Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
5852 | 1i2u RC | 5033 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 HT1 ASP 1 -0.547 2.140 -1.581
2 2H ASP 1 HT2 ASP 1 -0.534 0.448 -1.551
3 3H ASP 1 HT3 ASP 1 -1.177 1.268 -2.904
4 HA ASP 1 HA ASP 1 0.833 1.297 -3.815
5 1HB ASP 1 HB2 ASP 1 2.767 2.375 -2.491
6 2HB ASP 1 HB1 ASP 1 1.349 3.397 -2.547
7 H LYS 2 HN LYS 2 2.894 0.094 -3.838
8 HA LYS 2 HA LYS 2 3.235 -1.885 -1.663
9 1HB LYS 2 HB2 LYS 2 1.454 -2.695 -3.247
10 2HB LYS 2 HB1 LYS 2 2.688 -2.798 -4.497
11 1HG LYS 2 HG2 LYS 2 3.811 -4.624 -3.431
12 2HG LYS 2 HG1 LYS 2 3.137 -4.248 -1.857
13 1HD LYS 2 HD2 LYS 2 2.129 -6.303 -2.961
14 2HD LYS 2 HD1 LYS 2 0.970 -5.096 -2.428
15 1HE LYS 2 HE2 LYS 2 0.630 -4.275 -4.636
16 2HE LYS 2 HE1 LYS 2 2.041 -5.105 -5.270
17 1HZ LYS 2 HZ1 LYS 2 0.855 -6.789 -5.736
18 2HZ LYS 2 HZ2 LYS 2 -0.579 -5.995 -5.281
19 3HZ LYS 2 HZ3 LYS 2 0.229 -6.993 -4.158
20 H LEU 3 HN LEU 3 5.275 -2.841 -1.579
21 HA LEU 3 HA LEU 3 7.383 -1.416 -3.048
22 1HB LEU 3 HB2 LEU 3 7.365 -2.077 -0.545
23 2HB LEU 3 HB1 LEU 3 7.638 -3.722 -1.084
24 HG LEU 3 HG LEU 3 9.742 -2.753 -2.327
25 1HD1 LEU 3 HD1 LEU 3 9.042 -0.379 -2.062
26 2HD1 LEU 3 HD1 LEU 3 10.652 -0.741 -1.385
27 3HD1 LEU 3 HD1 LEU 3 9.236 -0.567 -0.297
28 1HD2 LEU 3 HD2 LEU 3 9.845 -4.186 -0.361
29 2HD2 LEU 3 HD2 LEU 3 9.589 -2.760 0.693
30 3HD2 LEU 3 HD2 LEU 3 11.079 -2.900 -0.289
31 H ILE 4 HN ILE 4 8.388 -2.082 -4.764
32 HA ILE 4 HA ILE 4 8.160 -5.012 -5.557
33 HB ILE 4 HB ILE 4 8.057 -4.369 -7.852
34 1HG1 ILE 4 HG1 ILE 4 7.530 -1.547 -7.816
35 2HG1 ILE 4 HG1 ILE 4 8.987 -1.767 -6.872
36 1HG2 ILE 4 HG2 ILE 4 6.018 -2.845 -6.222
37 2HG2 ILE 4 HG2 ILE 4 5.992 -4.575 -6.672
38 3HG2 ILE 4 HG2 ILE 4 5.858 -3.315 -7.940
39 1HD1 ILE 4 HD1 ILE 4 9.918 -3.218 -8.647
40 2HD1 ILE 4 HD2 ILE 4 9.557 -1.558 -9.214
41 3HD1 ILE 4 HD3 ILE 4 8.448 -2.898 -9.618
42 H GLY 5 HN GLY 5 10.322 -2.858 -4.443
43 1HA GLY 5 HA2 GLY 5 12.611 -4.387 -4.885
44 2HA GLY 5 HA1 GLY 5 12.593 -3.286 -6.248
45 H SER 6 HN SER 6 14.672 -2.816 -4.977
46 HA SER 6 HA SER 6 14.218 -0.941 -2.694
47 1HB SER 6 HB2 SER 6 15.893 -2.700 -2.246
48 2HB SER 6 HB1 SER 6 16.749 -2.339 -3.738
49 HG SER 6 HG SER 6 16.410 -0.507 -1.564
50 H CYS 7 HN CYS 7 16.291 0.725 -2.870
51 HA CYS 7 HA CYS 7 16.346 1.968 -5.553
52 1HB CYS 7 HB2 CYS 7 14.356 2.882 -4.392
53 2HB CYS 7 HB1 CYS 7 15.403 3.516 -3.149
54 H VAL 8 HN VAL 8 18.152 0.744 -3.323
55 HA VAL 8 HA VAL 8 19.937 2.881 -2.488
56 HB VAL 8 HB VAL 8 20.140 -0.167 -2.548
57 1HG1 VAL 8 HG1 VAL 8 22.054 1.765 -1.219
58 2HG1 VAL 8 HG1 VAL 8 22.422 0.718 -2.620
59 3HG1 VAL 8 HG1 VAL 8 22.045 -0.017 -1.037
60 1HG2 VAL 8 HG2 VAL 8 19.824 0.081 -0.122
61 2HG2 VAL 8 HG2 VAL 8 18.472 0.768 -1.057
62 3HG2 VAL 8 HG2 VAL 8 19.705 1.854 -0.341
63 H TRP 9 HN TRP 9 19.746 1.015 -5.329
64 HA TRP 9 HA TRP 9 21.007 1.086 -7.359
65 1HB TRP 9 HB2 TRP 9 21.001 3.705 -6.439
66 2HB TRP 9 HB1 TRP 9 22.723 3.398 -6.473
67 HD1 TRP 9 HD1 TRP 9 19.875 4.361 -8.665
68 HE1 TRP 9 HE1 TRP 9 20.636 4.228 -11.046
69 HE3 TRP 9 HE3 TRP 9 24.253 1.889 -8.130
70 HZ2 TRP 9 HZ2 TRP 9 22.782 3.231 -12.650
71 HZ3 TRP 9 HZ3 TRP 9 25.641 1.349 -10.081
72 HH2 TRP 9 HH2 TRP 9 24.913 2.021 -12.348
73 H GLY 10 HN GLY 10 21.873 -0.911 -6.292
74 1HA GLY 10 HA2 GLY 10 24.537 -1.414 -6.697
75 2HA GLY 10 HA1 GLY 10 24.533 -0.786 -5.048
76 H ALA 11 HN ALA 11 21.867 -1.872 -4.538
77 HA ALA 11 HA ALA 11 22.648 -4.515 -3.594
78 1HB ALA 11 HB1 ALA 11 20.295 -4.623 -2.773
79 2HB ALA 11 HB2 ALA 11 19.920 -3.169 -3.745
80 3HB ALA 11 HB3 ALA 11 21.048 -3.057 -2.359
81 H VAL 12 HN VAL 12 21.274 -6.485 -4.118
82 HA VAL 12 HA VAL 12 21.106 -6.744 -7.041
83 HB VAL 12 HB VAL 12 22.205 -8.365 -5.473
84 1HG1 VAL 12 HG1 VAL 12 20.618 -8.259 -3.633
85 2HG1 VAL 12 HG1 VAL 12 20.835 -9.937 -4.193
86 3HG1 VAL 12 HG1 VAL 12 19.365 -9.037 -4.654
87 1HG2 VAL 12 HG2 VAL 12 21.605 -9.115 -7.681
88 2HG2 VAL 12 HG2 VAL 12 19.974 -9.577 -7.107
89 3HG2 VAL 12 HG2 VAL 12 21.414 -10.434 -6.489
90 H ASN 13 HN ASN 13 19.224 -5.007 -6.143
91 HA ASN 13 HA ASN 13 16.786 -6.218 -7.226
92 1HB ASN 13 HB2 ASN 13 17.111 -6.568 -4.456
93 2HB ASN 13 HB1 ASN 13 16.089 -5.160 -4.562
94 1HD2 ASN 13 HD2 ASN 13 14.418 -5.493 -6.524
95 2HD2 ASN 13 HD2 ASN 13 13.559 -6.965 -6.395
96 H TYR 14 HN TYR 14 18.557 -3.734 -7.506
97 HA TYR 14 HA TYR 14 16.743 -1.539 -6.847
98 1HB TYR 14 HB2 TYR 14 19.195 -1.192 -6.960
99 2HB TYR 14 HB1 TYR 14 19.151 -1.626 -8.665
100 HD1 TYR 14 HD1 TYR 14 17.922 0.922 -6.243
101 HD2 TYR 14 HD2 TYR 14 18.650 -0.010 -10.318
102 HE1 TYR 14 HE1 TYR 14 17.449 3.263 -6.836
103 HE2 TYR 14 HE2 TYR 14 18.179 2.324 -10.924
104 HH TYR 14 HH TYR 14 16.870 4.577 -8.655
105 H THR 15 HN THR 15 15.329 -0.525 -8.214
106 HA THR 15 HA THR 15 14.802 -1.792 -10.841
107 HB THR 15 HB THR 15 12.568 -0.473 -10.389
108 HG1 THR 15 HG1 THR 15 13.080 0.714 -8.625
109 1HG2 THR 15 HG2 THR 15 13.453 -2.762 -8.567
110 2HG2 THR 15 HG2 THR 15 12.848 -2.974 -10.244
111 3HG2 THR 15 HG2 THR 15 11.778 -2.318 -8.956
112 H SER 16 HN SER 16 16.107 -0.531 -12.212
113 HA SER 16 HA SER 16 16.315 2.328 -12.046
114 1HB SER 16 HB2 SER 16 17.758 0.785 -13.553
115 2HB SER 16 HB1 SER 16 16.377 0.742 -14.668
116 HG SER 16 HG SER 16 16.871 2.735 -15.222
117 H ASP 17 HN ASP 17 13.991 0.241 -13.677
118 HA ASP 17 HA ASP 17 12.379 2.674 -14.376
119 1HB ASP 17 HB2 ASP 17 13.288 1.171 -16.219
120 2HB ASP 17 HB1 ASP 17 12.296 -0.111 -15.522
121 H CYS 18 HN CYS 18 11.973 2.465 -12.036
122 HA CYS 18 HA CYS 18 10.606 0.476 -10.634
123 1HB CYS 18 HB2 CYS 18 11.383 2.837 -9.983
124 2HB CYS 18 HB1 CYS 18 9.773 3.268 -10.476
125 H ASN 19 HN ASN 19 9.114 2.917 -12.723
126 HA ASN 19 HA ASN 19 6.435 1.877 -12.289
127 1HB ASN 19 HB2 ASN 19 6.825 4.245 -13.036
128 2HB ASN 19 HB1 ASN 19 7.405 3.646 -14.581
129 1HD2 ASN 19 HD2 ASN 19 4.873 1.477 -13.833
130 2HD2 ASN 19 HD2 ASN 19 3.646 2.378 -14.577
131 H GLY 20 HN GLY 20 8.804 1.559 -14.991
132 1HA GLY 20 HA2 GLY 20 7.260 0.006 -16.748
133 2HA GLY 20 HA1 GLY 20 9.014 -0.127 -16.581
134 H GLU 21 HN GLU 21 9.279 -0.980 -14.028
135 HA GLU 21 HA GLU 21 8.697 -3.782 -14.215
136 1HB GLU 21 HB2 GLU 21 10.572 -2.630 -12.864
137 2HB GLU 21 HB1 GLU 21 9.386 -2.226 -11.660
138 1HG GLU 21 HG2 GLU 21 10.680 -4.432 -11.163
139 2HG GLU 21 HG1 GLU 21 8.926 -4.528 -11.103
140 H CYS 22 HN CYS 22 7.296 -1.214 -12.198
141 HA CYS 22 HA CYS 22 5.421 -2.673 -10.778
142 1HB CYS 22 HB2 CYS 22 6.047 0.007 -11.576
143 2HB CYS 22 HB1 CYS 22 4.396 -0.182 -11.537
144 H LYS 23 HN LYS 23 5.031 -1.112 -13.934
145 HA LYS 23 HA LYS 23 2.386 -1.950 -14.482
146 1HB LYS 23 HB2 LYS 23 4.774 -1.069 -16.135
147 2HB LYS 23 HB1 LYS 23 3.440 -1.759 -17.011
148 1HG LYS 23 HG2 LYS 23 3.226 0.535 -15.025
149 2HG LYS 23 HG1 LYS 23 3.407 0.827 -16.740
150 1HD LYS 23 HD2 LYS 23 1.107 -0.696 -15.403
151 2HD LYS 23 HD1 LYS 23 1.033 0.965 -15.942
152 1HE LYS 23 HE2 LYS 23 1.249 0.355 -18.280
153 2HE LYS 23 HE1 LYS 23 1.681 -1.301 -17.906
154 1HZ LYS 23 HZ1 LYS 23 -0.790 -0.813 -16.699
155 2HZ LYS 23 HZ2 LYS 23 -0.419 -1.852 -17.974
156 3HZ LYS 23 HZ3 LYS 23 -0.873 -0.253 -18.309
157 H ARG 24 HN ARG 24 5.536 -3.432 -15.174
158 HA ARG 24 HA ARG 24 4.578 -5.654 -16.586
159 1HB ARG 24 HB2 ARG 24 7.066 -4.627 -15.717
160 2HB ARG 24 HB1 ARG 24 6.923 -6.068 -14.747
161 1HG ARG 24 HG2 ARG 24 6.701 -7.451 -16.656
162 2HG ARG 24 HG1 ARG 24 6.334 -6.098 -17.700
163 1HD ARG 24 HD2 ARG 24 9.068 -6.206 -16.393
164 2HD ARG 24 HD1 ARG 24 8.774 -7.182 -17.821
165 HE ARG 24 HE ARG 24 8.773 -4.193 -17.704
166 1HH1 ARG 24 HH2 ARG 24 10.489 -5.899 -19.508
167 2HH1 ARG 24 HH2 ARG 24 9.723 -5.818 -21.054
168 1HH2 ARG 24 HH1 ARG 24 6.814 -4.462 -19.447
169 2HH2 ARG 24 HH1 ARG 24 7.402 -4.891 -21.019
170 H ARG 25 HN ARG 25 4.323 -4.883 -13.234
171 HA ARG 25 HA ARG 25 3.500 -7.674 -12.571
172 1HB ARG 25 HB2 ARG 25 3.314 -5.521 -10.507
173 2HB ARG 25 HB1 ARG 25 3.897 -7.159 -10.346
174 1HG ARG 25 HG2 ARG 25 5.830 -6.049 -12.033
175 2HG ARG 25 HG1 ARG 25 5.337 -4.663 -11.116
176 1HD ARG 25 HD2 ARG 25 6.616 -5.333 -9.374
177 2HD ARG 25 HD1 ARG 25 5.810 -6.912 -9.297
178 HE ARG 25 HE ARG 25 8.203 -6.214 -10.990
179 1HH1 ARG 25 HH2 ARG 25 7.477 -8.326 -8.778
180 2HH1 ARG 25 HH2 ARG 25 7.687 -9.791 -9.673
181 1HH2 ARG 25 HH1 ARG 25 7.825 -7.798 -12.643
182 2HH2 ARG 25 HH1 ARG 25 7.795 -9.489 -12.174
183 H GLY 26 HN GLY 26 1.988 -5.395 -14.113
184 1HA GLY 26 HA2 GLY 26 -0.340 -5.222 -14.496
185 2HA GLY 26 HA1 GLY 26 -0.633 -6.223 -13.071
186 H TYR 27 HN TYR 27 1.551 -3.837 -12.144
187 HA TYR 27 HA TYR 27 -0.608 -2.452 -10.700
188 1HB TYR 27 HB2 TYR 27 2.409 -1.947 -10.823
189 2HB TYR 27 HB1 TYR 27 1.328 -1.240 -9.646
190 HD1 TYR 27 HD1 TYR 27 3.440 -2.678 -8.509
191 HD2 TYR 27 HD2 TYR 27 -0.171 -4.387 -10.033
192 HE1 TYR 27 HE1 TYR 27 3.720 -4.609 -7.098
193 HE2 TYR 27 HE2 TYR 27 0.130 -6.290 -8.646
194 HH TYR 27 HH TYR 27 2.598 -7.351 -7.532
195 H LYS 28 HN LYS 28 0.211 0.195 -10.681
196 HA LYS 28 HA LYS 28 -0.365 1.029 -13.495
197 1HB LYS 28 HB2 LYS 28 -1.605 2.950 -12.438
198 2HB LYS 28 HB1 LYS 28 -2.336 1.379 -12.162
199 1HG LYS 28 HG2 LYS 28 -0.297 2.241 -10.099
