Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
1265 | 1afi RC | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT3 ALA 1 16.408 1.379 -0.541
2 2H ALA 1 HT2 ALA 1 17.792 1.995 -1.311
3 3H ALA 1 HT1 ALA 1 17.799 1.723 0.366
4 HA ALA 1 HA ALA 1 17.537 4.056 0.087
5 1HB ALA 1 HB1 ALA 1 16.625 3.278 -2.355
6 2HB ALA 1 HB3 ALA 1 15.106 3.739 -1.584
7 3HB ALA 1 HB2 ALA 1 16.417 4.910 -1.721
8 H THR 2 HN THR 2 15.113 5.278 0.426
9 HA THR 2 HA THR 2 13.377 3.654 2.135
10 HB THR 2 HB THR 2 13.871 5.867 3.675
11 HG1 THR 2 HG1 THR 2 15.745 6.604 3.151
12 1HG2 THR 2 HG22 THR 2 13.705 3.528 4.445
13 2HG2 THR 2 HG21 THR 2 15.313 3.211 3.793
14 3HG2 THR 2 HG23 THR 2 15.112 4.332 5.139
15 H GLN 3 HN GLN 3 11.829 4.256 0.470
16 HA GLN 3 HA GLN 3 11.092 7.172 0.504
17 1HB GLN 3 HB2 GLN 3 11.250 5.130 -1.715
18 2HB GLN 3 HB1 GLN 3 10.336 6.627 -1.899
19 1HG GLN 3 HG2 GLN 3 12.907 7.239 -0.773
20 2HG GLN 3 HG1 GLN 3 13.133 6.256 -2.220
21 1HE2 GLN 3 HE22 GLN 3 12.907 9.479 -3.798
22 2HE2 GLN 3 HE21 GLN 3 14.015 8.358 -3.167
23 H THR 4 HN THR 4 8.788 7.565 -0.098
24 HA THR 4 HA THR 4 6.994 5.300 0.697
25 HB THR 4 HB THR 4 7.473 7.014 2.492
26 HG1 THR 4 HG1 THR 4 5.301 7.215 3.023
27 1HG2 THR 4 HG23 THR 4 7.674 8.946 0.937
28 2HG2 THR 4 HG22 THR 4 5.944 8.838 0.616
29 3HG2 THR 4 HG21 THR 4 6.517 9.248 2.233
30 H VAL 5 HN VAL 5 5.267 5.032 -0.666
31 HA VAL 5 HA VAL 5 4.663 7.199 -2.682
32 HB VAL 5 HB VAL 5 4.336 4.215 -3.010
33 1HG1 VAL 5 HG13 VAL 5 4.125 6.653 -4.721
34 2HG1 VAL 5 HG12 VAL 5 4.685 5.160 -5.472
35 3HG1 VAL 5 HG11 VAL 5 3.106 5.219 -4.690
36 1HG2 VAL 5 HG21 VAL 5 6.768 5.850 -3.034
37 2HG2 VAL 5 HG23 VAL 5 6.602 4.094 -3.045
38 3HG2 VAL 5 HG22 VAL 5 6.510 4.998 -4.557
39 H THR 6 HN THR 6 2.368 6.889 -3.521
40 HA THR 6 HA THR 6 0.576 6.190 -1.247
41 HB THR 6 HB THR 6 -0.956 7.582 -2.947
42 HG1 THR 6 HG1 THR 6 1.630 8.603 -3.442
43 1HG2 THR 6 HG21 THR 6 0.793 8.260 -0.724
44 2HG2 THR 6 HG23 THR 6 0.534 9.635 -1.798
45 3HG2 THR 6 HG22 THR 6 -0.846 8.817 -1.066
46 H LEU 7 HN LEU 7 -1.397 4.958 -1.948
47 HA LEU 7 HA LEU 7 -0.936 3.521 -4.525
48 1HB LEU 7 HB2 LEU 7 -0.895 2.600 -1.761
49 2HB LEU 7 HB1 LEU 7 -2.069 1.703 -2.723
50 HG LEU 7 HG LEU 7 -0.418 1.025 -4.289
51 1HD1 LEU 7 HD11 LEU 7 1.219 3.208 -3.047
52 2HD1 LEU 7 HD13 LEU 7 1.997 1.890 -3.921
53 3HD1 LEU 7 HD12 LEU 7 0.844 2.930 -4.741
54 1HD2 LEU 7 HD23 LEU 7 -0.301 -0.056 -1.982
55 2HD2 LEU 7 HD22 LEU 7 1.173 -0.179 -2.943
56 3HD2 LEU 7 HD21 LEU 7 1.061 1.015 -1.650
57 H ALA 8 HN ALA 8 -2.845 2.632 -5.457
58 HA ALA 8 HA ALA 8 -5.333 4.070 -4.596
59 1HB ALA 8 HB3 ALA 8 -4.218 3.067 -7.213
60 2HB ALA 8 HB2 ALA 8 -5.933 3.448 -7.054
61 3HB ALA 8 HB1 ALA 8 -4.722 4.702 -6.786
62 H VAL 9 HN VAL 9 -6.331 2.600 -3.202
63 HA VAL 9 HA VAL 9 -6.792 -0.185 -4.224
64 HB VAL 9 HB VAL 9 -5.600 -0.253 -2.159
65 1HG1 VAL 9 HG12 VAL 9 -7.360 2.084 -1.458
66 2HG1 VAL 9 HG11 VAL 9 -6.644 1.116 -0.169
67 3HG1 VAL 9 HG13 VAL 9 -5.607 1.937 -1.335
68 1HG2 VAL 9 HG22 VAL 9 -8.333 -1.064 -2.236
69 2HG2 VAL 9 HG21 VAL 9 -7.036 -1.732 -1.246
70 3HG2 VAL 9 HG23 VAL 9 -8.025 -0.411 -0.627
71 HA PRO 10 HA PRO 10 -10.898 1.920 -4.329
72 1HB PRO 10 HB2 PRO 10 -11.615 0.591 -6.678
73 2HB PRO 10 HB1 PRO 10 -10.888 2.200 -6.588
74 1HG PRO 10 HG2 PRO 10 -9.693 -0.306 -7.512
75 2HG PRO 10 HG1 PRO 10 -9.106 1.348 -7.714
76 1HD PRO 10 HD2 PRO 10 -8.121 -0.652 -5.892
77 2HD PRO 10 HD1 PRO 10 -7.577 1.035 -6.053
78 H GLY 11 HN GLY 11 -10.266 -0.526 -2.752
79 1HA GLY 11 HA2 GLY 11 -12.232 -2.535 -3.586
80 2HA GLY 11 HA1 GLY 11 -11.273 -2.579 -2.107
81 H MET 12 HN MET 12 -12.066 0.209 -1.426
82 HA MET 12 HA MET 12 -13.630 1.015 0.196
83 1HB MET 12 HB2 MET 12 -15.839 1.355 -1.122
84 2HB MET 12 HB1 MET 12 -14.373 2.063 -1.798
85 1HG MET 12 HG2 MET 12 -14.109 0.168 -3.313
86 2HG MET 12 HG1 MET 12 -15.498 -0.639 -2.585
87 1HE MET 12 HE2 MET 12 -14.748 0.243 -5.636
88 2HE MET 12 HE1 MET 12 -16.131 -0.792 -5.289
89 3HE MET 12 HE3 MET 12 -16.332 0.653 -6.289
90 H THR 13 HN THR 13 -13.311 -1.352 1.166
91 HA THR 13 HA THR 13 -15.738 -3.014 1.014
92 HB THR 13 HB THR 13 -14.187 -3.973 3.072
93 HG1 THR 13 HG1 THR 13 -12.072 -3.625 2.519
94 1HG2 THR 13 HG21 THR 13 -14.106 -4.394 0.092
95 2HG2 THR 13 HG23 THR 13 -13.076 -5.334 1.171
96 3HG2 THR 13 HG22 THR 13 -14.831 -5.421 1.329
97 H CYS 14 HN CYS 14 -15.318 -0.129 2.319
98 HA CYS 14 HA CYS 14 -16.497 1.028 4.003
99 1HB CYS 14 HB2 CYS 14 -17.951 -1.286 3.428
100 2HB CYS 14 HB1 CYS 14 -17.771 -1.327 5.182
101 HG CYS 14 HG CYS 14 -19.888 0.158 4.394
102 H ALA 15 HN ALA 15 -14.510 1.390 5.130
103 HA ALA 15 HA ALA 15 -13.106 1.292 7.025
104 1HB ALA 15 HB2 ALA 15 -15.722 0.078 7.786
105 2HB ALA 15 HB1 ALA 15 -14.378 -0.170 8.899
106 3HB ALA 15 HB3 ALA 15 -14.886 1.465 8.482
107 H ALA 16 HN ALA 16 -13.051 -0.863 4.877
108 HA ALA 16 HA ALA 16 -11.615 -2.928 6.514
109 1HB ALA 16 HB3 ALA 16 -13.932 -3.121 4.758
110 2HB ALA 16 HB2 ALA 16 -12.629 -4.183 4.222
111 3HB ALA 16 HB1 ALA 16 -13.269 -4.328 5.859
112 H CYS 17 HN CYS 17 -12.014 -1.396 3.324
113 HA CYS 17 HA CYS 17 -9.817 -2.495 1.941
114 1HB CYS 17 HB2 CYS 17 -11.708 -0.486 1.612
115 2HB CYS 17 HB1 CYS 17 -10.172 0.378 1.547
116 HG CYS 17 HG CYS 17 -10.028 -2.098 -0.175
117 HA PRO 18 HA PRO 18 -7.056 1.013 3.779
118 1HB PRO 18 HB2 PRO 18 -8.184 2.155 6.098
119 2HB PRO 18 HB1 PRO 18 -8.104 2.888 4.494
120 1HG PRO 18 HG2 PRO 18 -10.426 1.867 5.903
121 2HG PRO 18 HG1 PRO 18 -10.360 2.778 4.392
122 1HD PRO 18 HD2 PRO 18 -10.898 -0.030 4.738
123 2HD PRO 18 HD1 PRO 18 -10.811 0.885 3.214
124 H ILE 19 HN ILE 19 -8.701 -1.384 5.642
125 HA ILE 19 HA ILE 19 -6.711 -1.329 7.842
126 HB ILE 19 HB ILE 19 -9.110 -3.082 7.215
127 1HG1 ILE 19 HG12 ILE 19 -9.482 -0.589 7.663
128 2HG1 ILE 19 HG11 ILE 19 -10.333 -1.699 8.737
129 1HG2 ILE 19 HG22 ILE 19 -7.038 -3.147 9.308
130 2HG2 ILE 19 HG21 ILE 19 -8.691 -3.190 9.923
131 3HG2 ILE 19 HG23 ILE 19 -8.144 -4.414 8.778
132 1HD1 ILE 19 HD11 ILE 19 -7.623 -0.990 9.650
133 2HD1 ILE 19 HD13 ILE 19 -8.742 0.372 9.586
134 3HD1 ILE 19 HD12 ILE 19 -9.137 -1.047 10.554
135 H THR 20 HN THR 20 -7.859 -3.477 5.291
136 HA THR 20 HA THR 20 -5.927 -5.569 5.725
137 HB THR 20 HB THR 20 -8.030 -4.725 3.777
138 HG1 THR 20 HG1 THR 20 -8.857 -6.726 4.383
139 1HG2 THR 20 HG23 THR 20 -6.069 -6.968 3.269
140 2HG2 THR 20 HG22 THR 20 -7.535 -6.658 2.337
141 3HG2 THR 20 HG21 THR 20 -6.219 -5.484 2.328
142 H VAL 21 HN VAL 21 -6.178 -2.752 3.560
143 HA VAL 21 HA VAL 21 -3.877 -3.446 1.988
144 HB VAL 21 HB VAL 21 -5.522 -0.974 2.513
145 1HG1 VAL 21 HG11 VAL 21 -2.904 -1.212 1.057
146 2HG1 VAL 21 HG13 VAL 21 -4.128 -0.087 0.469
147 3HG1 VAL 21 HG12 VAL 21 -3.482 0.087 2.101
148 1HG2 VAL 21 HG22 VAL 21 -5.339 -3.115 0.490
149 2HG2 VAL 21 HG21 VAL 21 -6.715 -2.107 0.938
150 3HG2 VAL 21 HG23 VAL 21 -5.501 -1.493 -0.184
151 H LYS 22 HN LYS 22 -4.407 -1.212 4.713
152 HA LYS 22 HA LYS 22 -1.829 -0.152 5.015
153 1HB LYS 22 HB2 LYS 22 -4.115 0.081 6.332
154 2HB LYS 22 HB1 LYS 22 -3.364 -1.090 7.414
155 1HG LYS 22 HG2 LYS 22 -1.509 1.027 6.668
156 2HG LYS 22 HG1 LYS 22 -2.959 1.674 7.436
157 1HD LYS 22 HD2 LYS 22 -2.657 0.009 9.284
158 2HD LYS 22 HD1 LYS 22 -1.129 -0.473 8.546
159 1HE LYS 22 HE2 LYS 22 -0.605 2.119 8.641
160 2HE LYS 22 HE1 LYS 22 -1.833 2.103 9.922
161 1HZ LYS 22 HZ1 LYS 22 -0.416 -0.113 10.472
162 2HZ LYS 22 HZ3 LYS 22 0.804 0.909 9.887
163 3HZ LYS 22 HZ2 LYS 22 -0.148 1.395 11.207
164 H LYS 23 HN LYS 23 -3.055 -3.180 6.528
165 HA LYS 23 HA LYS 23 -0.479 -3.876 7.624
166 1HB LYS 23 HB2 LYS 23 -1.606 -5.949 8.200
167 2HB LYS 23 HB1 LYS 23 -2.744 -4.619 8.417
168 1HG LYS 23 HG2 LYS 23 -4.151 -5.673 7.014
169 2HG LYS 23 HG1 LYS 23 -2.984 -5.394 5.724
170 1HD LYS 23 HD2 LYS 23 -1.789 -7.497 6.484
171 2HD LYS 23 HD1 LYS 23 -3.172 -7.811 7.533
172 1HE LYS 23 HE2 LYS 23 -4.622 -8.190 5.732
173 2HE LYS 23 HE1 LYS 23 -3.620 -7.254 4.604
174 1HZ LYS 23 HZ2 LYS 23 -1.831 -8.967 5.112
175 2HZ LYS 23 HZ1 LYS 23 -3.078 -9.927 5.753
176 3HZ LYS 23 HZ3 LYS 23 -3.114 -9.473 4.120
177 H ALA 24 HN ALA 24 -1.887 -4.328 4.484
178 HA ALA 24 HA ALA 24 -0.393 -6.605 3.634
179 1HB ALA 24 HB3 ALA 24 -2.338 -4.820 2.656
180 2HB ALA 24 HB2 ALA 24 -0.987 -4.713 1.527
181 3HB ALA 24 HB1 ALA 24 -1.741 -6.273 1.854
182 H LEU 25 HN LEU 25 0.123 -3.133 2.977
183 HA LEU 25 HA LEU 25 2.713 -3.509 1.762
184 1HB LEU 25 HB2 LEU 25 1.374 -1.110 3.049
185 2HB LEU 25 HB1 LEU 25 2.717 -1.051 1.904
186 HG LEU 25 HG LEU 25 0.945 -2.629 0.557
187 1HD1 LEU 25 HD13 LEU 25 -0.549 -1.169 2.573
188 2HD1 LEU 25 HD12 LEU 25 -1.074 -0.757 0.940
189 3HD1 LEU 25 HD11 LEU 25 -1.089 -2.438 1.474
190 1HD2 LEU 25 HD22 LEU 25 2.021 0.012 0.428
191 2HD2 LEU 25 HD21 LEU 25 1.434 -0.996 -0.896
192 3HD2 LEU 25 HD23 LEU 25 0.325 0.084 -0.052
193 H SER 26 HN SER 26 1.581 -2.914 5.038
194 HA SER 26 HA SER 26 4.138 -2.183 6.177
195 1HB SER 26 HB2 SER 26 2.898 -2.158 8.152
196 2HB SER 26 HB1 SER 26 1.589 -2.048 6.978
197 HG SER 26 HG SER 26 2.512 -4.276 8.442
198 H LYS 27 HN LYS 27 2.665 -5.176 5.180
199 HA LYS 27 HA LYS 27 4.852 -6.668 6.552
200 1HB LYS 27 HB2 LYS 27 3.311 -8.564 6.549
201 2HB LYS 27 HB1 LYS 27 2.494 -7.160 7.238
202 1HG LYS 27 HG2 LYS 27 0.903 -7.982 5.722
203 2HG LYS 27 HG1 LYS 27 1.709 -6.724 4.790
204 1HD LYS 27 HD2 LYS 27 2.612 -8.196 3.338
205 2HD LYS 27 HD1 LYS 27 3.020 -9.342 4.616
206 1HE LYS 27 HE2 LYS 27 0.468 -9.822 4.728
207 2HE LYS 27 HE1 LYS 27 0.403 -9.036 3.138
208 1HZ LYS 27 HZ3 LYS 27 2.448 -11.079 3.717
209 2HZ LYS 27 HZ2 LYS 27 0.888 -11.548 3.238
210 3HZ LYS 27 HZ1 LYS 27 1.838 -10.580 2.216
211 H VAL 28 HN VAL 28 4.119 -5.378 3.642
212 HA VAL 28 HA VAL 28 4.257 -7.368 1.681
213 HB VAL 28 HB VAL 28 3.927 -4.969 1.270
214 1HG1 VAL 28 HG12 VAL 28 5.798 -4.407 3.017
215 2HG1 VAL 28 HG11 VAL 28 6.879 -4.523 1.629
216 3HG1 VAL 28 HG13 VAL 28 5.570 -3.340 1.630
217 1HG2 VAL 28 HG22 VAL 28 6.316 -6.243 -0.082
218 2HG2 VAL 28 HG21 VAL 28 4.648 -6.204 -0.654
219 3HG2 VAL 28 HG23 VAL 28 5.609 -4.724 -0.632
220 H GLU 29 HN GLU 29 7.084 -5.757 3.249
221 HA GLU 29 HA GLU 29 8.667 -8.121 3.376
222 1HB GLU 29 HB2 GLU 29 8.393 -6.825 0.770
223 2HB GLU 29 HB1 GLU 29 10.080 -6.978 1.262
224 1HG GLU 29 HG2 GLU 29 9.008 -9.428 1.971
225 2HG GLU 29 HG1 GLU 29 8.180 -9.059 0.458
226 H GLY 30 HN GLY 30 9.760 -5.039 1.962
227 1HA GLY 30 HA2 GLY 30 11.484 -4.669 4.357
228 2HA GLY 30 HA1 GLY 30 11.738 -3.903 2.790
229 H VAL 31 HN VAL 31 8.484 -3.700 3.439
230 HA VAL 31 HA VAL 31 8.258 -0.930 3.608
231 HB VAL 31 HB VAL 31 6.414 -2.595 3.399
232 1HG1 VAL 31 HG12 VAL 31 7.542 -3.735 5.628
233 2HG1 VAL 31 HG11 VAL 31 6.158 -2.890 6.323
234 3HG1 VAL 31 HG13 VAL 31 5.914 -4.083 5.047
235 1HG2 VAL 31 HG21 VAL 31 6.253 -0.116 4.344
236 2HG2 VAL 31 HG23 VAL 31 4.837 -1.164 4.335
237 3HG2 VAL 31 HG22 VAL 31 5.764 -0.950 5.818
238 H SER 32 HN SER 32 8.321 0.576 5.184
239 HA SER 32 HA SER 32 9.446 -0.245 7.828
240 1HB SER 32 HB2 SER 32 9.633 2.401 6.352
241 2HB SER 32 HB1 SER 32 10.508 1.961 7.816
242 HG SER 32 HG SER 32 11.812 1.656 5.992
243 H LYS 33 HN LYS 33 6.840 1.175 6.135
244 HA LYS 33 HA LYS 33 5.259 1.485 8.561
245 1HB LYS 33 HB2 LYS 33 6.395 3.472 8.991
246 2HB LYS 33 HB1 LYS 33 6.689 3.790 7.283
247 1HG LYS 33 HG2 LYS 33 4.375 4.430 6.945
248 2HG LYS 33 HG1 LYS 33 3.964 3.956 8.594
249 1HD LYS 33 HD2 LYS 33 6.148 5.966 8.176
250 2HD LYS 33 HD1 LYS 33 4.470 6.491 8.023
251 1HE LYS 33 HE2 LYS 33 4.760 4.823 10.372
252 2HE LYS 33 HE1 LYS 33 5.914 6.170 10.427
253 1HZ LYS 33 HZ2 LYS 33 4.012 7.606 9.657
254 2HZ LYS 33 HZ1 LYS 33 2.981 6.304 10.017
255 3HZ LYS 33 HZ3 LYS 33 3.891 7.028 11.250
256 H VAL 34 HN VAL 34 3.050 2.445 7.961
257 HA VAL 34 HA VAL 34 2.420 2.546 5.083
258 HB VAL 34 HB VAL 34 2.563 0.131 5.691
259 1HG1 VAL 34 HG12 VAL 34 0.808 1.109 7.868
260 2HG1 VAL 34 HG11 VAL 34 0.322 -0.421 7.141
261 3HG1 VAL 34 HG13 VAL 34 1.927 -0.253 7.849
262 1HG2 VAL 34 HG22 VAL 34 0.933 1.075 3.975
263 2HG2 VAL 34 HG21 VAL 34 0.486 -0.488 4.654
264 3HG2 VAL 34 HG23 VAL 34 -0.308 0.980 5.224
265 H ASP 35 HN ASP 35 0.004 2.988 4.780
266 HA ASP 35 HA ASP 35 -1.570 3.774 7.110
267 1HB ASP 35 HB2 ASP 35 0.221 5.660 5.702
268 2HB ASP 35 HB1 ASP 35 -1.422 6.253 5.948
269 H VAL 36 HN VAL 36 -3.540 5.201 6.201
270 HA VAL 36 HA VAL 36 -4.162 4.520 3.383
271 HB VAL 36 HB VAL 36 -6.362 3.511 4.293
272 1HG1 VAL 36 HG11 VAL 36 -4.459 2.237 3.265
273 2HG1 VAL 36 HG13 VAL 36 -3.770 2.050 4.878
274 3HG1 VAL 36 HG12 VAL 36 -5.329 1.319 4.495
275 1HG2 VAL 36 HG21 VAL 36 -5.762 4.420 6.651
276 2HG2 VAL 36 HG23 VAL 36 -6.410 2.783 6.543
277 3HG2 VAL 36 HG22 VAL 36 -4.677 3.033 6.752
278 H GLY 37 HN GLY 37 -6.252 5.516 2.699
279 1HA GLY 37 HA2 GLY 37 -7.310 7.657 4.424
280 2HA GLY 37 HA1 GLY 37 -6.523 8.186 2.937
281 H PHE 38 HN PHE 38 -9.435 7.037 4.282
282 HA PHE 38 HA PHE 38 -10.581 5.795 1.943
283 1HB PHE 38 HB2 PHE 38 -11.267 6.444 4.654
284 2HB PHE 38 HB1 PHE 38 -12.582 6.964 3.596
285 HD1 PHE 38 HD1 PHE 38 -12.319 5.022 1.376
286 HD2 PHE 38 HD2 PHE 38 -12.096 4.438 5.622
287 HE1 PHE 38 HE1 PHE 38 -13.021 2.661 1.082
288 HE2 PHE 38 HE2 PHE 38 -12.799 2.079 5.332
289 HZ PHE 38 HZ PHE 38 -13.276 1.191 3.068
290 H GLU 39 HN GLU 39 -9.774 9.032 2.569
291 HA GLU 39 HA GLU 39 -11.947 10.455 1.386
292 1HB GLU 39 HB2 GLU 39 -9.834 11.252 2.655
293 2HB GLU 39 HB1 GLU 39 -9.020 11.152 1.093
294 1HG GLU 39 HG2 GLU 39 -11.552 12.507 0.793
295 2HG GLU 39 HG1 GLU 39 -10.600 13.287 2.057
296 H LYS 40 HN LYS 40 -9.434 8.462 0.022
297 HA LYS 40 HA LYS 40 -10.650 8.768 -2.657
298 1HB LYS 40 HB2 LYS 40 -8.405 10.232 -1.858
299 2HB LYS 40 HB1 LYS 40 -7.745 8.897 -2.803
300 1HG LYS 40 HG2 LYS 40 -9.154 9.444 -4.690
301 2HG LYS 40 HG1 LYS 40 -10.035 10.644 -3.744
302 1HD LYS 40 HD2 LYS 40 -7.537 11.594 -3.412
303 2HD LYS 40 HD1 LYS 40 -7.337 10.821 -4.985
304 1HE LYS 40 HE2 LYS 40 -9.811 12.437 -4.677
305 2HE LYS 40 HE1 LYS 40 -8.290 13.350 -4.710
306 1HZ LYS 40 HZ2 LYS 40 -7.661 11.887 -6.647
307 2HZ LYS 40 HZ1 LYS 40 -9.288 11.402 -6.707
308 3HZ LYS 40 HZ3 LYS 40 -8.880 13.030 -6.954
309 H ARG 41 HN ARG 41 -10.391 6.624 -0.606
310 HA ARG 41 HA ARG 41 -9.689 4.356 -0.445
311 1HB ARG 41 HB2 ARG 41 -10.873 5.080 -3.013
312 2HB ARG 41 HB1 ARG 41 -9.848 3.650 -3.145
313 1HG ARG 41 HG2 ARG 41 -12.042 2.867 -2.571
314 2HG ARG 41 HG1 ARG 41 -11.063 2.731 -1.110
315 1HD ARG 41 HD2 ARG 41 -13.191 3.750 -0.498
316 2HD ARG 41 HD1 ARG 41 -11.947 5.012 -0.425
317 HE ARG 41 HE ARG 41 -12.861 5.058 -3.063
318 1HH1 ARG 41 HH21 ARG 41 -14.222 5.353 0.098
319 2HH1 ARG 41 HH22 ARG 41 -15.497 6.409 -0.408
320 1HH2 ARG 41 HH11 ARG 41 -14.521 6.438 -3.734
321 2HH2 ARG 41 HH12 ARG 41 -15.667 7.022 -2.574
322 H GLU 42 HN GLU 42 -7.372 5.673 -0.235
323 HA GLU 42 HA GLU 42 -5.547 4.228 -2.125
324 1HB GLU 42 HB2 GLU 42 -4.213 6.304 -2.271
325 2HB GLU 42 HB1 GLU 42 -5.866 6.586 -2.819
326 1HG GLU 42 HG2 GLU 42 -6.410 7.862 -0.974
327 2HG GLU 42 HG1 GLU 42 -5.276 7.014 0.077
328 H ALA 43 HN ALA 43 -3.521 3.606 -1.154
329 HA ALA 43 HA ALA 43 -3.429 3.998 1.822
330 1HB ALA 43 HB1 ALA 43 -2.643 1.681 0.030
331 2HB ALA 43 HB3 ALA 43 -2.227 1.755 1.743
332 3HB ALA 43 HB2 ALA 43 -3.919 1.706 1.248
333 H VAL 44 HN VAL 44 -1.555 4.973 2.589
334 HA VAL 44 HA VAL 44 0.605 5.460 0.573
335 HB VAL 44 HB VAL 44 -0.666 7.354 1.682
336 1HG1 VAL 44 HG12 VAL 44 -0.457 5.898 3.943
337 2HG1 VAL 44 HG11 VAL 44 0.953 6.940 4.144
338 3HG1 VAL 44 HG13 VAL 44 -0.650 7.651 3.959
339 1HG2 VAL 44 HG22 VAL 44 1.831 7.332 0.841
340 2HG2 VAL 44 HG21 VAL 44 1.239 8.707 1.774
341 3HG2 VAL 44 HG23 VAL 44 2.207 7.460 2.559
342 H VAL 45 HN VAL 45 2.561 4.494 0.908
343 HA VAL 45 HA VAL 45 3.108 3.399 3.640
344 HB VAL 45 HB VAL 45 2.202 1.830 1.824
345 1HG1 VAL 45 HG12 VAL 45 3.688 2.845 0.040
346 2HG1 VAL 45 HG11 VAL 45 5.048 2.036 0.818
347 3HG1 VAL 45 HG13 VAL 45 3.733 1.084 0.129
348 1HG2 VAL 45 HG23 VAL 45 4.743 1.413 3.384
349 2HG2 VAL 45 HG22 VAL 45 3.133 0.770 3.706
350 3HG2 VAL 45 HG21 VAL 45 4.095 0.118 2.379
351 H THR 46 HN THR 46 5.210 3.325 4.291
352 HA THR 46 HA THR 46 7.261 4.728 2.609
353 HB THR 46 HB THR 46 6.644 4.471 5.556
354 HG1 THR 46 HG1 THR 46 7.098 6.746 5.377
355 1HG2 THR 46 HG23 THR 46 9.307 4.500 4.328
356 2HG2 THR 46 HG22 THR 46 9.059 5.805 5.488
357 3HG2 THR 46 HG21 THR 46 8.837 4.128 5.986
358 H PHE 47 HN PHE 47 9.409 3.601 2.590
359 HA PHE 47 HA PHE 47 9.687 1.060 3.952
360 1HB PHE 47 HB2 PHE 47 9.406 -0.377 1.987
361 2HB PHE 47 HB1 PHE 47 7.934 0.554 2.269
362 HD1 PHE 47 HD2 PHE 47 11.049 0.401 0.200
363 HD2 PHE 47 HD1 PHE 47 7.145 2.143 0.688
364 HE1 PHE 47 HE2 PHE 47 11.203 1.381 -2.065
365 HE2 PHE 47 HE1 PHE 47 7.302 3.119 -1.585
366 HZ PHE 47 HZ PHE 47 9.324 2.738 -2.962
367 H ASP 48 HN ASP 48 11.431 -0.298 2.685
368 HA ASP 48 HA ASP 48 13.634 1.605 2.023
369 1HB ASP 48 HB2 ASP 48 13.633 -1.284 2.974
370 2HB ASP 48 HB1 ASP 48 15.075 -0.299 2.727
371 H ASP 49 HN ASP 49 13.861 1.748 -0.175
372 HA ASP 49 HA ASP 49 12.692 -0.065 -2.033
373 1HB ASP 49 HB2 ASP 49 13.203 2.187 -2.653
374 2HB ASP 49 HB1 ASP 49 14.894 2.000 -2.187
375 H THR 50 HN THR 50 15.460 -0.472 -0.106
376 HA THR 50 HA THR 50 17.103 -2.008 -1.935
377 HB THR 50 HB THR 50 17.999 -0.889 0.041
378 HG1 THR 50 HG1 THR 50 18.048 -3.649 0.624
379 1HG2 THR 50 HG21 THR 50 15.664 -2.047 1.266
380 2HG2 THR 50 HG23 THR 50 17.102 -2.529 2.166
381 3HG2 THR 50 HG22 THR 50 16.755 -0.819 1.909
382 H LYS 51 HN LYS 51 14.317 -2.733 0.043
383 HA LYS 51 HA LYS 51 14.613 -5.629 -0.672
384 1HB LYS 51 HB2 LYS 51 13.947 -4.209 1.882
385 2HB LYS 51 HB1 LYS 51 13.234 -5.796 1.590
386 1HG LYS 51 HG2 LYS 51 16.176 -5.411 1.141
387 2HG LYS 51 HG1 LYS 51 15.575 -5.612 2.787
388 1HD LYS 51 HD2 LYS 51 14.539 -7.731 2.208
389 2HD LYS 51 HD1 LYS 51 14.957 -7.512 0.509
390 1HE LYS 51 HE2 LYS 51 16.623 -8.994 1.429
391 2HE LYS 51 HE1 LYS 51 17.408 -7.411 1.275
392 1HZ LYS 51 HZ1 LYS 51 16.021 -7.442 3.700
393 2HZ LYS 51 HZ3 LYS 51 16.913 -8.883 3.623
394 3HZ LYS 51 HZ2 LYS 51 17.702 -7.388 3.462
395 H ALA 52 HN ALA 52 12.725 -2.844 -0.961
396 HA ALA 52 HA ALA 52 10.485 -4.408 -2.092
397 1HB ALA 52 HB1 ALA 52 10.529 -3.272 0.557
398 2HB ALA 52 HB3 ALA 52 9.297 -2.461 -0.409
399 3HB ALA 52 HB2 ALA 52 9.252 -4.213 -0.212
400 H SER 53 HN SER 53 8.660 -2.415 -2.453
401 HA SER 53 HA SER 53 9.528 0.172 -3.165
402 1HB SER 53 HB2 SER 53 10.925 -0.261 -4.895
403 2HB SER 53 HB1 SER 53 10.524 -1.974 -4.843
404 HG SER 53 HG SER 53 9.955 -0.675 -6.807
405 H VAL 54 HN VAL 54 8.008 1.129 -4.911
406 HA VAL 54 HA VAL 54 5.339 0.901 -4.315
407 HB VAL 54 HB VAL 54 6.900 1.529 -6.796
408 1HG1 VAL 54 HG13 VAL 54 3.907 1.183 -6.627
409 2HG1 VAL 54 HG12 VAL 54 4.625 2.340 -7.747
410 3HG1 VAL 54 HG11 VAL 54 5.008 0.624 -7.885
411 1HG2 VAL 54 HG23 VAL 54 5.014 3.058 -4.981
412 2HG2 VAL 54 HG22 VAL 54 6.774 3.173 -5.001
413 3HG2 VAL 54 HG21 VAL 54 5.836 3.752 -6.378
414 H GLN 55 HN GLN 55 7.013 -1.062 -6.811
415 HA GLN 55 HA GLN 55 4.878 -2.579 -7.779
416 1HB GLN 55 HB2 GLN 55 7.357 -2.575 -8.393
417 2HB GLN 55 HB1 GLN 55 7.603 -3.675 -7.036
418 1HG GLN 55 HG2 GLN 55 5.460 -4.813 -8.364
419 2HG GLN 55 HG1 GLN 55 6.464 -4.210 -9.683
420 1HE2 GLN 55 HE22 GLN 55 9.326 -6.239 -8.559
421 2HE2 GLN 55 HE21 GLN 55 9.021 -4.626 -8.992
422 H LYS 56 HN LYS 56 6.863 -3.297 -4.891
423 HA LYS 56 HA LYS 56 5.305 -5.615 -4.129
424 1HB LYS 56 HB2 LYS 56 7.330 -3.842 -2.733
425 2HB LYS 56 HB1 LYS 56 6.702 -5.334 -2.033
426 1HG LYS 56 HG2 LYS 56 7.909 -5.313 -4.795
427 2HG LYS 56 HG1 LYS 56 8.926 -5.467 -3.361
428 1HD LYS 56 HD2 LYS 56 7.101 -7.316 -2.731
429 2HD LYS 56 HD1 LYS 56 6.931 -7.383 -4.485
430 1HE LYS 56 HE2 LYS 56 9.582 -7.630 -3.018
431 2HE LYS 56 HE1 LYS 56 8.649 -8.998 -3.653
432 1HZ LYS 56 HZ3 LYS 56 9.045 -6.774 -5.477
433 2HZ LYS 56 HZ2 LYS 56 10.443 -7.663 -5.103
434 3HZ LYS 56 HZ1 LYS 56 9.092 -8.443 -5.777
435 H LEU 57 HN LEU 57 5.034 -2.156 -3.408
436 HA LEU 57 HA LEU 57 3.381 -2.440 -1.053
437 1HB LEU 57 HB2 LEU 57 3.474 -0.231 -3.136
438 2HB LEU 57 HB1 LEU 57 2.923 -0.072 -1.470
439 HG LEU 57 HG LEU 57 5.743 -0.773 -2.341
440 1HD1 LEU 57 HD11 LEU 57 4.303 1.723 -1.795
441 2HD1 LEU 57 HD13 LEU 57 5.774 1.548 -0.838
442 3HD1 LEU 57 HD12 LEU 57 5.853 1.474 -2.599
443 1HD2 LEU 57 HD21 LEU 57 4.364 -1.260 0.116
444 2HD2 LEU 57 HD23 LEU 57 6.079 -1.489 -0.225
445 3HD2 LEU 57 HD22 LEU 57 5.503 0.057 0.398
446 H THR 58 HN THR 58 2.533 -1.565 -4.414
447 HA THR 58 HA THR 58 -0.281 -1.817 -4.169
448 HB THR 58 HB THR 58 1.688 -2.184 -6.445
449 HG1 THR 58 HG1 THR 58 1.577 -0.106 -5.725
450 1HG2 THR 58 HG21 THR 58 -1.003 -3.032 -6.394
451 2HG2 THR 58 HG23 THR 58 -0.983 -1.523 -7.307
452 3HG2 THR 58 HG22 THR 58 0.040 -2.870 -7.807
453 H LYS 59 HN LYS 59 2.266 -4.225 -4.603
454 HA LYS 59 HA LYS 59 0.508 -6.384 -5.333
455 1HB LYS 59 HB2 LYS 59 2.998 -6.153 -5.774
456 2HB LYS 59 HB1 LYS 59 3.255 -6.485 -4.061
457 1HG LYS 59 HG2 LYS 59 2.171 -8.658 -4.275
458 2HG LYS 59 HG1 LYS 59 1.766 -8.324 -5.958
459 1HD LYS 59 HD2 LYS 59 4.150 -8.217 -6.535
460 2HD LYS 59 HD1 LYS 59 4.586 -8.492 -4.848
461 1HE LYS 59 HE2 LYS 59 3.909 -10.732 -4.900
462 2HE LYS 59 HE1 LYS 59 2.795 -10.464 -6.255
463 1HZ LYS 59 HZ2 LYS 59 4.816 -9.846 -7.586
464 2HZ LYS 59 HZ1 LYS 59 5.761 -10.473 -6.321
465 3HZ LYS 59 HZ3 LYS 59 4.702 -11.489 -7.171
466 H ALA 60 HN ALA 60 1.662 -5.005 -2.315
467 HA ALA 60 HA ALA 60 0.903 -7.196 -0.625
468 1HB ALA 60 HB3 ALA 60 2.199 -4.698 -0.449
469 2HB ALA 60 HB2 ALA 60 0.814 -4.591 0.637
470 3HB ALA 60 HB1 ALA 60 2.004 -5.876 0.849
471 H THR 61 HN THR 61 -0.667 -4.057 -1.381
472 HA THR 61 HA THR 61 -3.100 -4.715 0.053
473 HB THR 61 HB THR 61 -2.550 -2.403 -0.359
474 HG1 THR 61 HG1 THR 61 -4.343 -1.952 -2.028
475 1HG2 THR 61 HG23 THR 61 -1.634 -3.454 -2.863
476 2HG2 THR 61 HG22 THR 61 -2.773 -2.147 -3.183
477 3HG2 THR 61 HG21 THR 61 -1.353 -1.855 -2.178
478 H ALA 62 HN ALA 62 -1.784 -5.284 -3.073
479 HA ALA 62 HA ALA 62 -4.185 -5.999 -4.486
480 1HB ALA 62 HB2 ALA 62 -1.239 -6.614 -4.761
481 2HB ALA 62 HB1 ALA 62 -2.419 -7.242 -5.909
482 3HB ALA 62 HB3 ALA 62 -2.208 -5.501 -5.725
483 H ASP 63 HN ASP 63 -1.887 -7.770 -2.453
484 HA ASP 63 HA ASP 63 -3.292 -10.333 -2.870
485 1HB ASP 63 HB2 ASP 63 -0.714 -9.455 -2.142
486 2HB ASP 63 HB1 ASP 63 -1.371 -10.206 -0.687
487 H ALA 64 HN ALA 64 -3.619 -7.567 -0.942
488 HA ALA 64 HA ALA 64 -4.615 -8.828 1.491
489 1HB ALA 64 HB2 ALA 64 -3.672 -6.361 0.722
490 2HB ALA 64 HB1 ALA 64 -5.410 -6.067 0.773
491 3HB ALA 64 HB3 ALA 64 -4.571 -6.648 2.212
492 H GLY 65 HN GLY 65 -5.863 -7.706 -1.582
493 1HA GLY 65 HA2 GLY 65 -7.987 -9.099 -2.140
494 2HA GLY 65 HA1 GLY 65 -8.631 -8.343 -0.687
495 H TYR 66 HN TYR 66 -6.531 -6.467 -2.803
496 HA TYR 66 HA TYR 66 -8.923 -5.182 -4.034
497 1HB TYR 66 HB2 TYR 66 -6.756 -3.715 -2.522
498 2HB TYR 66 HB1 TYR 66 -8.221 -3.018 -3.210
499 HD1 TYR 66 HD1 TYR 66 -10.448 -4.300 -2.427
500 HD2 TYR 66 HD2 TYR 66 -6.730 -4.136 -0.317
501 HE1 TYR 66 HE1 TYR 66 -11.640 -4.744 -0.313
502 HE2 TYR 66 HE2 TYR 66 -7.903 -4.558 1.803
503 HH TYR 66 HH TYR 66 -11.302 -5.448 1.878
504 HA PRO 67 HA PRO 67 -5.857 -5.223 -7.369
505 1HB PRO 67 HB2 PRO 67 -7.750 -3.892 -9.047
506 2HB PRO 67 HB1 PRO 67 -7.377 -5.619 -9.035
507 1HG PRO 67 HG2 PRO 67 -9.772 -4.291 -8.091
508 2HG PRO 67 HG1 PRO 67 -9.449 -6.023 -8.213
509 1HD PRO 67 HD2 PRO 67 -9.583 -4.439 -5.822
510 2HD PRO 67 HD1 PRO 67 -9.167 -6.165 -5.954
511 H SER 68 HN SER 68 -4.522 -3.565 -6.376
512 HA SER 68 HA SER 68 -5.538 -0.772 -6.600
513 1HB SER 68 HB2 SER 68 -4.886 -0.895 -4.436
514 2HB SER 68 HB1 SER 68 -3.955 -2.361 -4.723
515 HG SER 68 HG SER 68 -2.265 -1.096 -5.474
516 H SER 69 HN SER 69 -3.404 0.751 -6.586
517 HA SER 69 HA SER 69 -1.439 -0.074 -8.642
518 1HB SER 69 HB2 SER 69 -3.807 1.568 -9.044
519 2HB SER 69 HB1 SER 69 -2.344 2.486 -9.389
520 HG SER 69 HG SER 69 -2.240 1.398 -11.172
521 H VAL 70 HN VAL 70 -0.353 2.500 -8.995
522 HA VAL 70 HA VAL 70 0.161 3.433 -6.221
523 HB VAL 70 HB VAL 70 1.662 1.600 -7.200
524 1HG1 VAL 70 HG11 VAL 70 1.826 3.355 -9.316
525 2HG1 VAL 70 HG13 VAL 70 3.333 3.675 -8.458
526 3HG1 VAL 70 HG12 VAL 70 2.963 2.042 -9.011
527 1HG2 VAL 70 HG21 VAL 70 2.196 3.887 -5.561
528 2HG2 VAL 70 HG23 VAL 70 2.949 2.295 -5.479
529 3HG2 VAL 70 HG22 VAL 70 3.641 3.547 -6.511
530 H LYS 71 HN LYS 71 1.187 5.560 -6.096
531 HA LYS 71 HA LYS 71 0.713 7.162 -8.590
532 1HB LYS 71 HB2 LYS 71 0.738 8.336 -5.833
533 2HB LYS 71 HB1 LYS 71 -0.166 8.867 -7.247
534 1HG LYS 71 HG2 LYS 71 -1.086 6.267 -6.760
535 2HG LYS 71 HG1 LYS 71 -0.953 7.005 -5.162
536 1HD LYS 71 HD2 LYS 71 -2.126 8.690 -7.303
537 2HD LYS 71 HD1 LYS 71 -3.107 7.331 -6.754
538 1HE LYS 71 HE2 LYS 71 -2.712 8.136 -4.372
539 2HE LYS 71 HE1 LYS 71 -2.012 9.608 -5.073
540 1HZ LYS 71 HZ2 LYS 71 -4.533 8.704 -6.210
541 2HZ LYS 71 HZ1 LYS 71 -4.616 9.329 -4.632
542 3HZ LYS 71 HZ3 LYS 71 -3.992 10.282 -5.888
543 H GLN 72 HN GLN 72 3.096 5.790 -7.332
544 HA GLN 72 HA GLN 72 5.440 6.189 -7.204
545 1HB GLN 72 HB2 GLN 72 4.223 8.104 -9.122
546 2HB GLN 72 HB1 GLN 72 5.862 8.483 -8.595
547 1HG GLN 72 HG2 GLN 72 6.384 5.998 -9.115
548 2HG GLN 72 HG1 GLN 72 4.875 6.023 -10.030
549 1HE2 GLN 72 HE22 GLN 72 7.728 7.053 -12.275
550 2HE2 GLN 72 HE21 GLN 72 7.448 5.689 -11.304
No H/Q in entry = 550
Start of MODEL 2
1 1H ALA 1 HT2 ALA 1 18.182 3.986 1.683
2 2H ALA 1 HT1 ALA 1 18.976 3.599 0.231
3 3H ALA 1 HT3 ALA 1 17.930 4.933 0.294
4 HA ALA 1 HA ALA 1 16.613 3.338 -0.737
5 1HB ALA 1 HB3 ALA 1 18.416 1.653 0.877
6 2HB ALA 1 HB2 ALA 1 16.788 1.001 0.693
7 3HB ALA 1 HB1 ALA 1 17.758 1.368 -0.734
8 H THR 2 HN THR 2 15.325 5.009 0.579
9 HA THR 2 HA THR 2 13.526 3.625 2.433
10 HB THR 2 HB THR 2 13.935 6.036 3.658
11 HG1 THR 2 HG1 THR 2 16.459 5.051 2.851
12 1HG2 THR 2 HG22 THR 2 15.390 3.439 4.190
13 2HG2 THR 2 HG21 THR 2 15.184 4.746 5.356
14 3HG2 THR 2 HG23 THR 2 13.778 3.856 4.772
15 H GLN 3 HN GLN 3 12.057 3.962 0.618
16 HA GLN 3 HA GLN 3 11.404 6.851 0.106
17 1HB GLN 3 HB2 GLN 3 10.968 4.432 -1.666
18 2HB GLN 3 HB1 GLN 3 10.781 6.125 -2.127
19 1HG GLN 3 HG2 GLN 3 13.403 5.536 -0.951
20 2HG GLN 3 HG1 GLN 3 13.091 4.639 -2.437
21 1HE2 GLN 3 HE22 GLN 3 13.689 7.457 -4.441
22 2HE2 GLN 3 HE21 GLN 3 13.660 5.767 -4.294
23 H THR 4 HN THR 4 9.150 7.336 -0.360
24 HA THR 4 HA THR 4 7.184 5.378 0.759
25 HB THR 4 HB THR 4 7.704 6.944 2.517
26 HG1 THR 4 HG1 THR 4 5.431 8.054 1.269
27 1HG2 THR 4 HG21 THR 4 8.834 8.619 1.105
28 2HG2 THR 4 HG23 THR 4 7.276 9.114 0.443
29 3HG2 THR 4 HG22 THR 4 7.634 9.380 2.150
30 H VAL 5 HN VAL 5 5.395 5.194 -0.536
31 HA VAL 5 HA VAL 5 4.813 7.356 -2.553
32 HB VAL 5 HB VAL 5 5.906 5.735 -3.800
33 1HG1 VAL 5 HG11 VAL 5 4.538 3.691 -2.042
34 2HG1 VAL 5 HG13 VAL 5 5.443 3.261 -3.493
35 3HG1 VAL 5 HG12 VAL 5 6.266 4.033 -2.138
36 1HG2 VAL 5 HG23 VAL 5 3.620 6.203 -4.669
37 2HG2 VAL 5 HG22 VAL 5 4.236 4.624 -5.133
38 3HG2 VAL 5 HG21 VAL 5 3.051 4.756 -3.835
39 H THR 6 HN THR 6 2.603 7.057 -3.420
40 HA THR 6 HA THR 6 0.765 6.181 -1.241
41 HB THR 6 HB THR 6 -0.735 7.688 -2.883
42 HG1 THR 6 HG1 THR 6 1.692 9.020 -3.151
43 1HG2 THR 6 HG21 THR 6 -0.227 8.150 -0.507
44 2HG2 THR 6 HG23 THR 6 1.333 8.819 -0.986
45 3HG2 THR 6 HG22 THR 6 -0.159 9.618 -1.483
46 H LEU 7 HN LEU 7 -1.165 4.971 -2.006
47 HA LEU 7 HA LEU 7 -0.733 3.708 -4.678
48 1HB LEU 7 HB2 LEU 7 -0.662 2.642 -1.958
49 2HB LEU 7 HB1 LEU 7 -1.807 1.773 -2.976
50 HG LEU 7 HG LEU 7 -0.147 1.153 -4.517
51 1HD1 LEU 7 HD13 LEU 7 1.491 3.357 -3.300
52 2HD1 LEU 7 HD12 LEU 7 2.218 2.099 -4.299
53 3HD1 LEU 7 HD11 LEU 7 0.993 3.160 -4.974
54 1HD2 LEU 7 HD22 LEU 7 1.169 1.200 -1.789
55 2HD2 LEU 7 HD21 LEU 7 0.148 -0.090 -2.427
56 3HD2 LEU 7 HD23 LEU 7 1.726 0.226 -3.147
57 H ALA 8 HN ALA 8 -2.668 2.848 -5.626
58 HA ALA 8 HA ALA 8 -5.152 4.225 -4.647
59 1HB ALA 8 HB2 ALA 8 -3.815 3.885 -7.188
60 2HB ALA 8 HB1 ALA 8 -5.455 3.246 -7.285
61 3HB ALA 8 HB3 ALA 8 -5.189 4.919 -6.797
62 H VAL 9 HN VAL 9 -6.415 2.788 -3.501
63 HA VAL 9 HA VAL 9 -6.701 0.003 -4.586
64 HB VAL 9 HB VAL 9 -5.515 -0.141 -2.532
65 1HG1 VAL 9 HG13 VAL 9 -7.179 2.230 -1.824
66 2HG1 VAL 9 HG12 VAL 9 -6.709 1.164 -0.501
67 3HG1 VAL 9 HG11 VAL 9 -5.472 1.920 -1.505
68 1HG2 VAL 9 HG21 VAL 9 -8.223 -0.992 -2.628
69 2HG2 VAL 9 HG23 VAL 9 -6.921 -1.660 -1.646
70 3HG2 VAL 9 HG22 VAL 9 -7.942 -0.378 -1.000
71 HA PRO 10 HA PRO 10 -10.864 1.981 -4.625
72 1HB PRO 10 HB2 PRO 10 -11.486 0.721 -7.054
73 2HB PRO 10 HB1 PRO 10 -10.884 2.371 -6.864
74 1HG PRO 10 HG2 PRO 10 -9.511 0.061 -7.970
75 2HG PRO 10 HG1 PRO 10 -8.991 1.749 -7.948
76 1HD PRO 10 HD2 PRO 10 -8.034 -0.438 -6.298
77 2HD PRO 10 HD1 PRO 10 -7.465 1.250 -6.326
78 H GLY 11 HN GLY 11 -10.634 -0.113 -2.871
79 1HA GLY 11 HA2 GLY 11 -12.386 -2.282 -3.933
80 2HA GLY 11 HA1 GLY 11 -11.378 -2.418 -2.490
81 H MET 12 HN MET 12 -12.172 0.333 -1.655
82 HA MET 12 HA MET 12 -13.650 1.000 0.108
83 1HB MET 12 HB2 MET 12 -15.632 1.880 -0.992
84 2HB MET 12 HB1 MET 12 -14.269 2.020 -2.098
85 1HG MET 12 HG2 MET 12 -15.031 -0.243 -3.059
86 2HG MET 12 HG1 MET 12 -16.529 0.015 -2.170
87 1HE MET 12 HE3 MET 12 -17.269 2.327 -1.897
88 2HE MET 12 HE2 MET 12 -16.788 3.689 -2.904
89 3HE MET 12 HE1 MET 12 -18.250 2.786 -3.296
90 H THR 13 HN THR 13 -13.394 -1.453 0.869
91 HA THR 13 HA THR 13 -15.903 -2.992 0.691
92 HB THR 13 HB THR 13 -14.334 -4.228 2.553
93 HG1 THR 13 HG1 THR 13 -12.214 -3.785 1.164
94 1HG2 THR 13 HG22 THR 13 -14.551 -4.313 -0.411
95 2HG2 THR 13 HG21 THR 13 -13.216 -5.208 0.313
96 3HG2 THR 13 HG23 THR 13 -14.877 -5.575 0.777
97 H CYS 14 HN CYS 14 -15.341 -0.241 2.164
98 HA CYS 14 HA CYS 14 -16.380 0.832 3.985
99 1HB CYS 14 HB2 CYS 14 -18.093 -1.059 3.271
100 2HB CYS 14 HB1 CYS 14 -17.584 -1.801 4.787
101 HG CYS 14 HG CYS 14 -18.235 0.668 5.858
102 H ALA 15 HN ALA 15 -14.351 1.097 5.073
103 HA ALA 15 HA ALA 15 -12.874 0.830 6.899
104 1HB ALA 15 HB1 ALA 15 -15.412 0.445 7.763
105 2HB ALA 15 HB3 ALA 15 -14.724 -1.130 8.157
106 3HB ALA 15 HB2 ALA 15 -14.014 0.336 8.834
107 H ALA 16 HN ALA 16 -13.215 -1.321 4.608
108 HA ALA 16 HA ALA 16 -11.655 -3.473 6.014
109 1HB ALA 16 HB3 ALA 16 -13.964 -3.448 4.231
110 2HB ALA 16 HB2 ALA 16 -12.672 -4.470 3.602
111 3HB ALA 16 HB1 ALA 16 -13.330 -4.772 5.210
112 H CYS 17 HN CYS 17 -12.073 -1.708 2.945
113 HA CYS 17 HA CYS 17 -9.872 -2.650 1.481
114 1HB CYS 17 HB2 CYS 17 -11.779 -0.652 1.317
115 2HB CYS 17 HB1 CYS 17 -10.266 0.252 1.362
116 HG CYS 17 HG CYS 17 -9.643 -1.732 -0.604
117 HA PRO 18 HA PRO 18 -7.102 0.699 3.599
118 1HB PRO 18 HB2 PRO 18 -8.236 1.603 6.025
119 2HB PRO 18 HB1 PRO 18 -8.129 2.497 4.505
120 1HG PRO 18 HG2 PRO 18 -10.479 1.407 5.782
121 2HG PRO 18 HG1 PRO 18 -10.375 2.389 4.319
122 1HD PRO 18 HD2 PRO 18 -10.912 -0.450 4.532
123 2HD PRO 18 HD1 PRO 18 -10.879 0.560 3.068
124 H ILE 19 HN ILE 19 -8.734 -1.829 5.314
125 HA ILE 19 HA ILE 19 -6.696 -1.945 7.470
126 HB ILE 19 HB ILE 19 -9.243 -3.412 6.759
127 1HG1 ILE 19 HG12 ILE 19 -9.498 -1.245 7.858
128 2HG1 ILE 19 HG11 ILE 19 -9.923 -2.526 8.993
129 1HG2 ILE 19 HG21 ILE 19 -7.565 -5.037 7.643
130 2HG2 ILE 19 HG23 ILE 19 -7.390 -4.029 9.080
131 3HG2 ILE 19 HG22 ILE 19 -8.932 -4.811 8.734
132 1HD1 ILE 19 HD13 ILE 19 -7.184 -2.218 9.359
133 2HD1 ILE 19 HD12 ILE 19 -7.760 -0.566 9.138
134 3HD1 ILE 19 HD11 ILE 19 -8.444 -1.576 10.412
135 H THR 20 HN THR 20 -7.837 -3.792 4.702
136 HA THR 20 HA THR 20 -5.956 -5.966 4.957
137 HB THR 20 HB THR 20 -7.973 -4.871 3.034
138 HG1 THR 20 HG1 THR 20 -8.120 -6.499 4.924
139 1HG2 THR 20 HG23 THR 20 -5.986 -7.055 2.396
140 2HG2 THR 20 HG22 THR 20 -7.451 -6.737 1.468
141 3HG2 THR 20 HG21 THR 20 -6.177 -5.520 1.551
142 H VAL 21 HN VAL 21 -6.144 -2.957 3.046
143 HA VAL 21 HA VAL 21 -3.765 -3.466 1.528
144 HB VAL 21 HB VAL 21 -5.221 -0.916 2.291
145 1HG1 VAL 21 HG12 VAL 21 -2.973 -1.519 0.399
146 2HG1 VAL 21 HG11 VAL 21 -4.135 -0.262 -0.023
147 3HG1 VAL 21 HG13 VAL 21 -3.192 -0.131 1.461
148 1HG2 VAL 21 HG23 VAL 21 -6.541 -2.702 1.078
149 2HG2 VAL 21 HG22 VAL 21 -6.398 -1.182 0.195
150 3HG2 VAL 21 HG21 VAL 21 -5.394 -2.560 -0.250
151 H LYS 22 HN LYS 22 -4.442 -1.442 4.384
152 HA LYS 22 HA LYS 22 -1.918 -0.383 4.912
153 1HB LYS 22 HB2 LYS 22 -3.900 0.128 6.214
154 2HB LYS 22 HB1 LYS 22 -4.008 -1.540 6.780
155 1HG LYS 22 HG2 LYS 22 -2.087 -1.330 8.136
156 2HG LYS 22 HG1 LYS 22 -1.542 0.120 7.290
157 1HD LYS 22 HD2 LYS 22 -3.107 1.490 8.352
158 2HD LYS 22 HD1 LYS 22 -4.183 0.142 8.722
159 1HE LYS 22 HE2 LYS 22 -1.777 -0.492 10.032
160 2HE LYS 22 HE1 LYS 22 -2.034 1.237 10.339
161 1HZ LYS 22 HZ2 LYS 22 -4.506 0.396 10.597
162 2HZ LYS 22 HZ1 LYS 22 -3.724 -1.044 11.045
163 3HZ LYS 22 HZ3 LYS 22 -3.425 0.385 11.907
164 H LYS 23 HN LYS 23 -3.114 -3.569 6.082
165 HA LYS 23 HA LYS 23 -0.546 -4.306 7.188
166 1HB LYS 23 HB2 LYS 23 -1.658 -6.376 7.672
167 2HB LYS 23 HB1 LYS 23 -2.875 -5.109 7.831
168 1HG LYS 23 HG2 LYS 23 -4.130 -6.215 6.323
169 2HG LYS 23 HG1 LYS 23 -2.904 -5.845 5.111
170 1HD LYS 23 HD2 LYS 23 -2.362 -8.023 4.989
171 2HD LYS 23 HD1 LYS 23 -1.939 -8.015 6.701
172 1HE LYS 23 HE2 LYS 23 -4.331 -8.412 7.278
173 2HE LYS 23 HE1 LYS 23 -4.711 -8.497 5.546
174 1HZ LYS 23 HZ3 LYS 23 -2.441 -10.080 6.427
175 2HZ LYS 23 HZ2 LYS 23 -3.956 -10.617 6.978
176 3HZ LYS 23 HZ1 LYS 23 -3.661 -10.463 5.312
177 H ALA 24 HN ALA 24 -1.900 -4.541 4.005
178 HA ALA 24 HA ALA 24 -0.377 -6.750 3.028
179 1HB ALA 24 HB3 ALA 24 -2.404 -5.103 2.162
180 2HB ALA 24 HB2 ALA 24 -1.058 -4.605 1.139
181 3HB ALA 24 HB1 ALA 24 -1.577 -6.290 1.154
182 H LEU 25 HN LEU 25 0.092 -3.239 2.598
183 HA LEU 25 HA LEU 25 2.687 -3.500 1.360
184 1HB LEU 25 HB2 LEU 25 1.308 -1.202 2.780
185 2HB LEU 25 HB1 LEU 25 2.656 -1.052 1.649
186 HG LEU 25 HG LEU 25 0.926 -2.563 0.187
187 1HD1 LEU 25 HD12 LEU 25 -0.616 -1.221 2.280
188 2HD1 LEU 25 HD11 LEU 25 -1.174 -0.847 0.648
189 3HD1 LEU 25 HD13 LEU 25 -1.089 -2.524 1.188
190 1HD2 LEU 25 HD21 LEU 25 1.645 0.289 0.403
191 2HD2 LEU 25 HD23 LEU 25 1.688 -0.778 -1.000
192 3HD2 LEU 25 HD22 LEU 25 0.167 -0.034 -0.503
193 H SER 26 HN SER 26 1.542 -3.182 4.665
194 HA SER 26 HA SER 26 4.137 -2.499 5.809
195 1HB SER 26 HB2 SER 26 2.465 -1.902 7.264
196 2HB SER 26 HB1 SER 26 1.368 -3.142 6.661
197 HG SER 26 HG SER 26 2.287 -3.376 8.877
198 H LYS 27 HN LYS 27 2.613 -5.423 4.698
199 HA LYS 27 HA LYS 27 4.684 -7.020 6.137
200 1HB LYS 27 HB2 LYS 27 3.096 -8.855 6.010
201 2HB LYS 27 HB1 LYS 27 2.253 -7.438 6.637
202 1HG LYS 27 HG2 LYS 27 0.777 -8.233 4.991
203 2HG LYS 27 HG1 LYS 27 1.671 -6.974 4.141
204 1HD LYS 27 HD2 LYS 27 2.558 -8.447 2.701
205 2HD LYS 27 HD1 LYS 27 3.046 -9.526 4.008
206 1HE LYS 27 HE2 LYS 27 0.188 -9.645 3.790
207 2HE LYS 27 HE1 LYS 27 0.886 -9.894 2.177
208 1HZ LYS 27 HZ1 LYS 27 2.120 -11.184 4.517
209 2HZ LYS 27 HZ3 LYS 27 0.743 -11.885 3.818
210 3HZ LYS 27 HZ2 LYS 27 2.148 -11.664 2.888
211 H VAL 28 HN VAL 28 4.086 -5.655 3.196
212 HA VAL 28 HA VAL 28 4.364 -7.661 1.249
213 HB VAL 28 HB VAL 28 3.971 -5.163 1.000
214 1HG1 VAL 28 HG13 VAL 28 5.931 -4.485 2.399
215 2HG1 VAL 28 HG12 VAL 28 6.999 -5.075 1.126
216 3HG1 VAL 28 HG11 VAL 28 5.920 -3.716 0.812
217 1HG2 VAL 28 HG23 VAL 28 6.005 -6.618 -0.703
218 2HG2 VAL 28 HG22 VAL 28 4.274 -6.448 -0.994
219 3HG2 VAL 28 HG21 VAL 28 5.338 -5.050 -1.154
220 H GLU 29 HN GLU 29 7.031 -5.933 2.969
221 HA GLU 29 HA GLU 29 8.708 -8.258 3.034
222 1HB GLU 29 HB2 GLU 29 8.548 -6.728 0.549
223 2HB GLU 29 HB1 GLU 29 10.204 -6.876 1.139
224 1HG GLU 29 HG2 GLU 29 9.177 -9.414 1.543
225 2HG GLU 29 HG1 GLU 29 8.440 -8.928 0.016
226 H GLY 30 HN GLY 30 10.021 -5.194 1.911
227 1HA GLY 30 HA2 GLY 30 11.418 -4.917 4.506
228 2HA GLY 30 HA1 GLY 30 11.847 -4.084 3.015
229 H VAL 31 HN VAL 31 8.534 -3.863 3.352
230 HA VAL 31 HA VAL 31 8.297 -1.108 3.595
231 HB VAL 31 HB VAL 31 6.446 -2.706 3.225
232 1HG1 VAL 31 HG13 VAL 31 7.478 -4.020 5.407
233 2HG1 VAL 31 HG12 VAL 31 6.060 -3.232 6.098
234 3HG1 VAL 31 HG11 VAL 31 5.881 -4.320 4.722
235 1HG2 VAL 31 HG23 VAL 31 6.309 -0.307 4.486
236 2HG2 VAL 31 HG22 VAL 31 4.883 -1.268 4.099
237 3HG2 VAL 31 HG21 VAL 31 5.581 -1.336 5.718
238 H SER 32 HN SER 32 8.348 0.365 5.178
239 HA SER 32 HA SER 32 9.258 -0.536 7.881
240 1HB SER 32 HB2 SER 32 10.658 0.933 6.159
241 2HB SER 32 HB1 SER 32 9.661 2.234 6.805
242 HG SER 32 HG SER 32 11.575 1.970 8.011
243 H LYS 33 HN LYS 33 6.868 1.092 6.055
244 HA LYS 33 HA LYS 33 5.236 1.530 8.460
245 1HB LYS 33 HB2 LYS 33 6.293 3.544 8.795
246 2HB LYS 33 HB1 LYS 33 6.796 3.677 7.115
247 1HG LYS 33 HG2 LYS 33 4.560 4.372 6.448
248 2HG LYS 33 HG1 LYS 33 3.950 4.090 8.078
249 1HD LYS 33 HD2 LYS 33 5.870 5.774 8.755
250 2HD LYS 33 HD1 LYS 33 5.722 6.291 7.075
251 1HE LYS 33 HE2 LYS 33 3.127 5.953 8.437
252 2HE LYS 33 HE1 LYS 33 4.142 7.241 9.115
253 1HZ LYS 33 HZ2 LYS 33 3.572 6.860 6.222
254 2HZ LYS 33 HZ1 LYS 33 2.831 8.025 7.212
255 3HZ LYS 33 HZ3 LYS 33 4.497 8.112 6.905
256 H VAL 34 HN VAL 34 3.043 2.366 7.838
257 HA VAL 34 HA VAL 34 2.346 2.434 4.985
258 HB VAL 34 HB VAL 34 2.707 0.006 5.651
259 1HG1 VAL 34 HG11 VAL 34 0.272 0.638 7.346
260 2HG1 VAL 34 HG13 VAL 34 0.830 -0.997 6.986
261 3HG1 VAL 34 HG12 VAL 34 1.848 0.097 7.923
262 1HG2 VAL 34 HG22 VAL 34 1.230 0.758 3.760
263 2HG2 VAL 34 HG21 VAL 34 0.718 -0.765 4.488
264 3HG2 VAL 34 HG23 VAL 34 -0.136 0.728 4.876
265 H ASP 35 HN ASP 35 0.038 2.939 4.690
266 HA ASP 35 HA ASP 35 -1.687 3.363 7.008
267 1HB ASP 35 HB2 ASP 35 -0.220 5.235 7.353
268 2HB ASP 35 HB1 ASP 35 -0.253 5.657 5.642
269 H VAL 36 HN VAL 36 -3.741 4.605 6.227
270 HA VAL 36 HA VAL 36 -4.171 4.259 3.289
271 HB VAL 36 HB VAL 36 -6.398 3.166 4.019
272 1HG1 VAL 36 HG13 VAL 36 -3.672 2.079 3.898
273 2HG1 VAL 36 HG12 VAL 36 -4.793 1.057 4.798
274 3HG1 VAL 36 HG11 VAL 36 -5.149 1.497 3.127
275 1HG2 VAL 36 HG21 VAL 36 -5.506 3.905 6.526
276 2HG2 VAL 36 HG23 VAL 36 -6.750 2.695 6.213
277 3HG2 VAL 36 HG22 VAL 36 -5.078 2.195 6.463
278 H GLY 37 HN GLY 37 -6.186 5.348 2.557
279 1HA GLY 37 HA2 GLY 37 -7.409 7.286 4.411
280 2HA GLY 37 HA1 GLY 37 -6.487 7.984 3.078
281 H PHE 38 HN PHE 38 -9.544 6.911 3.977
282 HA PHE 38 HA PHE 38 -10.482 5.823 1.470
283 1HB PHE 38 HB2 PHE 38 -11.440 6.415 4.111
284 2HB PHE 38 HB1 PHE 38 -12.582 7.075 2.939
285 HD1 PHE 38 HD2 PHE 38 -13.316 5.531 0.992
286 HD2 PHE 38 HD1 PHE 38 -11.425 4.102 4.574
287 HE1 PHE 38 HE2 PHE 38 -14.163 3.246 0.529
288 HE2 PHE 38 HE1 PHE 38 -12.275 1.818 4.112
289 HZ PHE 38 HZ PHE 38 -13.657 1.392 2.098
290 H GLU 39 HN GLU 39 -9.908 9.069 2.609
291 HA GLU 39 HA GLU 39 -11.681 10.668 1.180
292 1HB GLU 39 HB2 GLU 39 -9.188 10.902 2.464
293 2HB GLU 39 HB1 GLU 39 -8.925 11.553 0.845
294 1HG GLU 39 HG2 GLU 39 -11.401 12.367 2.318
295 2HG GLU 39 HG1 GLU 39 -9.866 13.100 2.785
296 H LYS 40 HN LYS 40 -8.720 9.115 -0.065
297 HA LYS 40 HA LYS 40 -9.794 9.478 -2.838
298 1HB LYS 40 HB2 LYS 40 -7.095 9.946 -1.609
299 2HB LYS 40 HB1 LYS 40 -7.193 9.485 -3.309
300 1HG LYS 40 HG2 LYS 40 -8.950 11.372 -3.517
301 2HG LYS 40 HG1 LYS 40 -8.328 11.935 -1.965
302 1HD LYS 40 HD2 LYS 40 -5.998 11.812 -3.035
303 2HD LYS 40 HD1 LYS 40 -6.837 11.658 -4.579
304 1HE LYS 40 HE2 LYS 40 -8.002 13.828 -3.062
305 2HE LYS 40 HE1 LYS 40 -6.249 14.061 -3.214
306 1HZ LYS 40 HZ3 LYS 40 -7.629 13.044 -5.564
307 2HZ LYS 40 HZ2 LYS 40 -7.949 14.663 -5.163
308 3HZ LYS 40 HZ1 LYS 40 -6.353 14.156 -5.455
309 H ARG 41 HN ARG 41 -9.896 7.221 -0.824
310 HA ARG 41 HA ARG 41 -9.396 4.905 -0.708
311 1HB ARG 41 HB2 ARG 41 -10.112 5.649 -3.537
312 2HB ARG 41 HB1 ARG 41 -9.742 3.973 -3.148
313 1HG ARG 41 HG2 ARG 41 -11.997 5.686 -2.127
314 2HG ARG 41 HG1 ARG 41 -12.077 4.103 -2.893
315 1HD ARG 41 HD2 ARG 41 -11.256 4.780 -0.064
316 2HD ARG 41 HD1 ARG 41 -12.443 3.586 -0.622
317 HE ARG 41 HE ARG 41 -10.066 2.750 -1.778
318 1HH1 ARG 41 HH21 ARG 41 -11.156 3.501 1.411
319 2HH1 ARG 41 HH22 ARG 41 -10.088 2.382 2.181
320 1HH2 ARG 41 HH11 ARG 41 -8.658 1.302 -0.773
321 2HH2 ARG 41 HH12 ARG 41 -8.672 1.144 0.949
322 H GLU 42 HN GLU 42 -6.992 5.945 -0.406
323 HA GLU 42 HA GLU 42 -5.287 4.356 -2.269
324 1HB GLU 42 HB2 GLU 42 -3.737 6.377 -2.293
325 2HB GLU 42 HB1 GLU 42 -5.266 6.605 -3.143
326 1HG GLU 42 HG2 GLU 42 -6.206 7.813 -1.282
327 2HG GLU 42 HG1 GLU 42 -4.827 7.410 -0.258
328 H ALA 43 HN ALA 43 -3.307 3.623 -1.267
329 HA ALA 43 HA ALA 43 -3.245 4.066 1.703
330 1HB ALA 43 HB3 ALA 43 -3.447 1.726 0.100
331 2HB ALA 43 HB2 ALA 43 -1.830 1.711 0.805
332 3HB ALA 43 HB1 ALA 43 -3.247 1.805 1.850
333 H VAL 44 HN VAL 44 -1.349 4.976 2.478
334 HA VAL 44 HA VAL 44 0.850 5.375 0.494
335 HB VAL 44 HB VAL 44 -0.302 7.322 1.563
336 1HG1 VAL 44 HG12 VAL 44 -0.311 5.775 3.807
337 2HG1 VAL 44 HG11 VAL 44 1.053 6.839 4.147
338 3HG1 VAL 44 HG13 VAL 44 -0.540 7.523 3.820
339 1HG2 VAL 44 HG23 VAL 44 2.283 7.104 0.974
340 2HG2 VAL 44 HG22 VAL 44 1.665 8.539 1.792
341 3HG2 VAL 44 HG21 VAL 44 2.463 7.270 2.721
342 H VAL 45 HN VAL 45 2.755 4.347 0.819
343 HA VAL 45 HA VAL 45 3.271 3.153 3.517
344 HB VAL 45 HB VAL 45 2.356 1.680 1.622
345 1HG1 VAL 45 HG13 VAL 45 3.849 2.723 -0.118
346 2HG1 VAL 45 HG12 VAL 45 5.212 1.909 0.651
347 3HG1 VAL 45 HG11 VAL 45 3.913 0.961 -0.074
348 1HG2 VAL 45 HG22 VAL 45 4.789 1.189 3.291
349 2HG2 VAL 45 HG21 VAL 45 3.202 0.424 3.378
350 3HG2 VAL 45 HG23 VAL 45 4.336 -0.037 2.108
351 H THR 46 HN THR 46 5.357 3.182 4.218
352 HA THR 46 HA THR 46 7.423 4.524 2.507
353 HB THR 46 HB THR 46 6.752 4.403 5.441
354 HG1 THR 46 HG1 THR 46 6.441 6.433 5.077
355 1HG2 THR 46 HG22 THR 46 9.467 4.430 4.261
356 2HG2 THR 46 HG21 THR 46 9.163 5.647 5.502
357 3HG2 THR 46 HG23 THR 46 8.942 3.936 5.871
358 H PHE 47 HN PHE 47 9.626 3.419 2.665
359 HA PHE 47 HA PHE 47 9.771 0.871 4.048
360 1HB PHE 47 HB2 PHE 47 9.630 -0.548 2.044
361 2HB PHE 47 HB1 PHE 47 8.144 0.380 2.252
362 HD1 PHE 47 HD2 PHE 47 11.392 0.286 0.392
363 HD2 PHE 47 HD1 PHE 47 7.440 1.971 0.638
364 HE1 PHE 47 HE2 PHE 47 11.691 1.308 -1.836
365 HE2 PHE 47 HE1 PHE 47 7.742 2.992 -1.600
366 HZ PHE 47 HZ PHE 47 9.860 2.661 -2.837
367 H ASP 48 HN ASP 48 11.560 -0.521 2.888
368 HA ASP 48 HA ASP 48 13.860 1.323 2.413
369 1HB ASP 48 HB2 ASP 48 13.727 -1.585 3.293
370 2HB ASP 48 HB1 ASP 48 15.194 -0.609 3.203
371 H ASP 49 HN ASP 49 14.220 1.507 0.245
372 HA ASP 49 HA ASP 49 13.139 -0.184 -1.754
373 1HB ASP 49 HB2 ASP 49 13.868 2.051 -2.223
374 2HB ASP 49 HB1 ASP 49 15.505 1.699 -1.668
375 H THR 50 HN THR 50 15.744 -0.817 0.356
376 HA THR 50 HA THR 50 17.443 -2.395 -1.355
377 HB THR 50 HB THR 50 17.953 -1.369 0.903
378 HG1 THR 50 HG1 THR 50 19.224 -3.054 -0.041
379 1HG2 THR 50 HG23 THR 50 15.722 -2.318 1.833
380 2HG2 THR 50 HG22 THR 50 16.629 -3.814 2.060
381 3HG2 THR 50 HG21 THR 50 17.138 -2.341 2.885
382 H LYS 51 HN LYS 51 14.427 -3.098 0.322
383 HA LYS 51 HA LYS 51 14.663 -5.931 -0.618
384 1HB LYS 51 HB2 LYS 51 14.348 -4.794 2.017
385 2HB LYS 51 HB1 LYS 51 12.965 -5.821 1.633
386 1HG LYS 51 HG2 LYS 51 14.287 -7.727 1.357
387 2HG LYS 51 HG1 LYS 51 15.750 -6.789 1.049
388 1HD LYS 51 HD2 LYS 51 16.249 -7.222 3.221
389 2HD LYS 51 HD1 LYS 51 15.067 -5.962 3.582
390 1HE LYS 51 HE2 LYS 51 13.277 -7.697 3.684
391 2HE LYS 51 HE1 LYS 51 14.510 -8.946 3.420
392 1HZ LYS 51 HZ2 LYS 51 15.077 -6.957 5.472
393 2HZ LYS 51 HZ1 LYS 51 13.861 -8.085 5.840
394 3HZ LYS 51 HZ3 LYS 51 15.422 -8.620 5.450
395 H ALA 52 HN ALA 52 12.805 -3.067 -0.645
396 HA ALA 52 HA ALA 52 10.630 -4.491 -2.085
397 1HB ALA 52 HB1 ALA 52 10.420 -3.969 0.581
398 2HB ALA 52 HB3 ALA 52 9.746 -2.486 -0.091
399 3HB ALA 52 HB2 ALA 52 9.034 -4.045 -0.507
400 H SER 53 HN SER 53 8.885 -2.458 -2.489
401 HA SER 53 HA SER 53 9.850 0.152 -2.981
402 1HB SER 53 HB2 SER 53 10.875 -1.945 -4.729
403 2HB SER 53 HB1 SER 53 10.047 -0.688 -5.644
404 HG SER 53 HG SER 53 11.374 0.724 -4.082
405 H VAL 54 HN VAL 54 8.493 1.232 -4.807
406 HA VAL 54 HA VAL 54 5.777 1.050 -4.440
407 HB VAL 54 HB VAL 54 6.706 2.764 -5.820
408 1HG1 VAL 54 HG11 VAL 54 7.674 0.492 -7.579
409 2HG1 VAL 54 HG13 VAL 54 7.793 2.197 -8.008
410 3HG1 VAL 54 HG12 VAL 54 8.678 1.575 -6.616
411 1HG2 VAL 54 HG23 VAL 54 4.481 1.389 -6.580
412 2HG2 VAL 54 HG22 VAL 54 5.054 2.841 -7.400
413 3HG2 VAL 54 HG21 VAL 54 5.455 1.251 -8.043
414 H GLN 55 HN GLN 55 7.729 -1.045 -6.536
415 HA GLN 55 HA GLN 55 5.672 -2.381 -7.937
416 1HB GLN 55 HB2 GLN 55 8.312 -2.465 -7.973
417 2HB GLN 55 HB1 GLN 55 8.082 -3.822 -6.869
418 1HG GLN 55 HG2 GLN 55 8.029 -4.914 -8.923
419 2HG GLN 55 HG1 GLN 55 6.314 -4.593 -8.666
420 1HE2 GLN 55 HE22 GLN 55 7.567 -3.334 -12.070
421 2HE2 GLN 55 HE21 GLN 55 7.877 -4.796 -11.264
422 H LYS 56 HN LYS 56 7.188 -3.283 -4.823
423 HA LYS 56 HA LYS 56 5.319 -5.472 -4.391
424 1HB LYS 56 HB2 LYS 56 7.172 -4.134 -2.406
425 2HB LYS 56 HB1 LYS 56 6.625 -5.811 -2.411
426 1HG LYS 56 HG2 LYS 56 8.532 -4.481 -4.344
427 2HG LYS 56 HG1 LYS 56 8.848 -5.854 -3.283
428 1HD LYS 56 HD2 LYS 56 6.788 -6.882 -4.661
429 2HD LYS 56 HD1 LYS 56 7.395 -5.765 -5.884
430 1HE LYS 56 HE2 LYS 56 9.448 -6.867 -6.068
431 2HE LYS 56 HE1 LYS 56 9.335 -7.557 -4.436
432 1HZ LYS 56 HZ2 LYS 56 7.190 -8.237 -6.279
433 2HZ LYS 56 HZ1 LYS 56 8.703 -8.927 -6.625
434 3HZ LYS 56 HZ3 LYS 56 7.971 -9.203 -5.120
435 H LEU 57 HN LEU 57 5.235 -2.039 -3.672
436 HA LEU 57 HA LEU 57 3.427 -2.289 -1.393
437 1HB LEU 57 HB2 LEU 57 3.826 0.024 -3.313
438 2HB LEU 57 HB1 LEU 57 3.225 0.113 -1.659
439 HG LEU 57 HG LEU 57 6.008 -0.780 -2.462
440 1HD1 LEU 57 HD11 LEU 57 4.763 1.815 -1.914
441 2HD1 LEU 57 HD13 LEU 57 6.172 1.499 -0.902
442 3HD1 LEU 57 HD12 LEU 57 6.320 1.453 -2.659
443 1HD2 LEU 57 HD23 LEU 57 4.479 -1.140 -0.048
444 2HD2 LEU 57 HD22 LEU 57 6.148 -1.613 -0.365
445 3HD2 LEU 57 HD21 LEU 57 5.792 -0.009 0.276
446 H THR 58 HN THR 58 2.972 -1.137 -4.754
447 HA THR 58 HA THR 58 0.129 -1.176 -4.740
448 HB THR 58 HB THR 58 2.223 -1.541 -6.905
449 HG1 THR 58 HG1 THR 58 1.731 0.484 -5.543
450 1HG2 THR 58 HG22 THR 58 -0.642 -1.911 -7.026
451 2HG2 THR 58 HG21 THR 58 -0.155 -0.540 -8.023
452 3HG2 THR 58 HG23 THR 58 0.561 -2.128 -8.298
453 H LYS 59 HN LYS 59 2.518 -3.739 -5.207
454 HA LYS 59 HA LYS 59 0.571 -5.676 -6.144
455 1HB LYS 59 HB2 LYS 59 2.865 -5.816 -6.884
456 2HB LYS 59 HB1 LYS 59 3.451 -5.792 -5.221
457 1HG LYS 59 HG2 LYS 59 3.472 -8.056 -5.415
458 2HG LYS 59 HG1 LYS 59 1.730 -7.931 -5.171
459 1HD LYS 59 HD2 LYS 59 2.479 -7.415 -7.943
460 2HD LYS 59 HD1 LYS 59 2.995 -9.015 -7.407
461 1HE LYS 59 HE2 LYS 59 0.734 -9.584 -6.716
462 2HE LYS 59 HE1 LYS 59 0.178 -7.930 -7.046
463 1HZ LYS 59 HZ2 LYS 59 1.127 -8.299 -9.357
464 2HZ LYS 59 HZ1 LYS 59 1.154 -9.954 -8.973
465 3HZ LYS 59 HZ3 LYS 59 -0.319 -9.112 -8.990
466 H ALA 60 HN ALA 60 1.813 -4.573 -3.091
467 HA ALA 60 HA ALA 60 1.110 -6.897 -1.544
468 1HB ALA 60 HB3 ALA 60 1.663 -3.986 -0.917
469 2HB ALA 60 HB2 ALA 60 1.392 -5.198 0.335
470 3HB ALA 60 HB1 ALA 60 2.775 -5.344 -0.747
471 H THR 61 HN THR 61 -0.429 -3.730 -2.123
472 HA THR 61 HA THR 61 -2.837 -4.370 -0.642
473 HB THR 61 HB THR 61 -2.010 -2.066 -1.092
474 HG1 THR 61 HG1 THR 61 -4.509 -2.959 -1.897
475 1HG2 THR 61 HG21 THR 61 -2.633 -2.780 -3.970
476 2HG2 THR 61 HG23 THR 61 -2.244 -1.159 -3.398
477 3HG2 THR 61 HG22 THR 61 -1.038 -2.441 -3.299
478 H ALA 62 HN ALA 62 -1.708 -4.558 -3.917
479 HA ALA 62 HA ALA 62 -4.155 -5.303 -5.211
480 1HB ALA 62 HB1 ALA 62 -1.236 -5.891 -5.797
481 2HB ALA 62 HB3 ALA 62 -2.546 -6.157 -6.947
482 3HB ALA 62 HB2 ALA 62 -2.167 -4.522 -6.404
483 H ASP 63 HN ASP 63 -1.742 -7.047 -3.349
484 HA ASP 63 HA ASP 63 -2.918 -9.683 -4.004
485 1HB ASP 63 HB2 ASP 63 -0.514 -9.535 -3.816
486 2HB ASP 63 HB1 ASP 63 -0.633 -8.692 -2.271
487 H ALA 64 HN ALA 64 -3.398 -7.125 -1.808
488 HA ALA 64 HA ALA 64 -4.274 -8.690 0.493
489 1HB ALA 64 HB1 ALA 64 -3.462 -6.134 0.068
490 2HB ALA 64 HB3 ALA 64 -5.208 -5.900 0.005
491 3HB ALA 64 HB2 ALA 64 -4.461 -6.592 1.445
492 H GLY 65 HN GLY 65 -5.647 -7.375 -2.441
493 1HA GLY 65 HA2 GLY 65 -7.710 -8.856 -3.057
494 2HA GLY 65 HA1 GLY 65 -8.362 -8.215 -1.555
495 H TYR 66 HN TYR 66 -6.399 -6.096 -3.543
496 HA TYR 66 HA TYR 66 -8.847 -4.882 -4.731
497 1HB TYR 66 HB2 TYR 66 -6.796 -3.385 -3.080
498 2HB TYR 66 HB1 TYR 66 -8.283 -2.729 -3.758
499 HD1 TYR 66 HD1 TYR 66 -10.463 -4.104 -3.082
500 HD2 TYR 66 HD2 TYR 66 -6.776 -3.996 -0.913
501 HE1 TYR 66 HE1 TYR 66 -11.669 -4.728 -1.021
502 HE2 TYR 66 HE2 TYR 66 -7.964 -4.610 1.156
503 HH TYR 66 HH TYR 66 -11.357 -5.554 1.121
504 HA PRO 67 HA PRO 67 -5.652 -4.808 -7.984
505 1HB PRO 67 HB2 PRO 67 -7.670 -3.440 -9.564
506 2HB PRO 67 HB1 PRO 67 -7.030 -5.072 -9.788
507 1HG PRO 67 HG2 PRO 67 -9.616 -4.334 -8.805
508 2HG PRO 67 HG1 PRO 67 -8.950 -5.961 -8.980
509 1HD PRO 67 HD2 PRO 67 -9.466 -4.532 -6.534
510 2HD PRO 67 HD1 PRO 67 -8.734 -6.146 -6.714
511 H SER 68 HN SER 68 -4.344 -3.175 -7.022
512 HA SER 68 HA SER 68 -5.441 -0.403 -7.031
513 1HB SER 68 HB2 SER 68 -4.695 -0.611 -4.906
514 2HB SER 68 HB1 SER 68 -3.805 -2.078 -5.298
515 HG SER 68 HG SER 68 -2.969 0.551 -5.182
516 H SER 69 HN SER 69 -3.298 1.140 -6.968
517 HA SER 69 HA SER 69 -1.419 0.503 -9.168
518 1HB SER 69 HB2 SER 69 -3.495 2.706 -9.075
519 2HB SER 69 HB1 SER 69 -2.062 2.828 -10.093
520 HG SER 69 HG SER 69 -3.584 1.881 -11.349
521 H VAL 70 HN VAL 70 -0.316 3.094 -9.287
522 HA VAL 70 HA VAL 70 0.292 3.714 -6.451
523 HB VAL 70 HB VAL 70 1.763 2.017 -7.669
524 1HG1 VAL 70 HG13 VAL 70 1.813 3.944 -9.624
525 2HG1 VAL 70 HG12 VAL 70 3.339 4.248 -8.794
526 3HG1 VAL 70 HG11 VAL 70 3.006 2.654 -9.470
527 1HG2 VAL 70 HG22 VAL 70 2.329 4.110 -5.823
528 2HG2 VAL 70 HG21 VAL 70 3.159 2.563 -5.980
529 3HG2 VAL 70 HG23 VAL 70 3.723 3.966 -6.886
530 H LYS 71 HN LYS 71 1.360 5.821 -6.149
531 HA LYS 71 HA LYS 71 0.850 7.650 -8.475
532 1HB LYS 71 HB2 LYS 71 0.666 8.534 -5.615
533 2HB LYS 71 HB1 LYS 71 -0.167 9.185 -7.023
534 1HG LYS 71 HG2 LYS 71 -1.034 6.546 -6.916
535 2HG LYS 71 HG1 LYS 71 -0.982 7.039 -5.222
536 1HD LYS 71 HD2 LYS 71 -2.173 9.190 -6.039
537 2HD LYS 71 HD1 LYS 71 -2.537 8.258 -7.491
538 1HE LYS 71 HE2 LYS 71 -3.256 6.461 -5.562
539 2HE LYS 71 HE1 LYS 71 -3.663 7.992 -4.763
540 1HZ LYS 71 HZ3 LYS 71 -4.328 7.743 -7.595
541 2HZ LYS 71 HZ2 LYS 71 -5.284 6.857 -6.506
542 3HZ LYS 71 HZ1 LYS 71 -5.163 8.545 -6.355
543 H GLN 72 HN GLN 72 3.211 6.233 -7.275
544 HA GLN 72 HA GLN 72 5.208 8.190 -7.867
545 1HB GLN 72 HB2 GLN 72 4.660 9.368 -5.920
546 2HB GLN 72 HB1 GLN 72 4.273 7.901 -5.023
547 1HG GLN 72 HG2 GLN 72 6.444 7.524 -4.437
548 2HG GLN 72 HG1 GLN 72 7.067 8.122 -5.975
549 1HE2 GLN 72 HE22 GLN 72 7.753 11.330 -4.701
550 2HE2 GLN 72 HE21 GLN 72 7.943 10.211 -5.964
No H/Q in entry = 550
Start of MODEL 3
1 1H ALA 1 HT3 ALA 1 17.950 1.269 2.369
2 2H ALA 1 HT2 ALA 1 17.723 0.042 1.215
3 3H ALA 1 HT1 ALA 1 18.840 1.290 0.926
4 HA ALA 1 HA ALA 1 17.205 2.859 0.489
5 1HB ALA 1 HB1 ALA 1 17.423 0.625 -0.952
6 2HB ALA 1 HB3 ALA 1 15.753 0.406 -0.427
7 3HB ALA 1 HB2 ALA 1 16.208 1.843 -1.343
8 H THR 2 HN THR 2 15.407 3.859 1.339
9 HA THR 2 HA THR 2 13.314 2.310 2.682
10 HB THR 2 HB THR 2 14.599 2.787 4.549
11 HG1 THR 2 HG1 THR 2 13.427 5.296 4.542
12 1HG2 THR 2 HG21 THR 2 15.351 5.367 3.163
13 2HG2 THR 2 HG23 THR 2 15.783 5.015 4.836
14 3HG2 THR 2 HG22 THR 2 16.407 4.004 3.533
15 H GLN 3 HN GLN 3 12.021 2.946 0.975
16 HA GLN 3 HA GLN 3 11.671 5.889 0.536
17 1HB GLN 3 HB2 GLN 3 11.805 3.531 -1.101
18 2HB GLN 3 HB1 GLN 3 10.260 4.338 -1.372
19 1HG GLN 3 HG2 GLN 3 11.319 5.854 -2.652
20 2HG GLN 3 HG1 GLN 3 12.216 6.381 -1.226
21 1HE2 GLN 3 HE22 GLN 3 15.118 4.391 -2.037
22 2HE2 GLN 3 HE21 GLN 3 14.233 4.983 -0.715
23 H THR 4 HN THR 4 9.595 6.812 0.478
24 HA THR 4 HA THR 4 7.398 5.190 1.721
25 HB THR 4 HB THR 4 8.211 6.705 3.371
26 HG1 THR 4 HG1 THR 4 5.863 6.922 2.506
27 1HG2 THR 4 HG22 THR 4 8.698 8.418 0.999
28 2HG2 THR 4 HG21 THR 4 8.249 9.263 2.481
29 3HG2 THR 4 HG23 THR 4 9.667 8.213 2.459
30 H VAL 5 HN VAL 5 5.801 4.965 0.219
31 HA VAL 5 HA VAL 5 5.214 7.266 -1.638
32 HB VAL 5 HB VAL 5 4.848 4.332 -2.236
33 1HG1 VAL 5 HG13 VAL 5 5.055 6.854 -3.884
34 2HG1 VAL 5 HG12 VAL 5 5.064 5.237 -4.581
35 3HG1 VAL 5 HG11 VAL 5 3.647 5.811 -3.702
36 1HG2 VAL 5 HG21 VAL 5 7.321 5.245 -1.682
37 2HG2 VAL 5 HG23 VAL 5 7.022 4.103 -2.990
38 3HG2 VAL 5 HG22 VAL 5 7.190 5.822 -3.341
39 H THR 6 HN THR 6 2.949 7.124 -2.463
40 HA THR 6 HA THR 6 1.094 6.197 -0.322
41 HB THR 6 HB THR 6 -0.342 7.909 -1.776
42 HG1 THR 6 HG1 THR 6 2.126 9.123 -2.122
43 1HG2 THR 6 HG22 THR 6 1.439 8.152 0.493
44 2HG2 THR 6 HG21 THR 6 1.330 9.674 -0.391
45 3HG2 THR 6 HG23 THR 6 -0.133 8.908 0.228
46 H LEU 7 HN LEU 7 -0.977 5.238 -1.212
47 HA LEU 7 HA LEU 7 -0.592 4.175 -3.978
48 1HB LEU 7 HB2 LEU 7 -0.587 2.830 -1.401
49 2HB LEU 7 HB1 LEU 7 -1.853 2.185 -2.448
50 HG LEU 7 HG LEU 7 -0.287 1.699 -4.183
51 1HD1 LEU 7 HD12 LEU 7 1.523 3.451 -2.582
52 2HD1 LEU 7 HD11 LEU 7 2.212 2.217 -3.637
53 3HD1 LEU 7 HD13 LEU 7 1.186 3.477 -4.307
54 1HD2 LEU 7 HD21 LEU 7 -0.279 0.250 -2.015
55 2HD2 LEU 7 HD23 LEU 7 1.030 0.022 -3.175
56 3HD2 LEU 7 HD22 LEU 7 1.297 0.987 -1.725
57 H ALA 8 HN ALA 8 -2.557 3.599 -5.033
58 HA ALA 8 HA ALA 8 -4.965 5.004 -3.924
59 1HB ALA 8 HB1 ALA 8 -3.890 4.423 -6.685
60 2HB ALA 8 HB3 ALA 8 -5.581 4.868 -6.453
61 3HB ALA 8 HB2 ALA 8 -4.302 5.983 -5.974
62 H VAL 9 HN VAL 9 -6.292 3.492 -2.959
63 HA VAL 9 HA VAL 9 -6.761 0.913 -4.425
64 HB VAL 9 HB VAL 9 -5.542 0.419 -2.434
65 1HG1 VAL 9 HG11 VAL 9 -7.365 2.425 -1.069
66 2HG1 VAL 9 HG13 VAL 9 -6.196 1.410 -0.224
67 3HG1 VAL 9 HG12 VAL 9 -5.640 2.616 -1.385
68 1HG2 VAL 9 HG21 VAL 9 -8.291 -0.283 -2.633
69 2HG2 VAL 9 HG23 VAL 9 -7.010 -1.166 -1.804
70 3HG2 VAL 9 HG22 VAL 9 -7.959 0.034 -0.930
71 HA PRO 10 HA PRO 10 -10.773 3.162 -4.035
72 1HB PRO 10 HB2 PRO 10 -11.502 2.474 -6.643
73 2HB PRO 10 HB1 PRO 10 -10.727 3.986 -6.159
74 1HG PRO 10 HG2 PRO 10 -9.607 1.766 -7.685
75 2HG PRO 10 HG1 PRO 10 -8.942 3.383 -7.427
76 1HD PRO 10 HD2 PRO 10 -8.121 0.907 -6.178
77 2HD PRO 10 HD1 PRO 10 -7.447 2.537 -5.925
78 H GLY 11 HN GLY 11 -10.477 0.630 -2.854
79 1HA GLY 11 HA2 GLY 11 -12.427 -1.144 -4.217
80 2HA GLY 11 HA1 GLY 11 -11.394 -1.603 -2.864
81 H MET 12 HN MET 12 -11.965 0.774 -1.305
82 HA MET 12 HA MET 12 -13.529 1.620 0.221
83 1HB MET 12 HB2 MET 12 -15.572 0.318 -1.608
84 2HB MET 12 HB1 MET 12 -15.835 1.657 -0.498
85 1HG MET 12 HG2 MET 12 -14.864 3.186 -1.890
86 2HG MET 12 HG1 MET 12 -13.684 2.034 -2.512
87 1HE MET 12 HE1 MET 12 -16.323 4.053 -2.798
88 2HE MET 12 HE3 MET 12 -16.735 3.947 -4.515
89 3HE MET 12 HE2 MET 12 -17.756 3.165 -3.311
90 H THR 13 HN THR 13 -15.384 -1.264 -0.737
91 HA THR 13 HA THR 13 -16.131 -3.064 0.587
92 HB THR 13 HB THR 13 -14.051 -3.737 2.195
93 HG1 THR 13 HG1 THR 13 -12.885 -2.277 0.073
94 1HG2 THR 13 HG21 THR 13 -14.282 -4.041 -0.805
95 2HG2 THR 13 HG23 THR 13 -13.126 -4.940 0.180
96 3HG2 THR 13 HG22 THR 13 -14.858 -5.158 0.434
97 H CYS 14 HN CYS 14 -16.044 -0.098 1.688
98 HA CYS 14 HA CYS 14 -16.701 0.987 3.664
99 1HB CYS 14 HB2 CYS 14 -18.391 -1.001 3.014
100 2HB CYS 14 HB1 CYS 14 -17.885 -1.580 4.601
101 HG CYS 14 HG CYS 14 -18.656 1.351 4.728
102 H ALA 15 HN ALA 15 -15.000 1.424 5.028
103 HA ALA 15 HA ALA 15 -13.336 1.084 6.685
104 1HB ALA 15 HB1 ALA 15 -15.899 -0.235 7.484
105 2HB ALA 15 HB3 ALA 15 -14.497 -0.448 8.533
106 3HB ALA 15 HB2 ALA 15 -15.101 1.172 8.186
107 H ALA 16 HN ALA 16 -13.098 -0.770 4.427
108 HA ALA 16 HA ALA 16 -11.743 -3.014 5.867
109 1HB ALA 16 HB1 ALA 16 -13.992 -3.062 3.946
110 2HB ALA 16 HB3 ALA 16 -12.709 -4.224 3.616
111 3HB ALA 16 HB2 ALA 16 -13.540 -4.245 5.172
112 H CYS 17 HN CYS 17 -12.138 -1.159 2.861
113 HA CYS 17 HA CYS 17 -10.039 -2.191 1.317
114 1HB CYS 17 HB2 CYS 17 -11.171 -0.626 0.125
115 2HB CYS 17 HB1 CYS 17 -11.640 0.256 1.570
116 HG CYS 17 HG CYS 17 -9.889 1.561 -0.130
117 HA PRO 18 HA PRO 18 -6.993 0.854 3.477
118 1HB PRO 18 HB2 PRO 18 -7.991 1.850 5.913
119 2HB PRO 18 HB1 PRO 18 -7.899 2.722 4.379
120 1HG PRO 18 HG2 PRO 18 -10.254 1.719 5.759
121 2HG PRO 18 HG1 PRO 18 -10.160 2.783 4.353
122 1HD PRO 18 HD2 PRO 18 -10.887 -0.004 4.407
123 2HD PRO 18 HD1 PRO 18 -10.763 1.065 2.989
124 H ILE 19 HN ILE 19 -8.812 -1.573 5.154
125 HA ILE 19 HA ILE 19 -6.783 -1.890 7.295
126 HB ILE 19 HB ILE 19 -9.385 -3.265 6.563
127 1HG1 ILE 19 HG12 ILE 19 -9.686 -1.028 7.461
128 2HG1 ILE 19 HG11 ILE 19 -10.107 -2.188 8.722
129 1HG2 ILE 19 HG21 ILE 19 -7.375 -3.822 8.744
130 2HG2 ILE 19 HG23 ILE 19 -9.077 -4.241 8.935
131 3HG2 ILE 19 HG22 ILE 19 -8.132 -4.964 7.633
132 1HD1 ILE 19 HD12 ILE 19 -7.634 -1.965 9.466
133 2HD1 ILE 19 HD11 ILE 19 -7.615 -0.508 8.474
134 3HD1 ILE 19 HD13 ILE 19 -8.725 -0.631 9.839
135 H THR 20 HN THR 20 -8.115 -3.700 4.560
136 HA THR 20 HA THR 20 -6.329 -5.948 4.762
137 HB THR 20 HB THR 20 -8.355 -4.761 2.922
138 HG1 THR 20 HG1 THR 20 -7.884 -7.409 3.812
139 1HG2 THR 20 HG23 THR 20 -6.512 -5.281 1.391
140 2HG2 THR 20 HG22 THR 20 -6.433 -6.921 2.037
141 3HG2 THR 20 HG21 THR 20 -7.865 -6.388 1.153
142 H VAL 21 HN VAL 21 -6.368 -2.873 2.998
143 HA VAL 21 HA VAL 21 -4.088 -3.363 1.361
144 HB VAL 21 HB VAL 21 -5.551 -0.963 2.455
145 1HG1 VAL 21 HG11 VAL 21 -2.900 -1.071 1.136
146 2HG1 VAL 21 HG13 VAL 21 -4.025 0.129 0.508
147 3HG1 VAL 21 HG12 VAL 21 -3.569 0.151 2.213
148 1HG2 VAL 21 HG22 VAL 21 -5.945 -2.697 0.293
149 2HG2 VAL 21 HG21 VAL 21 -6.725 -1.134 0.529
150 3HG2 VAL 21 HG23 VAL 21 -5.251 -1.246 -0.431
151 H LYS 22 HN LYS 22 -4.523 -1.851 4.548
152 HA LYS 22 HA LYS 22 -1.877 -1.058 5.097
153 1HB LYS 22 HB2 LYS 22 -3.588 -0.448 6.606
154 2HB LYS 22 HB1 LYS 22 -4.184 -2.102 6.736
155 1HG LYS 22 HG2 LYS 22 -2.670 -2.656 8.344
156 2HG LYS 22 HG1 LYS 22 -1.375 -1.735 7.576
157 1HD LYS 22 HD2 LYS 22 -1.939 0.230 8.659
158 2HD LYS 22 HD1 LYS 22 -3.638 -0.220 8.813
159 1HE LYS 22 HE2 LYS 22 -1.792 -2.011 10.268
160 2HE LYS 22 HE1 LYS 22 -1.840 -0.345 10.881
161 1HZ LYS 22 HZ1 LYS 22 -4.305 -0.492 10.739
162 2HZ LYS 22 HZ3 LYS 22 -4.152 -2.147 10.400
163 3HZ LYS 22 HZ2 LYS 22 -3.624 -1.534 11.895
164 H LYS 23 HN LYS 23 -3.395 -4.267 5.503
165 HA LYS 23 HA LYS 23 -0.964 -5.468 6.581
166 1HB LYS 23 HB2 LYS 23 -3.727 -6.287 5.799
167 2HB LYS 23 HB1 LYS 23 -2.511 -7.554 5.963
168 1HG LYS 23 HG2 LYS 23 -2.729 -5.496 8.128
169 2HG LYS 23 HG1 LYS 23 -3.938 -6.780 8.059
170 1HD LYS 23 HD2 LYS 23 -2.408 -8.440 8.538
171 2HD LYS 23 HD1 LYS 23 -1.068 -7.564 7.795
172 1HE LYS 23 HE2 LYS 23 -0.449 -7.011 9.913
173 2HE LYS 23 HE1 LYS 23 -1.851 -5.923 9.924
174 1HZ LYS 23 HZ1 LYS 23 -2.303 -8.783 10.378
175 2HZ LYS 23 HZ3 LYS 23 -1.653 -7.874 11.655
176 3HZ LYS 23 HZ2 LYS 23 -3.155 -7.444 10.987
177 H ALA 24 HN ALA 24 -2.271 -4.975 3.406
178 HA ALA 24 HA ALA 24 -0.941 -7.106 2.047
179 1HB ALA 24 HB3 ALA 24 -2.635 -4.863 1.507
180 2HB ALA 24 HB2 ALA 24 -1.289 -4.827 0.367
181 3HB ALA 24 HB1 ALA 24 -2.317 -6.257 0.474
182 H LEU 25 HN LEU 25 -0.147 -3.644 2.375
183 HA LEU 25 HA LEU 25 2.474 -3.949 1.143
184 1HB LEU 25 HB2 LEU 25 1.159 -1.751 2.758
185 2HB LEU 25 HB1 LEU 25 2.579 -1.558 1.724
186 HG LEU 25 HG LEU 25 0.871 -2.767 -0.003
187 1HD1 LEU 25 HD12 LEU 25 -0.738 -1.473 2.121
188 2HD1 LEU 25 HD11 LEU 25 -1.217 -1.142 0.455
189 3HD1 LEU 25 HD13 LEU 25 -1.153 -2.804 1.039
190 1HD2 LEU 25 HD23 LEU 25 1.976 -0.182 0.459
191 2HD2 LEU 25 HD22 LEU 25 1.435 -0.882 -1.066
192 3HD2 LEU 25 HD21 LEU 25 0.306 0.032 -0.067
193 H SER 26 HN SER 26 1.208 -3.848 4.443
194 HA SER 26 HA SER 26 3.765 -3.454 5.746
195 1HB SER 26 HB2 SER 26 2.492 -3.904 7.723
196 2HB SER 26 HB1 SER 26 1.355 -3.139 6.617
197 HG SER 26 HG SER 26 1.008 -5.391 7.788
198 H LYS 27 HN LYS 27 2.147 -6.166 4.281
199 HA LYS 27 HA LYS 27 4.229 -7.963 5.428
200 1HB LYS 27 HB2 LYS 27 2.453 -9.212 6.057
201 2HB LYS 27 HB1 LYS 27 1.360 -8.105 5.242
202 1HG LYS 27 HG2 LYS 27 2.863 -10.309 3.803
203 2HG LYS 27 HG1 LYS 27 1.234 -10.507 4.446
204 1HD LYS 27 HD2 LYS 27 1.197 -8.084 3.002
205 2HD LYS 27 HD1 LYS 27 2.061 -9.239 1.986
206 1HE LYS 27 HE2 LYS 27 -0.529 -10.022 3.333
207 2HE LYS 27 HE1 LYS 27 -0.528 -9.179 1.772
208 1HZ LYS 27 HZ3 LYS 27 1.014 -11.646 2.384
209 2HZ LYS 27 HZ2 LYS 27 -0.430 -11.597 1.489
210 3HZ LYS 27 HZ1 LYS 27 0.970 -10.842 0.892
211 H VAL 28 HN VAL 28 3.493 -6.268 2.690
212 HA VAL 28 HA VAL 28 3.618 -7.933 0.477
213 HB VAL 28 HB VAL 28 3.461 -5.528 0.299
214 1HG1 VAL 28 HG11 VAL 28 5.242 -5.392 2.318
215 2HG1 VAL 28 HG13 VAL 28 6.323 -5.068 0.963
216 3HG1 VAL 28 HG12 VAL 28 4.922 -4.033 1.241
217 1HG2 VAL 28 HG23 VAL 28 4.630 -6.849 -1.538
218 2HG2 VAL 28 HG22 VAL 28 5.001 -5.125 -1.499
219 3HG2 VAL 28 HG21 VAL 28 6.156 -6.290 -0.854
220 H GLU 29 HN GLU 29 6.525 -6.740 2.259
221 HA GLU 29 HA GLU 29 7.912 -9.227 2.145
222 1HB GLU 29 HB2 GLU 29 7.822 -7.614 -0.295
223 2HB GLU 29 HB1 GLU 29 9.472 -7.983 0.207
224 1HG GLU 29 HG2 GLU 29 7.943 -10.353 0.564
225 2HG GLU 29 HG1 GLU 29 7.559 -9.722 -1.037
226 H GLY 30 HN GLY 30 9.290 -6.103 1.120
227 1HA GLY 30 HA2 GLY 30 11.020 -6.177 3.529
228 2HA GLY 30 HA1 GLY 30 11.300 -5.189 2.097
229 H VAL 31 HN VAL 31 8.081 -4.880 2.777
230 HA VAL 31 HA VAL 31 7.994 -2.179 3.396
231 HB VAL 31 HB VAL 31 6.035 -3.567 2.972
232 1HG1 VAL 31 HG13 VAL 31 7.164 -5.400 4.583
233 2HG1 VAL 31 HG12 VAL 31 6.064 -4.661 5.745
234 3HG1 VAL 31 HG11 VAL 31 5.430 -5.379 4.264
235 1HG2 VAL 31 HG22 VAL 31 6.147 -1.481 4.710
236 2HG2 VAL 31 HG21 VAL 31 4.641 -2.290 4.281
237 3HG2 VAL 31 HG23 VAL 31 5.482 -2.724 5.769
238 H SER 32 HN SER 32 8.193 -0.936 5.145
239 HA SER 32 HA SER 32 9.207 -2.193 7.665
240 1HB SER 32 HB2 SER 32 9.999 0.165 6.023
241 2HB SER 32 HB1 SER 32 10.133 0.337 7.770
242 HG SER 32 HG SER 32 11.298 -1.657 6.116
243 H LYS 33 HN LYS 33 6.825 -0.246 6.172
244 HA LYS 33 HA LYS 33 5.323 0.008 8.669
245 1HB LYS 33 HB2 LYS 33 6.640 1.837 9.226
246 2HB LYS 33 HB1 LYS 33 6.983 2.232 7.546
247 1HG LYS 33 HG2 LYS 33 4.848 3.253 7.244
248 2HG LYS 33 HG1 LYS 33 4.230 2.572 8.749
249 1HD LYS 33 HD2 LYS 33 6.660 4.260 8.986
250 2HD LYS 33 HD1 LYS 33 5.170 5.102 8.559
251 1HE LYS 33 HE2 LYS 33 4.774 3.136 10.705
252 2HE LYS 33 HE1 LYS 33 5.915 4.424 11.141
253 1HZ LYS 33 HZ1 LYS 33 3.589 5.276 9.634
254 2HZ LYS 33 HZ3 LYS 33 3.254 4.722 11.201
255 3HZ LYS 33 HZ2 LYS 33 4.343 6.005 10.971
256 H VAL 34 HN VAL 34 3.185 1.125 8.219
257 HA VAL 34 HA VAL 34 2.518 1.565 5.371
258 HB VAL 34 HB VAL 34 1.575 -0.758 7.057
259 1HG1 VAL 34 HG11 VAL 34 0.321 0.439 4.574
260 2HG1 VAL 34 HG13 VAL 34 -0.015 -1.199 5.132
261 3HG1 VAL 34 HG12 VAL 34 -0.445 0.182 6.141
262 1HG2 VAL 34 HG23 VAL 34 3.139 -0.345 4.556
263 2HG2 VAL 34 HG22 VAL 34 3.338 -1.564 5.813
264 3HG2 VAL 34 HG21 VAL 34 2.066 -1.744 4.604
265 H ASP 35 HN ASP 35 0.238 2.339 5.138
266 HA ASP 35 HA ASP 35 -1.276 2.999 7.563
267 1HB ASP 35 HB2 ASP 35 0.775 4.735 6.550
268 2HB ASP 35 HB1 ASP 35 -0.788 5.518 6.318
269 H VAL 36 HN VAL 36 -3.336 4.119 6.963
270 HA VAL 36 HA VAL 36 -3.954 4.069 4.043
271 HB VAL 36 HB VAL 36 -6.097 2.823 4.775
272 1HG1 VAL 36 HG13 VAL 36 -3.461 1.919 4.119
273 2HG1 VAL 36 HG12 VAL 36 -4.164 0.788 5.275
274 3HG1 VAL 36 HG11 VAL 36 -5.003 1.140 3.764
275 1HG2 VAL 36 HG22 VAL 36 -4.988 3.264 7.295
276 2HG2 VAL 36 HG21 VAL 36 -6.314 2.161 6.927
277 3HG2 VAL 36 HG23 VAL 36 -4.657 1.560 6.980
