HD2 PHE 40 19.880 11.537 -8.479
283 HD2 PHE 40 HD1 PHE 40 19.268 13.472 -12.295
284 HE1 PHE 40 HE2 PHE 40 19.741 9.330 -9.587
285 HE2 PHE 40 HE1 PHE 40 19.146 11.258 -13.389
286 HZ PHE 40 HZ PHE 40 19.366 9.184 -12.039
287 HA PRO 41 HA PRO 41 18.751 16.500 -10.868
288 1HB PRO 41 1HB PRO 41 17.918 17.993 -12.930
289 2HB PRO 41 2HB PRO 41 18.710 16.410 -13.180
290 1HG PRO 41 1HG PRO 41 15.748 17.020 -13.280
291 2HG PRO 41 2HG PRO 41 16.718 16.052 -14.415
292 1HD PRO 41 1HD PRO 41 15.249 14.939 -12.333
293 2HD PRO 41 2HD PRO 41 16.726 14.197 -12.994
294 H ALA 42 H ALA 42 15.216 16.943 -11.231
295 HA ALA 42 HA ALA 42 15.319 19.469 -9.661
296 1HB ALA 42 3HB ALA 42 14.478 19.632 -11.971
297 2HB ALA 42 1HB ALA 42 13.231 18.417 -11.608
298 3HB ALA 42 2HB ALA 42 13.208 19.991 -10.786
299 H HIS 43 H HIS 43 13.554 19.915 -8.273
300 HA HIS 43 HA HIS 43 13.104 17.957 -6.274
301 1HB HIS 43 2HB HIS 43 11.707 20.640 -6.803
302 2HB HIS 43 1HB HIS 43 11.618 19.695 -5.338
303 HD1 HIS 43 HD1 HIS 43 13.377 20.021 -3.559
304 HD2 HIS 43 HD2 HIS 43 14.406 21.780 -7.227
305 HE1 HIS 43 HE1 HIS 43 15.479 21.391 -3.181
306 H LYS 44 H LYS 44 11.295 16.730 -5.728
307 HA LYS 44 HA LYS 44 9.129 16.533 -7.802
308 1HB LYS 44 1HB LYS 44 10.468 14.331 -6.184
309 2HB LYS 44 2HB LYS 44 9.185 14.124 -7.392
310 1HG LYS 44 1HG LYS 44 10.680 15.003 -9.151
311 2HG LYS 44 2HG LYS 44 11.940 15.298 -7.932
312 1HD LYS 44 1HD LYS 44 12.108 12.912 -7.422
313 2HD LYS 44 2HD LYS 44 10.816 12.548 -8.570
314 1HE LYS 44 1HE LYS 44 13.087 12.129 -9.522
315 2HE LYS 44 2HE LYS 44 12.160 13.307 -10.461
316 1HZ LYS 44 2HZ LYS 44 14.218 14.048 -8.467
317 2HZ LYS 44 3HZ LYS 44 14.509 13.910 -10.043
318 3HZ LYS 44 1HZ LYS 44 13.481 15.079 -9.467
319 H CYS 45 H CYS 45 7.115 16.910 -6.977
320 HA CYS 45 HA CYS 45 6.695 17.024 -4.080
321 1HB CYS 45 1HB CYS 45 5.511 18.629 -5.443
322 2HB CYS 45 2HB CYS 45 4.811 17.353 -6.448
323 H ILE 46 H ILE 46 6.954 14.942 -3.209
324 HA ILE 46 HA ILE 46 5.598 12.645 -4.509
325 HB ILE 46 HB ILE 46 7.242 12.763 -1.962
326 1HG1 ILE 46 1HG1 ILE 46 8.678 13.339 -3.806
327 2HG1 ILE 46 2HG1 ILE 46 9.042 11.705 -3.256
328 1HG2 ILE 46 1HG2 ILE 46 6.164 10.400 -3.568
329 2HG2 ILE 46 2HG2 ILE 46 7.364 10.276 -2.266
330 3HG2 ILE 46 3HG2 ILE 46 5.739 10.856 -1.918
331 1HD1 ILE 46 2HD1 ILE 46 7.746 10.793 -5.205
332 2HD1 ILE 46 3HD1 ILE 46 7.482 12.461 -5.770
333 3HD1 ILE 46 1HD1 ILE 46 9.120 11.804 -5.678
334 H CYS 47 H CYS 47 3.769 11.654 -3.668
335 HA CYS 47 HA CYS 47 2.740 12.641 -1.100
336 1HB CYS 47 1HB CYS 47 1.768 13.937 -3.071
337 2HB CYS 47 2HB CYS 47 0.962 12.419 -3.510
338 H TYR 48 H TYR 48 1.389 11.139 -0.005
339 HA TYR 48 HA TYR 48 1.956 8.343 -0.943
340 1HB TYR 48 1HB TYR 48 1.944 9.493 1.852
341 2HB TYR 48 2HB TYR 48 2.320 7.835 1.368
342 HD1 TYR 48 HD1 TYR 48 3.529 11.354 1.175
343 HD2 TYR 48 HD2 TYR 48 4.488 7.196 0.583
344 HE1 TYR 48 HE1 TYR 48 5.921 11.943 0.937
345 HE2 TYR 48 HE2 TYR 48 6.884 7.782 0.387
346 HH TYR 48 HH TYR 48 8.454 9.475 0.461
347 H PHE 49 H PHE 49 0.163 7.252 -1.495
348 HA PHE 49 HA PHE 49 -2.445 8.118 -0.373
349 1HB PHE 49 1HB PHE 49 -1.959 6.129 -2.579
350 2HB PHE 49 2HB PHE 49 -3.421 6.996 -2.239
351 HD1 PHE 49 HD2 PHE 49 -1.494 9.760 -2.042
352 HD2 PHE 49 HD1 PHE 49 -2.628 6.763 -4.927
353 HE1 PHE 49 HE2 PHE 49 -1.023 11.340 -3.870
354 HE2 PHE 49 HE1 PHE 49 -2.273 8.390 -6.742
355 HZ PHE 49 HZ PHE 49 -1.278 10.623 -6.244
356 HA PRO 50 HA PRO 50 -2.541 4.153 1.876
357 1HB PRO 50 1HB PRO 50 -5.220 3.685 2.050
358 2HB PRO 50 2HB PRO 50 -4.433 4.995 2.978
359 1HG PRO 50 1HG PRO 50 -5.911 5.220 0.341
360 2HG PRO 50 2HG PRO 50 -6.121 6.235 1.793
361 1HD PRO 50 1HD PRO 50 -4.516 6.943 -0.347
362 2HD PRO 50 2HD PRO 50 -4.106 7.424 1.325
363 H CYS 51 H CYS 51 -2.408 1.998 1.030
364 HA CYS 51 HA CYS 51 -3.931 1.163 -1.264
365 1HB CYS 51 1HB CYS 51 -2.280 1.184 -2.935
366 2HB CYS 51 2HB CYS 51 -2.016 2.725 -2.160
No H/Q in entry = 366
Start of MODEL 6
1 HA PCA 1 HA PYR 1 -1.808 -1.698 2.188
2 1HB PCA 1 1HB PYR 1 0.256 -2.990 3.624
3 2HB PCA 1 2HB PYR 1 -1.336 -3.683 3.214
4 1HG PCA 1 1HG PYR 1 1.294 -4.222 1.903
5 2HG PCA 1 2HG PYR 1 -0.173 -5.244 1.968
6 HN PCA 1 HN PYR 1 -1.050 -1.947 -0.213
7 H LYS 2 H LYS 2 1.555 -1.799 1.023
8 HA LYS 2 HA LYS 2 2.689 0.150 2.682
9 1HB LYS 2 1HB LYS 2 4.401 0.405 0.961
10 2HB LYS 2 2HB LYS 2 4.023 -1.296 1.238
11 1HG LYS 2 1HG LYS 2 2.672 -1.393 -0.794
12 2HG LYS 2 2HG LYS 2 2.872 0.326 -1.096
13 1HD LYS 2 1HD LYS 2 5.148 -1.711 -0.970
14 2HD LYS 2 2HD LYS 2 4.342 -1.248 -2.463
15 1HE LYS 2 1HE LYS 2 5.941 0.644 -0.658
16 2HE LYS 2 2HE LYS 2 6.514 -0.089 -2.156
17 1HZ LYS 2 3HZ LYS 2 4.240 1.762 -1.946
18 2HZ LYS 2 1HZ LYS 2 5.701 2.192 -2.461
19 3HZ LYS 2 2HZ LYS 2 4.816 1.123 -3.352
20 H LEU 3 H LEU 3 3.409 2.371 2.126
21 HA LEU 3 HA LEU 3 1.298 4.046 1.119
22 1HB LEU 3 1HB LEU 3 4.236 4.640 1.380
23 2HB LEU 3 2HB LEU 3 2.975 5.846 1.174
24 HG LEU 3 HG LEU 3 3.155 4.024 3.623
25 1HD1 LEU 3 2HD1 LEU 3 4.138 6.879 3.213
26 2HD1 LEU 3 3HD1 LEU 3 4.099 6.010 4.762
27 3HD1 LEU 3 1HD1 LEU 3 5.155 5.448 3.456
28 1HD2 LEU 3 1HD2 LEU 3 1.567 6.568 3.042
29 2HD2 LEU 3 2HD2 LEU 3 0.907 4.925 3.232
30 3HD2 LEU 3 3HD2 LEU 3 1.651 5.736 4.611
31 H CYS 4 H CYS 4 1.245 5.142 -0.885
32 HA CYS 4 HA CYS 4 3.005 4.106 -3.097
33 1HB CYS 4 1HB CYS 4 0.192 5.184 -3.066
34 2HB CYS 4 2HB CYS 4 1.253 5.603 -4.416
35 H GLU 5 H GLU 5 4.788 5.342 -3.097
36 HA GLU 5 HA GLU 5 4.798 8.106 -2.205
37 1HB GLU 5 1HB GLU 5 6.977 6.740 -3.843
38 2HB GLU 5 2HB GLU 5 7.100 8.061 -2.683
39 1HG GLU 5 1HG GLU 5 7.798 6.410 -1.294
40 2HG GLU 5 2HG GLU 5 6.077 6.121 -1.040
41 HE2 GLU 5 HE2 GLU 5 8.451 3.497 -3.003
42 H ARG 6 H ARG 6 2.995 8.670 -3.577
43 HA ARG 6 HA ARG 6 2.774 8.299 -6.363
44 1HB ARG 6 1HB ARG 6 0.906 8.756 -4.887
45 2HB ARG 6 2HB ARG 6 1.534 10.360 -4.532
46 1HG ARG 6 1HG ARG 6 1.299 10.142 -7.403
47 2HG ARG 6 2HG ARG 6 -0.164 9.490 -6.705
48 1HD ARG 6 1HD ARG 6 -0.545 11.780 -7.142
49 2HD ARG 6 2HD ARG 6 -0.463 11.629 -5.386
50 HE ARG 6 HE ARG 6 2.141 12.283 -6.275
51 1HH1 ARG 6 2HH1 ARG 6 -1.033 13.828 -6.095
52 2HH1 ARG 6 1HH1 ARG 6 -0.481 15.418 -6.481
53 1HH2 ARG 6 2HH2 ARG 6 2.971 14.336 -6.703
54 2HH2 ARG 6 1HH2 ARG 6 1.960 15.687 -6.979
55 HA PRO 7 HA PRO 7 5.464 11.856 -7.492
56 1HB PRO 7 1HB PRO 7 5.911 11.181 -10.113
57 2HB PRO 7 2HB PRO 7 6.817 10.492 -8.743
58 1HG PRO 7 1HG PRO 7 4.664 9.166 -10.352
59 2HG PRO 7 2HG PRO 7 6.077 8.463 -9.545
60 1HD PRO 7 1HD PRO 7 3.413 8.552 -8.552
61 2HD PRO 7 2HD PRO 7 4.872 8.089 -7.640
62 H SER 8 H SER 8 3.533 10.743 -10.295
63 HA SER 8 HA SER 8 2.423 13.364 -10.625
64 1HB SER 8 1HB SER 8 1.854 10.804 -12.162
65 2HB SER 8 2HB SER 8 1.597 12.470 -12.718
66 HG SER 8 HG SER 8 3.596 11.586 -13.479
67 H GLY 9 H GLY 9 0.248 13.925 -10.791
68 1HA GLY 9 1HA GLY 9 -2.012 12.412 -10.711
69 2HA GLY 9 2HA GLY 9 -1.693 12.712 -8.987
70 H THR 10 H THR 10 -1.602 14.897 -8.225
71 HA THR 10 HA THR 10 -2.930 16.963 -9.873
72 HB THR 10 HB THR 10 -2.649 18.250 -7.681
73 HG1 THR 10 HG1 THR 10 -2.357 16.563 -5.913
74 1HG2 THR 10 1HG2 THR 10 -4.738 17.078 -8.310
75 2HG2 THR 10 2HG2 THR 10 -4.160 15.621 -7.465
76 3HG2 THR 10 3HG2 THR 10 -4.463 17.128 -6.569
77 H TRP 11 H TRP 11 -0.445 17.685 -7.586
78 HA TRP 11 HA TRP 11 1.106 19.265 -9.443
79 1HB TRP 11 1HB TRP 11 0.774 19.670 -7.010
80 2HB TRP 11 2HB TRP 11 1.790 18.288 -6.645
81 HD1 TRP 11 HD1 TRP 11 4.023 19.314 -9.037
82 HE1 TRP 11 HE1 TRP 11 5.588 21.239 -8.377
83 HE3 TRP 11 HE3 TRP 11 1.385 21.157 -5.083
84 HZ2 TRP 11 HZ2 TRP 11 5.624 23.381 -6.419
85 HZ3 TRP 11 HZ3 TRP 11 2.229 23.095 -3.810
86 HH2 TRP 11 HH2 TRP 11 4.405 24.119 -4.381
87 H SER 12 H SER 12 1.674 17.841 -11.079
88 HA SER 12 HA SER 12 3.293 15.433 -10.462
89 1HB SER 12 1HB SER 12 2.040 16.377 -13.081
90 2HB SER 12 2HB SER 12 2.683 14.771 -12.711
91 HG SER 12 HG SER 12 0.403 16.081 -11.573
92 H GLY 13 H GLY 13 5.064 17.216 -9.828
93 1HA GLY 13 1HA GLY 13 7.049 17.208 -11.851
94 2HA GLY 13 2HA GLY 13 6.201 18.766 -11.907
95 H VAL 14 H VAL 14 8.369 19.526 -11.430
96 HA VAL 14 HA VAL 14 9.714 19.146 -8.961
97 HB VAL 14 HB VAL 14 9.741 21.520 -10.863
98 1HG1 VAL 14 2HG1 VAL 14 11.676 20.703 -8.660
99 2HG1 VAL 14 3HG1 VAL 14 12.017 21.930 -9.894
100 3HG1 VAL 14 1HG1 VAL 14 10.717 22.199 -8.735
101 1HG2 VAL 14 3HG2 VAL 14 11.547 19.061 -10.668
102 2HG2 VAL 14 1HG2 VAL 14 10.419 19.410 -11.996
103 3HG2 VAL 14 2HG2 VAL 14 11.822 20.451 -11.739
104 H CYS 15 H CYS 15 9.746 20.457 -7.126
105 HA CYS 15 HA CYS 15 7.143 21.802 -6.555
106 1HB CYS 15 1HB CYS 15 7.441 20.842 -4.247
107 2HB CYS 15 2HB CYS 15 7.105 19.720 -5.564
108 H GLY 16 H GLY 16 10.533 21.630 -5.397
109 1HA GLY 16 1HA GLY 16 11.752 23.060 -4.103
110 2HA GLY 16 2HA GLY 16 11.034 24.343 -5.083
111 H ASN 17 H ASN 17 8.848 22.425 -3.050
112 HA ASN 17 HA ASN 17 9.119 24.063 -0.708
113 1HB ASN 17 1HB ASN 17 8.010 25.729 -2.254
114 2HB ASN 17 2HB ASN 17 6.617 24.648 -2.327
115 1HD2 ASN 17 2HD2 ASN 17 7.409 26.880 1.045
116 2HD2 ASN 17 1HD2 ASN 17 8.540 26.814 -0.296
117 H ASN 18 H ASN 18 8.891 22.436 0.689
118 HA ASN 18 HA ASN 18 7.439 20.106 0.405
119 1HB ASN 18 1HB ASN 18 9.267 20.650 2.066
120 2HB ASN 18 2HB ASN 18 8.095 21.533 3.032
121 1HD2 ASN 18 2HD2 ASN 18 8.044 17.451 2.991
122 2HD2 ASN 18 1HD2 ASN 18 9.271 18.362 2.110
123 H ASN 19 H ASN 19 6.563 22.769 2.434
124 HA ASN 19 HA ASN 19 4.111 21.956 3.430
125 1HB ASN 19 1HB ASN 19 5.214 23.915 4.297
126 2HB ASN 19 2HB ASN 19 5.045 24.773 2.759
127 1HD2 ASN 19 2HD2 ASN 19 1.743 25.859 3.430
128 2HD2 ASN 19 1HD2 ASN 19 3.100 25.880 2.319
129 H ALA 20 H ALA 20 4.600 23.938 0.472
130 HA ALA 20 HA ALA 20 1.808 24.095 -0.147
131 1HB ALA 20 3HB ALA 20 3.480 25.645 -1.100
132 2HB ALA 20 1HB ALA 20 4.178 24.306 -2.044
133 3HB ALA 20 2HB ALA 20 2.515 24.856 -2.355
134 H CYS 21 H CYS 21 4.419 21.908 -1.391
135 HA CYS 21 HA CYS 21 2.836 20.384 -3.129
136 1HB CYS 21 1HB CYS 21 5.158 19.998 -3.202
137 2HB CYS 21 2HB CYS 21 5.260 19.692 -1.464
138 H LYS 22 H LYS 22 3.589 19.732 0.276
139 HA LYS 22 HA LYS 22 2.059 17.463 0.809
140 1HB LYS 22 1HB LYS 22 3.671 18.503 2.330
141 2HB LYS 22 2HB LYS 22 2.656 19.922 2.527
142 1HG LYS 22 1HG LYS 22 0.850 18.502 3.539
143 2HG LYS 22 2HG LYS 22 1.921 17.132 3.460
144 1HD LYS 22 1HD LYS 22 1.943 19.607 5.180
145 2HD LYS 22 2HD LYS 22 2.157 17.938 5.690
146 1HE LYS 22 1HE LYS 22 4.198 19.765 4.315
147 2HE LYS 22 2HE LYS 22 4.212 19.281 6.004
148 1HZ LYS 22 2HZ LYS 22 4.472 17.351 3.792
149 2HZ LYS 22 3HZ LYS 22 5.740 18.108 4.494
150 3HZ LYS 22 1HZ LYS 22 4.784 17.093 5.390
151 H ASN 23 H ASN 23 1.123 20.871 1.388
152 HA ASN 23 HA ASN 23 -1.451 20.347 2.269
153 1HB ASN 23 1HB ASN 23 -0.333 22.512 2.534
154 2HB ASN 23 2HB ASN 23 -0.368 22.809 0.795
155 1HD2 ASN 23 2HD2 ASN 23 -3.228 24.497 2.771
156 2HD2 ASN 23 1HD2 ASN 23 -1.544 24.263 3.209
157 H GLN 24 H GLN 24 -0.453 21.486 -1.016
158 HA GLN 24 HA GLN 24 -2.982 21.304 -2.214
159 1HB GLN 24 1HB GLN 24 -0.195 21.021 -3.381
160 2HB GLN 24 2HB GLN 24 -1.682 21.007 -4.355
161 1HG GLN 24 1HG GLN 24 -2.331 23.223 -3.464
162 2HG GLN 24 2HG GLN 24 -0.883 23.263 -2.449
163 1HE2 GLN 24 2HE2 GLN 24 -0.057 23.426 -6.484
164 2HE2 GLN 24 1HE2 GLN 24 -1.090 22.143 -5.877
165 H CYS 25 H CYS 25 -0.495 18.665 -1.859
166 HA CYS 25 HA CYS 25 -1.974 16.833 -3.382
167 1HB CYS 25 1HB CYS 25 0.245 16.214 -2.629
168 2HB CYS 25 2HB CYS 25 -0.314 16.124 -0.954
169 H ILE 26 H ILE 26 -1.999 17.165 0.204
170 HA ILE 26 HA ILE 26 -4.105 15.196 0.476
171 HB ILE 26 HB ILE 26 -3.889 15.496 2.811
172 1HG1 ILE 26 1HG1 ILE 26 -2.446 18.107 2.267
173 2HG1 ILE 26 2HG1 ILE 26 -4.033 17.891 3.027
174 1HG2 ILE 26 3HG2 ILE 26 -2.011 14.380 1.622
175 2HG2 ILE 26 1HG2 ILE 26 -1.121 15.908 1.572
176 3HG2 ILE 26 2HG2 ILE 26 -1.485 15.157 3.112
177 1HD1 ILE 26 1HD1 ILE 26 -2.914 16.614 4.879
178 2HD1 ILE 26 2HD1 ILE 26 -1.345 17.105 4.191
179 3HD1 ILE 26 3HD1 ILE 26 -2.480 18.331 4.767
180 H ASN 27 H ASN 27 -4.105 18.543 -0.124
181 HA ASN 27 HA ASN 27 -6.781 19.138 0.846
182 1HB ASN 27 1HB ASN 27 -4.918 20.702 0.810
183 2HB ASN 27 2HB ASN 27 -4.851 20.642 -0.968
184 1HD2 ASN 27 2HD2 ASN 27 -6.616 23.714 0.141
185 2HD2 ASN 27 1HD2 ASN 27 -5.030 22.989 0.441
186 H LEU 28 H LEU 28 -5.267 18.975 -2.478
187 HA LEU 28 HA LEU 28 -7.849 19.046 -3.752
188 1HB LEU 28 1HB LEU 28 -5.018 18.593 -4.718
189 2HB LEU 28 2HB LEU 28 -6.403 18.327 -5.765
190 HG LEU 28 HG LEU 28 -7.170 20.593 -5.561
191 1HD1 LEU 28 3HD1 LEU 28 -4.778 21.082 -3.740
192 2HD1 LEU 28 1HD1 LEU 28 -5.792 22.344 -4.457
193 3HD1 LEU 28 2HD1 LEU 28 -6.495 21.221 -3.292
194 1HD2 LEU 28 1HD2 LEU 28 -5.497 20.011 -7.289
195 2HD2 LEU 28 2HD2 LEU 28 -5.315 21.691 -6.755
196 3HD2 LEU 28 3HD2 LEU 28 -4.185 20.449 -6.171
197 H GLU 29 H GLU 29 -5.636 16.373 -2.906
198 HA GLU 29 HA GLU 29 -7.820 14.484 -3.645
199 1HB GLU 29 1HB GLU 29 -6.349 12.693 -4.009
200 2HB GLU 29 2HB GLU 29 -6.021 13.962 -5.170
201 1HG GLU 29 1HG GLU 29 -4.243 13.839 -2.729
202 2HG GLU 29 2HG GLU 29 -4.156 12.521 -3.891
203 HE1 GLU 29 HE2 GLU 29 -4.052 15.980 -3.865
204 H LYS 30 H LYS 30 -7.419 12.438 -2.051
205 HA LYS 30 HA LYS 30 -7.665 13.773 0.591
206 1HB LYS 30 1HB LYS 30 -8.799 11.175 -0.443
207 2HB LYS 30 2HB LYS 30 -9.060 11.838 1.174
208 1HG LYS 30 1HG LYS 30 -9.931 13.148 -1.446
209 2HG LYS 30 2HG LYS 30 -10.928 12.319 -0.269
210 1HD LYS 30 1HD LYS 30 -11.368 14.330 0.523
211 2HD LYS 30 2HD LYS 30 -9.884 14.154 1.429
212 1HE LYS 30 1HE LYS 30 -9.523 15.363 -1.314
213 2HE LYS 30 2HE LYS 30 -10.673 16.227 -0.311
214 1HZ LYS 30 1HZ LYS 30 -8.904 16.391 1.404
215 2HZ LYS 30 2HZ LYS 30 -7.810 15.841 0.296
216 3HZ LYS 30 3HZ LYS 30 -8.640 17.183 -0.004
217 H ALA 31 H ALA 31 -5.095 12.626 -0.696
218 HA ALA 31 HA ALA 31 -4.054 10.493 0.703
219 1HB ALA 31 1HB ALA 31 -2.752 13.111 -0.138
220 2HB ALA 31 2HB ALA 31 -1.849 11.671 0.339
221 3HB ALA 31 3HB ALA 31 -2.887 11.635 -1.113
222 H ARG 32 H ARG 32 -2.299 10.514 2.387
223 HA ARG 32 HA ARG 32 -3.280 11.936 4.784
224 1HB ARG 32 1HB ARG 32 -1.238 9.698 4.474
225 2HB ARG 32 2HB ARG 32 -1.803 10.351 6.012
226 1HG ARG 32 1HG ARG 32 -3.607 8.942 3.995
227 2HG ARG 32 2HG ARG 32 -2.720 8.126 5.269
228 1HD ARG 32 1HD ARG 32 -4.989 8.415 6.042
229 2HD ARG 32 2HD ARG 32 -3.856 9.321 7.033
230 HE ARG 32 HE ARG 32 -4.986 11.220 6.557
231 1HH1 ARG 32 2HH2 ARG 32 -5.793 8.907 3.995
232 2HH1 ARG 32 1HH2 ARG 32 -6.492 10.142 2.956
233 1HH2 ARG 32 1HH1 ARG 32 -6.012 12.804 5.166
234 2HH2 ARG 32 2HH1 ARG 32 -6.525 12.278 3.587
235 H HIS 33 H HIS 33 0.067 11.234 3.532
236 HA HIS 33 HA HIS 33 0.727 14.002 4.379
237 1HB HIS 33 2HB HIS 33 3.030 13.318 4.837
238 2HB HIS 33 1HB HIS 33 1.827 12.726 5.971
239 HD1 HIS 33 HD1 HIS 33 0.961 10.084 5.213
240 HD2 HIS 33 HD2 HIS 33 4.895 11.355 4.554
241 HE1 HIS 33 HE1 HIS 33 2.407 8.010 5.080
242 H GLY 34 H GLY 34 2.647 14.865 3.198
243 1HA GLY 34 1HA GLY 34 3.280 13.785 0.642
244 2HA GLY 34 2HA GLY 34 2.281 15.238 0.490
245 H SER 35 H SER 35 5.084 15.106 -0.352
246 HA SER 35 HA SER 35 6.168 17.340 1.155
247 1HB SER 35 1HB SER 35 7.212 14.512 1.611
248 2HB SER 35 2HB SER 35 8.352 15.851 1.595
249 HG SER 35 HG SER 35 6.017 15.662 3.186
250 H CYS 36 H CYS 36 7.885 18.254 0.198
251 HA CYS 36 HA CYS 36 8.279 17.716 -2.657
252 1HB CYS 36 1HB CYS 36 8.026 19.998 -1.839
253 2HB CYS 36 2HB CYS 36 9.425 19.807 -0.754
254 H ASN 37 H ASN 37 9.037 15.490 -1.922
255 HA ASN 37 HA ASN 37 11.480 15.213 -0.459
256 1HB ASN 37 1HB ASN 37 9.661 13.455 -0.934
257 2HB ASN 37 2HB ASN 37 10.465 13.185 -2.489
258 1HD2 ASN 37 2HD2 ASN 37 13.316 11.581 -0.903
259 2HD2 ASN 37 1HD2 ASN 37 12.889 12.434 -2.363
260 H TYR 38 H TYR 38 13.636 14.731 -1.238
261 HA TYR 38 HA TYR 38 14.354 16.069 -3.701
262 1HB TYR 38 1HB TYR 38 15.994 15.923 -1.899
263 2HB TYR 38 2HB TYR 38 16.020 14.159 -2.043
264 HD1 TYR 38 HD2 TYR 38 16.817 17.359 -3.794
265 HD2 TYR 38 HD1 TYR 38 17.198 13.070 -3.910
266 HE1 TYR 38 HE2 TYR 38 17.876 17.513 -6.024
267 HE2 TYR 38 HE1 TYR 38 18.249 13.233 -6.149
268 HH TYR 38 HH TYR 38 18.413 16.307 -7.957
269 H VAL 39 H VAL 39 14.452 15.238 -5.683
270 HA VAL 39 HA VAL 39 14.897 12.497 -6.302
271 HB VAL 39 HB VAL 39 12.351 13.817 -7.382
272 1HG1 VAL 39 2HG1 VAL 39 13.562 11.036 -7.753
273 2HG1 VAL 39 3HG1 VAL 39 11.929 11.474 -8.277
274 3HG1 VAL 39 1HG1 VAL 39 13.317 12.271 -9.010
275 1HG2 VAL 39 2HG2 VAL 39 12.553 11.551 -5.359
276 2HG2 VAL 39 3HG2 VAL 39 11.818 13.157 -5.099
277 3HG2 VAL 39 1HG2 VAL 39 11.079 12.018 -6.214
278 H PHE 40 H PHE 40 15.484 12.544 -8.723
279 HA PHE 40 HA PHE 40 16.821 14.932 -9.464
280 1HB PHE 40 1HB PHE 40 17.309 13.906 -11.491
281 2HB PHE 40 2HB PHE 40 17.179 12.557 -10.390
282 HD1 PHE 40 HD2 PHE 40 15.193 10.991 -10.577
283 HD2 PHE 40 HD1 PHE 40 15.775 14.276 -13.321
284 HE1 PHE 40 HE2 PHE 40 13.596 9.961 -12.162
285 HE2 PHE 40 HE1 PHE 40 14.175 13.243 -14.895
286 HZ PHE 40 HZ PHE 40 13.099 11.072 -14.333
287 HA PRO 41 HA PRO 41 17.218 16.298 -11.246
288 1HB PRO 41 1HB PRO 41 16.915 18.841 -12.075
289 2HB PRO 41 2HB PRO 41 16.527 17.435 -13.115
290 1HG PRO 41 1HG PRO 41 14.579 19.142 -11.550
291 2HG PRO 41 2HG PRO 41 14.466 18.599 -13.241
292 1HD PRO 41 1HD PRO 41 13.241 17.263 -11.136
293 2HD PRO 41 2HD PRO 41 13.800 16.441 -12.617
294 H ALA 42 H ALA 42 14.731 18.345 -9.639
295 HA ALA 42 HA ALA 42 16.521 18.855 -7.332
296 1HB ALA 42 1HB ALA 42 15.268 21.040 -9.039
297 2HB ALA 42 2HB ALA 42 16.112 21.269 -7.491
298 3HB ALA 42 3HB ALA 42 17.007 20.678 -8.906
299 H HIS 43 H HIS 43 14.738 17.172 -6.908
300 HA HIS 43 HA HIS 43 13.100 16.681 -5.435
301 1HB HIS 43 2HB HIS 43 12.349 19.628 -5.208
302 2HB HIS 43 1HB HIS 43 11.769 18.285 -4.258
303 HD1 HIS 43 HD1 HIS 43 12.702 18.123 -2.027
304 HD2 HIS 43 HD2 HIS 43 15.421 19.841 -4.721
305 HE1 HIS 43 HE1 HIS 43 14.816 18.672 -0.730
306 H LYS 44 H LYS 44 10.820 16.285 -5.435
307 HA LYS 44 HA LYS 44 9.237 17.347 -7.680
308 1HB LYS 44 1HB LYS 44 9.918 14.410 -7.290
309 2HB LYS 44 2HB LYS 44 8.440 14.936 -8.114
310 1HG LYS 44 1HG LYS 44 9.688 16.119 -9.813
311 2HG LYS 44 2HG LYS 44 11.231 15.775 -9.004
312 1HD LYS 44 1HD LYS 44 11.027 13.434 -9.341
313 2HD LYS 44 2HD LYS 44 9.378 13.567 -9.963
314 1HE LYS 44 1HE LYS 44 10.055 14.205 -12.068
315 2HE LYS 44 2HE LYS 44 11.348 15.240 -11.451
316 1HZ LYS 44 2HZ LYS 44 11.582 12.309 -11.620
317 2HZ LYS 44 3HZ LYS 44 12.220 13.383 -12.688
318 3HZ LYS 44 1HZ LYS 44 12.732 13.396 -11.146
319 H CYS 45 H CYS 45 6.962 17.210 -7.228
320 HA CYS 45 HA CYS 45 6.455 17.130 -4.369
321 1HB CYS 45 1HB CYS 45 5.195 18.726 -5.717
322 2HB CYS 45 2HB CYS 45 4.478 17.409 -6.645
323 H ILE 46 H ILE 46 7.079 15.018 -3.807
324 HA ILE 46 HA ILE 46 5.513 12.760 -4.862
325 HB ILE 46 HB ILE 46 7.545 12.750 -2.617
326 1HG1 ILE 46 1HG1 ILE 46 8.754 13.523 -4.539
327 2HG1 ILE 46 2HG1 ILE 46 9.121 11.822 -4.311
328 1HG2 ILE 46 2HG2 ILE 46 6.335 10.557 -4.361
329 2HG2 ILE 46 3HG2 ILE 46 7.670 10.327 -3.218
330 3HG2 ILE 46 1HG2 ILE 46 6.063 10.793 -2.633
331 1HD1 ILE 46 2HD1 ILE 46 7.490 11.247 -6.140
332 2HD1 ILE 46 3HD1 ILE 46 7.225 12.991 -6.396
333 3HD1 ILE 46 1HD1 ILE 46 8.814 12.281 -6.680
334 H CYS 47 H CYS 47 3.667 12.045 -3.971
335 HA CYS 47 HA CYS 47 2.873 13.150 -1.309
336 1HB CYS 47 1HB CYS 47 1.445 13.760 -3.264
337 2HB CYS 47 2HB CYS 47 0.967 12.067 -3.358
338 H TYR 48 H TYR 48 1.957 11.650 0.275
339 HA TYR 48 HA TYR 48 2.814 8.815 -0.215
340 1HB TYR 48 1HB TYR 48 3.371 10.631 2.127
341 2HB TYR 48 2HB TYR 48 3.706 8.898 2.080
342 HD1 TYR 48 HD1 TYR 48 4.761 12.226 0.897
343 HD2 TYR 48 HD2 TYR 48 5.595 8.007 0.777
344 HE1 TYR 48 HE1 TYR 48 6.970 12.699 -0.117
345 HE2 TYR 48 HE2 TYR 48 7.862 8.489 -0.096
346 HH TYR 48 HH TYR 48 9.382 10.139 -0.690
347 H PHE 49 H PHE 49 0.870 7.787 -0.251
348 HA PHE 49 HA PHE 49 -0.857 8.039 2.128
349 1HB PHE 49 1HB PHE 49 -2.815 7.696 0.452
350 2HB PHE 49 2HB PHE 49 -2.128 9.286 0.728
351 HD1 PHE 49 HD2 PHE 49 -0.571 10.339 -0.903
352 HD2 PHE 49 HD1 PHE 49 -2.665 6.685 -1.820
353 HE1 PHE 49 HE2 PHE 49 -0.936 11.115 -3.215
354 HE2 PHE 49 HE1 PHE 49 -2.656 7.311 -4.227
355 HZ PHE 49 HZ PHE 49 -1.793 9.584 -4.912
356 HA PRO 50 HA PRO 50 -0.694 3.567 2.089
357 1HB PRO 50 1HB PRO 50 -3.647 3.744 2.659
358 2HB PRO 50 2HB PRO 50 -2.408 2.745 3.472
359 1HG PRO 50 1HG PRO 50 -3.287 5.015 4.657
360 2HG PRO 50 2HG PRO 50 -1.529 4.678 4.613
361 1HD PRO 50 1HD PRO 50 -3.126 6.466 2.751
362 2HD PRO 50 2HD PRO 50 -1.598 6.814 3.611
363 H CYS 51 H CYS 51 -0.900 2.075 0.446
364 HA CYS 51 HA CYS 51 -3.213 2.218 -1.404
365 1HB CYS 51 1HB CYS 51 -2.009 2.666 -3.347
366 2HB CYS 51 2HB CYS 51 -1.339 3.784 -2.178
No H/Q in entry = 366
Start of MODEL 7
1 HA PCA 1 HA PYR 1 1.029 -1.917 4.306
2 1HB PCA 1 1HB PYR 1 3.525 -2.958 3.468
3 2HB PCA 1 2HB PYR 1 2.067 -3.901 3.853
4 1HG PCA 1 1HG PYR 1 3.141 -3.256 1.145
5 2HG PCA 1 2HG PYR 1 2.065 -4.589 1.659
6 HN PCA 1 HN PYR 1 0.038 -1.124 2.081
7 H LYS 2 H LYS 2 3.580 -1.230 1.892
8 HA LYS 2 HA LYS 2 4.323 1.265 3.249
9 1HB LYS 2 1HB LYS 2 5.969 1.456 1.444
10 2HB LYS 2 2HB LYS 2 6.126 -0.015 2.383
11 1HG LYS 2 1HG LYS 2 5.654 -1.409 0.684
12 2HG LYS 2 2HG LYS 2 4.448 -0.399 -0.064
13 1HD LYS 2 1HD LYS 2 7.470 -0.102 -0.281
14 2HD LYS 2 2HD LYS 2 6.371 -0.681 -1.531
15 1HE LYS 2 1HE LYS 2 6.652 2.167 -0.464
16 2HE LYS 2 2HE LYS 2 6.995 1.582 -2.082
17 1HZ LYS 2 3HZ LYS 2 4.284 1.648 -0.897
18 2HZ LYS 2 1HZ LYS 2 4.923 2.814 -1.822
19 3HZ LYS 2 2HZ LYS 2 4.669 1.312 -2.468
20 H LEU 3 H LEU 3 3.386 3.214 2.799
21 HA LEU 3 HA LEU 3 1.222 3.591 1.105
22 1HB LEU 3 1HB LEU 3 3.287 5.666 1.811
23 2HB LEU 3 2HB LEU 3 1.664 5.986 1.240
24 HG LEU 3 HG LEU 3 1.213 4.333 3.465
25 1HD1 LEU 3 1HD1 LEU 3 3.611 4.656 4.154
26 2HD1 LEU 3 2HD1 LEU 3 3.377 6.408 4.097
27 3HD1 LEU 3 3HD1 LEU 3 2.496 5.432 5.290
28 1HD2 LEU 3 1HD2 LEU 3 -0.126 6.281 2.785
29 2HD2 LEU 3 2HD2 LEU 3 0.311 6.360 4.495
30 3HD2 LEU 3 3HD2 LEU 3 1.165 7.372 3.313
31 H CYS 4 H CYS 4 0.931 4.511 -0.909
32 HA CYS 4 HA CYS 4 3.042 3.942 -2.895
33 1HB CYS 4 1HB CYS 4 0.073 4.417 -3.075
34 2HB CYS 4 2HB CYS 4 1.127 4.679 -4.480
35 H GLU 5 H GLU 5 4.467 5.398 -3.234
36 HA GLU 5 HA GLU 5 4.261 8.137 -2.367
37 1HB GLU 5 1HB GLU 5 6.476 6.698 -3.908
38 2HB GLU 5 2HB GLU 5 6.602 8.179 -2.962
39 1HG GLU 5 1HG GLU 5 7.294 6.838 -1.312
40 2HG GLU 5 2HG GLU 5 5.582 6.501 -1.055
41 HE2 GLU 5 HE2 GLU 5 8.395 5.066 -1.192
42 H ARG 6 H ARG 6 2.432 8.672 -3.834
43 HA ARG 6 HA ARG 6 2.849 8.451 -6.690
44 1HB ARG 6 1HB ARG 6 0.604 8.508 -5.243
45 2HB ARG 6 2HB ARG 6 0.648 10.223 -5.632
46 1HG ARG 6 1HG ARG 6 0.918 7.975 -7.689
47 2HG ARG 6 2HG ARG 6 -0.633 8.617 -7.204
48 1HD ARG 6 1HD ARG 6 1.348 10.667 -8.173
49 2HD ARG 6 2HD ARG 6 0.781 9.499 -9.344
50 HE ARG 6 HE ARG 6 -1.369 10.233 -9.238
51 1HH1 ARG 6 2HH1 ARG 6 0.627 12.378 -7.178
52 2HH1 ARG 6 1HH1 ARG 6 -0.783 13.207 -6.544
53 1HH2 ARG 6 2HH2 ARG 6 -3.089 11.588 -8.683
54 2HH2 ARG 6 1HH2 ARG 6 -2.860 12.913 -7.587
55 HA PRO 7 HA PRO 7 5.019 12.439 -6.721
56 1HB PRO 7 1HB PRO 7 5.856 12.512 -9.315
57 2HB PRO 7 2HB PRO 7 6.456 11.300 -8.160
58 1HG PRO 7 1HG PRO 7 4.170 10.961 -10.127
59 2HG PRO 7 2HG PRO 7 5.628 9.936 -9.968
60 1HD PRO 7 1HD PRO 7 3.305 9.297 -8.726
61 2HD PRO 7 2HD PRO 7 4.875 9.030 -7.915
62 H SER 8 H SER 8 4.947 14.257 -8.813
63 HA SER 8 HA SER 8 2.591 15.676 -8.571
64 1HB SER 8 1HB SER 8 4.567 15.731 -10.895
65 2HB SER 8 2HB SER 8 3.591 17.068 -10.285
66 HG SER 8 HG SER 8 5.650 17.254 -9.487
67 H GLY 9 H GLY 9 0.982 13.962 -8.941
68 1HA GLY 9 1HA GLY 9 0.036 13.915 -11.815
69 2HA GLY 9 2HA GLY 9 -0.345 12.685 -10.586
70 H THR 10 H THR 10 -0.239 16.008 -9.725
71 HA THR 10 HA THR 10 -3.040 16.573 -9.912
72 HB THR 10 HB THR 10 -1.955 16.179 -7.063
73 HG1 THR 10 HG1 THR 10 -3.323 14.510 -8.820
74 1HG2 THR 10 2HG2 THR 10 -4.738 16.709 -8.171
75 2HG2 THR 10 3HG2 THR 10 -4.316 16.474 -6.457
76 3HG2 THR 10 1HG2 THR 10 -3.711 17.900 -7.334
77 H TRP 11 H TRP 11 -0.150 17.118 -7.883
78 HA TRP 11 HA TRP 11 -0.023 19.988 -8.294
79 1HB TRP 11 1HB TRP 11 1.129 18.799 -6.432
80 2HB TRP 11 2HB TRP 11 2.071 17.875 -7.606
81 HD1 TRP 11 HD1 TRP 11 3.848 19.354 -9.129
82 HE1 TRP 11 HE1 TRP 11 5.134 21.530 -8.595
83 HE3 TRP 11 HE3 TRP 11 1.248 20.853 -4.983
84 HZ2 TRP 11 HZ2 TRP 11 5.092 23.565 -6.595
85 HZ3 TRP 11 HZ3 TRP 11 2.075 22.757 -3.645
86 HH2 TRP 11 HH2 TRP 11 4.021 24.058 -4.389
87 H SER 12 H SER 12 1.277 20.987 -9.969
88 HA SER 12 HA SER 12 1.677 19.242 -12.336
89 1HB SER 12 1HB SER 12 1.470 22.272 -12.088
90 2HB SER 12 2HB SER 12 1.642 21.366 -13.601
91 HG SER 12 HG SER 12 -0.460 20.843 -11.760
92 H GLY 13 H GLY 13 3.666 18.520 -12.691
93 1HA GLY 13 1HA GLY 13 5.891 18.559 -13.167
94 2HA GLY 13 2HA GLY 13 5.763 20.320 -13.219
95 H VAL 14 H VAL 14 7.464 21.063 -12.062
96 HA VAL 14 HA VAL 14 8.820 19.457 -10.169
97 HB VAL 14 HB VAL 14 9.136 22.422 -10.778
98 1HG1 VAL 14 3HG1 VAL 14 11.049 20.456 -9.444
99 2HG1 VAL 14 1HG1 VAL 14 11.465 22.101 -9.960
100 3HG1 VAL 14 2HG1 VAL 14 10.278 21.864 -8.678
101 1HG2 VAL 14 3HG2 VAL 14 10.522 19.959 -11.940
102 2HG2 VAL 14 1HG2 VAL 14 9.435 21.057 -12.816
103 3HG2 VAL 14 2HG2 VAL 14 11.001 21.640 -12.252
104 H CYS 15 H CYS 15 8.854 19.506 -7.935
105 HA CYS 15 HA CYS 15 6.383 20.319 -6.749
106 1HB CYS 15 1HB CYS 15 6.862 18.910 -5.147
107 2HB CYS 15 2HB CYS 15 8.277 18.454 -6.098
108 H GLY 16 H GLY 16 9.615 21.793 -6.603
109 1HA GLY 16 1HA GLY 16 10.234 23.894 -5.900
110 2HA GLY 16 2HA GLY 16 8.539 24.292 -5.615
111 H ASN 17 H ASN 17 7.770 22.512 -3.615
112 HA ASN 17 HA ASN 17 9.628 22.846 -1.352
113 1HB ASN 17 1HB ASN 17 8.750 25.111 -1.574
114 2HB ASN 17 2HB ASN 17 7.094 24.495 -1.661
115 1HD2 ASN 17 2HD2 ASN 17 9.018 24.687 1.983
116 2HD2 ASN 17 1HD2 ASN 17 9.937 24.831 0.498
117 H ASN 18 H ASN 18 9.297 21.392 0.176
118 HA ASN 18 HA ASN 18 7.681 19.215 0.204
119 1HB ASN 18 1HB ASN 18 9.621 19.691 1.672
120 2HB ASN 18 2HB ASN 18 8.636 20.770 2.639
121 1HD2 ASN 18 2HD2 ASN 18 8.097 16.723 2.954
122 2HD2 ASN 18 1HD2 ASN 18 9.152 17.357 1.689
123 H ASN 19 H ASN 19 7.076 22.028 2.207
124 HA ASN 19 HA ASN 19 4.623 21.120 3.254
125 1HB ASN 19 1HB ASN 19 5.963 22.814 4.374
126 2HB ASN 19 2HB ASN 19 5.607 23.988 3.095
127 1HD2 ASN 19 2HD2 ASN 19 2.441 24.827 4.453
128 2HD2 ASN 19 1HD2 ASN 19 3.693 25.200 3.282
129 H ALA 20 H ALA 20 5.221 23.398 0.532
130 HA ALA 20 HA ALA 20 2.475 23.953 -0.015
131 1HB ALA 20 2HB ALA 20 4.350 25.213 -1.039
132 2HB ALA 20 3HB ALA 20 4.755 23.786 -2.027
133 3HB ALA 20 1HB ALA 20 3.191 24.604 -2.233
134 H CYS 21 H CYS 21 4.681 21.469 -1.448
135 HA CYS 21 HA CYS 21 2.786 20.200 -3.061
136 1HB CYS 21 1HB CYS 21 5.034 19.557 -3.369
137 2HB CYS 21 2HB CYS 21 5.258 19.183 -1.653
138 H LYS 22 H LYS 22 3.711 19.432 0.290
139 HA LYS 22 HA LYS 22 2.038 17.302 0.915
140 1HB LYS 22 1HB LYS 22 3.790 18.110 2.337
141 2HB LYS 22 2HB LYS 22 3.043 19.675 2.521
142 1HG LYS 22 1HG LYS 22 1.165 18.767 3.774
143 2HG LYS 22 2HG LYS 22 1.862 17.159 3.746
144 1HD LYS 22 1HD LYS 22 3.274 19.645 4.890
145 2HD LYS 22 2HD LYS 22 2.152 18.675 5.825
146 1HE LYS 22 1HE LYS 22 4.440 18.066 6.387
147 2HE LYS 22 2HE LYS 22 3.555 16.700 5.690
148 1HZ LYS 22 2HZ LYS 22 5.530 18.357 4.212
149 2HZ LYS 22 3HZ LYS 22 5.773 16.829 4.736
150 3HZ LYS 22 1HZ LYS 22 4.643 17.077 3.642
151 H ASN 23 H ASN 23 1.338 20.765 1.568
152 HA ASN 23 HA ASN 23 -1.325 20.427 2.417
153 1HB ASN 23 1HB ASN 23 -0.298 22.565 2.764
154 2HB ASN 23 2HB ASN 23 0.159 22.706 1.063
155 1HD2 ASN 23 2HD2 ASN 23 -2.541 24.948 0.746
156 2HD2 ASN 23 1HD2 ASN 23 -0.801 24.758 0.798
157 H GLN 24 H GLN 24 -0.206 21.450 -0.871
158 HA GLN 24 HA GLN 24 -2.806 21.450 -1.940
159 1HB GLN 24 1HB GLN 24 -0.094 21.127 -3.252
160 2HB GLN 24 2HB GLN 24 -1.616 21.259 -4.170
161 1HG GLN 24 1HG GLN 24 -2.114 23.416 -3.050
162 2HG GLN 24 2HG GLN 24 -0.606 23.296 -2.124
163 1HE2 GLN 24 2HE2 GLN 24 0.072 23.837 -6.136
164 2HE2 GLN 24 1HE2 GLN 24 -0.924 22.491 -5.612
165 H CYS 25 H CYS 25 -0.476 18.709 -1.778
166 HA CYS 25 HA CYS 25 -2.060 16.888 -3.260
167 1HB CYS 25 1HB CYS 25 0.163 16.187 -2.544
168 2HB CYS 25 2HB CYS 25 -0.298 16.297 -0.844
169 H ILE 26 H ILE 26 -1.956 17.207 0.360
170 HA ILE 26 HA ILE 26 -4.134 15.296 0.528
171 HB ILE 26 HB ILE 26 -3.877 15.373 2.856
172 1HG1 ILE 26 1HG1 ILE 26 -2.458 18.030 2.506
173 2HG1 ILE 26 2HG1 ILE 26 -3.989 17.695 3.343
174 1HG2 ILE 26 2HG2 ILE 26 -2.041 14.341 1.536
175 2HG2 ILE 26 3HG2 ILE 26 -1.105 15.842 1.657
176 3HG2 ILE 26 1HG2 ILE 26 -1.493 14.932 3.104
177 1HD1 ILE 26 2HD1 ILE 26 -2.724 16.288 4.992
178 2HD1 ILE 26 3HD1 ILE 26 -1.211 16.867 4.245
179 3HD1 ILE 26 1HD1 ILE 26 -2.315 18.016 5.009
180 H ASN 27 H ASN 27 -4.009 18.673 0.107
181 HA ASN 27 HA ASN 27 -6.649 19.296 1.151
182 1HB ASN 27 1HB ASN 27 -4.711 20.782 1.113
183 2HB ASN 27 2HB ASN 27 -4.751 20.842 -0.664
184 1HD2 ASN 27 2HD2 ASN 27 -6.417 23.821 0.938
185 2HD2 ASN 27 1HD2 ASN 27 -4.856 23.023 1.173
186 H LEU 28 H LEU 28 -5.230 19.268 -2.221
187 HA LEU 28 HA LEU 28 -7.859 19.414 -3.409
188 1HB LEU 28 1HB LEU 28 -5.060 19.027 -4.521
189 2HB LEU 28 2HB LEU 28 -6.494 18.863 -5.511
190 HG LEU 28 HG LEU 28 -7.215 21.123 -5.086
191 1HD1 LEU 28 1HD1 LEU 28 -4.712 21.419 -3.375
192 2HD1 LEU 28 2HD1 LEU 28 -5.719 22.761 -3.946
193 3HD1 LEU 28 3HD1 LEU 28 -6.400 21.579 -2.829
194 1HD2 LEU 28 2HD2 LEU 28 -5.662 20.645 -6.952
195 2HD2 LEU 28 3HD2 LEU 28 -5.413 22.277 -6.306
196 3HD2 LEU 28 1HD2 LEU 28 -4.277 20.977 -5.888
197 H GLU 29 H GLU 29 -5.399 16.759 -3.185
198 HA GLU 29 HA GLU 29 -7.587 14.846 -3.903
199 1HB GLU 29 1HB GLU 29 -5.878 13.140 -4.187
200 2HB GLU 29 2HB GLU 29 -5.828 14.454 -5.356
201 1HG GLU 29 1HG GLU 29 -3.877 15.438 -4.143
202 2HG GLU 29 2HG GLU 29 -3.874 13.992 -3.089
203 HE2 GLU 29 HE2 GLU 29 -1.688 14.529 -4.474
204 H LYS 30 H LYS 30 -7.284 12.779 -2.377
205 HA LYS 30 HA LYS 30 -7.482 13.979 0.348
206 1HB LYS 30 1HB LYS 30 -9.084 11.775 -0.916
207 2HB LYS 30 2HB LYS 30 -9.284 12.339 0.747
208 1HG LYS 30 1HG LYS 30 -9.518 14.324 -1.570
209 2HG LYS 30 2HG LYS 30 -10.820 13.234 -1.175
210 1HD LYS 30 1HD LYS 30 -11.189 15.410 -0.182
211 2HD LYS 30 2HD LYS 30 -11.133 14.112 0.999
212 1HE LYS 30 1HE LYS 30 -10.095 16.138 1.871
213 2HE LYS 30 2HE LYS 30 -8.938 14.818 1.787
214 1HZ LYS 30 3HZ LYS 30 -8.121 15.875 -0.306
215 2HZ LYS 30 1HZ LYS 30 -9.041 17.191 -0.034
216 3HZ LYS 30 2HZ LYS 30 -7.877 16.741 1.011
217 H ALA 31 H ALA 31 -5.152 12.569 -0.974
218 HA ALA 31 HA ALA 31 -4.263 10.322 0.390
219 1HB ALA 31 2HB ALA 31 -3.035 11.660 -1.339
220 2HB ALA 31 3HB ALA 31 -2.826 12.945 -0.139
221 3HB ALA 31 1HB ALA 31 -2.027 11.381 0.108
222 H ARG 32 H ARG 32 -2.720 10.219 2.276
223 HA ARG 32 HA ARG 32 -3.906 11.666 4.568
224 1HB ARG 32 1HB ARG 32 -1.813 9.446 4.461
225 2HB ARG 32 2HB ARG 32 -2.546 10.079 5.936
226 1HG ARG 32 1HG ARG 32 -4.127 8.698 3.726
227 2HG ARG 32 2HG ARG 32 -3.346 7.842 5.041
228 1HD ARG 32 1HD ARG 32 -5.709 8.131 5.588
229 2HD ARG 32 2HD ARG 32 -4.660 8.952 6.733
230 HE ARG 32 HE ARG 32 -5.679 10.912 6.249
231 1HH1 ARG 32 2HH2 ARG 32 -6.317 8.752 3.512
232 2HH1 ARG 32 1HH2 ARG 32 -6.879 10.058 2.476
233 1HH2 ARG 32 2HH1 ARG 32 -6.496 12.600 4.841
234 2HH2 ARG 32 1HH1 ARG 32 -6.898 12.163 3.201
235 H HIS 33 H HIS 33 -0.468 10.959 3.842
236 HA HIS 33 HA HIS 33 0.095 13.781 4.598
237 1HB HIS 33 2HB HIS 33 2.363 13.062 5.241
238 2HB HIS 33 1HB HIS 33 1.068 12.541 6.315
239 HD1 HIS 33 HD1 HIS 33 0.335 9.969 6.175
240 HD2 HIS 33 HD2 HIS 33 4.006 10.980 4.427
241 HE1 HIS 33 HE1 HIS 33 1.657 7.824 5.914
242 H GLY 34 H GLY 34 1.741 14.799 3.420
243 1HA GLY 34 1HA GLY 34 2.722 13.501 1.012
244 2HA GLY 34 2HA GLY 34 1.887 15.054 0.782
245 H SER 35 H SER 35 4.722 14.571 0.254
246 HA SER 35 HA SER 35 6.042 16.576 1.772
247 1HB SER 35 1HB SER 35 5.898 14.021 3.184