200 2HG LYS 28 HG1 LYS 28 -1.717 3.237 -10.145
201 1HD LYS 28 HD2 LYS 28 -2.304 0.301 -10.073
202 2HD LYS 28 HD1 LYS 28 -1.291 0.852 -8.761
203 1HE LYS 28 HE2 LYS 28 -3.624 1.095 -8.047
204 2HE LYS 28 HE1 LYS 28 -2.991 2.708 -8.274
205 1HZ LYS 28 HZ1 LYS 28 -5.153 1.560 -9.471
206 2HZ LYS 28 HZ2 LYS 28 -4.058 1.831 -10.734
207 3HZ LYS 28 HZ3 LYS 28 -4.560 3.112 -9.727
208 H GLY 29 HN GLY 29 1.628 1.699 -10.679
209 1HA GLY 29 HA2 GLY 29 3.517 3.159 -12.234
210 2HA GLY 29 HA1 GLY 29 2.525 4.290 -11.320
211 H GLY 30 HN GLY 30 5.408 3.743 -10.889
212 1HA GLY 30 HA2 GLY 30 5.370 3.453 -8.039
213 2HA GLY 30 HA1 GLY 30 6.108 2.043 -8.837
214 H HIS 31 HN HIS 31 7.423 3.917 -7.144
215 HA HIS 31 HA HIS 31 9.746 4.559 -8.766
216 1HB HIS 31 HB2 HIS 31 9.443 7.170 -8.044
217 2HB HIS 31 HB1 HIS 31 8.760 6.553 -9.551
218 HD1 HIS 31 HD1 HIS 31 6.287 6.713 -9.710
219 HD2 HIS 31 HD2 HIS 31 7.407 6.948 -5.716
220 HE1 HIS 31 HE1 HIS 31 4.197 7.073 -8.421
221 HE2 HIS 31 HE2 HIS 31 4.847 7.200 -6.082
222 H CYS 32 HN CYS 32 11.336 5.955 -7.431
223 HA CYS 32 HA CYS 32 11.713 4.698 -4.886
224 1HB CYS 32 HB2 CYS 32 13.420 5.882 -6.448
225 2HB CYS 32 HB1 CYS 32 12.872 7.361 -5.719
226 H GLY 33 HN GLY 33 11.819 6.006 -2.811
227 1HA GLY 33 HA2 GLY 33 10.364 8.468 -2.453
228 2HA GLY 33 HA1 GLY 33 9.233 7.149 -2.249
229 H SER 34 HN SER 34 12.638 7.724 -1.058
230 HA SER 34 HA SER 34 11.645 7.514 1.665
231 1HB SER 34 HB2 SER 34 13.565 5.484 0.350
232 2HB SER 34 HB1 SER 34 13.170 5.490 2.077
233 HG SER 34 HG SER 34 10.868 5.645 0.967
234 H PHE 35 HN PHE 35 14.370 7.105 2.568
235 HA PHE 35 HA PHE 35 15.376 9.858 2.083
236 1HB PHE 35 HB2 PHE 35 15.172 8.820 4.477
237 2HB PHE 35 HB1 PHE 35 16.586 7.865 4.031
238 HD1 PHE 35 HD1 PHE 35 15.369 11.409 3.947
239 HD2 PHE 35 HD2 PHE 35 18.717 8.810 4.409
240 HE1 PHE 35 HE1 PHE 35 16.804 13.340 4.417
241 HE2 PHE 35 HE2 PHE 35 20.146 10.747 4.880
242 HZ PHE 35 HZ PHE 35 19.196 13.012 4.883
243 H ALA 36 HN ALA 36 17.332 10.254 1.184
244 HA ALA 36 HA ALA 36 19.049 9.893 -0.420
245 1HB ALA 36 HB1 ALA 36 19.565 7.672 1.567
246 2HB ALA 36 HB2 ALA 36 20.138 9.364 1.713
247 3HB ALA 36 HB3 ALA 36 20.748 8.318 0.395
248 H ASN 37 HN ASN 37 16.514 8.455 -0.929
249 HA ASN 37 HA ASN 37 15.656 6.814 -2.442
250 1HB ASN 37 HB2 ASN 37 18.391 6.713 -3.707
251 2HB ASN 37 HB1 ASN 37 16.823 6.661 -4.480
252 1HD2 ASN 37 HD2 ASN 37 19.342 8.688 -3.632
253 2HD2 ASN 37 HD2 ASN 37 18.580 10.178 -3.962
254 H VAL 38 HN VAL 38 15.383 5.094 -1.032
255 HA VAL 38 HA VAL 38 17.494 2.981 -1.172
256 HB VAL 38 HB VAL 38 16.772 2.376 1.234
257 1HG1 VAL 38 HG1 VAL 38 18.221 4.137 2.229
258 2HG1 VAL 38 HG1 VAL 38 18.040 5.092 0.725
259 3HG1 VAL 38 HG1 VAL 38 18.892 3.525 0.690
260 1HG2 VAL 38 HG2 VAL 38 15.831 4.189 2.572
261 2HG2 VAL 38 HG2 VAL 38 14.698 3.684 1.287
262 3HG2 VAL 38 HG2 VAL 38 15.665 5.191 1.111
263 H ASN 39 HN ASN 39 14.041 3.647 -1.142
264 HA ASN 39 HA ASN 39 13.618 0.807 -1.909
265 1HB ASN 39 HB2 ASN 39 12.203 2.416 0.223
266 2HB ASN 39 HB1 ASN 39 11.400 1.071 -0.556
267 1HD2 ASN 39 HD2 ASN 39 12.972 1.548 2.277
268 2HD2 ASN 39 HD2 ASN 39 13.811 0.071 2.375
269 H CYS 40 HN CYS 40 11.898 0.378 -3.405
270 HA CYS 40 HA CYS 40 10.910 2.854 -4.763
271 1HB CYS 40 HB2 CYS 40 12.428 0.762 -5.842
272 2HB CYS 40 HB1 CYS 40 10.799 0.324 -6.278
273 H TRP 41 HN TRP 41 8.885 3.196 -4.404
274 HA TRP 41 HA TRP 41 7.098 0.999 -3.464
275 1HB TRP 41 HB2 TRP 41 6.577 3.975 -3.421
276 2HB TRP 41 HB1 TRP 41 5.708 2.755 -2.505
277 HD1 TRP 41 HD1 TRP 41 9.061 4.753 -2.424
278 HE1 TRP 41 HE1 TRP 41 10.184 4.069 -0.257
279 HE3 TRP 41 HE3 TRP 41 6.003 1.065 -1.052
280 HZ2 TRP 41 HZ2 TRP 41 9.858 2.137 1.882
281 HZ3 TRP 41 HZ3 TRP 41 6.366 -0.235 1.021
282 HH2 TRP 41 HH2 TRP 41 8.293 0.304 2.499
283 H CYS 42 HN CYS 42 5.128 0.572 -4.453
284 HA CYS 42 HA CYS 42 4.702 1.814 -7.136
285 1HB CYS 42 HB2 CYS 42 4.914 -0.725 -6.679
286 2HB CYS 42 HB1 CYS 42 3.250 -0.599 -6.211
287 H GLU 43 HN GLU 43 2.354 2.087 -7.642
288 HA GLU 43 HA GLU 43 0.933 3.102 -5.239
289 1HB GLU 43 HB2 GLU 43 0.945 3.916 -8.150
290 2HB GLU 43 HB1 GLU 43 0.001 4.670 -6.892
291 1HG GLU 43 HG2 GLU 43 2.164 4.929 -5.529
292 2HG GLU 43 HG1 GLU 43 3.054 4.307 -6.897
293 H THR 44 HN THR 44 0.684 0.423 -5.630
294 HA THR 44 HA THR 44 -1.531 -0.383 -7.215
295 HB THR 44 HB THR 44 -1.445 -2.356 -5.498
296 HG1 THR 44 HG1 THR 44 -0.745 -0.515 -4.144
297 1HG2 THR 44 HG2 THR 44 0.102 -2.180 -7.531
298 2HG2 THR 44 HG2 THR 44 0.906 -2.957 -6.138
299 3HG2 THR 44 HG2 THR 44 1.246 -1.249 -6.511
Start of MODEL 2
1 1H ASP 1 HT1 ASP 1 1.264 1.156 0.165
2 2H ASP 1 HT2 ASP 1 0.284 2.193 -0.802
3 3H ASP 1 HT3 ASP 1 1.628 2.831 -0.013
4 HA ASP 1 HA ASP 1 1.447 1.699 -2.545
5 1HB ASP 1 HB2 ASP 1 3.844 2.714 -0.898
6 2HB ASP 1 HB1 ASP 1 3.805 2.523 -2.638
7 H LYS 2 HN LYS 2 2.950 0.162 -3.460
8 HA LYS 2 HA LYS 2 3.480 -2.119 -1.574
9 1HB LYS 2 HB2 LYS 2 1.717 -2.182 -3.438
10 2HB LYS 2 HB1 LYS 2 3.059 -2.347 -4.548
11 1HG LYS 2 HG2 LYS 2 3.681 -4.470 -3.552
12 2HG LYS 2 HG1 LYS 2 2.587 -4.210 -2.187
13 1HD LYS 2 HD2 LYS 2 0.631 -4.231 -3.616
14 2HD LYS 2 HD1 LYS 2 1.606 -4.163 -5.070
15 1HE LYS 2 HE2 LYS 2 2.513 -6.466 -4.430
16 2HE LYS 2 HE1 LYS 2 1.291 -6.505 -3.164
17 1HZ LYS 2 HZ1 LYS 2 -0.154 -7.197 -4.693
18 2HZ LYS 2 HZ2 LYS 2 1.051 -7.025 -5.885
19 3HZ LYS 2 HZ3 LYS 2 0.030 -5.736 -5.576
20 H LEU 3 HN LEU 3 5.556 -2.716 -1.286
21 HA LEU 3 HA LEU 3 7.648 -1.377 -2.885
22 1HB LEU 3 HB2 LEU 3 7.742 -1.567 -0.401
23 2HB LEU 3 HB1 LEU 3 7.837 -3.308 -0.532
24 HG LEU 3 HG LEU 3 9.943 -1.605 -1.951
25 1HD1 LEU 3 HD1 LEU 3 11.317 -1.676 0.062
26 2HD1 LEU 3 HD1 LEU 3 9.974 -2.437 0.971
27 3HD1 LEU 3 HD1 LEU 3 9.813 -0.766 0.341
28 1HD2 LEU 3 HD2 LEU 3 10.029 -4.277 -0.498
29 2HD2 LEU 3 HD2 LEU 3 11.354 -3.529 -1.449
30 3HD2 LEU 3 HD2 LEU 3 9.878 -4.103 -2.267
31 H ILE 4 HN ILE 4 8.447 -2.180 -4.614
32 HA ILE 4 HA ILE 4 8.430 -5.179 -5.023
33 HB ILE 4 HB ILE 4 8.077 -4.702 -7.422
34 1HG1 ILE 4 HG1 ILE 4 7.189 -2.300 -7.941
35 2HG1 ILE 4 HG1 ILE 4 8.052 -1.792 -6.521
36 1HG2 ILE 4 HG2 ILE 4 6.077 -3.350 -5.595
37 2HG2 ILE 4 HG2 ILE 4 6.157 -5.098 -5.972
38 3HG2 ILE 4 HG2 ILE 4 5.761 -3.916 -7.257
39 1HD1 ILE 4 HD1 ILE 4 9.327 -1.443 -8.541
40 2HD1 ILE 4 HD2 ILE 4 9.196 -3.172 -8.963
41 3HD1 ILE 4 HD3 ILE 4 10.168 -2.647 -7.542
42 H GLY 5 HN GLY 5 10.543 -2.967 -4.155
43 1HA GLY 5 HA2 GLY 5 12.853 -4.361 -4.846
44 2HA GLY 5 HA1 GLY 5 12.610 -3.219 -6.166
45 H SER 6 HN SER 6 14.784 -2.695 -5.012
46 HA SER 6 HA SER 6 14.457 -0.832 -2.719
47 1HB SER 6 HB2 SER 6 16.405 -2.750 -3.255
48 2HB SER 6 HB1 SER 6 17.158 -1.359 -3.953
49 HG SER 6 HG SER 6 16.289 -0.527 -1.627
50 H CYS 7 HN CYS 7 16.440 0.958 -3.152
51 HA CYS 7 HA CYS 7 16.128 2.129 -5.861
52 1HB CYS 7 HB2 CYS 7 14.202 2.985 -4.586
53 2HB CYS 7 HB1 CYS 7 15.278 3.622 -3.364
54 H VAL 8 HN VAL 8 18.251 1.106 -3.912
55 HA VAL 8 HA VAL 8 19.945 3.509 -3.518
56 HB VAL 8 HB VAL 8 20.657 0.549 -3.064
57 1HG1 VAL 8 HG1 VAL 8 22.299 1.435 -1.462
58 2HG1 VAL 8 HG1 VAL 8 21.748 3.105 -1.819
59 3HG1 VAL 8 HG1 VAL 8 22.600 2.158 -3.066
60 1HG2 VAL 8 HG2 VAL 8 18.670 1.088 -1.789
61 2HG2 VAL 8 HG2 VAL 8 19.509 2.534 -1.160
62 3HG2 VAL 8 HG2 VAL 8 20.088 0.894 -0.719
63 H TRP 9 HN TRP 9 22.004 0.952 -4.402
64 HA TRP 9 HA TRP 9 21.945 1.265 -7.274
65 1HB TRP 9 HB2 TRP 9 22.771 3.525 -6.741
66 2HB TRP 9 HB1 TRP 9 24.030 2.847 -5.723
67 HD1 TRP 9 HD1 TRP 9 26.264 2.108 -6.852
68 HE1 TRP 9 HE1 TRP 9 26.985 2.177 -9.260
69 HE3 TRP 9 HE3 TRP 9 21.905 3.156 -9.036
70 HZ2 TRP 9 HZ2 TRP 9 25.888 2.625 -11.921
71 HZ3 TRP 9 HZ3 TRP 9 21.695 3.411 -11.502
72 HH2 TRP 9 HH2 TRP 9 23.691 3.139 -12.937
73 H GLY 10 HN GLY 10 22.430 -0.870 -7.639
74 1HA GLY 10 HA2 GLY 10 24.275 -2.431 -8.047
75 2HA GLY 10 HA1 GLY 10 25.049 -1.865 -6.571
76 H ALA 11 HN ALA 11 22.436 -1.901 -5.162
77 HA ALA 11 HA ALA 11 22.604 -4.465 -3.948
78 1HB ALA 11 HB1 ALA 11 20.402 -3.917 -2.943
79 2HB ALA 11 HB2 ALA 11 20.217 -2.589 -4.126
80 3HB ALA 11 HB3 ALA 11 21.510 -2.519 -2.887
81 H VAL 12 HN VAL 12 21.414 -6.391 -4.223
82 HA VAL 12 HA VAL 12 20.400 -6.815 -6.920
83 HB VAL 12 HB VAL 12 20.357 -8.673 -4.555
84 1HG1 VAL 12 HG1 VAL 12 20.435 -10.471 -6.231
85 2HG1 VAL 12 HG1 VAL 12 20.361 -9.240 -7.528
86 3HG1 VAL 12 HG1 VAL 12 18.985 -9.449 -6.399
87 1HG2 VAL 12 HG2 VAL 12 22.504 -9.579 -5.416
88 2HG2 VAL 12 HG2 VAL 12 22.651 -7.868 -4.929
89 3HG2 VAL 12 HG2 VAL 12 22.500 -8.288 -6.660
90 H ASN 13 HN ASN 13 18.808 -5.121 -6.504
91 HA ASN 13 HA ASN 13 16.178 -6.227 -6.393
92 1HB ASN 13 HB2 ASN 13 17.238 -5.341 -3.789
93 2HB ASN 13 HB1 ASN 13 15.716 -4.540 -4.184
94 1HD2 ASN 13 HD2 ASN 13 16.834 -7.341 -2.698
95 2HD2 ASN 13 HD2 ASN 13 15.460 -8.305 -2.968
96 H TYR 14 HN TYR 14 18.226 -3.438 -6.416
97 HA TYR 14 HA TYR 14 16.400 -1.341 -6.731
98 1HB TYR 14 HB2 TYR 14 18.956 -1.114 -6.709
99 2HB TYR 14 HB1 TYR 14 18.904 -1.645 -8.382
100 HD1 TYR 14 HD1 TYR 14 17.471 -0.238 -10.065
101 HD2 TYR 14 HD2 TYR 14 18.640 1.216 -6.250
102 HE1 TYR 14 HE1 TYR 14 17.016 2.071 -10.785
103 HE2 TYR 14 HE2 TYR 14 18.177 3.522 -6.976
104 HH TYR 14 HH TYR 14 18.072 4.749 -9.025
105 H THR 15 HN THR 15 15.148 -0.561 -8.395