278 H GLY 37 HN GLY 37 -5.750 5.410 3.480
279 1HA GLY 37 HA2 GLY 37 -7.032 6.964 5.659
280 2HA GLY 37 HA1 GLY 37 -6.170 7.859 4.406
281 H PHE 38 HN PHE 38 -9.116 6.320 5.220
282 HA PHE 38 HA PHE 38 -10.142 5.707 2.618
283 1HB PHE 38 HB2 PHE 38 -10.939 5.599 5.304
284 2HB PHE 38 HB1 PHE 38 -12.121 6.656 4.531
285 HD1 PHE 38 HD1 PHE 38 -12.125 5.552 1.765
286 HD2 PHE 38 HD2 PHE 38 -12.115 3.555 5.569
287 HE1 PHE 38 HE1 PHE 38 -13.211 3.576 0.730
288 HE2 PHE 38 HE2 PHE 38 -13.199 1.580 4.533
289 HZ PHE 38 HZ PHE 38 -13.761 1.596 2.122
290 H GLU 39 HN GLU 39 -9.902 8.729 4.423
291 HA GLU 39 HA GLU 39 -11.758 10.399 3.215
292 1HB GLU 39 HB2 GLU 39 -8.917 10.676 4.130
293 2HB GLU 39 HB1 GLU 39 -9.662 12.045 3.305
294 1HG GLU 39 HG2 GLU 39 -11.239 10.714 5.462
295 2HG GLU 39 HG1 GLU 39 -9.877 11.723 5.950
296 H LYS 40 HN LYS 40 -8.900 8.956 1.758
297 HA LYS 40 HA LYS 40 -9.710 10.138 -0.867
298 1HB LYS 40 HB2 LYS 40 -7.384 10.635 0.694
299 2HB LYS 40 HB1 LYS 40 -6.877 9.701 -0.714
300 1HG LYS 40 HG2 LYS 40 -6.930 11.647 -1.863
301 2HG LYS 40 HG1 LYS 40 -8.687 11.537 -1.762
302 1HD LYS 40 HD2 LYS 40 -8.493 13.560 -0.723
303 2HD LYS 40 HD1 LYS 40 -8.126 12.569 0.690
304 1HE LYS 40 HE2 LYS 40 -5.652 12.685 -0.344
305 2HE LYS 40 HE1 LYS 40 -6.286 14.210 -0.996
306 1HZ LYS 40 HZ3 LYS 40 -7.268 14.400 1.407
307 2HZ LYS 40 HZ2 LYS 40 -5.973 13.373 1.800
308 3HZ LYS 40 HZ1 LYS 40 -5.675 14.887 1.089
309 H ARG 41 HN ARG 41 -9.348 7.367 0.876
310 HA ARG 41 HA ARG 41 -9.195 5.095 0.268
311 1HB ARG 41 HB2 ARG 41 -9.990 6.578 -2.211
312 2HB ARG 41 HB1 ARG 41 -9.573 4.869 -2.354
313 1HG ARG 41 HG2 ARG 41 -11.222 5.163 -0.057
314 2HG ARG 41 HG1 ARG 41 -11.994 6.026 -1.384
315 1HD ARG 41 HD2 ARG 41 -10.896 3.399 -2.146
316 2HD ARG 41 HD1 ARG 41 -12.216 3.314 -0.968
317 HE ARG 41 HE ARG 41 -12.491 3.971 -3.748
318 1HH1 ARG 41 HH21 ARG 41 -13.530 5.086 -0.637
319 2HH1 ARG 41 HH22 ARG 41 -14.842 6.013 -1.280
320 1HH2 ARG 41 HH11 ARG 41 -14.204 5.156 -4.573
321 2HH2 ARG 41 HH12 ARG 41 -15.224 6.052 -3.498
322 H GLU 42 HN GLU 42 -6.752 6.242 0.689
323 HA GLU 42 HA GLU 42 -5.079 4.932 -1.421
324 1HB GLU 42 HB2 GLU 42 -4.415 7.576 -0.099
325 2HB GLU 42 HB1 GLU 42 -3.641 6.855 -1.510
326 1HG GLU 42 HG2 GLU 42 -5.720 7.105 -2.796
327 2HG GLU 42 HG1 GLU 42 -6.516 7.795 -1.382
328 H ALA 43 HN ALA 43 -3.173 3.933 -0.565
329 HA ALA 43 HA ALA 43 -3.003 3.992 2.436
330 1HB ALA 43 HB1 ALA 43 -3.686 1.873 1.041
331 2HB ALA 43 HB3 ALA 43 -1.964 1.775 0.673
332 3HB ALA 43 HB2 ALA 43 -2.515 1.688 2.346
333 H VAL 44 HN VAL 44 -1.067 4.754 3.251
334 HA VAL 44 HA VAL 44 1.141 5.238 1.298
335 HB VAL 44 HB VAL 44 0.100 7.136 2.550
336 1HG1 VAL 44 HG12 VAL 44 0.091 5.318 4.645
337 2HG1 VAL 44 HG11 VAL 44 1.364 6.451 5.096
338 3HG1 VAL 44 HG13 VAL 44 -0.268 7.039 4.776
339 1HG2 VAL 44 HG21 VAL 44 2.965 6.437 3.265
340 2HG2 VAL 44 HG23 VAL 44 2.424 7.366 1.867
341 3HG2 VAL 44 HG22 VAL 44 2.255 8.036 3.490
342 H VAL 45 HN VAL 45 2.929 3.976 1.484
343 HA VAL 45 HA VAL 45 3.397 2.619 4.118
344 HB VAL 45 HB VAL 45 3.269 1.549 1.300
345 1HG1 VAL 45 HG11 VAL 45 4.936 0.644 3.547
346 2HG1 VAL 45 HG13 VAL 45 3.896 -0.615 2.882
347 3HG1 VAL 45 HG12 VAL 45 5.035 0.232 1.837
348 1HG2 VAL 45 HG21 VAL 45 1.634 1.461 3.714
349 2HG2 VAL 45 HG23 VAL 45 1.211 1.016 2.061
350 3HG2 VAL 45 HG22 VAL 45 2.006 -0.153 3.113
351 H THR 46 HN THR 46 5.512 2.224 4.662
352 HA THR 46 HA THR 46 7.642 3.522 2.998
353 HB THR 46 HB THR 46 7.092 3.100 5.930
354 HG1 THR 46 HG1 THR 46 7.715 5.259 5.980
355 1HG2 THR 46 HG23 THR 46 9.778 3.069 4.616
356 2HG2 THR 46 HG22 THR 46 9.608 3.923 6.150
357 3HG2 THR 46 HG21 THR 46 9.221 2.205 6.049
358 H PHE 47 HN PHE 47 9.714 2.156 2.897
359 HA PHE 47 HA PHE 47 9.602 -0.560 3.918
360 1HB PHE 47 HB2 PHE 47 9.263 -1.645 1.722
361 2HB PHE 47 HB1 PHE 47 7.880 -0.640 2.160
362 HD1 PHE 47 HD2 PHE 47 11.031 -0.689 0.128
363 HD2 PHE 47 HD1 PHE 47 7.248 1.227 0.854
364 HE1 PHE 47 HE2 PHE 47 11.316 0.649 -1.929
365 HE2 PHE 47 HE1 PHE 47 7.535 2.566 -1.212
366 HZ PHE 47 HZ PHE 47 9.564 2.278 -2.603
367 H ASP 48 HN ASP 48 11.182 -1.956 2.444
368 HA ASP 48 HA ASP 48 13.662 -0.332 2.182
369 1HB ASP 48 HB2 ASP 48 13.274 -2.415 3.756
370 2HB ASP 48 HB1 ASP 48 13.513 -3.335 2.270
371 H ASP 49 HN ASP 49 13.891 0.257 0.073
372 HA ASP 49 HA ASP 49 12.599 -1.000 -2.129
373 1HB ASP 49 HB2 ASP 49 13.776 1.315 -1.774
374 2HB ASP 49 HB1 ASP 49 15.202 0.472 -2.376
375 H THR 50 HN THR 50 15.289 -2.064 -0.330
376 HA THR 50 HA THR 50 16.724 -3.442 -2.454
377 HB THR 50 HB THR 50 17.902 -4.449 -0.521
378 HG1 THR 50 HG1 THR 50 16.898 -4.603 1.298
379 1HG2 THR 50 HG21 THR 50 17.657 -1.694 -1.135
380 2HG2 THR 50 HG23 THR 50 17.730 -1.815 0.623
381 3HG2 THR 50 HG22 THR 50 19.019 -2.507 -0.363
382 H LYS 51 HN LYS 51 14.024 -4.223 -0.339
383 HA LYS 51 HA LYS 51 13.940 -6.965 -1.551
384 1HB LYS 51 HB2 LYS 51 13.340 -5.894 1.206
385 2HB LYS 51 HB1 LYS 51 12.676 -7.438 0.669
386 1HG LYS 51 HG2 LYS 51 14.675 -8.485 0.847
387 2HG LYS 51 HG1 LYS 51 15.539 -7.145 0.091
388 1HD LYS 51 HD2 LYS 51 16.393 -6.999 2.238
389 2HD LYS 51 HD1 LYS 51 14.986 -5.946 2.401
390 1HE LYS 51 HE2 LYS 51 15.052 -7.545 4.275
391 2HE LYS 51 HE1 LYS 51 13.668 -7.918 3.228
392 1HZ LYS 51 HZ2 LYS 51 16.275 -9.108 2.596
393 2HZ LYS 51 HZ1 LYS 51 15.373 -9.781 3.870
394 3HZ LYS 51 HZ3 LYS 51 14.714 -9.715 2.308
395 H ALA 52 HN ALA 52 12.455 -3.983 -1.534
396 HA ALA 52 HA ALA 52 10.003 -5.081 -2.741
397 1HB ALA 52 HB3 ALA 52 10.214 -4.256 0.038
398 2HB ALA 52 HB2 ALA 52 9.025 -3.276 -0.820
399 3HB ALA 52 HB1 ALA 52 8.864 -5.032 -0.788
400 H SER 53 HN SER 53 8.448 -2.863 -2.834
401 HA SER 53 HA SER 53 9.611 -0.315 -3.195
402 1HB SER 53 HB2 SER 53 9.791 -0.575 -5.810
403 2HB SER 53 HB1 SER 53 11.123 -1.122 -4.795
404 HG SER 53 HG SER 53 10.553 -2.738 -6.262
405 H VAL 54 HN VAL 54 8.202 1.055 -4.761
406 HA VAL 54 HA VAL 54 5.502 0.949 -4.210
407 HB VAL 54 HB VAL 54 6.457 2.800 -5.409
408 1HG1 VAL 54 HG11 VAL 54 8.175 1.351 -6.590
409 2HG1 VAL 54 HG13 VAL 54 6.916 0.932 -7.750
410 3HG1 VAL 54 HG12 VAL 54 7.450 2.604 -7.596
411 1HG2 VAL 54 HG23 VAL 54 4.051 2.001 -5.949
412 2HG2 VAL 54 HG22 VAL 54 4.790 3.154 -7.059
413 3HG2 VAL 54 HG21 VAL 54 4.725 1.443 -7.479
414 H GLN 55 HN GLN 55 7.121 -0.724 -6.929
415 HA GLN 55 HA GLN 55 4.893 -1.860 -8.204
416 1HB GLN 55 HB2 GLN 55 7.410 -1.944 -8.736
417 2HB GLN 55 HB1 GLN 55 7.483 -3.315 -7.627
418 1HG GLN 55 HG2 GLN 55 7.183 -4.089 -9.948
419 2HG GLN 55 HG1 GLN 55 5.772 -4.489 -8.968
420 1HE2 GLN 55 HE22 GLN 55 5.431 -1.692 -11.945
421 2HE2 GLN 55 HE21 GLN 55 6.969 -2.195 -11.433
422 H LYS 56 HN LYS 56 6.743 -3.180 -5.445
423 HA LYS 56 HA LYS 56 4.974 -5.453 -5.086
424 1HB LYS 56 HB2 LYS 56 7.025 -4.161 -3.258
425 2HB LYS 56 HB1 LYS 56 6.385 -5.797 -3.094
426 1HG LYS 56 HG2 LYS 56 7.973 -4.737 -5.450
427 2HG LYS 56 HG1 LYS 56 8.565 -5.856 -4.222
428 1HD LYS 56 HD2 LYS 56 6.474 -7.290 -4.934
429 2HD LYS 56 HD1 LYS 56 6.570 -6.335 -6.414
430 1HE LYS 56 HE2 LYS 56 7.996 -8.087 -6.983
431 2HE LYS 56 HE1 LYS 56 9.166 -6.996 -6.216
432 1HZ LYS 56 HZ3 LYS 56 7.661 -8.636 -4.373
433 2HZ LYS 56 HZ2 LYS 56 8.690 -9.517 -5.399
434 3HZ LYS 56 HZ1 LYS 56 9.321 -8.291 -4.408
435 H LEU 57 HN LEU 57 4.896 -2.122 -3.976
436 HA LEU 57 HA LEU 57 3.242 -2.613 -1.634
437 1HB LEU 57 HB2 LEU 57 3.605 -0.164 -3.398
438 2HB LEU 57 HB1 LEU 57 2.932 -0.159 -1.773
439 HG LEU 57 HG LEU 57 5.750 -0.975 -2.521
440 1HD1 LEU 57 HD11 LEU 57 4.588 1.550 -2.169
441 2HD1 LEU 57 HD13 LEU 57 5.419 1.216 -0.651
442 3HD1 LEU 57 HD12 LEU 57 6.312 1.175 -2.172
443 1HD2 LEU 57 HD21 LEU 57 4.700 -2.193 -0.537
444 2HD2 LEU 57 HD23 LEU 57 6.150 -1.264 -0.160
445 3HD2 LEU 57 HD22 LEU 57 4.560 -0.622 0.248
446 H THR 58 HN THR 58 2.504 -1.147 -4.816
447 HA THR 58 HA THR 58 -0.324 -1.275 -4.630
448 HB THR 58 HB THR 58 0.042 -1.413 -7.249
449 HG1 THR 58 HG1 THR 58 2.035 -1.741 -7.749
450 1HG2 THR 58 HG21 THR 58 0.906 0.788 -5.383
451 2HG2 THR 58 HG23 THR 58 0.962 1.003 -7.132
452 3HG2 THR 58 HG22 THR 58 -0.574 0.667 -6.334
453 H LYS 59 HN LYS 59 2.090 -3.715 -5.466
454 HA LYS 59 HA LYS 59 0.218 -5.624 -6.541
455 1HB LYS 59 HB2 LYS 59 2.594 -5.605 -7.127
456 2HB LYS 59 HB1 LYS 59 3.033 -5.843 -5.435
457 1HG LYS 59 HG2 LYS 59 2.195 -8.055 -5.406
458 2HG LYS 59 HG1 LYS 59 1.261 -7.811 -6.882
459 1HD LYS 59 HD2 LYS 59 3.143 -7.952 -8.257
460 2HD LYS 59 HD1 LYS 59 4.250 -7.517 -6.954
461 1HE LYS 59 HE2 LYS 59 3.709 -9.719 -5.848
462 2HE LYS 59 HE1 LYS 59 2.793 -10.159 -7.304
463 1HZ LYS 59 HZ2 LYS 59 4.970 -9.287 -8.457
464 2HZ LYS 59 HZ1 LYS 59 5.675 -9.739 -6.979
465 3HZ LYS 59 HZ3 LYS 59 4.853 -10.892 -7.912
466 H ALA 60 HN ALA 60 1.514 -4.895 -3.350
467 HA ALA 60 HA ALA 60 0.623 -7.299 -2.066
468 1HB ALA 60 HB1 ALA 60 2.118 -4.999 -1.478
469 2HB ALA 60 HB3 ALA 60 0.737 -4.927 -0.383
470 3HB ALA 60 HB2 ALA 60 1.795 -6.339 -0.378
471 H THR 61 HN THR 61 -0.718 -3.975 -2.171
472 HA THR 61 HA THR 61 -3.177 -4.703 -0.836
473 HB THR 61 HB THR 61 -2.440 -2.403 -0.842
474 HG1 THR 61 HG1 THR 61 -4.213 -1.419 -2.081
475 1HG2 THR 61 HG21 THR 61 -1.630 -3.047 -3.502
476 2HG2 THR 61 HG23 THR 61 -2.710 -1.658 -3.585
477 3HG2 THR 61 HG22 THR 61 -1.266 -1.594 -2.576
478 H ALA 62 HN ALA 62 -1.947 -4.782 -4.053
479 HA ALA 62 HA ALA 62 -4.411 -5.053 -5.505
480 1HB ALA 62 HB1 ALA 62 -1.522 -5.816 -5.934
481 2HB ALA 62 HB3 ALA 62 -2.748 -6.215 -7.136
482 3HB ALA 62 HB2 ALA 62 -2.439 -4.530 -6.718
483 H ASP 63 HN ASP 63 -2.271 -7.305 -3.812
484 HA ASP 63 HA ASP 63 -3.806 -9.659 -4.668
485 1HB ASP 63 HB2 ASP 63 -1.318 -8.985 -3.260
486 2HB ASP 63 HB1 ASP 63 -2.160 -10.356 -2.536
487 H ALA 64 HN ALA 64 -3.987 -7.260 -2.226
488 HA ALA 64 HA ALA 64 -5.298 -8.821 -0.162
489 1HB ALA 64 HB1 ALA 64 -4.309 -6.192 -0.613
490 2HB ALA 64 HB3 ALA 64 -6.022 -6.021 -0.237
491 3HB ALA 64 HB2 ALA 64 -4.949 -6.841 0.897
492 H GLY 65 HN GLY 65 -6.208 -7.119 -3.080
493 1HA GLY 65 HA2 GLY 65 -8.316 -8.226 -4.077
494 2HA GLY 65 HA1 GLY 65 -9.064 -7.779 -2.549
495 H TYR 66 HN TYR 66 -6.747 -5.565 -3.972
496 HA TYR 66 HA TYR 66 -9.023 -3.921 -5.016
497 1HB TYR 66 HB2 TYR 66 -6.790 -2.990 -3.200
498 2HB TYR 66 HB1 TYR 66 -8.117 -2.004 -3.803
499 HD1 TYR 66 HD1 TYR 66 -10.523 -3.173 -3.373
500 HD2 TYR 66 HD2 TYR 66 -6.947 -3.736 -1.092
501 HE1 TYR 66 HE1 TYR 66 -11.884 -3.795 -1.410
502 HE2 TYR 66 HE2 TYR 66 -8.289 -4.350 0.880
503 HH TYR 66 HH TYR 66 -10.838 -5.414 1.121
504 HA PRO 67 HA PRO 67 -5.858 -3.701 -8.288
505 1HB PRO 67 HB2 PRO 67 -7.746 -2.025 -9.699
506 2HB PRO 67 HB1 PRO 67 -7.285 -3.689 -10.076
507 1HG PRO 67 HG2 PRO 67 -9.773 -2.764 -8.993
508 2HG PRO 67 HG1 PRO 67 -9.296 -4.428 -9.343
509 1HD PRO 67 HD2 PRO 67 -9.624 -3.195 -6.756
510 2HD PRO 67 HD1 PRO 67 -9.119 -4.866 -7.110
511 H SER 68 HN SER 68 -4.478 -2.281 -7.057
512 HA SER 68 HA SER 68 -5.381 0.552 -6.786
513 1HB SER 68 HB2 SER 68 -4.023 0.577 -4.871
514 2HB SER 68 HB1 SER 68 -4.620 -1.079 -4.899
515 HG SER 68 HG SER 68 -2.567 -1.280 -6.336
516 H SER 69 HN SER 69 -3.045 1.833 -6.422
517 HA SER 69 HA SER 69 -1.130 1.352 -8.601
518 1HB SER 69 HB2 SER 69 -3.191 3.569 -8.547
519 2HB SER 69 HB1 SER 69 -1.691 3.728 -9.456
520 HG SER 69 HG SER 69 -3.529 2.850 -10.639
521 H VAL 70 HN VAL 70 0.092 3.861 -8.534
522 HA VAL 70 HA VAL 70 0.492 4.358 -5.626
523 HB VAL 70 HB VAL 70 2.039 2.722 -6.826
524 1HG1 VAL 70 HG13 VAL 70 2.178 4.670 -8.719
525 2HG1 VAL 70 HG12 VAL 70 3.626 5.039 -7.781
526 3HG1 VAL 70 HG11 VAL 70 3.423 3.441 -8.499
527 1HG2 VAL 70 HG22 VAL 70 2.638 4.924 -4.993
528 2HG2 VAL 70 HG21 VAL 70 3.140 3.237 -4.906
529 3HG2 VAL 70 HG23 VAL 70 4.066 4.384 -5.872
530 H LYS 71 HN LYS 71 1.566 6.433 -5.157
531 HA LYS 71 HA LYS 71 1.152 8.413 -7.382
532 1HB LYS 71 HB2 LYS 71 0.868 9.245 -4.535
533 2HB LYS 71 HB1 LYS 71 -0.057 9.759 -5.945
534 1HG LYS 71 HG2 LYS 71 -1.196 7.559 -5.983
535 2HG LYS 71 HG1 LYS 71 -0.297 7.083 -4.541
536 1HD LYS 71 HD2 LYS 71 -1.558 8.379 -3.163
537 2HD LYS 71 HD1 LYS 71 -1.704 9.673 -4.353
538 1HE LYS 71 HE2 LYS 71 -3.094 7.309 -5.293
539 2HE LYS 71 HE1 LYS 71 -3.691 7.783 -3.690
540 1HZ LYS 71 HZ1 LYS 71 -3.246 9.703 -5.910
541 2HZ LYS 71 HZ3 LYS 71 -4.752 8.997 -5.582
542 3HZ LYS 71 HZ2 LYS 71 -4.018 10.003 -4.426
543 H GLN 72 HN GLN 72 3.503 6.968 -6.384
544 HA GLN 72 HA GLN 72 5.353 8.361 -4.861
545 1HB GLN 72 HB2 GLN 72 5.829 6.249 -5.959
546 2HB GLN 72 HB1 GLN 72 5.673 6.995 -7.550
547 1HG GLN 72 HG2 GLN 72 7.573 8.502 -6.032
548 2HG GLN 72 HG1 GLN 72 8.007 6.794 -5.934
549 1HE2 GLN 72 HE22 GLN 72 9.121 8.616 -9.202
550 2HE2 GLN 72 HE21 GLN 72 9.002 9.276 -7.643
No H/Q in entry = 550
Start of MODEL 4
1 1H ALA 1 HT2 ALA 1 16.496 1.384 -0.221
2 2H ALA 1 HT1 ALA 1 17.892 1.967 -0.996
3 3H ALA 1 HT3 ALA 1 17.914 1.665 0.673
4 HA ALA 1 HA ALA 1 17.699 3.983 0.543
5 1HB ALA 1 HB2 ALA 1 16.442 3.135 -1.944
6 2HB ALA 1 HB1 ALA 1 15.519 4.417 -1.161
7 3HB ALA 1 HB3 ALA 1 17.219 4.670 -1.560
8 H THR 2 HN THR 2 15.267 5.276 0.635
9 HA THR 2 HA THR 2 13.389 3.685 2.240
10 HB THR 2 HB THR 2 13.649 6.045 3.627
11 HG1 THR 2 HG1 THR 2 16.277 5.153 3.260
12 1HG2 THR 2 HG22 THR 2 14.491 3.239 3.984
13 2HG2 THR 2 HG21 THR 2 15.282 4.403 5.048
14 3HG2 THR 2 HG23 THR 2 13.524 4.269 5.041
15 H GLN 3 HN GLN 3 12.007 4.068 0.426
16 HA GLN 3 HA GLN 3 11.413 6.939 -0.185
17 1HB GLN 3 HB2 GLN 3 11.411 4.354 -1.653
18 2HB GLN 3 HB1 GLN 3 10.228 5.561 -2.160
19 1HG GLN 3 HG2 GLN 3 12.770 6.840 -1.710
20 2HG GLN 3 HG1 GLN 3 12.983 5.478 -2.810
21 1HE2 GLN 3 HE22 GLN 3 10.511 8.560 -3.967
22 2HE2 GLN 3 HE21 GLN 3 10.769 8.287 -2.312
23 H THR 4 HN THR 4 9.195 7.526 -0.645
24 HA THR 4 HA THR 4 7.164 5.911 0.855
25 HB THR 4 HB THR 4 7.707 7.841 2.166
26 HG1 THR 4 HG1 THR 4 5.800 9.176 1.808
27 1HG2 THR 4 HG22 THR 4 7.585 9.363 -0.450
28 2HG2 THR 4 HG21 THR 4 7.745 10.125 1.133
29 3HG2 THR 4 HG23 THR 4 9.018 9.062 0.532
30 H VAL 5 HN VAL 5 5.099 5.841 -0.144
31 HA VAL 5 HA VAL 5 4.617 7.348 -2.675
32 HB VAL 5 HB VAL 5 4.263 4.392 -2.802
33 1HG1 VAL 5 HG13 VAL 5 3.645 5.923 -4.648
34 2HG1 VAL 5 HG12 VAL 5 5.322 6.457 -4.746
35 3HG1 VAL 5 HG11 VAL 5 4.907 4.790 -5.133
36 1HG2 VAL 5 HG22 VAL 5 6.538 4.655 -1.789
37 2HG2 VAL 5 HG21 VAL 5 6.601 4.002 -3.426
38 3HG2 VAL 5 HG23 VAL 5 6.985 5.699 -3.138
39 H THR 6 HN THR 6 2.390 7.118 -3.350
40 HA THR 6 HA THR 6 0.588 6.313 -1.118
41 HB THR 6 HB THR 6 -0.925 7.760 -2.809
42 HG1 THR 6 HG1 THR 6 0.770 9.476 -3.417
43 1HG2 THR 6 HG22 THR 6 0.948 8.507 -0.625
44 2HG2 THR 6 HG21 THR 6 0.239 9.826 -1.557
45 3HG2 THR 6 HG23 THR 6 -0.805 8.683 -0.711
46 H LEU 7 HN LEU 7 -1.324 5.027 -1.820
47 HA LEU 7 HA LEU 7 -0.860 3.728 -4.475
48 1HB LEU 7 HB2 LEU 7 -0.794 2.685 -1.757
49 2HB LEU 7 HB1 LEU 7 -1.942 1.800 -2.758
50 HG LEU 7 HG LEU 7 -0.277 1.263 -4.359
51 1HD1 LEU 7 HD12 LEU 7 1.318 3.399 -2.991
52 2HD1 LEU 7 HD11 LEU 7 2.118 2.153 -3.951
53 3HD1 LEU 7 HD13 LEU 7 0.938 3.221 -4.698
54 1HD2 LEU 7 HD23 LEU 7 -0.114 -0.015 -2.196
55 2HD2 LEU 7 HD22 LEU 7 1.411 0.069 -3.076
56 3HD2 LEU 7 HD21 LEU 7 1.140 1.115 -1.684
57 H ALA 8 HN ALA 8 -2.742 2.753 -5.413
58 HA ALA 8 HA ALA 8 -5.292 4.086 -4.578
59 1HB ALA 8 HB2 ALA 8 -4.246 4.680 -6.775
60 2HB ALA 8 HB1 ALA 8 -4.407 2.994 -7.268
61 3HB ALA 8 HB3 ALA 8 -5.847 3.963 -6.957
62 H VAL 9 HN VAL 9 -6.360 2.550 -3.345
63 HA VAL 9 HA VAL 9 -6.662 -0.199 -4.510
64 HB VAL 9 HB VAL 9 -5.464 -0.437 -2.482
65 1HG1 VAL 9 HG13 VAL 9 -7.250 1.760 -1.386
66 2HG1 VAL 9 HG12 VAL 9 -6.077 0.867 -0.418
67 3HG1 VAL 9 HG11 VAL 9 -5.529 1.884 -1.750
68 1HG2 VAL 9 HG21 VAL 9 -8.132 -1.268 -2.548
69 2HG2 VAL 9 HG23 VAL 9 -6.888 -1.850 -1.440
70 3HG2 VAL 9 HG22 VAL 9 -7.949 -0.526 -0.958
71 HA PRO 10 HA PRO 10 -10.829 1.791 -4.384
72 1HB PRO 10 HB2 PRO 10 -11.477 0.688 -6.886
73 2HB PRO 10 HB1 PRO 10 -10.898 2.331 -6.592
74 1HG PRO 10 HG2 PRO 10 -9.512 0.140 -7.890
75 2HG PRO 10 HG1 PRO 10 -9.001 1.824 -7.725
76 1HD PRO 10 HD2 PRO 10 -8.032 -0.500 -6.269
77 2HD PRO 10 HD1 PRO 10 -7.446 1.181 -6.182
78 H GLY 11 HN GLY 11 -10.499 -0.431 -2.801
79 1HA GLY 11 HA2 GLY 11 -12.231 -2.555 -3.955
80 2HA GLY 11 HA1 GLY 11 -11.201 -2.745 -2.537
81 H MET 12 HN MET 12 -12.113 -0.040 -1.550
82 HA MET 12 HA MET 12 -13.756 0.796 -0.096
83 1HB MET 12 HB2 MET 12 -15.337 -0.815 -2.115
84 2HB MET 12 HB1 MET 12 -16.122 0.125 -0.849
85 1HG MET 12 HG2 MET 12 -15.319 2.170 -1.700
86 2HG MET 12 HG1 MET 12 -14.057 1.382 -2.649
87 1HE MET 12 HE3 MET 12 -13.949 1.147 -4.561
88 2HE MET 12 HE2 MET 12 -14.989 -0.016 -5.381
89 3HE MET 12 HE1 MET 12 -15.089 1.693 -5.799
90 H THR 13 HN THR 13 -15.495 -2.200 -0.694
91 HA THR 13 HA THR 13 -16.187 -3.872 0.814
92 HB THR 13 HB THR 13 -14.084 -4.494 2.349
93 HG1 THR 13 HG1 THR 13 -12.261 -3.812 0.820
94 1HG2 THR 13 HG21 THR 13 -14.472 -4.847 -0.614
95 2HG2 THR 13 HG23 THR 13 -13.095 -5.577 0.211
96 3HG2 THR 13 HG22 THR 13 -14.736 -6.013 0.683
97 H CYS 14 HN CYS 14 -16.058 -0.824 1.672
98 HA CYS 14 HA CYS 14 -16.692 0.402 3.572
99 1HB CYS 14 HB2 CYS 14 -18.203 -1.919 3.289
100 2HB CYS 14 HB1 CYS 14 -17.743 -1.923 4.992
101 HG CYS 14 HG CYS 14 -19.573 -0.269 5.257
102 H ALA 15 HN ALA 15 -14.967 1.049 4.789
103 HA ALA 15 HA ALA 15 -13.155 0.943 6.320
104 1HB ALA 15 HB3 ALA 15 -15.682 0.489 7.390
105 2HB ALA 15 HB2 ALA 15 -14.688 -0.764 8.132
106 3HB ALA 15 HB1 ALA 15 -14.241 0.933 8.303
107 H ALA 16 HN ALA 16 -13.310 -1.418 4.372
108 HA ALA 16 HA ALA 16 -11.827 -3.399 6.077
109 1HB ALA 16 HB3 ALA 16 -13.889 -3.591 3.951
110 2HB ALA 16 HB2 ALA 16 -12.594 -4.783 3.861
111 3HB ALA 16 HB1 ALA 16 -13.587 -4.665 5.315
112 H CYS 17 HN CYS 17 -12.063 -1.878 2.880
113 HA CYS 17 HA CYS 17 -9.761 -2.876 1.619
114 1HB CYS 17 HB2 CYS 17 -11.707 -0.964 1.200
115 2HB CYS 17 HB1 CYS 17 -10.229 -0.004 1.263
116 HG CYS 17 HG CYS 17 -10.722 -2.328 -0.768
117 HA PRO 18 HA PRO 18 -7.228 0.754 3.589
118 1HB PRO 18 HB2 PRO 18 -8.431 1.652 5.983
119 2HB PRO 18 HB1 PRO 18 -8.363 2.506 4.439
120 1HG PRO 18 HG2 PRO 18 -10.649 1.274 5.727
121 2HG PRO 18 HG1 PRO 18 -10.607 2.274 4.275
122 1HD PRO 18 HD2 PRO 18 -11.003 -0.568 4.448
123 2HD PRO 18 HD1 PRO 18 -10.931 0.426 2.974
124 H ILE 19 HN ILE 19 -8.794 -1.683 5.600
125 HA ILE 19 HA ILE 19 -6.574 -1.621 7.571
126 HB ILE 19 HB ILE 19 -9.192 -3.098 7.257
127 1HG1 ILE 19 HG12 ILE 19 -9.363 -1.975 9.636
128 2HG1 ILE 19 HG11 ILE 19 -8.060 -0.951 9.031
129 1HG2 ILE 19 HG22 ILE 19 -7.078 -3.507 9.395
130 2HG2 ILE 19 HG21 ILE 19 -8.697 -4.207 9.411
131 3HG2 ILE 19 HG23 ILE 19 -7.542 -4.686 8.168
132 1HD1 ILE 19 HD12 ILE 19 -10.050 -1.192 6.983
133 2HD1 ILE 19 HD11 ILE 19 -10.847 -0.731 8.486
134 3HD1 ILE 19 HD13 ILE 19 -9.536 0.258 7.844
135 H THR 20 HN THR 20 -7.881 -3.645 5.019
136 HA THR 20 HA THR 20 -6.097 -5.884 5.407
137 HB THR 20 HB THR 20 -8.078 -4.827 3.427
138 HG1 THR 20 HG1 THR 20 -9.202 -6.487 4.149
139 1HG2 THR 20 HG23 THR 20 -6.111 -7.051 2.913
140 2HG2 THR 20 HG22 THR 20 -7.639 -6.904 2.043
141 3HG2 THR 20 HG21 THR 20 -6.424 -5.630 1.917
142 H VAL 21 HN VAL 21 -6.218 -3.060 3.244
143 HA VAL 21 HA VAL 21 -3.917 -3.690 1.707
144 HB VAL 21 HB VAL 21 -5.195 -1.061 2.517
145 1HG1 VAL 21 HG12 VAL 21 -3.053 -1.758 0.526
146 2HG1 VAL 21 HG11 VAL 21 -4.120 -0.383 0.240
147 3HG1 VAL 21 HG13 VAL 21 -3.100 -0.427 1.678
148 1HG2 VAL 21 HG21 VAL 21 -6.547 -2.873 1.263
149 2HG2 VAL 21 HG23 VAL 21 -6.507 -1.260 0.551
150 3HG2 VAL 21 HG22 VAL 21 -5.485 -2.540 -0.102
151 H LYS 22 HN LYS 22 -4.305 -1.584 4.569
152 HA LYS 22 HA LYS 22 -1.637 -0.771 4.902
153 1HB LYS 22 HB2 LYS 22 -3.723 -0.125 6.204
154 2HB LYS 22 HB1 LYS 22 -3.520 -1.622 7.117
155 1HG LYS 22 HG2 LYS 22 -1.291 -0.915 7.842
156 2HG LYS 22 HG1 LYS 22 -1.423 0.556 6.878
157 1HD LYS 22 HD2 LYS 22 -3.599 0.973 8.259
158 2HD LYS 22 HD1 LYS 22 -2.909 -0.196 9.385
159 1HE LYS 22 HE2 LYS 22 -0.885 1.720 8.579
160 2HE LYS 22 HE1 LYS 22 -2.300 2.550 9.257
161 1HZ LYS 22 HZ3 LYS 22 -1.325 0.096 10.544
162 2HZ LYS 22 HZ2 LYS 22 -0.503 1.553 10.839
163 3HZ LYS 22 HZ1 LYS 22 -2.150 1.411 11.227
164 H LYS 23 HN LYS 23 -3.180 -3.781 6.074
165 HA LYS 23 HA LYS 23 -0.809 -4.781 7.369
166 1HB LYS 23 HB2 LYS 23 -3.476 -5.814 6.494
167 2HB LYS 23 HB1 LYS 23 -2.251 -6.976 7.006
168 1HG LYS 23 HG2 LYS 23 -2.014 -5.163 9.000
169 2HG LYS 23 HG1 LYS 23 -3.720 -4.949 8.604
170 1HD LYS 23 HD2 LYS 23 -4.249 -7.183 9.114
171 2HD LYS 23 HD1 LYS 23 -2.571 -7.710 8.971
172 1HE LYS 23 HE2 LYS 23 -2.979 -5.636 11.028
173 2HE LYS 23 HE1 LYS 23 -3.813 -7.165 11.366
174 1HZ LYS 23 HZ1 LYS 23 -1.675 -8.275 10.663
175 2HZ LYS 23 HZ3 LYS 23 -0.940 -6.750 10.769
176 3HZ LYS 23 HZ2 LYS 23 -1.629 -7.459 12.151
177 H ALA 24 HN ALA 24 -1.877 -4.829 4.066
178 HA ALA 24 HA ALA 24 -0.263 -7.064 3.223
179 1HB ALA 24 HB1 ALA 24 -2.245 -5.269 2.198
180 2HB ALA 24 HB3 ALA 24 -0.878 -5.284 1.084
181 3HB ALA 24 HB2 ALA 24 -1.692 -6.792 1.500
182 H LEU 25 HN LEU 25 -0.017 -3.591 2.407
183 HA LEU 25 HA LEU 25 2.585 -3.647 1.302
184 1HB LEU 25 HB2 LEU 25 1.154 -1.482 2.873
185 2HB LEU 25 HB1 LEU 25 2.486 -1.219 1.746
186 HG LEU 25 HG LEU 25 0.767 -2.692 0.212
187 1HD1 LEU 25 HD13 LEU 25 -0.750 -1.475 2.395
188 2HD1 LEU 25 HD12 LEU 25 -1.335 -1.010 0.797
189 3HD1 LEU 25 HD11 LEU 25 -1.236 -2.715 1.238
190 1HD2 LEU 25 HD23 LEU 25 1.464 0.150 0.569
191 2HD2 LEU 25 HD22 LEU 25 1.498 -0.833 -0.893
192 3HD2 LEU 25 HD21 LEU 25 -0.021 -0.130 -0.335
193 H SER 26 HN SER 26 1.527 -3.487 4.649
194 HA SER 26 HA SER 26 4.147 -2.784 5.737
195 1HB SER 26 HB2 SER 26 2.989 -2.823 7.763
196 2HB SER 26 HB1 SER 26 1.648 -2.586 6.645
197 HG SER 26 HG SER 26 1.120 -4.696 6.824
198 H LYS 27 HN LYS 27 2.392 -5.766 4.986
199 HA LYS 27 HA LYS 27 4.402 -7.418 6.350
200 1HB LYS 27 HB2 LYS 27 2.352 -8.438 6.566
201 2HB LYS 27 HB1 LYS 27 1.731 -7.691 5.099
202 1HG LYS 27 HG2 LYS 27 3.812 -9.857 4.934
203 2HG LYS 27 HG1 LYS 27 2.103 -10.262 5.107
204 1HD LYS 27 HD2 LYS 27 2.374 -8.210 3.118
205 2HD LYS 27 HD1 LYS 27 3.474 -9.534 2.730
206 1HE LYS 27 HE2 LYS 27 0.581 -10.030 3.481
207 2HE LYS 27 HE1 LYS 27 1.096 -9.778 1.801
208 1HZ LYS 27 HZ1 LYS 27 2.865 -11.497 2.286
209 2HZ LYS 27 HZ3 LYS 27 1.990 -11.881 3.687
210 3HZ LYS 27 HZ2 LYS 27 1.274 -12.081 2.160
211 H VAL 28 HN VAL 28 4.210 -5.821 3.430
212 HA VAL 28 HA VAL 28 4.983 -7.457 1.355
213 HB VAL 28 HB VAL 28 5.851 -4.752 2.345
214 1HG1 VAL 28 HG13 VAL 28 7.204 -6.398 0.292
215 2HG1 VAL 28 HG12 VAL 28 6.766 -4.773 -0.236
216 3HG1 VAL 28 HG11 VAL 28 7.797 -4.992 1.178
217 1HG2 VAL 28 HG22 VAL 28 3.605 -5.201 1.288
218 2HG2 VAL 28 HG21 VAL 28 4.567 -3.980 0.455
219 3HG2 VAL 28 HG23 VAL 28 4.455 -5.613 -0.202
220 H GLU 29 HN GLU 29 7.655 -5.748 2.884
221 HA GLU 29 HA GLU 29 9.062 -7.979 3.982
222 1HB GLU 29 HB2 GLU 29 9.276 -8.953 1.869
223 2HB GLU 29 HB1 GLU 29 9.304 -7.395 1.045
224 1HG GLU 29 HG2 GLU 29 11.555 -7.074 1.427
225 2HG GLU 29 HG1 GLU 29 11.543 -8.014 2.919
226 H GLY 30 HN GLY 30 9.688 -5.118 1.920
227 1HA GLY 30 HA2 GLY 30 11.791 -4.248 3.829
228 2HA GLY 30 HA1 GLY 30 11.531 -3.581 2.215
229 H VAL 31 HN VAL 31 8.546 -3.545 2.810
230 HA VAL 31 HA VAL 31 8.217 -0.839 3.511
231 HB VAL 31 HB VAL 31 6.348 -3.161 4.074
232 1HG1 VAL 31 HG13 VAL 31 6.108 -0.211 4.086
233 2HG1 VAL 31 HG12 VAL 31 4.824 -1.062 3.228
234 3HG1 VAL 31 HG11 VAL 31 5.140 -1.422 4.925
235 1HG2 VAL 31 HG22 VAL 31 7.010 -1.632 1.552
236 2HG2 VAL 31 HG21 VAL 31 6.985 -3.378 1.794
237 3HG2 VAL 31 HG23 VAL 31 5.473 -2.473 1.749
238 H SER 32 HN SER 32 8.226 0.262 5.343
239 HA SER 32 HA SER 32 8.341 -1.272 7.920
240 1HB SER 32 HB2 SER 32 10.531 -0.336 6.997
241 2HB SER 32 HB1 SER 32 9.851 1.266 7.255
242 HG SER 32 HG SER 32 9.405 0.214 9.484
243 H LYS 33 HN LYS 33 6.710 1.038 6.097
244 HA LYS 33 HA LYS 33 5.194 1.884 8.499
245 1HB LYS 33 HB2 LYS 33 6.795 3.564 8.657
246 2HB LYS 33 HB1 LYS 33 7.067 3.607 6.920
247 1HG LYS 33 HG2 LYS 33 5.036 4.811 6.533
248 2HG LYS 33 HG1 LYS 33 4.464 4.504 8.174
249 1HD LYS 33 HD2 LYS 33 5.727 6.182 9.067
250 2HD LYS 33 HD1 LYS 33 7.083 5.872 7.982
251 1HE LYS 33 HE2 LYS 33 6.154 8.033 7.378
252 2HE LYS 33 HE1 LYS 33 5.668 6.886 6.113
253 1HZ LYS 33 HZ2 LYS 33 4.028 7.417 8.529
254 2HZ LYS 33 HZ1 LYS 33 3.814 8.264 7.072
255 3HZ LYS 33 HZ3 LYS 33 3.566 6.587 7.119
256 H VAL 34 HN VAL 34 3.125 1.565 7.825
257 HA VAL 34 HA VAL 34 2.434 2.170 4.974
258 HB VAL 34 HB VAL 34 0.852 0.560 6.987
259 1HG1 VAL 34 HG11 VAL 34 0.847 1.008 4.036
260 2HG1 VAL 34 HG13 VAL 34 0.416 -0.601 4.618
261 3HG1 VAL 34 HG12 VAL 34 -0.510 0.805 5.143
262 1HG2 VAL 34 HG21 VAL 34 3.433 -0.052 5.769
263 2HG2 VAL 34 HG23 VAL 34 2.554 -0.929 7.020
264 3HG2 VAL 34 HG22 VAL 34 2.201 -1.231 5.319
265 H ASP 35 HN ASP 35 -0.139 2.724 4.954
266 HA ASP 35 HA ASP 35 -0.978 4.386 7.229
267 1HB ASP 35 HB2 ASP 35 0.785 5.609 5.739
268 2HB ASP 35 HB1 ASP 35 -0.543 5.769 4.590
269 H VAL 36 HN VAL 36 -3.167 5.238 6.887
270 HA VAL 36 HA VAL 36 -4.653 3.690 4.797
271 HB VAL 36 HB VAL 36 -5.624 4.855 7.424
272 1HG1 VAL 36 HG12 VAL 36 -7.180 4.155 5.417
273 2HG1 VAL 36 HG11 VAL 36 -6.802 2.520 5.958
274 3HG1 VAL 36 HG13 VAL 36 -7.588 3.651 7.058
275 1HG2 VAL 36 HG23 VAL 36 -4.085 2.412 6.785
276 2HG2 VAL 36 HG22 VAL 36 -4.270 3.252 8.325
277 3HG2 VAL 36 HG21 VAL 36 -5.522 2.140 7.770
278 H GLY 37 HN GLY 37 -5.896 4.831 3.343
279 1HA GLY 37 HA2 GLY 37 -6.563 7.665 3.930
280 2HA GLY 37 HA1 GLY 37 -5.671 7.315 2.448
281 H PHE 38 HN PHE 38 -8.522 5.950 4.144
282 HA PHE 38 HA PHE 38 -9.791 4.971 1.782
283 1HB PHE 38 HB2 PHE 38 -10.152 4.749 4.447
284 2HB PHE 38 HB1 PHE 38 -11.426 5.912 4.085
285 HD1 PHE 38 HD2 PHE 38 -10.160 3.207 1.829
286 HD2 PHE 38 HD1 PHE 38 -13.368 4.576 4.344
287 HE1 PHE 38 HE2 PHE 38 -11.601 1.378 0.986
288 HE2 PHE 38 HE1 PHE 38 -14.803 2.741 3.500
289 HZ PHE 38 HZ PHE 38 -13.928 1.142 1.827
290 H GLU 39 HN GLU 39 -9.460 8.192 2.983
291 HA GLU 39 HA GLU 39 -11.758 9.548 2.205
292 1HB GLU 39 HB2 GLU 39 -8.876 10.059 2.398
293 2HB GLU 39 HB1 GLU 39 -9.667 11.094 1.209
294 1HG GLU 39 HG2 GLU 39 -11.336 10.926 3.538
295 2HG GLU 39 HG1 GLU 39 -9.701 11.363 4.038
296 H LYS 40 HN LYS 40 -9.418 7.910 0.190
297 HA LYS 40 HA LYS 40 -11.178 8.240 -2.159
298 1HB LYS 40 HB2 LYS 40 -9.164 10.040 -1.729
299 2HB LYS 40 HB1 LYS 40 -8.321 8.815 -2.678
300 1HG LYS 40 HG2 LYS 40 -9.604 9.182 -4.556
301 2HG LYS 40 HG1 LYS 40 -11.022 9.662 -3.623
302 1HD LYS 40 HD2 LYS 40 -10.201 11.650 -4.688
303 2HD LYS 40 HD1 LYS 40 -9.752 11.768 -2.986
304 1HE LYS 40 HE2 LYS 40 -7.482 11.272 -3.423
305 2HE LYS 40 HE1 LYS 40 -7.852 10.576 -5.014
306 1HZ LYS 40 HZ3 LYS 40 -8.831 12.892 -5.491
307 2HZ LYS 40 HZ2 LYS 40 -7.877 13.408 -4.184
308 3HZ LYS 40 HZ1 LYS 40 -7.147 12.704 -5.546
309 H ARG 41 HN ARG 41 -10.698 5.921 -0.697
310 HA ARG 41 HA ARG 41 -9.759 3.740 -0.817
311 1HB ARG 41 HB2 ARG 41 -9.877 4.209 -3.791
312 2HB ARG 41 HB1 ARG 41 -10.344 2.775 -2.881
313 1HG ARG 41 HG2 ARG 41 -11.799 5.421 -2.695
314 2HG ARG 41 HG1 ARG 41 -12.279 4.116 -3.776
315 1HD ARG 41 HD2 ARG 41 -13.427 3.163 -2.071
316 2HD ARG 41 HD1 ARG 41 -11.905 2.980 -1.174
317 HE ARG 41 HE ARG 41 -12.530 5.669 -0.886
318 1HH1 ARG 41 HH21 ARG 41 -14.149 2.671 -0.335
319 2HH1 ARG 41 HH22 ARG 41 -15.069 3.267 1.005
320 1HH2 ARG 41 HH11 ARG 41 -13.721 6.455 0.864
321 2HH2 ARG 41 HH12 ARG 41 -14.824 5.403 1.687
322 H GLU 42 HN GLU 42 -7.642 5.106 -0.190
323 HA GLU 42 HA GLU 42 -5.538 4.277 -2.151
324 1HB GLU 42 HB2 GLU 42 -5.740 6.555 -2.650
325 2HB GLU 42 HB1 GLU 42 -6.175 6.978 -0.996
326 1HG GLU 42 HG2 GLU 42 -3.458 5.827 -1.431
327 2HG GLU 42 HG1 GLU 42 -3.734 7.477 -1.989
328 H ALA 43 HN ALA 43 -3.532 3.682 -1.150
329 HA ALA 43 HA ALA 43 -3.557 3.685 1.862
330 1HB ALA 43 HB3 ALA 43 -3.797 1.488 0.224
331 2HB ALA 43 HB2 ALA 43 -2.048 1.562 0.435
332 3HB ALA 43 HB1 ALA 43 -3.100 1.431 1.844
333 H VAL 44 HN VAL 44 -1.688 4.640 2.723
334 HA VAL 44 HA VAL 44 0.421 5.345 0.723
335 HB VAL 44 HB VAL 44 -0.918 6.628 2.996
336 1HG1 VAL 44 HG12 VAL 44 1.350 6.192 4.004
337 2HG1 VAL 44 HG11 VAL 44 2.063 7.091 2.665
338 3HG1 VAL 44 HG13 VAL 44 0.989 7.907 3.802
339 1HG2 VAL 44 HG22 VAL 44 -0.243 7.159 0.343
340 2HG2 VAL 44 HG21 VAL 44 -1.021 8.272 1.468
341 3HG2 VAL 44 HG23 VAL 44 0.733 8.289 1.282
342 H VAL 45 HN VAL 45 2.584 4.826 1.144
343 HA VAL 45 HA VAL 45 3.105 3.203 3.594
344 HB VAL 45 HB VAL 45 4.479 2.113 1.310
345 1HG1 VAL 45 HG13 VAL 45 3.607 1.150 3.610
346 2HG1 VAL 45 HG12 VAL 45 2.170 0.767 2.661
347 3HG1 VAL 45 HG11 VAL 45 3.738 0.107 2.195
348 1HG2 VAL 45 HG21 VAL 45 2.482 3.175 0.106
349 2HG2 VAL 45 HG23 VAL 45 2.678 1.436 -0.112
350 3HG2 VAL 45 HG22 VAL 45 1.465 2.052 1.010
351 H THR 46 HN THR 46 5.470 2.546 3.571
352 HA THR 46 HA THR 46 7.407 4.466 2.474
353 HB THR 46 HB THR 46 6.498 4.274 5.334
354 HG1 THR 46 HG1 THR 46 7.616 6.499 4.045
355 1HG2 THR 46 HG22 THR 46 9.296 4.339 4.418
356 2HG2 THR 46 HG21 THR 46 8.878 5.628 5.547
357 3HG2 THR 46 HG23 THR 46 8.643 3.942 6.007
358 H PHE 47 HN PHE 47 9.470 3.349 2.337
359 HA PHE 47 HA PHE 47 9.777 0.852 3.843
360 1HB PHE 47 HB2 PHE 47 9.599 -0.576 1.850
361 2HB PHE 47 HB1 PHE 47 8.104 0.327 2.100
362 HD1 PHE 47 HD2 PHE 47 11.293 0.292 0.138
363 HD2 PHE 47 HD1 PHE 47 7.313 1.882 0.503
364 HE1 PHE 47 HE2 PHE 47 11.495 1.298 -2.105
365 HE2 PHE 47 HE1 PHE 47 7.514 2.889 -1.752
366 HZ PHE 47 HZ PHE 47 9.596 2.597 -3.057
367 H ASP 48 HN ASP 48 11.522 -0.519 2.648
368 HA ASP 48 HA ASP 48 13.794 1.318 2.051
369 1HB ASP 48 HB2 ASP 48 13.390 -1.223 3.519
370 2HB ASP 48 HB1 ASP 48 14.856 -1.166 2.539
371 H ASP 49 HN ASP 49 14.145 1.441 -0.122
372 HA ASP 49 HA ASP 49 12.952 -0.289 -2.041
373 1HB ASP 49 HB2 ASP 49 13.766 2.027 -2.396
374 2HB ASP 49 HB1 ASP 49 15.427 1.450 -2.255
375 H THR 50 HN THR 50 15.583 -0.914 0.000
376 HA THR 50 HA THR 50 17.172 -2.565 -1.796
377 HB THR 50 HB THR 50 17.957 -1.369 0.276
378 HG1 THR 50 HG1 THR 50 18.991 -3.275 -0.662
379 1HG2 THR 50 HG22 THR 50 15.789 -2.860 1.409
380 2HG2 THR 50 HG21 THR 50 17.287 -3.360 2.194
381 3HG2 THR 50 HG23 THR 50 16.819 -1.660 2.189
382 H LYS 51 HN LYS 51 14.317 -3.087 0.148
383 HA LYS 51 HA LYS 51 14.473 -6.009 -0.494
384 1HB LYS 51 HB2 LYS 51 14.276 -4.571 2.021
385 2HB LYS 51 HB1 LYS 51 12.908 -5.665 1.815
386 1HG LYS 51 HG2 LYS 51 14.266 -7.562 1.712
387 2HG LYS 51 HG1 LYS 51 15.684 -6.641 1.211
388 1HD LYS 51 HD2 LYS 51 15.913 -7.368 3.552
389 2HD LYS 51 HD1 LYS 51 15.803 -5.610 3.457
390 1HE LYS 51 HE2 LYS 51 13.768 -5.552 4.516
391 2HE LYS 51 HE1 LYS 51 13.213 -7.049 3.741
392 1HZ LYS 51 HZ3 LYS 51 15.001 -8.180 5.115
393 2HZ LYS 51 HZ2 LYS 51 15.068 -6.750 6.030
394 3HZ LYS 51 HZ1 LYS 51 13.627 -7.647 5.956
395 H ALA 52 HN ALA 52 12.745 -3.141 -0.894
396 HA ALA 52 HA ALA 52 10.454 -4.594 -2.056
397 1HB ALA 52 HB3 ALA 52 10.429 -3.085 0.515
398 2HB ALA 52 HB2 ALA 52 9.044 -2.857 -0.552
399 3HB ALA 52 HB1 ALA 52 9.459 -4.472 0.021
400 H SER 53 HN SER 53 8.735 -2.550 -2.518
401 HA SER 53 HA SER 53 9.804 0.000 -3.192
402 1HB SER 53 HB2 SER 53 11.310 -1.157 -4.663
403 2HB SER 53 HB1 SER 53 10.022 -2.193 -5.270
404 HG SER 53 HG SER 53 9.225 -0.544 -6.428
405 H VAL 54 HN VAL 54 8.314 1.127 -4.820
406 HA VAL 54 HA VAL 54 5.630 0.987 -4.205
407 HB VAL 54 HB VAL 54 6.540 2.738 -5.596
408 1HG1 VAL 54 HG12 VAL 54 8.218 1.146 -6.686
409 2HG1 VAL 54 HG11 VAL 54 6.922 0.688 -7.790
410 3HG1 VAL 54 HG13 VAL 54 7.502 2.353 -7.754
411 1HG2 VAL 54 HG21 VAL 54 4.131 1.641 -6.030
412 2HG2 VAL 54 HG23 VAL 54 4.726 2.982 -7.009
413 3HG2 VAL 54 HG22 VAL 54 4.842 1.331 -7.613
414 H GLN 55 HN GLN 55 7.316 -0.954 -6.682
415 HA GLN 55 HA GLN 55 5.100 -2.245 -7.855
416 1HB GLN 55 HB2 GLN 55 7.861 -2.366 -7.956
417 2HB GLN 55 HB1 GLN 55 7.434 -3.956 -7.322
418 1HG GLN 55 HG2 GLN 55 5.687 -4.043 -9.216
419 2HG GLN 55 HG1 GLN 55 6.565 -2.685 -9.919
420 1HE2 GLN 55 HE22 GLN 55 9.556 -4.688 -10.486
421 2HE2 GLN 55 HE21 GLN 55 9.114 -3.139 -9.951
422 H LYS 56 HN LYS 56 6.984 -3.234 -4.977
423 HA LYS 56 HA LYS 56 5.257 -5.497 -4.410
424 1HB LYS 56 HB2 LYS 56 7.296 -4.028 -2.708
425 2HB LYS 56 HB1 LYS 56 6.665 -5.645 -2.394
426 1HG LYS 56 HG2 LYS 56 8.170 -4.841 -4.901
427 2HG LYS 56 HG1 LYS 56 8.880 -5.701 -3.534
428 1HD LYS 56 HD2 LYS 56 7.995 -7.672 -4.193
429 2HD LYS 56 HD1 LYS 56 6.407 -6.952 -4.457
430 1HE LYS 56 HE2 LYS 56 7.139 -6.095 -6.652
431 2HE LYS 56 HE1 LYS 56 8.749 -6.795 -6.390
432 1HZ LYS 56 HZ2 LYS 56 7.172 -8.868 -5.799
433 2HZ LYS 56 HZ1 LYS 56 6.242 -8.118 -7.007
434 3HZ LYS 56 HZ3 LYS 56 7.832 -8.603 -7.342
435 H LEU 57 HN LEU 57 5.044 -2.081 -3.661
436 HA LEU 57 HA LEU 57 3.416 -2.438 -1.259
437 1HB LEU 57 HB2 LEU 57 3.638 -0.101 -3.189
438 2HB LEU 57 HB1 LEU 57 3.059 -0.030 -1.527
439 HG LEU 57 HG LEU 57 5.861 -0.840 -2.353
440 1HD1 LEU 57 HD13 LEU 57 4.609 1.715 -2.115
441 2HD1 LEU 57 HD12 LEU 57 5.727 1.532 -0.764
442 3HD1 LEU 57 HD11 LEU 57 6.309 1.361 -2.420
443 1HD2 LEU 57 HD21 LEU 57 4.354 -1.106 0.116
444 2HD2 LEU 57 HD23 LEU 57 5.983 -1.675 -0.253
445 3HD2 LEU 57 HD22 LEU 57 5.737 -0.036 0.351
446 H THR 58 HN THR 58 2.679 -1.295 -4.578
447 HA THR 58 HA THR 58 -0.152 -1.479 -4.397
448 HB THR 58 HB THR 58 1.910 -1.614 -6.600
449 HG1 THR 58 HG1 THR 58 1.319 0.363 -5.536
450 1HG2 THR 58 HG22 THR 58 -0.004 -3.054 -7.279
451 2HG2 THR 58 HG21 THR 58 -1.095 -1.698 -6.993
452 3HG2 THR 58 HG23 THR 58 0.122 -1.597 -8.265
453 H LYS 59 HN LYS 59 2.334 -3.913 -5.053
454 HA LYS 59 HA LYS 59 0.516 -5.981 -5.895
455 1HB LYS 59 HB2 LYS 59 2.780 -6.126 -6.586
456 2HB LYS 59 HB1 LYS 59 3.376 -5.807 -4.957
457 1HG LYS 59 HG2 LYS 59 2.915 -7.969 -4.217
458 2HG LYS 59 HG1 LYS 59 1.689 -8.240 -5.456
459 1HD LYS 59 HD2 LYS 59 4.624 -7.893 -6.103
460 2HD LYS 59 HD1 LYS 59 3.888 -9.470 -5.816
461 1HE LYS 59 HE2 LYS 59 2.139 -8.276 -7.624
462 2HE LYS 59 HE1 LYS 59 3.744 -7.781 -8.201
463 1HZ LYS 59 HZ2 LYS 59 3.380 -10.537 -7.269
464 2HZ LYS 59 HZ1 LYS 59 2.775 -10.130 -8.803
465 3HZ LYS 59 HZ3 LYS 59 4.424 -9.931 -8.464
466 H ALA 60 HN ALA 60 1.878 -4.937 -2.808
467 HA ALA 60 HA ALA 60 1.108 -7.211 -1.265
468 1HB ALA 60 HB2 ALA 60 2.313 -4.627 -0.937
469 2HB ALA 60 HB1 ALA 60 1.067 -4.826 0.295
470 3HB ALA 60 HB3 ALA 60 2.372 -6.004 0.164
471 H THR 61 HN THR 61 -0.467 -4.067 -1.864
472 HA THR 61 HA THR 61 -2.846 -4.670 -0.345
473 HB THR 61 HB THR 61 -2.095 -2.388 -0.901
474 HG1 THR 61 HG1 THR 61 -4.103 -1.703 -1.964
475 1HG2 THR 61 HG21 THR 61 -2.494 -3.338 -3.742
476 2HG2 THR 61 HG23 THR 61 -2.373 -1.635 -3.309
477 3HG2 THR 61 HG22 THR 61 -1.015 -2.719 -3.010
478 H ALA 62 HN ALA 62 -1.733 -5.114 -3.585
479 HA ALA 62 HA ALA 62 -4.169 -5.907 -4.856
480 1HB ALA 62 HB2 ALA 62 -1.248 -6.046 -5.299
481 2HB ALA 62 HB1 ALA 62 -2.169 -7.304 -6.123
482 3HB ALA 62 HB3 ALA 62 -2.528 -5.605 -6.429
483 H ASP 63 HN ASP 63 -1.819 -7.567 -2.833
484 HA ASP 63 HA ASP 63 -3.067 -10.208 -3.244
485 1HB ASP 63 HB2 ASP 63 -0.575 -9.680 -2.914
486 2HB ASP 63 HB1 ASP 63 -0.972 -9.352 -1.227
487 H ALA 64 HN ALA 64 -3.478 -7.454 -1.263
488 HA ALA 64 HA ALA 64 -4.508 -8.785 1.117
489 1HB ALA 64 HB1 ALA 64 -3.575 -6.302 0.497
490 2HB ALA 64 HB3 ALA 64 -5.311 -6.011 0.388
491 3HB ALA 64 HB2 ALA 64 -4.611 -6.612 1.890
492 H GLY 65 HN GLY 65 -5.684 -7.769 -1.990
493 1HA GLY 65 HA2 GLY 65 -7.789 -9.144 -2.586
494 2HA GLY 65 HA1 GLY 65 -8.474 -8.399 -1.147
495 H TYR 66 HN TYR 66 -6.359 -6.382 -3.030
496 HA TYR 66 HA TYR 66 -8.700 -5.192 -4.449
497 1HB TYR 66 HB2 TYR 66 -6.740 -3.648 -2.744
498 2HB TYR 66 HB1 TYR 66 -8.209 -3.032 -3.495
499 HD1 TYR 66 HD1 TYR 66 -10.372 -4.510 -2.893
500 HD2 TYR 66 HD2 TYR 66 -6.817 -4.124 -0.543
501 HE1 TYR 66 HE1 TYR 66 -11.654 -5.111 -0.875
502 HE2 TYR 66 HE2 TYR 66 -8.082 -4.711 1.484
503 HH TYR 66 HH TYR 66 -10.086 -5.205 2.339
504 HA PRO 67 HA PRO 67 -5.303 -5.201 -7.478
505 1HB PRO 67 HB2 PRO 67 -7.214 -4.033 -9.306
506 2HB PRO 67 HB1 PRO 67 -6.558 -5.673 -9.325
507 1HG PRO 67 HG2 PRO 67 -9.211 -4.861 -8.614
508 2HG PRO 67 HG1 PRO 67 -8.538 -6.494 -8.594
509 1HD PRO 67 HD2 PRO 67 -9.215 -4.831 -6.333
510 2HD PRO 67 HD1 PRO 67 -8.529 -6.475 -6.314
511 H SER 68 HN SER 68 -4.168 -3.449 -6.463
512 HA SER 68 HA SER 68 -5.299 -0.714 -6.872
513 1HB SER 68 HB2 SER 68 -4.743 -0.576 -4.693
514 2HB SER 68 HB1 SER 68 -3.994 -2.167 -4.759
515 HG SER 68 HG SER 68 -2.731 -0.023 -4.335
516 H SER 69 HN SER 69 -3.104 0.825 -6.652
517 HA SER 69 HA SER 69 -0.960 0.003 -8.495
518 1HB SER 69 HB2 SER 69 -1.842 2.397 -9.610
519 2HB SER 69 HB1 SER 69 -2.120 0.796 -10.289
520 HG SER 69 HG SER 69 -4.008 2.241 -9.815
521 H VAL 70 HN VAL 70 0.048 2.597 -8.930
522 HA VAL 70 HA VAL 70 0.195 3.731 -6.189
523 HB VAL 70 HB VAL 70 1.940 2.021 -6.866
524 1HG1 VAL 70 HG12 VAL 70 2.060 3.674 -9.141
525 2HG1 VAL 70 HG11 VAL 70 3.572 3.959 -8.281
526 3HG1 VAL 70 HG13 VAL 70 3.126 2.322 -8.762
527 1HG2 VAL 70 HG22 VAL 70 2.145 4.456 -5.441
528 2HG2 VAL 70 HG21 VAL 70 3.188 3.045 -5.272
529 3HG2 VAL 70 HG23 VAL 70 3.621 4.335 -6.394
530 H LYS 71 HN LYS 71 1.020 5.942 -6.138
531 HA LYS 71 HA LYS 71 0.850 7.303 -8.813
532 1HB LYS 71 HB2 LYS 71 -0.472 9.077 -7.720
533 2HB LYS 71 HB1 LYS 71 -1.265 7.514 -7.524
534 1HG LYS 71 HG2 LYS 71 0.109 7.392 -5.300
535 2HG LYS 71 HG1 LYS 71 0.227 9.142 -5.489
536 1HD LYS 71 HD2 LYS 71 -2.480 8.333 -6.008
537 2HD LYS 71 HD1 LYS 71 -1.965 7.652 -4.465
538 1HE LYS 71 HE2 LYS 71 -1.907 9.699 -3.459
539 2HE LYS 71 HE1 LYS 71 -1.141 10.461 -4.867
540 1HZ LYS 71 HZ1 LYS 71 -3.398 10.027 -5.986
541 2HZ LYS 71 HZ3 LYS 71 -3.999 9.885 -4.407
542 3HZ LYS 71 HZ2 LYS 71 -3.273 11.336 -4.912
543 H GLN 72 HN GLN 72 3.168 6.474 -7.444
544 HA GLN 72 HA GLN 72 4.673 8.955 -7.415
545 1HB GLN 72 HB2 GLN 72 3.502 7.861 -4.926
546 2HB GLN 72 HB1 GLN 72 5.207 8.301 -4.813
547 1HG GLN 72 HG2 GLN 72 4.012 10.397 -6.246
548 2HG GLN 72 HG1 GLN 72 2.883 10.032 -4.941
549 1HE2 GLN 72 HE22 GLN 72 4.879 11.807 -2.660
550 2HE2 GLN 72 HE21 GLN 72 3.326 11.408 -3.215
No H/Q in entry = 550
Start of MODEL 5
1 1H ALA 1 HT3 ALA 1 17.473 1.397 0.880
2 2H ALA 1 HT2 ALA 1 16.831 1.309 -0.691
3 3H ALA 1 HT1 ALA 1 18.395 1.925 -0.442
4 HA ALA 1 HA ALA 1 17.639 3.925 0.408
5 1HB ALA 1 HB2 ALA 1 16.735 2.904 -2.010
6 2HB ALA 1 HB1 ALA 1 15.272 3.569 -1.285
7 3HB ALA 1 HB3 ALA 1 16.680 4.602 -1.536
8 H THR 2 HN THR 2 15.196 5.069 0.647
9 HA THR 2 HA THR 2 13.422 3.450 2.315
10 HB THR 2 HB THR 2 13.826 5.702 3.832
11 HG1 THR 2 HG1 THR 2 16.420 4.859 3.378
12 1HG2 THR 2 HG21 THR 2 13.995 2.986 4.162
13 2HG2 THR 2 HG23 THR 2 15.652 3.494 4.489
14 3HG2 THR 2 HG22 THR 2 14.321 4.168 5.430
15 H GLN 3 HN GLN 3 11.923 3.984 0.597
16 HA GLN 3 HA GLN 3 11.357 6.910 0.248
17 1HB GLN 3 HB2 GLN 3 10.483 4.587 -1.477
18 2HB GLN 3 HB1 GLN 3 10.546 6.294 -1.919
19 1HG GLN 3 HG2 GLN 3 13.041 6.214 -1.512
20 2HG GLN 3 HG1 GLN 3 12.890 4.465 -1.340
21 1HE2 GLN 3 HE22 GLN 3 12.471 3.887 -4.819
22 2HE2 GLN 3 HE21 GLN 3 12.372 3.210 -3.265
23 H THR 4 HN THR 4 9.030 7.431 -0.265
24 HA THR 4 HA THR 4 7.039 5.707 1.130
25 HB THR 4 HB THR 4 7.876 7.235 2.822
26 HG1 THR 4 HG1 THR 4 5.442 7.083 2.159
27 1HG2 THR 4 HG21 THR 4 8.760 8.833 0.977
28 2HG2 THR 4 HG23 THR 4 7.163 9.576 1.067
29 3HG2 THR 4 HG22 THR 4 8.201 9.540 2.492
30 H VAL 5 HN VAL 5 5.536 5.421 -0.475
31 HA VAL 5 HA VAL 5 4.763 7.756 -2.201
32 HB VAL 5 HB VAL 5 4.116 5.767 -3.717
33 1HG1 VAL 5 HG11 VAL 5 6.940 6.562 -3.036
34 2HG1 VAL 5 HG13 VAL 5 6.588 5.470 -4.375
35 3HG1 VAL 5 HG12 VAL 5 5.947 7.113 -4.386
36 1HG2 VAL 5 HG22 VAL 5 4.362 4.084 -1.854
37 2HG2 VAL 5 HG21 VAL 5 5.245 3.676 -3.326
38 3HG2 VAL 5 HG23 VAL 5 6.104 4.348 -1.939
39 H THR 6 HN THR 6 2.436 7.522 -2.970
40 HA THR 6 HA THR 6 0.737 6.465 -0.757
41 HB THR 6 HB THR 6 -0.877 8.031 -2.217
42 HG1 THR 6 HG1 THR 6 1.640 9.247 -2.582
43 1HG2 THR 6 HG22 THR 6 0.204 8.244 0.199
44 2HG2 THR 6 HG21 THR 6 1.152 9.502 -0.593
45 3HG2 THR 6 HG23 THR 6 -0.607 9.617 -0.555
46 H LEU 7 HN LEU 7 -1.263 5.306 -1.550
47 HA LEU 7 HA LEU 7 -0.882 4.215 -4.304
48 1HB LEU 7 HB2 LEU 7 -0.725 2.957 -1.677
49 2HB LEU 7 HB1 LEU 7 -1.920 2.165 -2.702
50 HG LEU 7 HG LEU 7 -0.325 1.687 -4.377
51 1HD1 LEU 7 HD13 LEU 7 1.356 3.752 -2.996
52 2HD1 LEU 7 HD12 LEU 7 2.076 2.569 -4.088
53 3HD1 LEU 7 HD11 LEU 7 0.855 3.685 -4.680
54 1HD2 LEU 7 HD21 LEU 7 0.569 1.223 -1.582
55 2HD2 LEU 7 HD23 LEU 7 0.262 0.055 -2.868
56 3HD2 LEU 7 HD22 LEU 7 1.777 0.956 -2.838
57 H ALA 8 HN ALA 8 -2.825 3.503 -5.309
58 HA ALA 8 HA ALA 8 -5.282 4.759 -4.135
59 1HB ALA 8 HB1 ALA 8 -4.055 4.495 -6.805
60 2HB ALA 8 HB3 ALA 8 -5.799 4.230 -6.784
61 3HB ALA 8 HB2 ALA 8 -5.129 5.748 -6.184
62 H VAL 9 HN VAL 9 -6.312 3.121 -3.006
63 HA VAL 9 HA VAL 9 -6.701 0.493 -4.395
64 HB VAL 9 HB VAL 9 -5.579 0.128 -2.348
65 1HG1 VAL 9 HG11 VAL 9 -7.340 2.345 -1.294
66 2HG1 VAL 9 HG13 VAL 9 -6.476 1.261 -0.204
67 3HG1 VAL 9 HG12 VAL 9 -5.578 2.272 -1.335
68 1HG2 VAL 9 HG22 VAL 9 -8.311 -0.623 -2.530
69 2HG2 VAL 9 HG21 VAL 9 -7.036 -1.409 -1.602
70 3HG2 VAL 9 HG23 VAL 9 -8.019 -0.150 -0.857
71 HA PRO 10 HA PRO 10 -10.870 2.401 -4.464
72 1HB PRO 10 HB2 PRO 10 -11.478 1.057 -6.846
73 2HB PRO 10 HB1 PRO 10 -10.866 2.709 -6.717
74 1HG PRO 10 HG2 PRO 10 -9.495 0.324 -7.690
75 2HG PRO 10 HG1 PRO 10 -8.995 2.015 -7.802
76 1HD PRO 10 HD2 PRO 10 -7.958 -0.013 -6.036
77 2HD PRO 10 HD1 PRO 10 -7.485 1.700 -6.129
78 H GLY 11 HN GLY 11 -10.078 -0.137 -3.007
79 1HA GLY 11 HA2 GLY 11 -11.795 -2.279 -3.819
80 2HA GLY 11 HA1 GLY 11 -11.113 -2.074 -2.204
81 H MET 12 HN MET 12 -12.177 -0.060 -1.033
82 HA MET 12 HA MET 12 -14.139 0.750 -0.005
83 1HB MET 12 HB2 MET 12 -14.965 0.413 -2.907
84 2HB MET 12 HB1 MET 12 -15.964 1.236 -1.708
85 1HG MET 12 HG2 MET 12 -14.587 3.062 -1.610
86 2HG MET 12 HG1 MET 12 -13.128 2.101 -1.857
87 1HE MET 12 HE2 MET 12 -16.267 3.339 -3.025
88 2HE MET 12 HE1 MET 12 -15.798 4.396 -4.355
89 3HE MET 12 HE3 MET 12 -16.418 2.772 -4.686
90 H THR 13 HN THR 13 -13.673 -1.886 0.442
91 HA THR 13 HA THR 13 -16.062 -3.470 -0.193
92 HB THR 13 HB THR 13 -13.386 -3.921 0.330
93 HG1 THR 13 HG1 THR 13 -14.855 -5.289 -0.762
94 1HG2 THR 13 HG23 THR 13 -14.961 -4.823 2.747
95 2HG2 THR 13 HG22 THR 13 -13.300 -5.278 2.373
96 3HG2 THR 13 HG21 THR 13 -13.694 -3.596 2.733
97 H CYS 14 HN CYS 14 -15.724 -0.919 1.710
98 HA CYS 14 HA CYS 14 -17.099 -0.095 3.428
99 1HB CYS 14 HB2 CYS 14 -18.373 -2.401 2.495
100 2HB CYS 14 HB1 CYS 14 -18.271 -2.644 4.239
101 HG CYS 14 HG CYS 14 -20.437 -1.194 3.523
102 H ALA 15 HN ALA 15 -15.398 0.351 4.825
103 HA ALA 15 HA ALA 15 -14.059 0.130 6.752
104 1HB ALA 15 HB1 ALA 15 -16.428 -0.245 7.546
105 2HB ALA 15 HB3 ALA 15 -16.127 -1.978 7.421
106 3HB ALA 15 HB2 ALA 15 -15.195 -1.001 8.555
107 H ALA 16 HN ALA 16 -13.141 -1.445 4.529
108 HA ALA 16 HA ALA 16 -11.552 -3.412 6.017
109 1HB ALA 16 HB2 ALA 16 -13.980 -4.137 4.563
110 2HB ALA 16 HB1 ALA 16 -12.572 -5.063 4.041
111 3HB ALA 16 HB3 ALA 16 -13.053 -5.071 5.736
112 H CYS 17 HN CYS 17 -12.390 -1.920 2.904
113 HA CYS 17 HA CYS 17 -10.417 -2.950 1.223
114 1HB CYS 17 HB2 CYS 17 -11.704 -1.481 0.075
115 2HB CYS 17 HB1 CYS 17 -12.071 -0.551 1.520
116 HG CYS 17 HG CYS 17 -9.817 0.772 1.153
117 HA PRO 18 HA PRO 18 -7.251 0.246 2.964
118 1HB PRO 18 HB2 PRO 18 -8.078 1.452 5.354
119 2HB PRO 18 HB1 PRO 18 -8.145 2.180 3.746
120 1HG PRO 18 HG2 PRO 18 -10.341 1.221 5.416
121 2HG PRO 18 HG1 PRO 18 -10.400 2.217 3.960
122 1HD PRO 18 HD2 PRO 18 -11.083 -0.561 4.200
123 2HD PRO 18 HD1 PRO 18 -11.049 0.426 2.719
124 H ILE 19 HN ILE 19 -8.900 -2.095 4.831
125 HA ILE 19 HA ILE 19 -6.868 -2.207 6.981
126 HB ILE 19 HB ILE 19 -9.434 -3.656 6.300
127 1HG1 ILE 19 HG12 ILE 19 -9.576 -1.411 7.339
128 2HG1 ILE 19 HG11 ILE 19 -10.154 -2.661 8.443
129 1HG2 ILE 19 HG22 ILE 19 -7.198 -4.534 7.999
130 2HG2 ILE 19 HG21 ILE 19 -8.748 -4.492 8.838
131 3HG2 ILE 19 HG23 ILE 19 -8.563 -5.459 7.374
132 1HD1 ILE 19 HD13 ILE 19 -7.331 -2.402 8.803
133 2HD1 ILE 19 HD12 ILE 19 -8.039 -0.788 8.862
134 3HD1 ILE 19 HD11 ILE 19 -8.614 -2.044 9.959
135 H THR 20 HN THR 20 -8.017 -4.148 4.249
136 HA THR 20 HA THR 20 -6.148 -6.317 4.598
137 HB THR 20 HB THR 20 -8.146 -5.278 2.658
138 HG1 THR 20 HG1 THR 20 -8.875 -6.845 3.934
139 1HG2 THR 20 HG21 THR 20 -6.157 -5.643 1.218
140 2HG2 THR 20 HG23 THR 20 -6.071 -7.307 1.798
141 3HG2 THR 20 HG22 THR 20 -7.465 -6.770 0.861
142 H VAL 21 HN VAL 21 -6.161 -3.208 2.939
143 HA VAL 21 HA VAL 21 -3.750 -3.658 1.421
144 HB VAL 21 HB VAL 21 -5.424 -1.288 2.283
145 1HG1 VAL 21 HG13 VAL 21 -2.905 -0.792 1.911
146 2HG1 VAL 21 HG12 VAL 21 -3.244 -1.132 0.214
147 3HG1 VAL 21 HG11 VAL 21 -4.084 0.182 1.033
148 1HG2 VAL 21 HG22 VAL 21 -5.138 -3.003 -0.158
149 2HG2 VAL 21 HG21 VAL 21 -6.602 -2.417 0.630
150 3HG2 VAL 21 HG23 VAL 21 -5.635 -1.322 -0.357
151 H LYS 22 HN LYS 22 -4.599 -2.139 4.506
152 HA LYS 22 HA LYS 22 -2.155 -1.002 5.282
153 1HB LYS 22 HB2 LYS 22 -4.547 -1.276 6.397
154 2HB LYS 22 HB1 LYS 22 -3.778 -2.643 7.204
155 1HG LYS 22 HG2 LYS 22 -2.581 0.137 7.166
156 2HG LYS 22 HG1 LYS 22 -3.629 -0.443 8.461
157 1HD LYS 22 HD2 LYS 22 -2.003 -2.458 8.593
158 2HD LYS 22 HD1 LYS 22 -0.897 -1.442 7.667
159 1HE LYS 22 HE2 LYS 22 -1.037 0.315 9.396
160 2HE LYS 22 HE1 LYS 22 -2.161 -0.692 10.330
161 1HZ LYS 22 HZ3 LYS 22 -0.430 -2.481 10.195
162 2HZ LYS 22 HZ2 LYS 22 0.649 -1.311 9.601
163 3HZ LYS 22 HZ1 LYS 22 -0.006 -1.152 11.161
164 H LYS 23 HN LYS 23 -3.235 -4.382 5.813
165 HA LYS 23 HA LYS 23 -0.638 -5.199 6.853
166 1HB LYS 23 HB2 LYS 23 -2.966 -6.843 5.829
167 2HB LYS 23 HB1 LYS 23 -1.713 -7.381 6.948
168 1HG LYS 23 HG2 LYS 23 -2.898 -4.964 7.960
169 2HG LYS 23 HG1 LYS 23 -4.175 -6.123 7.585
170 1HD LYS 23 HD2 LYS 23 -1.705 -6.792 9.206
171 2HD LYS 23 HD1 LYS 23 -3.264 -6.363 9.912
172 1HE LYS 23 HE2 LYS 23 -3.236 -8.533 7.848
173 2HE LYS 23 HE1 LYS 23 -2.633 -8.921 9.472
174 1HZ LYS 23 HZ2 LYS 23 -4.733 -7.555 10.177
175 2HZ LYS 23 HZ1 LYS 23 -5.305 -8.029 8.649
176 3HZ LYS 23 HZ3 LYS 23 -4.869 -9.204 9.791
177 H ALA 24 HN ALA 24 -2.130 -5.115 3.717
178 HA ALA 24 HA ALA 24 -0.592 -7.077 2.374
179 1HB ALA 24 HB2 ALA 24 -2.571 -5.157 1.828
180 2HB ALA 24 HB1 ALA 24 -1.238 -4.773 0.739
181 3HB ALA 24 HB3 ALA 24 -1.959 -6.382 0.718
182 H LEU 25 HN LEU 25 -0.127 -3.532 2.354
183 HA LEU 25 HA LEU 25 2.502 -3.719 1.143
184 1HB LEU 25 HB2 LEU 25 1.094 -1.456 2.581
185 2HB LEU 25 HB1 LEU 25 2.402 -1.300 1.406
186 HG LEU 25 HG LEU 25 0.597 -2.853 0.039
187 1HD1 LEU 25 HD11 LEU 25 -0.825 -1.389 2.131
188 2HD1 LEU 25 HD13 LEU 25 -1.416 -1.024 0.511
189 3HD1 LEU 25 HD12 LEU 25 -1.391 -2.692 1.084
190 1HD2 LEU 25 HD23 LEU 25 1.890 -0.732 -0.594
191 2HD2 LEU 25 HD22 LEU 25 0.295 -0.925 -1.320
192 3HD2 LEU 25 HD21 LEU 25 0.515 0.165 0.048
193 H SER 26 HN SER 26 1.309 -3.429 4.469
194 HA SER 26 HA SER 26 3.860 -2.694 5.643
195 1HB SER 26 HB2 SER 26 2.007 -2.290 7.017
196 2HB SER 26 HB1 SER 26 1.203 -3.782 6.544
197 HG SER 26 HG SER 26 3.649 -3.897 7.909
198 H LYS 27 HN LYS 27 2.489 -5.624 4.407
199 HA LYS 27 HA LYS 27 4.695 -7.183 5.676
200 1HB LYS 27 HB2 LYS 27 1.884 -7.845 4.829
201 2HB LYS 27 HB1 LYS 27 3.078 -9.122 5.025
202 1HG LYS 27 HG2 LYS 27 1.717 -8.700 7.093
203 2HG LYS 27 HG1 LYS 27 3.452 -8.506 7.335
204 1HD LYS 27 HD2 LYS 27 3.313 -6.200 7.517
205 2HD LYS 27 HD1 LYS 27 1.846 -6.108 6.540
206 1HE LYS 27 HE2 LYS 27 1.528 -5.691 9.050
207 2HE LYS 27 HE1 LYS 27 0.491 -6.951 8.353
208 1HZ LYS 27 HZ1 LYS 27 3.164 -7.535 9.491
209 2HZ LYS 27 HZ3 LYS 27 1.751 -7.595 10.428
210 3HZ LYS 27 HZ2 LYS 27 1.931 -8.637 9.098
211 H VAL 28 HN VAL 28 3.807 -5.730 2.832
212 HA VAL 28 HA VAL 28 4.106 -7.491 0.723
213 HB VAL 28 HB VAL 28 3.784 -5.006 0.649
214 1HG1 VAL 28 HG13 VAL 28 5.692 -4.584 2.288
215 2HG1 VAL 28 HG12 VAL 28 6.792 -4.860 0.938
216 3HG1 VAL 28 HG11 VAL 28 5.646 -3.521 0.881
217 1HG2 VAL 28 HG23 VAL 28 5.986 -6.252 -1.014
218 2HG2 VAL 28 HG22 VAL 28 4.280 -6.090 -1.433
219 3HG2 VAL 28 HG21 VAL 28 5.311 -4.660 -1.362
220 H GLU 29 HN GLU 29 6.778 -6.078 2.654
221 HA GLU 29 HA GLU 29 8.462 -8.293 2.757
222 1HB GLU 29 HB2 GLU 29 8.222 -7.139 0.083
223 2HB GLU 29 HB1 GLU 29 9.900 -7.218 0.625
224 1HG GLU 29 HG2 GLU 29 8.637 -9.645 1.405
225 2HG GLU 29 HG1 GLU 29 8.228 -9.358 -0.286
226 H GLY 30 HN GLY 30 9.727 -5.429 1.142
227 1HA GLY 30 HA2 GLY 30 11.501 -4.911 3.403
228 2HA GLY 30 HA1 GLY 30 11.476 -4.023 1.882
229 H VAL 31 HN VAL 31 8.338 -3.978 2.732
230 HA VAL 31 HA VAL 31 8.171 -1.244 3.365
231 HB VAL 31 HB VAL 31 6.334 -2.870 2.748
232 1HG1 VAL 31 HG11 VAL 31 7.223 -4.349 4.820
233 2HG1 VAL 31 HG13 VAL 31 5.939 -3.458 5.637
234 3HG1 VAL 31 HG12 VAL 31 5.566 -4.447 4.225
235 1HG2 VAL 31 HG23 VAL 31 6.190 -0.506 4.067
236 2HG2 VAL 31 HG22 VAL 31 4.765 -1.430 3.592
237 3HG2 VAL 31 HG21 VAL 31 5.388 -1.554 5.237
238 H SER 32 HN SER 32 8.258 -0.067 5.168
239 HA SER 32 HA SER 32 9.098 -1.435 7.692
240 1HB SER 32 HB2 SER 32 9.850 1.388 7.132
241 2HB SER 32 HB1 SER 32 10.800 0.108 7.881
242 HG SER 32 HG SER 32 11.193 0.922 5.547
243 H LYS 33 HN LYS 33 6.825 0.587 6.149
244 HA LYS 33 HA LYS 33 5.231 0.858 8.559
245 1HB LYS 33 HB2 LYS 33 6.703 2.447 9.377
246 2HB LYS 33 HB1 LYS 33 7.168 2.995 7.768
247 1HG LYS 33 HG2 LYS 33 5.323 4.393 7.562
248 2HG LYS 33 HG1 LYS 33 4.353 3.446 8.691
249 1HD LYS 33 HD2 LYS 33 4.878 5.316 9.986
250 2HD LYS 33 HD1 LYS 33 6.163 4.196 10.441
251 1HE LYS 33 HE2 LYS 33 7.721 5.648 9.674
252 2HE LYS 33 HE1 LYS 33 6.959 5.644 8.070
253 1HZ LYS 33 HZ2 LYS 33 5.275 7.184 8.942
254 2HZ LYS 33 HZ1 LYS 33 6.108 7.254 10.420
255 3HZ LYS 33 HZ3 LYS 33 6.836 7.851 9.009
256 H VAL 34 HN VAL 34 3.331 0.503 7.417
257 HA VAL 34 HA VAL 34 2.827 2.259 5.045
258 HB VAL 34 HB VAL 34 2.970 -0.352 4.960
259 1HG1 VAL 34 HG11 VAL 34 1.287 -0.460 6.932
260 2HG1 VAL 34 HG13 VAL 34 0.061 -0.099 5.717
261 3HG1 VAL 34 HG12 VAL 34 1.040 -1.559 5.576
262 1HG2 VAL 34 HG23 VAL 34 1.489 1.623 3.531
263 2HG2 VAL 34 HG22 VAL 34 2.122 0.092 2.928
264 3HG2 VAL 34 HG21 VAL 34 0.500 0.166 3.614
265 H ASP 35 HN ASP 35 0.279 2.422 4.698
266 HA ASP 35 HA ASP 35 -1.322 2.573 7.140
267 1HB ASP 35 HB2 ASP 35 0.398 4.737 6.383
268 2HB ASP 35 HB1 ASP 35 -1.274 5.258 6.165
269 H VAL 36 HN VAL 36 -3.539 3.346 6.628
270 HA VAL 36 HA VAL 36 -4.126 3.355 3.689
271 HB VAL 36 HB VAL 36 -6.166 1.993 4.378
272 1HG1 VAL 36 HG13 VAL 36 -3.504 1.233 3.885
273 2HG1 VAL 36 HG12 VAL 36 -4.025 0.236 5.243
274 3HG1 VAL 36 HG11 VAL 36 -4.936 0.216 3.733
275 1HG2 VAL 36 HG23 VAL 36 -5.315 2.718 6.933
276 2HG2 VAL 36 HG22 VAL 36 -6.528 1.495 6.558
277 3HG2 VAL 36 HG21 VAL 36 -4.847 1.023 6.801
278 H GLY 37 HN GLY 37 -6.157 4.453 3.148
279 1HA GLY 37 HA2 GLY 37 -7.373 6.118 5.276
280 2HA GLY 37 HA1 GLY 37 -6.638 6.964 3.912
281 H PHE 38 HN PHE 38 -9.493 5.593 5.028
282 HA PHE 38 HA PHE 38 -10.595 4.652 2.509
283 1HB PHE 38 HB2 PHE 38 -11.203 4.616 5.254
284 2HB PHE 38 HB1 PHE 38 -12.524 5.513 4.505
285 HD1 PHE 38 HD2 PHE 38 -12.254 4.124 1.750
286 HD2 PHE 38 HD1 PHE 38 -12.495 2.628 5.768
287 HE1 PHE 38 HE2 PHE 38 -13.210 2.005 0.903
288 HE2 PHE 38 HE1 PHE 38 -13.453 0.505 4.918
289 HZ PHE 38 HZ PHE 38 -13.831 0.194 2.489
290 H GLU 39 HN GLU 39 -10.468 7.751 4.172
291 HA GLU 39 HA GLU 39 -12.582 9.139 2.925
292 1HB GLU 39 HB2 GLU 39 -11.160 11.127 3.414
293 2HB GLU 39 HB1 GLU 39 -11.194 9.990 4.762
294 1HG GLU 39 HG2 GLU 39 -9.083 9.020 3.337
295 2HG GLU 39 HG1 GLU 39 -8.950 10.745 2.990
296 H LYS 40 HN LYS 40 -9.548 8.036 1.579
297 HA LYS 40 HA LYS 40 -10.305 9.306 -1.026
298 1HB LYS 40 HB2 LYS 40 -8.457 10.453 0.357
299 2HB LYS 40 HB1 LYS 40 -7.476 9.031 0.001
300 1HG LYS 40 HG2 LYS 40 -6.891 10.146 -1.885
301 2HG LYS 40 HG1 LYS 40 -8.479 9.662 -2.481
302 1HD LYS 40 HD2 LYS 40 -8.339 12.117 -0.789
303 2HD LYS 40 HD1 LYS 40 -7.719 12.229 -2.438
304 1HE LYS 40 HE2 LYS 40 -10.119 10.830 -2.730
305 2HE LYS 40 HE1 LYS 40 -10.489 12.086 -1.532
306 1HZ LYS 40 HZ1 LYS 40 -8.999 13.498 -3.162
307 2HZ LYS 40 HZ3 LYS 40 -9.566 12.371 -4.295
308 3HZ LYS 40 HZ2 LYS 40 -10.670 13.322 -3.420
309 H ARG 41 HN ARG 41 -10.247 6.465 0.363
310 HA ARG 41 HA ARG 41 -9.649 4.258 -0.272
311 1HB ARG 41 HB2 ARG 41 -10.926 5.798 -2.330
312 2HB ARG 41 HB1 ARG 41 -9.798 4.676 -3.090
313 1HG ARG 41 HG2 ARG 41 -11.906 3.528 -2.854
314 2HG ARG 41 HG1 ARG 41 -10.795 2.845 -1.666
315 1HD ARG 41 HD2 ARG 41 -12.772 3.221 -0.413
316 2HD ARG 41 HD1 ARG 41 -11.795 4.654 -0.054
317 HE ARG 41 HE ARG 41 -13.211 5.265 -2.402
318 1HH1 ARG 41 HH21 ARG 41 -13.911 4.349 0.856
319 2HH1 ARG 41 HH22 ARG 41 -15.432 5.176 0.897
320 1HH2 ARG 41 HH11 ARG 41 -15.193 6.341 -2.358
321 2HH2 ARG 41 HH12 ARG 41 -16.156 6.301 -0.919
322 H GLU 42 HN GLU 42 -7.321 5.463 0.340
323 HA GLU 42 HA GLU 42 -5.452 4.454 -1.748
324 1HB GLU 42 HB2 GLU 42 -4.237 6.586 -1.738
325 2HB GLU 42 HB1 GLU 42 -5.926 6.883 -2.149
326 1HG GLU 42 HG2 GLU 42 -5.766 8.462 -0.505
327 2HG GLU 42 HG1 GLU 42 -6.051 7.081 0.555
328 H ALA 43 HN ALA 43 -3.389 3.831 -0.826
329 HA ALA 43 HA ALA 43 -3.276 4.022 2.175
330 1HB ALA 43 HB2 ALA 43 -3.141 1.754 0.283
331 2HB ALA 43 HB1 ALA 43 -1.852 1.750 1.485
332 3HB ALA 43 HB3 ALA 43 -3.539 1.753 2.001
333 H VAL 44 HN VAL 44 -1.292 4.793 2.977
334 HA VAL 44 HA VAL 44 0.754 5.461 0.896
335 HB VAL 44 HB VAL 44 -0.392 7.209 2.380
336 1HG1 VAL 44 HG13 VAL 44 0.049 5.484 4.395
337 2HG1 VAL 44 HG12 VAL 44 1.512 6.458 4.544
338 3HG1 VAL 44 HG11 VAL 44 -0.072 7.225 4.655
339 1HG2 VAL 44 HG22 VAL 44 1.940 7.346 1.221
340 2HG2 VAL 44 HG21 VAL 44 1.559 8.528 2.474
341 3HG2 VAL 44 HG23 VAL 44 2.586 7.145 2.850
342 H VAL 45 HN VAL 45 2.714 4.447 0.982
343 HA VAL 45 HA VAL 45 3.279 2.810 3.414
344 HB VAL 45 HB VAL 45 4.166 2.197 0.602
345 1HG1 VAL 45 HG13 VAL 45 4.071 0.819 3.245
346 2HG1 VAL 45 HG12 VAL 45 3.797 -0.165 1.810
347 3HG1 VAL 45 HG11 VAL 45 5.298 0.742 1.981
348 1HG2 VAL 45 HG23 VAL 45 1.463 2.078 1.747
349 2HG2 VAL 45 HG22 VAL 45 1.977 1.931 0.068
350 3HG2 VAL 45 HG21 VAL 45 2.022 0.524 1.129
351 H THR 46 HN THR 46 5.391 2.556 4.020
352 HA THR 46 HA THR 46 7.457 4.348 2.819
353 HB THR 46 HB THR 46 6.569 3.864 5.664
354 HG1 THR 46 HG1 THR 46 6.631 6.060 5.718
355 1HG2 THR 46 HG21 THR 46 9.359 4.317 4.686
356 2HG2 THR 46 HG23 THR 46 8.848 5.137 6.161
357 3HG2 THR 46 HG22 THR 46 8.794 3.377 6.068
358 H PHE 47 HN PHE 47 9.545 3.217 2.673
359 HA PHE 47 HA PHE 47 9.819 0.623 3.965
360 1HB PHE 47 HB2 PHE 47 9.558 -0.710 1.930
361 2HB PHE 47 HB1 PHE 47 8.094 0.231 2.218
362 HD1 PHE 47 HD2 PHE 47 11.262 0.128 0.225
363 HD2 PHE 47 HD1 PHE 47 7.375 1.913 0.699
364 HE1 PHE 47 HE2 PHE 47 11.502 1.226 -1.970
365 HE2 PHE 47 HE1 PHE 47 7.617 3.012 -1.509
366 HZ PHE 47 HZ PHE 47 9.671 2.669 -2.844
367 H ASP 48 HN ASP 48 11.552 -0.693 2.726
368 HA ASP 48 HA ASP 48 13.795 1.187 2.109
369 1HB ASP 48 HB2 ASP 48 13.667 -1.670 3.131
370 2HB ASP 48 HB1 ASP 48 15.175 -0.852 2.724
371 H ASP 49 HN ASP 49 14.239 1.302 -0.037
372 HA ASP 49 HA ASP 49 12.974 -0.353 -1.987
373 1HB ASP 49 HB2 ASP 49 13.648 1.813 -2.607
374 2HB ASP 49 HB1 ASP 49 15.268 1.597 -1.946
375 H THR 50 HN THR 50 15.487 -1.201 0.062
376 HA THR 50 HA THR 50 17.131 -2.745 -1.779
377 HB THR 50 HB THR 50 18.098 -3.561 0.374
378 HG1 THR 50 HG1 THR 50 16.932 -3.440 2.100
379 1HG2 THR 50 HG23 THR 50 18.791 -1.386 -0.596
380 2HG2 THR 50 HG22 THR 50 17.523 -0.585 0.332
381 3HG2 THR 50 HG21 THR 50 18.863 -1.372 1.166
382 H LYS 51 HN LYS 51 14.183 -3.337 0.024
383 HA LYS 51 HA LYS 51 14.260 -6.192 -0.899
384 1HB LYS 51 HB2 LYS 51 13.673 -4.934 1.758
385 2HB LYS 51 HB1 LYS 51 12.841 -6.429 1.327
386 1HG LYS 51 HG2 LYS 51 15.215 -7.286 0.677
387 2HG LYS 51 HG1 LYS 51 15.793 -5.950 1.672
388 1HD LYS 51 HD2 LYS 51 14.145 -6.860 3.463
389 2HD LYS 51 HD1 LYS 51 14.154 -8.338 2.499
390 1HE LYS 51 HE2 LYS 51 16.842 -7.775 2.656
391 2HE LYS 51 HE1 LYS 51 16.260 -7.243 4.246
392 1HZ LYS 51 HZ2 LYS 51 15.036 -9.344 4.430
393 2HZ LYS 51 HZ1 LYS 51 15.706 -9.863 2.958
394 3HZ LYS 51 HZ3 LYS 51 16.710 -9.602 4.300
395 H ALA 52 HN ALA 52 12.707 -3.280 -1.219
396 HA ALA 52 HA ALA 52 10.315 -4.546 -2.378
397 1HB ALA 52 HB1 ALA 52 10.418 -3.353 0.303
398 2HB ALA 52 HB3 ALA 52 9.155 -2.658 -0.713
399 3HB ALA 52 HB2 ALA 52 9.187 -4.395 -0.411
400 H SER 53 HN SER 53 8.719 -2.323 -2.654
401 HA SER 53 HA SER 53 10.021 0.134 -3.275
402 1HB SER 53 HB2 SER 53 11.335 -1.042 -4.869
403 2HB SER 53 HB1 SER 53 9.964 -2.011 -5.402
404 HG SER 53 HG SER 53 10.511 -0.278 -6.841
405 H VAL 54 HN VAL 54 8.583 1.573 -4.523
406 HA VAL 54 HA VAL 54 5.906 1.564 -3.881
407 HB VAL 54 HB VAL 54 7.353 3.282 -5.118
408 1HG1 VAL 54 HG11 VAL 54 6.352 1.663 -7.484
409 2HG1 VAL 54 HG13 VAL 54 7.177 3.218 -7.587
410 3HG1 VAL 54 HG12 VAL 54 8.033 1.804 -6.973
411 1HG2 VAL 54 HG23 VAL 54 4.566 2.840 -5.025
412 2HG2 VAL 54 HG22 VAL 54 5.391 4.375 -5.284
413 3HG2 VAL 54 HG21 VAL 54 4.916 3.385 -6.665
414 H GLN 55 HN GLN 55 7.410 -0.117 -6.625
415 HA GLN 55 HA GLN 55 5.088 -0.982 -7.994
416 1HB GLN 55 HB2 GLN 55 7.511 -1.154 -8.670
417 2HB GLN 55 HB1 GLN 55 7.684 -2.486 -7.528
418 1HG GLN 55 HG2 GLN 55 5.403 -3.107 -9.053
419 2HG GLN 55 HG1 GLN 55 6.599 -2.520 -10.211
420 1HE2 GLN 55 HE22 GLN 55 7.197 -6.182 -9.629
421 2HE2 GLN 55 HE21 GLN 55 5.870 -5.276 -10.176
422 H LYS 56 HN LYS 56 6.908 -2.633 -5.386
423 HA LYS 56 HA LYS 56 5.069 -4.845 -5.169
424 1HB LYS 56 HB2 LYS 56 7.591 -4.202 -4.292
425 2HB LYS 56 HB1 LYS 56 6.656 -4.074 -2.801
426 1HG LYS 56 HG2 LYS 56 7.497 -6.371 -3.097
427 2HG LYS 56 HG1 LYS 56 5.736 -6.338 -3.190
428 1HD LYS 56 HD2 LYS 56 5.795 -7.191 -5.270
429 2HD LYS 56 HD1 LYS 56 6.830 -5.868 -5.809
430 1HE LYS 56 HE2 LYS 56 8.827 -7.064 -5.068
431 2HE LYS 56 HE1 LYS 56 7.827 -8.364 -4.389
432 1HZ LYS 56 HZ3 LYS 56 7.398 -7.555 -7.178
433 2HZ LYS 56 HZ2 LYS 56 8.736 -8.540 -6.821
434 3HZ LYS 56 HZ1 LYS 56 7.164 -9.068 -6.449
435 H LEU 57 HN LEU 57 5.074 -1.593 -3.814
436 HA LEU 57 HA LEU 57 3.312 -2.139 -1.583
437 1HB LEU 57 HB2 LEU 57 3.685 0.380 -3.233
438 2HB LEU 57 HB1 LEU 57 3.079 0.294 -1.582
439 HG LEU 57 HG LEU 57 5.864 -0.522 -2.476
440 1HD1 LEU 57 HD11 LEU 57 4.734 2.010 -2.001
441 2HD1 LEU 57 HD13 LEU 57 5.638 1.622 -0.537
442 3HD1 LEU 57 HD12 LEU 57 6.450 1.620 -2.103
443 1HD2 LEU 57 HD21 LEU 57 4.358 -0.671 0.122
444 2HD2 LEU 57 HD23 LEU 57 5.486 -1.833 -0.577
445 3HD2 LEU 57 HD22 LEU 57 6.091 -0.348 0.158
446 H THR 58 HN THR 58 2.714 -0.634 -4.770
447 HA THR 58 HA THR 58 -0.133 -0.643 -4.637
448 HB THR 58 HB THR 58 1.907 -0.724 -6.878
449 HG1 THR 58 HG1 THR 58 1.970 1.286 -6.332
450 1HG2 THR 58 HG21 THR 58 -1.096 -0.655 -6.980
451 2HG2 THR 58 HG23 THR 58 -0.150 0.167 -8.220
452 3HG2 THR 58 HG22 THR 58 0.027 -1.573 -7.984
453 H LYS 59 HN LYS 59 2.225 -3.112 -5.509
454 HA LYS 59 HA LYS 59 0.301 -4.953 -6.632
455 1HB LYS 59 HB2 LYS 59 2.950 -4.630 -6.834
456 2HB LYS 59 HB1 LYS 59 2.939 -5.801 -5.516
457 1HG LYS 59 HG2 LYS 59 1.345 -7.186 -6.992
458 2HG LYS 59 HG1 LYS 59 1.845 -6.126 -8.311
459 1HD LYS 59 HD2 LYS 59 4.221 -6.703 -7.833
460 2HD LYS 59 HD1 LYS 59 3.670 -7.835 -6.598
461 1HE LYS 59 HE2 LYS 59 2.256 -8.930 -8.450
462 2HE LYS 59 HE1 LYS 59 3.243 -7.993 -9.590
463 1HZ LYS 59 HZ3 LYS 59 5.122 -8.903 -7.948
464 2HZ LYS 59 HZ2 LYS 59 4.016 -10.189 -7.842
465 3HZ LYS 59 HZ1 LYS 59 4.647 -9.730 -9.351
466 H ALA 60 HN ALA 60 1.477 -4.181 -3.447
467 HA ALA 60 HA ALA 60 0.764 -6.668 -2.188
468 1HB ALA 60 HB1 ALA 60 1.746 -3.983 -1.486
469 2HB ALA 60 HB3 ALA 60 0.733 -4.712 -0.239
470 3HB ALA 60 HB2 ALA 60 2.184 -5.546 -0.796
471 H THR 61 HN THR 61 -0.810 -3.476 -2.464
472 HA THR 61 HA THR 61 -3.229 -4.330 -1.090
473 HB THR 61 HB THR 61 -2.465 -1.974 -1.233
474 HG1 THR 61 HG1 THR 61 -4.765 -2.018 -2.812
475 1HG2 THR 61 HG21 THR 61 -2.951 -2.372 -4.195
476 2HG2 THR 61 HG23 THR 61 -2.682 -0.805 -3.435
477 3HG2 THR 61 HG22 THR 61 -1.408 -2.022 -3.416
478 H ALA 62 HN ALA 62 -2.031 -4.153 -4.332
479 HA ALA 62 HA ALA 62 -4.445 -4.736 -5.768
480 1HB ALA 62 HB1 ALA 62 -2.347 -3.846 -6.748
481 2HB ALA 62 HB3 ALA 62 -1.536 -5.368 -6.378
482 3HB ALA 62 HB2 ALA 62 -2.840 -5.329 -7.564
483 H ASP 63 HN ASP 63 -2.039 -6.718 -4.118
484 HA ASP 63 HA ASP 63 -3.301 -9.226 -5.055
485 1HB ASP 63 HB2 ASP 63 -0.826 -8.355 -3.619
486 2HB ASP 63 HB1 ASP 63 -1.395 -10.001 -3.333
487 H ALA 64 HN ALA 64 -3.690 -6.964 -2.561
488 HA ALA 64 HA ALA 64 -4.489 -8.817 -0.441
489 1HB ALA 64 HB1 ALA 64 -3.656 -6.219 -0.582
490 2HB ALA 64 HB3 ALA 64 -5.400 -5.988 -0.465
491 3HB ALA 64 HB2 ALA 64 -4.541 -6.875 0.795
492 H GLY 65 HN GLY 65 -5.917 -7.193 -3.164
493 1HA GLY 65 HA2 GLY 65 -8.056 -8.533 -3.831
494 2HA GLY 65 HA1 GLY 65 -8.638 -8.008 -2.256
495 H TYR 66 HN TYR 66 -6.666 -5.667 -3.872
496 HA TYR 66 HA TYR 66 -9.099 -4.334 -4.979
497 1HB TYR 66 HB2 TYR 66 -7.003 -2.983 -3.267
498 2HB TYR 66 HB1 TYR 66 -8.563 -2.334 -3.763
499 HD1 TYR 66 HD1 TYR 66 -10.596 -3.987 -3.140
500 HD2 TYR 66 HD2 TYR 66 -6.823 -3.718 -1.131
501 HE1 TYR 66 HE1 TYR 66 -11.630 -4.896 -1.092
502 HE2 TYR 66 HE2 TYR 66 -7.843 -4.610 0.918
503 HH TYR 66 HH TYR 66 -10.374 -6.292 1.140
504 HA PRO 67 HA PRO 67 -5.942 -4.020 -8.254
505 1HB PRO 67 HB2 PRO 67 -7.966 -2.486 -9.672
506 2HB PRO 67 HB1 PRO 67 -7.340 -4.092 -10.061
507 1HG PRO 67 HG2 PRO 67 -9.909 -3.447 -8.994
508 2HG PRO 67 HG1 PRO 67 -9.244 -5.054 -9.299
509 1HD PRO 67 HD2 PRO 67 -9.736 -3.805 -6.746
510 2HD PRO 67 HD1 PRO 67 -9.038 -5.415 -7.056
511 H SER 68 HN SER 68 -4.590 -2.495 -7.171
512 HA SER 68 HA SER 68 -5.644 0.283 -6.906
513 1HB SER 68 HB2 SER 68 -4.211 0.437 -5.054
514 2HB SER 68 HB1 SER 68 -4.698 -1.256 -5.021
515 HG SER 68 HG SER 68 -2.768 -1.725 -6.173
516 H SER 69 HN SER 69 -3.469 1.763 -6.713
517 HA SER 69 HA SER 69 -1.630 1.351 -8.993
518 1HB SER 69 HB2 SER 69 -3.917 2.540 -9.581
519 2HB SER 69 HB1 SER 69 -3.192 3.916 -8.753
520 HG SER 69 HG SER 69 -2.834 3.352 -11.202
521 H VAL 70 HN VAL 70 -0.579 3.966 -8.922
522 HA VAL 70 HA VAL 70 0.058 4.397 -6.054
523 HB VAL 70 HB VAL 70 1.527 2.780 -7.376
524 1HG1 VAL 70 HG13 VAL 70 1.542 4.552 -9.327
525 2HG1 VAL 70 HG12 VAL 70 2.881 5.251 -8.416
526 3HG1 VAL 70 HG11 VAL 70 2.986 3.592 -9.005
527 1HG2 VAL 70 HG21 VAL 70 2.129 4.803 -5.437
528 2HG2 VAL 70 HG23 VAL 70 2.888 3.225 -5.636
529 3HG2 VAL 70 HG22 VAL 70 3.522 4.625 -6.501
530 H LYS 71 HN LYS 71 1.200 6.451 -5.646
531 HA LYS 71 HA LYS 71 0.716 8.467 -7.816
532 1HB LYS 71 HB2 LYS 71 0.608 9.322 -4.970
533 2HB LYS 71 HB1 LYS 71 -0.382 9.846 -6.326
534 1HG LYS 71 HG2 LYS 71 -1.142 7.214 -6.059
535 2HG LYS 71 HG1 LYS 71 -0.861 7.689 -4.384
536 1HD LYS 71 HD2 LYS 71 -2.214 9.828 -5.694
537 2HD LYS 71 HD1 LYS 71 -3.078 8.334 -6.056
538 1HE LYS 71 HE2 LYS 71 -2.869 7.835 -3.509
539 2HE LYS 71 HE1 LYS 71 -2.513 9.566 -3.356
540 1HZ LYS 71 HZ3 LYS 71 -4.802 8.592 -4.955
541 2HZ LYS 71 HZ2 LYS 71 -4.952 8.875 -3.287
542 3HZ LYS 71 HZ1 LYS 71 -4.536 10.148 -4.334
543 H GLN 72 HN GLN 72 3.023 6.890 -6.878
544 HA GLN 72 HA GLN 72 4.954 8.362 -5.440
545 1HB GLN 72 HB2 GLN 72 5.219 6.038 -6.107
546 2HB GLN 72 HB1 GLN 72 5.196 6.487 -7.812
547 1HG GLN 72 HG2 GLN 72 7.195 8.094 -6.730
548 2HG GLN 72 HG1 GLN 72 7.413 6.543 -5.918
549 1HE2 GLN 72 HE22 GLN 72 9.008 6.758 -9.450
550 2HE2 GLN 72 HE21 GLN 72 8.897 7.973 -8.271
No H/Q in entry = 550