248 2HB SER 35 2HB SER 35 7.548 14.238 2.623
249 HG SER 35 HG SER 35 7.333 15.178 4.603
250 H CYS 36 H CYS 36 6.868 17.216 -0.124
251 HA CYS 36 HA CYS 36 8.040 15.427 -2.085
252 1HB CYS 36 1HB CYS 36 7.140 17.482 -2.874
253 2HB CYS 36 2HB CYS 36 8.006 18.432 -1.682
254 H ASN 37 H ASN 37 10.184 15.168 -2.555
255 HA ASN 37 HA ASN 37 12.259 15.874 -0.540
256 1HB ASN 37 1HB ASN 37 11.607 13.550 -0.127
257 2HB ASN 37 2HB ASN 37 11.614 13.194 -1.858
258 1HD2 ASN 37 2HD2 ASN 37 15.009 12.241 -1.779
259 2HD2 ASN 37 1HD2 ASN 37 13.391 11.928 -2.377
260 H TYR 38 H TYR 38 14.482 15.568 -1.623
261 HA TYR 38 HA TYR 38 14.456 16.597 -4.397
262 1HB TYR 38 1HB TYR 38 16.119 17.444 -2.732
263 2HB TYR 38 2HB TYR 38 16.768 15.815 -2.570
264 HD1 TYR 38 HD2 TYR 38 15.999 18.422 -5.183
265 HD2 TYR 38 HD1 TYR 38 18.596 15.197 -3.982
266 HE1 TYR 38 HE2 TYR 38 17.206 18.601 -7.323
267 HE2 TYR 38 HE1 TYR 38 19.796 15.368 -6.144
268 HH TYR 38 HH TYR 38 18.565 17.431 -8.769
269 H VAL 39 H VAL 39 13.102 14.670 -4.928
270 HA VAL 39 HA VAL 39 14.643 12.209 -5.483
271 HB VAL 39 HB VAL 39 11.966 13.158 -6.603
272 1HG1 VAL 39 2HG1 VAL 39 13.367 10.438 -6.651
273 2HG1 VAL 39 3HG1 VAL 39 11.721 10.757 -7.230
274 3HG1 VAL 39 1HG1 VAL 39 13.106 11.481 -8.059
275 1HG2 VAL 39 3HG2 VAL 39 12.660 11.269 -4.314
276 2HG2 VAL 39 1HG2 VAL 39 11.806 12.828 -4.191
277 3HG2 VAL 39 2HG2 VAL 39 11.044 11.460 -5.015
278 H PHE 40 H PHE 40 16.437 12.847 -6.621
279 HA PHE 40 HA PHE 40 16.963 14.764 -8.382
280 1HB PHE 40 1HB PHE 40 18.596 13.199 -7.641
281 2HB PHE 40 2HB PHE 40 17.790 11.845 -8.430
282 HD1 PHE 40 HD2 PHE 40 17.954 11.519 -10.898
283 HD2 PHE 40 HD1 PHE 40 20.226 14.543 -8.807
284 HE1 PHE 40 HE2 PHE 40 19.452 11.759 -12.855
285 HE2 PHE 40 HE1 PHE 40 21.722 14.762 -10.763
286 HZ PHE 40 HZ PHE 40 21.335 13.382 -12.796
287 HA PRO 41 HA PRO 41 17.971 15.374 -10.242
288 1HB PRO 41 1HB PRO 41 17.812 16.778 -12.550
289 2HB PRO 41 2HB PRO 41 18.422 15.100 -12.514
290 1HG PRO 41 1HG PRO 41 15.633 16.029 -13.249
291 2HG PRO 41 2HG PRO 41 16.676 14.878 -14.125
292 1HD PRO 41 1HD PRO 41 14.721 14.061 -12.359
293 2HD PRO 41 2HD PRO 41 16.237 13.154 -12.592
294 H ALA 42 H ALA 42 14.660 16.217 -11.259
295 HA ALA 42 HA ALA 42 14.819 18.758 -9.693
296 1HB ALA 42 2HB ALA 42 14.287 19.061 -12.084
297 2HB ALA 42 3HB ALA 42 12.913 17.942 -11.926
298 3HB ALA 42 1HB ALA 42 12.911 19.486 -11.047
299 H HIS 43 H HIS 43 13.192 19.159 -8.206
300 HA HIS 43 HA HIS 43 12.386 17.018 -6.573
301 1HB HIS 43 2HB HIS 43 11.478 19.935 -6.811
302 2HB HIS 43 1HB HIS 43 10.818 18.820 -5.648
303 HD1 HIS 43 HD1 HIS 43 12.324 17.827 -3.770
304 HD2 HIS 43 HD2 HIS 43 13.920 21.058 -5.919
305 HE1 HIS 43 HE1 HIS 43 14.130 18.888 -2.322
306 H LYS 44 H LYS 44 10.412 15.899 -6.389
307 HA LYS 44 HA LYS 44 8.248 16.434 -8.401
308 1HB LYS 44 1HB LYS 44 9.290 13.805 -7.301
309 2HB LYS 44 2HB LYS 44 7.897 13.971 -8.387
310 1HG LYS 44 1HG LYS 44 9.306 14.772 -10.194
311 2HG LYS 44 2HG LYS 44 10.674 14.964 -9.096
312 1HD LYS 44 1HD LYS 44 10.572 12.448 -8.653
313 2HD LYS 44 2HD LYS 44 9.409 12.341 -9.972
314 1HE LYS 44 1HE LYS 44 11.702 11.810 -10.724
315 2HE LYS 44 2HE LYS 44 11.095 13.246 -11.563
316 1HZ LYS 44 2HZ LYS 44 12.809 13.429 -9.157
317 2HZ LYS 44 3HZ LYS 44 13.447 13.322 -10.619
318 3HZ LYS 44 1HZ LYS 44 12.498 14.618 -10.188
319 H CYS 45 H CYS 45 6.124 16.365 -7.534
320 HA CYS 45 HA CYS 45 6.062 16.848 -4.688
321 1HB CYS 45 1HB CYS 45 4.659 18.167 -6.170
322 2HB CYS 45 2HB CYS 45 3.833 16.715 -6.730
323 H ILE 46 H ILE 46 6.886 14.810 -3.945
324 HA ILE 46 HA ILE 46 5.388 12.397 -4.415
325 HB ILE 46 HB ILE 46 7.306 12.858 -2.113
326 1HG1 ILE 46 1HG1 ILE 46 8.649 13.427 -3.979
327 2HG1 ILE 46 2HG1 ILE 46 9.028 11.775 -3.547
328 1HG2 ILE 46 1HG2 ILE 46 6.347 10.369 -3.587
329 2HG2 ILE 46 2HG2 ILE 46 7.585 10.389 -2.313
330 3HG2 ILE 46 3HG2 ILE 46 5.916 10.834 -1.944
331 1HD1 ILE 46 1HD1 ILE 46 7.520 10.963 -5.412
332 2HD1 ILE 46 2HD1 ILE 46 7.284 12.659 -5.890
333 3HD1 ILE 46 3HD1 ILE 46 8.892 11.927 -5.962
334 H CYS 47 H CYS 47 3.497 11.868 -3.597
335 HA CYS 47 HA CYS 47 2.811 12.732 -0.857
336 1HB CYS 47 1HB CYS 47 1.588 13.975 -2.654
337 2HB CYS 47 2HB CYS 47 0.846 12.437 -3.127
338 H TYR 48 H TYR 48 1.756 11.181 0.475
339 HA TYR 48 HA TYR 48 2.435 8.423 -0.443
340 1HB TYR 48 1HB TYR 48 2.242 9.578 2.340
341 2HB TYR 48 2HB TYR 48 2.862 7.994 1.885
342 HD1 TYR 48 HD1 TYR 48 3.566 11.605 1.971
343 HD2 TYR 48 HD2 TYR 48 5.096 7.745 0.854
344 HE1 TYR 48 HE1 TYR 48 5.699 12.647 1.274
345 HE2 TYR 48 HE2 TYR 48 7.283 8.791 0.275
346 HH TYR 48 HH TYR 48 7.735 12.346 0.273
347 H PHE 49 H PHE 49 0.564 7.455 -1.223
348 HA PHE 49 HA PHE 49 -1.988 8.019 0.177
349 1HB PHE 49 1HB PHE 49 -1.596 6.201 -2.180
350 2HB PHE 49 2HB PHE 49 -3.060 6.922 -1.620
351 HD1 PHE 49 HD2 PHE 49 -1.202 9.788 -1.444
352 HD2 PHE 49 HD1 PHE 49 -2.701 6.973 -4.362
353 HE1 PHE 49 HE2 PHE 49 -1.273 11.565 -3.132
354 HE2 PHE 49 HE1 PHE 49 -2.858 8.803 -6.020
355 HZ PHE 49 HZ PHE 49 -2.102 11.096 -5.406
356 HA PRO 50 HA PRO 50 -1.559 3.965 2.191
357 1HB PRO 50 1HB PRO 50 -4.189 3.344 2.669
358 2HB PRO 50 2HB PRO 50 -3.338 4.624 3.584
359 1HG PRO 50 1HG PRO 50 -5.162 4.960 1.189
360 2HG PRO 50 2HG PRO 50 -5.193 5.872 2.723
361 1HD PRO 50 1HD PRO 50 -3.912 6.761 0.419
362 2HD PRO 50 2HD PRO 50 -3.308 7.171 2.067
363 H CYS 51 H CYS 51 -1.306 1.980 1.166
364 HA CYS 51 HA CYS 51 -2.961 1.024 -0.968
365 1HB CYS 51 1HB CYS 51 -1.657 1.528 -2.838
366 2HB CYS 51 2HB CYS 51 -1.375 2.982 -1.918
No H/Q in entry = 366
Start of MODEL 8
1 HA PCA 1 HA PYR 1 -2.223 1.408 6.823
2 1HB PCA 1 1HB PYR 1 -1.341 -1.240 6.606
3 2HB PCA 1 2HB PYR 1 -2.987 -0.745 7.058
4 1HG PCA 1 1HG PYR 1 -2.086 -1.777 4.391
5 2HG PCA 1 2HG PYR 1 -3.687 -1.877 5.182
6 HN PCA 1 HN PYR 1 -2.955 2.028 4.495
7 H LYS 2 H LYS 2 -0.292 -0.761 4.771
8 HA LYS 2 HA LYS 2 2.121 0.806 4.949
9 1HB LYS 2 1HB LYS 2 2.099 -1.644 4.491
10 2HB LYS 2 2HB LYS 2 1.231 -1.345 2.989
11 1HG LYS 2 1HG LYS 2 3.425 0.274 2.562
12 2HG LYS 2 2HG LYS 2 4.110 -0.831 3.727
13 1HD LYS 2 1HD LYS 2 4.554 -1.476 1.392
14 2HD LYS 2 2HD LYS 2 3.701 -2.737 2.277
15 1HE LYS 2 1HE LYS 2 2.969 -2.227 -0.158
16 2HE LYS 2 2HE LYS 2 1.709 -2.444 1.054
17 1HZ LYS 2 1HZ LYS 2 2.638 0.228 0.134
18 2HZ LYS 2 2HZ LYS 2 1.243 -0.564 -0.317
19 3HZ LYS 2 3HZ LYS 2 1.429 -0.093 1.185
20 H LEU 3 H LEU 3 2.403 2.759 3.879
21 HA LEU 3 HA LEU 3 0.629 3.760 1.944
22 1HB LEU 3 1HB LEU 3 3.515 4.428 2.474
23 2HB LEU 3 2HB LEU 3 2.479 5.387 1.435
24 HG LEU 3 HG LEU 3 1.807 4.934 4.372
25 1HD1 LEU 3 2HD1 LEU 3 4.043 6.009 4.162
26 2HD1 LEU 3 3HD1 LEU 3 3.353 7.235 3.083
27 3HD1 LEU 3 1HD1 LEU 3 2.829 7.141 4.776
28 1HD2 LEU 3 3HD2 LEU 3 0.897 6.975 2.299
29 2HD2 LEU 3 1HD2 LEU 3 -0.082 5.693 3.042
30 3HD2 LEU 3 2HD2 LEU 3 0.506 7.040 4.025
31 H CYS 4 H CYS 4 0.979 4.227 -0.296
32 HA CYS 4 HA CYS 4 3.093 2.688 -1.763
33 1HB CYS 4 1HB CYS 4 0.222 3.183 -2.631
34 2HB CYS 4 2HB CYS 4 1.525 2.831 -3.756
35 H GLU 5 H GLU 5 4.265 4.019 -3.084
36 HA GLU 5 HA GLU 5 3.910 6.908 -2.623
37 1HB GLU 5 1HB GLU 5 6.291 5.702 -4.031
38 2HB GLU 5 2HB GLU 5 6.175 7.113 -2.987
39 1HG GLU 5 1HG GLU 5 7.281 5.673 -1.581
40 2HG GLU 5 2HG GLU 5 5.634 5.247 -1.110
41 HE2 GLU 5 HE2 GLU 5 8.023 2.548 -2.788
42 H ARG 6 H ARG 6 3.554 8.395 -4.287
43 HA ARG 6 HA ARG 6 3.903 7.521 -7.099
44 1HB ARG 6 1HB ARG 6 1.478 8.960 -5.927
45 2HB ARG 6 2HB ARG 6 1.916 9.060 -7.587
46 1HG ARG 6 1HG ARG 6 1.657 6.631 -7.904
47 2HG ARG 6 2HG ARG 6 1.196 6.439 -6.205
48 1HD ARG 6 1HD ARG 6 -0.727 6.593 -7.937
49 2HD ARG 6 2HD ARG 6 -0.837 7.604 -6.493
50 HE ARG 6 HE ARG 6 0.321 8.667 -9.037
51 1HH1 ARG 6 1HH2 ARG 6 -2.523 8.948 -7.024
52 2HH1 ARG 6 2HH2 ARG 6 -2.449 10.692 -6.900
53 1HH2 ARG 6 1HH1 ARG 6 0.682 10.974 -8.509
54 2HH2 ARG 6 2HH1 ARG 6 -0.653 11.857 -7.886
55 HA PRO 7 HA PRO 7 5.469 11.789 -7.178
56 1HB PRO 7 1HB PRO 7 5.220 12.419 -9.820
57 2HB PRO 7 2HB PRO 7 6.460 11.262 -9.248
58 1HG PRO 7 1HG PRO 7 3.738 10.624 -10.420
59 2HG PRO 7 2HG PRO 7 5.314 9.917 -10.875
60 1HD PRO 7 1HD PRO 7 3.610 8.680 -9.138
61 2HD PRO 7 2HD PRO 7 5.379 8.594 -8.907
62 H SER 8 H SER 8 4.342 13.811 -7.149
63 HA SER 8 HA SER 8 1.982 14.258 -6.206
64 1HB SER 8 1HB SER 8 1.921 16.391 -7.561
65 2HB SER 8 2HB SER 8 3.477 16.025 -6.804
66 HG SER 8 HG SER 8 3.766 16.590 -9.015
67 H GLY 9 H GLY 9 2.103 14.568 -9.737
68 1HA GLY 9 1HA GLY 9 0.550 13.807 -11.379
69 2HA GLY 9 2HA GLY 9 -0.539 13.216 -10.119
70 H THR 10 H THR 10 -0.480 15.700 -8.505
71 HA THR 10 HA THR 10 -2.221 17.497 -10.033
72 HB THR 10 HB THR 10 -1.983 18.664 -7.682
73 HG1 THR 10 HG1 THR 10 -1.303 16.955 -6.124
74 1HG2 THR 10 3HG2 THR 10 -3.187 15.871 -7.890
75 2HG2 THR 10 1HG2 THR 10 -3.497 17.028 -6.575
76 3HG2 THR 10 2HG2 THR 10 -3.995 17.414 -8.231
77 H TRP 11 H TRP 11 0.484 18.002 -7.865
78 HA TRP 11 HA TRP 11 1.477 20.379 -9.064
79 1HB TRP 11 1HB TRP 11 1.692 19.549 -6.681
80 2HB TRP 11 2HB TRP 11 3.002 18.508 -7.213
81 HD1 TRP 11 HD1 TRP 11 4.881 20.301 -8.817
82 HE1 TRP 11 HE1 TRP 11 6.002 22.377 -7.859
83 HE3 TRP 11 HE3 TRP 11 1.699 21.229 -4.876
84 HZ2 TRP 11 HZ2 TRP 11 5.612 24.192 -5.692
85 HZ3 TRP 11 HZ3 TRP 11 2.252 23.021 -3.287
86 HH2 TRP 11 HH2 TRP 11 4.287 24.395 -3.609
87 H SER 12 H SER 12 1.526 19.574 -11.299
88 HA SER 12 HA SER 12 3.504 17.585 -12.051
89 1HB SER 12 1HB SER 12 1.764 19.417 -13.757
90 2HB SER 12 2HB SER 12 2.604 17.949 -14.285
91 HG SER 12 HG SER 12 0.531 18.105 -12.308
92 H GLY 13 H GLY 13 5.191 19.075 -10.876
93 1HA GLY 13 1HA GLY 13 6.926 20.229 -12.851
94 2HA GLY 13 2HA GLY 13 6.090 21.499 -11.930
95 H VAL 14 H VAL 14 8.491 21.849 -11.431
96 HA VAL 14 HA VAL 14 9.913 20.183 -9.610
97 HB VAL 14 HB VAL 14 10.014 23.208 -10.052
98 1HG1 VAL 14 3HG1 VAL 14 12.020 21.321 -8.761
99 2HG1 VAL 14 1HG1 VAL 14 12.345 23.015 -9.173
100 3HG1 VAL 14 2HG1 VAL 14 11.141 22.631 -7.941
101 1HG2 VAL 14 1HG2 VAL 14 11.633 20.926 -11.275
102 2HG2 VAL 14 2HG2 VAL 14 10.486 21.969 -12.140
103 3HG2 VAL 14 3HG2 VAL 14 11.980 22.653 -11.495
104 H CYS 15 H CYS 15 10.001 20.279 -7.297
105 HA CYS 15 HA CYS 15 7.381 20.593 -6.199
106 1HB CYS 15 1HB CYS 15 8.148 19.380 -4.477
107 2HB CYS 15 2HB CYS 15 9.611 19.171 -5.439
108 H GLY 16 H GLY 16 10.213 22.757 -5.891
109 1HA GLY 16 1HA GLY 16 10.326 24.896 -5.063
110 2HA GLY 16 2HA GLY 16 8.566 24.935 -4.969
111 H ASN 17 H ASN 17 8.208 22.743 -3.047
112 HA ASN 17 HA ASN 17 9.555 23.396 -0.599
113 1HB ASN 17 1HB ASN 17 8.482 25.600 -0.862
114 2HB ASN 17 2HB ASN 17 6.916 24.821 -1.117
115 1HD2 ASN 17 2HD2 ASN 17 8.500 25.115 2.680
116 2HD2 ASN 17 1HD2 ASN 17 9.508 25.418 1.277
117 H ASN 18 H ASN 18 9.163 21.823 0.825
118 HA ASN 18 HA ASN 18 7.591 19.594 0.353
119 1HB ASN 18 1HB ASN 18 9.595 19.888 1.910
120 2HB ASN 18 2HB ASN 18 8.523 20.639 3.075
121 1HD2 ASN 18 2HD2 ASN 18 8.378 16.605 2.575
122 2HD2 ASN 18 1HD2 ASN 18 9.511 17.512 1.599
123 H ASN 19 H ASN 19 6.940 21.950 2.829
124 HA ASN 19 HA ASN 19 4.458 21.029 3.709
125 1HB ASN 19 1HB ASN 19 5.655 22.760 4.899
126 2HB ASN 19 2HB ASN 19 5.382 23.921 3.591
127 1HD2 ASN 19 1HD2 ASN 19 2.082 24.704 4.628
128 2HD2 ASN 19 2HD2 ASN 19 3.367 25.010 3.474
129 H ALA 20 H ALA 20 4.997 23.428 1.093
130 HA ALA 20 HA ALA 20 2.218 23.797 0.500
131 1HB ALA 20 1HB ALA 20 3.954 25.347 -0.295
132 2HB ALA 20 2HB ALA 20 4.607 24.076 -1.357
133 3HB ALA 20 3HB ALA 20 2.969 24.721 -1.629
134 H CYS 21 H CYS 21 4.703 21.717 -1.093
135 HA CYS 21 HA CYS 21 3.122 20.364 -2.925
136 1HB CYS 21 1HB CYS 21 5.402 19.860 -3.014
137 2HB CYS 21 2HB CYS 21 5.524 19.594 -1.279
138 H LYS 22 H LYS 22 3.770 19.473 0.426
139 HA LYS 22 HA LYS 22 2.259 17.163 0.716
140 1HB LYS 22 1HB LYS 22 3.911 17.956 2.296
141 2HB LYS 22 2HB LYS 22 2.973 19.387 2.682
142 1HG LYS 22 1HG LYS 22 1.189 18.045 3.697
143 2HG LYS 22 2HG LYS 22 2.067 16.578 3.360
144 1HD LYS 22 1HD LYS 22 2.523 18.766 5.368
145 2HD LYS 22 2HD LYS 22 2.632 17.030 5.617
146 1HE LYS 22 1HE LYS 22 4.703 18.868 4.301
147 2HE LYS 22 2HE LYS 22 4.810 18.181 5.913
148 1HZ LYS 22 3HZ LYS 22 4.739 16.523 3.483
149 2HZ LYS 22 1HZ LYS 22 6.124 17.076 4.137
150 3HZ LYS 22 2HZ LYS 22 5.153 16.047 4.989
151 H ASN 23 H ASN 23 1.273 20.461 1.730
152 HA ASN 23 HA ASN 23 -1.357 19.788 2.406
153 1HB ASN 23 1HB ASN 23 -0.577 21.969 3.031
154 2HB ASN 23 2HB ASN 23 -0.079 22.345 1.378
155 1HD2 ASN 23 2HD2 ASN 23 -2.996 24.299 1.111
156 2HD2 ASN 23 1HD2 ASN 23 -1.246 24.274 1.165
157 H GLN 24 H GLN 24 -0.213 21.226 -0.725
158 HA GLN 24 HA GLN 24 -2.771 21.135 -1.924
159 1HB GLN 24 1HB GLN 24 0.007 21.003 -3.194
160 2HB GLN 24 2HB GLN 24 -1.518 21.176 -4.096
161 1HG GLN 24 1HG GLN 24 -2.039 23.249 -2.833
162 2HG GLN 24 2HG GLN 24 -0.509 23.101 -1.949
163 1HE2 GLN 24 2HE2 GLN 24 0.230 23.780 -5.907
164 2HE2 GLN 24 1HE2 GLN 24 -0.612 22.322 -5.418
165 H CYS 25 H CYS 25 -0.224 18.563 -1.967
166 HA CYS 25 HA CYS 25 -1.743 16.853 -3.646
167 1HB CYS 25 1HB CYS 25 0.627 16.363 -2.970
168 2HB CYS 25 2HB CYS 25 0.042 15.936 -1.367
169 H ILE 26 H ILE 26 -1.588 16.772 -0.007
170 HA ILE 26 HA ILE 26 -3.578 14.674 0.000
171 HB ILE 26 HB ILE 26 -3.405 14.720 2.386
172 1HG1 ILE 26 1HG1 ILE 26 -2.145 17.471 2.123
173 2HG1 ILE 26 2HG1 ILE 26 -3.675 17.052 2.890
174 1HG2 ILE 26 3HG2 ILE 26 -1.454 13.873 1.025
175 2HG2 ILE 26 1HG2 ILE 26 -0.630 15.408 1.334
176 3HG2 ILE 26 2HG2 ILE 26 -1.056 14.347 2.678
177 1HD1 ILE 26 1HD1 ILE 26 -2.419 15.669 4.565
178 2HD1 ILE 26 2HD1 ILE 26 -0.902 16.300 3.875
179 3HD1 ILE 26 3HD1 ILE 26 -2.064 17.408 4.618
180 H ASN 27 H ASN 27 -3.834 18.072 -0.183
181 HA ASN 27 HA ASN 27 -6.530 18.301 0.903
182 1HB ASN 27 1HB ASN 27 -4.748 19.989 1.051
183 2HB ASN 27 2HB ASN 27 -4.791 20.224 -0.711
184 1HD2 ASN 27 2HD2 ASN 27 -6.761 22.819 1.202
185 2HD2 ASN 27 1HD2 ASN 27 -5.133 22.154 1.390
186 H LEU 28 H LEU 28 -5.015 18.655 -2.391
187 HA LEU 28 HA LEU 28 -7.583 18.719 -3.716
188 1HB LEU 28 1HB LEU 28 -4.705 18.564 -4.658
189 2HB LEU 28 2HB LEU 28 -6.043 18.302 -5.757
190 HG LEU 28 HG LEU 28 -6.984 20.473 -5.363
191 1HD1 LEU 28 1HD1 LEU 28 -4.692 20.968 -3.415
192 2HD1 LEU 28 2HD1 LEU 28 -5.796 22.205 -4.040
193 3HD1 LEU 28 3HD1 LEU 28 -6.426 20.915 -3.016
194 1HD2 LEU 28 1HD2 LEU 28 -5.218 20.198 -7.075
195 2HD2 LEU 28 2HD2 LEU 28 -5.188 21.825 -6.372
196 3HD2 LEU 28 3HD2 LEU 28 -3.980 20.622 -5.871
197 H GLU 29 H GLU 29 -4.962 16.179 -3.671
198 HA GLU 29 HA GLU 29 -7.074 14.247 -4.575
199 1HB GLU 29 1HB GLU 29 -5.420 12.707 -5.218
200 2HB GLU 29 2HB GLU 29 -5.105 14.267 -5.968
201 1HG GLU 29 1HG GLU 29 -3.383 14.617 -4.082
202 2HG GLU 29 2HG GLU 29 -3.501 12.869 -3.798
203 HE2 GLU 29 HE2 GLU 29 -1.280 14.307 -6.685
204 H LYS 30 H LYS 30 -6.352 11.968 -3.301
205 HA LYS 30 HA LYS 30 -6.910 12.798 -0.483
206 1HB LYS 30 1HB LYS 30 -8.023 10.495 -2.090
207 2HB LYS 30 2HB LYS 30 -8.361 10.798 -0.379
208 1HG LYS 30 1HG LYS 30 -8.946 12.819 -2.606
209 2HG LYS 30 2HG LYS 30 -10.112 11.667 -1.994
210 1HD LYS 30 1HD LYS 30 -10.512 12.764 -0.080
211 2HD LYS 30 2HD LYS 30 -8.866 13.266 0.194
212 1HE LYS 30 1HE LYS 30 -10.820 14.613 -1.740
213 2HE LYS 30 2HE LYS 30 -10.383 15.157 -0.118
214 1HZ LYS 30 2HZ LYS 30 -7.978 15.135 -1.146
215 2HZ LYS 30 3HZ LYS 30 -8.792 15.356 -2.546
216 3HZ LYS 30 1HZ LYS 30 -8.960 16.410 -1.337
217 H ALA 31 H ALA 31 -4.327 11.953 -1.934
218 HA ALA 31 HA ALA 31 -3.110 9.784 -0.588
219 1HB ALA 31 1HB ALA 31 -2.052 11.386 -2.315
220 2HB ALA 31 2HB ALA 31 -2.056 12.611 -1.052
221 3HB ALA 31 3HB ALA 31 -1.078 11.139 -0.855
222 H ARG 32 H ARG 32 -2.057 9.758 1.558
223 HA ARG 32 HA ARG 32 -3.332 11.747 3.438
224 1HB ARG 32 1HB ARG 32 -2.252 8.985 4.009
225 2HB ARG 32 2HB ARG 32 -2.793 10.150 5.222
226 1HG ARG 32 1HG ARG 32 -4.526 8.883 3.069
227 2HG ARG 32 2HG ARG 32 -4.497 8.531 4.801
228 1HD ARG 32 1HD ARG 32 -6.415 9.850 4.540
229 2HD ARG 32 2HD ARG 32 -5.193 10.949 5.210
230 HE ARG 32 HE ARG 32 -5.500 10.891 2.250
231 1HH1 ARG 32 1HH2 ARG 32 -6.842 12.411 5.124
232 2HH1 ARG 32 2HH2 ARG 32 -6.987 13.992 4.411
233 1HH2 ARG 32 1HH1 ARG 32 -5.327 13.014 1.449
234 2HH2 ARG 32 2HH1 ARG 32 -6.198 14.336 2.119
235 H HIS 33 H HIS 33 -0.198 10.539 2.290
236 HA HIS 33 HA HIS 33 0.946 12.825 3.867
237 1HB HIS 33 2HB HIS 33 2.483 10.377 3.007
238 2HB HIS 33 1HB HIS 33 3.116 11.810 3.809
239 HD1 HIS 33 HD1 HIS 33 -0.018 11.155 5.463
240 HD2 HIS 33 HD2 HIS 33 3.830 9.525 5.600
241 HE1 HIS 33 HE1 HIS 33 -0.027 9.482 7.347
242 H GLY 34 H GLY 34 2.346 14.149 2.734
243 1HA GLY 34 1HA GLY 34 2.912 13.646 -0.048
244 2HA GLY 34 2HA GLY 34 1.937 15.095 0.239
245 H SER 35 H SER 35 4.887 14.791 -0.595
246 HA SER 35 HA SER 35 6.087 16.628 1.287
247 1HB SER 35 1HB SER 35 6.141 13.854 2.092
248 2HB SER 35 2HB SER 35 7.732 14.174 1.428
249 HG SER 35 HG SER 35 7.616 14.681 3.629
250 H CYS 36 H CYS 36 7.700 17.613 0.293
251 HA CYS 36 HA CYS 36 8.503 16.903 -2.438
252 1HB CYS 36 1HB CYS 36 8.326 19.268 -1.828
253 2HB CYS 36 2HB CYS 36 9.474 19.016 -0.479
254 H ASN 37 H ASN 37 10.451 15.952 -2.986
255 HA ASN 37 HA ASN 37 12.516 15.629 -0.880
256 1HB ASN 37 1HB ASN 37 11.105 13.471 -1.225
257 2HB ASN 37 2HB ASN 37 11.891 13.353 -2.805
258 1HD2 ASN 37 2HD2 ASN 37 15.089 12.488 -1.317
259 2HD2 ASN 37 1HD2 ASN 37 14.395 13.154 -2.778
260 H TYR 38 H TYR 38 14.682 15.554 -1.830
261 HA TYR 38 HA TYR 38 14.923 16.962 -4.350
262 1HB TYR 38 1HB TYR 38 16.695 17.170 -2.683
263 2HB TYR 38 2HB TYR 38 17.038 15.439 -2.805
264 HD1 TYR 38 HD2 TYR 38 17.216 18.708 -4.587
265 HD2 TYR 38 HD1 TYR 38 18.207 14.519 -4.784
266 HE1 TYR 38 HE2 TYR 38 18.159 19.023 -6.853
267 HE2 TYR 38 HE1 TYR 38 18.940 14.810 -7.133
268 HH TYR 38 HH TYR 38 18.380 17.812 -8.976
269 H VAL 39 H VAL 39 15.162 16.121 -6.346
270 HA VAL 39 HA VAL 39 16.235 13.689 -7.075
271 HB VAL 39 HB VAL 39 14.268 12.533 -6.292
272 1HG1 VAL 39 1HG1 VAL 39 12.650 14.590 -7.819
273 2HG1 VAL 39 2HG1 VAL 39 11.991 13.083 -7.126
274 3HG1 VAL 39 3HG1 VAL 39 12.659 14.326 -6.064
275 1HG2 VAL 39 2HG2 VAL 39 15.138 11.835 -8.527
276 2HG2 VAL 39 3HG2 VAL 39 13.448 11.426 -8.201
277 3HG2 VAL 39 1HG2 VAL 39 13.818 12.782 -9.270
278 H PHE 40 H PHE 40 15.908 13.560 -9.582
279 HA PHE 40 HA PHE 40 16.676 16.003 -10.591
280 1HB PHE 40 1HB PHE 40 16.795 15.016 -12.680
281 2HB PHE 40 2HB PHE 40 16.948 13.645 -11.612
282 HD1 PHE 40 HD2 PHE 40 14.992 12.027 -11.385
283 HD2 PHE 40 HD1 PHE 40 14.960 15.298 -14.204
284 HE1 PHE 40 HE2 PHE 40 13.151 10.942 -12.635
285 HE2 PHE 40 HE1 PHE 40 13.133 14.198 -15.456
286 HZ PHE 40 HZ PHE 40 12.229 12.014 -14.681
287 HA PRO 41 HA PRO 41 16.611 17.364 -12.426
288 1HB PRO 41 1HB PRO 41 16.036 19.919 -13.037
289 2HB PRO 41 2HB PRO 41 15.472 18.549 -14.044
290 1HG PRO 41 1HG PRO 41 13.884 20.059 -11.954
291 2HG PRO 41 2HG PRO 41 13.399 19.652 -13.621
292 1HD PRO 41 1HD PRO 41 12.689 18.097 -11.454
293 2HD PRO 41 2HD PRO 41 13.007 17.396 -13.066
294 H ALA 42 H ALA 42 14.395 18.941 -10.075
295 HA ALA 42 HA ALA 42 16.572 19.523 -8.237
296 1HB ALA 42 3HB ALA 42 16.944 21.317 -9.899
297 2HB ALA 42 1HB ALA 42 15.252 21.834 -9.712
298 3HB ALA 42 2HB ALA 42 16.386 21.971 -8.350
299 H HIS 43 H HIS 43 14.558 17.999 -7.702
300 HA HIS 43 HA HIS 43 13.387 17.714 -5.733
301 1HB HIS 43 2HB HIS 43 12.470 20.628 -5.824
302 2HB HIS 43 1HB HIS 43 12.020 19.437 -4.680
303 HD1 HIS 43 HD1 HIS 43 14.895 21.592 -5.616
304 HD2 HIS 43 HD2 HIS 43 13.917 18.783 -2.671
305 HE1 HIS 43 HE1 HIS 43 16.666 21.776 -3.762
306 H LYS 44 H LYS 44 11.549 16.572 -5.828
307 HA LYS 44 HA LYS 44 9.371 17.516 -7.652
308 1HB LYS 44 1HB LYS 44 10.311 14.666 -7.247
309 2HB LYS 44 2HB LYS 44 8.740 15.107 -7.900
310 1HG LYS 44 1HG LYS 44 9.681 16.208 -9.805
311 2HG LYS 44 2HG LYS 44 11.343 15.984 -9.219
312 1HD LYS 44 1HD LYS 44 11.267 13.623 -9.513
313 2HD LYS 44 2HD LYS 44 9.505 13.601 -9.468
314 1HE LYS 44 1HE LYS 44 9.952 13.098 -11.691
315 2HE LYS 44 2HE LYS 44 9.502 14.806 -11.722
316 1HZ LYS 44 1HZ LYS 44 11.945 15.253 -11.690
317 2HZ LYS 44 2HZ LYS 44 12.235 13.676 -11.858
318 3HZ LYS 44 3HZ LYS 44 11.445 14.460 -13.054
319 H CYS 45 H CYS 45 7.335 17.132 -6.914
320 HA CYS 45 HA CYS 45 6.970 16.925 -4.009
321 1HB CYS 45 1HB CYS 45 5.759 18.650 -5.178
322 2HB CYS 45 2HB CYS 45 5.113 17.494 -6.339
323 H ILE 46 H ILE 46 6.988 14.847 -3.191
324 HA ILE 46 HA ILE 46 5.942 12.621 -4.874
325 HB ILE 46 HB ILE 46 7.486 12.493 -2.263
326 1HG1 ILE 46 1HG1 ILE 46 8.985 13.554 -3.826
327 2HG1 ILE 46 2HG1 ILE 46 9.475 11.886 -3.572
328 1HG2 ILE 46 2HG2 ILE 46 6.822 10.391 -4.369
329 2HG2 ILE 46 3HG2 ILE 46 7.931 10.148 -3.003
330 3HG2 ILE 46 1HG2 ILE 46 6.223 10.468 -2.709
331 1HD1 ILE 46 1HD1 ILE 46 8.436 11.243 -5.750
332 2HD1 ILE 46 2HD1 ILE 46 7.969 12.940 -6.012
333 3HD1 ILE 46 3HD1 ILE 46 9.677 12.491 -5.925
334 H CYS 47 H CYS 47 4.305 11.219 -3.922
335 HA CYS 47 HA CYS 47 3.049 12.221 -1.488
336 1HB CYS 47 1HB CYS 47 2.197 13.509 -3.589
337 2HB CYS 47 2HB CYS 47 1.324 12.006 -3.957
338 H TYR 48 H TYR 48 1.452 10.840 -0.519
339 HA TYR 48 HA TYR 48 1.838 8.017 -1.356
340 1HB TYR 48 1HB TYR 48 2.269 8.900 1.475
341 2HB TYR 48 2HB TYR 48 2.756 7.417 0.683
342 HD1 TYR 48 HD2 TYR 48 3.506 11.082 0.919
343 HD2 TYR 48 HD1 TYR 48 4.933 7.199 -0.257
344 HE1 TYR 48 HE2 TYR 48 5.758 12.029 0.535
345 HE2 TYR 48 HE1 TYR 48 7.216 8.123 -0.533
346 HH TYR 48 HH TYR 48 8.554 10.009 -0.374
347 H PHE 49 H PHE 49 0.182 6.693 -0.988
348 HA PHE 49 HA PHE 49 -2.181 7.658 0.502
349 1HB PHE 49 1HB PHE 49 -2.440 5.616 -1.675
350 2HB PHE 49 2HB PHE 49 -3.538 6.860 -1.162
351 HD1 PHE 49 HD1 PHE 49 -0.292 6.377 -2.999
352 HD2 PHE 49 HD2 PHE 49 -3.904 8.688 -2.710
353 HE1 PHE 49 HE1 PHE 49 0.837 8.264 -4.069
354 HE2 PHE 49 HE2 PHE 49 -2.968 10.299 -4.348
355 HZ PHE 49 HZ PHE 49 -0.534 10.220 -4.903
356 HA PRO 50 HA PRO 50 -1.632 3.730 2.792
357 1HB PRO 50 1HB PRO 50 -4.262 3.249 3.494
358 2HB PRO 50 2HB PRO 50 -3.226 4.464 4.306
359 1HG PRO 50 1HG PRO 50 -5.250 4.895 2.100
360 2HG PRO 50 2HG PRO 50 -5.058 5.834 3.608
361 1HD PRO 50 1HD PRO 50 -4.015 6.656 1.230
362 2HD PRO 50 2HD PRO 50 -3.098 6.917 2.763
363 H CYS 51 H CYS 51 -1.363 1.752 1.755
364 HA CYS 51 HA CYS 51 -3.333 0.818 -0.264
365 1HB CYS 51 1HB CYS 51 -2.152 2.509 -1.469
366 2HB CYS 51 2HB CYS 51 -0.625 2.039 -0.737
No H/Q in entry = 366
Start of MODEL 9
1 HA PCA 1 HA PYR 1 0.366 1.973 6.069
2 1HB PCA 1 1HB PYR 1 -1.595 -0.277 5.667
3 2HB PCA 1 2HB PYR 1 -0.885 0.343 7.178
4 1HG PCA 1 1HG PYR 1 -3.491 0.926 6.253
5 2HG PCA 1 2HG PYR 1 -2.573 1.960 7.389
6 HN PCA 1 HN PYR 1 -0.884 3.209 4.141
7 H LYS 2 H LYS 2 -1.413 0.178 3.510
8 HA LYS 2 HA LYS 2 1.082 -0.852 2.300
9 1HB LYS 2 1HB LYS 2 -1.027 -2.184 2.365
10 2HB LYS 2 2HB LYS 2 -1.828 -0.947 1.412
11 1HG LYS 2 1HG LYS 2 0.317 -1.492 -0.249
12 2HG LYS 2 2HG LYS 2 0.258 -2.986 0.671
13 1HD LYS 2 1HD LYS 2 -1.077 -3.499 -1.135
14 2HD LYS 2 2HD LYS 2 -2.302 -3.026 0.039
15 1HE LYS 2 1HE LYS 2 -1.100 -1.279 -2.193
16 2HE LYS 2 2HE LYS 2 -2.677 -2.077 -2.258
17 1HZ LYS 2 2HZ LYS 2 -3.367 -0.652 -0.407
18 2HZ LYS 2 3HZ LYS 2 -1.885 0.083 -0.440
19 3HZ LYS 2 1HZ LYS 2 -2.890 0.222 -1.711
20 H LEU 3 H LEU 3 1.800 1.488 2.290
21 HA LEU 3 HA LEU 3 0.429 3.437 0.684
22 1HB LEU 3 1HB LEU 3 3.213 3.434 1.796
23 2HB LEU 3 2HB LEU 3 2.433 4.844 1.088
24 HG LEU 3 HG LEU 3 1.326 3.390 3.527
25 1HD1 LEU 3 1HD1 LEU 3 3.581 4.363 3.941
26 2HD1 LEU 3 2HD1 LEU 3 2.970 5.941 3.407
27 3HD1 LEU 3 3HD1 LEU 3 2.298 5.165 4.858
28 1HD2 LEU 3 3HD2 LEU 3 0.683 6.084 2.237
29 2HD2 LEU 3 1HD2 LEU 3 -0.402 4.684 2.347
30 3HD2 LEU 3 2HD2 LEU 3 0.075 5.549 3.814
31 H CYS 4 H CYS 4 1.106 4.541 -1.134
32 HA CYS 4 HA CYS 4 3.254 3.352 -2.824
33 1HB CYS 4 1HB CYS 4 0.657 4.596 -3.856
34 2HB CYS 4 2HB CYS 4 1.992 3.943 -4.799
35 H GLU 5 H GLU 5 4.796 4.905 -3.105
36 HA GLU 5 HA GLU 5 4.295 7.705 -2.350
37 1HB GLU 5 1HB GLU 5 6.772 6.333 -3.522
38 2HB GLU 5 2HB GLU 5 6.646 7.999 -2.947
39 1HG GLU 5 1HG GLU 5 5.923 7.044 -0.694
40 2HG GLU 5 2HG GLU 5 6.386 5.447 -1.296
41 HE2 GLU 5 HE2 GLU 5 9.332 6.463 0.392
42 H ARG 6 H ARG 6 2.812 8.493 -3.856
43 HA ARG 6 HA ARG 6 3.303 8.051 -6.746
44 1HB ARG 6 1HB ARG 6 0.998 7.815 -5.760
45 2HB ARG 6 2HB ARG 6 1.076 9.519 -5.332
46 1HG ARG 6 1HG ARG 6 -0.103 9.585 -7.288
47 2HG ARG 6 2HG ARG 6 1.502 9.960 -7.877
48 1HD ARG 6 1HD ARG 6 0.314 7.135 -7.874
49 2HD ARG 6 2HD ARG 6 -0.055 8.269 -9.156
50 HE ARG 6 HE ARG 6 2.380 6.759 -8.790
51 1HH1 ARG 6 1HH2 ARG 6 1.093 9.784 -10.150
52 2HH1 ARG 6 2HH2 ARG 6 2.392 10.022 -11.244
53 1HH2 ARG 6 2HH1 ARG 6 3.964 6.895 -10.495
54 2HH2 ARG 6 1HH1 ARG 6 3.928 8.234 -11.599
55 HA PRO 7 HA PRO 7 5.162 12.223 -6.476
56 1HB PRO 7 1HB PRO 7 6.152 12.391 -9.052
57 2HB PRO 7 2HB PRO 7 6.980 11.594 -7.693
58 1HG PRO 7 1HG PRO 7 5.378 10.281 -9.880
59 2HG PRO 7 2HG PRO 7 6.905 9.748 -9.140
60 1HD PRO 7 1HD PRO 7 4.454 8.735 -8.437
61 2HD PRO 7 2HD PRO 7 5.793 8.836 -7.279
62 H SER 8 H SER 8 3.879 11.570 -9.829
63 HA SER 8 HA SER 8 2.259 13.952 -9.741
64 1HB SER 8 1HB SER 8 1.416 12.689 -11.933
65 2HB SER 8 2HB SER 8 2.973 13.508 -11.834
66 HG SER 8 HG SER 8 3.410 11.549 -12.669
67 H GLY 9 H GLY 9 1.173 13.428 -7.721
68 1HA GLY 9 1HA GLY 9 -1.205 11.640 -7.923
69 2HA GLY 9 2HA GLY 9 -0.763 12.703 -6.564
70 H THR 10 H THR 10 -0.366 15.037 -7.640
71 HA THR 10 HA THR 10 -2.444 15.871 -9.564
72 HB THR 10 HB THR 10 -2.584 18.015 -7.981
73 HG1 THR 10 HG1 THR 10 -2.023 15.869 -6.193
74 1HG2 THR 10 1HG2 THR 10 -4.513 16.686 -8.674
75 2HG2 THR 10 2HG2 THR 10 -4.176 15.488 -7.407
76 3HG2 THR 10 3HG2 THR 10 -4.639 17.156 -6.974
77 H TRP 11 H TRP 11 0.043 17.089 -7.363
78 HA TRP 11 HA TRP 11 1.129 19.022 -9.046
79 1HB TRP 11 1HB TRP 11 1.270 18.647 -6.511
80 2HB TRP 11 2HB TRP 11 2.679 17.654 -6.829
81 HD1 TRP 11 HD1 TRP 11 4.195 19.486 -8.943
82 HE1 TRP 11 HE1 TRP 11 5.045 21.830 -8.349
83 HE3 TRP 11 HE3 TRP 11 1.344 20.348 -4.790
84 HZ2 TRP 11 HZ2 TRP 11 4.506 23.844 -6.380
85 HZ3 TRP 11 HZ3 TRP 11 1.524 22.509 -3.586
86 HH2 TRP 11 HH2 TRP 11 3.186 24.185 -4.293
87 H SER 12 H SER 12 1.218 17.666 -11.025
88 HA SER 12 HA SER 12 3.467 15.816 -11.324
89 1HB SER 12 1HB SER 12 1.494 16.916 -13.374
90 2HB SER 12 2HB SER 12 2.513 15.477 -13.536
91 HG SER 12 HG SER 12 0.394 15.920 -11.658
92 H GLY 13 H GLY 13 4.843 17.841 -10.545
93 1HA GLY 13 1HA GLY 13 6.377 18.811 -12.768
94 2HA GLY 13 2HA GLY 13 5.269 20.071 -12.181
95 H VAL 14 H VAL 14 7.552 21.010 -11.820
96 HA VAL 14 HA VAL 14 9.219 20.092 -9.716
97 HB VAL 14 HB VAL 14 8.786 22.938 -10.705
98 1HG1 VAL 14 3HG1 VAL 14 11.122 21.677 -9.206
99 2HG1 VAL 14 1HG1 VAL 14 11.106 23.312 -9.896
100 3HG1 VAL 14 2HG1 VAL 14 10.008 22.909 -8.574
101 1HG2 VAL 14 1HG2 VAL 14 10.745 20.780 -11.621
102 2HG2 VAL 14 2HG2 VAL 14 9.434 21.482 -12.590
103 3HG2 VAL 14 3HG2 VAL 14 10.807 22.483 -12.119
104 H CYS 15 H CYS 15 9.097 20.358 -7.538
105 HA CYS 15 HA CYS 15 6.453 20.708 -6.492
106 1HB CYS 15 1HB CYS 15 7.224 19.776 -4.568
107 2HB CYS 15 2HB CYS 15 8.411 19.179 -5.730
108 H GLY 16 H GLY 16 9.291 22.828 -6.498
109 1HA GLY 16 1HA GLY 16 9.526 25.017 -5.811
110 2HA GLY 16 2HA GLY 16 7.801 25.087 -5.441
111 H ASN 17 H ASN 17 7.582 23.035 -3.468
112 HA ASN 17 HA ASN 17 9.380 23.605 -1.267
113 1HB ASN 17 1HB ASN 17 8.316 25.802 -1.362
114 2HB ASN 17 2HB ASN 17 6.715 25.058 -1.482
115 1HD2 ASN 17 2HD2 ASN 17 8.600 25.260 2.176
116 2HD2 ASN 17 1HD2 ASN 17 9.516 25.529 0.706
117 H ASN 18 H ASN 18 9.096 22.183 0.383
118 HA ASN 18 HA ASN 18 7.622 19.862 0.131
119 1HB ASN 18 1HB ASN 18 9.647 20.333 1.585
120 2HB ASN 18 2HB ASN 18 8.608 21.170 2.720
121 1HD2 ASN 18 2HD2 ASN 18 8.566 17.118 2.654
122 2HD2 ASN 18 1HD2 ASN 18 9.621 17.948 1.514
123 H ASN 19 H ASN 19 6.975 22.411 2.441
124 HA ASN 19 HA ASN 19 4.543 21.462 3.465
125 1HB ASN 19 1HB ASN 19 5.692 23.285 4.536
126 2HB ASN 19 2HB ASN 19 5.402 24.357 3.161
127 1HD2 ASN 19 2HD2 ASN 19 2.169 25.254 4.245
128 2HD2 ASN 19 1HD2 ASN 19 3.492 25.549 3.134
129 H ALA 20 H ALA 20 4.972 23.662 0.641
130 HA ALA 20 HA ALA 20 2.192 23.879 0.072
131 1HB ALA 20 2HB ALA 20 3.954 25.314 -0.969
132 2HB ALA 20 3HB ALA 20 4.443 23.929 -1.980
133 3HB ALA 20 1HB ALA 20 2.808 24.610 -2.120
134 H CYS 21 H CYS 21 4.646 21.638 -1.357
135 HA CYS 21 HA CYS 21 2.979 20.138 -2.990
136 1HB CYS 21 1HB CYS 21 5.236 19.631 -3.192
137 2HB CYS 21 2HB CYS 21 5.481 19.522 -1.450
138 H LYS 22 H LYS 22 3.863 19.397 0.351
139 HA LYS 22 HA LYS 22 2.309 17.161 0.931
140 1HB LYS 22 1HB LYS 22 4.049 18.114 2.344
141 2HB LYS 22 2HB LYS 22 3.134 19.593 2.591
142 1HG LYS 22 1HG LYS 22 1.370 18.318 3.815
143 2HG LYS 22 2HG LYS 22 2.343 16.878 3.683
144 1HD LYS 22 1HD LYS 22 2.700 19.393 5.298
145 2HD LYS 22 2HD LYS 22 2.882 17.729 5.835
146 1HE LYS 22 1HE LYS 22 4.859 19.390 4.181
147 2HE LYS 22 2HE LYS 22 5.023 18.984 5.882
148 1HZ LYS 22 2HZ LYS 22 4.956 16.942 3.761
149 2HZ LYS 22 3HZ LYS 22 6.332 17.648 4.255
150 3HZ LYS 22 1HZ LYS 22 5.434 16.743 5.307
151 H ASN 23 H ASN 23 1.499 20.579 1.630
152 HA ASN 23 HA ASN 23 -1.047 20.093 2.650
153 1HB ASN 23 1HB ASN 23 0.184 22.192 2.955
154 2HB ASN 23 2HB ASN 23 0.050 22.582 1.238
155 1HD2 ASN 23 2HD2 ASN 23 -2.582 24.325 3.421
156 2HD2 ASN 23 1HD2 ASN 23 -0.870 24.048 3.690
157 H GLN 24 H GLN 24 -0.229 21.384 -0.643
158 HA GLN 24 HA GLN 24 -2.875 21.299 -1.616
159 1HB GLN 24 1HB GLN 24 -0.922 22.486 -2.652
160 2HB GLN 24 2HB GLN 24 -0.362 20.921 -3.278
161 1HG GLN 24 1HG GLN 24 -2.420 20.671 -4.583
162 2HG GLN 24 2HG GLN 24 -3.150 22.068 -3.771
163 1HE2 GLN 24 2HE2 GLN 24 -0.344 22.773 -6.696
164 2HE2 GLN 24 1HE2 GLN 24 -0.292 21.263 -5.802
165 H CYS 25 H CYS 25 -0.386 18.644 -1.678
166 HA CYS 25 HA CYS 25 -2.004 16.887 -3.163
167 1HB CYS 25 1HB CYS 25 0.316 16.291 -2.536
168 2HB CYS 25 2HB CYS 25 -0.205 16.026 -0.871
169 H ILE 26 H ILE 26 -1.784 16.995 0.469
170 HA ILE 26 HA ILE 26 -3.939 15.029 0.625
171 HB ILE 26 HB ILE 26 -3.618 15.116 2.979
172 1HG1 ILE 26 1HG1 ILE 26 -2.139 17.744 2.582
173 2HG1 ILE 26 2HG1 ILE 26 -3.668 17.483 3.433
174 1HG2 ILE 26 2HG2 ILE 26 -1.810 14.106 1.539
175 2HG2 ILE 26 3HG2 ILE 26 -0.870 15.594 1.738
176 3HG2 ILE 26 1HG2 ILE 26 -1.264 14.604 3.139
177 1HD1 ILE 26 1HD1 ILE 26 -2.450 16.025 5.077
178 2HD1 ILE 26 2HD1 ILE 26 -0.923 16.527 4.309
179 3HD1 ILE 26 3HD1 ILE 26 -1.963 17.733 5.078
180 H ASN 27 H ASN 27 -3.842 18.445 0.421
181 HA ASN 27 HA ASN 27 -6.385 19.028 1.685
182 1HB ASN 27 1HB ASN 27 -4.506 20.559 1.545
183 2HB ASN 27 2HB ASN 27 -4.632 20.620 -0.232
184 1HD2 ASN 27 2HD2 ASN 27 -6.213 23.638 1.259
185 2HD2 ASN 27 1HD2 ASN 27 -4.620 22.875 1.351
186 H LEU 28 H LEU 28 -5.199 18.902 -1.746
187 HA LEU 28 HA LEU 28 -7.902 18.948 -2.822
188 1HB LEU 28 1HB LEU 28 -5.129 18.606 -3.970
189 2HB LEU 28 2HB LEU 28 -6.532 18.140 -4.915
190 HG LEU 28 HG LEU 28 -7.501 20.354 -4.771
191 1HD1 LEU 28 3HD1 LEU 28 -5.085 21.049 -3.053
192 2HD1 LEU 28 1HD1 LEU 28 -6.130 22.256 -3.831
193 3HD1 LEU 28 2HD1 LEU 28 -6.798 21.174 -2.606
194 1HD2 LEU 28 1HD2 LEU 28 -5.925 19.841 -6.588
195 2HD2 LEU 28 2HD2 LEU 28 -5.818 21.549 -6.125
196 3HD2 LEU 28 3HD2 LEU 28 -4.568 20.405 -5.592
197 H GLU 29 H GLU 29 -5.407 16.258 -3.024
198 HA GLU 29 HA GLU 29 -7.752 14.425 -3.256
199 1HB GLU 29 1HB GLU 29 -6.186 12.701 -3.826
200 2HB GLU 29 2HB GLU 29 -6.082 14.057 -4.937
201 1HG GLU 29 1HG GLU 29 -4.112 13.952 -2.643
202 2HG GLU 29 2HG GLU 29 -3.950 12.788 -3.948
203 HE1 GLU 29 HE2 GLU 29 -3.505 16.624 -5.118
204 H LYS 30 H LYS 30 -7.519 12.345 -1.846
205 HA LYS 30 HA LYS 30 -7.330 13.458 0.882
206 1HB LYS 30 1HB LYS 30 -8.663 10.885 0.105
207 2HB LYS 30 2HB LYS 30 -8.823 11.823 1.586
208 1HG LYS 30 1HG LYS 30 -10.159 12.147 -1.025
209 2HG LYS 30 2HG LYS 30 -10.761 12.427 0.595
210 1HD LYS 30 1HD LYS 30 -9.273 14.335 -1.238
211 2HD LYS 30 2HD LYS 30 -10.892 14.435 -0.645
212 1HE LYS 30 1HE LYS 30 -10.336 15.661 1.097