106 HA THR 15 HA THR 15 14.863 -2.290 -10.794
107 HB THR 15 HB THR 15 12.578 -0.812 -10.743
108 HG1 THR 15 HG1 THR 15 12.219 -0.046 -8.789
109 1HG2 THR 15 HG2 THR 15 12.731 -3.354 -10.404
110 2HG2 THR 15 HG2 THR 15 11.508 -2.545 -9.382
111 3HG2 THR 15 HG2 THR 15 13.097 -3.005 -8.689
112 H SER 16 HN SER 16 15.957 -1.434 -12.459
113 HA SER 16 HA SER 16 16.786 1.263 -12.793
114 1HB SER 16 HB2 SER 16 17.644 -0.713 -14.148
115 2HB SER 16 HB1 SER 16 16.094 -0.757 -14.996
116 HG SER 16 HG SER 16 18.171 0.942 -15.351
117 H ASP 17 HN ASP 17 13.862 -0.349 -13.679
118 HA ASP 17 HA ASP 17 12.603 2.272 -14.400
119 1HB ASP 17 HB2 ASP 17 13.140 0.418 -16.221
120 2HB ASP 17 HB1 ASP 17 11.727 -0.365 -15.521
121 H CYS 18 HN CYS 18 12.073 2.326 -12.108
122 HA CYS 18 HA CYS 18 10.663 0.546 -10.506
123 1HB CYS 18 HB2 CYS 18 11.464 2.963 -10.129
124 2HB CYS 18 HB1 CYS 18 9.873 3.368 -10.673
125 H ASN 19 HN ASN 19 8.983 3.017 -12.449
126 HA ASN 19 HA ASN 19 6.429 1.715 -12.117
127 1HB ASN 19 HB2 ASN 19 6.849 4.197 -12.739
128 2HB ASN 19 HB1 ASN 19 7.068 3.646 -14.394
129 1HD2 ASN 19 HD2 ASN 19 4.755 1.437 -13.654
130 2HD2 ASN 19 HD2 ASN 19 3.390 2.437 -13.814
131 H GLY 20 HN GLY 20 9.049 1.335 -14.474
132 1HA GLY 20 HA2 GLY 20 7.571 0.043 -16.542
133 2HA GLY 20 HA1 GLY 20 9.297 -0.185 -16.216
134 H GLU 21 HN GLU 21 9.364 -1.204 -13.802
135 HA GLU 21 HA GLU 21 8.668 -3.972 -14.139
136 1HB GLU 21 HB2 GLU 21 10.530 -2.955 -12.770
137 2HB GLU 21 HB1 GLU 21 9.352 -2.401 -11.627
138 1HG GLU 21 HG2 GLU 21 10.531 -4.549 -10.935
139 2HG GLU 21 HG1 GLU 21 8.783 -4.521 -10.908
140 H CYS 22 HN CYS 22 7.328 -1.416 -12.127
141 HA CYS 22 HA CYS 22 5.225 -2.839 -10.896
142 1HB CYS 22 HB2 CYS 22 6.071 -0.382 -10.687
143 2HB CYS 22 HB1 CYS 22 4.859 -0.027 -11.870
144 H LYS 23 HN LYS 23 5.151 -1.049 -13.945
145 HA LYS 23 HA LYS 23 2.517 -1.641 -14.745
146 1HB LYS 23 HB2 LYS 23 4.143 0.114 -15.700
147 2HB LYS 23 HB1 LYS 23 5.025 -1.183 -16.458
148 1HG LYS 23 HG2 LYS 23 3.532 -0.083 -18.054
149 2HG LYS 23 HG1 LYS 23 3.107 -1.765 -17.805
150 1HD LYS 23 HD2 LYS 23 1.267 -1.012 -16.188
151 2HD LYS 23 HD1 LYS 23 1.810 0.631 -16.348
152 1HE LYS 23 HE2 LYS 23 -0.239 0.039 -17.736
153 2HE LYS 23 HE1 LYS 23 1.078 0.700 -18.692
154 1HZ LYS 23 HZ1 LYS 23 -0.163 -1.831 -18.907
155 2HZ LYS 23 HZ2 LYS 23 1.445 -2.068 -18.477
156 3HZ LYS 23 HZ3 LYS 23 1.061 -1.205 -19.899
157 H ARG 24 HN ARG 24 5.588 -3.330 -15.238
158 HA ARG 24 HA ARG 24 4.682 -5.415 -16.896
159 1HB ARG 24 HB2 ARG 24 7.067 -4.664 -15.531
160 2HB ARG 24 HB1 ARG 24 6.666 -6.181 -14.827
161 1HG ARG 24 HG2 ARG 24 6.469 -6.126 -17.814
162 2HG ARG 24 HG1 ARG 24 8.054 -5.719 -17.233
163 1HD ARG 24 HD2 ARG 24 6.507 -8.292 -16.661
164 2HD ARG 24 HD1 ARG 24 7.929 -8.128 -17.686
165 HE ARG 24 HE ARG 24 9.060 -7.311 -15.406
166 1HH1 ARG 24 HH2 ARG 24 8.670 -10.222 -16.230
167 2HH1 ARG 24 HH2 ARG 24 8.218 -10.974 -14.751
168 1HH2 ARG 24 HH1 ARG 24 7.615 -7.713 -13.373
169 2HH2 ARG 24 HH1 ARG 24 7.460 -9.384 -12.950
170 H ARG 25 HN ARG 25 4.171 -4.819 -13.537
171 HA ARG 25 HA ARG 25 3.013 -7.547 -13.111
172 1HB ARG 25 HB2 ARG 25 2.920 -5.485 -10.903
173 2HB ARG 25 HB1 ARG 25 3.325 -7.188 -10.788
174 1HG ARG 25 HG2 ARG 25 5.495 -6.492 -12.158
175 2HG ARG 25 HG1 ARG 25 4.902 -4.891 -11.774
176 1HD ARG 25 HD2 ARG 25 5.602 -4.792 -9.690
177 2HD ARG 25 HD1 ARG 25 5.397 -6.512 -9.373
178 HE ARG 25 HE ARG 25 7.500 -5.639 -11.351
179 1HH1 ARG 25 HH2 ARG 25 6.876 -8.293 -10.187
180 2HH1 ARG 25 HH2 ARG 25 8.201 -8.599 -9.114
181 1HH2 ARG 25 HH1 ARG 25 9.113 -5.152 -9.173
182 2HH2 ARG 25 HH1 ARG 25 9.528 -6.633 -8.451
183 H GLY 26 HN GLY 26 1.878 -5.160 -14.688
184 1HA GLY 26 HA2 GLY 26 -0.281 -4.308 -15.106
185 2HA GLY 26 HA1 GLY 26 -0.880 -5.715 -14.219
186 H TYR 27 HN TYR 27 1.358 -3.624 -12.558
187 HA TYR 27 HA TYR 27 -0.780 -2.972 -10.629
188 1HB TYR 27 HB2 TYR 27 2.178 -2.335 -10.799
189 2HB TYR 27 HB1 TYR 27 1.235 -1.626 -9.527
190 HD1 TYR 27 HD1 TYR 27 3.064 -2.797 -8.184
191 HD2 TYR 27 HD2 TYR 27 0.063 -5.013 -10.269
192 HE1 TYR 27 HE1 TYR 27 3.521 -4.742 -6.793
193 HE2 TYR 27 HE2 TYR 27 0.534 -6.939 -8.885
194 HH TYR 27 HH TYR 27 3.049 -7.560 -7.402
195 H LYS 28 HN LYS 28 -0.249 -0.425 -9.788
196 HA LYS 28 HA LYS 28 -1.457 1.153 -11.949
197 1HB LYS 28 HB2 LYS 28 -0.710 1.892 -9.094
198 2HB LYS 28 HB1 LYS 28 -1.615 2.929 -10.176
199 1HG LYS 28 HG2 LYS 28 -3.520 1.696 -10.030
200 2HG LYS 28 HG1 LYS 28 -2.698 0.177 -9.831
201 1HD LYS 28 HD2 LYS 28 -2.029 1.177 -7.431
202 2HD LYS 28 HD1 LYS 28 -3.188 2.433 -7.775
203 1HE LYS 28 HE2 LYS 28 -4.096 0.504 -6.393
204 2HE LYS 28 HE1 LYS 28 -5.014 0.843 -7.860
205 1HZ LYS 28 HZ1 LYS 28 -4.545 -1.221 -8.582
206 2HZ LYS 28 HZ2 LYS 28 -3.639 -1.573 -7.182
207 3HZ LYS 28 HZ3 LYS 28 -2.890 -0.903 -8.464
208 H GLY 29 HN GLY 29 1.273 1.824 -9.758
209 1HA GLY 29 HA2 GLY 29 3.025 2.440 -11.909
210 2HA GLY 29 HA1 GLY 29 2.439 3.928 -11.210
211 H GLY 30 HN GLY 30 5.106 3.718 -10.844
212 1HA GLY 30 HA2 GLY 30 5.439 3.132 -8.069
213 2HA GLY 30 HA1 GLY 30 6.311 1.976 -9.078
214 H HIS 31 HN HIS 31 7.414 3.801 -7.234
215 HA HIS 31 HA HIS 31 9.401 5.186 -8.896
216 1HB HIS 31 HB2 HIS 31 8.806 7.486 -7.778
217 2HB HIS 31 HB1 HIS 31 7.654 6.917 -8.986
218 HD1 HIS 31 HD1 HIS 31 5.512 5.298 -7.593
219 HD2 HIS 31 HD2 HIS 31 7.726 7.995 -5.332
220 HE1 HIS 31 HE1 HIS 31 4.295 5.598 -5.497
221 HE2 HIS 31 HE2 HIS 31 5.639 7.209 -4.165
222 H CYS 32 HN CYS 32 10.797 6.622 -7.348
223 HA CYS 32 HA CYS 32 11.418 4.942 -4.993
224 1HB CYS 32 HB2 CYS 32 13.142 6.045 -6.541
225 2HB CYS 32 HB1 CYS 32 12.691 7.566 -5.834
226 H GLY 33 HN GLY 33 11.762 6.120 -2.855
227 1HA GLY 33 HA2 GLY 33 10.621 8.646 -2.224
228 2HA GLY 33 HA1 GLY 33 9.323 7.465 -2.083
229 H SER 34 HN SER 34 12.771 7.878 -0.957
230 HA SER 34 HA SER 34 11.903 7.380 1.751
231 1HB SER 34 HB2 SER 34 13.674 5.386 0.186
232 2HB SER 34 HB1 SER 34 13.442 5.309 1.936
233 HG SER 34 HG SER 34 11.030 5.475 0.983
234 H PHE 35 HN PHE 35 14.662 6.778 2.475
235 HA PHE 35 HA PHE 35 15.751 9.527 2.207
236 1HB PHE 35 HB2 PHE 35 15.686 8.263 4.482
237 2HB PHE 35 HB1 PHE 35 17.002 7.285 3.822
238 HD1 PHE 35 HD1 PHE 35 15.991 10.870 4.219
239 HD2 PHE 35 HD2 PHE 35 19.214 8.080 4.115
240 HE1 PHE 35 HE1 PHE 35 17.566 12.667 4.769
241 HE2 PHE 35 HE2 PHE 35 20.781 9.878 4.666
242 HZ PHE 35 HZ PHE 35 19.965 12.176 4.993
243 H ALA 36 HN ALA 36 17.582 9.976 1.153
244 HA ALA 36 HA ALA 36 19.152 9.744 -0.625
245 1HB ALA 36 HB1 ALA 36 20.417 9.056 1.368
246 2HB ALA 36 HB2 ALA 36 20.912 8.125 -0.077
247 3HB ALA 36 HB3 ALA 36 19.833 7.377 1.131
248 H ASN 37 HN ASN 37 16.566 8.366 -1.038
249 HA ASN 37 HA ASN 37 15.606 6.852 -2.645
250 1HB ASN 37 HB2 ASN 37 18.360 6.937 -3.907
251 2HB ASN 37 HB1 ASN 37 16.837 6.667 -4.714
252 1HD2 ASN 37 HD2 ASN 37 19.055 9.096 -4.328
253 2HD2 ASN 37 HD2 ASN 37 18.003 10.429 -4.432
254 H VAL 38 HN VAL 38 15.390 5.132 -1.125
255 HA VAL 38 HA VAL 38 17.418 2.961 -1.478
256 HB VAL 38 HB VAL 38 16.778 2.245 0.901
257 1HG1 VAL 38 HG1 VAL 38 18.226 3.972 1.992
258 2HG1 VAL 38 HG1 VAL 38 18.125 4.925 0.474
259 3HG1 VAL 38 HG1 VAL 38 18.924 3.329 0.489
260 1HG2 VAL 38 HG2 VAL 38 14.737 3.554 1.086
261 2HG2 VAL 38 HG2 VAL 38 15.706 5.066 0.984
262 3HG2 VAL 38 HG2 VAL 38 15.900 3.966 2.374
263 H ASN 39 HN ASN 39 13.960 3.662 -1.283
264 HA ASN 39 HA ASN 39 13.463 0.805 -1.956
265 1HB ASN 39 HB2 ASN 39 11.607 2.584 -0.429
266 2HB ASN 39 HB1 ASN 39 11.417 0.889 -0.769
267 1HD2 ASN 39 HD2 ASN 39 12.388 3.110 1.506
268 2HD2 ASN 39 HD2 ASN 39 13.191 2.031 2.573
269 H CYS 40 HN CYS 40 11.974 0.397 -3.602
270 HA CYS 40 HA CYS 40 10.886 2.844 -4.961
271 1HB CYS 40 HB2 CYS 40 12.329 0.613 -6.026
272 2HB CYS 40 HB1 CYS 40 10.663 0.386 -6.510
273 H TRP 41 HN TRP 41 8.853 3.160 -4.440
274 HA TRP 41 HA TRP 41 7.175 0.851 -3.546
275 1HB TRP 41 HB2 TRP 41 6.546 3.799 -3.174
276 2HB TRP 41 HB1 TRP 41 5.839 2.443 -2.330
277 HD1 TRP 41 HD1 TRP 41 9.118 4.557 -2.411
278 HE1 TRP 41 HE1 TRP 41 10.315 3.974 -0.271
279 HE3 TRP 41 HE3 TRP 41 6.163 0.843 -0.742
280 HZ2 TRP 41 HZ2 TRP 41 10.125 2.121 1.937
281 HZ3 TRP 41 HZ3 TRP 41 6.658 -0.331 1.388
282 HH2 TRP 41 HH2 TRP 41 8.641 0.311 2.730
283 H CYS 42 HN CYS 42 5.157 0.454 -4.451
284 HA CYS 42 HA CYS 42 4.607 1.782 -7.039
285 1HB CYS 42 HB2 CYS 42 4.041 -0.948 -5.921
286 2HB CYS 42 HB1 CYS 42 2.937 -0.308 -7.088
287 H GLU 43 HN GLU 43 2.279 2.005 -7.513
288 HA GLU 43 HA GLU 43 0.954 3.276 -5.244
289 1HB GLU 43 HB2 GLU 43 0.582 3.128 -8.247
290 2HB GLU 43 HB1 GLU 43 -0.653 3.844 -7.235
291 1HG GLU 43 HG2 GLU 43 0.730 5.721 -7.646
292 2HG GLU 43 HG1 GLU 43 1.555 5.129 -6.225
293 H THR 44 HN THR 44 0.777 0.185 -6.761
294 HA THR 44 HA THR 44 -1.984 -0.210 -5.793
295 HB THR 44 HB THR 44 -0.994 -1.445 -7.921
296 HG1 THR 44 HG1 THR 44 -2.184 -2.545 -5.630
297 1HG2 THR 44 HG2 THR 44 0.975 -2.468 -6.609
298 2HG2 THR 44 HG2 THR 44 -0.096 -3.622 -7.483
299 3HG2 THR 44 HG2 THR 44 -0.251 -3.424 -5.726
Start of MODEL 3
1 1H ASP 1 HT1 ASP 1 0.598 1.042 -0.295
2 2H ASP 1 HT2 ASP 1 -0.165 2.034 -1.498
3 3H ASP 1 HT3 ASP 1 0.875 2.732 -0.366
4 HA ASP 1 HA ASP 1 1.478 1.723 -2.854