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 16.869 2.410 1.778
2 2H ALA 1 HT3 ALA 1 16.865 2.347 0.083
3 3H ALA 1 HT2 ALA 1 18.177 3.050 0.902
4 HA ALA 1 HA ALA 1 17.147 5.021 1.156
5 1HB ALA 1 HB1 ALA 1 16.738 3.901 -1.239
6 2HB ALA 1 HB3 ALA 1 15.052 4.035 -0.739
7 3HB ALA 1 HB2 ALA 1 16.058 5.479 -0.840
8 H THR 2 HN THR 2 14.686 6.036 1.191
9 HA THR 2 HA THR 2 12.865 4.408 2.814
10 HB THR 2 HB THR 2 12.970 6.838 4.115
11 HG1 THR 2 HG1 THR 2 15.104 7.325 4.384
12 1HG2 THR 2 HG21 THR 2 14.022 4.101 4.618
13 2HG2 THR 2 HG23 THR 2 14.530 5.381 5.719
14 3HG2 THR 2 HG22 THR 2 12.815 5.022 5.516
15 H GLN 3 HN GLN 3 11.503 4.651 0.966
16 HA GLN 3 HA GLN 3 10.770 7.462 0.228
17 1HB GLN 3 HB2 GLN 3 10.407 4.805 -1.182
18 2HB GLN 3 HB1 GLN 3 9.961 6.374 -1.855
19 1HG GLN 3 HG2 GLN 3 12.503 6.921 -1.159
20 2HG GLN 3 HG1 GLN 3 12.661 5.188 -1.442
21 1HE2 GLN 3 HE22 GLN 3 13.250 6.610 -4.760
22 2HE2 GLN 3 HE21 GLN 3 14.070 6.397 -3.288
23 H THR 4 HN THR 4 8.509 7.895 -0.302
24 HA THR 4 HA THR 4 6.509 6.169 1.099
25 HB THR 4 HB THR 4 7.059 7.880 2.676
26 HG1 THR 4 HG1 THR 4 4.888 8.890 1.159
27 1HG2 THR 4 HG22 THR 4 6.959 9.778 0.316
28 2HG2 THR 4 HG21 THR 4 7.148 10.286 1.995
29 3HG2 THR 4 HG23 THR 4 8.393 9.302 1.227
30 H VAL 5 HN VAL 5 4.979 5.682 -0.435
31 HA VAL 5 HA VAL 5 4.275 7.738 -2.506
32 HB VAL 5 HB VAL 5 3.853 5.570 -3.829
33 1HG1 VAL 5 HG11 VAL 5 6.610 6.489 -3.009
34 2HG1 VAL 5 HG13 VAL 5 6.333 5.358 -4.330
35 3HG1 VAL 5 HG12 VAL 5 5.689 6.996 -4.424
36 1HG2 VAL 5 HG23 VAL 5 4.240 4.306 -1.501
37 2HG2 VAL 5 HG22 VAL 5 4.635 3.554 -3.047
38 3HG2 VAL 5 HG21 VAL 5 5.905 4.308 -2.084
39 H THR 6 HN THR 6 2.046 7.237 -3.412
40 HA THR 6 HA THR 6 0.232 6.379 -1.209
41 HB THR 6 HB THR 6 -1.334 7.643 -2.980
42 HG1 THR 6 HG1 THR 6 0.232 9.447 -3.650
43 1HG2 THR 6 HG23 THR 6 0.566 8.840 -0.967
44 2HG2 THR 6 HG22 THR 6 -0.648 9.815 -1.794
45 3HG2 THR 6 HG21 THR 6 -1.147 8.474 -0.761
46 H LEU 7 HN LEU 7 -1.658 5.040 -2.024
47 HA LEU 7 HA LEU 7 -0.977 3.625 -4.563
48 1HB LEU 7 HB2 LEU 7 -0.869 2.721 -1.813
49 2HB LEU 7 HB1 LEU 7 -2.032 1.755 -2.724
50 HG LEU 7 HG LEU 7 -0.387 1.179 -4.371
51 1HD1 LEU 7 HD11 LEU 7 1.226 3.330 -3.036
52 2HD1 LEU 7 HD13 LEU 7 2.013 2.061 -3.971
53 3HD1 LEU 7 HD12 LEU 7 0.851 3.129 -4.741
54 1HD2 LEU 7 HD21 LEU 7 -0.242 0.233 -1.884
55 2HD2 LEU 7 HD23 LEU 7 0.953 -0.217 -3.099
56 3HD2 LEU 7 HD22 LEU 7 1.324 1.043 -1.925
57 H ALA 8 HN ALA 8 -2.802 2.594 -5.545
58 HA ALA 8 HA ALA 8 -5.412 3.846 -4.751
59 1HB ALA 8 HB2 ALA 8 -4.332 2.762 -7.372
60 2HB ALA 8 HB1 ALA 8 -5.951 3.431 -7.167
61 3HB ALA 8 HB3 ALA 8 -4.537 4.462 -6.947
62 H VAL 9 HN VAL 9 -6.562 2.351 -3.538
63 HA VAL 9 HA VAL 9 -6.596 -0.486 -4.514
64 HB VAL 9 HB VAL 9 -5.624 -0.512 -2.373
65 1HG1 VAL 9 HG13 VAL 9 -7.600 1.660 -1.610
66 2HG1 VAL 9 HG12 VAL 9 -6.466 0.907 -0.489
67 3HG1 VAL 9 HG11 VAL 9 -5.863 1.854 -1.849
68 1HG2 VAL 9 HG23 VAL 9 -8.616 -0.704 -1.913
69 2HG2 VAL 9 HG22 VAL 9 -7.541 -2.024 -2.371
70 3HG2 VAL 9 HG21 VAL 9 -7.394 -1.276 -0.783
71 HA PRO 10 HA PRO 10 -10.859 0.968 -5.229
72 1HB PRO 10 HB2 PRO 10 -11.271 -1.136 -7.058
73 2HB PRO 10 HB1 PRO 10 -10.805 0.522 -7.450
74 1HG PRO 10 HG2 PRO 10 -9.208 -1.885 -7.642
75 2HG PRO 10 HG1 PRO 10 -8.795 -0.248 -8.160
76 1HD PRO 10 HD2 PRO 10 -7.823 -1.690 -5.839
77 2HD PRO 10 HD1 PRO 10 -7.352 -0.068 -6.406
78 H GLY 11 HN GLY 11 -10.057 -0.999 -3.022
79 1HA GLY 11 HA2 GLY 11 -11.907 -3.227 -3.237
80 2HA GLY 11 HA1 GLY 11 -11.042 -2.739 -1.777
81 H MET 12 HN MET 12 -11.863 -0.600 -0.817
82 HA MET 12 HA MET 12 -13.663 0.458 0.292
83 1HB MET 12 HB2 MET 12 -13.738 0.809 -2.490
84 2HB MET 12 HB1 MET 12 -15.397 0.404 -2.057
85 1HG MET 12 HG2 MET 12 -14.449 2.213 -0.083
86 2HG MET 12 HG1 MET 12 -14.007 2.885 -1.652
87 1HE MET 12 HE3 MET 12 -15.200 4.601 -0.559
88 2HE MET 12 HE2 MET 12 -16.355 5.064 -1.806
89 3HE MET 12 HE1 MET 12 -16.926 4.685 -0.183
90 H THR 13 HN THR 13 -13.595 -2.495 0.196
91 HA THR 13 HA THR 13 -16.187 -3.606 -0.234
92 HB THR 13 HB THR 13 -13.654 -4.437 0.451
93 HG1 THR 13 HG1 THR 13 -14.514 -6.297 -0.041
94 1HG2 THR 13 HG21 THR 13 -15.435 -4.766 2.868
95 2HG2 THR 13 HG23 THR 13 -13.983 -5.725 2.588
96 3HG2 THR 13 HG22 THR 13 -13.859 -3.977 2.792
97 H CYS 14 HN CYS 14 -15.104 -1.335 2.044
98 HA CYS 14 HA CYS 14 -16.464 -0.127 3.579
99 1HB CYS 14 HB2 CYS 14 -18.335 -1.573 2.416
100 2HB CYS 14 HB1 CYS 14 -18.243 -2.517 3.903
101 HG CYS 14 HG CYS 14 -18.506 0.115 4.981
102 H ALA 15 HN ALA 15 -14.854 -0.167 5.125
103 HA ALA 15 HA ALA 15 -14.004 -0.670 7.272
104 1HB ALA 15 HB3 ALA 15 -16.623 -1.627 7.177
105 2HB ALA 15 HB2 ALA 15 -15.688 -3.004 7.761
106 3HB ALA 15 HB1 ALA 15 -15.630 -1.468 8.626
107 H ALA 16 HN ALA 16 -13.116 -2.088 4.702
108 HA ALA 16 HA ALA 16 -11.538 -4.172 6.117
109 1HB ALA 16 HB2 ALA 16 -13.871 -4.746 4.646
110 2HB ALA 16 HB1 ALA 16 -12.524 -5.228 3.613
111 3HB ALA 16 HB3 ALA 16 -12.678 -5.903 5.235
112 H CYS 17 HN CYS 17 -12.226 -2.626 2.949
113 HA CYS 17 HA CYS 17 -9.920 -3.261 1.532
114 1HB CYS 17 HB2 CYS 17 -11.394 -1.965 0.354
115 2HB CYS 17 HB1 CYS 17 -11.771 -0.939 1.729
116 HG CYS 17 HG CYS 17 -9.146 -0.015 1.200
117 HA PRO 18 HA PRO 18 -7.472 0.347 3.644
118 1HB PRO 18 HB2 PRO 18 -8.607 1.070 6.123
119 2HB PRO 18 HB1 PRO 18 -8.664 1.997 4.621
120 1HG PRO 18 HG2 PRO 18 -10.809 0.546 5.950
121 2HG PRO 18 HG1 PRO 18 -10.907 1.671 4.592
122 1HD PRO 18 HD2 PRO 18 -11.180 -1.177 4.515
123 2HD PRO 18 HD1 PRO 18 -11.167 -0.055 3.136
124 H ILE 19 HN ILE 19 -8.874 -2.255 5.571
125 HA ILE 19 HA ILE 19 -6.604 -2.232 7.479
126 HB ILE 19 HB ILE 19 -9.144 -3.826 7.094
127 1HG1 ILE 19 HG12 ILE 19 -8.177 -2.083 9.384
128 2HG1 ILE 19 HG11 ILE 19 -9.239 -1.521 8.092
129 1HG2 ILE 19 HG21 ILE 19 -6.794 -4.338 8.903
130 2HG2 ILE 19 HG23 ILE 19 -8.423 -4.773 9.423
131 3HG2 ILE 19 HG22 ILE 19 -7.742 -5.491 7.962
132 1HD1 ILE 19 HD12 ILE 19 -10.417 -3.899 8.978
133 2HD1 ILE 19 HD11 ILE 19 -9.892 -3.091 10.455
134 3HD1 ILE 19 HD13 ILE 19 -10.972 -2.263 9.332
135 H THR 20 HN THR 20 -7.785 -3.972 4.722
136 HA THR 20 HA THR 20 -5.996 -6.242 4.927
137 HB THR 20 HB THR 20 -7.981 -5.037 3.026
138 HG1 THR 20 HG1 THR 20 -9.152 -6.502 3.935
139 1HG2 THR 20 HG22 THR 20 -5.981 -7.194 2.416
140 2HG2 THR 20 HG21 THR 20 -7.548 -7.139 1.606
141 3HG2 THR 20 HG23 THR 20 -6.423 -5.791 1.442
142 H VAL 21 HN VAL 21 -6.142 -3.213 3.057
143 HA VAL 21 HA VAL 21 -3.786 -3.752 1.499
144 HB VAL 21 HB VAL 21 -5.347 -1.272 2.262
145 1HG1 VAL 21 HG12 VAL 21 -2.995 -1.602 0.384
146 2HG1 VAL 21 HG11 VAL 21 -4.106 -0.235 0.299
147 3HG1 VAL 21 HG13 VAL 21 -3.135 -0.494 1.749
148 1HG2 VAL 21 HG22 VAL 21 -5.521 -3.354 0.198
149 2HG2 VAL 21 HG21 VAL 21 -6.745 -2.205 0.740
150 3HG2 VAL 21 HG23 VAL 21 -5.550 -1.718 -0.461
151 H LYS 22 HN LYS 22 -4.405 -1.649 4.316
152 HA LYS 22 HA LYS 22 -1.800 -0.716 4.781
153 1HB LYS 22 HB2 LYS 22 -4.013 -0.185 5.952
154 2HB LYS 22 HB1 LYS 22 -3.732 -1.629 6.926
155 1HG LYS 22 HG2 LYS 22 -1.329 -0.038 6.847
156 2HG LYS 22 HG1 LYS 22 -2.685 0.965 7.361
157 1HD LYS 22 HD2 LYS 22 -3.189 -1.259 8.818
158 2HD LYS 22 HD1 LYS 22 -1.431 -1.359 8.719
159 1HE LYS 22 HE2 LYS 22 -2.007 1.357 9.259
160 2HE LYS 22 HE1 LYS 22 -3.034 0.407 10.351
161 1HZ LYS 22 HZ1 LYS 22 -0.987 -1.011 10.722
162 2HZ LYS 22 HZ3 LYS 22 -0.098 0.237 9.993
163 3HZ LYS 22 HZ2 LYS 22 -0.964 0.536 11.424
164 H LYS 23 HN LYS 23 -3.277 -3.782 5.865
165 HA LYS 23 HA LYS 23 -0.929 -4.696 7.280
166 1HB LYS 23 HB2 LYS 23 -3.499 -5.865 6.252
167 2HB LYS 23 HB1 LYS 23 -2.273 -6.920 6.958
168 1HG LYS 23 HG2 LYS 23 -2.291 -5.102 8.886
169 2HG LYS 23 HG1 LYS 23 -3.909 -4.778 8.261
170 1HD LYS 23 HD2 LYS 23 -4.242 -6.444 9.914
171 2HD LYS 23 HD1 LYS 23 -4.272 -7.325 8.386
172 1HE LYS 23 HE2 LYS 23 -1.717 -7.651 8.762
173 2HE LYS 23 HE1 LYS 23 -2.072 -7.223 10.449
174 1HZ LYS 23 HZ1 LYS 23 -3.975 -8.865 10.249
175 2HZ LYS 23 HZ3 LYS 23 -3.216 -9.432 8.843
176 3HZ LYS 23 HZ2 LYS 23 -2.412 -9.526 10.337
177 H ALA 24 HN ALA 24 -1.979 -4.878 3.970
178 HA ALA 24 HA ALA 24 -0.315 -7.046 3.122
179 1HB ALA 24 HB3 ALA 24 -2.340 -5.428 2.118
180 2HB ALA 24 HB2 ALA 24 -0.943 -5.006 1.129
181 3HB ALA 24 HB1 ALA 24 -1.488 -6.681 1.217
182 H LEU 25 HN LEU 25 -0.005 -3.555 2.395
183 HA LEU 25 HA LEU 25 2.644 -3.666 1.380
184 1HB LEU 25 HB2 LEU 25 1.154 -1.474 2.852
185 2HB LEU 25 HB1 LEU 25 2.526 -1.234 1.765
186 HG LEU 25 HG LEU 25 0.824 -2.799 0.264
187 1HD1 LEU 25 HD12 LEU 25 -0.720 -1.439 2.304
188 2HD1 LEU 25 HD11 LEU 25 -1.186 -0.906 0.688
189 3HD1 LEU 25 HD13 LEU 25 -1.246 -2.620 1.105
190 1HD2 LEU 25 HD22 LEU 25 2.052 -0.297 0.181
191 2HD2 LEU 25 HD21 LEU 25 1.210 -1.094 -1.143
192 3HD2 LEU 25 HD23 LEU 25 0.345 0.044 -0.112
193 H SER 26 HN SER 26 1.440 -3.307 4.683
194 HA SER 26 HA SER 26 4.017 -2.667 5.861
195 1HB SER 26 HB2 SER 26 2.166 -2.037 7.144
196 2HB SER 26 HB1 SER 26 1.277 -3.510 6.767
197 HG SER 26 HG SER 26 2.495 -3.100 8.944
198 H LYS 27 HN LYS 27 2.401 -5.611 4.877
199 HA LYS 27 HA LYS 27 4.215 -7.288 6.471
200 1HB LYS 27 HB2 LYS 27 2.168 -8.329 6.438
201 2HB LYS 27 HB1 LYS 27 1.700 -7.539 4.937
202 1HG LYS 27 HG2 LYS 27 3.814 -9.667 4.880
203 2HG LYS 27 HG1 LYS 27 2.112 -10.128 4.949
204 1HD LYS 27 HD2 LYS 27 2.571 -8.002 3.013
205 2HD LYS 27 HD1 LYS 27 3.536 -9.432 2.649
206 1HE LYS 27 HE2 LYS 27 0.550 -9.504 3.214
207 2HE LYS 27 HE1 LYS 27 1.264 -9.525 1.589
208 1HZ LYS 27 HZ1 LYS 27 2.737 -11.381 2.705
209 2HZ LYS 27 HZ3 LYS 27 1.365 -11.565 3.685
210 3HZ LYS 27 HZ2 LYS 27 1.235 -11.750 2.002
211 H VAL 28 HN VAL 28 4.197 -5.759 3.459
212 HA VAL 28 HA VAL 28 5.300 -7.448 1.573
213 HB VAL 28 HB VAL 28 5.717 -4.598 2.399
214 1HG1 VAL 28 HG12 VAL 28 7.611 -6.168 0.751
215 2HG1 VAL 28 HG11 VAL 28 7.064 -4.658 0.023
216 3HG1 VAL 28 HG13 VAL 28 7.854 -4.642 1.600
217 1HG2 VAL 28 HG23 VAL 28 4.732 -6.035 -0.080
218 2HG2 VAL 28 HG22 VAL 28 3.762 -5.143 1.091
219 3HG2 VAL 28 HG21 VAL 28 4.882 -4.282 0.035
220 H GLU 29 HN GLU 29 7.612 -5.397 3.297
221 HA GLU 29 HA GLU 29 9.112 -7.440 4.615
222 1HB GLU 29 HB2 GLU 29 9.358 -7.220 1.709
223 2HB GLU 29 HB1 GLU 29 10.915 -7.046 2.520
224 1HG GLU 29 HG2 GLU 29 9.808 -9.138 3.904
225 2HG GLU 29 HG1 GLU 29 9.178 -9.413 2.280
226 H GLY 30 HN GLY 30 10.216 -4.897 2.360
227 1HA GLY 30 HA2 GLY 30 11.912 -3.720 4.419
228 2HA GLY 30 HA1 GLY 30 11.691 -3.102 2.780
229 H VAL 31 HN VAL 31 8.635 -3.409 3.521
230 HA VAL 31 HA VAL 31 7.976 -0.710 3.870
231 HB VAL 31 HB VAL 31 6.458 -2.640 3.361
232 1HG1 VAL 31 HG12 VAL 31 7.518 -3.917 5.419
233 2HG1 VAL 31 HG11 VAL 31 6.235 -3.106 6.317
234 3HG1 VAL 31 HG13 VAL 31 5.830 -4.188 4.985
235 1HG2 VAL 31 HG23 VAL 31 5.849 -0.276 4.469
236 2HG2 VAL 31 HG22 VAL 31 4.619 -1.499 4.157
237 3HG2 VAL 31 HG21 VAL 31 5.297 -1.324 5.776
238 H SER 32 HN SER 32 7.857 0.660 5.524
239 HA SER 32 HA SER 32 8.572 -0.353 8.251
240 1HB SER 32 HB2 SER 32 9.412 2.285 7.033
241 2HB SER 32 HB1 SER 32 10.042 1.530 8.494
242 HG SER 32 HG SER 32 11.456 0.686 7.189
243 H LYS 33 HN LYS 33 6.309 1.277 6.338
244 HA LYS 33 HA LYS 33 4.691 1.970 8.657
245 1HB LYS 33 HB2 LYS 33 6.183 3.740 9.018
246 2HB LYS 33 HB1 LYS 33 6.404 4.029 7.294
247 1HG LYS 33 HG2 LYS 33 4.703 5.503 7.255
248 2HG LYS 33 HG1 LYS 33 3.620 4.351 8.040
249 1HD LYS 33 HD2 LYS 33 3.717 5.649 9.881
250 2HD LYS 33 HD1 LYS 33 5.400 5.150 10.055
251 1HE LYS 33 HE2 LYS 33 6.196 7.164 9.321
252 2HE LYS 33 HE1 LYS 33 4.947 7.302 8.067
253 1HZ LYS 33 HZ2 LYS 33 3.315 7.764 9.799
254 2HZ LYS 33 HZ1 LYS 33 4.528 7.678 10.986
255 3HZ LYS 33 HZ3 LYS 33 4.564 8.916 9.828
256 H VAL 34 HN VAL 34 2.878 1.171 7.629
257 HA VAL 34 HA VAL 34 2.136 2.346 4.971
258 HB VAL 34 HB VAL 34 1.387 -0.228 6.393
259 1HG1 VAL 34 HG11 VAL 34 0.459 0.889 3.729
260 2HG1 VAL 34 HG13 VAL 34 0.170 -0.762 4.279
261 3HG1 VAL 34 HG12 VAL 34 -0.545 0.595 5.149
262 1HG2 VAL 34 HG21 VAL 34 3.562 0.485 4.739
263 2HG2 VAL 34 HG23 VAL 34 3.090 -1.140 5.232
264 3HG2 VAL 34 HG22 VAL 34 2.475 -0.463 3.724
265 H ASP 35 HN ASP 35 -0.357 2.502 4.722
266 HA ASP 35 HA ASP 35 -1.968 2.801 7.132
267 1HB ASP 35 HB2 ASP 35 -0.215 4.898 6.441
268 2HB ASP 35 HB1 ASP 35 -1.818 5.441 5.942
269 H VAL 36 HN VAL 36 -4.068 4.137 6.453
270 HA VAL 36 HA VAL 36 -4.805 3.228 3.693
271 HB VAL 36 HB VAL 36 -6.988 2.830 4.589
272 1HG1 VAL 36 HG12 VAL 36 -5.295 1.164 5.255
273 2HG1 VAL 36 HG11 VAL 36 -4.949 2.099 6.711
274 3HG1 VAL 36 HG13 VAL 36 -6.530 1.345 6.501
275 1HG2 VAL 36 HG22 VAL 36 -6.188 4.921 6.436
276 2HG2 VAL 36 HG21 VAL 36 -7.808 4.334 6.059
277 3HG2 VAL 36 HG23 VAL 36 -6.851 3.539 7.309
278 H GLY 37 HN GLY 37 -6.573 4.602 2.699
279 1HA GLY 37 HA2 GLY 37 -6.756 7.384 3.641
280 2HA GLY 37 HA1 GLY 37 -5.919 7.165 2.102
281 H PHE 38 HN PHE 38 -8.953 6.178 3.720
282 HA PHE 38 HA PHE 38 -10.381 5.412 1.407
283 1HB PHE 38 HB2 PHE 38 -10.836 5.978 4.189
284 2HB PHE 38 HB1 PHE 38 -12.143 6.689 3.241
285 HD1 PHE 38 HD2 PHE 38 -10.158 3.715 2.253
286 HD2 PHE 38 HD1 PHE 38 -13.900 5.144 3.800
287 HE1 PHE 38 HE2 PHE 38 -11.151 1.468 1.921
288 HE2 PHE 38 HE1 PHE 38 -14.894 2.896 3.467
289 HZ PHE 38 HZ PHE 38 -13.523 1.057 2.529
290 H GLU 39 HN GLU 39 -9.340 8.566 2.360
291 HA GLU 39 HA GLU 39 -11.256 10.341 1.425
292 1HB GLU 39 HB2 GLU 39 -8.971 10.859 2.325
293 2HB GLU 39 HB1 GLU 39 -8.289 10.381 0.769
294 1HG GLU 39 HG2 GLU 39 -8.536 12.793 0.772
295 2HG GLU 39 HG1 GLU 39 -9.743 12.117 -0.325
296 H LYS 40 HN LYS 40 -9.278 8.115 -0.444
297 HA LYS 40 HA LYS 40 -11.023 8.451 -2.769
298 1HB LYS 40 HB2 LYS 40 -9.191 10.318 -2.663
299 2HB LYS 40 HB1 LYS 40 -8.100 9.030 -3.179
300 1HG LYS 40 HG2 LYS 40 -8.771 9.441 -5.293
301 2HG LYS 40 HG1 LYS 40 -10.340 8.771 -4.843
302 1HD LYS 40 HD2 LYS 40 -10.962 10.883 -5.599
303 2HD LYS 40 HD1 LYS 40 -10.756 11.189 -3.873
304 1HE LYS 40 HE2 LYS 40 -8.268 11.728 -4.528
305 2HE LYS 40 HE1 LYS 40 -8.946 11.960 -6.151
306 1HZ LYS 40 HZ3 LYS 40 -10.500 13.096 -3.985
307 2HZ LYS 40 HZ2 LYS 40 -8.993 13.837 -4.242
308 3HZ LYS 40 HZ1 LYS 40 -10.125 13.747 -5.506
309 H ARG 41 HN ARG 41 -10.704 6.181 -1.330
310 HA ARG 41 HA ARG 41 -9.921 3.936 -1.399
311 1HB ARG 41 HB2 ARG 41 -10.140 4.784 -4.304
312 2HB ARG 41 HB1 ARG 41 -10.062 3.107 -3.761
313 1HG ARG 41 HG2 ARG 41 -12.048 4.406 -2.200
314 2HG ARG 41 HG1 ARG 41 -12.345 4.829 -3.887
315 1HD ARG 41 HD2 ARG 41 -11.831 2.183 -4.178
316 2HD ARG 41 HD1 ARG 41 -12.532 2.184 -2.548
317 HE ARG 41 HE ARG 41 -14.190 3.871 -4.023
318 1HH1 ARG 41 HH21 ARG 41 -13.038 0.625 -4.292
319 2HH1 ARG 41 HH22 ARG 41 -14.470 0.045 -5.074
320 1HH2 ARG 41 HH11 ARG 41 -16.060 3.127 -5.043
321 2HH2 ARG 41 HH12 ARG 41 -16.178 1.461 -5.503
322 H GLU 42 HN GLU 42 -7.724 5.137 -0.643
323 HA GLU 42 HA GLU 42 -5.621 3.985 -2.391
324 1HB GLU 42 HB2 GLU 42 -4.389 6.140 -2.359
325 2HB GLU 42 HB1 GLU 42 -5.972 6.323 -3.115
326 1HG GLU 42 HG2 GLU 42 -6.727 7.696 -1.476
327 2HG GLU 42 HG1 GLU 42 -6.000 6.717 -0.200
328 H ALA 43 HN ALA 43 -3.674 3.495 -1.231
329 HA ALA 43 HA ALA 43 -3.901 3.804 1.752
330 1HB ALA 43 HB3 ALA 43 -2.717 1.628 -0.018
331 2HB ALA 43 HB2 ALA 43 -2.447 1.694 1.722
332 3HB ALA 43 HB1 ALA 43 -4.079 1.474 1.093
333 H VAL 44 HN VAL 44 -2.005 4.620 2.806
334 HA VAL 44 HA VAL 44 0.060 5.703 0.928
335 HB VAL 44 HB VAL 44 -1.343 7.162 2.500
336 1HG1 VAL 44 HG11 VAL 44 -0.787 5.283 4.358
337 2HG1 VAL 44 HG13 VAL 44 0.516 6.421 4.700
338 3HG1 VAL 44 HG12 VAL 44 -1.164 6.954 4.776
339 1HG2 VAL 44 HG23 VAL 44 1.186 7.469 1.579
340 2HG2 VAL 44 HG22 VAL 44 0.381 8.676 2.583
341 3HG2 VAL 44 HG21 VAL 44 1.496 7.521 3.314
342 H VAL 45 HN VAL 45 2.080 4.800 0.994
343 HA VAL 45 HA VAL 45 2.711 3.086 3.364
344 HB VAL 45 HB VAL 45 3.480 2.691 0.463
345 1HG1 VAL 45 HG11 VAL 45 3.839 1.129 3.009
346 2HG1 VAL 45 HG13 VAL 45 3.746 0.286 1.463
347 3HG1 VAL 45 HG12 VAL 45 5.019 1.474 1.745
348 1HG2 VAL 45 HG22 VAL 45 0.944 2.431 1.596
349 2HG2 VAL 45 HG21 VAL 45 1.496 1.664 0.109
350 3HG2 VAL 45 HG23 VAL 45 1.595 0.794 1.639
351 H THR 46 HN THR 46 4.881 2.869 3.887
352 HA THR 46 HA THR 46 6.845 4.800 2.762
353 HB THR 46 HB THR 46 5.811 4.472 5.579
354 HG1 THR 46 HG1 THR 46 5.405 6.227 3.848
355 1HG2 THR 46 HG21 THR 46 8.274 4.083 5.636
356 2HG2 THR 46 HG23 THR 46 8.508 5.648 4.858
357 3HG2 THR 46 HG22 THR 46 7.795 5.561 6.468
358 H PHE 47 HN PHE 47 9.017 3.822 2.852
359 HA PHE 47 HA PHE 47 9.370 1.363 4.376
360 1HB PHE 47 HB2 PHE 47 9.371 -0.129 2.413
361 2HB PHE 47 HB1 PHE 47 7.809 0.673 2.593
362 HD1 PHE 47 HD2 PHE 47 11.072 0.853 0.754
363 HD2 PHE 47 HD1 PHE 47 6.961 2.110 0.913
364 HE1 PHE 47 HE2 PHE 47 11.294 1.837 -1.495
365 HE2 PHE 47 HE1 PHE 47 7.185 3.097 -1.349
366 HZ PHE 47 HZ PHE 47 9.344 2.960 -2.555
367 H ASP 48 HN ASP 48 11.248 0.062 3.242
368 HA ASP 48 HA ASP 48 13.428 2.039 2.747
369 1HB ASP 48 HB2 ASP 48 13.640 -0.887 3.513
370 2HB ASP 48 HB1 ASP 48 14.874 0.361 3.691
371 H ASP 49 HN ASP 49 13.875 2.201 0.594
372 HA ASP 49 HA ASP 49 12.850 0.420 -1.382
373 1HB ASP 49 HB2 ASP 49 13.504 2.775 -1.720
374 2HB ASP 49 HB1 ASP 49 15.194 2.342 -1.464
375 H THR 50 HN THR 50 15.432 -0.061 0.754
376 HA THR 50 HA THR 50 17.186 -1.595 -0.998
377 HB THR 50 HB THR 50 17.890 -0.376 1.054
378 HG1 THR 50 HG1 THR 50 18.508 -2.841 1.928
379 1HG2 THR 50 HG21 THR 50 15.932 -2.288 2.274
380 2HG2 THR 50 HG23 THR 50 17.332 -1.783 3.222
381 3HG2 THR 50 HG22 THR 50 16.191 -0.579 2.623
382 H LYS 51 HN LYS 51 14.265 -2.273 0.747
383 HA LYS 51 HA LYS 51 14.628 -5.191 0.168
384 1HB LYS 51 HB2 LYS 51 14.115 -3.717 2.667
385 2HB LYS 51 HB1 LYS 51 13.027 -5.080 2.407
386 1HG LYS 51 HG2 LYS 51 15.934 -5.518 1.888
387 2HG LYS 51 HG1 LYS 51 15.413 -5.400 3.569
388 1HD LYS 51 HD2 LYS 51 13.492 -7.051 2.539
389 2HD LYS 51 HD1 LYS 51 14.899 -7.526 1.586
390 1HE LYS 51 HE2 LYS 51 14.789 -7.403 4.624
391 2HE LYS 51 HE1 LYS 51 14.797 -8.882 3.641
392 1HZ LYS 51 HZ3 LYS 51 16.889 -6.772 3.537
393 2HZ LYS 51 HZ2 LYS 51 17.042 -8.234 4.389
394 3HZ LYS 51 HZ1 LYS 51 16.900 -8.244 2.696
395 H ALA 52 HN ALA 52 12.831 -2.479 -0.523
396 HA ALA 52 HA ALA 52 10.646 -4.044 -1.672
397 1HB ALA 52 HB1 ALA 52 10.371 -3.581 0.954
398 2HB ALA 52 HB3 ALA 52 9.744 -2.045 0.356
399 3HB ALA 52 HB2 ALA 52 8.985 -3.559 -0.136
400 H SER 53 HN SER 53 8.776 -2.148 -2.153
401 HA SER 53 HA SER 53 9.569 0.513 -2.677
402 1HB SER 53 HB2 SER 53 9.937 -0.126 -5.288
403 2HB SER 53 HB1 SER 53 11.265 0.008 -4.139
404 HG SER 53 HG SER 53 11.561 -2.058 -4.325
405 H VAL 54 HN VAL 54 8.179 1.465 -4.552
406 HA VAL 54 HA VAL 54 5.471 1.106 -4.217
407 HB VAL 54 HB VAL 54 7.163 1.787 -6.625
408 1HG1 VAL 54 HG12 VAL 54 4.166 1.558 -6.420
409 2HG1 VAL 54 HG11 VAL 54 4.897 2.752 -7.492
410 3HG1 VAL 54 HG13 VAL 54 5.228 1.036 -7.728
411 1HG2 VAL 54 HG21 VAL 54 6.484 3.168 -4.330
412 2HG2 VAL 54 HG23 VAL 54 6.999 3.913 -5.843
413 3HG2 VAL 54 HG22 VAL 54 5.282 3.739 -5.486
414 H GLN 55 HN GLN 55 7.549 -0.757 -6.443
415 HA GLN 55 HA GLN 55 5.643 -2.311 -7.787
416 1HB GLN 55 HB2 GLN 55 8.193 -2.211 -7.996
417 2HB GLN 55 HB1 GLN 55 8.253 -3.339 -6.641
418 1HG GLN 55 HG2 GLN 55 8.279 -4.801 -8.458
419 2HG GLN 55 HG1 GLN 55 6.554 -4.729 -8.090
420 1HE2 GLN 55 HE22 GLN 55 5.715 -2.960 -11.064
421 2HE2 GLN 55 HE21 GLN 55 5.177 -3.421 -9.522
422 H LYS 56 HN LYS 56 7.182 -3.031 -4.639
423 HA LYS 56 HA LYS 56 5.527 -5.386 -4.198
424 1HB LYS 56 HB2 LYS 56 7.437 -3.770 -2.489
425 2HB LYS 56 HB1 LYS 56 6.707 -5.290 -1.969
426 1HG LYS 56 HG2 LYS 56 8.245 -5.059 -4.559
427 2HG LYS 56 HG1 LYS 56 9.037 -5.451 -3.032
428 1HD LYS 56 HD2 LYS 56 7.105 -7.249 -2.855
429 2HD LYS 56 HD1 LYS 56 7.059 -7.058 -4.609
430 1HE LYS 56 HE2 LYS 56 9.426 -7.629 -4.785
431 2HE LYS 56 HE1 LYS 56 9.569 -7.697 -3.017
432 1HZ LYS 56 HZ2 LYS 56 7.449 -9.257 -3.411
433 2HZ LYS 56 HZ1 LYS 56 8.307 -9.575 -4.842
434 3HZ LYS 56 HZ3 LYS 56 9.038 -9.853 -3.337
435 H LEU 57 HN LEU 57 5.167 -1.959 -3.418
436 HA LEU 57 HA LEU 57 3.355 -2.373 -1.186
437 1HB LEU 57 HB2 LEU 57 3.568 -0.049 -3.127
438 2HB LEU 57 HB1 LEU 57 2.908 0.004 -1.495
439 HG LEU 57 HG LEU 57 5.785 -0.644 -2.197
440 1HD1 LEU 57 HD13 LEU 57 4.326 1.836 -1.839
441 2HD1 LEU 57 HD12 LEU 57 5.584 1.670 -0.615
442 3HD1 LEU 57 HD11 LEU 57 6.004 1.594 -2.326
443 1HD2 LEU 57 HD22 LEU 57 4.197 -1.052 0.196
444 2HD2 LEU 57 HD21 LEU 57 5.878 -1.493 -0.102
445 3HD2 LEU 57 HD23 LEU 57 5.484 0.112 0.513
446 H THR 58 HN THR 58 2.772 -1.295 -4.541
447 HA THR 58 HA THR 58 -0.051 -1.596 -4.522
448 HB THR 58 HB THR 58 1.805 -2.049 -6.874
449 HG1 THR 58 HG1 THR 58 1.264 0.245 -5.361
450 1HG2 THR 58 HG21 THR 58 -0.787 -2.214 -6.980
451 2HG2 THR 58 HG23 THR 58 -0.748 -0.460 -6.804
452 3HG2 THR 58 HG22 THR 58 0.039 -1.225 -8.185
453 H LYS 59 HN LYS 59 2.562 -3.927 -4.938
454 HA LYS 59 HA LYS 59 0.843 -6.026 -5.941
455 1HB LYS 59 HB2 LYS 59 3.283 -5.770 -6.430
456 2HB LYS 59 HB1 LYS 59 3.619 -6.129 -4.736
457 1HG LYS 59 HG2 LYS 59 3.157 -8.353 -4.975
458 2HG LYS 59 HG1 LYS 59 1.849 -8.060 -6.121
459 1HD LYS 59 HD2 LYS 59 4.364 -7.262 -7.292
460 2HD LYS 59 HD1 LYS 59 4.477 -8.923 -6.708
461 1HE LYS 59 HE2 LYS 59 2.743 -9.673 -8.106
462 2HE LYS 59 HE1 LYS 59 2.070 -8.042 -8.303
463 1HZ LYS 59 HZ1 LYS 59 4.830 -8.648 -9.157
464 2HZ LYS 59 HZ3 LYS 59 3.525 -8.989 -10.185
465 3HZ LYS 59 HZ2 LYS 59 3.805 -7.394 -9.672
466 H ALA 60 HN ALA 60 1.871 -4.881 -2.789
467 HA ALA 60 HA ALA 60 1.204 -7.298 -1.366
468 1HB ALA 60 HB3 ALA 60 2.669 -5.153 -0.784
469 2HB ALA 60 HB2 ALA 60 1.143 -4.580 -0.116
470 3HB ALA 60 HB1 ALA 60 1.869 -6.065 0.494
471 H THR 61 HN THR 61 -0.452 -4.172 -1.883
472 HA THR 61 HA THR 61 -2.885 -5.011 -0.536
473 HB THR 61 HB THR 61 -2.126 -2.644 -0.887
474 HG1 THR 61 HG1 THR 61 -4.588 -3.654 -1.528
475 1HG2 THR 61 HG22 THR 61 -2.727 -3.323 -3.775
476 2HG2 THR 61 HG21 THR 61 -2.476 -1.684 -3.176
477 3HG2 THR 61 HG23 THR 61 -1.164 -2.861 -3.101
478 H ALA 62 HN ALA 62 -1.568 -5.072 -3.736
479 HA ALA 62 HA ALA 62 -3.915 -5.807 -5.210
480 1HB ALA 62 HB2 ALA 62 -0.938 -6.073 -5.533
481 2HB ALA 62 HB1 ALA 62 -2.008 -6.836 -6.707
482 3HB ALA 62 HB3 ALA 62 -2.064 -5.090 -6.467
483 H ASP 63 HN ASP 63 -1.533 -7.649 -3.346
484 HA ASP 63 HA ASP 63 -2.782 -10.223 -4.100
485 1HB ASP 63 HB2 ASP 63 -0.239 -9.356 -3.394
486 2HB ASP 63 HB1 ASP 63 -0.801 -10.161 -1.928
487 H ALA 64 HN ALA 64 -3.268 -7.748 -1.842
488 HA ALA 64 HA ALA 64 -4.147 -9.404 0.405
489 1HB ALA 64 HB3 ALA 64 -3.232 -6.899 0.185
490 2HB ALA 64 HB2 ALA 64 -4.949 -6.545 -0.010
491 3HB ALA 64 HB1 ALA 64 -4.373 -7.338 1.456
492 H GLY 65 HN GLY 65 -5.492 -8.021 -2.503
493 1HA GLY 65 HA2 GLY 65 -7.618 -9.446 -3.071
494 2HA GLY 65 HA1 GLY 65 -8.233 -8.738 -1.584
495 H TYR 66 HN TYR 66 -6.226 -6.588 -3.422
496 HA TYR 66 HA TYR 66 -8.636 -5.436 -4.761
497 1HB TYR 66 HB2 TYR 66 -6.661 -3.947 -3.015
498 2HB TYR 66 HB1 TYR 66 -8.066 -3.252 -3.815
499 HD1 TYR 66 HD1 TYR 66 -10.333 -4.620 -3.300
500 HD2 TYR 66 HD2 TYR 66 -6.835 -4.450 -0.839
501 HE1 TYR 66 HE1 TYR 66 -11.708 -5.156 -1.323
502 HE2 TYR 66 HE2 TYR 66 -8.191 -4.971 1.145
503 HH TYR 66 HH TYR 66 -10.479 -6.228 1.536
504 HA PRO 67 HA PRO 67 -5.334 -5.310 -7.904
505 1HB PRO 67 HB2 PRO 67 -7.316 -4.028 -9.586
506 2HB PRO 67 HB1 PRO 67 -6.649 -5.657 -9.742
507 1HG PRO 67 HG2 PRO 67 -9.278 -4.915 -8.865
508 2HG PRO 67 HG1 PRO 67 -8.600 -6.539 -9.002
509 1HD PRO 67 HD2 PRO 67 -9.206 -5.095 -6.590
510 2HD PRO 67 HD1 PRO 67 -8.452 -6.703 -6.729
511 H SER 68 HN SER 68 -4.118 -3.623 -6.916
512 HA SER 68 HA SER 68 -5.320 -0.895 -6.957
513 1HB SER 68 HB2 SER 68 -3.711 -0.463 -5.180
514 2HB SER 68 HB1 SER 68 -4.548 -1.975 -4.841
515 HG SER 68 HG SER 68 -2.606 -2.793 -6.213
516 H SER 69 HN SER 69 -3.102 0.631 -6.722
517 HA SER 69 HA SER 69 -1.162 0.134 -8.877
518 1HB SER 69 HB2 SER 69 -3.639 1.426 -9.361
519 2HB SER 69 HB1 SER 69 -2.430 2.706 -9.304
520 HG SER 69 HG SER 69 -2.917 1.210 -11.323
521 H VAL 70 HN VAL 70 -0.171 2.729 -9.058
522 HA VAL 70 HA VAL 70 0.184 3.593 -6.237
523 HB VAL 70 HB VAL 70 1.839 1.893 -7.207
524 1HG1 VAL 70 HG12 VAL 70 1.964 3.248 -9.395
525 2HG1 VAL 70 HG11 VAL 70 3.035 4.339 -8.515
526 3HG1 VAL 70 HG13 VAL 70 3.486 2.648 -8.736
527 1HG2 VAL 70 HG22 VAL 70 2.204 4.208 -5.534
528 2HG2 VAL 70 HG21 VAL 70 3.013 2.644 -5.428
529 3HG2 VAL 70 HG23 VAL 70 3.688 3.918 -6.442
530 H LYS 71 HN LYS 71 1.047 5.782 -6.014
531 HA LYS 71 HA LYS 71 0.723 7.416 -8.513
532 1HB LYS 71 HB2 LYS 71 0.107 8.420 -5.745
533 2HB LYS 71 HB1 LYS 71 -0.529 8.994 -7.284
534 1HG LYS 71 HG2 LYS 71 -1.258 6.277 -7.120
535 2HG LYS 71 HG1 LYS 71 -1.591 6.964 -5.530
536 1HD LYS 71 HD2 LYS 71 -2.374 8.674 -7.801
537 2HD LYS 71 HD1 LYS 71 -3.271 7.161 -7.681
538 1HE LYS 71 HE2 LYS 71 -3.458 7.822 -5.123
539 2HE LYS 71 HE1 LYS 71 -3.175 9.459 -5.749
540 1HZ LYS 71 HZ2 LYS 71 -4.914 9.019 -7.428
541 2HZ LYS 71 HZ1 LYS 71 -5.259 7.544 -6.657
542 3HZ LYS 71 HZ3 LYS 71 -5.517 9.008 -5.840
543 H GLN 72 HN GLN 72 2.994 6.204 -7.133
544 HA GLN 72 HA GLN 72 4.591 8.092 -5.711
545 1HB GLN 72 HB2 GLN 72 6.436 6.597 -6.389
546 2HB GLN 72 HB1 GLN 72 5.017 5.655 -5.930
547 1HG GLN 72 HG2 GLN 72 4.774 4.814 -8.014
548 2HG GLN 72 HG1 GLN 72 5.015 6.393 -8.763
549 1HE2 GLN 72 HE22 GLN 72 8.706 5.917 -8.570
550 2HE2 GLN 72 HE21 GLN 72 7.602 7.065 -7.983
No H/Q in entry = 550
Start of MODEL 7
1 1H ALA 1 HT3 ALA 1 16.861 1.966 0.750
2 2H ALA 1 HT2 ALA 1 16.676 2.322 -0.900
3 3H ALA 1 HT1 ALA 1 18.125 2.709 -0.102
4 HA ALA 1 HA ALA 1 17.320 4.622 0.744
5 1HB ALA 1 HB3 ALA 1 16.775 4.465 -1.730
6 2HB ALA 1 HB2 ALA 1 15.132 4.020 -1.267
7 3HB ALA 1 HB1 ALA 1 15.773 5.604 -0.831
8 H THR 2 HN THR 2 14.923 5.756 1.208
9 HA THR 2 HA THR 2 13.175 3.903 2.689
10 HB THR 2 HB THR 2 13.507 6.072 4.363
11 HG1 THR 2 HG1 THR 2 15.291 6.830 3.318
12 1HG2 THR 2 HG23 THR 2 14.270 3.248 4.300
13 2HG2 THR 2 HG22 THR 2 15.295 4.221 5.355
14 3HG2 THR 2 HG21 THR 2 13.550 4.186 5.607
15 H GLN 3 HN GLN 3 11.697 4.531 0.965
16 HA GLN 3 HA GLN 3 10.903 7.433 1.027
17 1HB GLN 3 HB2 GLN 3 10.873 5.311 -1.122
18 2HB GLN 3 HB1 GLN 3 10.055 6.862 -1.313
19 1HG GLN 3 HG2 GLN 3 12.379 7.848 -0.555
20 2HG GLN 3 HG1 GLN 3 12.994 6.287 -1.098
21 1HE2 GLN 3 HE22 GLN 3 11.248 7.207 -4.413
22 2HE2 GLN 3 HE21 GLN 3 10.720 6.181 -3.169
23 H THR 4 HN THR 4 8.610 7.876 0.510
24 HA THR 4 HA THR 4 6.739 5.716 1.408
25 HB THR 4 HB THR 4 7.203 7.229 3.266
26 HG1 THR 4 HG1 THR 4 5.101 6.774 3.314
27 1HG2 THR 4 HG21 THR 4 7.386 9.148 1.155
28 2HG2 THR 4 HG23 THR 4 6.154 9.694 2.292
29 3HG2 THR 4 HG22 THR 4 7.790 9.358 2.859
30 H VAL 5 HN VAL 5 5.177 5.429 -0.128
31 HA VAL 5 HA VAL 5 4.400 7.764 -1.871
32 HB VAL 5 HB VAL 5 5.577 6.363 -3.294
33 1HG1 VAL 5 HG11 VAL 5 4.456 4.074 -1.672
34 2HG1 VAL 5 HG13 VAL 5 5.324 3.833 -3.188
35 3HG1 VAL 5 HG12 VAL 5 6.142 4.572 -1.812
36 1HG2 VAL 5 HG23 VAL 5 2.773 5.230 -3.339
37 2HG2 VAL 5 HG22 VAL 5 3.316 6.682 -4.180
38 3HG2 VAL 5 HG21 VAL 5 3.950 5.108 -4.645
39 H THR 6 HN THR 6 2.199 7.296 -2.853
40 HA THR 6 HA THR 6 0.435 6.197 -0.716
41 HB THR 6 HB THR 6 -1.177 7.629 -2.315
42 HG1 THR 6 HG1 THR 6 0.214 9.491 -2.918
43 1HG2 THR 6 HG21 THR 6 -0.193 7.954 0.156
44 2HG2 THR 6 HG23 THR 6 0.625 9.297 -0.642
45 3HG2 THR 6 HG22 THR 6 -1.137 9.208 -0.650
46 H LEU 7 HN LEU 7 -1.490 4.990 -1.592
47 HA LEU 7 HA LEU 7 -0.932 3.809 -4.274
48 1HB LEU 7 HB2 LEU 7 -0.821 2.628 -1.622
49 2HB LEU 7 HB1 LEU 7 -2.009 1.794 -2.628
50 HG LEU 7 HG LEU 7 -0.392 1.354 -4.329
51 1HD1 LEU 7 HD13 LEU 7 1.236 3.379 -2.844
52 2HD1 LEU 7 HD12 LEU 7 2.034 2.169 -3.849
53 3HD1 LEU 7 HD11 LEU 7 0.877 3.283 -4.562
54 1HD2 LEU 7 HD23 LEU 7 -0.228 -0.060 -2.239
55 2HD2 LEU 7 HD22 LEU 7 1.269 0.025 -3.167
56 3HD2 LEU 7 HD21 LEU 7 1.082 0.997 -1.712
57 H ALA 8 HN ALA 8 -2.824 3.039 -5.343
58 HA ALA 8 HA ALA 8 -5.333 4.307 -4.301
59 1HB ALA 8 HB1 ALA 8 -4.314 5.058 -6.468
60 2HB ALA 8 HB3 ALA 8 -4.581 3.436 -7.107
61 3HB ALA 8 HB2 ALA 8 -5.956 4.442 -6.652
62 H VAL 9 HN VAL 9 -6.250 2.621 -3.081
63 HA VAL 9 HA VAL 9 -6.791 0.042 -4.522
64 HB VAL 9 HB VAL 9 -5.504 -0.325 -2.524
65 1HG1 VAL 9 HG12 VAL 9 -7.389 1.705 -1.318
66 2HG1 VAL 9 HG11 VAL 9 -6.439 0.619 -0.306
67 3HG1 VAL 9 HG13 VAL 9 -5.629 1.753 -1.386
68 1HG2 VAL 9 HG21 VAL 9 -8.287 -1.114 -2.634
69 2HG2 VAL 9 HG23 VAL 9 -6.901 -2.022 -2.033
70 3HG2 VAL 9 HG22 VAL 9 -7.773 -0.930 -0.958
71 HA PRO 10 HA PRO 10 -10.839 2.217 -4.238
72 1HB PRO 10 HB2 PRO 10 -11.682 0.997 -6.628
73 2HB PRO 10 HB1 PRO 10 -11.007 2.621 -6.462
74 1HG PRO 10 HG2 PRO 10 -9.794 0.266 -7.661
75 2HG PRO 10 HG1 PRO 10 -9.221 1.936 -7.678
76 1HD PRO 10 HD2 PRO 10 -8.193 -0.268 -6.124
77 2HD PRO 10 HD1 PRO 10 -7.627 1.420 -6.140
78 H GLY 11 HN GLY 11 -10.104 -0.513 -3.019
79 1HA GLY 11 HA2 GLY 11 -12.138 -2.391 -3.766
80 2HA GLY 11 HA1 GLY 11 -11.257 -2.396 -2.234
81 H MET 12 HN MET 12 -11.947 0.134 -1.270
82 HA MET 12 HA MET 12 -13.632 0.912 0.232
83 1HB MET 12 HB2 MET 12 -15.380 1.971 -1.118
84 2HB MET 12 HB1 MET 12 -13.848 2.075 -1.987
85 1HG MET 12 HG2 MET 12 -14.453 0.390 -3.510
86 2HG MET 12 HG1 MET 12 -15.716 -0.241 -2.454
87 1HE MET 12 HE2 MET 12 -17.821 0.217 -2.361
88 2HE MET 12 HE1 MET 12 -17.848 1.843 -1.686
89 3HE MET 12 HE3 MET 12 -18.780 1.472 -3.142
90 H THR 13 HN THR 13 -13.543 -1.856 0.382
91 HA THR 13 HA THR 13 -16.102 -3.107 -0.115
92 HB THR 13 HB THR 13 -13.642 -3.986 0.244
93 HG1 THR 13 HG1 THR 13 -15.704 -5.434 1.513
94 1HG2 THR 13 HG22 THR 13 -14.105 -3.022 2.783
95 2HG2 THR 13 HG21 THR 13 -14.417 -4.750 2.952
96 3HG2 THR 13 HG23 THR 13 -12.864 -4.191 2.337
97 H CYS 14 HN CYS 14 -15.303 -0.687 1.995
98 HA CYS 14 HA CYS 14 -16.642 0.310 3.670
99 1HB CYS 14 HB2 CYS 14 -18.328 -1.495 2.552
100 2HB CYS 14 HB1 CYS 14 -18.181 -2.181 4.170
101 HG CYS 14 HG CYS 14 -20.117 -0.343 4.097
102 H ALA 15 HN ALA 15 -14.731 0.265 4.971
103 HA ALA 15 HA ALA 15 -13.694 -0.154 7.052
104 1HB ALA 15 HB3 ALA 15 -16.221 -0.602 7.527
105 2HB ALA 15 HB2 ALA 15 -15.751 -2.302 7.511
106 3HB ALA 15 HB1 ALA 15 -15.026 -1.198 8.680
107 H ALA 16 HN ALA 16 -12.987 -1.747 4.563
108 HA ALA 16 HA ALA 16 -11.423 -3.788 6.016
109 1HB ALA 16 HB1 ALA 16 -13.905 -4.376 4.687
110 2HB ALA 16 HB3 ALA 16 -12.590 -5.214 3.862
111 3HB ALA 16 HB2 ALA 16 -12.853 -5.467 5.587
112 H CYS 17 HN CYS 17 -12.263 -2.276 2.891
113 HA CYS 17 HA CYS 17 -10.208 -3.255 1.265
114 1HB CYS 17 HB2 CYS 17 -11.642 -1.856 0.156
115 2HB CYS 17 HB1 CYS 17 -11.802 -0.758 1.517
116 HG CYS 17 HG CYS 17 -9.593 -0.620 -0.661
117 HA PRO 18 HA PRO 18 -7.169 0.019 3.048
118 1HB PRO 18 HB2 PRO 18 -7.983 1.252 5.390
119 2HB PRO 18 HB1 PRO 18 -8.216 1.910 3.766
120 1HG PRO 18 HG2 PRO 18 -10.203 0.743 5.606
121 2HG PRO 18 HG1 PRO 18 -10.449 1.820 4.229
122 1HD PRO 18 HD2 PRO 18 -10.951 -0.984 4.310
123 2HD PRO 18 HD1 PRO 18 -10.990 0.067 2.873
124 H ILE 19 HN ILE 19 -8.795 -2.309 5.008
125 HA ILE 19 HA ILE 19 -6.717 -2.344 7.115
126 HB ILE 19 HB ILE 19 -9.264 -3.866 6.520
127 1HG1 ILE 19 HG12 ILE 19 -9.448 -1.561 7.421
128 2HG1 ILE 19 HG11 ILE 19 -10.024 -2.758 8.581
129 1HG2 ILE 19 HG21 ILE 19 -7.116 -4.392 8.562
130 2HG2 ILE 19 HG23 ILE 19 -8.800 -4.758 8.936
131 3HG2 ILE 19 HG22 ILE 19 -8.009 -5.546 7.571
132 1HD1 ILE 19 HD12 ILE 19 -7.425 -2.662 9.304
133 2HD1 ILE 19 HD11 ILE 19 -7.616 -1.019 8.693
134 3HD1 ILE 19 HD13 ILE 19 -8.648 -1.600 10.001
135 H THR 20 HN THR 20 -7.902 -4.381 4.476
136 HA THR 20 HA THR 20 -5.977 -6.508 4.845
137 HB THR 20 HB THR 20 -8.092 -5.583 2.969
138 HG1 THR 20 HG1 THR 20 -7.375 -8.162 3.900
139 1HG2 THR 20 HG23 THR 20 -6.217 -5.984 1.428
140 2HG2 THR 20 HG22 THR 20 -6.002 -7.596 2.110
141 3HG2 THR 20 HG21 THR 20 -7.480 -7.197 1.232
142 H VAL 21 HN VAL 21 -6.240 -3.587 2.841
143 HA VAL 21 HA VAL 21 -3.855 -4.029 1.322
144 HB VAL 21 HB VAL 21 -5.600 -1.675 2.054
145 1HG1 VAL 21 HG13 VAL 21 -3.249 -0.892 1.778
146 2HG1 VAL 21 HG12 VAL 21 -3.218 -1.636 0.180
147 3HG1 VAL 21 HG11 VAL 21 -4.314 -0.295 0.506
148 1HG2 VAL 21 HG21 VAL 21 -5.271 -3.559 -0.231
149 2HG2 VAL 21 HG23 VAL 21 -6.736 -2.818 0.410
150 3HG2 VAL 21 HG22 VAL 21 -5.664 -1.888 -0.634
151 H LYS 22 HN LYS 22 -4.581 -2.074 4.216
152 HA LYS 22 HA LYS 22 -2.084 -0.937 4.744
153 1HB LYS 22 HB2 LYS 22 -3.973 -0.455 6.123
154 2HB LYS 22 HB1 LYS 22 -4.205 -2.157 6.525
155 1HG LYS 22 HG2 LYS 22 -2.791 -1.998 8.269
156 2HG LYS 22 HG1 LYS 22 -1.531 -1.317 7.241
157 1HD LYS 22 HD2 LYS 22 -2.278 0.899 7.590
158 2HD LYS 22 HD1 LYS 22 -3.847 0.365 8.194
159 1HE LYS 22 HE2 LYS 22 -2.101 -0.857 9.958
160 2HE LYS 22 HE1 LYS 22 -1.320 0.707 9.654
161 1HZ LYS 22 HZ1 LYS 22 -4.232 0.578 10.058
162 2HZ LYS 22 HZ3 LYS 22 -3.206 0.560 11.408
163 3HZ LYS 22 HZ2 LYS 22 -3.168 1.875 10.332
164 H LYS 23 HN LYS 23 -3.174 -4.214 5.700
165 HA LYS 23 HA LYS 23 -0.624 -4.930 6.869
166 1HB LYS 23 HB2 LYS 23 -2.968 -6.601 5.930
167 2HB LYS 23 HB1 LYS 23 -1.695 -7.146 7.024
168 1HG LYS 23 HG2 LYS 23 -3.198 -4.646 7.708
169 2HG LYS 23 HG1 LYS 23 -3.978 -6.203 7.985
170 1HD LYS 23 HD2 LYS 23 -1.181 -6.092 8.897
171 2HD LYS 23 HD1 LYS 23 -2.259 -4.988 9.752
172 1HE LYS 23 HE2 LYS 23 -3.262 -7.766 9.298
173 2HE LYS 23 HE1 LYS 23 -1.995 -7.545 10.522
174 1HZ LYS 23 HZ1 LYS 23 -4.305 -5.710 10.387
175 2HZ LYS 23 HZ3 LYS 23 -4.426 -7.180 11.225
176 3HZ LYS 23 HZ2 LYS 23 -3.272 -6.027 11.698
177 H ALA 24 HN ALA 24 -1.838 -5.014 3.624
178 HA ALA 24 HA ALA 24 -0.148 -7.115 2.633
179 1HB ALA 24 HB2 ALA 24 -2.228 -5.377 1.750
180 2HB ALA 24 HB1 ALA 24 -0.880 -5.207 0.624
181 3HB ALA 24 HB3 ALA 24 -1.586 -6.796 0.923
182 H LEU 25 HN LEU 25 0.017 -3.554 2.467
183 HA LEU 25 HA LEU 25 2.578 -3.455 1.157
184 1HB LEU 25 HB2 LEU 25 1.015 -1.523 2.899
185 2HB LEU 25 HB1 LEU 25 2.400 -1.071 1.900
186 HG LEU 25 HG LEU 25 0.933 -2.378 0.059
187 1HD1 LEU 25 HD12 LEU 25 -0.921 -1.547 2.214
188 2HD1 LEU 25 HD11 LEU 25 -1.428 -1.257 0.551
189 3HD1 LEU 25 HD13 LEU 25 -1.037 -2.894 1.078
190 1HD2 LEU 25 HD21 LEU 25 0.912 0.474 0.994
191 2HD2 LEU 25 HD23 LEU 25 1.686 -0.215 -0.428
192 3HD2 LEU 25 HD22 LEU 25 -0.063 -0.009 -0.392
193 H SER 26 HN SER 26 1.508 -3.537 4.505
194 HA SER 26 HA SER 26 4.148 -2.968 5.637
195 1HB SER 26 HB2 SER 26 1.639 -2.702 6.517
196 2HB SER 26 HB1 SER 26 1.928 -4.330 7.127
197 HG SER 26 HG SER 26 4.025 -3.244 7.871
198 H LYS 27 HN LYS 27 2.454 -5.820 4.498
199 HA LYS 27 HA LYS 27 4.357 -7.571 5.949
200 1HB LYS 27 HB2 LYS 27 2.860 -9.374 5.236
201 2HB LYS 27 HB1 LYS 27 1.909 -8.071 5.941
202 1HG LYS 27 HG2 LYS 27 0.747 -8.647 3.959
203 2HG LYS 27 HG1 LYS 27 1.648 -7.198 3.539
204 1HD LYS 27 HD2 LYS 27 3.000 -8.297 2.080
205 2HD LYS 27 HD1 LYS 27 3.108 -9.724 3.111
206 1HE LYS 27 HE2 LYS 27 0.814 -10.390 2.415
207 2HE LYS 27 HE1 LYS 27 0.756 -8.984 1.332
208 1HZ LYS 27 HZ1 LYS 27 2.955 -9.837 0.441
209 2HZ LYS 27 HZ3 LYS 27 2.604 -11.297 1.230
210 3HZ LYS 27 HZ2 LYS 27 1.571 -10.724 0.009
211 H VAL 28 HN VAL 28 4.092 -5.953 3.029
212 HA VAL 28 HA VAL 28 4.872 -7.560 0.944
213 HB VAL 28 HB VAL 28 5.666 -4.833 1.923
214 1HG1 VAL 28 HG11 VAL 28 6.999 -6.400 -0.264
215 2HG1 VAL 28 HG13 VAL 28 6.708 -4.679 -0.524
216 3HG1 VAL 28 HG12 VAL 28 7.693 -5.211 0.838
217 1HG2 VAL 28 HG23 VAL 28 3.499 -5.719 0.611
218 2HG2 VAL 28 HG22 VAL 28 4.165 -4.110 0.334
219 3HG2 VAL 28 HG21 VAL 28 4.544 -5.425 -0.778
220 H GLU 29 HN GLU 29 7.536 -5.857 2.567
221 HA GLU 29 HA GLU 29 8.920 -8.152 3.550
222 1HB GLU 29 HB2 GLU 29 9.177 -9.018 1.409
223 2HB GLU 29 HB1 GLU 29 9.179 -7.425 0.654
224 1HG GLU 29 HG2 GLU 29 11.426 -7.025 1.219
225 2HG GLU 29 HG1 GLU 29 11.433 -8.278 2.460
226 H GLY 30 HN GLY 30 9.760 -5.248 1.609
227 1HA GLY 30 HA2 GLY 30 11.805 -4.543 3.628
228 2HA GLY 30 HA1 GLY 30 11.593 -3.763 2.061
229 H VAL 31 HN VAL 31 8.549 -3.785 2.868
230 HA VAL 31 HA VAL 31 8.159 -1.103 3.461
231 HB VAL 31 HB VAL 31 6.389 -2.775 2.999
232 1HG1 VAL 31 HG11 VAL 31 7.597 -4.046 5.277
233 2HG1 VAL 31 HG13 VAL 31 5.901 -3.727 5.635
234 3HG1 VAL 31 HG12 VAL 31 6.338 -4.673 4.212
235 1HG2 VAL 31 HG21 VAL 31 6.013 -0.540 4.251
236 2HG2 VAL 31 HG23 VAL 31 4.732 -1.744 4.361
237 3HG2 VAL 31 HG22 VAL 31 5.854 -1.529 5.702
238 H SER 32 HN SER 32 8.209 0.162 5.194
239 HA SER 32 HA SER 32 9.236 -0.995 7.761
240 1HB SER 32 HB2 SER 32 10.940 0.313 6.637
241 2HB SER 32 HB1 SER 32 9.799 1.621 6.336
242 HG SER 32 HG SER 32 10.593 0.688 8.900
243 H LYS 33 HN LYS 33 6.765 0.748 6.193
244 HA LYS 33 HA LYS 33 5.285 1.073 8.695
245 1HB LYS 33 HB2 LYS 33 6.400 3.021 9.161
246 2HB LYS 33 HB1 LYS 33 6.896 3.255 7.489
247 1HG LYS 33 HG2 LYS 33 4.618 4.030 6.921
248 2HG LYS 33 HG1 LYS 33 4.121 3.793 8.596
249 1HD LYS 33 HD2 LYS 33 6.441 5.579 7.840
250 2HD LYS 33 HD1 LYS 33 4.786 6.179 7.952
251 1HE LYS 33 HE2 LYS 33 4.679 5.845 10.269
252 2HE LYS 33 HE1 LYS 33 5.962 4.618 10.247
253 1HZ LYS 33 HZ1 LYS 33 7.469 6.417 9.420
254 2HZ LYS 33 HZ3 LYS 33 6.246 7.535 9.782
255 3HZ LYS 33 HZ2 LYS 33 6.948 6.614 11.025
256 H VAL 34 HN VAL 34 3.121 2.192 8.218
257 HA VAL 34 HA VAL 34 2.301 2.428 5.417
258 HB VAL 34 HB VAL 34 2.553 -0.062 6.016
259 1HG1 VAL 34 HG13 VAL 34 1.296 0.522 8.289
260 2HG1 VAL 34 HG12 VAL 34 -0.133 0.188 7.310
261 3HG1 VAL 34 HG11 VAL 34 1.102 -1.054 7.520
262 1HG2 VAL 34 HG22 VAL 34 1.195 0.887 4.108
263 2HG2 VAL 34 HG21 VAL 34 0.606 -0.659 4.720
264 3HG2 VAL 34 HG23 VAL 34 -0.214 0.837 5.168
265 H ASP 35 HN ASP 35 -0.201 2.703 5.352
266 HA ASP 35 HA ASP 35 -1.553 3.413 7.839
267 1HB ASP 35 HB2 ASP 35 0.160 5.295 6.508
268 2HB ASP 35 HB1 ASP 35 -1.507 5.855 6.361
269 H VAL 36 HN VAL 36 -3.749 4.458 7.271
270 HA VAL 36 HA VAL 36 -4.689 3.350 4.651
271 HB VAL 36 HB VAL 36 -5.941 3.780 7.367
272 1HG1 VAL 36 HG11 VAL 36 -7.299 3.266 4.709
273 2HG1 VAL 36 HG13 VAL 36 -8.062 2.910 6.259
274 3HG1 VAL 36 HG12 VAL 36 -7.629 4.570 5.851
275 1HG2 VAL 36 HG22 VAL 36 -4.702 1.683 6.944
276 2HG2 VAL 36 HG21 VAL 36 -6.428 1.370 7.127
277 3HG2 VAL 36 HG23 VAL 36 -5.698 1.383 5.521
278 H GLY 37 HN GLY 37 -5.998 4.656 3.320
279 1HA GLY 37 HA2 GLY 37 -6.477 7.463 4.185
280 2HA GLY 37 HA1 GLY 37 -5.628 7.173 2.664
281 H PHE 38 HN PHE 38 -8.559 5.902 4.290
282 HA PHE 38 HA PHE 38 -9.932 5.163 1.921
283 1HB PHE 38 HB2 PHE 38 -10.319 5.118 4.668
284 2HB PHE 38 HB1 PHE 38 -11.604 6.186 4.104
285 HD1 PHE 38 HD2 PHE 38 -10.074 3.353 2.217
286 HD2 PHE 38 HD1 PHE 38 -13.513 4.785 4.358
287 HE1 PHE 38 HE2 PHE 38 -11.370 1.387 1.443
288 HE2 PHE 38 HE1 PHE 38 -14.806 2.818 3.585
289 HZ PHE 38 HZ PHE 38 -13.745 1.119 2.135
290 H GLU 39 HN GLU 39 -9.365 8.312 3.297
291 HA GLU 39 HA GLU 39 -11.502 9.871 2.434
292 1HB GLU 39 HB2 GLU 39 -8.579 10.168 2.779
293 2HB GLU 39 HB1 GLU 39 -9.321 11.384 1.737
294 1HG GLU 39 HG2 GLU 39 -9.460 12.278 3.942
295 2HG GLU 39 HG1 GLU 39 -11.078 11.673 3.579
296 H LYS 40 HN LYS 40 -9.127 8.176 0.502
297 HA LYS 40 HA LYS 40 -10.645 8.869 -1.955
298 1HB LYS 40 HB2 LYS 40 -8.211 10.089 -1.159
299 2HB LYS 40 HB1 LYS 40 -7.812 8.990 -2.479
300 1HG LYS 40 HG2 LYS 40 -8.632 10.499 -3.930
301 2HG LYS 40 HG1 LYS 40 -10.227 10.268 -3.214
302 1HD LYS 40 HD2 LYS 40 -9.937 12.546 -2.869
303 2HD LYS 40 HD1 LYS 40 -9.281 11.906 -1.363
304 1HE LYS 40 HE2 LYS 40 -7.219 11.936 -3.399
305 2HE LYS 40 HE1 LYS 40 -7.928 13.552 -3.208
306 1HZ LYS 40 HZ1 LYS 40 -7.786 13.140 -0.746
307 2HZ LYS 40 HZ3 LYS 40 -6.805 11.801 -1.095
308 3HZ LYS 40 HZ2 LYS 40 -6.297 13.362 -1.533
309 H ARG 41 HN ARG 41 -10.423 6.412 -0.426
310 HA ARG 41 HA ARG 41 -9.836 4.128 -0.680
311 1HB ARG 41 HB2 ARG 41 -10.850 5.359 -3.121
312 2HB ARG 41 HB1 ARG 41 -9.857 3.944 -3.472
313 1HG ARG 41 HG2 ARG 41 -12.291 3.412 -3.102
314 2HG ARG 41 HG1 ARG 41 -11.200 2.558 -2.011
315 1HD ARG 41 HD2 ARG 41 -12.961 3.407 -0.618
316 2HD ARG 41 HD1 ARG 41 -11.599 4.511 -0.363
317 HE ARG 41 HE ARG 41 -12.981 5.539 -2.573
318 1HH1 ARG 41 HH21 ARG 41 -13.645 4.750 0.723
319 2HH1 ARG 41 HH22 ARG 41 -14.875 5.954 0.899
320 1HH2 ARG 41 HH11 ARG 41 -14.581 7.115 -2.358
321 2HH2 ARG 41 HH12 ARG 41 -15.404 7.297 -0.845
322 H GLU 42 HN GLU 42 -7.520 5.358 -0.120
323 HA GLU 42 HA GLU 42 -5.589 4.059 -1.985
324 1HB GLU 42 HB2 GLU 42 -4.219 6.204 -1.773
325 2HB GLU 42 HB1 GLU 42 -5.696 6.346 -2.727
326 1HG GLU 42 HG2 GLU 42 -6.562 7.855 -1.296
327 2HG GLU 42 HG1 GLU 42 -6.221 6.819 0.091
328 H ALA 43 HN ALA 43 -3.619 3.423 -0.920
329 HA ALA 43 HA ALA 43 -3.688 3.701 2.076
330 1HB ALA 43 HB3 ALA 43 -4.140 1.421 1.166
331 2HB ALA 43 HB2 ALA 43 -2.589 1.462 0.327
332 3HB ALA 43 HB1 ALA 43 -2.638 1.462 2.090
333 H VAL 44 HN VAL 44 -1.752 4.487 3.022
334 HA VAL 44 HA VAL 44 0.372 5.278 1.067
335 HB VAL 44 HB VAL 44 -0.851 6.983 2.458
336 1HG1 VAL 44 HG12 VAL 44 -0.752 5.207 4.455
337 2HG1 VAL 44 HG11 VAL 44 0.723 6.095 4.836
338 3HG1 VAL 44 HG13 VAL 44 -0.823 6.941 4.766
339 1HG2 VAL 44 HG23 VAL 44 1.946 6.681 2.014
340 2HG2 VAL 44 HG22 VAL 44 1.042 8.181 2.219
341 3HG2 VAL 44 HG21 VAL 44 1.745 7.376 3.622
342 H VAL 45 HN VAL 45 2.526 4.669 1.440
343 HA VAL 45 HA VAL 45 3.070 3.001 3.849
344 HB VAL 45 HB VAL 45 2.184 1.748 1.797
345 1HG1 VAL 45 HG13 VAL 45 4.976 2.426 0.833
346 2HG1 VAL 45 HG12 VAL 45 3.900 1.249 0.077
347 3HG1 VAL 45 HG11 VAL 45 3.463 2.957 0.098
348 1HG2 VAL 45 HG23 VAL 45 4.833 1.091 3.107
349 2HG2 VAL 45 HG22 VAL 45 3.232 0.516 3.573
350 3HG2 VAL 45 HG21 VAL 45 3.970 -0.049 2.074
351 H THR 46 HN THR 46 5.157 2.959 4.503
352 HA THR 46 HA THR 46 7.174 4.584 2.994
353 HB THR 46 HB THR 46 6.506 4.082 5.889
354 HG1 THR 46 HG1 THR 46 7.555 6.461 4.933
355 1HG2 THR 46 HG22 THR 46 9.232 4.869 4.826
356 2HG2 THR 46 HG21 THR 46 8.737 5.037 6.510
357 3HG2 THR 46 HG23 THR 46 8.842 3.436 5.777
358 H PHE 47 HN PHE 47 9.359 3.488 2.870
359 HA PHE 47 HA PHE 47 9.669 0.856 4.040
360 1HB PHE 47 HB2 PHE 47 9.420 -0.448 1.992
361 2HB PHE 47 HB1 PHE 47 7.937 0.451 2.310
362 HD1 PHE 47 HD2 PHE 47 11.073 0.442 0.259
363 HD2 PHE 47 HD1 PHE 47 7.151 2.124 0.819
364 HE1 PHE 47 HE2 PHE 47 11.227 1.543 -1.948
365 HE2 PHE 47 HE1 PHE 47 7.316 3.219 -1.397
366 HZ PHE 47 HZ PHE 47 9.349 2.930 -2.779
367 H ASP 48 HN ASP 48 11.411 -0.406 2.691
368 HA ASP 48 HA ASP 48 13.641 1.521 2.223
369 1HB ASP 48 HB2 ASP 48 13.504 -0.495 3.982
370 2HB ASP 48 HB1 ASP 48 14.021 -1.426 2.575
371 H ASP 49 HN ASP 49 13.798 1.904 0.059
372 HA ASP 49 HA ASP 49 12.736 0.203 -1.972
373 1HB ASP 49 HB2 ASP 49 13.279 2.686 -2.005
374 2HB ASP 49 HB1 ASP 49 14.965 2.229 -2.242
375 H THR 50 HN THR 50 15.536 -0.217 -0.096
376 HA THR 50 HA THR 50 17.325 -1.355 -2.054
377 HB THR 50 HB THR 50 17.932 -0.517 0.216
378 HG1 THR 50 HG1 THR 50 19.246 -2.360 0.741
379 1HG2 THR 50 HG21 THR 50 15.759 -1.998 1.039
380 2HG2 THR 50 HG23 THR 50 17.116 -2.994 1.564
381 3HG2 THR 50 HG22 THR 50 16.987 -1.321 2.109
382 H LYS 51 HN LYS 51 14.379 -2.480 -0.735
383 HA LYS 51 HA LYS 51 14.922 -5.195 -1.825
384 1HB LYS 51 HB2 LYS 51 14.470 -4.365 0.946
385 2HB LYS 51 HB1 LYS 51 13.387 -5.659 0.427
386 1HG LYS 51 HG2 LYS 51 15.080 -7.172 0.217
387 2HG LYS 51 HG1 LYS 51 16.215 -5.967 -0.390
388 1HD LYS 51 HD2 LYS 51 16.673 -5.152 1.812
389 2HD LYS 51 HD1 LYS 51 15.321 -6.053 2.499
390 1HE LYS 51 HE2 LYS 51 17.223 -7.768 1.053
391 2HE LYS 51 HE1 LYS 51 17.933 -6.951 2.460
392 1HZ LYS 51 HZ3 LYS 51 15.241 -8.126 2.650
393 2HZ LYS 51 HZ2 LYS 51 16.601 -9.132 2.808
394 3HZ LYS 51 HZ1 LYS 51 16.371 -7.836 3.882
395 H ALA 52 HN ALA 52 12.542 -2.841 -0.749
396 HA ALA 52 HA ALA 52 10.510 -4.192 -2.496
397 1HB ALA 52 HB2 ALA 52 10.532 -3.396 0.292
398 2HB ALA 52 HB1 ALA 52 9.224 -2.584 -0.569
399 3HB ALA 52 HB3 ALA 52 9.324 -4.345 -0.577
400 H SER 53 HN SER 53 8.624 -2.347 -2.782
401 HA SER 53 HA SER 53 9.311 0.393 -3.003
402 1HB SER 53 HB2 SER 53 11.073 -0.169 -4.486
403 2HB SER 53 HB1 SER 53 10.114 -1.407 -5.291
404 HG SER 53 HG SER 53 9.398 0.079 -6.584
405 H VAL 54 HN VAL 54 7.875 1.469 -4.814
406 HA VAL 54 HA VAL 54 5.190 1.073 -4.431
407 HB VAL 54 HB VAL 54 5.933 2.911 -5.735
408 1HG1 VAL 54 HG12 VAL 54 7.666 0.927 -6.879
409 2HG1 VAL 54 HG11 VAL 54 6.817 1.761 -8.180
410 3HG1 VAL 54 HG13 VAL 54 7.768 2.682 -7.015
411 1HG2 VAL 54 HG22 VAL 54 3.805 1.558 -6.531
412 2HG2 VAL 54 HG21 VAL 54 4.423 2.891 -7.505
413 3HG2 VAL 54 HG23 VAL 54 4.802 1.228 -7.947
414 H GLN 55 HN GLN 55 7.263 -0.867 -6.562
415 HA GLN 55 HA GLN 55 5.219 -2.254 -7.983
416 1HB GLN 55 HB2 GLN 55 7.950 -2.181 -7.928
417 2HB GLN 55 HB1 GLN 55 7.647 -3.752 -7.187
418 1HG GLN 55 HG2 GLN 55 7.526 -4.467 -9.348
419 2HG GLN 55 HG1 GLN 55 5.883 -3.834 -9.256
420 1HE2 GLN 55 HE22 GLN 55 6.650 -1.753 -11.997
421 2HE2 GLN 55 HE21 GLN 55 5.637 -2.954 -11.355
422 H LYS 56 HN LYS 56 6.944 -3.164 -4.983
423 HA LYS 56 HA LYS 56 5.240 -5.478 -4.523
424 1HB LYS 56 HB2 LYS 56 7.229 -3.975 -2.791
425 2HB LYS 56 HB1 LYS 56 6.552 -5.557 -2.403
426 1HG LYS 56 HG2 LYS 56 8.301 -4.844 -4.770
427 2HG LYS 56 HG1 LYS 56 8.694 -5.936 -3.441
428 1HD LYS 56 HD2 LYS 56 6.655 -7.311 -4.174
429 2HD LYS 56 HD1 LYS 56 6.672 -6.345 -5.650
430 1HE LYS 56 HE2 LYS 56 9.253 -7.020 -5.654
431 2HE LYS 56 HE1 LYS 56 8.641 -8.395 -4.713
432 1HZ LYS 56 HZ1 LYS 56 6.892 -8.663 -6.419
433 2HZ LYS 56 HZ3 LYS 56 7.644 -7.464 -7.353
434 3HZ LYS 56 HZ2 LYS 56 8.455 -8.922 -7.032
435 H LEU 57 HN LEU 57 4.981 -2.073 -3.743
436 HA LEU 57 HA LEU 57 3.268 -2.435 -1.413
437 1HB LEU 57 HB2 LEU 57 3.585 -0.123 -3.359
438 2HB LEU 57 HB1 LEU 57 2.901 -0.020 -1.743
439 HG LEU 57 HG LEU 57 5.751 -0.813 -2.395
440 1HD1 LEU 57 HD11 LEU 57 4.397 1.734 -1.974
441 2HD1 LEU 57 HD13 LEU 57 5.701 1.482 -0.814
442 3HD1 LEU 57 HD12 LEU 57 6.036 1.420 -2.545
443 1HD2 LEU 57 HD22 LEU 57 4.167 -0.630 0.168
444 2HD2 LEU 57 HD21 LEU 57 5.264 -1.906 -0.362
445 3HD2 LEU 57 HD23 LEU 57 5.909 -0.357 0.180
446 H THR 58 HN THR 58 2.610 -1.227 -4.707
447 HA THR 58 HA THR 58 -0.225 -1.494 -4.582
448 HB THR 58 HB THR 58 -0.060 -1.205 -6.997
449 HG1 THR 58 HG1 THR 58 1.740 -1.710 -8.087
450 1HG2 THR 58 HG22 THR 58 1.509 0.347 -5.112
451 2HG2 THR 58 HG21 THR 58 2.205 0.422 -6.731
452 3HG2 THR 58 HG23 THR 58 0.529 0.901 -6.469
453 H LYS 59 HN LYS 59 2.353 -3.809 -5.142
454 HA LYS 59 HA LYS 59 0.646 -5.853 -6.273
455 1HB LYS 59 HB2 LYS 59 2.996 -5.791 -6.820
456 2HB LYS 59 HB1 LYS 59 3.441 -5.780 -5.113
457 1HG LYS 59 HG2 LYS 59 3.205 -8.028 -4.913
458 2HG LYS 59 HG1 LYS 59 1.737 -8.050 -5.890
459 1HD LYS 59 HD2 LYS 59 3.319 -7.591 -7.896
460 2HD LYS 59 HD1 LYS 59 4.606 -8.120 -6.811
461 1HE LYS 59 HE2 LYS 59 2.289 -9.920 -6.755
462 2HE LYS 59 HE1 LYS 59 3.044 -9.813 -8.358
463 1HZ LYS 59 HZ2 LYS 59 5.227 -9.909 -7.001
464 2HZ LYS 59 HZ1 LYS 59 4.255 -10.600 -5.790
465 3HZ LYS 59 HZ3 LYS 59 4.382 -11.352 -7.304
466 H ALA 60 HN ALA 60 1.717 -4.921 -3.045
467 HA ALA 60 HA ALA 60 0.911 -7.362 -1.749
468 1HB ALA 60 HB3 ALA 60 2.349 -5.102 -1.121
469 2HB ALA 60 HB2 ALA 60 0.858 -4.842 -0.220
470 3HB ALA 60 HB1 ALA 60 1.814 -6.297 0.057
471 H THR 61 HN THR 61 -0.576 -4.151 -2.147
472 HA THR 61 HA THR 61 -3.056 -4.853 -0.834
473 HB THR 61 HB THR 61 -2.196 -2.542 -1.093
474 HG1 THR 61 HG1 THR 61 -4.183 -1.775 -2.338
475 1HG2 THR 61 HG23 THR 61 -2.574 -3.130 -4.039
476 2HG2 THR 61 HG22 THR 61 -2.326 -1.511 -3.389
477 3HG2 THR 61 HG21 THR 61 -1.065 -2.730 -3.219
478 H ALA 62 HN ALA 62 -1.751 -4.968 -4.033
479 HA ALA 62 HA ALA 62 -4.180 -5.533 -5.474
480 1HB ALA 62 HB1 ALA 62 -1.229 -6.003 -5.954
481 2HB ALA 62 HB3 ALA 62 -2.449 -6.426 -7.155
482 3HB ALA 62 HB2 ALA 62 -2.250 -4.747 -6.654
483 H ASP 63 HN ASP 63 -1.844 -7.496 -3.703
484 HA ASP 63 HA ASP 63 -3.120 -10.017 -4.589
485 1HB ASP 63 HB2 ASP 63 -0.606 -9.106 -3.438
486 2HB ASP 63 HB1 ASP 63 -1.245 -10.483 -2.544
487 H ALA 64 HN ALA 64 -3.567 -7.656 -2.194
488 HA ALA 64 HA ALA 64 -4.492 -9.449 -0.063
489 1HB ALA 64 HB1 ALA 64 -3.602 -6.836 -0.287
490 2HB ALA 64 HB3 ALA 64 -5.339 -6.627 -0.074
491 3HB ALA 64 HB2 ALA 64 -4.403 -7.505 1.135
492 H GLY 65 HN GLY 65 -5.784 -7.683 -2.791
493 1HA GLY 65 HA2 GLY 65 -7.937 -9.007 -3.537
494 2HA GLY 65 HA1 GLY 65 -8.553 -8.421 -1.997
495 H TYR 66 HN TYR 66 -6.421 -6.292 -3.814
496 HA TYR 66 HA TYR 66 -8.766 -4.877 -4.970
497 1HB TYR 66 HB2 TYR 66 -6.745 -3.578 -3.130
498 2HB TYR 66 HB1 TYR 66 -8.201 -2.843 -3.793
499 HD1 TYR 66 HD1 TYR 66 -10.424 -4.187 -3.287
500 HD2 TYR 66 HD2 TYR 66 -6.796 -4.403 -1.029
501 HE1 TYR 66 HE1 TYR 66 -11.704 -4.963 -1.325
502 HE2 TYR 66 HE2 TYR 66 -8.056 -5.168 0.942
503 HH TYR 66 HH TYR 66 -10.177 -5.339 1.832
504 HA PRO 67 HA PRO 67 -5.390 -4.642 -8.031
505 1HB PRO 67 HB2 PRO 67 -7.321 -3.235 -9.670
506 2HB PRO 67 HB1 PRO 67 -6.670 -4.859 -9.912
507 1HG PRO 67 HG2 PRO 67 -9.309 -4.145 -9.053
508 2HG PRO 67 HG1 PRO 67 -8.640 -5.766 -9.262
509 1HD PRO 67 HD2 PRO 67 -9.286 -4.440 -6.789
510 2HD PRO 67 HD1 PRO 67 -8.559 -6.054 -7.000
511 H SER 68 HN SER 68 -4.167 -3.033 -6.941
512 HA SER 68 HA SER 68 -5.343 -0.299 -6.806
513 1HB SER 68 HB2 SER 68 -4.426 -1.723 -4.839
514 2HB SER 68 HB1 SER 68 -2.837 -1.289 -5.462
515 HG SER 68 HG SER 68 -3.463 0.240 -3.958
516 H SER 69 HN SER 69 -3.414 1.378 -6.705
517 HA SER 69 HA SER 69 -1.456 0.948 -8.906
518 1HB SER 69 HB2 SER 69 -3.896 2.371 -9.085
519 2HB SER 69 HB1 SER 69 -2.640 3.598 -8.935
520 HG SER 69 HG SER 69 -2.473 3.198 -11.013
521 H VAL 70 HN VAL 70 -0.386 3.531 -8.835
522 HA VAL 70 HA VAL 70 0.179 4.028 -5.966
523 HB VAL 70 HB VAL 70 1.638 2.335 -7.246
524 1HG1 VAL 70 HG11 VAL 70 1.831 4.413 -9.042
525 2HG1 VAL 70 HG13 VAL 70 3.343 4.564 -8.148
526 3HG1 VAL 70 HG12 VAL 70 2.947 3.049 -8.961
527 1HG2 VAL 70 HG21 VAL 70 2.235 4.353 -5.275
528 2HG2 VAL 70 HG23 VAL 70 2.883 2.719 -5.403
529 3HG2 VAL 70 HG22 VAL 70 3.673 4.049 -6.248
530 H LYS 71 HN LYS 71 1.101 6.138 -5.538
531 HA LYS 71 HA LYS 71 0.860 8.022 -7.868
532 1HB LYS 71 HB2 LYS 71 0.258 8.787 -5.020
533 2HB LYS 71 HB1 LYS 71 -0.349 9.518 -6.504
534 1HG LYS 71 HG2 LYS 71 -1.171 6.828 -6.599
535 2HG LYS 71 HG1 LYS 71 -1.481 7.361 -4.949
536 1HD LYS 71 HD2 LYS 71 -2.317 9.517 -6.463
537 2HD LYS 71 HD1 LYS 71 -2.799 8.136 -7.447
538 1HE LYS 71 HE2 LYS 71 -3.653 7.213 -5.082
539 2HE LYS 71 HE1 LYS 71 -3.765 8.951 -4.738
540 1HZ LYS 71 HZ2 LYS 71 -4.714 8.890 -7.213
541 2HZ LYS 71 HZ1 LYS 71 -5.221 7.355 -6.690
542 3HZ LYS 71 HZ3 LYS 71 -5.710 8.742 -5.845
543 H GLN 72 HN GLN 72 3.071 6.589 -6.607
544 HA GLN 72 HA GLN 72 5.310 7.001 -5.900
545 1HB GLN 72 HB2 GLN 72 4.384 9.003 -7.826
546 2HB GLN 72 HB1 GLN 72 5.715 9.597 -6.833
547 1HG GLN 72 HG2 GLN 72 5.937 6.835 -7.950
548 2HG GLN 72 HG1 GLN 72 6.168 8.191 -9.054
549 1HE2 GLN 72 HE22 GLN 72 9.288 7.166 -6.919
550 2HE2 GLN 72 HE21 GLN 72 8.043 6.144 -7.452
No H/Q in entry = 550
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 -17.083 4.411 -1.229
2 2H ALA 1 HT3 ALA 1 -18.479 3.672 -0.613
3 3H ALA 1 HT2 ALA 1 -17.393 4.444 0.440
4 HA ALA 1 HA ALA 1 -16.403 2.481 0.762
5 1HB ALA 1 HB2 ALA 1 -18.468 1.898 -1.285
6 2HB ALA 1 HB1 ALA 1 -17.178 0.703 -1.150
7 3HB ALA 1 HB3 ALA 1 -18.161 1.102 0.259
8 H THR 2 HN THR 2 -14.862 4.307 -0.514
9 HA THR 2 HA THR 2 -12.994 2.725 -1.973
10 HB THR 2 HB THR 2 -14.389 3.076 -3.811
11 HG1 THR 2 HG1 THR 2 -13.134 5.309 -4.518
12 1HG2 THR 2 HG23 THR 2 -14.914 5.702 -2.502
13 2HG2 THR 2 HG22 THR 2 -15.104 5.600 -4.252
14 3HG2 THR 2 HG21 THR 2 -16.057 4.554 -3.200
15 H GLN 3 HN GLN 3 -11.481 3.459 -0.549
16 HA GLN 3 HA GLN 3 -11.145 6.426 -0.255
17 1HB GLN 3 HB2 GLN 3 -10.526 4.023 1.455
18 2HB GLN 3 HB1 GLN 3 -9.819 5.601 1.804
19 1HG GLN 3 HG2 GLN 3 -12.790 5.056 1.533
20 2HG GLN 3 HG1 GLN 3 -11.931 5.227 3.065
21 1HE2 GLN 3 HE22 GLN 3 -11.695 8.763 2.852
22 2HE2 GLN 3 HE21 GLN 3 -11.172 7.371 3.670
23 H THR 4 HN THR 4 -8.963 7.258 -0.103
24 HA THR 4 HA THR 4 -6.914 5.651 -1.598
25 HB THR 4 HB THR 4 -7.504 8.634 -1.633
26 HG1 THR 4 HG1 THR 4 -8.012 8.062 -3.868
27 1HG2 THR 4 HG23 THR 4 -5.482 6.956 -3.141
28 2HG2 THR 4 HG22 THR 4 -5.848 8.643 -3.504
29 3HG2 THR 4 HG21 THR 4 -5.131 8.211 -1.952
30 H VAL 5 HN VAL 5 -5.042 5.377 -0.396
31 HA VAL 5 HA VAL 5 -4.368 7.394 1.707
32 HB VAL 5 HB VAL 5 -5.515 5.761 2.921
33 1HG1 VAL 5 HG12 VAL 5 -5.644 4.150 0.972
34 2HG1 VAL 5 HG11 VAL 5 -4.033 3.589 1.420
35 3HG1 VAL 5 HG13 VAL 5 -5.383 3.378 2.532
36 1HG2 VAL 5 HG23 VAL 5 -3.271 6.210 3.855
37 2HG2 VAL 5 HG22 VAL 5 -3.796 4.566 4.209
38 3HG2 VAL 5 HG21 VAL 5 -2.627 4.858 2.924
39 H THR 6 HN THR 6 -2.210 6.999 2.562
40 HA THR 6 HA THR 6 -0.330 6.072 0.439
41 HB THR 6 HB THR 6 1.137 7.593 2.096
42 HG1 THR 6 HG1 THR 6 -0.322 9.303 2.795
43 1HG2 THR 6 HG23 THR 6 -0.857 8.578 0.049
44 2HG2 THR 6 HG22 THR 6 0.452 9.566 0.697
45 3HG2 THR 6 HG21 THR 6 0.821 8.119 -0.242
46 H LEU 7 HN LEU 7 1.596 4.878 1.328
47 HA LEU 7 HA LEU 7 1.017 3.643 3.987
48 1HB LEU 7 HB2 LEU 7 1.125 2.524 1.289
49 2HB LEU 7 HB1 LEU 7 2.223 1.693 2.390
50 HG LEU 7 HG LEU 7 0.481 1.082 3.854
51 1HD1 LEU 7 HD11 LEU 7 -1.091 3.250 2.492
52 2HD1 LEU 7 HD13 LEU 7 -1.882 2.004 3.454
53 3HD1 LEU 7 HD12 LEU 7 -0.711 3.080 4.200
54 1HD2 LEU 7 HD21 LEU 7 0.225 0.510 1.093
55 2HD2 LEU 7 HD23 LEU 7 -0.416 -0.434 2.438
56 3HD2 LEU 7 HD22 LEU 7 -1.404 0.819 1.687
57 H ALA 8 HN ALA 8 2.904 2.908 5.106
58 HA ALA 8 HA ALA 8 5.401 4.290 4.181
59 1HB ALA 8 HB2 ALA 8 4.152 4.831 6.373
60 2HB ALA 8 HB1 ALA 8 4.761 3.283 6.957
61 3HB ALA 8 HB3 ALA 8 5.890 4.556 6.492
62 H VAL 9 HN VAL 9 6.432 2.660 2.965
63 HA VAL 9 HA VAL 9 7.001 0.091 4.418
64 HB VAL 9 HB VAL 9 5.705 -0.332 2.444
65 1HG1 VAL 9 HG13 VAL 9 7.293 1.935 1.389
66 2HG1 VAL 9 HG12 VAL 9 6.956 0.651 0.228
67 3HG1 VAL 9 HG11 VAL 9 5.626 1.472 1.045
68 1HG2 VAL 9 HG23 VAL 9 8.466 -1.103 2.577
69 2HG2 VAL 9 HG22 VAL 9 7.116 -1.992 1.871
70 3HG2 VAL 9 HG21 VAL 9 8.034 -0.854 0.885
71 HA PRO 10 HA PRO 10 11.001 2.351 3.997
72 1HB PRO 10 HB2 PRO 10 11.807 1.433 6.531
73 2HB PRO 10 HB1 PRO 10 11.114 3.015 6.162
74 1HG PRO 10 HG2 PRO 10 9.910 0.817 7.623
75 2HG PRO 10 HG1 PRO 10 9.295 2.456 7.393
76 1HD PRO 10 HD2 PRO 10 8.401 0.016 6.107
77 2HD PRO 10 HD1 PRO 10 7.743 1.661 5.926
78 H GLY 11 HN GLY 11 10.412 -0.398 2.943
79 1HA GLY 11 HA2 GLY 11 12.526 -2.115 4.007
80 2HA GLY 11 HA1 GLY 11 11.518 -2.467 2.602
81 H MET 12 HN MET 12 12.133 0.247 1.481
82 HA MET 12 HA MET 12 13.574 0.907 -0.294
83 1HB MET 12 HB2 MET 12 15.754 1.586 0.721
84 2HB MET 12 HB1 MET 12 14.377 2.033 1.728
85 1HG MET 12 HG2 MET 12 14.752 0.181 3.210
86 2HG MET 12 HG1 MET 12 15.942 -0.529 2.120
87 1HE MET 12 HE1 MET 12 17.892 0.981 1.178
88 2HE MET 12 HE3 MET 12 19.065 1.454 2.415
89 3HE MET 12 HE2 MET 12 18.428 -0.188 2.382
90 H THR 13 HN THR 13 13.207 -1.487 -1.076
91 HA THR 13 HA THR 13 15.635 -3.168 -0.925
92 HB THR 13 HB THR 13 13.912 -4.322 -2.735
93 HG1 THR 13 HG1 THR 13 12.153 -3.376 -0.816
94 1HG2 THR 13 HG21 THR 13 14.075 -4.444 0.271
95 2HG2 THR 13 HG23 THR 13 12.993 -5.501 -0.634
96 3HG2 THR 13 HG22 THR 13 14.733 -5.577 -0.910
97 H CYS 14 HN CYS 14 15.217 -0.428 -2.422
98 HA CYS 14 HA CYS 14 16.229 0.529 -4.331
99 1HB CYS 14 HB2 CYS 14 17.633 -1.825 -3.696
100 2HB CYS 14 HB1 CYS 14 17.333 -1.926 -5.431
101 HG CYS 14 HG CYS 14 18.563 0.702 -4.295
102 H ALA 15 HN ALA 15 14.102 0.828 -5.271
103 HA ALA 15 HA ALA 15 12.507 0.574 -6.995
104 1HB ALA 15 HB2 ALA 15 15.091 -0.079 -7.932
105 2HB ALA 15 HB1 ALA 15 14.015 -1.313 -8.589
106 3HB ALA 15 HB3 ALA 15 13.698 0.393 -8.905
107 H ALA 16 HN ALA 16 12.552 -1.350 -4.707
108 HA ALA 16 HA ALA 16 11.082 -3.583 -6.064
109 1HB ALA 16 HB3 ALA 16 13.530 -3.615 -4.508
110 2HB ALA 16 HB2 ALA 16 12.291 -4.599 -3.728
111 3HB ALA 16 HB1 ALA 16 12.767 -4.935 -5.393
112 H CYS 17 HN CYS 17 11.683 -1.816 -3.029
113 HA CYS 17 HA CYS 17 9.606 -2.830 -1.426
114 1HB CYS 17 HB2 CYS 17 11.459 -0.712 -1.444
115 2HB CYS 17 HB1 CYS 17 9.886 0.045 -1.191
116 HG CYS 17 HG CYS 17 11.281 -1.892 0.762
117 HA PRO 18 HA PRO 18 6.629 0.447 -3.325
118 1HB PRO 18 HB2 PRO 18 7.593 1.580 -5.704
119 2HB PRO 18 HB1 PRO 18 7.604 2.337 -4.108
120 1HG PRO 18 HG2 PRO 18 9.850 1.319 -5.658
121 2HG PRO 18 HG1 PRO 18 9.867 2.295 -4.187
122 1HD PRO 18 HD2 PRO 18 10.453 -0.515 -4.441
123 2HD PRO 18 HD1 PRO 18 10.437 0.470 -2.958
124 H ILE 19 HN ILE 19 8.296 -1.951 -5.144
125 HA ILE 19 HA ILE 19 6.301 -2.036 -7.326
126 HB ILE 19 HB ILE 19 8.595 -3.902 -6.652
127 1HG1 ILE 19 HG12 ILE 19 9.209 -1.426 -6.822
128 2HG1 ILE 19 HG11 ILE 19 10.036 -2.499 -7.951
129 1HG2 ILE 19 HG21 ILE 19 6.994 -3.303 -9.143
130 2HG2 ILE 19 HG23 ILE 19 8.547 -4.138 -9.193
131 3HG2 ILE 19 HG22 ILE 19 7.189 -4.854 -8.325
132 1HD1 ILE 19 HD13 ILE 19 7.490 -1.532 -9.009
133 2HD1 ILE 19 HD12 ILE 19 8.602 -0.216 -8.634
134 3HD1 ILE 19 HD11 ILE 19 9.092 -1.496 -9.744
135 H THR 20 HN THR 20 7.388 -4.008 -4.593
136 HA THR 20 HA THR 20 5.341 -6.052 -4.967
137 HB THR 20 HB THR 20 7.667 -5.391 -3.261
138 HG1 THR 20 HG1 THR 20 6.520 -7.723 -4.378
139 1HG2 THR 20 HG21 THR 20 5.883 -5.589 -1.551
140 2HG2 THR 20 HG23 THR 20 5.480 -7.184 -2.185
141 3HG2 THR 20 HG22 THR 20 7.056 -6.901 -1.445
142 H VAL 21 HN VAL 21 5.957 -3.338 -2.737
143 HA VAL 21 HA VAL 21 3.665 -3.658 -1.095
144 HB VAL 21 HB VAL 21 5.393 -1.331 -1.952
145 1HG1 VAL 21 HG11 VAL 21 3.094 -0.500 -1.463
146 2HG1 VAL 21 HG13 VAL 21 3.180 -1.269 0.122
147 3HG1 VAL 21 HG12 VAL 21 4.275 0.055 -0.277
148 1HG2 VAL 21 HG23 VAL 21 5.452 -3.367 0.105
149 2HG2 VAL 21 HG22 VAL 21 6.687 -2.180 -0.313
150 3HG2 VAL 21 HG21 VAL 21 5.416 -1.763 0.835
151 H LYS 22 HN LYS 22 4.160 -1.834 -4.112
152 HA LYS 22 HA LYS 22 1.595 -0.635 -4.320
153 1HB LYS 22 HB2 LYS 22 3.395 -0.043 -5.806
154 2HB LYS 22 HB1 LYS 22 3.589 -1.715 -6.333
155 1HG LYS 22 HG2 LYS 22 1.203 -1.581 -7.222
156 2HG LYS 22 HG1 LYS 22 1.293 0.158 -6.941
157 1HD LYS 22 HD2 LYS 22 3.614 -0.201 -8.280
158 2HD LYS 22 HD1 LYS 22 2.656 -1.498 -8.994
159 1HE LYS 22 HE2 LYS 22 0.818 0.473 -9.104
160 2HE LYS 22 HE1 LYS 22 2.294 1.452 -9.213
161 1HZ LYS 22 HZ2 LYS 22 2.190 -1.030 -10.756
162 2HZ LYS 22 HZ1 LYS 22 1.269 0.277 -11.329
163 3HZ LYS 22 HZ3 LYS 22 2.944 0.446 -11.130
164 H LYS 23 HN LYS 23 2.711 -3.670 -5.863
165 HA LYS 23 HA LYS 23 0.014 -4.505 -6.531
166 1HB LYS 23 HB2 LYS 23 1.128 -6.345 -7.518
167 2HB LYS 23 HB1 LYS 23 2.305 -5.038 -7.626
168 1HG LYS 23 HG2 LYS 23 3.480 -5.855 -5.666
169 2HG LYS 23 HG1 LYS 23 2.235 -7.072 -5.379
170 1HD LYS 23 HD2 LYS 23 2.886 -7.671 -7.941
171 2HD LYS 23 HD1 LYS 23 4.436 -7.054 -7.369
172 1HE LYS 23 HE2 LYS 23 3.411 -8.732 -5.308
173 2HE LYS 23 HE1 LYS 23 3.258 -9.618 -6.839
174 1HZ LYS 23 HZ3 LYS 23 5.697 -8.103 -6.103
175 2HZ LYS 23 HZ2 LYS 23 5.503 -9.749 -5.729
176 3HZ LYS 23 HZ1 LYS 23 5.513 -9.238 -7.349
177 H ALA 24 HN ALA 24 1.413 -4.301 -3.533
178 HA ALA 24 HA ALA 24 0.536 -6.905 -2.525
179 1HB ALA 24 HB1 ALA 24 2.079 -4.544 -1.613
180 2HB ALA 24 HB3 ALA 24 1.195 -5.402 -0.353
181 3HB ALA 24 HB2 ALA 24 2.389 -6.256 -1.331
182 H LEU 25 HN LEU 25 -0.074 -3.629 -1.320
183 HA LEU 25 HA LEU 25 -2.608 -4.268 -0.191
184 1HB LEU 25 HB2 LEU 25 -2.853 -1.657 -0.402
185 2HB LEU 25 HB1 LEU 25 -1.665 -2.335 0.694
186 HG LEU 25 HG LEU 25 -1.046 -0.386 -0.944
187 1HD1 LEU 25 HD12 LEU 25 0.719 -2.724 -0.310
188 2HD1 LEU 25 HD11 LEU 25 1.307 -1.214 -0.997
189 3HD1 LEU 25 HD13 LEU 25 0.535 -1.226 0.581
190 1HD2 LEU 25 HD23 LEU 25 -1.773 -1.720 -2.960
191 2HD2 LEU 25 HD22 LEU 25 -0.194 -0.952 -3.050
192 3HD2 LEU 25 HD21 LEU 25 -0.308 -2.669 -2.740
193 H SER 26 HN SER 26 -1.566 -3.773 -3.410
194 HA SER 26 HA SER 26 -4.187 -2.969 -4.470
195 1HB SER 26 HB2 SER 26 -2.218 -2.256 -5.642
196 2HB SER 26 HB1 SER 26 -1.532 -3.876 -5.616
197 HG SER 26 HG SER 26 -2.433 -3.488 -7.635
198 H LYS 27 HN LYS 27 -2.269 -5.928 -4.048
199 HA LYS 27 HA LYS 27 -4.123 -7.610 -5.524
200 1HB LYS 27 HB2 LYS 27 -2.079 -8.644 -5.478
201 2HB LYS 27 HB1 LYS 27 -1.598 -7.787 -4.019
202 1HG LYS 27 HG2 LYS 27 -3.630 -9.995 -3.854
203 2HG LYS 27 HG1 LYS 27 -1.906 -10.373 -3.904
204 1HD LYS 27 HD2 LYS 27 -2.500 -8.188 -2.061
205 2HD LYS 27 HD1 LYS 27 -3.352 -9.671 -1.630
206 1HE LYS 27 HE2 LYS 27 -0.582 -10.202 -2.413
207 2HE LYS 27 HE1 LYS 27 -0.693 -9.109 -1.019
208 1HZ LYS 27 HZ1 LYS 27 -2.603 -11.275 -0.996
209 2HZ LYS 27 HZ3 LYS 27 -0.990 -11.786 -0.879
210 3HZ LYS 27 HZ2 LYS 27 -1.615 -10.686 0.254
211 H VAL 28 HN VAL 28 -4.174 -6.129 -2.488
212 HA VAL 28 HA VAL 28 -5.205 -7.785 -0.582
213 HB VAL 28 HB VAL 28 -6.010 -5.050 -1.548
214 1HG1 VAL 28 HG12 VAL 28 -7.515 -6.789 0.286
215 2HG1 VAL 28 HG11 VAL 28 -7.082 -5.229 0.988
216 3HG1 VAL 28 HG13 VAL 28 -8.013 -5.295 -0.509
217 1HG2 VAL 28 HG23 VAL 28 -3.898 -5.964 -0.082
218 2HG2 VAL 28 HG22 VAL 28 -4.549 -4.331 0.053
219 3HG2 VAL 28 HG21 VAL 28 -5.044 -5.575 1.201
220 H GLU 29 HN GLU 29 -7.729 -6.074 -2.443
221 HA GLU 29 HA GLU 29 -8.974 -8.501 -3.435
222 1HB GLU 29 HB2 GLU 29 -9.364 -7.649 -0.685
223 2HB GLU 29 HB1 GLU 29 -10.897 -7.721 -1.553
224 1HG GLU 29 HG2 GLU 29 -9.972 -10.021 -2.424
225 2HG GLU 29 HG1 GLU 29 -8.928 -9.919 -1.005
226 H GLY 30 HN GLY 30 -9.896 -5.268 -2.130
227 1HA GLY 30 HA2 GLY 30 -11.622 -4.943 -4.546
228 2HA GLY 30 HA1 GLY 30 -11.868 -4.093 -3.023
229 H VAL 31 HN VAL 31 -8.583 -4.275 -3.968
230 HA VAL 31 HA VAL 31 -7.983 -1.577 -3.998
231 HB VAL 31 HB VAL 31 -6.369 -3.429 -4.260
232 1HG1 VAL 31 HG13 VAL 31 -7.904 -3.776 -6.792
233 2HG1 VAL 31 HG12 VAL 31 -6.167 -4.060 -6.869
234 3HG1 VAL 31 HG11 VAL 31 -7.164 -4.992 -5.752
235 1HG2 VAL 31 HG23 VAL 31 -6.431 -1.108 -6.141
236 2HG2 VAL 31 HG22 VAL 31 -5.283 -1.479 -4.855
237 3HG2 VAL 31 HG21 VAL 31 -5.187 -2.331 -6.396
238 H SER 32 HN SER 32 -8.089 0.081 -5.362
239 HA SER 32 HA SER 32 -9.648 -0.273 -7.894
240 1HB SER 32 HB2 SER 32 -11.063 0.923 -6.457
241 2HB SER 32 HB1 SER 32 -9.718 1.742 -5.669
242 HG SER 32 HG SER 32 -9.418 2.923 -7.604
243 H LYS 33 HN LYS 33 -6.779 0.836 -6.394
244 HA LYS 33 HA LYS 33 -5.522 1.446 -8.935
245 1HB LYS 33 HB2 LYS 33 -6.578 3.480 -9.088
246 2HB LYS 33 HB1 LYS 33 -6.864 3.578 -7.356
247 1HG LYS 33 HG2 LYS 33 -4.629 4.326 -6.936
248 2HG LYS 33 HG1 LYS 33 -4.115 3.917 -8.574
249 1HD LYS 33 HD2 LYS 33 -6.299 5.641 -8.920
250 2HD LYS 33 HD1 LYS 33 -5.366 6.354 -7.604
251 1HE LYS 33 HE2 LYS 33 -3.300 6.138 -9.026
252 2HE LYS 33 HE1 LYS 33 -4.341 5.616 -10.365
253 1HZ LYS 33 HZ3 LYS 33 -5.674 7.748 -9.477
254 2HZ LYS 33 HZ2 LYS 33 -4.082 8.238 -9.142
255 3HZ LYS 33 HZ1 LYS 33 -4.530 7.820 -10.727
256 H VAL 34 HN VAL 34 -3.227 2.188 -8.583
257 HA VAL 34 HA VAL 34 -2.234 2.023 -5.790
258 HB VAL 34 HB VAL 34 -0.983 0.186 -7.801
259 1HG1 VAL 34 HG13 VAL 34 -0.480 0.737 -5.197
260 2HG1 VAL 34 HG12 VAL 34 -1.592 -0.619 -5.017
261 3HG1 VAL 34 HG11 VAL 34 -0.110 -0.815 -5.947
262 1HG2 VAL 34 HG23 VAL 34 -3.478 -0.210 -7.945
263 2HG2 VAL 34 HG22 VAL 34 -2.563 -1.594 -7.353
264 3HG2 VAL 34 HG21 VAL 34 -3.459 -0.582 -6.220
265 H ASP 35 HN ASP 35 -0.136 2.942 -5.564
266 HA ASP 35 HA ASP 35 1.400 3.698 -7.974
267 1HB ASP 35 HB2 ASP 35 -0.449 5.451 -6.560
268 2HB ASP 35 HB1 ASP 35 1.192 6.097 -6.529
269 H VAL 36 HN VAL 36 3.534 4.690 -7.277
270 HA VAL 36 HA VAL 36 4.230 3.913 -4.462
271 HB VAL 36 HB VAL 36 6.321 3.016 -5.380
272 1HG1 VAL 36 HG13 VAL 36 3.733 2.113 -6.644
273 2HG1 VAL 36 HG12 VAL 36 5.246 1.260 -6.950
274 3HG1 VAL 36 HG11 VAL 36 4.616 1.376 -5.307
275 1HG2 VAL 36 HG22 VAL 36 5.415 4.532 -7.724
276 2HG2 VAL 36 HG21 VAL 36 7.041 4.000 -7.294