213 2HE LYS 30 2HE LYS 30 -9.145 14.504 1.675
214 1HZ LYS 30 1HZ LYS 30 -8.579 16.459 -0.500
215 2HZ LYS 30 2HZ LYS 30 -8.309 16.808 1.052
216 3HZ LYS 30 3HZ LYS 30 -7.471 15.609 0.373
217 H ALA 31 H ALA 31 -5.025 12.294 -0.769
218 HA ALA 31 HA ALA 31 -3.736 10.179 0.437
219 1HB ALA 31 3HB ALA 31 -2.838 11.579 -1.415
220 2HB ALA 31 1HB ALA 31 -2.654 12.934 -0.290
221 3HB ALA 31 2HB ALA 31 -1.677 11.467 -0.059
222 H ARG 32 H ARG 32 -2.006 10.125 2.110
223 HA ARG 32 HA ARG 32 -3.237 11.402 4.504
224 1HB ARG 32 1HB ARG 32 -1.247 9.119 4.426
225 2HB ARG 32 2HB ARG 32 -2.187 9.706 5.803
226 1HG ARG 32 1HG ARG 32 -3.116 8.163 3.370
227 2HG ARG 32 2HG ARG 32 -3.274 7.739 5.070
228 1HD ARG 32 1HD ARG 32 -4.856 9.752 3.458
229 2HD ARG 32 2HD ARG 32 -5.448 8.317 4.262
230 HE ARG 32 HE ARG 32 -4.830 9.418 6.442
231 1HH1 ARG 32 2HH2 ARG 32 -5.842 11.434 3.635
232 2HH1 ARG 32 1HH2 ARG 32 -6.354 12.739 4.635
233 1HH2 ARG 32 1HH1 ARG 32 -5.596 11.151 7.713
234 2HH2 ARG 32 2HH1 ARG 32 -6.278 12.558 6.971
235 H HIS 33 H HIS 33 0.126 10.707 3.495
236 HA HIS 33 HA HIS 33 0.844 13.392 4.555
237 1HB HIS 33 2HB HIS 33 3.196 12.478 4.817
238 2HB HIS 33 1HB HIS 33 1.993 12.111 6.045
239 HD1 HIS 33 HD1 HIS 33 0.805 9.650 5.812
240 HD2 HIS 33 HD2 HIS 33 4.608 10.205 4.150
241 HE1 HIS 33 HE1 HIS 33 1.846 7.356 5.542
242 H GLY 34 H GLY 34 2.631 14.389 3.392
243 1HA GLY 34 1HA GLY 34 3.365 13.428 0.802
244 2HA GLY 34 2HA GLY 34 2.314 14.861 0.713
245 H SER 35 H SER 35 5.065 14.868 -0.099
246 HA SER 35 HA SER 35 6.203 17.007 1.448
247 1HB SER 35 1HB SER 35 6.895 14.205 2.211
248 2HB SER 35 2HB SER 35 8.301 15.127 1.701
249 HG SER 35 HG SER 35 7.804 15.303 3.956
250 H CYS 36 H CYS 36 7.821 17.934 0.265
251 HA CYS 36 HA CYS 36 8.359 16.862 -2.443
252 1HB CYS 36 1HB CYS 36 7.968 19.289 -2.214
253 2HB CYS 36 2HB CYS 36 9.351 19.398 -1.089
254 H ASN 37 H ASN 37 10.295 15.980 -3.005
255 HA ASN 37 HA ASN 37 12.527 16.036 -1.026
256 1HB ASN 37 1HB ASN 37 11.567 13.775 -0.915
257 2HB ASN 37 2HB ASN 37 11.612 13.649 -2.686
258 1HD2 ASN 37 2HD2 ASN 37 14.894 12.372 -2.581
259 2HD2 ASN 37 1HD2 ASN 37 13.245 12.138 -3.142
260 H TYR 38 H TYR 38 14.635 15.761 -2.105
261 HA TYR 38 HA TYR 38 14.624 16.877 -4.864
262 1HB TYR 38 1HB TYR 38 15.895 18.209 -3.232
263 2HB TYR 38 2HB TYR 38 16.888 16.802 -2.856
264 HD1 TYR 38 HD2 TYR 38 15.880 19.125 -5.615
265 HD2 TYR 38 HD1 TYR 38 18.688 16.113 -4.343
266 HE1 TYR 38 HE2 TYR 38 17.118 19.383 -7.734
267 HE2 TYR 38 HE1 TYR 38 19.873 16.317 -6.512
268 HH TYR 38 HH TYR 38 18.702 18.464 -9.121
269 H VAL 39 H VAL 39 15.326 15.747 -6.449
270 HA VAL 39 HA VAL 39 17.299 13.690 -6.365
271 HB VAL 39 HB VAL 39 14.602 12.990 -7.633
272 1HG1 VAL 39 3HG1 VAL 39 17.144 11.371 -7.234
273 2HG1 VAL 39 1HG1 VAL 39 15.616 10.729 -7.867
274 3HG1 VAL 39 2HG1 VAL 39 16.483 11.960 -8.778
275 1HG2 VAL 39 1HG2 VAL 39 15.743 11.869 -5.045
276 2HG2 VAL 39 2HG2 VAL 39 14.236 12.806 -5.233
277 3HG2 VAL 39 3HG2 VAL 39 14.363 11.193 -5.933
278 H PHE 40 H PHE 40 18.046 13.600 -8.767
279 HA PHE 40 HA PHE 40 17.912 16.125 -9.947
280 1HB PHE 40 1HB PHE 40 19.115 15.231 -11.760
281 2HB PHE 40 2HB PHE 40 19.603 14.276 -10.383
282 HD1 PHE 40 HD1 PHE 40 18.768 11.881 -10.169
283 HD2 PHE 40 HD2 PHE 40 17.910 14.310 -13.639
284 HE1 PHE 40 HE1 PHE 40 17.940 9.885 -11.374
285 HE2 PHE 40 HE2 PHE 40 17.096 12.304 -14.833
286 HZ PHE 40 HZ PHE 40 17.092 10.093 -13.701
287 HA PRO 41 HA PRO 41 17.937 17.144 -12.030
288 1HB PRO 41 1HB PRO 41 16.617 18.975 -13.496
289 2HB PRO 41 2HB PRO 41 17.115 17.392 -14.165
290 1HG PRO 41 1HG PRO 41 14.368 18.176 -13.168
291 2HG PRO 41 2HG PRO 41 14.799 17.322 -14.671
292 1HD PRO 41 1HD PRO 41 14.010 16.000 -12.372
293 2HD PRO 41 2HD PRO 41 15.147 15.293 -13.547
294 H ALA 42 H ALA 42 14.563 17.934 -11.078
295 HA ALA 42 HA ALA 42 15.543 20.085 -9.253
296 1HB ALA 42 1HB ALA 42 14.468 20.918 -11.316
297 2HB ALA 42 2HB ALA 42 13.008 19.986 -10.922
298 3HB ALA 42 3HB ALA 42 13.529 21.318 -9.869
299 H HIS 43 H HIS 43 13.791 20.718 -7.690
300 HA HIS 43 HA HIS 43 13.283 18.608 -5.856
301 1HB HIS 43 2HB HIS 43 12.166 21.441 -6.085
302 2HB HIS 43 1HB HIS 43 11.967 20.422 -4.678
303 HD1 HIS 43 HD1 HIS 43 14.546 22.593 -6.327
304 HD2 HIS 43 HD2 HIS 43 14.204 19.993 -3.052
305 HE1 HIS 43 HE1 HIS 43 16.620 22.894 -4.903
306 H LYS 44 H LYS 44 11.489 17.311 -5.579
307 HA LYS 44 HA LYS 44 9.212 17.662 -7.483
308 1HB LYS 44 1HB LYS 44 9.393 15.228 -7.962
309 2HB LYS 44 2HB LYS 44 10.676 16.252 -8.623
310 1HG LYS 44 1HG LYS 44 12.216 15.548 -6.797
311 2HG LYS 44 2HG LYS 44 10.920 14.609 -6.063
312 1HD LYS 44 1HD LYS 44 12.398 13.144 -7.302
313 2HD LYS 44 2HD LYS 44 10.788 13.133 -7.998
314 1HE LYS 44 1HE LYS 44 12.657 13.156 -9.681
315 2HE LYS 44 2HE LYS 44 11.452 14.424 -9.910
316 1HZ LYS 44 1HZ LYS 44 14.031 14.921 -8.528
317 2HZ LYS 44 2HZ LYS 44 13.845 15.055 -10.109
318 3HZ LYS 44 3HZ LYS 44 12.999 16.041 -9.079
319 H CYS 45 H CYS 45 7.272 17.083 -6.800
320 HA CYS 45 HA CYS 45 6.875 16.851 -3.953
321 1HB CYS 45 1HB CYS 45 5.453 18.263 -5.373
322 2HB CYS 45 2HB CYS 45 4.923 16.836 -6.275
323 H ILE 46 H ILE 46 6.539 14.943 -2.800
324 HA ILE 46 HA ILE 46 5.776 12.472 -4.299
325 HB ILE 46 HB ILE 46 7.340 12.728 -1.698
326 1HG1 ILE 46 1HG1 ILE 46 8.796 13.421 -3.526
327 2HG1 ILE 46 2HG1 ILE 46 9.286 11.870 -2.854
328 1HG2 ILE 46 3HG2 ILE 46 6.507 10.311 -3.328
329 2HG2 ILE 46 1HG2 ILE 46 7.676 10.271 -1.985
330 3HG2 ILE 46 2HG2 ILE 46 5.998 10.730 -1.688
331 1HD1 ILE 46 2HD1 ILE 46 8.253 10.686 -4.780
332 2HD1 ILE 46 3HD1 ILE 46 7.751 12.251 -5.463
333 3HD1 ILE 46 1HD1 ILE 46 9.468 11.866 -5.293
334 H CYS 47 H CYS 47 3.840 11.549 -3.603
335 HA CYS 47 HA CYS 47 2.775 12.507 -1.001
336 1HB CYS 47 1HB CYS 47 1.783 13.720 -2.989
337 2HB CYS 47 2HB CYS 47 1.056 12.175 -3.448
338 H TYR 48 H TYR 48 1.603 11.065 0.220
339 HA TYR 48 HA TYR 48 2.120 8.224 -0.526
340 1HB TYR 48 1HB TYR 48 1.998 9.639 2.152
341 2HB TYR 48 2HB TYR 48 2.192 7.912 1.923
342 HD1 TYR 48 HD2 TYR 48 3.824 11.193 1.033
343 HD2 TYR 48 HD1 TYR 48 4.357 7.002 1.881
344 HE1 TYR 48 HE2 TYR 48 6.270 11.485 0.913
345 HE2 TYR 48 HE1 TYR 48 6.801 7.340 1.958
346 HH TYR 48 HH TYR 48 8.334 10.423 1.010
347 H PHE 49 H PHE 49 0.292 7.197 -1.120
348 HA PHE 49 HA PHE 49 -2.043 7.353 0.666
349 1HB PHE 49 1HB PHE 49 -3.394 7.035 -1.623
350 2HB PHE 49 2HB PHE 49 -3.086 8.581 -0.880
351 HD1 PHE 49 HD1 PHE 49 -1.074 9.994 -1.660
352 HD2 PHE 49 HD2 PHE 49 -2.822 6.783 -3.950
353 HE1 PHE 49 HE1 PHE 49 -0.975 11.380 -3.695
354 HE2 PHE 49 HE2 PHE 49 -2.484 8.100 -6.020
355 HZ PHE 49 HZ PHE 49 -1.624 10.456 -5.860
356 HA PRO 50 HA PRO 50 -1.618 3.024 0.276
357 1HB PRO 50 1HB PRO 50 -3.941 2.048 1.189
358 2HB PRO 50 2HB PRO 50 -2.857 3.068 2.183
359 1HG PRO 50 1HG PRO 50 -5.292 3.978 0.613
360 2HG PRO 50 2HG PRO 50 -4.943 4.283 2.341
361 1HD PRO 50 1HD PRO 50 -4.312 6.085 0.373
362 2HD PRO 50 2HD PRO 50 -3.276 5.874 1.811
363 H CYS 51 H CYS 51 -1.707 3.879 -2.107
364 HA CYS 51 HA CYS 51 -3.886 3.632 -3.807
365 1HB CYS 51 1HB CYS 51 -2.415 4.298 -5.436
366 2HB CYS 51 2HB CYS 51 -1.396 4.555 -4.088
No H/Q in entry = 366
Start of MODEL 10
1 HA PCA 1 HA PYR 1 -1.500 -0.167 6.141
2 1HB PCA 1 1HB PYR 1 0.859 -1.606 6.653
3 2HB PCA 1 2HB PYR 1 -0.786 -2.178 7.026
4 1HG PCA 1 1HG PYR 1 0.983 -3.117 4.836
5 2HG PCA 1 2HG PYR 1 -0.484 -3.870 5.526
6 HN PCA 1 HN PYR 1 -1.928 -0.663 3.683
7 H LYS 2 H LYS 2 1.447 -1.147 4.384
8 HA LYS 2 HA LYS 2 2.747 1.332 4.257
9 1HB LYS 2 1HB LYS 2 4.025 0.334 2.367
10 2HB LYS 2 2HB LYS 2 3.874 -0.728 3.764
11 1HG LYS 2 1HG LYS 2 3.522 -2.201 2.044
12 2HG LYS 2 2HG LYS 2 1.877 -1.819 2.509
13 1HD LYS 2 1HD LYS 2 2.377 0.070 0.492
14 2HD LYS 2 2HD LYS 2 3.425 -1.236 0.012
15 1HE LYS 2 1HE LYS 2 1.207 -1.358 -1.054
16 2HE LYS 2 2HE LYS 2 1.523 -2.808 -0.089
17 1HZ LYS 2 2HZ LYS 2 0.048 -0.548 1.062
18 2HZ LYS 2 3HZ LYS 2 -0.734 -1.590 0.087
19 3HZ LYS 2 1HZ LYS 2 -0.060 -2.141 1.471
20 H LEU 3 H LEU 3 2.789 2.973 2.728
21 HA LEU 3 HA LEU 3 0.303 3.379 1.215
22 1HB LEU 3 1HB LEU 3 2.664 5.216 1.675
23 2HB LEU 3 2HB LEU 3 1.134 5.664 0.946
24 HG LEU 3 HG LEU 3 0.204 4.647 3.304
25 1HD1 LEU 3 3HD1 LEU 3 2.934 5.905 3.910
26 2HD1 LEU 3 1HD1 LEU 3 1.688 5.542 5.121
27 3HD1 LEU 3 2HD1 LEU 3 2.481 4.230 4.255
28 1HD2 LEU 3 3HD2 LEU 3 -0.297 6.890 2.319
29 2HD2 LEU 3 1HD2 LEU 3 -0.058 6.906 4.080
30 3HD2 LEU 3 2HD2 LEU 3 1.220 7.493 3.022
31 H CYS 4 H CYS 4 0.701 4.506 -1.012
32 HA CYS 4 HA CYS 4 3.136 3.475 -2.410
33 1HB CYS 4 1HB CYS 4 0.307 3.426 -3.522
34 2HB CYS 4 2HB CYS 4 1.768 3.296 -4.493
35 H GLU 5 H GLU 5 3.986 4.947 -3.870
36 HA GLU 5 HA GLU 5 3.337 7.716 -3.163
37 1HB GLU 5 1HB GLU 5 5.673 6.443 -4.642
38 2HB GLU 5 2HB GLU 5 5.532 8.165 -4.267
39 1HG GLU 5 1HG GLU 5 5.439 7.678 -1.868
40 2HG GLU 5 2HG GLU 5 5.615 5.942 -2.177
41 HE1 GLU 5 HE2 GLU 5 8.999 6.503 -3.402
42 H ARG 6 H ARG 6 2.978 9.369 -4.649
43 HA ARG 6 HA ARG 6 2.998 8.735 -7.536
44 1HB ARG 6 1HB ARG 6 0.545 8.922 -6.373
45 2HB ARG 6 2HB ARG 6 0.887 10.641 -6.604
46 1HG ARG 6 1HG ARG 6 -0.098 10.186 -8.611
47 2HG ARG 6 2HG ARG 6 1.570 9.843 -9.061
48 1HD ARG 6 1HD ARG 6 -0.698 7.923 -8.398
49 2HD ARG 6 2HD ARG 6 0.224 8.075 -9.909
50 HE ARG 6 HE ARG 6 1.738 7.258 -7.483
51 1HH1 ARG 6 2HH1 ARG 6 -0.115 6.014 -10.216
52 2HH1 ARG 6 1HH1 ARG 6 0.627 4.444 -10.174
53 1HH2 ARG 6 2HH2 ARG 6 2.712 5.316 -7.404
54 2HH2 ARG 6 1HH2 ARG 6 2.306 4.011 -8.497
55 HA PRO 7 HA PRO 7 5.681 12.313 -6.958
56 1HB PRO 7 1HB PRO 7 5.650 12.144 -9.976
57 2HB PRO 7 2HB PRO 7 7.031 12.449 -8.886
58 1HG PRO 7 1HG PRO 7 6.667 9.978 -9.955
59 2HG PRO 7 2HG PRO 7 7.093 10.145 -8.224
60 1HD PRO 7 1HD PRO 7 4.347 9.681 -9.425
61 2HD PRO 7 2HD PRO 7 5.141 8.877 -8.031
62 H SER 8 H SER 8 3.231 12.166 -9.608
63 HA SER 8 HA SER 8 2.746 15.000 -9.600
64 1HB SER 8 1HB SER 8 0.741 14.157 -10.994
65 2HB SER 8 2HB SER 8 2.359 13.796 -11.620
66 HG SER 8 HG SER 8 1.054 11.928 -11.638
67 H GLY 9 H GLY 9 0.315 12.560 -9.176
68 1HA GLY 9 1HA GLY 9 -1.416 12.262 -7.605
69 2HA GLY 9 2HA GLY 9 -0.668 13.491 -6.559
70 H THR 10 H THR 10 -0.436 15.591 -7.852
71 HA THR 10 HA THR 10 -2.558 16.439 -9.717
72 HB THR 10 HB THR 10 -2.712 18.590 -8.277
73 HG1 THR 10 HG1 THR 10 -2.377 18.222 -6.081
74 1HG2 THR 10 1HG2 THR 10 -4.602 16.992 -8.508
75 2HG2 THR 10 2HG2 THR 10 -3.973 16.080 -7.122
76 3HG2 THR 10 3HG2 THR 10 -4.537 17.745 -6.902
77 H TRP 11 H TRP 11 -0.065 17.677 -7.575
78 HA TRP 11 HA TRP 11 1.067 19.589 -9.286
79 1HB TRP 11 1HB TRP 11 1.114 19.396 -6.785
80 2HB TRP 11 2HB TRP 11 2.435 18.251 -6.929
81 HD1 TRP 11 HD1 TRP 11 4.250 19.859 -9.043
82 HE1 TRP 11 HE1 TRP 11 5.438 22.011 -8.301
83 HE3 TRP 11 HE3 TRP 11 1.268 21.153 -5.093
84 HZ2 TRP 11 HZ2 TRP 11 5.241 23.918 -6.192
85 HZ3 TRP 11 HZ3 TRP 11 1.855 23.073 -3.669
86 HH2 TRP 11 HH2 TRP 11 3.906 24.385 -4.141
87 H SER 12 H SER 12 1.275 18.292 -11.235
88 HA SER 12 HA SER 12 3.373 16.276 -11.413
89 1HB SER 12 1HB SER 12 1.750 17.646 -13.600
90 2HB SER 12 2HB SER 12 2.637 16.118 -13.722
91 HG SER 12 HG SER 12 0.407 16.667 -12.003
92 H GLY 13 H GLY 13 4.919 18.061 -10.448
93 1HA GLY 13 1HA GLY 13 6.803 18.748 -12.468
94 2HA GLY 13 2HA GLY 13 5.834 20.185 -12.083
95 H VAL 14 H VAL 14 8.030 20.933 -11.479
96 HA VAL 14 HA VAL 14 9.488 19.983 -9.236
97 HB VAL 14 HB VAL 14 9.267 22.790 -10.381
98 1HG1 VAL 14 3HG1 VAL 14 10.398 22.738 -8.151
99 2HG1 VAL 14 1HG1 VAL 14 11.574 21.582 -8.818
100 3HG1 VAL 14 2HG1 VAL 14 11.468 23.222 -9.469
101 1HG2 VAL 14 1HG2 VAL 14 11.170 20.507 -11.087
102 2HG2 VAL 14 2HG2 VAL 14 9.953 21.225 -12.163
103 3HG2 VAL 14 3HG2 VAL 14 11.346 22.181 -11.654
104 H CYS 15 H CYS 15 9.173 20.328 -7.088
105 HA CYS 15 HA CYS 15 6.641 21.604 -6.193
106 1HB CYS 15 1HB CYS 15 7.074 20.668 -4.026
107 2HB CYS 15 2HB CYS 15 7.089 19.397 -5.229
108 H GLY 16 H GLY 16 10.170 21.805 -5.554
109 1HA GLY 16 1HA GLY 16 11.442 23.532 -4.713
110 2HA GLY 16 2HA GLY 16 10.067 24.631 -4.868
111 H ASN 17 H ASN 17 8.165 23.629 -3.255
112 HA ASN 17 HA ASN 17 9.376 23.895 -0.529
113 1HB ASN 17 1HB ASN 17 8.302 25.941 -1.356
114 2HB ASN 17 2HB ASN 17 6.790 25.054 -1.604
115 1HD2 ASN 17 2HD2 ASN 17 7.911 26.194 2.178
116 2HD2 ASN 17 1HD2 ASN 17 8.987 26.431 0.816
117 H ASN 18 H ASN 18 9.136 22.114 0.643
118 HA ASN 18 HA ASN 18 7.622 19.898 0.229
119 1HB ASN 18 1HB ASN 18 9.485 20.259 1.889
120 2HB ASN 18 2HB ASN 18 8.384 21.119 2.943
121 1HD2 ASN 18 2HD2 ASN 18 8.269 17.075 2.872
122 2HD2 ASN 18 1HD2 ASN 18 9.542 17.965 2.039
123 H ASN 19 H ASN 19 6.834 22.413 2.550
124 HA ASN 19 HA ASN 19 4.397 21.463 3.487
125 1HB ASN 19 1HB ASN 19 5.536 23.294 4.573
126 2HB ASN 19 2HB ASN 19 5.255 24.365 3.192
127 1HD2 ASN 19 2HD2 ASN 19 1.927 25.145 4.141
128 2HD2 ASN 19 1HD2 ASN 19 3.217 25.396 2.979
129 H ALA 20 H ALA 20 4.878 23.693 0.707
130 HA ALA 20 HA ALA 20 2.122 24.000 0.096
131 1HB ALA 20 1HB ALA 20 3.909 25.411 -0.876
132 2HB ALA 20 2HB ALA 20 4.462 24.022 -1.847
133 3HB ALA 20 3HB ALA 20 2.837 24.703 -2.100
134 H CYS 21 H CYS 21 4.546 21.759 -1.376
135 HA CYS 21 HA CYS 21 2.787 20.420 -3.086
136 1HB CYS 21 1HB CYS 21 4.942 19.828 -3.535
137 2HB CYS 21 2HB CYS 21 5.409 19.785 -1.832
138 H LYS 22 H LYS 22 3.731 19.519 0.227
139 HA LYS 22 HA LYS 22 2.151 17.259 0.696
140 1HB LYS 22 1HB LYS 22 3.881 18.152 2.205
141 2HB LYS 22 2HB LYS 22 2.929 19.588 2.524
142 1HG LYS 22 1HG LYS 22 1.109 18.126 3.532
143 2HG LYS 22 2HG LYS 22 2.201 16.777 3.400
144 1HD LYS 22 1HD LYS 22 2.265 19.242 5.141
145 2HD LYS 22 2HD LYS 22 2.441 17.564 5.637
146 1HE LYS 22 1HE LYS 22 4.501 19.352 4.257
147 2HE LYS 22 2HE LYS 22 4.547 18.816 5.931
148 1HZ LYS 22 2HZ LYS 22 4.662 16.949 3.658
149 2HZ LYS 22 3HZ LYS 22 5.989 17.653 4.296
150 3HZ LYS 22 1HZ LYS 22 5.061 16.642 5.227
151 H ASN 23 H ASN 23 1.357 20.620 1.649
152 HA ASN 23 HA ASN 23 -1.197 20.058 2.624
153 1HB ASN 23 1HB ASN 23 -0.262 22.184 3.196
154 2HB ASN 23 2HB ASN 23 0.063 22.590 1.505
155 1HD2 ASN 23 2HD2 ASN 23 -2.966 24.317 1.136
156 2HD2 ASN 23 1HD2 ASN 23 -1.284 24.128 0.685
157 H GLN 24 H GLN 24 -0.306 21.523 -0.542
158 HA GLN 24 HA GLN 24 -2.843 21.575 -1.724
159 1HB GLN 24 1HB GLN 24 -0.838 22.662 -2.596
160 2HB GLN 24 2HB GLN 24 -0.058 21.118 -2.900
161 1HG GLN 24 1HG GLN 24 -2.608 22.093 -4.271
162 2HG GLN 24 2HG GLN 24 -0.983 22.300 -4.926
163 1HE2 GLN 24 2HE2 GLN 24 -0.668 18.562 -5.281
164 2HE2 GLN 24 1HE2 GLN 24 0.158 19.726 -4.250
165 H CYS 25 H CYS 25 -0.509 18.772 -1.794
166 HA CYS 25 HA CYS 25 -2.183 17.164 -3.375
167 1HB CYS 25 1HB CYS 25 0.102 16.455 -2.757
168 2HB CYS 25 2HB CYS 25 -0.400 16.169 -1.098
169 H ILE 26 H ILE 26 -2.013 17.188 0.231
170 HA ILE 26 HA ILE 26 -4.234 15.292 0.312
171 HB ILE 26 HB ILE 26 -3.825 15.085 2.596
172 1HG1 ILE 26 1HG1 ILE 26 -2.310 17.715 2.495
173 2HG1 ILE 26 2HG1 ILE 26 -3.834 17.368 3.343
174 1HG2 ILE 26 2HG2 ILE 26 -2.073 14.245 0.997
175 2HG2 ILE 26 3HG2 ILE 26 -1.106 15.693 1.330
176 3HG2 ILE 26 1HG2 ILE 26 -1.451 14.557 2.614
177 1HD1 ILE 26 1HD1 ILE 26 -2.611 15.709 4.769
178 2HD1 ILE 26 2HD1 ILE 26 -1.087 16.276 4.039
179 3HD1 ILE 26 3HD1 ILE 26 -2.089 17.395 4.971
180 H ASN 27 H ASN 27 -4.013 18.687 0.217
181 HA ASN 27 HA ASN 27 -6.483 19.307 1.639
182 1HB ASN 27 1HB ASN 27 -4.504 20.758 1.548
183 2HB ASN 27 2HB ASN 27 -4.750 21.025 -0.193
184 1HD2 ASN 27 2HD2 ASN 27 -6.303 23.643 2.211
185 2HD2 ASN 27 1HD2 ASN 27 -4.783 22.755 2.354
186 H LEU 28 H LEU 28 -5.345 19.341 -1.811
187 HA LEU 28 HA LEU 28 -8.064 19.566 -2.843
188 1HB LEU 28 1HB LEU 28 -5.325 19.111 -4.062
189 2HB LEU 28 2HB LEU 28 -6.780 18.722 -4.970
190 HG LEU 28 HG LEU 28 -7.646 21.031 -4.607
191 1HD1 LEU 28 3HD1 LEU 28 -4.845 21.514 -3.497
192 2HD1 LEU 28 1HD1 LEU 28 -5.978 22.791 -3.982
193 3HD1 LEU 28 2HD1 LEU 28 -6.380 21.730 -2.628
194 1HD2 LEU 28 2HD2 LEU 28 -6.528 20.340 -6.692
195 2HD2 LEU 28 3HD2 LEU 28 -6.190 22.037 -6.313
196 3HD2 LEU 28 1HD2 LEU 28 -4.959 20.799 -6.012
197 H GLU 29 H GLU 29 -5.678 16.805 -3.113
198 HA GLU 29 HA GLU 29 -8.088 15.051 -3.420
199 1HB GLU 29 1HB GLU 29 -6.529 13.333 -4.226
200 2HB GLU 29 2HB GLU 29 -6.662 14.783 -5.219
201 1HG GLU 29 1HG GLU 29 -4.494 15.609 -4.328
202 2HG GLU 29 2HG GLU 29 -4.331 14.121 -3.364
203 HE1 GLU 29 HE2 GLU 29 -4.330 13.538 -7.350
204 H LYS 30 H LYS 30 -7.432 12.744 -2.284
205 HA LYS 30 HA LYS 30 -7.194 13.620 0.549
206 1HB LYS 30 1HB LYS 30 -9.008 11.581 -0.728
207 2HB LYS 30 2HB LYS 30 -8.867 11.823 1.023
208 1HG LYS 30 1HG LYS 30 -9.576 14.072 -0.925
209 2HG LYS 30 2HG LYS 30 -10.760 13.094 -0.085
210 1HD LYS 30 1HD LYS 30 -10.495 14.105 1.894
211 2HD LYS 30 2HD LYS 30 -8.763 14.261 1.800
212 1HE LYS 30 1HE LYS 30 -10.765 16.089 0.383
213 2HE LYS 30 2HE LYS 30 -9.941 16.422 1.909
214 1HZ LYS 30 3HZ LYS 30 -7.787 16.270 0.598
215 2HZ LYS 30 1HZ LYS 30 -8.703 16.320 -0.760
216 3HZ LYS 30 2HZ LYS 30 -8.765 17.542 0.280
217 H ALA 31 H ALA 31 -5.030 12.501 -1.196
218 HA ALA 31 HA ALA 31 -3.913 10.153 -0.144
219 1HB ALA 31 2HB ALA 31 -2.945 11.609 -1.941
220 2HB ALA 31 3HB ALA 31 -2.644 12.852 -0.723
221 3HB ALA 31 1HB ALA 31 -1.768 11.308 -0.650
222 H ARG 32 H ARG 32 -2.021 10.112 1.518
223 HA ARG 32 HA ARG 32 -3.183 11.193 4.032
224 1HB ARG 32 1HB ARG 32 -0.959 9.173 3.541
225 2HB ARG 32 2HB ARG 32 -1.577 9.607 5.136
226 1HG ARG 32 1HG ARG 32 -3.305 8.361 2.966
227 2HG ARG 32 2HG ARG 32 -2.342 7.407 4.072
228 1HD ARG 32 1HD ARG 32 -4.612 7.470 4.932
229 2HD ARG 32 2HD ARG 32 -3.491 8.261 6.026
230 HE ARG 32 HE ARG 32 -4.682 10.180 5.848
231 1HH1 ARG 32 2HH2 ARG 32 -5.518 8.206 3.040
232 2HH1 ARG 32 1HH2 ARG 32 -6.253 9.550 2.171
233 1HH2 ARG 32 1HH1 ARG 32 -5.734 11.928 4.678
234 2HH2 ARG 32 2HH1 ARG 32 -6.296 11.593 3.063
235 H HIS 33 H HIS 33 0.230 10.856 3.052
236 HA HIS 33 HA HIS 33 0.623 13.652 3.979
237 1HB HIS 33 2HB HIS 33 3.014 13.024 4.443
238 2HB HIS 33 1HB HIS 33 1.794 12.491 5.592
239 HD1 HIS 33 HD1 HIS 33 1.163 9.944 5.658
240 HD2 HIS 33 HD2 HIS 33 4.568 10.929 3.427
241 HE1 HIS 33 HE1 HIS 33 2.491 7.814 5.340
242 H GLY 34 H GLY 34 2.505 14.653 2.878
243 1HA GLY 34 1HA GLY 34 3.367 13.588 0.379
244 2HA GLY 34 2HA GLY 34 2.357 15.046 0.170
245 H SER 35 H SER 35 5.081 15.080 -0.551
246 HA SER 35 HA SER 35 6.226 17.137 1.093
247 1HB SER 35 1HB SER 35 7.158 14.260 1.431
248 2HB SER 35 2HB SER 35 8.363 15.534 1.473
249 HG SER 35 HG SER 35 6.046 15.305 3.071
250 H CYS 36 H CYS 36 8.259 17.832 0.292
251 HA CYS 36 HA CYS 36 8.689 17.447 -2.600
252 1HB CYS 36 1HB CYS 36 9.889 19.147 -0.400
253 2HB CYS 36 2HB CYS 36 10.875 18.780 -1.808
254 H ASN 37 H ASN 37 10.184 16.014 -3.379
255 HA ASN 37 HA ASN 37 12.217 14.816 -1.523
256 1HB ASN 37 1HB ASN 37 10.598 13.164 -2.340
257 2HB ASN 37 2HB ASN 37 10.913 13.664 -4.024
258 1HD2 ASN 37 2HD2 ASN 37 13.963 11.834 -4.249
259 2HD2 ASN 37 1HD2 ASN 37 13.142 13.220 -4.944
260 H TYR 38 H TYR 38 14.339 14.749 -2.471
261 HA TYR 38 HA TYR 38 14.743 16.715 -4.626
262 1HB TYR 38 1HB TYR 38 16.255 16.810 -2.710
263 2HB TYR 38 2HB TYR 38 16.843 15.190 -3.071
264 HD1 TYR 38 HD1 TYR 38 16.201 18.425 -4.987
265 HD2 TYR 38 HD2 TYR 38 19.004 15.259 -4.136
266 HE1 TYR 38 HE1 TYR 38 17.475 18.994 -7.021
267 HE2 TYR 38 HE2 TYR 38 20.223 15.795 -6.227
268 HH TYR 38 HH TYR 38 18.961 18.170 -8.590
269 H VAL 39 H VAL 39 17.090 14.404 -5.020
270 HA VAL 39 HA VAL 39 17.659 13.070 -6.714
271 HB VAL 39 HB VAL 39 14.670 12.486 -7.027
272 1HG1 VAL 39 2HG1 VAL 39 17.038 11.182 -8.395
273 2HG1 VAL 39 3HG1 VAL 39 15.383 10.541 -8.342
274 3HG1 VAL 39 1HG1 VAL 39 15.699 12.064 -9.173
275 1HG2 VAL 39 1HG2 VAL 39 15.841 11.738 -4.886
276 2HG2 VAL 39 2HG2 VAL 39 15.206 10.422 -5.891
277 3HG2 VAL 39 3HG2 VAL 39 16.941 10.798 -5.900
278 H PHE 40 H PHE 40 17.959 13.273 -9.061
279 HA PHE 40 HA PHE 40 17.968 15.959 -9.813
280 1HB PHE 40 1HB PHE 40 18.852 15.231 -11.899
281 2HB PHE 40 2HB PHE 40 19.415 14.082 -10.713
282 HD1 PHE 40 HD1 PHE 40 18.435 11.741 -10.677
283 HD2 PHE 40 HD2 PHE 40 17.329 14.641 -13.684
284 HE1 PHE 40 HE1 PHE 40 17.295 9.973 -11.977
285 HE2 PHE 40 HE2 PHE 40 16.206 12.858 -14.979
286 HZ PHE 40 HZ PHE 40 16.171 10.527 -14.123
287 HA PRO 41 HA PRO 41 17.905 17.241 -11.752
288 1HB PRO 41 1HB PRO 41 16.659 19.338 -12.892
289 2HB PRO 41 2HB PRO 41 16.939 17.802 -13.764
290 1HG PRO 41 1HG PRO 41 14.370 18.738 -12.477
291 2HG PRO 41 2HG PRO 41 14.605 17.976 -14.068
292 1HD PRO 41 1HD PRO 41 13.861 16.562 -11.786
293 2HD PRO 41 2HD PRO 41 14.763 15.838 -13.140
294 H ALA 42 H ALA 42 14.716 18.301 -10.491
295 HA ALA 42 HA ALA 42 16.023 19.978 -8.399
296 1HB ALA 42 3HB ALA 42 15.183 21.347 -10.273
297 2HB ALA 42 1HB ALA 42 13.574 20.619 -10.083
298 3HB ALA 42 2HB ALA 42 14.255 21.633 -8.791
299 H HIS 43 H HIS 43 14.176 20.646 -6.794
300 HA HIS 43 HA HIS 43 13.273 18.300 -5.463
301 1HB HIS 43 2HB HIS 43 12.639 21.238 -5.174
302 2HB HIS 43 1HB HIS 43 11.917 20.062 -4.104
303 HD1 HIS 43 HD1 HIS 43 14.918 22.120 -4.352
304 HD2 HIS 43 HD2 HIS 43 13.930 18.404 -2.676
305 HE1 HIS 43 HE1 HIS 43 16.759 21.513 -2.717
306 H LYS 44 H LYS 44 11.491 17.174 -5.724
307 HA LYS 44 HA LYS 44 9.339 18.099 -7.597
308 1HB LYS 44 1HB LYS 44 9.251 15.852 -8.517
309 2HB LYS 44 2HB LYS 44 10.853 16.572 -8.731
310 1HG LYS 44 1HG LYS 44 11.587 15.258 -6.631
311 2HG LYS 44 2HG LYS 44 10.008 14.488 -6.655
312 1HD LYS 44 1HD LYS 44 11.689 13.061 -7.667
313 2HD LYS 44 2HD LYS 44 10.431 13.490 -8.826
314 1HE LYS 44 1HE LYS 44 12.816 13.505 -9.703
315 2HE LYS 44 2HE LYS 44 11.896 14.972 -10.036
316 1HZ LYS 44 1HZ LYS 44 13.694 14.775 -7.703
317 2HZ LYS 44 2HZ LYS 44 14.246 15.199 -9.159
318 3HZ LYS 44 3HZ LYS 44 13.138 16.139 -8.403
319 H CYS 45 H CYS 45 7.226 17.412 -7.058
320 HA CYS 45 HA CYS 45 6.831 16.993 -4.226
321 1HB CYS 45 1HB CYS 45 5.263 18.287 -5.739
322 2HB CYS 45 2HB CYS 45 4.818 16.765 -6.498
323 H ILE 46 H ILE 46 6.131 15.106 -3.163
324 HA ILE 46 HA ILE 46 5.607 12.650 -4.735
325 HB ILE 46 HB ILE 46 7.290 12.854 -2.198
326 1HG1 ILE 46 1HG1 ILE 46 8.660 13.288 -4.216
327 2HG1 ILE 46 2HG1 ILE 46 9.098 11.817 -3.339
328 1HG2 ILE 46 3HG2 ILE 46 6.189 10.406 -3.634
329 2HG2 ILE 46 1HG2 ILE 46 7.418 10.361 -2.350
330 3HG2 ILE 46 2HG2 ILE 46 5.794 10.955 -2.008
331 1HD1 ILE 46 2HD1 ILE 46 7.999 10.419 -5.034
332 2HD1 ILE 46 3HD1 ILE 46 7.532 11.884 -5.929
333 3HD1 ILE 46 1HD1 ILE 46 9.236 11.473 -5.734
334 H CYS 47 H CYS 47 3.601 11.913 -4.096
335 HA CYS 47 HA CYS 47 2.667 12.698 -1.373
336 1HB CYS 47 1HB CYS 47 1.629 14.055 -3.203
337 2HB CYS 47 2HB CYS 47 0.873 12.566 -3.793
338 H TYR 48 H TYR 48 1.439 11.170 -0.233
339 HA TYR 48 HA TYR 48 1.967 8.382 -1.176
340 1HB TYR 48 1HB TYR 48 1.926 9.543 1.628
341 2HB TYR 48 2HB TYR 48 2.190 7.858 1.163
342 HD1 TYR 48 HD1 TYR 48 3.684 11.279 0.746
343 HD2 TYR 48 HD2 TYR 48 4.329 7.020 0.906
344 HE1 TYR 48 HE1 TYR 48 6.130 11.637 0.548
345 HE2 TYR 48 HE2 TYR 48 6.764 7.386 0.719
346 HH TYR 48 HH TYR 48 8.238 8.984 -0.300
347 H PHE 49 H PHE 49 0.248 7.065 -1.410
348 HA PHE 49 HA PHE 49 -2.380 7.968 -0.378
349 1HB PHE 49 1HB PHE 49 -1.757 6.212 -2.749
350 2HB PHE 49 2HB PHE 49 -3.309 6.798 -2.310
351 HD1 PHE 49 HD1 PHE 49 0.077 8.111 -3.354
352 HD2 PHE 49 HD2 PHE 49 -4.196 8.767 -3.270
353 HE1 PHE 49 HE1 PHE 49 0.383 10.312 -4.391
354 HE2 PHE 49 HE2 PHE 49 -3.876 10.839 -4.591
355 HZ PHE 49 HZ PHE 49 -1.567 11.637 -5.104
356 HA PRO 50 HA PRO 50 -2.468 4.240 2.034
357 1HB PRO 50 1HB PRO 50 -5.128 3.921 2.479
358 2HB PRO 50 2HB PRO 50 -4.249 5.363 3.064
359 1HG PRO 50 1HG PRO 50 -5.877 5.114 0.505
360 2HG PRO 50 2HG PRO 50 -6.026 6.373 1.756
361 1HD PRO 50 1HD PRO 50 -4.471 6.700 -0.519
362 2HD PRO 50 2HD PRO 50 -4.009 7.409 1.059
363 H CYS 51 H CYS 51 -1.577 3.143 0.251
364 HA CYS 51 HA CYS 51 -2.961 2.000 -1.897
365 1HB CYS 51 1HB CYS 51 -0.594 2.592 -1.614
366 2HB CYS 51 2HB CYS 51 -0.306 1.124 -0.688
No H/Q in entry = 366
Start of MODEL 11
1 HA PCA 1 HA PYR 1 0.319 1.865 6.773
2 1HB PCA 1 1HB PYR 1 1.547 4.319 6.353
3 2HB PCA 1 2HB PYR 1 0.655 3.882 7.835
4 1HG PCA 1 1HG PYR 1 3.636 3.893 7.419
5 2HG PCA 1 2HG PYR 1 2.694 4.310 8.888
6 HN PCA 1 HN PYR 1 2.046 0.415 7.915
7 H LYS 2 H LYS 2 1.046 0.070 5.330
8 HA LYS 2 HA LYS 2 3.261 0.481 3.507
9 1HB LYS 2 1HB LYS 2 2.412 -1.749 4.301
10 2HB LYS 2 2HB LYS 2 0.956 -1.465 3.352
11 1HG LYS 2 1HG LYS 2 2.813 -1.069 1.379
12 2HG LYS 2 2HG LYS 2 3.823 -1.963 2.493
13 1HD LYS 2 1HD LYS 2 2.847 -3.481 0.860
14 2HD LYS 2 2HD LYS 2 2.252 -3.864 2.474
15 1HE LYS 2 1HE LYS 2 0.498 -3.960 0.680
16 2HE LYS 2 2HE LYS 2 0.075 -2.882 2.007
17 1HZ LYS 2 2HZ LYS 2 1.176 -1.970 -0.575
18 2HZ LYS 2 3HZ LYS 2 -0.402 -1.926 -0.136
19 3HZ LYS 2 1HZ LYS 2 0.674 -1.027 0.681
20 H LEU 3 H LEU 3 2.423 2.671 3.028
21 HA LEU 3 HA LEU 3 0.219 3.137 1.230
22 1HB LEU 3 1HB LEU 3 2.755 4.688 1.733
23 2HB LEU 3 2HB LEU 3 1.359 5.326 0.869
24 HG LEU 3 HG LEU 3 0.870 4.348 3.675
25 1HD1 LEU 3 2HD1 LEU 3 2.349 6.950 3.050
26 2HD1 LEU 3 3HD1 LEU 3 1.692 6.482 4.628
27 3HD1 LEU 3 1HD1 LEU 3 3.017 5.553 3.910
28 1HD2 LEU 3 2HD2 LEU 3 -0.086 6.788 2.132
29 2HD2 LEU 3 3HD2 LEU 3 -0.958 5.259 2.358
30 3HD2 LEU 3 1HD2 LEU 3 -0.601 6.287 3.752
31 H CYS 4 H CYS 4 0.610 4.104 -0.990
32 HA CYS 4 HA CYS 4 3.053 3.190 -2.419
33 1HB CYS 4 1HB CYS 4 0.189 2.939 -3.455
34 2HB CYS 4 2HB CYS 4 1.641 2.864 -4.459
35 H GLU 5 H GLU 5 3.631 4.794 -4.050
36 HA GLU 5 HA GLU 5 2.404 7.399 -3.384
37 1HB GLU 5 1HB GLU 5 4.617 8.384 -3.814
38 2HB GLU 5 2HB GLU 5 4.531 7.315 -2.418
39 1HG GLU 5 1HG GLU 5 5.687 5.532 -3.597
40 2HG GLU 5 2HG GLU 5 5.633 6.446 -5.118
41 HE2 GLU 5 HE2 GLU 5 8.550 8.112 -4.381
42 H ARG 6 H ARG 6 2.247 9.013 -4.818
43 HA ARG 6 HA ARG 6 2.456 8.422 -7.730
44 1HB ARG 6 1HB ARG 6 0.073 8.575 -6.867
45 2HB ARG 6 2HB ARG 6 0.451 10.215 -6.329
46 1HG ARG 6 1HG ARG 6 -0.780 10.245 -8.347
47 2HG ARG 6 2HG ARG 6 0.791 11.016 -8.504
48 1HD ARG 6 1HD ARG 6 0.513 8.111 -9.334
49 2HD ARG 6 2HD ARG 6 -0.292 9.294 -10.351
50 HE ARG 6 HE ARG 6 2.471 8.706 -10.363
51 1HH1 ARG 6 1HH2 ARG 6 0.265 11.456 -10.591
52 2HH1 ARG 6 2HH2 ARG 6 1.512 12.534 -11.202
53 1HH2 ARG 6 1HH1 ARG 6 4.063 10.205 -11.368
54 2HH2 ARG 6 2HH1 ARG 6 3.542 11.862 -11.612
55 HA PRO 7 HA PRO 7 5.220 12.033 -7.009
56 1HB PRO 7 1HB PRO 7 5.673 11.490 -9.937
57 2HB PRO 7 2HB PRO 7 6.869 11.906 -8.678
58 1HG PRO 7 1HG PRO 7 6.628 9.331 -9.502
59 2HG PRO 7 2HG PRO 7 6.761 9.694 -7.756
60 1HD PRO 7 1HD PRO 7 4.244 9.115 -9.334
61 2HD PRO 7 2HD PRO 7 4.755 8.465 -7.753
62 H SER 8 H SER 8 5.492 14.067 -8.772
63 HA SER 8 HA SER 8 3.240 15.508 -8.720
64 1HB SER 8 1HB SER 8 5.282 15.729 -10.957
65 2HB SER 8 2HB SER 8 4.349 17.022 -10.172
66 HG SER 8 HG SER 8 6.392 17.009 -9.300
67 H GLY 9 H GLY 9 1.760 16.371 -10.380
68 1HA GLY 9 1HA GLY 9 0.941 15.424 -12.768
69 2HA GLY 9 2HA GLY 9 0.390 14.122 -11.692
70 H THR 10 H THR 10 -0.454 15.220 -9.435
71 HA THR 10 HA THR 10 -2.699 16.976 -10.145
72 HB THR 10 HB THR 10 -1.820 16.343 -7.311
73 HG1 THR 10 HG1 THR 10 -3.053 14.528 -9.108
74 1HG2 THR 10 2HG2 THR 10 -3.804 17.755 -7.703
75 2HG2 THR 10 3HG2 THR 10 -4.555 16.444 -8.642
76 3HG2 THR 10 1HG2 THR 10 -4.223 16.227 -6.911
77 H TRP 11 H TRP 11 0.321 16.991 -8.213
78 HA TRP 11 HA TRP 11 0.406 19.918 -7.999
79 1HB TRP 11 1HB TRP 11 1.418 18.507 -6.260
80 2HB TRP 11 2HB TRP 11 2.445 17.732 -7.474
81 HD1 TRP 11 HD1 TRP 11 4.387 19.306 -8.588
82 HE1 TRP 11 HE1 TRP 11 5.457 21.551 -7.891
83 HE3 TRP 11 HE3 TRP 11 1.251 20.546 -4.771
84 HZ2 TRP 11 HZ2 TRP 11 5.108 23.511 -5.822
85 HZ3 TRP 11 HZ3 TRP 11 1.633 22.614 -3.447
86 HH2 TRP 11 HH2 TRP 11 3.575 24.062 -3.938
87 H SER 12 H SER 12 1.701 21.220 -9.348
88 HA SER 12 HA SER 12 2.039 20.097 -11.946
89 1HB SER 12 1HB SER 12 2.616 22.960 -11.054
90 2HB SER 12 2HB SER 12 2.101 22.410 -12.658
91 HG SER 12 HG SER 12 0.119 21.701 -11.572
92 H GLY 13 H GLY 13 3.754 18.678 -11.343
93 1HA GLY 13 1HA GLY 13 5.882 18.004 -11.970
94 2HA GLY 13 2HA GLY 13 6.106 19.592 -12.703
95 H VAL 14 H VAL 14 7.273 21.183 -11.557
96 HA VAL 14 HA VAL 14 9.103 20.053 -9.587
97 HB VAL 14 HB VAL 14 8.988 22.885 -10.680
98 1HG1 VAL 14 2HG1 VAL 14 11.216 21.325 -9.300
99 2HG1 VAL 14 3HG1 VAL 14 11.375 22.944 -10.005
100 3HG1 VAL 14 1HG1 VAL 14 10.322 22.699 -8.609
101 1HG2 VAL 14 1HG2 VAL 14 10.569 20.447 -11.630
102 2HG2 VAL 14 2HG2 VAL 14 9.306 21.296 -12.546
103 3HG2 VAL 14 3HG2 VAL 14 10.833 22.111 -12.192
104 H CYS 15 H CYS 15 9.094 20.457 -7.412
105 HA CYS 15 HA CYS 15 6.788 22.024 -6.349
106 1HB CYS 15 1HB CYS 15 6.930 20.547 -4.386
107 2HB CYS 15 2HB CYS 15 6.590 19.741 -5.906
108 H GLY 16 H GLY 16 10.172 21.334 -5.515
109 1HA GLY 16 1HA GLY 16 11.700 22.610 -4.323
110 2HA GLY 16 2HA GLY 16 10.643 24.007 -4.505
111 H ASN 17 H ASN 17 8.423 23.440 -3.234
112 HA ASN 17 HA ASN 17 9.330 23.541 -0.419
113 1HB ASN 17 1HB ASN 17 8.228 25.491 -1.422
114 2HB ASN 17 2HB ASN 17 6.750 24.548 -1.638
115 1HD2 ASN 17 1HD2 ASN 17 7.389 26.325 1.898
116 2HD2 ASN 17 2HD2 ASN 17 8.197 26.766 0.408
117 H ASN 18 H ASN 18 9.105 21.814 0.780
118 HA ASN 18 HA ASN 18 7.569 19.551 0.282
119 1HB ASN 18 1HB ASN 18 9.592 19.843 1.803
120 2HB ASN 18 2HB ASN 18 8.514 20.518 3.015
121 1HD2 ASN 18 2HD2 ASN 18 8.360 16.517 2.215
122 2HD2 ASN 18 1HD2 ASN 18 9.380 17.521 1.180
123 H ASN 19 H ASN 19 6.937 21.849 2.795
124 HA ASN 19 HA ASN 19 4.478 20.964 3.709
125 1HB ASN 19 1HB ASN 19 5.912 22.897 4.576
126 2HB ASN 19 2HB ASN 19 5.070 23.928 3.415
127 1HD2 ASN 19 2HD2 ASN 19 1.893 23.034 5.410
128 2HD2 ASN 19 1HD2 ASN 19 2.349 22.511 3.802
129 H ALA 20 H ALA 20 5.047 23.171 0.921
130 HA ALA 20 HA ALA 20 2.288 23.635 0.375
131 1HB ALA 20 1HB ALA 20 4.149 25.019 -0.536
132 2HB ALA 20 2HB ALA 20 4.573 23.677 -1.629
133 3HB ALA 20 3HB ALA 20 2.989 24.473 -1.757
134 H CYS 21 H CYS 21 4.615 21.349 -1.194
135 HA CYS 21 HA CYS 21 2.781 20.046 -2.879
136 1HB CYS 21 1HB CYS 21 5.052 19.507 -3.204
137 2HB CYS 21 2HB CYS 21 5.290 19.118 -1.495
138 H LYS 22 H LYS 22 3.746 19.139 0.402
139 HA LYS 22 HA LYS 22 2.116 16.920 0.862
140 1HB LYS 22 1HB LYS 22 3.931 17.754 2.294
141 2HB LYS 22 2HB LYS 22 3.024 19.203 2.701
142 1HG LYS 22 1HG LYS 22 1.293 17.845 3.848
143 2HG LYS 22 2HG LYS 22 2.192 16.395 3.498
144 1HD LYS 22 1HD LYS 22 2.710 18.654 5.417
145 2HD LYS 22 2HD LYS 22 2.845 16.928 5.718
146 1HE LYS 22 1HE LYS 22 4.835 18.729 4.231
147 2HE LYS 22 2HE LYS 22 5.027 18.097 5.858
148 1HZ LYS 22 1HZ LYS 22 4.857 16.368 3.480
149 2HZ LYS 22 2HZ LYS 22 6.257 16.923 4.086
150 3HZ LYS 22 3HZ LYS 22 5.299 15.923 4.986
151 H ASN 23 H ASN 23 1.390 20.297 1.864
152 HA ASN 23 HA ASN 23 -1.193 19.728 2.796
153 1HB ASN 23 1HB ASN 23 -0.291 21.839 3.443
154 2HB ASN 23 2HB ASN 23 0.125 22.266 1.777
155 1HD2 ASN 23 2HD2 ASN 23 -2.811 24.124 1.356
156 2HD2 ASN 23 1HD2 ASN 23 -1.100 23.935 1.040
157 H GLN 24 H GLN 24 -0.221 21.232 -0.356
158 HA GLN 24 HA GLN 24 -2.835 21.412 -1.373
159 1HB GLN 24 1HB GLN 24 -0.777 22.553 -2.238
160 2HB GLN 24 2HB GLN 24 -0.280 21.026 -2.993
161 1HG GLN 24 1HG GLN 24 -2.214 21.061 -4.455
162 2HG GLN 24 2HG GLN 24 -2.985 22.339 -3.498
163 1HE2 GLN 24 2HE2 GLN 24 -0.151 23.404 -6.250
164 2HE2 GLN 24 1HE2 GLN 24 -0.263 21.729 -5.739
165 H CYS 25 H CYS 25 -0.527 18.626 -1.647
166 HA CYS 25 HA CYS 25 -2.257 17.064 -3.250
167 1HB CYS 25 1HB CYS 25 0.065 16.318 -2.660
168 2HB CYS 25 2HB CYS 25 -0.483 15.999 -1.022
169 H ILE 26 H ILE 26 -1.962 16.886 0.374
170 HA ILE 26 HA ILE 26 -4.192 15.037 0.432
171 HB ILE 26 HB ILE 26 -3.876 14.897 2.759
172 1HG1 ILE 26 1HG1 ILE 26 -2.287 17.481 2.603
173 2HG1 ILE 26 2HG1 ILE 26 -3.828 17.202 3.436
174 1HG2 ILE 26 3HG2 ILE 26 -2.110 13.959 1.215
175 2HG2 ILE 26 1HG2 ILE 26 -1.099 15.365 1.590
176 3HG2 ILE 26 2HG2 ILE 26 -1.571 14.242 2.869
177 1HD1 ILE 26 3HD1 ILE 26 -2.669 15.556 4.935
178 2HD1 ILE 26 1HD1 ILE 26 -1.122 16.052 4.203