5 1HB ASP 1 HB2 ASP 1 3.541 2.582 -0.769
6 2HB ASP 1 HB1 ASP 1 3.635 2.642 -2.508
7 H LYS 2 HN LYS 2 2.486 -0.064 -3.485
8 HA LYS 2 HA LYS 2 3.232 -2.083 -1.393
9 1HB LYS 2 HB2 LYS 2 1.981 -2.250 -3.980
10 2HB LYS 2 HB1 LYS 2 3.528 -3.020 -4.166
11 1HG LYS 2 HG2 LYS 2 1.579 -3.724 -1.928
12 2HG LYS 2 HG1 LYS 2 1.559 -4.511 -3.491
13 1HD LYS 2 HD2 LYS 2 3.997 -5.167 -3.113
14 2HD LYS 2 HD1 LYS 2 3.856 -4.540 -1.471
15 1HE LYS 2 HE2 LYS 2 2.119 -6.136 -0.890
16 2HE LYS 2 HE1 LYS 2 1.997 -6.686 -2.555
17 1HZ LYS 2 HZ1 LYS 2 4.677 -6.940 -1.805
18 2HZ LYS 2 HZ2 LYS 2 3.555 -8.167 -2.144
19 3HZ LYS 2 HZ3 LYS 2 3.736 -7.630 -0.552
20 H LEU 3 HN LEU 3 5.298 -3.354 -1.815
21 HA LEU 3 HA LEU 3 7.496 -1.550 -2.795
22 1HB LEU 3 HB2 LEU 3 7.492 -1.954 -0.388
23 2HB LEU 3 HB1 LEU 3 7.449 -3.679 -0.625
24 HG LEU 3 HG LEU 3 9.796 -2.060 -1.704
25 1HD1 LEU 3 HD1 LEU 3 9.428 -3.222 1.082
26 2HD1 LEU 3 HD1 LEU 3 9.496 -1.489 0.651
27 3HD1 LEU 3 HD1 LEU 3 10.933 -2.529 0.417
28 1HD2 LEU 3 HD2 LEU 3 9.602 -4.475 -2.360
29 2HD2 LEU 3 HD2 LEU 3 9.518 -4.897 -0.624
30 3HD2 LEU 3 HD2 LEU 3 10.997 -4.144 -1.315
31 H ILE 4 HN ILE 4 8.462 -2.225 -4.580
32 HA ILE 4 HA ILE 4 8.476 -5.188 -5.206
33 HB ILE 4 HB ILE 4 8.249 -4.686 -7.485
34 1HG1 ILE 4 HG1 ILE 4 7.719 -1.828 -7.570
35 2HG1 ILE 4 HG1 ILE 4 9.256 -2.041 -6.768
36 1HG2 ILE 4 HG2 ILE 4 6.159 -4.753 -6.281
37 2HG2 ILE 4 HG2 ILE 4 6.100 -3.516 -7.588
38 3HG2 ILE 4 HG2 ILE 4 6.295 -3.015 -5.891
39 1HD1 ILE 4 HD1 ILE 4 9.996 -3.565 -8.562
40 2HD1 ILE 4 HD2 ILE 4 9.561 -1.937 -9.160
41 3HD1 ILE 4 HD3 ILE 4 8.424 -3.285 -9.389
42 H GLY 5 HN GLY 5 10.448 -2.513 -4.493
43 1HA GLY 5 HA2 GLY 5 12.877 -4.005 -4.786
44 2HA GLY 5 HA1 GLY 5 12.695 -2.958 -6.188
45 H SER 6 HN SER 6 14.822 -2.260 -4.921
46 HA SER 6 HA SER 6 14.082 -0.093 -3.089
47 1HB SER 6 HB2 SER 6 15.993 -2.249 -2.903
48 2HB SER 6 HB1 SER 6 16.898 -0.755 -2.857
49 HG SER 6 HG SER 6 15.605 -0.070 -1.197
50 H CYS 7 HN CYS 7 16.402 1.417 -3.173
51 HA CYS 7 HA CYS 7 16.611 2.167 -6.050
52 1HB CYS 7 HB2 CYS 7 16.289 3.874 -3.699
53 2HB CYS 7 HB1 CYS 7 16.490 4.447 -5.317
54 H VAL 8 HN VAL 8 18.496 0.626 -4.429
55 HA VAL 8 HA VAL 8 20.783 2.540 -4.255
56 HB VAL 8 HB VAL 8 20.344 -0.048 -2.725
57 1HG1 VAL 8 HG1 VAL 8 22.239 0.695 -1.355
58 2HG1 VAL 8 HG1 VAL 8 22.441 2.126 -2.415
59 3HG1 VAL 8 HG1 VAL 8 22.714 0.479 -3.060
60 1HG2 VAL 8 HG2 VAL 8 20.117 2.843 -1.832
61 2HG2 VAL 8 HG2 VAL 8 20.010 1.401 -0.766
62 3HG2 VAL 8 HG2 VAL 8 18.779 1.675 -2.030
63 H TRP 9 HN TRP 9 21.422 2.272 -6.320
64 HA TRP 9 HA TRP 9 21.764 0.017 -7.940
65 1HB TRP 9 HB2 TRP 9 22.431 2.633 -8.226
66 2HB TRP 9 HB1 TRP 9 24.029 2.024 -7.882
67 HD1 TRP 9 HD1 TRP 9 21.357 2.164 -10.588
68 HE1 TRP 9 HE1 TRP 9 22.357 1.103 -12.633
69 HE3 TRP 9 HE3 TRP 9 25.568 0.193 -8.639
70 HZ2 TRP 9 HZ2 TRP 9 24.646 -0.423 -13.459
71 HZ3 TRP 9 HZ3 TRP 9 27.156 -1.068 -10.046
72 HH2 TRP 9 HH2 TRP 9 26.694 -1.377 -12.463
73 H GLY 10 HN GLY 10 22.367 -1.846 -6.706
74 1HA GLY 10 HA2 GLY 10 24.847 -2.900 -6.646
75 2HA GLY 10 HA1 GLY 10 24.932 -1.855 -5.223
76 H ALA 11 HN ALA 11 22.095 -2.193 -4.608
77 HA ALA 11 HA ALA 11 22.326 -4.617 -2.996
78 1HB ALA 11 HB1 ALA 11 21.057 -2.603 -2.238
79 2HB ALA 11 HB2 ALA 11 19.999 -4.045 -2.291
80 3HB ALA 11 HB3 ALA 11 19.925 -2.836 -3.606
81 H VAL 12 HN VAL 12 20.802 -6.449 -3.172
82 HA VAL 12 HA VAL 12 20.431 -7.212 -5.990
83 HB VAL 12 HB VAL 12 21.465 -8.649 -4.236
84 1HG1 VAL 12 HG1 VAL 12 18.674 -8.817 -3.087
85 2HG1 VAL 12 HG1 VAL 12 20.102 -8.055 -2.325
86 3HG1 VAL 12 HG1 VAL 12 20.072 -9.819 -2.597
87 1HG2 VAL 12 HG2 VAL 12 20.596 -9.705 -6.207
88 2HG2 VAL 12 HG2 VAL 12 18.984 -9.870 -5.448
89 3HG2 VAL 12 HG2 VAL 12 20.380 -10.760 -4.780
90 H ASN 13 HN ASN 13 18.815 -5.146 -5.345
91 HA ASN 13 HA ASN 13 16.183 -6.218 -6.081
92 1HB ASN 13 HB2 ASN 13 14.994 -5.205 -4.038
93 2HB ASN 13 HB1 ASN 13 16.015 -6.583 -3.664
94 1HD2 ASN 13 HD2 ASN 13 16.360 -5.755 -1.444
95 2HD2 ASN 13 HD2 ASN 13 17.391 -4.423 -1.197
96 H TYR 14 HN TYR 14 18.260 -4.000 -6.792
97 HA TYR 14 HA TYR 14 16.713 -1.542 -6.527
98 1HB TYR 14 HB2 TYR 14 19.176 -1.549 -6.658
99 2HB TYR 14 HB1 TYR 14 19.081 -2.314 -8.233
100 HD1 TYR 14 HD1 TYR 14 19.101 -0.972 -10.191
101 HD2 TYR 14 HD2 TYR 14 18.052 0.748 -6.468
102 HE1 TYR 14 HE1 TYR 14 19.073 1.236 -11.221
103 HE2 TYR 14 HE2 TYR 14 18.020 3.016 -7.456
104 HH TYR 14 HH TYR 14 18.151 4.126 -9.480
105 H THR 15 HN THR 15 15.667 -0.375 -8.254
106 HA THR 15 HA THR 15 14.830 -2.087 -10.520
107 HB THR 15 HB THR 15 12.776 -0.384 -10.283
108 HG1 THR 15 HG1 THR 15 13.159 0.799 -8.532
109 1HG2 THR 15 HG2 THR 15 12.681 -2.903 -9.953
110 2HG2 THR 15 HG2 THR 15 11.702 -2.022 -8.741
111 3HG2 THR 15 HG2 THR 15 13.318 -2.636 -8.298
112 H SER 16 HN SER 16 16.304 -1.299 -12.123
113 HA SER 16 HA SER 16 17.011 1.337 -12.544
114 1HB SER 16 HB2 SER 16 16.641 -1.152 -14.265
115 2HB SER 16 HB1 SER 16 17.206 0.354 -14.948
116 HG SER 16 HG SER 16 19.052 -0.231 -14.161
117 H ASP 17 HN ASP 17 14.062 -0.361 -13.395
118 HA ASP 17 HA ASP 17 12.862 2.227 -14.271
119 1HB ASP 17 HB2 ASP 17 13.511 0.473 -16.151
120 2HB ASP 17 HB1 ASP 17 12.110 -0.405 -15.538
121 H CYS 18 HN CYS 18 12.318 2.055 -11.945
122 HA CYS 18 HA CYS 18 10.755 0.213 -10.587
123 1HB CYS 18 HB2 CYS 18 11.719 2.433 -9.875
124 2HB CYS 18 HB1 CYS 18 10.283 3.110 -10.555
125 H ASN 19 HN ASN 19 9.238 2.971 -12.297
126 HA ASN 19 HA ASN 19 6.623 1.832 -12.122
127 1HB ASN 19 HB2 ASN 19 7.187 4.296 -12.686
128 2HB ASN 19 HB1 ASN 19 7.400 3.758 -14.344
129 1HD2 ASN 19 HD2 ASN 19 5.011 1.622 -13.528
130 2HD2 ASN 19 HD2 ASN 19 3.679 2.640 -13.756
131 H GLY 20 HN GLY 20 9.170 1.477 -14.635
132 1HA GLY 20 HA2 GLY 20 7.568 0.290 -16.645
133 2HA GLY 20 HA1 GLY 20 9.290 -0.037 -16.403
134 H GLU 21 HN GLU 21 9.479 -1.211 -14.061
135 HA GLU 21 HA GLU 21 8.474 -3.872 -14.488
136 1HB GLU 21 HB2 GLU 21 10.519 -3.104 -13.108
137 2HB GLU 21 HB1 GLU 21 9.417 -2.655 -11.852
138 1HG GLU 21 HG2 GLU 21 10.372 -4.993 -11.468
139 2HG GLU 21 HG1 GLU 21 8.623 -4.843 -11.485
140 H CYS 22 HN CYS 22 7.478 -1.317 -12.290
141 HA CYS 22 HA CYS 22 5.357 -2.495 -10.916
142 1HB CYS 22 HB2 CYS 22 6.383 -0.109 -10.940
143 2HB CYS 22 HB1 CYS 22 5.101 0.245 -12.056
144 H LYS 23 HN LYS 23 5.155 -0.872 -14.046
145 HA LYS 23 HA LYS 23 2.393 -1.466 -14.573
146 1HB LYS 23 HB2 LYS 23 4.575 -0.143 -15.967
147 2HB LYS 23 HB1 LYS 23 4.076 -1.434 -17.023
148 1HG LYS 23 HG2 LYS 23 2.819 0.635 -17.562
149 2HG LYS 23 HG1 LYS 23 1.739 -0.632 -17.016
150 1HD LYS 23 HD2 LYS 23 1.479 0.330 -14.823
151 2HD LYS 23 HD1 LYS 23 2.807 1.439 -15.039
152 1HE LYS 23 HE2 LYS 23 0.138 1.450 -16.548
153 2HE LYS 23 HE1 LYS 23 0.517 2.498 -15.199
154 1HZ LYS 23 HZ1 LYS 23 2.580 2.762 -17.107
155 2HZ LYS 23 HZ2 LYS 23 1.473 3.898 -16.545
156 3HZ LYS 23 HZ3 LYS 23 1.087 2.948 -17.900
157 H ARG 24 HN ARG 24 5.425 -3.176 -15.358
158 HA ARG 24 HA ARG 24 4.270 -5.392 -16.677
159 1HB ARG 24 HB2 ARG 24 6.852 -4.571 -15.950
160 2HB ARG 24 HB1 ARG 24 6.596 -5.901 -14.849
161 1HG ARG 24 HG2 ARG 24 6.029 -7.352 -16.746
162 2HG ARG 24 HG1 ARG 24 6.177 -5.973 -17.823
163 1HD ARG 24 HD2 ARG 24 8.265 -7.253 -18.030
164 2HD ARG 24 HD1 ARG 24 8.614 -5.746 -17.221
165 HE ARG 24 HE ARG 24 8.670 -7.041 -15.020
166 1HH1 ARG 24 HH2 ARG 24 7.560 -9.422 -16.478
167 2HH1 ARG 24 HH2 ARG 24 8.919 -10.484 -16.605
168 1HH2 ARG 24 HH1 ARG 24 11.026 -7.706 -15.723
169 2HH2 ARG 24 HH1 ARG 24 11.143 -9.385 -16.152
170 H ARG 25 HN ARG 25 4.334 -4.469 -13.350
171 HA ARG 25 HA ARG 25 3.510 -7.129 -12.369
172 1HB ARG 25 HB2 ARG 25 3.574 -4.501 -10.886
173 2HB ARG 25 HB1 ARG 25 3.489 -6.086 -10.172
174 1HG ARG 25 HG2 ARG 25 5.821 -5.975 -11.935
175 2HG ARG 25 HG1 ARG 25 5.790 -4.511 -10.994
176 1HD ARG 25 HD2 ARG 25 6.122 -5.621 -8.971
177 2HD ARG 25 HD1 ARG 25 5.252 -7.070 -9.497
178 HE ARG 25 HE ARG 25 8.064 -6.382 -10.319
179 1HH1 ARG 25 HH2 ARG 25 7.069 -8.688 -8.556
180 2HH1 ARG 25 HH2 ARG 25 7.087 -10.007 -9.659
181 1HH2 ARG 25 HH1 ARG 25 7.425 -7.793 -12.386
182 2HH2 ARG 25 HH1 ARG 25 7.306 -9.483 -12.047
183 H GLY 26 HN GLY 26 1.872 -4.948 -14.055
184 1HA GLY 26 HA2 GLY 26 -0.463 -4.753 -14.335
185 2HA GLY 26 HA1 GLY 26 -0.686 -5.878 -12.988
186 H TYR 27 HN TYR 27 1.466 -3.352 -12.149
187 HA TYR 27 HA TYR 27 -0.595 -2.161 -10.361
188 1HB TYR 27 HB2 TYR 27 2.356 -1.567 -10.726
189 2HB TYR 27 HB1 TYR 27 1.352 -0.830 -9.501
190 HD1 TYR 27 HD1 TYR 27 -0.293 -3.411 -8.845
191 HD2 TYR 27 HD2 TYR 27 3.883 -2.667 -9.248
192 HE1 TYR 27 HE1 TYR 27 0.165 -5.225 -7.333
193 HE2 TYR 27 HE2 TYR 27 4.322 -4.533 -7.708
194 HH TYR 27 HH TYR 27 2.104 -6.799 -6.946
195 H LYS 28 HN LYS 28 -0.926 0.100 -10.295
196 HA LYS 28 HA LYS 28 -1.386 1.276 -12.921
197 1HB LYS 28 HB2 LYS 28 -2.394 3.147 -11.545
198 2HB LYS 28 HB1 LYS 28 -3.019 1.576 -11.084
199 1HG LYS 28 HG2 LYS 28 -0.793 1.858 -9.388
200 2HG LYS 28 HG1 LYS 28 -1.339 3.496 -9.534
201 1HD LYS 28 HD2 LYS 28 -3.249 1.241 -8.726
202 2HD LYS 28 HD1 LYS 28 -2.284 2.100 -7.556
203 1HE LYS 28 HE2 LYS 28 -3.315 4.186 -7.974
204 2HE LYS 28 HE1 LYS 28 -4.271 3.543 -9.305
205 1HZ LYS 28 HZ1 LYS 28 -5.802 2.854 -7.816