277 3HG2 VAL 36 HG23 VAL 36 5.943 2.897 -8.124
278 H GLY 37 HN GLY 37 6.157 5.065 -3.624
279 1HA GLY 37 HA2 GLY 37 7.048 7.461 -5.081
280 2HA GLY 37 HA1 GLY 37 6.133 7.776 -3.607
281 H PHE 38 HN PHE 38 9.137 6.496 -4.894
282 HA PHE 38 HA PHE 38 10.254 5.525 -2.434
283 1HB PHE 38 HB2 PHE 38 10.971 5.903 -5.177
284 2HB PHE 38 HB1 PHE 38 12.261 6.578 -4.180
285 HD1 PHE 38 HD2 PHE 38 12.618 5.019 -1.913
286 HD2 PHE 38 HD1 PHE 38 11.308 3.682 -5.778
287 HE1 PHE 38 HE2 PHE 38 13.408 2.727 -1.387
288 HE2 PHE 38 HE1 PHE 38 12.097 1.389 -5.252
289 HZ PHE 38 HZ PHE 38 13.156 0.914 -3.061
290 H GLU 39 HN GLU 39 9.770 8.744 -3.676
291 HA GLU 39 HA GLU 39 11.807 10.224 -2.401
292 1HB GLU 39 HB2 GLU 39 10.232 11.240 -3.918
293 2HB GLU 39 HB1 GLU 39 8.865 10.758 -2.915
294 1HG GLU 39 HG2 GLU 39 9.020 12.836 -2.021
295 2HG GLU 39 HG1 GLU 39 10.415 12.206 -1.146
296 H LYS 40 HN LYS 40 9.104 8.495 -1.071
297 HA LYS 40 HA LYS 40 9.933 9.325 1.678
298 1HB LYS 40 HB2 LYS 40 7.288 9.531 0.285
299 2HB LYS 40 HB1 LYS 40 7.293 9.171 2.012
300 1HG LYS 40 HG2 LYS 40 9.106 11.355 1.178
301 2HG LYS 40 HG1 LYS 40 7.385 11.696 0.997
302 1HD LYS 40 HD2 LYS 40 7.299 12.124 3.203
303 2HD LYS 40 HD1 LYS 40 7.645 10.419 3.495
304 1HE LYS 40 HE2 LYS 40 9.327 11.727 4.667
305 2HE LYS 40 HE1 LYS 40 10.117 10.992 3.258
306 1HZ LYS 40 HZ3 LYS 40 9.445 13.061 2.018
307 2HZ LYS 40 HZ2 LYS 40 9.070 13.754 3.523
308 3HZ LYS 40 HZ1 LYS 40 10.663 13.272 3.179
309 H ARG 41 HN ARG 41 10.059 6.838 -0.234
310 HA ARG 41 HA ARG 41 9.680 4.503 -0.067
311 1HB ARG 41 HB2 ARG 41 10.928 5.682 2.209
312 2HB ARG 41 HB1 ARG 41 9.867 4.402 2.801
313 1HG ARG 41 HG2 ARG 41 11.826 3.216 2.331
314 2HG ARG 41 HG1 ARG 41 10.908 3.005 0.840
315 1HD ARG 41 HD2 ARG 41 13.166 3.651 0.219
316 2HD ARG 41 HD1 ARG 41 12.124 5.057 -0.066
317 HE ARG 41 HE ARG 41 12.944 5.294 2.596
318 1HH1 ARG 41 HH21 ARG 41 14.447 5.010 -0.503
319 2HH1 ARG 41 HH22 ARG 41 15.844 5.927 -0.050
320 1HH2 ARG 41 HH11 ARG 41 14.763 6.489 3.193
321 2HH2 ARG 41 HH12 ARG 41 16.024 6.761 2.037
322 H GLU 42 HN GLU 42 7.261 5.611 -0.409
323 HA GLU 42 HA GLU 42 5.520 4.108 1.483
324 1HB GLU 42 HB2 GLU 42 4.063 6.199 1.548
325 2HB GLU 42 HB1 GLU 42 5.610 6.349 2.380
326 1HG GLU 42 HG2 GLU 42 5.568 8.308 1.117
327 2HG GLU 42 HG1 GLU 42 6.454 7.224 0.045
328 H ALA 43 HN ALA 43 3.488 3.504 0.514
329 HA ALA 43 HA ALA 43 3.412 3.893 -2.464
330 1HB ALA 43 HB1 ALA 43 3.822 1.597 -1.498
331 2HB ALA 43 HB3 ALA 43 2.227 1.687 -0.750
332 3HB ALA 43 HB2 ALA 43 2.379 1.693 -2.507
333 H VAL 44 HN VAL 44 1.517 4.791 -3.320
334 HA VAL 44 HA VAL 44 -0.615 5.490 -1.337
335 HB VAL 44 HB VAL 44 0.675 7.270 -2.595
336 1HG1 VAL 44 HG12 VAL 44 0.484 5.641 -4.722
337 2HG1 VAL 44 HG11 VAL 44 -0.928 6.652 -5.026
338 3HG1 VAL 44 HG13 VAL 44 0.670 7.386 -4.889
339 1HG2 VAL 44 HG21 VAL 44 -2.015 7.126 -1.966
340 2HG2 VAL 44 HG23 VAL 44 -1.170 8.587 -2.476
341 3HG2 VAL 44 HG22 VAL 44 -2.043 7.615 -3.660
342 H VAL 45 HN VAL 45 -2.203 3.962 -1.433
343 HA VAL 45 HA VAL 45 -3.008 3.009 -4.159
344 HB VAL 45 HB VAL 45 -2.996 1.609 -1.476
345 1HG1 VAL 45 HG12 VAL 45 -4.671 1.108 -3.601
346 2HG1 VAL 45 HG11 VAL 45 -3.306 0.050 -3.958
347 3HG1 VAL 45 HG13 VAL 45 -4.160 -0.100 -2.422
348 1HG2 VAL 45 HG21 VAL 45 -0.997 2.038 -3.496
349 2HG2 VAL 45 HG23 VAL 45 -0.856 1.136 -1.989
350 3HG2 VAL 45 HG22 VAL 45 -1.416 0.330 -3.451
351 H THR 46 HN THR 46 -5.142 2.902 -4.610
352 HA THR 46 HA THR 46 -7.066 4.042 -2.624
353 HB THR 46 HB THR 46 -6.725 4.094 -5.618
354 HG1 THR 46 HG1 THR 46 -6.130 5.983 -4.917
355 1HG2 THR 46 HG21 THR 46 -9.303 4.204 -4.090
356 2HG2 THR 46 HG23 THR 46 -9.110 5.184 -5.543
357 3HG2 THR 46 HG22 THR 46 -8.956 3.431 -5.635
358 H PHE 47 HN PHE 47 -9.281 2.903 -2.768
359 HA PHE 47 HA PHE 47 -9.428 0.363 -4.149
360 1HB PHE 47 HB2 PHE 47 -9.223 -1.045 -2.138
361 2HB PHE 47 HB1 PHE 47 -7.744 -0.112 -2.385
362 HD1 PHE 47 HD2 PHE 47 -10.974 -0.164 -0.481
363 HD2 PHE 47 HD1 PHE 47 -7.006 1.471 -0.798
364 HE1 PHE 47 HE2 PHE 47 -11.240 0.900 1.728
365 HE2 PHE 47 HE1 PHE 47 -7.273 2.535 1.425
366 HZ PHE 47 HZ PHE 47 -9.382 2.250 2.688
367 H ASP 48 HN ASP 48 -11.224 -0.989 -2.981
368 HA ASP 48 HA ASP 48 -13.444 0.928 -2.390
369 1HB ASP 48 HB2 ASP 48 -13.596 -1.989 -3.214
370 2HB ASP 48 HB1 ASP 48 -14.879 -0.782 -3.305
371 H ASP 49 HN ASP 49 -13.825 1.040 -0.219
372 HA ASP 49 HA ASP 49 -12.699 -0.711 1.709
373 1HB ASP 49 HB2 ASP 49 -13.357 1.466 2.364
374 2HB ASP 49 HB1 ASP 49 -14.969 1.279 1.674
375 H THR 50 HN THR 50 -15.355 -1.232 -0.360
376 HA THR 50 HA THR 50 -17.037 -2.858 1.327
377 HB THR 50 HB THR 50 -17.619 -1.741 -0.853
378 HG1 THR 50 HG1 THR 50 -18.318 -4.147 0.026
379 1HG2 THR 50 HG21 THR 50 -15.332 -3.063 -1.739
380 2HG2 THR 50 HG23 THR 50 -16.658 -3.944 -2.499
381 3HG2 THR 50 HG22 THR 50 -16.495 -2.205 -2.749
382 H LYS 51 HN LYS 51 -13.962 -3.433 -0.084
383 HA LYS 51 HA LYS 51 -14.140 -6.313 0.669
384 1HB LYS 51 HB2 LYS 51 -13.378 -5.101 -1.996
385 2HB LYS 51 HB1 LYS 51 -12.884 -6.732 -1.542
386 1HG LYS 51 HG2 LYS 51 -15.253 -7.343 -1.178
387 2HG LYS 51 HG1 LYS 51 -15.739 -5.719 -1.664
388 1HD LYS 51 HD2 LYS 51 -13.990 -6.716 -3.677
389 2HD LYS 51 HD1 LYS 51 -15.175 -7.978 -3.337
390 1HE LYS 51 HE2 LYS 51 -17.015 -6.382 -3.683
391 2HE LYS 51 HE1 LYS 51 -15.844 -5.080 -3.975
392 1HZ LYS 51 HZ1 LYS 51 -14.873 -6.843 -5.632
393 2HZ LYS 51 HZ3 LYS 51 -16.467 -7.423 -5.628
394 3HZ LYS 51 HZ2 LYS 51 -16.147 -5.823 -6.101
395 H ALA 52 HN ALA 52 -12.624 -3.513 1.246
396 HA ALA 52 HA ALA 52 -10.200 -4.772 2.248
397 1HB ALA 52 HB3 ALA 52 -9.826 -4.634 -0.227
398 2HB ALA 52 HB2 ALA 52 -9.993 -2.882 -0.115
399 3HB ALA 52 HB1 ALA 52 -8.655 -3.694 0.698
400 H SER 53 HN SER 53 -8.548 -2.602 2.480
401 HA SER 53 HA SER 53 -9.688 -0.079 3.074
402 1HB SER 53 HB2 SER 53 -11.136 -1.006 4.660
403 2HB SER 53 HB1 SER 53 -9.969 -2.234 5.145
404 HG SER 53 HG SER 53 -10.412 0.169 6.208
405 H VAL 54 HN VAL 54 -8.214 1.239 4.477
406 HA VAL 54 HA VAL 54 -5.521 1.097 3.915
407 HB VAL 54 HB VAL 54 -7.269 2.296 5.948
408 1HG1 VAL 54 HG13 VAL 54 -4.385 1.691 6.638
409 2HG1 VAL 54 HG12 VAL 54 -5.250 3.058 7.342
410 3HG1 VAL 54 HG11 VAL 54 -5.820 1.413 7.625
411 1HG2 VAL 54 HG23 VAL 54 -4.897 3.109 4.283
412 2HG2 VAL 54 HG22 VAL 54 -6.574 3.631 4.124
413 3HG2 VAL 54 HG21 VAL 54 -5.595 4.202 5.477
414 H GLN 55 HN GLN 55 -7.063 -0.329 6.818
415 HA GLN 55 HA GLN 55 -4.862 -1.521 8.043
416 1HB GLN 55 HB2 GLN 55 -7.109 -1.560 8.963
417 2HB GLN 55 HB1 GLN 55 -7.693 -2.526 7.606
418 1HG GLN 55 HG2 GLN 55 -7.293 -3.927 9.611
419 2HG GLN 55 HG1 GLN 55 -6.231 -4.384 8.278
420 1HE2 GLN 55 HE22 GLN 55 -3.758 -4.186 10.884
421 2HE2 GLN 55 HE21 GLN 55 -4.801 -5.265 10.090
422 H LYS 56 HN LYS 56 -6.833 -2.860 5.387
423 HA LYS 56 HA LYS 56 -5.259 -5.269 5.104
424 1HB LYS 56 HB2 LYS 56 -7.322 -3.795 3.458
425 2HB LYS 56 HB1 LYS 56 -6.591 -5.296 2.888
426 1HG LYS 56 HG2 LYS 56 -8.082 -4.936 5.504
427 2HG LYS 56 HG1 LYS 56 -8.694 -5.765 4.073
428 1HD LYS 56 HD2 LYS 56 -6.216 -6.957 4.526
429 2HD LYS 56 HD1 LYS 56 -6.889 -6.746 6.143
430 1HE LYS 56 HE2 LYS 56 -8.864 -7.990 5.588
431 2HE LYS 56 HE1 LYS 56 -8.470 -7.966 3.858
432 1HZ LYS 56 HZ2 LYS 56 -6.712 -9.151 5.937
433 2HZ LYS 56 HZ1 LYS 56 -7.811 -10.057 5.010
434 3HZ LYS 56 HZ3 LYS 56 -6.523 -9.255 4.252
435 H LEU 57 HN LEU 57 -4.984 -2.015 3.714
436 HA LEU 57 HA LEU 57 -3.275 -2.765 1.508
437 1HB LEU 57 HB2 LEU 57 -3.418 -0.173 3.084
438 2HB LEU 57 HB1 LEU 57 -2.811 -0.363 1.442
439 HG LEU 57 HG LEU 57 -5.660 -0.980 2.273
440 1HD1 LEU 57 HD13 LEU 57 -4.382 1.519 1.995
441 2HD1 LEU 57 HD12 LEU 57 -5.302 1.284 0.508
442 3HD1 LEU 57 HD11 LEU 57 -6.118 1.216 2.071
443 1HD2 LEU 57 HD22 LEU 57 -4.767 -2.151 0.231
444 2HD2 LEU 57 HD21 LEU 57 -6.080 -1.032 -0.133
445 3HD2 LEU 57 HD23 LEU 57 -4.411 -0.572 -0.470
446 H THR 58 HN THR 58 -2.504 -1.157 4.609
447 HA THR 58 HA THR 58 0.309 -1.442 4.488
448 HB THR 58 HB THR 58 -0.756 -0.009 6.109
449 HG1 THR 58 HG1 THR 58 -0.038 -1.233 8.135
450 1HG2 THR 58 HG22 THR 58 -2.619 -2.110 6.270
451 2HG2 THR 58 HG21 THR 58 -1.912 -1.984 7.881
452 3HG2 THR 58 HG23 THR 58 -2.673 -0.577 7.140
453 H LYS 59 HN LYS 59 -2.230 -3.733 5.352
454 HA LYS 59 HA LYS 59 -0.494 -5.667 6.580
455 1HB LYS 59 HB2 LYS 59 -3.057 -5.335 6.725
456 2HB LYS 59 HB1 LYS 59 -3.119 -6.209 5.194
457 1HG LYS 59 HG2 LYS 59 -1.690 -8.006 6.361
458 2HG LYS 59 HG1 LYS 59 -2.117 -7.195 7.868
459 1HD LYS 59 HD2 LYS 59 -4.387 -7.712 7.660
460 2HD LYS 59 HD1 LYS 59 -4.277 -7.939 5.913
461 1HE LYS 59 HE2 LYS 59 -4.506 -10.124 7.060
462 2HE LYS 59 HE1 LYS 59 -2.909 -9.997 6.298
463 1HZ LYS 59 HZ3 LYS 59 -3.215 -8.932 9.003
464 2HZ LYS 59 HZ2 LYS 59 -3.169 -10.621 8.836
465 3HZ LYS 59 HZ1 LYS 59 -1.872 -9.673 8.281
466 H ALA 60 HN ALA 60 -1.612 -5.039 3.273
467 HA ALA 60 HA ALA 60 -0.677 -7.494 2.142
468 1HB ALA 60 HB2 ALA 60 -2.281 -5.600 1.298
469 2HB ALA 60 HB1 ALA 60 -0.797 -4.863 0.694
470 3HB ALA 60 HB3 ALA 60 -1.285 -6.459 0.123
471 H THR 61 HN THR 61 0.827 -4.292 2.570
472 HA THR 61 HA THR 61 3.279 -5.010 1.204
473 HB THR 61 HB THR 61 2.563 -2.688 1.432
474 HG1 THR 61 HG1 THR 61 4.723 -3.019 3.219
475 1HG2 THR 61 HG23 THR 61 2.575 -3.365 4.372
476 2HG2 THR 61 HG22 THR 61 2.656 -1.698 3.806
477 3HG2 THR 61 HG21 THR 61 1.257 -2.695 3.411
478 H ALA 62 HN ALA 62 2.028 -5.167 4.438
479 HA ALA 62 HA ALA 62 4.454 -5.748 5.839
480 1HB ALA 62 HB2 ALA 62 1.615 -5.605 6.288
481 2HB ALA 62 HB1 ALA 62 2.230 -7.090 7.014
482 3HB ALA 62 HB3 ALA 62 2.911 -5.533 7.482
483 H ASP 63 HN ASP 63 2.095 -7.737 4.091
484 HA ASP 63 HA ASP 63 3.563 -10.219 4.754
485 1HB ASP 63 HB2 ASP 63 0.920 -9.397 3.918
486 2HB ASP 63 HB1 ASP 63 1.532 -10.637 2.822
487 H ALA 64 HN ALA 64 3.757 -7.744 2.468
488 HA ALA 64 HA ALA 64 4.552 -9.392 0.171
489 1HB ALA 64 HB1 ALA 64 3.706 -6.747 0.714
490 2HB ALA 64 HB3 ALA 64 5.351 -6.605 0.098
491 3HB ALA 64 HB2 ALA 64 4.116 -7.420 -0.863
492 H GLY 65 HN GLY 65 6.001 -7.853 2.935
493 1HA GLY 65 HA2 GLY 65 8.261 -9.026 3.431
494 2HA GLY 65 HA1 GLY 65 8.718 -8.422 1.842
495 H TYR 66 HN TYR 66 6.682 -6.344 3.766
496 HA TYR 66 HA TYR 66 9.053 -4.857 4.781
497 1HB TYR 66 HB2 TYR 66 6.899 -3.620 3.055
498 2HB TYR 66 HB1 TYR 66 8.366 -2.843 3.636
499 HD1 TYR 66 HD1 TYR 66 10.601 -4.092 2.991
500 HD2 TYR 66 HD2 TYR 66 6.850 -4.476 0.964
501 HE1 TYR 66 HE1 TYR 66 11.788 -4.804 0.950
502 HE2 TYR 66 HE2 TYR 66 8.015 -5.181 -1.086
503 HH TYR 66 HH TYR 66 10.527 -4.759 -2.022
504 HA PRO 67 HA PRO 67 5.856 -4.574 8.005
505 1HB PRO 67 HB2 PRO 67 7.805 -3.208 9.617
506 2HB PRO 67 HB1 PRO 67 7.252 -4.877 9.785
507 1HG PRO 67 HG2 PRO 67 9.808 -3.948 8.845
508 2HG PRO 67 HG1 PRO 67 9.261 -5.615 9.046
509 1HD PRO 67 HD2 PRO 67 9.679 -4.183 6.579
510 2HD PRO 67 HD1 PRO 67 9.103 -5.856 6.784
511 H SER 68 HN SER 68 4.675 -2.949 6.794
512 HA SER 68 HA SER 68 5.765 -0.173 6.912
513 1HB SER 68 HB2 SER 68 5.222 -0.356 4.725
514 2HB SER 68 HB1 SER 68 4.333 -1.847 5.010
515 HG SER 68 HG SER 68 2.562 -0.583 5.664
516 H SER 69 HN SER 69 3.590 1.355 6.641
517 HA SER 69 HA SER 69 1.590 0.656 8.725
518 1HB SER 69 HB2 SER 69 3.757 2.668 8.806
519 2HB SER 69 HB1 SER 69 2.168 3.299 9.229
520 HG SER 69 HG SER 69 3.818 1.761 10.672
521 H VAL 70 HN VAL 70 0.276 3.130 8.671
522 HA VAL 70 HA VAL 70 -0.209 3.642 5.785
523 HB VAL 70 HB VAL 70 -1.575 1.812 6.977
524 1HG1 VAL 70 HG11 VAL 70 -2.024 3.811 8.803
525 2HG1 VAL 70 HG13 VAL 70 -3.490 3.893 7.826
526 3HG1 VAL 70 HG12 VAL 70 -3.043 2.383 8.620
527 1HG2 VAL 70 HG21 VAL 70 -2.248 3.789 4.996
528 2HG2 VAL 70 HG23 VAL 70 -2.794 2.115 5.099
529 3HG2 VAL 70 HG22 VAL 70 -3.697 3.390 5.917
530 H LYS 71 HN LYS 71 -1.250 5.684 5.342
531 HA LYS 71 HA LYS 71 -1.183 7.566 7.685
532 1HB LYS 71 HB2 LYS 71 -0.823 8.423 4.829
533 2HB LYS 71 HB1 LYS 71 -0.176 9.163 6.292
534 1HG LYS 71 HG2 LYS 71 0.901 6.585 6.288
535 2HG LYS 71 HG1 LYS 71 0.992 7.104 4.604
536 1HD LYS 71 HD2 LYS 71 1.723 9.269 6.375
537 2HD LYS 71 HD1 LYS 71 2.711 7.845 6.704
538 1HE LYS 71 HE2 LYS 71 3.616 7.811 4.536
539 2HE LYS 71 HE1 LYS 71 2.265 8.742 3.857
540 1HZ LYS 71 HZ1 LYS 71 4.042 9.846 5.951
541 2HZ LYS 71 HZ3 LYS 71 4.398 10.015 4.302
542 3HZ LYS 71 HZ2 LYS 71 2.969 10.683 4.933
543 H GLN 72 HN GLN 72 -3.306 5.931 6.449
544 HA GLN 72 HA GLN 72 -5.580 6.154 5.750
545 1HB GLN 72 HB2 GLN 72 -5.000 7.450 8.088
546 2HB GLN 72 HB1 GLN 72 -5.716 8.760 7.148
547 1HG GLN 72 HG2 GLN 72 -7.075 6.087 7.186
548 2HG GLN 72 HG1 GLN 72 -7.261 7.163 8.571
549 1HE2 GLN 72 HE22 GLN 72 -9.810 8.898 6.880
550 2HE2 GLN 72 HE21 GLN 72 -9.267 8.178 8.318
No H/Q in entry = 550
Start of MODEL 9
1 1H ALA 1 HT3 ALA 1 17.828 3.876 0.675
2 2H ALA 1 HT2 ALA 1 18.684 3.212 -0.632
3 3H ALA 1 HT1 ALA 1 17.942 4.732 -0.784
4 HA ALA 1 HA ALA 1 16.281 3.578 -1.766
5 1HB ALA 1 HB1 ALA 1 17.672 1.342 -0.306
6 2HB ALA 1 HB3 ALA 1 16.108 1.054 -1.067
7 3HB ALA 1 HB2 ALA 1 17.481 1.577 -2.043
8 H THR 2 HN THR 2 14.862 4.945 -0.489
9 HA THR 2 HA THR 2 13.211 3.509 1.405
10 HB THR 2 HB THR 2 14.679 4.276 3.001
11 HG1 THR 2 HG1 THR 2 12.595 5.141 3.374
12 1HG2 THR 2 HG21 THR 2 15.035 6.741 1.292
13 2HG2 THR 2 HG23 THR 2 15.747 6.558 2.894
14 3HG2 THR 2 HG22 THR 2 16.225 5.473 1.588
15 H GLN 3 HN GLN 3 11.587 3.850 -0.088
16 HA GLN 3 HA GLN 3 10.956 6.695 -0.793
17 1HB GLN 3 HB2 GLN 3 10.913 4.106 -2.134
18 2HB GLN 3 HB1 GLN 3 9.395 4.980 -2.341
19 1HG GLN 3 HG2 GLN 3 11.342 6.944 -2.675
20 2HG GLN 3 HG1 GLN 3 12.018 5.536 -3.493
21 1HE2 GLN 3 HE22 GLN 3 8.352 6.853 -4.840
22 2HE2 GLN 3 HE21 GLN 3 8.690 6.924 -3.178
23 H THR 4 HN THR 4 8.887 7.513 -0.520
24 HA THR 4 HA THR 4 6.973 5.895 1.130
25 HB THR 4 HB THR 4 7.507 8.885 1.197
26 HG1 THR 4 HG1 THR 4 8.492 6.732 2.731
27 1HG2 THR 4 HG22 THR 4 5.240 7.913 1.936
28 2HG2 THR 4 HG21 THR 4 6.128 7.187 3.275
29 3HG2 THR 4 HG23 THR 4 6.088 8.941 3.091
30 H VAL 5 HN VAL 5 5.377 5.390 -0.372
31 HA VAL 5 HA VAL 5 4.361 7.590 -2.140
32 HB VAL 5 HB VAL 5 3.850 5.559 -3.603
33 1HG1 VAL 5 HG11 VAL 5 5.775 7.170 -3.906
34 2HG1 VAL 5 HG13 VAL 5 6.773 6.031 -3.001
35 3HG1 VAL 5 HG12 VAL 5 6.068 5.553 -4.546
36 1HG2 VAL 5 HG21 VAL 5 4.261 4.022 -1.541
37 2HG2 VAL 5 HG23 VAL 5 4.829 3.484 -3.120
38 3HG2 VAL 5 HG22 VAL 5 5.963 4.190 -1.969
39 H THR 6 HN THR 6 2.073 7.268 -2.743
40 HA THR 6 HA THR 6 0.506 6.044 -0.530
41 HB THR 6 HB THR 6 -1.232 7.600 -1.820
42 HG1 THR 6 HG1 THR 6 0.259 9.482 -2.429
43 1HG2 THR 6 HG21 THR 6 0.025 7.791 0.518
44 2HG2 THR 6 HG23 THR 6 0.838 9.122 -0.306
45 3HG2 THR 6 HG22 THR 6 -0.916 9.137 -0.127
46 H LEU 7 HN LEU 7 -1.469 4.846 -1.314
47 HA LEU 7 HA LEU 7 -1.119 3.862 -4.115
48 1HB LEU 7 HB2 LEU 7 -0.885 2.521 -1.537
49 2HB LEU 7 HB1 LEU 7 -2.067 1.731 -2.576
50 HG LEU 7 HG LEU 7 -0.482 1.361 -4.281
51 1HD1 LEU 7 HD12 LEU 7 1.139 3.447 -2.863
52 2HD1 LEU 7 HD11 LEU 7 1.892 2.322 -3.994
53 3HD1 LEU 7 HD13 LEU 7 0.618 3.403 -4.542
54 1HD2 LEU 7 HD23 LEU 7 -0.027 0.370 -1.742
55 2HD2 LEU 7 HD22 LEU 7 0.778 -0.197 -3.202
56 3HD2 LEU 7 HD21 LEU 7 1.551 1.018 -2.186
57 H ALA 8 HN ALA 8 -3.074 2.958 -5.033
58 HA ALA 8 HA ALA 8 -5.550 4.155 -3.820
59 1HB ALA 8 HB2 ALA 8 -4.294 4.430 -6.325
60 2HB ALA 8 HB1 ALA 8 -5.719 3.436 -6.625
61 3HB ALA 8 HB3 ALA 8 -5.893 5.023 -5.877
62 H VAL 9 HN VAL 9 -6.904 2.622 -2.978
63 HA VAL 9 HA VAL 9 -6.871 -0.143 -4.145
64 HB VAL 9 HB VAL 9 -8.139 0.736 -1.549
65 1HG1 VAL 9 HG11 VAL 9 -8.546 -1.551 -2.403
66 2HG1 VAL 9 HG13 VAL 9 -6.808 -1.849 -2.371
67 3HG1 VAL 9 HG12 VAL 9 -7.680 -1.551 -0.867
68 1HG2 VAL 9 HG22 VAL 9 -5.778 1.591 -1.631
69 2HG2 VAL 9 HG21 VAL 9 -6.061 0.399 -0.362
70 3HG2 VAL 9 HG23 VAL 9 -5.239 -0.074 -1.849
71 HA PRO 10 HA PRO 10 -10.901 1.469 -5.582
72 1HB PRO 10 HB2 PRO 10 -11.020 -0.560 -7.539
73 2HB PRO 10 HB1 PRO 10 -10.471 1.102 -7.777
74 1HG PRO 10 HG2 PRO 10 -8.897 -1.329 -7.782
75 2HG PRO 10 HG1 PRO 10 -8.380 0.316 -8.159
76 1HD PRO 10 HD2 PRO 10 -7.831 -1.221 -5.764
77 2HD PRO 10 HD1 PRO 10 -7.264 0.417 -6.173
78 H GLY 11 HN GLY 11 -10.452 -0.657 -3.378
79 1HA GLY 11 HA2 GLY 11 -12.570 -2.609 -4.025
80 2HA GLY 11 HA1 GLY 11 -11.553 -2.625 -2.581
81 H MET 12 HN MET 12 -11.853 -0.355 -1.331
82 HA MET 12 HA MET 12 -13.337 0.823 0.083
83 1HB MET 12 HB2 MET 12 -13.734 1.532 -2.475
84 2HB MET 12 HB1 MET 12 -15.314 0.810 -2.169
85 1HG MET 12 HG2 MET 12 -14.380 2.573 -0.011
86 2HG MET 12 HG1 MET 12 -14.627 3.400 -1.548
87 1HE MET 12 HE2 MET 12 -16.369 2.876 -3.044
88 2HE MET 12 HE1 MET 12 -18.054 2.540 -2.657
89 3HE MET 12 HE3 MET 12 -17.362 4.130 -2.305
90 H THR 13 HN THR 13 -13.422 -1.846 0.544
91 HA THR 13 HA THR 13 -16.101 -2.957 0.299
92 HB THR 13 HB THR 13 -13.570 -3.897 0.624
93 HG1 THR 13 HG1 THR 13 -14.764 -5.877 1.356
94 1HG2 THR 13 HG21 THR 13 -14.857 -3.940 3.358
95 2HG2 THR 13 HG23 THR 13 -13.525 -4.992 2.886
96 3HG2 THR 13 HG22 THR 13 -13.298 -3.244 2.914
97 H CYS 14 HN CYS 14 -14.978 -0.449 2.089
98 HA CYS 14 HA CYS 14 -16.053 0.762 3.801
99 1HB CYS 14 HB2 CYS 14 -18.024 -0.767 2.991
100 2HB CYS 14 HB1 CYS 14 -17.682 -1.678 4.463
101 HG CYS 14 HG CYS 14 -17.884 1.215 5.198
102 H ALA 15 HN ALA 15 -14.157 0.788 5.033
103 HA ALA 15 HA ALA 15 -12.946 0.433 7.026
104 1HB ALA 15 HB1 ALA 15 -15.417 0.130 7.741
105 2HB ALA 15 HB3 ALA 15 -15.058 -1.597 7.733
106 3HB ALA 15 HB2 ALA 15 -14.169 -0.516 8.806
107 H ALA 16 HN ALA 16 -12.331 -1.203 4.644
108 HA ALA 16 HA ALA 16 -10.761 -3.262 6.016
109 1HB ALA 16 HB2 ALA 16 -13.379 -3.828 4.924
110 2HB ALA 16 HB1 ALA 16 -12.147 -4.772 4.083
111 3HB ALA 16 HB3 ALA 16 -12.306 -4.890 5.834
112 H CYS 17 HN CYS 17 -11.938 -1.969 2.903
113 HA CYS 17 HA CYS 17 -10.150 -3.062 1.096
114 1HB CYS 17 HB2 CYS 17 -11.465 -1.593 -0.004
115 2HB CYS 17 HB1 CYS 17 -11.712 -0.621 1.438
116 HG CYS 17 HG CYS 17 -9.180 0.356 0.781
117 HA PRO 18 HA PRO 18 -6.653 -0.077 2.413
118 1HB PRO 18 HB2 PRO 18 -7.182 1.558 4.582
119 2HB PRO 18 HB1 PRO 18 -7.450 2.007 2.893
120 1HG PRO 18 HG2 PRO 18 -9.423 1.407 4.980
121 2HG PRO 18 HG1 PRO 18 -9.653 2.212 3.424
122 1HD PRO 18 HD2 PRO 18 -10.346 -0.500 4.122
123 2HD PRO 18 HD1 PRO 18 -10.536 0.308 2.548
124 H ILE 19 HN ILE 19 -8.468 -1.771 4.859
125 HA ILE 19 HA ILE 19 -6.358 -1.761 6.887
126 HB ILE 19 HB ILE 19 -8.899 -3.371 6.487
127 1HG1 ILE 19 HG12 ILE 19 -8.308 -0.976 8.258
128 2HG1 ILE 19 HG11 ILE 19 -9.184 -0.900 6.729
129 1HG2 ILE 19 HG22 ILE 19 -7.045 -4.317 8.030
130 2HG2 ILE 19 HG21 ILE 19 -7.434 -2.962 9.090
131 3HG2 ILE 19 HG23 ILE 19 -8.669 -4.159 8.699
132 1HD1 ILE 19 HD13 ILE 19 -10.605 -2.845 7.905
133 2HD1 ILE 19 HD12 ILE 19 -10.049 -2.010 9.356
134 3HD1 ILE 19 HD11 ILE 19 -10.984 -1.138 8.141
135 H THR 20 HN THR 20 -7.776 -4.290 4.803
136 HA THR 20 HA THR 20 -5.850 -6.311 5.397
137 HB THR 20 HB THR 20 -8.090 -5.723 3.622
138 HG1 THR 20 HG1 THR 20 -6.942 -8.147 4.539
139 1HG2 THR 20 HG22 THR 20 -6.400 -5.908 1.847
140 2HG2 THR 20 HG21 THR 20 -5.887 -7.466 2.493
141 3HG2 THR 20 HG23 THR 20 -7.504 -7.283 1.812
142 H VAL 21 HN VAL 21 -6.074 -3.715 3.017
143 HA VAL 21 HA VAL 21 -3.784 -4.402 1.479
144 HB VAL 21 HB VAL 21 -5.360 -1.900 2.078
145 1HG1 VAL 21 HG13 VAL 21 -2.750 -2.165 0.643
146 2HG1 VAL 21 HG12 VAL 21 -3.963 -1.084 -0.041
147 3HG1 VAL 21 HG11 VAL 21 -3.372 -0.819 1.598
148 1HG2 VAL 21 HG23 VAL 21 -4.987 -3.702 -0.330
149 2HG2 VAL 21 HG22 VAL 21 -6.444 -3.513 0.639
150 3HG2 VAL 21 HG21 VAL 21 -5.887 -2.187 -0.382
151 H LYS 22 HN LYS 22 -4.263 -2.385 4.361
152 HA LYS 22 HA LYS 22 -1.670 -1.307 4.662
153 1HB LYS 22 HB2 LYS 22 -3.462 -0.635 6.102
154 2HB LYS 22 HB1 LYS 22 -3.758 -2.294 6.620
155 1HG LYS 22 HG2 LYS 22 -2.095 -2.240 8.167
156 2HG LYS 22 HG1 LYS 22 -1.007 -1.349 7.101
157 1HD LYS 22 HD2 LYS 22 -2.355 0.718 7.543
158 2HD LYS 22 HD1 LYS 22 -3.302 -0.198 8.716
159 1HE LYS 22 HE2 LYS 22 -0.280 0.043 8.877
160 2HE LYS 22 HE1 LYS 22 -1.390 1.128 9.737
161 1HZ LYS 22 HZ1 LYS 22 -2.488 -1.218 10.296
162 2HZ LYS 22 HZ3 LYS 22 -0.869 -1.706 10.165
163 3HZ LYS 22 HZ2 LYS 22 -1.304 -0.503 11.283
164 H LYS 23 HN LYS 23 -2.902 -4.528 5.570
165 HA LYS 23 HA LYS 23 -0.441 -5.378 6.840
166 1HB LYS 23 HB2 LYS 23 -2.611 -7.084 5.610
167 2HB LYS 23 HB1 LYS 23 -1.563 -7.497 6.967
168 1HG LYS 23 HG2 LYS 23 -2.592 -5.472 8.166
169 2HG LYS 23 HG1 LYS 23 -3.817 -5.490 6.897
170 1HD LYS 23 HD2 LYS 23 -3.183 -7.682 8.885
171 2HD LYS 23 HD1 LYS 23 -4.702 -6.806 8.691
172 1HE LYS 23 HE2 LYS 23 -4.386 -7.817 6.170
173 2HE LYS 23 HE1 LYS 23 -3.657 -9.106 7.148
174 1HZ LYS 23 HZ3 LYS 23 -5.610 -8.993 8.616
175 2HZ LYS 23 HZ2 LYS 23 -6.324 -7.862 7.569
176 3HZ LYS 23 HZ1 LYS 23 -6.025 -9.447 7.035
177 H ALA 24 HN ALA 24 -1.603 -5.384 3.560
178 HA ALA 24 HA ALA 24 0.153 -7.386 2.521
179 1HB ALA 24 HB3 ALA 24 -1.902 -5.624 1.665
180 2HB ALA 24 HB2 ALA 24 -0.522 -5.360 0.601
181 3HB ALA 24 HB1 ALA 24 -1.207 -6.977 0.772
182 H LEU 25 HN LEU 25 0.318 -3.818 2.291
183 HA LEU 25 HA LEU 25 2.933 -3.705 1.137
184 1HB LEU 25 HB2 LEU 25 1.393 -1.739 2.854
185 2HB LEU 25 HB1 LEU 25 2.725 -1.333 1.771
186 HG LEU 25 HG LEU 25 1.089 -2.728 0.089
187 1HD1 LEU 25 HD12 LEU 25 -0.515 -1.869 2.353
188 2HD1 LEU 25 HD11 LEU 25 -1.079 -1.153 0.842
189 3HD1 LEU 25 HD13 LEU 25 -0.955 -2.905 0.994
190 1HD2 LEU 25 HD21 LEU 25 1.901 -0.017 0.571
191 2HD2 LEU 25 HD23 LEU 25 1.464 -0.775 -0.959
192 3HD2 LEU 25 HD22 LEU 25 0.219 -0.026 0.041
193 H SER 26 HN SER 26 1.840 -3.616 4.518
194 HA SER 26 HA SER 26 4.423 -2.936 5.630
195 1HB SER 26 HB2 SER 26 3.296 -3.292 7.704
196 2HB SER 26 HB1 SER 26 2.048 -2.713 6.604
197 HG SER 26 HG SER 26 1.623 -5.002 6.196
198 H LYS 27 HN LYS 27 2.895 -5.956 4.648
199 HA LYS 27 HA LYS 27 5.069 -7.453 5.980
200 1HB LYS 27 HB2 LYS 27 3.468 -9.015 6.295
201 2HB LYS 27 HB1 LYS 27 2.323 -7.874 5.611
202 1HG LYS 27 HG2 LYS 27 3.964 -9.739 3.884
203 2HG LYS 27 HG1 LYS 27 2.390 -10.193 4.533
204 1HD LYS 27 HD2 LYS 27 1.862 -7.710 3.491
205 2HD LYS 27 HD1 LYS 27 3.048 -8.337 2.344
206 1HE LYS 27 HE2 LYS 27 0.745 -8.973 1.667
207 2HE LYS 27 HE1 LYS 27 1.685 -10.413 2.103
208 1HZ LYS 27 HZ2 LYS 27 0.562 -9.268 4.429
209 2HZ LYS 27 HZ1 LYS 27 -0.670 -9.521 3.287
210 3HZ LYS 27 HZ3 LYS 27 0.305 -10.817 3.779
211 H VAL 28 HN VAL 28 4.507 -6.005 3.033
212 HA VAL 28 HA VAL 28 5.193 -7.724 0.980
213 HB VAL 28 HB VAL 28 5.824 -4.897 1.723
214 1HG1 VAL 28 HG12 VAL 28 7.227 -6.461 -0.434
215 2HG1 VAL 28 HG11 VAL 28 6.872 -4.751 -0.679
216 3HG1 VAL 28 HG13 VAL 28 7.890 -5.256 0.670
217 1HG2 VAL 28 HG21 VAL 28 4.417 -6.300 -0.562
218 2HG2 VAL 28 HG23 VAL 28 3.681 -5.362 0.736
219 3HG2 VAL 28 HG22 VAL 28 4.649 -4.553 -0.495
220 H GLU 29 HN GLU 29 7.782 -5.808 2.512
221 HA GLU 29 HA GLU 29 9.437 -7.951 3.382
222 1HB GLU 29 HB2 GLU 29 9.263 -7.457 0.502
223 2HB GLU 29 HB1 GLU 29 10.923 -7.375 1.096
224 1HG GLU 29 HG2 GLU 29 9.664 -9.590 2.371
225 2HG GLU 29 HG1 GLU 29 9.316 -9.701 0.644
226 H GLY 30 HN GLY 30 10.266 -5.238 1.214
227 1HA GLY 30 HA2 GLY 30 12.197 -4.224 3.160
228 2HA GLY 30 HA1 GLY 30 11.830 -3.500 1.592
229 H VAL 31 HN VAL 31 8.865 -3.687 2.408
230 HA VAL 31 HA VAL 31 8.434 -1.016 3.189
231 HB VAL 31 HB VAL 31 6.760 -3.461 3.826
232 1HG1 VAL 31 HG12 VAL 31 6.313 -0.504 3.858
233 2HG1 VAL 31 HG11 VAL 31 4.985 -1.531 3.320
234 3HG1 VAL 31 HG13 VAL 31 5.668 -1.744 4.932
235 1HG2 VAL 31 HG21 VAL 31 7.191 -1.828 1.329
236 2HG2 VAL 31 HG23 VAL 31 7.119 -3.581 1.503
237 3HG2 VAL 31 HG22 VAL 31 5.642 -2.623 1.608
238 H SER 32 HN SER 32 8.528 0.053 5.019
239 HA SER 32 HA SER 32 9.010 -1.477 7.554
240 1HB SER 32 HB2 SER 32 10.082 1.258 6.823
241 2HB SER 32 HB1 SER 32 10.600 0.227 8.153
242 HG SER 32 HG SER 32 10.839 -0.344 5.378
243 H LYS 33 HN LYS 33 7.065 0.777 5.900
244 HA LYS 33 HA LYS 33 5.591 1.320 8.432
245 1HB LYS 33 HB2 LYS 33 6.591 3.348 8.558
246 2HB LYS 33 HB1 LYS 33 7.304 3.168 6.963
247 1HG LYS 33 HG2 LYS 33 5.311 4.013 5.895
248 2HG LYS 33 HG1 LYS 33 4.412 3.957 7.411
249 1HD LYS 33 HD2 LYS 33 6.902 5.639 7.065
250 2HD LYS 33 HD1 LYS 33 5.285 6.258 6.725
251 1HE LYS 33 HE2 LYS 33 4.664 5.459 9.102
252 2HE LYS 33 HE1 LYS 33 6.414 5.341 9.377
253 1HZ LYS 33 HZ3 LYS 33 5.132 7.746 8.208
254 2HZ LYS 33 HZ2 LYS 33 5.389 7.572 9.879
255 3HZ LYS 33 HZ1 LYS 33 6.710 7.597 8.811
256 H VAL 34 HN VAL 34 3.370 1.950 8.033
257 HA VAL 34 HA VAL 34 2.387 1.975 5.246
258 HB VAL 34 HB VAL 34 2.635 -0.398 5.775
259 1HG1 VAL 34 HG13 VAL 34 1.554 0.520 8.360
260 2HG1 VAL 34 HG12 VAL 34 0.862 -0.996 7.783
261 3HG1 VAL 34 HG11 VAL 34 2.606 -0.850 8.003
262 1HG2 VAL 34 HG23 VAL 34 -0.239 0.560 5.960
263 2HG2 VAL 34 HG22 VAL 34 0.647 0.187 4.482
264 3HG2 VAL 34 HG21 VAL 34 0.236 -1.100 5.612
265 H ASP 35 HN ASP 35 -0.034 2.394 5.236
266 HA ASP 35 HA ASP 35 -1.270 3.218 7.771
267 1HB ASP 35 HB2 ASP 35 0.387 5.005 6.301
268 2HB ASP 35 HB1 ASP 35 -1.277 5.559 6.108
269 H VAL 36 HN VAL 36 -3.511 3.795 7.490
270 HA VAL 36 HA VAL 36 -4.635 2.936 4.851
271 HB VAL 36 HB VAL 36 -6.690 2.556 6.342
272 1HG1 VAL 36 HG12 VAL 36 -4.498 0.969 5.783
273 2HG1 VAL 36 HG11 VAL 36 -4.623 0.850 7.539
274 3HG1 VAL 36 HG13 VAL 36 -5.997 0.408 6.526
275 1HG2 VAL 36 HG21 VAL 36 -5.381 4.076 8.146
276 2HG2 VAL 36 HG23 VAL 36 -6.557 2.851 8.619
277 3HG2 VAL 36 HG22 VAL 36 -4.833 2.484 8.671
278 H GLY 37 HN GLY 37 -5.208 4.699 3.650
279 1HA GLY 37 HA2 GLY 37 -6.342 7.067 5.074
280 2HA GLY 37 HA1 GLY 37 -5.514 7.155 3.520
281 H PHE 38 HN PHE 38 -8.396 5.709 5.061
282 HA PHE 38 HA PHE 38 -9.723 5.043 2.605
283 1HB PHE 38 HB2 PHE 38 -10.115 4.773 5.366
284 2HB PHE 38 HB1 PHE 38 -11.485 5.743 4.817
285 HD1 PHE 38 HD2 PHE 38 -11.585 4.698 1.971
286 HD2 PHE 38 HD1 PHE 38 -11.256 2.680 5.745
287 HE1 PHE 38 HE2 PHE 38 -12.618 2.672 0.972
288 HE2 PHE 38 HE1 PHE 38 -12.288 0.656 4.750
289 HZ PHE 38 HZ PHE 38 -12.987 0.656 2.374
290 H GLU 39 HN GLU 39 -9.132 8.066 4.132
291 HA GLU 39 HA GLU 39 -11.416 9.592 3.413
292 1HB GLU 39 HB2 GLU 39 -8.466 10.123 3.755
293 2HB GLU 39 HB1 GLU 39 -9.545 11.426 3.257
294 1HG GLU 39 HG2 GLU 39 -10.972 10.960 5.247
295 2HG GLU 39 HG1 GLU 39 -9.808 9.740 5.764
296 H LYS 40 HN LYS 40 -9.008 8.086 1.463
297 HA LYS 40 HA LYS 40 -10.230 9.246 -0.982
298 1HB LYS 40 HB2 LYS 40 -7.293 9.320 -0.227
299 2HB LYS 40 HB1 LYS 40 -7.910 9.725 -1.829
300 1HG LYS 40 HG2 LYS 40 -9.407 11.438 -0.690
301 2HG LYS 40 HG1 LYS 40 -8.475 11.149 0.780
302 1HD LYS 40 HD2 LYS 40 -6.645 12.257 -0.006
303 2HD LYS 40 HD1 LYS 40 -6.860 11.646 -1.647
304 1HE LYS 40 HE2 LYS 40 -8.905 13.584 -0.648
305 2HE LYS 40 HE1 LYS 40 -7.303 14.224 -1.065
306 1HZ LYS 40 HZ1 LYS 40 -8.729 12.323 -2.828
307 2HZ LYS 40 HZ3 LYS 40 -8.975 13.996 -2.954
308 3HZ LYS 40 HZ2 LYS 40 -7.427 13.345 -3.211
309 H ARG 41 HN ARG 41 -10.234 6.571 0.318
310 HA ARG 41 HA ARG 41 -9.784 4.299 -0.227
311 1HB ARG 41 HB2 ARG 41 -10.671 5.887 -2.525
312 2HB ARG 41 HB1 ARG 41 -9.794 4.440 -3.009
313 1HG ARG 41 HG2 ARG 41 -12.335 4.195 -2.682
314 2HG ARG 41 HG1 ARG 41 -11.308 3.001 -1.889
315 1HD ARG 41 HD2 ARG 41 -13.155 3.966 -0.423
316 2HD ARG 41 HD1 ARG 41 -11.527 4.140 0.244
317 HE ARG 41 HE ARG 41 -11.925 6.423 -1.327
318 1HH1 ARG 41 HH21 ARG 41 -13.469 4.875 1.345
319 2HH1 ARG 41 HH22 ARG 41 -14.086 6.352 2.006
320 1HH2 ARG 41 HH11 ARG 41 -12.719 8.350 -0.475
321 2HH2 ARG 41 HH12 ARG 41 -13.661 8.318 0.978
322 H GLU 42 HN GLU 42 -7.372 5.288 0.472
323 HA GLU 42 HA GLU 42 -5.572 4.097 -1.572
324 1HB GLU 42 HB2 GLU 42 -4.116 6.191 -1.301
325 2HB GLU 42 HB1 GLU 42 -5.618 6.409 -2.200
326 1HG GLU 42 HG2 GLU 42 -6.705 7.432 -0.350
327 2HG GLU 42 HG1 GLU 42 -5.463 6.889 0.778
328 H ALA 43 HN ALA 43 -3.596 3.302 -0.674
329 HA ALA 43 HA ALA 43 -3.430 3.446 2.327
330 1HB ALA 43 HB3 ALA 43 -3.978 1.226 1.134
331 2HB ALA 43 HB2 ALA 43 -2.332 1.278 0.503
332 3HB ALA 43 HB1 ALA 43 -2.607 1.184 2.242
333 H VAL 44 HN VAL 44 -1.525 4.411 3.085
334 HA VAL 44 HA VAL 44 0.568 5.008 1.031
335 HB VAL 44 HB VAL 44 -0.632 6.834 2.294
336 1HG1 VAL 44 HG13 VAL 44 -0.103 5.129 4.462
337 2HG1 VAL 44 HG12 VAL 44 0.936 6.532 4.715
338 3HG1 VAL 44 HG11 VAL 44 -0.807 6.745 4.538
339 1HG2 VAL 44 HG21 VAL 44 1.955 6.719 1.508
340 2HG2 VAL 44 HG23 VAL 44 1.253 8.143 2.275
341 3HG2 VAL 44 HG22 VAL 44 2.186 6.994 3.235
342 H VAL 45 HN VAL 45 2.721 4.393 1.387
343 HA VAL 45 HA VAL 45 3.386 3.055 3.962
344 HB VAL 45 HB VAL 45 3.436 1.736 1.235
345 1HG1 VAL 45 HG11 VAL 45 5.119 1.183 3.284
346 2HG1 VAL 45 HG13 VAL 45 3.743 0.179 3.743
347 3HG1 VAL 45 HG12 VAL 45 4.517 -0.049 2.174
348 1HG2 VAL 45 HG21 VAL 45 1.612 1.505 3.630
349 2HG2 VAL 45 HG23 VAL 45 1.170 1.866 1.964
350 3HG2 VAL 45 HG22 VAL 45 1.709 0.248 2.404
351 H THR 46 HN THR 46 5.574 2.906 4.358
352 HA THR 46 HA THR 46 7.428 4.264 2.438
353 HB THR 46 HB THR 46 7.106 4.077 5.413
354 HG1 THR 46 HG1 THR 46 7.095 6.180 5.218
355 1HG2 THR 46 HG23 THR 46 9.723 4.203 3.952
356 2HG2 THR 46 HG22 THR 46 9.529 5.080 5.470
357 3HG2 THR 46 HG21 THR 46 9.313 3.330 5.429
358 H PHE 47 HN PHE 47 9.631 3.159 2.279
359 HA PHE 47 HA PHE 47 9.908 0.509 3.462
360 1HB PHE 47 HB2 PHE 47 9.586 -0.739 1.376
361 2HB PHE 47 HB1 PHE 47 8.127 0.173 1.765
362 HD1 PHE 47 HD2 PHE 47 11.229 0.211 -0.334
363 HD2 PHE 47 HD1 PHE 47 7.322 1.884 0.348
364 HE1 PHE 47 HE2 PHE 47 11.363 1.404 -2.491
365 HE2 PHE 47 HE1 PHE 47 7.461 3.078 -1.818
366 HZ PHE 47 HZ PHE 47 9.468 2.837 -3.238
367 H ASP 48 HN ASP 48 11.637 -0.747 2.159
368 HA ASP 48 HA ASP 48 13.825 1.172 1.506
369 1HB ASP 48 HB2 ASP 48 13.878 -1.758 2.305
370 2HB ASP 48 HB1 ASP 48 15.285 -0.703 2.156
371 H ASP 49 HN ASP 49 13.958 1.413 -0.687
372 HA ASP 49 HA ASP 49 12.749 -0.193 -2.643
373 1HB ASP 49 HB2 ASP 49 13.545 1.962 -3.213
374 2HB ASP 49 HB1 ASP 49 15.166 1.614 -2.612
375 H THR 50 HN THR 50 15.575 -0.894 -0.791
376 HA THR 50 HA THR 50 16.974 -2.611 -2.618
377 HB THR 50 HB THR 50 17.769 -3.549 -0.296
378 HG1 THR 50 HG1 THR 50 17.077 -2.445 1.417
379 1HG2 THR 50 HG21 THR 50 18.123 -0.812 -1.460
380 2HG2 THR 50 HG23 THR 50 18.871 -1.175 0.096
381 3HG2 THR 50 HG22 THR 50 19.288 -2.129 -1.328
382 H LYS 51 HN LYS 51 14.425 -3.278 -0.199
383 HA LYS 51 HA LYS 51 14.243 -6.069 -1.288
384 1HB LYS 51 HB2 LYS 51 14.584 -5.049 1.298
385 2HB LYS 51 HB1 LYS 51 12.891 -5.541 1.235
386 1HG LYS 51 HG2 LYS 51 13.481 -7.773 0.567
387 2HG LYS 51 HG1 LYS 51 15.166 -7.314 0.321
388 1HD LYS 51 HD2 LYS 51 15.335 -6.772 2.749
389 2HD LYS 51 HD1 LYS 51 13.684 -7.355 2.964
390 1HE LYS 51 HE2 LYS 51 14.337 -9.535 2.905
391 2HE LYS 51 HE1 LYS 51 15.417 -9.255 1.524
392 1HZ LYS 51 HZ2 LYS 51 15.998 -8.284 4.267
393 2HZ LYS 51 HZ1 LYS 51 16.574 -9.768 3.673
394 3HZ LYS 51 HZ3 LYS 51 17.052 -8.318 2.935
395 H ALA 52 HN ALA 52 12.731 -3.116 -1.460
396 HA ALA 52 HA ALA 52 10.184 -4.362 -2.327
397 1HB ALA 52 HB1 ALA 52 10.256 -3.684 0.198
398 2HB ALA 52 HB3 ALA 52 10.149 -2.034 -0.416
399 3HB ALA 52 HB2 ALA 52 8.865 -3.190 -0.767
400 H SER 53 HN SER 53 8.731 -2.065 -2.684
401 HA SER 53 HA SER 53 9.999 0.225 -3.738
402 1HB SER 53 HB2 SER 53 11.139 -0.789 -5.443
403 2HB SER 53 HB1 SER 53 10.135 -2.234 -5.371
404 HG SER 53 HG SER 53 9.206 -1.443 -7.077
405 H VAL 54 HN VAL 54 8.445 1.587 -4.856
406 HA VAL 54 HA VAL 54 5.795 1.526 -4.103
407 HB VAL 54 HB VAL 54 7.100 3.273 -5.422
408 1HG1 VAL 54 HG13 VAL 54 7.813 1.698 -7.220
409 2HG1 VAL 54 HG12 VAL 54 6.134 1.575 -7.744
410 3HG1 VAL 54 HG11 VAL 54 6.984 3.115 -7.863
411 1HG2 VAL 54 HG21 VAL 54 4.291 2.475 -6.227
412 2HG2 VAL 54 HG23 VAL 54 4.756 3.627 -4.976
413 3HG2 VAL 54 HG22 VAL 54 5.025 4.015 -6.675
414 H GLN 55 HN GLN 55 7.212 -0.141 -6.919
415 HA GLN 55 HA GLN 55 4.795 -1.132 -8.057
416 1HB GLN 55 HB2 GLN 55 7.238 -1.147 -8.902
417 2HB GLN 55 HB1 GLN 55 7.435 -2.607 -7.932
418 1HG GLN 55 HG2 GLN 55 6.849 -3.297 -10.172
419 2HG GLN 55 HG1 GLN 55 5.446 -3.581 -9.141
420 1HE2 GLN 55 HE22 GLN 55 5.276 -0.670 -12.019
421 2HE2 GLN 55 HE21 GLN 55 6.772 -1.350 -11.594
422 H LYS 56 HN LYS 56 7.001 -2.595 -5.656
423 HA LYS 56 HA LYS 56 5.453 -4.972 -5.233
424 1HB LYS 56 HB2 LYS 56 7.439 -3.471 -3.497
425 2HB LYS 56 HB1 LYS 56 6.900 -5.124 -3.198
426 1HG LYS 56 HG2 LYS 56 8.395 -4.120 -5.636
427 2HG LYS 56 HG1 LYS 56 9.009 -5.214 -4.397
428 1HD LYS 56 HD2 LYS 56 7.189 -6.832 -5.010
429 2HD LYS 56 HD1 LYS 56 6.755 -5.766 -6.347
430 1HE LYS 56 HE2 LYS 56 8.818 -6.134 -7.463
431 2HE LYS 56 HE1 LYS 56 9.577 -6.807 -6.006
432 1HZ LYS 56 HZ1 LYS 56 7.935 -8.603 -6.049
433 2HZ LYS 56 HZ3 LYS 56 7.288 -7.988 -7.491
434 3HZ LYS 56 HZ2 LYS 56 8.876 -8.591 -7.463
435 H LEU 57 HN LEU 57 5.118 -1.691 -3.974
436 HA LEU 57 HA LEU 57 3.501 -2.443 -1.673
437 1HB LEU 57 HB2 LEU 57 3.540 0.149 -3.252
438 2HB LEU 57 HB1 LEU 57 3.067 -0.055 -1.568
439 HG LEU 57 HG LEU 57 5.848 -0.599 -2.643
440 1HD1 LEU 57 HD12 LEU 57 4.580 1.847 -2.266
441 2HD1 LEU 57 HD11 LEU 57 5.497 1.615 -0.778
442 3HD1 LEU 57 HD13 LEU 57 6.320 1.581 -2.336
443 1HD2 LEU 57 HD21 LEU 57 4.730 -1.634 -0.390
444 2HD2 LEU 57 HD23 LEU 57 6.438 -1.207 -0.502
445 3HD2 LEU 57 HD22 LEU 57 5.295 -0.086 0.238
446 H THR 58 HN THR 58 2.740 -1.004 -4.861
447 HA THR 58 HA THR 58 -0.082 -1.178 -4.717
448 HB THR 58 HB THR 58 1.872 -1.424 -7.031
449 HG1 THR 58 HG1 THR 58 2.102 0.597 -6.569
450 1HG2 THR 58 HG23 THR 58 -1.085 -1.437 -6.914
451 2HG2 THR 58 HG22 THR 58 -0.379 -0.333 -8.094
452 3HG2 THR 58 HG21 THR 58 -0.004 -2.055 -8.162
453 H LYS 59 HN LYS 59 2.362 -3.617 -5.521
454 HA LYS 59 HA LYS 59 0.438 -5.578 -6.427
455 1HB LYS 59 HB2 LYS 59 3.257 -5.164 -6.363
456 2HB LYS 59 HB1 LYS 59 2.931 -6.716 -5.590
457 1HG LYS 59 HG2 LYS 59 1.316 -7.056 -7.655
458 2HG LYS 59 HG1 LYS 59 2.358 -5.844 -8.403
459 1HD LYS 59 HD2 LYS 59 3.806 -7.505 -8.870
460 2HD LYS 59 HD1 LYS 59 4.119 -7.621 -7.138
461 1HE LYS 59 HE2 LYS 59 2.499 -9.355 -6.854
462 2HE LYS 59 HE1 LYS 59 1.801 -9.060 -8.460
463 1HZ LYS 59 HZ1 LYS 59 4.111 -9.521 -9.338
464 2HZ LYS 59 HZ3 LYS 59 4.476 -10.150 -7.806
465 3HZ LYS 59 HZ2 LYS 59 3.257 -10.865 -8.747
466 H ALA 60 HN ALA 60 1.921 -4.718 -3.355
467 HA ALA 60 HA ALA 60 1.283 -7.129 -1.944
468 1HB ALA 60 HB1 ALA 60 2.820 -5.004 -1.454
469 2HB ALA 60 HB3 ALA 60 1.370 -4.449 -0.617
470 3HB ALA 60 HB2 ALA 60 2.146 -5.958 -0.133
471 H THR 61 HN THR 61 -0.319 -3.943 -2.150
472 HA THR 61 HA THR 61 -2.640 -4.688 -0.618
473 HB THR 61 HB THR 61 -1.880 -2.360 -1.032
474 HG1 THR 61 HG1 THR 61 -4.328 -2.708 -2.385
475 1HG2 THR 61 HG22 THR 61 -2.584 -3.025 -3.902
476 2HG2 THR 61 HG21 THR 61 -2.246 -1.398 -3.313
477 3HG2 THR 61 HG23 THR 61 -0.985 -2.629 -3.274
478 H ALA 62 HN ALA 62 -1.654 -4.854 -3.927
479 HA ALA 62 HA ALA 62 -4.190 -5.551 -5.098
480 1HB ALA 62 HB2 ALA 62 -1.311 -6.064 -5.913
481 2HB ALA 62 HB1 ALA 62 -2.698 -6.289 -6.978
482 3HB ALA 62 HB3 ALA 62 -2.295 -4.678 -6.383
483 H ASP 63 HN ASP 63 -1.689 -7.307 -3.404
484 HA ASP 63 HA ASP 63 -2.767 -9.951 -4.164
485 1HB ASP 63 HB2 ASP 63 -0.285 -9.043 -3.617
486 2HB ASP 63 HB1 ASP 63 -0.753 -9.561 -1.996
487 H ALA 64 HN ALA 64 -3.304 -7.532 -1.804
488 HA ALA 64 HA ALA 64 -4.173 -9.319 0.349
489 1HB ALA 64 HB3 ALA 64 -3.400 -6.672 0.082
490 2HB ALA 64 HB2 ALA 64 -5.147 -6.537 0.283
491 3HB ALA 64 HB1 ALA 64 -4.178 -7.350 1.512
492 H GLY 65 HN GLY 65 -5.573 -7.562 -2.365
493 1HA GLY 65 HA2 GLY 65 -7.648 -9.028 -3.118
494 2HA GLY 65 HA1 GLY 65 -8.285 -8.469 -1.577
495 H TYR 66 HN TYR 66 -6.277 -6.406 -3.655
496 HA TYR 66 HA TYR 66 -8.676 -5.022 -4.701
497 1HB TYR 66 HB2 TYR 66 -6.689 -3.670 -2.857
498 2HB TYR 66 HB1 TYR 66 -8.113 -2.930 -3.582
499 HD1 TYR 66 HD1 TYR 66 -10.391 -4.006 -3.054
500 HD2 TYR 66 HD2 TYR 66 -6.798 -4.686 -0.825
501 HE1 TYR 66 HE1 TYR 66 -11.738 -4.762 -1.130
502 HE2 TYR 66 HE2 TYR 66 -8.126 -5.436 1.104
503 HH TYR 66 HH TYR 66 -10.390 -5.209 1.997
504 HA PRO 67 HA PRO 67 -5.315 -4.708 -7.785
505 1HB PRO 67 HB2 PRO 67 -7.357 -3.486 -9.447
506 2HB PRO 67 HB1 PRO 67 -6.578 -5.057 -9.662
507 1HG PRO 67 HG2 PRO 67 -9.262 -4.541 -8.804
508 2HG PRO 67 HG1 PRO 67 -8.464 -6.108 -8.975
509 1HD PRO 67 HD2 PRO 67 -9.212 -4.780 -6.533
510 2HD PRO 67 HD1 PRO 67 -8.347 -6.329 -6.706
511 H SER 68 HN SER 68 -4.229 -2.982 -6.694
512 HA SER 68 HA SER 68 -5.590 -0.325 -6.676
513 1HB SER 68 HB2 SER 68 -4.929 -0.761 -4.526
514 2HB SER 68 HB1 SER 68 -3.610 -1.811 -5.033
515 HG SER 68 HG SER 68 -2.925 0.224 -4.142
516 H SER 69 HN SER 69 -3.762 1.477 -6.632
517 HA SER 69 HA SER 69 -1.769 1.051 -8.806
518 1HB SER 69 HB2 SER 69 -2.547 3.358 -9.599
519 2HB SER 69 HB1 SER 69 -3.694 2.048 -9.864
520 HG SER 69 HG SER 69 -4.969 3.375 -8.812
521 H VAL 70 HN VAL 70 -0.830 3.708 -8.746
522 HA VAL 70 HA VAL 70 -0.234 4.190 -5.887
523 HB VAL 70 HB VAL 70 1.278 2.568 -7.118
524 1HG1 VAL 70 HG12 VAL 70 1.383 3.816 -9.241
525 2HG1 VAL 70 HG11 VAL 70 2.176 5.160 -8.419
526 3HG1 VAL 70 HG13 VAL 70 2.999 3.607 -8.566
527 1HG2 VAL 70 HG21 VAL 70 1.811 4.624 -5.236
528 2HG2 VAL 70 HG23 VAL 70 2.720 3.131 -5.466
529 3HG2 VAL 70 HG22 VAL 70 3.186 4.592 -6.337
530 H LYS 71 HN LYS 71 0.689 6.258 -5.458
531 HA LYS 71 HA LYS 71 0.449 8.229 -7.707
532 1HB LYS 71 HB2 LYS 71 -0.162 9.517 -5.242
533 2HB LYS 71 HB1 LYS 71 -1.265 9.201 -6.577
534 1HG LYS 71 HG2 LYS 71 -1.916 7.080 -5.641
535 2HG LYS 71 HG1 LYS 71 -0.642 7.165 -4.423
536 1HD LYS 71 HD2 LYS 71 -2.512 7.866 -3.217
537 2HD LYS 71 HD1 LYS 71 -1.812 9.400 -3.735
538 1HE LYS 71 HE2 LYS 71 -3.539 9.848 -5.188
539 2HE LYS 71 HE1 LYS 71 -3.739 8.141 -5.628
540 1HZ LYS 71 HZ3 LYS 71 -4.349 8.064 -3.039
541 2HZ LYS 71 HZ2 LYS 71 -4.897 9.628 -3.412
542 3HZ LYS 71 HZ1 LYS 71 -5.510 8.286 -4.256
543 H GLN 72 HN GLN 72 2.692 6.811 -6.658
544 HA GLN 72 HA GLN 72 4.293 8.216 -4.789
545 1HB GLN 72 HB2 GLN 72 6.126 7.007 -5.850
546 2HB GLN 72 HB1 GLN 72 4.701 5.968 -5.830
547 1HG GLN 72 HG2 GLN 72 4.683 5.849 -8.078
548 2HG GLN 72 HG1 GLN 72 4.714 7.607 -8.216
549 1HE2 GLN 72 HE22 GLN 72 8.041 7.570 -9.329
550 2HE2 GLN 72 HE21 GLN 72 6.512 8.306 -9.361
No H/Q in entry = 550
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 -17.642 0.574 -1.212
2 2H ALA 1 HT3 ALA 1 -16.787 0.524 0.251
3 3H ALA 1 HT2 ALA 1 -18.427 0.968 0.242
4 HA ALA 1 HA ALA 1 -17.970 3.026 -0.832
5 1HB ALA 1 HB3 ALA 1 -17.144 2.247 1.678
6 2HB ALA 1 HB2 ALA 1 -15.686 2.993 1.023
7 3HB ALA 1 HB1 ALA 1 -17.187 3.916 1.110
8 H THR 2 HN THR 2 -15.516 4.364 -0.744
9 HA THR 2 HA THR 2 -13.593 2.964 -2.440
10 HB THR 2 HB THR 2 -14.019 5.341 -3.766
11 HG1 THR 2 HG1 THR 2 -16.549 4.206 -3.251
12 1HG2 THR 2 HG22 THR 2 -14.521 2.494 -4.198
13 2HG2 THR 2 HG21 THR 2 -15.575 3.534 -5.156
14 3HG2 THR 2 HG23 THR 2 -13.824 3.689 -5.293
15 H GLN 3 HN GLN 3 -12.190 3.399 -0.644
16 HA GLN 3 HA GLN 3 -11.762 6.301 -0.015
17 1HB GLN 3 HB2 GLN 3 -11.869 3.794 1.497
18 2HB GLN 3 HB1 GLN 3 -10.481 4.798 1.922
19 1HG GLN 3 HG2 GLN 3 -12.705 6.543 1.660
20 2HG GLN 3 HG1 GLN 3 -13.242 5.174 2.632
21 1HE2 GLN 3 HE22 GLN 3 -11.743 7.450 5.091
22 2HE2 GLN 3 HE21 GLN 3 -13.158 7.340 4.160
23 H THR 4 HN THR 4 -9.447 6.748 0.753
24 HA THR 4 HA THR 4 -7.391 5.229 -0.780
25 HB THR 4 HB THR 4 -7.427 8.226 -0.870
26 HG1 THR 4 HG1 THR 4 -8.658 7.742 -2.943
27 1HG2 THR 4 HG21 THR 4 -6.371 5.940 -2.490
28 2HG2 THR 4 HG23 THR 4 -6.675 7.481 -3.292
29 3HG2 THR 4 HG22 THR 4 -5.544 7.397 -1.941
30 H VAL 5 HN VAL 5 -5.629 4.935 0.516
31 HA VAL 5 HA VAL 5 -5.067 6.917 2.708
32 HB VAL 5 HB VAL 5 -4.315 4.173 3.337
33 1HG1 VAL 5 HG13 VAL 5 -5.824 6.443 4.569
34 2HG1 VAL 5 HG12 VAL 5 -5.954 4.842 5.296
35 3HG1 VAL 5 HG11 VAL 5 -4.377 5.617 5.145
36 1HG2 VAL 5 HG21 VAL 5 -7.151 4.708 2.493
37 2HG2 VAL 5 HG23 VAL 5 -6.172 3.257 2.274
38 3HG2 VAL 5 HG22 VAL 5 -6.847 3.634 3.858
39 H THR 6 HN THR 6 -2.800 6.843 3.384
40 HA THR 6 HA THR 6 -0.993 6.020 1.165
41 HB THR 6 HB THR 6 0.463 7.650 2.724
42 HG1 THR 6 HG1 THR 6 -1.372 9.274 3.279
43 1HG2 THR 6 HG21 THR 6 -1.686 8.408 0.746
44 2HG2 THR 6 HG23 THR 6 -0.529 9.576 1.380
45 3HG2 THR 6 HG22 THR 6 0.038 8.195 0.441
46 H LEU 7 HN LEU 7 1.033 4.941 1.914
47 HA LEU 7 HA LEU 7 0.711 3.713 4.620
48 1HB LEU 7 HB2 LEU 7 0.747 2.599 1.909
49 2HB LEU 7 HB1 LEU 7 1.915 1.818 2.973
50 HG LEU 7 HG LEU 7 0.256 1.124 4.483
51 1HD1 LEU 7 HD11 LEU 7 -1.481 3.215 3.209
52 2HD1 LEU 7 HD13 LEU 7 -2.144 1.942 4.232
53 3HD1 LEU 7 HD12 LEU 7 -0.980 3.081 4.890
54 1HD2 LEU 7 HD23 LEU 7 0.102 -0.084 2.302
55 2HD2 LEU 7 HD22 LEU 7 -1.452 -0.017 3.135
56 3HD2 LEU 7 HD21 LEU 7 -1.129 1.068 1.784
57 H ALA 8 HN ALA 8 2.694 2.987 5.569
58 HA ALA 8 HA ALA 8 5.092 4.507 4.599
59 1HB ALA 8 HB1 ALA 8 3.931 3.734 7.249
60 2HB ALA 8 HB3 ALA 8 5.679 3.935 7.138
61 3HB ALA 8 HB2 ALA 8 4.609 5.279 6.737
62 H VAL 9 HN VAL 9 6.287 3.050 3.380
63 HA VAL 9 HA VAL 9 6.741 0.320 4.533
64 HB VAL 9 HB VAL 9 5.630 0.121 2.447
65 1HG1 VAL 9 HG12 VAL 9 7.204 2.564 1.789
66 2HG1 VAL 9 HG11 VAL 9 6.830 1.476 0.452
67 3HG1 VAL 9 HG13 VAL 9 5.526 2.171 1.414
68 1HG2 VAL 9 HG23 VAL 9 8.266 -0.730 2.689
69 2HG2 VAL 9 HG22 VAL 9 7.122 -1.264 1.457
70 3HG2 VAL 9 HG21 VAL 9 8.235 0.060 1.113
71 HA PRO 10 HA PRO 10 10.828 2.374 4.794
72 1HB PRO 10 HB2 PRO 10 11.455 0.887 7.092
73 2HB PRO 10 HB1 PRO 10 10.785 2.522 7.064
74 1HG PRO 10 HG2 PRO 10 9.494 0.053 7.884
75 2HG PRO 10 HG1 PRO 10 8.901 1.710 8.031
76 1HD PRO 10 HD2 PRO 10 8.075 -0.325 6.134
77 2HD PRO 10 HD1 PRO 10 7.429 1.323 6.330
78 H GLY 11 HN GLY 11 10.321 0.115 3.015
79 1HA GLY 11 HA2 GLY 11 12.312 -1.931 3.778
80 2HA GLY 11 HA1 GLY 11 11.275 -1.979 2.350
81 H MET 12 HN MET 12 11.759 0.395 1.131
82 HA MET 12 HA MET 12 13.273 1.162 -0.540
83 1HB MET 12 HB2 MET 12 15.098 2.397 0.606
84 2HB MET 12 HB1 MET 12 13.560 2.602 1.435
85 1HG MET 12 HG2 MET 12 14.161 1.082 3.162
86 2HG MET 12 HG1 MET 12 15.527 0.459 2.239
87 1HE MET 12 HE2 MET 12 17.484 0.983 2.193
88 2HE MET 12 HE1 MET 12 18.366 2.410 2.732
89 3HE MET 12 HE3 MET 12 17.845 1.192 3.905
90 H THR 13 HN THR 13 13.499 -1.394 -0.964
91 HA THR 13 HA THR 13 16.051 -2.589 -0.292
92 HB THR 13 HB THR 13 13.833 -3.681 -0.980
93 HG1 THR 13 HG1 THR 13 16.201 -4.514 -1.146
94 1HG2 THR 13 HG21 THR 13 14.104 -2.053 -3.151
95 2HG2 THR 13 HG23 THR 13 14.632 -3.606 -3.795
96 3HG2 THR 13 HG22 THR 13 13.035 -3.446 -3.060
97 H CYS 14 HN CYS 14 15.290 0.018 -2.240
98 HA CYS 14 HA CYS 14 16.717 1.309 -3.620
99 1HB CYS 14 HB2 CYS 14 18.367 -0.429 -2.314
100 2HB CYS 14 HB1 CYS 14 18.663 -0.875 -3.994
101 HG CYS 14 HG CYS 14 19.025 1.866 -4.310
102 H ALA 15 HN ALA 15 15.112 -1.441 -4.397
103 HA ALA 15 HA ALA 15 14.994 -0.846 -7.212
104 1HB ALA 15 HB1 ALA 15 17.134 -2.511 -6.203
105 2HB ALA 15 HB3 ALA 15 16.103 -3.449 -7.284
106 3HB ALA 15 HB2 ALA 15 16.854 -1.958 -7.854
107 H ALA 16 HN ALA 16 13.211 -1.476 -4.913
108 HA ALA 16 HA ALA 16 11.328 -3.165 -6.266
109 1HB ALA 16 HB1 ALA 16 13.494 -4.489 -5.016
110 2HB ALA 16 HB3 ALA 16 12.071 -4.814 -4.027
111 3HB ALA 16 HB2 ALA 16 12.064 -5.222 -5.743
112 H CYS 17 HN CYS 17 12.377 -1.602 -3.269
113 HA CYS 17 HA CYS 17 10.331 -2.194 -1.491
114 1HB CYS 17 HB2 CYS 17 11.812 -0.718 -0.592
115 2HB CYS 17 HB1 CYS 17 12.096 0.094 -2.122
116 HG CYS 17 HG CYS 17 9.509 0.699 -0.462
117 HA PRO 18 HA PRO 18 7.354 0.912 -3.608
118 1HB PRO 18 HB2 PRO 18 8.190 1.908 -6.059
119 2HB PRO 18 HB1 PRO 18 8.440 2.701 -4.500
120 1HG PRO 18 HG2 PRO 18 10.405 1.397 -6.243
121 2HG PRO 18 HG1 PRO 18 10.672 2.497 -4.887
122 1HD PRO 18 HD2 PRO 18 11.013 -0.365 -4.919
123 2HD PRO 18 HD1 PRO 18 11.232 0.746 -3.546
124 H ILE 19 HN ILE 19 8.875 -1.608 -5.473
125 HA ILE 19 HA ILE 19 6.695 -1.686 -7.481
126 HB ILE 19 HB ILE 19 9.299 -3.135 -6.990
127 1HG1 ILE 19 HG12 ILE 19 8.521 -1.875 -9.578
128 2HG1 ILE 19 HG11 ILE 19 8.817 -0.789 -8.220
129 1HG2 ILE 19 HG22 ILE 19 6.949 -4.077 -8.471
130 2HG2 ILE 19 HG21 ILE 19 8.399 -3.985 -9.470
131 3HG2 ILE 19 HG23 ILE 19 8.404 -4.956 -7.998
132 1HD1 ILE 19 HD11 ILE 19 10.968 -2.300 -7.898
133 2HD1 ILE 19 HD13 ILE 19 10.713 -2.648 -9.608
134 3HD1 ILE 19 HD12 ILE 19 10.968 -0.986 -9.074
135 H THR 20 HN THR 20 7.925 -3.578 -4.778
136 HA THR 20 HA THR 20 6.112 -5.797 -5.082
137 HB THR 20 HB THR 20 8.142 -4.706 -3.196
138 HG1 THR 20 HG1 THR 20 7.765 -7.382 -3.949
139 1HG2 THR 20 HG22 THR 20 6.165 -6.854 -2.414
140 2HG2 THR 20 HG21 THR 20 7.630 -6.447 -1.520
141 3HG2 THR 20 HG23 THR 20 6.331 -5.264 -1.667
142 H VAL 21 HN VAL 21 6.139 -2.775 -3.208
143 HA VAL 21 HA VAL 21 3.820 -3.379 -1.636
144 HB VAL 21 HB VAL 21 4.958 -0.720 -2.563
145 1HG1 VAL 21 HG11 VAL 21 3.004 -1.560 -0.447
146 2HG1 VAL 21 HG13 VAL 21 4.041 -0.166 -0.149
147 3HG1 VAL 21 HG12 VAL 21 2.946 -0.171 -1.532
148 1HG2 VAL 21 HG22 VAL 21 6.568 -2.375 -1.440
149 2HG2 VAL 21 HG21 VAL 21 6.418 -0.794 -0.676
150 3HG2 VAL 21 HG23 VAL 21 5.582 -2.187 0.009
151 H LYS 22 HN LYS 22 4.354 -1.647 -4.685
152 HA LYS 22 HA LYS 22 1.744 -0.751 -5.238
153 1HB LYS 22 HB2 LYS 22 3.926 -0.373 -6.489
154 2HB LYS 22 HB1 LYS 22 3.689 -1.960 -7.224
155 1HG LYS 22 HG2 LYS 22 2.320 -1.041 -8.749
156 2HG LYS 22 HG1 LYS 22 1.234 -0.533 -7.456
157 1HD LYS 22 HD2 LYS 22 2.670 1.495 -7.120
158 2HD LYS 22 HD1 LYS 22 3.610 1.010 -8.532
159 1HE LYS 22 HE2 LYS 22 0.624 1.212 -8.799
160 2HE LYS 22 HE1 LYS 22 1.595 2.697 -8.831
161 1HZ LYS 22 HZ2 LYS 22 2.954 0.792 -10.340
162 2HZ LYS 22 HZ1 LYS 22 1.333 0.735 -10.845
163 3HZ LYS 22 HZ3 LYS 22 2.185 2.199 -10.901
164 H LYS 23 HN LYS 23 3.190 -3.934 -6.064
165 HA LYS 23 HA LYS 23 0.687 -4.943 -7.158
166 1HB LYS 23 HB2 LYS 23 3.224 -6.352 -6.280
167 2HB LYS 23 HB1 LYS 23 1.994 -7.017 -7.355
168 1HG LYS 23 HG2 LYS 23 2.758 -4.453 -8.366
169 2HG LYS 23 HG1 LYS 23 4.227 -5.373 -8.041
170 1HD LYS 23 HD2 LYS 23 3.695 -7.030 -9.571
171 2HD LYS 23 HD1 LYS 23 1.959 -6.759 -9.420
172 1HE LYS 23 HE2 LYS 23 3.674 -4.573 -10.576
173 2HE LYS 23 HE1 LYS 23 3.197 -5.943 -11.600
174 1HZ LYS 23 HZ3 LYS 23 1.135 -4.801 -9.885
175 2HZ LYS 23 HZ2 LYS 23 1.620 -3.853 -11.209
176 3HZ LYS 23 HZ1 LYS 23 1.013 -5.419 -11.459
177 H ALA 24 HN ALA 24 1.967 -4.691 -3.981
178 HA ALA 24 HA ALA 24 0.660 -6.978 -2.820
179 1HB ALA 24 HB1 ALA 24 2.277 -4.660 -2.036
180 2HB ALA 24 HB3 ALA 24 1.097 -5.128 -0.813
181 3HB ALA 24 HB2 ALA 24 2.285 -6.299 -1.384
182 H LEU 25 HN LEU 25 0.018 -3.488 -2.502
183 HA LEU 25 HA LEU 25 -2.592 -3.836 -1.323
184 1HB LEU 25 HB2 LEU 25 -1.269 -1.502 -2.736
185 2HB LEU 25 HB1 LEU 25 -2.632 -1.392 -1.617
186 HG LEU 25 HG LEU 25 -0.846 -2.823 -0.129
187 1HD1 LEU 25 HD11 LEU 25 0.642 -1.356 -2.202
188 2HD1 LEU 25 HD13 LEU 25 1.194 -1.060 -0.554
189 3HD1 LEU 25 HD12 LEU 25 1.153 -2.706 -1.189
190 1HD2 LEU 25 HD22 LEU 25 -1.910 -0.149 -0.259
191 2HD2 LEU 25 HD21 LEU 25 -1.440 -1.081 1.163
192 3HD2 LEU 25 HD23 LEU 25 -0.245 -0.096 0.321
193 H SER 26 HN SER 26 -1.400 -3.479 -4.612
194 HA SER 26 HA SER 26 -3.970 -2.834 -5.815
195 1HB SER 26 HB2 SER 26 -2.727 -3.087 -7.863
196 2HB SER 26 HB1 SER 26 -1.600 -2.409 -6.691
197 HG SER 26 HG SER 26 -1.728 -4.961 -7.815
198 H LYS 27 HN LYS 27 -2.295 -5.792 -4.892
199 HA LYS 27 HA LYS 27 -4.459 -7.334 -6.236
200 1HB LYS 27 HB2 LYS 27 -2.770 -8.637 -6.973
201 2HB LYS 27 HB1 LYS 27 -1.633 -7.552 -6.191
202 1HG LYS 27 HG2 LYS 27 -2.985 -9.898 -4.820
203 2HG LYS 27 HG1 LYS 27 -1.353 -9.931 -5.483
204 1HD LYS 27 HD2 LYS 27 -1.315 -7.650 -3.927
205 2HD LYS 27 HD1 LYS 27 -2.323 -8.744 -2.980
206 1HE LYS 27 HE2 LYS 27 0.382 -9.528 -4.119
207 2HE LYS 27 HE1 LYS 27 0.132 -8.966 -2.455
208 1HZ LYS 27 HZ2 LYS 27 -1.829 -10.741 -2.664
209 2HZ LYS 27 HZ1 LYS 27 -0.699 -11.459 -3.710
210 3HZ LYS 27 HZ3 LYS 27 -0.279 -11.146 -2.096
211 H VAL 28 HN VAL 28 -3.812 -6.050 -3.291
212 HA VAL 28 HA VAL 28 -3.974 -8.062 -1.362
213 HB VAL 28 HB VAL 28 -3.725 -5.736 -0.783
214 1HG1 VAL 28 HG12 VAL 28 -5.466 -5.202 -2.779
215 2HG1 VAL 28 HG11 VAL 28 -6.538 -5.017 -1.394
216 3HG1 VAL 28 HG13 VAL 28 -5.075 -4.041 -1.511
217 1HG2 VAL 28 HG22 VAL 28 -5.709 -7.430 0.382
218 2HG2 VAL 28 HG21 VAL 28 -4.751 -6.177 1.170
219 3HG2 VAL 28 HG23 VAL 28 -6.307 -5.771 0.445
220 H GLU 29 HN GLU 29 -6.845 -6.455 -2.880
221 HA GLU 29 HA GLU 29 -8.296 -8.874 -3.260
222 1HB GLU 29 HB2 GLU 29 -8.160 -7.814 -0.537
223 2HB GLU 29 HB1 GLU 29 -9.820 -8.037 -1.092
224 1HG GLU 29 HG2 GLU 29 -8.361 -10.305 -1.968
225 2HG GLU 29 HG1 GLU 29 -7.915 -10.038 -0.283
226 H GLY 30 HN GLY 30 -9.399 -5.835 -1.691
227 1HA GLY 30 HA2 GLY 30 -11.307 -5.510 -3.945
228 2HA GLY 30 HA1 GLY 30 -11.427 -4.704 -2.384
229 H VAL 31 HN VAL 31 -8.293 -4.297 -2.980
230 HA VAL 31 HA VAL 31 -8.238 -1.568 -3.458
231 HB VAL 31 HB VAL 31 -6.284 -3.029 -3.008
232 1HG1 VAL 31 HG12 VAL 31 -7.237 -4.630 -4.938
233 2HG1 VAL 31 HG11 VAL 31 -6.100 -3.698 -5.911
234 3HG1 VAL 31 HG13 VAL 31 -5.527 -4.607 -4.515
235 1HG2 VAL 31 HG21 VAL 31 -6.043 -0.725 -4.021
236 2HG2 VAL 31 HG23 VAL 31 -4.711 -1.814 -4.409
237 3HG2 VAL 31 HG22 VAL 31 -5.963 -1.493 -5.607
238 H SER 32 HN SER 32 -8.357 -0.232 -5.154
239 HA SER 32 HA SER 32 -9.199 -1.383 -7.789
240 1HB SER 32 HB2 SER 32 -10.182 0.799 -6.044
241 2HB SER 32 HB1 SER 32 -10.121 1.190 -7.761
242 HG SER 32 HG SER 32 -11.292 -0.795 -8.105
243 H LYS 33 HN LYS 33 -6.940 0.514 -6.071
244 HA LYS 33 HA LYS 33 -5.368 0.998 -8.508
245 1HB LYS 33 HB2 LYS 33 -6.625 2.902 -8.851
246 2HB LYS 33 HB1 LYS 33 -7.075 3.036 -7.160
247 1HG LYS 33 HG2 LYS 33 -5.650 4.832 -7.265
248 2HG LYS 33 HG1 LYS 33 -4.434 3.605 -6.946
249 1HD LYS 33 HD2 LYS 33 -3.461 4.059 -8.922
250 2HD LYS 33 HD1 LYS 33 -4.951 3.614 -9.754
251 1HE LYS 33 HE2 LYS 33 -5.822 5.936 -9.323
252 2HE LYS 33 HE1 LYS 33 -4.225 6.360 -8.678
253 1HZ LYS 33 HZ1 LYS 33 -4.689 5.161 -11.355
254 2HZ LYS 33 HZ3 LYS 33 -4.442 6.817 -11.084
255 3HZ LYS 33 HZ2 LYS 33 -3.206 5.707 -10.730
256 H VAL 34 HN VAL 34 -3.200 1.907 -7.902
257 HA VAL 34 HA VAL 34 -2.553 2.051 -5.026
258 HB VAL 34 HB VAL 34 -1.763 -0.208 -6.869
259 1HG1 VAL 34 HG11 VAL 34 -0.465 0.583 -4.243
260 2HG1 VAL 34 HG13 VAL 34 -0.130 -0.894 -5.144
261 3HG1 VAL 34 HG12 VAL 34 0.295 0.673 -5.832
262 1HG2 VAL 34 HG22 VAL 34 -3.298 0.147 -4.345
263 2HG2 VAL 34 HG21 VAL 34 -3.559 -0.990 -5.666
264 3HG2 VAL 34 HG23 VAL 34 -2.307 -1.305 -4.465
265 H ASP 35 HN ASP 35 -0.248 2.696 -4.704
266 HA ASP 35 HA ASP 35 1.357 3.398 -7.057
267 1HB ASP 35 HB2 ASP 35 -0.526 5.259 -5.772
268 2HB ASP 35 HB1 ASP 35 1.109 5.904 -5.924
269 H VAL 36 HN VAL 36 3.406 4.546 -6.338
270 HA VAL 36 HA VAL 36 4.002 4.188 -3.433
271 HB VAL 36 HB VAL 36 6.151 3.063 -4.202
272 1HG1 VAL 36 HG13 VAL 36 3.678 2.018 -3.657
273 2HG1 VAL 36 HG12 VAL 36 4.011 1.317 -5.241
274 3HG1 VAL 36 HG11 VAL 36 5.132 1.051 -3.907
275 1HG2 VAL 36 HG22 VAL 36 4.601 2.988 -6.811
276 2HG2 VAL 36 HG21 VAL 36 6.116 3.845 -6.528
277 3HG2 VAL 36 HG23 VAL 36 6.080 2.082 -6.490
278 H GLY 37 HN GLY 37 5.897 5.419 -2.750
279 1HA GLY 37 HA2 GLY 37 7.046 7.312 -4.712
280 2HA GLY 37 HA1 GLY 37 6.178 8.011 -3.344
281 H PHE 38 HN PHE 38 9.164 6.715 -4.388
282 HA PHE 38 HA PHE 38 10.269 5.797 -1.911
283 1HB PHE 38 HB2 PHE 38 11.041 6.272 -4.622
284 2HB PHE 38 HB1 PHE 38 12.245 7.033 -3.579
285 HD1 PHE 38 HD2 PHE 38 12.049 5.245 -1.184
286 HD2 PHE 38 HD1 PHE 38 12.182 4.323 -5.378
287 HE1 PHE 38 HE2 PHE 38 13.006 3.018 -0.662
288 HE2 PHE 38 HE1 PHE 38 13.139 2.095 -4.855
289 HZ PHE 38 HZ PHE 38 13.560 1.445 -2.502
290 H GLU 39 HN GLU 39 9.681 9.009 -3.165
291 HA GLU 39 HA GLU 39 11.523 10.635 -1.854
292 1HB GLU 39 HB2 GLU 39 9.607 12.264 -1.761
293 2HB GLU 39 HB1 GLU 39 9.755 11.458 -3.324
294 1HG GLU 39 HG2 GLU 39 8.076 9.745 -2.449
295 2HG GLU 39 HG1 GLU 39 7.789 10.853 -1.106
296 H LYS 40 HN LYS 40 8.689 9.000 -0.464
297 HA LYS 40 HA LYS 40 9.764 9.618 2.256
298 1HB LYS 40 HB2 LYS 40 7.778 11.038 1.318
299 2HB LYS 40 HB1 LYS 40 6.823 9.587 1.626
300 1HG LYS 40 HG2 LYS 40 6.698 10.137 3.802
301 2HG LYS 40 HG1 LYS 40 8.455 10.046 3.919
302 1HD LYS 40 HD2 LYS 40 8.674 12.297 3.929
303 2HD LYS 40 HD1 LYS 40 7.537 12.491 2.594
304 1HE LYS 40 HE2 LYS 40 6.192 13.420 4.207
305 2HE LYS 40 HE1 LYS 40 5.853 11.729 4.630
306 1HZ LYS 40 HZ1 LYS 40 8.190 13.221 5.684
307 2HZ LYS 40 HZ3 LYS 40 6.707 13.143 6.505
308 3HZ LYS 40 HZ2 LYS 40 7.590 11.722 6.211
309 H ARG 41 HN ARG 41 9.839 7.178 0.512
310 HA ARG 41 HA ARG 41 9.271 4.866 0.622
311 1HB ARG 41 HB2 ARG 41 9.518 5.581 3.558
312 2HB ARG 41 HB1 ARG 41 9.865 4.018 2.818
313 1HG ARG 41 HG2 ARG 41 11.307 6.270 1.602
314 2HG ARG 41 HG1 ARG 41 11.730 5.963 3.287
315 1HD ARG 41 HD2 ARG 41 11.539 3.437 1.962
316 2HD ARG 41 HD1 ARG 41 12.569 4.493 0.978
317 HE ARG 41 HE ARG 41 13.300 3.347 3.491
318 1HH1 ARG 41 HH21 ARG 41 13.340 6.405 1.863
319 2HH1 ARG 41 HH22 ARG 41 14.482 7.103 2.957
320 1HH2 ARG 41 HH11 ARG 41 14.799 4.250 4.891
321 2HH2 ARG 41 HH12 ARG 41 15.315 5.887 4.656
322 H GLU 42 HN GLU 42 6.891 5.935 0.118
323 HA GLU 42 HA GLU 42 5.107 4.593 2.092
324 1HB GLU 42 HB2 GLU 42 3.722 6.563 2.258
325 2HB GLU 42 HB1 GLU 42 5.386 7.079 2.533
326 1HG GLU 42 HG2 GLU 42 5.583 7.881 0.261
327 2HG GLU 42 HG1 GLU 42 4.016 7.193 -0.167
328 H ALA 43 HN ALA 43 3.203 3.719 1.146
329 HA ALA 43 HA ALA 43 3.073 3.974 -1.846
330 1HB ALA 43 HB1 ALA 43 3.085 1.733 0.033
331 2HB ALA 43 HB3 ALA 43 1.693 1.669 -1.048
332 3HB ALA 43 HB2 ALA 43 3.325 1.718 -1.714
333 H VAL 44 HN VAL 44 1.179 4.862 -2.626
334 HA VAL 44 HA VAL 44 -1.027 5.313 -0.654
335 HB VAL 44 HB VAL 44 0.175 7.204 -1.872
336 1HG1 VAL 44 HG11 VAL 44 0.121 5.707 -4.044
337 2HG1 VAL 44 HG13 VAL 44 -1.464 6.447 -4.269
338 3HG1 VAL 44 HG12 VAL 44 -0.023 7.459 -4.181
339 1HG2 VAL 44 HG23 VAL 44 -2.568 6.814 -1.311
340 2HG2 VAL 44 HG22 VAL 44 -1.730 8.354 -1.503
341 3HG2 VAL 44 HG21 VAL 44 -2.503 7.593 -2.893
342 H VAL 45 HN VAL 45 -2.857 4.123 -0.919
343 HA VAL 45 HA VAL 45 -3.346 2.959 -3.640
344 HB VAL 45 HB VAL 45 -3.355 1.713 -0.895
345 1HG1 VAL 45 HG11 VAL 45 -4.947 1.013 -3.286
346 2HG1 VAL 45 HG13 VAL 45 -4.028 -0.323 -2.594
347 3HG1 VAL 45 HG12 VAL 45 -5.189 0.557 -1.600
348 1HG2 VAL 45 HG21 VAL 45 -1.594 1.774 -3.180
349 2HG2 VAL 45 HG23 VAL 45 -1.331 1.026 -1.605
350 3HG2 VAL 45 HG22 VAL 45 -2.132 0.122 -2.888
351 H THR 46 HN THR 46 -5.425 2.804 -4.301
352 HA THR 46 HA THR 46 -7.559 4.051 -2.607
353 HB THR 46 HB THR 46 -6.907 3.855 -5.543
354 HG1 THR 46 HG1 THR 46 -6.593 5.885 -5.204
355 1HG2 THR 46 HG21 THR 46 -9.635 4.076 -4.308
356 2HG2 THR 46 HG23 THR 46 -9.289 4.910 -5.824
357 3HG2 THR 46 HG22 THR 46 -9.126 3.156 -5.724
358 H PHE 47 HN PHE 47 -9.676 2.871 -2.704
359 HA PHE 47 HA PHE 47 -9.791 0.280 -4.010
360 1HB PHE 47 HB2 PHE 47 -9.655 -1.048 -1.923
361 2HB PHE 47 HB1 PHE 47 -8.156 -0.166 -2.221
362 HD1 PHE 47 HD2 PHE 47 -11.294 -0.209 -0.192
363 HD2 PHE 47 HD1 PHE 47 -7.452 1.631 -0.820
364 HE1 PHE 47 HE2 PHE 47 -11.501 0.961 1.970
365 HE2 PHE 47 HE1 PHE 47 -7.670 2.805 1.347
366 HZ PHE 47 HZ PHE 47 -9.678 2.470 2.744
367 H ASP 48 HN ASP 48 -11.537 -1.076 -2.698
368 HA ASP 48 HA ASP 48 -13.841 0.781 -2.283
369 1HB ASP 48 HB2 ASP 48 -13.779 -2.194 -2.909
370 2HB ASP 48 HB1 ASP 48 -15.191 -1.138 -2.972
371 H ASP 49 HN ASP 49 -14.607 0.870 -0.179
372 HA ASP 49 HA ASP 49 -13.215 -0.702 1.847
373 1HB ASP 49 HB2 ASP 49 -13.796 1.633 2.185
374 2HB ASP 49 HB1 ASP 49 -15.504 1.276 1.936
375 H THR 50 HN THR 50 -14.851 -2.310 0.022
376 HA THR 50 HA THR 50 -16.894 -3.386 1.928
377 HB THR 50 HB THR 50 -17.828 -4.300 -0.325
378 HG1 THR 50 HG1 THR 50 -16.226 -3.895 -1.723
379 1HG2 THR 50 HG22 THR 50 -17.833 -1.464 0.644
380 2HG2 THR 50 HG21 THR 50 -18.659 -1.853 -0.865
381 3HG2 THR 50 HG23 THR 50 -19.144 -2.643 0.635
382 H LYS 51 HN LYS 51 -13.999 -3.974 0.147
383 HA LYS 51 HA LYS 51 -14.065 -6.852 0.969
384 1HB LYS 51 HB2 LYS 51 -13.114 -5.610 -1.633
385 2HB LYS 51 HB1 LYS 51 -12.923 -7.311 -1.208
386 1HG LYS 51 HG2 LYS 51 -15.433 -7.427 -0.918
387 2HG LYS 51 HG1 LYS 51 -15.519 -5.805 -1.606
388 1HD LYS 51 HD2 LYS 51 -15.416 -6.675 -3.675
389 2HD LYS 51 HD1 LYS 51 -13.842 -7.375 -3.296
390 1HE LYS 51 HE2 LYS 51 -14.722 -9.462 -2.888
391 2HE LYS 51 HE1 LYS 51 -16.221 -8.804 -2.203
392 1HZ LYS 51 HZ1 LYS 51 -16.853 -8.064 -4.429
393 2HZ LYS 51 HZ3 LYS 51 -15.448 -8.763 -5.073
394 3HZ LYS 51 HZ2 LYS 51 -16.645 -9.750 -4.380
395 H ALA 52 HN ALA 52 -12.570 -3.916 1.374
396 HA ALA 52 HA ALA 52 -10.270 -4.992 2.711
397 1HB ALA 52 HB2 ALA 52 -10.011 -4.100 -0.166
398 2HB ALA 52 HB1 ALA 52 -8.625 -4.113 0.925
399 3HB ALA 52 HB3 ALA 52 -9.471 -5.616 0.556
400 H SER 53 HN SER 53 -8.526 -3.061 2.866
401 HA SER 53 HA SER 53 -9.276 -0.355 2.496
402 1HB SER 53 HB2 SER 53 -10.015 0.037 4.938
403 2HB SER 53 HB1 SER 53 -11.181 -0.742 3.873
404 HG SER 53 HG SER 53 -11.103 -2.392 5.156
405 H VAL 54 HN VAL 54 -8.126 1.014 4.465
406 HA VAL 54 HA VAL 54 -5.402 0.819 4.312
407 HB VAL 54 HB VAL 54 -6.412 2.595 5.549
408 1HG1 VAL 54 HG13 VAL 54 -8.397 1.261 6.270
409 2HG1 VAL 54 HG12 VAL 54 -7.393 0.484 7.493
410 3HG1 VAL 54 HG11 VAL 54 -7.712 2.216 7.584
411 1HG2 VAL 54 HG23 VAL 54 -4.208 1.349 6.461
412 2HG2 VAL 54 HG22 VAL 54 -4.900 2.744 7.288
413 3HG2 VAL 54 HG21 VAL 54 -5.246 1.117 7.866
414 H GLN 55 HN GLN 55 -7.432 -1.113 6.526
415 HA GLN 55 HA GLN 55 -5.372 -2.380 7.995
416 1HB GLN 55 HB2 GLN 55 -7.845 -2.469 8.392
417 2HB GLN 55 HB1 GLN 55 -7.993 -3.550 7.005
418 1HG GLN 55 HG2 GLN 55 -7.079 -5.328 8.121
419 2HG GLN 55 HG1 GLN 55 -5.970 -4.311 9.041
420 1HE2 GLN 55 HE22 GLN 55 -9.832 -4.627 10.446
421 2HE2 GLN 55 HE21 GLN 55 -9.560 -4.668 8.770
422 H LYS 56 HN LYS 56 -6.962 -3.493 4.981
423 HA LYS 56 HA LYS 56 -5.086 -5.703 4.656
424 1HB LYS 56 HB2 LYS 56 -7.199 -4.458 2.872
425 2HB LYS 56 HB1 LYS 56 -6.385 -5.988 2.539
426 1HG LYS 56 HG2 LYS 56 -7.899 -5.459 5.108
427 2HG LYS 56 HG1 LYS 56 -8.649 -6.190 3.689
428 1HD LYS 56 HD2 LYS 56 -6.480 -7.762 3.851
429 2HD LYS 56 HD1 LYS 56 -6.616 -7.319 5.553
430 1HE LYS 56 HE2 LYS 56 -8.745 -8.305 5.773
431 2HE LYS 56 HE1 LYS 56 -9.038 -8.277 4.022
432 1HZ LYS 56 HZ2 LYS 56 -6.804 -9.671 4.073
433 2HZ LYS 56 HZ1 LYS 56 -7.404 -10.112 5.600
434 3HZ LYS 56 HZ3 LYS 56 -8.326 -10.412 4.208
435 H LEU 57 HN LEU 57 -4.964 -2.335 3.806
436 HA LEU 57 HA LEU 57 -3.291 -2.701 1.428
437 1HB LEU 57 HB2 LEU 57 -3.766 -0.320 3.255
438 2HB LEU 57 HB1 LEU 57 -3.028 -0.251 1.657
439 HG LEU 57 HG LEU 57 -5.846 -1.208 2.229
440 1HD1 LEU 57 HD13 LEU 57 -4.641 1.422 1.445
441 2HD1 LEU 57 HD12 LEU 57 -6.228 0.990 0.808
442 3HD1 LEU 57 HD11 LEU 57 -5.975 1.091 2.550
443 1HD2 LEU 57 HD22 LEU 57 -4.782 -2.245 0.226
444 2HD2 LEU 57 HD21 LEU 57 -6.094 -1.156 -0.222
445 3HD2 LEU 57 HD23 LEU 57 -4.418 -0.635 -0.394
446 H THR 58 HN THR 58 -2.726 -1.436 4.728
447 HA THR 58 HA THR 58 0.116 -1.412 4.627
448 HB THR 58 HB THR 58 -1.698 -2.008 6.988
449 HG1 THR 58 HG1 THR 58 -2.436 -0.076 6.739
450 1HG2 THR 58 HG23 THR 58 1.106 -1.644 6.729
451 2HG2 THR 58 HG22 THR 58 0.460 -0.198 7.503
452 3HG2 THR 58 HG21 THR 58 0.166 -1.782 8.216
453 H LYS 59 HN LYS 59 -2.208 -4.013 5.181
454 HA LYS 59 HA LYS 59 -0.240 -5.913 6.121
455 1HB LYS 59 HB2 LYS 59 -2.943 -5.661 6.254
456 2HB LYS 59 HB1 LYS 59 -2.800 -6.823 4.936
457 1HG LYS 59 HG2 LYS 59 -0.967 -7.532 7.045
458 2HG LYS 59 HG1 LYS 59 -2.589 -7.339 7.712
459 1HD LYS 59 HD2 LYS 59 -3.112 -8.708 5.394
460 2HD LYS 59 HD1 LYS 59 -1.552 -9.387 5.864
461 1HE LYS 59 HE2 LYS 59 -3.149 -9.165 8.230
462 2HE LYS 59 HE1 LYS 59 -4.115 -9.981 6.983
463 1HZ LYS 59 HZ3 LYS 59 -1.275 -10.650 7.520
464 2HZ LYS 59 HZ2 LYS 59 -2.564 -11.460 8.275
465 3HZ LYS 59 HZ1 LYS 59 -2.390 -11.525 6.587
466 H ALA 60 HN ALA 60 -1.512 -4.908 3.021
467 HA ALA 60 HA ALA 60 -0.663 -7.218 1.533
468 1HB ALA 60 HB3 ALA 60 -2.170 -4.908 1.129
469 2HB ALA 60 HB2 ALA 60 -0.764 -4.675 0.091
470 3HB ALA 60 HB1 ALA 60 -1.779 -6.103 -0.107
471 H THR 61 HN THR 61 0.733 -3.976 2.085
472 HA THR 61 HA THR 61 3.179 -4.543 0.627
473 HB THR 61 HB THR 61 2.210 -2.269 1.089
474 HG1 THR 61 HG1 THR 61 4.796 -3.002 1.862
475 1HG2 THR 61 HG21 THR 61 1.445 -2.824 3.399
476 2HG2 THR 61 HG23 THR 61 3.128 -2.818 3.923
477 3HG2 THR 61 HG22 THR 61 2.386 -1.333 3.329
478 H ALA 62 HN ALA 62 2.005 -4.792 3.876
479 HA ALA 62 HA ALA 62 4.446 -5.366 5.250
480 1HB ALA 62 HB2 ALA 62 1.561 -6.197 5.703
481 2HB ALA 62 HB1 ALA 62 2.841 -6.409 6.898
482 3HB ALA 62 HB3 ALA 62 2.369 -4.788 6.389
483 H ASP 63 HN ASP 63 2.183 -7.352 3.392
484 HA ASP 63 HA ASP 63 3.705 -9.822 3.992
485 1HB ASP 63 HB2 ASP 63 1.161 -9.608 3.867
486 2HB ASP 63 HB1 ASP 63 1.352 -9.393 2.127
487 H ALA 64 HN ALA 64 3.830 -7.243 1.802
488 HA ALA 64 HA ALA 64 4.696 -8.745 -0.556
489 1HB ALA 64 HB2 ALA 64 3.659 -6.264 -0.055
490 2HB ALA 64 HB1 ALA 64 5.371 -5.877 -0.212
491 3HB ALA 64 HB3 ALA 64 4.522 -6.674 -1.537
492 H GLY 65 HN GLY 65 6.095 -7.341 2.305
493 1HA GLY 65 HA2 GLY 65 8.359 -8.578 2.724
494 2HA GLY 65 HA1 GLY 65 8.829 -7.797 1.220
495 H TYR 66 HN TYR 66 6.745 -5.894 3.254
496 HA TYR 66 HA TYR 66 9.109 -4.530 4.460
497 1HB TYR 66 HB2 TYR 66 6.914 -3.145 2.910
498 2HB TYR 66 HB1 TYR 66 8.402 -2.427 3.520
499 HD1 TYR 66 HD1 TYR 66 10.594 -3.793 2.738
500 HD2 TYR 66 HD2 TYR 66 6.825 -3.633 0.720
501 HE1 TYR 66 HE1 TYR 66 11.719 -4.341 0.612
502 HE2 TYR 66 HE2 TYR 66 7.930 -4.168 -1.412
503 HH TYR 66 HH TYR 66 10.772 -5.533 -1.720
504 HA PRO 67 HA PRO 67 5.992 -4.636 7.772
505 1HB PRO 67 HB2 PRO 67 7.923 -3.278 9.421
506 2HB PRO 67 HB1 PRO 67 7.449 -4.977 9.498
507 1HG PRO 67 HG2 PRO 67 9.933 -3.881 8.554
508 2HG PRO 67 HG1 PRO 67 9.459 -5.580 8.648
509 1HD PRO 67 HD2 PRO 67 9.750 -3.958 6.283
510 2HD PRO 67 HD1 PRO 67 9.246 -5.663 6.379
511 H SER 68 HN SER 68 4.662 -2.996 6.768
512 HA SER 68 HA SER 68 5.629 -0.182 7.012
513 1HB SER 68 HB2 SER 68 4.972 -0.225 4.854
514 2HB SER 68 HB1 SER 68 4.224 -1.803 5.065
515 HG SER 68 HG SER 68 2.895 0.213 4.544
516 H SER 69 HN SER 69 3.395 1.243 6.904
517 HA SER 69 HA SER 69 1.445 0.399 8.964
518 1HB SER 69 HB2 SER 69 3.052 2.965 9.140
519 2HB SER 69 HB1 SER 69 1.961 2.305 10.354
520 HG SER 69 HG SER 69 3.467 0.945 10.972
521 H VAL 70 HN VAL 70 0.244 2.953 9.174
522 HA VAL 70 HA VAL 70 -0.234 3.719 6.345
523 HB VAL 70 HB VAL 70 -1.727 1.923 7.315
524 1HG1 VAL 70 HG13 VAL 70 -1.859 3.411 9.515
525 2HG1 VAL 70 HG12 VAL 70 -3.231 4.128 8.671
526 3HG1 VAL 70 HG11 VAL 70 -3.219 2.401 9.025
527 1HG2 VAL 70 HG21 VAL 70 -2.273 4.154 5.649
528 2HG2 VAL 70 HG23 VAL 70 -3.128 2.614 5.670
529 3HG2 VAL 70 HG22 VAL 70 -3.690 3.951 6.672
530 H LYS 71 HN LYS 71 -1.444 5.753 6.123
531 HA LYS 71 HA LYS 71 -1.103 7.533 8.522
532 1HB LYS 71 HB2 LYS 71 -0.851 8.612 5.747
533 2HB LYS 71 HB1 LYS 71 0.003 9.098 7.210
534 1HG LYS 71 HG2 LYS 71 1.369 7.078 7.131
535 2HG LYS 71 HG1 LYS 71 0.471 6.498 5.728
536 1HD LYS 71 HD2 LYS 71 2.143 7.496 4.555
537 2HD LYS 71 HD1 LYS 71 1.203 8.959 4.851
538 1HE LYS 71 HE2 LYS 71 3.554 9.341 5.489
539 2HE LYS 71 HE1 LYS 71 2.541 9.335 6.947
540 1HZ LYS 71 HZ3 LYS 71 3.646 6.804 5.935
541 2HZ LYS 71 HZ2 LYS 71 4.642 7.833 6.850
542 3HZ LYS 71 HZ1 LYS 71 3.204 7.224 7.518
543 H GLN 72 HN GLN 72 -3.354 6.050 7.383
544 HA GLN 72 HA GLN 72 -5.642 6.388 6.793
545 1HB GLN 72 HB2 GLN 72 -4.730 8.229 8.905
546 2HB GLN 72 HB1 GLN 72 -6.224 8.736 8.114
547 1HG GLN 72 HG2 GLN 72 -6.899 6.208 8.424
548 2HG GLN 72 HG1 GLN 72 -5.670 6.241 9.687
549 1HE2 GLN 72 HE22 GLN 72 -7.737 9.198 11.058