179 3HD1 ILE 26 2HD1 ILE 26 -2.100 17.232 5.087
180 H ASN 27 H ASN 27 -4.032 18.436 0.380
181 HA ASN 27 HA ASN 27 -6.587 18.972 1.666
182 1HB ASN 27 1HB ASN 27 -4.607 20.417 1.710
183 2HB ASN 27 2HB ASN 27 -4.777 20.742 -0.031
184 1HD2 ASN 27 2HD2 ASN 27 -6.351 23.358 2.290
185 2HD2 ASN 27 1HD2 ASN 27 -4.813 22.492 2.389
186 H LEU 28 H LEU 28 -5.301 19.168 -1.743
187 HA LEU 28 HA LEU 28 -7.956 19.514 -2.861
188 1HB LEU 28 1HB LEU 28 -5.188 19.075 -4.002
189 2HB LEU 28 2HB LEU 28 -6.607 18.883 -5.009
190 HG LEU 28 HG LEU 28 -7.348 21.136 -4.645
191 1HD1 LEU 28 3HD1 LEU 28 -4.967 21.416 -2.768
192 2HD1 LEU 28 1HD1 LEU 28 -5.887 22.782 -3.430
193 3HD1 LEU 28 2HD1 LEU 28 -6.683 21.620 -2.366
194 1HD2 LEU 28 1HD2 LEU 28 -5.738 20.674 -6.444
195 2HD2 LEU 28 2HD2 LEU 28 -5.468 22.295 -5.780
196 3HD2 LEU 28 3HD2 LEU 28 -4.385 20.959 -5.337
197 H GLU 29 H GLU 29 -5.622 16.733 -3.009
198 HA GLU 29 HA GLU 29 -7.967 14.961 -3.605
199 1HB GLU 29 1HB GLU 29 -6.362 13.240 -4.231
200 2HB GLU 29 2HB GLU 29 -6.328 14.666 -5.261
201 1HG GLU 29 1HG GLU 29 -4.276 15.460 -4.111
202 2HG GLU 29 2HG GLU 29 -4.254 13.960 -3.153
203 HE2 GLU 29 HE2 GLU 29 -2.499 14.124 -6.582
204 H LYS 30 H LYS 30 -7.242 12.657 -2.333
205 HA LYS 30 HA LYS 30 -7.274 13.593 0.508
206 1HB LYS 30 1HB LYS 30 -9.005 11.587 -0.935
207 2HB LYS 30 2HB LYS 30 -8.934 11.677 0.829
208 1HG LYS 30 1HG LYS 30 -9.570 14.099 -0.908
209 2HG LYS 30 2HG LYS 30 -10.796 13.016 -0.274
210 1HD LYS 30 1HD LYS 30 -10.698 13.802 1.817
211 2HD LYS 30 2HD LYS 30 -8.954 13.929 1.877
212 1HE LYS 30 1HE LYS 30 -10.751 15.925 0.418
213 2HE LYS 30 2HE LYS 30 -10.221 16.112 2.095
214 1HZ LYS 30 3HZ LYS 30 -8.363 15.962 -0.199
215 2HZ LYS 30 1HZ LYS 30 -8.826 17.333 0.525
216 3HZ LYS 30 2HZ LYS 30 -7.923 16.228 1.329
217 H ALA 31 H ALA 31 -5.057 12.362 -1.188
218 HA ALA 31 HA ALA 31 -4.004 10.017 -0.147
219 1HB ALA 31 3HB ALA 31 -2.741 12.738 -0.618
220 2HB ALA 31 1HB ALA 31 -1.825 11.225 -0.476
221 3HB ALA 31 2HB ALA 31 -2.931 11.475 -1.840
222 H ARG 32 H ARG 32 -2.309 9.746 1.568
223 HA ARG 32 HA ARG 32 -3.241 11.014 4.113
224 1HB ARG 32 1HB ARG 32 -1.379 8.653 3.610
225 2HB ARG 32 2HB ARG 32 -1.862 9.230 5.207
226 1HG ARG 32 1HG ARG 32 -3.820 8.152 3.160
227 2HG ARG 32 2HG ARG 32 -2.957 7.138 4.309
228 1HD ARG 32 1HD ARG 32 -5.169 7.559 5.219
229 2HD ARG 32 2HD ARG 32 -3.923 8.279 6.226
230 HE ARG 32 HE ARG 32 -4.874 10.314 5.926
231 1HH1 ARG 32 2HH1 ARG 32 -6.022 8.258 3.284
232 2HH1 ARG 32 1HH1 ARG 32 -6.589 9.618 2.325
233 1HH2 ARG 32 2HH2 ARG 32 -5.733 12.085 4.646
234 2HH2 ARG 32 1HH2 ARG 32 -6.344 11.708 3.059
235 H HIS 33 H HIS 33 -0.100 10.259 2.554
236 HA HIS 33 HA HIS 33 1.069 12.566 4.083
237 1HB HIS 33 2HB HIS 33 2.504 10.112 2.970
238 2HB HIS 33 1HB HIS 33 3.261 11.527 3.675
239 HD1 HIS 33 HD1 HIS 33 0.374 9.379 5.026
240 HD2 HIS 33 HD2 HIS 33 4.271 10.581 5.962
241 HE1 HIS 33 HE1 HIS 33 0.894 8.435 7.315
242 H GLY 34 H GLY 34 2.640 13.792 2.862
243 1HA GLY 34 1HA GLY 34 3.150 13.259 0.167
244 2HA GLY 34 2HA GLY 34 2.050 14.659 0.269
245 H SER 35 H SER 35 4.789 14.728 -0.653
246 HA SER 35 HA SER 35 6.073 16.626 1.105
247 1HB SER 35 1HB SER 35 6.587 13.722 1.484
248 2HB SER 35 2HB SER 35 8.051 14.589 1.043
249 HG SER 35 HG SER 35 7.610 14.539 3.316
250 H CYS 36 H CYS 36 7.486 17.733 -0.029
251 HA CYS 36 HA CYS 36 7.958 17.192 -2.876
252 1HB CYS 36 1HB CYS 36 7.653 19.532 -2.055
253 2HB CYS 36 2HB CYS 36 9.140 19.333 -1.075
254 H ASN 37 H ASN 37 9.599 15.935 -3.492
255 HA ASN 37 HA ASN 37 11.842 15.232 -1.646
256 1HB ASN 37 1HB ASN 37 10.575 13.283 -2.354
257 2HB ASN 37 2HB ASN 37 10.516 13.885 -4.027
258 1HD2 ASN 37 2HD2 ASN 37 14.098 12.325 -2.717
259 2HD2 ASN 37 1HD2 ASN 37 12.966 12.953 -1.536
260 H TYR 38 H TYR 38 13.996 15.204 -2.596
261 HA TYR 38 HA TYR 38 14.254 16.656 -5.154
262 1HB TYR 38 1HB TYR 38 14.780 18.064 -3.149
263 2HB TYR 38 2HB TYR 38 16.086 16.954 -2.756
264 HD1 TYR 38 HD2 TYR 38 14.873 18.658 -5.911
265 HD2 TYR 38 HD1 TYR 38 18.235 17.776 -3.364
266 HE1 TYR 38 HE2 TYR 38 16.394 19.490 -7.644
267 HE2 TYR 38 HE1 TYR 38 19.769 18.528 -5.162
268 HH TYR 38 HH TYR 38 18.547 19.240 -8.437
269 H VAL 39 H VAL 39 14.130 13.902 -5.319
270 HA VAL 39 HA VAL 39 16.890 12.951 -5.664
271 HB VAL 39 HB VAL 39 14.192 12.084 -6.786
272 1HG1 VAL 39 3HG1 VAL 39 16.936 10.924 -7.442
273 2HG1 VAL 39 1HG1 VAL 39 15.389 10.123 -7.771
274 3HG1 VAL 39 2HG1 VAL 39 15.781 11.633 -8.592
275 1HG2 VAL 39 2HG2 VAL 39 14.829 11.484 -4.406
276 2HG2 VAL 39 3HG2 VAL 39 14.610 10.075 -5.455
277 3HG2 VAL 39 1HG2 VAL 39 16.243 10.636 -5.041
278 H PHE 40 H PHE 40 18.114 13.219 -7.611
279 HA PHE 40 HA PHE 40 17.949 15.714 -8.802
280 1HB PHE 40 1HB PHE 40 19.780 14.964 -10.202
281 2HB PHE 40 2HB PHE 40 19.953 14.211 -8.641
282 HD1 PHE 40 HD1 PHE 40 19.595 11.736 -8.395
283 HD2 PHE 40 HD2 PHE 40 19.259 13.709 -12.226
284 HE1 PHE 40 HE1 PHE 40 19.525 9.541 -9.531
285 HE2 PHE 40 HE2 PHE 40 19.204 11.506 -13.347
286 HZ PHE 40 HZ PHE 40 19.321 9.419 -12.005
287 HA PRO 41 HA PRO 41 18.663 16.703 -10.843
288 1HB PRO 41 1HB PRO 41 17.926 18.229 -12.919
289 2HB PRO 41 2HB PRO 41 18.716 16.641 -13.155
290 1HG PRO 41 1HG PRO 41 15.762 17.270 -13.356
291 2HG PRO 41 2HG PRO 41 16.769 16.320 -14.476
292 1HD PRO 41 1HD PRO 41 15.226 15.166 -12.480
293 2HD PRO 41 2HD PRO 41 16.738 14.442 -13.080
294 H ALA 42 H ALA 42 15.147 17.165 -11.308
295 HA ALA 42 HA ALA 42 15.194 19.646 -9.659
296 1HB ALA 42 2HB ALA 42 14.466 19.923 -11.997
297 2HB ALA 42 3HB ALA 42 13.199 18.698 -11.749
298 3HB ALA 42 1HB ALA 42 13.143 20.233 -10.857
299 H HIS 43 H HIS 43 13.300 20.021 -8.354
300 HA HIS 43 HA HIS 43 12.786 17.934 -6.504
301 1HB HIS 43 2HB HIS 43 11.400 20.625 -6.956
302 2HB HIS 43 1HB HIS 43 11.206 19.619 -5.529
303 HD1 HIS 43 HD1 HIS 43 12.858 19.721 -3.660
304 HD2 HIS 43 HD2 HIS 43 14.018 21.906 -7.050
305 HE1 HIS 43 HE1 HIS 43 14.847 21.152 -2.996
306 H LYS 44 H LYS 44 10.776 16.875 -5.954
307 HA LYS 44 HA LYS 44 8.707 16.780 -8.100
308 1HB LYS 44 1HB LYS 44 10.021 14.338 -6.802
309 2HB LYS 44 2HB LYS 44 8.827 14.321 -8.112
310 1HG LYS 44 1HG LYS 44 10.486 15.329 -9.640
311 2HG LYS 44 2HG LYS 44 11.651 15.450 -8.300
312 1HD LYS 44 1HD LYS 44 11.684 13.026 -7.996
313 2HD LYS 44 2HD LYS 44 10.487 12.820 -9.275
314 1HE LYS 44 1HE LYS 44 12.814 12.368 -10.060
315 2HE LYS 44 2HE LYS 44 12.028 13.662 -10.974
316 1HZ LYS 44 2HZ LYS 44 13.932 14.152 -8.753
317 2HZ LYS 44 3HZ LYS 44 14.357 14.109 -10.302
318 3HZ LYS 44 1HZ LYS 44 13.326 15.277 -9.739
319 H CYS 45 H CYS 45 6.633 16.518 -7.357
320 HA CYS 45 HA CYS 45 6.335 16.707 -4.436
321 1HB CYS 45 1HB CYS 45 5.025 18.252 -5.842
322 2HB CYS 45 2HB CYS 45 4.311 16.900 -6.698
323 H ILE 46 H ILE 46 6.483 14.688 -3.436
324 HA ILE 46 HA ILE 46 5.301 12.333 -4.824
325 HB ILE 46 HB ILE 46 6.845 12.413 -2.221
326 1HG1 ILE 46 1HG1 ILE 46 8.344 13.343 -3.838
327 2HG1 ILE 46 2HG1 ILE 46 8.830 11.690 -3.472
328 1HG2 ILE 46 3HG2 ILE 46 6.173 10.190 -4.194
329 2HG2 ILE 46 1HG2 ILE 46 7.242 10.026 -2.785
330 3HG2 ILE 46 2HG2 ILE 46 5.524 10.398 -2.561
331 1HD1 ILE 46 3HD1 ILE 46 7.794 10.927 -5.625
332 2HD1 ILE 46 1HD1 ILE 46 7.379 12.619 -5.993
333 3HD1 ILE 46 2HD1 ILE 46 9.072 12.129 -5.852
334 H CYS 47 H CYS 47 3.304 11.560 -4.194
335 HA CYS 47 HA CYS 47 2.357 12.323 -1.481
336 1HB CYS 47 1HB CYS 47 1.382 13.744 -3.367
337 2HB CYS 47 2HB CYS 47 0.504 12.275 -3.851
338 H TYR 48 H TYR 48 0.967 10.811 -0.438
339 HA TYR 48 HA TYR 48 1.436 8.032 -1.448
340 1HB TYR 48 1HB TYR 48 1.516 9.190 1.333
341 2HB TYR 48 2HB TYR 48 1.692 7.495 0.934
342 HD1 TYR 48 HD1 TYR 48 3.377 10.812 0.564
343 HD2 TYR 48 HD2 TYR 48 3.735 6.521 0.287
344 HE1 TYR 48 HE1 TYR 48 5.815 11.034 0.165
345 HE2 TYR 48 HE2 TYR 48 6.164 6.752 -0.082
346 HH TYR 48 HH TYR 48 7.703 8.285 -0.962
347 H PHE 49 H PHE 49 -0.216 6.595 -1.440
348 HA PHE 49 HA PHE 49 -2.732 7.294 -0.061
349 1HB PHE 49 1HB PHE 49 -2.529 5.694 -2.601
350 2HB PHE 49 2HB PHE 49 -3.917 6.443 -1.904
351 HD1 PHE 49 HD1 PHE 49 -0.616 7.320 -3.478
352 HD2 PHE 49 HD2 PHE 49 -4.697 8.537 -2.761
353 HE1 PHE 49 HE1 PHE 49 -0.140 9.524 -4.427
354 HE2 PHE 49 HE2 PHE 49 -4.314 10.546 -4.166
355 HZ PHE 49 HZ PHE 49 -2.015 11.067 -4.991
356 HA PRO 50 HA PRO 50 -2.178 3.286 1.836
357 1HB PRO 50 1HB PRO 50 -4.639 2.790 2.794
358 2HB PRO 50 2HB PRO 50 -3.669 4.192 3.338
359 1HG PRO 50 1HG PRO 50 -5.835 4.185 1.195
360 2HG PRO 50 2HG PRO 50 -5.722 5.268 2.613
361 1HD PRO 50 1HD PRO 50 -4.713 5.998 0.144
362 2HD PRO 50 2HD PRO 50 -3.869 6.426 1.683
363 H CYS 51 H CYS 51 -1.699 2.481 -0.338
364 HA CYS 51 HA CYS 51 -3.637 1.050 -1.914
365 1HB CYS 51 1HB CYS 51 -1.688 0.147 -3.097
366 2HB CYS 51 2HB CYS 51 -1.567 1.859 -2.790
No H/Q in entry = 366
Start of MODEL 12
1 HA PCA 1 HA PYR 1 -3.389 2.102 6.538
2 1HB PCA 1 1HB PYR 1 -4.357 1.799 3.692
3 2HB PCA 1 2HB PYR 1 -4.808 0.831 5.126
4 1HG PCA 1 1HG PYR 1 -6.400 2.878 4.105
5 2HG PCA 1 2HG PYR 1 -6.345 2.495 5.853
6 HN PCA 1 HN PYR 1 -3.111 4.623 5.736
7 H LYS 2 H LYS 2 -2.300 0.321 4.784
8 HA LYS 2 HA LYS 2 0.402 0.956 4.614
9 1HB LYS 2 1HB LYS 2 -0.478 -1.337 4.467
10 2HB LYS 2 2HB LYS 2 -1.253 -0.946 2.932
11 1HG LYS 2 1HG LYS 2 1.456 -0.280 2.474
12 2HG LYS 2 2HG LYS 2 1.570 -1.672 3.530
13 1HD LYS 2 1HD LYS 2 0.509 -3.101 2.008
14 2HD LYS 2 2HD LYS 2 -0.326 -1.805 1.155
15 1HE LYS 2 1HE LYS 2 2.699 -2.196 1.031
16 2HE LYS 2 2HE LYS 2 1.542 -2.860 -0.133
17 1HZ LYS 2 2HZ LYS 2 0.784 -0.572 -0.545
18 2HZ LYS 2 3HZ LYS 2 2.002 0.024 0.353
19 3HZ LYS 2 1HZ LYS 2 2.344 -0.830 -0.993
20 H LEU 3 H LEU 3 1.469 2.417 3.386
21 HA LEU 3 HA LEU 3 0.046 3.797 1.304
22 1HB LEU 3 1HB LEU 3 2.807 4.143 2.451
23 2HB LEU 3 2HB LEU 3 2.063 5.275 1.326
24 HG LEU 3 HG LEU 3 0.830 4.603 4.035
25 1HD1 LEU 3 2HD1 LEU 3 3.071 5.611 4.348
26 2HD1 LEU 3 3HD1 LEU 3 2.634 6.945 3.268
27 3HD1 LEU 3 1HD1 LEU 3 1.789 6.741 4.812
28 1HD2 LEU 3 2HD2 LEU 3 0.336 6.885 2.089
29 2HD2 LEU 3 3HD2 LEU 3 -0.767 5.528 2.419
30 3HD2 LEU 3 1HD2 LEU 3 -0.385 6.674 3.698
31 H CYS 4 H CYS 4 0.903 4.420 -0.711
32 HA CYS 4 HA CYS 4 3.191 2.994 -1.927
33 1HB CYS 4 1HB CYS 4 0.501 3.502 -3.275
34 2HB CYS 4 2HB CYS 4 1.966 3.000 -4.100
35 H GLU 5 H GLU 5 4.380 4.525 -3.167
36 HA GLU 5 HA GLU 5 3.688 7.331 -2.647
37 1HB GLU 5 1HB GLU 5 5.898 7.848 -3.422
38 2HB GLU 5 2HB GLU 5 5.948 6.581 -2.193
39 1HG GLU 5 1HG GLU 5 6.249 4.861 -3.983
40 2HG GLU 5 2HG GLU 5 6.243 6.148 -5.201
41 HE1 GLU 5 HE2 GLU 5 9.398 7.387 -4.120
42 H ARG 6 H ARG 6 3.409 8.891 -4.221
43 HA ARG 6 HA ARG 6 3.234 8.113 -7.061
44 1HB ARG 6 1HB ARG 6 0.900 8.189 -6.117
45 2HB ARG 6 2HB ARG 6 1.240 9.803 -5.493
46 1HG ARG 6 1HG ARG 6 0.010 10.150 -7.459
47 2HG ARG 6 2HG ARG 6 1.663 10.562 -7.882
48 1HD ARG 6 1HD ARG 6 1.841 8.195 -8.893
49 2HD ARG 6 2HD ARG 6 0.102 8.038 -8.567
50 HE ARG 6 HE ARG 6 0.723 10.489 -9.981
51 1HH1 ARG 6 1HH1 ARG 6 0.343 7.041 -10.598
52 2HH1 ARG 6 2HH1 ARG 6 -0.093 7.249 -12.268
53 1HH2 ARG 6 2HH2 ARG 6 0.211 10.816 -12.055
54 2HH2 ARG 6 1HH2 ARG 6 -0.193 9.512 -13.153
55 HA PRO 7 HA PRO 7 5.498 12.106 -6.836
56 1HB PRO 7 1HB PRO 7 6.488 12.207 -9.374
57 2HB PRO 7 2HB PRO 7 7.152 11.147 -8.111
58 1HG PRO 7 1HG PRO 7 5.308 10.342 -10.364
59 2HG PRO 7 2HG PRO 7 6.718 9.487 -9.703
60 1HD PRO 7 1HD PRO 7 4.060 8.980 -9.019
61 2HD PRO 7 2HD PRO 7 5.460 8.562 -7.986
62 H SER 8 H SER 8 4.450 12.081 -10.250
63 HA SER 8 HA SER 8 2.864 14.445 -9.888
64 1HB SER 8 1HB SER 8 2.397 13.883 -12.360
65 2HB SER 8 2HB SER 8 4.102 14.115 -11.913
66 HG SER 8 HG SER 8 2.741 11.642 -12.135
67 H GLY 9 H GLY 9 1.411 13.600 -8.239
68 1HA GLY 9 1HA GLY 9 -0.896 11.958 -9.216
69 2HA GLY 9 2HA GLY 9 -0.658 12.619 -7.584
70 H THR 10 H THR 10 -1.088 14.829 -7.178
71 HA THR 10 HA THR 10 -2.721 16.339 -9.129
72 HB THR 10 HB THR 10 -2.384 18.050 -7.131
73 HG1 THR 10 HG1 THR 10 -1.927 15.658 -5.692
74 1HG2 THR 10 3HG2 THR 10 -4.039 15.519 -6.843
75 2HG2 THR 10 1HG2 THR 10 -4.180 16.955 -5.798
76 3HG2 THR 10 2HG2 THR 10 -4.535 17.074 -7.531
77 H TRP 11 H TRP 11 0.019 17.096 -7.054
78 HA TRP 11 HA TRP 11 0.990 19.229 -8.615
79 1HB TRP 11 1HB TRP 11 1.232 18.762 -6.134
80 2HB TRP 11 2HB TRP 11 2.584 17.715 -6.538
81 HD1 TRP 11 HD1 TRP 11 4.327 19.377 -8.435
82 HE1 TRP 11 HE1 TRP 11 5.286 21.682 -7.864
83 HE3 TRP 11 HE3 TRP 11 1.164 20.710 -4.612
84 HZ2 TRP 11 HZ2 TRP 11 4.844 23.759 -5.988
85 HZ3 TRP 11 HZ3 TRP 11 1.666 22.728 -3.290
86 HH2 TRP 11 HH2 TRP 11 3.478 24.265 -3.974
87 H SER 12 H SER 12 1.030 18.115 -10.686
88 HA SER 12 HA SER 12 3.265 16.318 -11.278
89 1HB SER 12 1HB SER 12 1.194 17.621 -13.093
90 2HB SER 12 2HB SER 12 2.233 16.241 -13.482
91 HG SER 12 HG SER 12 0.200 16.380 -11.462
92 H GLY 13 H GLY 13 4.755 18.166 -10.364
93 1HA GLY 13 1HA GLY 13 6.184 19.306 -12.562
94 2HA GLY 13 2HA GLY 13 5.177 20.552 -11.790
95 H VAL 14 H VAL 14 7.501 21.364 -11.499
96 HA VAL 14 HA VAL 14 9.294 20.213 -9.658
97 HB VAL 14 HB VAL 14 8.818 23.141 -10.361
98 1HG1 VAL 14 3HG1 VAL 14 11.274 21.841 -9.107
99 2HG1 VAL 14 1HG1 VAL 14 11.155 23.517 -9.664
100 3HG1 VAL 14 2HG1 VAL 14 10.172 22.980 -8.302
101 1HG2 VAL 14 2HG2 VAL 14 10.763 21.082 -11.509
102 2HG2 VAL 14 3HG2 VAL 14 9.372 21.784 -12.359
103 3HG2 VAL 14 1HG2 VAL 14 10.740 22.809 -11.920
104 H CYS 15 H CYS 15 9.454 20.414 -7.386
105 HA CYS 15 HA CYS 15 6.901 20.530 -6.121
106 1HB CYS 15 1HB CYS 15 7.865 19.510 -4.370
107 2HB CYS 15 2HB CYS 15 9.232 19.306 -5.462
108 H GLY 16 H GLY 16 9.563 22.907 -6.129
109 1HA GLY 16 1HA GLY 16 9.606 25.091 -5.402
110 2HA GLY 16 2HA GLY 16 7.869 25.017 -5.101
111 H ASN 17 H ASN 17 7.815 22.907 -3.147
112 HA ASN 17 HA ASN 17 9.404 23.571 -0.851
113 1HB ASN 17 1HB ASN 17 8.311 25.760 -0.970
114 2HB ASN 17 2HB ASN 17 6.730 24.991 -1.175
115 1HD2 ASN 17 2HD2 ASN 17 8.458 25.158 2.566
116 2HD2 ASN 17 1HD2 ASN 17 9.440 25.426 1.140
117 H ASN 18 H ASN 18 9.107 22.034 0.701
118 HA ASN 18 HA ASN 18 7.616 19.748 0.446
119 1HB ASN 18 1HB ASN 18 9.527 20.222 2.024
120 2HB ASN 18 2HB ASN 18 8.435 21.103 3.070
121 1HD2 ASN 18 2HD2 ASN 18 8.375 17.052 3.116
122 2HD2 ASN 18 1HD2 ASN 18 9.626 17.947 2.250
123 H ASN 19 H ASN 19 6.860 22.362 2.683
124 HA ASN 19 HA ASN 19 4.448 21.327 3.649
125 1HB ASN 19 1HB ASN 19 5.598 23.147 4.771
126 2HB ASN 19 2HB ASN 19 5.204 24.263 3.453
127 1HD2 ASN 19 2HD2 ASN 19 1.931 24.887 4.649
128 2HD2 ASN 19 1HD2 ASN 19 3.184 25.302 3.494
129 H ALA 20 H ALA 20 4.863 23.631 0.922
130 HA ALA 20 HA ALA 20 2.084 23.854 0.327
131 1HB ALA 20 2HB ALA 20 3.827 25.354 -0.606
132 2HB ALA 20 3HB ALA 20 4.399 24.023 -1.642
133 3HB ALA 20 1HB ALA 20 2.752 24.669 -1.835
134 H CYS 21 H CYS 21 4.588 21.703 -1.135
135 HA CYS 21 HA CYS 21 2.992 20.213 -2.847
136 1HB CYS 21 1HB CYS 21 5.285 19.820 -3.002
137 2HB CYS 21 2HB CYS 21 5.477 19.623 -1.264
138 H LYS 22 H LYS 22 3.791 19.413 0.507
139 HA LYS 22 HA LYS 22 2.224 17.153 0.971
140 1HB LYS 22 1HB LYS 22 3.914 18.099 2.494
141 2HB LYS 22 2HB LYS 22 2.919 19.514 2.793
142 1HG LYS 22 1HG LYS 22 1.127 18.042 3.778
143 2HG LYS 22 2HG LYS 22 2.206 16.684 3.623
144 1HD LYS 22 1HD LYS 22 2.244 19.090 5.441
145 2HD LYS 22 2HD LYS 22 2.479 17.403 5.876
146 1HE LYS 22 1HE LYS 22 4.475 19.306 4.551
147 2HE LYS 22 2HE LYS 22 4.536 18.734 6.211
148 1HZ LYS 22 2HZ LYS 22 4.714 16.914 3.907
149 2HZ LYS 22 3HZ LYS 22 6.020 17.669 4.538
150 3HZ LYS 22 1HZ LYS 22 5.144 16.609 5.465
151 H ASN 23 H ASN 23 1.352 20.539 1.784
152 HA ASN 23 HA ASN 23 -1.204 19.946 2.708
153 1HB ASN 23 1HB ASN 23 -0.366 22.137 3.189
154 2HB ASN 23 2HB ASN 23 0.027 22.444 1.493
155 1HD2 ASN 23 2HD2 ASN 23 -2.898 24.356 1.181
156 2HD2 ASN 23 1HD2 ASN 23 -1.155 24.270 1.020
157 H GLN 24 H GLN 24 -0.307 21.268 -0.550
158 HA GLN 24 HA GLN 24 -2.943 21.175 -1.557
159 1HB GLN 24 1HB GLN 24 -0.274 20.976 -2.988
160 2HB GLN 24 2HB GLN 24 -1.850 21.082 -3.813
161 1HG GLN 24 1HG GLN 24 -2.313 23.212 -2.574
162 2HG GLN 24 2HG GLN 24 -0.687 23.129 -1.870
163 1HE2 GLN 24 2HE2 GLN 24 -0.381 23.619 -5.908
164 2HE2 GLN 24 1HE2 GLN 24 -1.082 22.151 -5.257
165 H CYS 25 H CYS 25 -0.416 18.558 -1.646
166 HA CYS 25 HA CYS 25 -2.022 16.801 -3.166
167 1HB CYS 25 1HB CYS 25 0.330 16.266 -2.565
168 2HB CYS 25 2HB CYS 25 -0.171 15.978 -0.901
169 H ILE 26 H ILE 26 -1.759 16.865 0.456
170 HA ILE 26 HA ILE 26 -3.821 14.823 0.620
171 HB ILE 26 HB ILE 26 -3.474 14.840 2.951
172 1HG1 ILE 26 1HG1 ILE 26 -2.162 17.567 2.630
173 2HG1 ILE 26 2HG1 ILE 26 -3.637 17.163 3.524
174 1HG2 ILE 26 3HG2 ILE 26 -1.619 13.959 1.506
175 2HG2 ILE 26 1HG2 ILE 26 -0.762 15.495 1.709
176 3HG2 ILE 26 2HG2 ILE 26 -1.091 14.465 3.100
177 1HD1 ILE 26 2HD1 ILE 26 -2.238 15.708 5.047
178 2HD1 ILE 26 3HD1 ILE 26 -0.790 16.371 4.250
179 3HD1 ILE 26 1HD1 ILE 26 -1.883 17.446 5.127
180 H ASN 27 H ASN 27 -3.905 18.234 0.397
181 HA ASN 27 HA ASN 27 -6.512 18.625 1.629
182 1HB ASN 27 1HB ASN 27 -4.671 20.233 1.621
183 2HB ASN 27 2HB ASN 27 -4.816 20.434 -0.144
184 1HD2 ASN 27 2HD2 ASN 27 -6.587 23.127 1.849
185 2HD2 ASN 27 1HD2 ASN 27 -4.975 22.410 1.967
186 H LEU 28 H LEU 28 -5.226 18.803 -1.786
187 HA LEU 28 HA LEU 28 -7.893 18.882 -2.905
188 1HB LEU 28 1HB LEU 28 -5.110 18.596 -4.075
189 2HB LEU 28 2HB LEU 28 -6.551 18.341 -5.040
190 HG LEU 28 HG LEU 28 -7.378 20.566 -4.641
191 1HD1 LEU 28 3HD1 LEU 28 -4.878 21.031 -2.964
192 2HD1 LEU 28 1HD1 LEU 28 -5.978 22.297 -3.531
193 3HD1 LEU 28 2HD1 LEU 28 -6.562 21.086 -2.390
194 1HD2 LEU 28 1HD2 LEU 28 -5.816 20.149 -6.514
195 2HD2 LEU 28 2HD2 LEU 28 -5.648 21.799 -5.890
196 3HD2 LEU 28 3HD2 LEU 28 -4.442 20.566 -5.466
197 H GLU 29 H GLU 29 -5.330 16.279 -2.917
198 HA GLU 29 HA GLU 29 -7.537 14.359 -3.554
199 1HB GLU 29 1HB GLU 29 -5.901 12.729 -4.163
200 2HB GLU 29 2HB GLU 29 -5.865 14.176 -5.160
201 1HG GLU 29 1HG GLU 29 -3.807 14.926 -3.894
202 2HG GLU 29 2HG GLU 29 -3.763 13.304 -3.147
203 HE1 GLU 29 HE2 GLU 29 -3.459 11.989 -6.616
204 H LYS 30 H LYS 30 -6.992 12.167 -2.299
205 HA LYS 30 HA LYS 30 -7.163 13.028 0.527
206 1HB LYS 30 1HB LYS 30 -8.729 10.990 -1.031
207 2HB LYS 30 2HB LYS 30 -8.746 11.034 0.740
208 1HG LYS 30 1HG LYS 30 -9.355 13.479 -0.981
209 2HG LYS 30 2HG LYS 30 -10.579 12.376 -0.379
210 1HD LYS 30 1HD LYS 30 -10.593 13.226 1.671
211 2HD LYS 30 2HD LYS 30 -8.858 13.242 1.861
212 1HE LYS 30 1HE LYS 30 -10.437 15.352 0.305
213 2HE LYS 30 2HE LYS 30 -10.022 15.495 2.016
214 1HZ LYS 30 2HZ LYS 30 -7.996 15.294 -0.127
215 2HZ LYS 30 3HZ LYS 30 -8.511 16.677 0.529
216 3HZ LYS 30 1HZ LYS 30 -7.674 15.600 1.426
217 H ALA 31 H ALA 31 -4.766 12.133 -0.875
218 HA ALA 31 HA ALA 31 -3.494 9.872 0.055
219 1HB ALA 31 2HB ALA 31 -2.609 11.696 -1.401
220 2HB ALA 31 3HB ALA 31 -2.581 12.782 -0.029
221 3HB ALA 31 1HB ALA 31 -1.495 11.379 -0.048
222 H ARG 32 H ARG 32 -1.560 10.112 1.777
223 HA ARG 32 HA ARG 32 -2.718 11.100 4.390
224 1HB ARG 32 1HB ARG 32 -0.746 8.850 3.870
225 2HB ARG 32 2HB ARG 32 -1.224 9.429 5.475
226 1HG ARG 32 1HG ARG 32 -3.168 8.293 3.449
227 2HG ARG 32 2HG ARG 32 -2.364 7.319 4.683
228 1HD ARG 32 1HD ARG 32 -3.421 8.396 6.484
229 2HD ARG 32 2HD ARG 32 -4.010 9.742 5.525
230 HE ARG 32 HE ARG 32 -5.120 7.012 5.672
231 1HH1 ARG 32 1HH2 ARG 32 -5.083 10.052 3.768
232 2HH1 ARG 32 2HH2 ARG 32 -6.420 9.604 2.813
233 1HH2 ARG 32 2HH1 ARG 32 -6.835 6.440 4.456
234 2HH2 ARG 32 1HH1 ARG 32 -7.612 7.541 3.330
235 H HIS 33 H HIS 33 0.462 10.446 2.864
236 HA HIS 33 HA HIS 33 1.525 12.837 4.336
237 1HB HIS 33 2HB HIS 33 2.953 10.335 3.309
238 2HB HIS 33 1HB HIS 33 3.758 11.775 3.921
239 HD1 HIS 33 HD1 HIS 33 0.928 9.594 5.346
240 HD2 HIS 33 HD2 HIS 33 4.680 11.146 6.357
241 HE1 HIS 33 HE1 HIS 33 1.395 8.872 7.723
242 H GLY 34 H GLY 34 2.986 14.141 3.157
243 1HA GLY 34 1HA GLY 34 3.614 13.595 0.460
244 2HA GLY 34 2HA GLY 34 2.485 14.972 0.558
245 H SER 35 H SER 35 5.304 14.962 -0.282
246 HA SER 35 HA SER 35 6.456 17.006 1.354
247 1HB SER 35 1HB SER 35 7.303 14.121 1.820
248 2HB SER 35 2HB SER 35 8.550 15.366 1.827
249 HG SER 35 HG SER 35 6.192 15.292 3.375
250 H CYS 36 H CYS 36 8.385 17.760 0.479
251 HA CYS 36 HA CYS 36 8.637 17.291 -2.418
252 1HB CYS 36 1HB CYS 36 8.586 19.566 -1.619
253 2HB CYS 36 2HB CYS 36 9.934 19.258 -0.496
254 H ASN 37 H ASN 37 10.246 16.104 -3.309
255 HA ASN 37 HA ASN 37 12.568 15.212 -1.634
256 1HB ASN 37 1HB ASN 37 11.285 13.297 -2.403
257 2HB ASN 37 2HB ASN 37 11.143 13.994 -4.029
258 1HD2 ASN 37 2HD2 ASN 37 14.874 12.570 -2.985
259 2HD2 ASN 37 1HD2 ASN 37 13.877 13.300 -1.739
260 H TYR 38 H TYR 38 14.652 15.332 -2.729
261 HA TYR 38 HA TYR 38 14.726 17.363 -4.866
262 1HB TYR 38 1HB TYR 38 16.341 17.746 -3.130
263 2HB TYR 38 2HB TYR 38 17.013 16.133 -3.324
264 HD1 TYR 38 HD2 TYR 38 16.084 19.015 -5.636
265 HD2 TYR 38 HD1 TYR 38 19.115 16.169 -4.477
266 HE1 TYR 38 HE2 TYR 38 17.282 19.425 -7.746
267 HE2 TYR 38 HE1 TYR 38 20.273 16.550 -6.633
268 HH TYR 38 HH TYR 38 18.872 18.602 -9.208
269 H VAL 39 H VAL 39 17.190 14.980 -5.032
270 HA VAL 39 HA VAL 39 17.858 13.626 -6.665
271 HB VAL 39 HB VAL 39 14.895 12.999 -7.057
272 1HG1 VAL 39 3HG1 VAL 39 17.349 11.583 -8.163
273 2HG1 VAL 39 1HG1 VAL 39 15.701 10.927 -8.150
274 3HG1 VAL 39 2HG1 VAL 39 16.055 12.365 -9.103
275 1HG2 VAL 39 3HG2 VAL 39 15.868 12.429 -4.812
276 2HG2 VAL 39 1HG2 VAL 39 15.412 11.003 -5.751
277 3HG2 VAL 39 2HG2 VAL 39 17.120 11.478 -5.628
278 H PHE 40 H PHE 40 18.274 13.628 -8.980
279 HA PHE 40 HA PHE 40 18.143 16.217 -10.078
280 1HB PHE 40 1HB PHE 40 19.188 15.286 -12.005
281 2HB PHE 40 2HB PHE 40 19.792 14.381 -10.641
282 HD1 PHE 40 HD1 PHE 40 19.056 11.982 -10.309
283 HD2 PHE 40 HD2 PHE 40 17.791 14.304 -13.727
284 HE1 PHE 40 HE1 PHE 40 18.144 9.942 -11.369
285 HE2 PHE 40 HE2 PHE 40 16.899 12.253 -14.782
286 HZ PHE 40 HZ PHE 40 17.056 10.072 -13.600
287 HA PRO 41 HA PRO 41 18.066 17.194 -12.198
288 1HB PRO 41 1HB PRO 41 16.703 18.981 -13.675
289 2HB PRO 41 2HB PRO 41 17.137 17.363 -14.301
290 1HG PRO 41 1HG PRO 41 14.458 18.251 -13.214
291 2HG PRO 41 2HG PRO 41 14.801 17.310 -14.685
292 1HD PRO 41 1HD PRO 41 14.100 16.143 -12.264
293 2HD PRO 41 2HD PRO 41 15.127 15.334 -13.474
294 H ALA 42 H ALA 42 14.749 18.054 -11.122
295 HA ALA 42 HA ALA 42 15.813 20.182 -9.324
296 1HB ALA 42 1HB ALA 42 14.841 21.165 -11.378
297 2HB ALA 42 2HB ALA 42 13.327 20.283 -11.080
298 3HB ALA 42 3HB ALA 42 13.867 21.540 -9.947
299 H HIS 43 H HIS 43 13.942 20.806 -7.767
300 HA HIS 43 HA HIS 43 13.367 18.521 -6.180
301 1HB HIS 43 2HB HIS 43 12.271 21.388 -6.107
302 2HB HIS 43 1HB HIS 43 11.910 20.152 -4.938
303 HD1 HIS 43 HD1 HIS 43 13.651 19.425 -3.210
304 HD2 HIS 43 HD2 HIS 43 15.040 22.317 -5.915
305 HE1 HIS 43 HE1 HIS 43 15.868 20.292 -2.322
306 H LYS 44 H LYS 44 11.484 17.328 -5.868
307 HA LYS 44 HA LYS 44 9.240 17.758 -7.787
308 1HB LYS 44 1HB LYS 44 9.313 15.353 -8.332
309 2HB LYS 44 2HB LYS 44 10.739 16.254 -8.866
310 1HG LYS 44 1HG LYS 44 11.941 15.410 -6.760
311 2HG LYS 44 2HG LYS 44 10.531 14.419 -6.441
312 1HD LYS 44 1HD LYS 44 12.275 13.113 -7.490
313 2HD LYS 44 2HD LYS 44 10.843 13.182 -8.521
314 1HE LYS 44 1HE LYS 44 13.013 13.346 -9.740
315 2HE LYS 44 2HE LYS 44 11.930 14.695 -10.078
316 1HZ LYS 44 2HZ LYS 44 14.031 14.910 -8.015
317 2HZ LYS 44 3HZ LYS 44 14.368 15.160 -9.580
318 3HZ LYS 44 1HZ LYS 44 13.291 16.119 -8.799
319 H CYS 45 H CYS 45 7.262 17.358 -6.946
320 HA CYS 45 HA CYS 45 7.049 16.999 -4.062
321 1HB CYS 45 1HB CYS 45 5.581 18.563 -5.224
322 2HB CYS 45 2HB CYS 45 4.981 17.267 -6.267
323 H ILE 46 H ILE 46 6.741 15.062 -3.018
324 HA ILE 46 HA ILE 46 5.804 12.697 -4.592
325 HB ILE 46 HB ILE 46 7.485 12.781 -2.057
326 1HG1 ILE 46 1HG1 ILE 46 8.885 13.464 -3.911
327 2HG1 ILE 46 2HG1 ILE 46 9.321 11.851 -3.355
328 1HG2 ILE 46 1HG2 ILE 46 6.458 10.442 -3.714
329 2HG2 ILE 46 2HG2 ILE 46 7.692 10.311 -2.442
330 3HG2 ILE 46 3HG2 ILE 46 6.059 10.836 -2.038
331 1HD1 ILE 46 1HD1 ILE 46 8.084 10.865 -5.300
332 2HD1 ILE 46 2HD1 ILE 46 7.730 12.514 -5.869
333 3HD1 ILE 46 3HD1 ILE 46 9.401 11.948 -5.778
334 H CYS 47 H CYS 47 3.990 11.667 -3.785
335 HA CYS 47 HA CYS 47 3.002 12.471 -1.126
336 1HB CYS 47 1HB CYS 47 1.940 13.906 -2.919
337 2HB CYS 47 2HB CYS 47 1.199 12.425 -3.549
338 H TYR 48 H TYR 48 1.571 10.921 -0.151
339 HA TYR 48 HA TYR 48 2.088 8.172 -1.231
340 1HB TYR 48 1HB TYR 48 2.151 9.129 1.630
341 2HB TYR 48 2HB TYR 48 2.447 7.499 1.044
342 HD1 TYR 48 HD1 TYR 48 3.836 10.968 1.074
343 HD2 TYR 48 HD2 TYR 48 4.585 6.817 0.184
344 HE1 TYR 48 HE1 TYR 48 6.247 11.449 0.900
345 HE2 TYR 48 HE2 TYR 48 7.014 7.302 0.030
346 HH TYR 48 HH TYR 48 8.351 10.577 0.505
347 H PHE 49 H PHE 49 0.280 7.029 -1.616
348 HA PHE 49 HA PHE 49 -2.237 7.843 -0.266
349 1HB PHE 49 1HB PHE 49 -2.057 6.163 -2.748
350 2HB PHE 49 2HB PHE 49 -3.392 7.103 -2.170
351 HD1 PHE 49 HD1 PHE 49 -1.572 9.708 -1.737
352 HD2 PHE 49 HD2 PHE 49 -2.436 7.057 -5.018
353 HE1 PHE 49 HE1 PHE 49 -1.109 11.534 -3.333
354 HE2 PHE 49 HE2 PHE 49 -2.063 8.917 -6.606
355 HZ PHE 49 HZ PHE 49 -1.346 11.167 -5.740
356 HA PRO 50 HA PRO 50 -2.257 3.632 1.428
357 1HB PRO 50 1HB PRO 50 -4.941 3.197 1.696
358 2HB PRO 50 2HB PRO 50 -4.000 4.291 2.757
359 1HG PRO 50 1HG PRO 50 -5.661 5.046 0.340
360 2HG PRO 50 2HG PRO 50 -5.703 5.785 1.966
361 1HD PRO 50 1HD PRO 50 -4.234 6.842 -0.091
362 2HD PRO 50 2HD PRO 50 -3.606 6.879 1.602
363 H CYS 51 H CYS 51 -1.945 1.779 0.196
364 HA CYS 51 HA CYS 51 -3.643 1.015 -2.031
365 1HB CYS 51 1HB CYS 51 -2.681 2.512 -3.473
366 2HB CYS 51 2HB CYS 51 -1.325 2.794 -2.407
No H/Q in entry = 366
Start of MODEL 13
1 HA PCA 1 HA PYR 1 -2.624 -0.674 5.486
2 1HB PCA 1 1HB PYR 1 -3.517 0.683 2.963
3 2HB PCA 1 2HB PYR 1 -3.873 -0.976 3.514
4 1HG PCA 1 1HG PYR 1 -5.699 1.153 3.662
5 2HG PCA 1 2HG PYR 1 -5.720 -0.241 4.784
6 HN PCA 1 HN PYR 1 -2.909 1.672 6.596
7 H LYS 2 H LYS 2 -0.721 -0.980 4.154
8 HA LYS 2 HA LYS 2 1.286 0.905 4.560
9 1HB LYS 2 1HB LYS 2 2.608 -0.443 2.953
10 2HB LYS 2 2HB LYS 2 1.858 -1.378 4.232
11 1HG LYS 2 1HG LYS 2 0.524 -2.569 2.870
12 2HG LYS 2 2HG LYS 2 0.135 -1.242 1.804
13 1HD LYS 2 1HD LYS 2 2.670 -2.944 1.779
14 2HD LYS 2 2HD LYS 2 1.347 -2.991 0.615
15 1HE LYS 2 1HE LYS 2 3.444 -0.811 0.980
16 2HE LYS 2 2HE LYS 2 3.126 -1.794 -0.442
17 1HZ LYS 2 3HZ LYS 2 1.192 0.168 0.628
18 2HZ LYS 2 1HZ LYS 2 2.282 0.530 -0.505
19 3HZ LYS 2 2HZ LYS 2 1.068 -0.584 -0.776
20 H LEU 3 H LEU 3 2.144 2.622 3.430
21 HA LEU 3 HA LEU 3 0.487 3.854 1.486
22 1HB LEU 3 1HB LEU 3 3.298 4.468 2.345
23 2HB LEU 3 2HB LEU 3 2.321 5.540 1.350
24 HG LEU 3 HG LEU 3 1.414 4.658 4.128
25 1HD1 LEU 3 3HD1 LEU 3 3.596 5.795 4.327
26 2HD1 LEU 3 1HD1 LEU 3 2.988 7.160 3.376
27 3HD1 LEU 3 2HD1 LEU 3 2.285 6.802 4.962
28 1HD2 LEU 3 1HD2 LEU 3 0.590 6.971 2.329
29 2HD2 LEU 3 2HD2 LEU 3 -0.384 5.545 2.746
30 3HD2 LEU 3 3HD2 LEU 3 0.049 6.716 3.997
31 H CYS 4 H CYS 4 1.007 4.531 -0.637
32 HA CYS 4 HA CYS 4 3.216 3.252 -2.141
33 1HB CYS 4 1HB CYS 4 0.342 3.560 -3.123
34 2HB CYS 4 2HB CYS 4 1.717 3.150 -4.131
35 H GLU 5 H GLU 5 4.085 4.766 -3.591
36 HA GLU 5 HA GLU 5 3.397 7.536 -2.997
37 1HB GLU 5 1HB GLU 5 5.753 6.284 -4.475
38 2HB GLU 5 2HB GLU 5 5.561 7.992 -4.077
39 1HG GLU 5 1HG GLU 5 6.999 7.132 -2.421
40 2HG GLU 5 2HG GLU 5 5.430 7.383 -1.651
41 HE2 GLU 5 HE2 GLU 5 6.331 4.222 -0.350
42 H ARG 6 H ARG 6 3.003 9.132 -4.554
43 HA ARG 6 HA ARG 6 2.939 8.352 -7.399
44 1HB ARG 6 1HB ARG 6 0.562 8.523 -6.454
45 2HB ARG 6 2HB ARG 6 0.863 10.280 -6.299
46 1HG ARG 6 1HG ARG 6 1.222 10.531 -8.648
47 2HG ARG 6 2HG ARG 6 1.258 8.767 -8.868
48 1HD ARG 6 1HD ARG 6 -0.810 9.115 -9.637
49 2HD ARG 6 2HD ARG 6 -1.209 8.843 -7.955
50 HE ARG 6 HE ARG 6 -0.969 11.508 -9.397
51 1HH1 ARG 6 2HH2 ARG 6 -2.582 9.697 -6.751
52 2HH1 ARG 6 1HH2 ARG 6 -3.732 10.996 -6.528
53 1HH2 ARG 6 2HH1 ARG 6 -2.459 13.070 -9.006
54 2HH2 ARG 6 1HH1 ARG 6 -3.707 12.841 -7.781
55 HA PRO 7 HA PRO 7 5.543 12.042 -6.934
56 1HB PRO 7 1HB PRO 7 6.854 12.006 -9.298
57 2HB PRO 7 2HB PRO 7 6.979 10.645 -8.173
58 1HG PRO 7 1HG PRO 7 5.063 10.853 -10.520
59 2HG PRO 7 2HG PRO 7 6.261 9.563 -10.206
60 1HD PRO 7 1HD PRO 7 3.647 9.372 -9.396
61 2HD PRO 7 2HD PRO 7 4.989 8.682 -8.434
62 H SER 8 H SER 8 5.875 13.603 -9.507
63 HA SER 8 HA SER 8 4.211 15.608 -9.338
64 1HB SER 8 1HB SER 8 5.237 14.707 -12.026
65 2HB SER 8 2HB SER 8 5.218 16.330 -11.305
66 HG SER 8 HG SER 8 7.303 15.456 -11.174
67 H GLY 9 H GLY 9 2.703 12.741 -10.119
68 1HA GLY 9 1HA GLY 9 0.969 13.586 -12.325
69 2HA GLY 9 2HA GLY 9 0.818 12.140 -11.315
70 H THR 10 H THR 10 0.934 15.528 -10.324
71 HA THR 10 HA THR 10 -1.811 15.919 -10.032
72 HB THR 10 HB THR 10 -0.620 16.298 -7.289
73 HG1 THR 10 HG1 THR 10 -0.046 14.134 -7.820
74 1HG2 THR 10 1HG2 THR 10 -2.888 17.030 -8.018
75 2HG2 THR 10 2HG2 THR 10 -3.332 15.326 -8.245
76 3HG2 THR 10 3HG2 THR 10 -2.899 15.940 -6.629
77 H TRP 11 H TRP 11 1.216 16.874 -8.375
78 HA TRP 11 HA TRP 11 1.007 19.664 -9.306
79 1HB TRP 11 1HB TRP 11 1.723 18.950 -6.983
80 2HB TRP 11 2HB TRP 11 3.198 18.314 -7.696
81 HD1 TRP 11 HD1 TRP 11 4.178 20.618 -9.517
82 HE1 TRP 11 HE1 TRP 11 4.916 22.874 -8.554
83 HE3 TRP 11 HE3 TRP 11 1.731 20.441 -5.006
84 HZ2 TRP 11 HZ2 TRP 11 4.406 24.456 -6.228
85 HZ3 TRP 11 HZ3 TRP 11 1.845 22.372 -3.476
86 HH2 TRP 11 HH2 TRP 11 3.259 24.307 -4.015
87 H SER 12 H SER 12 1.046 18.941 -11.591
88 HA SER 12 HA SER 12 3.433 17.555 -12.537
89 1HB SER 12 1HB SER 12 1.149 18.798 -14.115
90 2HB SER 12 2HB SER 12 2.303 17.567 -14.662
91 HG SER 12 HG SER 12 1.476 16.393 -12.662
92 H GLY 13 H GLY 13 4.732 19.314 -11.479
93 1HA GLY 13 1HA GLY 13 6.106 20.802 -13.476
94 2HA GLY 13 2HA GLY 13 5.111 21.897 -12.477
95 H VAL 14 H VAL 14 7.514 22.562 -11.924
96 HA VAL 14 HA VAL 14 9.000 20.871 -10.123
97 HB VAL 14 HB VAL 14 9.049 23.910 -10.358
98 1HG1 VAL 14 1HG1 VAL 14 11.100 21.903 -9.308
99 2HG1 VAL 14 2HG1 VAL 14 11.379 23.644 -9.517
100 3HG1 VAL 14 3HG1 VAL 14 10.193 23.082 -8.338
101 1HG2 VAL 14 2HG2 VAL 14 10.634 21.789 -11.876
102 2HG2 VAL 14 3HG2 VAL 14 9.495 22.956 -12.576
103 3HG2 VAL 14 1HG2 VAL 14 11.009 23.524 -11.872
104 H CYS 15 H CYS 15 8.787 20.659 -7.911
105 HA CYS 15 HA CYS 15 6.165 21.099 -6.894
106 1HB CYS 15 1HB CYS 15 6.764 19.804 -5.114
107 2HB CYS 15 2HB CYS 15 7.870 19.233 -6.364
108 H GLY 16 H GLY 16 9.052 23.044 -6.628
109 1HA GLY 16 1HA GLY 16 9.354 25.121 -5.694
110 2HA GLY 16 2HA GLY 16 7.675 25.117 -5.148
111 H ASN 17 H ASN 17 7.599 22.902 -3.405
112 HA ASN 17 HA ASN 17 9.652 23.172 -1.369
113 1HB ASN 17 1HB ASN 17 8.726 25.413 -1.116
114 2HB ASN 17 2HB ASN 17 7.076 24.777 -1.161
115 1HD2 ASN 17 2HD2 ASN 17 9.283 24.467 2.307
116 2HD2 ASN 17 1HD2 ASN 17 10.090 24.811 0.790
117 H ASN 18 H ASN 18 9.455 21.661 0.212
118 HA ASN 18 HA ASN 18 7.990 19.376 0.108
119 1HB ASN 18 1HB ASN 18 9.926 19.858 1.582
120 2HB ASN 18 2HB ASN 18 8.900 20.802 2.642
121 1HD2 ASN 18 2HD2 ASN 18 8.516 16.701 2.560
122 2HD2 ASN 18 1HD2 ASN 18 9.488 17.527 1.340
123 H ASN 19 H ASN 19 7.278 22.046 2.269
124 HA ASN 19 HA ASN 19 4.909 20.903 3.335
125 1HB ASN 19 1HB ASN 19 6.235 22.539 4.568
126 2HB ASN 19 2HB ASN 19 5.759 23.815 3.433
127 1HD2 ASN 19 2HD2 ASN 19 2.680 24.373 5.085
128 2HD2 ASN 19 1HD2 ASN 19 3.889 24.963 3.960
129 H ALA 20 H ALA 20 5.397 23.355 0.753
130 HA ALA 20 HA ALA 20 2.628 23.891 0.304
131 1HB ALA 20 2HB ALA 20 4.502 25.187 -0.749
132 2HB ALA 20 3HB ALA 20 4.770 23.817 -1.862
133 3HB ALA 20 1HB ALA 20 3.218 24.682 -1.855
134 H CYS 21 H CYS 21 4.816 21.537 -1.332
135 HA CYS 21 HA CYS 21 2.917 20.210 -2.893
136 1HB CYS 21 1HB CYS 21 5.119 19.588 -3.316
137 2HB CYS 21 2HB CYS 21 5.510 19.410 -1.604
138 H LYS 22 H LYS 22 3.954 19.472 0.431
139 HA LYS 22 HA LYS 22 2.370 17.264 0.990
140 1HB LYS 22 1HB LYS 22 4.179 18.149 2.389
141 2HB LYS 22 2HB LYS 22 3.253 19.576 2.770
142 1HG LYS 22 1HG LYS 22 1.613 18.406 4.022
143 2HG LYS 22 2HG LYS 22 2.322 16.841 3.687
144 1HD LYS 22 1HD LYS 22 3.816 19.135 5.096