206 2HZ LYS 28 HZ2 LYS 28 -4.856 3.533 -6.555
207 3HZ LYS 28 HZ3 LYS 28 -4.685 1.918 -6.996
208 H GLY 29 HN GLY 29 1.096 1.584 -10.491
209 1HA GLY 29 HA2 GLY 29 2.959 2.782 -12.189
210 2HA GLY 29 HA1 GLY 29 2.176 4.113 -11.349
211 H GLY 30 HN GLY 30 4.978 3.384 -11.036
212 1HA GLY 30 HA2 GLY 30 5.012 3.179 -8.153
213 2HA GLY 30 HA1 GLY 30 5.751 1.784 -8.950
214 H HIS 31 HN HIS 31 7.109 3.732 -7.324
215 HA HIS 31 HA HIS 31 9.339 4.480 -9.067
216 1HB HIS 31 HB2 HIS 31 9.150 7.004 -8.464
217 2HB HIS 31 HB1 HIS 31 7.965 6.433 -9.631
218 HD1 HIS 31 HD1 HIS 31 5.648 5.452 -8.118
219 HD2 HIS 31 HD2 HIS 31 7.984 8.348 -6.336
220 HE1 HIS 31 HE1 HIS 31 4.255 6.415 -6.303
221 HE2 HIS 31 HE2 HIS 31 5.720 8.160 -5.257
222 H CYS 32 HN CYS 32 10.902 5.962 -7.733
223 HA CYS 32 HA CYS 32 11.204 4.694 -5.129
224 1HB CYS 32 HB2 CYS 32 13.084 5.575 -6.731
225 2HB CYS 32 HB1 CYS 32 12.746 7.138 -6.019
226 H GLY 33 HN GLY 33 11.541 6.115 -3.165
227 1HA GLY 33 HA2 GLY 33 10.350 8.741 -2.950
228 2HA GLY 33 HA1 GLY 33 9.094 7.557 -2.595
229 H SER 34 HN SER 34 12.598 7.448 -1.728
230 HA SER 34 HA SER 34 11.744 7.590 1.110
231 1HB SER 34 HB2 SER 34 13.787 5.688 -0.163
232 2HB SER 34 HB1 SER 34 13.124 5.563 1.479
233 HG SER 34 HG SER 34 11.961 4.934 -0.981
234 H PHE 35 HN PHE 35 14.616 7.301 1.784
235 HA PHE 35 HA PHE 35 15.407 10.123 1.265
236 1HB PHE 35 HB2 PHE 35 15.462 9.238 3.622
237 2HB PHE 35 HB1 PHE 35 16.721 8.109 3.120
238 HD1 PHE 35 HD1 PHE 35 18.941 8.952 2.393
239 HD2 PHE 35 HD2 PHE 35 15.967 11.584 3.935
240 HE1 PHE 35 HE1 PHE 35 20.642 10.691 2.710
241 HE2 PHE 35 HE2 PHE 35 17.671 13.323 4.252
242 HZ PHE 35 HZ PHE 35 20.013 12.881 3.641
243 H ALA 36 HN ALA 36 17.171 10.661 0.155
244 HA ALA 36 HA ALA 36 18.711 10.446 -1.658
245 1HB ALA 36 HB1 ALA 36 19.758 8.410 0.321
246 2HB ALA 36 HB2 ALA 36 20.108 10.174 0.346
247 3HB ALA 36 HB3 ALA 36 20.688 9.154 -1.004
248 H ASN 37 HN ASN 37 16.384 8.797 -2.007
249 HA ASN 37 HA ASN 37 15.624 6.972 -3.448
250 1HB ASN 37 HB2 ASN 37 18.451 7.088 -4.540
251 2HB ASN 37 HB1 ASN 37 17.027 6.447 -5.318
252 1HD2 ASN 37 HD2 ASN 37 16.083 7.816 -6.772
253 2HD2 ASN 37 HD2 ASN 37 16.299 9.512 -6.796
254 H VAL 38 HN VAL 38 15.535 5.651 -1.504
255 HA VAL 38 HA VAL 38 17.633 3.508 -1.568
256 HB VAL 38 HB VAL 38 17.669 5.033 0.328
257 1HG1 VAL 38 HG1 VAL 38 15.536 5.656 0.730
258 2HG1 VAL 38 HG1 VAL 38 16.112 4.855 2.202
259 3HG1 VAL 38 HG1 VAL 38 14.994 3.977 1.119
260 1HG2 VAL 38 HG2 VAL 38 17.042 2.162 1.064
261 2HG2 VAL 38 HG2 VAL 38 17.868 3.331 2.138
262 3HG2 VAL 38 HG2 VAL 38 18.632 2.845 0.600
263 H ASN 39 HN ASN 39 14.220 4.185 -1.428
264 HA ASN 39 HA ASN 39 13.729 1.261 -1.828
265 1HB ASN 39 HB2 ASN 39 12.622 2.944 0.318
266 2HB ASN 39 HB1 ASN 39 11.391 2.066 -0.589
267 1HD2 ASN 39 HD2 ASN 39 11.157 -0.174 -0.078
268 2HD2 ASN 39 HD2 ASN 39 12.306 -0.984 0.874
269 H CYS 40 HN CYS 40 11.936 0.653 -3.227
270 HA CYS 40 HA CYS 40 10.759 2.944 -4.694
271 1HB CYS 40 HB2 CYS 40 12.465 0.943 -5.737
272 2HB CYS 40 HB1 CYS 40 10.864 0.415 -6.193
273 H TRP 41 HN TRP 41 8.704 3.066 -4.615
274 HA TRP 41 HA TRP 41 7.148 0.729 -3.598
275 1HB TRP 41 HB2 TRP 41 6.459 3.688 -3.380
276 2HB TRP 41 HB1 TRP 41 5.633 2.363 -2.575
277 HD1 TRP 41 HD1 TRP 41 8.921 4.409 -2.439
278 HE1 TRP 41 HE1 TRP 41 10.066 3.734 -0.338
279 HE3 TRP 41 HE3 TRP 41 5.926 0.670 -1.132
280 HZ2 TRP 41 HZ2 TRP 41 9.768 1.644 1.816
281 HZ3 TRP 41 HZ3 TRP 41 6.274 -0.688 0.873
282 HH2 TRP 41 HH2 TRP 41 8.215 -0.192 2.380
283 H CYS 42 HN CYS 42 5.102 0.336 -4.495
284 HA CYS 42 HA CYS 42 4.588 1.526 -7.166
285 1HB CYS 42 HB2 CYS 42 4.570 -1.263 -6.157
286 2HB CYS 42 HB1 CYS 42 3.311 -0.850 -7.287
287 H GLU 43 HN GLU 43 2.231 1.274 -7.769
288 HA GLU 43 HA GLU 43 0.546 1.764 -5.365
289 1HB GLU 43 HB2 GLU 43 1.153 3.444 -7.723
290 2HB GLU 43 HB1 GLU 43 -0.565 3.200 -7.540
291 1HG GLU 43 HG2 GLU 43 1.197 3.951 -5.234
292 2HG GLU 43 HG1 GLU 43 0.386 5.123 -6.247
293 H THR 44 HN THR 44 -1.563 1.043 -5.359
294 HA THR 44 HA THR 44 -2.385 -0.722 -7.631
295 HB THR 44 HB THR 44 -3.213 -2.377 -5.851
296 HG1 THR 44 HG1 THR 44 -2.858 -0.355 -4.460
297 1HG2 THR 44 HG2 THR 44 -0.983 -2.579 -7.035
298 2HG2 THR 44 HG2 THR 44 -0.939 -3.250 -5.374
299 3HG2 THR 44 HG2 THR 44 -0.244 -1.641 -5.699
Start of MODEL 4
1 1H ASP 1 HT1 ASP 1 -0.142 2.436 -1.469
2 2H ASP 1 HT2 ASP 1 0.907 2.756 -0.184
3 3H ASP 1 HT3 ASP 1 0.400 1.140 -0.467
4 HA ASP 1 HA ASP 1 1.499 2.054 -2.816
5 1HB ASP 1 HB2 ASP 1 3.445 2.467 -0.474
6 2HB ASP 1 HB1 ASP 1 3.759 2.687 -2.183
7 H LYS 2 HN LYS 2 3.103 0.503 -3.503
8 HA LYS 2 HA LYS 2 3.183 -1.924 -1.700
9 1HB LYS 2 HB2 LYS 2 1.742 -1.823 -3.976
10 2HB LYS 2 HB1 LYS 2 3.276 -2.232 -4.693
11 1HG LYS 2 HG2 LYS 2 2.124 -4.277 -4.322
12 2HG LYS 2 HG1 LYS 2 3.388 -4.243 -3.117
13 1HD LYS 2 HD2 LYS 2 1.763 -3.454 -1.397
14 2HD LYS 2 HD1 LYS 2 0.512 -3.310 -2.620
15 1HE LYS 2 HE2 LYS 2 0.674 -5.793 -3.033
16 2HE LYS 2 HE1 LYS 2 1.897 -5.905 -1.778
17 1HZ LYS 2 HZ1 LYS 2 -0.901 -5.916 -1.512
18 2HZ LYS 2 HZ2 LYS 2 -0.325 -4.568 -0.680
19 3HZ LYS 2 HZ3 LYS 2 0.242 -6.121 -0.284
20 H LEU 3 HN LEU 3 5.079 -3.193 -1.702
21 HA LEU 3 HA LEU 3 7.508 -1.747 -2.694
22 1HB LEU 3 HB2 LEU 3 7.434 -2.341 -0.333
23 2HB LEU 3 HB1 LEU 3 7.137 -4.015 -0.712
24 HG LEU 3 HG LEU 3 9.652 -2.773 -1.855
25 1HD1 LEU 3 HD1 LEU 3 10.840 -3.244 0.252
26 2HD1 LEU 3 HD1 LEU 3 9.279 -3.650 1.027
27 3HD1 LEU 3 HD1 LEU 3 9.587 -1.987 0.435
28 1HD2 LEU 3 HD2 LEU 3 9.021 -5.455 -0.556
29 2HD2 LEU 3 HD2 LEU 3 10.558 -4.989 -1.356
30 3HD2 LEU 3 HD2 LEU 3 9.077 -5.171 -2.321
31 H ILE 4 HN ILE 4 8.312 -2.350 -4.558
32 HA ILE 4 HA ILE 4 8.082 -5.239 -5.396
33 HB ILE 4 HB ILE 4 7.909 -4.465 -7.679
34 1HG1 ILE 4 HG1 ILE 4 7.422 -1.697 -7.602
35 2HG1 ILE 4 HG1 ILE 4 8.826 -1.899 -6.585
36 1HG2 ILE 4 HG2 ILE 4 6.021 -2.962 -5.862
37 2HG2 ILE 4 HG2 ILE 4 5.878 -4.664 -6.371
38 3HG2 ILE 4 HG2 ILE 4 5.740 -3.343 -7.585
39 1HD1 ILE 4 HD1 ILE 4 8.519 -3.079 -9.354
40 2HD1 ILE 4 HD2 ILE 4 9.955 -3.222 -8.269
41 3HD1 ILE 4 HD3 ILE 4 9.454 -1.634 -8.905
42 H GLY 5 HN GLY 5 10.287 -2.719 -4.648
43 1HA GLY 5 HA2 GLY 5 12.552 -4.438 -5.061
44 2HA GLY 5 HA1 GLY 5 12.477 -3.279 -6.376
45 H SER 6 HN SER 6 14.605 -2.988 -4.963
46 HA SER 6 HA SER 6 14.253 -1.036 -2.770
47 1HB SER 6 HB2 SER 6 15.942 -2.759 -2.212
48 2HB SER 6 HB1 SER 6 16.689 -2.511 -3.800
49 HG SER 6 HG SER 6 17.028 -1.047 -1.512
50 H CYS 7 HN CYS 7 15.856 0.789 -2.778
51 HA CYS 7 HA CYS 7 16.294 1.784 -5.574
52 1HB CYS 7 HB2 CYS 7 14.252 2.750 -4.377
53 2HB CYS 7 HB1 CYS 7 15.403 3.493 -3.278
54 H VAL 8 HN VAL 8 17.989 0.457 -3.564
55 HA VAL 8 HA VAL 8 20.004 2.621 -3.064
56 HB VAL 8 HB VAL 8 19.844 -0.114 -1.730
57 1HG1 VAL 8 HG1 VAL 8 21.306 0.967 -0.046
58 2HG1 VAL 8 HG1 VAL 8 21.277 2.465 -1.025
59 3HG1 VAL 8 HG1 VAL 8 22.033 0.980 -1.678
60 1HG2 VAL 8 HG2 VAL 8 18.885 1.008 0.217
61 2HG2 VAL 8 HG2 VAL 8 17.837 1.149 -1.221
62 3HG2 VAL 8 HG2 VAL 8 18.833 2.543 -0.712
63 H TRP 9 HN TRP 9 20.939 2.496 -5.075
64 HA TRP 9 HA TRP 9 21.719 0.366 -6.677
65 1HB TRP 9 HB2 TRP 9 22.327 3.123 -6.603
66 2HB TRP 9 HB1 TRP 9 23.900 2.371 -6.480
67 HD1 TRP 9 HD1 TRP 9 20.758 2.467 -8.806
68 HE1 TRP 9 HE1 TRP 9 21.588 1.730 -11.060
69 HE3 TRP 9 HE3 TRP 9 25.496 1.190 -7.679
70 HZ2 TRP 9 HZ2 TRP 9 23.951 0.706 -12.351
71 HZ3 TRP 9 HZ3 TRP 9 27.037 0.332 -9.409
72 HH2 TRP 9 HH2 TRP 9 26.266 0.092 -11.747
73 H GLY 10 HN GLY 10 22.541 -1.510 -5.844
74 1HA GLY 10 HA2 GLY 10 25.026 -2.293 -5.387
75 2HA GLY 10 HA1 GLY 10 24.781 -1.415 -3.874
76 H ALA 11 HN ALA 11 21.884 -2.178 -3.891
77 HA ALA 11 HA ALA 11 22.248 -4.757 -2.508
78 1HB ALA 11 HB1 ALA 11 19.837 -4.497 -1.968
79 2HB ALA 11 HB2 ALA 11 19.755 -3.103 -3.078
80 3HB ALA 11 HB3 ALA 11 20.763 -3.008 -1.602
81 H VAL 12 HN VAL 12 20.871 -6.641 -3.026
82 HA VAL 12 HA VAL 12 20.860 -7.129 -5.930
83 HB VAL 12 HB VAL 12 20.028 -8.987 -3.726
84 1HG1 VAL 12 HG1 VAL 12 20.809 -10.777 -5.229
85 2HG1 VAL 12 HG1 VAL 12 21.156 -9.533 -6.470
86 3HG1 VAL 12 HG1 VAL 12 19.476 -9.823 -5.925
87 1HG2 VAL 12 HG2 VAL 12 22.357 -9.858 -3.713
88 2HG2 VAL 12 HG2 VAL 12 22.261 -8.160 -3.175
89 3HG2 VAL 12 HG2 VAL 12 22.808 -8.534 -4.835
90 H ASN 13 HN ASN 13 19.019 -5.217 -5.398
91 HA ASN 13 HA ASN 13 16.620 -6.400 -6.514
92 1HB ASN 13 HB2 ASN 13 15.114 -5.718 -4.507
93 2HB ASN 13 HB1 ASN 13 16.160 -7.106 -4.245
94 1HD2 ASN 13 HD2 ASN 13 15.937 -6.441 -1.852
95 2HD2 ASN 13 HD2 ASN 13 16.985 -5.218 -1.311
96 H TYR 14 HN TYR 14 18.524 -3.987 -6.819
97 HA TYR 14 HA TYR 14 16.840 -1.666 -6.387
98 1HB TYR 14 HB2 TYR 14 19.372 -1.586 -6.618
99 2HB TYR 14 HB1 TYR 14 19.155 -1.940 -8.328
100 HD1 TYR 14 HD1 TYR 14 18.789 0.663 -5.737
101 HD2 TYR 14 HD2 TYR 14 18.097 -0.236 -9.853
102 HE1 TYR 14 HE1 TYR 14 18.414 3.030 -6.219
103 HE2 TYR 14 HE2 TYR 14 17.712 2.141 -10.275
104 HH TYR 14 HH TYR 14 17.444 4.432 -7.683
105 H THR 15 HN THR 15 15.658 -0.513 -7.930
106 HA THR 15 HA THR 15 14.861 -2.113 -10.328
107 HB THR 15 HB THR 15 12.924 -0.030 -9.958
108 HG1 THR 15 HG1 THR 15 14.043 -0.376 -7.596
109 1HG2 THR 15 HG2 THR 15 11.445 -1.804 -9.271
110 2HG2 THR 15 HG2 THR 15 12.825 -2.901 -8.942