550 2HE2 GLN 72 HE21 GLN 72 -6.308 9.220 10.143
No H/Q in entry = 550
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 17.081 4.990 -0.349
2 2H ALA 1 HT3 ALA 1 18.259 4.186 0.570
3 3H ALA 1 HT2 ALA 1 18.293 4.088 -1.126
4 HA ALA 1 HA ALA 1 16.397 2.721 -1.213
5 1HB ALA 1 HB3 ALA 1 18.760 2.135 0.159
6 2HB ALA 1 HB2 ALA 1 17.488 1.487 1.196
7 3HB ALA 1 HB1 ALA 1 17.614 0.956 -0.481
8 H THR 2 HN THR 2 15.157 4.838 -0.028
9 HA THR 2 HA THR 2 13.405 3.591 1.956
10 HB THR 2 HB THR 2 13.836 6.100 2.985
11 HG1 THR 2 HG1 THR 2 16.117 6.269 3.087
12 1HG2 THR 2 HG22 THR 2 14.122 3.437 3.784
13 2HG2 THR 2 HG21 THR 2 15.676 4.186 4.148
14 3HG2 THR 2 HG23 THR 2 14.194 4.857 4.828
15 H GLN 3 HN GLN 3 11.886 3.785 0.192
16 HA GLN 3 HA GLN 3 11.302 6.591 -0.685
17 1HB GLN 3 HB2 GLN 3 11.834 4.252 -2.070
18 2HB GLN 3 HB1 GLN 3 10.079 4.395 -2.180
19 1HG GLN 3 HG2 GLN 3 10.838 6.976 -2.651
20 2HG GLN 3 HG1 GLN 3 12.185 6.094 -3.371
21 1HE2 GLN 3 HE22 GLN 3 9.992 6.047 -6.210
22 2HE2 GLN 3 HE21 GLN 3 11.285 6.889 -5.504
23 H THR 4 HN THR 4 9.046 7.128 -1.095
24 HA THR 4 HA THR 4 7.055 5.580 0.517
25 HB THR 4 HB THR 4 7.414 8.596 0.474
26 HG1 THR 4 HG1 THR 4 8.362 6.583 2.199
27 1HG2 THR 4 HG23 THR 4 5.150 7.372 1.024
28 2HG2 THR 4 HG22 THR 4 5.943 7.028 2.562
29 3HG2 THR 4 HG21 THR 4 5.705 8.698 2.047
30 H VAL 5 HN VAL 5 5.149 5.308 -0.633
31 HA VAL 5 HA VAL 5 4.572 7.172 -2.926
32 HB VAL 5 HB VAL 5 4.304 4.171 -3.059
33 1HG1 VAL 5 HG11 VAL 5 4.394 6.438 -5.054
34 2HG1 VAL 5 HG13 VAL 5 4.540 4.748 -5.532
35 3HG1 VAL 5 HG12 VAL 5 3.065 5.321 -4.752
36 1HG2 VAL 5 HG22 VAL 5 6.727 5.886 -3.324
37 2HG2 VAL 5 HG21 VAL 5 6.600 4.190 -2.856
38 3HG2 VAL 5 HG23 VAL 5 6.502 4.646 -4.557
39 H THR 6 HN THR 6 2.310 6.796 -3.695
40 HA THR 6 HA THR 6 0.525 6.174 -1.392
41 HB THR 6 HB THR 6 -1.027 7.477 -3.135
42 HG1 THR 6 HG1 THR 6 0.835 7.398 -4.632
43 1HG2 THR 6 HG21 THR 6 0.974 8.466 -1.173
44 2HG2 THR 6 HG23 THR 6 0.178 9.664 -2.192
45 3HG2 THR 6 HG22 THR 6 -0.784 8.612 -1.154
46 H LEU 7 HN LEU 7 -1.403 4.841 -2.015
47 HA LEU 7 HA LEU 7 -0.918 3.374 -4.582
48 1HB LEU 7 HB2 LEU 7 -0.858 2.490 -1.806
49 2HB LEU 7 HB1 LEU 7 -1.995 1.545 -2.764
50 HG LEU 7 HG LEU 7 -0.318 0.897 -4.306
51 1HD1 LEU 7 HD11 LEU 7 1.234 3.168 -3.124
52 2HD1 LEU 7 HD13 LEU 7 2.064 1.856 -3.957
53 3HD1 LEU 7 HD12 LEU 7 0.875 2.830 -4.812
54 1HD2 LEU 7 HD23 LEU 7 0.877 0.970 -1.521
55 2HD2 LEU 7 HD22 LEU 7 -0.064 -0.344 -2.227
56 3HD2 LEU 7 HD21 LEU 7 1.547 0.021 -2.846
57 H ALA 8 HN ALA 8 -2.804 2.373 -5.481
58 HA ALA 8 HA ALA 8 -5.344 3.766 -4.685
59 1HB ALA 8 HB1 ALA 8 -4.119 2.788 -7.251
60 2HB ALA 8 HB3 ALA 8 -5.870 2.957 -7.145
61 3HB ALA 8 HB2 ALA 8 -4.832 4.360 -6.891
62 H VAL 9 HN VAL 9 -6.563 2.373 -3.435
63 HA VAL 9 HA VAL 9 -6.659 -0.510 -4.261
64 HB VAL 9 HB VAL 9 -5.686 -0.415 -2.115
65 1HG1 VAL 9 HG12 VAL 9 -7.653 1.818 -1.532
66 2HG1 VAL 9 HG11 VAL 9 -6.607 1.096 -0.310
67 3HG1 VAL 9 HG13 VAL 9 -5.901 1.953 -1.679
68 1HG2 VAL 9 HG23 VAL 9 -8.313 -1.377 -2.331
69 2HG2 VAL 9 HG22 VAL 9 -7.146 -1.784 -1.076
70 3HG2 VAL 9 HG21 VAL 9 -8.289 -0.466 -0.822
71 HA PRO 10 HA PRO 10 -10.927 0.989 -4.945
72 1HB PRO 10 HB2 PRO 10 -11.299 -0.872 -7.003
73 2HB PRO 10 HB1 PRO 10 -10.758 0.797 -7.213
74 1HG PRO 10 HG2 PRO 10 -9.239 -1.663 -7.552
75 2HG PRO 10 HG1 PRO 10 -8.780 -0.012 -7.979
76 1HD PRO 10 HD2 PRO 10 -7.864 -1.592 -5.730
77 2HD PRO 10 HD1 PRO 10 -7.366 0.055 -6.190
78 H GLY 11 HN GLY 11 -10.414 -0.761 -2.765
79 1HA GLY 11 HA2 GLY 11 -11.944 -3.238 -3.254
80 2HA GLY 11 HA1 GLY 11 -11.111 -2.809 -1.761
81 H MET 12 HN MET 12 -12.215 -0.222 -1.411
82 HA MET 12 HA MET 12 -14.029 0.617 -0.120
83 1HB MET 12 HB2 MET 12 -15.938 0.937 -1.593
84 2HB MET 12 HB1 MET 12 -14.472 1.028 -2.570
85 1HG MET 12 HG2 MET 12 -14.773 -1.222 -3.369
86 2HG MET 12 HG1 MET 12 -16.080 -1.514 -2.222
87 1HE MET 12 HE2 MET 12 -18.311 -0.442 -2.216
88 2HE MET 12 HE1 MET 12 -19.162 -0.403 -3.757
89 3HE MET 12 HE3 MET 12 -18.278 -1.855 -3.268
90 H THR 13 HN THR 13 -13.400 -1.995 0.700
91 HA THR 13 HA THR 13 -15.722 -3.722 0.804
92 HB THR 13 HB THR 13 -14.137 -4.414 2.929
93 HG1 THR 13 HG1 THR 13 -12.081 -3.837 2.521
94 1HG2 THR 13 HG22 THR 13 -14.048 -5.011 -0.003
95 2HG2 THR 13 HG21 THR 13 -12.809 -5.696 1.049
96 3HG2 THR 13 HG23 THR 13 -14.510 -6.060 1.337
97 H CYS 14 HN CYS 14 -15.310 -0.713 2.088
98 HA CYS 14 HA CYS 14 -16.674 0.470 3.609
99 1HB CYS 14 HB2 CYS 14 -18.198 -1.618 3.093
100 2HB CYS 14 HB1 CYS 14 -17.684 -2.151 4.694
101 HG CYS 14 HG CYS 14 -18.563 0.624 5.084
102 H ALA 15 HN ALA 15 -14.873 1.153 4.806
103 HA ALA 15 HA ALA 15 -13.430 1.261 6.674
104 1HB ALA 15 HB1 ALA 15 -15.752 1.137 7.670
105 2HB ALA 15 HB3 ALA 15 -15.524 -0.604 7.834
106 3HB ALA 15 HB2 ALA 15 -14.486 0.508 8.725
107 H ALA 16 HN ALA 16 -13.271 -1.078 4.667
108 HA ALA 16 HA ALA 16 -11.707 -2.931 6.449
109 1HB ALA 16 HB1 ALA 16 -13.764 -3.321 4.355
110 2HB ALA 16 HB3 ALA 16 -12.390 -4.423 4.266
111 3HB ALA 16 HB2 ALA 16 -13.363 -4.343 5.735
112 H CYS 17 HN CYS 17 -12.044 -1.759 3.108
113 HA CYS 17 HA CYS 17 -9.742 -2.622 1.888
114 1HB CYS 17 HB2 CYS 17 -9.800 0.161 1.288
115 2HB CYS 17 HB1 CYS 17 -10.439 -1.162 0.330
116 HG CYS 17 HG CYS 17 -12.234 0.194 2.506
117 HA PRO 18 HA PRO 18 -6.969 0.974 3.673
118 1HB PRO 18 HB2 PRO 18 -8.167 2.048 5.999
119 2HB PRO 18 HB1 PRO 18 -7.996 2.833 4.424
120 1HG PRO 18 HG2 PRO 18 -10.382 1.658 5.673
121 2HG PRO 18 HG1 PRO 18 -10.266 2.799 4.332
122 1HD PRO 18 HD2 PRO 18 -10.966 0.098 4.097
123 2HD PRO 18 HD1 PRO 18 -10.402 1.142 2.768
124 H ILE 19 HN ILE 19 -8.716 -1.243 5.799
125 HA ILE 19 HA ILE 19 -6.574 -1.165 7.830
126 HB ILE 19 HB ILE 19 -9.157 -2.718 7.494
127 1HG1 ILE 19 HG12 ILE 19 -8.332 -0.368 9.229
128 2HG1 ILE 19 HG11 ILE 19 -9.478 -0.331 7.890
129 1HG2 ILE 19 HG21 ILE 19 -6.926 -3.311 9.143
130 2HG2 ILE 19 HG23 ILE 19 -8.165 -2.620 10.192
131 3HG2 ILE 19 HG22 ILE 19 -8.533 -4.036 9.206
132 1HD1 ILE 19 HD13 ILE 19 -10.838 -2.064 9.177
133 2HD1 ILE 19 HD12 ILE 19 -9.789 -1.727 10.554
134 3HD1 ILE 19 HD11 ILE 19 -10.797 -0.447 9.880
135 H THR 20 HN THR 20 -7.802 -3.330 5.335
136 HA THR 20 HA THR 20 -6.016 -5.532 5.995
137 HB THR 20 HB THR 20 -8.134 -4.758 4.084
138 HG1 THR 20 HG1 THR 20 -8.980 -6.357 5.119
139 1HG2 THR 20 HG22 THR 20 -6.278 -5.315 2.537
140 2HG2 THR 20 HG21 THR 20 -6.132 -6.890 3.317
141 3HG2 THR 20 HG23 THR 20 -7.606 -6.473 2.443
142 H VAL 21 HN VAL 21 -6.150 -2.914 3.612
143 HA VAL 21 HA VAL 21 -3.811 -3.636 2.143
144 HB VAL 21 HB VAL 21 -5.363 -1.086 2.639
145 1HG1 VAL 21 HG13 VAL 21 -2.949 -1.578 0.896
146 2HG1 VAL 21 HG12 VAL 21 -4.093 -0.283 0.554
147 3HG1 VAL 21 HG11 VAL 21 -3.195 -0.289 2.072
148 1HG2 VAL 21 HG21 VAL 21 -5.354 -3.285 0.627
149 2HG2 VAL 21 HG23 VAL 21 -6.710 -2.367 1.281
150 3HG2 VAL 21 HG22 VAL 21 -5.681 -1.656 0.037
151 H LYS 22 HN LYS 22 -4.396 -1.325 4.789
152 HA LYS 22 HA LYS 22 -1.786 -0.310 5.103
153 1HB LYS 22 HB2 LYS 22 -3.742 0.523 6.300
154 2HB LYS 22 HB1 LYS 22 -3.915 -1.014 7.149
155 1HG LYS 22 HG2 LYS 22 -1.634 -0.661 8.134
156 2HG LYS 22 HG1 LYS 22 -1.611 0.940 7.395
157 1HD LYS 22 HD2 LYS 22 -3.456 1.685 8.708
158 2HD LYS 22 HD1 LYS 22 -3.843 0.044 9.225
159 1HE LYS 22 HE2 LYS 22 -1.085 0.896 9.870
160 2HE LYS 22 HE1 LYS 22 -2.360 1.786 10.727
161 1HZ LYS 22 HZ1 LYS 22 -2.546 -1.139 10.432
162 2HZ LYS 22 HZ3 LYS 22 -1.579 -0.483 11.660
163 3HZ LYS 22 HZ2 LYS 22 -3.240 -0.135 11.614
164 H LYS 23 HN LYS 23 -3.210 -3.283 6.495
165 HA LYS 23 HA LYS 23 -0.794 -4.032 7.898
166 1HB LYS 23 HB2 LYS 23 -3.187 -5.660 7.004
167 2HB LYS 23 HB1 LYS 23 -2.044 -6.116 8.268
168 1HG LYS 23 HG2 LYS 23 -3.447 -3.470 8.454
169 2HG LYS 23 HG1 LYS 23 -4.310 -4.936 8.920
170 1HD LYS 23 HD2 LYS 23 -1.963 -5.360 10.203
171 2HD LYS 23 HD1 LYS 23 -2.009 -3.597 10.234
172 1HE LYS 23 HE2 LYS 23 -4.565 -4.106 10.963
173 2HE LYS 23 HE1 LYS 23 -3.775 -5.553 11.618
174 1HZ LYS 23 HZ2 LYS 23 -2.364 -3.031 11.971
175 2HZ LYS 23 HZ1 LYS 23 -3.778 -3.225 12.893
176 3HZ LYS 23 HZ3 LYS 23 -2.515 -4.348 13.034
177 H ALA 24 HN ALA 24 -1.839 -4.431 4.618
178 HA ALA 24 HA ALA 24 -0.209 -6.726 3.998
179 1HB ALA 24 HB1 ALA 24 -2.247 -5.172 2.830
180 2HB ALA 24 HB3 ALA 24 -0.859 -5.018 1.753
181 3HB ALA 24 HB2 ALA 24 -1.498 -6.615 2.145
182 H LEU 25 HN LEU 25 0.034 -3.320 2.929
183 HA LEU 25 HA LEU 25 2.646 -3.449 1.854
184 1HB LEU 25 HB2 LEU 25 1.163 -1.207 3.264
185 2HB LEU 25 HB1 LEU 25 2.538 -0.988 2.181
186 HG LEU 25 HG LEU 25 0.891 -2.556 0.661
187 1HD1 LEU 25 HD12 LEU 25 -0.729 -1.190 2.683
188 2HD1 LEU 25 HD11 LEU 25 -1.242 -0.877 1.026
189 3HD1 LEU 25 HD13 LEU 25 -1.148 -2.535 1.620
190 1HD2 LEU 25 HD21 LEU 25 1.746 0.210 0.809
191 2HD2 LEU 25 HD23 LEU 25 1.486 -0.796 -0.615
192 3HD2 LEU 25 HD22 LEU 25 0.137 0.087 0.098
193 H SER 26 HN SER 26 1.529 -2.889 5.161
194 HA SER 26 HA SER 26 4.132 -2.207 6.258
195 1HB SER 26 HB2 SER 26 1.553 -2.021 7.069
196 2HB SER 26 HB1 SER 26 2.010 -3.493 7.918
197 HG SER 26 HG SER 26 4.004 -1.839 8.247
198 H LYS 27 HN LYS 27 2.409 -5.212 5.577
199 HA LYS 27 HA LYS 27 4.364 -6.770 7.127
200 1HB LYS 27 HB2 LYS 27 2.286 -7.727 7.402
201 2HB LYS 27 HB1 LYS 27 1.714 -7.135 5.849
202 1HG LYS 27 HG2 LYS 27 3.795 -9.289 5.933
203 2HG LYS 27 HG1 LYS 27 2.093 -9.697 6.158
204 1HD LYS 27 HD2 LYS 27 2.408 -7.842 3.958
205 2HD LYS 27 HD1 LYS 27 3.406 -9.275 3.707
206 1HE LYS 27 HE2 LYS 27 1.230 -10.574 4.457
207 2HE LYS 27 HE1 LYS 27 0.416 -9.076 3.963
208 1HZ LYS 27 HZ3 LYS 27 1.652 -9.176 1.861
209 2HZ LYS 27 HZ2 LYS 27 2.314 -10.671 2.322
210 3HZ LYS 27 HZ1 LYS 27 0.641 -10.523 2.063
211 H VAL 28 HN VAL 28 4.199 -5.412 4.072
212 HA VAL 28 HA VAL 28 4.993 -7.274 2.183
213 HB VAL 28 HB VAL 28 5.731 -4.438 2.839
214 1HG1 VAL 28 HG12 VAL 28 7.301 -6.247 1.130
215 2HG1 VAL 28 HG11 VAL 28 6.757 -4.790 0.298
216 3HG1 VAL 28 HG13 VAL 28 7.722 -4.658 1.767
217 1HG2 VAL 28 HG22 VAL 28 3.596 -5.434 1.629
218 2HG2 VAL 28 HG21 VAL 28 4.324 -3.930 1.066
219 3HG2 VAL 28 HG23 VAL 28 4.663 -5.442 0.225
220 H GLU 29 HN GLU 29 7.573 -5.329 3.593
221 HA GLU 29 HA GLU 29 9.049 -7.330 4.954
222 1HB GLU 29 HB2 GLU 29 9.060 -7.422 2.015
223 2HB GLU 29 HB1 GLU 29 10.681 -7.362 2.712
224 1HG GLU 29 HG2 GLU 29 8.974 -9.171 4.207
225 2HG GLU 29 HG1 GLU 29 9.038 -9.624 2.503
226 H GLY 30 HN GLY 30 10.204 -5.232 2.311
227 1HA GLY 30 HA2 GLY 30 12.119 -3.917 4.033
228 2HA GLY 30 HA1 GLY 30 11.704 -3.418 2.391
229 H VAL 31 HN VAL 31 8.774 -3.493 3.347
230 HA VAL 31 HA VAL 31 8.293 -0.750 3.703
231 HB VAL 31 HB VAL 31 6.728 -2.755 3.273
232 1HG1 VAL 31 HG12 VAL 31 7.465 -3.866 5.458
233 2HG1 VAL 31 HG11 VAL 31 6.472 -2.666 6.285
234 3HG1 VAL 31 HG13 VAL 31 5.728 -3.808 5.165
235 1HG2 VAL 31 HG22 VAL 31 6.252 -0.248 4.778
236 2HG2 VAL 31 HG21 VAL 31 5.510 -0.822 3.285
237 3HG2 VAL 31 HG23 VAL 31 4.947 -1.427 4.841
238 H SER 32 HN SER 32 8.354 0.617 5.340
239 HA SER 32 HA SER 32 9.137 -0.438 8.034
240 1HB SER 32 HB2 SER 32 10.744 0.955 6.437
241 2HB SER 32 HB1 SER 32 9.836 2.317 7.087
242 HG SER 32 HG SER 32 10.318 1.079 9.192
243 H LYS 33 HN LYS 33 6.889 1.351 6.195
244 HA LYS 33 HA LYS 33 5.327 1.951 8.620
245 1HB LYS 33 HB2 LYS 33 6.671 3.851 8.811
246 2HB LYS 33 HB1 LYS 33 6.901 3.987 7.072
247 1HG LYS 33 HG2 LYS 33 4.923 5.130 6.760
248 2HG LYS 33 HG1 LYS 33 4.127 4.330 8.113
249 1HD LYS 33 HD2 LYS 33 4.649 6.777 8.496
250 2HD LYS 33 HD1 LYS 33 5.302 5.682 9.715
251 1HE LYS 33 HE2 LYS 33 7.255 5.854 7.653
252 2HE LYS 33 HE1 LYS 33 6.744 7.511 8.030
253 1HZ LYS 33 HZ3 LYS 33 6.812 6.579 10.461
254 2HZ LYS 33 HZ2 LYS 33 7.929 5.489 9.793
255 3HZ LYS 33 HZ1 LYS 33 8.222 7.161 9.720
256 H VAL 34 HN VAL 34 3.161 2.795 8.036
257 HA VAL 34 HA VAL 34 2.472 2.638 5.136
258 HB VAL 34 HB VAL 34 2.219 0.408 6.306
259 1HG1 VAL 34 HG11 VAL 34 1.571 1.404 8.511
260 2HG1 VAL 34 HG13 VAL 34 0.024 1.870 7.805
261 3HG1 VAL 34 HG12 VAL 34 0.444 0.164 7.958
262 1HG2 VAL 34 HG21 VAL 34 0.733 1.377 4.370
263 2HG2 VAL 34 HG23 VAL 34 0.211 -0.089 5.201
264 3HG2 VAL 34 HG22 VAL 34 -0.514 1.464 5.615
265 H ASP 35 HN ASP 35 -0.038 3.248 4.998
266 HA ASP 35 HA ASP 35 -0.907 5.085 7.143
267 1HB ASP 35 HB2 ASP 35 0.797 6.251 5.641
268 2HB ASP 35 HB1 ASP 35 -0.393 6.122 4.348
269 H VAL 36 HN VAL 36 -3.125 5.774 6.826
270 HA VAL 36 HA VAL 36 -4.613 4.036 4.899
271 HB VAL 36 HB VAL 36 -5.682 5.484 7.330
272 1HG1 VAL 36 HG11 VAL 36 -6.948 4.061 5.375
273 2HG1 VAL 36 HG13 VAL 36 -6.602 2.791 6.547
274 3HG1 VAL 36 HG12 VAL 36 -7.542 4.203 7.030
275 1HG2 VAL 36 HG22 VAL 36 -4.303 2.784 7.187
276 2HG2 VAL 36 HG21 VAL 36 -3.772 4.188 8.112
277 3HG2 VAL 36 HG23 VAL 36 -5.251 3.341 8.566
278 H GLY 37 HN GLY 37 -5.113 5.203 3.083
279 1HA GLY 37 HA2 GLY 37 -6.073 8.013 3.457
280 2HA GLY 37 HA1 GLY 37 -5.211 7.471 2.016
281 H PHE 38 HN PHE 38 -7.962 6.125 3.874
282 HA PHE 38 HA PHE 38 -9.297 5.073 1.586
283 1HB PHE 38 HB2 PHE 38 -9.551 4.615 4.117
284 2HB PHE 38 HB1 PHE 38 -10.612 6.020 4.136
285 HD1 PHE 38 HD2 PHE 38 -10.430 3.802 1.174
286 HD2 PHE 38 HD1 PHE 38 -12.563 4.721 4.790
287 HE1 PHE 38 HE2 PHE 38 -12.310 2.384 0.422
288 HE2 PHE 38 HE1 PHE 38 -14.442 3.294 4.036
289 HZ PHE 38 HZ PHE 38 -14.323 2.124 1.858
290 H GLU 39 HN GLU 39 -9.099 8.304 2.831
291 HA GLU 39 HA GLU 39 -11.501 9.511 2.061
292 1HB GLU 39 HB2 GLU 39 -9.366 10.482 3.120
293 2HB GLU 39 HB1 GLU 39 -8.750 10.639 1.474
294 1HG GLU 39 HG2 GLU 39 -11.208 11.759 1.176
295 2HG GLU 39 HG1 GLU 39 -10.867 12.189 2.853
296 H LYS 40 HN LYS 40 -8.946 8.204 0.059
297 HA LYS 40 HA LYS 40 -10.603 8.753 -2.358
298 1HB LYS 40 HB2 LYS 40 -7.929 9.757 -1.627
299 2HB LYS 40 HB1 LYS 40 -8.015 9.054 -3.243
300 1HG LYS 40 HG2 LYS 40 -10.338 10.707 -2.731
301 2HG LYS 40 HG1 LYS 40 -8.854 11.627 -2.480
302 1HD LYS 40 HD2 LYS 40 -8.220 11.474 -4.680
303 2HD LYS 40 HD1 LYS 40 -8.948 9.881 -4.888
304 1HE LYS 40 HE2 LYS 40 -10.422 11.212 -6.134
305 2HE LYS 40 HE1 LYS 40 -11.213 11.243 -4.545
306 1HZ LYS 40 HZ3 LYS 40 -9.087 13.179 -5.204
307 2HZ LYS 40 HZ2 LYS 40 -10.690 13.475 -5.684
308 3HZ LYS 40 HZ1 LYS 40 -10.312 13.300 -4.037
309 H ARG 41 HN ARG 41 -10.413 6.306 -0.931
310 HA ARG 41 HA ARG 41 -9.745 4.041 -1.169
311 1HB ARG 41 HB2 ARG 41 -10.152 5.143 -3.958
312 2HB ARG 41 HB1 ARG 41 -9.938 3.420 -3.642
313 1HG ARG 41 HG2 ARG 41 -11.854 4.377 -1.778
314 2HG ARG 41 HG1 ARG 41 -12.316 5.000 -3.362
315 1HD ARG 41 HD2 ARG 41 -11.515 2.306 -3.766
316 2HD ARG 41 HD1 ARG 41 -12.594 2.317 -2.359
317 HE ARG 41 HE ARG 41 -13.799 4.040 -4.200
318 1HH1 ARG 41 HH21 ARG 41 -12.721 0.759 -4.132
319 2HH1 ARG 41 HH22 ARG 41 -13.916 0.208 -5.258
320 1HH2 ARG 41 HH11 ARG 41 -15.358 3.333 -5.673
321 2HH2 ARG 41 HH12 ARG 41 -15.409 1.662 -6.127
322 H GLU 42 HN GLU 42 -7.475 5.213 -0.464
323 HA GLU 42 HA GLU 42 -5.469 4.009 -2.291
324 1HB GLU 42 HB2 GLU 42 -5.353 6.142 -3.188
325 2HB GLU 42 HB1 GLU 42 -5.900 6.906 -1.698
326 1HG GLU 42 HG2 GLU 42 -3.242 5.546 -1.637
327 2HG GLU 42 HG1 GLU 42 -3.353 7.071 -2.516
328 H ALA 43 HN ALA 43 -3.477 3.492 -1.224
329 HA ALA 43 HA ALA 43 -3.495 3.877 1.762
330 1HB ALA 43 HB1 ALA 43 -2.616 1.526 0.039
331 2HB ALA 43 HB3 ALA 43 -2.326 1.630 1.776
332 3HB ALA 43 HB2 ALA 43 -3.977 1.554 1.160
333 H VAL 44 HN VAL 44 -1.573 4.831 2.532
334 HA VAL 44 HA VAL 44 0.542 5.295 0.459
335 HB VAL 44 HB VAL 44 -0.713 6.795 2.664
336 1HG1 VAL 44 HG11 VAL 44 2.273 6.657 2.376
337 2HG1 VAL 44 HG13 VAL 44 1.530 8.213 2.748
338 3HG1 VAL 44 HG12 VAL 44 1.306 6.846 3.837
339 1HG2 VAL 44 HG22 VAL 44 -0.314 7.111 -0.032
340 2HG2 VAL 44 HG21 VAL 44 -0.797 8.397 1.072
341 3HG2 VAL 44 HG23 VAL 44 0.902 8.189 0.651
342 H VAL 45 HN VAL 45 2.678 4.664 0.888
343 HA VAL 45 HA VAL 45 3.212 3.460 3.567
344 HB VAL 45 HB VAL 45 2.185 1.896 1.785
345 1HG1 VAL 45 HG11 VAL 45 3.730 2.686 -0.029
346 2HG1 VAL 45 HG13 VAL 45 5.057 1.906 0.833
347 3HG1 VAL 45 HG12 VAL 45 3.729 0.936 0.194
348 1HG2 VAL 45 HG23 VAL 45 4.606 1.417 3.488
349 2HG2 VAL 45 HG22 VAL 45 2.964 0.805 3.692
350 3HG2 VAL 45 HG21 VAL 45 4.019 0.112 2.459
351 H THR 46 HN THR 46 5.307 3.405 4.175
352 HA THR 46 HA THR 46 7.383 4.614 2.389
353 HB THR 46 HB THR 46 6.771 4.600 5.342
354 HG1 THR 46 HG1 THR 46 6.331 6.563 4.806
355 1HG2 THR 46 HG21 THR 46 9.473 4.776 4.054
356 2HG2 THR 46 HG23 THR 46 9.136 5.748 5.486
357 3HG2 THR 46 HG22 THR 46 9.004 3.991 5.562
358 H PHE 47 HN PHE 47 9.489 3.455 2.414
359 HA PHE 47 HA PHE 47 9.712 0.975 3.929
360 1HB PHE 47 HB2 PHE 47 9.495 -0.519 1.995
361 2HB PHE 47 HB1 PHE 47 8.019 0.421 2.207
362 HD1 PHE 47 HD2 PHE 47 11.222 0.265 0.255
363 HD2 PHE 47 HD1 PHE 47 7.245 1.891 0.537
364 HE1 PHE 47 HE2 PHE 47 11.425 1.160 -2.037
365 HE2 PHE 47 HE1 PHE 47 7.452 2.781 -1.765
366 HZ PHE 47 HZ PHE 47 9.531 2.417 -3.053
367 H ASP 48 HN ASP 48 11.507 -0.427 2.810
368 HA ASP 48 HA ASP 48 13.719 1.445 2.113
369 1HB ASP 48 HB2 ASP 48 13.663 -1.367 3.266
370 2HB ASP 48 HB1 ASP 48 15.137 -0.457 2.935
371 H ASP 49 HN ASP 49 14.001 1.478 -0.074
372 HA ASP 49 HA ASP 49 12.893 -0.356 -1.913
373 1HB ASP 49 HB2 ASP 49 13.649 1.877 -2.493
374 2HB ASP 49 HB1 ASP 49 15.312 1.464 -2.071
375 H THR 50 HN THR 50 15.586 -0.783 0.151
376 HA THR 50 HA THR 50 17.281 -2.470 -1.401
377 HB THR 50 HB THR 50 17.852 -3.319 0.979
378 HG1 THR 50 HG1 THR 50 16.092 -2.913 2.142
379 1HG2 THR 50 HG22 THR 50 18.360 -0.880 -0.382
380 2HG2 THR 50 HG21 THR 50 18.134 -0.485 1.322
381 3HG2 THR 50 HG23 THR 50 19.359 -1.661 0.844
382 H LYS 51 HN LYS 51 14.277 -3.156 0.359
383 HA LYS 51 HA LYS 51 14.402 -5.945 -0.730
384 1HB LYS 51 HB2 LYS 51 14.296 -4.937 2.010
385 2HB LYS 51 HB1 LYS 51 12.997 -6.081 1.667
386 1HG LYS 51 HG2 LYS 51 15.826 -6.691 0.835
387 2HG LYS 51 HG1 LYS 51 15.287 -7.020 2.481
388 1HD LYS 51 HD2 LYS 51 13.223 -8.096 1.091
389 2HD LYS 51 HD1 LYS 51 14.537 -8.361 -0.056
390 1HE LYS 51 HE2 LYS 51 15.850 -9.526 1.650
391 2HE LYS 51 HE1 LYS 51 14.604 -9.189 2.869
392 1HZ LYS 51 HZ2 LYS 51 12.998 -10.276 1.289
393 2HZ LYS 51 HZ1 LYS 51 14.344 -10.832 0.414
394 3HZ LYS 51 HZ3 LYS 51 14.116 -11.325 2.020
395 H ALA 52 HN ALA 52 12.669 -3.069 -0.632
396 HA ALA 52 HA ALA 52 10.223 -4.486 -1.585
397 1HB ALA 52 HB1 ALA 52 10.590 -3.133 0.930
398 2HB ALA 52 HB3 ALA 52 9.394 -2.263 -0.029
399 3HB ALA 52 HB2 ALA 52 9.159 -3.972 0.333
400 H SER 53 HN SER 53 8.588 -2.530 -2.224
401 HA SER 53 HA SER 53 9.563 -0.039 -3.151
402 1HB SER 53 HB2 SER 53 10.907 -0.657 -4.865
403 2HB SER 53 HB1 SER 53 10.544 -2.351 -4.555
404 HG SER 53 HG SER 53 9.888 -1.767 -6.641
405 H VAL 54 HN VAL 54 8.070 0.850 -4.930
406 HA VAL 54 HA VAL 54 5.393 0.767 -4.376
407 HB VAL 54 HB VAL 54 6.901 1.015 -6.979
408 1HG1 VAL 54 HG12 VAL 54 3.924 1.138 -6.496
409 2HG1 VAL 54 HG11 VAL 54 4.675 2.062 -7.797
410 3HG1 VAL 54 HG13 VAL 54 4.793 0.302 -7.782
411 1HG2 VAL 54 HG22 VAL 54 7.112 2.772 -5.220
412 2HG2 VAL 54 HG21 VAL 54 6.351 3.383 -6.689
413 3HG2 VAL 54 HG23 VAL 54 5.365 3.004 -5.277
414 H GLN 55 HN GLN 55 6.852 -1.335 -6.905
415 HA GLN 55 HA GLN 55 4.661 -2.856 -7.640
416 1HB GLN 55 HB2 GLN 55 7.237 -2.931 -8.208
417 2HB GLN 55 HB1 GLN 55 7.263 -4.212 -6.995
418 1HG GLN 55 HG2 GLN 55 6.801 -5.466 -8.887
419 2HG GLN 55 HG1 GLN 55 5.160 -5.082 -8.366
420 1HE2 GLN 55 HE22 GLN 55 4.481 -2.982 -11.141
421 2HE2 GLN 55 HE21 GLN 55 3.937 -3.540 -9.633
422 H LYS 56 HN LYS 56 6.739 -3.469 -4.785
423 HA LYS 56 HA LYS 56 5.165 -5.721 -3.868
424 1HB LYS 56 HB2 LYS 56 7.644 -4.575 -3.365
425 2HB LYS 56 HB1 LYS 56 6.754 -4.291 -1.868
426 1HG LYS 56 HG2 LYS 56 7.888 -6.463 -1.763
427 2HG LYS 56 HG1 LYS 56 6.140 -6.697 -1.800
428 1HD LYS 56 HD2 LYS 56 6.489 -8.081 -3.550
429 2HD LYS 56 HD1 LYS 56 6.852 -6.633 -4.490
430 1HE LYS 56 HE2 LYS 56 9.252 -6.822 -3.761
431 2HE LYS 56 HE1 LYS 56 8.846 -8.372 -2.997
432 1HZ LYS 56 HZ2 LYS 56 8.344 -7.684 -5.846
433 2HZ LYS 56 HZ1 LYS 56 9.613 -8.670 -5.292
434 3HZ LYS 56 HZ3 LYS 56 8.004 -9.173 -5.101
435 H LEU 57 HN LEU 57 5.003 -2.233 -3.268
436 HA LEU 57 HA LEU 57 3.348 -2.402 -0.904
437 1HB LEU 57 HB2 LEU 57 3.529 -0.246 -3.037
438 2HB LEU 57 HB1 LEU 57 2.985 -0.025 -1.376
439 HG LEU 57 HG LEU 57 5.769 -0.874 -2.220
440 1HD1 LEU 57 HD11 LEU 57 4.454 1.713 -1.721
441 2HD1 LEU 57 HD13 LEU 57 5.969 1.489 -0.847
442 3HD1 LEU 57 HD12 LEU 57 5.937 1.356 -2.606
443 1HD2 LEU 57 HD21 LEU 57 4.342 -1.049 0.305
444 2HD2 LEU 57 HD23 LEU 57 5.961 -1.622 -0.093
445 3HD2 LEU 57 HD22 LEU 57 5.723 0.039 0.449
446 H THR 58 HN THR 58 2.493 -1.478 -4.259
447 HA THR 58 HA THR 58 -0.327 -1.753 -3.943
448 HB THR 58 HB THR 58 0.845 -0.575 -5.793
449 HG1 THR 58 HG1 THR 58 -0.352 -1.910 -7.522
450 1HG2 THR 58 HG23 THR 58 1.882 -3.338 -6.249
451 2HG2 THR 58 HG22 THR 58 1.589 -2.326 -7.663
452 3HG2 THR 58 HG21 THR 58 2.708 -1.789 -6.411
453 H LYS 59 HN LYS 59 2.234 -4.089 -4.369
454 HA LYS 59 HA LYS 59 0.531 -6.247 -5.276
455 1HB LYS 59 HB2 LYS 59 2.809 -6.345 -5.904
456 2HB LYS 59 HB1 LYS 59 3.355 -5.919 -4.283
457 1HG LYS 59 HG2 LYS 59 3.435 -8.085 -3.681
458 2HG LYS 59 HG1 LYS 59 1.762 -8.328 -4.187
459 1HD LYS 59 HD2 LYS 59 2.827 -8.283 -6.611
460 2HD LYS 59 HD1 LYS 59 4.291 -8.743 -5.740
461 1HE LYS 59 HE2 LYS 59 3.448 -10.812 -5.141
462 2HE LYS 59 HE1 LYS 59 1.773 -10.227 -5.085
463 1HZ LYS 59 HZ1 LYS 59 3.156 -10.086 -7.652
464 2HZ LYS 59 HZ3 LYS 59 2.694 -11.630 -7.122
465 3HZ LYS 59 HZ2 LYS 59 1.522 -10.414 -7.318
466 H ALA 60 HN ALA 60 1.635 -4.969 -2.203
467 HA ALA 60 HA ALA 60 0.918 -7.245 -0.600
468 1HB ALA 60 HB3 ALA 60 2.536 -5.404 -0.028
469 2HB ALA 60 HB2 ALA 60 1.158 -4.316 0.132
470 3HB ALA 60 HB1 ALA 60 1.330 -5.687 1.227
471 H THR 61 HN THR 61 -0.650 -4.145 -1.387
472 HA THR 61 HA THR 61 -3.091 -4.716 0.067
473 HB THR 61 HB THR 61 -2.247 -2.448 -0.553
474 HG1 THR 61 HG1 THR 61 -4.267 -1.718 -1.447
475 1HG2 THR 61 HG21 THR 61 -2.862 -3.404 -3.359
476 2HG2 THR 61 HG23 THR 61 -2.495 -1.734 -2.929
477 3HG2 THR 61 HG22 THR 61 -1.274 -2.987 -2.716
478 H ALA 62 HN ALA 62 -1.818 -5.213 -3.102
479 HA ALA 62 HA ALA 62 -4.216 -6.041 -4.455
480 1HB ALA 62 HB3 ALA 62 -1.247 -6.439 -4.802
481 2HB ALA 62 HB2 ALA 62 -2.383 -7.235 -5.890
482 3HB ALA 62 HB1 ALA 62 -2.344 -5.474 -5.788
483 H ASP 63 HN ASP 63 -1.871 -7.643 -2.381
484 HA ASP 63 HA ASP 63 -3.063 -10.309 -2.829
485 1HB ASP 63 HB2 ASP 63 -0.655 -10.116 -2.590
486 2HB ASP 63 HB1 ASP 63 -0.833 -9.213 -1.085
487 H ALA 64 HN ALA 64 -3.572 -7.582 -0.851
488 HA ALA 64 HA ALA 64 -4.565 -8.973 1.521
489 1HB ALA 64 HB3 ALA 64 -3.826 -6.365 0.728
490 2HB ALA 64 HB2 ALA 64 -5.552 -6.272 1.081
491 3HB ALA 64 HB1 ALA 64 -4.430 -6.847 2.313
492 H GLY 65 HN GLY 65 -5.762 -7.871 -1.564
493 1HA GLY 65 HA2 GLY 65 -7.838 -9.332 -2.155
494 2HA GLY 65 HA1 GLY 65 -8.543 -8.555 -0.744
495 H TYR 66 HN TYR 66 -6.436 -6.569 -2.702
496 HA TYR 66 HA TYR 66 -8.812 -5.440 -4.119
497 1HB TYR 66 HB2 TYR 66 -6.792 -3.835 -2.545
498 2HB TYR 66 HB1 TYR 66 -8.286 -3.250 -3.270
499 HD1 TYR 66 HD1 TYR 66 -10.410 -4.759 -2.544
500 HD2 TYR 66 HD2 TYR 66 -6.807 -4.153 -0.311
501 HE1 TYR 66 HE1 TYR 66 -11.632 -5.253 -0.459
502 HE2 TYR 66 HE2 TYR 66 -8.018 -4.621 1.781
503 HH TYR 66 HH TYR 66 -10.749 -6.198 2.012
504 HA PRO 67 HA PRO 67 -5.526 -5.554 -7.268
505 1HB PRO 67 HB2 PRO 67 -7.444 -4.384 -9.070
506 2HB PRO 67 HB1 PRO 67 -6.875 -6.056 -9.042
507 1HG PRO 67 HG2 PRO 67 -9.454 -5.042 -8.246
508 2HG PRO 67 HG1 PRO 67 -8.903 -6.720 -8.280
509 1HD PRO 67 HD2 PRO 67 -9.390 -5.095 -5.966
510 2HD PRO 67 HD1 PRO 67 -8.732 -6.750 -6.004
511 H SER 68 HN SER 68 -4.314 -3.803 -6.338
512 HA SER 68 HA SER 68 -5.447 -1.066 -6.695
513 1HB SER 68 HB2 SER 68 -4.851 -1.101 -4.510
514 2HB SER 68 HB1 SER 68 -3.843 -2.527 -4.729
515 HG SER 68 HG SER 68 -3.120 0.042 -4.519
516 H SER 69 HN SER 69 -3.335 0.536 -6.683
517 HA SER 69 HA SER 69 -1.318 -0.299 -8.680
518 1HB SER 69 HB2 SER 69 -3.720 1.239 -9.197
519 2HB SER 69 HB1 SER 69 -2.294 2.234 -9.483
520 HG SER 69 HG SER 69 -2.331 -0.401 -10.433
521 H VAL 70 HN VAL 70 -0.387 2.358 -9.089
522 HA VAL 70 HA VAL 70 0.165 3.305 -6.325
523 HB VAL 70 HB VAL 70 1.735 1.584 -7.398
524 1HG1 VAL 70 HG11 VAL 70 1.697 3.058 -9.575
525 2HG1 VAL 70 HG13 VAL 70 2.960 3.975 -8.753
526 3HG1 VAL 70 HG12 VAL 70 3.196 2.262 -9.096
527 1HG2 VAL 70 HG22 VAL 70 2.350 4.089 -5.954
528 2HG2 VAL 70 HG21 VAL 70 2.778 2.428 -5.550
529 3HG2 VAL 70 HG23 VAL 70 3.745 3.326 -6.717
530 H LYS 71 HN LYS 71 1.019 5.515 -6.233
531 HA LYS 71 HA LYS 71 0.401 7.061 -8.737
532 1HB LYS 71 HB2 LYS 71 0.198 8.366 -6.069
533 2HB LYS 71 HB1 LYS 71 -0.814 8.579 -7.491
534 1HG LYS 71 HG2 LYS 71 -1.294 5.942 -6.764
535 2HG LYS 71 HG1 LYS 71 -1.169 6.782 -5.217
536 1HD LYS 71 HD2 LYS 71 -2.766 8.007 -7.431
537 2HD LYS 71 HD1 LYS 71 -3.467 6.691 -6.489
538 1HE LYS 71 HE2 LYS 71 -2.889 8.002 -4.392
539 2HE LYS 71 HE1 LYS 71 -2.472 9.365 -5.451
540 1HZ LYS 71 HZ3 LYS 71 -4.685 9.107 -6.493
541 2HZ LYS 71 HZ2 LYS 71 -5.079 7.943 -5.320
542 3HZ LYS 71 HZ1 LYS 71 -4.773 9.549 -4.858
543 H GLN 72 HN GLN 72 2.868 5.940 -7.558
544 HA GLN 72 HA GLN 72 4.690 7.656 -6.403
545 1HB GLN 72 HB2 GLN 72 6.377 6.520 -7.787
546 2HB GLN 72 HB1 GLN 72 5.132 5.372 -7.293
547 1HG GLN 72 HG2 GLN 72 5.144 4.876 -9.534
548 2HG GLN 72 HG1 GLN 72 4.026 6.239 -9.593
549 1HE2 GLN 72 HE22 GLN 72 7.700 6.572 -11.292
550 2HE2 GLN 72 HE21 GLN 72 7.225 5.150 -10.497
No H/Q in entry = 550
Start of MODEL 12
1 1H ALA 1 HT3 ALA 1 17.594 4.317 0.086
2 2H ALA 1 HT2 ALA 1 18.405 3.678 -1.264
3 3H ALA 1 HT1 ALA 1 17.298 4.952 -1.458
4 HA ALA 1 HA ALA 1 15.963 3.218 -2.094
5 1HB ALA 1 HB1 ALA 1 17.958 1.806 -0.395
6 2HB ALA 1 HB3 ALA 1 16.386 1.026 -0.573
7 3HB ALA 1 HB2 ALA 1 17.356 1.391 -2.000
8 H THR 2 HN THR 2 14.732 4.972 -0.778
9 HA THR 2 HA THR 2 13.123 3.667 1.274
10 HB THR 2 HB THR 2 13.609 6.131 2.367
11 HG1 THR 2 HG1 THR 2 16.124 5.112 1.612
12 1HG2 THR 2 HG21 THR 2 13.525 3.931 3.520
13 2HG2 THR 2 HG23 THR 2 15.153 3.593 2.933
14 3HG2 THR 2 HG22 THR 2 14.881 4.920 4.062
15 H GLN 3 HN GLN 3 11.478 3.912 -0.345
16 HA GLN 3 HA GLN 3 10.900 6.730 -1.192
17 1HB GLN 3 HB2 GLN 3 10.723 4.042 -2.374
18 2HB GLN 3 HB1 GLN 3 9.343 5.080 -2.734
19 1HG GLN 3 HG2 GLN 3 11.486 6.794 -3.059
20 2HG GLN 3 HG1 GLN 3 12.114 5.268 -3.680
21 1HE2 GLN 3 HE22 GLN 3 10.238 5.465 -6.645
22 2HE2 GLN 3 HE21 GLN 3 11.517 4.744 -5.793
23 H THR 4 HN THR 4 8.836 7.598 -1.057
24 HA THR 4 HA THR 4 6.863 6.148 0.677
25 HB THR 4 HB THR 4 7.335 9.137 0.413
26 HG1 THR 4 HG1 THR 4 8.468 7.172 2.054
27 1HG2 THR 4 HG22 THR 4 5.641 7.380 2.173
28 2HG2 THR 4 HG21 THR 4 6.166 8.966 2.737
29 3HG2 THR 4 HG23 THR 4 5.178 8.830 1.283
30 H VAL 5 HN VAL 5 4.887 5.846 -0.312
31 HA VAL 5 HA VAL 5 3.987 7.705 -2.484
32 HB VAL 5 HB VAL 5 3.986 4.749 -2.998
33 1HG1 VAL 5 HG12 VAL 5 3.094 6.936 -4.378
34 2HG1 VAL 5 HG11 VAL 5 4.697 6.713 -5.078
35 3HG1 VAL 5 HG13 VAL 5 3.526 5.399 -5.126
36 1HG2 VAL 5 HG23 VAL 5 6.369 6.576 -3.483
37 2HG2 VAL 5 HG22 VAL 5 6.321 5.245 -2.326
38 3HG2 VAL 5 HG21 VAL 5 6.218 4.914 -4.055
39 H THR 6 HN THR 6 1.707 7.164 -3.092
40 HA THR 6 HA THR 6 0.287 5.898 -0.790
41 HB THR 6 HB THR 6 -0.644 8.026 -0.954
42 HG1 THR 6 HG1 THR 6 -2.555 7.338 -1.363
43 1HG2 THR 6 HG23 THR 6 0.120 7.778 -3.836
44 2HG2 THR 6 HG22 THR 6 -1.125 8.939 -3.378
45 3HG2 THR 6 HG21 THR 6 0.495 9.066 -2.692
46 H LEU 7 HN LEU 7 -1.799 4.787 -1.613
47 HA LEU 7 HA LEU 7 -1.209 3.480 -4.238
48 1HB LEU 7 HB2 LEU 7 -1.124 2.426 -1.535
49 2HB LEU 7 HB1 LEU 7 -2.283 1.530 -2.519
50 HG LEU 7 HG LEU 7 -0.637 1.010 -4.156
51 1HD1 LEU 7 HD12 LEU 7 0.970 3.129 -2.779
52 2HD1 LEU 7 HD11 LEU 7 1.760 1.895 -3.758
53 3HD1 LEU 7 HD13 LEU 7 0.580 2.974 -4.486
54 1HD2 LEU 7 HD21 LEU 7 -0.424 -0.017 -1.700
55 2HD2 LEU 7 HD23 LEU 7 0.744 -0.413 -2.959
56 3HD2 LEU 7 HD22 LEU 7 1.130 0.817 -1.758
57 H ALA 8 HN ALA 8 -3.060 2.616 -5.297
58 HA ALA 8 HA ALA 8 -5.626 3.872 -4.393
59 1HB ALA 8 HB2 ALA 8 -4.176 3.888 -6.798
60 2HB ALA 8 HB1 ALA 8 -5.551 2.827 -7.107
61 3HB ALA 8 HB3 ALA 8 -5.819 4.483 -6.563
62 H VAL 9 HN VAL 9 -6.378 2.179 -3.035
63 HA VAL 9 HA VAL 9 -6.822 -0.487 -4.332
64 HB VAL 9 HB VAL 9 -5.523 -0.616 -2.307
65 1HG1 VAL 9 HG11 VAL 9 -7.342 1.562 -1.495
66 2HG1 VAL 9 HG13 VAL 9 -7.001 0.392 -0.221
67 3HG1 VAL 9 HG12 VAL 9 -5.675 1.250 -1.007
68 1HG2 VAL 9 HG22 VAL 9 -8.267 -1.593 -2.370
69 2HG2 VAL 9 HG21 VAL 9 -6.805 -2.403 -1.809
70 3HG2 VAL 9 HG23 VAL 9 -7.702 -1.351 -0.717
71 HA PRO 10 HA PRO 10 -11.044 1.250 -4.209
72 1HB PRO 10 HB2 PRO 10 -11.833 -0.434 -6.314
73 2HB PRO 10 HB1 PRO 10 -11.266 1.231 -6.475
74 1HG PRO 10 HG2 PRO 10 -9.924 -1.222 -7.267
75 2HG PRO 10 HG1 PRO 10 -9.456 0.450 -7.597
76 1HD PRO 10 HD2 PRO 10 -8.288 -1.383 -5.679
77 2HD PRO 10 HD1 PRO 10 -7.785 0.284 -6.054
78 H GLY 11 HN GLY 11 -10.213 -0.816 -2.341
79 1HA GLY 11 HA2 GLY 11 -12.028 -3.094 -2.716
80 2HA GLY 11 HA1 GLY 11 -10.929 -2.847 -1.360
81 H MET 12 HN MET 12 -11.735 -0.264 -0.586
82 HA MET 12 HA MET 12 -13.325 0.788 0.784
83 1HB MET 12 HB2 MET 12 -15.005 -0.726 -1.233
84 2HB MET 12 HB1 MET 12 -15.738 0.294 0.003
85 1HG MET 12 HG2 MET 12 -14.759 2.254 -0.856
86 2HG MET 12 HG1 MET 12 -13.540 1.356 -1.759
87 1HE MET 12 HE3 MET 12 -16.650 2.834 -1.292
88 2HE MET 12 HE2 MET 12 -16.535 3.585 -2.881
89 3HE MET 12 HE1 MET 12 -17.791 2.389 -2.569
90 H THR 13 HN THR 13 -15.376 -2.021 0.267
91 HA THR 13 HA THR 13 -16.278 -3.525 1.841
92 HB THR 13 HB THR 13 -14.281 -4.436 3.327
93 HG1 THR 13 HG1 THR 13 -12.714 -3.437 1.271
94 1HG2 THR 13 HG21 THR 13 -14.579 -4.657 0.334
95 2HG2 THR 13 HG23 THR 13 -13.430 -5.643 1.237
96 3HG2 THR 13 HG22 THR 13 -15.157 -5.772 1.572
97 H CYS 14 HN CYS 14 -15.765 -0.507 2.613
98 HA CYS 14 HA CYS 14 -16.055 0.842 4.529
99 1HB CYS 14 HB2 CYS 14 -18.065 -0.956 4.084
100 2HB CYS 14 HB1 CYS 14 -17.678 -1.274 5.774
101 HG CYS 14 HG CYS 14 -18.082 1.311 6.247
102 H ALA 15 HN ALA 15 -14.175 0.984 5.759
103 HA ALA 15 HA ALA 15 -12.698 0.551 7.553
104 1HB ALA 15 HB2 ALA 15 -15.424 -0.091 8.271
105 2HB ALA 15 HB1 ALA 15 -14.308 -1.138 9.148
106 3HB ALA 15 HB3 ALA 15 -14.155 0.614 9.273
107 H ALA 16 HN ALA 16 -12.727 -1.365 5.263
108 HA ALA 16 HA ALA 16 -11.486 -3.679 6.699
109 1HB ALA 16 HB1 ALA 16 -13.866 -3.578 5.004
110 2HB ALA 16 HB3 ALA 16 -12.666 -4.715 4.388
111 3HB ALA 16 HB2 ALA 16 -13.285 -4.890 6.030
112 H CYS 17 HN CYS 17 -11.991 -2.094 3.540
113 HA CYS 17 HA CYS 17 -9.835 -3.207 2.112
114 1HB CYS 17 HB2 CYS 17 -11.306 -1.944 0.860
115 2HB CYS 17 HB1 CYS 17 -11.442 -0.688 2.079
116 HG CYS 17 HG CYS 17 -9.483 0.514 1.083
117 HA PRO 18 HA PRO 18 -7.025 0.343 3.787
118 1HB PRO 18 HB2 PRO 18 -7.977 1.492 6.155
119 2HB PRO 18 HB1 PRO 18 -8.102 2.193 4.538
120 1HG PRO 18 HG2 PRO 18 -10.204 1.026 6.209
121 2HG PRO 18 HG1 PRO 18 -10.357 2.031 4.766
122 1HD PRO 18 HD2 PRO 18 -10.791 -0.786 4.965
123 2HD PRO 18 HD1 PRO 18 -10.805 0.202 3.486
124 H ILE 19 HN ILE 19 -8.534 -2.067 5.770
125 HA ILE 19 HA ILE 19 -6.380 -1.983 7.814
126 HB ILE 19 HB ILE 19 -8.993 -3.425 7.395
127 1HG1 ILE 19 HG12 ILE 19 -8.383 -2.406 10.043
128 2HG1 ILE 19 HG11 ILE 19 -8.125 -1.161 8.822
129 1HG2 ILE 19 HG23 ILE 19 -7.310 -5.128 8.125
130 2HG2 ILE 19 HG22 ILE 19 -6.947 -4.121 9.526
131 3HG2 ILE 19 HG21 ILE 19 -8.551 -4.830 9.342
132 1HD1 ILE 19 HD13 ILE 19 -10.472 -2.205 7.945
133 2HD1 ILE 19 HD12 ILE 19 -10.642 -2.471 9.680
134 3HD1 ILE 19 HD11 ILE 19 -10.374 -0.842 9.060
135 H THR 20 HN THR 20 -7.620 -4.027 5.230
136 HA THR 20 HA THR 20 -5.676 -6.145 5.564
137 HB THR 20 HB THR 20 -7.781 -5.251 3.619
138 HG1 THR 20 HG1 THR 20 -7.278 -7.479 5.273
139 1HG2 THR 20 HG23 THR 20 -5.835 -7.516 3.152
140 2HG2 THR 20 HG22 THR 20 -7.268 -7.173 2.180
141 3HG2 THR 20 HG21 THR 20 -5.932 -6.022 2.221
142 H VAL 21 HN VAL 21 -6.038 -3.295 3.441
143 HA VAL 21 HA VAL 21 -3.725 -3.826 1.845
144 HB VAL 21 HB VAL 21 -5.359 -1.382 2.555
145 1HG1 VAL 21 HG12 VAL 21 -2.973 -1.612 0.703
146 2HG1 VAL 21 HG11 VAL 21 -4.151 -0.304 0.598
147 3HG1 VAL 21 HG13 VAL 21 -3.180 -0.500 2.056
148 1HG2 VAL 21 HG22 VAL 21 -5.263 -3.400 0.359
149 2HG2 VAL 21 HG21 VAL 21 -6.655 -2.607 1.094
150 3HG2 VAL 21 HG23 VAL 21 -5.671 -1.743 -0.086
151 H LYS 22 HN LYS 22 -4.283 -1.737 4.676
152 HA LYS 22 HA LYS 22 -1.745 -0.645 5.052
153 1HB LYS 22 HB2 LYS 22 -3.504 -0.001 6.492
154 2HB LYS 22 HB1 LYS 22 -3.893 -1.670 6.906
155 1HG LYS 22 HG2 LYS 22 -2.348 -1.738 8.564
156 2HG LYS 22 HG1 LYS 22 -1.136 -0.910 7.585
157 1HD LYS 22 HD2 LYS 22 -3.011 1.072 8.049
158 2HD LYS 22 HD1 LYS 22 -2.987 0.187 9.575
159 1HE LYS 22 HE2 LYS 22 -0.324 0.326 9.126
160 2HE LYS 22 HE1 LYS 22 -0.840 1.812 8.304
161 1HZ LYS 22 HZ2 LYS 22 -2.372 1.816 10.519
162 2HZ LYS 22 HZ1 LYS 22 -0.929 1.146 11.116
163 3HZ LYS 22 HZ3 LYS 22 -0.909 2.667 10.364
164 H LYS 23 HN LYS 23 -2.886 -3.860 6.159
165 HA LYS 23 HA LYS 23 -0.324 -4.583 7.304
166 1HB LYS 23 HB2 LYS 23 -2.810 -6.115 6.520
167 2HB LYS 23 HB1 LYS 23 -1.468 -6.835 7.409
168 1HG LYS 23 HG2 LYS 23 -1.764 -5.260 9.238
169 2HG LYS 23 HG1 LYS 23 -2.994 -4.381 8.329
170 1HD LYS 23 HD2 LYS 23 -4.605 -5.818 8.976
171 2HD LYS 23 HD1 LYS 23 -3.639 -7.208 8.477
172 1HE LYS 23 HE2 LYS 23 -2.785 -7.542 10.595
173 2HE LYS 23 HE1 LYS 23 -2.807 -5.811 10.986
174 1HZ LYS 23 HZ3 LYS 23 -5.288 -7.375 10.559
175 2HZ LYS 23 HZ2 LYS 23 -4.577 -7.210 12.093
176 3HZ LYS 23 HZ1 LYS 23 -5.129 -5.838 11.258
177 H ALA 24 HN ALA 24 -1.669 -4.835 4.106
178 HA ALA 24 HA ALA 24 -0.043 -6.973 3.129
179 1HB ALA 24 HB2 ALA 24 -2.121 -5.297 2.258
180 2HB ALA 24 HB1 ALA 24 -0.785 -4.989 1.148
181 3HB ALA 24 HB3 ALA 24 -1.400 -6.629 1.355
182 H LEU 25 HN LEU 25 0.248 -3.429 2.821
183 HA LEU 25 HA LEU 25 2.801 -3.504 1.486
184 1HB LEU 25 HB2 LEU 25 1.333 -1.389 3.086
185 2HB LEU 25 HB1 LEU 25 2.691 -1.080 2.000
186 HG LEU 25 HG LEU 25 1.105 -2.539 0.369
187 1HD1 LEU 25 HD11 LEU 25 -0.607 -1.422 2.497
188 2HD1 LEU 25 HD13 LEU 25 -1.161 -1.158 0.844
189 3HD1 LEU 25 HD12 LEU 25 -0.879 -2.798 1.427
190 1HD2 LEU 25 HD21 LEU 25 1.721 0.266 0.828
191 2HD2 LEU 25 HD23 LEU 25 1.601 -0.621 -0.688
192 3HD2 LEU 25 HD22 LEU 25 0.152 0.058 0.051
193 H SER 26 HN SER 26 1.783 -3.269 4.862
194 HA SER 26 HA SER 26 4.390 -2.620 5.942
195 1HB SER 26 HB2 SER 26 2.813 -2.253 7.560
196 2HB SER 26 HB1 SER 26 1.691 -3.408 6.849
197 HG SER 26 HG SER 26 3.532 -3.723 8.856
198 H LYS 27 HN LYS 27 2.880 -5.537 4.756
199 HA LYS 27 HA LYS 27 5.131 -7.122 5.893
200 1HB LYS 27 HB2 LYS 27 3.614 -9.024 5.735
201 2HB LYS 27 HB1 LYS 27 2.776 -7.702 6.547
202 1HG LYS 27 HG2 LYS 27 1.196 -8.423 4.967
203 2HG LYS 27 HG1 LYS 27 1.967 -7.061 4.158
204 1HD LYS 27 HD2 LYS 27 2.730 -8.379 2.510
205 2HD LYS 27 HD1 LYS 27 3.450 -9.494 3.673
206 1HE LYS 27 HE2 LYS 27 1.421 -10.748 3.881
207 2HE LYS 27 HE1 LYS 27 0.484 -9.498 3.038
208 1HZ LYS 27 HZ2 LYS 27 2.839 -10.613 1.699
209 2HZ LYS 27 HZ1 LYS 27 1.434 -11.566 1.748
210 3HZ LYS 27 HZ3 LYS 27 1.391 -10.031 1.028
211 H VAL 28 HN VAL 28 4.357 -5.546 3.132
212 HA VAL 28 HA VAL 28 4.524 -7.374 1.000
213 HB VAL 28 HB VAL 28 4.074 -4.944 0.842
214 1HG1 VAL 28 HG11 VAL 28 5.996 -4.428 2.509
215 2HG1 VAL 28 HG13 VAL 28 7.039 -4.476 1.088
216 3HG1 VAL 28 HG12 VAL 28 5.726 -3.303 1.179
217 1HG2 VAL 28 HG22 VAL 28 6.351 -6.101 -0.769
218 2HG2 VAL 28 HG21 VAL 28 4.658 -5.928 -1.235
219 3HG2 VAL 28 HG23 VAL 28 5.691 -4.503 -1.118
220 H GLU 29 HN GLU 29 7.267 -5.772 2.692
221 HA GLU 29 HA GLU 29 8.982 -8.000 2.723
222 1HB GLU 29 HB2 GLU 29 8.604 -6.739 0.114
223 2HB GLU 29 HB1 GLU 29 10.303 -6.799 0.588
224 1HG GLU 29 HG2 GLU 29 8.905 -9.273 1.227
225 2HG GLU 29 HG1 GLU 29 8.834 -8.900 -0.495
226 H GLY 30 HN GLY 30 9.979 -4.946 1.232
227 1HA GLY 30 HA2 GLY 30 11.753 -4.464 3.547
228 2HA GLY 30 HA1 GLY 30 11.825 -3.625 1.999
229 H VAL 31 HN VAL 31 8.617 -3.750 2.998
230 HA VAL 31 HA VAL 31 8.257 -0.973 3.273
231 HB VAL 31 HB VAL 31 6.467 -2.684 3.049
232 1HG1 VAL 31 HG12 VAL 31 7.776 -3.924 5.145
233 2HG1 VAL 31 HG11 VAL 31 6.350 -3.245 5.930
234 3HG1 VAL 31 HG13 VAL 31 6.165 -4.346 4.565
235 1HG2 VAL 31 HG22 VAL 31 6.066 -0.355 3.982
236 2HG2 VAL 31 HG21 VAL 31 4.865 -1.555 4.459
237 3HG2 VAL 31 HG23 VAL 31 6.125 -1.071 5.593
238 H SER 32 HN SER 32 8.370 0.434 4.891
239 HA SER 32 HA SER 32 9.468 -0.497 7.513
240 1HB SER 32 HB2 SER 32 10.113 1.973 5.872
241 2HB SER 32 HB1 SER 32 10.762 1.645 7.477
242 HG SER 32 HG SER 32 12.130 0.316 6.603
243 H LYS 33 HN LYS 33 6.972 1.131 5.876
244 HA LYS 33 HA LYS 33 5.678 1.844 8.409
245 1HB LYS 33 HB2 LYS 33 7.051 3.719 8.502
246 2HB LYS 33 HB1 LYS 33 7.170 3.846 6.749
247 1HG LYS 33 HG2 LYS 33 5.280 5.112 6.584
248 2HG LYS 33 HG1 LYS 33 4.447 4.213 7.854
249 1HD LYS 33 HD2 LYS 33 5.074 5.689 9.447
250 2HD LYS 33 HD1 LYS 33 6.739 5.726 8.865
251 1HE LYS 33 HE2 LYS 33 6.380 7.593 7.590
252 2HE LYS 33 HE1 LYS 33 4.759 7.060 7.101
253 1HZ LYS 33 HZ2 LYS 33 5.288 7.757 9.913
254 2HZ LYS 33 HZ1 LYS 33 4.990 8.996 8.789
255 3HZ LYS 33 HZ3 LYS 33 3.821 7.797 9.056
256 H VAL 34 HN VAL 34 3.450 1.998 8.075
257 HA VAL 34 HA VAL 34 2.500 2.295 5.240
258 HB VAL 34 HB VAL 34 1.298 0.484 7.345
259 1HG1 VAL 34 HG12 VAL 34 0.669 1.226 4.619
260 2HG1 VAL 34 HG11 VAL 34 0.971 -0.509 4.728
261 3HG1 VAL 34 HG13 VAL 34 -0.261 0.238 5.745
262 1HG2 VAL 34 HG22 VAL 34 3.617 0.044 5.485
263 2HG2 VAL 34 HG21 VAL 34 3.410 -0.493 7.152
264 3HG2 VAL 34 HG23 VAL 34 2.536 -1.302 5.850
265 H ASP 35 HN ASP 35 0.123 2.939 5.162
266 HA ASP 35 HA ASP 35 -0.989 4.166 7.610
267 1HB ASP 35 HB2 ASP 35 0.770 5.653 6.231
268 2HB ASP 35 HB1 ASP 35 -0.672 5.996 5.275
269 H VAL 36 HN VAL 36 -3.214 5.018 7.179
270 HA VAL 36 HA VAL 36 -4.455 3.638 4.824
271 HB VAL 36 HB VAL 36 -5.268 4.138 7.679
272 1HG1 VAL 36 HG12 VAL 36 -7.093 3.750 5.300
273 2HG1 VAL 36 HG11 VAL 36 -7.575 3.266 6.927
274 3HG1 VAL 36 HG13 VAL 36 -7.211 4.957 6.581
275 1HG2 VAL 36 HG22 VAL 36 -4.366 1.943 6.168
276 2HG2 VAL 36 HG21 VAL 36 -5.024 1.901 7.805
277 3HG2 VAL 36 HG23 VAL 36 -6.089 1.659 6.420
278 H GLY 37 HN GLY 37 -5.327 4.978 3.317
279 1HA GLY 37 HA2 GLY 37 -6.160 7.719 4.173
280 2HA GLY 37 HA1 GLY 37 -5.325 7.440 2.645
281 H PHE 38 HN PHE 38 -8.227 6.333 4.422
282 HA PHE 38 HA PHE 38 -9.577 5.271 2.139
283 1HB PHE 38 HB2 PHE 38 -9.947 5.423 4.865
284 2HB PHE 38 HB1 PHE 38 -11.241 6.457 4.256
285 HD1 PHE 38 HD1 PHE 38 -9.680 3.462 2.660
286 HD2 PHE 38 HD2 PHE 38 -13.194 5.143 4.469
287 HE1 PHE 38 HE1 PHE 38 -10.978 1.453 2.003
288 HE2 PHE 38 HE2 PHE 38 -14.491 3.135 3.812
289 HZ PHE 38 HZ PHE 38 -13.388 1.290 2.586
290 H GLU 39 HN GLU 39 -8.884 8.518 2.968
291 HA GLU 39 HA GLU 39 -11.061 10.058 2.200
292 1HB GLU 39 HB2 GLU 39 -8.186 10.247 2.291
293 2HB GLU 39 HB1 GLU 39 -8.768 11.069 0.843
294 1HG GLU 39 HG2 GLU 39 -9.040 12.803 2.321
295 2HG GLU 39 HG1 GLU 39 -10.577 11.990 2.614
296 H LYS 40 HN LYS 40 -8.999 8.043 0.201
297 HA LYS 40 HA LYS 40 -10.939 8.246 -2.033
298 1HB LYS 40 HB2 LYS 40 -9.192 10.013 -2.323
299 2HB LYS 40 HB1 LYS 40 -7.957 8.755 -2.296
300 1HG LYS 40 HG2 LYS 40 -8.302 8.305 -4.473
301 2HG LYS 40 HG1 LYS 40 -10.021 8.040 -4.178
302 1HD LYS 40 HD2 LYS 40 -10.558 10.309 -4.558
303 2HD LYS 40 HD1 LYS 40 -8.884 10.829 -4.361
304 1HE LYS 40 HE2 LYS 40 -8.783 10.771 -6.639
305 2HE LYS 40 HE1 LYS 40 -8.745 9.005 -6.465
306 1HZ LYS 40 HZ2 LYS 40 -11.312 10.437 -6.314
307 2HZ LYS 40 HZ1 LYS 40 -10.637 10.096 -7.836
308 3HZ LYS 40 HZ3 LYS 40 -11.006 8.829 -6.772
309 H ARG 41 HN ARG 41 -10.579 6.084 -0.305
310 HA ARG 41 HA ARG 41 -9.915 3.812 -0.213
311 1HB ARG 41 HB2 ARG 41 -11.195 4.602 -2.635
312 2HB ARG 41 HB1 ARG 41 -9.989 3.381 -3.043
313 1HG ARG 41 HG2 ARG 41 -12.149 2.338 -2.474
314 2HG ARG 41 HG1 ARG 41 -10.901 1.890 -1.312
315 1HD ARG 41 HD2 ARG 41 -12.953 2.489 -0.102
316 2HD ARG 41 HD1 ARG 41 -11.726 3.736 0.193
317 HE ARG 41 HE ARG 41 -13.054 4.572 -2.116
318 1HH1 ARG 41 HH21 ARG 41 -13.903 3.730 1.126
319 2HH1 ARG 41 HH22 ARG 41 -15.256 4.810 1.188
320 1HH2 ARG 41 HH11 ARG 41 -14.811 5.984 -2.046
321 2HH2 ARG 41 HH12 ARG 41 -15.770 6.086 -0.607
322 H GLU 42 HN GLU 42 -7.612 5.102 0.108
323 HA GLU 42 HA GLU 42 -5.735 3.697 -1.753
324 1HB GLU 42 HB2 GLU 42 -4.367 5.873 -1.579
325 2HB GLU 42 HB1 GLU 42 -5.829 5.942 -2.563
326 1HG GLU 42 HG2 GLU 42 -7.066 6.831 -0.583
327 2HG GLU 42 HG1 GLU 42 -5.544 6.874 0.307
328 H ALA 43 HN ALA 43 -3.447 3.694 -0.763
329 HA ALA 43 HA ALA 43 -3.539 3.791 2.231
330 1HB ALA 43 HB3 ALA 43 -3.650 1.476 0.690
331 2HB ALA 43 HB2 ALA 43 -1.933 1.611 1.068
332 3HB ALA 43 HB1 ALA 43 -3.121 1.547 2.370
333 H VAL 44 HN VAL 44 -1.670 4.789 3.045
334 HA VAL 44 HA VAL 44 0.384 5.480 0.999
335 HB VAL 44 HB VAL 44 -1.094 6.902 2.998
336 1HG1 VAL 44 HG13 VAL 44 0.937 6.398 4.425
337 2HG1 VAL 44 HG12 VAL 44 1.904 7.274 3.243
338 3HG1 VAL 44 HG11 VAL 44 0.650 8.116 4.153
339 1HG2 VAL 44 HG22 VAL 44 0.247 7.322 0.530
340 2HG2 VAL 44 HG21 VAL 44 -0.875 8.408 1.351
341 3HG2 VAL 44 HG23 VAL 44 0.856 8.524 1.666
342 H VAL 45 HN VAL 45 2.250 4.447 1.108
343 HA VAL 45 HA VAL 45 3.064 3.258 3.725
344 HB VAL 45 HB VAL 45 2.208 1.973 1.518
345 1HG1 VAL 45 HG11 VAL 45 4.324 3.054 0.360
346 2HG1 VAL 45 HG13 VAL 45 5.166 1.708 1.129
347 3HG1 VAL 45 HG12 VAL 45 3.855 1.394 -0.008
348 1HG2 VAL 45 HG21 VAL 45 4.095 1.279 3.698
349 2HG2 VAL 45 HG23 VAL 45 2.567 0.525 3.249
350 3HG2 VAL 45 HG22 VAL 45 4.036 0.156 2.344
351 H THR 46 HN THR 46 5.438 2.529 3.438
352 HA THR 46 HA THR 46 7.226 4.396 2.042
353 HB THR 46 HB THR 46 6.715 4.259 5.014
354 HG1 THR 46 HG1 THR 46 5.928 5.989 3.742
355 1HG2 THR 46 HG21 THR 46 9.356 4.491 3.660
356 2HG2 THR 46 HG23 THR 46 9.043 5.604 4.992
357 3HG2 THR 46 HG22 THR 46 8.964 3.863 5.261
358 H PHE 47 HN PHE 47 9.348 3.274 1.840
359 HA PHE 47 HA PHE 47 9.700 0.760 3.312
360 1HB PHE 47 HB2 PHE 47 9.418 -0.658 1.309
361 2HB PHE 47 HB1 PHE 47 7.936 0.237 1.659
362 HD1 PHE 47 HD2 PHE 47 11.036 0.291 -0.455
363 HD2 PHE 47 HD1 PHE 47 7.034 1.776 0.103
364 HE1 PHE 47 HE2 PHE 47 11.120 1.358 -2.681
365 HE2 PHE 47 HE1 PHE 47 7.124 2.842 -2.133
366 HZ PHE 47 HZ PHE 47 9.163 2.634 -3.523
367 H ASP 48 HN ASP 48 11.412 -0.602 1.977
368 HA ASP 48 HA ASP 48 13.626 1.298 1.343
369 1HB ASP 48 HB2 ASP 48 13.428 -0.795 3.127
370 2HB ASP 48 HB1 ASP 48 14.203 -1.566 1.744
371 H ASP 49 HN ASP 49 13.717 1.575 -0.840
372 HA ASP 49 HA ASP 49 12.591 -0.115 -2.799
373 1HB ASP 49 HB2 ASP 49 13.181 2.166 -3.260
374 2HB ASP 49 HB1 ASP 49 14.868 1.880 -2.829
375 H THR 50 HN THR 50 15.441 -0.589 -0.944
376 HA THR 50 HA THR 50 17.054 -2.069 -2.799
377 HB THR 50 HB THR 50 17.783 -1.105 -0.624
378 HG1 THR 50 HG1 THR 50 19.200 -2.666 -0.351
379 1HG2 THR 50 HG21 THR 50 15.668 -1.716 0.584
380 2HG2 THR 50 HG23 THR 50 16.223 -3.391 0.604
381 3HG2 THR 50 HG22 THR 50 17.136 -2.149 1.461
382 H LYS 51 HN LYS 51 14.387 -3.017 -0.648
383 HA LYS 51 HA LYS 51 14.483 -5.748 -1.892
384 1HB LYS 51 HB2 LYS 51 14.249 -4.769 0.918
385 2HB LYS 51 HB1 LYS 51 13.324 -6.208 0.487
386 1HG LYS 51 HG2 LYS 51 16.141 -6.137 -0.452
387 2HG LYS 51 HG1 LYS 51 15.905 -6.317 1.287
388 1HD LYS 51 HD2 LYS 51 15.425 -8.491 0.973
389 2HD LYS 51 HD1 LYS 51 14.020 -8.020 0.015
390 1HE LYS 51 HE2 LYS 51 15.311 -9.372 -1.464
391 2HE LYS 51 HE1 LYS 51 15.726 -7.711 -1.934
392 1HZ LYS 51 HZ2 LYS 51 17.529 -7.870 -0.190
393 2HZ LYS 51 HZ1 LYS 51 17.251 -9.546 -0.179
394 3HZ LYS 51 HZ3 LYS 51 17.775 -8.785 -1.601
395 H ALA 52 HN ALA 52 12.775 -2.938 -1.856
396 HA ALA 52 HA ALA 52 10.267 -4.323 -2.627
397 1HB ALA 52 HB1 ALA 52 10.706 -3.322 -0.058
398 2HB ALA 52 HB3 ALA 52 9.763 -2.061 -0.851
399 3HB ALA 52 HB2 ALA 52 9.137 -3.708 -0.764
400 H SER 53 HN SER 53 8.617 -2.200 -2.974
401 HA SER 53 HA SER 53 9.625 0.250 -3.958
402 1HB SER 53 HB2 SER 53 9.538 -0.531 -6.474
403 2HB SER 53 HB1 SER 53 10.994 -0.826 -5.527
404 HG SER 53 HG SER 53 10.089 -2.667 -6.727
405 H VAL 54 HN VAL 54 7.974 1.326 -5.439
406 HA VAL 54 HA VAL 54 5.340 1.124 -4.620
407 HB VAL 54 HB VAL 54 6.692 1.920 -7.183
408 1HG1 VAL 54 HG12 VAL 54 3.704 1.748 -6.710
409 2HG1 VAL 54 HG11 VAL 54 4.417 2.813 -7.922
410 3HG1 VAL 54 HG13 VAL 54 4.623 1.066 -8.051
411 1HG2 VAL 54 HG21 VAL 54 5.361 3.207 -4.834
412 2HG2 VAL 54 HG23 VAL 54 6.877 3.628 -5.630
413 3HG2 VAL 54 HG22 VAL 54 5.338 4.067 -6.374
414 H GLN 55 HN GLN 55 6.932 -0.829 -7.137
415 HA GLN 55 HA GLN 55 4.640 -2.176 -8.142
416 1HB GLN 55 HB2 GLN 55 6.983 -2.192 -9.044
417 2HB GLN 55 HB1 GLN 55 7.450 -3.238 -7.702
418 1HG GLN 55 HG2 GLN 55 5.233 -4.532 -8.691
419 2HG GLN 55 HG1 GLN 55 5.976 -3.897 -10.159
420 1HE2 GLN 55 HE22 GLN 55 7.861 -6.840 -8.044
421 2HE2 GLN 55 HE21 GLN 55 6.492 -6.069 -7.402
422 H LYS 56 HN LYS 56 6.827 -3.044 -5.455
423 HA LYS 56 HA LYS 56 5.373 -5.421 -4.699
424 1HB LYS 56 HB2 LYS 56 7.425 -3.624 -3.384
425 2HB LYS 56 HB1 LYS 56 6.818 -5.085 -2.603
426 1HG LYS 56 HG2 LYS 56 7.963 -5.117 -5.400
427 2HG LYS 56 HG1 LYS 56 8.969 -5.346 -3.970
428 1HD LYS 56 HD2 LYS 56 6.540 -6.987 -3.933
429 2HD LYS 56 HD1 LYS 56 7.599 -7.352 -5.296
430 1HE LYS 56 HE2 LYS 56 9.525 -7.443 -3.609
431 2HE LYS 56 HE1 LYS 56 8.278 -7.445 -2.345
432 1HZ LYS 56 HZ2 LYS 56 7.197 -9.257 -3.771
433 2HZ LYS 56 HZ1 LYS 56 8.725 -9.418 -4.497
434 3HZ LYS 56 HZ3 LYS 56 8.545 -9.688 -2.832
435 H LEU 57 HN LEU 57 4.998 -2.003 -3.892
436 HA LEU 57 HA LEU 57 3.423 -2.426 -1.492
437 1HB LEU 57 HB2 LEU 57 3.389 -0.128 -3.472
438 2HB LEU 57 HB1 LEU 57 2.912 -0.061 -1.781
439 HG LEU 57 HG LEU 57 5.706 -0.602 -2.820
440 1HD1 LEU 57 HD11 LEU 57 4.177 1.776 -2.188
441 2HD1 LEU 57 HD13 LEU 57 5.592 1.647 -1.144
442 3HD1 LEU 57 HD12 LEU 57 5.786 1.645 -2.896
443 1HD2 LEU 57 HD23 LEU 57 4.439 -0.848 -0.126
444 2HD2 LEU 57 HD22 LEU 57 5.839 -1.693 -0.786
445 3HD2 LEU 57 HD21 LEU 57 6.009 -0.046 -0.182
446 H THR 58 HN THR 58 2.507 -1.400 -4.798
447 HA THR 58 HA THR 58 -0.294 -1.733 -4.546
448 HB THR 58 HB THR 58 1.557 -2.132 -6.927
449 HG1 THR 58 HG1 THR 58 0.973 0.008 -5.479
450 1HG2 THR 58 HG22 THR 58 -0.733 -3.021 -7.280
451 2HG2 THR 58 HG21 THR 58 -1.393 -1.447 -6.838
452 3HG2 THR 58 HG23 THR 58 -0.405 -1.614 -8.291
453 H LYS 59 HN LYS 59 2.297 -4.074 -5.123
454 HA LYS 59 HA LYS 59 0.549 -6.244 -5.864
455 1HB LYS 59 HB2 LYS 59 2.966 -5.970 -6.483
456 2HB LYS 59 HB1 LYS 59 3.383 -6.248 -4.791
457 1HG LYS 59 HG2 LYS 59 3.605 -8.380 -5.758
458 2HG LYS 59 HG1 LYS 59 1.999 -8.427 -5.032
459 1HD LYS 59 HD2 LYS 59 1.602 -7.346 -7.593
460 2HD LYS 59 HD1 LYS 59 2.747 -8.667 -7.828
461 1HE LYS 59 HE2 LYS 59 0.223 -9.013 -6.183
462 2HE LYS 59 HE1 LYS 59 0.275 -9.332 -7.929
463 1HZ LYS 59 HZ1 LYS 59 2.421 -10.416 -6.254
464 2HZ LYS 59 HZ3 LYS 59 0.914 -11.192 -6.204
465 3HZ LYS 59 HZ2 LYS 59 1.742 -11.043 -7.680
466 H ALA 60 HN ALA 60 1.830 -4.946 -2.880
467 HA ALA 60 HA ALA 60 1.261 -7.203 -1.205
468 1HB ALA 60 HB2 ALA 60 2.612 -4.835 -0.996
469 2HB ALA 60 HB1 ALA 60 1.156 -4.472 -0.071
470 3HB ALA 60 HB3 ALA 60 2.178 -5.834 0.390
471 H THR 61 HN THR 61 -0.447 -4.108 -1.765
472 HA THR 61 HA THR 61 -2.789 -4.832 -0.243
473 HB THR 61 HB THR 61 -2.016 -2.512 -0.895
474 HG1 THR 61 HG1 THR 61 -4.533 -2.841 -2.046
475 1HG2 THR 61 HG22 THR 61 -1.352 -3.087 -3.206
476 2HG2 THR 61 HG21 THR 61 -3.043 -3.373 -3.615
477 3HG2 THR 61 HG23 THR 61 -2.502 -1.750 -3.186
478 H ALA 62 HN ALA 62 -1.652 -5.253 -3.472
479 HA ALA 62 HA ALA 62 -4.119 -6.082 -4.709
480 1HB ALA 62 HB1 ALA 62 -1.181 -6.260 -5.253
481 2HB ALA 62 HB3 ALA 62 -2.268 -7.243 -6.230
482 3HB ALA 62 HB2 ALA 62 -2.442 -5.488 -6.213
483 H ASP 63 HN ASP 63 -1.629 -7.696 -2.822
484 HA ASP 63 HA ASP 63 -2.735 -10.382 -3.326
485 1HB ASP 63 HB2 ASP 63 -0.328 -10.078 -3.099
486 2HB ASP 63 HB1 ASP 63 -0.542 -9.258 -1.551
487 H ALA 64 HN ALA 64 -3.302 -7.742 -1.244
488 HA ALA 64 HA ALA 64 -4.217 -9.244 1.085
489 1HB ALA 64 HB2 ALA 64 -3.463 -6.657 0.504
490 2HB ALA 64 HB1 ALA 64 -5.219 -6.509 0.571
491 3HB ALA 64 HB3 ALA 64 -4.333 -7.129 1.964
492 H GLY 65 HN GLY 65 -5.556 -7.904 -1.880
493 1HA GLY 65 HA2 GLY 65 -7.553 -9.441 -2.582
494 2HA GLY 65 HA1 GLY 65 -8.264 -8.846 -1.086
495 H TYR 66 HN TYR 66 -6.290 -6.811 -3.213
496 HA TYR 66 HA TYR 66 -8.742 -5.531 -4.304
497 1HB TYR 66 HB2 TYR 66 -6.669 -4.033 -2.692
498 2HB TYR 66 HB1 TYR 66 -8.173 -3.388 -3.338
499 HD1 TYR 66 HD1 TYR 66 -10.344 -4.636 -2.574
500 HD2 TYR 66 HD2 TYR 66 -6.579 -4.748 -0.538
501 HE1 TYR 66 HE1 TYR 66 -11.509 -5.199 -0.466
502 HE2 TYR 66 HE2 TYR 66 -7.730 -5.303 1.564
503 HH TYR 66 HH TYR 66 -10.726 -6.492 1.778
504 HA PRO 67 HA PRO 67 -5.570 -5.299 -7.563
505 1HB PRO 67 HB2 PRO 67 -7.576 -4.157 -9.264
506 2HB PRO 67 HB1 PRO 67 -6.968 -5.815 -9.295
507 1HG PRO 67 HG2 PRO 67 -9.545 -4.873 -8.394
508 2HG PRO 67 HG1 PRO 67 -8.971 -6.538 -8.524
509 1HD PRO 67 HD2 PRO 67 -9.406 -5.025 -6.122
510 2HD PRO 67 HD1 PRO 67 -8.737 -6.670 -6.258
511 H SER 68 HN SER 68 -4.456 -3.515 -6.505
512 HA SER 68 HA SER 68 -5.729 -0.832 -6.798
513 1HB SER 68 HB2 SER 68 -4.999 -0.565 -4.682
514 2HB SER 68 HB1 SER 68 -4.459 -2.238 -4.715
515 HG SER 68 HG SER 68 -2.453 -1.586 -5.261
516 H SER 69 HN SER 69 -3.553 0.767 -6.508
517 HA SER 69 HA SER 69 -1.530 0.175 -8.578
518 1HB SER 69 HB2 SER 69 -3.520 2.465 -8.716
519 2HB SER 69 HB1 SER 69 -2.181 2.213 -9.831
520 HG SER 69 HG SER 69 -3.409 0.864 -10.861
521 H VAL 70 HN VAL 70 -0.640 2.880 -8.740
522 HA VAL 70 HA VAL 70 -0.168 3.591 -5.898
523 HB VAL 70 HB VAL 70 1.472 2.008 -7.094
524 1HG1 VAL 70 HG11 VAL 70 1.428 3.914 -9.037
525 2HG1 VAL 70 HG13 VAL 70 2.861 4.411 -8.136
526 3HG1 VAL 70 HG12 VAL 70 2.764 2.784 -8.812
527 1HG2 VAL 70 HG22 VAL 70 1.899 4.259 -5.296
528 2HG2 VAL 70 HG21 VAL 70 2.601 2.643 -5.240
529 3HG2 VAL 70 HG23 VAL 70 3.357 3.898 -6.220
530 H LYS 71 HN LYS 71 0.427 5.819 -5.577
531 HA LYS 71 HA LYS 71 -0.005 7.515 -8.014
532 1HB LYS 71 HB2 LYS 71 -1.792 7.256 -6.067
533 2HB LYS 71 HB1 LYS 71 -0.770 8.487 -5.310
534 1HG LYS 71 HG2 LYS 71 -1.449 10.066 -6.743
535 2HG LYS 71 HG1 LYS 71 -1.176 9.008 -8.129
536 1HD LYS 71 HD2 LYS 71 -3.335 8.203 -8.129
537 2HD LYS 71 HD1 LYS 71 -3.527 8.414 -6.389
538 1HE LYS 71 HE2 LYS 71 -4.901 10.127 -7.267
539 2HE LYS 71 HE1 LYS 71 -3.377 10.985 -6.963
540 1HZ LYS 71 HZ3 LYS 71 -3.494 9.573 -9.485
541 2HZ LYS 71 HZ2 LYS 71 -4.582 10.873 -9.364
542 3HZ LYS 71 HZ1 LYS 71 -2.918 11.131 -9.143
543 H GLN 72 HN GLN 72 2.467 6.821 -7.351
544 HA GLN 72 HA GLN 72 3.975 8.362 -5.523
545 1HB GLN 72 HB2 GLN 72 5.835 7.734 -6.926
546 2HB GLN 72 HB1 GLN 72 4.662 6.419 -7.024
547 1HG GLN 72 HG2 GLN 72 5.053 6.726 -9.276
548 2HG GLN 72 HG1 GLN 72 3.743 7.886 -9.055
549 1HE2 GLN 72 HE22 GLN 72 6.107 10.066 -10.661
550 2HE2 GLN 72 HE21 GLN 72 4.799 9.028 -10.969
No H/Q in entry = 550
Start of MODEL 13
1 1H ALA 1 HT2 ALA 1 17.170 1.407 -0.222
2 2H ALA 1 HT1 ALA 1 18.381 2.375 -0.917
3 3H ALA 1 HT3 ALA 1 18.164 2.369 0.765
4 HA ALA 1 HA ALA 1 17.198 4.380 -0.087
5 1HB ALA 1 HB1 ALA 1 16.779 2.644 -2.267
6 2HB ALA 1 HB3 ALA 1 15.165 3.112 -1.729
7 3HB ALA 1 HB2 ALA 1 16.338 4.350 -2.179
8 H THR 2 HN THR 2 15.153 5.167 0.759
9 HA THR 2 HA THR 2 13.256 3.277 1.942
10 HB THR 2 HB THR 2 13.817 5.096 3.968
11 HG1 THR 2 HG1 THR 2 16.264 4.051 3.030
12 1HG2 THR 2 HG21 THR 2 14.133 2.242 3.433
13 2HG2 THR 2 HG23 THR 2 15.290 2.848 4.619
14 3HG2 THR 2 HG22 THR 2 13.559 3.053 4.891
15 H GLN 3 HN GLN 3 11.810 4.313 0.444
16 HA GLN 3 HA GLN 3 11.253 7.209 1.043
17 1HB GLN 3 HB2 GLN 3 11.157 5.628 -1.539
18 2HB GLN 3 HB1 GLN 3 10.561 7.281 -1.387
19 1HG GLN 3 HG2 GLN 3 13.245 6.956 -0.271
20 2HG GLN 3 HG1 GLN 3 13.175 6.552 -1.986
21 1HE2 GLN 3 HE22 GLN 3 12.967 9.922 -2.968
22 2HE2 GLN 3 HE21 GLN 3 13.277 8.310 -3.401
23 H THR 4 HN THR 4 8.977 7.849 0.328
24 HA THR 4 HA THR 4 7.038 5.745 1.208
25 HB THR 4 HB THR 4 6.832 8.773 1.219
26 HG1 THR 4 HG1 THR 4 7.267 8.521 3.447
27 1HG2 THR 4 HG23 THR 4 4.993 6.583 1.821
28 2HG2 THR 4 HG22 THR 4 5.175 7.704 3.169
29 3HG2 THR 4 HG21 THR 4 4.656 8.299 1.592
30 H VAL 5 HN VAL 5 4.983 5.662 0.076
31 HA VAL 5 HA VAL 5 4.687 7.165 -2.473
32 HB VAL 5 HB VAL 5 4.504 4.173 -2.553
33 1HG1 VAL 5 HG11 VAL 5 3.947 6.019 -4.386
34 2HG1 VAL 5 HG13 VAL 5 5.681 5.906 -4.679
35 3HG1 VAL 5 HG12 VAL 5 4.667 4.473 -4.835
36 1HG2 VAL 5 HG22 VAL 5 7.081 5.766 -2.772
37 2HG2 VAL 5 HG21 VAL 5 6.714 4.541 -1.558
38 3HG2 VAL 5 HG23 VAL 5 6.904 4.077 -3.249
39 H THR 6 HN THR 6 2.512 6.783 -3.353
40 HA THR 6 HA THR 6 0.591 5.993 -1.218
41 HB THR 6 HB THR 6 -0.845 7.364 -3.036
42 HG1 THR 6 HG1 THR 6 0.547 9.004 -3.871
43 1HG2 THR 6 HG21 THR 6 0.351 7.895 -0.559
44 2HG2 THR 6 HG23 THR 6 0.760 9.277 -1.575
45 3HG2 THR 6 HG22 THR 6 -0.929 8.831 -1.333
46 H LEU 7 HN LEU 7 -1.341 4.775 -2.067
47 HA LEU 7 HA LEU 7 -0.706 3.318 -4.595
48 1HB LEU 7 HB2 LEU 7 -0.798 2.421 -1.836
49 2HB LEU 7 HB1 LEU 7 -1.974 1.540 -2.814
50 HG LEU 7 HG LEU 7 -0.298 0.842 -4.361
51 1HD1 LEU 7 HD12 LEU 7 1.384 2.921 -3.005
52 2HD1 LEU 7 HD11 LEU 7 2.134 1.596 -3.894
53 3HD1 LEU 7 HD13 LEU 7 1.052 2.711 -4.720
54 1HD2 LEU 7 HD21 LEU 7 0.814 0.688 -1.540
55 2HD2 LEU 7 HD23 LEU 7 -0.276 -0.476 -2.293
56 3HD2 LEU 7 HD22 LEU 7 1.376 -0.301 -2.887
57 H ALA 8 HN ALA 8 -2.582 2.483 -5.667
58 HA ALA 8 HA ALA 8 -5.095 3.940 -4.913
59 1HB ALA 8 HB3 ALA 8 -4.006 2.890 -7.545
60 2HB ALA 8 HB2 ALA 8 -5.585 3.655 -7.366
61 3HB ALA 8 HB1 ALA 8 -4.118 4.580 -7.049
62 H VAL 9 HN VAL 9 -6.217 2.421 -3.654
63 HA VAL 9 HA VAL 9 -6.654 -0.272 -4.904
64 HB VAL 9 HB VAL 9 -5.456 -0.521 -2.854
65 1HG1 VAL 9 HG13 VAL 9 -7.080 1.823 -2.062
66 2HG1 VAL 9 HG12 VAL 9 -6.784 0.650 -0.779
67 3HG1 VAL 9 HG11 VAL 9 -5.427 1.398 -1.620
68 1HG2 VAL 9 HG23 VAL 9 -8.257 -1.259 -2.962
69 2HG2 VAL 9 HG22 VAL 9 -6.899 -2.155 -2.287
70 3HG2 VAL 9 HG21 VAL 9 -7.755 -0.978 -1.298
71 HA PRO 10 HA PRO 10 -10.769 1.704 -5.003
72 1HB PRO 10 HB2 PRO 10 -11.563 -0.009 -7.085
73 2HB PRO 10 HB1 PRO 10 -10.901 1.619 -7.271
74 1HG PRO 10 HG2 PRO 10 -9.659 -0.925 -7.928
75 2HG PRO 10 HG1 PRO 10 -9.088 0.708 -8.286
76 1HD PRO 10 HD2 PRO 10 -8.106 -1.124 -6.269
77 2HD PRO 10 HD1 PRO 10 -7.499 0.505 -6.662
78 H GLY 11 HN GLY 11 -10.032 -0.544 -3.147
79 1HA GLY 11 HA2 GLY 11 -12.013 -2.637 -3.513
80 2HA GLY 11 HA1 GLY 11 -11.018 -2.386 -2.079
81 H MET 12 HN MET 12 -11.683 0.172 -1.345
82 HA MET 12 HA MET 12 -13.279 1.128 0.138
83 1HB MET 12 HB2 MET 12 -15.197 1.930 -1.190
84 2HB MET 12 HB1 MET 12 -13.714 2.037 -2.137
85 1HG MET 12 HG2 MET 12 -14.264 0.095 -3.406
86 2HG MET 12 HG1 MET 12 -15.550 -0.360 -2.290
87 1HE MET 12 HE3 MET 12 -14.071 1.956 -4.643
88 2HE MET 12 HE2 MET 12 -15.144 1.270 -5.861
89 3HE MET 12 HE1 MET 12 -15.345 2.949 -5.364
90 H THR 13 HN THR 13 -13.128 -1.418 0.905
91 HA THR 13 HA THR 13 -15.761 -2.746 0.747
92 HB THR 13 HB THR 13 -14.247 -4.102 2.605
93 HG1 THR 13 HG1 THR 13 -12.393 -3.282 0.671
94 1HG2 THR 13 HG23 THR 13 -15.339 -4.718 0.289
95 2HG2 THR 13 HG22 THR 13 -13.694 -4.506 -0.312
96 3HG2 THR 13 HG21 THR 13 -14.029 -5.705 0.938
97 H CYS 14 HN CYS 14 -15.072 -0.064 2.212
98 HA CYS 14 HA CYS 14 -15.982 1.038 4.085
99 1HB CYS 14 HB2 CYS 14 -17.874 -0.567 3.353
100 2HB CYS 14 HB1 CYS 14 -17.350 -1.589 4.691
101 HG CYS 14 HG CYS 14 -17.688 1.080 5.875
102 H ALA 15 HN ALA 15 -13.882 1.085 5.118
103 HA ALA 15 HA ALA 15 -12.489 0.723 6.994
104 1HB ALA 15 HB1 ALA 15 -14.927 0.547 7.924
105 2HB ALA 15 HB3 ALA 15 -14.595 -1.184 7.992
106 3HB ALA 15 HB2 ALA 15 -13.600 -0.058 8.915
107 H ALA 16 HN ALA 16 -12.819 -1.293 4.589
108 HA ALA 16 HA ALA 16 -11.301 -3.523 5.918
109 1HB ALA 16 HB3 ALA 16 -13.736 -3.511 4.443
110 2HB ALA 16 HB2 ALA 16 -12.522 -4.286 3.424
111 3HB ALA 16 HB1 ALA 16 -12.849 -4.914 5.039
112 H CYS 17 HN CYS 17 -11.838 -1.818 2.829
113 HA CYS 17 HA CYS 17 -9.589 -2.750 1.403
114 1HB CYS 17 HB2 CYS 17 -11.120 -1.569 0.147
115 2HB CYS 17 HB1 CYS 17 -11.393 -0.370 1.402
116 HG CYS 17 HG CYS 17 -9.398 0.967 0.589
117 HA PRO 18 HA PRO 18 -7.078 0.929 3.227
118 1HB PRO 18 HB2 PRO 18 -8.128 1.995 5.575
119 2HB PRO 18 HB1 PRO 18 -8.336 2.672 3.956
120 1HG PRO 18 HG2 PRO 18 -10.299 1.301 5.653
121 2HG PRO 18 HG1 PRO 18 -10.567 2.314 4.234
122 1HD PRO 18 HD2 PRO 18 -10.730 -0.537 4.380
123 2HD PRO 18 HD1 PRO 18 -10.863 0.472 2.921
124 H ILE 19 HN ILE 19 -8.531 -1.501 5.282
125 HA ILE 19 HA ILE 19 -6.333 -1.345 7.273
126 HB ILE 19 HB ILE 19 -8.870 -2.951 6.916
127 1HG1 ILE 19 HG12 ILE 19 -7.859 -0.869 8.870
128 2HG1 ILE 19 HG11 ILE 19 -9.269 -0.769 7.814
129 1HG2 ILE 19 HG21 ILE 19 -6.762 -3.266 9.078
130 2HG2 ILE 19 HG23 ILE 19 -8.340 -4.054 9.066
131 3HG2 ILE 19 HG22 ILE 19 -7.144 -4.455 7.833
132 1HD1 ILE 19 HD13 ILE 19 -9.737 -3.068 9.308
133 2HD1 ILE 19 HD12 ILE 19 -9.028 -1.952 10.475
134 3HD1 ILE 19 HD11 ILE 19 -10.477 -1.490 9.583
135 H THR 20 HN THR 20 -7.451 -3.279 4.601
136 HA THR 20 HA THR 20 -5.510 -5.433 5.016
137 HB THR 20 HB THR 20 -7.751 -4.681 3.190
138 HG1 THR 20 HG1 THR 20 -7.167 -7.263 4.054
139 1HG2 THR 20 HG21 THR 20 -5.462 -6.477 2.443
140 2HG2 THR 20 HG23 THR 20 -7.082 -6.767 1.809
141 3HG2 THR 20 HG22 THR 20 -6.263 -5.242 1.472
142 H VAL 21 HN VAL 21 -6.059 -2.818 2.634
143 HA VAL 21 HA VAL 21 -3.765 -3.282 1.051
144 HB VAL 21 HB VAL 21 -5.266 -0.754 1.799
145 1HG1 VAL 21 HG11 VAL 21 -2.979 -0.247 0.973
146 2HG1 VAL 21 HG13 VAL 21 -3.299 -1.215 -0.466
147 3HG1 VAL 21 HG12 VAL 21 -4.215 0.264 -0.177
148 1HG2 VAL 21 HG23 VAL 21 -6.021 -2.970 0.287
149 2HG2 VAL 21 HG22 VAL 21 -6.765 -1.373 0.223
150 3HG2 VAL 21 HG21 VAL 21 -5.494 -1.799 -0.923
151 H LYS 22 HN LYS 22 -4.201 -1.147 3.877
152 HA LYS 22 HA LYS 22 -1.533 -0.178 4.052
153 1HB LYS 22 HB2 LYS 22 -3.382 0.738 5.331
154 2HB LYS 22 HB1 LYS 22 -3.654 -0.811 6.130
155 1HG LYS 22 HG2 LYS 22 -1.127 -0.516 6.862
156 2HG LYS 22 HG1 LYS 22 -1.464 1.190 6.567
157 1HD LYS 22 HD2 LYS 22 -3.402 1.075 8.091
158 2HD LYS 22 HD1 LYS 22 -3.066 -0.630 8.392
159 1HE LYS 22 HE2 LYS 22 -0.615 0.541 8.906
160 2HE LYS 22 HE1 LYS 22 -1.760 1.746 9.528
161 1HZ LYS 22 HZ3 LYS 22 -2.151 -1.135 10.047
162 2HZ LYS 22 HZ2 LYS 22 -1.143 -0.205 11.049
163 3HZ LYS 22 HZ1 LYS 22 -2.788 0.190 10.892
164 H LYS 23 HN LYS 23 -3.045 -3.068 5.525
165 HA LYS 23 HA LYS 23 -0.560 -3.987 6.729
166 1HB LYS 23 HB2 LYS 23 -3.374 -4.912 6.365
167 2HB LYS 23 HB1 LYS 23 -2.167 -6.127 6.786
168 1HG LYS 23 HG2 LYS 23 -1.909 -3.676 8.369
169 2HG LYS 23 HG1 LYS 23 -3.469 -4.471 8.585
170 1HD LYS 23 HD2 LYS 23 -1.555 -6.542 8.575
171 2HD LYS 23 HD1 LYS 23 -0.876 -5.267 9.588
172 1HE LYS 23 HE2 LYS 23 -3.684 -5.535 10.186
173 2HE LYS 23 HE1 LYS 23 -2.897 -7.122 10.312
174 1HZ LYS 23 HZ3 LYS 23 -1.025 -5.691 11.418
175 2HZ LYS 23 HZ2 LYS 23 -2.312 -4.638 11.764
176 3HZ LYS 23 HZ1 LYS 23 -2.343 -6.239 12.334
177 H ALA 24 HN ALA 24 -1.555 -3.922 3.522
178 HA ALA 24 HA ALA 24 -0.544 -6.544 2.749
179 1HB ALA 24 HB3 ALA 24 -2.187 -4.447 1.692
180 2HB ALA 24 HB2 ALA 24 -0.884 -4.767 0.547
181 3HB ALA 24 HB1 ALA 24 -1.955 -6.073 1.051
182 H LEU 25 HN LEU 25 0.335 -3.174 2.090
183 HA LEU 25 HA LEU 25 2.982 -3.998 1.131
184 1HB LEU 25 HB2 LEU 25 3.170 -1.279 1.449
185 2HB LEU 25 HB1 LEU 25 2.612 -2.065 -0.010
186 HG LEU 25 HG LEU 25 1.168 -0.205 0.772
187 1HD1 LEU 25 HD11 LEU 25 0.118 -2.949 0.355
188 2HD1 LEU 25 HD13 LEU 25 -0.995 -1.642 0.741
189 3HD1 LEU 25 HD12 LEU 25 0.030 -1.534 -0.678
190 1HD2 LEU 25 HD22 LEU 25 1.008 -1.903 3.189
191 2HD2 LEU 25 HD21 LEU 25 1.091 -0.155 3.041
192 3HD2 LEU 25 HD23 LEU 25 -0.417 -0.990 2.714
193 H SER 26 HN SER 26 1.484 -3.365 4.096
194 HA SER 26 HA SER 26 3.847 -2.374 5.528
195 1HB SER 26 HB2 SER 26 1.621 -1.833 6.319
196 2HB SER 26 HB1 SER 26 1.149 -3.526 6.302
197 HG SER 26 HG SER 26 1.698 -2.833 8.404
198 H LYS 27 HN LYS 27 2.226 -5.493 4.951
199 HA LYS 27 HA LYS 27 4.383 -6.829 6.509
200 1HB LYS 27 HB2 LYS 27 2.747 -8.280 7.141
201 2HB LYS 27 HB1 LYS 27 1.631 -7.088 6.487
202 1HG LYS 27 HG2 LYS 27 2.823 -9.370 4.881
203 2HG LYS 27 HG1 LYS 27 1.221 -9.400 5.618
204 1HD LYS 27 HD2 LYS 27 0.352 -7.870 4.128
205 2HD LYS 27 HD1 LYS 27 1.905 -7.068 3.884
206 1HE LYS 27 HE2 LYS 27 1.122 -8.403 1.883
207 2HE LYS 27 HE1 LYS 27 2.695 -8.933 2.511
208 1HZ LYS 27 HZ2 LYS 27 0.228 -10.079 3.629
209 2HZ LYS 27 HZ1 LYS 27 0.811 -10.672 2.147
210 3HZ LYS 27 HZ3 LYS 27 1.781 -10.761 3.536
211 H VAL 28 HN VAL 28 3.877 -5.864 3.411
212 HA VAL 28 HA VAL 28 4.256 -8.101 1.751
213 HB VAL 28 HB VAL 28 3.782 -5.883 0.912
214 1HG1 VAL 28 HG11 VAL 28 5.403 -4.924 2.817
215 2HG1 VAL 28 HG13 VAL 28 6.537 -4.888 1.467
216 3HG1 VAL 28 HG12 VAL 28 5.018 -3.997 1.367
217 1HG2 VAL 28 HG23 VAL 28 5.879 -7.538 -0.072
218 2HG2 VAL 28 HG22 VAL 28 4.853 -6.432 -0.985
219 3HG2 VAL 28 HG21 VAL 28 6.379 -5.863 -0.309
220 H GLU 29 HN GLU 29 6.880 -6.046 3.162
221 HA GLU 29 HA GLU 29 8.588 -8.151 3.904
222 1HB GLU 29 HB2 GLU 29 8.331 -7.720 1.031
223 2HB GLU 29 HB1 GLU 29 10.009 -7.603 1.565
224 1HG GLU 29 HG2 GLU 29 8.980 -9.783 2.978
225 2HG GLU 29 HG1 GLU 29 8.311 -9.954 1.355
226 H GLY 30 HN GLY 30 9.835 -5.752 1.644
227 1HA GLY 30 HA2 GLY 30 11.710 -4.732 3.560
228 2HA GLY 30 HA1 GLY 30 11.387 -4.029 1.980
229 H VAL 31 HN VAL 31 8.428 -3.810 2.845
230 HA VAL 31 HA VAL 31 8.198 -1.125 3.421
231 HB VAL 31 HB VAL 31 6.366 -2.713 3.050
232 1HG1 VAL 31 HG12 VAL 31 7.505 -4.327 4.811
233 2HG1 VAL 31 HG11 VAL 31 6.466 -3.470 5.950
234 3HG1 VAL 31 HG13 VAL 31 5.755 -4.344 4.593
235 1HG2 VAL 31 HG23 VAL 31 6.368 -0.458 4.656
236 2HG2 VAL 31 HG22 VAL 31 4.922 -1.273 4.065
237 3HG2 VAL 31 HG21 VAL 31 5.554 -1.651 5.668
238 H SER 32 HN SER 32 8.269 0.191 5.108
239 HA SER 32 HA SER 32 9.275 -0.891 7.717
240 1HB SER 32 HB2 SER 32 10.269 1.238 5.885
241 2HB SER 32 HB1 SER 32 10.411 1.545 7.613
242 HG SER 32 HG SER 32 11.188 -0.933 6.528
243 H LYS 33 HN LYS 33 6.902 0.916 6.104
244 HA LYS 33 HA LYS 33 5.672 1.676 8.662
245 1HB LYS 33 HB2 LYS 33 6.879 3.611 8.733
246 2HB LYS 33 HB1 LYS 33 7.285 3.536 7.024
247 1HG LYS 33 HG2 LYS 33 4.975 4.313 6.477
248 2HG LYS 33 HG1 LYS 33 4.646 4.462 8.204
249 1HD LYS 33 HD2 LYS 33 7.042 5.832 7.882
250 2HD LYS 33 HD1 LYS 33 6.126 6.260 6.436
251 1HE LYS 33 HE2 LYS 33 4.272 6.370 8.570
252 2HE LYS 33 HE1 LYS 33 5.737 7.194 9.143
253 1HZ LYS 33 HZ2 LYS 33 5.804 8.302 6.913
254 2HZ LYS 33 HZ1 LYS 33 4.240 7.702 6.633
255 3HZ LYS 33 HZ3 LYS 33 4.515 8.785 7.908
256 H VAL 34 HN VAL 34 3.480 2.728 8.248
257 HA VAL 34 HA VAL 34 2.439 2.537 5.498
258 HB VAL 34 HB VAL 34 0.809 0.880 7.213
259 1HG1 VAL 34 HG12 VAL 34 1.670 1.043 4.537
260 2HG1 VAL 34 HG11 VAL 34 2.199 -0.536 5.117
261 3HG1 VAL 34 HG13 VAL 34 0.496 -0.085 5.212
262 1HG2 VAL 34 HG22 VAL 34 3.129 0.519 8.288
263 2HG2 VAL 34 HG21 VAL 34 2.260 -0.913 7.761
264 3HG2 VAL 34 HG23 VAL 34 3.570 -0.271 6.774
265 H ASP 35 HN ASP 35 0.264 3.368 5.327
266 HA ASP 35 HA ASP 35 -1.115 4.342 7.743
267 1HB ASP 35 HB2 ASP 35 0.698 5.952 6.165
268 2HB ASP 35 HB1 ASP 35 -0.938 6.599 6.036
269 H VAL 36 HN VAL 36 -3.320 5.179 7.099
270 HA VAL 36 HA VAL 36 -4.149 3.945 4.499
271 HB VAL 36 HB VAL 36 -6.439 4.040 5.714
272 1HG1 VAL 36 HG11 VAL 36 -4.923 2.020 5.364
273 2HG1 VAL 36 HG13 VAL 36 -4.309 2.311 6.991
274 3HG1 VAL 36 HG12 VAL 36 -6.012 1.924 6.748
275 1HG2 VAL 36 HG21 VAL 36 -5.207 5.610 7.489
276 2HG2 VAL 36 HG23 VAL 36 -6.507 4.520 7.972