145 2HD LYS 22 2HD LYS 22 2.774 18.016 5.956
146 1HE LYS 22 1HE LYS 22 5.076 17.331 6.251
147 2HE LYS 22 2HE LYS 22 4.164 16.099 5.364
148 1HZ LYS 22 3HZ LYS 22 6.050 18.032 4.123
149 2HZ LYS 22 1HZ LYS 22 6.321 16.432 4.332
150 3HZ LYS 22 2HZ LYS 22 5.136 16.879 3.361
151 H ASN 23 H ASN 23 1.579 20.636 1.909
152 HA ASN 23 HA ASN 23 -1.034 20.110 2.805
153 1HB ASN 23 1HB ASN 23 -0.037 22.258 3.283
154 2HB ASN 23 2HB ASN 23 0.265 22.571 1.570
155 1HD2 ASN 23 2HD2 ASN 23 -2.550 24.708 1.791
156 2HD2 ASN 23 1HD2 ASN 23 -0.800 24.626 1.741
157 H GLN 24 H GLN 24 -0.014 21.390 -0.427
158 HA GLN 24 HA GLN 24 -2.593 21.448 -1.467
159 1HB GLN 24 1HB GLN 24 -0.528 22.489 -2.425
160 2HB GLN 24 2HB GLN 24 -0.009 20.905 -3.022
161 1HG GLN 24 1HG GLN 24 -2.775 21.863 -3.777
162 2HG GLN 24 2HG GLN 24 -1.400 22.722 -4.474
163 1HE2 GLN 24 2HE2 GLN 24 -0.461 20.214 -6.728
164 2HE2 GLN 24 1HE2 GLN 24 0.037 21.677 -5.882
165 H CYS 25 H CYS 25 -0.249 18.702 -1.635
166 HA CYS 25 HA CYS 25 -1.924 17.030 -3.158
167 1HB CYS 25 1HB CYS 25 0.459 16.464 -2.570
168 2HB CYS 25 2HB CYS 25 -0.076 16.084 -0.935
169 H ILE 26 H ILE 26 -1.598 17.073 0.468
170 HA ILE 26 HA ILE 26 -3.686 15.058 0.659
171 HB ILE 26 HB ILE 26 -3.338 15.064 2.980
172 1HG1 ILE 26 1HG1 ILE 26 -1.991 17.763 2.673
173 2HG1 ILE 26 2HG1 ILE 26 -3.463 17.366 3.572
174 1HG2 ILE 26 1HG2 ILE 26 -1.521 14.181 1.460
175 2HG2 ILE 26 2HG2 ILE 26 -0.604 15.660 1.787
176 3HG2 ILE 26 3HG2 ILE 26 -1.012 14.556 3.110
177 1HD1 ILE 26 1HD1 ILE 26 -2.098 15.921 5.099
178 2HD1 ILE 26 2HD1 ILE 26 -0.631 16.521 4.283
179 3HD1 ILE 26 3HD1 ILE 26 -1.685 17.647 5.151
180 H ASN 27 H ASN 27 -3.731 18.485 0.414
181 HA ASN 27 HA ASN 27 -6.322 18.886 1.691
182 1HB ASN 27 1HB ASN 27 -4.441 20.488 1.492
183 2HB ASN 27 2HB ASN 27 -4.740 20.660 -0.239
184 1HD2 ASN 27 2HD2 ASN 27 -6.372 23.317 1.971
185 2HD2 ASN 27 1HD2 ASN 27 -4.757 22.593 1.984
186 H LEU 28 H LEU 28 -5.044 19.026 -1.658
187 HA LEU 28 HA LEU 28 -7.613 19.334 -2.830
188 1HB LEU 28 1HB LEU 28 -5.107 19.974 -3.606
189 2HB LEU 28 2HB LEU 28 -5.216 18.421 -4.431
190 HG LEU 28 HG LEU 28 -7.472 19.405 -5.380
191 1HD1 LEU 28 2HD1 LEU 28 -6.044 21.939 -4.394
192 2HD1 LEU 28 3HD1 LEU 28 -7.490 21.903 -5.423
193 3HD1 LEU 28 1HD1 LEU 28 -7.574 21.329 -3.751
194 1HD2 LEU 28 3HD2 LEU 28 -4.763 20.603 -6.133
195 2HD2 LEU 28 1HD2 LEU 28 -5.422 19.065 -6.722
196 3HD2 LEU 28 2HD2 LEU 28 -6.210 20.590 -7.165
197 H GLU 29 H GLU 29 -5.324 16.554 -2.769
198 HA GLU 29 HA GLU 29 -7.633 14.767 -3.435
199 1HB GLU 29 1HB GLU 29 -6.035 13.046 -4.079
200 2HB GLU 29 2HB GLU 29 -6.023 14.463 -5.128
201 1HG GLU 29 1HG GLU 29 -3.956 15.272 -3.983
202 2HG GLU 29 2HG GLU 29 -3.904 13.758 -3.053
203 HE2 GLU 29 HE2 GLU 29 -1.822 13.801 -6.136
204 H LYS 30 H LYS 30 -7.063 12.555 -2.131
205 HA LYS 30 HA LYS 30 -6.937 13.536 0.681
206 1HB LYS 30 1HB LYS 30 -8.570 11.320 -0.522
207 2HB LYS 30 2HB LYS 30 -8.570 11.766 1.189
208 1HG LYS 30 1HG LYS 30 -9.240 13.858 -0.945
209 2HG LYS 30 2HG LYS 30 -10.411 12.674 -0.428
210 1HD LYS 30 1HD LYS 30 -10.760 14.759 0.730
211 2HD LYS 30 2HD LYS 30 -10.431 13.422 1.821
212 1HE LYS 30 1HE LYS 30 -9.426 15.489 2.626
213 2HE LYS 30 2HE LYS 30 -8.205 14.267 2.317
214 1HZ LYS 30 1HZ LYS 30 -7.734 15.454 0.210
215 2HZ LYS 30 2HZ LYS 30 -8.738 16.677 0.617
216 3HZ LYS 30 3HZ LYS 30 -7.427 16.314 1.514
217 H ALA 31 H ALA 31 -4.733 12.454 -1.066
218 HA ALA 31 HA ALA 31 -3.540 10.140 -0.052
219 1HB ALA 31 1HB ALA 31 -2.621 11.777 -1.783
220 2HB ALA 31 2HB ALA 31 -2.269 12.879 -0.450
221 3HB ALA 31 3HB ALA 31 -1.449 11.301 -0.540
222 H ARG 32 H ARG 32 -1.995 9.878 1.749
223 HA ARG 32 HA ARG 32 -3.099 11.243 4.160
224 1HB ARG 32 1HB ARG 32 -1.439 8.727 3.745
225 2HB ARG 32 2HB ARG 32 -1.655 9.474 5.340
226 1HG ARG 32 1HG ARG 32 -4.081 9.346 5.153
227 2HG ARG 32 2HG ARG 32 -3.943 8.621 3.537
228 1HD ARG 32 1HD ARG 32 -2.709 6.695 4.554
229 2HD ARG 32 2HD ARG 32 -2.919 7.436 6.159
230 HE ARG 32 HE ARG 32 -5.475 7.276 5.010
231 1HH1 ARG 32 2HH2 ARG 32 -2.960 5.034 6.141
232 2HH1 ARG 32 1HH2 ARG 32 -4.104 3.727 6.392
233 1HH2 ARG 32 1HH1 ARG 32 -6.956 5.479 5.408
234 2HH2 ARG 32 2HH1 ARG 32 -6.274 3.955 5.934
235 H HIS 33 H HIS 33 0.115 10.572 2.693
236 HA HIS 33 HA HIS 33 1.094 12.976 4.190
237 1HB HIS 33 2HB HIS 33 2.878 10.694 3.346
238 2HB HIS 33 1HB HIS 33 3.310 12.147 4.240
239 HD1 HIS 33 HD1 HIS 33 0.370 11.531 5.949
240 HD2 HIS 33 HD2 HIS 33 3.963 9.388 5.688
241 HE1 HIS 33 HE1 HIS 33 0.353 9.832 7.830
242 H GLY 34 H GLY 34 2.609 14.262 3.021
243 1HA GLY 34 1HA GLY 34 3.120 13.703 0.260
244 2HA GLY 34 2HA GLY 34 2.140 15.162 0.489
245 H SER 35 H SER 35 5.091 14.701 -0.318
246 HA SER 35 HA SER 35 6.380 16.629 1.412
247 1HB SER 35 1HB SER 35 6.303 13.927 2.432
248 2HB SER 35 2HB SER 35 7.913 14.131 1.785
249 HG SER 35 HG SER 35 7.904 14.825 3.876
250 H CYS 36 H CYS 36 7.070 17.642 -0.444
251 HA CYS 36 HA CYS 36 8.292 16.169 -2.637
252 1HB CYS 36 1HB CYS 36 7.279 18.361 -3.075
253 2HB CYS 36 2HB CYS 36 8.387 19.135 -1.946
254 H ASN 37 H ASN 37 10.474 15.943 -3.108
255 HA ASN 37 HA ASN 37 12.508 16.830 -1.154
256 1HB ASN 37 1HB ASN 37 11.948 14.575 -0.392
257 2HB ASN 37 2HB ASN 37 11.983 13.957 -2.044
258 1HD2 ASN 37 2HD2 ASN 37 15.444 13.252 -1.846
259 2HD2 ASN 37 1HD2 ASN 37 13.861 12.780 -2.436
260 H TYR 38 H TYR 38 14.694 16.518 -2.134
261 HA TYR 38 HA TYR 38 14.788 17.253 -4.950
262 1HB TYR 38 1HB TYR 38 16.332 18.226 -3.296
263 2HB TYR 38 2HB TYR 38 16.941 16.624 -2.905
264 HD1 TYR 38 HD2 TYR 38 16.405 18.706 -6.037
265 HD2 TYR 38 HD1 TYR 38 19.040 16.121 -3.803
266 HE1 TYR 38 HE2 TYR 38 18.124 18.915 -7.806
267 HE2 TYR 38 HE1 TYR 38 20.739 16.316 -5.581
268 HH TYR 38 HH TYR 38 21.306 17.314 -7.582
269 H VAL 39 H VAL 39 13.432 15.107 -5.220
270 HA VAL 39 HA VAL 39 15.173 12.753 -5.713
271 HB VAL 39 HB VAL 39 12.286 13.317 -6.508
272 1HG1 VAL 39 1HG1 VAL 39 13.961 10.766 -6.664
273 2HG1 VAL 39 2HG1 VAL 39 12.232 10.895 -7.041
274 3HG1 VAL 39 3HG1 VAL 39 13.421 11.720 -8.058
275 1HG2 VAL 39 2HG2 VAL 39 13.494 11.640 -4.275
276 2HG2 VAL 39 3HG2 VAL 39 12.482 13.096 -4.105
277 3HG2 VAL 39 1HG2 VAL 39 11.786 11.607 -4.755
278 H PHE 40 H PHE 40 16.694 13.394 -7.125
279 HA PHE 40 HA PHE 40 16.912 15.425 -8.733
280 1HB PHE 40 1HB PHE 40 18.692 13.906 -8.324
281 2HB PHE 40 2HB PHE 40 17.900 12.603 -9.213
282 HD1 PHE 40 HD2 PHE 40 17.947 12.532 -11.684
283 HD2 PHE 40 HD1 PHE 40 20.040 15.580 -9.450
284 HE1 PHE 40 HE2 PHE 40 19.289 13.092 -13.688
285 HE2 PHE 40 HE1 PHE 40 21.356 16.147 -11.467
286 HZ PHE 40 HZ PHE 40 20.978 14.913 -13.592
287 HA PRO 41 HA PRO 41 17.640 16.347 -10.528
288 1HB PRO 41 1HB PRO 41 16.595 17.932 -12.741
289 2HB PRO 41 2HB PRO 41 18.133 17.055 -12.636
290 1HG PRO 41 1HG PRO 41 16.033 16.303 -14.329
291 2HG PRO 41 2HG PRO 41 17.312 15.218 -13.725
292 1HD PRO 41 1HD PRO 41 14.509 15.546 -12.677
293 2HD PRO 41 2HD PRO 41 15.476 14.062 -12.889
294 H ALA 42 H ALA 42 14.506 17.579 -11.837
295 HA ALA 42 HA ALA 42 14.509 19.824 -10.087
296 1HB ALA 42 1HB ALA 42 13.334 19.809 -12.250
297 2HB ALA 42 2HB ALA 42 12.210 18.567 -11.647
298 3HB ALA 42 3HB ALA 42 12.218 20.188 -10.923
299 H HIS 43 H HIS 43 13.276 20.281 -8.250
300 HA HIS 43 HA HIS 43 12.693 18.165 -6.401
301 1HB HIS 43 2HB HIS 43 11.799 21.077 -6.471
302 2HB HIS 43 1HB HIS 43 11.626 20.013 -5.089
303 HD1 HIS 43 HD1 HIS 43 14.232 22.066 -6.861
304 HD2 HIS 43 HD2 HIS 43 13.941 19.408 -3.631
305 HE1 HIS 43 HE1 HIS 43 16.398 22.225 -5.556
306 H LYS 44 H LYS 44 10.889 16.951 -6.305
307 HA LYS 44 HA LYS 44 8.525 17.651 -7.983
308 1HB LYS 44 1HB LYS 44 8.511 15.310 -8.796
309 2HB LYS 44 2HB LYS 44 9.813 16.342 -9.410
310 1HG LYS 44 1HG LYS 44 11.418 15.270 -7.835
311 2HG LYS 44 2HG LYS 44 10.104 14.308 -7.163
312 1HD LYS 44 1HD LYS 44 11.363 12.936 -8.718
313 2HD LYS 44 2HD LYS 44 9.732 13.203 -9.329
314 1HE LYS 44 1HE LYS 44 11.387 13.316 -11.126
315 2HE LYS 44 2HE LYS 44 10.568 14.868 -10.945
316 1HZ LYS 44 1HZ LYS 44 13.263 14.212 -9.878
317 2HZ LYS 44 2HZ LYS 44 12.945 15.131 -11.199
318 3HZ LYS 44 3HZ LYS 44 12.522 15.636 -9.692
319 H CYS 45 H CYS 45 6.592 17.025 -7.217
320 HA CYS 45 HA CYS 45 6.507 16.739 -4.370
321 1HB CYS 45 1HB CYS 45 4.986 18.208 -5.637
322 2HB CYS 45 2HB CYS 45 4.281 16.790 -6.423
323 H ILE 46 H ILE 46 7.172 14.738 -3.655
324 HA ILE 46 HA ILE 46 5.922 12.278 -4.663
325 HB ILE 46 HB ILE 46 7.534 12.673 -2.123
326 1HG1 ILE 46 1HG1 ILE 46 8.959 13.490 -3.882
327 2HG1 ILE 46 2HG1 ILE 46 9.526 11.926 -3.332
328 1HG2 ILE 46 2HG2 ILE 46 6.917 10.201 -3.786
329 2HG2 ILE 46 3HG2 ILE 46 7.990 10.259 -2.371
330 3HG2 ILE 46 1HG2 ILE 46 6.266 10.598 -2.192
331 1HD1 ILE 46 3HD1 ILE 46 8.488 10.852 -5.345
332 2HD1 ILE 46 1HD1 ILE 46 7.921 12.451 -5.887
333 3HD1 ILE 46 2HD1 ILE 46 9.651 12.112 -5.782
334 H CYS 47 H CYS 47 3.903 11.671 -4.035
335 HA CYS 47 HA CYS 47 2.979 12.511 -1.351
336 1HB CYS 47 1HB CYS 47 1.965 13.865 -3.233
337 2HB CYS 47 2HB CYS 47 1.148 12.372 -3.743
338 H TYR 48 H TYR 48 1.567 11.085 -0.237
339 HA TYR 48 HA TYR 48 2.067 8.257 -1.046
340 1HB TYR 48 1HB TYR 48 2.096 9.460 1.721
341 2HB TYR 48 2HB TYR 48 2.494 7.816 1.259
342 HD1 TYR 48 HD1 TYR 48 3.647 11.376 0.817
343 HD2 TYR 48 HD2 TYR 48 4.745 7.208 0.924
344 HE1 TYR 48 HE1 TYR 48 6.027 11.998 0.572
345 HE2 TYR 48 HE2 TYR 48 7.126 7.839 0.777
346 HH TYR 48 HH TYR 48 8.645 9.572 0.580
347 H PHE 49 H PHE 49 0.290 6.990 -1.157
348 HA PHE 49 HA PHE 49 -2.185 7.752 0.289
349 1HB PHE 49 1HB PHE 49 -2.101 6.184 -2.285
350 2HB PHE 49 2HB PHE 49 -3.413 7.056 -1.577
351 HD1 PHE 49 HD2 PHE 49 -0.021 7.683 -3.128
352 HD2 PHE 49 HD1 PHE 49 -4.073 9.082 -2.624
353 HE1 PHE 49 HE2 PHE 49 0.561 9.782 -4.230
354 HE2 PHE 49 HE1 PHE 49 -3.588 10.962 -4.133
355 HZ PHE 49 HZ PHE 49 -1.231 11.328 -4.981
356 HA PRO 50 HA PRO 50 -1.740 3.485 1.866
357 1HB PRO 50 1HB PRO 50 -4.332 2.900 2.477
358 2HB PRO 50 2HB PRO 50 -3.360 4.067 3.419
359 1HG PRO 50 1HG PRO 50 -5.345 4.656 1.199
360 2HG PRO 50 2HG PRO 50 -5.266 5.427 2.802
361 1HD PRO 50 1HD PRO 50 -4.120 6.533 0.557
362 2HD PRO 50 2HD PRO 50 -3.342 6.698 2.176
363 H CYS 51 H CYS 51 -1.481 1.642 0.529
364 HA CYS 51 HA CYS 51 -3.558 0.975 -1.442
365 1HB CYS 51 1HB CYS 51 -2.762 2.342 -3.031
366 2HB CYS 51 2HB CYS 51 -1.345 2.738 -2.090
No H/Q in entry = 366
Start of MODEL 14
1 HA PCA 1 HA PYR 1 -0.064 2.507 7.253
2 1HB PCA 1 1HB PYR 1 -1.645 2.788 4.684
3 2HB PCA 1 2HB PYR 1 -2.132 1.971 6.201
4 1HG PCA 1 1HG PYR 1 -2.999 4.515 5.472
5 2HG PCA 1 2HG PYR 1 -2.742 4.053 7.184
6 HN PCA 1 HN PYR 1 0.952 4.817 6.390
7 H LYS 2 H LYS 2 -0.278 0.754 4.958
8 HA LYS 2 HA LYS 2 2.435 0.806 3.859
9 1HB LYS 2 1HB LYS 2 1.155 -1.311 4.348
10 2HB LYS 2 2HB LYS 2 0.057 -0.904 3.034
11 1HG LYS 2 1HG LYS 2 2.449 -0.680 1.688
12 2HG LYS 2 2HG LYS 2 2.970 -1.698 3.019
13 1HD LYS 2 1HD LYS 2 2.420 -3.302 1.485
14 2HD LYS 2 2HD LYS 2 0.882 -3.202 2.336
15 1HE LYS 2 1HE LYS 2 1.658 -1.826 -0.305
16 2HE LYS 2 2HE LYS 2 0.609 -3.243 -0.143
17 1HZ LYS 2 1HZ LYS 2 -0.961 -1.833 1.052
18 2HZ LYS 2 2HZ LYS 2 0.020 -0.532 0.844
19 3HZ LYS 2 3HZ LYS 2 -0.682 -1.240 -0.441
20 H LEU 3 H LEU 3 2.084 3.080 3.149
21 HA LEU 3 HA LEU 3 0.200 3.733 1.097
22 1HB LEU 3 1HB LEU 3 2.738 5.119 1.939
23 2HB LEU 3 2HB LEU 3 1.467 5.843 0.950
24 HG LEU 3 HG LEU 3 0.482 4.739 3.540
25 1HD1 LEU 3 1HD1 LEU 3 2.358 7.153 3.510
26 2HD1 LEU 3 2HD1 LEU 3 1.365 6.627 4.881
27 3HD1 LEU 3 3HD1 LEU 3 2.685 5.598 4.297
28 1HD2 LEU 3 2HD2 LEU 3 -0.876 6.077 1.975
29 2HD2 LEU 3 3HD2 LEU 3 -0.799 6.704 3.621
30 3HD2 LEU 3 1HD2 LEU 3 0.150 7.482 2.337
31 H CYS 4 H CYS 4 0.823 4.606 -1.066
32 HA CYS 4 HA CYS 4 3.306 3.441 -2.249
33 1HB CYS 4 1HB CYS 4 0.550 3.530 -3.543
34 2HB CYS 4 2HB CYS 4 2.067 3.302 -4.415
35 H GLU 5 H GLU 5 4.355 4.821 -3.625
36 HA GLU 5 HA GLU 5 3.865 7.664 -3.131
37 1HB GLU 5 1HB GLU 5 6.137 6.087 -4.413
38 2HB GLU 5 2HB GLU 5 6.125 7.842 -4.227
39 1HG GLU 5 1HG GLU 5 5.847 7.593 -1.783
40 2HG GLU 5 2HG GLU 5 5.950 5.830 -1.932
41 HE1 GLU 5 HE2 GLU 5 9.427 6.129 -2.985
42 H ARG 6 H ARG 6 2.496 8.692 -4.502
43 HA ARG 6 HA ARG 6 2.633 8.151 -7.422
44 1HB ARG 6 1HB ARG 6 0.328 8.219 -6.394
45 2HB ARG 6 2HB ARG 6 0.680 9.854 -5.841
46 1HG ARG 6 1HG ARG 6 -0.605 10.040 -7.841
47 2HG ARG 6 2HG ARG 6 1.027 10.565 -8.219
48 1HD ARG 6 1HD ARG 6 1.428 8.230 -9.204
49 2HD ARG 6 2HD ARG 6 -0.299 7.909 -8.925
50 HE ARG 6 HE ARG 6 -0.123 10.351 -10.313
51 1HH1 ARG 6 1HH1 ARG 6 0.624 6.982 -11.006
52 2HH1 ARG 6 2HH1 ARG 6 0.731 7.212 -12.728
53 1HH2 ARG 6 2HH2 ARG 6 0.149 10.729 -12.435
54 2HH2 ARG 6 1HH2 ARG 6 0.355 9.446 -13.609
55 HA PRO 7 HA PRO 7 4.963 12.094 -7.244
56 1HB PRO 7 1HB PRO 7 5.541 11.626 -10.131
57 2HB PRO 7 2HB PRO 7 6.657 11.860 -8.777
58 1HG PRO 7 1HG PRO 7 6.298 9.407 -9.996
59 2HG PRO 7 2HG PRO 7 6.680 9.587 -8.261
60 1HD PRO 7 1HD PRO 7 3.961 9.111 -9.508
61 2HD PRO 7 2HD PRO 7 4.737 8.340 -8.094
62 H SER 8 H SER 8 3.531 11.487 -10.568
63 HA SER 8 HA SER 8 2.342 14.134 -10.459
64 1HB SER 8 1HB SER 8 1.612 13.289 -12.808
65 2HB SER 8 2HB SER 8 3.337 13.536 -12.484
66 HG SER 8 HG SER 8 3.062 11.516 -13.438
67 H GLY 9 H GLY 9 0.970 13.690 -8.628
68 1HA GLY 9 1HA GLY 9 -1.618 12.311 -9.288
69 2HA GLY 9 2HA GLY 9 -1.153 13.027 -7.734
70 H THR 10 H THR 10 -1.487 15.230 -7.388
71 HA THR 10 HA THR 10 -2.827 16.854 -9.461
72 HB THR 10 HB THR 10 -2.667 18.549 -7.526
73 HG1 THR 10 HG1 THR 10 -2.060 17.823 -5.594
74 1HG2 THR 10 3HG2 THR 10 -4.210 15.947 -7.127
75 2HG2 THR 10 1HG2 THR 10 -4.513 17.462 -6.248
76 3HG2 THR 10 2HG2 THR 10 -4.751 17.388 -8.004
77 H TRP 11 H TRP 11 -0.146 17.399 -7.224
78 HA TRP 11 HA TRP 11 1.104 19.389 -8.816
79 1HB TRP 11 1HB TRP 11 1.148 19.002 -6.293
80 2HB TRP 11 2HB TRP 11 2.440 17.860 -6.575
81 HD1 TRP 11 HD1 TRP 11 4.279 19.501 -8.579
82 HE1 TRP 11 HE1 TRP 11 5.410 21.693 -7.898
83 HE3 TRP 11 HE3 TRP 11 1.318 20.722 -4.602
84 HZ2 TRP 11 HZ2 TRP 11 5.133 23.668 -5.811
85 HZ3 TRP 11 HZ3 TRP 11 1.751 22.768 -3.307
86 HH2 TRP 11 HH2 TRP 11 3.718 24.183 -3.833
87 H SER 12 H SER 12 1.157 18.080 -10.824
88 HA SER 12 HA SER 12 3.272 16.068 -11.082
89 1HB SER 12 1HB SER 12 1.464 17.375 -13.161
90 2HB SER 12 2HB SER 12 2.415 15.896 -13.362
91 HG SER 12 HG SER 12 0.243 16.341 -11.547
92 H GLY 13 H GLY 13 4.814 17.884 -10.195
93 1HA GLY 13 1HA GLY 13 6.566 18.620 -12.319
94 2HA GLY 13 2HA GLY 13 5.599 20.033 -11.852
95 H VAL 14 H VAL 14 7.924 20.697 -11.427
96 HA VAL 14 HA VAL 14 9.311 19.793 -9.085
97 HB VAL 14 HB VAL 14 9.409 22.509 -10.457
98 1HG1 VAL 14 2HG1 VAL 14 10.569 22.519 -8.274
99 2HG1 VAL 14 3HG1 VAL 14 11.539 21.122 -8.797
100 3HG1 VAL 14 1HG1 VAL 14 11.694 22.680 -9.620
101 1HG2 VAL 14 3HG2 VAL 14 11.022 19.974 -11.026
102 2HG2 VAL 14 1HG2 VAL 14 9.881 20.754 -12.142
103 3HG2 VAL 14 2HG2 VAL 14 11.379 21.574 -11.709
104 H CYS 15 H CYS 15 9.320 20.806 -7.008
105 HA CYS 15 HA CYS 15 7.015 22.612 -6.391
106 1HB CYS 15 1HB CYS 15 6.599 21.317 -4.369
107 2HB CYS 15 2HB CYS 15 6.411 20.276 -5.755
108 H GLY 16 H GLY 16 10.070 21.296 -5.082
109 1HA GLY 16 1HA GLY 16 11.607 22.258 -3.586
110 2HA GLY 16 2HA GLY 16 10.874 23.828 -3.898
111 H ASN 17 H ASN 17 8.525 23.913 -2.957
112 HA ASN 17 HA ASN 17 9.009 23.883 -0.110
113 1HB ASN 17 1HB ASN 17 7.922 25.762 -1.328
114 2HB ASN 17 2HB ASN 17 6.478 24.766 -1.522
115 1HD2 ASN 17 2HD2 ASN 17 7.479 26.374 2.155
116 2HD2 ASN 17 1HD2 ASN 17 8.624 26.396 0.831
117 H ASN 18 H ASN 18 9.156 21.693 0.290
118 HA ASN 18 HA ASN 18 7.590 19.548 0.227
119 1HB ASN 18 1HB ASN 18 9.645 20.033 1.691
120 2HB ASN 18 2HB ASN 18 8.539 20.602 2.934
121 1HD2 ASN 18 1HD2 ASN 18 9.108 16.619 2.284
122 2HD2 ASN 18 2HD2 ASN 18 10.086 17.881 1.570
123 H ASN 19 H ASN 19 6.981 22.005 2.580
124 HA ASN 19 HA ASN 19 4.561 21.274 3.766
125 1HB ASN 19 1HB ASN 19 5.584 23.060 4.781
126 2HB ASN 19 2HB ASN 19 5.982 23.870 3.271
127 1HD2 ASN 19 2HD2 ASN 19 3.017 25.774 3.096
128 2HD2 ASN 19 1HD2 ASN 19 4.468 25.241 2.246
129 H ALA 20 H ALA 20 4.931 23.311 0.802
130 HA ALA 20 HA ALA 20 2.078 23.624 0.512
131 1HB ALA 20 3HB ALA 20 3.646 25.242 -0.474
132 2HB ALA 20 1HB ALA 20 4.271 23.978 -1.563
133 3HB ALA 20 2HB ALA 20 2.588 24.529 -1.699
134 H CYS 21 H CYS 21 4.523 21.557 -1.088
135 HA CYS 21 HA CYS 21 2.861 20.143 -2.852
136 1HB CYS 21 1HB CYS 21 5.106 19.645 -3.100
137 2HB CYS 21 2HB CYS 21 5.369 19.480 -1.356
138 H LYS 22 H LYS 22 3.752 19.289 0.460
139 HA LYS 22 HA LYS 22 2.155 17.054 0.895
140 1HB LYS 22 1HB LYS 22 3.932 17.903 2.361
141 2HB LYS 22 2HB LYS 22 2.988 19.326 2.771
142 1HG LYS 22 1HG LYS 22 1.248 17.880 3.829
143 2HG LYS 22 2HG LYS 22 2.250 16.487 3.521
144 1HD LYS 22 1HD LYS 22 2.540 18.782 5.449
145 2HD LYS 22 2HD LYS 22 2.783 17.071 5.768
146 1HE LYS 22 1HE LYS 22 4.697 19.006 4.344
147 2HE LYS 22 2HE LYS 22 4.874 18.385 5.979
148 1HZ LYS 22 1HZ LYS 22 4.887 16.657 3.598
149 2HZ LYS 22 2HZ LYS 22 6.234 17.312 4.241
150 3HZ LYS 22 3HZ LYS 22 5.328 16.243 5.123
151 H ASN 23 H ASN 23 1.376 20.411 1.891
152 HA ASN 23 HA ASN 23 -1.159 19.819 2.842
153 1HB ASN 23 1HB ASN 23 -0.024 21.917 3.332
154 2HB ASN 23 2HB ASN 23 -0.052 22.403 1.635
155 1HD2 ASN 23 2HD2 ASN 23 -2.683 24.321 3.412
156 2HD2 ASN 23 1HD2 ASN 23 -0.941 24.151 3.535
157 H GLN 24 H GLN 24 -0.333 21.323 -0.340
158 HA GLN 24 HA GLN 24 -2.926 21.358 -1.389
159 1HB GLN 24 1HB GLN 24 -0.954 22.528 -2.317
160 2HB GLN 24 2HB GLN 24 -0.287 20.993 -2.888
161 1HG GLN 24 1HG GLN 24 -3.096 21.699 -3.731
162 2HG GLN 24 2HG GLN 24 -1.796 22.672 -4.399
163 1HE2 GLN 24 2HE2 GLN 24 -0.622 20.255 -6.659
164 2HE2 GLN 24 1HE2 GLN 24 -0.359 21.811 -5.893
165 H CYS 25 H CYS 25 -0.461 18.698 -1.653
166 HA CYS 25 HA CYS 25 -2.104 17.053 -3.236
167 1HB CYS 25 1HB CYS 25 0.289 16.517 -2.733
168 2HB CYS 25 2HB CYS 25 -0.188 16.065 -1.095
169 H ILE 26 H ILE 26 -1.752 16.912 0.379
170 HA ILE 26 HA ILE 26 -3.799 14.867 0.536
171 HB ILE 26 HB ILE 26 -3.507 14.925 2.884
172 1HG1 ILE 26 1HG1 ILE 26 -2.108 17.602 2.566
173 2HG1 ILE 26 2HG1 ILE 26 -3.642 17.286 3.375
174 1HG2 ILE 26 2HG2 ILE 26 -1.668 13.988 1.438
175 2HG2 ILE 26 3HG2 ILE 26 -0.762 15.486 1.686
176 3HG2 ILE 26 1HG2 ILE 26 -1.161 14.454 3.062
177 1HD1 ILE 26 3HD1 ILE 26 -2.432 15.830 5.021
178 2HD1 ILE 26 1HD1 ILE 26 -0.897 16.361 4.289
179 3HD1 ILE 26 2HD1 ILE 26 -1.967 17.543 5.056
180 H ASN 27 H ASN 27 -3.945 18.288 0.340
181 HA ASN 27 HA ASN 27 -6.533 18.615 1.634
182 1HB ASN 27 1HB ASN 27 -4.723 20.233 1.659
183 2HB ASN 27 2HB ASN 27 -4.829 20.454 -0.104
184 1HD2 ASN 27 2HD2 ASN 27 -6.545 23.204 1.764
185 2HD2 ASN 27 1HD2 ASN 27 -4.932 22.478 1.825
186 H LEU 28 H LEU 28 -5.321 18.984 -1.759
187 HA LEU 28 HA LEU 28 -7.987 19.074 -2.863
188 1HB LEU 28 1HB LEU 28 -5.185 19.023 -4.014
189 2HB LEU 28 2HB LEU 28 -6.577 18.720 -5.043
190 HG LEU 28 HG LEU 28 -7.603 20.846 -4.453
191 1HD1 LEU 28 3HD1 LEU 28 -5.135 21.277 -2.719
192 2HD1 LEU 28 1HD1 LEU 28 -6.234 22.574 -3.230
193 3HD1 LEU 28 2HD1 LEU 28 -6.833 21.273 -2.201
194 1HD2 LEU 28 2HD2 LEU 28 -6.107 20.705 -6.386
195 2HD2 LEU 28 3HD2 LEU 28 -5.975 22.296 -5.619
196 3HD2 LEU 28 1HD2 LEU 28 -4.707 21.078 -5.364
197 H GLU 29 H GLU 29 -5.400 16.527 -3.010
198 HA GLU 29 HA GLU 29 -7.569 14.573 -3.686
199 1HB GLU 29 1HB GLU 29 -5.811 12.980 -4.277
200 2HB GLU 29 2HB GLU 29 -5.953 14.383 -5.327
201 1HG GLU 29 1HG GLU 29 -3.948 15.388 -4.131
202 2HG GLU 29 2HG GLU 29 -3.724 13.777 -3.379
203 HE2 GLU 29 HE2 GLU 29 -2.185 15.404 -5.475
204 H LYS 30 H LYS 30 -6.991 12.392 -2.335
205 HA LYS 30 HA LYS 30 -7.028 13.423 0.472
206 1HB LYS 30 1HB LYS 30 -8.518 11.125 -0.761
207 2HB LYS 30 2HB LYS 30 -8.619 11.604 0.939
208 1HG LYS 30 1HG LYS 30 -9.259 13.630 -1.268
209 2HG LYS 30 2HG LYS 30 -10.408 12.408 -0.795
210 1HD LYS 30 1HD LYS 30 -10.882 14.516 0.302
211 2HD LYS 30 2HD LYS 30 -10.605 13.192 1.423
212 1HE LYS 30 1HE LYS 30 -9.681 15.277 2.282
213 2HE LYS 30 2HE LYS 30 -8.424 14.072 2.048
214 1HZ LYS 30 3HZ LYS 30 -7.902 15.273 -0.073
215 2HZ LYS 30 1HZ LYS 30 -8.889 16.499 0.361
216 3HZ LYS 30 2HZ LYS 30 -7.597 16.093 1.261
217 H ALA 31 H ALA 31 -4.758 12.287 -1.207
218 HA ALA 31 HA ALA 31 -3.482 10.117 -0.102
219 1HB ALA 31 1HB ALA 31 -2.626 11.730 -1.824
220 2HB ALA 31 2HB ALA 31 -2.388 12.926 -0.545
221 3HB ALA 31 3HB ALA 31 -1.443 11.420 -0.521
222 H ARG 32 H ARG 32 -1.798 10.013 1.633
223 HA ARG 32 HA ARG 32 -2.907 11.319 4.099
224 1HB ARG 32 1HB ARG 32 -1.123 8.910 3.870
225 2HB ARG 32 2HB ARG 32 -1.902 9.509 5.329
226 1HG ARG 32 1HG ARG 32 -3.369 8.401 2.889
227 2HG ARG 32 2HG ARG 32 -2.998 7.518 4.364
228 1HD ARG 32 1HD ARG 32 -5.270 8.143 4.539
229 2HD ARG 32 2HD ARG 32 -4.338 9.135 5.670
230 HE ARG 32 HE ARG 32 -5.101 10.196 2.942
231 1HH1 ARG 32 2HH1 ARG 32 -5.938 10.251 6.357
232 2HH1 ARG 32 1HH1 ARG 32 -6.381 11.930 6.373
233 1HH2 ARG 32 1HH2 ARG 32 -5.412 12.395 2.977
234 2HH2 ARG 32 2HH2 ARG 32 -6.159 13.198 4.342
235 H HIS 33 H HIS 33 0.287 10.549 2.633
236 HA HIS 33 HA HIS 33 1.346 12.934 4.105
237 1HB HIS 33 2HB HIS 33 3.124 10.758 3.040
238 2HB HIS 33 1HB HIS 33 3.510 12.065 4.144
239 HD1 HIS 33 HD1 HIS 33 0.677 11.064 5.836
240 HD2 HIS 33 HD2 HIS 33 4.285 9.105 5.013
241 HE1 HIS 33 HE1 HIS 33 0.822 9.082 7.420
242 H GLY 34 H GLY 34 3.053 14.077 2.857
243 1HA GLY 34 1HA GLY 34 3.465 13.522 0.127
244 2HA GLY 34 2HA GLY 34 2.460 14.977 0.283
245 H SER 35 H SER 35 5.292 14.737 -0.668
246 HA SER 35 HA SER 35 6.696 16.554 1.163
247 1HB SER 35 1HB SER 35 6.862 14.209 2.241
248 2HB SER 35 2HB SER 35 7.600 13.631 0.746
249 HG SER 35 HG SER 35 9.189 14.150 2.231
250 H CYS 36 H CYS 36 8.323 17.572 0.086
251 HA CYS 36 HA CYS 36 8.578 17.127 -2.815
252 1HB CYS 36 1HB CYS 36 9.497 19.353 -0.995
253 2HB CYS 36 2HB CYS 36 10.153 19.133 -2.598
254 H ASN 37 H ASN 37 9.491 15.026 -2.586
255 HA ASN 37 HA ASN 37 12.054 14.413 -1.474
256 1HB ASN 37 1HB ASN 37 10.667 12.636 -2.380
257 2HB ASN 37 2HB ASN 37 10.577 13.470 -3.950
258 1HD2 ASN 37 2HD2 ASN 37 14.190 11.693 -3.054
259 2HD2 ASN 37 1HD2 ASN 37 13.240 12.361 -1.739
260 H TYR 38 H TYR 38 14.154 14.477 -2.463
261 HA TYR 38 HA TYR 38 14.510 16.646 -4.400
262 1HB TYR 38 1HB TYR 38 16.074 16.600 -2.562
263 2HB TYR 38 2HB TYR 38 16.576 14.963 -2.964
264 HD1 TYR 38 HD1 TYR 38 16.105 18.252 -4.816
265 HD2 TYR 38 HD2 TYR 38 18.726 14.918 -4.026
266 HE1 TYR 38 HE1 TYR 38 17.463 18.839 -6.793
267 HE2 TYR 38 HE2 TYR 38 20.009 15.457 -6.077
268 HH TYR 38 HH TYR 38 18.931 17.993 -8.357
269 H VAL 39 H VAL 39 16.742 14.095 -4.830
270 HA VAL 39 HA VAL 39 17.359 12.922 -6.610
271 HB VAL 39 HB VAL 39 14.371 12.576 -7.145
272 1HG1 VAL 39 1HG1 VAL 39 16.761 11.116 -8.335
273 2HG1 VAL 39 2HG1 VAL 39 15.072 10.585 -8.448
274 3HG1 VAL 39 3HG1 VAL 39 15.561 12.094 -9.215
275 1HG2 VAL 39 1HG2 VAL 39 15.189 11.676 -4.956
276 2HG2 VAL 39 2HG2 VAL 39 14.705 10.398 -6.075
277 3HG2 VAL 39 3HG2 VAL 39 16.427 10.750 -5.823
278 H PHE 40 H PHE 40 17.877 13.188 -8.856
279 HA PHE 40 HA PHE 40 18.011 15.820 -9.727
280 1HB PHE 40 1HB PHE 40 19.487 14.169 -10.574
281 2HB PHE 40 2HB PHE 40 18.166 13.181 -11.210
282 HD1 PHE 40 HD1 PHE 40 16.973 13.832 -13.300
283 HD2 PHE 40 HD2 PHE 40 20.486 15.920 -11.894
284 HE1 PHE 40 HE1 PHE 40 17.238 14.897 -15.519
285 HE2 PHE 40 HE2 PHE 40 20.746 16.965 -14.123
286 HZ PHE 40 HZ PHE 40 19.117 16.469 -15.935
287 HA PRO 41 HA PRO 41 17.982 17.162 -11.437
288 1HB PRO 41 1HB PRO 41 16.837 19.345 -12.562
289 2HB PRO 41 2HB PRO 41 17.180 17.864 -13.496
290 1HG PRO 41 1HG PRO 41 14.527 18.741 -12.342
291 2HG PRO 41 2HG PRO 41 14.867 18.064 -13.953
292 1HD PRO 41 1HD PRO 41 13.952 16.535 -11.814
293 2HD PRO 41 2HD PRO 41 14.957 15.878 -13.131
294 H ALA 42 H ALA 42 14.723 18.145 -10.326
295 HA ALA 42 HA ALA 42 15.873 19.741 -8.091
296 1HB ALA 42 1HB ALA 42 15.274 21.230 -9.960
297 2HB ALA 42 2HB ALA 42 13.639 20.540 -9.995
298 3HB ALA 42 3HB ALA 42 14.187 21.468 -8.581
299 H HIS 43 H HIS 43 13.979 20.368 -6.598
300 HA HIS 43 HA HIS 43 13.024 17.991 -5.429
301 1HB HIS 43 2HB HIS 43 12.553 20.904 -5.040
302 2HB HIS 43 1HB HIS 43 11.534 19.794 -4.150
303 HD1 HIS 43 HD1 HIS 43 12.642 18.232 -2.322
304 HD2 HIS 43 HD2 HIS 43 15.245 21.026 -4.078
305 HE1 HIS 43 HE1 HIS 43 14.743 18.295 -0.919
306 H LYS 44 H LYS 44 11.230 16.895 -5.611
307 HA LYS 44 HA LYS 44 9.095 17.769 -7.523
308 1HB LYS 44 1HB LYS 44 9.106 15.479 -8.430
309 2HB LYS 44 2HB LYS 44 10.636 16.333 -8.684
310 1HG LYS 44 1HG LYS 44 11.570 15.098 -6.649
311 2HG LYS 44 2HG LYS 44 10.063 14.209 -6.562
312 1HD LYS 44 1HD LYS 44 11.786 12.898 -7.641
313 2HD LYS 44 2HD LYS 44 10.430 13.191 -8.731
314 1HE LYS 44 1HE LYS 44 12.706 13.348 -9.788
315 2HE LYS 44 2HE LYS 44 11.699 14.774 -10.048
316 1HZ LYS 44 2HZ LYS 44 13.674 14.673 -7.856
317 2HZ LYS 44 3HZ LYS 44 14.104 15.094 -9.359
318 3HZ LYS 44 1HZ LYS 44 13.012 15.994 -8.520
319 H CYS 45 H CYS 45 7.013 17.252 -6.926
320 HA CYS 45 HA CYS 45 6.680 16.684 -4.104
321 1HB CYS 45 1HB CYS 45 5.303 18.344 -5.271
322 2HB CYS 45 2HB CYS 45 4.634 17.078 -6.306
323 H ILE 46 H ILE 46 6.911 14.603 -3.396
324 HA ILE 46 HA ILE 46 5.634 12.387 -4.959
325 HB ILE 46 HB ILE 46 7.539 12.377 -2.587
326 1HG1 ILE 46 1HG1 ILE 46 8.596 12.821 -4.799
327 2HG1 ILE 46 2HG1 ILE 46 9.137 11.328 -4.023
328 1HG2 ILE 46 1HG2 ILE 46 6.035 10.103 -3.931
329 2HG2 ILE 46 2HG2 ILE 46 7.456 9.863 -2.880
330 3HG2 ILE 46 3HG2 ILE 46 5.979 10.577 -2.233
331 1HD1 ILE 46 2HD1 ILE 46 7.702 10.004 -5.550
332 2HD1 ILE 46 3HD1 ILE 46 7.153 11.507 -6.329
333 3HD1 ILE 46 1HD1 ILE 46 8.850 11.024 -6.425
334 H CYS 47 H CYS 47 3.677 11.649 -4.253
335 HA CYS 47 HA CYS 47 2.811 12.513 -1.542
336 1HB CYS 47 1HB CYS 47 1.833 13.857 -3.420
337 2HB CYS 47 2HB CYS 47 0.996 12.376 -3.933
338 H TYR 48 H TYR 48 1.620 11.076 -0.321
339 HA TYR 48 HA TYR 48 2.145 8.254 -1.134
340 1HB TYR 48 1HB TYR 48 1.923 9.592 1.565
341 2HB TYR 48 2HB TYR 48 2.212 7.887 1.294
342 HD1 TYR 48 HD1 TYR 48 3.713 11.268 0.623
343 HD2 TYR 48 HD2 TYR 48 4.401 7.034 1.065
344 HE1 TYR 48 HE1 TYR 48 6.136 11.631 0.319
345 HE2 TYR 48 HE2 TYR 48 6.832 7.416 0.831
346 HH TYR 48 HH TYR 48 8.331 8.952 -0.219
347 H PHE 49 H PHE 49 0.321 7.186 -1.822
348 HA PHE 49 HA PHE 49 -2.289 7.978 -0.668
349 1HB PHE 49 1HB PHE 49 -1.854 6.172 -3.017
350 2HB PHE 49 2HB PHE 49 -3.308 6.954 -2.525
351 HD1 PHE 49 HD2 PHE 49 -1.380 9.719 -2.145
352 HD2 PHE 49 HD1 PHE 49 -2.803 7.080 -5.250
353 HE1 PHE 49 HE2 PHE 49 -1.229 11.550 -3.770
354 HE2 PHE 49 HE1 PHE 49 -2.783 8.979 -6.840
355 HZ PHE 49 HZ PHE 49 -1.934 11.210 -6.097
356 HA PRO 50 HA PRO 50 -2.280 4.087 1.557
357 1HB PRO 50 1HB PRO 50 -4.862 3.877 2.261
358 2HB PRO 50 2HB PRO 50 -3.832 5.228 2.824
359 1HG PRO 50 1HG PRO 50 -5.759 5.255 0.466
360 2HG PRO 50 2HG PRO 50 -5.682 6.429 1.812
361 1HD PRO 50 1HD PRO 50 -4.360 6.847 -0.598
362 2HD PRO 50 2HD PRO 50 -3.675 7.372 0.982
363 H CYS 51 H CYS 51 -1.670 3.191 -0.568
364 HA CYS 51 HA CYS 51 -3.563 1.970 -2.340
365 1HB CYS 51 1HB CYS 51 -1.597 0.932 -3.373
366 2HB CYS 51 2HB CYS 51 -1.353 2.616 -2.990
No H/Q in entry = 366
Start of MODEL 15
1 HA PCA 1 HA PYR 1 -0.033 -2.692 3.469
2 1HB PCA 1 1HB PYR 1 2.757 -3.830 3.634
3 2HB PCA 1 2HB PYR 1 1.374 -4.102 4.731
4 1HG PCA 1 1HG PYR 1 2.173 -5.905 2.740
5 2HG PCA 1 2HG PYR 1 0.475 -5.756 3.286
6 HN PCA 1 HN PYR 1 0.406 -2.749 0.870
7 H LYS 2 H LYS 2 2.912 -2.290 1.508
8 HA LYS 2 HA LYS 2 3.857 0.110 2.801
9 1HB LYS 2 1HB LYS 2 5.208 -1.406 1.270
10 2HB LYS 2 2HB LYS 2 4.243 -0.782 -0.079
11 1HG LYS 2 1HG LYS 2 5.090 1.572 0.580
12 2HG LYS 2 2HG LYS 2 6.088 0.780 1.786
13 1HD LYS 2 1HD LYS 2 7.403 1.312 -0.192
14 2HD LYS 2 2HD LYS 2 7.330 -0.429 0.071
15 1HE LYS 2 1HE LYS 2 7.136 0.179 -2.323
16 2HE LYS 2 2HE LYS 2 5.736 -0.722 -1.749
17 1HZ LYS 2 2HZ LYS 2 4.558 1.422 -1.567
18 2HZ LYS 2 3HZ LYS 2 5.840 2.217 -2.167
19 3HZ LYS 2 1HZ LYS 2 5.062 1.119 -3.096
20 H LEU 3 H LEU 3 3.321 2.254 2.340
21 HA LEU 3 HA LEU 3 0.902 3.043 1.084
22 1HB LEU 3 1HB LEU 3 3.525 4.500 1.363
23 2HB LEU 3 2HB LEU 3 2.013 5.295 0.959
24 HG LEU 3 HG LEU 3 2.052 3.662 3.504
25 1HD1 LEU 3 1HD1 LEU 3 3.382 6.381 3.219
26 2HD1 LEU 3 2HD1 LEU 3 3.013 5.567 4.753
27 3HD1 LEU 3 3HD1 LEU 3 4.188 4.859 3.630
28 1HD2 LEU 3 2HD2 LEU 3 0.009 4.826 2.648
29 2HD2 LEU 3 3HD2 LEU 3 0.533 5.413 4.237
30 3HD2 LEU 3 1HD2 LEU 3 0.872 6.376 2.785
31 H CYS 4 H CYS 4 0.613 4.080 -1.007
32 HA CYS 4 HA CYS 4 2.594 3.235 -3.119
33 1HB CYS 4 1HB CYS 4 -0.349 3.626 -3.136
34 2HB CYS 4 2HB CYS 4 0.570 4.037 -4.596
35 H GLU 5 H GLU 5 4.095 4.769 -3.090
36 HA GLU 5 HA GLU 5 3.590 7.538 -2.463
37 1HB GLU 5 1HB GLU 5 6.017 6.189 -3.751
38 2HB GLU 5 2HB GLU 5 5.921 7.817 -3.080
39 1HG GLU 5 1HG GLU 5 6.898 6.663 -1.335
40 2HG GLU 5 2HG GLU 5 5.189 6.685 -0.865
41 HE2 GLU 5 HE2 GLU 5 6.517 5.001 0.411
42 H ARG 6 H ARG 6 2.346 8.720 -3.881
43 HA ARG 6 HA ARG 6 2.390 8.088 -6.764
44 1HB ARG 6 1HB ARG 6 0.747 9.969 -5.056
45 2HB ARG 6 2HB ARG 6 0.883 10.243 -6.785
46 1HG ARG 6 1HG ARG 6 -1.100 9.000 -6.379
47 2HG ARG 6 2HG ARG 6 0.033 7.996 -7.296
48 1HD ARG 6 1HD ARG 6 0.588 6.691 -5.347
49 2HD ARG 6 2HD ARG 6 -0.162 7.901 -4.280
50 HE ARG 6 HE ARG 6 -2.007 6.682 -6.198
51 1HH1 ARG 6 2HH2 ARG 6 -0.479 6.314 -3.021
52 2HH1 ARG 6 1HH2 ARG 6 -1.866 5.562 -2.286
53 1HH2 ARG 6 1HH1 ARG 6 -3.853 5.552 -5.200
54 2HH2 ARG 6 2HH1 ARG 6 -3.720 5.055 -3.543
55 HA PRO 7 HA PRO 7 5.415 11.450 -7.287
56 1HB PRO 7 1HB PRO 7 5.562 11.512 -10.002
57 2HB PRO 7 2HB PRO 7 6.204 10.121 -9.084
58 1HG PRO 7 1HG PRO 7 3.488 10.353 -10.415
59 2HG PRO 7 2HG PRO 7 4.676 9.029 -10.587
60 1HD PRO 7 1HD PRO 7 2.575 8.943 -8.827
61 2HD PRO 7 2HD PRO 7 4.147 8.167 -8.450
62 H SER 8 H SER 8 5.184 13.564 -8.906
63 HA SER 8 HA SER 8 2.859 14.799 -7.859
64 1HB SER 8 1HB SER 8 4.678 16.007 -9.962
65 2HB SER 8 2HB SER 8 3.876 16.731 -8.546
66 HG SER 8 HG SER 8 5.205 15.185 -7.312
67 H GLY 9 H GLY 9 1.258 13.393 -8.821
68 1HA GLY 9 1HA GLY 9 0.590 13.453 -11.612
69 2HA GLY 9 2HA GLY 9 -0.435 12.881 -10.286
70 H THR 10 H THR 10 -0.392 15.453 -8.821
71 HA THR 10 HA THR 10 -2.386 16.989 -10.352
72 HB THR 10 HB THR 10 -2.271 18.297 -8.130
73 HG1 THR 10 HG1 THR 10 -1.167 17.335 -6.490
74 1HG2 THR 10 2HG2 THR 10 -2.930 15.323 -7.907
75 2HG2 THR 10 3HG2 THR 10 -3.468 16.605 -6.804
76 3HG2 THR 10 1HG2 THR 10 -4.035 16.593 -8.485
77 H TRP 11 H TRP 11 0.427 17.757 -8.388
78 HA TRP 11 HA TRP 11 1.068 20.183 -9.829
79 1HB TRP 11 1HB TRP 11 1.280 19.685 -7.367
80 2HB TRP 11 2HB TRP 11 2.699 18.715 -7.716
81 HD1 TRP 11 HD1 TRP 11 4.123 20.877 -9.739
82 HE1 TRP 11 HE1 TRP 11 5.218 22.942 -8.687
83 HE3 TRP 11 HE3 TRP 11 1.617 20.951 -5.289
84 HZ2 TRP 11 HZ2 TRP 11 4.933 24.509 -6.309
85 HZ3 TRP 11 HZ3 TRP 11 2.042 22.755 -3.647
86 HH2 TRP 11 HH2 TRP 11 3.793 24.440 -4.093
87 H SER 12 H SER 12 1.211 18.782 -11.957
88 HA SER 12 HA SER 12 3.695 17.265 -12.231
89 1HB SER 12 1HB SER 12 1.702 18.126 -14.354
90 2HB SER 12 2HB SER 12 2.935 16.855 -14.480
91 HG SER 12 HG SER 12 1.834 15.965 -12.505
92 H GLY 13 H GLY 13 4.866 19.173 -11.387
93 1HA GLY 13 1HA GLY 13 6.510 20.377 -13.390
94 2HA GLY 13 2HA GLY 13 5.453 21.577 -12.596
95 H VAL 14 H VAL 14 7.925 22.126 -11.897
96 HA VAL 14 HA VAL 14 9.092 20.454 -9.875
97 HB VAL 14 HB VAL 14 9.516 23.422 -10.383
98 1HG1 VAL 14 3HG1 VAL 14 11.188 21.336 -8.927
99 2HG1 VAL 14 1HG1 VAL 14 11.779 22.947 -9.386
100 3HG1 VAL 14 2HG1 VAL 14 10.450 22.798 -8.238
101 1HG2 VAL 14 1HG2 VAL 14 10.918 20.972 -11.549
102 2HG2 VAL 14 2HG2 VAL 14 9.972 22.171 -12.452
103 3HG2 VAL 14 3HG2 VAL 14 11.503 22.641 -11.713
104 H CYS 15 H CYS 15 8.776 20.418 -7.691
105 HA CYS 15 HA CYS 15 6.293 21.469 -6.702
106 1HB CYS 15 1HB CYS 15 6.572 20.154 -4.907
107 2HB CYS 15 2HB CYS 15 7.694 19.328 -5.998
108 H GLY 16 H GLY 16 9.650 22.486 -6.371
109 1HA GLY 16 1HA GLY 16 10.600 24.367 -5.437