111 3HG2 THR 15 HG2 THR 15 12.443 -2.414 -10.621
112 H SER 16 HN SER 16 15.762 -1.429 -12.144
113 HA SER 16 HA SER 16 16.897 1.200 -12.498
114 1HB SER 16 HB2 SER 16 17.537 -0.906 -13.883
115 2HB SER 16 HB1 SER 16 16.021 -0.677 -14.773
116 HG SER 16 HG SER 16 18.322 0.697 -15.043
117 H ASP 17 HN ASP 17 13.931 -0.250 -13.791
118 HA ASP 17 HA ASP 17 12.827 2.509 -14.242
119 1HB ASP 17 HB2 ASP 17 13.269 0.960 -16.246
120 2HB ASP 17 HB1 ASP 17 11.982 -0.050 -15.596
121 H CYS 18 HN CYS 18 12.098 2.545 -12.095
122 HA CYS 18 HA CYS 18 10.673 0.734 -10.553
123 1HB CYS 18 HB2 CYS 18 11.378 3.185 -10.171
124 2HB CYS 18 HB1 CYS 18 9.786 3.517 -10.752
125 H ASN 19 HN ASN 19 9.020 3.106 -12.665
126 HA ASN 19 HA ASN 19 6.470 1.813 -12.347
127 1HB ASN 19 HB2 ASN 19 6.721 4.219 -13.133
128 2HB ASN 19 HB1 ASN 19 7.295 3.615 -14.677
129 1HD2 ASN 19 HD2 ASN 19 4.922 1.308 -13.776
130 2HD2 ASN 19 HD2 ASN 19 3.623 2.118 -14.505
131 H GLY 20 HN GLY 20 8.908 1.580 -14.960
132 1HA GLY 20 HA2 GLY 20 7.490 0.001 -16.788
133 2HA GLY 20 HA1 GLY 20 9.233 -0.130 -16.507
134 H GLU 21 HN GLU 21 9.423 -1.045 -14.005
135 HA GLU 21 HA GLU 21 8.808 -3.835 -14.242
136 1HB GLU 21 HB2 GLU 21 10.653 -2.622 -12.805
137 2HB GLU 21 HB1 GLU 21 9.423 -2.450 -11.580
138 1HG GLU 21 HG2 GLU 21 10.292 -4.582 -10.939
139 2HG GLU 21 HG1 GLU 21 9.149 -5.142 -12.177
140 H CYS 22 HN CYS 22 7.455 -1.370 -12.019
141 HA CYS 22 HA CYS 22 5.541 -2.918 -10.773
142 1HB CYS 22 HB2 CYS 22 6.333 -0.216 -11.070
143 2HB CYS 22 HB1 CYS 22 4.671 -0.252 -11.337
144 H LYS 23 HN LYS 23 5.234 -1.158 -13.809
145 HA LYS 23 HA LYS 23 2.513 -1.758 -14.385
146 1HB LYS 23 HB2 LYS 23 4.370 -0.162 -15.632
147 2HB LYS 23 HB1 LYS 23 4.632 -1.588 -16.587
148 1HG LYS 23 HG2 LYS 23 3.061 -0.266 -17.825
149 2HG LYS 23 HG1 LYS 23 2.138 -1.590 -17.136
150 1HD LYS 23 HD2 LYS 23 1.318 -0.116 -15.282
151 2HD LYS 23 HD1 LYS 23 2.392 1.168 -15.793
152 1HE LYS 23 HE2 LYS 23 0.100 1.637 -16.512
153 2HE LYS 23 HE1 LYS 23 1.151 1.436 -17.903
154 1HZ LYS 23 HZ1 LYS 23 0.123 -1.087 -17.184
155 2HZ LYS 23 HZ2 LYS 23 -0.155 -0.207 -18.617
156 3HZ LYS 23 HZ3 LYS 23 -1.169 0.006 -17.280
157 H ARG 24 HN ARG 24 5.573 -3.395 -15.219
158 HA ARG 24 HA ARG 24 4.455 -5.595 -16.608
159 1HB ARG 24 HB2 ARG 24 6.955 -4.674 -15.695
160 2HB ARG 24 HB1 ARG 24 6.759 -6.181 -14.864
161 1HG ARG 24 HG2 ARG 24 6.372 -7.322 -17.051
162 2HG ARG 24 HG1 ARG 24 6.525 -5.775 -17.878
163 1HD ARG 24 HD2 ARG 24 8.703 -7.050 -16.120
164 2HD ARG 24 HD1 ARG 24 8.715 -7.057 -17.881
165 HE ARG 24 HE ARG 24 8.557 -4.403 -16.543
166 1HH1 ARG 24 HH1 ARG 24 9.341 -4.910 -19.414
167 2HH1 ARG 24 HH1 ARG 24 11.048 -4.661 -19.369
168 1HH2 ARG 24 HH2 ARG 24 11.076 -4.913 -15.826
169 2HH2 ARG 24 HH2 ARG 24 12.105 -4.671 -17.186
170 H ARG 25 HN ARG 25 4.493 -4.791 -13.235
171 HA ARG 25 HA ARG 25 3.699 -7.523 -12.404
172 1HB ARG 25 HB2 ARG 25 3.635 -5.087 -10.620
173 2HB ARG 25 HB1 ARG 25 3.862 -6.761 -10.146
174 1HG ARG 25 HG2 ARG 25 6.074 -6.592 -11.617
175 2HG ARG 25 HG1 ARG 25 5.668 -4.887 -11.523
176 1HD ARG 25 HD2 ARG 25 6.154 -4.562 -9.367
177 2HD ARG 25 HD1 ARG 25 5.922 -6.243 -8.898
178 HE ARG 25 HE ARG 25 8.189 -5.452 -10.716
179 1HH1 ARG 25 HH1 ARG 25 7.192 -8.013 -9.172
180 2HH1 ARG 25 HH1 ARG 25 8.502 -8.264 -8.070
181 1HH2 ARG 25 HH2 ARG 25 9.812 -5.062 -8.892
182 2HH2 ARG 25 HH2 ARG 25 10.107 -6.392 -7.864
183 H GLY 26 HN GLY 26 2.061 -5.306 -13.983
184 1HA GLY 26 HA2 GLY 26 -0.281 -5.210 -14.302
185 2HA GLY 26 HA1 GLY 26 -0.496 -6.258 -12.892
186 H TYR 27 HN TYR 27 1.607 -3.761 -12.031
187 HA TYR 27 HA TYR 27 -0.537 -2.484 -10.425
188 1HB TYR 27 HB2 TYR 27 2.446 -1.911 -10.706
189 2HB TYR 27 HB1 TYR 27 1.388 -1.047 -9.622
190 HD1 TYR 27 HD1 TYR 27 -0.382 -3.250 -8.628
191 HD2 TYR 27 HD2 TYR 27 3.829 -3.195 -9.239
192 HE1 TYR 27 HE1 TYR 27 -0.129 -4.938 -6.927
193 HE2 TYR 27 HE2 TYR 27 4.063 -4.924 -7.509
194 HH TYR 27 HH TYR 27 2.670 -6.698 -6.425
195 H LYS 28 HN LYS 28 -0.196 0.120 -10.395
196 HA LYS 28 HA LYS 28 -0.880 0.967 -13.177
197 1HB LYS 28 HB2 LYS 28 -1.864 2.980 -12.112
198 2HB LYS 28 HB1 LYS 28 -2.612 1.510 -11.527
199 1HG LYS 28 HG2 LYS 28 -0.188 2.477 -9.952
200 2HG LYS 28 HG1 LYS 28 -1.559 3.521 -9.913
201 1HD LYS 28 HD2 LYS 28 -2.072 0.578 -9.473
202 2HD LYS 28 HD1 LYS 28 -1.214 1.453 -8.214
203 1HE LYS 28 HE2 LYS 28 -2.993 3.183 -8.171
204 2HE LYS 28 HE1 LYS 28 -3.832 2.398 -9.495
205 1HZ LYS 28 HZ1 LYS 28 -3.476 0.527 -7.336
206 2HZ LYS 28 HZ2 LYS 28 -4.911 1.180 -7.960
207 3HZ LYS 28 HZ3 LYS 28 -4.001 1.922 -6.745
208 H GLY 29 HN GLY 29 1.514 1.451 -10.687
209 1HA GLY 29 HA2 GLY 29 3.446 2.598 -12.241
210 2HA GLY 29 HA1 GLY 29 2.481 3.993 -11.733
211 H GLY 30 HN GLY 30 5.212 3.625 -10.920
212 1HA GLY 30 HA2 GLY 30 4.851 3.634 -8.034
213 2HA GLY 30 HA1 GLY 30 5.944 2.391 -8.686
214 H HIS 31 HN HIS 31 7.350 3.773 -7.218
215 HA HIS 31 HA HIS 31 9.116 5.403 -8.885
216 1HB HIS 31 HB2 HIS 31 8.877 7.475 -7.258
217 2HB HIS 31 HB1 HIS 31 7.585 7.246 -8.430
218 HD1 HIS 31 HD1 HIS 31 5.310 6.356 -7.458
219 HD2 HIS 31 HD2 HIS 31 8.162 6.807 -4.459
220 HE1 HIS 31 HE1 HIS 31 4.105 6.156 -5.315
221 HE2 HIS 31 HE2 HIS 31 5.820 6.424 -3.567
222 H CYS 32 HN CYS 32 10.790 6.556 -7.352
223 HA CYS 32 HA CYS 32 11.738 4.481 -5.494
224 1HB CYS 32 HB2 CYS 32 13.417 5.744 -6.836
225 2HB CYS 32 HB1 CYS 32 12.855 7.237 -6.124
226 H GLY 33 HN GLY 33 12.026 4.950 -3.218
227 1HA GLY 33 HA2 GLY 33 9.840 6.119 -1.910
228 2HA GLY 33 HA1 GLY 33 11.360 5.794 -1.130
229 H SER 34 HN SER 34 12.731 7.561 -0.726
230 HA SER 34 HA SER 34 12.323 10.143 -2.000
231 1HB SER 34 HB2 SER 34 11.269 9.773 0.835
232 2HB SER 34 HB1 SER 34 11.786 11.354 0.256
233 HG SER 34 HG SER 34 10.112 10.002 -1.503
234 H PHE 35 HN PHE 35 13.331 9.492 1.377
235 HA PHE 35 HA PHE 35 15.629 11.183 1.008
236 1HB PHE 35 HB2 PHE 35 14.427 10.352 3.211
237 2HB PHE 35 HB1 PHE 35 15.605 9.047 3.121
238 HD1 PHE 35 HD1 PHE 35 18.126 9.709 2.990
239 HD2 PHE 35 HD2 PHE 35 15.045 12.470 4.026
240 HE1 PHE 35 HE1 PHE 35 19.792 11.220 3.964
241 HE2 PHE 35 HE2 PHE 35 16.717 13.973 4.998
242 HZ PHE 35 HZ PHE 35 19.095 13.353 4.971
243 H ALA 36 HN ALA 36 17.449 10.804 0.257
244 HA ALA 36 HA ALA 36 19.061 9.764 -1.150
245 1HB ALA 36 HB1 ALA 36 19.937 9.623 1.123
246 2HB ALA 36 HB2 ALA 36 20.390 8.178 0.170
247 3HB ALA 36 HB3 ALA 36 19.066 8.072 1.360
248 H ASN 37 HN ASN 37 16.336 8.580 -1.626
249 HA ASN 37 HA ASN 37 15.401 6.663 -2.698
250 1HB ASN 37 HB2 ASN 37 18.257 6.683 -3.704
251 2HB ASN 37 HB1 ASN 37 17.044 5.613 -4.335
252 1HD2 ASN 37 HD2 ASN 37 16.539 6.448 -6.324
253 2HD2 ASN 37 HD2 ASN 37 16.146 8.074 -6.656
254 H VAL 38 HN VAL 38 14.909 5.325 -0.950
255 HA VAL 38 HA VAL 38 16.971 3.286 -0.220
256 HB VAL 38 HB VAL 38 15.506 2.864 1.813
257 1HG1 VAL 38 HG1 VAL 38 16.206 4.927 2.937
258 2HG1 VAL 38 HG1 VAL 38 16.477 5.703 1.349
259 3HG1 VAL 38 HG1 VAL 38 17.482 4.310 1.850
260 1HG2 VAL 38 HG2 VAL 38 13.878 4.565 2.434
261 2HG2 VAL 38 HG2 VAL 38 13.389 3.743 0.930
262 3HG2 VAL 38 HG2 VAL 38 14.101 5.389 0.866
263 H ASN 39 HN ASN 39 13.569 3.540 -1.232
264 HA ASN 39 HA ASN 39 13.778 0.854 -2.365
265 1HB ASN 39 HB2 ASN 39 12.238 1.413 0.110
266 2HB ASN 39 HB1 ASN 39 11.300 0.583 -1.125
267 1HD2 ASN 39 HD2 ASN 39 12.191 -1.509 -1.923
268 2HD2 ASN 39 HD2 ASN 39 13.247 -2.360 -0.895
269 H CYS 40 HN CYS 40 12.094 0.329 -3.921
270 HA CYS 40 HA CYS 40 10.827 2.803 -4.951
271 1HB CYS 40 HB2 CYS 40 12.225 0.661 -6.253
272 2HB CYS 40 HB1 CYS 40 10.553 0.498 -6.725
273 H TRP 41 HN TRP 41 8.843 3.067 -4.447
274 HA TRP 41 HA TRP 41 7.179 0.701 -3.691
275 1HB TRP 41 HB2 TRP 41 6.694 3.610 -2.948
276 2HB TRP 41 HB1 TRP 41 5.853 2.210 -2.300
277 HD1 TRP 41 HD1 TRP 41 9.416 3.820 -2.362
278 HE1 TRP 41 HE1 TRP 41 10.620 2.868 -0.432
279 HE3 TRP 41 HE3 TRP 41 5.971 0.532 -0.808
280 HZ2 TRP 41 HZ2 TRP 41 10.219 0.826 1.700
281 HZ3 TRP 41 HZ3 TRP 41 6.337 -0.927 1.145
282 HH2 TRP 41 HH2 TRP 41 8.478 -0.777 2.413
283 H CYS 42 HN CYS 42 5.149 0.454 -4.590
284 HA CYS 42 HA CYS 42 4.611 1.904 -7.093
285 1HB CYS 42 HB2 CYS 42 4.393 -0.748 -6.444
286 2HB CYS 42 HB1 CYS 42 2.756 -0.214 -6.292
287 H GLU 43 HN GLU 43 2.266 2.336 -7.471
288 HA GLU 43 HA GLU 43 1.092 3.673 -5.102
289 1HB GLU 43 HB2 GLU 43 0.860 4.051 -8.099
290 2HB GLU 43 HB1 GLU 43 0.030 5.005 -6.911
291 1HG GLU 43 HG2 GLU 43 1.966 6.121 -6.255
292 2HG GLU 43 HG1 GLU 43 2.986 4.713 -6.500
293 H THR 44 HN THR 44 0.638 0.824 -5.477
294 HA THR 44 HA THR 44 -1.770 0.123 -6.686
295 HB THR 44 HB THR 44 -1.824 -1.617 -4.720
296 HG1 THR 44 HG1 THR 44 -0.657 0.229 -3.701
297 1HG2 THR 44 HG2 THR 44 0.818 -1.189 -6.227
298 2HG2 THR 44 HG2 THR 44 -0.638 -1.967 -6.921
299 3HG2 THR 44 HG2 THR 44 0.213 -2.717 -5.533
Start of MODEL 5
1 1H ASP 1 HT1 ASP 1 -0.728 0.909 -1.940
2 2H ASP 1 HT2 ASP 1 -0.102 1.795 -0.609
3 3H ASP 1 HT3 ASP 1 0.063 0.126 -0.638
4 HA ASP 1 HA ASP 1 1.238 1.167 -2.953
5 1HB ASP 1 HB2 ASP 1 3.098 2.398 -1.780
6 2HB ASP 1 HB1 ASP 1 1.573 3.251 -1.584
7 H LYS 2 HN LYS 2 2.765 -0.268 -3.422
8 HA LYS 2 HA LYS 2 3.634 -2.171 -1.250
9 1HB LYS 2 HB2 LYS 2 1.883 -3.113 -2.809
10 2HB LYS 2 HB1 LYS 2 3.002 -2.901 -4.136