277 3HG2 VAL 36 HG22 VAL 36 -4.825 4.055 8.228
278 H GLY 37 HN GLY 37 -4.988 5.225 2.936
279 1HA GLY 37 HA2 GLY 37 -5.784 8.016 3.662
280 2HA GLY 37 HA1 GLY 37 -4.953 7.627 2.155
281 H PHE 38 HN PHE 38 -7.787 6.359 3.928
282 HA PHE 38 HA PHE 38 -9.201 5.404 1.667
283 1HB PHE 38 HB2 PHE 38 -9.465 5.411 4.377
284 2HB PHE 38 HB1 PHE 38 -10.736 6.547 3.930
285 HD1 PHE 38 HD2 PHE 38 -9.533 3.646 1.908
286 HD2 PHE 38 HD1 PHE 38 -12.679 5.250 4.356
287 HE1 PHE 38 HE2 PHE 38 -11.001 1.761 1.256
288 HE2 PHE 38 HE1 PHE 38 -14.142 3.359 3.705
289 HZ PHE 38 HZ PHE 38 -13.311 1.616 2.160
290 H GLU 39 HN GLU 39 -8.684 8.665 2.720
291 HA GLU 39 HA GLU 39 -10.981 10.030 1.879
292 1HB GLU 39 HB2 GLU 39 -8.185 10.541 2.377
293 2HB GLU 39 HB1 GLU 39 -8.711 11.477 0.977
294 1HG GLU 39 HG2 GLU 39 -9.191 12.863 2.851
295 2HG GLU 39 HG1 GLU 39 -10.742 12.156 2.398
296 H LYS 40 HN LYS 40 -8.649 8.291 -0.029
297 HA LYS 40 HA LYS 40 -10.240 8.841 -2.474
298 1HB LYS 40 HB2 LYS 40 -8.143 10.416 -1.974
299 2HB LYS 40 HB1 LYS 40 -7.258 9.046 -2.647
300 1HG LYS 40 HG2 LYS 40 -7.713 10.054 -4.640
301 2HG LYS 40 HG1 LYS 40 -9.282 9.269 -4.454
302 1HD LYS 40 HD2 LYS 40 -9.344 11.685 -2.940
303 2HD LYS 40 HD1 LYS 40 -8.704 12.073 -4.536
304 1HE LYS 40 HE2 LYS 40 -10.766 10.391 -5.200
305 2HE LYS 40 HE1 LYS 40 -11.427 11.217 -3.775
306 1HZ LYS 40 HZ1 LYS 40 -10.037 12.645 -5.971
307 2HZ LYS 40 HZ3 LYS 40 -11.719 12.433 -5.938
308 3HZ LYS 40 HZ2 LYS 40 -10.953 13.320 -4.709
309 H ARG 41 HN ARG 41 -10.071 6.464 -0.919
310 HA ARG 41 HA ARG 41 -9.443 4.174 -1.049
311 1HB ARG 41 HB2 ARG 41 -9.430 4.733 -4.013
312 2HB ARG 41 HB1 ARG 41 -10.034 3.307 -3.172
313 1HG ARG 41 HG2 ARG 41 -11.247 6.079 -3.085
314 2HG ARG 41 HG1 ARG 41 -11.902 4.682 -3.938
315 1HD ARG 41 HD2 ARG 41 -12.679 3.697 -2.002
316 2HD ARG 41 HD1 ARG 41 -11.340 4.329 -1.025
317 HE ARG 41 HE ARG 41 -12.773 6.588 -1.856
318 1HH1 ARG 41 HH21 ARG 41 -13.395 3.664 -0.126
319 2HH1 ARG 41 HH22 ARG 41 -14.657 4.351 0.840
320 1HH2 ARG 41 HH11 ARG 41 -14.420 7.497 -0.599
321 2HH2 ARG 41 HH12 ARG 41 -15.237 6.518 0.573
322 H GLU 42 HN GLU 42 -7.139 5.401 -0.426
323 HA GLU 42 HA GLU 42 -5.177 4.048 -2.199
324 1HB GLU 42 HB2 GLU 42 -3.859 6.190 -2.287
325 2HB GLU 42 HB1 GLU 42 -5.414 6.291 -3.114
326 1HG GLU 42 HG2 GLU 42 -6.353 7.644 -1.482
327 2HG GLU 42 HG1 GLU 42 -5.292 7.028 -0.214
328 H ALA 43 HN ALA 43 -3.158 3.611 -1.126
329 HA ALA 43 HA ALA 43 -3.242 4.084 1.844
330 1HB ALA 43 HB3 ALA 43 -2.136 1.815 0.156
331 2HB ALA 43 HB2 ALA 43 -1.946 1.928 1.906
332 3HB ALA 43 HB1 ALA 43 -3.553 1.750 1.203
333 H VAL 44 HN VAL 44 -1.320 4.904 2.794
334 HA VAL 44 HA VAL 44 0.814 5.673 0.835
335 HB VAL 44 HB VAL 44 -0.572 7.395 2.145
336 1HG1 VAL 44 HG12 VAL 44 -0.235 5.888 4.283
337 2HG1 VAL 44 HG11 VAL 44 1.268 6.798 4.433
338 3HG1 VAL 44 HG13 VAL 44 -0.278 7.645 4.437
339 1HG2 VAL 44 HG23 VAL 44 2.431 7.239 2.125
340 2HG2 VAL 44 HG22 VAL 44 1.366 8.260 1.158
341 3HG2 VAL 44 HG21 VAL 44 1.627 8.624 2.864
342 H VAL 45 HN VAL 45 2.413 4.174 0.938
343 HA VAL 45 HA VAL 45 3.114 3.056 3.626
344 HB VAL 45 HB VAL 45 2.146 1.683 1.662
345 1HG1 VAL 45 HG13 VAL 45 4.027 2.857 0.172
346 2HG1 VAL 45 HG12 VAL 45 4.959 1.461 0.711
347 3HG1 VAL 45 HG11 VAL 45 3.453 1.225 -0.177
348 1HG2 VAL 45 HG21 VAL 45 4.086 1.118 3.679
349 2HG2 VAL 45 HG23 VAL 45 2.922 0.008 2.959
350 3HG2 VAL 45 HG22 VAL 45 4.521 0.194 2.242
351 H THR 46 HN THR 46 5.224 3.007 4.261
352 HA THR 46 HA THR 46 7.233 4.429 2.552
353 HB THR 46 HB THR 46 6.641 4.207 5.490
354 HG1 THR 46 HG1 THR 46 6.037 6.028 4.214
355 1HG2 THR 46 HG21 THR 46 9.332 4.209 4.268
356 2HG2 THR 46 HG23 THR 46 9.081 5.425 5.521
357 3HG2 THR 46 HG22 THR 46 8.830 3.718 5.886
358 H PHE 47 HN PHE 47 9.327 3.311 2.370
359 HA PHE 47 HA PHE 47 9.709 0.784 3.727
360 1HB PHE 47 HB2 PHE 47 9.253 -0.678 1.859
361 2HB PHE 47 HB1 PHE 47 7.841 0.353 2.093
362 HD1 PHE 47 HD2 PHE 47 10.971 -0.038 0.054
363 HD2 PHE 47 HD1 PHE 47 7.116 1.849 0.423
364 HE1 PHE 47 HE2 PHE 47 11.166 0.813 -2.255
365 HE2 PHE 47 HE1 PHE 47 7.314 2.691 -1.900
366 HZ PHE 47 HZ PHE 47 9.329 2.173 -3.238
367 H ASP 48 HN ASP 48 11.453 -0.512 2.684
368 HA ASP 48 HA ASP 48 13.525 1.337 1.600
369 1HB ASP 48 HB2 ASP 48 15.025 -0.619 2.432
370 2HB ASP 48 HB1 ASP 48 14.255 0.384 3.660
371 H ASP 49 HN ASP 49 13.806 1.081 -0.565
372 HA ASP 49 HA ASP 49 12.545 -0.926 -2.105
373 1HB ASP 49 HB2 ASP 49 13.714 0.065 -3.912
374 2HB ASP 49 HB1 ASP 49 13.553 1.361 -2.727
375 H THR 50 HN THR 50 15.308 -1.231 -0.140
376 HA THR 50 HA THR 50 16.830 -3.149 -1.654
377 HB THR 50 HB THR 50 17.700 -1.828 0.226
378 HG1 THR 50 HG1 THR 50 18.977 -3.421 0.644
379 1HG2 THR 50 HG21 THR 50 15.304 -2.375 1.430
380 2HG2 THR 50 HG23 THR 50 16.384 -3.471 2.291
381 3HG2 THR 50 HG22 THR 50 16.717 -1.739 2.272
382 H LYS 51 HN LYS 51 13.990 -3.449 0.421
383 HA LYS 51 HA LYS 51 14.123 -6.431 0.063
384 1HB LYS 51 HB2 LYS 51 13.430 -4.618 2.328
385 2HB LYS 51 HB1 LYS 51 12.508 -6.114 2.187
386 1HG LYS 51 HG2 LYS 51 14.785 -7.291 1.940
387 2HG LYS 51 HG1 LYS 51 15.488 -5.787 2.537
388 1HD LYS 51 HD2 LYS 51 14.963 -6.356 4.647
389 2HD LYS 51 HD1 LYS 51 13.260 -6.478 4.204
390 1HE LYS 51 HE2 LYS 51 13.665 -8.803 3.382
391 2HE LYS 51 HE1 LYS 51 15.342 -8.678 3.949
392 1HZ LYS 51 HZ3 LYS 51 13.999 -7.774 6.074
393 2HZ LYS 51 HZ2 LYS 51 12.890 -8.916 5.481
394 3HZ LYS 51 HZ1 LYS 51 14.471 -9.392 5.883
395 H ALA 52 HN ALA 52 12.544 -3.714 -0.998
396 HA ALA 52 HA ALA 52 10.326 -5.215 -2.126
397 1HB ALA 52 HB2 ALA 52 10.127 -4.159 0.533
398 2HB ALA 52 HB1 ALA 52 9.019 -3.266 -0.509
399 3HB ALA 52 HB3 ALA 52 8.898 -5.021 -0.392
400 H SER 53 HN SER 53 8.531 -3.099 -2.447
401 HA SER 53 HA SER 53 9.542 -0.567 -3.145
402 1HB SER 53 HB2 SER 53 10.934 -1.038 -4.864
403 2HB SER 53 HB1 SER 53 10.494 -2.741 -4.789
404 HG SER 53 HG SER 53 9.608 -2.296 -6.654
405 H VAL 54 HN VAL 54 8.099 0.546 -4.791
406 HA VAL 54 HA VAL 54 5.398 0.374 -4.317
407 HB VAL 54 HB VAL 54 7.072 1.140 -6.692
408 1HG1 VAL 54 HG12 VAL 54 4.063 0.935 -6.611
409 2HG1 VAL 54 HG11 VAL 54 4.865 2.141 -7.617
410 3HG1 VAL 54 HG13 VAL 54 5.166 0.425 -7.888
411 1HG2 VAL 54 HG23 VAL 54 5.394 2.503 -4.595
412 2HG2 VAL 54 HG22 VAL 54 7.092 2.764 -4.993
413 3HG2 VAL 54 HG21 VAL 54 5.832 3.352 -6.078
414 H GLN 55 HN GLN 55 7.192 -1.526 -6.763
415 HA GLN 55 HA GLN 55 5.054 -2.863 -8.007
416 1HB GLN 55 HB2 GLN 55 7.578 -2.938 -8.444
417 2HB GLN 55 HB1 GLN 55 7.667 -4.136 -7.152
418 1HG GLN 55 HG2 GLN 55 7.452 -5.437 -9.114
419 2HG GLN 55 HG1 GLN 55 5.816 -5.389 -8.458
420 1HE2 GLN 55 HE22 GLN 55 6.542 -2.868 -11.634
421 2HE2 GLN 55 HE21 GLN 55 7.732 -3.048 -10.436
422 H LYS 56 HN LYS 56 6.840 -3.850 -5.072
423 HA LYS 56 HA LYS 56 5.102 -6.097 -4.520
424 1HB LYS 56 HB2 LYS 56 7.600 -5.348 -3.824
425 2HB LYS 56 HB1 LYS 56 6.732 -4.827 -2.379
426 1HG LYS 56 HG2 LYS 56 7.271 -7.056 -1.872
427 2HG LYS 56 HG1 LYS 56 5.624 -7.189 -2.490
428 1HD LYS 56 HD2 LYS 56 6.419 -8.673 -3.986
429 2HD LYS 56 HD1 LYS 56 7.223 -7.314 -4.774
430 1HE LYS 56 HE2 LYS 56 8.554 -8.592 -2.400
431 2HE LYS 56 HE1 LYS 56 8.663 -9.385 -3.984
432 1HZ LYS 56 HZ2 LYS 56 9.267 -6.519 -3.479
433 2HZ LYS 56 HZ1 LYS 56 10.441 -7.735 -3.646
434 3HZ LYS 56 HZ3 LYS 56 9.439 -7.341 -4.956
435 H LEU 57 HN LEU 57 4.927 -2.662 -3.684
436 HA LEU 57 HA LEU 57 3.190 -3.058 -1.386
437 1HB LEU 57 HB2 LEU 57 3.479 -0.674 -3.249
438 2HB LEU 57 HB1 LEU 57 2.827 -0.643 -1.613
439 HG LEU 57 HG LEU 57 5.663 -1.479 -2.281
440 1HD1 LEU 57 HD12 LEU 57 4.392 1.142 -2.008
441 2HD1 LEU 57 HD11 LEU 57 5.720 0.911 -0.873
442 3HD1 LEU 57 HD13 LEU 57 6.002 0.735 -2.602
443 1HD2 LEU 57 HD23 LEU 57 4.504 -2.277 -0.115
444 2HD2 LEU 57 HD22 LEU 57 6.036 -1.423 0.074
445 3HD2 LEU 57 HD21 LEU 57 4.516 -0.581 0.371
446 H THR 58 HN THR 58 2.528 -1.771 -4.649
447 HA THR 58 HA THR 58 -0.298 -1.992 -4.572
448 HB THR 58 HB THR 58 1.698 -2.240 -6.851
449 HG1 THR 58 HG1 THR 58 0.744 0.059 -6.974
450 1HG2 THR 58 HG23 THR 58 -1.255 -1.555 -6.885
451 2HG2 THR 58 HG22 THR 58 -0.175 -1.502 -8.278
452 3HG2 THR 58 HG21 THR 58 -0.535 -3.043 -7.500
453 H LYS 59 HN LYS 59 2.233 -4.364 -5.058
454 HA LYS 59 HA LYS 59 0.580 -6.421 -6.199
455 1HB LYS 59 HB2 LYS 59 2.988 -6.399 -6.485
456 2HB LYS 59 HB1 LYS 59 3.233 -6.378 -4.738
457 1HG LYS 59 HG2 LYS 59 2.790 -8.614 -4.509
458 2HG LYS 59 HG1 LYS 59 1.599 -8.616 -5.811
459 1HD LYS 59 HD2 LYS 59 4.507 -8.182 -6.439
460 2HD LYS 59 HD1 LYS 59 3.893 -9.817 -6.193
461 1HE LYS 59 HE2 LYS 59 1.995 -8.981 -7.878
462 2HE LYS 59 HE1 LYS 59 3.292 -7.886 -8.398
463 1HZ LYS 59 HZ3 LYS 59 3.923 -10.710 -7.898
464 2HZ LYS 59 HZ2 LYS 59 3.160 -10.296 -9.358
465 3HZ LYS 59 HZ1 LYS 59 4.665 -9.616 -8.959
466 H ALA 60 HN ALA 60 1.549 -5.479 -2.921
467 HA ALA 60 HA ALA 60 0.500 -7.764 -1.572
468 1HB ALA 60 HB1 ALA 60 2.112 -5.879 -0.822
469 2HB ALA 60 HB3 ALA 60 0.650 -4.953 -0.482
470 3HB ALA 60 HB2 ALA 60 0.952 -6.469 0.368
471 H THR 61 HN THR 61 -0.919 -4.609 -2.420
472 HA THR 61 HA THR 61 -3.466 -5.170 -1.137
473 HB THR 61 HB THR 61 -2.585 -2.890 -1.567
474 HG1 THR 61 HG1 THR 61 -4.803 -3.168 -3.260
475 1HG2 THR 61 HG23 THR 61 -2.818 -3.792 -4.443
476 2HG2 THR 61 HG22 THR 61 -2.695 -2.095 -3.980
477 3HG2 THR 61 HG21 THR 61 -1.380 -3.207 -3.607
478 H ALA 62 HN ALA 62 -1.999 -5.666 -4.232
479 HA ALA 62 HA ALA 62 -4.350 -6.295 -5.753
480 1HB ALA 62 HB3 ALA 62 -1.445 -6.350 -5.975
481 2HB ALA 62 HB2 ALA 62 -2.173 -7.750 -6.764
482 3HB ALA 62 HB1 ALA 62 -2.649 -6.120 -7.244
483 H ASP 63 HN ASP 63 -2.229 -8.130 -3.599
484 HA ASP 63 HA ASP 63 -3.626 -10.666 -4.223
485 1HB ASP 63 HB2 ASP 63 -1.250 -10.790 -3.921
486 2HB ASP 63 HB1 ASP 63 -1.319 -9.814 -2.453
487 H ALA 64 HN ALA 64 -3.950 -8.015 -2.099
488 HA ALA 64 HA ALA 64 -5.109 -9.461 0.163
489 1HB ALA 64 HB2 ALA 64 -4.229 -6.818 -0.547
490 2HB ALA 64 HB1 ALA 64 -5.889 -6.712 0.039
491 3HB ALA 64 HB3 ALA 64 -4.640 -7.431 1.056
492 H GLY 65 HN GLY 65 -6.172 -8.023 -2.837
493 1HA GLY 65 HA2 GLY 65 -8.352 -9.196 -3.592
494 2HA GLY 65 HA1 GLY 65 -9.004 -8.562 -2.085
495 H TYR 66 HN TYR 66 -6.722 -6.641 -3.957
496 HA TYR 66 HA TYR 66 -8.973 -5.068 -5.116
497 1HB TYR 66 HB2 TYR 66 -6.801 -3.852 -3.402
498 2HB TYR 66 HB1 TYR 66 -8.232 -3.049 -4.036
499 HD1 TYR 66 HD1 TYR 66 -10.519 -4.194 -3.357
500 HD2 TYR 66 HD2 TYR 66 -6.803 -4.587 -1.271
501 HE1 TYR 66 HE1 TYR 66 -11.748 -4.747 -1.287
502 HE2 TYR 66 HE2 TYR 66 -8.013 -5.132 0.800
503 HH TYR 66 HH TYR 66 -11.447 -5.764 0.820
504 HA PRO 67 HA PRO 67 -5.660 -5.155 -8.257
505 1HB PRO 67 HB2 PRO 67 -7.569 -3.754 -9.928
506 2HB PRO 67 HB1 PRO 67 -6.990 -5.414 -10.100
507 1HG PRO 67 HG2 PRO 67 -9.581 -4.565 -9.256
508 2HG PRO 67 HG1 PRO 67 -8.964 -6.219 -9.333
509 1HD PRO 67 HD2 PRO 67 -9.512 -4.631 -6.975
510 2HD PRO 67 HD1 PRO 67 -8.924 -6.311 -7.055
511 H SER 68 HN SER 68 -4.411 -3.528 -7.125
512 HA SER 68 HA SER 68 -5.410 -0.724 -7.334
513 1HB SER 68 HB2 SER 68 -4.855 -0.788 -5.152
514 2HB SER 68 HB1 SER 68 -4.132 -2.379 -5.349
515 HG SER 68 HG SER 68 -2.943 0.011 -5.055
516 H SER 69 HN SER 69 -3.159 0.710 -7.017
517 HA SER 69 HA SER 69 -1.107 -0.049 -8.996
518 1HB SER 69 HB2 SER 69 -1.832 1.409 -10.601
519 2HB SER 69 HB1 SER 69 -3.377 1.333 -9.761
520 HG SER 69 HG SER 69 -2.363 3.485 -10.124
521 H VAL 70 HN VAL 70 0.017 2.536 -9.138
522 HA VAL 70 HA VAL 70 0.415 3.288 -6.288
523 HB VAL 70 HB VAL 70 1.956 1.517 -7.367
524 1HG1 VAL 70 HG11 VAL 70 2.226 3.291 -9.362
525 2HG1 VAL 70 HG13 VAL 70 3.567 3.832 -8.351
526 3HG1 VAL 70 HG12 VAL 70 3.518 2.169 -8.934
527 1HG2 VAL 70 HG23 VAL 70 2.447 3.700 -5.526
528 2HG2 VAL 70 HG22 VAL 70 3.056 2.046 -5.466
529 3HG2 VAL 70 HG21 VAL 70 3.934 3.277 -6.373
530 H LYS 71 HN LYS 71 1.429 5.419 -6.029
531 HA LYS 71 HA LYS 71 1.171 7.119 -8.495
532 1HB LYS 71 HB2 LYS 71 0.647 8.160 -5.728
533 2HB LYS 71 HB1 LYS 71 -0.041 8.700 -7.259
534 1HG LYS 71 HG2 LYS 71 -1.353 6.633 -7.417
535 2HG LYS 71 HG1 LYS 71 -0.642 6.056 -5.909
536 1HD LYS 71 HD2 LYS 71 -2.175 7.184 -4.723
537 2HD LYS 71 HD1 LYS 71 -1.671 8.694 -5.481
538 1HE LYS 71 HE2 LYS 71 -3.116 7.690 -7.521
539 2HE LYS 71 HE1 LYS 71 -3.964 6.914 -6.170
540 1HZ LYS 71 HZ1 LYS 71 -4.071 9.079 -5.065
541 2HZ LYS 71 HZ3 LYS 71 -3.337 9.810 -6.408
542 3HZ LYS 71 HZ2 LYS 71 -4.877 9.108 -6.561
543 H GLN 72 HN GLN 72 3.391 5.768 -7.136
544 HA GLN 72 HA GLN 72 5.640 6.219 -6.506
545 1HB GLN 72 HB2 GLN 72 4.807 8.561 -8.236
546 2HB GLN 72 HB1 GLN 72 6.473 8.319 -7.708
547 1HG GLN 72 HG2 GLN 72 4.923 6.125 -9.086
548 2HG GLN 72 HG1 GLN 72 5.819 7.338 -10.003
549 1HE2 GLN 72 HE22 GLN 72 9.022 6.074 -9.052
550 2HE2 GLN 72 HE21 GLN 72 8.200 7.431 -9.655
No H/Q in entry = 550
Start of MODEL 14
1 1H ALA 1 HT3 ALA 1 16.355 1.564 -0.370
2 2H ALA 1 HT2 ALA 1 16.753 1.912 -1.985
3 3H ALA 1 HT1 ALA 1 17.890 2.176 -0.750
4 HA ALA 1 HA ALA 1 17.174 4.259 -0.522
5 1HB ALA 1 HB2 ALA 1 16.569 3.819 -2.942
6 2HB ALA 1 HB1 ALA 1 14.928 3.462 -2.401
7 3HB ALA 1 HB3 ALA 1 15.601 5.076 -2.172
8 H THR 2 HN THR 2 14.764 5.477 -0.231
9 HA THR 2 HA THR 2 13.059 3.901 1.579
10 HB THR 2 HB THR 2 13.436 6.344 2.839
11 HG1 THR 2 HG1 THR 2 15.267 6.991 2.011
12 1HG2 THR 2 HG23 THR 2 13.263 4.024 3.808
13 2HG2 THR 2 HG22 THR 2 14.971 3.810 3.426
14 3HG2 THR 2 HG21 THR 2 14.475 5.048 4.580
15 H GLN 3 HN GLN 3 11.535 4.208 -0.150
16 HA GLN 3 HA GLN 3 10.799 7.053 -0.751
17 1HB GLN 3 HB2 GLN 3 11.063 4.582 -2.231
18 2HB GLN 3 HB1 GLN 3 9.465 5.285 -2.481
19 1HG GLN 3 HG2 GLN 3 10.433 6.681 -3.966
20 2HG GLN 3 HG1 GLN 3 11.194 7.474 -2.586
21 1HE2 GLN 3 HE22 GLN 3 13.412 4.713 -4.691
22 2HE2 GLN 3 HE21 GLN 3 11.722 4.555 -4.654
23 H THR 4 HN THR 4 8.494 7.539 -1.060
24 HA THR 4 HA THR 4 6.629 5.851 0.568
25 HB THR 4 HB THR 4 7.366 7.616 2.014
26 HG1 THR 4 HG1 THR 4 5.172 7.500 2.100
27 1HG2 THR 4 HG23 THR 4 6.944 9.446 -0.363
28 2HG2 THR 4 HG22 THR 4 7.353 9.994 1.263
29 3HG2 THR 4 HG21 THR 4 8.491 9.000 0.355
30 H VAL 5 HN VAL 5 5.125 5.231 -0.968
31 HA VAL 5 HA VAL 5 4.112 7.278 -2.913
32 HB VAL 5 HB VAL 5 3.738 5.177 -4.269
33 1HG1 VAL 5 HG13 VAL 5 5.875 6.773 -4.177
34 2HG1 VAL 5 HG12 VAL 5 6.643 5.289 -3.612
35 3HG1 VAL 5 HG11 VAL 5 5.853 5.328 -5.189
36 1HG2 VAL 5 HG23 VAL 5 4.199 3.908 -1.883
37 2HG2 VAL 5 HG22 VAL 5 4.264 3.127 -3.462
38 3HG2 VAL 5 HG21 VAL 5 5.745 3.715 -2.708
39 H THR 6 HN THR 6 1.827 6.796 -3.568
40 HA THR 6 HA THR 6 0.285 5.662 -1.272
41 HB THR 6 HB THR 6 -0.345 7.935 -1.654
42 HG1 THR 6 HG1 THR 6 -2.211 6.721 -3.328
43 1HG2 THR 6 HG23 THR 6 0.222 7.194 -4.450
44 2HG2 THR 6 HG22 THR 6 -1.145 8.288 -4.234
45 3HG2 THR 6 HG21 THR 6 0.450 8.737 -3.627
46 H LEU 7 HN LEU 7 -1.728 4.492 -2.061
47 HA LEU 7 HA LEU 7 -1.194 3.155 -4.675
48 1HB LEU 7 HB2 LEU 7 -1.186 2.174 -1.922
49 2HB LEU 7 HB1 LEU 7 -2.289 1.255 -2.946
50 HG LEU 7 HG LEU 7 -0.575 0.629 -4.428
51 1HD1 LEU 7 HD12 LEU 7 0.987 2.883 -3.204
52 2HD1 LEU 7 HD11 LEU 7 1.774 1.613 -4.140
53 3HD1 LEU 7 HD13 LEU 7 0.564 2.640 -4.891
54 1HD2 LEU 7 HD21 LEU 7 -0.395 -0.341 -2.053
55 2HD2 LEU 7 HD23 LEU 7 1.034 -0.479 -3.074
56 3HD2 LEU 7 HD22 LEU 7 0.957 0.771 -1.839
57 H ALA 8 HN ALA 8 -3.121 2.126 -5.564
58 HA ALA 8 HA ALA 8 -5.614 3.602 -4.773
59 1HB ALA 8 HB1 ALA 8 -4.217 3.192 -7.201
60 2HB ALA 8 HB3 ALA 8 -5.708 2.260 -7.331
61 3HB ALA 8 HB2 ALA 8 -5.775 3.990 -6.993
62 H VAL 9 HN VAL 9 -6.742 2.220 -3.375
63 HA VAL 9 HA VAL 9 -7.086 -0.633 -4.265
64 HB VAL 9 HB VAL 9 -5.935 -0.522 -2.158
65 1HG1 VAL 9 HG11 VAL 9 -7.828 1.738 -1.689
66 2HG1 VAL 9 HG13 VAL 9 -7.320 0.804 -0.282
67 3HG1 VAL 9 HG12 VAL 9 -6.115 1.607 -1.289
68 1HG2 VAL 9 HG22 VAL 9 -8.536 -1.604 -2.379
69 2HG2 VAL 9 HG21 VAL 9 -7.288 -2.069 -1.223
70 3HG2 VAL 9 HG23 VAL 9 -8.471 -0.834 -0.794
71 HA PRO 10 HA PRO 10 -11.204 1.415 -4.598
72 1HB PRO 10 HB2 PRO 10 -11.803 -0.038 -6.916
73 2HB PRO 10 HB1 PRO 10 -11.160 1.606 -6.859
74 1HG PRO 10 HG2 PRO 10 -9.823 -0.849 -7.685
75 2HG PRO 10 HG1 PRO 10 -9.285 0.822 -7.872
76 1HD PRO 10 HD2 PRO 10 -8.324 -1.137 -5.986
77 2HD PRO 10 HD1 PRO 10 -7.808 0.559 -6.154
78 H GLY 11 HN GLY 11 -10.546 -1.058 -2.956
79 1HA GLY 11 HA2 GLY 11 -12.552 -3.028 -3.778
80 2HA GLY 11 HA1 GLY 11 -11.633 -3.055 -2.270
81 H MET 12 HN MET 12 -12.292 -0.262 -1.650
82 HA MET 12 HA MET 12 -13.876 0.709 -0.147
83 1HB MET 12 HB2 MET 12 -14.603 0.599 -2.906
84 2HB MET 12 HB1 MET 12 -16.081 0.394 -1.968
85 1HG MET 12 HG2 MET 12 -15.853 2.470 -0.908
86 2HG MET 12 HG1 MET 12 -14.121 2.551 -1.226
87 1HE MET 12 HE3 MET 12 -17.474 1.993 -3.170
88 2HE MET 12 HE2 MET 12 -16.987 2.469 -4.795
89 3HE MET 12 HE1 MET 12 -16.197 1.104 -4.010
90 H THR 13 HN THR 13 -13.585 -2.057 0.420
91 HA THR 13 HA THR 13 -15.852 -3.672 0.462
92 HB THR 13 HB THR 13 -13.462 -3.934 1.468
93 HG1 THR 13 HG1 THR 13 -14.207 -5.592 2.683
94 1HG2 THR 13 HG21 THR 13 -14.198 -1.908 3.082
95 2HG2 THR 13 HG23 THR 13 -14.653 -3.275 4.097
96 3HG2 THR 13 HG22 THR 13 -12.991 -3.108 3.532
97 H CYS 14 HN CYS 14 -15.220 -0.687 2.151
98 HA CYS 14 HA CYS 14 -17.583 0.469 2.596
99 1HB CYS 14 HB2 CYS 14 -18.672 -1.544 3.331
100 2HB CYS 14 HB1 CYS 14 -17.363 -1.918 4.452
101 HG CYS 14 HG CYS 14 -19.037 0.659 4.965
102 H ALA 15 HN ALA 15 -15.046 -0.931 4.584
103 HA ALA 15 HA ALA 15 -13.919 1.602 5.381
104 1HB ALA 15 HB3 ALA 15 -16.251 1.198 6.614
105 2HB ALA 15 HB2 ALA 15 -15.248 0.210 7.676
106 3HB ALA 15 HB1 ALA 15 -14.891 1.925 7.468
107 H ALA 16 HN ALA 16 -13.221 -1.152 4.481
108 HA ALA 16 HA ALA 16 -11.301 -1.861 6.665
109 1HB ALA 16 HB3 ALA 16 -13.463 -3.350 5.531
110 2HB ALA 16 HB2 ALA 16 -11.959 -4.127 5.040
111 3HB ALA 16 HB1 ALA 16 -12.307 -3.880 6.751
112 H CYS 17 HN CYS 17 -11.926 -1.478 3.216
113 HA CYS 17 HA CYS 17 -9.771 -2.659 1.945
114 1HB CYS 17 HB2 CYS 17 -11.494 -0.338 1.609
115 2HB CYS 17 HB1 CYS 17 -9.917 -0.115 0.847
116 HG CYS 17 HG CYS 17 -10.727 -1.614 -0.939
117 HA PRO 18 HA PRO 18 -6.864 1.001 3.111
118 1HB PRO 18 HB2 PRO 18 -7.862 2.565 5.238
119 2HB PRO 18 HB1 PRO 18 -7.836 2.996 3.526
120 1HG PRO 18 HG2 PRO 18 -10.122 2.375 5.168
121 2HG PRO 18 HG1 PRO 18 -10.095 2.874 3.474
122 1HD PRO 18 HD2 PRO 18 -10.579 0.223 4.577
123 2HD PRO 18 HD1 PRO 18 -10.720 0.760 2.890
124 H ILE 19 HN ILE 19 -8.509 -0.786 5.644
125 HA ILE 19 HA ILE 19 -6.295 -0.440 7.574
126 HB ILE 19 HB ILE 19 -8.940 -1.897 7.468
127 1HG1 ILE 19 HG12 ILE 19 -8.718 0.588 8.000
128 2HG1 ILE 19 HG11 ILE 19 -9.543 -0.377 9.223
129 1HG2 ILE 19 HG21 ILE 19 -6.598 -2.463 9.184
130 2HG2 ILE 19 HG23 ILE 19 -8.116 -2.236 10.051
131 3HG2 ILE 19 HG22 ILE 19 -7.989 -3.479 8.807
132 1HD1 ILE 19 HD11 ILE 19 -6.673 -0.365 9.668
133 2HD1 ILE 19 HD13 ILE 19 -7.318 1.276 9.631
134 3HD1 ILE 19 HD12 ILE 19 -7.972 0.097 10.767
135 H THR 20 HN THR 20 -7.679 -2.978 5.539
136 HA THR 20 HA THR 20 -5.818 -5.053 6.257
137 HB THR 20 HB THR 20 -7.982 -4.436 4.322
138 HG1 THR 20 HG1 THR 20 -8.435 -5.619 6.137
139 1HG2 THR 20 HG21 THR 20 -6.166 -5.191 2.812
140 2HG2 THR 20 HG23 THR 20 -6.026 -6.672 3.758
141 3HG2 THR 20 HG22 THR 20 -7.510 -6.332 2.868
142 H VAL 21 HN VAL 21 -6.021 -2.555 3.755
143 HA VAL 21 HA VAL 21 -3.781 -3.386 2.200
144 HB VAL 21 HB VAL 21 -5.246 -0.793 2.719
145 1HG1 VAL 21 HG13 VAL 21 -2.840 -1.309 0.983
146 2HG1 VAL 21 HG12 VAL 21 -3.998 -0.046 0.577
147 3HG1 VAL 21 HG11 VAL 21 -3.119 0.022 2.104
148 1HG2 VAL 21 HG23 VAL 21 -6.091 -2.903 1.352
149 2HG2 VAL 21 HG22 VAL 21 -6.392 -1.270 0.757
150 3HG2 VAL 21 HG21 VAL 21 -5.065 -2.219 0.095
151 H LYS 22 HN LYS 22 -4.159 -1.089 4.886
152 HA LYS 22 HA LYS 22 -1.550 -0.081 5.104
153 1HB LYS 22 HB2 LYS 22 -3.525 0.604 6.432
154 2HB LYS 22 HB1 LYS 22 -3.467 -0.930 7.301
155 1HG LYS 22 HG2 LYS 22 -1.194 -0.378 8.110
156 2HG LYS 22 HG1 LYS 22 -1.279 1.170 7.268
157 1HD LYS 22 HD2 LYS 22 -3.465 1.539 8.623
158 2HD LYS 22 HD1 LYS 22 -2.863 0.240 9.656
159 1HE LYS 22 HE2 LYS 22 -0.704 1.535 9.897
160 2HE LYS 22 HE1 LYS 22 -1.497 2.884 9.059
161 1HZ LYS 22 HZ1 LYS 22 -3.352 2.605 10.707
162 2HZ LYS 22 HZ3 LYS 22 -2.328 1.582 11.592
163 3HZ LYS 22 HZ2 LYS 22 -1.901 3.209 11.351
164 H LYS 23 HN LYS 23 -2.843 -3.106 6.526
165 HA LYS 23 HA LYS 23 -0.277 -3.845 7.669
166 1HB LYS 23 HB2 LYS 23 -2.977 -5.086 7.270
167 2HB LYS 23 HB1 LYS 23 -1.636 -6.098 7.808
168 1HG LYS 23 HG2 LYS 23 -1.260 -4.679 9.738
169 2HG LYS 23 HG1 LYS 23 -2.455 -3.514 9.166
170 1HD LYS 23 HD2 LYS 23 -3.485 -6.261 9.367
171 2HD LYS 23 HD1 LYS 23 -2.983 -5.577 10.913
172 1HE LYS 23 HE2 LYS 23 -4.356 -3.476 9.699
173 2HE LYS 23 HE1 LYS 23 -5.315 -4.911 9.283
174 1HZ LYS 23 HZ3 LYS 23 -4.900 -5.573 11.710
175 2HZ LYS 23 HZ2 LYS 23 -4.514 -3.937 11.955
176 3HZ LYS 23 HZ1 LYS 23 -6.061 -4.374 11.404
177 H ALA 24 HN ALA 24 -1.733 -4.251 4.560
178 HA ALA 24 HA ALA 24 -0.323 -6.590 3.702
179 1HB ALA 24 HB1 ALA 24 -2.411 -5.169 2.818
180 2HB ALA 24 HB3 ALA 24 -1.161 -4.450 1.803
181 3HB ALA 24 HB2 ALA 24 -1.462 -6.186 1.735
182 H LEU 25 HN LEU 25 0.206 -3.122 3.012
183 HA LEU 25 HA LEU 25 2.727 -3.555 1.667
184 1HB LEU 25 HB2 LEU 25 1.453 -1.136 2.976
185 2HB LEU 25 HB1 LEU 25 2.779 -1.089 1.809
186 HG LEU 25 HG LEU 25 1.000 -2.663 0.489
187 1HD1 LEU 25 HD12 LEU 25 -0.485 -1.154 2.503
188 2HD1 LEU 25 HD11 LEU 25 -1.063 -0.898 0.858
189 3HD1 LEU 25 HD13 LEU 25 -0.992 -2.530 1.520
190 1HD2 LEU 25 HD22 LEU 25 1.983 0.037 0.395
191 2HD2 LEU 25 HD21 LEU 25 1.502 -1.014 -0.937
192 3HD2 LEU 25 HD23 LEU 25 0.302 0.000 -0.141
193 H SER 26 HN SER 26 1.754 -2.904 4.982
194 HA SER 26 HA SER 26 4.373 -2.206 5.996
195 1HB SER 26 HB2 SER 26 2.075 -1.818 7.034
196 2HB SER 26 HB1 SER 26 2.039 -3.534 7.424
197 HG SER 26 HG SER 26 4.193 -1.852 8.157
198 H LYS 27 HN LYS 27 2.764 -5.193 5.146
199 HA LYS 27 HA LYS 27 4.983 -6.722 6.414
200 1HB LYS 27 HB2 LYS 27 3.409 -8.596 6.409
201 2HB LYS 27 HB1 LYS 27 2.634 -7.188 7.134
202 1HG LYS 27 HG2 LYS 27 1.002 -7.985 5.637
203 2HG LYS 27 HG1 LYS 27 1.787 -6.697 4.729
204 1HD LYS 27 HD2 LYS 27 2.767 -8.132 3.256
205 2HD LYS 27 HD1 LYS 27 3.010 -9.380 4.479
206 1HE LYS 27 HE2 LYS 27 0.531 -9.836 4.421
207 2HE LYS 27 HE1 LYS 27 0.412 -8.714 3.051
208 1HZ LYS 27 HZ3 LYS 27 2.322 -10.983 3.134
209 2HZ LYS 27 HZ2 LYS 27 0.783 -11.096 2.424
210 3HZ LYS 27 HZ1 LYS 27 1.931 -10.010 1.801
211 H VAL 28 HN VAL 28 4.185 -5.433 3.487
212 HA VAL 28 HA VAL 28 4.318 -7.450 1.555
213 HB VAL 28 HB VAL 28 3.973 -5.085 1.059
214 1HG1 VAL 28 HG13 VAL 28 5.858 -4.501 2.844
215 2HG1 VAL 28 HG12 VAL 28 6.879 -4.479 1.408
216 3HG1 VAL 28 HG11 VAL 28 5.488 -3.400 1.518
217 1HG2 VAL 28 HG22 VAL 28 6.404 -6.366 -0.198
218 2HG2 VAL 28 HG21 VAL 28 4.763 -6.280 -0.838
219 3HG2 VAL 28 HG23 VAL 28 5.762 -4.828 -0.773
220 H GLU 29 HN GLU 29 7.160 -5.782 3.024
221 HA GLU 29 HA GLU 29 8.751 -8.091 3.328
222 1HB GLU 29 HB2 GLU 29 8.435 -7.081 0.597
223 2HB GLU 29 HB1 GLU 29 10.126 -7.219 1.079
224 1HG GLU 29 HG2 GLU 29 8.520 -9.507 1.937
225 2HG GLU 29 HG1 GLU 29 8.528 -9.301 0.186
226 H GLY 30 HN GLY 30 9.808 -5.180 1.556
227 1HA GLY 30 HA2 GLY 30 11.671 -4.597 3.781
228 2HA GLY 30 HA1 GLY 30 11.732 -3.878 2.173
229 H VAL 31 HN VAL 31 8.558 -3.722 3.016
230 HA VAL 31 HA VAL 31 8.283 -0.963 3.193
231 HB VAL 31 HB VAL 31 6.419 -2.535 3.077
232 1HG1 VAL 31 HG13 VAL 31 7.720 -4.018 4.891
233 2HG1 VAL 31 HG12 VAL 31 6.632 -3.165 5.985
234 3HG1 VAL 31 HG11 VAL 31 5.974 -4.142 4.672
235 1HG2 VAL 31 HG23 VAL 31 6.258 -0.201 4.235
236 2HG2 VAL 31 HG22 VAL 31 4.917 -1.326 4.434
237 3HG2 VAL 31 HG21 VAL 31 6.101 -1.130 5.725
238 H SER 32 HN SER 32 8.506 0.557 4.699
239 HA SER 32 HA SER 32 9.627 -0.225 7.362
240 1HB SER 32 HB2 SER 32 11.237 0.900 5.872
241 2HB SER 32 HB1 SER 32 10.101 2.222 5.628
242 HG SER 32 HG SER 32 10.197 2.349 8.049
243 H LYS 33 HN LYS 33 7.113 1.312 5.651
244 HA LYS 33 HA LYS 33 5.789 2.073 8.166
245 1HB LYS 33 HB2 LYS 33 6.662 4.166 8.128
246 2HB LYS 33 HB1 LYS 33 7.323 3.931 6.515
247 1HG LYS 33 HG2 LYS 33 5.209 4.539 5.495
248 2HG LYS 33 HG1 LYS 33 4.414 4.581 7.068
249 1HD LYS 33 HD2 LYS 33 5.921 6.427 7.761
250 2HD LYS 33 HD1 LYS 33 6.653 6.410 6.155
251 1HE LYS 33 HE2 LYS 33 4.269 6.756 5.241
252 2HE LYS 33 HE1 LYS 33 3.825 7.176 6.907
253 1HZ LYS 33 HZ1 LYS 33 5.750 8.722 6.910
254 2HZ LYS 33 HZ3 LYS 33 5.947 8.430 5.251
255 3HZ LYS 33 HZ2 LYS 33 4.525 9.167 5.819
256 H VAL 34 HN VAL 34 3.518 2.909 7.663
257 HA VAL 34 HA VAL 34 2.499 2.455 4.941
258 HB VAL 34 HB VAL 34 2.830 0.195 5.824
259 1HG1 VAL 34 HG12 VAL 34 2.099 1.412 8.255
260 2HG1 VAL 34 HG11 VAL 34 0.808 0.265 7.899
261 3HG1 VAL 34 HG13 VAL 34 2.479 -0.290 7.998
262 1HG2 VAL 34 HG21 VAL 34 0.425 1.262 4.840
263 2HG2 VAL 34 HG23 VAL 34 0.896 -0.436 4.844
264 3HG2 VAL 34 HG22 VAL 34 -0.053 0.219 6.178
265 H ASP 35 HN ASP 35 0.260 3.101 4.727
266 HA ASP 35 HA ASP 35 -1.308 3.892 7.066
267 1HB ASP 35 HB2 ASP 35 0.519 5.742 5.737
268 2HB ASP 35 HB1 ASP 35 -1.145 6.328 5.700
269 H VAL 36 HN VAL 36 -3.397 5.042 6.220
270 HA VAL 36 HA VAL 36 -3.955 4.500 3.360
271 HB VAL 36 HB VAL 36 -6.009 3.152 4.191
272 1HG1 VAL 36 HG12 VAL 36 -3.535 2.427 3.295
273 2HG1 VAL 36 HG11 VAL 36 -3.593 1.581 4.841
274 3HG1 VAL 36 HG13 VAL 36 -4.838 1.286 3.628
275 1HG2 VAL 36 HG22 VAL 36 -5.204 3.932 6.646
276 2HG2 VAL 36 HG21 VAL 36 -6.076 2.425 6.373
277 3HG2 VAL 36 HG23 VAL 36 -4.320 2.410 6.530
278 H GLY 37 HN GLY 37 -6.151 5.281 2.741
279 1HA GLY 37 HA2 GLY 37 -7.531 7.044 4.637
280 2HA GLY 37 HA1 GLY 37 -6.746 7.872 3.296
281 H PHE 38 HN PHE 38 -9.599 6.387 4.273
282 HA PHE 38 HA PHE 38 -10.524 5.206 1.819
283 1HB PHE 38 HB2 PHE 38 -11.373 5.490 4.438
284 2HB PHE 38 HB1 PHE 38 -12.526 6.486 3.549
285 HD1 PHE 38 HD1 PHE 38 -13.456 5.401 1.316
286 HD2 PHE 38 HD2 PHE 38 -11.771 3.191 4.590
287 HE1 PHE 38 HE1 PHE 38 -14.637 3.361 0.546
288 HE2 PHE 38 HE2 PHE 38 -12.950 1.150 3.819
289 HZ PHE 38 HZ PHE 38 -14.394 1.236 1.802
290 H GLU 39 HN GLU 39 -10.132 8.498 2.842
291 HA GLU 39 HA GLU 39 -12.116 9.872 1.380
292 1HB GLU 39 HB2 GLU 39 -9.221 10.443 2.059
293 2HB GLU 39 HB1 GLU 39 -10.244 11.644 1.269
294 1HG GLU 39 HG2 GLU 39 -11.886 10.875 3.289
295 2HG GLU 39 HG1 GLU 39 -10.317 10.642 4.058
296 H LYS 40 HN LYS 40 -8.748 9.371 0.259
297 HA LYS 40 HA LYS 40 -9.699 9.551 -2.549
298 1HB LYS 40 HB2 LYS 40 -7.294 10.163 -1.014
299 2HB LYS 40 HB1 LYS 40 -6.918 9.242 -2.471
300 1HG LYS 40 HG2 LYS 40 -7.040 11.224 -3.562
301 2HG LYS 40 HG1 LYS 40 -8.787 11.073 -3.373
302 1HD LYS 40 HD2 LYS 40 -8.859 12.783 -1.902
303 2HD LYS 40 HD1 LYS 40 -7.537 12.102 -0.952
304 1HE LYS 40 HE2 LYS 40 -6.832 14.275 -1.834
305 2HE LYS 40 HE1 LYS 40 -5.930 13.006 -2.687
306 1HZ LYS 40 HZ3 LYS 40 -8.153 13.110 -4.146
307 2HZ LYS 40 HZ2 LYS 40 -8.059 14.734 -3.657
308 3HZ LYS 40 HZ1 LYS 40 -6.769 14.023 -4.503
309 H ARG 41 HN ARG 41 -10.017 7.199 -0.631
310 HA ARG 41 HA ARG 41 -9.633 4.865 -0.600
311 1HB ARG 41 HB2 ARG 41 -10.611 5.898 -3.158
312 2HB ARG 41 HB1 ARG 41 -9.870 4.302 -3.305
313 1HG ARG 41 HG2 ARG 41 -11.540 4.482 -0.934
314 2HG ARG 41 HG1 ARG 41 -12.455 4.850 -2.393
315 1HD ARG 41 HD2 ARG 41 -12.535 2.642 -2.864
316 2HD ARG 41 HD1 ARG 41 -10.765 2.599 -2.954
317 HE ARG 41 HE ARG 41 -12.475 1.752 -0.723
318 1HH1 ARG 41 HH21 ARG 41 -9.405 3.025 -1.572
319 2HH1 ARG 41 HH22 ARG 41 -8.738 2.826 0.014
320 1HH2 ARG 41 HH11 ARG 41 -11.643 1.496 1.349
321 2HH2 ARG 41 HH12 ARG 41 -10.005 1.961 1.666
322 H GLU 42 HN GLU 42 -7.162 5.741 -0.267
323 HA GLU 42 HA GLU 42 -5.568 4.070 -2.142
324 1HB GLU 42 HB2 GLU 42 -3.981 5.948 -2.451
325 2HB GLU 42 HB1 GLU 42 -5.598 6.397 -2.994
326 1HG GLU 42 HG2 GLU 42 -6.029 7.604 -0.947
327 2HG GLU 42 HG1 GLU 42 -4.532 7.011 -0.227
328 H ALA 43 HN ALA 43 -3.273 3.759 -1.260
329 HA ALA 43 HA ALA 43 -3.275 4.009 1.733
330 1HB ALA 43 HB1 ALA 43 -2.621 1.712 -0.113
331 2HB ALA 43 HB3 ALA 43 -1.925 1.781 1.506
332 3HB ALA 43 HB2 ALA 43 -3.675 1.721 1.301
333 H VAL 44 HN VAL 44 -1.426 4.987 2.530
334 HA VAL 44 HA VAL 44 0.737 5.558 0.547
335 HB VAL 44 HB VAL 44 -0.576 7.402 1.692
336 1HG1 VAL 44 HG11 VAL 44 -0.470 5.944 3.899
337 2HG1 VAL 44 HG13 VAL 44 1.034 6.828 4.154
338 3HG1 VAL 44 HG12 VAL 44 -0.488 7.705 3.991
339 1HG2 VAL 44 HG23 VAL 44 2.125 7.222 1.091
340 2HG2 VAL 44 HG22 VAL 44 1.263 8.711 1.480
341 3HG2 VAL 44 HG21 VAL 44 2.128 7.836 2.743
342 H VAL 45 HN VAL 45 2.442 4.208 0.757
343 HA VAL 45 HA VAL 45 3.215 3.373 3.528
344 HB VAL 45 HB VAL 45 2.954 1.828 0.947
345 1HG1 VAL 45 HG11 VAL 45 4.900 1.472 3.070
346 2HG1 VAL 45 HG13 VAL 45 3.824 0.079 2.965
347 3HG1 VAL 45 HG12 VAL 45 4.740 0.593 1.549
348 1HG2 VAL 45 HG21 VAL 45 1.173 2.226 2.960
349 2HG2 VAL 45 HG23 VAL 45 1.222 0.756 1.986
350 3HG2 VAL 45 HG22 VAL 45 2.013 0.796 3.561
351 H THR 46 HN THR 46 5.395 3.305 3.943
352 HA THR 46 HA THR 46 7.205 4.406 1.829
353 HB THR 46 HB THR 46 6.979 4.567 4.824
354 HG1 THR 46 HG1 THR 46 6.555 6.521 4.251
355 1HG2 THR 46 HG23 THR 46 9.272 3.732 4.392
356 2HG2 THR 46 HG22 THR 46 9.540 5.080 3.286
357 3HG2 THR 46 HG21 THR 46 9.281 5.386 5.004
358 H PHE 47 HN PHE 47 9.436 3.332 1.839
359 HA PHE 47 HA PHE 47 9.729 0.838 3.308
360 1HB PHE 47 HB2 PHE 47 9.440 -0.650 1.378
361 2HB PHE 47 HB1 PHE 47 7.967 0.280 1.656
362 HD1 PHE 47 HD2 PHE 47 11.091 0.154 -0.423
363 HD2 PHE 47 HD1 PHE 47 7.126 1.771 0.031
364 HE1 PHE 47 HE2 PHE 47 11.209 1.085 -2.705
365 HE2 PHE 47 HE1 PHE 47 7.248 2.700 -2.261
366 HZ PHE 47 HZ PHE 47 9.278 2.357 -3.630
367 H ASP 48 HN ASP 48 11.444 -0.568 2.095
368 HA ASP 48 HA ASP 48 13.673 1.271 1.376
369 1HB ASP 48 HB2 ASP 48 13.336 -1.280 2.859
370 2HB ASP 48 HB1 ASP 48 14.795 -1.162 1.877
371 H ASP 49 HN ASP 49 13.899 1.387 -0.811
372 HA ASP 49 HA ASP 49 12.716 -0.392 -2.675
373 1HB ASP 49 HB2 ASP 49 13.366 1.807 -3.329
374 2HB ASP 49 HB1 ASP 49 15.027 1.554 -2.791
375 H THR 50 HN THR 50 15.426 -0.921 -0.685
376 HA THR 50 HA THR 50 17.042 -2.564 -2.425
377 HB THR 50 HB THR 50 18.165 -3.127 -0.341
378 HG1 THR 50 HG1 THR 50 16.933 -2.100 1.573
379 1HG2 THR 50 HG21 THR 50 17.600 -0.491 -1.182
380 2HG2 THR 50 HG23 THR 50 17.498 -0.477 0.578
381 3HG2 THR 50 HG22 THR 50 18.971 -1.035 -0.215
382 H LYS 51 HN LYS 51 14.220 -3.208 -0.388
383 HA LYS 51 HA LYS 51 14.258 -6.037 -1.378
384 1HB LYS 51 HB2 LYS 51 13.858 -4.942 1.414
385 2HB LYS 51 HB1 LYS 51 13.371 -6.578 0.967
386 1HG LYS 51 HG2 LYS 51 15.796 -6.800 0.044
387 2HG LYS 51 HG1 LYS 51 16.140 -5.398 1.058
388 1HD LYS 51 HD2 LYS 51 14.744 -6.953 2.806
389 2HD LYS 51 HD1 LYS 51 15.547 -8.189 1.837
390 1HE LYS 51 HE2 LYS 51 17.277 -7.807 3.310
391 2HE LYS 51 HE1 LYS 51 17.613 -6.443 2.225
392 1HZ LYS 51 HZ1 LYS 51 15.688 -6.272 4.472
393 2HZ LYS 51 HZ3 LYS 51 17.322 -5.850 4.640
394 3HZ LYS 51 HZ2 LYS 51 16.333 -4.997 3.553
395 H ALA 52 HN ALA 52 12.673 -3.370 -1.888
396 HA ALA 52 HA ALA 52 10.116 -4.644 -2.396
397 1HB ALA 52 HB3 ALA 52 10.407 -4.008 0.187
398 2HB ALA 52 HB2 ALA 52 9.903 -2.424 -0.402
399 3HB ALA 52 HB1 ALA 52 8.857 -3.825 -0.634
400 H SER 53 HN SER 53 8.459 -2.753 -2.963
401 HA SER 53 HA SER 53 9.372 -0.158 -3.707
402 1HB SER 53 HB2 SER 53 10.402 -0.482 -5.722
403 2HB SER 53 HB1 SER 53 10.608 -2.140 -5.164
404 HG SER 53 HG SER 53 8.967 -2.774 -6.396
405 H VAL 54 HN VAL 54 7.809 0.805 -5.422
406 HA VAL 54 HA VAL 54 5.145 0.590 -4.748
407 HB VAL 54 HB VAL 54 6.632 1.226 -7.280
408 1HG1 VAL 54 HG11 VAL 54 3.624 1.018 -6.997
409 2HG1 VAL 54 HG13 VAL 54 4.403 1.997 -8.241
410 3HG1 VAL 54 HG12 VAL 54 4.646 0.250 -8.211
411 1HG2 VAL 54 HG21 VAL 54 5.102 2.659 -5.139
412 2HG2 VAL 54 HG23 VAL 54 6.679 3.040 -5.832
413 3HG2 VAL 54 HG22 VAL 54 5.208 3.399 -6.736
414 H GLN 55 HN GLN 55 6.956 -1.558 -6.908
415 HA GLN 55 HA GLN 55 4.799 -3.031 -8.027
416 1HB GLN 55 HB2 GLN 55 7.294 -3.053 -8.571
417 2HB GLN 55 HB1 GLN 55 7.502 -4.108 -7.174
418 1HG GLN 55 HG2 GLN 55 5.688 -5.592 -8.237
419 2HG GLN 55 HG1 GLN 55 5.949 -4.651 -9.707
420 1HE2 GLN 55 HE22 GLN 55 9.505 -5.782 -9.775
421 2HE2 GLN 55 HE21 GLN 55 8.719 -4.279 -9.694
422 H LYS 56 HN LYS 56 6.725 -3.717 -5.082
423 HA LYS 56 HA LYS 56 5.038 -5.952 -4.302
424 1HB LYS 56 HB2 LYS 56 7.073 -4.336 -2.733
425 2HB LYS 56 HB1 LYS 56 6.513 -5.964 -2.353
426 1HG LYS 56 HG2 LYS 56 8.027 -5.142 -4.845
427 2HG LYS 56 HG1 LYS 56 8.671 -6.084 -3.499
428 1HD LYS 56 HD2 LYS 56 6.518 -7.589 -4.051
429 2HD LYS 56 HD1 LYS 56 6.783 -6.904 -5.655
430 1HE LYS 56 HE2 LYS 56 9.225 -7.889 -4.281
431 2HE LYS 56 HE1 LYS 56 8.066 -9.134 -4.786
432 1HZ LYS 56 HZ1 LYS 56 7.961 -8.050 -6.973
433 2HZ LYS 56 HZ3 LYS 56 9.167 -6.960 -6.488
434 3HZ LYS 56 HZ2 LYS 56 9.524 -8.616 -6.619
435 H LEU 57 HN LEU 57 4.874 -2.481 -3.759
436 HA LEU 57 HA LEU 57 3.323 -2.600 -1.311
437 1HB LEU 57 HB2 LEU 57 3.437 -0.515 -3.519
438 2HB LEU 57 HB1 LEU 57 2.869 -0.243 -1.877
439 HG LEU 57 HG LEU 57 5.684 -1.015 -2.683
440 1HD1 LEU 57 HD11 LEU 57 4.369 1.449 -2.686
441 2HD1 LEU 57 HD13 LEU 57 5.292 1.444 -1.184
442 3HD1 LEU 57 HD12 LEU 57 6.114 1.194 -2.726
443 1HD2 LEU 57 HD21 LEU 57 4.326 -0.688 -0.002
444 2HD2 LEU 57 HD23 LEU 57 5.392 -1.985 -0.543
445 3HD2 LEU 57 HD22 LEU 57 6.056 -0.393 -0.177
446 H THR 58 HN THR 58 2.382 -1.822 -4.677
447 HA THR 58 HA THR 58 -0.428 -2.028 -4.310
448 HB THR 58 HB THR 58 1.320 -2.599 -6.731
449 HG1 THR 58 HG1 THR 58 0.535 -0.318 -7.096
450 1HG2 THR 58 HG22 THR 58 -1.230 -3.248 -6.680
451 2HG2 THR 58 HG21 THR 58 -1.473 -1.509 -6.844
452 3HG2 THR 58 HG23 THR 58 -0.570 -2.392 -8.074
453 H LYS 59 HN LYS 59 2.062 -4.459 -4.738
454 HA LYS 59 HA LYS 59 0.264 -6.623 -5.386
455 1HB LYS 59 HB2 LYS 59 2.605 -6.625 -6.068
456 2HB LYS 59 HB1 LYS 59 3.123 -6.469 -4.389
457 1HG LYS 59 HG2 LYS 59 2.479 -8.662 -3.853
458 2HG LYS 59 HG1 LYS 59 1.401 -8.785 -5.245
459 1HD LYS 59 HD2 LYS 59 3.296 -8.832 -6.770
460 2HD LYS 59 HD1 LYS 59 4.418 -8.562 -5.436
461 1HE LYS 59 HE2 LYS 59 3.454 -10.724 -4.406
462 2HE LYS 59 HE1 LYS 59 2.764 -11.029 -6.013
463 1HZ LYS 59 HZ3 LYS 59 5.074 -10.468 -6.872
464 2HZ LYS 59 HZ2 LYS 59 5.608 -10.681 -5.273
465 3HZ LYS 59 HZ1 LYS 59 4.886 -11.971 -6.110
466 H ALA 60 HN ALA 60 1.576 -5.189 -2.469
467 HA ALA 60 HA ALA 60 0.901 -7.322 -0.674
468 1HB ALA 60 HB2 ALA 60 2.251 -4.879 -0.640
469 2HB ALA 60 HB1 ALA 60 0.871 -4.616 0.427
470 3HB ALA 60 HB3 ALA 60 1.998 -5.933 0.751
471 H THR 61 HN THR 61 -0.674 -4.206 -1.445
472 HA THR 61 HA THR 61 -3.057 -4.741 0.094
473 HB THR 61 HB THR 61 -2.687 -2.465 -0.458
474 HG1 THR 61 HG1 THR 61 -4.312 -2.158 -2.295
475 1HG2 THR 61 HG21 THR 61 -2.009 -3.530 -3.192
476 2HG2 THR 61 HG23 THR 61 -2.420 -1.832 -2.962
477 3HG2 THR 61 HG22 THR 61 -1.029 -2.524 -2.128
478 H ALA 62 HN ALA 62 -1.952 -5.368 -3.113
479 HA ALA 62 HA ALA 62 -4.417 -6.240 -4.289
480 1HB ALA 62 HB3 ALA 62 -1.478 -6.597 -4.788
481 2HB ALA 62 HB2 ALA 62 -2.627 -7.537 -5.738
482 3HB ALA 62 HB1 ALA 62 -2.676 -5.774 -5.784
483 H ASP 63 HN ASP 63 -1.994 -7.784 -2.261
484 HA ASP 63 HA ASP 63 -3.229 -10.454 -2.551
485 1HB ASP 63 HB2 ASP 63 -0.706 -9.760 -2.274
486 2HB ASP 63 HB1 ASP 63 -1.112 -9.656 -0.561
487 H ALA 64 HN ALA 64 -3.655 -7.634 -0.697
488 HA ALA 64 HA ALA 64 -4.545 -8.901 1.783
489 1HB ALA 64 HB3 ALA 64 -3.649 -6.440 1.073
490 2HB ALA 64 HB2 ALA 64 -5.387 -6.152 0.991
491 3HB ALA 64 HB1 ALA 64 -4.655 -6.706 2.497
492 H GLY 65 HN GLY 65 -5.888 -7.910 -1.286
493 1HA GLY 65 HA2 GLY 65 -8.000 -9.375 -1.717
494 2HA GLY 65 HA1 GLY 65 -8.626 -8.545 -0.297
495 H TYR 66 HN TYR 66 -6.603 -6.728 -2.532
496 HA TYR 66 HA TYR 66 -9.024 -5.597 -3.851
497 1HB TYR 66 HB2 TYR 66 -6.975 -3.953 -2.349
498 2HB TYR 66 HB1 TYR 66 -8.464 -3.372 -3.087
499 HD1 TYR 66 HD1 TYR 66 -10.644 -4.654 -2.282
500 HD2 TYR 66 HD2 TYR 66 -6.952 -4.374 -0.128
501 HE1 TYR 66 HE1 TYR 66 -11.852 -5.081 -0.176
502 HE2 TYR 66 HE2 TYR 66 -8.147 -4.789 1.985
503 HH TYR 66 HH TYR 66 -11.151 -6.084 2.180
504 HA PRO 67 HA PRO 67 -5.761 -5.841 -7.042
505 1HB PRO 67 HB2 PRO 67 -7.789 -4.797 -8.828
506 2HB PRO 67 HB1 PRO 67 -7.102 -6.425 -8.800
507 1HG PRO 67 HG2 PRO 67 -9.726 -5.612 -7.972
508 2HG PRO 67 HG1 PRO 67 -9.030 -7.235 -7.930
509 1HD PRO 67 HD2 PRO 67 -9.615 -5.525 -5.692
510 2HD PRO 67 HD1 PRO 67 -8.840 -7.129 -5.657
511 H SER 68 HN SER 68 -4.572 -4.025 -6.250
512 HA SER 68 HA SER 68 -5.806 -1.337 -6.628
513 1HB SER 68 HB2 SER 68 -4.268 -0.675 -4.882
514 2HB SER 68 HB1 SER 68 -5.022 -2.190 -4.394
515 HG SER 68 HG SER 68 -2.423 -1.625 -4.859
516 H SER 69 HN SER 69 -3.623 0.248 -6.598
517 HA SER 69 HA SER 69 -1.719 -0.505 -8.731
518 1HB SER 69 HB2 SER 69 -4.026 1.393 -8.939
519 2HB SER 69 HB1 SER 69 -2.518 1.851 -9.723
520 HG SER 69 HG SER 69 -4.264 0.380 -10.787
521 H VAL 70 HN VAL 70 -0.771 2.147 -9.104
522 HA VAL 70 HA VAL 70 -0.193 3.057 -6.341
523 HB VAL 70 HB VAL 70 1.365 1.323 -7.409
524 1HG1 VAL 70 HG12 VAL 70 1.328 3.034 -9.532
525 2HG1 VAL 70 HG11 VAL 70 2.808 3.550 -8.723
526 3HG1 VAL 70 HG13 VAL 70 2.622 1.873 -9.235
527 1HG2 VAL 70 HG21 VAL 70 1.872 3.649 -5.789
528 2HG2 VAL 70 HG23 VAL 70 2.660 2.073 -5.719
529 3HG2 VAL 70 HG22 VAL 70 3.288 3.326 -6.789
530 H LYS 71 HN LYS 71 0.761 5.224 -6.240
531 HA LYS 71 HA LYS 71 0.292 6.823 -8.736
532 1HB LYS 71 HB2 LYS 71 -0.135 8.120 -6.105
533 2HB LYS 71 HB1 LYS 71 -1.071 8.276 -7.587
534 1HG LYS 71 HG2 LYS 71 -1.822 5.827 -7.089
535 2HG LYS 71 HG1 LYS 71 -1.274 6.173 -5.447
536 1HD LYS 71 HD2 LYS 71 -2.702 8.196 -5.427
537 2HD LYS 71 HD1 LYS 71 -3.301 7.761 -7.028
538 1HE LYS 71 HE2 LYS 71 -3.961 5.491 -5.962
539 2HE LYS 71 HE1 LYS 71 -3.750 6.320 -4.407
540 1HZ LYS 71 HZ3 LYS 71 -5.250 7.664 -6.545
541 2HZ LYS 71 HZ2 LYS 71 -6.028 6.443 -5.655
542 3HZ LYS 71 HZ1 LYS 71 -5.409 7.813 -4.863
543 H GLN 72 HN GLN 72 2.612 5.619 -7.415
544 HA GLN 72 HA GLN 72 4.811 6.214 -6.666
545 1HB GLN 72 HB2 GLN 72 4.009 7.288 -9.170
546 2HB GLN 72 HB1 GLN 72 4.983 8.527 -8.378
547 1HG GLN 72 HG2 GLN 72 6.815 7.377 -9.003
548 2HG GLN 72 HG1 GLN 72 6.326 6.112 -7.876
549 1HE2 GLN 72 HE22 GLN 72 6.374 4.112 -10.854
550 2HE2 GLN 72 HE21 GLN 72 7.296 4.562 -9.502
No H/Q in entry = 550
Start of MODEL 15
1 1H ALA 1 HT3 ALA 1 -17.506 1.593 -2.077
2 2H ALA 1 HT2 ALA 1 -18.459 2.217 -0.817
3 3H ALA 1 HT1 ALA 1 -18.539 2.906 -2.368
4 HA ALA 1 HA ALA 1 -17.161 4.421 -1.366
5 1HB ALA 1 HB2 ALA 1 -17.365 3.012 0.732
6 2HB ALA 1 HB1 ALA 1 -15.967 2.095 0.168
7 3HB ALA 1 HB3 ALA 1 -15.804 3.811 0.541
8 H THR 2 HN THR 2 -15.099 5.095 -2.131
9 HA THR 2 HA THR 2 -13.224 3.176 -3.285
10 HB THR 2 HB THR 2 -13.543 5.027 -5.290
11 HG1 THR 2 HG1 THR 2 -16.124 4.261 -4.438
12 1HG2 THR 2 HG21 THR 2 -13.644 2.310 -5.022
13 2HG2 THR 2 HG23 THR 2 -15.289 2.673 -5.542
14 3HG2 THR 2 HG22 THR 2 -13.920 3.169 -6.537
15 H GLN 3 HN GLN 3 -11.803 4.107 -1.690
16 HA GLN 3 HA GLN 3 -11.277 7.046 -2.004
17 1HB GLN 3 HB2 GLN 3 -11.272 5.098 0.256
18 2HB GLN 3 HB1 GLN 3 -10.173 6.475 0.353
19 1HG GLN 3 HG2 GLN 3 -12.055 8.016 -0.038
20 2HG GLN 3 HG1 GLN 3 -13.160 6.646 -0.145
21 1HE2 GLN 3 HE22 GLN 3 -13.605 7.480 3.334
22 2HE2 GLN 3 HE21 GLN 3 -14.215 7.817 1.786
23 H THR 4 HN THR 4 -8.904 7.459 -0.991
24 HA THR 4 HA THR 4 -6.949 5.560 -2.207
25 HB THR 4 HB THR 4 -7.202 8.537 -2.739
26 HG1 THR 4 HG1 THR 4 -8.545 7.659 -4.125
27 1HG2 THR 4 HG21 THR 4 -4.845 7.717 -2.574
28 2HG2 THR 4 HG23 THR 4 -5.203 6.548 -3.845
29 3HG2 THR 4 HG22 THR 4 -5.270 8.276 -4.191
30 H VAL 5 HN VAL 5 -4.922 5.611 -1.180
31 HA VAL 5 HA VAL 5 -4.297 7.650 0.888
32 HB VAL 5 HB VAL 5 -4.521 4.717 1.565
33 1HG1 VAL 5 HG13 VAL 5 -3.722 7.208 2.950
34 2HG1 VAL 5 HG12 VAL 5 -4.723 6.094 3.881
35 3HG1 VAL 5 HG11 VAL 5 -3.186 5.549 3.212
36 1HG2 VAL 5 HG22 VAL 5 -6.506 6.971 2.012
37 2HG2 VAL 5 HG21 VAL 5 -6.774 5.498 1.080
38 3HG2 VAL 5 HG23 VAL 5 -6.589 5.412 2.832
39 H THR 6 HN THR 6 -2.125 7.162 1.822
40 HA THR 6 HA THR 6 -0.396 5.743 -0.167
41 HB THR 6 HB THR 6 0.246 8.037 -0.042
42 HG1 THR 6 HG1 THR 6 1.806 6.651 1.872
43 1HG2 THR 6 HG21 THR 6 -0.175 7.691 2.926
44 2HG2 THR 6 HG23 THR 6 0.637 9.096 2.236
45 3HG2 THR 6 HG22 THR 6 -1.049 8.766 1.834
46 H LEU 7 HN LEU 7 1.581 4.740 1.013
47 HA LEU 7 HA LEU 7 0.750 3.781 3.712
48 1HB LEU 7 HB2 LEU 7 0.967 2.391 1.170
49 2HB LEU 7 HB1 LEU 7 2.038 1.667 2.373
50 HG LEU 7 HG LEU 7 0.247 1.311 3.891
51 1HD1 LEU 7 HD13 LEU 7 -1.244 3.197 2.110
52 2HD1 LEU 7 HD12 LEU 7 -2.115 2.072 3.152
53 3HD1 LEU 7 HD11 LEU 7 -1.022 3.258 3.854
54 1HD2 LEU 7 HD23 LEU 7 0.288 0.054 1.474
55 2HD2 LEU 7 HD22 LEU 7 -0.838 -0.370 2.762
56 3HD2 LEU 7 HD21 LEU 7 -1.348 0.710 1.465
57 H ALA 8 HN ALA 8 2.559 3.027 4.998
58 HA ALA 8 HA ALA 8 5.127 4.344 4.181
59 1HB ALA 8 HB2 ALA 8 3.630 3.904 6.732
60 2HB ALA 8 HB1 ALA 8 5.388 4.018 6.815
61 3HB ALA 8 HB3 ALA 8 4.448 5.355 6.151
62 H VAL 9 HN VAL 9 6.323 2.694 3.211
63 HA VAL 9 HA VAL 9 6.614 0.132 4.747
64 HB VAL 9 HB VAL 9 5.671 -0.281 2.594
65 1HG1 VAL 9 HG13 VAL 9 7.420 1.988 1.823
66 2HG1 VAL 9 HG12 VAL 9 7.224 0.727 0.605
67 3HG1 VAL 9 HG11 VAL 9 5.808 1.562 1.246
68 1HG2 VAL 9 HG21 VAL 9 8.339 -1.089 3.184
69 2HG2 VAL 9 HG23 VAL 9 7.157 -1.923 2.177
70 3HG2 VAL 9 HG22 VAL 9 8.264 -0.756 1.454
71 HA PRO 10 HA PRO 10 10.715 2.161 5.085
72 1HB PRO 10 HB2 PRO 10 11.086 1.101 7.648
73 2HB PRO 10 HB1 PRO 10 10.435 2.701 7.278
74 1HG PRO 10 HG2 PRO 10 9.050 0.379 8.358
75 2HG PRO 10 HG1 PRO 10 8.472 2.041 8.204
76 1HD PRO 10 HD2 PRO 10 7.770 -0.247 6.572
77 2HD PRO 10 HD1 PRO 10 7.161 1.422 6.447
78 H GLY 11 HN GLY 11 10.501 -0.200 3.560
79 1HA GLY 11 HA2 GLY 11 12.221 -2.219 4.890
80 2HA GLY 11 HA1 GLY 11 11.386 -2.434 3.351
81 H MET 12 HN MET 12 12.356 0.361 2.605
82 HA MET 12 HA MET 12 14.036 1.032 1.057
83 1HB MET 12 HB2 MET 12 16.272 1.072 2.445
84 2HB MET 12 HB1 MET 12 14.905 2.046 2.978
85 1HG MET 12 HG2 MET 12 14.249 0.260 4.553
86 2HG MET 12 HG1 MET 12 15.623 -0.710 4.023
87 1HE MET 12 HE2 MET 12 17.062 -1.114 5.281
88 2HE MET 12 HE1 MET 12 18.278 -0.057 5.994
89 3HE MET 12 HE3 MET 12 16.862 -0.544 6.936
90 H THR 13 HN THR 13 13.477 -1.328 0.125
91 HA THR 13 HA THR 13 15.804 -3.145 0.201
92 HB THR 13 HB THR 13 14.003 -4.091 -1.669
93 HG1 THR 13 HG1 THR 13 12.489 -2.895 0.390
94 1HG2 THR 13 HG21 THR 13 15.012 -5.202 0.379
95 2HG2 THR 13 HG23 THR 13 13.708 -4.471 1.315
96 3HG2 THR 13 HG22 THR 13 13.336 -5.632 0.040
97 H CYS 14 HN CYS 14 15.661 -0.322 -1.101
98 HA CYS 14 HA CYS 14 16.754 0.658 -2.956
99 1HB CYS 14 HB2 CYS 14 18.124 -1.557 -2.446
100 2HB CYS 14 HB1 CYS 14 17.405 -2.093 -3.964
101 HG CYS 14 HG CYS 14 19.291 -0.824 -4.980
102 H ALA 15 HN ALA 15 14.752 1.345 -3.905
103 HA ALA 15 HA ALA 15 13.037 1.365 -5.540
104 1HB ALA 15 HB2 ALA 15 15.553 0.663 -6.609
105 2HB ALA 15 HB1 ALA 15 14.395 -0.426 -7.373
106 3HB ALA 15 HB3 ALA 15 14.176 1.319 -7.495
107 H ALA 16 HN ALA 16 13.013 -0.840 -3.504
108 HA ALA 16 HA ALA 16 11.466 -2.857 -5.104
109 1HB ALA 16 HB1 ALA 16 13.782 -3.084 -3.376
110 2HB ALA 16 HB3 ALA 16 12.450 -4.057 -2.750
111 3HB ALA 16 HB2 ALA 16 13.037 -4.317 -4.393
112 H CYS 17 HN CYS 17 11.912 -1.447 -1.852
113 HA CYS 17 HA CYS 17 9.785 -2.478 -0.465
114 1HB CYS 17 HB2 CYS 17 9.559 0.254 0.144
115 2HB CYS 17 HB1 CYS 17 10.534 -0.937 0.978
116 HG CYS 17 HG CYS 17 11.998 1.155 0.139
117 HA PRO 18 HA PRO 18 6.366 0.465 -2.124
118 1HB PRO 18 HB2 PRO 18 7.171 2.075 -4.268
119 2HB PRO 18 HB1 PRO 18 6.990 2.596 -2.589
120 1HG PRO 18 HG2 PRO 18 9.454 2.040 -4.124
121 2HG PRO 18 HG1 PRO 18 9.225 3.065 -2.703
122 1HD PRO 18 HD2 PRO 18 10.458 0.554 -2.682
123 2HD PRO 18 HD1 PRO 18 9.763 1.377 -1.263
124 H ILE 19 HN ILE 19 8.591 -1.198 -4.192
125 HA ILE 19 HA ILE 19 6.836 -1.347 -6.527
126 HB ILE 19 HB ILE 19 9.474 -2.399 -5.599
127 1HG1 ILE 19 HG12 ILE 19 10.166 -1.557 -7.804
128 2HG1 ILE 19 HG11 ILE 19 8.481 -1.252 -8.227
129 1HG2 ILE 19 HG22 ILE 19 7.790 -3.723 -7.739
130 2HG2 ILE 19 HG21 ILE 19 9.548 -3.866 -7.686
131 3HG2 ILE 19 HG23 ILE 19 8.571 -4.485 -6.354
132 1HD1 ILE 19 HD12 ILE 19 9.273 -0.047 -5.670
133 2HD1 ILE 19 HD11 ILE 19 10.175 0.581 -7.048
134 3HD1 ILE 19 HD13 ILE 19 8.414 0.671 -7.032
135 H THR 20 HN THR 20 7.955 -3.750 -4.138
136 HA THR 20 HA THR 20 6.039 -5.766 -4.895
137 HB THR 20 HB THR 20 8.241 -5.263 -3.055
138 HG1 THR 20 HG1 THR 20 8.543 -6.847 -4.465
139 1HG2 THR 20 HG23 THR 20 6.398 -5.415 -1.374
140 2HG2 THR 20 HG22 THR 20 6.032 -7.028 -1.988
141 3HG2 THR 20 HG21 THR 20 7.591 -6.706 -1.228
142 H VAL 21 HN VAL 21 6.273 -3.309 -2.358
143 HA VAL 21 HA VAL 21 3.926 -3.914 -0.919
144 HB VAL 21 HB VAL 21 5.563 -1.450 -1.496
145 1HG1 VAL 21 HG13 VAL 21 3.213 -0.695 -1.246
146 2HG1 VAL 21 HG12 VAL 21 3.112 -1.555 0.290
147 3HG1 VAL 21 HG11 VAL 21 4.209 -0.185 0.118
148 1HG2 VAL 21 HG22 VAL 21 5.190 -3.408 0.728
149 2HG2 VAL 21 HG21 VAL 21 6.674 -2.688 0.106
150 3HG2 VAL 21 HG23 VAL 21 5.613 -1.751 1.159
151 H LYS 22 HN LYS 22 4.480 -1.861 -3.762
152 HA LYS 22 HA LYS 22 1.899 -0.788 -4.123
153 1HB LYS 22 HB2 LYS 22 3.784 -0.111 -5.446
154 2HB LYS 22 HB1 LYS 22 4.041 -1.750 -6.037
155 1HG LYS 22 HG2 LYS 22 1.614 -1.523 -6.981
156 2HG LYS 22 HG1 LYS 22 1.880 0.209 -6.781
157 1HD LYS 22 HD2 LYS 22 3.991 -0.021 -8.115
158 2HD LYS 22 HD1 LYS 22 3.566 -1.705 -8.418
159 1HE LYS 22 HE2 LYS 22 2.078 -1.125 -10.032
160 2HE LYS 22 HE1 LYS 22 1.351 0.129 -9.006
161 1HZ LYS 22 HZ2 LYS 22 4.050 0.466 -10.161
162 2HZ LYS 22 HZ1 LYS 22 2.666 0.891 -11.049
163 3HZ LYS 22 HZ3 LYS 22 2.992 1.658 -9.571
164 H LYS 23 HN LYS 23 3.203 -3.861 -5.422
165 HA LYS 23 HA LYS 23 0.685 -4.696 -6.572
166 1HB LYS 23 HB2 LYS 23 3.308 -6.007 -5.876
167 2HB LYS 23 HB1 LYS 23 1.989 -6.914 -6.617
168 1HG LYS 23 HG2 LYS 23 1.956 -5.345 -8.507
169 2HG LYS 23 HG1 LYS 23 3.259 -4.413 -7.764
170 1HD LYS 23 HD2 LYS 23 4.196 -5.932 -9.431
171 2HD LYS 23 HD1 LYS 23 4.696 -6.443 -7.818
172 1HE LYS 23 HE2 LYS 23 2.140 -7.628 -8.703
173 2HE LYS 23 HE1 LYS 23 3.550 -8.128 -9.659
174 1HZ LYS 23 HZ3 LYS 23 3.940 -7.947 -6.782
175 2HZ LYS 23 HZ2 LYS 23 2.943 -9.216 -7.310
176 3HZ LYS 23 HZ1 LYS 23 4.536 -9.089 -7.885
177 H ALA 24 HN ALA 24 1.802 -4.688 -3.347
178 HA ALA 24 HA ALA 24 0.463 -7.103 -2.470
179 1HB ALA 24 HB1 ALA 24 2.426 -5.454 -1.515
180 2HB ALA 24 HB3 ALA 24 1.049 -4.944 -0.539
181 3HB ALA 24 HB2 ALA 24 1.566 -6.630 -0.522
182 H LEU 25 HN LEU 25 -0.064 -3.752 -1.548
183 HA LEU 25 HA LEU 25 -2.791 -4.182 -0.750
184 1HB LEU 25 HB2 LEU 25 -2.724 -1.550 -0.891
185 2HB LEU 25 HB1 LEU 25 -1.801 -2.380 0.347
186 HG LEU 25 HG LEU 25 -0.717 -0.486 -1.082
187 1HD1 LEU 25 HD13 LEU 25 0.624 -3.049 -0.320
188 2HD1 LEU 25 HD12 LEU 25 1.506 -1.641 -0.906
189 3HD1 LEU 25 HD11 LEU 25 0.556 -1.535 0.565
190 1HD2 LEU 25 HD22 LEU 25 -1.374 -1.704 -3.218
191 2HD2 LEU 25 HD21 LEU 25 0.240 -1.016 -3.123
192 3HD2 LEU 25 HD23 LEU 25 0.008 -2.744 -2.902
193 H SER 26 HN SER 26 -1.263 -3.846 -3.761
194 HA SER 26 HA SER 26 -3.502 -2.612 -5.213
195 1HB SER 26 HB2 SER 26 -1.338 -2.328 -6.151
196 2HB SER 26 HB1 SER 26 -0.918 -4.018 -5.907
197 HG SER 26 HG SER 26 -2.013 -4.555 -7.660
198 H LYS 27 HN LYS 27 -2.381 -5.860 -4.378
199 HA LYS 27 HA LYS 27 -4.684 -6.992 -5.909
200 1HB LYS 27 HB2 LYS 27 -3.337 -9.032 -5.979
201 2HB LYS 27 HB1 LYS 27 -2.348 -7.675 -6.520
202 1HG LYS 27 HG2 LYS 27 -0.926 -8.738 -4.990
203 2HG LYS 27 HG1 LYS 27 -1.681 -7.495 -3.994
204 1HD LYS 27 HD2 LYS 27 -2.907 -8.987 -2.795
205 2HD LYS 27 HD1 LYS 27 -3.122 -10.073 -4.169
206 1HE LYS 27 HE2 LYS 27 -0.415 -10.263 -3.781
207 2HE LYS 27 HE1 LYS 27 -0.994 -10.054 -2.116
208 1HZ LYS 27 HZ1 LYS 27 -2.849 -11.696 -3.086
209 2HZ LYS 27 HZ3 LYS 27 -1.514 -12.212 -3.997
210 3HZ LYS 27 HZ2 LYS 27 -1.446 -12.245 -2.300
211 H VAL 28 HN VAL 28 -4.092 -5.940 -2.915
212 HA VAL 28 HA VAL 28 -4.438 -8.031 -1.087
213 HB VAL 28 HB VAL 28 -3.998 -5.754 -0.419
214 1HG1 VAL 28 HG13 VAL 28 -5.595 -4.944 -2.389
215 2HG1 VAL 28 HG12 VAL 28 -6.773 -4.861 -1.080
216 3HG1 VAL 28 HG11 VAL 28 -5.284 -3.920 -0.987
217 1HG2 VAL 28 HG21 VAL 28 -6.389 -7.177 0.571
218 2HG2 VAL 28 HG23 VAL 28 -5.010 -6.535 1.464
219 3HG2 VAL 28 HG22 VAL 28 -6.331 -5.466 0.992
220 H GLU 29 HN GLU 29 -7.139 -6.146 -2.600
221 HA GLU 29 HA GLU 29 -8.782 -8.455 -2.969
222 1HB GLU 29 HB2 GLU 29 -8.912 -8.709 -0.642
223 2HB GLU 29 HB1 GLU 29 -8.879 -6.970 -0.355
224 1HG GLU 29 HG2 GLU 29 -11.119 -6.777 -0.559
225 2HG GLU 29 HG1 GLU 29 -11.168 -7.841 -1.965
226 H GLY 30 HN GLY 30 -10.070 -5.548 -1.446
227 1HA GLY 30 HA2 GLY 30 -11.766 -5.011 -3.739
228 2HA GLY 30 HA1 GLY 30 -11.660 -4.025 -2.281
229 H VAL 31 HN VAL 31 -8.580 -4.090 -2.890
230 HA VAL 31 HA VAL 31 -8.140 -1.517 -3.784
231 HB VAL 31 HB VAL 31 -6.366 -2.994 -3.074
232 1HG1 VAL 31 HG11 VAL 31 -7.458 -5.042 -4.122
233 2HG1 VAL 31 HG13 VAL 31 -6.758 -4.526 -5.657
234 3HG1 VAL 31 HG12 VAL 31 -5.706 -4.948 -4.306
235 1HG2 VAL 31 HG23 VAL 31 -6.290 -1.389 -5.414
236 2HG2 VAL 31 HG22 VAL 31 -4.948 -1.797 -4.346
237 3HG2 VAL 31 HG21 VAL 31 -5.306 -2.813 -5.742
238 H SER 32 HN SER 32 -8.109 -0.429 -5.637
239 HA SER 32 HA SER 32 -8.965 -1.865 -8.125
240 1HB SER 32 HB2 SER 32 -9.958 0.613 -6.760
241 2HB SER 32 HB1 SER 32 -10.090 0.497 -8.514
242 HG SER 32 HG SER 32 -10.969 -1.738 -7.879
243 H LYS 33 HN LYS 33 -6.703 0.209 -6.633
244 HA LYS 33 HA LYS 33 -5.290 0.541 -9.209
245 1HB LYS 33 HB2 LYS 33 -6.458 2.471 -9.581
246 2HB LYS 33 HB1 LYS 33 -6.919 2.633 -7.892
247 1HG LYS 33 HG2 LYS 33 -4.855 3.668 -7.318
248 2HG LYS 33 HG1 LYS 33 -4.095 3.163 -8.826
249 1HD LYS 33 HD2 LYS 33 -6.530 4.793 -9.175
250 2HD LYS 33 HD1 LYS 33 -5.183 5.641 -8.415
251 1HE LYS 33 HE2 LYS 33 -3.793 5.383 -10.285
252 2HE LYS 33 HE1 LYS 33 -4.699 3.980 -10.884
253 1HZ LYS 33 HZ3 LYS 33 -6.627 5.797 -10.812
254 2HZ LYS 33 HZ2 LYS 33 -5.307 6.819 -11.127
255 3HZ LYS 33 HZ1 LYS 33 -5.666 5.539 -12.185
256 H VAL 34 HN VAL 34 -3.094 1.592 -8.824
257 HA VAL 34 HA VAL 34 -2.161 1.898 -6.077
258 HB VAL 34 HB VAL 34 -2.580 -0.586 -6.470
259 1HG1 VAL 34 HG12 VAL 34 -1.258 -0.107 -8.838
260 2HG1 VAL 34 HG11 VAL 34 0.012 -0.830 -7.850
261 3HG1 VAL 34 HG13 VAL 34 -1.496 -1.703 -8.126
262 1HG2 VAL 34 HG23 VAL 34 -0.558 0.781 -5.101
263 2HG2 VAL 34 HG22 VAL 34 -1.054 -0.889 -4.839
264 3HG2 VAL 34 HG21 VAL 34 0.279 -0.529 -5.931
265 H ASP 35 HN ASP 35 0.067 2.555 -5.971
266 HA ASP 35 HA ASP 35 1.666 2.700 -8.443
267 1HB ASP 35 HB2 ASP 35 -0.151 4.717 -7.881
268 2HB ASP 35 HB1 ASP 35 1.352 5.347 -7.206
269 H VAL 36 HN VAL 36 3.815 3.904 -7.873
270 HA VAL 36 HA VAL 36 4.561 3.151 -5.070
271 HB VAL 36 HB VAL 36 6.906 3.188 -6.188
272 1HG1 VAL 36 HG12 VAL 36 4.855 1.242 -6.000
273 2HG1 VAL 36 HG11 VAL 36 5.626 1.017 -7.568
274 3HG1 VAL 36 HG13 VAL 36 6.592 0.967 -6.094
275 1HG2 VAL 36 HG21 VAL 36 5.642 4.347 -8.258
276 2HG2 VAL 36 HG23 VAL 36 7.066 3.330 -8.480
277 3HG2 VAL 36 HG22 VAL 36 5.455 2.660 -8.739
278 H GLY 37 HN GLY 37 5.872 4.584 -3.855
279 1HA GLY 37 HA2 GLY 37 6.372 7.286 -4.977
280 2HA GLY 37 HA1 GLY 37 5.413 7.166 -3.502
281 H PHE 38 HN PHE 38 8.497 5.866 -4.790
282 HA PHE 38 HA PHE 38 9.703 5.304 -2.290
283 1HB PHE 38 HB2 PHE 38 10.332 5.161 -4.979
284 2HB PHE 38 HB1 PHE 38 11.495 6.341 -4.374
285 HD1 PHE 38 HD2 PHE 38 12.554 5.676 -1.988
286 HD2 PHE 38 HD1 PHE 38 10.919 2.915 -4.843
287 HE1 PHE 38 HE2 PHE 38 13.884 3.843 -0.978
288 HE2 PHE 38 HE1 PHE 38 12.243 1.082 -3.829
289 HZ PHE 38 HZ PHE 38 13.732 1.545 -1.901
290 H GLU 39 HN GLU 39 8.963 8.356 -3.725
291 HA GLU 39 HA GLU 39 10.941 10.117 -2.881
292 1HB GLU 39 HB2 GLU 39 8.703 10.552 -4.030
293 2HB GLU 39 HB1 GLU 39 7.970 10.515 -2.426
294 1HG GLU 39 HG2 GLU 39 10.215 12.208 -2.201
295 2HG GLU 39 HG1 GLU 39 9.417 12.665 -3.707
296 H LYS 40 HN LYS 40 8.557 8.411 -0.921
297 HA LYS 40 HA LYS 40 10.076 9.168 1.529
298 1HB LYS 40 HB2 LYS 40 7.646 10.307 0.736
299 2HB LYS 40 HB1 LYS 40 7.184 9.090 1.926
300 1HG LYS 40 HG2 LYS 40 9.388 11.113 2.399
301 2HG LYS 40 HG1 LYS 40 7.714 11.375 2.892
302 1HD LYS 40 HD2 LYS 40 7.801 9.767 4.544
303 2HD LYS 40 HD1 LYS 40 9.001 8.800 3.688
304 1HE LYS 40 HE2 LYS 40 9.982 11.472 4.471
305 2HE LYS 40 HE1 LYS 40 9.571 10.424 5.842
306 1HZ LYS 40 HZ1 LYS 40 10.789 8.756 4.044
307 2HZ LYS 40 HZ3 LYS 40 11.713 10.175 3.957
308 3HZ LYS 40 HZ2 LYS 40 11.495 9.394 5.449
309 H ARG 41 HN ARG 41 10.084 6.703 0.045
310 HA ARG 41 HA ARG 41 9.640 4.386 0.290
311 1HB ARG 41 HB2 ARG 41 10.699 5.651 2.589
312 2HB ARG 41 HB1 ARG 41 9.507 4.488 3.171
313 1HG ARG 41 HG2 ARG 41 11.236 3.012 2.961
314 2HG ARG 41 HG1 ARG 41 10.743 3.000 1.267
315 1HD ARG 41 HD2 ARG 41 13.195 3.391 1.506
316 2HD ARG 41 HD1 ARG 41 12.387 4.792 0.777
317 HE ARG 41 HE ARG 41 12.261 5.234 3.536
318 1HH1 ARG 41 HH21 ARG 41 14.702 4.659 1.162
319 2HH1 ARG 41 HH22 ARG 41 15.910 5.580 1.993
320 1HH2 ARG 41 HH11 ARG 41 13.830 6.434 4.631
321 2HH2 ARG 41 HH12 ARG 41 15.419 6.578 3.958
322 H GLU 42 HN GLU 42 7.252 5.431 -0.371
323 HA GLU 42 HA GLU 42 5.373 4.075 1.505
324 1HB GLU 42 HB2 GLU 42 3.873 6.119 1.190
325 2HB GLU 42 HB1 GLU 42 5.327 6.395 2.150
326 1HG GLU 42 HG2 GLU 42 6.483 7.280 0.162
327 2HG GLU 42 HG1 GLU 42 5.036 7.001 -0.808
328 H ALA 43 HN ALA 43 3.143 3.826 0.409
329 HA ALA 43 HA ALA 43 3.463 3.644 -2.576
330 1HB ALA 43 HB1 ALA 43 2.346 1.666 -0.565
331 2HB ALA 43 HB3 ALA 43 2.140 1.492 -2.308
332 3HB ALA 43 HB2 ALA 43 3.756 1.449 -1.602
333 H VAL 44 HN VAL 44 1.654 4.423 -3.717
334 HA VAL 44 HA VAL 44 -0.601 5.423 -2.018
335 HB VAL 44 HB VAL 44 0.834 6.997 -3.360
336 1HG1 VAL 44 HG12 VAL 44 0.741 5.097 -5.288
337 2HG1 VAL 44 HG11 VAL 44 -0.543 6.166 -5.852
338 3HG1 VAL 44 HG13 VAL 44 1.089 6.793 -5.623
339 1HG2 VAL 44 HG21 VAL 44 -1.948 6.927 -3.051
340 2HG2 VAL 44 HG23 VAL 44 -0.983 8.336 -3.489
341 3HG2 VAL 44 HG22 VAL 44 -1.705 7.336 -4.749
342 H VAL 45 HN VAL 45 -2.217 3.917 -2.033
343 HA VAL 45 HA VAL 45 -2.946 2.709 -4.669
344 HB VAL 45 HB VAL 45 -3.318 1.562 -1.898
345 1HG1 VAL 45 HG11 VAL 45 -4.587 0.784 -4.090
346 2HG1 VAL 45 HG13 VAL 45 -3.051 -0.010 -4.436
347 3HG1 VAL 45 HG12 VAL 45 -3.938 -0.406 -2.963
348 1HG2 VAL 45 HG23 VAL 45 -0.911 1.954 -3.412
349 2HG2 VAL 45 HG22 VAL 45 -1.108 1.145 -1.858
350 3HG2 VAL 45 HG21 VAL 45 -1.276 0.234 -3.355
351 H THR 46 HN THR 46 -5.119 2.435 -5.118
352 HA THR 46 HA THR 46 -7.064 4.000 -3.454
353 HB THR 46 HB THR 46 -6.568 3.576 -6.388
354 HG1 THR 46 HG1 THR 46 -7.373 5.879 -6.169
355 1HG2 THR 46 HG21 THR 46 -9.255 3.993 -5.091
356 2HG2 THR 46 HG23 THR 46 -8.926 4.615 -6.708
357 3HG2 THR 46 HG22 THR 46 -8.818 2.884 -6.391
358 H PHE 47 HN PHE 47 -9.272 2.960 -3.391
359 HA PHE 47 HA PHE 47 -9.570 0.266 -4.410
360 1HB PHE 47 HB2 PHE 47 -9.432 -0.861 -2.218
361 2HB PHE 47 HB1 PHE 47 -7.905 -0.078 -2.623
362 HD1 PHE 47 HD2 PHE 47 -11.037 0.295 -0.598
363 HD2 PHE 47 HD1 PHE 47 -7.027 1.691 -1.314
364 HE1 PHE 47 HE2 PHE 47 -11.127 1.619 1.481
365 HE2 PHE 47 HE1 PHE 47 -7.122 3.017 0.775
366 HZ PHE 47 HZ PHE 47 -9.161 2.980 2.173
367 H ASP 48 HN ASP 48 -11.370 -0.851 -2.963
368 HA ASP 48 HA ASP 48 -13.552 1.171 -2.713
369 1HB ASP 48 HB2 ASP 48 -13.392 -1.782 -3.358
370 2HB ASP 48 HB1 ASP 48 -14.920 -1.045 -2.873
371 H ASP 49 HN ASP 49 -14.141 1.605 -0.612
372 HA ASP 49 HA ASP 49 -12.896 0.075 1.540
373 1HB ASP 49 HB2 ASP 49 -13.341 2.591 1.363
374 2HB ASP 49 HB1 ASP 49 -15.015 2.215 1.772
375 H THR 50 HN THR 50 -14.778 -1.513 -0.014
376 HA THR 50 HA THR 50 -16.935 -1.993 2.006
377 HB THR 50 HB THR 50 -17.928 -3.182 -0.108
378 HG1 THR 50 HG1 THR 50 -15.897 -2.957 -1.243
379 1HG2 THR 50 HG21 THR 50 -18.201 -0.659 0.983
380 2HG2 THR 50 HG23 THR 50 -17.873 -0.315 -0.715
381 3HG2 THR 50 HG22 THR 50 -19.234 -1.345 -0.271
382 H LYS 51 HN LYS 51 -14.243 -3.314 0.217
383 HA LYS 51 HA LYS 51 -14.626 -5.930 1.630
384 1HB LYS 51 HB2 LYS 51 -13.753 -5.280 -1.196
385 2HB LYS 51 HB1 LYS 51 -13.503 -6.868 -0.471
386 1HG LYS 51 HG2 LYS 51 -16.196 -6.156 0.056
387 2HG LYS 51 HG1 LYS 51 -15.901 -5.791 -1.644
388 1HD LYS 51 HD2 LYS 51 -14.671 -8.182 -1.510
389 2HD LYS 51 HD1 LYS 51 -15.870 -8.414 -0.237
390 1HE LYS 51 HE2 LYS 51 -17.567 -7.468 -1.998
391 2HE LYS 51 HE1 LYS 51 -16.316 -7.917 -3.175
392 1HZ LYS 51 HZ2 LYS 51 -16.938 -9.827 -1.048
393 2HZ LYS 51 HZ1 LYS 51 -18.068 -9.671 -2.308
394 3HZ LYS 51 HZ3 LYS 51 -16.468 -10.113 -2.656
395 H ALA 52 HN ALA 52 -12.716 -3.204 1.338
396 HA ALA 52 HA ALA 52 -10.587 -4.225 2.953
397 1HB ALA 52 HB2 ALA 52 -10.450 -5.230 0.441
398 2HB ALA 52 HB1 ALA 52 -9.533 -3.740 0.213
399 3HB ALA 52 HB3 ALA 52 -9.018 -4.916 1.422
400 H SER 53 HN SER 53 -8.611 -2.595 2.788
401 HA SER 53 HA SER 53 -8.842 -0.044 1.593
402 1HB SER 53 HB2 SER 53 -9.701 1.160 3.714
403 2HB SER 53 HB1 SER 53 -10.894 0.292 2.756
404 HG SER 53 HG SER 53 -10.952 -1.290 4.238
405 H VAL 54 HN VAL 54 -7.822 1.639 3.510
406 HA VAL 54 HA VAL 54 -5.134 1.252 3.688
407 HB VAL 54 HB VAL 54 -7.160 2.411 5.585
408 1HG1 VAL 54 HG12 VAL 54 -4.201 2.091 6.022
409 2HG1 VAL 54 HG11 VAL 54 -5.031 3.525 6.628
410 3HG1 VAL 54 HG13 VAL 54 -5.518 1.924 7.182
411 1HG2 VAL 54 HG22 VAL 54 -6.639 3.499 3.410
412 2HG2 VAL 54 HG21 VAL 54 -6.178 4.508 4.780
413 3HG2 VAL 54 HG23 VAL 54 -4.947 3.611 3.891
414 H GLN 55 HN GLN 55 -7.487 -0.219 5.948
415 HA GLN 55 HA GLN 55 -5.654 -1.400 7.761
416 1HB GLN 55 HB2 GLN 55 -8.024 -1.323 8.187
417 2HB GLN 55 HB1 GLN 55 -8.375 -2.231 6.716
418 1HG GLN 55 HG2 GLN 55 -8.535 -3.822 8.480
419 2HG GLN 55 HG1 GLN 55 -6.966 -4.120 7.732
420 1HE2 GLN 55 HE22 GLN 55 -6.937 -2.117 11.337
421 2HE2 GLN 55 HE21 GLN 55 -8.198 -1.814 10.242
422 H LYS 56 HN LYS 56 -7.093 -2.821 4.801
423 HA LYS 56 HA LYS 56 -5.406 -5.204 4.981
424 1HB LYS 56 HB2 LYS 56 -7.321 -4.105 2.903
425 2HB LYS 56 HB1 LYS 56 -6.589 -5.707 2.822
426 1HG LYS 56 HG2 LYS 56 -8.156 -4.780 5.233
427 2HG LYS 56 HG1 LYS 56 -8.926 -5.582 3.862
428 1HD LYS 56 HD2 LYS 56 -7.026 -7.366 4.195
429 2HD LYS 56 HD1 LYS 56 -6.933 -6.685 5.820
430 1HE LYS 56 HE2 LYS 56 -9.314 -7.143 6.189
431 2HE LYS 56 HE1 LYS 56 -9.469 -7.756 4.530
432 1HZ LYS 56 HZ3 LYS 56 -7.485 -9.233 5.184
433 2HZ LYS 56 HZ2 LYS 56 -7.940 -8.893 6.785
434 3HZ LYS 56 HZ1 LYS 56 -9.028 -9.670 5.736
435 H LEU 57 HN LEU 57 -5.023 -2.055 3.520
436 HA LEU 57 HA LEU 57 -3.231 -2.926 1.392
437 1HB LEU 57 HB2 LEU 57 -3.548 -0.236 2.763
438 2HB LEU 57 HB1 LEU 57 -2.806 -0.516 1.191
439 HG LEU 57 HG LEU 57 -5.691 -1.208 1.816
440 1HD1 LEU 57 HD12 LEU 57 -4.420 1.343 1.419
441 2HD1 LEU 57 HD11 LEU 57 -5.463 0.995 0.041
442 3HD1 LEU 57 HD13 LEU 57 -6.130 0.996 1.674
443 1HD2 LEU 57 HD22 LEU 57 -4.363 -2.286 -0.154
444 2HD2 LEU 57 HD21 LEU 57 -5.924 -1.550 -0.517
445 3HD2 LEU 57 HD23 LEU 57 -4.433 -0.682 -0.882
446 H THR 58 HN THR 58 -2.722 -1.114 4.440
447 HA THR 58 HA THR 58 0.099 -1.303 4.547
448 HB THR 58 HB THR 58 -2.083 -1.235 6.651
449 HG1 THR 58 HG1 THR 58 -2.007 0.676 5.681
450 1HG2 THR 58 HG23 THR 58 0.114 -2.266 7.457
451 2HG2 THR 58 HG22 THR 58 0.847 -0.692 7.145
452 3HG2 THR 58 HG21 THR 58 -0.445 -0.843 8.336
453 H LYS 59 HN LYS 59 -2.428 -3.637 5.322
454 HA LYS 59 HA LYS 59 -0.719 -5.520 6.665
455 1HB LYS 59 HB2 LYS 59 -3.220 -5.277 6.857
456 2HB LYS 59 HB1 LYS 59 -3.351 -5.940 5.227
457 1HG LYS 59 HG2 LYS 59 -1.628 -7.618 6.818
458 2HG LYS 59 HG1 LYS 59 -3.164 -7.384 7.652
459 1HD LYS 59 HD2 LYS 59 -4.064 -7.798 5.129
460 2HD LYS 59 HD1 LYS 59 -2.596 -8.776 5.095
461 1HE LYS 59 HE2 LYS 59 -3.487 -9.648 7.434
462 2HE LYS 59 HE1 LYS 59 -5.052 -9.119 6.786
463 1HZ LYS 59 HZ1 LYS 59 -4.206 -10.286 4.649
464 2HZ LYS 59 HZ3 LYS 59 -3.185 -11.128 5.711
465 3HZ LYS 59 HZ2 LYS 59 -4.871 -11.224 5.900
466 H ALA 60 HN ALA 60 -1.757 -5.021 3.306
467 HA ALA 60 HA ALA 60 -0.752 -7.498 2.284
468 1HB ALA 60 HB2 ALA 60 -2.390 -5.757 1.288
469 2HB ALA 60 HB1 ALA 60 -0.942 -4.883 0.788
470 3HB ALA 60 HB3 ALA 60 -1.245 -6.509 0.177
471 H THR 61 HN THR 61 0.678 -4.288 2.746
472 HA THR 61 HA THR 61 3.174 -4.952 1.421
473 HB THR 61 HB THR 61 2.352 -2.645 1.616
474 HG1 THR 61 HG1 THR 61 4.284 -1.907 3.015
475 1HG2 THR 61 HG22 THR 61 2.535 -3.203 4.585
476 2HG2 THR 61 HG21 THR 61 2.393 -1.582 3.911
477 3HG2 THR 61 HG23 THR 61 1.100 -2.751 3.665
478 H ALA 62 HN ALA 62 1.903 -4.997 4.666
479 HA ALA 62 HA ALA 62 4.336 -5.587 6.059
480 1HB ALA 62 HB3 ALA 62 1.395 -5.733 6.513
481 2HB ALA 62 HB2 ALA 62 2.398 -6.721 7.575
482 3HB ALA 62 HB1 ALA 62 2.642 -4.976 7.505
483 H ASP 63 HN ASP 63 1.973 -7.507 4.297
484 HA ASP 63 HA ASP 63 3.275 -10.053 5.061
485 1HB ASP 63 HB2 ASP 63 0.748 -9.593 4.806
486 2HB ASP 63 HB1 ASP 63 1.046 -9.565 3.068
487 H ALA 64 HN ALA 64 3.667 -7.596 2.778
488 HA ALA 64 HA ALA 64 4.541 -9.300 0.544
489 1HB ALA 64 HB1 ALA 64 3.371 -7.067 0.355
490 2HB ALA 64 HB3 ALA 64 4.814 -6.314 1.031
491 3HB ALA 64 HB2 ALA 64 4.897 -7.138 -0.525
492 H GLY 65 HN GLY 65 5.856 -7.780 3.363
493 1HA GLY 65 HA2 GLY 65 8.120 -8.909 3.920
494 2HA GLY 65 HA1 GLY 65 8.630 -8.256 2.366
495 H TYR 66 HN TYR 66 6.465 -6.223 4.161
496 HA TYR 66 HA TYR 66 8.703 -4.764 5.456
497 1HB TYR 66 HB2 TYR 66 6.847 -3.448 3.465
498 2HB TYR 66 HB1 TYR 66 8.276 -2.749 4.216
499 HD1 TYR 66 HD1 TYR 66 10.516 -4.032 3.794
500 HD2 TYR 66 HD2 TYR 66 6.980 -4.377 1.405
501 HE1 TYR 66 HE1 TYR 66 11.885 -4.798 1.890
502 HE2 TYR 66 HE2 TYR 66 8.331 -5.140 -0.503
503 HH TYR 66 HH TYR 66 10.880 -6.415 -0.564
504 HA PRO 67 HA PRO 67 5.080 -4.429 8.200
505 1HB PRO 67 HB2 PRO 67 6.828 -3.050 10.033
506 2HB PRO 67 HB1 PRO 67 6.195 -4.693 10.173
507 1HG PRO 67 HG2 PRO 67 8.888 -3.891 9.580
508 2HG PRO 67 HG1 PRO 67 8.249 -5.532 9.717
509 1HD PRO 67 HD2 PRO 67 9.072 -4.155 7.320
510 2HD PRO 67 HD1 PRO 67 8.403 -5.800 7.457
511 H SER 68 HN SER 68 4.029 -2.799 6.914
512 HA SER 68 HA SER 68 5.167 -0.046 7.083
513 1HB SER 68 HB2 SER 68 4.820 -0.254 4.858
514 2HB SER 68 HB1 SER 68 3.877 -1.721 5.085
515 HG SER 68 HG SER 68 3.065 0.851 4.677
516 H SER 69 HN SER 69 3.084 1.525 6.576
517 HA SER 69 HA SER 69 0.849 0.951 8.437
518 1HB SER 69 HB2 SER 69 1.365 2.767 9.820
519 2HB SER 69 HB1 SER 69 2.981 2.194 9.419
520 HG SER 69 HG SER 69 2.661 4.479 9.105
521 H VAL 70 HN VAL 70 -0.133 3.630 8.253
522 HA VAL 70 HA VAL 70 -0.391 4.054 5.324
523 HB VAL 70 HB VAL 70 -2.030 2.458 6.480
524 1HG1 VAL 70 HG11 VAL 70 -2.286 4.413 8.312
525 2HG1 VAL 70 HG13 VAL 70 -3.602 4.876 7.233
526 3HG1 VAL 70 HG12 VAL 70 -3.587 3.272 7.967
527 1HG2 VAL 70 HG21 VAL 70 -2.343 4.416 4.417
528 2HG2 VAL 70 HG23 VAL 70 -3.163 2.862 4.568
529 3HG2 VAL 70 HG22 VAL 70 -3.870 4.306 5.291
530 H LYS 71 HN LYS 71 -1.297 6.175 4.770
531 HA LYS 71 HA LYS 71 -1.103 8.127 7.051
532 1HB LYS 71 HB2 LYS 71 -0.412 8.950 4.266
533 2HB LYS 71 HB1 LYS 71 0.300 9.472 5.790
534 1HG LYS 71 HG2 LYS 71 1.424 7.303 6.029
535 2HG LYS 71 HG1 LYS 71 0.695 6.750 4.521
536 1HD LYS 71 HD2 LYS 71 1.964 8.223 3.216
537 2HD LYS 71 HD1 LYS 71 2.330 9.271 4.588
538 1HE LYS 71 HE2 LYS 71 3.322 6.654 5.203
539 2HE LYS 71 HE1 LYS 71 3.904 7.103 3.588
540 1HZ LYS 71 HZ2 LYS 71 3.912 9.086 5.769
541 2HZ LYS 71 HZ1 LYS 71 5.179 7.959 5.652
542 3HZ LYS 71 HZ3 LYS 71 4.876 9.028 4.371
543 H GLN 72 HN GLN 72 -3.325 6.748 5.792
544 HA GLN 72 HA GLN 72 -5.017 8.010 4.047
545 1HB GLN 72 HB2 GLN 72 -6.828 7.188 5.455
546 2HB GLN 72 HB1 GLN 72 -5.482 6.054 5.571
547 1HG GLN 72 HG2 GLN 72 -4.749 7.097 7.665
548 2HG GLN 72 HG1 GLN 72 -6.051 8.281 7.547
549 1HE2 GLN 72 HE22 GLN 72 -7.555 5.811 9.736