110 2HA GLY 16 2HA GLY 16 8.995 25.033 -5.116
111 H ASN 17 H ASN 17 7.754 23.586 -3.363
112 HA ASN 17 HA ASN 17 9.593 23.326 -1.010
113 1HB ASN 17 1HB ASN 17 8.737 25.592 -1.060
114 2HB ASN 17 2HB ASN 17 7.081 24.999 -1.261
115 1HD2 ASN 17 2HD2 ASN 17 8.855 24.835 2.455
116 2HD2 ASN 17 1HD2 ASN 17 9.847 25.086 1.034
117 H ASN 18 H ASN 18 9.186 21.850 0.451
118 HA ASN 18 HA ASN 18 7.525 19.656 0.213
119 1HB ASN 18 1HB ASN 18 9.556 19.973 1.670
120 2HB ASN 18 2HB ASN 18 8.564 20.863 2.808
121 1HD2 ASN 18 2HD2 ASN 18 8.171 16.814 2.553
122 2HD2 ASN 18 1HD2 ASN 18 9.181 17.618 1.351
123 H ASN 19 H ASN 19 7.044 22.224 2.541
124 HA ASN 19 HA ASN 19 4.562 21.447 3.532
125 1HB ASN 19 1HB ASN 19 6.127 23.314 4.352
126 2HB ASN 19 2HB ASN 19 5.225 24.381 3.270
127 1HD2 ASN 19 2HD2 ASN 19 2.150 23.486 5.381
128 2HD2 ASN 19 1HD2 ASN 19 2.522 23.048 3.725
129 H ALA 20 H ALA 20 5.162 23.634 0.747
130 HA ALA 20 HA ALA 20 2.406 24.165 0.211
131 1HB ALA 20 3HB ALA 20 4.290 25.442 -0.798
132 2HB ALA 20 1HB ALA 20 4.687 24.027 -1.807
133 3HB ALA 20 2HB ALA 20 3.115 24.842 -1.987
134 H CYS 21 H CYS 21 4.653 21.781 -1.302
135 HA CYS 21 HA CYS 21 2.860 20.456 -2.958
136 1HB CYS 21 1HB CYS 21 5.089 19.807 -3.157
137 2HB CYS 21 2HB CYS 21 5.298 19.581 -1.419
138 H LYS 22 H LYS 22 3.679 19.698 0.394
139 HA LYS 22 HA LYS 22 2.079 17.508 0.991
140 1HB LYS 22 1HB LYS 22 3.825 18.350 2.405
141 2HB LYS 22 2HB LYS 22 3.011 19.890 2.640
142 1HG LYS 22 1HG LYS 22 1.184 18.800 3.889
143 2HG LYS 22 2HG LYS 22 1.977 17.258 3.727
144 1HD LYS 22 1HD LYS 22 2.659 19.694 5.363
145 2HD LYS 22 2HD LYS 22 2.626 18.018 5.887
146 1HE LYS 22 1HE LYS 22 4.800 19.415 4.239
147 2HE LYS 22 2HE LYS 22 4.912 18.984 5.937
148 1HZ LYS 22 3HZ LYS 22 4.570 16.991 3.803
149 2HZ LYS 22 1HZ LYS 22 6.036 17.490 4.296
150 3HZ LYS 22 2HZ LYS 22 5.023 16.713 5.346
151 H ASN 23 H ASN 23 1.326 20.944 1.677
152 HA ASN 23 HA ASN 23 -1.295 20.554 2.556
153 1HB ASN 23 1HB ASN 23 -0.078 22.665 2.810
154 2HB ASN 23 2HB ASN 23 -0.063 22.934 1.067
155 1HD2 ASN 23 2HD2 ASN 23 -2.836 24.867 2.876
156 2HD2 ASN 23 1HD2 ASN 23 -1.157 24.601 3.307
157 H GLN 24 H GLN 24 -0.202 21.574 -0.717
158 HA GLN 24 HA GLN 24 -2.632 21.477 -2.056
159 1HB GLN 24 1HB GLN 24 -0.756 22.412 -3.097
160 2HB GLN 24 2HB GLN 24 0.232 20.979 -2.921
161 1HG GLN 24 1HG GLN 24 -2.268 21.118 -4.670
162 2HG GLN 24 2HG GLN 24 -0.662 21.518 -5.264
163 1HE2 GLN 24 2HE2 GLN 24 0.377 17.916 -4.650
164 2HE2 GLN 24 1HE2 GLN 24 0.801 19.393 -3.819
165 H CYS 25 H CYS 25 -0.414 18.637 -1.576
166 HA CYS 25 HA CYS 25 -2.048 16.912 -3.111
167 1HB CYS 25 1HB CYS 25 0.223 16.272 -2.410
168 2HB CYS 25 2HB CYS 25 -0.327 16.116 -0.733
169 H ILE 26 H ILE 26 -1.999 17.376 0.478
170 HA ILE 26 HA ILE 26 -4.203 15.487 0.768
171 HB ILE 26 HB ILE 26 -4.017 15.830 3.092
172 1HG1 ILE 26 1HG1 ILE 26 -2.397 18.341 2.507
173 2HG1 ILE 26 2HG1 ILE 26 -3.993 18.253 3.263
174 1HG2 ILE 26 2HG2 ILE 26 -2.156 14.635 1.839
175 2HG2 ILE 26 3HG2 ILE 26 -1.182 16.104 1.999
176 3HG2 ILE 26 1HG2 ILE 26 -1.717 15.241 3.438
177 1HD1 ILE 26 3HD1 ILE 26 -2.963 16.926 5.144
178 2HD1 ILE 26 1HD1 ILE 26 -1.366 17.264 4.433
179 3HD1 ILE 26 2HD1 ILE 26 -2.381 18.598 4.997
180 H ASN 27 H ASN 27 -4.013 18.832 0.070
181 HA ASN 27 HA ASN 27 -6.647 19.582 1.064
182 1HB ASN 27 1HB ASN 27 -4.716 21.048 1.023
183 2HB ASN 27 2HB ASN 27 -4.637 20.976 -0.754
184 1HD2 ASN 27 2HD2 ASN 27 -6.252 24.139 0.359
185 2HD2 ASN 27 1HD2 ASN 27 -4.712 23.329 0.683
186 H LEU 28 H LEU 28 -5.140 19.226 -2.204
187 HA LEU 28 HA LEU 28 -7.671 19.370 -3.594
188 1HB LEU 28 1HB LEU 28 -4.804 18.758 -4.386
189 2HB LEU 28 2HB LEU 28 -6.126 18.376 -5.476
190 HG LEU 28 HG LEU 28 -6.926 20.688 -5.457
191 1HD1 LEU 28 2HD1 LEU 28 -4.489 21.254 -3.716
192 2HD1 LEU 28 3HD1 LEU 28 -5.456 22.490 -4.542
193 3HD1 LEU 28 1HD1 LEU 28 -6.192 21.507 -3.276
194 1HD2 LEU 28 3HD2 LEU 28 -5.354 19.924 -7.176
195 2HD2 LEU 28 1HD2 LEU 28 -5.056 21.625 -6.777
196 3HD2 LEU 28 2HD2 LEU 28 -3.978 20.362 -6.146
197 H GLU 29 H GLU 29 -5.375 16.584 -3.128
198 HA GLU 29 HA GLU 29 -7.712 14.764 -3.579
199 1HB GLU 29 1HB GLU 29 -6.068 12.955 -3.841
200 2HB GLU 29 2HB GLU 29 -6.036 14.197 -5.086
201 1HG GLU 29 1HG GLU 29 -4.015 15.213 -3.974
202 2HG GLU 29 2HG GLU 29 -3.971 13.786 -2.904
203 HE2 GLU 29 HE2 GLU 29 -1.934 13.453 -6.048
204 H LYS 30 H LYS 30 -7.219 12.697 -1.945
205 HA LYS 30 HA LYS 30 -7.346 14.055 0.720
206 1HB LYS 30 1HB LYS 30 -8.965 11.795 -0.453
207 2HB LYS 30 2HB LYS 30 -8.984 12.193 1.271
208 1HG LYS 30 1HG LYS 30 -9.575 14.248 -0.908
209 2HG LYS 30 2HG LYS 30 -10.811 13.275 -0.130
210 1HD LYS 30 1HD LYS 30 -10.852 14.481 1.738
211 2HD LYS 30 2HD LYS 30 -9.115 14.570 1.917
212 1HE LYS 30 1HE LYS 30 -10.721 16.306 -0.026
213 2HE LYS 30 2HE LYS 30 -10.322 16.788 1.627
214 1HZ LYS 30 3HZ LYS 30 -8.283 16.196 -0.431
215 2HZ LYS 30 1HZ LYS 30 -8.787 17.678 -0.018
216 3HZ LYS 30 2HZ LYS 30 -7.971 16.750 1.052
217 H ALA 31 H ALA 31 -5.061 12.603 -0.739
218 HA ALA 31 HA ALA 31 -4.073 10.489 0.747
219 1HB ALA 31 3HB ALA 31 -2.912 11.630 -1.151
220 2HB ALA 31 1HB ALA 31 -2.649 13.039 -0.099
221 3HB ALA 31 2HB ALA 31 -1.849 11.502 0.277
222 H ARG 32 H ARG 32 -2.609 10.440 2.609
223 HA ARG 32 HA ARG 32 -3.658 12.208 4.747
224 1HB ARG 32 1HB ARG 32 -2.064 9.642 4.914
225 2HB ARG 32 2HB ARG 32 -2.801 10.515 6.263
226 1HG ARG 32 1HG ARG 32 -4.324 9.209 3.939
227 2HG ARG 32 2HG ARG 32 -4.085 8.538 5.546
228 1HD ARG 32 1HD ARG 32 -6.283 9.406 5.541
229 2HD ARG 32 2HD ARG 32 -5.288 10.480 6.535
230 HE ARG 32 HE ARG 32 -5.869 11.144 3.645
231 1HH1 ARG 32 1HH2 ARG 32 -6.845 11.837 6.945
232 2HH1 ARG 32 2HH2 ARG 32 -7.066 13.540 6.683
233 1HH2 ARG 32 2HH1 ARG 32 -5.846 13.365 3.339
234 2HH2 ARG 32 1HH1 ARG 32 -6.589 14.438 4.503
235 H HIS 33 H HIS 33 -0.405 11.039 3.704
236 HA HIS 33 HA HIS 33 0.603 13.667 4.649
237 1HB HIS 33 2HB HIS 33 2.844 12.629 4.904
238 2HB HIS 33 1HB HIS 33 1.641 12.281 6.140
239 HD1 HIS 33 HD1 HIS 33 0.241 9.841 5.477
240 HD2 HIS 33 HD2 HIS 33 4.310 10.336 4.629
241 HE1 HIS 33 HE1 HIS 33 1.237 7.529 5.246
242 H GLY 34 H GLY 34 1.827 14.822 3.305
243 1HA GLY 34 1HA GLY 34 2.623 13.721 0.704
244 2HA GLY 34 2HA GLY 34 1.727 15.255 0.731
245 H SER 35 H SER 35 4.608 14.857 -0.050
246 HA SER 35 HA SER 35 5.905 16.845 1.568
247 1HB SER 35 1HB SER 35 5.901 14.209 2.773
248 2HB SER 35 2HB SER 35 7.499 14.434 2.082
249 HG SER 35 HG SER 35 7.442 15.247 4.152
250 H CYS 36 H CYS 36 6.913 17.744 -0.117
251 HA CYS 36 HA CYS 36 7.697 16.229 -2.425
252 1HB CYS 36 1HB CYS 36 7.104 18.597 -2.671
253 2HB CYS 36 2HB CYS 36 8.392 19.058 -1.549
254 H ASN 37 H ASN 37 9.709 15.686 -3.128
255 HA ASN 37 HA ASN 37 11.898 15.534 -1.087
256 1HB ASN 37 1HB ASN 37 10.693 13.392 -1.454
257 2HB ASN 37 2HB ASN 37 11.021 13.506 -3.194
258 1HD2 ASN 37 2HD2 ASN 37 14.389 12.387 -2.868
259 2HD2 ASN 37 1HD2 ASN 37 13.334 13.297 -3.936
260 H TYR 38 H TYR 38 14.012 15.690 -1.985
261 HA TYR 38 HA TYR 38 14.142 17.006 -4.612
262 1HB TYR 38 1HB TYR 38 15.485 17.983 -2.819
263 2HB TYR 38 2HB TYR 38 16.411 16.491 -2.670
264 HD1 TYR 38 HD2 TYR 38 15.226 18.736 -5.497
265 HD2 TYR 38 HD1 TYR 38 18.587 16.726 -3.702
266 HE1 TYR 38 HE2 TYR 38 16.450 18.868 -7.638
267 HE2 TYR 38 HE1 TYR 38 19.789 16.826 -5.868
268 HH TYR 38 HH TYR 38 18.190 17.982 -8.859
269 H VAL 39 H VAL 39 16.947 15.221 -4.285
270 HA VAL 39 HA VAL 39 17.867 13.611 -5.533
271 HB VAL 39 HB VAL 39 15.077 12.352 -5.585
272 1HG1 VAL 39 3HG1 VAL 39 17.695 11.215 -6.593
273 2HG1 VAL 39 1HG1 VAL 39 16.209 10.294 -6.289
274 3HG1 VAL 39 2HG1 VAL 39 16.219 11.531 -7.544
275 1HG2 VAL 39 3HG2 VAL 39 16.309 12.523 -3.359
276 2HG2 VAL 39 1HG2 VAL 39 15.988 10.870 -3.913
277 3HG2 VAL 39 2HG2 VAL 39 17.609 11.572 -4.087
278 H PHE 40 H PHE 40 18.155 13.085 -7.870
279 HA PHE 40 HA PHE 40 17.699 15.393 -9.388
280 1HB PHE 40 1HB PHE 40 18.760 14.246 -11.186
281 2HB PHE 40 2HB PHE 40 19.500 13.647 -9.724
282 HD1 PHE 40 HD1 PHE 40 19.017 11.285 -8.955
283 HD2 PHE 40 HD2 PHE 40 17.413 12.857 -12.647
284 HE1 PHE 40 HE1 PHE 40 18.287 9.015 -9.616
285 HE2 PHE 40 HE2 PHE 40 16.703 10.580 -13.300
286 HZ PHE 40 HZ PHE 40 17.121 8.660 -11.782
287 HA PRO 41 HA PRO 41 17.456 15.993 -11.610
288 1HB PRO 41 1HB PRO 41 15.887 17.353 -13.325
289 2HB PRO 41 2HB PRO 41 16.502 15.713 -13.678
290 1HG PRO 41 1HG PRO 41 13.733 16.470 -12.747
291 2HG PRO 41 2HG PRO 41 14.210 15.293 -13.992
292 1HD PRO 41 1HD PRO 41 13.612 14.603 -11.351
293 2HD PRO 41 2HD PRO 41 14.677 13.647 -12.411
294 H ALA 42 H ALA 42 14.062 16.851 -10.797
295 HA ALA 42 HA ALA 42 14.985 19.294 -9.351
296 1HB ALA 42 2HB ALA 42 13.946 19.738 -11.563
297 2HB ALA 42 3HB ALA 42 12.473 18.907 -11.016
298 3HB ALA 42 1HB ALA 42 13.010 20.402 -10.218
299 H HIS 43 H HIS 43 13.008 20.132 -8.028
300 HA HIS 43 HA HIS 43 12.584 18.305 -5.874
301 1HB HIS 43 2HB HIS 43 11.102 20.889 -6.424
302 2HB HIS 43 1HB HIS 43 11.324 20.084 -4.876
303 HD1 HIS 43 HD1 HIS 43 12.093 22.393 -3.927
304 HD2 HIS 43 HD2 HIS 43 14.682 20.713 -6.789
305 HE1 HIS 43 HE1 HIS 43 14.311 23.576 -3.748
306 H LYS 44 H LYS 44 11.084 16.703 -5.831
307 HA LYS 44 HA LYS 44 8.817 16.687 -7.806
308 1HB LYS 44 1HB LYS 44 10.323 14.525 -6.325
309 2HB LYS 44 2HB LYS 44 8.820 14.213 -7.190
310 1HG LYS 44 1HG LYS 44 9.685 14.686 -9.292
311 2HG LYS 44 2HG LYS 44 11.114 15.497 -8.680
312 1HD LYS 44 1HD LYS 44 10.455 12.527 -8.243
313 2HD LYS 44 2HD LYS 44 11.477 13.101 -9.560
314 1HE LYS 44 1HE LYS 44 12.071 13.328 -6.564
315 2HE LYS 44 2HE LYS 44 12.866 12.272 -7.719
316 1HZ LYS 44 1HZ LYS 44 12.980 15.222 -7.992
317 2HZ LYS 44 2HZ LYS 44 14.041 14.373 -7.128
318 3HZ LYS 44 3HZ LYS 44 13.918 14.063 -8.716
319 H CYS 45 H CYS 45 6.788 16.920 -6.991
320 HA CYS 45 HA CYS 45 6.358 16.916 -4.099
321 1HB CYS 45 1HB CYS 45 5.131 18.544 -5.447
322 2HB CYS 45 2HB CYS 45 4.398 17.256 -6.392
323 H ILE 46 H ILE 46 7.087 14.730 -3.734
324 HA ILE 46 HA ILE 46 5.444 12.523 -4.750
325 HB ILE 46 HB ILE 46 7.435 12.592 -2.460
326 1HG1 ILE 46 1HG1 ILE 46 8.728 13.159 -4.393
327 2HG1 ILE 46 2HG1 ILE 46 9.015 11.470 -4.019
328 1HG2 ILE 46 3HG2 ILE 46 6.204 10.254 -3.986
329 2HG2 ILE 46 1HG2 ILE 46 7.530 10.118 -2.813
330 3HG2 ILE 46 2HG2 ILE 46 5.937 10.665 -2.290
331 1HD1 ILE 46 3HD1 ILE 46 7.394 10.813 -5.829
332 2HD1 ILE 46 1HD1 ILE 46 7.221 12.539 -6.236
333 3HD1 ILE 46 2HD1 ILE 46 8.787 11.733 -6.412
334 H CYS 47 H CYS 47 3.713 11.579 -3.706
335 HA CYS 47 HA CYS 47 2.981 12.644 -1.035
336 1HB CYS 47 1HB CYS 47 1.749 13.900 -2.773
337 2HB CYS 47 2HB CYS 47 1.034 12.413 -3.344
338 H TYR 48 H TYR 48 1.969 11.189 0.394
339 HA TYR 48 HA TYR 48 2.474 8.356 -0.418
340 1HB TYR 48 1HB TYR 48 2.790 9.558 2.308
341 2HB TYR 48 2HB TYR 48 3.441 8.037 1.708
342 HD1 TYR 48 HD1 TYR 48 3.717 11.755 1.595
343 HD2 TYR 48 HD2 TYR 48 5.726 8.029 0.849
344 HE1 TYR 48 HE1 TYR 48 5.670 12.978 0.717
345 HE2 TYR 48 HE2 TYR 48 7.755 9.276 0.132
346 HH TYR 48 HH TYR 48 7.752 12.854 -0.198
347 H PHE 49 H PHE 49 0.551 7.207 -0.508
348 HA PHE 49 HA PHE 49 -1.241 7.330 1.768
349 1HB PHE 49 1HB PHE 49 -3.243 7.821 0.283
350 2HB PHE 49 2HB PHE 49 -2.194 9.151 0.729
351 HD1 PHE 49 HD2 PHE 49 -0.393 9.919 -0.994
352 HD2 PHE 49 HD1 PHE 49 -4.043 7.827 -1.946
353 HE1 PHE 49 HE2 PHE 49 -0.345 10.860 -3.231
354 HE2 PHE 49 HE1 PHE 49 -4.093 8.998 -4.134
355 HZ PHE 49 HZ PHE 49 -2.202 10.561 -4.756
356 HA PRO 50 HA PRO 50 -1.985 3.134 0.788
357 1HB PRO 50 1HB PRO 50 -4.949 3.745 0.735
358 2HB PRO 50 2HB PRO 50 -4.110 2.390 1.546
359 1HG PRO 50 1HG PRO 50 -4.878 4.522 3.013
360 2HG PRO 50 2HG PRO 50 -3.219 3.886 3.225
361 1HD PRO 50 1HD PRO 50 -4.118 6.221 1.529
362 2HD PRO 50 2HD PRO 50 -2.783 6.167 2.710
363 H CYS 51 H CYS 51 -2.569 1.690 -0.985
364 HA CYS 51 HA CYS 51 -2.448 3.097 -3.494
365 1HB CYS 51 1HB CYS 51 -1.506 0.677 -2.678
366 2HB CYS 51 2HB CYS 51 -2.907 0.173 -3.623
No H/Q in entry = 366
Start of MODEL 16
1 HA PCA 1 HA PYR 1 -2.001 -0.002 4.976
2 1HB PCA 1 1HB PYR 1 0.095 -1.274 6.335
3 2HB PCA 1 2HB PYR 1 -1.531 -1.962 6.105
4 1HG PCA 1 1HG PYR 1 0.968 -2.767 4.709
5 2HG PCA 1 2HG PYR 1 -0.584 -3.636 4.880
6 HN PCA 1 HN PYR 1 -1.588 -0.593 2.547
7 H LYS 2 H LYS 2 1.437 -0.797 4.475
8 HA LYS 2 HA LYS 2 2.611 1.703 4.727
9 1HB LYS 2 1HB LYS 2 4.468 0.768 3.350
10 2HB LYS 2 2HB LYS 2 3.898 -0.320 4.612
11 1HG LYS 2 1HG LYS 2 4.159 -1.778 2.868
12 2HG LYS 2 2HG LYS 2 2.447 -1.429 2.768
13 1HD LYS 2 1HD LYS 2 3.535 0.487 1.028
14 2HD LYS 2 2HD LYS 2 4.721 -0.788 0.922
15 1HE LYS 2 1HE LYS 2 2.973 -0.946 -0.821
16 2HE LYS 2 2HE LYS 2 3.022 -2.406 0.179
17 1HZ LYS 2 1HZ LYS 2 1.178 -0.247 0.869
18 2HZ LYS 2 2HZ LYS 2 0.748 -1.244 -0.344
19 3HZ LYS 2 3HZ LYS 2 1.002 -1.859 1.141
20 H LEU 3 H LEU 3 3.038 3.424 3.319
21 HA LEU 3 HA LEU 3 0.906 3.705 1.396
22 1HB LEU 3 1HB LEU 3 2.956 5.769 2.209
23 2HB LEU 3 2HB LEU 3 1.447 6.039 1.342
24 HG LEU 3 HG LEU 3 0.476 4.824 3.605
25 1HD1 LEU 3 3HD1 LEU 3 2.869 6.497 4.507
26 2HD1 LEU 3 1HD1 LEU 3 1.595 5.851 5.558
27 3HD1 LEU 3 2HD1 LEU 3 2.698 4.746 4.733
28 1HD2 LEU 3 2HD2 LEU 3 -0.292 6.975 2.586
29 2HD2 LEU 3 3HD2 LEU 3 -0.196 7.035 4.352
30 3HD2 LEU 3 1HD2 LEU 3 1.066 7.805 3.377
31 H CYS 4 H CYS 4 1.127 4.484 -0.757
32 HA CYS 4 HA CYS 4 3.624 3.597 -2.134
33 1HB CYS 4 1HB CYS 4 0.749 3.842 -3.064
34 2HB CYS 4 2HB CYS 4 2.116 3.867 -4.195
35 H GLU 5 H GLU 5 4.959 5.083 -2.764
36 HA GLU 5 HA GLU 5 4.451 7.904 -2.350
37 1HB GLU 5 1HB GLU 5 6.877 6.302 -3.322
38 2HB GLU 5 2HB GLU 5 6.874 8.029 -2.990
39 1HG GLU 5 1HG GLU 5 7.766 6.962 -1.049
40 2HG GLU 5 2HG GLU 5 6.149 7.563 -0.652
41 HE2 GLU 5 HE2 GLU 5 5.431 4.485 0.652
42 H ARG 6 H ARG 6 2.931 8.446 -3.926
43 HA ARG 6 HA ARG 6 3.193 7.947 -6.751
44 1HB ARG 6 1HB ARG 6 1.076 8.473 -5.771
45 2HB ARG 6 2HB ARG 6 1.655 10.023 -5.170
46 1HG ARG 6 1HG ARG 6 2.109 9.907 -8.051
47 2HG ARG 6 2HG ARG 6 0.467 9.426 -7.691
48 1HD ARG 6 1HD ARG 6 0.404 11.736 -8.034
49 2HD ARG 6 2HD ARG 6 0.175 11.510 -6.302
50 HE ARG 6 HE ARG 6 2.970 11.974 -6.781
51 1HH1 ARG 6 2HH2 ARG 6 -0.122 13.678 -6.732
52 2HH1 ARG 6 1HH2 ARG 6 0.532 15.259 -6.919
53 1HH2 ARG 6 1HH1 ARG 6 3.936 14.059 -6.829
54 2HH2 ARG 6 2HH1 ARG 6 3.002 15.471 -7.133
55 HA PRO 7 HA PRO 7 6.449 11.104 -6.905
56 1HB PRO 7 1HB PRO 7 7.515 10.560 -9.379
57 2HB PRO 7 2HB PRO 7 7.712 9.484 -7.982
58 1HG PRO 7 1HG PRO 7 5.730 9.164 -10.251
59 2HG PRO 7 2HG PRO 7 6.781 7.944 -9.497
60 1HD PRO 7 1HD PRO 7 4.119 8.382 -8.822
61 2HD PRO 7 2HD PRO 7 5.331 7.657 -7.732
62 H SER 8 H SER 8 5.569 11.099 -10.363
63 HA SER 8 HA SER 8 4.542 13.830 -10.196
64 1HB SER 8 1HB SER 8 4.620 11.791 -12.458
65 2HB SER 8 2HB SER 8 4.091 13.461 -12.630
66 HG SER 8 HG SER 8 6.268 13.142 -13.233
67 H GLY 9 H GLY 9 2.365 14.368 -11.091
68 1HA GLY 9 1HA GLY 9 0.311 12.731 -11.725
69 2HA GLY 9 2HA GLY 9 0.182 12.765 -9.959
70 H THR 10 H THR 10 -0.065 14.856 -8.890
71 HA THR 10 HA THR 10 -1.351 16.974 -10.523
72 HB THR 10 HB THR 10 -1.480 18.105 -8.238
73 HG1 THR 10 HG1 THR 10 -1.321 16.448 -6.494
74 1HG2 THR 10 1HG2 THR 10 -3.399 16.913 -9.160
75 2HG2 THR 10 2HG2 THR 10 -2.850 15.412 -8.359
76 3HG2 THR 10 3HG2 THR 10 -3.321 16.836 -7.395
77 H TRP 11 H TRP 11 0.694 17.634 -7.805
78 HA TRP 11 HA TRP 11 2.379 19.432 -9.284
79 1HB TRP 11 1HB TRP 11 1.689 19.520 -6.854
80 2HB TRP 11 2HB TRP 11 2.891 18.288 -6.517
81 HD1 TRP 11 HD1 TRP 11 4.959 19.928 -8.773
82 HE1 TRP 11 HE1 TRP 11 6.071 22.097 -7.945
83 HE3 TRP 11 HE3 TRP 11 2.065 20.796 -4.684
84 HZ2 TRP 11 HZ2 TRP 11 5.685 24.001 -5.833
85 HZ3 TRP 11 HZ3 TRP 11 2.453 22.795 -3.268
86 HH2 TRP 11 HH2 TRP 11 4.371 24.266 -3.716
87 H SER 12 H SER 12 3.503 18.467 -10.828
88 HA SER 12 HA SER 12 5.138 16.036 -10.298
89 1HB SER 12 1HB SER 12 4.158 17.250 -12.918
90 2HB SER 12 2HB SER 12 4.951 15.684 -12.693
91 HG SER 12 HG SER 12 2.396 16.541 -11.726
92 H GLY 13 H GLY 13 5.360 19.420 -11.210
93 1HA GLY 13 1HA GLY 13 8.087 19.268 -12.238
94 2HA GLY 13 2HA GLY 13 7.087 20.704 -11.991
95 H VAL 14 H VAL 14 8.995 21.708 -11.108
96 HA VAL 14 HA VAL 14 10.486 20.848 -8.902
97 HB VAL 14 HB VAL 14 9.739 23.639 -9.747
98 1HG1 VAL 14 2HG1 VAL 14 11.924 22.718 -7.853
99 2HG1 VAL 14 3HG1 VAL 14 11.843 24.336 -8.575
100 3HG1 VAL 14 1HG1 VAL 14 10.561 23.797 -7.492
101 1HG2 VAL 14 1HG2 VAL 14 10.955 22.361 -11.527
102 2HG2 VAL 14 2HG2 VAL 14 11.969 23.643 -10.861
103 3HG2 VAL 14 3HG2 VAL 14 12.227 21.964 -10.351
104 H CYS 15 H CYS 15 9.985 20.670 -6.836
105 HA CYS 15 HA CYS 15 7.280 21.060 -5.900
106 1HB CYS 15 1HB CYS 15 7.804 19.810 -4.083
107 2HB CYS 15 2HB CYS 15 9.045 19.259 -5.205
108 H GLY 16 H GLY 16 10.330 22.810 -5.379
109 1HA GLY 16 1HA GLY 16 10.751 24.866 -4.463
110 2HA GLY 16 2HA GLY 16 9.015 25.176 -4.422
111 H ASN 17 H ASN 17 8.350 22.910 -2.617
112 HA ASN 17 HA ASN 17 9.660 23.419 -0.083
113 1HB ASN 17 1HB ASN 17 8.613 25.625 -0.353
114 2HB ASN 17 2HB ASN 17 7.062 24.864 -0.738
115 1HD2 ASN 17 2HD2 ASN 17 8.375 24.982 3.174
116 2HD2 ASN 17 1HD2 ASN 17 9.512 25.242 1.865
117 H ASN 18 H ASN 18 9.218 21.788 1.257
118 HA ASN 18 HA ASN 18 7.723 19.556 0.775
119 1HB ASN 18 1HB ASN 18 9.473 19.916 2.544
120 2HB ASN 18 2HB ASN 18 8.320 20.822 3.503
121 1HD2 ASN 18 2HD2 ASN 18 7.995 16.758 3.313
122 2HD2 ASN 18 1HD2 ASN 18 9.318 17.592 2.507
123 H ASN 19 H ASN 19 6.806 22.145 2.949
124 HA ASN 19 HA ASN 19 4.315 21.095 3.721
125 1HB ASN 19 1HB ASN 19 5.438 22.787 5.038
126 2HB ASN 19 2HB ASN 19 5.175 24.009 3.784
127 1HD2 ASN 19 2HD2 ASN 19 1.859 24.691 4.813
128 2HD2 ASN 19 1HD2 ASN 19 3.193 25.119 3.757
129 H ALA 20 H ALA 20 4.918 23.602 1.176
130 HA ALA 20 HA ALA 20 2.166 23.885 0.429
131 1HB ALA 20 3HB ALA 20 3.913 25.402 -0.452
132 2HB ALA 20 1HB ALA 20 4.611 24.050 -1.384
133 3HB ALA 20 2HB ALA 20 2.977 24.640 -1.748
134 H CYS 21 H CYS 21 4.758 21.697 -0.808
135 HA CYS 21 HA CYS 21 3.246 20.274 -2.644
136 1HB CYS 21 1HB CYS 21 5.490 19.709 -2.669
137 2HB CYS 21 2HB CYS 21 5.602 19.542 -0.925
138 H LYS 22 H LYS 22 3.691 19.564 0.810
139 HA LYS 22 HA LYS 22 2.153 17.275 1.138
140 1HB LYS 22 1HB LYS 22 3.672 18.302 2.769
141 2HB LYS 22 2HB LYS 22 2.572 19.625 3.044
142 1HG LYS 22 1HG LYS 22 0.907 18.338 4.031
143 2HG LYS 22 2HG LYS 22 1.643 16.809 3.610
144 1HD LYS 22 1HD LYS 22 2.968 18.916 5.427
145 2HD LYS 22 2HD LYS 22 1.843 17.714 6.039
146 1HE LYS 22 1HE LYS 22 4.092 16.978 6.512
147 2HE LYS 22 2HE LYS 22 3.311 15.869 5.376
148 1HZ LYS 22 3HZ LYS 22 5.307 17.938 4.607
149 2HZ LYS 22 1HZ LYS 22 5.571 16.316 4.661
150 3HZ LYS 22 2HZ LYS 22 4.517 16.880 3.618
151 H ASN 23 H ASN 23 1.138 20.665 1.616
152 HA ASN 23 HA ASN 23 -1.552 20.100 2.173
153 1HB ASN 23 1HB ASN 23 -0.507 22.290 2.554
154 2HB ASN 23 2HB ASN 23 -0.311 22.559 0.822
155 1HD2 ASN 23 2HD2 ASN 23 -3.440 24.234 2.329
156 2HD2 ASN 23 1HD2 ASN 23 -1.823 24.065 2.988
157 H GLN 24 H GLN 24 -0.148 21.222 -0.983
158 HA GLN 24 HA GLN 24 -2.550 20.986 -2.409
159 1HB GLN 24 1HB GLN 24 0.322 20.830 -3.326
160 2HB GLN 24 2HB GLN 24 -1.075 20.775 -4.430
161 1HG GLN 24 1HG GLN 24 -1.886 22.948 -3.512
162 2HG GLN 24 2HG GLN 24 -0.474 23.027 -2.449
163 1HE2 GLN 24 2HE2 GLN 24 0.682 23.220 -6.373
164 2HE2 GLN 24 1HE2 GLN 24 -0.108 21.776 -5.763
165 H CYS 25 H CYS 25 -0.042 18.503 -1.875
166 HA CYS 25 HA CYS 25 -1.052 16.418 -3.446
167 1HB CYS 25 1HB CYS 25 0.989 16.030 -2.457
168 2HB CYS 25 2HB CYS 25 0.447 16.524 -0.861
169 H ILE 26 H ILE 26 -1.742 16.858 0.090
170 HA ILE 26 HA ILE 26 -3.843 14.852 -0.089
171 HB ILE 26 HB ILE 26 -4.055 15.056 2.254
172 1HG1 ILE 26 1HG1 ILE 26 -2.578 17.701 2.043
173 2HG1 ILE 26 2HG1 ILE 26 -4.229 17.413 2.608
174 1HG2 ILE 26 1HG2 ILE 26 -1.971 14.014 1.282
175 2HG2 ILE 26 2HG2 ILE 26 -1.106 15.520 1.648
176 3HG2 ILE 26 3HG2 ILE 26 -1.819 14.563 2.953
177 1HD1 ILE 26 3HD1 ILE 26 -3.281 16.063 4.514
178 2HD1 ILE 26 1HD1 ILE 26 -1.657 16.593 4.007
179 3HD1 ILE 26 2HD1 ILE 26 -2.851 17.787 4.530
180 H ASN 27 H ASN 27 -3.796 18.179 -0.654
181 HA ASN 27 HA ASN 27 -6.591 18.718 -0.009
182 1HB ASN 27 1HB ASN 27 -4.781 20.303 0.293
183 2HB ASN 27 2HB ASN 27 -4.471 20.334 -1.460
184 1HD2 ASN 27 2HD2 ASN 27 -6.440 23.329 -0.549
185 2HD2 ASN 27 1HD2 ASN 27 -4.876 22.638 -0.092
186 H LEU 28 H LEU 28 -4.666 18.735 -3.111
187 HA LEU 28 HA LEU 28 -7.041 18.865 -4.725
188 1HB LEU 28 1HB LEU 28 -4.105 18.381 -5.327
189 2HB LEU 28 2HB LEU 28 -5.350 18.180 -6.546
190 HG LEU 28 HG LEU 28 -6.097 20.464 -6.356
191 1HD1 LEU 28 2HD1 LEU 28 -3.901 20.830 -4.280
192 2HD1 LEU 28 3HD1 LEU 28 -4.804 22.143 -5.054
193 3HD1 LEU 28 1HD1 LEU 28 -5.651 21.005 -4.004
194 1HD2 LEU 28 1HD2 LEU 28 -4.263 19.883 -7.910
195 2HD2 LEU 28 2HD2 LEU 28 -4.093 21.540 -7.305
196 3HD2 LEU 28 3HD2 LEU 28 -3.069 20.247 -6.644
197 H GLU 29 H GLU 29 -4.875 16.158 -3.769
198 HA GLU 29 HA GLU 29 -6.986 14.306 -4.812
199 1HB GLU 29 1HB GLU 29 -5.469 12.515 -4.967
200 2HB GLU 29 2HB GLU 29 -5.029 13.789 -6.084
201 1HG GLU 29 1HG GLU 29 -3.543 13.653 -3.452
202 2HG GLU 29 2HG GLU 29 -3.287 12.395 -4.648
203 HE1 GLU 29 HE2 GLU 29 -3.056 15.835 -4.303
204 H LYS 30 H LYS 30 -6.861 12.242 -3.216
205 HA LYS 30 HA LYS 30 -7.251 13.484 -0.534
206 1HB LYS 30 1HB LYS 30 -8.627 11.199 -1.943
207 2HB LYS 30 2HB LYS 30 -8.812 11.487 -0.207
208 1HG LYS 30 1HG LYS 30 -9.343 13.629 -2.318
209 2HG LYS 30 2HG LYS 30 -10.574 12.562 -1.662
210 1HD LYS 30 1HD LYS 30 -10.857 13.779 0.159
211 2HD LYS 30 2HD LYS 30 -9.166 13.739 0.603
212 1HE LYS 30 1HE LYS 30 -10.378 15.687 -1.427
213 2HE LYS 30 2HE LYS 30 -10.200 16.045 0.292
214 1HZ LYS 30 2HZ LYS 30 -7.898 15.460 -1.475
215 2HZ LYS 30 3HZ LYS 30 -8.419 16.938 -1.098
216 3HZ LYS 30 1HZ LYS 30 -7.798 15.962 0.056
217 H ALA 31 H ALA 31 -4.776 12.230 -1.796
218 HA ALA 31 HA ALA 31 -3.683 10.135 -0.434
219 1HB ALA 31 2HB ALA 31 -2.592 11.643 -2.075
220 2HB ALA 31 3HB ALA 31 -2.552 12.923 -0.853
221 3HB ALA 31 1HB ALA 31 -1.576 11.455 -0.621
222 H ARG 32 H ARG 32 -2.227 10.074 1.430
223 HA ARG 32 HA ARG 32 -3.566 11.325 3.804
224 1HB ARG 32 1HB ARG 32 -2.105 8.751 3.247
225 2HB ARG 32 2HB ARG 32 -1.976 9.453 4.849
226 1HG ARG 32 1HG ARG 32 -3.717 7.758 4.700
227 2HG ARG 32 2HG ARG 32 -4.263 9.310 5.314
228 1HD ARG 32 1HD ARG 32 -4.762 8.271 2.482
229 2HD ARG 32 2HD ARG 32 -5.906 8.101 3.805
230 HE ARG 32 HE ARG 32 -5.620 10.306 2.067
231 1HH1 ARG 32 1HH1 ARG 32 -6.499 9.641 5.388
232 2HH1 ARG 32 2HH1 ARG 32 -7.044 11.258 5.725
233 1HH2 ARG 32 2HH2 ARG 32 -5.921 12.435 2.542
234 2HH2 ARG 32 1HH2 ARG 32 -6.794 12.929 3.980
235 H HIS 33 H HIS 33 -0.267 10.644 2.555
236 HA HIS 33 HA HIS 33 0.561 13.146 3.975
237 1HB HIS 33 2HB HIS 33 2.268 10.667 3.567
238 2HB HIS 33 1HB HIS 33 2.878 12.257 4.016
239 HD1 HIS 33 HD1 HIS 33 -0.268 11.942 5.763
240 HD2 HIS 33 HD2 HIS 33 3.642 10.524 6.322
241 HE1 HIS 33 HE1 HIS 33 -0.106 11.121 8.156
242 H GLY 34 H GLY 34 2.341 14.241 2.895
243 1HA GLY 34 1HA GLY 34 3.031 13.660 0.207
244 2HA GLY 34 2HA GLY 34 2.026 15.100 0.276
245 H SER 35 H SER 35 5.010 14.799 -0.229
246 HA SER 35 HA SER 35 6.104 16.788 1.567
247 1HB SER 35 1HB SER 35 6.414 13.868 2.240
248 2HB SER 35 2HB SER 35 7.938 14.726 2.086
249 HG SER 35 HG SER 35 7.099 14.753 4.200
250 H CYS 36 H CYS 36 8.157 17.429 0.748
251 HA CYS 36 HA CYS 36 8.521 16.674 -2.076
252 1HB CYS 36 1HB CYS 36 8.464 19.018 -1.536
253 2HB CYS 36 2HB CYS 36 9.810 18.836 -0.390
254 H ASN 37 H ASN 37 10.339 15.655 -2.898
255 HA ASN 37 HA ASN 37 12.639 15.071 -1.092
256 1HB ASN 37 1HB ASN 37 11.424 12.959 -1.107
257 2HB ASN 37 2HB ASN 37 11.157 13.081 -2.859
258 1HD2 ASN 37 2HD2 ASN 37 14.179 11.467 -3.632
259 2HD2 ASN 37 1HD2 ASN 37 12.469 11.657 -3.975
260 H TYR 38 H TYR 38 14.646 14.720 -2.398
261 HA TYR 38 HA TYR 38 14.587 16.340 -4.861
262 1HB TYR 38 1HB TYR 38 16.471 16.564 -3.279
263 2HB TYR 38 2HB TYR 38 16.953 14.907 -3.653
264 HD1 TYR 38 HD1 TYR 38 16.515 18.339 -5.014
265 HD2 TYR 38 HD2 TYR 38 17.915 14.356 -5.874
266 HE1 TYR 38 HE1 TYR 38 17.314 19.105 -7.219
267 HE2 TYR 38 HE2 TYR 38 18.664 15.113 -8.114
268 HH TYR 38 HH TYR 38 18.188 18.455 -9.277
269 H VAL 39 H VAL 39 13.711 15.378 -6.582
270 HA VAL 39 HA VAL 39 15.105 13.290 -7.861
271 HB VAL 39 HB VAL 39 13.817 11.819 -6.447
272 1HG1 VAL 39 2HG1 VAL 39 11.939 13.265 -5.813
273 2HG1 VAL 39 3HG1 VAL 39 11.322 13.163 -7.476
274 3HG1 VAL 39 1HG1 VAL 39 11.375 11.713 -6.460
275 1HG2 VAL 39 1HG2 VAL 39 14.144 11.175 -8.859
276 2HG2 VAL 39 2HG2 VAL 39 12.841 10.358 -7.982
277 3HG2 VAL 39 3HG2 VAL 39 12.439 11.640 -9.124
278 H PHE 40 H PHE 40 13.650 12.945 -10.081
279 HA PHE 40 HA PHE 40 14.066 15.314 -11.291
280 1HB PHE 40 1HB PHE 40 13.450 14.378 -13.269
281 2HB PHE 40 2HB PHE 40 13.751 12.951 -12.311
282 HD1 PHE 40 HD1 PHE 40 11.736 11.626 -11.420
283 HD2 PHE 40 HD2 PHE 40 11.308 14.905 -14.196
284 HE1 PHE 40 HE1 PHE 40 9.480 10.815 -12.043
285 HE2 PHE 40 HE2 PHE 40 9.065 14.083 -14.822
286 HZ PHE 40 HZ PHE 40 8.173 11.994 -13.791
287 HA PRO 41 HA PRO 41 13.503 16.780 -12.958
288 1HB PRO 41 1HB PRO 41 13.133 19.440 -13.223
289 2HB PRO 41 2HB PRO 41 12.026 18.226 -13.940
290 1HG PRO 41 1HG PRO 41 11.623 19.758 -11.356
291 2HG PRO 41 2HG PRO 41 10.477 19.539 -12.702
292 1HD PRO 41 1HD PRO 41 10.467 17.921 -10.459
293 2HD PRO 41 2HD PRO 41 10.020 17.312 -12.075
294 H ALA 42 H ALA 42 12.852 18.760 -10.028
295 HA ALA 42 HA ALA 42 15.451 18.329 -8.924
296 1HB ALA 42 2HB ALA 42 14.900 21.080 -10.143
297 2HB ALA 42 3HB ALA 42 16.199 20.723 -8.987
298 3HB ALA 42 1HB ALA 42 16.210 19.969 -10.591
299 H HIS 43 H HIS 43 14.379 17.837 -7.081
300 HA HIS 43 HA HIS 43 13.225 18.058 -5.123
301 1HB HIS 43 2HB HIS 43 12.479 20.920 -5.738
302 2HB HIS 43 1HB HIS 43 12.484 20.106 -4.203
303 HD1 HIS 43 HD1 HIS 43 14.684 19.766 -2.904
304 HD2 HIS 43 HD2 HIS 43 15.120 21.846 -6.521
305 HE1 HIS 43 HE1 HIS 43 17.011 20.781 -2.921
306 H LYS 44 H LYS 44 11.391 16.867 -5.211
307 HA LYS 44 HA LYS 44 9.245 17.602 -7.155
308 1HB LYS 44 1HB LYS 44 10.857 15.726 -7.877
309 2HB LYS 44 2HB LYS 44 10.061 14.818 -6.574
310 1HG LYS 44 1HG LYS 44 7.817 15.463 -7.723
311 2HG LYS 44 2HG LYS 44 8.833 16.056 -9.052
312 1HD LYS 44 1HD LYS 44 9.872 13.651 -9.043
313 2HD LYS 44 2HD LYS 44 8.594 13.229 -7.904
314 1HE LYS 44 1HE LYS 44 7.912 12.600 -10.146
315 2HE LYS 44 2HE LYS 44 6.894 13.953 -9.610
316 1HZ LYS 44 1HZ LYS 44 9.292 14.264 -11.305
317 2HZ LYS 44 2HZ LYS 44 7.720 14.048 -11.867
318 3HZ LYS 44 3HZ LYS 44 8.135 15.387 -11.001
319 H CYS 45 H CYS 45 7.224 17.406 -6.391
320 HA CYS 45 HA CYS 45 6.804 16.900 -3.586
321 1HB CYS 45 1HB CYS 45 5.500 18.585 -4.825
322 2HB CYS 45 2HB CYS 45 4.859 17.320 -5.884
323 H ILE 46 H ILE 46 6.840 14.832 -2.797
324 HA ILE 46 HA ILE 46 5.780 12.589 -4.429
325 HB ILE 46 HB ILE 46 6.989 12.590 -1.637
326 1HG1 ILE 46 1HG1 ILE 46 8.729 13.323 -3.126
327 2HG1 ILE 46 2HG1 ILE 46 9.018 11.650 -2.654
328 1HG2 ILE 46 1HG2 ILE 46 6.331 10.327 -3.558
329 2HG2 ILE 46 2HG2 ILE 46 7.234 10.165 -2.030
330 3HG2 ILE 46 3HG2 ILE 46 5.544 10.673 -2.013
331 1HD1 ILE 46 2HD1 ILE 46 8.118 10.884 -4.862
332 2HD1 ILE 46 3HD1 ILE 46 7.890 12.586 -5.333
333 3HD1 ILE 46 1HD1 ILE 46 9.511 11.963 -5.013
334 H CYS 47 H CYS 47 3.816 11.701 -3.950
335 HA CYS 47 HA CYS 47 2.256 12.859 -1.662
336 1HB CYS 47 1HB CYS 47 1.662 13.728 -3.971
337 2HB CYS 47 2HB CYS 47 1.176 12.081 -4.346
338 H TYR 48 H TYR 48 1.117 11.273 -0.418
339 HA TYR 48 HA TYR 48 1.968 8.456 -1.017
340 1HB TYR 48 1HB TYR 48 1.731 9.882 1.622
341 2HB TYR 48 2HB TYR 48 2.165 8.201 1.387
342 HD1 TYR 48 HD2 TYR 48 3.339 11.607 0.336
343 HD2 TYR 48 HD1 TYR 48 4.424 7.670 1.666
344 HE1 TYR 48 HE2 TYR 48 5.697 12.325 0.488
345 HE2 TYR 48 HE1 TYR 48 6.762 8.407 1.923
346 HH TYR 48 HH TYR 48 8.272 10.143 1.653
347 H PHE 49 H PHE 49 0.212 7.157 -1.405
348 HA PHE 49 HA PHE 49 -2.278 7.646 0.138
349 1HB PHE 49 1HB PHE 49 -2.388 5.663 -2.015
350 2HB PHE 49 2HB PHE 49 -3.482 6.946 -1.585
351 HD1 PHE 49 HD1 PHE 49 -2.011 9.414 -1.951
352 HD2 PHE 49 HD2 PHE 49 -2.029 5.848 -4.361
353 HE1 PHE 49 HE1 PHE 49 -1.532 10.773 -3.978
354 HE2 PHE 49 HE2 PHE 49 -1.626 7.215 -6.382
355 HZ PHE 49 HZ PHE 49 -1.405 9.695 -6.189
356 HA PRO 50 HA PRO 50 -1.147 3.865 2.346
357 1HB PRO 50 1HB PRO 50 -3.440 3.271 3.612
358 2HB PRO 50 2HB PRO 50 -2.479 4.730 3.994
359 1HG PRO 50 1HG PRO 50 -4.884 4.559 2.135
360 2HG PRO 50 2HG PRO 50 -4.656 5.685 3.505
361 1HD PRO 50 1HD PRO 50 -4.022 6.428 0.956
362 2HD PRO 50 2HD PRO 50 -2.965 6.889 2.325
363 H CYS 51 H CYS 51 -0.883 3.040 0.156
364 HA CYS 51 HA CYS 51 -2.918 1.542 -1.205
365 1HB CYS 51 1HB CYS 51 -1.109 1.012 -2.760
366 2HB CYS 51 2HB CYS 51 -0.989 2.665 -2.227
No H/Q in entry = 366
Start of MODEL 17
1 HA PCA 1 HA PYR 1 -2.992 -1.532 3.419
2 1HB PCA 1 1HB PYR 1 -1.007 -3.309 4.313
3 2HB PCA 1 2HB PYR 1 -2.709 -3.737 4.008
4 1HG PCA 1 1HG PYR 1 -0.351 -4.403 2.322
5 2HG PCA 1 2HG PYR 1 -1.978 -5.142 2.357
6 HN PCA 1 HN PYR 1 -2.676 -1.492 0.919
7 H LYS 2 H LYS 2 0.365 -2.398 2.430
8 HA LYS 2 HA LYS 2 1.616 -0.226 3.650
9 1HB LYS 2 1HB LYS 2 3.554 -0.746 2.514
10 2HB LYS 2 2HB LYS 2 2.760 -2.299 2.726
11 1HG LYS 2 1HG LYS 2 2.716 -0.667 0.119
12 2HG LYS 2 2HG LYS 2 3.960 -1.806 0.538
13 1HD LYS 2 1HD LYS 2 2.841 -3.570 -0.122
14 2HD LYS 2 2HD LYS 2 1.410 -3.181 0.815
15 1HE LYS 2 1HE LYS 2 2.074 -1.837 -1.857
16 2HE LYS 2 2HE LYS 2 1.134 -3.332 -1.741
17 1HZ LYS 2 3HZ LYS 2 0.329 -0.866 -0.345
18 2HZ LYS 2 1HZ LYS 2 -0.260 -1.288 -1.811
19 3HZ LYS 2 2HZ LYS 2 -0.534 -2.259 -0.560
20 H LEU 3 H LEU 3 2.417 1.773 2.882
21 HA LEU 3 HA LEU 3 0.607 3.267 1.306
22 1HB LEU 3 1HB LEU 3 3.427 3.818 2.197
23 2HB LEU 3 2HB LEU 3 2.409 5.053 1.468
24 HG LEU 3 HG LEU 3 1.487 3.618 3.987
25 1HD1 LEU 3 1HD1 LEU 3 3.776 4.510 4.397
26 2HD1 LEU 3 2HD1 LEU 3 3.259 6.094 3.791
27 3HD1 LEU 3 3HD1 LEU 3 2.552 5.430 5.281
28 1HD2 LEU 3 3HD2 LEU 3 0.890 6.344 2.765
29 2HD2 LEU 3 1HD2 LEU 3 -0.190 4.943 2.842
30 3HD2 LEU 3 2HD2 LEU 3 0.288 5.763 4.330
31 H CYS 4 H CYS 4 1.073 4.467 -0.648
32 HA CYS 4 HA CYS 4 3.267 3.407 -2.403
33 1HB CYS 4 1HB CYS 4 0.423 4.148 -3.175
34 2HB CYS 4 2HB CYS 4 1.780 4.269 -4.306
35 H GLU 5 H GLU 5 4.724 4.928 -2.780
36 HA GLU 5 HA GLU 5 4.304 7.738 -2.084
37 1HB GLU 5 1HB GLU 5 6.651 6.293 -3.431
38 2HB GLU 5 2HB GLU 5 6.640 7.955 -2.833
39 1HG GLU 5 1HG GLU 5 6.079 7.014 -0.541
40 2HG GLU 5 2HG GLU 5 6.422 5.403 -1.179
41 HE1 GLU 5 HE2 GLU 5 9.889 6.026 -1.485
42 H ARG 6 H ARG 6 2.493 8.051 -3.577
43 HA ARG 6 HA ARG 6 2.903 7.641 -6.457
44 1HB ARG 6 1HB ARG 6 0.665 7.958 -4.782
45 2HB ARG 6 2HB ARG 6 0.695 9.434 -5.725
46 1HG ARG 6 1HG ARG 6 0.827 6.662 -6.983
47 2HG ARG 6 2HG ARG 6 -0.680 7.393 -6.466
48 1HD ARG 6 1HD ARG 6 1.161 8.374 -8.663
49 2HD ARG 6 2HD ARG 6 -0.490 7.824 -8.828
50 HE ARG 6 HE ARG 6 0.488 10.464 -8.144
51 1HH1 ARG 6 1HH1 ARG 6 -2.245 8.320 -7.519
52 2HH1 ARG 6 2HH1 ARG 6 -3.343 9.598 -7.084
53 1HH2 ARG 6 2HH2 ARG 6 -0.953 12.172 -7.644
54 2HH2 ARG 6 1HH2 ARG 6 -2.547 11.835 -7.055
55 HA PRO 7 HA PRO 7 4.779 11.807 -6.642
56 1HB PRO 7 1HB PRO 7 4.770 12.170 -9.370
57 2HB PRO 7 2HB PRO 7 5.991 11.199 -8.499
58 1HG PRO 7 1HG PRO 7 3.511 10.210 -9.916
59 2HG PRO 7 2HG PRO 7 5.172 9.559 -10.034
60 1HD PRO 7 1HD PRO 7 3.308 8.436 -8.434
61 2HD PRO 7 2HD PRO 7 4.985 8.524 -7.870
62 H SER 8 H SER 8 3.883 13.864 -7.017
63 HA SER 8 HA SER 8 1.533 14.606 -6.232
64 1HB SER 8 1HB SER 8 1.617 16.530 -7.868
65 2HB SER 8 2HB SER 8 3.116 16.203 -6.993
66 HG SER 8 HG SER 8 3.412 16.522 -9.292
67 H GLY 9 H GLY 9 1.823 14.376 -9.742
68 1HA GLY 9 1HA GLY 9 0.270 13.582 -11.363
69 2HA GLY 9 2HA GLY 9 -0.914 13.228 -10.093
70 H THR 10 H THR 10 -1.044 15.614 -8.676
71 HA THR 10 HA THR 10 -2.669 17.274 -10.399
72 HB THR 10 HB THR 10 -2.797 18.511 -8.115
73 HG1 THR 10 HG1 THR 10 -1.818 17.529 -6.425
74 1HG2 THR 10 2HG2 THR 10 -3.424 15.526 -8.060