11 1HG LYS 2 HG2 LYS 2 4.604 -4.441 -3.178
12 2HG LYS 2 HG1 LYS 2 3.726 -4.547 -1.671
13 1HD LYS 2 HD2 LYS 2 1.726 -5.397 -3.289
14 2HD LYS 2 HD1 LYS 2 3.012 -5.604 -4.448
15 1HE LYS 2 HE2 LYS 2 2.535 -7.698 -3.192
16 2HE LYS 2 HE1 LYS 2 4.200 -7.163 -2.986
17 1HZ LYS 2 HZ1 LYS 2 2.639 -5.911 -1.005
18 2HZ LYS 2 HZ2 LYS 2 3.827 -7.110 -0.767
19 3HZ LYS 2 HZ3 LYS 2 2.221 -7.552 -1.016
20 H LEU 3 HN LEU 3 5.778 -2.888 -1.312
21 HA LEU 3 HA LEU 3 7.586 -1.296 -3.059
22 1HB LEU 3 HB2 LEU 3 7.990 -1.501 -0.542
23 2HB LEU 3 HB1 LEU 3 8.275 -3.211 -0.783
24 HG LEU 3 HG LEU 3 10.049 -2.347 -2.619
25 1HD1 LEU 3 HD1 LEU 3 9.316 -0.003 -2.397
26 2HD1 LEU 3 HD1 LEU 3 11.043 -0.246 -1.999
27 3HD1 LEU 3 HD1 LEU 3 9.827 -0.048 -0.692
28 1HD2 LEU 3 HD2 LEU 3 10.613 -3.660 -0.648
29 2HD2 LEU 3 HD2 LEU 3 10.600 -2.162 0.332
30 3HD2 LEU 3 HD2 LEU 3 11.795 -2.360 -0.984
31 H ILE 4 HN ILE 4 8.326 -2.157 -4.870
32 HA ILE 4 HA ILE 4 8.349 -5.162 -5.199
33 HB ILE 4 HB ILE 4 8.244 -4.765 -7.539
34 1HG1 ILE 4 HG1 ILE 4 7.765 -1.939 -7.791
35 2HG1 ILE 4 HG1 ILE 4 9.227 -2.101 -6.853
36 1HG2 ILE 4 HG2 ILE 4 6.078 -3.596 -7.723
37 2HG2 ILE 4 HG2 ILE 4 6.265 -3.015 -6.052
38 3HG2 ILE 4 HG2 ILE 4 6.113 -4.771 -6.363
39 1HD1 ILE 4 HD1 ILE 4 9.738 -2.118 -9.213
40 2HD1 ILE 4 HD2 ILE 4 8.615 -3.475 -9.471
41 3HD1 ILE 4 HD3 ILE 4 10.115 -3.715 -8.505
42 H GLY 5 HN GLY 5 10.460 -2.624 -4.571
43 1HA GLY 5 HA2 GLY 5 12.758 -4.243 -4.766
44 2HA GLY 5 HA1 GLY 5 12.702 -3.252 -6.212
45 H SER 6 HN SER 6 14.759 -2.600 -5.008
46 HA SER 6 HA SER 6 14.345 -0.445 -2.995
47 1HB SER 6 HB2 SER 6 15.881 -2.347 -2.230
48 2HB SER 6 HB1 SER 6 16.852 -2.099 -3.662
49 HG SER 6 HG SER 6 16.347 -0.112 -1.709
50 H CYS 7 HN CYS 7 16.327 1.173 -3.185
51 HA CYS 7 HA CYS 7 16.646 1.951 -6.052
52 1HB CYS 7 HB2 CYS 7 16.154 3.594 -3.678
53 2HB CYS 7 HB1 CYS 7 16.406 4.245 -5.261
54 H VAL 8 HN VAL 8 18.436 0.444 -4.189
55 HA VAL 8 HA VAL 8 20.716 2.370 -3.948
56 HB VAL 8 HB VAL 8 20.223 -0.210 -2.419
57 1HG1 VAL 8 HG1 VAL 8 22.604 0.279 -2.644
58 2HG1 VAL 8 HG1 VAL 8 22.052 0.531 -0.966
59 3HG1 VAL 8 HG1 VAL 8 22.325 1.939 -2.036
60 1HG2 VAL 8 HG2 VAL 8 19.962 2.682 -1.537
61 2HG2 VAL 8 HG2 VAL 8 19.825 1.239 -0.479
62 3HG2 VAL 8 HG2 VAL 8 18.637 1.507 -1.785
63 H TRP 9 HN TRP 9 21.517 2.075 -5.964
64 HA TRP 9 HA TRP 9 21.965 -0.259 -7.441
65 1HB TRP 9 HB2 TRP 9 22.699 2.192 -8.125
66 2HB TRP 9 HB1 TRP 9 24.227 1.787 -7.332
67 HD1 TRP 9 HD1 TRP 9 22.007 0.854 -10.344
68 HE1 TRP 9 HE1 TRP 9 23.356 -0.743 -11.741
69 HE3 TRP 9 HE3 TRP 9 25.964 0.085 -7.323
70 HZ2 TRP 9 HZ2 TRP 9 25.810 -2.237 -11.684
71 HZ3 TRP 9 HZ3 TRP 9 27.806 -1.423 -7.980
72 HH2 TRP 9 HH2 TRP 9 27.729 -2.590 -10.160
73 H GLY 10 HN GLY 10 22.991 -2.098 -6.986
74 1HA GLY 10 HA2 GLY 10 25.235 -3.124 -6.434
75 2HA GLY 10 HA1 GLY 10 25.250 -2.085 -5.002
76 H ALA 11 HN ALA 11 22.359 -2.373 -4.519
77 HA ALA 11 HA ALA 11 22.485 -4.838 -2.963
78 1HB ALA 11 HB1 ALA 11 20.154 -4.231 -2.329
79 2HB ALA 11 HB2 ALA 11 20.160 -2.976 -3.613
80 3HB ALA 11 HB3 ALA 11 21.232 -2.810 -2.197
81 H VAL 12 HN VAL 12 20.973 -6.653 -3.277
82 HA VAL 12 HA VAL 12 20.618 -7.214 -6.145
83 HB VAL 12 HB VAL 12 21.627 -8.797 -4.530
84 1HG1 VAL 12 HG1 VAL 12 18.866 -8.977 -3.320
85 2HG1 VAL 12 HG1 VAL 12 20.340 -8.326 -2.540
86 3HG1 VAL 12 HG1 VAL 12 20.240 -10.061 -2.949
87 1HG2 VAL 12 HG2 VAL 12 20.700 -9.704 -6.542
88 2HG2 VAL 12 HG2 VAL 12 19.094 -9.875 -5.768
89 3HG2 VAL 12 HG2 VAL 12 20.474 -10.844 -5.183
90 H ASN 13 HN ASN 13 19.049 -5.184 -5.492
91 HA ASN 13 HA ASN 13 16.376 -6.198 -6.159
92 1HB ASN 13 HB2 ASN 13 16.982 -5.966 -3.432
93 2HB ASN 13 HB1 ASN 13 16.126 -4.477 -3.788
94 1HD2 ASN 13 HD2 ASN 13 15.555 -7.545 -2.758
95 2HD2 ASN 13 HD2 ASN 13 13.969 -7.709 -3.354
96 H TYR 14 HN TYR 14 18.575 -3.959 -6.870
97 HA TYR 14 HA TYR 14 16.981 -1.531 -6.685
98 1HB TYR 14 HB2 TYR 14 19.496 -1.510 -6.933
99 2HB TYR 14 HB1 TYR 14 19.272 -2.212 -8.533
100 HD1 TYR 14 HD1 TYR 14 18.203 0.754 -6.568
101 HD2 TYR 14 HD2 TYR 14 19.133 -0.772 -10.401
102 HE1 TYR 14 HE1 TYR 14 17.928 3.032 -7.481
103 HE2 TYR 14 HE2 TYR 14 18.870 1.473 -11.356
104 HH TYR 14 HH TYR 14 17.343 3.941 -9.912
105 H THR 15 HN THR 15 15.647 -0.623 -8.226
106 HA THR 15 HA THR 15 14.829 -2.405 -10.438
107 HB THR 15 HB THR 15 12.802 -0.847 -10.382
108 HG1 THR 15 HG1 THR 15 14.096 0.714 -9.313
109 1HG2 THR 15 HG2 THR 15 11.873 -1.762 -8.274
110 2HG2 THR 15 HG2 THR 15 13.531 -2.181 -7.755
111 3HG2 THR 15 HG2 THR 15 12.783 -3.057 -9.121
112 H SER 16 HN SER 16 16.060 -1.869 -12.198
113 HA SER 16 HA SER 16 17.107 0.661 -12.884
114 1HB SER 16 HB2 SER 16 17.086 -1.868 -14.132
115 2HB SER 16 HB1 SER 16 16.150 -0.879 -15.259
116 HG SER 16 HG SER 16 17.905 0.259 -15.656
117 H ASP 17 HN ASP 17 13.875 -0.571 -13.237
118 HA ASP 17 HA ASP 17 12.946 2.155 -13.922
119 1HB ASP 17 HB2 ASP 17 13.119 0.681 -16.052
120 2HB ASP 17 HB1 ASP 17 11.758 -0.213 -15.378
121 H CYS 18 HN CYS 18 12.371 2.029 -11.703
122 HA CYS 18 HA CYS 18 10.791 0.291 -10.255
123 1HB CYS 18 HB2 CYS 18 11.745 2.401 -9.466
124 2HB CYS 18 HB1 CYS 18 10.465 3.216 -10.330
125 H ASN 19 HN ASN 19 9.376 2.910 -12.232
126 HA ASN 19 HA ASN 19 6.702 1.869 -11.947
127 1HB ASN 19 HB2 ASN 19 7.234 4.302 -12.574
128 2HB ASN 19 HB1 ASN 19 7.708 3.722 -14.157
129 1HD2 ASN 19 HD2 ASN 19 5.120 1.677 -13.319
130 2HD2 ASN 19 HD2 ASN 19 3.885 2.652 -13.952
131 H GLY 20 HN GLY 20 9.170 1.553 -14.447
132 1HA GLY 20 HA2 GLY 20 7.701 0.293 -16.499
133 2HA GLY 20 HA1 GLY 20 9.405 -0.048 -16.169
134 H GLU 21 HN GLU 21 9.452 -1.192 -13.830
135 HA GLU 21 HA GLU 21 8.523 -3.864 -14.275
136 1HB GLU 21 HB2 GLU 21 10.491 -2.917 -12.808
137 2HB GLU 21 HB1 GLU 21 9.310 -2.637 -11.572
138 1HG GLU 21 HG2 GLU 21 10.543 -4.824 -11.216
139 2HG GLU 21 HG1 GLU 21 8.818 -5.056 -11.437
140 H CYS 22 HN CYS 22 7.381 -1.283 -12.146
141 HA CYS 22 HA CYS 22 5.214 -2.578 -10.916
142 1HB CYS 22 HB2 CYS 22 6.215 -0.167 -10.802
143 2HB CYS 22 HB1 CYS 22 4.959 0.231 -11.922
144 H LYS 23 HN LYS 23 5.189 -0.894 -14.016
145 HA LYS 23 HA LYS 23 2.470 -1.433 -14.707
146 1HB LYS 23 HB2 LYS 23 4.592 -0.025 -15.926
147 2HB LYS 23 HB1 LYS 23 4.518 -1.436 -16.943
148 1HG LYS 23 HG2 LYS 23 3.134 0.346 -17.890
149 2HG LYS 23 HG1 LYS 23 2.118 -1.004 -17.406
150 1HD LYS 23 HD2 LYS 23 1.458 0.240 -15.305
151 2HD LYS 23 HD1 LYS 23 2.670 1.452 -15.632
152 1HE LYS 23 HE2 LYS 23 0.351 2.200 -16.189
153 2HE LYS 23 HE1 LYS 23 1.421 2.250 -17.583
154 1HZ LYS 23 HZ1 LYS 23 0.253 -0.324 -17.434
155 2HZ LYS 23 HZ2 LYS 23 0.062 0.853 -18.638
156 3HZ LYS 23 HZ3 LYS 23 -0.977 0.836 -17.309
157 H ARG 24 HN ARG 24 5.502 -3.238 -15.325
158 HA ARG 24 HA ARG 24 4.306 -5.389 -16.701
159 1HB ARG 24 HB2 ARG 24 6.923 -4.803 -15.952
160 2HB ARG 24 HB1 ARG 24 6.536 -6.033 -14.767
161 1HG ARG 24 HG2 ARG 24 5.539 -7.342 -16.805
162 2HG ARG 24 HG1 ARG 24 6.364 -6.150 -17.779
163 1HD ARG 24 HD2 ARG 24 7.866 -7.821 -15.715
164 2HD ARG 24 HD1 ARG 24 7.539 -8.505 -17.304
165 HE ARG 24 HE ARG 24 8.749 -6.127 -17.942
166 1HH1 ARG 24 HH2 ARG 24 9.948 -6.111 -15.248
167 2HH1 ARG 24 HH2 ARG 24 11.406 -6.926 -15.371
168 1HH2 ARG 24 HH1 ARG 24 10.315 -8.361 -18.512
169 2HH2 ARG 24 HH1 ARG 24 11.658 -8.346 -17.440
170 H ARG 25 HN ARG 25 4.229 -4.506 -13.346
171 HA ARG 25 HA ARG 25 3.182 -7.166 -12.558
172 1HB ARG 25 HB2 ARG 25 3.340 -4.677 -10.839
173 2HB ARG 25 HB1 ARG 25 3.268 -6.330 -10.278
174 1HG ARG 25 HG2 ARG 25 5.627 -6.302 -11.849
175 2HG ARG 25 HG1 ARG 25 5.513 -4.672 -11.227
176 1HD ARG 25 HD2 ARG 25 5.593 -5.272 -8.972
177 2HD ARG 25 HD1 ARG 25 5.243 -6.970 -9.266
178 HE ARG 25 HE ARG 25 7.827 -5.647 -10.067
179 1HH1 ARG 25 HH2 ARG 25 6.370 -8.434 -10.544
180 2HH1 ARG 25 HH2 ARG 25 7.470 -9.510 -9.770
181 1HH2 ARG 25 HH1 ARG 25 9.216 -6.799 -8.286
182 2HH2 ARG 25 HH1 ARG 25 9.184 -8.509 -8.433
183 H GLY 26 HN GLY 26 1.803 -4.900 -14.275
184 1HA GLY 26 HA2 GLY 26 -0.426 -4.298 -14.632
185 2HA GLY 26 HA1 GLY 26 -0.870 -5.638 -13.556
186 H TYR 27 HN TYR 27 1.354 -3.263 -12.300
187 HA TYR 27 HA TYR 27 -0.741 -2.450 -10.342
188 1HB TYR 27 HB2 TYR 27 2.229 -1.791 -10.544
189 2HB TYR 27 HB1 TYR 27 1.201 -1.273 -9.225
190 HD1 TYR 27 HD1 TYR 27 3.429 -2.611 -8.332
191 HD2 TYR 27 HD2 TYR 27 -0.049 -4.489 -9.917
192 HE1 TYR 27 HE1 TYR 27 3.961 -4.660 -7.124
193 HE2 TYR 27 HE2 TYR 27 0.495 -6.514 -8.728
194 HH TYR 27 HH TYR 27 2.177 -7.625 -7.527
195 H LYS 28 HN LYS 28 -0.987 -0.156 -9.796
196 HA LYS 28 HA LYS 28 -1.853 1.405 -12.010
197 1HB LYS 28 HB2 LYS 28 -1.009 2.419 -9.299
198 2HB LYS 28 HB1 LYS 28 -2.104 3.224 -10.424
199 1HG LYS 28 HG2 LYS 28 -3.898 1.787 -9.896
200 2HG LYS 28 HG1 LYS 28 -2.867 0.480 -9.382
201 1HD LYS 28 HD2 LYS 28 -3.906 1.322 -7.403
202 2HD LYS 28 HD1 LYS 28 -2.260 1.781 -7.276
203 1HE LYS 28 HE2 LYS 28 -4.589 3.571 -8.112
204 2HE LYS 28 HE1 LYS 28 -3.726 3.640 -6.587
205 1HZ LYS 28 HZ1 LYS 28 -2.214 5.021 -7.491
206 2HZ LYS 28 HZ2 LYS 28 -3.132 5.073 -8.912
207 3HZ LYS 28 HZ3 LYS 28 -1.863 3.969 -8.688
208 H GLY 29 HN GLY 29 1.142 1.343 -10.226
209 1HA GLY 29 HA2 GLY 29 2.935 2.152 -12.089
210 2HA GLY 29 HA1 GLY 29 2.254 3.708 -11.586
211 H GLY 30 HN GLY 30 5.024 3.017 -11.087