550 2HE2 GLN 72 HE21 GLN 72 -6.517 7.153 9.786
No H/Q in entry = 550
Start of MODEL 16
1 1H ALA 1 HT2 ALA 1 17.999 3.442 0.761
2 2H ALA 1 HT1 ALA 1 18.512 3.613 -0.849
3 3H ALA 1 HT3 ALA 1 17.345 4.668 -0.216
4 HA ALA 1 HA ALA 1 16.159 3.123 -1.551
5 1HB ALA 1 HB1 ALA 1 18.377 1.613 -1.084
6 2HB ALA 1 HB3 ALA 1 17.204 0.785 -0.060
7 3HB ALA 1 HB2 ALA 1 16.893 0.968 -1.787
8 H THR 2 HN THR 2 14.683 4.287 -0.017
9 HA THR 2 HA THR 2 12.968 2.654 1.365
10 HB THR 2 HB THR 2 14.632 2.182 2.943
11 HG1 THR 2 HG1 THR 2 13.485 4.391 4.205
12 1HG2 THR 2 HG22 THR 2 16.067 4.180 2.107
13 2HG2 THR 2 HG21 THR 2 15.255 5.084 3.382
14 3HG2 THR 2 HG23 THR 2 16.237 3.678 3.787
15 H GLN 3 HN GLN 3 11.317 3.910 0.840
16 HA GLN 3 HA GLN 3 11.245 6.703 1.901
17 1HB GLN 3 HB2 GLN 3 10.397 7.429 -0.362
18 2HB GLN 3 HB1 GLN 3 12.076 6.890 -0.365
19 1HG GLN 3 HG2 GLN 3 11.618 5.142 -1.725
20 2HG GLN 3 HG1 GLN 3 10.189 4.693 -0.792
21 1HE2 GLN 3 HE22 GLN 3 8.871 5.771 -4.067
22 2HE2 GLN 3 HE21 GLN 3 9.752 4.460 -3.443
23 H THR 4 HN THR 4 8.944 7.640 1.429
24 HA THR 4 HA THR 4 6.942 5.492 2.031
25 HB THR 4 HB THR 4 6.871 8.448 2.703
26 HG1 THR 4 HG1 THR 4 7.846 7.959 4.557
27 1HG2 THR 4 HG23 THR 4 5.128 6.106 3.189
28 2HG2 THR 4 HG22 THR 4 5.406 7.144 4.587
29 3HG2 THR 4 HG21 THR 4 4.718 7.819 3.111
30 H VAL 5 HN VAL 5 5.267 5.274 0.608
31 HA VAL 5 HA VAL 5 4.727 7.490 -1.344
32 HB VAL 5 HB VAL 5 5.842 5.895 -2.620
33 1HG1 VAL 5 HG13 VAL 5 5.985 4.220 -0.750
34 2HG1 VAL 5 HG12 VAL 5 4.358 3.688 -1.171
35 3HG1 VAL 5 HG11 VAL 5 5.677 3.490 -2.323
36 1HG2 VAL 5 HG21 VAL 5 2.946 5.015 -2.685
37 2HG2 VAL 5 HG23 VAL 5 3.637 6.358 -3.596
38 3HG2 VAL 5 HG22 VAL 5 4.137 4.705 -3.949
39 H THR 6 HN THR 6 2.565 7.186 -2.313
40 HA THR 6 HA THR 6 0.628 6.268 -0.238
41 HB THR 6 HB THR 6 -0.773 7.858 -1.896
42 HG1 THR 6 HG1 THR 6 0.992 9.568 -2.302
43 1HG2 THR 6 HG21 THR 6 0.963 8.380 0.443
44 2HG2 THR 6 HG23 THR 6 0.432 9.802 -0.454
45 3HG2 THR 6 HG22 THR 6 -0.759 8.695 0.229
46 H LEU 7 HN LEU 7 -1.324 5.168 -1.176
47 HA LEU 7 HA LEU 7 -0.761 3.975 -3.852
48 1HB LEU 7 HB2 LEU 7 -0.815 2.788 -1.199
49 2HB LEU 7 HB1 LEU 7 -2.015 2.031 -2.246
50 HG LEU 7 HG LEU 7 -0.383 1.412 -3.848
51 1HD1 LEU 7 HD13 LEU 7 1.356 3.412 -2.444
52 2HD1 LEU 7 HD12 LEU 7 2.058 2.148 -3.454
53 3HD1 LEU 7 HD11 LEU 7 0.942 3.314 -4.151
54 1HD2 LEU 7 HD21 LEU 7 0.026 0.750 -1.081
55 2HD2 LEU 7 HD23 LEU 7 0.347 -0.249 -2.500
56 3HD2 LEU 7 HD22 LEU 7 1.590 0.840 -1.885
57 H ALA 8 HN ALA 8 -2.663 3.347 -4.995
58 HA ALA 8 HA ALA 8 -5.130 4.726 -3.999
59 1HB ALA 8 HB1 ALA 8 -4.000 5.446 -6.135
60 2HB ALA 8 HB3 ALA 8 -4.369 3.855 -6.801
61 3HB ALA 8 HB2 ALA 8 -5.678 4.947 -6.352
62 H VAL 9 HN VAL 9 -6.487 3.251 -3.056
63 HA VAL 9 HA VAL 9 -7.037 0.720 -4.560
64 HB VAL 9 HB VAL 9 -5.630 0.092 -2.724
65 1HG1 VAL 9 HG12 VAL 9 -7.083 2.291 -1.362
66 2HG1 VAL 9 HG11 VAL 9 -6.654 0.914 -0.349
67 3HG1 VAL 9 HG13 VAL 9 -5.397 1.796 -1.216
68 1HG2 VAL 9 HG22 VAL 9 -8.464 -0.524 -2.624
69 2HG2 VAL 9 HG21 VAL 9 -7.088 -1.573 -2.306
70 3HG2 VAL 9 HG23 VAL 9 -7.751 -0.576 -1.014
71 HA PRO 10 HA PRO 10 -10.942 3.012 -3.855
72 1HB PRO 10 HB2 PRO 10 -12.004 1.839 -6.202
73 2HB PRO 10 HB1 PRO 10 -11.331 3.463 -6.038
74 1HG PRO 10 HG2 PRO 10 -10.216 1.204 -7.449
75 2HG PRO 10 HG1 PRO 10 -9.596 2.855 -7.358
76 1HD PRO 10 HD2 PRO 10 -8.583 0.484 -6.027
77 2HD PRO 10 HD1 PRO 10 -7.909 2.133 -6.005
78 H GLY 11 HN GLY 11 -10.136 0.008 -3.088
79 1HA GLY 11 HA2 GLY 11 -12.306 -1.700 -3.552
80 2HA GLY 11 HA1 GLY 11 -11.324 -1.740 -2.086
81 H MET 12 HN MET 12 -11.930 0.921 -1.240
82 HA MET 12 HA MET 12 -13.435 1.652 0.487
83 1HB MET 12 HB2 MET 12 -15.025 3.000 -0.660
84 2HB MET 12 HB1 MET 12 -13.707 2.793 -1.812
85 1HG MET 12 HG2 MET 12 -15.121 0.678 -2.552
86 2HG MET 12 HG1 MET 12 -16.448 1.585 -1.830
87 1HE MET 12 HE3 MET 12 -17.641 3.137 -2.651
88 2HE MET 12 HE2 MET 12 -17.551 3.956 -4.209
89 3HE MET 12 HE1 MET 12 -17.875 2.225 -4.148
90 H THR 13 HN THR 13 -13.544 -1.055 0.697
91 HA THR 13 HA THR 13 -16.265 -2.069 0.332
92 HB THR 13 HB THR 13 -13.922 -3.232 0.274
93 HG1 THR 13 HG1 THR 13 -15.875 -4.357 0.112
94 1HG2 THR 13 HG22 THR 13 -13.863 -2.335 2.882
95 2HG2 THR 13 HG21 THR 13 -14.295 -4.036 3.052
96 3HG2 THR 13 HG23 THR 13 -12.822 -3.582 2.198
97 H CYS 14 HN CYS 14 -15.211 0.216 2.335
98 HA CYS 14 HA CYS 14 -16.228 1.141 4.253
99 1HB CYS 14 HB2 CYS 14 -18.050 -0.697 3.344
100 2HB CYS 14 HB1 CYS 14 -17.710 -1.312 4.961
101 HG CYS 14 HG CYS 14 -18.191 1.656 5.117
102 H ALA 15 HN ALA 15 -14.259 1.126 5.372
103 HA ALA 15 HA ALA 15 -12.800 0.551 7.128
104 1HB ALA 15 HB3 ALA 15 -15.493 -0.442 7.717
105 2HB ALA 15 HB2 ALA 15 -14.229 -1.299 8.600
106 3HB ALA 15 HB1 ALA 15 -14.376 0.452 8.748
107 H ALA 16 HN ALA 16 -12.398 -0.991 4.707
108 HA ALA 16 HA ALA 16 -11.031 -3.290 5.917
109 1HB ALA 16 HB3 ALA 16 -13.673 -3.501 4.733
110 2HB ALA 16 HB2 ALA 16 -12.516 -4.537 3.896
111 3HB ALA 16 HB1 ALA 16 -12.756 -4.708 5.635
112 H CYS 17 HN CYS 17 -12.083 -1.816 2.799
113 HA CYS 17 HA CYS 17 -10.220 -2.934 1.060
114 1HB CYS 17 HB2 CYS 17 -11.552 -1.476 -0.066
115 2HB CYS 17 HB1 CYS 17 -11.761 -0.445 1.341
116 HG CYS 17 HG CYS 17 -9.778 0.961 0.635
117 HA PRO 18 HA PRO 18 -6.864 0.240 2.433
118 1HB PRO 18 HB2 PRO 18 -7.488 1.604 4.793
119 2HB PRO 18 HB1 PRO 18 -7.658 2.242 3.154
120 1HG PRO 18 HG2 PRO 18 -9.746 1.407 5.034
121 2HG PRO 18 HG1 PRO 18 -9.890 2.372 3.561
122 1HD PRO 18 HD2 PRO 18 -10.654 -0.362 3.908
123 2HD PRO 18 HD1 PRO 18 -10.641 0.570 2.392
124 H ILE 19 HN ILE 19 -8.581 -1.726 4.746
125 HA ILE 19 HA ILE 19 -6.412 -1.874 6.703
126 HB ILE 19 HB ILE 19 -8.986 -3.384 6.181
127 1HG1 ILE 19 HG12 ILE 19 -8.086 -1.422 8.315
128 2HG1 ILE 19 HG11 ILE 19 -9.214 -1.083 7.002
129 1HG2 ILE 19 HG22 ILE 19 -6.740 -4.312 7.644
130 2HG2 ILE 19 HG21 ILE 19 -7.932 -3.784 8.832
131 3HG2 ILE 19 HG23 ILE 19 -8.366 -4.996 7.626
132 1HD1 ILE 19 HD11 ILE 19 -10.447 -3.225 8.043
133 2HD1 ILE 19 HD13 ILE 19 -9.628 -2.660 9.499
134 3HD1 ILE 19 HD12 ILE 19 -10.744 -1.594 8.644
135 H THR 20 HN THR 20 -7.607 -3.834 4.021
136 HA THR 20 HA THR 20 -5.685 -5.985 4.412
137 HB THR 20 HB THR 20 -7.991 -5.242 2.766
138 HG1 THR 20 HG1 THR 20 -8.473 -7.254 3.214
139 1HG2 THR 20 HG22 THR 20 -5.664 -6.641 1.441
140 2HG2 THR 20 HG21 THR 20 -7.318 -6.714 0.834
141 3HG2 THR 20 HG23 THR 20 -6.473 -5.168 0.907
142 H VAL 21 HN VAL 21 -6.113 -3.232 2.184
143 HA VAL 21 HA VAL 21 -3.792 -3.584 0.615
144 HB VAL 21 HB VAL 21 -5.423 -1.220 1.552
145 1HG1 VAL 21 HG11 VAL 21 -3.070 -1.183 -0.362
146 2HG1 VAL 21 HG13 VAL 21 -4.196 0.153 -0.120
147 3HG1 VAL 21 HG12 VAL 21 -3.153 -0.372 1.202
148 1HG2 VAL 21 HG23 VAL 21 -5.367 -3.070 -0.739
149 2HG2 VAL 21 HG22 VAL 21 -6.702 -2.107 -0.105
150 3HG2 VAL 21 HG21 VAL 21 -5.523 -1.374 -1.192
151 H LYS 22 HN LYS 22 -4.282 -1.983 3.740
152 HA LYS 22 HA LYS 22 -1.697 -0.884 4.114
153 1HB LYS 22 HB2 LYS 22 -3.278 -0.283 5.718
154 2HB LYS 22 HB1 LYS 22 -3.945 -1.911 5.814
155 1HG LYS 22 HG2 LYS 22 -2.442 -2.577 7.403
156 2HG LYS 22 HG1 LYS 22 -1.131 -1.623 6.711
157 1HD LYS 22 HD2 LYS 22 -2.094 0.428 7.644
158 2HD LYS 22 HD1 LYS 22 -3.462 -0.485 8.283
159 1HE LYS 22 HE2 LYS 22 -1.520 -1.921 9.423
160 2HE LYS 22 HE1 LYS 22 -0.631 -0.393 9.253
161 1HZ LYS 22 HZ2 LYS 22 -2.618 0.731 10.199
162 2HZ LYS 22 HZ1 LYS 22 -3.276 -0.797 10.544
163 3HZ LYS 22 HZ3 LYS 22 -1.837 -0.305 11.295
164 H LYS 23 HN LYS 23 -2.931 -4.044 5.266
165 HA LYS 23 HA LYS 23 -0.314 -5.034 5.997
166 1HB LYS 23 HB2 LYS 23 -1.561 -7.099 6.392
167 2HB LYS 23 HB1 LYS 23 -2.523 -5.729 6.950
168 1HG LYS 23 HG2 LYS 23 -3.975 -5.835 5.106
169 2HG LYS 23 HG1 LYS 23 -2.834 -6.771 4.143
170 1HD LYS 23 HD2 LYS 23 -4.183 -8.511 4.771
171 2HD LYS 23 HD1 LYS 23 -3.168 -8.474 6.214
172 1HE LYS 23 HE2 LYS 23 -5.878 -7.139 5.872
173 2HE LYS 23 HE1 LYS 23 -5.477 -8.482 6.960
174 1HZ LYS 23 HZ3 LYS 23 -3.720 -6.968 7.901
175 2HZ LYS 23 HZ2 LYS 23 -4.467 -5.697 7.058
176 3HZ LYS 23 HZ1 LYS 23 -5.320 -6.539 8.262
177 H ALA 24 HN ALA 24 -1.528 -4.456 2.943
178 HA ALA 24 HA ALA 24 -0.502 -6.906 1.704
179 1HB ALA 24 HB1 ALA 24 -2.412 -4.923 1.123
180 2HB ALA 24 HB3 ALA 24 -1.140 -4.707 -0.079
181 3HB ALA 24 HB2 ALA 24 -1.948 -6.266 0.079
182 H LEU 25 HN LEU 25 0.022 -3.507 0.896
183 HA LEU 25 HA LEU 25 2.652 -3.917 -0.138
184 1HB LEU 25 HB2 LEU 25 2.696 -1.343 0.136
185 2HB LEU 25 HB1 LEU 25 1.494 -2.034 -0.939
186 HG LEU 25 HG LEU 25 0.890 -0.190 0.867
187 1HD1 LEU 25 HD11 LEU 25 -0.830 -2.489 0.020
188 2HD1 LEU 25 HD13 LEU 25 -1.446 -1.071 0.861
189 3HD1 LEU 25 HD12 LEU 25 -0.688 -0.904 -0.717
190 1HD2 LEU 25 HD22 LEU 25 1.634 -1.638 2.771
191 2HD2 LEU 25 HD21 LEU 25 0.009 -0.990 2.905
192 3HD2 LEU 25 HD23 LEU 25 0.243 -2.666 2.440
193 H SER 26 HN SER 26 1.478 -3.862 3.039
194 HA SER 26 HA SER 26 3.968 -2.791 4.236
195 1HB SER 26 HB2 SER 26 1.711 -2.304 5.146
196 2HB SER 26 HB1 SER 26 1.464 -4.021 5.436
197 HG SER 26 HG SER 26 2.370 -3.579 7.284
198 H LYS 27 HN LYS 27 2.181 -5.927 4.131
199 HA LYS 27 HA LYS 27 4.346 -7.270 5.551
200 1HB LYS 27 HB2 LYS 27 2.617 -8.655 5.957
201 2HB LYS 27 HB1 LYS 27 1.624 -7.733 4.843
202 1HG LYS 27 HG2 LYS 27 3.510 -9.936 3.968
203 2HG LYS 27 HG1 LYS 27 1.795 -10.189 4.292
204 1HD LYS 27 HD2 LYS 27 1.807 -7.971 2.620
205 2HD LYS 27 HD1 LYS 27 3.082 -8.992 1.954
206 1HE LYS 27 HE2 LYS 27 0.203 -9.810 2.482
207 2HE LYS 27 HE1 LYS 27 0.999 -9.663 0.903
208 1HZ LYS 27 HZ3 LYS 27 2.721 -11.249 1.925
209 2HZ LYS 27 HZ2 LYS 27 1.506 -11.623 3.052
210 3HZ LYS 27 HZ1 LYS 27 1.248 -11.904 1.397
211 H VAL 28 HN VAL 28 4.042 -6.191 2.414
212 HA VAL 28 HA VAL 28 4.793 -7.935 0.509
213 HB VAL 28 HB VAL 28 5.986 -5.317 1.378
214 1HG1 VAL 28 HG11 VAL 28 6.902 -7.071 -0.904
215 2HG1 VAL 28 HG13 VAL 28 7.071 -5.317 -0.969
216 3HG1 VAL 28 HG12 VAL 28 7.887 -6.234 0.296
217 1HG2 VAL 28 HG22 VAL 28 3.689 -6.008 0.057
218 2HG2 VAL 28 HG21 VAL 28 4.481 -4.439 -0.082
219 3HG2 VAL 28 HG23 VAL 28 4.783 -5.688 -1.289
220 H GLU 29 HN GLU 29 7.642 -6.537 2.153
221 HA GLU 29 HA GLU 29 8.679 -8.959 3.252
222 1HB GLU 29 HB2 GLU 29 10.347 -9.410 1.368
223 2HB GLU 29 HB1 GLU 29 8.669 -9.827 1.025
224 1HG GLU 29 HG2 GLU 29 8.402 -8.102 -0.480
225 2HG GLU 29 HG1 GLU 29 9.569 -7.065 0.340
226 H GLY 30 HN GLY 30 9.392 -5.854 1.711
227 1HA GLY 30 HA2 GLY 30 11.745 -5.585 3.546
228 2HA GLY 30 HA1 GLY 30 11.671 -4.816 1.958
229 H VAL 31 HN VAL 31 8.620 -4.722 3.208
230 HA VAL 31 HA VAL 31 8.349 -1.948 3.445
231 HB VAL 31 HB VAL 31 6.979 -4.247 4.863
232 1HG1 VAL 31 HG11 VAL 31 6.713 -1.780 5.765
233 2HG1 VAL 31 HG13 VAL 31 5.698 -1.583 4.337
234 3HG1 VAL 31 HG12 VAL 31 5.289 -2.796 5.550
235 1HG2 VAL 31 HG21 VAL 31 7.057 -4.154 2.326
236 2HG2 VAL 31 HG23 VAL 31 5.438 -4.160 3.023
237 3HG2 VAL 31 HG22 VAL 31 6.139 -2.653 2.432
238 H SER 32 HN SER 32 8.421 -0.522 5.065
239 HA SER 32 HA SER 32 9.808 -1.355 7.584
240 1HB SER 32 HB2 SER 32 10.173 0.920 5.662
241 2HB SER 32 HB1 SER 32 10.583 1.170 7.357
242 HG SER 32 HG SER 32 12.128 -0.346 7.215
243 H LYS 33 HN LYS 33 7.036 0.011 6.174
244 HA LYS 33 HA LYS 33 5.776 0.477 8.732
245 1HB LYS 33 HB2 LYS 33 6.870 2.438 9.133
246 2HB LYS 33 HB1 LYS 33 7.366 2.611 7.458
247 1HG LYS 33 HG2 LYS 33 5.936 4.432 7.702
248 2HG LYS 33 HG1 LYS 33 4.815 3.231 7.079
249 1HD LYS 33 HD2 LYS 33 3.582 3.381 8.958
250 2HD LYS 33 HD1 LYS 33 4.986 2.951 9.935
251 1HE LYS 33 HE2 LYS 33 5.724 5.372 9.781
252 2HE LYS 33 HE1 LYS 33 4.151 5.729 9.041
253 1HZ LYS 33 HZ3 LYS 33 3.420 4.200 11.102
254 2HZ LYS 33 HZ2 LYS 33 4.776 4.973 11.775
255 3HZ LYS 33 HZ1 LYS 33 3.481 5.893 11.173
256 H VAL 34 HN VAL 34 3.596 1.639 8.379
257 HA VAL 34 HA VAL 34 2.572 1.913 5.674
258 HB VAL 34 HB VAL 34 2.902 -0.580 6.019
259 1HG1 VAL 34 HG12 VAL 34 1.546 0.054 8.453
260 2HG1 VAL 34 HG11 VAL 34 0.504 -1.021 7.522
261 3HG1 VAL 34 HG13 VAL 34 2.148 -1.517 7.923
262 1HG2 VAL 34 HG23 VAL 34 0.640 0.881 5.010
263 2HG2 VAL 34 HG22 VAL 34 1.305 -0.643 4.428
264 3HG2 VAL 34 HG21 VAL 34 0.076 -0.643 5.691
265 H ASP 35 HN ASP 35 0.319 2.574 5.686
266 HA ASP 35 HA ASP 35 -1.074 2.864 8.271
267 1HB ASP 35 HB2 ASP 35 0.690 4.838 7.278
268 2HB ASP 35 HB1 ASP 35 -0.937 5.449 6.972
269 H VAL 36 HN VAL 36 -3.295 3.831 7.879
270 HA VAL 36 HA VAL 36 -4.215 3.179 5.101
271 HB VAL 36 HB VAL 36 -6.429 2.865 6.366
272 1HG1 VAL 36 HG13 VAL 36 -4.557 1.100 5.728
273 2HG1 VAL 36 HG12 VAL 36 -4.351 1.014 7.478
274 3HG1 VAL 36 HG11 VAL 36 -5.914 0.635 6.754
275 1HG2 VAL 36 HG23 VAL 36 -5.086 4.124 8.395
276 2HG2 VAL 36 HG22 VAL 36 -6.511 3.112 8.630
277 3HG2 VAL 36 HG21 VAL 36 -4.899 2.433 8.857
278 H GLY 37 HN GLY 37 -5.420 4.708 3.983
279 1HA GLY 37 HA2 GLY 37 -6.135 7.222 5.429
280 2HA GLY 37 HA1 GLY 37 -5.326 7.287 3.862
281 H PHE 38 HN PHE 38 -8.217 5.836 5.395
282 HA PHE 38 HA PHE 38 -9.622 5.289 2.975
283 1HB PHE 38 HB2 PHE 38 -9.964 5.007 5.730
284 2HB PHE 38 HB1 PHE 38 -11.292 6.063 5.242
285 HD1 PHE 38 HD1 PHE 38 -11.554 5.057 2.379
286 HD2 PHE 38 HD2 PHE 38 -11.210 2.985 6.127
287 HE1 PHE 38 HE1 PHE 38 -12.751 3.113 1.413
288 HE2 PHE 38 HE2 PHE 38 -12.406 1.040 5.160
289 HZ PHE 38 HZ PHE 38 -13.188 1.106 2.809
290 H GLU 39 HN GLU 39 -8.899 8.292 4.494
291 HA GLU 39 HA GLU 39 -11.134 9.904 3.874
292 1HB GLU 39 HB2 GLU 39 -8.430 10.172 4.696
293 2HB GLU 39 HB1 GLU 39 -8.648 11.264 3.328
294 1HG GLU 39 HG2 GLU 39 -10.759 12.096 4.471
295 2HG GLU 39 HG1 GLU 39 -10.254 11.182 5.892
296 H LYS 40 HN LYS 40 -8.674 8.533 1.783
297 HA LYS 40 HA LYS 40 -10.158 9.590 -0.577
298 1HB LYS 40 HB2 LYS 40 -8.039 10.323 -1.573
299 2HB LYS 40 HB1 LYS 40 -8.253 11.100 -0.004
300 1HG LYS 40 HG2 LYS 40 -6.963 8.835 0.756
301 2HG LYS 40 HG1 LYS 40 -6.270 9.067 -0.849
302 1HD LYS 40 HD2 LYS 40 -6.480 11.468 0.909
303 2HD LYS 40 HD1 LYS 40 -5.247 10.272 1.314
304 1HE LYS 40 HE2 LYS 40 -4.123 10.552 -0.743
305 2HE LYS 40 HE1 LYS 40 -5.538 11.294 -1.516
306 1HZ LYS 40 HZ2 LYS 40 -4.558 12.575 0.907
307 2HZ LYS 40 HZ1 LYS 40 -3.568 12.729 -0.466
308 3HZ LYS 40 HZ3 LYS 40 -5.174 13.271 -0.516
309 H ARG 41 HN ARG 41 -10.024 6.925 0.649
310 HA ARG 41 HA ARG 41 -9.519 4.675 0.072
311 1HB ARG 41 HB2 ARG 41 -10.579 6.255 -2.121
312 2HB ARG 41 HB1 ARG 41 -9.593 4.926 -2.731
313 1HG ARG 41 HG2 ARG 41 -11.802 4.042 -2.500
314 2HG ARG 41 HG1 ARG 41 -10.884 3.410 -1.132
315 1HD ARG 41 HD2 ARG 41 -13.019 4.223 -0.287
316 2HD ARG 41 HD1 ARG 41 -11.767 5.367 0.235
317 HE ARG 41 HE ARG 41 -12.579 6.290 -2.273
318 1HH1 ARG 41 HH21 ARG 41 -14.065 5.557 0.759
319 2HH1 ARG 41 HH22 ARG 41 -15.312 6.745 0.581
320 1HH2 ARG 41 HH11 ARG 41 -14.201 7.843 -2.513
321 2HH2 ARG 41 HH12 ARG 41 -15.389 8.038 -1.268
322 H GLU 42 HN GLU 42 -7.130 5.776 0.714
323 HA GLU 42 HA GLU 42 -5.308 4.656 -1.362
324 1HB GLU 42 HB2 GLU 42 -5.251 6.926 -1.968
325 2HB GLU 42 HB1 GLU 42 -5.447 7.473 -0.304
326 1HG GLU 42 HG2 GLU 42 -3.016 5.881 -0.701
327 2HG GLU 42 HG1 GLU 42 -3.044 7.352 -1.674
328 H ALA 43 HN ALA 43 -3.317 3.871 -0.454
329 HA ALA 43 HA ALA 43 -3.275 3.843 2.551
330 1HB ALA 43 HB2 ALA 43 -3.615 1.758 0.880
331 2HB ALA 43 HB1 ALA 43 -1.852 1.800 0.906
332 3HB ALA 43 HB3 ALA 43 -2.751 1.599 2.410
333 H VAL 44 HN VAL 44 -1.336 4.479 3.551
334 HA VAL 44 HA VAL 44 0.819 5.441 1.707
335 HB VAL 44 HB VAL 44 -0.407 7.000 3.294
336 1HG1 VAL 44 HG13 VAL 44 -0.438 5.184 5.124
337 2HG1 VAL 44 HG12 VAL 44 1.231 5.655 5.445
338 3HG1 VAL 44 HG11 VAL 44 -0.070 6.831 5.634
339 1HG2 VAL 44 HG22 VAL 44 2.582 6.578 3.516
340 2HG2 VAL 44 HG21 VAL 44 1.725 7.717 2.477
341 3HG2 VAL 44 HG23 VAL 44 1.768 7.975 4.221
342 H VAL 45 HN VAL 45 2.384 3.922 1.512
343 HA VAL 45 HA VAL 45 3.137 2.343 3.953
344 HB VAL 45 HB VAL 45 2.072 1.411 1.733
345 1HG1 VAL 45 HG13 VAL 45 3.851 2.524 0.324
346 2HG1 VAL 45 HG12 VAL 45 5.003 1.372 0.999
347 3HG1 VAL 45 HG11 VAL 45 3.646 0.797 0.031
348 1HG2 VAL 45 HG22 VAL 45 2.855 0.051 3.646
349 2HG2 VAL 45 HG21 VAL 45 3.267 -0.715 2.111
350 3HG2 VAL 45 HG23 VAL 45 4.504 0.144 3.029
351 H THR 46 HN THR 46 5.224 2.337 4.596
352 HA THR 46 HA THR 46 7.236 3.873 2.992
353 HB THR 46 HB THR 46 6.711 3.333 5.912
354 HG1 THR 46 HG1 THR 46 6.521 5.446 5.964
355 1HG2 THR 46 HG23 THR 46 9.355 4.005 4.627
356 2HG2 THR 46 HG22 THR 46 8.992 4.473 6.289
357 3HG2 THR 46 HG21 THR 46 9.005 2.769 5.835
358 H PHE 47 HN PHE 47 9.424 2.776 2.851
359 HA PHE 47 HA PHE 47 9.733 0.098 3.912
360 1HB PHE 47 HB2 PHE 47 9.480 -1.080 1.767
361 2HB PHE 47 HB1 PHE 47 7.986 -0.230 2.172
362 HD1 PHE 47 HD2 PHE 47 11.110 -0.011 0.113
363 HD2 PHE 47 HD1 PHE 47 7.151 1.531 0.816
364 HE1 PHE 47 HE2 PHE 47 11.242 1.292 -1.982
365 HE2 PHE 47 HE1 PHE 47 7.293 2.833 -1.289
366 HZ PHE 47 HZ PHE 47 9.334 2.713 -2.687
367 H ASP 48 HN ASP 48 11.504 -1.042 2.473
368 HA ASP 48 HA ASP 48 13.644 0.997 1.977
369 1HB ASP 48 HB2 ASP 48 15.089 -1.150 2.323
370 2HB ASP 48 HB1 ASP 48 14.332 -0.427 3.741
371 H ASP 49 HN ASP 49 13.715 1.351 -0.204
372 HA ASP 49 HA ASP 49 12.649 -0.280 -2.223
373 1HB ASP 49 HB2 ASP 49 13.304 2.054 -2.499
374 2HB ASP 49 HB1 ASP 49 15.000 1.636 -2.249
375 H THR 50 HN THR 50 15.493 -0.825 -0.364
376 HA THR 50 HA THR 50 17.158 -2.217 -2.203
377 HB THR 50 HB THR 50 17.832 -3.353 0.067
378 HG1 THR 50 HG1 THR 50 15.821 -2.855 1.057
379 1HG2 THR 50 HG21 THR 50 18.247 -0.729 -1.060
380 2HG2 THR 50 HG23 THR 50 18.292 -0.641 0.701
381 3HG2 THR 50 HG22 THR 50 19.377 -1.736 -0.156
382 H LYS 51 HN LYS 51 14.383 -3.327 -0.261
383 HA LYS 51 HA LYS 51 14.613 -5.981 -1.641
384 1HB LYS 51 HB2 LYS 51 13.400 -5.348 1.060
385 2HB LYS 51 HB1 LYS 51 13.729 -6.949 0.398
386 1HG LYS 51 HG2 LYS 51 16.197 -5.884 0.192
387 2HG LYS 51 HG1 LYS 51 15.606 -4.967 1.578
388 1HD LYS 51 HD2 LYS 51 16.285 -6.784 2.771
389 2HD LYS 51 HD1 LYS 51 14.759 -7.480 2.224
390 1HE LYS 51 HE2 LYS 51 15.843 -9.020 0.964
391 2HE LYS 51 HE1 LYS 51 16.837 -7.766 0.195
392 1HZ LYS 51 HZ3 LYS 51 18.134 -7.658 2.288
393 2HZ LYS 51 HZ2 LYS 51 17.270 -9.004 2.861
394 3HZ LYS 51 HZ1 LYS 51 18.270 -9.152 1.496
395 H ALA 52 HN ALA 52 12.724 -3.201 -1.420
396 HA ALA 52 HA ALA 52 10.481 -4.578 -2.777
397 1HB ALA 52 HB3 ALA 52 10.040 -4.725 -0.339
398 2HB ALA 52 HB2 ALA 52 10.159 -2.969 -0.225
399 3HB ALA 52 HB1 ALA 52 8.852 -3.706 -1.152
400 H SER 53 HN SER 53 8.657 -2.545 -2.720
401 HA SER 53 HA SER 53 9.447 0.120 -3.106
402 1HB SER 53 HB2 SER 53 11.026 -0.532 -4.761
403 2HB SER 53 HB1 SER 53 9.938 -1.741 -5.437
404 HG SER 53 HG SER 53 10.228 0.827 -6.109
405 H VAL 54 HN VAL 54 7.774 1.256 -4.674
406 HA VAL 54 HA VAL 54 5.153 0.560 -3.998
407 HB VAL 54 HB VAL 54 4.655 1.921 -6.104
408 1HG1 VAL 54 HG12 VAL 54 6.621 2.953 -4.055
409 2HG1 VAL 54 HG11 VAL 54 5.667 3.977 -5.129
410 3HG1 VAL 54 HG13 VAL 54 4.862 2.971 -3.925
411 1HG2 VAL 54 HG21 VAL 54 6.882 1.089 -7.145
412 2HG2 VAL 54 HG23 VAL 54 6.423 2.771 -7.396
413 3HG2 VAL 54 HG22 VAL 54 7.627 2.359 -6.176
414 H GLN 55 HN GLN 55 7.192 -0.638 -6.633
415 HA GLN 55 HA GLN 55 5.343 -1.888 -8.313
416 1HB GLN 55 HB2 GLN 55 7.777 -1.876 -8.644
417 2HB GLN 55 HB1 GLN 55 7.997 -2.889 -7.217
418 1HG GLN 55 HG2 GLN 55 6.224 -4.401 -8.624
419 2HG GLN 55 HG1 GLN 55 7.113 -3.636 -9.942
420 1HE2 GLN 55 HE22 GLN 55 10.271 -4.989 -8.319
421 2HE2 GLN 55 HE21 GLN 55 9.654 -3.415 -8.461
422 H LYS 56 HN LYS 56 6.680 -3.062 -5.237
423 HA LYS 56 HA LYS 56 4.871 -5.380 -5.218
424 1HB LYS 56 HB2 LYS 56 7.415 -4.880 -4.334
425 2HB LYS 56 HB1 LYS 56 6.493 -4.717 -2.839
426 1HG LYS 56 HG2 LYS 56 7.051 -7.026 -2.967
427 2HG LYS 56 HG1 LYS 56 5.368 -6.934 -3.484
428 1HD LYS 56 HD2 LYS 56 5.898 -7.801 -5.489
429 2HD LYS 56 HD1 LYS 56 7.074 -6.515 -5.760
430 1HE LYS 56 HE2 LYS 56 8.585 -8.244 -5.713
431 2HE LYS 56 HE1 LYS 56 8.417 -8.086 -3.953
432 1HZ LYS 56 HZ2 LYS 56 6.551 -9.630 -4.032
433 2HZ LYS 56 HZ1 LYS 56 6.747 -9.809 -5.710
434 3HZ LYS 56 HZ3 LYS 56 7.955 -10.356 -4.654
435 H LEU 57 HN LEU 57 4.901 -2.115 -3.857
436 HA LEU 57 HA LEU 57 3.095 -2.758 -1.656
437 1HB LEU 57 HB2 LEU 57 3.497 -0.121 -3.102
438 2HB LEU 57 HB1 LEU 57 2.905 -0.350 -1.460
439 HG LEU 57 HG LEU 57 5.668 -1.153 -2.386
440 1HD1 LEU 57 HD12 LEU 57 4.498 1.404 -1.547
441 2HD1 LEU 57 HD11 LEU 57 5.902 0.932 -0.589
442 3HD1 LEU 57 HD13 LEU 57 6.040 1.083 -2.341
443 1HD2 LEU 57 HD21 LEU 57 4.370 -2.179 -0.293
444 2HD2 LEU 57 HD23 LEU 57 6.080 -1.764 -0.184
445 3HD2 LEU 57 HD22 LEU 57 4.862 -0.660 0.456
446 H THR 58 HN THR 58 2.582 -0.846 -4.640
447 HA THR 58 HA THR 58 -0.255 -0.968 -4.628
448 HB THR 58 HB THR 58 1.913 -0.602 -6.686
449 HG1 THR 58 HG1 THR 58 1.026 0.998 -5.103
450 1HG2 THR 58 HG22 THR 58 0.066 -1.832 -7.817
451 2HG2 THR 58 HG21 THR 58 -1.059 -0.582 -7.286
452 3HG2 THR 58 HG23 THR 58 0.237 -0.182 -8.414
453 H LYS 59 HN LYS 59 2.176 -3.326 -5.605
454 HA LYS 59 HA LYS 59 0.365 -5.027 -7.070
455 1HB LYS 59 HB2 LYS 59 2.715 -5.103 -7.543
456 2HB LYS 59 HB1 LYS 59 3.111 -5.334 -5.840
457 1HG LYS 59 HG2 LYS 59 2.695 -7.570 -5.919
458 2HG LYS 59 HG1 LYS 59 1.285 -7.365 -6.959
459 1HD LYS 59 HD2 LYS 59 4.008 -6.846 -8.100
460 2HD LYS 59 HD1 LYS 59 3.470 -8.514 -7.901
461 1HE LYS 59 HE2 LYS 59 1.274 -7.122 -9.026
462 2HE LYS 59 HE1 LYS 59 2.708 -6.629 -9.947
463 1HZ LYS 59 HZ3 LYS 59 3.310 -9.115 -9.793
464 2HZ LYS 59 HZ2 LYS 59 1.658 -9.344 -9.471
465 3HZ LYS 59 HZ1 LYS 59 2.152 -8.633 -10.933
466 H ALA 60 HN ALA 60 1.431 -4.741 -3.716
467 HA ALA 60 HA ALA 60 0.368 -7.252 -2.819
468 1HB ALA 60 HB3 ALA 60 2.103 -5.590 -1.791
469 2HB ALA 60 HB2 ALA 60 0.684 -4.775 -1.136
470 3HB ALA 60 HB1 ALA 60 1.019 -6.450 -0.698
471 H THR 61 HN THR 61 -0.912 -3.967 -3.094
472 HA THR 61 HA THR 61 -3.416 -4.562 -1.740
473 HB THR 61 HB THR 61 -2.497 -2.290 -1.848
474 HG1 THR 61 HG1 THR 61 -4.341 -1.260 -2.653
475 1HG2 THR 61 HG22 THR 61 -2.692 -2.731 -4.835
476 2HG2 THR 61 HG21 THR 61 -2.506 -1.134 -4.114
477 3HG2 THR 61 HG23 THR 61 -1.251 -2.352 -3.894
478 H ALA 62 HN ALA 62 -2.189 -4.540 -4.992
479 HA ALA 62 HA ALA 62 -4.669 -4.936 -6.384
480 1HB ALA 62 HB2 ALA 62 -1.795 -5.683 -7.028
481 2HB ALA 62 HB1 ALA 62 -3.111 -5.670 -8.202
482 3HB ALA 62 HB3 ALA 62 -2.590 -4.165 -7.445
483 H ASP 63 HN ASP 63 -2.359 -7.063 -4.782
484 HA ASP 63 HA ASP 63 -3.774 -9.494 -5.699
485 1HB ASP 63 HB2 ASP 63 -1.315 -8.869 -4.048
486 2HB ASP 63 HB1 ASP 63 -1.931 -10.515 -4.200
487 H ALA 64 HN ALA 64 -4.005 -7.214 -3.194
488 HA ALA 64 HA ALA 64 -4.917 -9.029 -1.084
489 1HB ALA 64 HB2 ALA 64 -4.107 -6.315 -1.410
490 2HB ALA 64 HB1 ALA 64 -5.756 -6.286 -0.785
491 3HB ALA 64 HB3 ALA 64 -4.492 -7.143 0.098
492 H GLY 65 HN GLY 65 -6.272 -7.131 -3.703
493 1HA GLY 65 HA2 GLY 65 -8.477 -8.315 -4.446
494 2HA GLY 65 HA1 GLY 65 -9.015 -7.883 -2.827
495 H TYR 66 HN TYR 66 -6.946 -5.692 -4.679
496 HA TYR 66 HA TYR 66 -9.315 -4.078 -5.468
497 1HB TYR 66 HB2 TYR 66 -7.098 -3.042 -3.686
498 2HB TYR 66 HB1 TYR 66 -8.537 -2.163 -4.193
499 HD1 TYR 66 HD1 TYR 66 -10.814 -3.317 -3.628
500 HD2 TYR 66 HD2 TYR 66 -7.082 -4.124 -1.693
501 HE1 TYR 66 HE1 TYR 66 -12.032 -4.166 -1.656
502 HE2 TYR 66 HE2 TYR 66 -8.282 -4.968 0.284
503 HH TYR 66 HH TYR 66 -11.411 -5.890 0.289
504 HA PRO 67 HA PRO 67 -6.285 -3.555 -8.806
505 1HB PRO 67 HB2 PRO 67 -8.182 -1.738 -10.008
506 2HB PRO 67 HB1 PRO 67 -7.783 -3.380 -10.525
507 1HG PRO 67 HG2 PRO 67 -10.198 -2.471 -9.262
508 2HG PRO 67 HG1 PRO 67 -9.793 -4.111 -9.778
509 1HD PRO 67 HD2 PRO 67 -9.976 -3.113 -7.083
510 2HD PRO 67 HD1 PRO 67 -9.519 -4.753 -7.606
511 H SER 68 HN SER 68 -4.842 -2.283 -7.503
512 HA SER 68 HA SER 68 -5.657 0.536 -6.979
513 1HB SER 68 HB2 SER 68 -3.903 -1.525 -5.721
514 2HB SER 68 HB1 SER 68 -3.493 0.167 -5.459
515 HG SER 68 HG SER 68 -6.043 -1.007 -5.024
516 H SER 69 HN SER 69 -3.225 1.667 -6.535
517 HA SER 69 HA SER 69 -1.389 1.304 -8.795
518 1HB SER 69 HB2 SER 69 -3.512 2.655 -9.498
519 2HB SER 69 HB1 SER 69 -2.836 3.940 -8.501
520 HG SER 69 HG SER 69 -2.116 4.138 -10.636
521 H VAL 70 HN VAL 70 -0.037 3.717 -8.583
522 HA VAL 70 HA VAL 70 0.429 4.063 -5.666
523 HB VAL 70 HB VAL 70 1.830 2.335 -6.989
524 1HG1 VAL 70 HG13 VAL 70 2.219 4.194 -8.802
525 2HG1 VAL 70 HG12 VAL 70 3.496 4.733 -7.711
526 3HG1 VAL 70 HG11 VAL 70 3.542 3.104 -8.386
527 1HG2 VAL 70 HG22 VAL 70 2.440 4.154 -4.855
528 2HG2 VAL 70 HG21 VAL 70 3.054 2.518 -5.102
529 3HG2 VAL 70 HG23 VAL 70 3.902 3.896 -5.804
530 H LYS 71 HN LYS 71 1.513 6.060 -5.104
531 HA LYS 71 HA LYS 71 1.507 8.082 -7.328
532 1HB LYS 71 HB2 LYS 71 0.974 8.946 -4.528
533 2HB LYS 71 HB1 LYS 71 0.254 9.526 -6.026
534 1HG LYS 71 HG2 LYS 71 -1.126 7.520 -6.185
535 2HG LYS 71 HG1 LYS 71 -0.353 6.845 -4.751
536 1HD LYS 71 HD2 LYS 71 -1.811 7.926 -3.436
537 2HD LYS 71 HD1 LYS 71 -1.283 9.469 -4.107
538 1HE LYS 71 HE2 LYS 71 -2.859 9.137 -6.024
539 2HE LYS 71 HE1 LYS 71 -3.449 7.659 -5.238
540 1HZ LYS 71 HZ1 LYS 71 -3.962 8.953 -3.262
541 2HZ LYS 71 HZ3 LYS 71 -3.415 10.369 -4.017
542 3HZ LYS 71 HZ2 LYS 71 -4.795 9.574 -4.607
543 H GLN 72 HN GLN 72 3.560 6.392 -6.130
544 HA GLN 72 HA GLN 72 5.808 6.561 -5.369
545 1HB GLN 72 HB2 GLN 72 5.156 9.109 -6.840
546 2HB GLN 72 HB1 GLN 72 6.761 8.877 -6.144
547 1HG GLN 72 HG2 GLN 72 7.302 7.707 -7.992
548 2HG GLN 72 HG1 GLN 72 6.180 6.459 -7.447
549 1HE2 GLN 72 HE22 GLN 72 5.226 8.729 -10.653
550 2HE2 GLN 72 HE21 GLN 72 6.728 8.864 -9.872
No H/Q in entry = 550
Start of MODEL 17
1 1H ALA 1 HT3 ALA 1 17.439 4.848 -0.009
2 2H ALA 1 HT2 ALA 1 18.130 3.510 0.779
3 3H ALA 1 HT1 ALA 1 18.447 3.786 -0.867
4 HA ALA 1 HA ALA 1 16.160 3.324 -1.447
5 1HB ALA 1 HB2 ALA 1 18.108 1.608 -0.851
6 2HB ALA 1 HB1 ALA 1 16.980 1.134 0.420
7 3HB ALA 1 HB3 ALA 1 16.494 1.035 -1.273
8 H THR 2 HN THR 2 14.887 4.911 -0.080
9 HA THR 2 HA THR 2 13.235 3.502 1.892
10 HB THR 2 HB THR 2 13.668 5.961 3.043
11 HG1 THR 2 HG1 THR 2 16.246 5.056 2.564
12 1HG2 THR 2 HG21 THR 2 14.877 3.249 3.518
13 2HG2 THR 2 HG23 THR 2 15.235 4.605 4.586
14 3HG2 THR 2 HG22 THR 2 13.574 4.040 4.404
15 H GLN 3 HN GLN 3 11.656 3.776 0.169
16 HA GLN 3 HA GLN 3 10.959 6.625 -0.451
17 1HB GLN 3 HB2 GLN 3 10.827 4.009 -1.899
18 2HB GLN 3 HB1 GLN 3 9.715 5.296 -2.367
19 1HG GLN 3 HG2 GLN 3 11.432 6.717 -3.053
20 2HG GLN 3 HG1 GLN 3 12.631 5.926 -2.030
21 1HE2 GLN 3 HE22 GLN 3 11.583 3.551 -5.189
22 2HE2 GLN 3 HE21 GLN 3 10.394 4.122 -4.120
23 H THR 4 HN THR 4 8.806 7.298 -0.428
24 HA THR 4 HA THR 4 6.838 5.502 0.951
25 HB THR 4 HB THR 4 7.363 8.483 1.240
26 HG1 THR 4 HG1 THR 4 8.170 7.948 3.172
27 1HG2 THR 4 HG22 THR 4 4.925 7.750 1.342
28 2HG2 THR 4 HG21 THR 4 5.362 6.811 2.769
29 3HG2 THR 4 HG23 THR 4 5.538 8.566 2.781
30 H VAL 5 HN VAL 5 5.116 5.140 -0.416
31 HA VAL 5 HA VAL 5 4.391 7.289 -2.389
32 HB VAL 5 HB VAL 5 5.481 5.681 -3.667
33 1HG1 VAL 5 HG13 VAL 5 5.771 4.059 -1.786
34 2HG1 VAL 5 HG12 VAL 5 4.118 3.506 -2.056
35 3HG1 VAL 5 HG11 VAL 5 5.342 3.270 -3.302
36 1HG2 VAL 5 HG21 VAL 5 3.219 6.069 -4.548
37 2HG2 VAL 5 HG23 VAL 5 3.755 4.428 -4.884
38 3HG2 VAL 5 HG22 VAL 5 2.613 4.727 -3.578
39 H THR 6 HN THR 6 2.182 6.863 -3.266
40 HA THR 6 HA THR 6 0.351 6.055 -1.056
41 HB THR 6 HB THR 6 -1.158 7.451 -2.795
42 HG1 THR 6 HG1 THR 6 1.299 8.738 -3.119
43 1HG2 THR 6 HG23 THR 6 0.800 8.453 -0.741
44 2HG2 THR 6 HG22 THR 6 -0.301 9.554 -1.570
45 3HG2 THR 6 HG21 THR 6 -0.944 8.242 -0.580
46 H LEU 7 HN LEU 7 -1.583 4.787 -1.816
47 HA LEU 7 HA LEU 7 -1.036 3.384 -4.395
48 1HB LEU 7 HB2 LEU 7 -1.114 2.460 -1.623
49 2HB LEU 7 HB1 LEU 7 -2.224 1.551 -2.651
50 HG LEU 7 HG LEU 7 -0.498 0.854 -4.094
51 1HD1 LEU 7 HD13 LEU 7 1.086 3.102 -2.886
52 2HD1 LEU 7 HD12 LEU 7 1.871 1.795 -3.773
53 3HD1 LEU 7 HD11 LEU 7 0.694 2.821 -4.578
54 1HD2 LEU 7 HD23 LEU 7 -0.214 0.446 -1.306
55 2HD2 LEU 7 HD22 LEU 7 0.412 -0.577 -2.599
56 3HD2 LEU 7 HD21 LEU 7 1.410 0.716 -1.936
57 H ALA 8 HN ALA 8 -2.945 2.536 -5.413
58 HA ALA 8 HA ALA 8 -5.422 4.014 -4.584
59 1HB ALA 8 HB1 ALA 8 -4.004 4.070 -6.914
60 2HB ALA 8 HB3 ALA 8 -5.196 2.825 -7.288
61 3HB ALA 8 HB2 ALA 8 -5.726 4.438 -6.810
62 H VAL 9 HN VAL 9 -6.496 2.506 -3.279
63 HA VAL 9 HA VAL 9 -7.028 -0.194 -4.482
64 HB VAL 9 HB VAL 9 -5.839 -0.410 -2.419
65 1HG1 VAL 9 HG13 VAL 9 -7.520 1.933 -1.627
66 2HG1 VAL 9 HG12 VAL 9 -6.986 0.834 -0.356
67 3HG1 VAL 9 HG11 VAL 9 -5.798 1.651 -1.372
68 1HG2 VAL 9 HG22 VAL 9 -8.653 -1.089 -2.506
69 2HG2 VAL 9 HG21 VAL 9 -7.319 -1.983 -1.778
70 3HG2 VAL 9 HG23 VAL 9 -8.161 -0.743 -0.849
71 HA PRO 10 HA PRO 10 -11.039 2.057 -4.540
72 1HB PRO 10 HB2 PRO 10 -11.784 0.812 -6.931
73 2HB PRO 10 HB1 PRO 10 -11.005 2.392 -6.790
74 1HG PRO 10 HG2 PRO 10 -9.887 -0.115 -7.785
75 2HG PRO 10 HG1 PRO 10 -9.229 1.520 -7.903
76 1HD PRO 10 HD2 PRO 10 -8.374 -0.600 -6.144
77 2HD PRO 10 HD1 PRO 10 -7.737 1.059 -6.244
78 H GLY 11 HN GLY 11 -10.680 -0.316 -2.893
79 1HA GLY 11 HA2 GLY 11 -12.743 -2.206 -3.859
80 2HA GLY 11 HA1 GLY 11 -11.730 -2.424 -2.432
81 H MET 12 HN MET 12 -12.203 0.246 -1.386
82 HA MET 12 HA MET 12 -13.654 1.035 0.345
83 1HB MET 12 HB2 MET 12 -14.918 1.101 -2.372
84 2HB MET 12 HB1 MET 12 -15.919 1.568 -0.997
85 1HG MET 12 HG2 MET 12 -13.262 2.759 -0.857
86 2HG MET 12 HG1 MET 12 -14.107 3.209 -2.338
87 1HE MET 12 HE2 MET 12 -16.482 3.906 -2.450
88 2HE MET 12 HE1 MET 12 -17.225 2.904 -1.206
89 3HE MET 12 HE3 MET 12 -17.427 4.661 -1.169
90 H THR 13 HN THR 13 -13.519 -1.751 0.477
91 HA THR 13 HA THR 13 -16.019 -3.114 0.366
92 HB THR 13 HB THR 13 -13.513 -3.832 0.720
93 HG1 THR 13 HG1 THR 13 -15.056 -5.381 0.544
94 1HG2 THR 13 HG23 THR 13 -13.904 -2.543 3.118
95 2HG2 THR 13 HG22 THR 13 -14.128 -4.240 3.544
96 3HG2 THR 13 HG21 THR 13 -12.631 -3.712 2.777
97 H CYS 14 HN CYS 14 -14.970 -0.567 2.356
98 HA CYS 14 HA CYS 14 -16.257 0.650 3.932
99 1HB CYS 14 HB2 CYS 14 -18.087 -1.106 2.975
100 2HB CYS 14 HB1 CYS 14 -17.954 -1.680 4.637
101 HG CYS 14 HG CYS 14 -18.330 1.039 5.202
102 H ALA 15 HN ALA 15 -14.459 0.681 5.292
103 HA ALA 15 HA ALA 15 -13.464 0.358 7.411
104 1HB ALA 15 HB2 ALA 15 -16.071 -0.563 7.619
105 2HB ALA 15 HB1 ALA 15 -15.115 -1.932 8.185
106 3HB ALA 15 HB3 ALA 15 -14.947 -0.358 8.962
107 H ALA 16 HN ALA 16 -12.818 -1.357 4.884
108 HA ALA 16 HA ALA 16 -11.066 -3.215 6.403
109 1HB ALA 16 HB1 ALA 16 -13.533 -4.006 5.244
110 2HB ALA 16 HB3 ALA 16 -12.250 -4.711 4.259
111 3HB ALA 16 HB2 ALA 16 -12.312 -5.034 5.990
112 H CYS 17 HN CYS 17 -12.049 -1.956 3.191
113 HA CYS 17 HA CYS 17 -9.953 -2.821 1.578
114 1HB CYS 17 HB2 CYS 17 -11.941 -0.955 1.438
115 2HB CYS 17 HB1 CYS 17 -10.503 0.069 1.428
116 HG CYS 17 HG CYS 17 -10.038 -0.672 -0.880
117 HA PRO 18 HA PRO 18 -7.101 0.670 3.350
118 1HB PRO 18 HB2 PRO 18 -8.041 1.480 5.916
119 2HB PRO 18 HB1 PRO 18 -8.028 2.434 4.429
120 1HG PRO 18 HG2 PRO 18 -10.301 1.352 5.810
121 2HG PRO 18 HG1 PRO 18 -10.285 2.305 4.324
122 1HD PRO 18 HD2 PRO 18 -10.786 -0.535 4.635
123 2HD PRO 18 HD1 PRO 18 -10.893 0.446 3.157
124 H ILE 19 HN ILE 19 -8.685 -1.573 5.572
125 HA ILE 19 HA ILE 19 -6.466 -1.858 7.408
126 HB ILE 19 HB ILE 19 -8.829 -3.636 6.733
127 1HG1 ILE 19 HG12 ILE 19 -9.482 -1.352 7.407
128 2HG1 ILE 19 HG11 ILE 19 -9.896 -2.517 8.664
129 1HG2 ILE 19 HG21 ILE 19 -6.757 -4.509 8.104
130 2HG2 ILE 19 HG23 ILE 19 -7.460 -3.537 9.397
131 3HG2 ILE 19 HG22 ILE 19 -8.394 -4.843 8.669
132 1HD1 ILE 19 HD13 ILE 19 -7.333 -1.816 9.370
133 2HD1 ILE 19 HD12 ILE 19 -7.963 -0.299 8.728
134 3HD1 ILE 19 HD11 ILE 19 -8.794 -1.106 10.057
135 H THR 20 HN THR 20 -7.443 -3.490 4.446
136 HA THR 20 HA THR 20 -5.497 -5.648 4.732
137 HB THR 20 HB THR 20 -7.839 -4.964 3.252
138 HG1 THR 20 HG1 THR 20 -7.134 -6.969 4.298
139 1HG2 THR 20 HG22 THR 20 -5.410 -5.458 1.542
140 2HG2 THR 20 HG21 THR 20 -7.020 -5.924 0.999
141 3HG2 THR 20 HG23 THR 20 -6.661 -4.233 1.347
142 H VAL 21 HN VAL 21 -5.937 -2.879 2.511
143 HA VAL 21 HA VAL 21 -3.501 -3.106 1.134
144 HB VAL 21 HB VAL 21 -5.018 -0.628 2.011
145 1HG1 VAL 21 HG13 VAL 21 -3.039 -1.086 -0.243
146 2HG1 VAL 21 HG12 VAL 21 -3.992 0.382 -0.026
147 3HG1 VAL 21 HG11 VAL 21 -2.786 -0.074 1.178
148 1HG2 VAL 21 HG21 VAL 21 -5.731 -2.787 0.281
149 2HG2 VAL 21 HG23 VAL 21 -6.625 -1.297 0.582
150 3HG2 VAL 21 HG22 VAL 21 -5.440 -1.366 -0.723
151 H LYS 22 HN LYS 22 -4.263 -1.439 4.172
152 HA LYS 22 HA LYS 22 -1.726 -0.285 4.693
153 1HB LYS 22 HB2 LYS 22 -3.671 0.219 6.034
154 2HB LYS 22 HB1 LYS 22 -3.878 -1.478 6.469
155 1HG LYS 22 HG2 LYS 22 -2.483 -1.244 8.219
156 2HG LYS 22 HG1 LYS 22 -1.212 -0.628 7.162
157 1HD LYS 22 HD2 LYS 22 -2.122 1.629 7.311
158 2HD LYS 22 HD1 LYS 22 -3.489 1.048 8.262
159 1HE LYS 22 HE2 LYS 22 -0.783 0.367 9.312
160 2HE LYS 22 HE1 LYS 22 -1.271 2.069 9.421
161 1HZ LYS 22 HZ2 LYS 22 -3.514 0.583 10.064
162 2HZ LYS 22 HZ1 LYS 22 -2.235 -0.152 10.907
163 3HZ LYS 22 HZ3 LYS 22 -2.557 1.498 11.128
164 H LYS 23 HN LYS 23 -2.968 -3.372 6.026
165 HA LYS 23 HA LYS 23 -0.304 -4.265 6.776
166 1HB LYS 23 HB2 LYS 23 -1.485 -6.106 7.683
167 2HB LYS 23 HB1 LYS 23 -2.628 -4.770 7.799
168 1HG LYS 23 HG2 LYS 23 -4.090 -6.042 6.646
169 2HG LYS 23 HG1 LYS 23 -3.044 -5.841 5.240
170 1HD LYS 23 HD2 LYS 23 -1.725 -7.821 5.972
171 2HD LYS 23 HD1 LYS 23 -2.849 -8.045 7.312
172 1HE LYS 23 HE2 LYS 23 -4.708 -8.383 5.743
173 2HE LYS 23 HE1 LYS 23 -3.621 -8.086 4.371
174 1HZ LYS 23 HZ1 LYS 23 -2.805 -10.052 6.381
175 2HZ LYS 23 HZ3 LYS 23 -4.016 -10.509 5.285
176 3HZ LYS 23 HZ2 LYS 23 -2.494 -10.020 4.711
177 H ALA 24 HN ALA 24 -1.542 -3.952 3.730
178 HA ALA 24 HA ALA 24 -0.802 -6.597 2.723
179 1HB ALA 24 HB3 ALA 24 -1.639 -3.979 1.445
180 2HB ALA 24 HB2 ALA 24 -1.384 -5.472 0.541
181 3HB ALA 24 HB1 ALA 24 -2.672 -5.376 1.743
182 H LEU 25 HN LEU 25 0.161 -3.348 1.801
183 HA LEU 25 HA LEU 25 2.773 -4.213 0.896
184 1HB LEU 25 HB2 LEU 25 3.059 -1.613 0.800
185 2HB LEU 25 HB1 LEU 25 1.940 -2.388 -0.306
186 HG LEU 25 HG LEU 25 1.240 -0.247 1.020
187 1HD1 LEU 25 HD11 LEU 25 -0.500 -2.636 0.543
188 2HD1 LEU 25 HD13 LEU 25 -1.136 -1.081 1.074
189 3HD1 LEU 25 HD12 LEU 25 -0.285 -1.212 -0.458
190 1HD2 LEU 25 HD21 LEU 25 1.835 -1.344 3.228
191 2HD2 LEU 25 HD23 LEU 25 0.297 -0.498 3.133
192 3HD2 LEU 25 HD22 LEU 25 0.339 -2.251 3.053
193 H SER 26 HN SER 26 1.410 -3.475 3.918
194 HA SER 26 HA SER 26 3.899 -2.464 5.144
195 1HB SER 26 HB2 SER 26 1.680 -1.698 5.880
196 2HB SER 26 HB1 SER 26 1.226 -3.353 6.271
197 HG SER 26 HG SER 26 3.364 -3.126 7.570
198 H LYS 27 HN LYS 27 2.102 -5.555 4.918
199 HA LYS 27 HA LYS 27 4.046 -6.785 6.772
200 1HB LYS 27 HB2 LYS 27 2.223 -8.017 7.249
201 2HB LYS 27 HB1 LYS 27 1.346 -7.223 5.957
202 1HG LYS 27 HG2 LYS 27 3.224 -9.513 5.387
203 2HG LYS 27 HG1 LYS 27 1.549 -9.797 5.854
204 1HD LYS 27 HD2 LYS 27 1.562 -7.769 3.844
205 2HD LYS 27 HD1 LYS 27 2.564 -9.104 3.274
206 1HE LYS 27 HE2 LYS 27 -0.031 -9.831 4.563
207 2HE LYS 27 HE1 LYS 27 -0.100 -9.123 2.937
208 1HZ LYS 27 HZ2 LYS 27 1.960 -10.758 2.646
209 2HZ LYS 27 HZ1 LYS 27 1.093 -11.634 3.815
210 3HZ LYS 27 HZ3 LYS 27 0.362 -11.244 2.336
211 H VAL 28 HN VAL 28 3.823 -6.201 3.441
212 HA VAL 28 HA VAL 28 4.745 -8.401 2.059
213 HB VAL 28 HB VAL 28 5.486 -5.484 2.054
214 1HG1 VAL 28 HG13 VAL 28 6.973 -7.686 0.742
215 2HG1 VAL 28 HG12 VAL 28 6.541 -6.338 -0.308
216 3HG1 VAL 28 HG11 VAL 28 7.503 -6.052 1.141
217 1HG2 VAL 28 HG23 VAL 28 3.313 -6.505 1.127
218 2HG2 VAL 28 HG22 VAL 28 4.213 -5.437 0.050
219 3HG2 VAL 28 HG21 VAL 28 4.319 -7.186 -0.151
220 H GLU 29 HN GLU 29 7.288 -6.138 3.005
221 HA GLU 29 HA GLU 29 8.754 -7.767 4.818
222 1HB GLU 29 HB2 GLU 29 8.809 -8.515 1.978
223 2HB GLU 29 HB1 GLU 29 10.420 -8.285 2.660
224 1HG GLU 29 HG2 GLU 29 8.777 -9.716 4.542
225 2HG GLU 29 HG1 GLU 29 8.729 -10.529 2.978
226 H GLY 30 HN GLY 30 9.509 -5.974 1.803
227 1HA GLY 30 HA2 GLY 30 11.735 -4.574 3.000
228 2HA GLY 30 HA1 GLY 30 10.984 -4.177 1.454
229 H VAL 31 HN VAL 31 8.289 -3.994 2.785
230 HA VAL 31 HA VAL 31 8.177 -1.195 3.242
231 HB VAL 31 HB VAL 31 6.294 -2.713 2.699
232 1HG1 VAL 31 HG13 VAL 31 7.169 -4.424 4.456
233 2HG1 VAL 31 HG12 VAL 31 6.254 -3.462 5.615
234 3HG1 VAL 31 HG11 VAL 31 5.427 -4.238 4.263
235 1HG2 VAL 31 HG21 VAL 31 6.203 -0.409 4.044
236 2HG2 VAL 31 HG23 VAL 31 4.743 -1.359 3.773
237 3HG2 VAL 31 HG22 VAL 31 5.582 -1.454 5.321
238 H SER 32 HN SER 32 8.302 0.052 4.976
239 HA SER 32 HA SER 32 9.161 -1.232 7.548
240 1HB SER 32 HB2 SER 32 10.362 0.766 5.812
241 2HB SER 32 HB1 SER 32 10.135 1.401 7.439
242 HG SER 32 HG SER 32 11.595 -0.856 6.574
243 H LYS 33 HN LYS 33 6.877 0.728 5.973
244 HA LYS 33 HA LYS 33 5.502 1.257 8.520
245 1HB LYS 33 HB2 LYS 33 6.839 3.125 8.780
246 2HB LYS 33 HB1 LYS 33 7.114 3.299 7.051
247 1HG LYS 33 HG2 LYS 33 4.873 4.213 6.743
248 2HG LYS 33 HG1 LYS 33 4.488 3.917 8.439
249 1HD LYS 33 HD2 LYS 33 5.793 5.666 9.189
250 2HD LYS 33 HD1 LYS 33 6.905 5.560 7.825
251 1HE LYS 33 HE2 LYS 33 5.738 7.132 6.686
252 2HE LYS 33 HE1 LYS 33 4.225 6.233 6.913
253 1HZ LYS 33 HZ2 LYS 33 4.502 7.046 9.354
254 2HZ LYS 33 HZ1 LYS 33 5.450 8.266 8.648
255 3HZ LYS 33 HZ3 LYS 33 3.826 8.083 8.191
256 H VAL 34 HN VAL 34 3.388 2.491 8.056
257 HA VAL 34 HA VAL 34 2.478 2.653 5.296
258 HB VAL 34 HB VAL 34 2.643 0.219 5.698
259 1HG1 VAL 34 HG13 VAL 34 0.953 0.979 8.061
260 2HG1 VAL 34 HG12 VAL 34 0.766 -0.620 7.341
261 3HG1 VAL 34 HG11 VAL 34 2.330 -0.121 7.984
262 1HG2 VAL 34 HG22 VAL 34 0.840 1.211 4.244
263 2HG2 VAL 34 HG21 VAL 34 0.402 -0.338 4.959
264 3HG2 VAL 34 HG23 VAL 34 -0.242 1.154 5.637
265 H ASP 35 HN ASP 35 0.219 3.318 5.160
266 HA ASP 35 HA ASP 35 -1.263 3.885 7.638
267 1HB ASP 35 HB2 ASP 35 0.618 5.719 6.613
268 2HB ASP 35 HB1 ASP 35 -0.960 6.354 6.144
269 H VAL 36 HN VAL 36 -3.439 4.825 7.079
270 HA VAL 36 HA VAL 36 -4.214 4.107 4.271
271 HB VAL 36 HB VAL 36 -6.377 3.495 5.275
272 1HG1 VAL 36 HG12 VAL 36 -4.114 2.057 5.425
273 2HG1 VAL 36 HG11 VAL 36 -4.436 2.228 7.151
274 3HG1 VAL 36 HG13 VAL 36 -5.637 1.478 6.099
275 1HG2 VAL 36 HG22 VAL 36 -5.334 5.106 7.442
276 2HG2 VAL 36 HG21 VAL 36 -6.976 4.513 7.196
277 3HG2 VAL 36 HG23 VAL 36 -5.793 3.511 8.036
278 H GLY 37 HN GLY 37 -5.770 5.474 3.232
279 1HA GLY 37 HA2 GLY 37 -6.509 7.993 4.613
280 2HA GLY 37 HA1 GLY 37 -5.600 8.123 3.106
281 H PHE 38 HN PHE 38 -8.609 6.828 4.491
282 HA PHE 38 HA PHE 38 -9.861 5.997 2.087
283 1HB PHE 38 HB2 PHE 38 -10.467 6.320 4.823
284 2HB PHE 38 HB1 PHE 38 -11.701 7.234 3.954
285 HD1 PHE 38 HD1 PHE 38 -11.877 5.687 1.424
286 HD2 PHE 38 HD2 PHE 38 -11.595 4.344 5.494
287 HE1 PHE 38 HE1 PHE 38 -13.014 3.572 0.804
288 HE2 PHE 38 HE2 PHE 38 -12.733 2.228 4.874
289 HZ PHE 38 HZ PHE 38 -13.451 1.843 2.532
290 H GLU 39 HN GLU 39 -9.129 9.198 3.223
291 HA GLU 39 HA GLU 39 -11.124 10.801 2.070
292 1HB GLU 39 HB2 GLU 39 -8.530 11.069 3.133
293 2HB GLU 39 HB1 GLU 39 -8.443 11.798 1.529
294 1HG GLU 39 HG2 GLU 39 -10.500 12.463 3.655
295 2HG GLU 39 HG1 GLU 39 -9.122 13.469 3.210
296 H LYS 40 HN LYS 40 -8.201 9.469 0.508
297 HA LYS 40 HA LYS 40 -9.483 9.969 -2.155
298 1HB LYS 40 HB2 LYS 40 -6.675 10.100 -1.089
299 2HB LYS 40 HB1 LYS 40 -6.930 9.770 -2.804
300 1HG LYS 40 HG2 LYS 40 -7.609 11.894 -3.234
301 2HG LYS 40 HG1 LYS 40 -8.565 11.983 -1.755
302 1HD LYS 40 HD2 LYS 40 -6.549 12.389 -0.433
303 2HD LYS 40 HD1 LYS 40 -5.544 12.211 -1.872
304 1HE LYS 40 HE2 LYS 40 -7.667 14.348 -1.460
305 2HE LYS 40 HE1 LYS 40 -5.911 14.601 -1.415
306 1HZ LYS 40 HZ3 LYS 40 -5.920 13.463 -3.679
307 2HZ LYS 40 HZ2 LYS 40 -7.591 13.772 -3.704
308 3HZ LYS 40 HZ1 LYS 40 -6.488 15.060 -3.615
309 H ARG 41 HN ARG 41 -9.670 7.625 -0.242
310 HA ARG 41 HA ARG 41 -9.436 5.275 -0.269
311 1HB ARG 41 HB2 ARG 41 -10.790 6.351 -2.463
312 2HB ARG 41 HB1 ARG 41 -9.716 5.141 -3.166
313 1HG ARG 41 HG2 ARG 41 -11.725 4.702 -0.936
314 2HG ARG 41 HG1 ARG 41 -11.804 4.048 -2.572
315 1HD ARG 41 HD2 ARG 41 -10.811 2.219 -1.574
316 2HD ARG 41 HD1 ARG 41 -9.333 3.166 -1.804
317 HE ARG 41 HE ARG 41 -10.568 4.082 0.584
318 1HH1 ARG 41 HH21 ARG 41 -9.173 1.195 -0.693
319 2HH1 ARG 41 HH22 ARG 41 -8.661 0.610 0.849
320 1HH2 ARG 41 HH11 ARG 41 -9.895 3.324 2.594
321 2HH2 ARG 41 HH12 ARG 41 -9.062 1.811 2.694
322 H GLU 42 HN GLU 42 -6.932 6.126 -0.040
323 HA GLU 42 HA GLU 42 -5.425 4.340 -1.870
324 1HB GLU 42 HB2 GLU 42 -3.746 6.310 -2.077
325 2HB GLU 42 HB1 GLU 42 -5.233 6.414 -3.020
326 1HG GLU 42 HG2 GLU 42 -6.079 8.123 -1.754
327 2HG GLU 42 HG1 GLU 42 -5.361 7.512 -0.263
328 H ALA 43 HN ALA 43 -3.316 3.736 -0.936
329 HA ALA 43 HA ALA 43 -3.219 4.256 2.020
330 1HB ALA 43 HB3 ALA 43 -2.414 1.947 0.238
331 2HB ALA 43 HB2 ALA 43 -1.890 2.055 1.918
332 3HB ALA 43 HB1 ALA 43 -3.608 1.953 1.536
333 H VAL 44 HN VAL 44 -1.310 5.106 2.877
334 HA VAL 44 HA VAL 44 0.824 5.792 0.895
335 HB VAL 44 HB VAL 44 -0.429 7.577 2.172
336 1HG1 VAL 44 HG13 VAL 44 -0.447 6.025 4.275
337 2HG1 VAL 44 HG12 VAL 44 1.146 6.714 4.585
338 3HG1 VAL 44 HG11 VAL 44 -0.268 7.764 4.502
339 1HG2 VAL 44 HG23 VAL 44 2.397 7.253 1.802
340 2HG2 VAL 44 HG22 VAL 44 1.459 8.746 1.800
341 3HG2 VAL 44 HG21 VAL 44 2.127 8.128 3.310
342 H VAL 45 HN VAL 45 2.280 4.123 0.950
343 HA VAL 45 HA VAL 45 3.074 3.025 3.611
344 HB VAL 45 HB VAL 45 2.074 1.653 1.695
345 1HG1 VAL 45 HG12 VAL 45 3.502 2.814 -0.043
346 2HG1 VAL 45 HG11 VAL 45 4.877 1.908 0.588
347 3HG1 VAL 45 HG13 VAL 45 3.512 1.053 -0.130
348 1HG2 VAL 45 HG22 VAL 45 4.418 1.114 3.387
349 2HG2 VAL 45 HG21 VAL 45 2.963 0.147 3.146
350 3HG2 VAL 45 HG23 VAL 45 4.293 0.041 1.993
351 H THR 46 HN THR 46 5.223 2.818 4.151
352 HA THR 46 HA THR 46 7.225 4.320 2.498
353 HB THR 46 HB THR 46 6.648 4.034 5.442
354 HG1 THR 46 HG1 THR 46 5.970 5.930 4.763
355 1HG2 THR 46 HG21 THR 46 9.331 4.355 4.155
356 2HG2 THR 46 HG23 THR 46 8.992 5.245 5.638
357 3HG2 THR 46 HG22 THR 46 8.891 3.485 5.624
358 H PHE 47 HN PHE 47 9.378 3.212 2.413
359 HA PHE 47 HA PHE 47 9.662 0.624 3.710
360 1HB PHE 47 HB2 PHE 47 9.400 -0.729 1.680
361 2HB PHE 47 HB1 PHE 47 7.922 0.174 2.009
362 HD1 PHE 47 HD2 PHE 47 11.038 0.165 -0.057
363 HD2 PHE 47 HD1 PHE 47 7.091 1.780 0.496
364 HE1 PHE 47 HE2 PHE 47 11.164 1.228 -2.285
365 HE2 PHE 47 HE1 PHE 47 7.212 2.841 -1.738
366 HZ PHE 47 HZ PHE 47 9.237 2.564 -3.131
367 H ASP 48 HN ASP 48 11.401 -0.688 2.404
368 HA ASP 48 HA ASP 48 13.607 1.227 1.798
369 1HB ASP 48 HB2 ASP 48 14.974 -0.931 2.287
370 2HB ASP 48 HB1 ASP 48 14.182 -0.148 3.652
371 H ASP 49 HN ASP 49 13.864 1.441 -0.376
372 HA ASP 49 HA ASP 49 12.697 -0.381 -2.263
373 1HB ASP 49 HB2 ASP 49 12.999 1.896 -2.880
374 2HB ASP 49 HB1 ASP 49 14.696 1.882 -2.398
375 H THR 50 HN THR 50 15.424 -0.781 -0.373
376 HA THR 50 HA THR 50 17.283 -1.976 -2.213
377 HB THR 50 HB THR 50 17.916 -1.213 0.014
378 HG1 THR 50 HG1 THR 50 17.983 -4.042 -0.175
379 1HG2 THR 50 HG21 THR 50 15.474 -2.359 0.766
380 2HG2 THR 50 HG23 THR 50 16.698 -3.349 1.562
381 3HG2 THR 50 HG22 THR 50 16.657 -1.608 1.838
382 H LYS 51 HN LYS 51 14.204 -3.000 -1.228
383 HA LYS 51 HA LYS 51 14.817 -5.782 -2.107
384 1HB LYS 51 HB2 LYS 51 13.619 -4.758 0.423
385 2HB LYS 51 HB1 LYS 51 12.984 -6.268 -0.232
386 1HG LYS 51 HG2 LYS 51 15.405 -7.059 -0.407
387 2HG LYS 51 HG1 LYS 51 15.836 -5.654 0.569
388 1HD LYS 51 HD2 LYS 51 15.123 -6.650 2.461
389 2HD LYS 51 HD1 LYS 51 13.582 -7.085 1.722
390 1HE LYS 51 HE2 LYS 51 14.265 -9.221 1.335
391 2HE LYS 51 HE1 LYS 51 15.835 -8.683 0.704
392 1HZ LYS 51 HZ2 LYS 51 15.361 -8.233 3.539
393 2HZ LYS 51 HZ1 LYS 51 15.561 -9.856 3.076
394 3HZ LYS 51 HZ3 LYS 51 16.778 -8.723 2.740
395 H ALA 52 HN ALA 52 12.162 -3.585 -1.271
396 HA ALA 52 HA ALA 52 10.693 -4.566 -3.693
397 1HB ALA 52 HB2 ALA 52 9.968 -4.421 -0.815
398 2HB ALA 52 HB1 ALA 52 8.712 -3.970 -1.965
399 3HB ALA 52 HB3 ALA 52 9.446 -5.569 -2.048
400 H SER 53 HN SER 53 8.498 -2.851 -3.399
401 HA SER 53 HA SER 53 8.957 -0.139 -2.848
402 1HB SER 53 HB2 SER 53 9.510 0.480 -5.356
403 2HB SER 53 HB1 SER 53 10.811 -0.023 -4.282
404 HG SER 53 HG SER 53 10.803 -1.145 -6.300
405 H VAL 54 HN VAL 54 7.710 1.184 -4.862
406 HA VAL 54 HA VAL 54 5.021 0.889 -4.663
407 HB VAL 54 HB VAL 54 6.854 1.602 -6.929
408 1HG1 VAL 54 HG12 VAL 54 3.886 1.190 -7.094
409 2HG1 VAL 54 HG11 VAL 54 4.616 2.528 -7.983
410 3HG1 VAL 54 HG13 VAL 54 5.126 0.871 -8.305
411 1HG2 VAL 54 HG22 VAL 54 4.932 3.019 -5.087
412 2HG2 VAL 54 HG21 VAL 54 6.673 3.255 -5.238
413 3HG2 VAL 54 HG23 VAL 54 5.592 3.809 -6.517
414 H GLN 55 HN GLN 55 6.785 -0.741 -7.335
415 HA GLN 55 HA GLN 55 4.776 -2.268 -8.443
416 1HB GLN 55 HB2 GLN 55 6.987 -2.334 -9.325
417 2HB GLN 55 HB1 GLN 55 7.662 -2.899 -7.797
418 1HG GLN 55 HG2 GLN 55 6.746 -5.066 -8.060
419 2HG GLN 55 HG1 GLN 55 5.620 -4.530 -9.307
420 1HE2 GLN 55 HE22 GLN 55 8.061 -5.981 -11.492
421 2HE2 GLN 55 HE21 GLN 55 6.583 -6.272 -10.709
422 H LYS 56 HN LYS 56 6.678 -3.222 -5.554
423 HA LYS 56 HA LYS 56 5.090 -5.631 -5.139
424 1HB LYS 56 HB2 LYS 56 7.207 -5.945 -4.333
425 2HB LYS 56 HB1 LYS 56 7.436 -4.233 -3.998
426 1HG LYS 56 HG2 LYS 56 5.567 -5.873 -2.298
427 2HG LYS 56 HG1 LYS 56 7.304 -5.893 -1.989
428 1HD LYS 56 HD2 LYS 56 6.820 -3.204 -2.277
429 2HD LYS 56 HD1 LYS 56 5.337 -3.754 -1.500
430 1HE LYS 56 HE2 LYS 56 6.397 -4.203 0.477
431 2HE LYS 56 HE1 LYS 56 7.818 -4.882 -0.339
432 1HZ LYS 56 HZ2 LYS 56 7.628 -2.156 -0.992
433 2HZ LYS 56 HZ1 LYS 56 7.510 -2.297 0.696
434 3HZ LYS 56 HZ3 LYS 56 8.851 -2.943 -0.115
435 H LEU 57 HN LEU 57 4.840 -2.306 -3.984
436 HA LEU 57 HA LEU 57 3.227 -2.933 -1.657
437 1HB LEU 57 HB2 LEU 57 3.441 -0.425 -3.360
438 2HB LEU 57 HB1 LEU 57 2.798 -0.503 -1.722
439 HG LEU 57 HG LEU 57 5.646 -1.239 -2.492
440 1HD1 LEU 57 HD13 LEU 57 4.308 1.302 -1.852
441 2HD1 LEU 57 HD12 LEU 57 5.713 0.973 -0.838
442 3HD1 LEU 57 HD11 LEU 57 5.883 1.018 -2.593
443 1HD2 LEU 57 HD21 LEU 57 4.489 -2.279 -0.390
444 2HD2 LEU 57 HD23 LEU 57 6.057 -1.503 -0.175
445 3HD2 LEU 57 HD22 LEU 57 4.585 -0.651 0.280
446 H THR 58 HN THR 58 2.421 -1.541 -4.856
447 HA THR 58 HA THR 58 -0.398 -1.715 -4.673
448 HB THR 58 HB THR 58 1.601 -1.866 -6.943
449 HG1 THR 58 HG1 THR 58 0.044 0.076 -5.677
450 1HG2 THR 58 HG22 THR 58 -0.526 -3.030 -7.567
451 2HG2 THR 58 HG21 THR 58 -1.403 -1.549 -7.182
452 3HG2 THR 58 HG23 THR 58 -0.238 -1.563 -8.504
453 H LYS 59 HN LYS 59 2.041 -4.162 -5.459
454 HA LYS 59 HA LYS 59 0.147 -6.121 -6.405
455 1HB LYS 59 HB2 LYS 59 2.775 -5.766 -6.676
456 2HB LYS 59 HB1 LYS 59 2.817 -6.838 -5.277
457 1HG LYS 59 HG2 LYS 59 1.954 -8.631 -6.450
458 2HG LYS 59 HG1 LYS 59 1.052 -7.602 -7.563
459 1HD LYS 59 HD2 LYS 59 2.716 -7.780 -9.065
460 2HD LYS 59 HD1 LYS 59 3.820 -7.023 -7.917
461 1HE LYS 59 HE2 LYS 59 3.468 -9.694 -7.023
462 2HE LYS 59 HE1 LYS 59 3.757 -9.775 -8.773
463 1HZ LYS 59 HZ2 LYS 59 5.489 -7.913 -8.181
464 2HZ LYS 59 HZ1 LYS 59 5.462 -8.669 -6.660
465 3HZ LYS 59 HZ3 LYS 59 5.894 -9.556 -8.039
466 H ALA 60 HN ALA 60 1.568 -5.299 -3.277
467 HA ALA 60 HA ALA 60 0.764 -7.687 -1.911
468 1HB ALA 60 HB2 ALA 60 2.484 -5.859 -1.292
469 2HB ALA 60 HB1 ALA 60 1.099 -4.935 -0.711
470 3HB ALA 60 HB3 ALA 60 1.490 -6.492 0.020
471 H THR 61 HN THR 61 -0.733 -4.480 -2.325
472 HA THR 61 HA THR 61 -3.072 -5.141 -0.739
473 HB THR 61 HB THR 61 -2.096 -2.840 -1.246
474 HG1 THR 61 HG1 THR 61 -4.533 -3.585 -0.889
475 1HG2 THR 61 HG23 THR 61 -3.412 -3.394 -3.918
476 2HG2 THR 61 HG22 THR 61 -2.785 -1.830 -3.400
477 3HG2 THR 61 HG21 THR 61 -1.683 -3.186 -3.636
478 H ALA 62 HN ALA 62 -2.099 -5.305 -4.070
479 HA ALA 62 HA ALA 62 -4.647 -5.891 -5.247
480 1HB ALA 62 HB2 ALA 62 -1.783 -6.572 -5.989
481 2HB ALA 62 HB1 ALA 62 -3.155 -6.832 -7.066
482 3HB ALA 62 HB3 ALA 62 -2.723 -5.197 -6.567
483 H ASP 63 HN ASP 63 -2.199 -7.777 -3.576
484 HA ASP 63 HA ASP 63 -3.583 -10.328 -4.151
485 1HB ASP 63 HB2 ASP 63 -0.969 -9.367 -3.260
486 2HB ASP 63 HB1 ASP 63 -1.546 -10.714 -2.276
487 H ALA 64 HN ALA 64 -3.765 -7.780 -1.914
488 HA ALA 64 HA ALA 64 -4.518 -9.389 0.422
489 1HB ALA 64 HB2 ALA 64 -3.378 -7.106 0.388
490 2HB ALA 64 HB1 ALA 64 -4.924 -6.434 -0.133
491 3HB ALA 64 HB3 ALA 64 -4.788 -7.218 1.441
492 H GLY 65 HN GLY 65 -6.034 -7.935 -2.357
493 1HA GLY 65 HA2 GLY 65 -8.311 -9.210 -2.664
494 2HA GLY 65 HA1 GLY 65 -8.720 -8.394 -1.161
495 H TYR 66 HN TYR 66 -6.732 -6.474 -3.254
496 HA TYR 66 HA TYR 66 -9.145 -5.222 -4.486
497 1HB TYR 66 HB2 TYR 66 -7.074 -3.816 -2.783
498 2HB TYR 66 HB1 TYR 66 -8.422 -3.036 -3.605
499 HD1 TYR 66 HD1 TYR 66 -10.785 -4.095 -3.083
500 HD2 TYR 66 HD2 TYR 66 -7.296 -4.423 -0.622
501 HE1 TYR 66 HE1 TYR 66 -12.221 -4.515 -1.122
502 HE2 TYR 66 HE2 TYR 66 -8.718 -4.827 1.349
503 HH TYR 66 HH TYR 66 -10.941 -5.611 1.893
504 HA PRO 67 HA PRO 67 -5.973 -5.178 -7.751
505 1HB PRO 67 HB2 PRO 67 -7.972 -3.852 -9.374
506 2HB PRO 67 HB1 PRO 67 -7.371 -5.505 -9.531
507 1HG PRO 67 HG2 PRO 67 -9.940 -4.670 -8.595
508 2HG PRO 67 HG1 PRO 67 -9.312 -6.317 -8.692
509 1HD PRO 67 HD2 PRO 67 -9.784 -4.738 -6.318
510 2HD PRO 67 HD1 PRO 67 -9.156 -6.402 -6.417
511 H SER 68 HN SER 68 -4.695 -3.505 -6.759
512 HA SER 68 HA SER 68 -5.807 -0.738 -6.865
513 1HB SER 68 HB2 SER 68 -4.603 -0.403 -4.925
514 2HB SER 68 HB1 SER 68 -4.804 -2.148 -4.827
515 HG SER 68 HG SER 68 -2.555 -0.656 -5.216
516 H SER 69 HN SER 69 -3.559 0.731 -6.678
517 HA SER 69 HA SER 69 -1.706 0.121 -8.904
518 1HB SER 69 HB2 SER 69 -2.384 2.010 -10.176
519 2HB SER 69 HB1 SER 69 -3.909 1.293 -9.661
520 HG SER 69 HG SER 69 -4.250 3.212 -8.861
521 H VAL 70 HN VAL 70 -0.511 2.640 -9.005
522 HA VAL 70 HA VAL 70 0.069 3.304 -6.170
523 HB VAL 70 HB VAL 70 1.482 1.502 -7.358
524 1HG1 VAL 70 HG12 VAL 70 1.696 3.272 -9.349
525 2HG1 VAL 70 HG11 VAL 70 3.098 3.783 -8.410
526 3HG1 VAL 70 HG13 VAL 70 2.986 2.123 -8.994
527 1HG2 VAL 70 HG21 VAL 70 2.121 3.603 -5.497
528 2HG2 VAL 70 HG23 VAL 70 2.746 1.954 -5.545
529 3HG2 VAL 70 HG22 VAL 70 3.548 3.230 -6.461
530 H LYS 71 HN LYS 71 1.155 5.381 -5.900
531 HA LYS 71 HA LYS 71 0.925 7.154 -8.310
532 1HB LYS 71 HB2 LYS 71 0.530 8.311 -5.600
533 2HB LYS 71 HB1 LYS 71 -0.319 8.677 -7.099
534 1HG LYS 71 HG2 LYS 71 -1.594 6.592 -6.912
535 2HG LYS 71 HG1 LYS 71 -0.711 6.168 -5.444
536 1HD LYS 71 HD2 LYS 71 -2.298 7.269 -4.287
537 2HD LYS 71 HD1 LYS 71 -1.645 8.758 -4.971
538 1HE LYS 71 HE2 LYS 71 -3.659 9.051 -5.980
539 2HE LYS 71 HE1 LYS 71 -3.252 7.665 -7.012
540 1HZ LYS 71 HZ2 LYS 71 -4.039 6.203 -5.201
541 2HZ LYS 71 HZ1 LYS 71 -4.576 7.574 -4.354
542 3HZ LYS 71 HZ3 LYS 71 -5.275 7.174 -5.846
543 H GLN 72 HN GLN 72 3.104 5.673 -6.995
544 HA GLN 72 HA GLN 72 5.327 6.039 -6.183
545 1HB GLN 72 HB2 GLN 72 4.947 8.331 -8.138
546 2HB GLN 72 HB1 GLN 72 6.474 7.551 -7.724
547 1HG GLN 72 HG2 GLN 72 5.950 5.599 -8.884
548 2HG GLN 72 HG1 GLN 72 4.212 5.880 -8.772
549 1HE2 GLN 72 HE22 GLN 72 5.714 6.799 -12.207
550 2HE2 GLN 72 HE21 GLN 72 6.063 5.477 -11.201
No H/Q in entry = 550
Start of MODEL 18
1 1H ALA 1 HT3 ALA 1 16.952 4.727 4.880
2 2H ALA 1 HT2 ALA 1 18.469 5.283 4.354
3 3H ALA 1 HT1 ALA 1 17.121 6.317 4.316
4 HA ALA 1 HA ALA 1 17.056 5.721 2.142
5 1HB ALA 1 HB2 ALA 1 19.230 4.509 2.622
6 2HB ALA 1 HB1 ALA 1 18.269 3.072 2.973
7 3HB ALA 1 HB3 ALA 1 18.248 3.775 1.355
8 H THR 2 HN THR 2 14.810 5.524 3.695
9 HA THR 2 HA THR 2 13.625 2.897 3.228
10 HB THR 2 HB THR 2 13.668 4.077 5.471
11 HG1 THR 2 HG1 THR 2 11.424 3.773 5.831
12 1HG2 THR 2 HG23 THR 2 12.833 6.243 3.824
13 2HG2 THR 2 HG22 THR 2 11.530 5.901 4.962
14 3HG2 THR 2 HG21 THR 2 13.151 6.255 5.558
15 H GLN 3 HN GLN 3 11.198 4.614 3.354
16 HA GLN 3 HA GLN 3 11.074 6.230 0.980
17 1HB GLN 3 HB2 GLN 3 10.803 3.339 0.787
18 2HB GLN 3 HB1 GLN 3 9.395 4.178 0.136
19 1HG GLN 3 HG2 GLN 3 12.056 5.289 -0.584
20 2HG GLN 3 HG1 GLN 3 11.610 3.753 -1.328
21 1HE2 GLN 3 HE22 GLN 3 9.722 5.511 -3.730
22 2HE2 GLN 3 HE21 GLN 3 10.885 4.317 -3.411
23 H THR 4 HN THR 4 8.990 7.145 0.625
24 HA THR 4 HA THR 4 6.805 6.378 2.501
25 HB THR 4 HB THR 4 7.972 9.164 2.149
26 HG1 THR 4 HG1 THR 4 9.219 7.713 3.433
27 1HG2 THR 4 HG22 THR 4 5.664 8.089 3.783
28 2HG2 THR 4 HG21 THR 4 6.409 9.659 4.086
29 3HG2 THR 4 HG23 THR 4 5.613 9.344 2.545
30 H VAL 5 HN VAL 5 5.268 5.870 0.954
31 HA VAL 5 HA VAL 5 4.564 7.979 -1.068
32 HB VAL 5 HB VAL 5 4.605 5.043 -1.720
33 1HG1 VAL 5 HG13 VAL 5 4.777 7.615 -3.299
34 2HG1 VAL 5 HG12 VAL 5 4.978 6.018 -4.016
35 3HG1 VAL 5 HG11 VAL 5 3.439 6.467 -3.278
36 1HG2 VAL 5 HG23 VAL 5 6.921 6.988 -1.988
37 2HG2 VAL 5 HG22 VAL 5 6.879 5.571 -0.939
38 3HG2 VAL 5 HG21 VAL 5 6.871 5.372 -2.692
39 H THR 6 HN THR 6 2.386 7.579 -1.949
40 HA THR 6 HA THR 6 0.609 6.299 0.065
41 HB THR 6 HB THR 6 -1.037 7.828 -1.261
42 HG1 THR 6 HG1 THR 6 1.337 9.226 -1.811
43 1HG2 THR 6 HG23 THR 6 0.951 8.480 0.807
44 2HG2 THR 6 HG22 THR 6 0.245 9.880 0.001
45 3HG2 THR 6 HG21 THR 6 -0.798 8.714 0.814
46 H LEU 7 HN LEU 7 -1.321 5.211 -0.985
47 HA LEU 7 HA LEU 7 -0.693 4.309 -3.763
48 1HB LEU 7 HB2 LEU 7 -0.592 2.820 -1.281
49 2HB LEU 7 HB1 LEU 7 -1.791 2.116 -2.363
50 HG LEU 7 HG LEU 7 -0.175 1.866 -4.108
51 1HD1 LEU 7 HD12 LEU 7 1.494 3.641 -2.365
52 2HD1 LEU 7 HD11 LEU 7 2.246 2.587 -3.563
53 3HD1 LEU 7 HD13 LEU 7 1.099 3.820 -4.068
54 1HD2 LEU 7 HD22 LEU 7 0.886 1.091 -1.395
55 2HD2 LEU 7 HD21 LEU 7 0.066 0.062 -2.572
56 3HD2 LEU 7 HD23 LEU 7 1.710 0.620 -2.879
57 H ALA 8 HN ALA 8 -2.576 3.513 -4.891
58 HA ALA 8 HA ALA 8 -5.117 4.698 -3.830
59 1HB ALA 8 HB3 ALA 8 -3.870 4.314 -6.541
60 2HB ALA 8 HB2 ALA 8 -5.619 4.501 -6.408
61 3HB ALA 8 HB1 ALA 8 -4.549 5.778 -5.831
62 H VAL 9 HN VAL 9 -6.257 3.012 -2.869
63 HA VAL 9 HA VAL 9 -6.461 0.439 -4.402
64 HB VAL 9 HB VAL 9 -5.357 0.085 -2.313
65 1HG1 VAL 9 HG12 VAL 9 -7.272 2.166 -1.368
66 2HG1 VAL 9 HG11 VAL 9 -6.767 0.947 -0.197
67 3HG1 VAL 9 HG13 VAL 9 -5.561 1.959 -0.992
68 1HG2 VAL 9 HG22 VAL 9 -8.144 -0.777 -2.571
69 2HG2 VAL 9 HG21 VAL 9 -6.723 -1.698 -2.086
70 3HG2 VAL 9 HG23 VAL 9 -7.595 -0.735 -0.897
71 HA PRO 10 HA PRO 10 -10.671 2.209 -4.573
72 1HB PRO 10 HB2 PRO 10 -11.234 0.676 -6.865
73 2HB PRO 10 HB1 PRO 10 -10.687 2.355 -6.834
74 1HG PRO 10 HG2 PRO 10 -9.227 0.000 -7.692
75 2HG PRO 10 HG1 PRO 10 -8.749 1.697 -7.809
76 1HD PRO 10 HD2 PRO 10 -7.774 -0.313 -5.961
77 2HD PRO 10 HD1 PRO 10 -7.247 1.381 -6.124
78 H GLY 11 HN GLY 11 -9.918 -0.226 -2.929
79 1HA GLY 11 HA2 GLY 11 -11.668 -2.395 -3.603
80 2HA GLY 11 HA1 GLY 11 -10.989 -2.088 -2.001
81 H MET 12 HN MET 12 -12.003 0.395 -1.426
82 HA MET 12 HA MET 12 -13.926 1.173 -0.257
83 1HB MET 12 HB2 MET 12 -15.556 1.931 -1.912
84 2HB MET 12 HB1 MET 12 -13.941 2.076 -2.597
85 1HG MET 12 HG2 MET 12 -14.226 0.005 -3.842
86 2HG MET 12 HG1 MET 12 -15.788 -0.279 -3.075
87 1HE MET 12 HE1 MET 12 -16.460 -0.821 -5.111
88 2HE MET 12 HE3 MET 12 -17.812 0.254 -5.494
89 3HE MET 12 HE2 MET 12 -16.449 0.118 -6.602
90 H THR 13 HN THR 13 -13.684 -1.523 0.287
91 HA THR 13 HA THR 13 -16.206 -2.897 -0.332
92 HB THR 13 HB THR 13 -13.712 -3.738 -0.001
93 HG1 THR 13 HG1 THR 13 -15.020 -5.335 -0.444
94 1HG2 THR 13 HG21 THR 13 -14.118 -2.812 2.521
95 2HG2 THR 13 HG23 THR 13 -14.567 -4.507 2.709
96 3HG2 THR 13 HG22 THR 13 -12.967 -4.081 2.105
97 H CYS 14 HN CYS 14 -15.780 -0.345 1.477
98 HA CYS 14 HA CYS 14 -17.120 0.573 3.187
99 1HB CYS 14 HB2 CYS 14 -18.653 -1.363 2.306
100 2HB CYS 14 HB1 CYS 14 -18.161 -2.184 3.788
101 HG CYS 14 HG CYS 14 -19.373 0.679 4.008
102 H ALA 15 HN ALA 15 -15.146 0.932 4.361
103 HA ALA 15 HA ALA 15 -13.760 0.765 6.258
104 1HB ALA 15 HB2 ALA 15 -16.230 0.660 7.066
105 2HB ALA 15 HB1 ALA 15 -15.895 -1.046 7.364
106 3HB ALA 15 HB3 ALA 15 -14.960 0.195 8.199
107 H ALA 16 HN ALA 16 -13.250 -1.233 4.176
108 HA ALA 16 HA ALA 16 -11.852 -3.195 5.885
109 1HB ALA 16 HB3 ALA 16 -14.333 -3.728 4.427
110 2HB ALA 16 HB2 ALA 16 -13.048 -4.866 4.024
111 3HB ALA 16 HB1 ALA 16 -13.555 -4.668 5.702
112 H CYS 17 HN CYS 17 -12.478 -1.901 2.619
113 HA CYS 17 HA CYS 17 -10.593 -3.289 1.101
114 1HB CYS 17 HB2 CYS 17 -11.771 -1.825 -0.184
115 2HB CYS 17 HB1 CYS 17 -11.926 -0.657 1.118
116 HG CYS 17 HG CYS 17 -10.227 -0.056 -1.063
117 HA PRO 18 HA PRO 18 -7.143 -0.188 2.474
118 1HB PRO 18 HB2 PRO 18 -7.847 1.251 4.783
119 2HB PRO 18 HB1 PRO 18 -7.820 1.868 3.129
120 1HG PRO 18 HG2 PRO 18 -10.122 1.228 4.820
121 2HG PRO 18 HG1 PRO 18 -10.063 2.161 3.320
122 1HD PRO 18 HD2 PRO 18 -11.077 -0.478 3.642
123 2HD PRO 18 HD1 PRO 18 -10.805 0.384 2.109
124 H ILE 19 HN ILE 19 -8.896 -2.311 4.454
125 HA ILE 19 HA ILE 19 -6.900 -2.417 6.636
126 HB ILE 19 HB ILE 19 -9.438 -3.948 5.978
127 1HG1 ILE 19 HG12 ILE 19 -8.767 -1.720 7.920
128 2HG1 ILE 19 HG11 ILE 19 -9.927 -1.671 6.591
129 1HG2 ILE 19 HG21 ILE 19 -7.698 -4.028 8.460
130 2HG2 ILE 19 HG23 ILE 19 -9.257 -4.832 8.278
131 3HG2 ILE 19 HG22 ILE 19 -7.886 -5.335 7.290
132 1HD1 ILE 19 HD13 ILE 19 -10.161 -3.557 8.950
133 2HD1 ILE 19 HD12 ILE 19 -10.980 -1.998 8.860
134 3HD1 ILE 19 HD11 ILE 19 -11.366 -3.266 7.696
135 H THR 20 HN THR 20 -8.205 -4.536 4.095
136 HA THR 20 HA THR 20 -6.396 -6.722 4.456
137 HB THR 20 HB THR 20 -8.293 -5.608 2.447
138 HG1 THR 20 HG1 THR 20 -7.813 -8.161 3.582
139 1HG2 THR 20 HG23 THR 20 -6.321 -6.117 1.053
140 2HG2 THR 20 HG22 THR 20 -6.293 -7.756 1.702
141 3HG2 THR 20 HG21 THR 20 -7.655 -7.220 0.717
142 H VAL 21 HN VAL 21 -6.353 -3.719 2.620
143 HA VAL 21 HA VAL 21 -3.954 -4.180 1.151
144 HB VAL 21 HB VAL 21 -5.251 -1.633 2.179
145 1HG1 VAL 21 HG13 VAL 21 -3.061 -2.212 0.247
146 2HG1 VAL 21 HG12 VAL 21 -4.196 -0.933 -0.179
147 3HG1 VAL 21 HG11 VAL 21 -3.273 -0.831 1.321
148 1HG2 VAL 21 HG23 VAL 21 -6.472 -3.496 0.646
149 2HG2 VAL 21 HG22 VAL 21 -6.771 -1.767 0.466
150 3HG2 VAL 21 HG21 VAL 21 -5.639 -2.583 -0.612
151 H LYS 22 HN LYS 22 -4.645 -2.488 4.193
152 HA LYS 22 HA LYS 22 -2.180 -1.521 4.974
153 1HB LYS 22 HB2 LYS 22 -4.154 -1.275 6.324
154 2HB LYS 22 HB1 LYS 22 -4.302 -3.021 6.528
155 1HG LYS 22 HG2 LYS 22 -2.439 -3.135 7.969
156 2HG LYS 22 HG1 LYS 22 -1.834 -1.560 7.455
157 1HD LYS 22 HD2 LYS 22 -3.738 -0.451 8.531
158 2HD LYS 22 HD1 LYS 22 -4.400 -2.016 9.005
159 1HE LYS 22 HE2 LYS 22 -1.632 -1.099 9.842
160 2HE LYS 22 HE1 LYS 22 -3.079 -0.828 10.832
161 1HZ LYS 22 HZ2 LYS 22 -3.101 -3.476 9.870
162 2HZ LYS 22 HZ1 LYS 22 -1.596 -3.184 10.601
163 3HZ LYS 22 HZ3 LYS 22 -3.025 -2.939 11.480
164 H LYS 23 HN LYS 23 -3.289 -4.877 5.639
165 HA LYS 23 HA LYS 23 -0.708 -5.719 6.627
166 1HB LYS 23 HB2 LYS 23 -2.922 -7.439 5.502
167 2HB LYS 23 HB1 LYS 23 -1.771 -7.860 6.770
168 1HG LYS 23 HG2 LYS 23 -2.800 -5.782 8.007
169 2HG LYS 23 HG1 LYS 23 -4.158 -6.043 6.911
170 1HD LYS 23 HD2 LYS 23 -2.960 -8.209 8.657
171 2HD LYS 23 HD1 LYS 23 -4.380 -7.260 9.101
172 1HE LYS 23 HE2 LYS 23 -5.654 -8.723 7.930
173 2HE LYS 23 HE1 LYS 23 -4.822 -8.202 6.451
174 1HZ LYS 23 HZ2 LYS 23 -2.947 -9.698 7.210
175 2HZ LYS 23 HZ1 LYS 23 -4.050 -10.374 8.311
176 3HZ LYS 23 HZ3 LYS 23 -4.345 -10.481 6.645
177 H ALA 24 HN ALA 24 -2.116 -5.619 3.445
178 HA ALA 24 HA ALA 24 -0.475 -7.548 2.153
179 1HB ALA 24 HB1 ALA 24 -2.588 -5.893 1.538
180 2HB ALA 24 HB3 ALA 24 -1.278 -5.198 0.584
181 3HB ALA 24 HB2 ALA 24 -1.721 -6.891 0.371
182 H LEU 25 HN LEU 25 -0.167 -3.977 2.178
183 HA LEU 25 HA LEU 25 2.425 -3.969 0.916
184 1HB LEU 25 HB2 LEU 25 1.054 -1.921 2.683
185 2HB LEU 25 HB1 LEU 25 2.329 -1.598 1.506
186 HG LEU 25 HG LEU 25 0.509 -2.940 -0.032
187 1HD1 LEU 25 HD11 LEU 25 -0.880 -2.017 2.315
188 2HD1 LEU 25 HD13 LEU 25 -1.475 -1.177 0.884
189 3HD1 LEU 25 HD12 LEU 25 -1.501 -2.940 0.946
190 1HD2 LEU 25 HD21 LEU 25 1.682 -0.802 -0.525
191 2HD2 LEU 25 HD23 LEU 25 -0.030 -0.738 -0.940
192 3HD2 LEU 25 HD22 LEU 25 0.544 0.032 0.535
193 H SER 26 HN SER 26 1.346 -4.078 4.275
194 HA SER 26 HA SER 26 3.888 -3.436 5.477
195 1HB SER 26 HB2 SER 26 1.287 -3.805 6.290
196 2HB SER 26 HB1 SER 26 2.052 -5.273 6.893
197 HG SER 26 HG SER 26 3.639 -3.904 7.864
198 H LYS 27 HN LYS 27 2.547 -6.302 4.001
199 HA LYS 27 HA LYS 27 4.837 -7.872 5.073
200 1HB LYS 27 HB2 LYS 27 3.424 -9.826 4.671
201 2HB LYS 27 HB1 LYS 27 2.520 -8.632 5.600
202 1HG LYS 27 HG2 LYS 27 0.993 -9.261 3.925
203 2HG LYS 27 HG1 LYS 27 1.704 -7.784 3.279
204 1HD LYS 27 HD2 LYS 27 2.625 -8.873 1.540
205 2HD LYS 27 HD1 LYS 27 3.275 -10.134 2.588
206 1HE LYS 27 HE2 LYS 27 0.448 -10.492 2.523
207 2HE LYS 27 HE1 LYS 27 0.999 -10.297 0.847
208 1HZ LYS 27 HZ1 LYS 27 2.566 -11.942 2.717
209 2HZ LYS 27 HZ3 LYS 27 1.192 -12.609 1.981
210 3HZ LYS 27 HZ2 LYS 27 2.473 -12.037 1.024
211 H VAL 28 HN VAL 28 4.000 -6.182 2.343
212 HA VAL 28 HA VAL 28 4.352 -7.799 0.115
213 HB VAL 28 HB VAL 28 4.009 -5.304 0.208
214 1HG1 VAL 28 HG13 VAL 28 5.866 -4.854 1.825
215 2HG1 VAL 28 HG12 VAL 28 7.022 -5.257 0.554
216 3HG1 VAL 28 HG11 VAL 28 5.964 -3.861 0.371
217 1HG2 VAL 28 HG21 VAL 28 6.226 -6.399 -1.549
218 2HG2 VAL 28 HG23 VAL 28 4.504 -6.343 -1.928
219 3HG2 VAL 28 HG22 VAL 28 5.433 -4.848 -1.822
220 H GLU 29 HN GLU 29 7.013 -6.457 2.130
221 HA GLU 29 HA GLU 29 8.675 -8.747 1.933
222 1HB GLU 29 HB2 GLU 29 8.508 -7.041 -0.432
223 2HB GLU 29 HB1 GLU 29 10.167 -7.215 0.141
224 1HG GLU 29 HG2 GLU 29 9.168 -9.786 0.357
225 2HG GLU 29 HG1 GLU 29 8.419 -9.195 -1.126
226 H GLY 30 HN GLY 30 9.821 -5.499 1.086
227 1HA GLY 30 HA2 GLY 30 11.431 -5.488 3.565
228 2HA GLY 30 HA1 GLY 30 11.631 -4.390 2.202
229 H VAL 31 HN VAL 31 8.484 -4.134 2.427
230 HA VAL 31 HA VAL 31 8.280 -1.598 3.522
231 HB VAL 31 HB VAL 31 6.416 -3.963 3.463
232 1HG1 VAL 31 HG12 VAL 31 5.939 -1.227 4.667
233 2HG1 VAL 31 HG11 VAL 31 4.618 -2.229 4.072
234 3HG1 VAL 31 HG13 VAL 31 5.630 -2.802 5.397
235 1HG2 VAL 31 HG22 VAL 31 7.050 -2.680 1.386
236 2HG2 VAL 31 HG21 VAL 31 5.323 -2.646 1.737
237 3HG2 VAL 31 HG23 VAL 31 6.326 -1.246 2.114
238 H SER 32 HN SER 32 8.193 -0.692 5.470
239 HA SER 32 HA SER 32 8.584 -2.474 7.850
240 1HB SER 32 HB2 SER 32 10.520 -1.037 7.045
241 2HB SER 32 HB1 SER 32 9.538 0.375 7.427
242 HG SER 32 HG SER 32 9.830 -1.616 9.369
243 H LYS 33 HN LYS 33 6.587 -0.206 6.316
244 HA LYS 33 HA LYS 33 4.879 -0.046 8.732
245 1HB LYS 33 HB2 LYS 33 5.933 1.898 9.301
246 2HB LYS 33 HB1 LYS 33 6.612 2.109 7.692
247 1HG LYS 33 HG2 LYS 33 4.436 2.943 6.876
248 2HG LYS 33 HG1 LYS 33 3.742 2.709 8.480
249 1HD LYS 33 HD2 LYS 33 6.168 4.236 8.717
250 2HD LYS 33 HD1 LYS 33 5.124 4.990 7.512
251 1HE LYS 33 HE2 LYS 33 3.245 4.985 9.119
252 2HE LYS 33 HE1 LYS 33 4.292 4.228 10.337
253 1HZ LYS 33 HZ1 LYS 33 5.883 6.132 9.819
254 2HZ LYS 33 HZ3 LYS 33 4.556 6.899 9.092
255 3HZ LYS 33 HZ2 LYS 33 4.508 6.505 10.744
256 H VAL 34 HN VAL 34 2.755 0.971 8.190
257 HA VAL 34 HA VAL 34 2.084 1.230 5.320
258 HB VAL 34 HB VAL 34 2.033 -1.228 6.062
259 1HG1 VAL 34 HG11 VAL 34 1.060 -0.692 8.322
260 2HG1 VAL 34 HG13 VAL 34 -0.455 -0.285 7.516
261 3HG1 VAL 34 HG12 VAL 34 0.168 -1.933 7.441
262 1HG2 VAL 34 HG21 VAL 34 0.626 0.012 4.194
263 2HG2 VAL 34 HG23 VAL 34 0.251 -1.657 4.624
264 3HG2 VAL 34 HG22 VAL 34 -0.723 -0.338 5.274
265 H ASP 35 HN ASP 35 -0.444 1.726 5.225
266 HA ASP 35 HA ASP 35 -1.547 2.845 7.714
267 1HB ASP 35 HB2 ASP 35 0.268 4.370 6.332
268 2HB ASP 35 HB1 ASP 35 -1.260 4.924 5.645
269 H VAL 36 HN VAL 36 -3.714 3.732 7.396
270 HA VAL 36 HA VAL 36 -5.036 2.655 4.934
271 HB VAL 36 HB VAL 36 -5.871 3.097 7.806
272 1HG1 VAL 36 HG13 VAL 36 -7.518 3.175 5.379
273 2HG1 VAL 36 HG12 VAL 36 -8.047 1.954 6.536
274 3HG1 VAL 36 HG11 VAL 36 -7.928 3.643 7.029
275 1HG2 VAL 36 HG21 VAL 36 -5.088 0.856 6.125
276 2HG2 VAL 36 HG23 VAL 36 -5.303 0.912 7.874
277 3HG2 VAL 36 HG22 VAL 36 -6.686 0.596 6.825