75 2HG2 THR 10 3HG2 THR 10 -4.083 16.768 -6.973
76 3HG2 THR 10 1HG2 THR 10 -4.487 16.806 -8.701
77 H TRP 11 H TRP 11 0.000 17.923 -8.167
78 HA TRP 11 HA TRP 11 0.890 20.348 -9.493
79 1HB TRP 11 1HB TRP 11 1.140 19.679 -7.062
80 2HB TRP 11 2HB TRP 11 2.485 18.652 -7.529
81 HD1 TRP 11 HD1 TRP 11 4.130 20.546 -9.408
82 HE1 TRP 11 HE1 TRP 11 5.252 22.654 -8.504
83 HE3 TRP 11 HE3 TRP 11 1.294 21.224 -5.214
84 HZ2 TRP 11 HZ2 TRP 11 4.932 24.437 -6.259
85 HZ3 TRP 11 HZ3 TRP 11 1.802 23.057 -3.642
86 HH2 TRP 11 HH2 TRP 11 3.707 24.569 -4.093
87 H SER 12 H SER 12 0.871 19.245 -11.704
88 HA SER 12 HA SER 12 2.882 17.260 -12.207
89 1HB SER 12 1HB SER 12 1.475 18.861 -14.363
90 2HB SER 12 2HB SER 12 1.860 17.136 -14.331
91 HG SER 12 HG SER 12 0.120 16.937 -12.768
92 H GLY 13 H GLY 13 4.523 18.971 -11.160
93 1HA GLY 13 1HA GLY 13 6.281 19.960 -13.221
94 2HA GLY 13 2HA GLY 13 5.373 21.279 -12.451
95 H VAL 14 H VAL 14 7.821 21.698 -11.978
96 HA VAL 14 HA VAL 14 9.199 20.261 -9.955
97 HB VAL 14 HB VAL 14 9.278 23.241 -10.612
98 1HG1 VAL 14 2HG1 VAL 14 11.287 21.469 -9.151
99 2HG1 VAL 14 3HG1 VAL 14 11.581 23.142 -9.666
100 3HG1 VAL 14 1HG1 VAL 14 10.352 22.806 -8.447
101 1HG2 VAL 14 3HG2 VAL 14 10.941 20.904 -11.666
102 2HG2 VAL 14 1HG2 VAL 14 9.808 21.891 -12.612
103 3HG2 VAL 14 2HG2 VAL 14 11.284 22.618 -11.974
104 H CYS 15 H CYS 15 9.081 20.364 -7.725
105 HA CYS 15 HA CYS 15 6.461 20.851 -6.736
106 1HB CYS 15 1HB CYS 15 7.158 19.836 -4.781
107 2HB CYS 15 2HB CYS 15 8.286 19.152 -5.962
108 H GLY 16 H GLY 16 9.329 22.902 -6.618
109 1HA GLY 16 1HA GLY 16 9.597 25.047 -5.837
110 2HA GLY 16 2HA GLY 16 7.877 25.110 -5.451
111 H ASN 17 H ASN 17 7.640 23.053 -3.510
112 HA ASN 17 HA ASN 17 9.466 23.549 -1.314
113 1HB ASN 17 1HB ASN 17 8.464 25.776 -1.365
114 2HB ASN 17 2HB ASN 17 6.842 25.081 -1.497
115 1HD2 ASN 17 2HD2 ASN 17 8.729 25.173 2.163
116 2HD2 ASN 17 1HD2 ASN 17 9.650 25.447 0.698
117 H ASN 18 H ASN 18 9.178 22.066 0.263
118 HA ASN 18 HA ASN 18 7.628 19.809 0.001
119 1HB ASN 18 1HB ASN 18 9.675 20.216 1.450
120 2HB ASN 18 2HB ASN 18 8.655 21.038 2.609
121 1HD2 ASN 18 1HD2 ASN 18 8.552 16.979 2.446
122 2HD2 ASN 18 2HD2 ASN 18 9.600 17.825 1.313
123 H ASN 19 H ASN 19 7.058 22.363 2.335
124 HA ASN 19 HA ASN 19 4.638 21.421 3.407
125 1HB ASN 19 1HB ASN 19 5.888 23.190 4.481
126 2HB ASN 19 2HB ASN 19 5.521 24.313 3.164
127 1HD2 ASN 19 2HD2 ASN 19 2.352 25.157 4.471
128 2HD2 ASN 19 1HD2 ASN 19 3.612 25.508 3.304
129 H ALA 20 H ALA 20 5.040 23.705 0.658
130 HA ALA 20 HA ALA 20 2.244 24.011 0.174
131 1HB ALA 20 3HB ALA 20 3.992 25.460 -0.842
132 2HB ALA 20 1HB ALA 20 4.488 24.098 -1.882
133 3HB ALA 20 2HB ALA 20 2.850 24.784 -2.020
134 H CYS 21 H CYS 21 4.643 21.819 -1.409
135 HA CYS 21 HA CYS 21 2.934 20.477 -3.116
136 1HB CYS 21 1HB CYS 21 5.182 19.919 -3.384
137 2HB CYS 21 2HB CYS 21 5.451 19.722 -1.652
138 H LYS 22 H LYS 22 3.848 19.557 0.183
139 HA LYS 22 HA LYS 22 2.297 17.307 0.729
140 1HB LYS 22 1HB LYS 22 4.053 18.163 2.158
141 2HB LYS 22 2HB LYS 22 3.184 19.667 2.442
142 1HG LYS 22 1HG LYS 22 1.387 18.410 3.643
143 2HG LYS 22 2HG LYS 22 2.331 16.953 3.486
144 1HD LYS 22 1HD LYS 22 2.748 19.444 5.127
145 2HD LYS 22 2HD LYS 22 2.871 17.772 5.655
146 1HE LYS 22 1HE LYS 22 4.919 19.363 4.019
147 2HE LYS 22 2HE LYS 22 5.044 18.980 5.728
148 1HZ LYS 22 2HZ LYS 22 4.976 16.939 3.609
149 2HZ LYS 22 3HZ LYS 22 6.349 17.594 4.164
150 3HZ LYS 22 1HZ LYS 22 5.380 16.707 5.173
151 H ASN 23 H ASN 23 1.470 20.707 1.572
152 HA ASN 23 HA ASN 23 -1.084 20.168 2.551
153 1HB ASN 23 1HB ASN 23 0.078 22.298 2.880
154 2HB ASN 23 2HB ASN 23 -0.034 22.689 1.163
155 1HD2 ASN 23 2HD2 ASN 23 -2.754 24.360 3.294
156 2HD2 ASN 23 1HD2 ASN 23 -1.041 24.129 3.593
157 H GLN 24 H GLN 24 -0.217 21.453 -0.698
158 HA GLN 24 HA GLN 24 -2.743 21.392 -1.866
159 1HB GLN 24 1HB GLN 24 -0.897 22.454 -2.945
160 2HB GLN 24 2HB GLN 24 0.055 20.981 -3.000
161 1HG GLN 24 1HG GLN 24 -2.575 21.368 -4.505
162 2HG GLN 24 2HG GLN 24 -1.007 21.766 -5.198
163 1HE2 GLN 24 2HE2 GLN 24 -0.035 18.122 -5.051
164 2HE2 GLN 24 1HE2 GLN 24 0.560 19.559 -4.253
165 H CYS 25 H CYS 25 -0.356 18.668 -1.785
166 HA CYS 25 HA CYS 25 -1.975 16.916 -3.280
167 1HB CYS 25 1HB CYS 25 0.335 16.311 -2.714
168 2HB CYS 25 2HB CYS 25 -0.091 16.186 -1.004
169 H ILE 26 H ILE 26 -1.727 17.080 0.330
170 HA ILE 26 HA ILE 26 -3.828 15.101 0.584
171 HB ILE 26 HB ILE 26 -3.553 15.322 2.934
172 1HG1 ILE 26 1HG1 ILE 26 -2.065 17.929 2.418
173 2HG1 ILE 26 2HG1 ILE 26 -3.633 17.743 3.209
174 1HG2 ILE 26 1HG2 ILE 26 -1.740 14.227 1.606
175 2HG2 ILE 26 2HG2 ILE 26 -0.813 15.736 1.645
176 3HG2 ILE 26 3HG2 ILE 26 -1.169 14.885 3.141
177 1HD1 ILE 26 2HD1 ILE 26 -2.509 16.378 5.001
178 2HD1 ILE 26 3HD1 ILE 26 -0.943 16.823 4.275
179 3HD1 ILE 26 1HD1 ILE 26 -2.010 18.080 4.915
180 H ASN 27 H ASN 27 -3.875 18.504 0.125
181 HA ASN 27 HA ASN 27 -6.477 19.003 1.328
182 1HB ASN 27 1HB ASN 27 -4.631 20.576 1.262
183 2HB ASN 27 2HB ASN 27 -4.676 20.635 -0.515
184 1HD2 ASN 27 2HD2 ASN 27 -6.361 23.610 0.951
185 2HD2 ASN 27 1HD2 ASN 27 -4.764 22.863 1.107
186 H LEU 28 H LEU 28 -5.210 19.100 -2.065
187 HA LEU 28 HA LEU 28 -7.859 19.182 -3.209
188 1HB LEU 28 1HB LEU 28 -5.046 18.912 -4.324
189 2HB LEU 28 2HB LEU 28 -6.459 18.641 -5.334
190 HG LEU 28 HG LEU 28 -7.337 20.876 -4.848
191 1HD1 LEU 28 1HD1 LEU 28 -4.743 21.272 -3.298
192 2HD1 LEU 28 2HD1 LEU 28 -5.821 22.582 -3.816
193 3HD1 LEU 28 3HD1 LEU 28 -6.398 21.385 -2.657
194 1HD2 LEU 28 1HD2 LEU 28 -5.934 20.474 -6.822
195 2HD2 LEU 28 2HD2 LEU 28 -5.659 22.105 -6.186
196 3HD2 LEU 28 3HD2 LEU 28 -4.471 20.820 -5.880
197 H GLU 29 H GLU 29 -5.325 16.597 -3.140
198 HA GLU 29 HA GLU 29 -7.466 14.619 -3.831
199 1HB GLU 29 1HB GLU 29 -5.619 13.014 -4.229
200 2HB GLU 29 2HB GLU 29 -5.739 14.349 -5.375
201 1HG GLU 29 1HG GLU 29 -3.893 15.525 -4.168
202 2HG GLU 29 2HG GLU 29 -3.695 14.071 -3.157
203 HE2 GLU 29 HE2 GLU 29 -1.508 14.352 -6.259
204 H LYS 30 H LYS 30 -7.013 12.510 -2.386
205 HA LYS 30 HA LYS 30 -7.106 13.619 0.384
206 1HB LYS 30 1HB LYS 30 -8.641 11.346 -0.833
207 2HB LYS 30 2HB LYS 30 -8.773 11.874 0.850
208 1HG LYS 30 1HG LYS 30 -9.269 13.859 -1.429
209 2HG LYS 30 2HG LYS 30 -10.479 12.700 -0.949
210 1HD LYS 30 1HD LYS 30 -10.904 14.850 0.068
211 2HD LYS 30 2HD LYS 30 -10.691 13.563 1.242
212 1HE LYS 30 1HE LYS 30 -9.727 15.651 2.045
213 2HE LYS 30 2HE LYS 30 -8.500 14.404 1.886
214 1HZ LYS 30 2HZ LYS 30 -7.894 15.510 -0.261
215 2HZ LYS 30 3HZ LYS 30 -8.860 16.777 0.097
216 3HZ LYS 30 1HZ LYS 30 -7.601 16.379 1.046
217 H ALA 31 H ALA 31 -4.785 12.372 -1.162
218 HA ALA 31 HA ALA 31 -3.693 10.176 0.164
219 1HB ALA 31 1HB ALA 31 -2.641 11.640 -1.654
220 2HB ALA 31 2HB ALA 31 -2.363 12.839 -0.383
221 3HB ALA 31 3HB ALA 31 -1.556 11.252 -0.301
222 H ARG 32 H ARG 32 -2.075 10.211 2.017
223 HA ARG 32 HA ARG 32 -3.442 11.647 4.255
224 1HB ARG 32 1HB ARG 32 -1.622 9.239 4.282
225 2HB ARG 32 2HB ARG 32 -2.458 9.935 5.677
226 1HG ARG 32 1HG ARG 32 -3.831 8.736 3.206
227 2HG ARG 32 2HG ARG 32 -3.574 7.932 4.749
228 1HD ARG 32 1HD ARG 32 -5.827 8.625 4.761
229 2HD ARG 32 2HD ARG 32 -4.943 9.677 5.876
230 HE ARG 32 HE ARG 32 -5.522 10.555 3.041
231 1HH1 ARG 32 1HH2 ARG 32 -6.599 10.871 6.365
232 2HH1 ARG 32 2HH2 ARG 32 -6.925 12.574 6.261
233 1HH2 ARG 32 1HH1 ARG 32 -5.639 12.793 2.946
234 2HH2 ARG 32 2HH1 ARG 32 -6.447 13.709 4.197
235 H HIS 33 H HIS 33 -0.043 10.881 3.431
236 HA HIS 33 HA HIS 33 0.626 13.597 4.463
237 1HB HIS 33 2HB HIS 33 2.960 12.712 4.868
238 2HB HIS 33 1HB HIS 33 1.707 12.354 6.050
239 HD1 HIS 33 HD1 HIS 33 0.535 9.863 5.735
240 HD2 HIS 33 HD2 HIS 33 4.461 10.451 4.399
241 HE1 HIS 33 HE1 HIS 33 1.624 7.580 5.582
242 H GLY 34 H GLY 34 2.478 14.553 3.324
243 1HA GLY 34 1HA GLY 34 3.144 13.530 0.726
244 2HA GLY 34 2HA GLY 34 2.164 15.010 0.657
245 H SER 35 H SER 35 4.871 14.906 -0.277
246 HA SER 35 HA SER 35 6.150 16.974 1.262
247 1HB SER 35 1HB SER 35 6.753 14.136 1.971
248 2HB SER 35 2HB SER 35 8.179 15.019 1.453
249 HG SER 35 HG SER 35 7.704 15.167 3.724
250 H CYS 36 H CYS 36 7.781 17.856 0.099
251 HA CYS 36 HA CYS 36 8.273 16.808 -2.622
252 1HB CYS 36 1HB CYS 36 7.914 19.230 -2.394
253 2HB CYS 36 2HB CYS 36 9.319 19.329 -1.296
254 H ASN 37 H ASN 37 10.145 15.874 -3.180
255 HA ASN 37 HA ASN 37 12.376 15.625 -1.197
256 1HB ASN 37 1HB ASN 37 11.422 13.420 -1.494
257 2HB ASN 37 2HB ASN 37 11.246 13.668 -3.239
258 1HD2 ASN 37 2HD2 ASN 37 15.096 13.075 -1.861
259 2HD2 ASN 37 1HD2 ASN 37 13.961 13.919 -0.820
260 H TYR 38 H TYR 38 14.517 15.720 -2.254
261 HA TYR 38 HA TYR 38 14.428 17.315 -4.722
262 1HB TYR 38 1HB TYR 38 15.838 18.242 -3.029
263 2HB TYR 38 2HB TYR 38 16.766 16.750 -2.904
264 HD1 TYR 38 HD2 TYR 38 15.555 18.952 -5.766
265 HD2 TYR 38 HD1 TYR 38 18.927 17.002 -3.912
266 HE1 TYR 38 HE2 TYR 38 16.829 19.162 -7.856
267 HE2 TYR 38 HE1 TYR 38 20.165 17.148 -6.053
268 HH TYR 38 HH TYR 38 18.615 18.348 -9.053
269 H VAL 39 H VAL 39 17.224 15.428 -4.426
270 HA VAL 39 HA VAL 39 18.305 14.199 -5.861
271 HB VAL 39 HB VAL 39 17.637 12.077 -6.454
272 1HG1 VAL 39 3HG1 VAL 39 17.954 12.480 -4.040
273 2HG1 VAL 39 1HG1 VAL 39 16.201 12.697 -3.848
274 3HG1 VAL 39 2HG1 VAL 39 16.850 11.131 -4.363
275 1HG2 VAL 39 2HG2 VAL 39 15.445 12.498 -7.535
276 2HG2 VAL 39 3HG2 VAL 39 15.469 11.106 -6.450
277 3HG2 VAL 39 1HG2 VAL 39 14.704 12.598 -5.917
278 H PHE 40 H PHE 40 18.543 13.450 -8.203
279 HA PHE 40 HA PHE 40 18.145 15.778 -9.701
280 1HB PHE 40 1HB PHE 40 19.244 14.674 -11.480
281 2HB PHE 40 2HB PHE 40 19.928 13.999 -10.024
282 HD1 PHE 40 HD1 PHE 40 19.290 11.626 -9.332
283 HD2 PHE 40 HD2 PHE 40 17.977 13.369 -13.063
284 HE1 PHE 40 HE1 PHE 40 18.549 9.402 -10.122
285 HE2 PHE 40 HE2 PHE 40 17.250 11.137 -13.841
286 HZ PHE 40 HZ PHE 40 17.521 9.153 -12.370
287 HA PRO 41 HA PRO 41 17.928 16.460 -11.889
288 1HB PRO 41 1HB PRO 41 16.377 17.897 -13.562
289 2HB PRO 41 2HB PRO 41 16.999 16.274 -13.980
290 1HG PRO 41 1HG PRO 41 14.220 16.988 -13.044
291 2HG PRO 41 2HG PRO 41 14.709 15.869 -14.337
292 1HD PRO 41 1HD PRO 41 14.084 15.055 -11.741
293 2HD PRO 41 2HD PRO 41 15.170 14.154 -12.827
294 H ALA 42 H ALA 42 14.524 17.270 -11.062
295 HA ALA 42 HA ALA 42 15.414 19.689 -9.557
296 1HB ALA 42 2HB ALA 42 14.326 20.188 -11.720
297 2HB ALA 42 3HB ALA 42 12.897 19.263 -11.206
298 3HB ALA 42 1HB ALA 42 13.362 20.746 -10.344
299 H HIS 43 H HIS 43 13.589 20.434 -8.083
300 HA HIS 43 HA HIS 43 13.109 18.475 -6.066
301 1HB HIS 43 2HB HIS 43 11.907 21.236 -6.474
302 2HB HIS 43 1HB HIS 43 11.876 20.325 -4.972
303 HD1 HIS 43 HD1 HIS 43 13.866 20.326 -3.429
304 HD2 HIS 43 HD2 HIS 43 14.604 22.234 -7.090
305 HE1 HIS 43 HE1 HIS 43 16.125 21.473 -3.245
306 H LYS 44 H LYS 44 11.434 17.100 -5.803
307 HA LYS 44 HA LYS 44 9.197 17.191 -7.786
308 1HB LYS 44 1HB LYS 44 9.430 14.755 -8.000
309 2HB LYS 44 2HB LYS 44 10.834 15.669 -8.571
310 1HG LYS 44 1HG LYS 44 12.003 15.151 -6.386
311 2HG LYS 44 2HG LYS 44 10.611 14.193 -5.909
312 1HD LYS 44 1HD LYS 44 12.358 12.752 -6.717
313 2HD LYS 44 2HD LYS 44 10.958 12.653 -7.784
314 1HE LYS 44 1HE LYS 44 13.167 12.680 -8.964
315 2HE LYS 44 2HE LYS 44 12.074 13.949 -9.514
316 1HZ LYS 44 1HZ LYS 44 14.136 14.465 -7.466
317 2HZ LYS 44 2HZ LYS 44 14.470 14.552 -9.046
318 3HZ LYS 44 3HZ LYS 44 13.360 15.563 -8.375
319 H CYS 45 H CYS 45 7.219 16.812 -7.068
320 HA CYS 45 HA CYS 45 6.785 16.779 -4.185
321 1HB CYS 45 1HB CYS 45 5.633 18.413 -5.550
322 2HB CYS 45 2HB CYS 45 4.963 17.158 -6.564
323 H ILE 46 H ILE 46 6.671 14.826 -3.134
324 HA ILE 46 HA ILE 46 5.493 12.462 -4.526
325 HB ILE 46 HB ILE 46 7.334 12.700 -2.112
326 1HG1 ILE 46 1HG1 ILE 46 8.576 13.138 -4.152
327 2HG1 ILE 46 2HG1 ILE 46 9.021 11.578 -3.468
328 1HG2 ILE 46 3HG2 ILE 46 6.088 10.237 -3.378
329 2HG2 ILE 46 1HG2 ILE 46 7.476 10.199 -2.265
330 3HG2 ILE 46 2HG2 ILE 46 5.924 10.810 -1.712
331 1HD1 ILE 46 1HD1 ILE 46 7.542 10.444 -5.163
332 2HD1 ILE 46 2HD1 ILE 46 7.223 12.037 -5.891
333 3HD1 ILE 46 3HD1 ILE 46 8.863 11.382 -5.874
334 H CYS 47 H CYS 47 3.797 11.309 -3.487
335 HA CYS 47 HA CYS 47 2.892 12.397 -0.927
336 1HB CYS 47 1HB CYS 47 1.854 13.669 -2.870
337 2HB CYS 47 2HB CYS 47 0.950 12.196 -3.225
338 H TYR 48 H TYR 48 1.536 11.078 0.323
339 HA TYR 48 HA TYR 48 2.108 8.210 -0.256
340 1HB TYR 48 1HB TYR 48 1.940 9.752 2.341
341 2HB TYR 48 2HB TYR 48 2.258 8.032 2.188
342 HD1 TYR 48 HD1 TYR 48 3.644 11.408 1.341
343 HD2 TYR 48 HD2 TYR 48 4.474 7.232 1.977
344 HE1 TYR 48 HE1 TYR 48 6.052 11.824 0.917
345 HE2 TYR 48 HE2 TYR 48 6.891 7.691 1.761
346 HH TYR 48 HH TYR 48 8.356 9.153 0.632
347 H PHE 49 H PHE 49 0.337 6.939 -0.548
348 HA PHE 49 HA PHE 49 -2.175 7.562 0.856
349 1HB PHE 49 1HB PHE 49 -2.127 6.191 -1.811
350 2HB PHE 49 2HB PHE 49 -3.392 7.031 -1.001
351 HD1 PHE 49 HD2 PHE 49 0.052 8.049 -2.302
352 HD2 PHE 49 HD1 PHE 49 -4.218 8.707 -2.426
353 HE1 PHE 49 HE2 PHE 49 0.399 10.063 -3.613
354 HE2 PHE 49 HE1 PHE 49 -3.848 10.448 -4.151
355 HZ PHE 49 HZ PHE 49 -1.491 11.072 -4.792
356 HA PRO 50 HA PRO 50 -1.577 3.232 2.107
357 1HB PRO 50 1HB PRO 50 -3.978 2.685 3.160
358 2HB PRO 50 2HB PRO 50 -2.891 3.915 3.869
359 1HG PRO 50 1HG PRO 50 -5.211 4.408 1.961
360 2HG PRO 50 2HG PRO 50 -4.917 5.205 3.533
361 1HD PRO 50 1HD PRO 50 -4.067 6.313 1.137
362 2HD PRO 50 2HD PRO 50 -3.092 6.446 2.660
363 H CYS 51 H CYS 51 -1.316 2.872 -0.222
364 HA CYS 51 HA CYS 51 -3.520 2.041 -1.890
365 1HB CYS 51 1HB CYS 51 -1.788 1.604 -3.545
366 2HB CYS 51 2HB CYS 51 -1.439 3.067 -2.666
No H/Q in entry = 366
Start of MODEL 18
1 HA PCA 1 HA PYR 1 -3.672 0.398 3.362
2 1HB PCA 1 1HB PYR 1 -2.559 -0.822 5.655
3 2HB PCA 1 2HB PYR 1 -4.174 -1.147 4.968
4 1HG PCA 1 1HG PYR 1 -1.703 -2.814 4.725
5 2HG PCA 1 2HG PYR 1 -3.421 -3.304 4.613
6 HN PCA 1 HN PYR 1 -2.613 -0.898 1.465
7 H LYS 2 H LYS 2 -0.425 -1.089 3.569
8 HA LYS 2 HA LYS 2 0.993 1.123 4.608
9 1HB LYS 2 1HB LYS 2 2.990 0.045 3.750
10 2HB LYS 2 2HB LYS 2 1.900 -1.119 4.474
11 1HG LYS 2 1HG LYS 2 2.587 -2.278 2.619
12 2HG LYS 2 2HG LYS 2 1.046 -1.620 2.079
13 1HD LYS 2 1HD LYS 2 2.611 -1.497 0.296
14 2HD LYS 2 2HD LYS 2 2.280 0.147 0.806
15 1HE LYS 2 1HE LYS 2 4.448 0.117 2.131
16 2HE LYS 2 2HE LYS 2 4.773 -1.488 1.449
17 1HZ LYS 2 3HZ LYS 2 4.683 -0.422 -0.743
18 2HZ LYS 2 1HZ LYS 2 4.387 1.032 -0.027
19 3HZ LYS 2 2HZ LYS 2 5.827 0.283 0.216
20 H LEU 3 H LEU 3 2.308 2.744 3.519
21 HA LEU 3 HA LEU 3 0.809 3.845 1.314
22 1HB LEU 3 1HB LEU 3 3.262 4.817 2.759
23 2HB LEU 3 2HB LEU 3 2.420 5.760 1.534
24 HG LEU 3 HG LEU 3 0.986 4.780 4.041
25 1HD1 LEU 3 2HD1 LEU 3 2.933 6.189 4.703
26 2HD1 LEU 3 3HD1 LEU 3 2.389 7.460 3.593
27 3HD1 LEU 3 1HD1 LEU 3 1.393 7.016 4.990
28 1HD2 LEU 3 3HD2 LEU 3 0.387 7.000 2.056
29 2HD2 LEU 3 1HD2 LEU 3 -0.485 5.457 2.216
30 3HD2 LEU 3 2HD2 LEU 3 -0.534 6.635 3.528
31 H CYS 4 H CYS 4 1.689 4.638 -0.658
32 HA CYS 4 HA CYS 4 4.332 3.702 -1.564
33 1HB CYS 4 1HB CYS 4 1.698 3.035 -2.895
34 2HB CYS 4 2HB CYS 4 3.134 3.330 -3.871
35 H GLU 5 H GLU 5 5.258 5.147 -2.945
36 HA GLU 5 HA GLU 5 4.263 7.867 -2.786
37 1HB GLU 5 1HB GLU 5 6.831 6.657 -3.927
38 2HB GLU 5 2HB GLU 5 6.482 8.372 -3.754
39 1HG GLU 5 1HG GLU 5 7.810 7.890 -1.899
40 2HG GLU 5 2HG GLU 5 6.167 7.983 -1.262
41 HE2 GLU 5 HE2 GLU 5 7.617 5.116 0.334
42 H ARG 6 H ARG 6 3.540 9.119 -4.459
43 HA ARG 6 HA ARG 6 3.987 8.280 -7.275
44 1HB ARG 6 1HB ARG 6 1.450 8.134 -6.007
45 2HB ARG 6 2HB ARG 6 1.467 9.723 -6.777
46 1HG ARG 6 1HG ARG 6 2.241 8.109 -8.874
47 2HG ARG 6 2HG ARG 6 1.242 7.025 -7.915
48 1HD ARG 6 1HD ARG 6 -0.108 8.120 -9.574
49 2HD ARG 6 2HD ARG 6 -0.600 8.679 -7.959
50 HE ARG 6 HE ARG 6 1.269 10.575 -8.829
51 1HH1 ARG 6 2HH2 ARG 6 -1.889 9.432 -9.913
52 2HH1 ARG 6 1HH2 ARG 6 -2.342 10.963 -10.614
53 1HH2 ARG 6 1HH1 ARG 6 0.729 12.563 -9.830
54 2HH2 ARG 6 2HH1 ARG 6 -0.898 12.823 -10.374
55 HA PRO 7 HA PRO 7 4.989 12.746 -7.145
56 1HB PRO 7 1HB PRO 7 4.491 13.479 -9.751
57 2HB PRO 7 2HB PRO 7 5.970 12.632 -9.236
58 1HG PRO 7 1HG PRO 7 3.482 11.444 -10.468
59 2HG PRO 7 2HG PRO 7 5.185 11.116 -10.902
60 1HD PRO 7 1HD PRO 7 3.755 9.482 -9.288
61 2HD PRO 7 2HD PRO 7 5.480 9.733 -8.959
62 H SER 8 H SER 8 3.457 14.244 -6.390
63 HA SER 8 HA SER 8 1.114 13.270 -5.550
64 1HB SER 8 1HB SER 8 0.397 15.403 -4.856
65 2HB SER 8 2HB SER 8 2.173 15.407 -4.788
66 HG SER 8 HG SER 8 2.130 16.542 -6.785
67 H GLY 9 H GLY 9 -1.006 13.228 -5.907
68 1HA GLY 9 1HA GLY 9 -2.128 12.270 -8.122
69 2HA GLY 9 2HA GLY 9 -3.013 13.304 -7.015
70 H THR 10 H THR 10 -2.320 15.741 -7.299
71 HA THR 10 HA THR 10 -3.078 16.553 -10.025
72 HB THR 10 HB THR 10 -3.105 18.806 -8.787
73 HG1 THR 10 HG1 THR 10 -2.810 18.779 -6.647
74 1HG2 THR 10 3HG2 THR 10 -4.803 16.546 -7.625
75 2HG2 THR 10 1HG2 THR 10 -5.136 18.283 -7.468
76 3HG2 THR 10 2HG2 THR 10 -5.181 17.511 -9.068
77 H TRP 11 H TRP 11 -0.766 17.832 -7.675
78 HA TRP 11 HA TRP 11 0.813 19.113 -9.731
79 1HB TRP 11 1HB TRP 11 0.271 20.126 -7.583
80 2HB TRP 11 2HB TRP 11 1.172 18.896 -6.725
81 HD1 TRP 11 HD1 TRP 11 3.411 19.864 -9.444
82 HE1 TRP 11 HE1 TRP 11 5.149 21.608 -8.584
83 HE3 TRP 11 HE3 TRP 11 1.108 21.354 -5.127
84 HZ2 TRP 11 HZ2 TRP 11 5.442 23.398 -6.417
85 HZ3 TRP 11 HZ3 TRP 11 2.145 23.040 -3.670
86 HH2 TRP 11 HH2 TRP 11 4.353 24.029 -4.269
87 H SER 12 H SER 12 1.209 16.902 -10.787
88 HA SER 12 HA SER 12 3.533 15.457 -9.635
89 1HB SER 12 1HB SER 12 1.988 15.186 -12.249
90 2HB SER 12 2HB SER 12 3.382 14.183 -11.821
91 HG SER 12 HG SER 12 1.263 14.492 -9.992
92 H GLY 13 H GLY 13 4.669 17.590 -9.488
93 1HA GLY 13 1HA GLY 13 6.456 17.969 -11.778
94 2HA GLY 13 2HA GLY 13 5.332 19.311 -11.486
95 H VAL 14 H VAL 14 7.393 20.456 -11.200
96 HA VAL 14 HA VAL 14 9.246 19.834 -9.185
97 HB VAL 14 HB VAL 14 8.653 22.515 -10.479
98 1HG1 VAL 14 2HG1 VAL 14 10.108 22.748 -8.471
99 2HG1 VAL 14 3HG1 VAL 14 11.231 21.560 -9.169
100 3HG1 VAL 14 1HG1 VAL 14 10.964 23.115 -9.970
101 1HG2 VAL 14 1HG2 VAL 14 10.590 20.293 -11.289
102 2HG2 VAL 14 2HG2 VAL 14 9.163 20.818 -12.207
103 3HG2 VAL 14 3HG2 VAL 14 10.538 21.909 -12.021
104 H CYS 15 H CYS 15 9.303 20.381 -7.029
105 HA CYS 15 HA CYS 15 6.834 21.585 -5.857
106 1HB CYS 15 1HB CYS 15 7.561 20.630 -3.721
107 2HB CYS 15 2HB CYS 15 7.259 19.458 -4.989
108 H GLY 16 H GLY 16 10.401 21.719 -5.325
109 1HA GLY 16 1HA GLY 16 11.695 23.438 -4.480
110 2HA GLY 16 2HA GLY 16 10.329 24.550 -4.623
111 H ASN 17 H ASN 17 8.421 23.292 -3.010
112 HA ASN 17 HA ASN 17 9.629 23.458 -0.274
113 1HB ASN 17 1HB ASN 17 8.685 25.615 -0.916
114 2HB ASN 17 2HB ASN 17 7.153 24.840 -1.353
115 1HD2 ASN 17 2HD2 ASN 17 8.132 25.324 2.636
116 2HD2 ASN 17 1HD2 ASN 17 9.386 25.420 1.415
117 H ASN 18 H ASN 18 9.136 21.813 1.022
118 HA ASN 18 HA ASN 18 7.514 19.636 0.743
119 1HB ASN 18 1HB ASN 18 9.185 19.918 2.482
120 2HB ASN 18 2HB ASN 18 8.365 21.305 3.157
121 1HD2 ASN 18 2HD2 ASN 18 6.857 17.599 3.978
122 2HD2 ASN 18 1HD2 ASN 18 8.059 17.700 2.727
123 H ASN 19 H ASN 19 6.748 22.444 2.687
124 HA ASN 19 HA ASN 19 4.301 21.545 3.559
125 1HB ASN 19 1HB ASN 19 5.506 23.417 4.610
126 2HB ASN 19 2HB ASN 19 5.024 24.481 3.275
127 1HD2 ASN 19 2HD2 ASN 19 1.967 25.213 4.911
128 2HD2 ASN 19 1HD2 ASN 19 3.295 25.771 3.915
129 H ALA 20 H ALA 20 4.814 23.728 0.786
130 HA ALA 20 HA ALA 20 2.070 24.089 0.102
131 1HB ALA 20 2HB ALA 20 3.888 25.419 -0.917
132 2HB ALA 20 3HB ALA 20 4.468 23.970 -1.781
133 3HB ALA 20 1HB ALA 20 2.864 24.642 -2.140
134 H CYS 21 H CYS 21 4.478 21.784 -1.243
135 HA CYS 21 HA CYS 21 2.809 20.348 -2.963
136 1HB CYS 21 1HB CYS 21 5.159 19.986 -3.054
137 2HB CYS 21 2HB CYS 21 5.246 19.547 -1.343
138 H LYS 22 H LYS 22 3.639 19.577 0.412
139 HA LYS 22 HA LYS 22 2.017 17.357 0.866
140 1HB LYS 22 1HB LYS 22 3.743 18.164 2.410
141 2HB LYS 22 2HB LYS 22 2.833 19.636 2.710
142 1HG LYS 22 1HG LYS 22 1.021 18.351 3.808
143 2HG LYS 22 2HG LYS 22 1.799 16.844 3.348
144 1HD LYS 22 1HD LYS 22 2.182 17.448 5.738
145 2HD LYS 22 2HD LYS 22 3.660 17.211 4.807
146 1HE LYS 22 1HE LYS 22 3.768 19.170 6.366
147 2HE LYS 22 2HE LYS 22 4.119 19.553 4.684
148 1HZ LYS 22 1HZ LYS 22 1.868 20.398 4.470
149 2HZ LYS 22 2HZ LYS 22 1.550 20.061 6.053
150 3HZ LYS 22 3HZ LYS 22 2.668 21.195 5.641
151 H ASN 23 H ASN 23 1.228 20.767 1.646
152 HA ASN 23 HA ASN 23 -1.397 20.272 2.596
153 1HB ASN 23 1HB ASN 23 -0.357 22.401 3.081
154 2HB ASN 23 2HB ASN 23 -0.056 22.716 1.367
155 1HD2 ASN 23 2HD2 ASN 23 -2.882 24.823 1.461
156 2HD2 ASN 23 1HD2 ASN 23 -1.140 24.721 1.312
157 H GLN 24 H GLN 24 -0.434 21.658 -0.577
158 HA GLN 24 HA GLN 24 -2.973 21.604 -1.787
159 1HB GLN 24 1HB GLN 24 -0.943 22.776 -2.591
160 2HB GLN 24 2HB GLN 24 -0.167 21.247 -2.971
161 1HG GLN 24 1HG GLN 24 -2.729 22.323 -4.253
162 2HG GLN 24 2HG GLN 24 -1.113 22.500 -4.939
163 1HE2 GLN 24 2HE2 GLN 24 -0.932 18.755 -5.401
164 2HE2 GLN 24 1HE2 GLN 24 -0.043 19.898 -4.414
165 H CYS 25 H CYS 25 -0.505 18.945 -1.759
166 HA CYS 25 HA CYS 25 -2.013 17.223 -3.364
167 1HB CYS 25 1HB CYS 25 0.247 16.596 -2.723
168 2HB CYS 25 2HB CYS 25 -0.226 16.444 -1.030
169 H ILE 26 H ILE 26 -1.975 17.220 0.281
170 HA ILE 26 HA ILE 26 -4.104 15.223 0.219
171 HB ILE 26 HB ILE 26 -3.898 15.103 2.551
172 1HG1 ILE 26 1HG1 ILE 26 -2.424 17.767 2.469
173 2HG1 ILE 26 2HG1 ILE 26 -3.983 17.418 3.231
174 1HG2 ILE 26 3HG2 ILE 26 -1.990 14.308 1.040
175 2HG2 ILE 26 1HG2 ILE 26 -1.080 15.724 1.588
176 3HG2 ILE 26 2HG2 ILE 26 -1.607 14.502 2.755
177 1HD1 ILE 26 3HD1 ILE 26 -2.826 15.822 4.781
178 2HD1 ILE 26 1HD1 ILE 26 -1.270 16.366 4.112
179 3HD1 ILE 26 2HD1 ILE 26 -2.319 17.514 4.953
180 H ASN 27 H ASN 27 -4.040 18.649 0.143
181 HA ASN 27 HA ASN 27 -6.600 19.131 1.430
182 1HB ASN 27 1HB ASN 27 -4.715 20.669 1.396
183 2HB ASN 27 2HB ASN 27 -4.870 20.890 -0.365
184 1HD2 ASN 27 2HD2 ASN 27 -6.564 23.598 1.733
185 2HD2 ASN 27 1HD2 ASN 27 -4.985 22.811 1.871
186 H LEU 28 H LEU 28 -5.357 19.198 -1.985
187 HA LEU 28 HA LEU 28 -8.077 19.202 -3.057
188 1HB LEU 28 1HB LEU 28 -5.295 19.117 -4.248
189 2HB LEU 28 2HB LEU 28 -6.696 18.627 -5.199
190 HG LEU 28 HG LEU 28 -7.806 20.830 -4.610
191 1HD1 LEU 28 1HD1 LEU 28 -4.988 21.493 -3.647
192 2HD1 LEU 28 2HD1 LEU 28 -6.252 22.692 -3.985
193 3HD1 LEU 28 3HD1 LEU 28 -6.476 21.530 -2.675
194 1HD2 LEU 28 1HD2 LEU 28 -6.800 20.389 -6.802
195 2HD2 LEU 28 2HD2 LEU 28 -6.578 22.078 -6.317
196 3HD2 LEU 28 3HD2 LEU 28 -5.224 20.940 -6.205
197 H GLU 29 H GLU 29 -5.423 16.697 -3.397
198 HA GLU 29 HA GLU 29 -7.628 14.724 -3.782
199 1HB GLU 29 1HB GLU 29 -5.955 13.179 -4.501
200 2HB GLU 29 2HB GLU 29 -5.920 14.640 -5.470
201 1HG GLU 29 1HG GLU 29 -3.959 14.322 -3.174
202 2HG GLU 29 2HG GLU 29 -3.726 13.436 -4.671
203 HE1 GLU 29 HE2 GLU 29 -3.685 17.296 -5.572
204 H LYS 30 H LYS 30 -6.778 12.442 -2.599
205 HA LYS 30 HA LYS 30 -6.751 13.290 0.263
206 1HB LYS 30 1HB LYS 30 -8.406 11.175 -1.111
207 2HB LYS 30 2HB LYS 30 -8.347 11.409 0.644
208 1HG LYS 30 1HG LYS 30 -9.119 13.627 -1.315
209 2HG LYS 30 2HG LYS 30 -10.275 12.564 -0.541
210 1HD LYS 30 1HD LYS 30 -10.120 13.520 1.492
211 2HD LYS 30 2HD LYS 30 -8.418 13.894 1.403
212 1HE LYS 30 1HE LYS 30 -10.608 15.475 -0.027
213 2HE LYS 30 2HE LYS 30 -9.866 15.889 1.523
214 1HZ LYS 30 1HZ LYS 30 -7.679 15.984 0.267
215 2HZ LYS 30 2HZ LYS 30 -8.555 15.952 -1.113
216 3HZ LYS 30 3HZ LYS 30 -8.772 17.156 -0.066
217 H ALA 31 H ALA 31 -4.509 12.280 -1.485
218 HA ALA 31 HA ALA 31 -3.341 9.963 -0.366
219 1HB ALA 31 3HB ALA 31 -2.362 11.393 -2.197
220 2HB ALA 31 1HB ALA 31 -2.186 12.677 -0.985
221 3HB ALA 31 2HB ALA 31 -1.214 11.193 -0.851
222 H ARG 32 H ARG 32 -1.618 9.963 1.420
223 HA ARG 32 HA ARG 32 -2.894 11.271 3.782
224 1HB ARG 32 1HB ARG 32 -0.980 8.938 3.654
225 2HB ARG 32 2HB ARG 32 -1.843 9.514 5.083
226 1HG ARG 32 1HG ARG 32 -3.142 8.311 2.589
227 2HG ARG 32 2HG ARG 32 -2.808 7.478 4.104
228 1HD ARG 32 1HD ARG 32 -5.123 8.011 4.124
229 2HD ARG 32 2HD ARG 32 -4.293 9.024 5.316
230 HE ARG 32 HE ARG 32 -4.950 10.073 2.555
231 1HH1 ARG 32 1HH2 ARG 32 -5.988 10.091 5.905
232 2HH1 ARG 32 2HH2 ARG 32 -6.426 11.771 5.922
233 1HH2 ARG 32 2HH1 ARG 32 -5.224 12.300 2.610
234 2HH2 ARG 32 1HH1 ARG 32 -6.080 13.068 3.927
235 H HIS 33 H HIS 33 0.452 10.669 2.611
236 HA HIS 33 HA HIS 33 1.233 13.115 4.180
237 1HB HIS 33 2HB HIS 33 3.201 11.063 3.179
238 2HB HIS 33 1HB HIS 33 3.464 12.392 4.291
239 HD1 HIS 33 HD1 HIS 33 0.557 10.963 5.710
240 HD2 HIS 33 HD2 HIS 33 4.544 9.739 5.367
241 HE1 HIS 33 HE1 HIS 33 0.868 9.030 7.323
242 H GLY 34 H GLY 34 2.862 14.436 2.995
243 1HA GLY 34 1HA GLY 34 3.428 13.825 0.278
244 2HA GLY 34 2HA GLY 34 2.374 15.249 0.404
245 H SER 35 H SER 35 5.169 15.155 -0.527
246 HA SER 35 HA SER 35 6.354 17.129 1.160
247 1HB SER 35 1HB SER 35 6.867 15.088 2.585
248 2HB SER 35 2HB SER 35 7.706 14.375 1.204
249 HG SER 35 HG SER 35 9.176 15.485 2.537
250 H CYS 36 H CYS 36 8.724 17.348 0.448
251 HA CYS 36 HA CYS 36 8.575 17.591 -2.531
252 1HB CYS 36 1HB CYS 36 8.249 19.681 -1.412
253 2HB CYS 36 2HB CYS 36 9.692 19.443 -0.392
254 H ASN 37 H ASN 37 9.809 15.875 -3.185
255 HA ASN 37 HA ASN 37 12.170 15.047 -1.573
256 1HB ASN 37 1HB ASN 37 10.501 13.393 -2.367
257 2HB ASN 37 2HB ASN 37 10.873 13.845 -4.049
258 1HD2 ASN 37 2HD2 ASN 37 13.870 11.936 -4.161
259 2HD2 ASN 37 1HD2 ASN 37 13.055 13.283 -4.935
260 H TYR 38 H TYR 38 14.302 14.923 -2.575
261 HA TYR 38 HA TYR 38 14.616 16.759 -4.878
262 1HB TYR 38 1HB TYR 38 16.203 17.074 -3.082
263 2HB TYR 38 2HB TYR 38 16.774 15.418 -3.251
264 HD1 TYR 38 HD1 TYR 38 16.042 18.330 -5.603
265 HD2 TYR 38 HD2 TYR 38 18.903 15.344 -4.370
266 HE1 TYR 38 HE1 TYR 38 17.270 18.631 -7.711
267 HE2 TYR 38 HE2 TYR 38 20.082 15.606 -6.534
268 HH TYR 38 HH TYR 38 18.773 17.665 -9.158
269 H VAL 39 H VAL 39 16.939 14.325 -4.999
270 HA VAL 39 HA VAL 39 17.529 12.893 -6.596
271 HB VAL 39 HB VAL 39 14.554 12.232 -6.762
272 1HG1 VAL 39 1HG1 VAL 39 16.907 10.841 -8.090
273 2HG1 VAL 39 2HG1 VAL 39 15.275 10.169 -7.920
274 3HG1 VAL 39 3HG1 VAL 39 15.522 11.609 -8.907
275 1HG2 VAL 39 3HG2 VAL 39 15.813 11.700 -4.613
276 2HG2 VAL 39 1HG2 VAL 39 15.207 10.273 -5.475
277 3HG2 VAL 39 2HG2 VAL 39 16.922 10.717 -5.577
278 H PHE 40 H PHE 40 17.799 12.809 -8.952
279 HA PHE 40 HA PHE 40 17.764 15.385 -10.031
280 1HB PHE 40 1HB PHE 40 18.641 14.414 -12.018
281 2HB PHE 40 2HB PHE 40 19.235 13.435 -10.702
282 HD1 PHE 40 HD1 PHE 40 18.312 11.099 -10.368
283 HD2 PHE 40 HD2 PHE 40 17.103 13.580 -13.694
284 HE1 PHE 40 HE1 PHE 40 17.194 9.160 -11.422
285 HE2 PHE 40 HE2 PHE 40 16.005 11.628 -14.741
286 HZ PHE 40 HZ PHE 40 16.031 9.421 -13.601
287 HA PRO 41 HA PRO 41 17.665 16.410 -12.120
288 1HB PRO 41 1HB PRO 41 16.377 18.326 -13.507
289 2HB PRO 41 2HB PRO 41 16.680 16.695 -14.176
290 1HG PRO 41 1HG PRO 41 14.100 17.749 -13.012
291 2HG PRO 41 2HG PRO 41 14.345 16.781 -14.485
292 1HD PRO 41 1HD PRO 41 13.633 15.683 -12.023
293 2HD PRO 41 2HD PRO 41 14.529 14.792 -13.277
294 H ALA 42 H ALA 42 14.474 17.627 -11.007
295 HA ALA 42 HA ALA 42 15.792 19.571 -9.164
296 1HB ALA 42 3HB ALA 42 14.797 20.654 -11.151
297 2HB ALA 42 1HB ALA 42 13.235 19.892 -10.780
298 3HB ALA 42 2HB ALA 42 13.932 21.087 -9.667
299 H HIS 43 H HIS 43 14.101 20.331 -7.506
300 HA HIS 43 HA HIS 43 13.268 18.116 -5.917
301 1HB HIS 43 2HB HIS 43 12.641 21.088 -5.795
302 2HB HIS 43 1HB HIS 43 12.137 19.955 -4.564
303 HD1 HIS 43 HD1 HIS 43 15.169 21.847 -5.642
304 HD2 HIS 43 HD2 HIS 43 14.148 18.787 -2.960
305 HE1 HIS 43 HE1 HIS 43 17.139 21.522 -4.080
306 H LYS 44 H LYS 44 11.357 17.054 -5.878
307 HA LYS 44 HA LYS 44 9.205 17.863 -7.790
308 1HB LYS 44 1HB LYS 44 9.021 15.511 -8.449
309 2HB LYS 44 2HB LYS 44 10.600 16.217 -8.821
310 1HG LYS 44 1HG LYS 44 11.501 15.122 -6.688
311 2HG LYS 44 2HG LYS 44 9.929 14.363 -6.492
312 1HD LYS 44 1HD LYS 44 11.491 12.806 -7.485
313 2HD LYS 44 2HD LYS 44 10.172 13.152 -8.603
314 1HE LYS 44 1HE LYS 44 12.470 13.011 -9.636
315 2HE LYS 44 2HE LYS 44 11.594 14.492 -10.024
316 1HZ LYS 44 1HZ LYS 44 13.543 14.401 -7.805
317 2HZ LYS 44 2HZ LYS 44 14.010 14.666 -9.327
318 3HZ LYS 44 3HZ LYS 44 12.993 15.716 -8.590
319 H CYS 45 H CYS 45 7.114 17.570 -7.173
320 HA CYS 45 HA CYS 45 6.651 17.305 -4.325
321 1HB CYS 45 1HB CYS 45 5.343 18.936 -5.687
322 2HB CYS 45 2HB CYS 45 4.740 17.618 -6.660
323 H ILE 46 H ILE 46 6.792 15.289 -3.432
324 HA ILE 46 HA ILE 46 5.586 12.952 -4.847
325 HB ILE 46 HB ILE 46 7.374 13.157 -2.397
326 1HG1 ILE 46 1HG1 ILE 46 8.616 13.539 -4.440
327 2HG1 ILE 46 2HG1 ILE 46 9.035 11.974 -3.738
328 1HG2 ILE 46 1HG2 ILE 46 6.059 10.718 -3.653
329 2HG2 ILE 46 2HG2 ILE 46 7.438 10.634 -2.534
330 3HG2 ILE 46 3HG2 ILE 46 5.905 11.302 -1.993
331 1HD1 ILE 46 2HD1 ILE 46 7.538 10.864 -5.437
332 2HD1 ILE 46 3HD1 ILE 46 7.294 12.460 -6.191
333 3HD1 ILE 46 1HD1 ILE 46 8.907 11.746 -6.127
334 H CYS 47 H CYS 47 3.864 11.854 -3.974
335 HA CYS 47 HA CYS 47 2.926 12.698 -1.336
336 1HB CYS 47 1HB CYS 47 1.702 13.903 -3.274
337 2HB CYS 47 2HB CYS 47 0.829 12.365 -3.438
338 H TYR 48 H TYR 48 1.730 11.156 -0.222
339 HA TYR 48 HA TYR 48 2.573 8.402 -1.008
340 1HB TYR 48 1HB TYR 48 2.230 9.669 1.721
341 2HB TYR 48 2HB TYR 48 2.720 8.019 1.387
342 HD1 TYR 48 HD1 TYR 48 3.815 11.565 0.650
343 HD2 TYR 48 HD2 TYR 48 5.007 7.507 1.491
344 HE1 TYR 48 HE1 TYR 48 6.172 12.271 0.675
345 HE2 TYR 48 HE2 TYR 48 7.363 8.238 1.600
346 HH TYR 48 HH TYR 48 8.844 10.000 1.341
347 H PHE 49 H PHE 49 0.895 7.077 -1.468
348 HA PHE 49 HA PHE 49 -1.818 7.705 -0.412
349 1HB PHE 49 1HB PHE 49 -1.066 6.274 -2.972
350 2HB PHE 49 2HB PHE 49 -2.638 6.781 -2.504
351 HD1 PHE 49 HD1 PHE 49 0.747 8.375 -3.206
352 HD2 PHE 49 HD2 PHE 49 -3.544 8.551 -3.730
353 HE1 PHE 49 HE1 PHE 49 0.998 10.296 -4.686
354 HE2 PHE 49 HE2 PHE 49 -3.220 10.207 -5.535
355 HZ PHE 49 HZ PHE 49 -0.897 10.905 -6.169
356 HA PRO 50 HA PRO 50 -1.661 3.441 1.171
357 1HB PRO 50 1HB PRO 50 -4.236 2.579 0.699
358 2HB PRO 50 2HB PRO 50 -3.779 3.684 2.026
359 1HG PRO 50 1HG PRO 50 -4.883 4.420 -0.698
360 2HG PRO 50 2HG PRO 50 -5.427 5.014 0.899
361 1HD PRO 50 1HD PRO 50 -3.707 6.451 -0.651
362 2HD PRO 50 2HD PRO 50 -3.462 6.379 1.136
363 H CYS 51 H CYS 51 -0.779 1.734 0.112
364 HA CYS 51 HA CYS 51 -0.539 1.910 -2.737
365 1HB CYS 51 1HB CYS 51 1.207 1.310 -1.013
366 2HB CYS 51 2HB CYS 51 0.514 -0.314 -0.963
No H/Q in entry = 366
Start of MODEL 19
1 HA PCA 1 HA PYR 1 -1.611 0.670 6.560
2 1HB PCA 1 1HB PYR 1 -2.535 0.590 3.684
3 2HB PCA 1 2HB PYR 1 -2.652 -0.698 4.920
4 1HG PCA 1 1HG PYR 1 -4.793 0.944 4.220
5 2HG PCA 1 2HG PYR 1 -4.582 0.315 5.883
6 HN PCA 1 HN PYR 1 -2.115 3.265 6.209
7 H LYS 2 H LYS 2 -0.058 -0.387 4.651
8 HA LYS 2 HA LYS 2 2.239 1.217 4.597
9 1HB LYS 2 1HB LYS 2 2.211 -1.257 4.305
10 2HB LYS 2 2HB LYS 2 1.467 -1.044 2.723
11 1HG LYS 2 1HG LYS 2 3.705 0.559 2.401
12 2HG LYS 2 2HG LYS 2 4.280 -0.494 3.671
13 1HD LYS 2 1HD LYS 2 4.920 -1.241 1.416
14 2HD LYS 2 2HD LYS 2 3.985 -2.462 2.277
15 1HE LYS 2 1HE LYS 2 3.472 -2.033 -0.239
16 2HE LYS 2 2HE LYS 2 2.120 -2.232 0.874
17 1HZ LYS 2 3HZ LYS 2 3.085 0.429 -0.050
18 2HZ LYS 2 1HZ LYS 2 1.740 -0.401 -0.575
19 3HZ LYS 2 2HZ LYS 2 1.805 0.117 0.917
20 H LEU 3 H LEU 3 2.660 3.036 3.456
21 HA LEU 3 HA LEU 3 0.999 4.025 1.412
22 1HB LEU 3 1HB LEU 3 3.827 4.784 2.093
23 2HB LEU 3 2HB LEU 3 2.719 5.744 1.120
24 HG LEU 3 HG LEU 3 2.206 5.031 4.047
25 1HD1 LEU 3 1HD1 LEU 3 4.214 6.438 3.802
26 2HD1 LEU 3 2HD1 LEU 3 3.292 7.602 2.831
27 3HD1 LEU 3 3HD1 LEU 3 2.873 7.330 4.536
28 1HD2 LEU 3 3HD2 LEU 3 0.859 6.997 2.135
29 2HD2 LEU 3 1HD2 LEU 3 0.127 5.544 2.858
30 3HD2 LEU 3 2HD2 LEU 3 0.566 6.912 3.882
31 H CYS 4 H CYS 4 1.464 4.540 -0.749
32 HA CYS 4 HA CYS 4 3.717 3.274 -2.195
33 1HB CYS 4 1HB CYS 4 0.808 3.382 -3.127
34 2HB CYS 4 2HB CYS 4 2.179 2.975 -4.143
35 H GLU 5 H GLU 5 4.490 4.770 -3.766
36 HA GLU 5 HA GLU 5 3.662 7.558 -3.418
37 1HB GLU 5 1HB GLU 5 5.744 6.227 -5.209
38 2HB GLU 5 2HB GLU 5 5.459 7.970 -5.101
39 1HG GLU 5 1HG GLU 5 6.002 7.956 -2.719
40 2HG GLU 5 2HG GLU 5 6.315 6.208 -2.761
41 HE2 GLU 5 HE2 GLU 5 9.587 7.507 -3.074
42 H ARG 6 H ARG 6 2.718 8.835 -5.025
43 HA ARG 6 HA ARG 6 2.098 7.577 -7.658
44 1HB ARG 6 1HB ARG 6 0.074 7.826 -5.930
45 2HB ARG 6 2HB ARG 6 0.070 9.486 -6.576
46 1HG ARG 6 1HG ARG 6 0.063 8.428 -8.893
47 2HG ARG 6 2HG ARG 6 -0.250 6.885 -8.049
48 1HD ARG 6 1HD ARG 6 -2.392 7.627 -8.628
49 2HD ARG 6 2HD ARG 6 -2.214 8.111 -6.927
50 HE ARG 6 HE ARG 6 -1.387 10.099 -8.972
51 1HH1 ARG 6 1HH2 ARG 6 -4.100 9.076 -6.899
52 2HH1 ARG 6 2HH2 ARG 6 -4.713 10.723 -6.811
53 1HH2 ARG 6 1HH1 ARG 6 -2.387 12.121 -9.011
54 2HH2 ARG 6 2HH1 ARG 6 -3.809 12.382 -8.035
55 HA PRO 7 HA PRO 7 4.827 11.289 -7.872
56 1HB PRO 7 1HB PRO 7 4.989 10.112 -10.666
57 2HB PRO 7 2HB PRO 7 6.280 10.899 -9.710
58 1HG PRO 7 1HG PRO 7 6.159 8.197 -9.796
59 2HG PRO 7 2HG PRO 7 6.403 9.006 -8.219
60 1HD PRO 7 1HD PRO 7 3.831 7.895 -9.365
61 2HD PRO 7 2HD PRO 7 4.501 7.731 -7.716
62 H SER 8 H SER 8 2.559 10.288 -10.541
63 HA SER 8 HA SER 8 1.835 13.016 -11.148
64 1HB SER 8 1HB SER 8 0.245 10.478 -11.689
65 2HB SER 8 2HB SER 8 0.180 12.020 -12.562
66 HG SER 8 HG SER 8 2.427 11.609 -13.108
67 H GLY 9 H GLY 9 1.528 13.773 -8.911
68 1HA GLY 9 1HA GLY 9 -0.731 12.739 -7.357
69 2HA GLY 9 2HA GLY 9 0.302 14.122 -6.972
70 H THR 10 H THR 10 -0.381 16.110 -7.451
71 HA THR 10 HA THR 10 -2.631 16.609 -9.374
72 HB THR 10 HB THR 10 -2.851 18.770 -7.947
73 HG1 THR 10 HG1 THR 10 -2.191 18.436 -5.741
74 1HG2 THR 10 1HG2 THR 10 -3.651 16.145 -6.649
75 2HG2 THR 10 2HG2 THR 10 -4.320 17.749 -6.269
76 3HG2 THR 10 3HG2 THR 10 -4.580 17.043 -7.875
77 H TRP 11 H TRP 11 -0.375 18.491 -7.571
78 HA TRP 11 HA TRP 11 0.903 19.963 -9.675
79 1HB TRP 11 1HB TRP 11 0.544 20.659 -7.336
80 2HB TRP 11 2HB TRP 11 1.559 19.339 -6.768
81 HD1 TRP 11 HD1 TRP 11 3.519 20.744 -9.507
82 HE1 TRP 11 HE1 TRP 11 5.273 22.394 -8.569
83 HE3 TRP 11 HE3 TRP 11 1.588 21.412 -4.831
84 HZ2 TRP 11 HZ2 TRP 11 5.578 24.029 -6.228
85 HZ3 TRP 11 HZ3 TRP 11 2.643 22.988 -3.258
86 HH2 TRP 11 HH2 TRP 11 4.734 24.137 -3.857
87 H SER 12 H SER 12 1.279 17.922 -10.969
88 HA SER 12 HA SER 12 3.244 16.013 -9.984
89 1HB SER 12 1HB SER 12 2.001 16.345 -12.749
90 2HB SER 12 2HB SER 12 2.801 14.908 -12.100
91 HG SER 12 HG SER 12 0.394 16.141 -11.134
92 H GLY 13 H GLY 13 4.750 18.042 -9.659
93 1HA GLY 13 1HA GLY 13 6.729 18.159 -11.821
94 2HA GLY 13 2HA GLY 13 5.731 19.610 -11.661
95 H VAL 14 H VAL 14 7.809 20.605 -11.310
96 HA VAL 14 HA VAL 14 9.490 20.064 -9.099
97 HB VAL 14 HB VAL 14 9.091 22.656 -10.633
98 1HG1 VAL 14 3HG1 VAL 14 11.429 21.724 -8.913
99 2HG1 VAL 14 1HG1 VAL 14 11.399 23.191 -9.909
100 3HG1 VAL 14 2HG1 VAL 14 10.310 23.048 -8.526
101 1HG2 VAL 14 3HG2 VAL 14 11.047 20.346 -11.067
102 2HG2 VAL 14 1HG2 VAL 14 9.733 20.821 -12.165
103 3HG2 VAL 14 2HG2 VAL 14 11.106 21.903 -11.920
104 H CYS 15 H CYS 15 9.367 20.740 -7.016
105 HA CYS 15 HA CYS 15 6.733 21.763 -6.171
106 1HB CYS 15 1HB CYS 15 7.005 20.625 -4.219
107 2HB CYS 15 2HB CYS 15 7.806 19.578 -5.396
108 H GLY 16 H GLY 16 10.203 22.563 -5.689
109 1HA GLY 16 1HA GLY 16 11.164 24.439 -4.719
110 2HA GLY 16 2HA GLY 16 9.576 25.201 -4.591
111 H ASN 17 H ASN 17 8.170 23.350 -2.977
112 HA ASN 17 HA ASN 17 9.686 23.250 -0.424
113 1HB ASN 17 1HB ASN 17 8.730 25.499 -0.578
114 2HB ASN 17 2HB ASN 17 7.133 24.816 -0.924
115 1HD2 ASN 17 2HD2 ASN 17 8.592 24.769 2.927
116 2HD2 ASN 17 1HD2 ASN 17 9.653 25.164 1.590
117 H ASN 18 H ASN 18 9.239 21.549 0.761
118 HA ASN 18 HA ASN 18 7.582 19.425 0.121
119 1HB ASN 18 1HB ASN 18 9.566 19.518 1.691
120 2HB ASN 18 2HB ASN 18 8.545 20.276 2.896
121 1HD2 ASN 18 2HD2 ASN 18 8.163 16.292 2.227
122 2HD2 ASN 18 1HD2 ASN 18 9.256 17.183 1.172
123 H ASN 19 H ASN 19 7.038 21.698 2.709
124 HA ASN 19 HA ASN 19 4.559 20.818 3.591
125 1HB ASN 19 1HB ASN 19 6.076 22.623 4.598
126 2HB ASN 19 2HB ASN 19 5.192 23.775 3.592
127 1HD2 ASN 19 2HD2 ASN 19 2.075 22.733 5.555
128 2HD2 ASN 19 1HD2 ASN 19 2.476 22.440 3.877
129 H ALA 20 H ALA 20 5.134 23.262 1.018
130 HA ALA 20 HA ALA 20 2.369 23.804 0.515
131 1HB ALA 20 3HB ALA 20 4.177 25.225 -0.379
132 2HB ALA 20 1HB ALA 20 4.687 23.904 -1.459
133 3HB ALA 20 2HB ALA 20 3.090 24.657 -1.658
134 H CYS 21 H CYS 21 4.654 21.575 -1.144
135 HA CYS 21 HA CYS 21 2.898 20.391 -2.936
136 1HB CYS 21 1HB CYS 21 5.169 19.875 -3.149
137 2HB CYS 21 2HB CYS 21 5.326 19.352 -1.471
138 H LYS 22 H LYS 22 3.725 19.308 0.327
139 HA LYS 22 HA LYS 22 2.106 17.089 0.730
140 1HB LYS 22 1HB LYS 22 3.864 17.833 2.223
141 2HB LYS 22 2HB LYS 22 3.010 19.318 2.602
142 1HG LYS 22 1HG LYS 22 1.194 18.067 3.718
143 2HG LYS 22 2HG LYS 22 2.027 16.567 3.420
144 1HD LYS 22 1HD LYS 22 2.657 18.860 5.278
145 2HD LYS 22 2HD LYS 22 2.615 17.143 5.654
146 1HE LYS 22 1HE LYS 22 4.802 18.693 4.179
147 2HE LYS 22 2HE LYS 22 4.907 18.051 5.810
148 1HZ LYS 22 3HZ LYS 22 4.541 16.326 3.455
149 2HZ LYS 22 1HZ LYS 22 6.013 16.762 3.983
150 3HZ LYS 22 2HZ LYS 22 5.015 15.871 4.952
151 H ASN 23 H ASN 23 1.346 20.425 1.746
152 HA ASN 23 HA ASN 23 -1.282 19.902 2.582
153 1HB ASN 23 1HB ASN 23 -0.288 22.023 3.163
154 2HB ASN 23 2HB ASN 23 0.105 22.379 1.477
155 1HD2 ASN 23 2HD2 ASN 23 -2.677 24.537 1.474
156 2HD2 ASN 23 1HD2 ASN 23 -0.931 24.397 1.414
157 H GLN 24 H GLN 24 -0.220 21.301 -0.586
158 HA GLN 24 HA GLN 24 -2.797 21.362 -1.678
159 1HB GLN 24 1HB GLN 24 -0.078 21.061 -3.024
160 2HB GLN 24 2HB GLN 24 -1.606 21.292 -3.904
161 1HG GLN 24 1HG GLN 24 -2.019 23.411 -2.720
162 2HG GLN 24 2HG GLN 24 -0.550 23.199 -1.758
163 1HE2 GLN 24 2HE2 GLN 24 0.243 23.807 -5.745
164 2HE2 GLN 24 1HE2 GLN 24 -0.835 22.504 -5.270
165 H CYS 25 H CYS 25 -0.440 18.615 -1.824
166 HA CYS 25 HA CYS 25 -2.074 17.022 -3.491
167 1HB CYS 25 1HB CYS 25 0.259 16.375 -2.869
168 2HB CYS 25 2HB CYS 25 -0.314 15.965 -1.253
169 H ILE 26 H ILE 26 -1.912 16.942 0.149
170 HA ILE 26 HA ILE 26 -4.068 14.965 0.128
171 HB ILE 26 HB ILE 26 -3.778 14.745 2.427
172 1HG1 ILE 26 1HG1 ILE 26 -2.339 17.408 2.435
173 2HG1 ILE 26 2HG1 ILE 26 -3.871 16.978 3.227
174 1HG2 ILE 26 3HG2 ILE 26 -1.898 14.001 0.868
175 2HG2 ILE 26 1HG2 ILE 26 -0.983 15.412 1.427
176 3HG2 ILE 26 2HG2 ILE 26 -1.474 14.154 2.576
177 1HD1 ILE 26 1HD1 ILE 26 -2.631 15.349 4.664
178 2HD1 ILE 26 2HD1 ILE 26 -1.105 15.968 3.980
179 3HD1 ILE 26 3HD1 ILE 26 -2.162 17.045 4.905
180 H ASN 27 H ASN 27 -3.956 18.375 0.100
181 HA ASN 27 HA ASN 27 -6.552 18.837 1.336
182 1HB ASN 27 1HB ASN 27 -4.639 20.347 1.427
183 2HB ASN 27 2HB ASN 27 -4.750 20.647 -0.324
184 1HD2 ASN 27 2HD2 ASN 27 -6.444 23.326 1.750
185 2HD2 ASN 27 1HD2 ASN 27 -4.861 22.543 1.848
186 H LEU 28 H LEU 28 -5.225 19.145 -2.053
187 HA LEU 28 HA LEU 28 -7.863 19.508 -3.165
188 1HB LEU 28 1HB LEU 28 -5.106 19.076 -4.343
189 2HB LEU 28 2HB LEU 28 -6.551 18.996 -5.335
190 HG LEU 28 HG LEU 28 -7.208 21.247 -4.803
191 1HD1 LEU 28 2HD1 LEU 28 -4.715 21.405 -3.062
192 2HD1 LEU 28 3HD1 LEU 28 -5.707 22.787 -3.555
193 3HD1 LEU 28 1HD1 LEU 28 -6.401 21.547 -2.510
194 1HD2 LEU 28 3HD2 LEU 28 -5.645 20.836 -6.677
195 2HD2 LEU 28 1HD2 LEU 28 -5.367 22.424 -5.941
196 3HD2 LEU 28 2HD2 LEU 28 -4.265 21.079 -5.582
197 H GLU 29 H GLU 29 -5.541 16.710 -3.372
198 HA GLU 29 HA GLU 29 -7.927 14.993 -3.974
199 1HB GLU 29 1HB GLU 29 -6.487 13.251 -4.684
200 2HB GLU 29 2HB GLU 29 -6.258 14.703 -5.649
201 1HG GLU 29 1HG GLU 29 -4.161 15.193 -4.433
202 2HG GLU 29 2HG GLU 29 -4.340 13.690 -3.501
203 HE2 GLU 29 HE2 GLU 29 -2.272 14.435 -5.281
204 H LYS 30 H LYS 30 -7.213 12.685 -2.768
205 HA LYS 30 HA LYS 30 -7.197 13.513 0.097
206 1HB LYS 30 1HB LYS 30 -8.906 11.518 -1.396
207 2HB LYS 30 2HB LYS 30 -8.793 11.535 0.370
208 1HG LYS 30 1HG LYS 30 -9.542 14.005 -1.252
209 2HG LYS 30 2HG LYS 30 -10.720 12.864 -0.625
210 1HD LYS 30 1HD LYS 30 -10.607 13.604 1.475
211 2HD LYS 30 2HD LYS 30 -8.862 13.712 1.522
212 1HE LYS 30 1HE LYS 30 -10.660 15.779 0.160
213 2HE LYS 30 2HE LYS 30 -10.115 15.899 1.838
214 1HZ LYS 30 1HZ LYS 30 -8.263 15.806 -0.462
215 2HZ LYS 30 2HZ LYS 30 -8.728 17.167 0.270
216 3HZ LYS 30 3HZ LYS 30 -7.828 16.054 1.068
217 H ALA 31 H ALA 31 -4.971 12.500 -1.707
218 HA ALA 31 HA ALA 31 -3.929 10.074 -0.770
219 1HB ALA 31 2HB ALA 31 -2.859 11.705 -2.431
220 2HB ALA 31 3HB ALA 31 -2.407 12.676 -1.019
221 3HB ALA 31 1HB ALA 31 -1.758 11.030 -1.205
222 H ARG 32 H ARG 32 -2.321 9.710 0.917
223 HA ARG 32 HA ARG 32 -3.496 10.773 3.388
224 1HB ARG 32 1HB ARG 32 -3.456 8.399 2.938
225 2HB ARG 32 2HB ARG 32 -1.692 8.424 2.717
226 1HG ARG 32 1HG ARG 32 -2.431 7.325 4.747
227 2HG ARG 32 2HG ARG 32 -1.315 8.658 5.051
228 1HD ARG 32 1HD ARG 32 -4.358 8.785 5.335
229 2HD ARG 32 2HD ARG 32 -3.244 8.492 6.688
230 HE ARG 32 HE ARG 32 -2.233 10.782 5.634
231 1HH1 ARG 32 2HH2 ARG 32 -5.450 10.063 6.856
232 2HH1 ARG 32 1HH2 ARG 32 -6.013 11.703 6.741
233 1HH2 ARG 32 1HH1 ARG 32 -2.930 12.804 5.281
234 2HH2 ARG 32 2HH1 ARG 32 -4.461 13.383 5.903
235 H HIS 33 H HIS 33 -0.212 10.290 2.002
236 HA HIS 33 HA HIS 33 0.700 12.602 3.668
237 1HB HIS 33 2HB HIS 33 2.301 10.159 2.844
238 2HB HIS 33 1HB HIS 33 3.017 11.681 3.375
239 HD1 HIS 33 HD1 HIS 33 0.098 11.318 5.412
240 HD2 HIS 33 HD2 HIS 33 3.925 9.610 5.369
241 HE1 HIS 33 HE1 HIS 33 0.510 10.332 7.730
242 H GLY 34 H GLY 34 2.111 14.004 2.627
243 1HA GLY 34 1HA GLY 34 2.604 13.661 -0.198
244 2HA GLY 34 2HA GLY 34 1.665 15.098 0.213
245 H SER 35 H SER 35 4.608 14.762 -0.684
246 HA SER 35 HA SER 35 5.962 16.436 1.186
247 1HB SER 35 1HB SER 35 5.808 13.695 2.118
248 2HB SER 35 2HB SER 35 7.425 13.903 1.471
249 HG SER 35 HG SER 35 7.405 14.522 3.597
250 H CYS 36 H CYS 36 7.191 17.412 -0.243
251 HA CYS 36 HA CYS 36 7.907 16.245 -2.778
252 1HB CYS 36 1HB CYS 36 7.527 18.673 -2.484
253 2HB CYS 36 2HB CYS 36 8.896 18.739 -1.344
254 H ASN 37 H ASN 37 9.876 15.508 -3.444
255 HA ASN 37 HA ASN 37 11.973 14.945 -1.372
256 1HB ASN 37 1HB ASN 37 10.857 12.864 -1.954
257 2HB ASN 37 2HB ASN 37 10.929 13.262 -3.681
258 1HD2 ASN 37 2HD2 ASN 37 14.029 11.654 -4.042
259 2HD2 ASN 37 1HD2 ASN 37 12.449 12.022 -4.709
260 H TYR 38 H TYR 38 14.168 14.741 -2.386
261 HA TYR 38 HA TYR 38 14.449 16.792 -4.479
262 1HB TYR 38 1HB TYR 38 15.855 17.087 -2.539
263 2HB TYR 38 2HB TYR 38 16.581 15.503 -2.773
264 HD1 TYR 38 HD1 TYR 38 15.825 18.505 -4.991
265 HD2 TYR 38 HD2 TYR 38 18.810 15.698 -3.639
266 HE1 TYR 38 HE1 TYR 38 17.240 19.072 -6.919
267 HE2 TYR 38 HE2 TYR 38 20.175 16.211 -5.643
268 HH TYR 38 HH TYR 38 18.955 18.336 -8.258
269 H VAL 39 H VAL 39 16.971 14.583 -4.578
270 HA VAL 39 HA VAL 39 17.964 13.601 -6.249
271 HB VAL 39 HB VAL 39 17.022 11.802 -7.432
272 1HG1 VAL 39 3HG1 VAL 39 17.628 11.453 -5.099
273 2HG1 VAL 39 1HG1 VAL 39 15.988 11.869 -4.574
274 3HG1 VAL 39 2HG1 VAL 39 16.266 10.415 -5.552
275 1HG2 VAL 39 1HG2 VAL 39 14.794 12.733 -8.063
276 2HG2 VAL 39 2HG2 VAL 39 14.777 11.073 -7.464
277 3HG2 VAL 39 3HG2 VAL 39 14.230 12.372 -6.409
278 H PHE 40 H PHE 40 18.228 13.436 -8.690
279 HA PHE 40 HA PHE 40 18.160 16.087 -9.538
280 1HB PHE 40 1HB PHE 40 19.197 15.354 -11.534
281 2HB PHE 40 2HB PHE 40 19.728 14.240 -10.299
282 HD1 PHE 40 HD1 PHE 40 18.776 11.873 -10.265
283 HD2 PHE 40 HD2 PHE 40 17.853 14.679 -13.420
284 HE1 PHE 40 HE1 PHE 40 17.813 10.045 -11.625
285 HE2 PHE 40 HE2 PHE 40 16.902 12.839 -14.770
286 HZ PHE 40 HZ PHE 40 16.867 10.523 -13.872
287 HA PRO 41 HA PRO 41 18.138 17.341 -11.471
288 1HB PRO 41 1HB PRO 41 16.863 19.352 -12.737
289 2HB PRO 41 2HB PRO 41 17.300 17.824 -13.553
290 1HG PRO 41 1HG PRO 41 14.586 18.637 -12.513
291 2HG PRO 41 2HG PRO 41 15.000 17.828 -14.041
292 1HD PRO 41 1HD PRO 41 14.147 16.474 -11.751
293 2HD PRO 41 2HD PRO 41 15.159 15.740 -13.019
294 H ALA 42 H ALA 42 14.829 18.375 -10.526
295 HA ALA 42 HA ALA 42 15.925 20.137 -8.380
296 1HB ALA 42 3HB ALA 42 15.037 21.379 -10.318
297 2HB ALA 42 1HB ALA 42 13.483 20.534 -10.145
298 3HB ALA 42 2HB ALA 42 14.050 21.630 -8.867
299 H HIS 43 H HIS 43 14.076 20.664 -6.791
300 HA HIS 43 HA HIS 43 13.227 18.280 -5.468
301 1HB HIS 43 2HB HIS 43 12.403 21.187 -5.158
302 2HB HIS 43 1HB HIS 43 11.991 19.930 -4.007
303 HD1 HIS 43 HD1 HIS 43 13.770 19.029 -2.396
304 HD2 HIS 43 HD2 HIS 43 15.197 21.951 -5.046
305 HE1 HIS 43 HE1 HIS 43 16.079 19.721 -1.592
306 H LYS 44 H LYS 44 11.383 17.122 -5.686
307 HA LYS 44 HA LYS 44 9.356 18.039 -7.688
308 1HB LYS 44 1HB LYS 44 9.344 15.773 -8.603
309 2HB LYS 44 2HB LYS 44 10.905 16.589 -8.767
310 1HG LYS 44 1HG LYS 44 11.715 15.296 -6.716
311 2HG LYS 44 2HG LYS 44 10.173 14.456 -6.710
312 1HD LYS 44 1HD LYS 44 11.859 13.082 -7.763
313 2HD LYS 44 2HD LYS 44 10.597 13.503 -8.922
314 1HE LYS 44 1HE LYS 44 12.957 13.573 -9.811
315 2HE LYS 44 2HE LYS 44 12.044 15.057 -10.081
316 1HZ LYS 44 2HZ LYS 44 13.845 14.769 -7.759
317 2HZ LYS 44 3HZ LYS 44 14.401 15.231 -9.202
318 3HZ LYS 44 1HZ LYS 44 13.291 16.149 -8.418
319 H CYS 45 H CYS 45 7.259 17.717 -7.242
320 HA CYS 45 HA CYS 45 6.656 17.169 -4.476
321 1HB CYS 45 1HB CYS 45 5.531 18.973 -5.624
322 2HB CYS 45 2HB CYS 45 4.882 17.851 -6.815
323 H ILE 46 H ILE 46 7.229 14.945 -4.225
324 HA ILE 46 HA ILE 46 5.571 12.891 -5.509
325 HB ILE 46 HB ILE 46 7.414 12.723 -3.102
326 1HG1 ILE 46 1HG1 ILE 46 8.758 13.414 -4.958
327 2HG1 ILE 46 2HG1 ILE 46 9.067 11.715 -4.626
328 1HG2 ILE 46 3HG2 ILE 46 6.195 10.524 -4.824
329 2HG2 ILE 46 1HG2 ILE 46 7.471 10.290 -3.610
330 3HG2 ILE 46 2HG2 ILE 46 5.873 10.839 -3.114
331 1HD1 ILE 46 2HD1 ILE 46 7.586 11.090 -6.556
332 2HD1 ILE 46 3HD1 ILE 46 7.375 12.822 -6.913
333 3HD1 ILE 46 1HD1 ILE 46 8.975 12.081 -7.021
334 H CYS 47 H CYS 47 3.872 11.758 -4.561
335 HA CYS 47 HA CYS 47 2.933 12.628 -1.931
336 1HB CYS 47 1HB CYS 47 1.737 13.963 -3.702
337 2HB CYS 47 2HB CYS 47 1.040 12.442 -4.296
338 H TYR 48 H TYR 48 1.590 11.045 -0.812
339 HA TYR 48 HA TYR 48 2.129 8.298 -1.801
340 1HB TYR 48 1HB TYR 48 2.539 9.026 1.063
341 2HB TYR 48 2HB TYR 48 3.175 7.677 0.148
342 HD1 TYR 48 HD2 TYR 48 3.426 11.421 0.448
343 HD2 TYR 48 HD1 TYR 48 5.500 7.730 -0.313
344 HE1 TYR 48 HE2 TYR 48 5.469 12.681 -0.105
345 HE2 TYR 48 HE1 TYR 48 7.614 8.999 -0.614
346 HH TYR 48 HH TYR 48 7.643 12.582 -0.815
347 H PHE 49 H PHE 49 0.548 6.796 -1.392
348 HA PHE 49 HA PHE 49 -1.751 7.579 0.296
349 1HB PHE 49 1HB PHE 49 -1.980 5.996 -2.257
350 2HB PHE 49 2HB PHE 49 -3.198 6.806 -1.359
351 HD1 PHE 49 HD1 PHE 49 -0.013 7.908 -3.174
352 HD2 PHE 49 HD2 PHE 49 -4.278 8.389 -2.710
353 HE1 PHE 49 HE1 PHE 49 0.082 10.007 -4.430
354 HE2 PHE 49 HE2 PHE 49 -4.222 10.166 -4.420
355 HZ PHE 49 HZ PHE 49 -2.015 10.886 -5.407
356 HA PRO 50 HA PRO 50 -1.063 3.358 1.876
357 1HB PRO 50 1HB PRO 50 -3.598 2.692 2.650
358 2HB PRO 50 2HB PRO 50 -2.569 3.861 3.535
359 1HG PRO 50 1HG PRO 50 -4.724 4.478 1.496
360 2HG PRO 50 2HG PRO 50 -4.515 5.195 3.122
361 1HD PRO 50 1HD PRO 50 -3.546 6.450 0.890
362 2HD PRO 50 2HD PRO 50 -2.596 6.435 2.393
363 H CYS 51 H CYS 51 -0.808 1.536 0.576
364 HA CYS 51 HA CYS 51 -2.945 0.721 -1.275
365 1HB CYS 51 1HB CYS 51 -2.239 1.997 -2.985
366 2HB CYS 51 2HB CYS 51 -0.858 2.549 -2.079
No H/Q in entry = 366
Start of MODEL 20
1 HA PCA 1 HA PYR 1 -3.247 -0.283 4.448
2 1HB PCA 1 1HB PYR 1 -3.613 0.386 1.526
3 2HB PCA 1 2HB PYR 1 -4.010 -1.139 2.372
4 1HG PCA 1 1HG PYR 1 -5.914 0.792 1.719
5 2HG PCA 1 2HG PYR 1 -6.058 -0.234 3.180
6 HN PCA 1 HN PYR 1 -3.606 2.347 4.678
7 H LYS 2 H LYS 2 -1.379 -0.948 2.622
8 HA LYS 2 HA LYS 2 0.858 0.591 3.386
9 1HB LYS 2 1HB LYS 2 2.165 -0.865 2.053
10 2HB LYS 2 2HB LYS 2 0.840 -1.808 2.716
11 1HG LYS 2 1HG LYS 2 0.648 -2.579 0.595
12 2HG LYS 2 2HG LYS 2 -0.309 -1.125 0.352
13 1HD LYS 2 1HD LYS 2 2.268 -0.159 -0.130
14 2HD LYS 2 2HD LYS 2 2.475 -1.858 -0.537
15 1HE LYS 2 1HE LYS 2 1.893 -0.819 -2.585
16 2HE LYS 2 2HE LYS 2 0.387 -1.589 -2.057
17 1HZ LYS 2 1HZ LYS 2 -0.202 0.627 -1.108
18 2HZ LYS 2 2HZ LYS 2 1.142 1.255 -1.764
19 3HZ LYS 2 3HZ LYS 2 -0.071 0.661 -2.730
20 H LEU 3 H LEU 3 1.927 2.300 2.458
21 HA LEU 3 HA LEU 3 0.318 4.014 0.839
22 1HB LEU 3 1HB LEU 3 3.149 4.239 1.832
23 2HB LEU 3 2HB LEU 3 2.260 5.585 1.118
24 HG LEU 3 HG LEU 3 1.285 4.115 3.609
25 1HD1 LEU 3 3HD1 LEU 3 3.504 5.131 4.008
26 2HD1 LEU 3 1HD1 LEU 3 2.897 6.688 3.410
27 3HD1 LEU 3 2HD1 LEU 3 2.214 5.968 4.884
28 1HD2 LEU 3 2HD2 LEU 3 0.557 6.798 2.341
29 2HD2 LEU 3 3HD2 LEU 3 -0.489 5.366 2.432
30 3HD2 LEU 3 1HD2 LEU 3 -0.027 6.218 3.909
31 H CYS 4 H CYS 4 1.282 5.334 -0.936
32 HA CYS 4 HA CYS 4 3.331 4.039 -2.656
33 1HB CYS 4 1HB CYS 4 0.681 5.246 -3.623
34 2HB CYS 4 2HB CYS 4 2.084 4.886 -4.621
35 H GLU 5 H GLU 5 4.935 5.498 -2.200
36 HA GLU 5 HA GLU 5 4.489 8.322 -1.684
37 1HB GLU 5 1HB GLU 5 6.946 8.394 -1.663
38 2HB GLU 5 2HB GLU 5 6.294 7.143 -0.611
39 1HG GLU 5 1HG GLU 5 7.406 5.505 -1.626
40 2HG GLU 5 2HG GLU 5 6.879 5.982 -3.239
41 HE1 GLU 5 HE2 GLU 5 7.929 7.963 -4.021
42 H ARG 6 H ARG 6 3.175 8.694 -3.627
43 HA ARG 6 HA ARG 6 4.524 8.340 -6.238
44 1HB ARG 6 1HB ARG 6 1.733 8.504 -5.247
45 2HB ARG 6 2HB ARG 6 2.041 9.133 -6.872
46 1HG ARG 6 1HG ARG 6 3.010 7.052 -7.594
47 2HG ARG 6 2HG ARG 6 2.981 6.415 -5.941
48 1HD ARG 6 1HD ARG 6 1.179 5.455 -7.257
49 2HD ARG 6 2HD ARG 6 0.506 6.472 -5.956
50 HE ARG 6 HE ARG 6 0.704 8.186 -8.150
51 1HH1 ARG 6 1HH1 ARG 6 -0.916 5.131 -7.518
52 2HH1 ARG 6 2HH1 ARG 6 -2.282 5.458 -8.549
53 1HH2 ARG 6 2HH2 ARG 6 -1.071 8.721 -9.351
54 2HH2 ARG 6 1HH2 ARG 6 -2.370 7.596 -9.681
55 HA PRO 7 HA PRO 7 4.789 12.864 -6.709
56 1HB PRO 7 1HB PRO 7 5.834 12.210 -9.406
57 2HB PRO 7 2HB PRO 7 6.609 13.160 -8.112
58 1HG PRO 7 1HG PRO 7 7.471 10.624 -8.864
59 2HG PRO 7 2HG PRO 7 7.633 11.270 -7.211
60 1HD PRO 7 1HD PRO 7 5.572 9.345 -8.260
61 2HD PRO 7 2HD PRO 7 6.421 9.391 -6.686
62 H SER 8 H SER 8 3.747 10.217 -8.896
63 HA SER 8 HA SER 8 2.059 11.697 -10.663
64 1HB SER 8 1HB SER 8 1.338 9.247 -11.091
65 2HB SER 8 2HB SER 8 3.000 9.737 -11.459
66 HG SER 8 HG SER 8 3.013 7.812 -10.257
67 H GLY 9 H GLY 9 0.899 12.940 -9.016
68 1HA GLY 9 1HA GLY 9 -1.699 11.611 -8.461
69 2HA GLY 9 2HA GLY 9 -0.904 12.525 -7.158
70 H THR 10 H THR 10 -1.191 14.773 -7.194
71 HA THR 10 HA THR 10 -2.293 16.056 -9.655
72 HB THR 10 HB THR 10 -2.356 18.073 -8.162
73 HG1 THR 10 HG1 THR 10 -1.762 17.928 -6.126
74 1HG2 THR 10 2HG2 THR 10 -3.864 15.596 -7.219
75 2HG2 THR 10 3HG2 THR 10 -4.276 17.282 -6.836
76 3HG2 THR 10 1HG2 THR 10 -4.351 16.714 -8.510
77 H TRP 11 H TRP 11 0.162 16.943 -7.282
78 HA TRP 11 HA TRP 11 1.468 18.656 -9.176
79 1HB TRP 11 1HB TRP 11 1.083 18.979 -6.699
80 2HB TRP 11 2HB TRP 11 2.459 17.923 -6.416
81 HD1 TRP 11 HD1 TRP 11 3.966 19.542 -9.105
82 HE1 TRP 11 HE1 TRP 11 5.094 21.788 -8.529
83 HE3 TRP 11 HE3 TRP 11 1.644 20.518 -4.658
84 HZ2 TRP 11 HZ2 TRP 11 4.891 23.793 -6.512
85 HZ3 TRP 11 HZ3 TRP 11 2.216 22.560 -3.386
86 HH2 TRP 11 HH2 TRP 11 3.921 24.119 -4.222
87 H SER 12 H SER 12 1.823 16.602 -10.618
88 HA SER 12 HA SER 12 4.278 15.122 -9.993
89 1HB SER 12 1HB SER 12 2.630 15.213 -12.557
90 2HB SER 12 2HB SER 12 3.764 13.949 -12.034
91 HG SER 12 HG SER 12 2.327 13.935 -10.062
92 H GLY 13 H GLY 13 5.280 17.438 -9.736
93 1HA GLY 13 1HA GLY 13 6.999 17.979 -12.021
94 2HA GLY 13 2HA GLY 13 5.748 19.218 -11.779
95 H VAL 14 H VAL 14 7.819 20.498 -11.486
96 HA VAL 14 HA VAL 14 9.485 20.128 -9.217
97 HB VAL 14 HB VAL 14 8.918 22.685 -10.764
98 1HG1 VAL 14 3HG1 VAL 14 11.277 21.879 -9.004
99 2HG1 VAL 14 1HG1 VAL 14 11.184 23.352 -9.991
100 3HG1 VAL 14 2HG1 VAL 14 10.074 23.135 -8.634
101 1HG2 VAL 14 1HG2 VAL 14 11.019 20.510 -11.199
102 2HG2 VAL 14 2HG2 VAL 14 9.702 20.933 -12.313
103 3HG2 VAL 14 3HG2 VAL 14 11.006 22.084 -12.018
104 H CYS 15 H CYS 15 9.264 20.815 -7.143
105 HA CYS 15 HA CYS 15 6.532 21.469 -6.326
106 1HB CYS 15 1HB CYS 15 7.075 20.604 -4.267
107 2HB CYS 15 2HB CYS 15 8.025 19.629 -5.393
108 H GLY 16 H GLY 16 9.739 23.040 -6.094
109 1HA GLY 16 1HA GLY 16 10.307 25.144 -5.318
110 2HA GLY 16 2HA GLY 16 8.597 25.557 -5.179
111 H ASN 17 H ASN 17 7.778 23.476 -3.301
112 HA ASN 17 HA ASN 17 9.373 23.929 -0.878
113 1HB ASN 17 1HB ASN 17 8.243 26.087 -1.158
114 2HB ASN 17 2HB ASN 17 6.683 25.267 -1.330
115 1HD2 ASN 17 2HD2 ASN 17 8.407 25.647 2.398
116 2HD2 ASN 17 1HD2 ASN 17 9.361 25.937 0.957
117 H ASN 18 H ASN 18 9.071 22.444 0.605
118 HA ASN 18 HA ASN 18 7.675 20.067 0.270
119 1HB ASN 18 1HB ASN 18 9.693 20.609 1.705
120 2HB ASN 18 2HB ASN 18 8.629 21.370 2.871
121 1HD2 ASN 18 2HD2 ASN 18 8.975 17.383 2.884
122 2HD2 ASN 18 1HD2 ASN 18 9.863 18.263 1.653
123 H ASN 19 H ASN 19 6.966 22.592 2.569
124 HA ASN 19 HA ASN 19 4.560 21.612 3.626
125 1HB ASN 19 1HB ASN 19 5.693 23.467 4.664
126 2HB ASN 19 2HB ASN 19 5.301 24.532 3.308
127 1HD2 ASN 19 2HD2 ASN 19 2.058 25.238 4.512
128 2HD2 ASN 19 1HD2 ASN 19 3.330 25.630 3.370
129 H ALA 20 H ALA 20 4.882 23.900 0.866
130 HA ALA 20 HA ALA 20 2.108 24.022 0.234
131 1HB ALA 20 3HB ALA 20 3.780 25.516 -0.820
132 2HB ALA 20 1HB ALA 20 4.447 24.132 -1.723
133 3HB ALA 20 2HB ALA 20 2.784 24.674 -2.019
134 H CYS 21 H CYS 21 4.679 21.837 -1.054
135 HA CYS 21 HA CYS 21 3.101 20.243 -2.676
136 1HB CYS 21 1HB CYS 21 5.389 19.849 -2.784
137 2HB CYS 21 2HB CYS 21 5.556 19.631 -1.047
138 H LYS 22 H LYS 22 3.763 19.648 0.835
139 HA LYS 22 HA LYS 22 2.158 17.319 0.888
140 1HB LYS 22 1HB LYS 22 2.530 17.125 3.101
141 2HB LYS 22 2HB LYS 22 3.944 18.049 2.516
142 1HG LYS 22 1HG LYS 22 2.877 20.095 3.483
143 2HG LYS 22 2HG LYS 22 1.520 19.116 4.035
144 1HD LYS 22 1HD LYS 22 3.005 19.540 5.857
145 2HD LYS 22 2HD LYS 22 2.995 17.810 5.523
146 1HE LYS 22 1HE LYS 22 5.110 19.611 4.282
147 2HE LYS 22 2HE LYS 22 5.270 19.159 5.978
148 1HZ LYS 22 1HZ LYS 22 4.989 17.113 3.871
149 2HZ LYS 22 2HZ LYS 22 6.426 17.776 4.294
150 3HZ LYS 22 3HZ LYS 22 5.542 16.941 5.402
151 H ASN 23 H ASN 23 1.347 20.722 1.621
152 HA ASN 23 HA ASN 23 -1.331 20.283 2.489
153 1HB ASN 23 1HB ASN 23 -0.182 22.453 2.638
154 2HB ASN 23 2HB ASN 23 -0.185 22.620 0.883
155 1HD2 ASN 23 2HD2 ASN 23 -3.191 24.281 2.717
156 2HD2 ASN 23 1HD2 ASN 23 -1.534 24.113 3.267
157 H GLN 24 H GLN 24 -0.199 21.199 -0.822
158 HA GLN 24 HA GLN 24 -2.723 20.866 -2.010
159 1HB GLN 24 1HB GLN 24 0.069 20.721 -3.159
160 2HB GLN 24 2HB GLN 24 -1.409 20.672 -4.155
161 1HG GLN 24 1HG GLN 24 -2.139 22.839 -3.193
162 2HG GLN 24 2HG GLN 24 -0.686 22.896 -2.180
163 1HE2 GLN 24 2HE2 GLN 24 0.202 23.263 -6.166
164 2HE2 GLN 24 1HE2 GLN 24 -0.707 21.868 -5.616
165 H CYS 25 H CYS 25 -0.117 18.459 -1.624
166 HA CYS 25 HA CYS 25 -1.222 16.246 -2.928
167 1HB CYS 25 1HB CYS 25 0.930 16.051 -2.042
168 2HB CYS 25 2HB CYS 25 0.433 16.569 -0.442
169 H ILE 26 H ILE 26 -1.655 16.909 0.633
170 HA ILE 26 HA ILE 26 -3.652 14.768 0.667
171 HB ILE 26 HB ILE 26 -3.610 14.935 3.003
172 1HG1 ILE 26 1HG1 ILE 26 -2.468 17.716 2.663
173 2HG1 ILE 26 2HG1 ILE 26 -3.988 17.215 3.433
174 1HG2 ILE 26 3HG2 ILE 26 -1.582 14.025 1.928
175 2HG2 ILE 26 1HG2 ILE 26 -0.797 15.613 2.014
176 3HG2 ILE 26 2HG2 ILE 26 -1.220 14.769 3.485
177 1HD1 ILE 26 3HD1 ILE 26 -2.637 16.031 5.193
178 2HD1 ILE 26 1HD1 ILE 26 -1.178 16.787 4.499
179 3HD1 ILE 26 2HD1 ILE 26 -2.462 17.799 5.168
180 H ASN 27 H ASN 27 -3.728 18.126 0.153
181 HA ASN 27 HA ASN 27 -6.441 18.650 1.042
182 1HB ASN 27 1HB ASN 27 -4.643 20.290 1.038
183 2HB ASN 27 2HB ASN 27 -4.530 20.207 -0.738
184 1HD2 ASN 27 2HD2 ASN 27 -6.425 23.238 0.142
185 2HD2 ASN 27 1HD2 ASN 27 -4.803 22.603 0.445
186 H LEU 28 H LEU 28 -4.868 18.455 -2.262
187 HA LEU 28 HA LEU 28 -7.477 18.395 -3.538
188 1HB LEU 28 1HB LEU 28 -4.636 18.122 -4.553
189 2HB LEU 28 2HB LEU 28 -6.053 17.789 -5.545
190 HG LEU 28 HG LEU 28 -6.922 20.036 -5.249
191 1HD1 LEU 28 3HD1 LEU 28 -4.382 20.581 -3.657
192 2HD1 LEU 28 1HD1 LEU 28 -5.476 21.828 -4.282
193 3HD1 LEU 28 2HD1 LEU 28 -6.058 20.700 -3.060
194 1HD2 LEU 28 1HD2 LEU 28 -5.421 19.526 -7.136
195 2HD2 LEU 28 2HD2 LEU 28 -5.215 21.201 -6.598
196 3HD2 LEU 28 3HD2 LEU 28 -4.010 19.974 -6.150
197 H GLU 29 H GLU 29 -4.795 15.876 -3.367
198 HA GLU 29 HA GLU 29 -6.955 13.856 -3.826
199 1HB GLU 29 1HB GLU 29 -5.263 12.209 -4.092
200 2HB GLU 29 2HB GLU 29 -5.129 13.490 -5.279
201 1HG GLU 29 1HG GLU 29 -3.307 13.469 -2.853
202 2HG GLU 29 2HG GLU 29 -3.017 12.404 -4.230
203 HE1 GLU 29 HE2 GLU 29 -2.693 16.273 -5.180
204 H LYS 30 H LYS 30 -6.540 11.824 -2.273
205 HA LYS 30 HA LYS 30 -6.898 13.051 0.413
206 1HB LYS 30 1HB LYS 30 -8.188 10.685 -0.933
207 2HB LYS 30 2HB LYS 30 -8.357 10.997 0.801
208 1HG LYS 30 1HG LYS 30 -9.013 13.080 -1.333
209 2HG LYS 30 2HG LYS 30 -10.187 11.974 -0.640
210 1HD LYS 30 1HD LYS 30 -10.474 13.183 1.188
211 2HD LYS 30 2HD LYS 30 -8.771 13.271 1.570
212 1HE LYS 30 1HE LYS 30 -10.184 15.084 -0.455
213 2HE LYS 30 2HE LYS 30 -9.971 15.488 1.249
214 1HZ LYS 30 2HZ LYS 30 -7.708 15.051 -0.610
215 2HZ LYS 30 3HZ LYS 30 -8.321 16.487 -0.186
216 3HZ LYS 30 1HZ LYS 30 -7.572 15.557 0.921
217 H ALA 31 H ALA 31 -4.361 11.981 -0.807
218 HA ALA 31 HA ALA 31 -3.174 9.932 0.633
219 1HB ALA 31 2HB ALA 31 -2.238 12.733 -0.081
220 2HB ALA 31 3HB ALA 31 -1.122 11.436 0.372
221 3HB ALA 31 1HB ALA 31 -2.094 11.299 -1.112
222 H ARG 32 H ARG 32 -1.660 10.025 2.425
223 HA ARG 32 HA ARG 32 -3.015 11.251 4.773
224 1HB ARG 32 1HB ARG 32 -0.671 9.287 4.596
225 2HB ARG 32 2HB ARG 32 -1.483 9.767 6.084
226 1HG ARG 32 1HG ARG 32 -2.860 8.266 3.810
227 2HG ARG 32 2HG ARG 32 -1.980 7.476 5.102
228 1HD ARG 32 1HD ARG 32 -4.361 7.443 5.651
229 2HD ARG 32 2HD ARG 32 -3.422 8.351 6.826
230 HE ARG 32 HE ARG 32 -4.659 10.196 6.391
231 1HH1 ARG 32 2HH2 ARG 32 -5.064 8.021 3.625
232 2HH1 ARG 32 1HH2 ARG 32 -5.788 9.268 2.614
233 1HH2 ARG 32 2HH1 ARG 32 -5.692 11.799 5.020
234 2HH2 ARG 32 1HH1 ARG 32 -6.046 11.347 3.374
235 H HIS 33 H HIS 33 0.386 10.938 3.737
236 HA HIS 33 HA HIS 33 0.765 13.763 4.570
237 1HB HIS 33 2HB HIS 33 3.159 13.237 4.977
238 2HB HIS 33 1HB HIS 33 2.016 12.587 6.142
239 HD1 HIS 33 HD1 HIS 33 1.601 10.007 6.186
240 HD2 HIS 33 HD2 HIS 33 4.759 11.285 3.746
241 HE1 HIS 33 HE1 HIS 33 3.053 7.985 5.715
242 H GLY 34 H GLY 34 2.675 14.688 3.396
243 1HA GLY 34 1HA GLY 34 3.362 13.640 0.817
244 2HA GLY 34 2HA GLY 34 2.453 15.138 0.707
245 H SER 35 H SER 35 5.158 15.096 -0.037
246 HA SER 35 HA SER 35 6.352 17.151 1.576
247 1HB SER 35 1HB SER 35 7.355 14.270 1.876
248 2HB SER 35 2HB SER 35 8.475 15.617 1.991
249 HG SER 35 HG SER 35 6.175 15.154 3.565
250 H CYS 36 H CYS 36 8.071 18.030 0.434
251 HA CYS 36 HA CYS 36 8.548 16.919 -2.292
252 1HB CYS 36 1HB CYS 36 7.886 19.297 -2.206
253 2HB CYS 36 2HB CYS 36 9.274 19.633 -1.138
254 H ASN 37 H ASN 37 10.545 16.182 -2.812
255 HA ASN 37 HA ASN 37 12.814 16.695 -0.961
256 1HB ASN 37 1HB ASN 37 11.763 14.371 -0.579
257 2HB ASN 37 2HB ASN 37 12.298 13.953 -2.209
258 1HD2 ASN 37 2HD2 ASN 37 15.752 13.688 -1.171
259 2HD2 ASN 37 1HD2 ASN 37 14.753 13.850 -2.595
260 H TYR 38 H TYR 38 14.922 16.300 -2.196
261 HA TYR 38 HA TYR 38 14.740 17.256 -4.955
262 1HB TYR 38 1HB TYR 38 16.705 17.770 -3.558
263 2HB TYR 38 2HB TYR 38 17.085 16.048 -3.464
264 HD1 TYR 38 HD1 TYR 38 17.881 14.816 -5.480
265 HD2 TYR 38 HD2 TYR 38 17.012 19.038 -5.647
266 HE1 TYR 38 HE1 TYR 38 18.713 14.903 -7.814
267 HE2 TYR 38 HE2 TYR 38 17.963 19.135 -7.932
268 HH TYR 38 HH TYR 38 18.457 17.849 -9.803
269 H VAL 39 H VAL 39 14.147 15.946 -6.608
270 HA VAL 39 HA VAL 39 15.204 13.214 -6.717
271 HB VAL 39 HB VAL 39 12.229 13.751 -7.185
272 1HG1 VAL 39 2HG1 VAL 39 13.266 12.084 -8.747
273 2HG1 VAL 39 3HG1 VAL 39 13.870 11.182 -7.347
274 3HG1 VAL 39 1HG1 VAL 39 12.124 11.328 -7.627
275 1HG2 VAL 39 2HG2 VAL 39 13.596 12.156 -4.982
276 2HG2 VAL 39 3HG2 VAL 39 12.593 13.615 -4.782
277 3HG2 VAL 39 1HG2 VAL 39 11.862 12.109 -5.345
278 H PHE 40 H PHE 40 16.264 13.335 -8.601
279 HA PHE 40 HA PHE 40 16.627 15.465 -10.022
280 1HB PHE 40 1HB PHE 40 17.769 14.248 -11.640
281 2HB PHE 40 2HB PHE 40 17.788 13.194 -10.247
282 HD1 PHE 40 HD1 PHE 40 16.002 11.278 -10.169
283 HD2 PHE 40 HD2 PHE 40 16.863 13.573 -13.726
284 HE1 PHE 40 HE1 PHE 40 14.795 9.611 -11.550
285 HE2 PHE 40 HE2 PHE 40 15.648 11.908 -15.090
286 HZ PHE 40 HZ PHE 40 14.597 9.935 -14.006
287 HA PRO 41 HA PRO 41 17.077 16.450 -11.978
288 1HB PRO 41 1HB PRO 41 16.492 18.645 -13.390
289 2HB PRO 41 2HB PRO 41 16.384 17.012 -14.119
290 1HG PRO 41 1HG PRO 41 14.103 18.629 -12.926
291 2HG PRO 41 2HG PRO 41 14.182 17.901 -14.559
292 1HD PRO 41 1HD PRO 41 13.011 16.605 -12.435
293 2HD PRO 41 2HD PRO 41 13.915 15.714 -13.691
294 H ALA 42 H ALA 42 14.338 17.422 -10.070
295 HA ALA 42 HA ALA 42 15.888 19.597 -8.774
296 1HB ALA 42 1HB ALA 42 14.671 20.576 -10.731
297 2HB ALA 42 2HB ALA 42 13.146 20.027 -10.006
298 3HB ALA 42 3HB ALA 42 14.151 21.242 -9.184
299 H HIS 43 H HIS 43 13.887 20.693 -7.280
300 HA HIS 43 HA HIS 43 13.215 18.712 -5.257
301 1HB HIS 43 2HB HIS 43 12.312 21.548 -5.681
302 2HB HIS 43 1HB HIS 43 12.111 20.656 -4.187
303 HD1 HIS 43 HD1 HIS 43 14.559 19.618 -3.205
304 HD2 HIS 43 HD2 HIS 43 14.645 23.068 -5.590
305 HE1 HIS 43 HE1 HIS 43 16.795 20.755 -2.811
306 H LYS 44 H LYS 44 11.589 17.332 -5.521
307 HA LYS 44 HA LYS 44 9.334 17.982 -7.378
308 1HB LYS 44 1HB LYS 44 11.016 16.382 -8.312
309 2HB LYS 44 2HB LYS 44 10.504 15.279 -7.015
310 1HG LYS 44 1HG LYS 44 8.138 15.466 -7.849
311 2HG LYS 44 2HG LYS 44 8.706 16.483 -9.173
312 1HD LYS 44 1HD LYS 44 9.434 13.550 -8.684
313 2HD LYS 44 2HD LYS 44 8.244 14.175 -9.818
314 1HE LYS 44 1HE LYS 44 9.972 13.831 -11.263
315 2HE LYS 44 2HE LYS 44 10.223 15.538 -10.881
316 1HZ LYS 44 3HZ LYS 44 11.635 13.263 -9.617
317 2HZ LYS 44 1HZ LYS 44 12.257 14.176 -10.815
318 3HZ LYS 44 2HZ LYS 44 11.998 14.847 -9.368
319 H CYS 45 H CYS 45 7.315 17.575 -6.642
320 HA CYS 45 HA CYS 45 6.970 17.175 -3.804
321 1HB CYS 45 1HB CYS 45 5.552 18.730 -5.034
322 2HB CYS 45 2HB CYS 45 4.982 17.425 -6.077
323 H ILE 46 H ILE 46 6.484 15.281 -2.732
324 HA ILE 46 HA ILE 46 5.704 12.866 -4.300
325 HB ILE 46 HB ILE 46 7.221 12.995 -1.661
326 1HG1 ILE 46 1HG1 ILE 46 8.715 13.904 -3.353
327 2HG1 ILE 46 2HG1 ILE 46 9.239 12.313 -2.818
328 1HG2 ILE 46 3HG2 ILE 46 6.625 10.688 -3.542
329 2HG2 ILE 46 1HG2 ILE 46 7.658 10.617 -2.094
330 3HG2 ILE 46 2HG2 ILE 46 5.928 10.955 -1.938
331 1HD1 ILE 46 2HD1 ILE 46 7.726 12.839 -5.415
332 2HD1 ILE 46 3HD1 ILE 46 9.470 12.615 -5.261
333 3HD1 ILE 46 1HD1 ILE 46 8.379 11.277 -4.871
334 H CYS 47 H CYS 47 3.773 11.961 -3.674
335 HA CYS 47 HA CYS 47 2.434 13.065 -1.246
336 1HB CYS 47 1HB CYS 47 1.638 14.017 -3.408
337 2HB CYS 47 2HB CYS 47 1.318 12.425 -3.999
338 H TYR 48 H TYR 48 1.582 11.505 0.168
339 HA TYR 48 HA TYR 48 2.197 8.675 -0.585
340 1HB TYR 48 1HB TYR 48 2.213 10.080 2.087
341 2HB TYR 48 2HB TYR 48 2.415 8.358 1.836
342 HD1 TYR 48 HD2 TYR 48 3.915 11.604 0.633
343 HD2 TYR 48 HD1 TYR 48 4.603 7.526 1.823
344 HE1 TYR 48 HE2 TYR 48 6.350 12.004 0.569
345 HE2 TYR 48 HE1 TYR 48 7.034 7.939 1.813
346 HH TYR 48 HH TYR 48 8.722 9.461 1.380
347 H PHE 49 H PHE 49 0.314 7.832 -1.333
348 HA PHE 49 HA PHE 49 -2.072 7.940 0.446
349 1HB PHE 49 1HB PHE 49 -3.318 7.481 -1.808
350 2HB PHE 49 2HB PHE 49 -2.917 9.109 -1.345
351 HD1 PHE 49 HD2 PHE 49 -0.481 9.978 -2.179
352 HD2 PHE 49 HD1 PHE 49 -3.164 7.223 -4.144
353 HE1 PHE 49 HE2 PHE 49 0.494 10.553 -4.358
354 HE2 PHE 49 HE1 PHE 49 -2.459 8.152 -6.324
355 HZ PHE 49 HZ PHE 49 -0.592 9.879 -6.398
356 HA PRO 50 HA PRO 50 -1.787 3.501 0.397
357 1HB PRO 50 1HB PRO 50 -4.251 2.755 1.125
358 2HB PRO 50 2HB PRO 50 -3.145 3.638 2.224
359 1HG PRO 50 1HG PRO 50 -5.371 4.811 0.520
360 2HG PRO 50 2HG PRO 50 -5.106 5.053 2.271
361 1HD PRO 50 1HD PRO 50 -4.179 6.835 0.427
362 2HD PRO 50 2HD PRO 50 -3.214 6.432 1.878
363 H CYS 51 H CYS 51 -1.456 3.998 -1.937
364 HA CYS 51 HA CYS 51 -3.711 3.666 -3.750
365 1HB CYS 51 1HB CYS 51 -2.369 4.744 -5.203
366 2HB CYS 51 2HB CYS 51 -1.326 4.972 -3.883
No H/Q in entry = 366