278 H GLY 37 HN GLY 37 -6.154 4.099 3.635
279 1HA GLY 37 HA2 GLY 37 -6.723 6.816 4.718
280 2HA GLY 37 HA1 GLY 37 -5.834 6.669 3.201
281 H PHE 38 HN PHE 38 -8.798 5.270 4.653
282 HA PHE 38 HA PHE 38 -10.118 4.695 2.207
283 1HB PHE 38 HB2 PHE 38 -10.569 4.451 4.926
284 2HB PHE 38 HB1 PHE 38 -11.825 5.583 4.426
285 HD1 PHE 38 HD1 PHE 38 -12.183 4.635 1.581
286 HD2 PHE 38 HD2 PHE 38 -11.861 2.474 5.278
287 HE1 PHE 38 HE1 PHE 38 -13.485 2.767 0.600
288 HE2 PHE 38 HE2 PHE 38 -13.163 0.609 4.298
289 HZ PHE 38 HZ PHE 38 -13.987 0.754 1.966
290 H GLU 39 HN GLU 39 -9.643 7.731 3.879
291 HA GLU 39 HA GLU 39 -11.725 9.369 3.093
292 1HB GLU 39 HB2 GLU 39 -9.444 9.831 4.267
293 2HB GLU 39 HB1 GLU 39 -8.848 10.167 2.641
294 1HG GLU 39 HG2 GLU 39 -11.414 11.455 3.460
295 2HG GLU 39 HG1 GLU 39 -9.924 12.088 4.160
296 H LYS 40 HN LYS 40 -9.041 8.238 1.035
297 HA LYS 40 HA LYS 40 -10.696 8.925 -1.350
298 1HB LYS 40 HB2 LYS 40 -8.672 9.901 -2.393
299 2HB LYS 40 HB1 LYS 40 -9.095 10.753 -0.908
300 1HG LYS 40 HG2 LYS 40 -7.415 9.504 0.339
301 2HG LYS 40 HG1 LYS 40 -7.045 8.527 -1.082
302 1HD LYS 40 HD2 LYS 40 -5.364 10.123 -1.223
303 2HD LYS 40 HD1 LYS 40 -6.618 10.893 -2.197
304 1HE LYS 40 HE2 LYS 40 -7.395 12.019 -0.008
305 2HE LYS 40 HE1 LYS 40 -5.829 11.509 0.659
306 1HZ LYS 40 HZ1 LYS 40 -5.998 12.841 -1.972
307 2HZ LYS 40 HZ3 LYS 40 -5.948 13.759 -0.547
308 3HZ LYS 40 HZ2 LYS 40 -4.664 12.713 -0.927
309 H ARG 41 HN ARG 41 -10.512 6.353 -0.361
310 HA ARG 41 HA ARG 41 -9.705 4.164 -0.841
311 1HB ARG 41 HB2 ARG 41 -9.639 5.450 -3.586
312 2HB ARG 41 HB1 ARG 41 -9.927 3.748 -3.221
313 1HG ARG 41 HG2 ARG 41 -11.729 5.619 -1.836
314 2HG ARG 41 HG1 ARG 41 -11.898 5.595 -3.590
315 1HD ARG 41 HD2 ARG 41 -11.624 2.897 -2.593
316 2HD ARG 41 HD1 ARG 41 -12.962 3.717 -1.769
317 HE ARG 41 HE ARG 41 -12.978 2.841 -4.492
318 1HH1 ARG 41 HH21 ARG 41 -13.745 5.640 -2.602
319 2HH1 ARG 41 HH22 ARG 41 -14.720 6.352 -3.841
320 1HH2 ARG 41 HH11 ARG 41 -14.265 3.755 -6.084
321 2HH2 ARG 41 HH12 ARG 41 -15.027 5.284 -5.798
322 H GLU 42 HN GLU 42 -7.536 5.224 0.221
323 HA GLU 42 HA GLU 42 -5.379 4.472 -1.687
324 1HB GLU 42 HB2 GLU 42 -4.229 6.548 -1.358
325 2HB GLU 42 HB1 GLU 42 -5.910 6.975 -1.682
326 1HG GLU 42 HG2 GLU 42 -5.651 8.232 0.216
327 2HG GLU 42 HG1 GLU 42 -6.021 6.700 1.008
328 H ALA 43 HN ALA 43 -3.615 3.490 -0.680
329 HA ALA 43 HA ALA 43 -3.713 3.314 2.319
330 1HB ALA 43 HB2 ALA 43 -3.801 1.319 0.325
331 2HB ALA 43 HB1 ALA 43 -2.151 1.264 0.943
332 3HB ALA 43 HB3 ALA 43 -3.512 1.058 2.045
333 H VAL 44 HN VAL 44 -1.791 4.001 3.357
334 HA VAL 44 HA VAL 44 0.370 4.934 1.508
335 HB VAL 44 HB VAL 44 -0.866 5.816 4.058
336 1HG1 VAL 44 HG13 VAL 44 2.090 6.165 3.480
337 2HG1 VAL 44 HG12 VAL 44 1.196 7.169 4.621
338 3HG1 VAL 44 HG11 VAL 44 1.365 5.438 4.914
339 1HG2 VAL 44 HG23 VAL 44 -0.495 6.787 1.452
340 2HG2 VAL 44 HG22 VAL 44 -1.206 7.655 2.811
341 3HG2 VAL 44 HG21 VAL 44 0.518 7.803 2.475
342 H VAL 45 HN VAL 45 2.512 4.223 1.835
343 HA VAL 45 HA VAL 45 2.945 2.312 4.090
344 HB VAL 45 HB VAL 45 4.174 1.332 1.677
345 1HG1 VAL 45 HG11 VAL 45 3.034 0.346 3.979
346 2HG1 VAL 45 HG13 VAL 45 1.854 -0.113 2.752
347 3HG1 VAL 45 HG12 VAL 45 3.533 -0.632 2.599
348 1HG2 VAL 45 HG21 VAL 45 2.243 2.618 0.617
349 2HG2 VAL 45 HG23 VAL 45 2.271 0.887 0.280
350 3HG2 VAL 45 HG22 VAL 45 1.155 1.534 1.484
351 H THR 46 HN THR 46 5.110 1.966 4.621
352 HA THR 46 HA THR 46 7.110 3.848 3.429
353 HB THR 46 HB THR 46 6.298 3.151 6.237
354 HG1 THR 46 HG1 THR 46 6.853 5.459 6.388
355 1HG2 THR 46 HG21 THR 46 9.083 3.989 5.387
356 2HG2 THR 46 HG23 THR 46 8.486 4.090 7.045
357 3HG2 THR 46 HG22 THR 46 8.634 2.520 6.255
358 H PHE 47 HN PHE 47 9.280 2.876 3.271
359 HA PHE 47 HA PHE 47 9.655 0.145 4.259
360 1HB PHE 47 HB2 PHE 47 9.652 -0.900 2.034
361 2HB PHE 47 HB1 PHE 47 8.092 -0.157 2.380
362 HD1 PHE 47 HD2 PHE 47 11.336 0.401 0.576
363 HD2 PHE 47 HD1 PHE 47 7.213 1.547 1.015
364 HE1 PHE 47 HE2 PHE 47 11.499 1.744 -1.483
365 HE2 PHE 47 HE1 PHE 47 7.375 2.894 -1.061
366 HZ PHE 47 HZ PHE 47 9.512 2.992 -2.313
367 H ASP 48 HN ASP 48 11.525 -0.867 2.816
368 HA ASP 48 HA ASP 48 13.758 1.120 2.812
369 1HB ASP 48 HB2 ASP 48 13.730 -1.913 2.937
370 2HB ASP 48 HB1 ASP 48 15.147 -0.883 3.151
371 H ASP 49 HN ASP 49 14.271 1.794 0.776
372 HA ASP 49 HA ASP 49 13.188 0.573 -1.573
373 1HB ASP 49 HB2 ASP 49 13.711 2.859 -1.662
374 2HB ASP 49 HB1 ASP 49 15.299 2.622 -0.933
375 H THR 50 HN THR 50 15.630 -0.608 0.365
376 HA THR 50 HA THR 50 17.377 -1.624 -1.773
377 HB THR 50 HB THR 50 18.149 -0.888 0.493
378 HG1 THR 50 HG1 THR 50 19.640 -2.216 -0.145
379 1HG2 THR 50 HG22 THR 50 15.972 -2.188 1.441
380 2HG2 THR 50 HG21 THR 50 17.202 -3.423 1.709
381 3HG2 THR 50 HG23 THR 50 17.385 -1.825 2.432
382 H LYS 51 HN LYS 51 14.548 -2.698 -0.023
383 HA LYS 51 HA LYS 51 14.870 -5.396 -1.275
384 1HB LYS 51 HB2 LYS 51 14.658 -4.571 1.472
385 2HB LYS 51 HB1 LYS 51 13.274 -5.584 1.054
386 1HG LYS 51 HG2 LYS 51 14.551 -7.436 0.870
387 2HG LYS 51 HG1 LYS 51 15.792 -6.584 -0.049
388 1HD LYS 51 HD2 LYS 51 16.492 -5.516 2.171
389 2HD LYS 51 HD1 LYS 51 15.471 -6.723 2.954
390 1HE LYS 51 HE2 LYS 51 16.863 -8.349 1.301
391 2HE LYS 51 HE1 LYS 51 18.075 -7.078 1.556
392 1HZ LYS 51 HZ2 LYS 51 17.278 -7.252 4.002
393 2HZ LYS 51 HZ1 LYS 51 16.749 -8.800 3.541
394 3HZ LYS 51 HZ3 LYS 51 18.389 -8.391 3.407
395 H ALA 52 HN ALA 52 12.845 -2.661 -0.832
396 HA ALA 52 HA ALA 52 10.685 -4.036 -2.350
397 1HB ALA 52 HB3 ALA 52 10.643 -2.991 0.418
398 2HB ALA 52 HB2 ALA 52 9.274 -2.497 -0.578
399 3HB ALA 52 HB1 ALA 52 9.615 -4.210 -0.337
400 H SER 53 HN SER 53 8.879 -2.029 -2.562
401 HA SER 53 HA SER 53 9.816 0.633 -2.866
402 1HB SER 53 HB2 SER 53 10.883 -1.256 -4.729
403 2HB SER 53 HB1 SER 53 9.810 -0.172 -5.610
404 HG SER 53 HG SER 53 11.776 0.713 -3.768
405 H VAL 54 HN VAL 54 8.314 1.903 -4.367
406 HA VAL 54 HA VAL 54 5.626 1.527 -3.889
407 HB VAL 54 HB VAL 54 6.430 3.522 -4.955
408 1HG1 VAL 54 HG11 VAL 54 8.148 1.904 -6.314
409 2HG1 VAL 54 HG13 VAL 54 6.974 2.255 -7.581
410 3HG1 VAL 54 HG12 VAL 54 7.821 3.574 -6.773
411 1HG2 VAL 54 HG22 VAL 54 4.141 2.417 -5.674
412 2HG2 VAL 54 HG21 VAL 54 4.735 3.845 -6.523
413 3HG2 VAL 54 HG23 VAL 54 4.949 2.245 -7.231
414 H GLN 55 HN GLN 55 7.362 0.267 -6.768
415 HA GLN 55 HA GLN 55 5.312 -1.021 -8.121
416 1HB GLN 55 HB2 GLN 55 7.634 -0.979 -8.859
417 2HB GLN 55 HB1 GLN 55 8.126 -1.964 -7.481
418 1HG GLN 55 HG2 GLN 55 6.242 -3.591 -8.496
419 2HG GLN 55 HG1 GLN 55 6.724 -2.771 -9.982
420 1HE2 GLN 55 HE22 GLN 55 8.984 -5.734 -9.396
421 2HE2 GLN 55 HE21 GLN 55 7.299 -5.560 -9.518
422 H LYS 56 HN LYS 56 7.142 -2.331 -5.343
423 HA LYS 56 HA LYS 56 5.553 -4.754 -5.182
424 1HB LYS 56 HB2 LYS 56 7.499 -3.368 -3.313
425 2HB LYS 56 HB1 LYS 56 6.866 -4.994 -3.047
426 1HG LYS 56 HG2 LYS 56 8.289 -4.185 -5.593
427 2HG LYS 56 HG1 LYS 56 9.128 -4.888 -4.209
428 1HD LYS 56 HD2 LYS 56 6.870 -6.524 -4.662
429 2HD LYS 56 HD1 LYS 56 7.578 -6.220 -6.249
430 1HE LYS 56 HE2 LYS 56 9.102 -7.230 -3.818
431 2HE LYS 56 HE1 LYS 56 8.622 -8.209 -5.218
432 1HZ LYS 56 HZ3 LYS 56 9.748 -6.100 -6.411
433 2HZ LYS 56 HZ2 LYS 56 10.695 -6.190 -5.003
434 3HZ LYS 56 HZ1 LYS 56 10.587 -7.527 -6.046
435 H LEU 57 HN LEU 57 5.274 -1.534 -3.712
436 HA LEU 57 HA LEU 57 3.514 -2.331 -1.562
437 1HB LEU 57 HB2 LEU 57 3.705 0.300 -3.065
438 2HB LEU 57 HB1 LEU 57 3.076 0.071 -1.436
439 HG LEU 57 HG LEU 57 5.935 -0.476 -2.296
440 1HD1 LEU 57 HD12 LEU 57 4.505 1.915 -1.410
441 2HD1 LEU 57 HD11 LEU 57 5.877 1.530 -0.370
442 3HD1 LEU 57 HD13 LEU 57 6.121 1.769 -2.101
443 1HD2 LEU 57 HD23 LEU 57 4.754 -1.761 -0.296
444 2HD2 LEU 57 HD22 LEU 57 6.380 -1.109 -0.093
445 3HD2 LEU 57 HD21 LEU 57 4.991 -0.230 0.547
446 H THR 58 HN THR 58 2.825 -0.700 -4.679
447 HA THR 58 HA THR 58 0.008 -0.917 -4.614
448 HB THR 58 HB THR 58 2.092 -0.837 -6.806
449 HG1 THR 58 HG1 THR 58 0.132 1.028 -5.967
450 1HG2 THR 58 HG22 THR 58 -0.902 -1.055 -7.017
451 2HG2 THR 58 HG21 THR 58 0.021 -0.184 -8.241
452 3HG2 THR 58 HG23 THR 58 0.337 -1.895 -7.951
453 H LYS 59 HN LYS 59 2.491 -3.292 -5.444
454 HA LYS 59 HA LYS 59 0.645 -5.176 -6.630
455 1HB LYS 59 HB2 LYS 59 3.318 -4.782 -6.702
456 2HB LYS 59 HB1 LYS 59 3.242 -6.045 -5.473
457 1HG LYS 59 HG2 LYS 59 1.896 -7.445 -7.018
458 2HG LYS 59 HG1 LYS 59 2.041 -6.194 -8.254
459 1HD LYS 59 HD2 LYS 59 4.607 -6.429 -7.853
460 2HD LYS 59 HD1 LYS 59 4.185 -7.975 -7.114
461 1HE LYS 59 HE2 LYS 59 2.812 -7.568 -9.670
462 2HE LYS 59 HE1 LYS 59 4.579 -7.561 -9.835
463 1HZ LYS 59 HZ1 LYS 59 3.012 -9.588 -8.328
464 2HZ LYS 59 HZ3 LYS 59 3.668 -9.825 -9.874
465 3HZ LYS 59 HZ2 LYS 59 4.697 -9.582 -8.544
466 H ALA 60 HN ALA 60 1.891 -4.524 -3.416
467 HA ALA 60 HA ALA 60 1.091 -7.001 -2.214
468 1HB ALA 60 HB1 ALA 60 2.515 -4.701 -1.544
469 2HB ALA 60 HB3 ALA 60 1.098 -4.635 -0.498
470 3HB ALA 60 HB2 ALA 60 2.160 -6.041 -0.453
471 H THR 61 HN THR 61 -0.399 -3.758 -2.375
472 HA THR 61 HA THR 61 -2.832 -4.535 -1.017
473 HB THR 61 HB THR 61 -1.947 -2.207 -1.224
474 HG1 THR 61 HG1 THR 61 -4.319 -2.146 -2.676
475 1HG2 THR 61 HG21 THR 61 -2.642 -2.614 -4.143
476 2HG2 THR 61 HG23 THR 61 -2.198 -1.068 -3.420
477 3HG2 THR 61 HG22 THR 61 -1.026 -2.384 -3.477
478 H ALA 62 HN ALA 62 -1.645 -4.448 -4.265
479 HA ALA 62 HA ALA 62 -4.127 -4.977 -5.634
480 1HB ALA 62 HB2 ALA 62 -1.182 -5.249 -6.244
481 2HB ALA 62 HB1 ALA 62 -2.393 -5.784 -7.409
482 3HB ALA 62 HB3 ALA 62 -2.336 -4.094 -6.911
483 H ASP 63 HN ASP 63 -1.776 -6.908 -3.934
484 HA ASP 63 HA ASP 63 -2.859 -9.462 -4.960
485 1HB ASP 63 HB2 ASP 63 -0.395 -8.800 -4.388
486 2HB ASP 63 HB1 ASP 63 -0.880 -9.067 -2.714
487 H ALA 64 HN ALA 64 -3.461 -7.212 -2.450
488 HA ALA 64 HA ALA 64 -4.486 -9.128 -0.483
489 1HB ALA 64 HB1 ALA 64 -3.519 -6.621 -0.349
490 2HB ALA 64 HB3 ALA 64 -5.229 -6.229 -0.524
491 3HB ALA 64 HB2 ALA 64 -4.686 -7.223 0.829
492 H GLY 65 HN GLY 65 -5.662 -7.232 -3.176
493 1HA GLY 65 HA2 GLY 65 -7.774 -8.492 -4.100
494 2HA GLY 65 HA1 GLY 65 -8.456 -8.031 -2.546
495 H TYR 66 HN TYR 66 -6.263 -5.822 -4.210
496 HA TYR 66 HA TYR 66 -8.553 -4.284 -5.305
497 1HB TYR 66 HB2 TYR 66 -6.597 -3.102 -3.321
498 2HB TYR 66 HB1 TYR 66 -8.057 -2.352 -3.957
499 HD1 TYR 66 HD1 TYR 66 -10.276 -3.641 -3.520
500 HD2 TYR 66 HD2 TYR 66 -6.645 -4.181 -1.312
501 HE1 TYR 66 HE1 TYR 66 -11.572 -4.531 -1.614
502 HE2 TYR 66 HE2 TYR 66 -7.925 -5.059 0.587
503 HH TYR 66 HH TYR 66 -9.967 -5.426 1.439
504 HA PRO 67 HA PRO 67 -5.010 -3.938 -8.179
505 1HB PRO 67 HB2 PRO 67 -6.915 -2.465 -9.821
506 2HB PRO 67 HB1 PRO 67 -6.164 -4.029 -10.152
507 1HG PRO 67 HG2 PRO 67 -8.873 -3.549 -9.427
508 2HG PRO 67 HG1 PRO 67 -8.079 -5.116 -9.613
509 1HD PRO 67 HD2 PRO 67 -8.965 -3.853 -7.164
510 2HD PRO 67 HD1 PRO 67 -8.185 -5.443 -7.355
511 H SER 68 HN SER 68 -3.830 -2.366 -6.985
512 HA SER 68 HA SER 68 -5.035 0.352 -6.782
513 1HB SER 68 HB2 SER 68 -4.201 0.258 -4.685
514 2HB SER 68 HB1 SER 68 -3.766 -1.413 -5.016
515 HG SER 68 HG SER 68 -2.132 0.512 -4.485
516 H SER 69 HN SER 69 -2.927 1.923 -6.371
517 HA SER 69 HA SER 69 -0.887 1.634 -8.492
518 1HB SER 69 HB2 SER 69 -1.941 3.054 -9.921
519 2HB SER 69 HB1 SER 69 -3.356 2.968 -8.877
520 HG SER 69 HG SER 69 -2.158 5.101 -9.350
521 H VAL 70 HN VAL 70 0.105 4.253 -8.314
522 HA VAL 70 HA VAL 70 0.391 4.692 -5.386
523 HB VAL 70 HB VAL 70 2.089 3.190 -6.562
524 1HG1 VAL 70 HG12 VAL 70 2.198 5.347 -8.316
525 2HG1 VAL 70 HG11 VAL 70 3.679 5.508 -7.373
526 3HG1 VAL 70 HG13 VAL 70 3.351 4.014 -8.250
527 1HG2 VAL 70 HG21 VAL 70 2.369 5.226 -4.554
528 2HG2 VAL 70 HG23 VAL 70 3.233 3.695 -4.677
529 3HG2 VAL 70 HG22 VAL 70 3.875 5.134 -5.466
530 H LYS 71 HN LYS 71 1.201 6.812 -4.801
531 HA LYS 71 HA LYS 71 0.847 8.822 -7.009
532 1HB LYS 71 HB2 LYS 71 0.306 9.800 -4.305
533 2HB LYS 71 HB1 LYS 71 -0.706 9.902 -5.743
534 1HG LYS 71 HG2 LYS 71 -1.490 7.607 -5.384
535 2HG LYS 71 HG1 LYS 71 -0.431 7.448 -3.982
536 1HD LYS 71 HD2 LYS 71 -2.075 8.297 -2.710
537 2HD LYS 71 HD1 LYS 71 -1.904 9.820 -3.580
538 1HE LYS 71 HE2 LYS 71 -3.376 7.989 -5.238
539 2HE LYS 71 HE1 LYS 71 -4.133 8.053 -3.633
540 1HZ LYS 71 HZ1 LYS 71 -3.210 10.497 -5.022
541 2HZ LYS 71 HZ3 LYS 71 -4.768 9.876 -5.271
542 3HZ LYS 71 HZ2 LYS 71 -4.291 10.370 -3.717
543 H GLN 72 HN GLN 72 3.208 7.501 -5.906
544 HA GLN 72 HA GLN 72 5.367 8.049 -5.024
545 1HB GLN 72 HB2 GLN 72 4.747 10.579 -6.570
546 2HB GLN 72 HB1 GLN 72 6.309 9.778 -6.396
547 1HG GLN 72 HG2 GLN 72 5.229 7.754 -7.539
548 2HG GLN 72 HG1 GLN 72 3.904 8.838 -7.966
549 1HE2 GLN 72 HE22 GLN 72 6.352 8.945 -10.772
550 2HE2 GLN 72 HE21 GLN 72 5.367 7.755 -10.070
No H/Q in entry = 550
Start of MODEL 19
1 1H ALA 1 HT2 ALA 1 16.461 1.015 0.368
2 2H ALA 1 HT1 ALA 1 17.746 1.611 -0.570
3 3H ALA 1 HT3 ALA 1 17.931 1.438 1.107
4 HA ALA 1 HA ALA 1 17.533 3.692 0.968
5 1HB ALA 1 HB3 ALA 1 17.206 3.346 -1.534
6 2HB ALA 1 HB2 ALA 1 15.499 3.068 -1.188
7 3HB ALA 1 HB1 ALA 1 16.231 4.631 -0.823
8 H THR 2 HN THR 2 15.097 4.926 0.983
9 HA THR 2 HA THR 2 13.172 3.302 2.487
10 HB THR 2 HB THR 2 14.417 4.068 4.287
11 HG1 THR 2 HG1 THR 2 12.143 5.007 4.030
12 1HG2 THR 2 HG23 THR 2 14.981 6.419 2.523
13 2HG2 THR 2 HG22 THR 2 15.148 6.606 4.268
14 3HG2 THR 2 HG21 THR 2 16.113 5.402 3.414
15 H GLN 3 HN GLN 3 11.860 3.678 0.670
16 HA GLN 3 HA GLN 3 11.182 6.537 0.085
17 1HB GLN 3 HB2 GLN 3 11.486 4.041 -1.426
18 2HB GLN 3 HB1 GLN 3 10.048 4.959 -1.875
19 1HG GLN 3 HG2 GLN 3 11.295 6.845 -2.512
20 2HG GLN 3 HG1 GLN 3 12.707 6.340 -1.582
21 1HE2 GLN 3 HE22 GLN 3 14.065 4.417 -4.208
22 2HE2 GLN 3 HE21 GLN 3 14.242 4.990 -2.620
23 H THR 4 HN THR 4 9.003 7.170 -0.134
24 HA THR 4 HA THR 4 6.981 5.338 1.110
25 HB THR 4 HB THR 4 7.658 7.163 2.611
26 HG1 THR 4 HG1 THR 4 5.150 7.205 1.384
27 1HG2 THR 4 HG21 THR 4 7.650 8.639 0.108
28 2HG2 THR 4 HG23 THR 4 6.722 9.478 1.351
29 3HG2 THR 4 HG22 THR 4 8.408 9.054 1.645
30 H VAL 5 HN VAL 5 4.975 5.280 0.039
31 HA VAL 5 HA VAL 5 4.480 7.157 -2.244
32 HB VAL 5 HB VAL 5 4.193 4.216 -2.695
33 1HG1 VAL 5 HG13 VAL 5 3.753 6.441 -4.208
34 2HG1 VAL 5 HG12 VAL 5 5.389 6.010 -4.706
35 3HG1 VAL 5 HG11 VAL 5 4.079 4.840 -4.874
36 1HG2 VAL 5 HG22 VAL 5 6.832 5.709 -2.884
37 2HG2 VAL 5 HG21 VAL 5 6.470 4.398 -1.762
38 3HG2 VAL 5 HG23 VAL 5 6.542 4.081 -3.496
39 H THR 6 HN THR 6 2.236 6.951 -2.978
40 HA THR 6 HA THR 6 0.504 5.789 -0.839
41 HB THR 6 HB THR 6 0.126 8.161 -1.148
42 HG1 THR 6 HG1 THR 6 -2.013 7.949 -2.372
43 1HG2 THR 6 HG22 THR 6 0.374 7.395 -4.016
44 2HG2 THR 6 HG21 THR 6 -0.681 8.751 -3.615
45 3HG2 THR 6 HG23 THR 6 1.026 8.801 -3.173
46 H LEU 7 HN LEU 7 -1.386 4.663 -1.688
47 HA LEU 7 HA LEU 7 -0.924 3.558 -4.417
48 1HB LEU 7 HB2 LEU 7 -0.986 2.381 -1.729
49 2HB LEU 7 HB1 LEU 7 -2.022 1.534 -2.877
50 HG LEU 7 HG LEU 7 -0.242 1.002 -4.283
51 1HD1 LEU 7 HD13 LEU 7 1.269 3.229 -2.948
52 2HD1 LEU 7 HD12 LEU 7 2.049 2.045 -3.993
53 3HD1 LEU 7 HD11 LEU 7 0.804 3.098 -4.638
54 1HD2 LEU 7 HD22 LEU 7 -0.010 -0.211 -2.132
55 2HD2 LEU 7 HD21 LEU 7 1.565 0.081 -2.870
56 3HD2 LEU 7 HD23 LEU 7 1.019 1.089 -1.531
57 H ALA 8 HN ALA 8 -2.860 2.635 -5.384
58 HA ALA 8 HA ALA 8 -5.318 4.103 -4.496
59 1HB ALA 8 HB2 ALA 8 -4.002 3.452 -7.050
60 2HB ALA 8 HB1 ALA 8 -5.750 3.220 -7.067
61 3HB ALA 8 HB3 ALA 8 -5.074 4.794 -6.650
62 H VAL 9 HN VAL 9 -6.357 2.618 -3.133
63 HA VAL 9 HA VAL 9 -6.925 -0.113 -4.261
64 HB VAL 9 HB VAL 9 -5.626 -0.165 -2.197
65 1HG1 VAL 9 HG13 VAL 9 -7.274 2.143 -1.586
66 2HG1 VAL 9 HG12 VAL 9 -7.306 0.985 -0.257
67 3HG1 VAL 9 HG11 VAL 9 -5.767 1.627 -0.832
68 1HG2 VAL 9 HG21 VAL 9 -8.458 -1.004 -2.193
69 2HG2 VAL 9 HG23 VAL 9 -7.008 -1.926 -1.792
70 3HG2 VAL 9 HG22 VAL 9 -7.735 -0.866 -0.589
71 HA PRO 10 HA PRO 10 -10.909 2.198 -4.257
72 1HB PRO 10 HB2 PRO 10 -11.751 0.853 -6.565
73 2HB PRO 10 HB1 PRO 10 -10.970 2.437 -6.510
74 1HG PRO 10 HG2 PRO 10 -9.894 -0.092 -7.471
75 2HG PRO 10 HG1 PRO 10 -9.215 1.531 -7.626
76 1HD PRO 10 HD2 PRO 10 -8.370 -0.582 -5.843
77 2HD PRO 10 HD1 PRO 10 -7.680 1.052 -6.012
78 H GLY 11 HN GLY 11 -10.562 -0.146 -2.530
79 1HA GLY 11 HA2 GLY 11 -12.797 -1.916 -3.355
80 2HA GLY 11 HA1 GLY 11 -11.699 -2.216 -2.009
81 H MET 12 HN MET 12 -11.897 0.489 -0.938
82 HA MET 12 HA MET 12 -13.193 1.630 0.659
83 1HB MET 12 HB2 MET 12 -15.282 0.766 -1.374
84 2HB MET 12 HB1 MET 12 -15.544 1.992 -0.133
85 1HG MET 12 HG2 MET 12 -13.101 2.570 -1.539
86 2HG MET 12 HG1 MET 12 -14.406 2.351 -2.705
87 1HE MET 12 HE3 MET 12 -13.736 4.405 -3.380
88 2HE MET 12 HE2 MET 12 -14.811 5.767 -3.076
89 3HE MET 12 HE1 MET 12 -13.244 5.695 -2.274
90 H THR 13 HN THR 13 -15.844 -0.496 -0.180
91 HA THR 13 HA THR 13 -16.955 -2.129 1.096
92 HB THR 13 HB THR 13 -14.181 -2.623 0.934
93 HG1 THR 13 HG1 THR 13 -15.962 -3.968 0.326
94 1HG2 THR 13 HG22 THR 13 -14.132 -2.056 3.389
95 2HG2 THR 13 HG21 THR 13 -15.182 -3.447 3.659
96 3HG2 THR 13 HG23 THR 13 -13.568 -3.677 2.985
97 H CYS 14 HN CYS 14 -15.936 0.694 2.262
98 HA CYS 14 HA CYS 14 -16.525 1.914 4.178
99 1HB CYS 14 HB2 CYS 14 -18.287 -0.287 3.947
100 2HB CYS 14 HB1 CYS 14 -17.849 -0.175 5.652
101 HG CYS 14 HG CYS 14 -18.460 2.576 4.992
102 H ALA 15 HN ALA 15 -14.753 2.325 5.381
103 HA ALA 15 HA ALA 15 -12.864 1.924 6.784
104 1HB ALA 15 HB2 ALA 15 -15.283 2.149 7.965
105 2HB ALA 15 HB1 ALA 15 -14.777 0.588 8.613
106 3HB ALA 15 HB3 ALA 15 -13.778 2.018 8.875
107 H ALA 16 HN ALA 16 -12.780 -0.192 4.962
108 HA ALA 16 HA ALA 16 -11.695 -2.322 6.701
109 1HB ALA 16 HB1 ALA 16 -14.228 -2.450 5.256
110 2HB ALA 16 HB3 ALA 16 -13.136 -3.757 4.797
111 3HB ALA 16 HB2 ALA 16 -13.588 -3.538 6.487
112 H CYS 17 HN CYS 17 -12.307 -1.173 3.359
113 HA CYS 17 HA CYS 17 -10.366 -2.730 2.001
114 1HB CYS 17 HB2 CYS 17 -12.124 -1.138 1.092
115 2HB CYS 17 HB1 CYS 17 -11.001 0.172 1.455
116 HG CYS 17 HG CYS 17 -9.919 -0.382 -0.691
117 HA PRO 18 HA PRO 18 -7.152 0.673 3.135
118 1HB PRO 18 HB2 PRO 18 -7.936 2.205 5.370
119 2HB PRO 18 HB1 PRO 18 -7.965 2.720 3.681
120 1HG PRO 18 HG2 PRO 18 -10.206 2.193 5.413
121 2HG PRO 18 HG1 PRO 18 -10.227 2.757 3.739
122 1HD PRO 18 HD2 PRO 18 -10.824 0.090 4.771
123 2HD PRO 18 HD1 PRO 18 -11.053 0.721 3.127
124 H ILE 19 HN ILE 19 -8.766 -1.380 5.307
125 HA ILE 19 HA ILE 19 -6.689 -1.242 7.419
126 HB ILE 19 HB ILE 19 -9.291 -2.717 6.972
127 1HG1 ILE 19 HG12 ILE 19 -8.301 -0.820 9.125
128 2HG1 ILE 19 HG11 ILE 19 -9.375 -0.387 7.794
129 1HG2 ILE 19 HG21 ILE 19 -7.094 -3.278 8.943
130 2HG2 ILE 19 HG23 ILE 19 -8.774 -3.519 9.421
131 3HG2 ILE 19 HG22 ILE 19 -8.109 -4.416 8.056
132 1HD1 ILE 19 HD13 ILE 19 -10.424 -2.709 9.122
133 2HD1 ILE 19 HD12 ILE 19 -10.095 -1.460 10.323
134 3HD1 ILE 19 HD11 ILE 19 -11.156 -1.113 8.958
135 H THR 20 HN THR 20 -7.843 -3.293 4.826
136 HA THR 20 HA THR 20 -6.042 -5.513 5.349
137 HB THR 20 HB THR 20 -7.993 -4.567 3.281
138 HG1 THR 20 HG1 THR 20 -8.873 -5.774 4.857
139 1HG2 THR 20 HG22 THR 20 -6.041 -6.841 2.895
140 2HG2 THR 20 HG21 THR 20 -7.468 -6.566 1.896
141 3HG2 THR 20 HG23 THR 20 -6.164 -5.379 1.916
142 H VAL 21 HN VAL 21 -6.093 -2.610 3.299
143 HA VAL 21 HA VAL 21 -3.750 -3.236 1.768
144 HB VAL 21 HB VAL 21 -5.063 -0.627 2.607
145 1HG1 VAL 21 HG11 VAL 21 -2.827 -1.246 0.682
146 2HG1 VAL 21 HG13 VAL 21 -3.860 0.163 0.446
147 3HG1 VAL 21 HG12 VAL 21 -2.900 0.010 1.918
148 1HG2 VAL 21 HG23 VAL 21 -5.822 -2.689 0.778
149 2HG2 VAL 21 HG22 VAL 21 -6.616 -1.140 1.061
150 3HG2 VAL 21 HG21 VAL 21 -5.360 -1.271 -0.164
151 H LYS 22 HN LYS 22 -4.316 -1.359 4.735
152 HA LYS 22 HA LYS 22 -1.711 -0.466 5.289
153 1HB LYS 22 HB2 LYS 22 -3.983 -0.143 6.504
154 2HB LYS 22 HB1 LYS 22 -3.564 -1.616 7.380
155 1HG LYS 22 HG2 LYS 22 -1.810 -0.620 8.500
156 2HG LYS 22 HG1 LYS 22 -1.487 0.521 7.195
157 1HD LYS 22 HD2 LYS 22 -3.245 1.947 7.838
158 2HD LYS 22 HD1 LYS 22 -4.039 0.690 8.786
159 1HE LYS 22 HE2 LYS 22 -1.296 1.288 9.690
160 2HE LYS 22 HE1 LYS 22 -2.431 2.642 9.867
161 1HZ LYS 22 HZ2 LYS 22 -4.039 0.914 10.749
162 2HZ LYS 22 HZ1 LYS 22 -2.699 -0.118 10.906
163 3HZ LYS 22 HZ3 LYS 22 -2.752 1.337 11.775
164 H LYS 23 HN LYS 23 -3.187 -3.538 6.441
165 HA LYS 23 HA LYS 23 -0.669 -4.527 7.463
166 1HB LYS 23 HB2 LYS 23 -1.961 -6.411 8.085
167 2HB LYS 23 HB1 LYS 23 -3.104 -5.069 8.129
168 1HG LYS 23 HG2 LYS 23 -4.314 -6.621 6.898
169 2HG LYS 23 HG1 LYS 23 -3.503 -5.740 5.604
170 1HD LYS 23 HD2 LYS 23 -2.188 -7.511 5.051
171 2HD LYS 23 HD1 LYS 23 -1.933 -7.967 6.735
172 1HE LYS 23 HE2 LYS 23 -3.261 -9.672 5.434
173 2HE LYS 23 HE1 LYS 23 -4.150 -9.016 6.824
174 1HZ LYS 23 HZ3 LYS 23 -4.336 -7.474 4.372
175 2HZ LYS 23 HZ2 LYS 23 -5.102 -8.990 4.327
176 3HZ LYS 23 HZ1 LYS 23 -5.537 -7.849 5.509
177 H ALA 24 HN ALA 24 -1.937 -4.409 4.286
178 HA ALA 24 HA ALA 24 -0.707 -6.826 3.291
179 1HB ALA 24 HB2 ALA 24 -1.781 -4.308 1.993
180 2HB ALA 24 HB1 ALA 24 -1.284 -5.741 1.092
181 3HB ALA 24 HB3 ALA 24 -2.645 -5.829 2.211
182 H LEU 25 HN LEU 25 -0.019 -3.399 2.582
183 HA LEU 25 HA LEU 25 2.553 -3.778 1.451
184 1HB LEU 25 HB2 LEU 25 1.360 -1.471 3.017
185 2HB LEU 25 HB1 LEU 25 2.738 -1.351 1.918
186 HG LEU 25 HG LEU 25 0.893 -2.651 0.366
187 1HD1 LEU 25 HD12 LEU 25 -0.519 -1.171 2.465
188 2HD1 LEU 25 HD11 LEU 25 -1.024 -0.761 0.825
189 3HD1 LEU 25 HD13 LEU 25 -1.104 -2.432 1.379
190 1HD2 LEU 25 HD22 LEU 25 2.107 -0.037 0.577
191 2HD2 LEU 25 HD21 LEU 25 1.649 -0.934 -0.871
192 3HD2 LEU 25 HD23 LEU 25 0.469 0.097 -0.064
193 H SER 26 HN SER 26 1.512 -3.405 4.806
194 HA SER 26 HA SER 26 4.170 -3.064 5.918
195 1HB SER 26 HB2 SER 26 2.706 -2.483 7.556
196 2HB SER 26 HB1 SER 26 1.388 -3.341 6.765
197 HG SER 26 HG SER 26 3.313 -4.297 8.594
198 H LYS 27 HN LYS 27 2.185 -5.823 4.978
199 HA LYS 27 HA LYS 27 3.953 -7.720 6.345
200 1HB LYS 27 HB2 LYS 27 1.818 -8.564 6.390
201 2HB LYS 27 HB1 LYS 27 1.350 -7.673 4.946
202 1HG LYS 27 HG2 LYS 27 3.242 -9.992 4.715
203 2HG LYS 27 HG1 LYS 27 1.504 -10.276 4.828
204 1HD LYS 27 HD2 LYS 27 2.020 -8.130 2.972
205 2HD LYS 27 HD1 LYS 27 2.966 -9.549 2.522
206 1HE LYS 27 HE2 LYS 27 0.335 -10.414 3.302
207 2HE LYS 27 HE1 LYS 27 0.190 -9.133 2.082
208 1HZ LYS 27 HZ3 LYS 27 2.033 -10.320 0.870
209 2HZ LYS 27 HZ2 LYS 27 1.776 -11.633 1.918
210 3HZ LYS 27 HZ1 LYS 27 0.535 -11.115 0.879
211 H VAL 28 HN VAL 28 3.940 -6.053 3.414
212 HA VAL 28 HA VAL 28 4.771 -7.749 1.396
213 HB VAL 28 HB VAL 28 5.568 -5.006 2.330
214 1HG1 VAL 28 HG12 VAL 28 6.992 -6.670 0.301
215 2HG1 VAL 28 HG11 VAL 28 6.681 -4.984 -0.110
216 3HG1 VAL 28 HG13 VAL 28 7.614 -5.382 1.332
217 1HG2 VAL 28 HG22 VAL 28 3.406 -5.400 1.200
218 2HG2 VAL 28 HG21 VAL 28 4.457 -4.376 0.222
219 3HG2 VAL 28 HG23 VAL 28 4.256 -6.080 -0.187
220 H GLU 29 HN GLU 29 7.354 -6.014 3.071
221 HA GLU 29 HA GLU 29 8.747 -8.163 4.271
222 1HB GLU 29 HB2 GLU 29 8.801 -8.032 1.337
223 2HB GLU 29 HB1 GLU 29 10.415 -8.059 2.049
224 1HG GLU 29 HG2 GLU 29 8.784 -9.941 3.455
225 2HG GLU 29 HG1 GLU 29 8.607 -10.238 1.725
226 H GLY 30 HN GLY 30 9.568 -5.580 1.928
227 1HA GLY 30 HA2 GLY 30 11.699 -4.601 3.706
228 2HA GLY 30 HA1 GLY 30 11.292 -3.949 2.116
229 H VAL 31 HN VAL 31 8.384 -3.859 2.890
230 HA VAL 31 HA VAL 31 8.126 -1.164 3.647
231 HB VAL 31 HB VAL 31 6.354 -3.583 4.051
232 1HG1 VAL 31 HG11 VAL 31 5.762 -0.636 4.459
233 2HG1 VAL 31 HG13 VAL 31 4.517 -1.878 4.322
234 3HG1 VAL 31 HG12 VAL 31 5.656 -1.916 5.668
235 1HG2 VAL 31 HG21 VAL 31 6.603 -1.388 1.985
236 2HG2 VAL 31 HG23 VAL 31 6.661 -3.132 1.735
237 3HG2 VAL 31 HG22 VAL 31 5.133 -2.350 2.137
238 H SER 32 HN SER 32 8.278 -0.086 5.482
239 HA SER 32 HA SER 32 8.707 -1.638 8.012
240 1HB SER 32 HB2 SER 32 9.881 0.869 6.839
241 2HB SER 32 HB1 SER 32 9.876 0.654 8.587
242 HG SER 32 HG SER 32 10.805 -1.508 8.035
243 H LYS 33 HN LYS 33 6.752 0.599 6.347
244 HA LYS 33 HA LYS 33 5.045 0.921 8.750
245 1HB LYS 33 HB2 LYS 33 6.334 2.806 9.173
246 2HB LYS 33 HB1 LYS 33 6.733 3.040 7.477
247 1HG LYS 33 HG2 LYS 33 5.264 4.830 8.021
248 2HG LYS 33 HG1 LYS 33 4.259 3.677 7.149
249 1HD LYS 33 HD2 LYS 33 2.886 3.556 8.926
250 2HD LYS 33 HD1 LYS 33 4.219 2.925 9.895
251 1HE LYS 33 HE2 LYS 33 3.928 4.842 11.117
252 2HE LYS 33 HE1 LYS 33 4.822 5.615 9.792
253 1HZ LYS 33 HZ3 LYS 33 1.921 5.124 9.572
254 2HZ LYS 33 HZ2 LYS 33 2.498 6.513 10.363
255 3HZ LYS 33 HZ1 LYS 33 2.875 6.243 8.728
256 H VAL 34 HN VAL 34 2.899 1.798 8.123
257 HA VAL 34 HA VAL 34 2.334 2.080 5.239
258 HB VAL 34 HB VAL 34 2.459 -0.384 5.793
259 1HG1 VAL 34 HG11 VAL 34 0.777 0.519 7.958
260 2HG1 VAL 34 HG13 VAL 34 -0.079 -0.695 7.008
261 3HG1 VAL 34 HG12 VAL 34 1.494 -1.071 7.708
262 1HG2 VAL 34 HG21 VAL 34 -0.225 0.768 4.970
263 2HG2 VAL 34 HG23 VAL 34 1.123 0.384 3.900
264 3HG2 VAL 34 HG22 VAL 34 0.257 -0.910 4.725
265 H ASP 35 HN ASP 35 0.125 2.847 4.877
266 HA ASP 35 HA ASP 35 -1.566 3.404 7.228
267 1HB ASP 35 HB2 ASP 35 0.365 5.278 6.096
268 2HB ASP 35 HB1 ASP 35 -1.272 5.934 6.080
269 H VAL 36 HN VAL 36 -3.548 4.707 6.460
270 HA VAL 36 HA VAL 36 -4.116 4.340 3.560
271 HB VAL 36 HB VAL 36 -6.266 3.207 4.252
272 1HG1 VAL 36 HG12 VAL 36 -3.760 2.164 3.853
273 2HG1 VAL 36 HG11 VAL 36 -4.192 1.464 5.412
274 3HG1 VAL 36 HG13 VAL 36 -5.227 1.202 4.008
275 1HG2 VAL 36 HG21 VAL 36 -4.987 3.649 6.913
276 2HG2 VAL 36 HG23 VAL 36 -6.694 3.649 6.475
277 3HG2 VAL 36 HG22 VAL 36 -5.833 2.123 6.671
278 H GLY 37 HN GLY 37 -5.956 5.611 2.860
279 1HA GLY 37 HA2 GLY 37 -7.099 7.506 4.826
280 2HA GLY 37 HA1 GLY 37 -6.230 8.188 3.451
281 H PHE 38 HN PHE 38 -9.229 6.989 4.521
282 HA PHE 38 HA PHE 38 -10.339 6.092 2.016
283 1HB PHE 38 HB2 PHE 38 -11.103 6.494 4.753
284 2HB PHE 38 HB1 PHE 38 -12.321 7.245 3.723
285 HD1 PHE 38 HD2 PHE 38 -12.727 5.707 1.450
286 HD2 PHE 38 HD1 PHE 38 -11.570 4.298 5.340
287 HE1 PHE 38 HE2 PHE 38 -13.650 3.467 0.912
288 HE2 PHE 38 HE1 PHE 38 -12.492 2.060 4.802
289 HZ PHE 38 HZ PHE 38 -13.549 1.648 2.599
290 H GLU 39 HN GLU 39 -9.775 9.231 3.451
291 HA GLU 39 HA GLU 39 -11.608 10.850 2.012
292 1HB GLU 39 HB2 GLU 39 -9.813 11.300 3.893
293 2HB GLU 39 HB1 GLU 39 -8.751 11.650 2.529
294 1HG GLU 39 HG2 GLU 39 -10.266 13.367 1.721
295 2HG GLU 39 HG1 GLU 39 -11.454 12.951 2.957
296 H LYS 40 HN LYS 40 -8.749 9.139 1.008
297 HA LYS 40 HA LYS 40 -9.150 10.132 -1.777
298 1HB LYS 40 HB2 LYS 40 -7.286 11.296 -0.431
299 2HB LYS 40 HB1 LYS 40 -6.435 9.752 -0.500
300 1HG LYS 40 HG2 LYS 40 -5.740 11.235 -2.354
301 2HG LYS 40 HG1 LYS 40 -6.546 9.789 -2.961
302 1HD LYS 40 HD2 LYS 40 -8.602 10.992 -3.319
303 2HD LYS 40 HD1 LYS 40 -7.980 12.413 -2.480
304 1HE LYS 40 HE2 LYS 40 -6.282 11.512 -4.721
305 2HE LYS 40 HE1 LYS 40 -7.890 12.089 -5.203
306 1HZ LYS 40 HZ3 LYS 40 -6.095 13.518 -3.316
307 2HZ LYS 40 HZ2 LYS 40 -6.239 13.901 -4.964
308 3HZ LYS 40 HZ1 LYS 40 -7.575 14.076 -3.928
309 H ARG 41 HN ARG 41 -9.890 7.631 -0.413
310 HA ARG 41 HA ARG 41 -9.414 5.292 -0.431
311 1HB ARG 41 HB2 ARG 41 -11.024 6.113 -2.123
312 2HB ARG 41 HB1 ARG 41 -9.701 6.233 -3.283
313 1HG ARG 41 HG2 ARG 41 -10.918 4.131 -3.561
314 2HG ARG 41 HG1 ARG 41 -9.261 3.841 -3.035
315 1HD ARG 41 HD2 ARG 41 -11.403 4.095 -0.947
316 2HD ARG 41 HD1 ARG 41 -11.242 2.567 -1.834
317 HE ARG 41 HE ARG 41 -8.630 3.303 -1.135
318 1HH1 ARG 41 HH21 ARG 41 -11.619 2.667 0.466
319 2HH1 ARG 41 HH22 ARG 41 -10.866 2.101 1.918
320 1HH2 ARG 41 HH11 ARG 41 -7.638 2.559 0.745
321 2HH2 ARG 41 HH12 ARG 41 -8.615 2.027 2.072
322 H GLU 42 HN GLU 42 -6.902 6.014 0.028
323 HA GLU 42 HA GLU 42 -5.349 4.406 -1.928
324 1HB GLU 42 HB2 GLU 42 -3.654 6.248 -2.067
325 2HB GLU 42 HB1 GLU 42 -5.222 6.723 -2.722
326 1HG GLU 42 HG2 GLU 42 -5.786 7.796 -0.560
327 2HG GLU 42 HG1 GLU 42 -4.196 7.352 0.063
328 H ALA 43 HN ALA 43 -3.008 4.056 -1.011
329 HA ALA 43 HA ALA 43 -3.115 4.124 1.995
330 1HB ALA 43 HB1 ALA 43 -2.253 1.907 0.104
331 2HB ALA 43 HB3 ALA 43 -1.967 1.867 1.844
332 3HB ALA 43 HB2 ALA 43 -3.617 1.877 1.221
333 H VAL 44 HN VAL 44 -1.294 5.076 2.877
334 HA VAL 44 HA VAL 44 0.990 5.633 1.028
335 HB VAL 44 HB VAL 44 -0.259 7.497 2.119
336 1HG1 VAL 44 HG13 VAL 44 -0.279 5.781 4.299
337 2HG1 VAL 44 HG12 VAL 44 0.877 7.025 4.773
338 3HG1 VAL 44 HG11 VAL 44 -0.768 7.475 4.321
339 1HG2 VAL 44 HG23 VAL 44 2.491 7.154 1.929
340 2HG2 VAL 44 HG22 VAL 44 1.670 8.681 2.255
341 3HG2 VAL 44 HG21 VAL 44 2.267 7.697 3.592
342 H VAL 45 HN VAL 45 2.673 4.260 1.283
343 HA VAL 45 HA VAL 45 3.212 3.185 4.030
344 HB VAL 45 HB VAL 45 2.175 1.656 2.339
345 1HG1 VAL 45 HG11 VAL 45 4.498 2.600 0.790
346 2HG1 VAL 45 HG13 VAL 45 4.233 0.860 0.731
347 3HG1 VAL 45 HG12 VAL 45 2.954 1.964 0.232
348 1HG2 VAL 45 HG23 VAL 45 4.880 1.141 3.541
349 2HG2 VAL 45 HG22 VAL 45 3.313 0.491 4.022
350 3HG2 VAL 45 HG21 VAL 45 4.105 -0.105 2.564
351 H THR 46 HN THR 46 5.351 2.862 4.621
352 HA THR 46 HA THR 46 7.440 4.220 2.959
353 HB THR 46 HB THR 46 6.853 3.913 5.891
354 HG1 THR 46 HG1 THR 46 6.330 5.835 4.860
355 1HG2 THR 46 HG22 THR 46 9.592 4.186 4.652
356 2HG2 THR 46 HG21 THR 46 9.245 4.771 6.280
357 3HG2 THR 46 HG23 THR 46 9.066 3.058 5.902
358 H PHE 47 HN PHE 47 9.529 2.993 2.810
359 HA PHE 47 HA PHE 47 9.653 0.336 3.991
360 1HB PHE 47 HB2 PHE 47 9.322 -0.915 1.930
361 2HB PHE 47 HB1 PHE 47 7.917 0.113 2.209
362 HD1 PHE 47 HD2 PHE 47 11.089 -0.199 0.230
363 HD2 PHE 47 HD1 PHE 47 7.347 1.880 0.727
364 HE1 PHE 47 HE2 PHE 47 11.396 0.883 -1.964
365 HE2 PHE 47 HE1 PHE 47 7.665 2.960 -1.478
366 HZ PHE 47 HZ PHE 47 9.677 2.462 -2.824
367 H ASP 48 HN ASP 48 11.376 -0.993 2.787
368 HA ASP 48 HA ASP 48 13.666 0.832 2.240
369 1HB ASP 48 HB2 ASP 48 13.710 -2.126 2.883
370 2HB ASP 48 HB1 ASP 48 15.022 -0.962 3.074
371 H ASP 49 HN ASP 49 14.279 0.933 0.127
372 HA ASP 49 HA ASP 49 12.960 -0.783 -1.826
373 1HB ASP 49 HB2 ASP 49 13.596 1.690 -1.966
374 2HB ASP 49 HB1 ASP 49 15.246 1.142 -2.270
375 H THR 50 HN THR 50 14.954 -2.058 0.100
376 HA THR 50 HA THR 50 17.009 -3.038 -1.824
377 HB THR 50 HB THR 50 17.730 -4.102 0.516
378 HG1 THR 50 HG1 THR 50 17.044 -2.214 2.003
379 1HG2 THR 50 HG22 THR 50 18.230 -1.589 -0.840
380 2HG2 THR 50 HG21 THR 50 18.416 -1.410 0.905
381 3HG2 THR 50 HG23 THR 50 19.356 -2.624 0.038
382 H LYS 51 HN LYS 51 14.228 -3.988 0.102
383 HA LYS 51 HA LYS 51 14.404 -6.744 -1.068
384 1HB LYS 51 HB2 LYS 51 13.690 -5.693 1.661
385 2HB LYS 51 HB1 LYS 51 13.030 -7.237 1.120
386 1HG LYS 51 HG2 LYS 51 15.222 -8.165 0.815
387 2HG LYS 51 HG1 LYS 51 15.986 -6.590 1.035
388 1HD LYS 51 HD2 LYS 51 16.192 -7.121 3.220
389 2HD LYS 51 HD1 LYS 51 14.443 -6.928 3.338
390 1HE LYS 51 HE2 LYS 51 14.108 -9.171 3.534
391 2HE LYS 51 HE1 LYS 51 15.260 -9.536 2.233
392 1HZ LYS 51 HZ3 LYS 51 16.274 -8.446 4.762
393 2HZ LYS 51 HZ2 LYS 51 15.854 -10.091 4.703
394 3HZ LYS 51 HZ1 LYS 51 17.038 -9.474 3.652
395 H ALA 52 HN ALA 52 12.663 -3.862 -0.935
396 HA ALA 52 HA ALA 52 10.316 -5.134 -2.244
397 1HB ALA 52 HB1 ALA 52 10.443 -4.125 0.460
398 2HB ALA 52 HB3 ALA 52 9.322 -3.146 -0.485
399 3HB ALA 52 HB2 ALA 52 9.084 -4.890 -0.363
400 H SER 53 HN SER 53 8.751 -2.859 -2.452
401 HA SER 53 HA SER 53 10.075 -0.426 -3.085
402 1HB SER 53 HB2 SER 53 10.611 -2.619 -4.849
403 2HB SER 53 HB1 SER 53 9.664 -1.424 -5.732
404 HG SER 53 HG SER 53 11.825 -0.878 -5.882
405 H VAL 54 HN VAL 54 8.656 1.000 -4.448
406 HA VAL 54 HA VAL 54 5.974 1.040 -3.764
407 HB VAL 54 HB VAL 54 7.412 2.736 -5.020
408 1HG1 VAL 54 HG13 VAL 54 8.095 1.154 -6.822
409 2HG1 VAL 54 HG12 VAL 54 6.426 1.123 -7.393
410 3HG1 VAL 54 HG11 VAL 54 7.354 2.620 -7.464
411 1HG2 VAL 54 HG23 VAL 54 4.739 2.552 -4.736
412 2HG2 VAL 54 HG22 VAL 54 5.504 3.870 -5.625
413 3HG2 VAL 54 HG21 VAL 54 4.837 2.488 -6.495
414 H GLN 55 HN GLN 55 7.393 -0.592 -6.613
415 HA GLN 55 HA GLN 55 5.003 -1.491 -7.831
416 1HB GLN 55 HB2 GLN 55 7.362 -1.623 -8.698
417 2HB GLN 55 HB1 GLN 55 7.654 -2.952 -7.575
418 1HG GLN 55 HG2 GLN 55 5.827 -4.241 -8.634
419 2HG GLN 55 HG1 GLN 55 5.561 -2.918 -9.771
420 1HE2 GLN 55 HE22 GLN 55 8.671 -3.534 -11.532
421 2HE2 GLN 55 HE21 GLN 55 7.682 -2.255 -11.017
422 H LYS 56 HN LYS 56 6.964 -2.993 -5.266
423 HA LYS 56 HA LYS 56 5.231 -5.297 -4.961
424 1HB LYS 56 HB2 LYS 56 7.538 -4.023 -3.515
425 2HB LYS 56 HB1 LYS 56 6.648 -5.330 -2.733
426 1HG LYS 56 HG2 LYS 56 7.897 -5.482 -5.493
427 2HG LYS 56 HG1 LYS 56 8.582 -6.190 -4.029
428 1HD LYS 56 HD2 LYS 56 6.066 -7.209 -3.921
429 2HD LYS 56 HD1 LYS 56 6.286 -7.099 -5.668
430 1HE LYS 56 HE2 LYS 56 8.277 -8.463 -5.587
431 2HE LYS 56 HE1 LYS 56 8.308 -8.399 -3.814
432 1HZ LYS 56 HZ2 LYS 56 5.770 -9.232 -4.884
433 2HZ LYS 56 HZ1 LYS 56 7.033 -10.297 -5.279
434 3HZ LYS 56 HZ3 LYS 56 6.709 -9.935 -3.655
435 H LEU 57 HN LEU 57 5.178 -2.017 -3.691
436 HA LEU 57 HA LEU 57 3.566 -2.570 -1.347
437 1HB LEU 57 HB2 LEU 57 3.835 -0.103 -3.098
438 2HB LEU 57 HB1 LEU 57 3.173 -0.125 -1.469
439 HG LEU 57 HG LEU 57 6.013 -0.893 -2.214
440 1HD1 LEU 57 HD13 LEU 57 4.758 1.623 -1.921
441 2HD1 LEU 57 HD12 LEU 57 5.681 1.365 -0.441
442 3HD1 LEU 57 HD11 LEU 57 6.489 1.299 -2.007
443 1HD2 LEU 57 HD21 LEU 57 4.376 -1.207 0.221
444 2HD2 LEU 57 HD23 LEU 57 5.907 -1.972 -0.205
445 3HD2 LEU 57 HD22 LEU 57 5.895 -0.357 0.503
446 H THR 58 HN THR 58 2.776 -1.197 -4.555
447 HA THR 58 HA THR 58 -0.048 -1.235 -4.315
448 HB THR 58 HB THR 58 1.793 -1.622 -6.701
449 HG1 THR 58 HG1 THR 58 2.187 0.385 -6.291
450 1HG2 THR 58 HG22 THR 58 -0.851 -2.139 -6.745
451 2HG2 THR 58 HG21 THR 58 -0.896 -0.392 -6.980
452 3HG2 THR 58 HG23 THR 58 -0.002 -1.410 -8.109
453 H LYS 59 HN LYS 59 2.251 -3.777 -5.254
454 HA LYS 59 HA LYS 59 0.235 -5.676 -6.043
455 1HB LYS 59 HB2 LYS 59 2.727 -5.537 -6.663
456 2HB LYS 59 HB1 LYS 59 3.042 -6.242 -5.077
457 1HG LYS 59 HG2 LYS 59 1.852 -8.238 -5.618
458 2HG LYS 59 HG1 LYS 59 1.142 -7.509 -7.058
459 1HD LYS 59 HD2 LYS 59 3.813 -7.188 -7.564
460 2HD LYS 59 HD1 LYS 59 3.809 -8.718 -6.685
461 1HE LYS 59 HE2 LYS 59 1.856 -9.388 -8.270
462 2HE LYS 59 HE1 LYS 59 2.423 -8.043 -9.280
463 1HZ LYS 59 HZ3 LYS 59 4.693 -8.981 -9.068
464 2HZ LYS 59 HZ2 LYS 59 4.027 -10.343 -8.301
465 3HZ LYS 59 HZ1 LYS 59 3.626 -9.992 -9.914
466 H ALA 60 HN ALA 60 1.741 -4.752 -3.023
467 HA ALA 60 HA ALA 60 1.070 -7.086 -1.512
468 1HB ALA 60 HB1 ALA 60 2.705 -5.121 -1.055
469 2HB ALA 60 HB3 ALA 60 1.283 -4.277 -0.443
470 3HB ALA 60 HB2 ALA 60 1.812 -5.777 0.317
471 H THR 61 HN THR 61 -0.499 -3.880 -1.799
472 HA THR 61 HA THR 61 -2.822 -4.600 -0.247
473 HB THR 61 HB THR 61 -2.083 -2.276 -0.686
474 HG1 THR 61 HG1 THR 61 -4.541 -2.800 -1.991
475 1HG2 THR 61 HG22 THR 61 -2.739 -2.997 -3.554
476 2HG2 THR 61 HG21 THR 61 -2.451 -1.351 -2.992
477 3HG2 THR 61 HG23 THR 61 -1.159 -2.548 -2.911
478 H ALA 62 HN ALA 62 -1.831 -4.809 -3.543
479 HA ALA 62 HA ALA 62 -4.325 -5.473 -4.778
480 1HB ALA 62 HB1 ALA 62 -2.219 -4.791 -5.929
481 2HB ALA 62 HB3 ALA 62 -1.497 -6.334 -5.473
482 3HB ALA 62 HB2 ALA 62 -2.868 -6.295 -6.582
483 H ASP 63 HN ASP 63 -1.924 -7.359 -3.007
484 HA ASP 63 HA ASP 63 -3.296 -9.910 -3.609
485 1HB ASP 63 HB2 ASP 63 -1.343 -10.864 -2.787
486 2HB ASP 63 HB1 ASP 63 -0.717 -9.291 -3.269
487 H ALA 64 HN ALA 64 -3.551 -7.350 -1.386
488 HA ALA 64 HA ALA 64 -4.406 -8.878 0.947
489 1HB ALA 64 HB3 ALA 64 -3.467 -6.386 0.509
490 2HB ALA 64 HB2 ALA 64 -5.194 -6.035 0.470
491 3HB ALA 64 HB1 ALA 64 -4.475 -6.768 1.904
492 H GLY 65 HN GLY 65 -5.884 -7.381 -1.874
493 1HA GLY 65 HA2 GLY 65 -8.050 -8.826 -2.352
494 2HA GLY 65 HA1 GLY 65 -8.578 -8.074 -0.852
495 H TYR 66 HN TYR 66 -6.612 -6.365 -3.263
496 HA TYR 66 HA TYR 66 -8.982 -4.984 -4.353
497 1HB TYR 66 HB2 TYR 66 -6.901 -3.556 -2.679
498 2HB TYR 66 HB1 TYR 66 -8.294 -2.812 -3.456
499 HD1 TYR 66 HD1 TYR 66 -10.613 -3.638 -2.771
500 HD2 TYR 66 HD2 TYR 66 -7.027 -4.422 -0.567
501 HE1 TYR 66 HE1 TYR 66 -11.959 -4.070 -0.748
502 HE2 TYR 66 HE2 TYR 66 -8.358 -4.850 1.456
503 HH TYR 66 HH TYR 66 -11.440 -5.587 1.518
504 HA PRO 67 HA PRO 67 -5.679 -5.066 -7.511
505 1HB PRO 67 HB2 PRO 67 -7.678 -3.852 -9.232
506 2HB PRO 67 HB1 PRO 67 -6.996 -5.477 -9.337
507 1HG PRO 67 HG2 PRO 67 -9.628 -4.741 -8.482
508 2HG PRO 67 HG1 PRO 67 -8.926 -6.360 -8.548
509 1HD PRO 67 HD2 PRO 67 -9.549 -4.815 -6.201
510 2HD PRO 67 HD1 PRO 67 -8.781 -6.422 -6.271
511 H SER 68 HN SER 68 -4.464 -3.331 -6.589
512 HA SER 68 HA SER 68 -5.679 -0.614 -6.732
513 1HB SER 68 HB2 SER 68 -4.158 -0.115 -4.928
514 2HB SER 68 HB1 SER 68 -4.890 -1.679 -4.583
515 HG SER 68 HG SER 68 -2.285 -1.016 -5.234
516 H SER 69 HN SER 69 -3.451 0.935 -6.564
517 HA SER 69 HA SER 69 -1.598 0.334 -8.793
518 1HB SER 69 HB2 SER 69 -3.972 1.639 -9.259
519 2HB SER 69 HB1 SER 69 -2.895 2.988 -8.911
520 HG SER 69 HG SER 69 -2.389 0.898 -10.772
521 H VAL 70 HN VAL 70 -0.548 2.959 -8.935
522 HA VAL 70 HA VAL 70 0.099 3.617 -6.120
523 HB VAL 70 HB VAL 70 1.577 1.908 -7.329
524 1HG1 VAL 70 HG13 VAL 70 1.622 3.905 -9.265
525 2HG1 VAL 70 HG12 VAL 70 3.193 4.063 -8.481
526 3HG1 VAL 70 HG11 VAL 70 2.715 2.522 -9.192
527 1HG2 VAL 70 HG22 VAL 70 2.148 4.030 -5.507
528 2HG2 VAL 70 HG21 VAL 70 2.980 2.481 -5.650
529 3HG2 VAL 70 HG23 VAL 70 3.535 3.873 -6.581
530 H LYS 71 HN LYS 71 1.066 5.744 -5.854
531 HA LYS 71 HA LYS 71 0.706 7.512 -8.256
532 1HB LYS 71 HB2 LYS 71 0.143 8.617 -5.553
533 2HB LYS 71 HB1 LYS 71 -0.693 8.916 -7.073
534 1HG LYS 71 HG2 LYS 71 -1.802 6.745 -6.935
535 2HG LYS 71 HG1 LYS 71 -0.907 6.355 -5.466
536 1HD LYS 71 HD2 LYS 71 -2.601 7.278 -4.312
537 2HD LYS 71 HD1 LYS 71 -2.057 8.839 -4.929
538 1HE LYS 71 HE2 LYS 71 -3.623 7.432 -6.939
539 2HE LYS 71 HE1 LYS 71 -4.548 7.650 -5.440
540 1HZ LYS 71 HZ1 LYS 71 -2.894 9.835 -6.539
541 2HZ LYS 71 HZ3 LYS 71 -4.479 9.593 -7.093
542 3HZ LYS 71 HZ2 LYS 71 -4.196 9.931 -5.452
543 H GLN 72 HN GLN 72 2.975 6.214 -6.988
544 HA GLN 72 HA GLN 72 4.679 7.666 -5.378
545 1HB GLN 72 HB2 GLN 72 6.435 6.532 -6.504
546 2HB GLN 72 HB1 GLN 72 5.021 5.518 -6.791
547 1HG GLN 72 HG2 GLN 72 4.693 6.834 -8.961
548 2HG GLN 72 HG1 GLN 72 6.311 7.483 -8.693
549 1HE2 GLN 72 HE22 GLN 72 7.913 4.275 -9.208
550 2HE2 GLN 72 HE21 GLN 72 8.046 5.682 -8.269
No H/Q in entry = 550
Start of MODEL 20
1 1H ALA 1 HT3 ALA 1 17.465 2.647 2.538
2 2H ALA 1 HT2 ALA 1 18.391 2.577 1.116
3 3H ALA 1 HT1 ALA 1 18.348 4.004 2.035
4 HA ALA 1 HA ALA 1 16.784 4.665 0.570
5 1HB ALA 1 HB2 ALA 1 17.504 2.494 -0.645
6 2HB ALA 1 HB1 ALA 1 16.058 1.775 0.063
7 3HB ALA 1 HB3 ALA 1 15.913 3.146 -1.037
8 H THR 2 HN THR 2 15.008 5.522 1.541
9 HA THR 2 HA THR 2 12.999 3.799 2.807
10 HB THR 2 HB THR 2 14.156 4.432 4.718
11 HG1 THR 2 HG1 THR 2 12.427 5.308 5.478
12 1HG2 THR 2 HG22 THR 2 15.801 5.862 3.505
13 2HG2 THR 2 HG21 THR 2 14.617 7.169 3.510
14 3HG2 THR 2 HG23 THR 2 15.282 6.576 5.031
15 H GLN 3 HN GLN 3 11.743 4.278 1.031
16 HA GLN 3 HA GLN 3 11.153 7.167 0.487
17 1HB GLN 3 HB2 GLN 3 11.426 4.697 -1.053
18 2HB GLN 3 HB1 GLN 3 9.996 5.627 -1.505
19 1HG GLN 3 HG2 GLN 3 11.906 6.361 -2.844
20 2HG GLN 3 HG1 GLN 3 11.425 7.652 -1.743
21 1HE2 GLN 3 HE22 GLN 3 14.680 7.822 -0.433
22 2HE2 GLN 3 HE21 GLN 3 13.277 8.638 -0.929
23 H THR 4 HN THR 4 8.910 7.725 -0.086
24 HA THR 4 HA THR 4 6.855 6.046 1.304
25 HB THR 4 HB THR 4 7.424 7.844 2.784
26 HG1 THR 4 HG1 THR 4 5.094 7.610 1.830
27 1HG2 THR 4 HG21 THR 4 8.709 9.161 1.129
28 2HG2 THR 4 HG23 THR 4 7.199 9.681 0.382
29 3HG2 THR 4 HG22 THR 4 7.584 10.176 2.030
30 H VAL 5 HN VAL 5 5.148 5.635 -0.017
31 HA VAL 5 HA VAL 5 4.438 7.558 -2.214
32 HB VAL 5 HB VAL 5 4.543 4.559 -2.520
33 1HG1 VAL 5 HG12 VAL 5 3.975 6.913 -4.221
34 2HG1 VAL 5 HG11 VAL 5 4.965 5.657 -4.966
35 3HG1 VAL 5 HG13 VAL 5 3.364 5.263 -4.339
36 1HG2 VAL 5 HG21 VAL 5 6.706 6.620 -3.013
37 2HG2 VAL 5 HG23 VAL 5 6.815 5.155 -2.037
38 3HG2 VAL 5 HG22 VAL 5 6.706 5.037 -3.793
39 H THR 6 HN THR 6 2.227 6.988 -3.052
40 HA THR 6 HA THR 6 0.532 5.897 -0.845
41 HB THR 6 HB THR 6 -0.115 8.142 -1.271
42 HG1 THR 6 HG1 THR 6 -1.724 6.751 -3.118
43 1HG2 THR 6 HG23 THR 6 0.649 7.430 -4.053
44 2HG2 THR 6 HG22 THR 6 -0.608 8.650 -3.850
45 3HG2 THR 6 HG21 THR 6 0.986 8.900 -3.138
46 H LEU 7 HN LEU 7 -1.512 4.795 -1.869
47 HA LEU 7 HA LEU 7 -0.695 3.383 -4.369
48 1HB LEU 7 HB2 LEU 7 -0.924 2.431 -1.639
49 2HB LEU 7 HB1 LEU 7 -2.034 1.554 -2.693
50 HG LEU 7 HG LEU 7 -0.276 0.886 -4.148
51 1HD1 LEU 7 HD11 LEU 7 1.322 2.971 -2.704
52 2HD1 LEU 7 HD13 LEU 7 2.117 1.668 -3.586
53 3HD1 LEU 7 HD12 LEU 7 1.053 2.784 -4.432
54 1HD2 LEU 7 HD21 LEU 7 -0.224 0.236 -1.409
55 2HD2 LEU 7 HD23 LEU 7 0.523 -0.683 -2.717
56 3HD2 LEU 7 HD22 LEU 7 1.458 0.532 -1.845
57 H ALA 8 HN ALA 8 -2.523 2.426 -5.492
58 HA ALA 8 HA ALA 8 -5.076 3.886 -4.909
59 1HB ALA 8 HB2 ALA 8 -3.755 4.351 -7.025
60 2HB ALA 8 HB1 ALA 8 -4.090 2.691 -7.515
61 3HB ALA 8 HB3 ALA 8 -5.417 3.832 -7.302
62 H VAL 9 HN VAL 9 -6.168 2.333 -3.641
63 HA VAL 9 HA VAL 9 -6.497 -0.385 -4.860
64 HB VAL 9 HB VAL 9 -5.478 -0.512 -2.701
65 1HG1 VAL 9 HG11 VAL 9 -7.418 1.680 -2.047
66 2HG1 VAL 9 HG13 VAL 9 -6.827 0.645 -0.747
67 3HG1 VAL 9 HG12 VAL 9 -5.689 1.582 -1.714
68 1HG2 VAL 9 HG23 VAL 9 -8.307 -1.271 -2.958
69 2HG2 VAL 9 HG22 VAL 9 -6.941 -2.210 -2.362
70 3HG2 VAL 9 HG21 VAL 9 -7.778 -1.094 -1.287
71 HA PRO 10 HA PRO 10 -10.604 1.506 -5.434
72 1HB PRO 10 HB2 PRO 10 -11.167 -0.284 -7.524
73 2HB PRO 10 HB1 PRO 10 -10.502 1.343 -7.698
74 1HG PRO 10 HG2 PRO 10 -9.183 -1.208 -8.134
75 2HG PRO 10 HG1 PRO 10 -8.592 0.416 -8.493
76 1HD PRO 10 HD2 PRO 10 -7.802 -1.330 -6.321
77 2HD PRO 10 HD1 PRO 10 -7.172 0.290 -6.714
78 H GLY 11 HN GLY 11 -10.101 -0.583 -3.394
79 1HA GLY 11 HA2 GLY 11 -12.051 -2.710 -3.907
80 2HA GLY 11 HA1 GLY 11 -11.146 -2.466 -2.412
81 H MET 12 HN MET 12 -11.770 0.026 -1.633
82 HA MET 12 HA MET 12 -13.449 1.084 -0.330
83 1HB MET 12 HB2 MET 12 -13.783 1.382 -3.048
84 2HB MET 12 HB1 MET 12 -15.376 0.815 -2.547
85 1HG MET 12 HG2 MET 12 -14.746 2.654 -0.582
86 2HG MET 12 HG1 MET 12 -14.074 3.394 -2.034
87 1HE MET 12 HE1 MET 12 -16.843 2.718 0.140
88 2HE MET 12 HE3 MET 12 -16.714 4.453 -0.178
89 3HE MET 12 HE2 MET 12 -18.193 3.586 -0.586
90 H THR 13 HN THR 13 -13.418 -1.418 0.532
91 HA THR 13 HA THR 13 -16.053 -2.705 0.163
92 HB THR 13 HB THR 13 -14.708 -4.030 2.184
93 HG1 THR 13 HG1 THR 13 -12.766 -3.184 0.322
94 1HG2 THR 13 HG22 THR 13 -14.893 -4.286 -0.781
95 2HG2 THR 13 HG21 THR 13 -13.753 -5.333 0.065
96 3HG2 THR 13 HG23 THR 13 -15.467 -5.379 0.479
97 H CYS 14 HN CYS 14 -15.351 -0.012 1.641
98 HA CYS 14 HA CYS 14 -16.351 1.169 3.420
99 1HB CYS 14 HB2 CYS 14 -18.232 -0.424 2.501
100 2HB CYS 14 HB1 CYS 14 -17.955 -1.308 4.001
101 HG CYS 14 HG CYS 14 -19.323 1.417 3.772
102 H ALA 15 HN ALA 15 -14.317 1.040 4.609
103 HA ALA 15 HA ALA 15 -13.146 0.613 6.622
104 1HB ALA 15 HB1 ALA 15 -15.751 0.449 7.248
105 2HB ALA 15 HB3 ALA 15 -15.315 -1.239 7.520
106 3HB ALA 15 HB2 ALA 15 -14.495 0.040 8.416
107 H ALA 16 HN ALA 16 -13.018 -1.160 4.189
108 HA ALA 16 HA ALA 16 -11.829 -3.546 5.556
109 1HB ALA 16 HB2 ALA 16 -14.191 -3.397 3.920
110 2HB ALA 16 HB1 ALA 16 -12.966 -4.333 3.064
111 3HB ALA 16 HB3 ALA 16 -13.478 -4.820 4.680
112 H CYS 17 HN CYS 17 -12.204 -1.831 2.445
113 HA CYS 17 HA CYS 17 -9.961 -2.870 1.090
114 1HB CYS 17 HB2 CYS 17 -11.358 -1.621 -0.239
115 2HB CYS 17 HB1 CYS 17 -11.680 -0.439 1.020
116 HG CYS 17 HG CYS 17 -9.464 0.770 0.430
117 HA PRO 18 HA PRO 18 -7.342 0.749 2.932
118 1HB PRO 18 HB2 PRO 18 -8.437 1.783 5.297
119 2HB PRO 18 HB1 PRO 18 -8.499 2.542 3.703
120 1HG PRO 18 HG2 PRO 18 -10.649 1.253 5.218
121 2HG PRO 18 HG1 PRO 18 -10.759 2.315 3.814
122 1HD PRO 18 HD2 PRO 18 -11.144 -0.505 3.865
123 2HD PRO 18 HD1 PRO 18 -11.066 0.535 2.422
124 H ILE 19 HN ILE 19 -8.833 -1.791 4.714
125 HA ILE 19 HA ILE 19 -6.822 -1.716 6.898
126 HB ILE 19 HB ILE 19 -9.299 -3.310 6.228
127 1HG1 ILE 19 HG12 ILE 19 -8.674 -1.898 8.809
128 2HG1 ILE 19 HG11 ILE 19 -9.172 -0.957 7.403
129 1HG2 ILE 19 HG21 ILE 19 -7.119 -3.927 8.211
130 2HG2 ILE 19 HG23 ILE 19 -8.790 -4.357 8.575
131 3HG2 ILE 19 HG22 ILE 19 -7.996 -5.029 7.150
132 1HD1 ILE 19 HD11 ILE 19 -11.041 -2.891 7.303
133 2HD1 ILE 19 HD13 ILE 19 -10.735 -2.890 9.040
134 3HD1 ILE 19 HD12 ILE 19 -11.262 -1.411 8.237
135 H THR 20 HN THR 20 -7.769 -3.648 4.113
136 HA THR 20 HA THR 20 -5.775 -5.720 4.522
137 HB THR 20 HB THR 20 -7.812 -4.856 2.501
138 HG1 THR 20 HG1 THR 20 -8.129 -7.286 2.864
139 1HG2 THR 20 HG23 THR 20 -5.378 -6.440 1.945
140 2HG2 THR 20 HG22 THR 20 -6.893 -7.108 1.336
141 3HG2 THR 20 HG21 THR 20 -6.381 -5.491 0.851
142 H VAL 21 HN VAL 21 -6.121 -2.824 2.472
143 HA VAL 21 HA VAL 21 -3.719 -3.177 0.985
144 HB VAL 21 HB VAL 21 -5.247 -0.704 1.856
145 1HG1 VAL 21 HG13 VAL 21 -2.919 -0.218 1.100
146 2HG1 VAL 21 HG12 VAL 21 -3.272 -1.038 -0.421
147 3HG1 VAL 21 HG11 VAL 21 -4.138 0.438 0.007
148 1HG2 VAL 21 HG21 VAL 21 -5.983 -2.811 0.164
149 2HG2 VAL 21 HG23 VAL 21 -6.740 -1.221 0.245
150 3HG2 VAL 21 HG22 VAL 21 -5.460 -1.529 -0.929
151 H LYS 22 HN LYS 22 -4.415 -1.417 4.003
152 HA LYS 22 HA LYS 22 -1.855 -0.334 4.498
153 1HB LYS 22 HB2 LYS 22 -4.092 -0.078 5.738
154 2HB LYS 22 HB1 LYS 22 -3.674 -1.573 6.577
155 1HG LYS 22 HG2 LYS 22 -1.569 -0.547 7.359
156 2HG LYS 22 HG1 LYS 22 -1.992 0.951 6.526
157 1HD LYS 22 HD2 LYS 22 -4.173 0.875 7.915
158 2HD LYS 22 HD1 LYS 22 -3.332 -0.307 8.918
159 1HE LYS 22 HE2 LYS 22 -1.401 1.512 8.898
160 2HE LYS 22 HE1 LYS 22 -2.750 2.613 8.550
161 1HZ LYS 22 HZ1 LYS 22 -2.883 0.572 10.693
162 2HZ LYS 22 HZ3 LYS 22 -2.299 2.138 10.983
163 3HZ LYS 22 HZ2 LYS 22 -3.899 1.914 10.457
164 H LYS 23 HN LYS 23 -3.143 -3.458 5.711
165 HA LYS 23 HA LYS 23 -0.535 -4.328 6.653
166 1HB LYS 23 HB2 LYS 23 -1.749 -6.290 7.315
167 2HB LYS 23 HB1 LYS 23 -2.844 -4.925 7.537
168 1HG LYS 23 HG2 LYS 23 -4.308 -6.101 6.274
169 2HG LYS 23 HG1 LYS 23 -3.292 -5.648 4.906
170 1HD LYS 23 HD2 LYS 23 -2.763 -7.808 4.587
171 2HD LYS 23 HD1 LYS 23 -2.055 -7.867 6.202
172 1HE LYS 23 HE2 LYS 23 -4.095 -8.593 7.191
173 2HE LYS 23 HE1 LYS 23 -5.040 -8.139 5.759
174 1HZ LYS 23 HZ2 LYS 23 -2.801 -9.985 5.391
175 2HZ LYS 23 HZ1 LYS 23 -4.206 -10.602 6.119
176 3HZ LYS 23 HZ3 LYS 23 -4.288 -9.911 4.572
177 H ALA 24 HN ALA 24 -1.699 -4.091 3.515
178 HA ALA 24 HA ALA 24 -0.710 -6.640 2.521
179 1HB ALA 24 HB1 ALA 24 -2.135 -4.256 1.590
180 2HB ALA 24 HB3 ALA 24 -0.989 -4.869 0.399
181 3HB ALA 24 HB2 ALA 24 -2.262 -5.919 1.019
182 H LEU 25 HN LEU 25 0.165 -3.316 1.818
183 HA LEU 25 HA LEU 25 2.809 -3.972 0.862
184 1HB LEU 25 HB2 LEU 25 2.914 -1.296 1.697
185 2HB LEU 25 HB1 LEU 25 2.584 -1.865 0.074
186 HG LEU 25 HG LEU 25 0.904 -0.267 0.810
187 1HD1 LEU 25 HD12 LEU 25 0.307 -2.980 -0.014
188 2HD1 LEU 25 HD11 LEU 25 -1.056 -2.192 0.766
189 3HD1 LEU 25 HD13 LEU 25 -0.300 -1.451 -0.635
190 1HD2 LEU 25 HD21 LEU 25 1.129 -0.775 3.250
191 2HD2 LEU 25 HD23 LEU 25 -0.530 -0.610 2.692
192 3HD2 LEU 25 HD22 LEU 25 0.147 -2.204 2.996
193 H SER 26 HN SER 26 1.401 -3.366 3.960
194 HA SER 26 HA SER 26 3.873 -2.795 5.394
195 1HB SER 26 HB2 SER 26 1.875 -2.106 6.447
196 2HB SER 26 HB1 SER 26 1.040 -3.602 6.043
197 HG SER 26 HG SER 26 2.493 -2.978 8.227
198 H LYS 27 HN LYS 27 2.146 -5.660 4.319
199 HA LYS 27 HA LYS 27 3.904 -7.405 5.944
200 1HB LYS 27 HB2 LYS 27 1.381 -7.701 4.343
201 2HB LYS 27 HB1 LYS 27 2.315 -9.134 4.771
202 1HG LYS 27 HG2 LYS 27 0.415 -8.253 6.389
203 2HG LYS 27 HG1 LYS 27 1.923 -8.882 7.049
204 1HD LYS 27 HD2 LYS 27 2.815 -6.639 7.308
205 2HD LYS 27 HD1 LYS 27 1.421 -5.944 6.480
206 1HE LYS 27 HE2 LYS 27 0.806 -5.633 8.721
207 2HE LYS 27 HE1 LYS 27 0.075 -7.220 8.401
208 1HZ LYS 27 HZ2 LYS 27 2.819 -6.783 9.462
209 2HZ LYS 27 HZ1 LYS 27 1.480 -7.250 10.398
210 3HZ LYS 27 HZ3 LYS 27 2.075 -8.287 9.195
211 H VAL 28 HN VAL 28 3.941 -5.946 2.930
212 HA VAL 28 HA VAL 28 4.763 -7.821 1.046
213 HB VAL 28 HB VAL 28 5.535 -5.000 1.738
214 1HG1 VAL 28 HG11 VAL 28 6.777 -6.619 -0.510
215 2HG1 VAL 28 HG13 VAL 28 6.951 -4.877 -0.291
216 3HG1 VAL 28 HG12 VAL 28 7.631 -5.990 0.897
217 1HG2 VAL 28 HG23 VAL 28 3.403 -5.752 0.516
218 2HG2 VAL 28 HG22 VAL 28 4.349 -4.480 -0.256
219 3HG2 VAL 28 HG21 VAL 28 4.455 -6.139 -0.845
220 H GLU 29 HN GLU 29 7.000 -6.077 3.227
221 HA GLU 29 HA GLU 29 8.487 -8.106 4.359
222 1HB GLU 29 HB2 GLU 29 8.808 -7.987 1.446
223 2HB GLU 29 HB1 GLU 29 10.349 -7.910 2.303
224 1HG GLU 29 HG2 GLU 29 8.882 -9.868 3.661
225 2HG GLU 29 HG1 GLU 29 8.557 -10.171 1.953
226 H GLY 30 HN GLY 30 9.838 -5.773 2.021
227 1HA GLY 30 HA2 GLY 30 11.669 -4.675 3.955
228 2HA GLY 30 HA1 GLY 30 11.346 -4.005 2.357
229 H VAL 31 HN VAL 31 8.408 -3.848 2.982
230 HA VAL 31 HA VAL 31 8.032 -1.198 3.639
231 HB VAL 31 HB VAL 31 6.326 -2.975 3.050
232 1HG1 VAL 31 HG11 VAL 31 7.266 -4.202 5.317
233 2HG1 VAL 31 HG13 VAL 31 5.783 -3.456 5.909
234 3HG1 VAL 31 HG12 VAL 31 5.723 -4.576 4.548
235 1HG2 VAL 31 HG23 VAL 31 5.907 -0.576 4.019
236 2HG2 VAL 31 HG22 VAL 31 4.565 -1.718 3.974
237 3HG2 VAL 31 HG21 VAL 31 5.432 -1.438 5.483
238 H SER 32 HN SER 32 8.096 0.058 5.382
239 HA SER 32 HA SER 32 8.904 -1.210 7.977
240 1HB SER 32 HB2 SER 32 10.436 0.370 6.445
241 2HB SER 32 HB1 SER 32 9.551 1.628 7.304
242 HG SER 32 HG SER 32 10.517 1.076 9.114
243 H LYS 33 HN LYS 33 6.639 0.734 6.323
244 HA LYS 33 HA LYS 33 5.057 1.065 8.780
245 1HB LYS 33 HB2 LYS 33 6.345 2.935 9.236
246 2HB LYS 33 HB1 LYS 33 6.695 3.239 7.539
247 1HG LYS 33 HG2 LYS 33 4.438 4.084 7.178
248 2HG LYS 33 HG1 LYS 33 3.988 3.671 8.833
249 1HD LYS 33 HD2 LYS 33 6.216 5.601 8.131
250 2HD LYS 33 HD1 LYS 33 4.568 6.105 8.503
251 1HE LYS 33 HE2 LYS 33 6.082 4.329 10.422
252 2HE LYS 33 HE1 LYS 33 6.287 6.091 10.458
253 1HZ LYS 33 HZ3 LYS 33 3.645 5.899 10.217
254 2HZ LYS 33 HZ2 LYS 33 3.952 4.487 11.112
255 3HZ LYS 33 HZ1 LYS 33 4.433 6.001 11.715
256 H VAL 34 HN VAL 34 2.925 2.125 8.257
257 HA VAL 34 HA VAL 34 2.230 2.452 5.417
258 HB VAL 34 HB VAL 34 1.348 0.100 7.114
259 1HG1 VAL 34 HG11 VAL 34 -0.435 1.461 5.620
260 2HG1 VAL 34 HG13 VAL 34 0.284 0.467 4.356
261 3HG1 VAL 34 HG12 VAL 34 -0.466 -0.293 5.758
262 1HG2 VAL 34 HG22 VAL 34 2.845 0.467 4.519
263 2HG2 VAL 34 HG21 VAL 34 3.324 -0.455 5.944
264 3HG2 VAL 34 HG23 VAL 34 2.041 -1.058 4.895
265 H ASP 35 HN ASP 35 0.170 3.464 5.179
266 HA ASP 35 HA ASP 35 -1.369 4.060 7.663
267 1HB ASP 35 HB2 ASP 35 0.396 5.818 6.174
268 2HB ASP 35 HB1 ASP 35 -1.253 6.444 6.162
269 H VAL 36 HN VAL 36 -3.514 5.163 7.009
270 HA VAL 36 HA VAL 36 -4.473 3.919 4.459
271 HB VAL 36 HB VAL 36 -5.807 4.715 7.060
272 1HG1 VAL 36 HG13 VAL 36 -6.948 3.912 4.397
273 2HG1 VAL 36 HG12 VAL 36 -7.778 3.439 5.880
274 3HG1 VAL 36 HG11 VAL 36 -7.515 5.146 5.522
275 1HG2 VAL 36 HG22 VAL 36 -4.400 2.559 6.800
276 2HG2 VAL 36 HG21 VAL 36 -6.036 2.388 7.436
277 3HG2 VAL 36 HG23 VAL 36 -5.700 1.996 5.749
278 H GLY 37 HN GLY 37 -5.827 5.144 3.077
279 1HA GLY 37 HA2 GLY 37 -6.222 8.021 3.670
280 2HA GLY 37 HA1 GLY 37 -5.308 7.610 2.215
281 H PHE 38 HN PHE 38 -8.307 6.471 3.802
282 HA PHE 38 HA PHE 38 -9.581 5.571 1.425
283 1HB PHE 38 HB2 PHE 38 -10.043 5.574 4.133
284 2HB PHE 38 HB1 PHE 38 -11.289 6.681 3.560
285 HD1 PHE 38 HD1 PHE 38 -9.849 3.791 1.678
286 HD2 PHE 38 HD2 PHE 38 -13.240 5.347 3.813
287 HE1 PHE 38 HE1 PHE 38 -11.215 1.873 0.905
288 HE2 PHE 38 HE2 PHE 38 -14.603 3.425 3.042
289 HZ PHE 38 HZ PHE 38 -13.597 1.689 1.591
290 H GLU 39 HN GLU 39 -9.205 8.802 2.727
291 HA GLU 39 HA GLU 39 -11.372 10.181 1.589
292 1HB GLU 39 HB2 GLU 39 -9.024 10.788 2.877
293 2HB GLU 39 HB1 GLU 39 -8.709 11.429 1.264
294 1HG GLU 39 HG2 GLU 39 -10.083 13.173 1.626
295 2HG GLU 39 HG1 GLU 39 -11.399 12.095 2.092
296 H LYS 40 HN LYS 40 -8.710 8.584 0.037
297 HA LYS 40 HA LYS 40 -9.797 9.351 -2.626
298 1HB LYS 40 HB2 LYS 40 -7.244 10.094 -1.382
299 2HB LYS 40 HB1 LYS 40 -7.047 9.346 -2.968
300 1HG LYS 40 HG2 LYS 40 -8.873 10.951 -3.781
301 2HG LYS 40 HG1 LYS 40 -8.638 11.815 -2.261
302 1HD LYS 40 HD2 LYS 40 -6.120 11.799 -2.885
303 2HD LYS 40 HD1 LYS 40 -6.676 11.409 -4.513
304 1HE LYS 40 HE2 LYS 40 -7.963 13.448 -4.649
305 2HE LYS 40 HE1 LYS 40 -7.685 13.797 -2.931
306 1HZ LYS 40 HZ2 LYS 40 -5.192 13.405 -3.770
307 2HZ LYS 40 HZ1 LYS 40 -5.868 14.054 -5.187
308 3HZ LYS 40 HZ3 LYS 40 -5.927 14.936 -3.740
309 H ARG 41 HN ARG 41 -10.049 6.875 -1.159
310 HA ARG 41 HA ARG 41 -9.511 4.570 -1.274
311 1HB ARG 41 HB2 ARG 41 -10.798 5.535 -3.376
312 2HB ARG 41 HB1 ARG 41 -9.313 5.063 -4.209
313 1HG ARG 41 HG2 ARG 41 -9.856 2.889 -4.086
314 2HG ARG 41 HG1 ARG 41 -10.138 3.011 -2.348
315 1HD ARG 41 HD2 ARG 41 -12.249 2.400 -3.249
316 2HD ARG 41 HD1 ARG 41 -12.370 4.151 -2.994
317 HE ARG 41 HE ARG 41 -11.252 3.810 -5.559
318 1HH1 ARG 41 HH21 ARG 41 -14.154 2.992 -3.882
319 2HH1 ARG 41 HH22 ARG 41 -15.126 2.966 -5.313
320 1HH2 ARG 41 HH11 ARG 41 -12.508 3.785 -7.429
321 2HH2 ARG 41 HH12 ARG 41 -14.196 3.414 -7.319
322 H GLU 42 HN GLU 42 -7.192 5.526 -0.522
323 HA GLU 42 HA GLU 42 -5.240 4.071 -2.210
324 1HB GLU 42 HB2 GLU 42 -3.759 6.111 -2.222
325 2HB GLU 42 HB1 GLU 42 -5.255 6.315 -3.135
326 1HG GLU 42 HG2 GLU 42 -5.886 8.022 -1.813
327 2HG GLU 42 HG1 GLU 42 -5.701 7.019 -0.374
328 H ALA 43 HN ALA 43 -3.036 3.984 -1.093
329 HA ALA 43 HA ALA 43 -3.312 4.224 1.889
330 1HB ALA 43 HB3 ALA 43 -2.227 1.943 0.197
331 2HB ALA 43 HB2 ALA 43 -2.057 2.029 1.951
332 3HB ALA 43 HB1 ALA 43 -3.659 1.904 1.225
333 H VAL 44 HN VAL 44 -1.450 5.084 2.881
334 HA VAL 44 HA VAL 44 0.787 5.809 1.021
335 HB VAL 44 HB VAL 44 -0.581 7.572 2.185
336 1HG1 VAL 44 HG11 VAL 44 -0.480 5.924 4.334
337 2HG1 VAL 44 HG13 VAL 44 0.832 7.033 4.735
338 3HG1 VAL 44 HG12 VAL 44 -0.795 7.655 4.456
339 1HG2 VAL 44 HG22 VAL 44 2.361 7.247 2.361
340 2HG2 VAL 44 HG21 VAL 44 1.415 8.557 1.655
341 3HG2 VAL 44 HG23 VAL 44 1.675 8.498 3.398
342 H VAL 45 HN VAL 45 2.378 4.281 1.193
343 HA VAL 45 HA VAL 45 3.015 3.180 3.893
344 HB VAL 45 HB VAL 45 3.398 2.255 1.046
345 1HG1 VAL 45 HG12 VAL 45 4.581 1.240 3.619
346 2HG1 VAL 45 HG11 VAL 45 4.220 0.120 2.308
347 3HG1 VAL 45 HG13 VAL 45 5.357 1.443 2.050
348 1HG2 VAL 45 HG23 VAL 45 1.622 1.575 3.349
349 2HG2 VAL 45 HG22 VAL 45 1.246 1.660 1.627
350 3HG2 VAL 45 HG21 VAL 45 2.127 0.280 2.270
351 H THR 46 HN THR 46 5.199 2.813 4.416
352 HA THR 46 HA THR 46 7.254 4.504 3.049
353 HB THR 46 HB THR 46 6.462 4.077 5.925
354 HG1 THR 46 HG1 THR 46 6.585 6.267 5.952
355 1HG2 THR 46 HG22 THR 46 9.229 4.334 4.863
356 2HG2 THR 46 HG21 THR 46 8.824 5.318 6.270
357 3HG2 THR 46 HG23 THR 46 8.657 3.564 6.343
358 H PHE 47 HN PHE 47 9.397 3.351 2.957
359 HA PHE 47 HA PHE 47 9.613 0.768 4.255
360 1HB PHE 47 HB2 PHE 47 9.368 -0.596 2.228
361 2HB PHE 47 HB1 PHE 47 7.894 0.316 2.553
362 HD1 PHE 47 HD2 PHE 47 11.035 0.325 0.495
363 HD2 PHE 47 HD1 PHE 47 7.068 1.901 1.032
364 HE1 PHE 47 HE2 PHE 47 11.161 1.383 -1.729
365 HE2 PHE 47 HE1 PHE 47 7.190 2.957 -1.205
366 HZ PHE 47 HZ PHE 47 9.222 2.696 -2.587
367 H ASP 48 HN ASP 48 11.295 -0.620 2.969
368 HA ASP 48 HA ASP 48 13.606 1.181 2.450
369 1HB ASP 48 HB2 ASP 48 13.281 -0.895 4.204
370 2HB ASP 48 HB1 ASP 48 13.980 -1.736 2.819
371 H ASP 49 HN ASP 49 13.889 1.476 0.307
372 HA ASP 49 HA ASP 49 12.672 -0.098 -1.730
373 1HB ASP 49 HB2 ASP 49 13.564 2.282 -1.764
374 2HB ASP 49 HB1 ASP 49 15.172 1.584 -1.968
375 H THR 50 HN THR 50 15.303 -0.913 0.223
376 HA THR 50 HA THR 50 16.819 -2.426 -1.786
377 HB THR 50 HB THR 50 18.161 -3.034 0.196
378 HG1 THR 50 HG1 THR 50 17.425 -2.683 2.179
379 1HG2 THR 50 HG21 THR 50 18.006 -0.608 -0.928
380 2HG2 THR 50 HG23 THR 50 17.495 -0.176 0.704
381 3HG2 THR 50 HG22 THR 50 19.065 -0.936 0.444
382 H LYS 51 HN LYS 51 14.229 -3.078 0.512
383 HA LYS 51 HA LYS 51 14.453 -5.995 -0.150
384 1HB LYS 51 HB2 LYS 51 13.440 -4.485 2.267
385 2HB LYS 51 HB1 LYS 51 13.151 -6.209 2.038
386 1HG LYS 51 HG2 LYS 51 15.945 -5.505 1.580
387 2HG LYS 51 HG1 LYS 51 15.412 -5.071 3.205
388 1HD LYS 51 HD2 LYS 51 14.578 -7.744 2.188
389 2HD LYS 51 HD1 LYS 51 16.282 -7.542 2.599
390 1HE LYS 51 HE2 LYS 51 15.837 -7.498 4.830
391 2HE LYS 51 HE1 LYS 51 14.467 -6.390 4.609
392 1HZ LYS 51 HZ2 LYS 51 14.123 -9.056 3.514
393 2HZ LYS 51 HZ1 LYS 51 14.174 -8.975 5.211
394 3HZ LYS 51 HZ3 LYS 51 13.018 -8.077 4.354
395 H ALA 52 HN ALA 52 12.612 -3.225 -0.698
396 HA ALA 52 HA ALA 52 10.585 -4.582 -2.197
397 1HB ALA 52 HB2 ALA 52 10.077 -3.946 0.701
398 2HB ALA 52 HB1 ALA 52 8.737 -3.939 -0.445
399 3HB ALA 52 HB3 ALA 52 9.676 -5.410 -0.196
400 H SER 53 HN SER 53 8.576 -2.916 -2.431
401 HA SER 53 HA SER 53 8.871 -0.160 -1.898
402 1HB SER 53 HB2 SER 53 9.742 0.373 -4.339
403 2HB SER 53 HB1 SER 53 10.889 -0.018 -3.061
404 HG SER 53 HG SER 53 10.987 -1.203 -5.181
405 H VAL 54 HN VAL 54 7.832 1.124 -4.007
406 HA VAL 54 HA VAL 54 5.151 0.686 -4.163
407 HB VAL 54 HB VAL 54 7.182 1.544 -6.215
408 1HG1 VAL 54 HG13 VAL 54 4.176 1.384 -6.556
409 2HG1 VAL 54 HG12 VAL 54 5.212 2.406 -7.551
410 3HG1 VAL 54 HG11 VAL 54 5.410 0.655 -7.582
411 1HG2 VAL 54 HG21 VAL 54 5.152 2.854 -4.408
412 2HG2 VAL 54 HG23 VAL 54 6.886 3.155 -4.516
413 3HG2 VAL 54 HG22 VAL 54 5.813 3.714 -5.799
414 H GLN 55 HN GLN 55 7.567 -1.121 -6.054
415 HA GLN 55 HA GLN 55 5.850 -2.560 -7.773
416 1HB GLN 55 HB2 GLN 55 8.302 -2.528 -7.893
417 2HB GLN 55 HB1 GLN 55 8.405 -3.388 -6.357
418 1HG GLN 55 HG2 GLN 55 8.451 -5.272 -7.613
419 2HG GLN 55 HG1 GLN 55 6.721 -5.005 -7.832
420 1HE2 GLN 55 HE22 GLN 55 7.074 -3.773 -11.180
421 2HE2 GLN 55 HE21 GLN 55 6.073 -3.729 -9.810
422 H LYS 56 HN LYS 56 7.049 -3.565 -4.542
423 HA LYS 56 HA LYS 56 5.247 -5.869 -4.491
424 1HB LYS 56 HB2 LYS 56 7.103 -4.617 -2.446
425 2HB LYS 56 HB1 LYS 56 6.325 -6.191 -2.269
426 1HG LYS 56 HG2 LYS 56 8.151 -5.445 -4.570
427 2HG LYS 56 HG1 LYS 56 8.670 -6.345 -3.144
428 1HD LYS 56 HD2 LYS 56 6.951 -8.076 -3.647
429 2HD LYS 56 HD1 LYS 56 6.527 -7.195 -5.115
430 1HE LYS 56 HE2 LYS 56 8.141 -8.414 -6.156
431 2HE LYS 56 HE1 LYS 56 9.321 -7.456 -5.238
432 1HZ LYS 56 HZ2 LYS 56 7.928 -9.695 -3.930
433 2HZ LYS 56 HZ1 LYS 56 9.258 -10.022 -4.935
434 3HZ LYS 56 HZ3 LYS 56 9.449 -9.024 -3.577
435 H LEU 57 HN LEU 57 4.976 -2.534 -3.438
436 HA LEU 57 HA LEU 57 3.062 -3.077 -1.306
437 1HB LEU 57 HB2 LEU 57 3.477 -0.561 -2.956
438 2HB LEU 57 HB1 LEU 57 2.775 -0.664 -1.344
439 HG LEU 57 HG LEU 57 5.614 -1.492 -1.987
440 1HD1 LEU 57 HD11 LEU 57 4.386 1.134 -1.513
441 2HD1 LEU 57 HD13 LEU 57 5.721 0.777 -0.417
442 3HD1 LEU 57 HD12 LEU 57 5.978 0.740 -2.161
443 1HD2 LEU 57 HD23 LEU 57 4.359 -2.439 0.060
444 2HD2 LEU 57 HD22 LEU 57 5.903 -1.646 0.375
445 3HD2 LEU 57 HD21 LEU 57 4.393 -0.793 0.691
446 H THR 58 HN THR 58 2.775 -1.777 -4.628
447 HA THR 58 HA THR 58 -0.072 -1.827 -4.777
448 HB THR 58 HB THR 58 2.203 -2.006 -6.762
449 HG1 THR 58 HG1 THR 58 1.180 0.089 -7.271
450 1HG2 THR 58 HG23 THR 58 0.253 -3.220 -7.696
451 2HG2 THR 58 HG22 THR 58 -0.751 -1.800 -7.405
452 3HG2 THR 58 HG21 THR 58 0.573 -1.721 -8.567
453 H LYS 59 HN LYS 59 2.394 -4.314 -5.381
454 HA LYS 59 HA LYS 59 0.561 -6.251 -6.460
455 1HB LYS 59 HB2 LYS 59 3.339 -5.900 -6.067
456 2HB LYS 59 HB1 LYS 59 2.905 -7.390 -5.230
457 1HG LYS 59 HG2 LYS 59 1.476 -7.509 -7.628
458 2HG LYS 59 HG1 LYS 59 3.052 -6.866 -8.090
459 1HD LYS 59 HD2 LYS 59 4.199 -8.751 -7.296
460 2HD LYS 59 HD1 LYS 59 2.867 -9.238 -6.247
461 1HE LYS 59 HE2 LYS 59 1.526 -9.515 -8.481
462 2HE LYS 59 HE1 LYS 59 3.135 -9.579 -9.228
463 1HZ LYS 59 HZ1 LYS 59 2.352 -11.192 -6.863
464 2HZ LYS 59 HZ3 LYS 59 2.290 -11.777 -8.453
465 3HZ LYS 59 HZ2 LYS 59 3.780 -11.327 -7.772
466 H ALA 60 HN ALA 60 1.629 -5.392 -3.204
467 HA ALA 60 HA ALA 60 0.709 -7.802 -1.943
468 1HB ALA 60 HB3 ALA 60 1.397 -4.998 -1.085
469 2HB ALA 60 HB2 ALA 60 0.790 -6.176 0.078
470 3HB ALA 60 HB1 ALA 60 2.293 -6.488 -0.786
471 H THR 61 HN THR 61 -0.752 -4.585 -2.454
472 HA THR 61 HA THR 61 -3.247 -5.284 -1.145
473 HB THR 61 HB THR 61 -2.511 -2.971 -1.318
474 HG1 THR 61 HG1 THR 61 -4.793 -3.501 -1.636
475 1HG2 THR 61 HG21 THR 61 -2.288 -3.677 -4.230
476 2HG2 THR 61 HG23 THR 61 -2.526 -1.999 -3.745
477 3HG2 THR 61 HG22 THR 61 -1.107 -2.885 -3.188
478 H ALA 62 HN ALA 62 -1.877 -5.502 -4.315
479 HA ALA 62 HA ALA 62 -4.302 -6.036 -5.785
480 1HB ALA 62 HB1 ALA 62 -1.357 -6.150 -6.148
481 2HB ALA 62 HB3 ALA 62 -2.290 -7.211 -7.204
482 3HB ALA 62 HB2 ALA 62 -2.589 -5.473 -7.213
483 H ASP 63 HN ASP 63 -2.026 -7.956 -3.910
484 HA ASP 63 HA ASP 63 -3.288 -10.500 -4.740
485 1HB ASP 63 HB2 ASP 63 -0.822 -9.548 -3.449
486 2HB ASP 63 HB1 ASP 63 -1.484 -10.993 -2.685
487 H ALA 64 HN ALA 64 -3.737 -8.063 -2.416
488 HA ALA 64 HA ALA 64 -4.754 -9.778 -0.264
489 1HB ALA 64 HB2 ALA 64 -3.749 -7.226 -0.491
490 2HB ALA 64 HB1 ALA 64 -5.481 -6.916 -0.379
491 3HB ALA 64 HB3 ALA 64 -4.661 -7.811 0.900
492 H GLY 65 HN GLY 65 -5.967 -8.013 -3.043
493 1HA GLY 65 HA2 GLY 65 -8.157 -9.280 -3.775
494 2HA GLY 65 HA1 GLY 65 -8.758 -8.645 -2.249
495 H TYR 66 HN TYR 66 -6.548 -6.637 -4.137
496 HA TYR 66 HA TYR 66 -8.876 -5.162 -5.270
497 1HB TYR 66 HB2 TYR 66 -6.737 -3.933 -3.514
498 2HB TYR 66 HB1 TYR 66 -8.118 -3.097 -4.215
499 HD1 TYR 66 HD1 TYR 66 -10.455 -4.194 -3.663
500 HD2 TYR 66 HD2 TYR 66 -6.865 -4.674 -1.382
501 HE1 TYR 66 HE1 TYR 66 -11.806 -4.735 -1.668
502 HE2 TYR 66 HE2 TYR 66 -8.201 -5.209 0.618
503 HH TYR 66 HH TYR 66 -10.482 -6.119 1.125
504 HA PRO 67 HA PRO 67 -5.687 -5.121 -8.518
505 1HB PRO 67 HB2 PRO 67 -7.576 -3.497 -10.009
506 2HB PRO 67 HB1 PRO 67 -7.087 -5.165 -10.327
507 1HG PRO 67 HG2 PRO 67 -9.601 -4.258 -9.315
508 2HG PRO 67 HG1 PRO 67 -9.076 -5.928 -9.552
509 1HD PRO 67 HD2 PRO 67 -9.464 -4.532 -7.052
510 2HD PRO 67 HD1 PRO 67 -8.933 -6.215 -7.293
511 H SER 68 HN SER 68 -4.385 -3.666 -7.191
512 HA SER 68 HA SER 68 -5.203 -0.804 -7.241
513 1HB SER 68 HB2 SER 68 -3.277 -2.391 -5.531
514 2HB SER 68 HB1 SER 68 -3.653 -0.686 -5.298
515 HG SER 68 HG SER 68 -4.942 -2.720 -4.323
516 H SER 69 HN SER 69 -2.934 0.505 -6.774
517 HA SER 69 HA SER 69 -0.757 -0.216 -8.607
518 1HB SER 69 HB2 SER 69 -2.948 1.738 -9.207
519 2HB SER 69 HB1 SER 69 -1.317 2.143 -9.731
520 HG SER 69 HG SER 69 -3.002 0.046 -10.510
521 H VAL 70 HN VAL 70 0.266 2.416 -8.816
522 HA VAL 70 HA VAL 70 0.433 3.327 -5.987
523 HB VAL 70 HB VAL 70 2.136 1.608 -6.843
524 1HG1 VAL 70 HG13 VAL 70 2.383 3.414 -8.909
525 2HG1 VAL 70 HG12 VAL 70 3.786 3.799 -7.912
526 3HG1 VAL 70 HG11 VAL 70 3.561 2.160 -8.523
527 1HG2 VAL 70 HG22 VAL 70 2.381 3.894 -5.128
528 2HG2 VAL 70 HG21 VAL 70 3.212 2.344 -4.999
529 3HG2 VAL 70 HG23 VAL 70 3.924 3.651 -5.946
530 H LYS 71 HN LYS 71 1.391 5.525 -5.781
531 HA LYS 71 HA LYS 71 1.077 7.086 -8.332
532 1HB LYS 71 HB2 LYS 71 0.591 8.331 -5.661
533 2HB LYS 71 HB1 LYS 71 -0.194 8.663 -7.200
534 1HG LYS 71 HG2 LYS 71 -0.929 6.061 -6.781
535 2HG LYS 71 HG1 LYS 71 -0.893 6.687 -5.130
536 1HD LYS 71 HD2 LYS 71 -2.329 8.559 -5.798
537 2HD LYS 71 HD1 LYS 71 -2.349 7.959 -7.456
538 1HE LYS 71 HE2 LYS 71 -3.114 5.735 -5.951
539 2HE LYS 71 HE1 LYS 71 -3.959 7.091 -5.177
540 1HZ LYS 71 HZ3 LYS 71 -3.859 6.675 -8.115
541 2HZ LYS 71 HZ2 LYS 71 -5.146 6.149 -7.138
542 3HZ LYS 71 HZ1 LYS 71 -4.798 7.806 -7.271
543 H GLN 72 HN GLN 72 3.373 5.912 -6.921
544 HA GLN 72 HA GLN 72 5.144 7.504 -5.562
545 1HB GLN 72 HB2 GLN 72 5.383 5.221 -6.839
546 2HB GLN 72 HB1 GLN 72 6.018 6.224 -8.144
547 1HG GLN 72 HG2 GLN 72 7.715 7.153 -6.627
548 2HG GLN 72 HG1 GLN 72 7.072 6.185 -5.300
549 1HE2 GLN 72 HE22 GLN 72 9.102 4.252 -8.318
550 2HE2 GLN 72 HE21 GLN 72 8.328 5.725 -8.656
No H/Q in entry = 550
No H/Q in entry = 550