212 1HA GLY 30 HA2 GLY 30 5.019 3.172 -8.162
213 2HA GLY 30 HA1 GLY 30 5.941 1.850 -8.897
214 H HIS 31 HN HIS 31 7.204 3.647 -7.410
215 HA HIS 31 HA HIS 31 9.276 4.690 -9.089
216 1HB HIS 31 HB2 HIS 31 8.815 7.213 -8.245
217 2HB HIS 31 HB1 HIS 31 7.961 6.616 -9.666
218 HD1 HIS 31 HD1 HIS 31 5.471 5.882 -9.235
219 HD2 HIS 31 HD2 HIS 31 7.247 7.504 -5.860
220 HE1 HIS 31 HE1 HIS 31 3.619 6.280 -7.601
221 HE2 HIS 31 HE2 HIS 31 4.733 7.244 -5.601
222 H CYS 32 HN CYS 32 10.833 6.102 -7.699
223 HA CYS 32 HA CYS 32 10.936 4.811 -5.048
224 1HB CYS 32 HB2 CYS 32 12.981 5.305 -6.655
225 2HB CYS 32 HB1 CYS 32 12.912 6.926 -6.003
226 H GLY 33 HN GLY 33 11.480 6.349 -3.177
227 1HA GLY 33 HA2 GLY 33 10.689 9.113 -3.207
228 2HA GLY 33 HA1 GLY 33 9.269 8.160 -2.801
229 H SER 34 HN SER 34 12.766 8.071 -1.802
230 HA SER 34 HA SER 34 11.858 8.332 0.976
231 1HB SER 34 HB2 SER 34 13.511 6.011 -0.204
232 2HB SER 34 HB1 SER 34 13.139 6.191 1.519
233 HG SER 34 HG SER 34 10.847 6.513 0.332
234 H PHE 35 HN PHE 35 14.620 7.693 1.780
235 HA PHE 35 HA PHE 35 15.820 10.317 1.062
236 1HB PHE 35 HB2 PHE 35 15.714 9.550 3.495
237 2HB PHE 35 HB1 PHE 35 16.870 8.288 3.059
238 HD1 PHE 35 HD1 PHE 35 19.178 8.896 2.368
239 HD2 PHE 35 HD2 PHE 35 16.397 11.871 3.610
240 HE1 PHE 35 HE1 PHE 35 21.008 10.512 2.598
241 HE2 PHE 35 HE2 PHE 35 18.229 13.487 3.840
242 HZ PHE 35 HZ PHE 35 20.540 12.812 3.332
243 H ALA 36 HN ALA 36 17.673 10.500 -0.033
244 HA ALA 36 HA ALA 36 19.199 9.931 -1.763
245 1HB ALA 36 HB1 ALA 36 20.920 8.375 -0.963
246 2HB ALA 36 HB2 ALA 36 19.833 7.876 0.361
247 3HB ALA 36 HB3 ALA 36 20.463 9.556 0.297
248 H ASN 37 HN ASN 37 16.594 8.602 -2.024
249 HA ASN 37 HA ASN 37 15.609 6.857 -3.394
250 1HB ASN 37 HB2 ASN 37 18.386 6.646 -4.563
251 2HB ASN 37 HB1 ASN 37 16.857 6.290 -5.348
252 1HD2 ASN 37 HD2 ASN 37 19.158 8.769 -4.932
253 2HD2 ASN 37 HD2 ASN 37 18.174 10.054 -5.449
254 H VAL 38 HN VAL 38 15.275 5.400 -1.632
255 HA VAL 38 HA VAL 38 17.239 3.136 -1.612
256 HB VAL 38 HB VAL 38 16.499 2.845 0.855
257 1HG1 VAL 38 HG1 VAL 38 18.164 4.551 1.596
258 2HG1 VAL 38 HG1 VAL 38 18.062 5.299 -0.029
259 3HG1 VAL 38 HG1 VAL 38 18.709 3.646 0.155
260 1HG2 VAL 38 HG2 VAL 38 15.809 4.889 1.997
261 2HG2 VAL 38 HG2 VAL 38 14.597 4.361 0.793
262 3HG2 VAL 38 HG2 VAL 38 15.697 5.734 0.431
263 H ASN 39 HN ASN 39 13.845 3.992 -1.674
264 HA ASN 39 HA ASN 39 13.189 1.099 -1.868
265 1HB ASN 39 HB2 ASN 39 11.418 3.225 -0.748
266 2HB ASN 39 HB1 ASN 39 11.172 1.512 -0.700
267 1HD2 ASN 39 HD2 ASN 39 12.164 4.117 1.123
268 2HD2 ASN 39 HD2 ASN 39 12.972 3.240 2.354
269 H CYS 40 HN CYS 40 12.137 0.520 -3.759
270 HA CYS 40 HA CYS 40 10.998 2.674 -5.478
271 1HB CYS 40 HB2 CYS 40 12.300 1.168 -6.828
272 2HB CYS 40 HB1 CYS 40 11.752 -0.229 -5.932
273 H TRP 41 HN TRP 41 8.949 3.115 -4.695
274 HA TRP 41 HA TRP 41 7.282 0.904 -3.637
275 1HB TRP 41 HB2 TRP 41 6.624 3.855 -3.838
276 2HB TRP 41 HB1 TRP 41 5.797 2.675 -2.843
277 HD1 TRP 41 HD1 TRP 41 8.909 4.948 -2.871
278 HE1 TRP 41 HE1 TRP 41 9.963 4.650 -0.585
279 HE3 TRP 41 HE3 TRP 41 6.179 1.085 -1.202
280 HZ2 TRP 41 HZ2 TRP 41 9.700 2.935 1.760
281 HZ3 TRP 41 HZ3 TRP 41 6.559 0.087 1.011
282 HH2 TRP 41 HH2 TRP 41 8.324 1.012 2.510
283 H CYS 42 HN CYS 42 5.116 0.552 -4.391
284 HA CYS 42 HA CYS 42 4.559 1.500 -7.157
285 1HB CYS 42 HB2 CYS 42 4.606 -1.208 -6.008
286 2HB CYS 42 HB1 CYS 42 3.258 -0.873 -7.016
287 H GLU 43 HN GLU 43 2.226 1.301 -7.693
288 HA GLU 43 HA GLU 43 0.548 1.877 -5.320
289 1HB GLU 43 HB2 GLU 43 0.566 2.869 -8.165
290 2HB GLU 43 HB1 GLU 43 -0.740 3.148 -7.033
291 1HG GLU 43 HG2 GLU 43 1.195 4.005 -5.439
292 2HG GLU 43 HG1 GLU 43 2.162 4.027 -6.905
293 H THR 44 HN THR 44 -0.549 0.034 -4.846
294 HA THR 44 HA THR 44 -1.873 -1.428 -7.067
295 HB THR 44 HB THR 44 -1.593 -3.447 -5.417
296 HG1 THR 44 HG1 THR 44 -1.351 -1.894 -3.801
297 1HG2 THR 44 HG2 THR 44 0.792 -3.760 -5.813
298 2HG2 THR 44 HG2 THR 44 1.027 -2.006 -6.084
299 3HG2 THR 44 HG2 THR 44 0.111 -2.981 -7.273
Start of MODEL 6
1 1H ASP 1 HT1 ASP 1 -0.760 1.847 -1.997
2 2H ASP 1 HT2 ASP 1 0.142 2.859 -0.949
3 3H ASP 1 HT3 ASP 1 0.059 1.175 -0.641
4 HA ASP 1 HA ASP 1 0.953 1.544 -3.243
5 1HB ASP 1 HB2 ASP 1 2.586 2.981 -1.058
6 2HB ASP 1 HB1 ASP 1 3.058 2.856 -2.745
7 H LYS 2 HN LYS 2 2.915 0.203 -3.457
8 HA LYS 2 HA LYS 2 3.385 -1.600 -1.093
9 1HB LYS 2 HB2 LYS 2 1.811 -2.688 -2.627
10 2HB LYS 2 HB1 LYS 2 2.885 -2.439 -3.986
11 1HG LYS 2 HG2 LYS 2 4.505 -4.031 -3.093
12 2HG LYS 2 HG1 LYS 2 3.634 -4.150 -1.566
13 1HD LYS 2 HD2 LYS 2 1.695 -5.156 -2.769
14 2HD LYS 2 HD1 LYS 2 2.558 -4.992 -4.299
15 1HE LYS 2 HE2 LYS 2 4.346 -6.490 -3.524
16 2HE LYS 2 HE1 LYS 2 3.680 -6.536 -1.902
17 1HZ LYS 2 HZ1 LYS 2 1.682 -7.378 -3.710
18 2HZ LYS 2 HZ2 LYS 2 2.441 -8.275 -2.487
19 3HZ LYS 2 HZ3 LYS 2 3.097 -8.230 -4.059
20 H LEU 3 HN LEU 3 5.401 -2.904 -1.278
21 HA LEU 3 HA LEU 3 7.593 -1.309 -2.565
22 1HB LEU 3 HB2 LEU 3 7.738 -1.644 -0.099
23 2HB LEU 3 HB1 LEU 3 7.626 -3.372 -0.330
24 HG LEU 3 HG LEU 3 9.779 -3.332 -1.620
25 1HD1 LEU 3 HD1 LEU 3 11.198 -1.343 -1.487
26 2HD1 LEU 3 HD1 LEU 3 9.838 -0.433 -0.754
27 3HD1 LEU 3 HD1 LEU 3 9.719 -1.031 -2.432
28 1HD2 LEU 3 HD2 LEU 3 11.242 -2.911 0.291
29 2HD2 LEU 3 HD2 LEU 3 9.776 -3.831 0.752
30 3HD2 LEU 3 HD2 LEU 3 9.898 -2.086 1.129
31 H ILE 4 HN ILE 4 8.176 -2.137 -4.469
32 HA ILE 4 HA ILE 4 8.003 -5.135 -4.826
33 HB ILE 4 HB ILE 4 7.895 -4.683 -7.238
34 1HG1 ILE 4 HG1 ILE 4 7.300 -2.217 -7.893
35 2HG1 ILE 4 HG1 ILE 4 8.241 -1.792 -6.491
36 1HG2 ILE 4 HG2 ILE 4 5.944 -3.043 -5.564
37 2HG2 ILE 4 HG2 ILE 4 5.832 -4.801 -5.898
38 3HG2 ILE 4 HG2 ILE 4 5.642 -3.606 -7.222
39 1HD1 ILE 4 HD1 ILE 4 9.517 -1.834 -8.553
40 2HD1 ILE 4 HD2 ILE 4 9.123 -3.561 -8.795
41 3HD1 ILE 4 HD3 ILE 4 10.158 -3.050 -7.420
42 H GLY 5 HN GLY 5 10.254 -2.581 -4.520
43 1HA GLY 5 HA2 GLY 5 12.447 -4.454 -4.760
44 2HA GLY 5 HA1 GLY 5 12.422 -3.395 -6.152
45 H SER 6 HN SER 6 14.596 -3.028 -4.887
46 HA SER 6 HA SER 6 14.342 -1.080 -2.692
47 1HB SER 6 HB2 SER 6 16.309 -3.107 -3.597
48 2HB SER 6 HB1 SER 6 17.063 -1.577 -3.225
49 HG SER 6 HG SER 6 15.905 -3.371 -1.534
50 H CYS 7 HN CYS 7 16.365 0.597 -2.992
51 HA CYS 7 HA CYS 7 16.260 1.659 -5.797
52 1HB CYS 7 HB2 CYS 7 14.489 2.684 -4.376
53 2HB CYS 7 HB1 CYS 7 15.766 3.272 -3.336
54 H VAL 8 HN VAL 8 18.337 0.323 -4.317
55 HA VAL 8 HA VAL 8 20.403 2.487 -4.208
56 HB VAL 8 HB VAL 8 20.510 -0.134 -2.654
57 1HG1 VAL 8 HG1 VAL 8 22.180 1.076 -1.302
58 2HG1 VAL 8 HG1 VAL 8 21.961 2.511 -2.353
59 3HG1 VAL 8 HG1 VAL 8 22.643 1.001 -3.026
60 1HG2 VAL 8 HG2 VAL 8 18.560 1.114 -1.903
61 2HG2 VAL 8 HG2 VAL 8 19.582 2.567 -1.686
62 3HG2 VAL 8 HG2 VAL 8 19.842 1.117 -0.662
63 H TRP 9 HN TRP 9 21.065 2.241 -6.313
64 HA TRP 9 HA TRP 9 21.506 -0.045 -7.813
65 1HB TRP 9 HB2 TRP 9 22.616 2.706 -7.904
66 2HB TRP 9 HB1 TRP 9 23.773 1.544 -8.498
67 HD1 TRP 9 HD1 TRP 9 21.537 3.772 -10.005
68 HE1 TRP 9 HE1 TRP 9 20.543 2.784 -12.075
69 HE3 TRP 9 HE3 TRP 9 22.539 -1.136 -9.287
70 HZ2 TRP 9 HZ2 TRP 9 20.144 0.247 -13.373
71 HZ3 TRP 9 HZ3 TRP 9 21.845 -2.830 -10.930
72 HH2 TRP 9 HH2 TRP 9 20.648 -2.136 -12.987
73 H GLY 10 HN GLY 10 22.300 -1.808 -6.728
74 1HA GLY 10 HA2 GLY 10 24.956 -2.536 -6.695
75 2HA GLY 10 HA1 GLY 10 24.771 -1.703 -5.150
76 H ALA 11 HN ALA 11 21.976 -2.545 -4.892
77 HA ALA 11 HA ALA 11 22.495 -5.210 -3.716
78 1HB ALA 11 HB1 ALA 11 21.169 -3.509 -2.503
79 2HB ALA 11 HB2 ALA 11 20.181 -4.962 -2.822
80 3HB ALA 11 HB3 ALA 11 19.979 -3.501 -3.840
81 H VAL 12 HN VAL 12 21.049 -7.078 -4.184
82 HA VAL 12 HA VAL 12 20.563 -7.284 -7.086
83 HB VAL 12 HB VAL 12 20.049 -9.393 -5.021
84 1HG1 VAL 12 HG1 VAL 12 20.650 -10.953 -6.825
85 2HG1 VAL 12 HG1 VAL 12 20.878 -9.554 -7.920
86 3HG1 VAL 12 HG1 VAL 12 19.259 -9.925 -7.246
87 1HG2 VAL 12 HG2 VAL 12 22.369 -10.209 -5.380
88 2HG2 VAL 12 HG2 VAL 12 22.330 -8.596 -4.624
89 3HG2 VAL 12 HG2 VAL 12 22.684 -8.749 -6.371
90 H ASN 13 HN ASN 13 18.875 -5.462 -5.950
91 HA ASN 13 HA ASN 13 16.238 -6.606 -6.633
92 1HB ASN 13 HB2 ASN 13 16.639 -5.399 -3.913
93 2HB ASN 13 HB1 ASN 13 15.088 -5.884 -4.561
94 1HD2 ASN 13 HD2 ASN 13 14.485 -8.086 -4.388
95 2HD2 ASN 13 HD2 ASN 13 15.483 -9.230 -3.624
96 H TYR 14 HN TYR 14 18.183 -4.247 -7.312
97 HA TYR 14 HA TYR 14 16.497 -1.931 -6.713
98 1HB TYR 14 HB2 TYR 14 18.907 -1.693 -6.774
99 2HB TYR 14 HB1 TYR 14 18.950 -2.317 -8.411
100 HD1 TYR 14 HD1 TYR 14 18.489 -0.885 -10.331
101 HD2 TYR 14 HD2 TYR 14 18.109 0.598 -6.382
102 HE1 TYR 14 HE1 TYR 14 18.404 1.398 -11.181
103 HE2 TYR 14 HE2 TYR 14 18.007 2.922 -7.197
104 HH TYR 14 HH TYR 14 18.254 4.222 -9.137
105 H THR 15 HN THR 15 15.191 -0.809 -8.195
106 HA THR 15 HA THR 15 14.614 -2.292 -10.714
107 HB THR 15 HB THR 15 12.475 -0.614 -10.392
108 HG1 THR 15 HG1 THR 15 12.262 -1.103 -7.932
109 1HG2 THR 15 HG2 THR 15 11.321 -2.484 -9.303
110 2HG2 THR 15 HG2 THR 15 12.894 -3.177 -8.766
111 3HG2 THR 15 HG2 THR 15 12.451 -3.158 -10.498
112 H SER 16 HN SER 16 15.791 -1.388 -12.386
113 HA SER 16 HA SER 16 16.715 1.223 -12.553
114 1HB SER 16 HB2 SER 16 16.040 -1.015 -14.530
115 2HB SER 16 HB1 SER 16 16.713 0.509 -15.058
116 HG SER 16 HG SER 16 18.216 -1.306 -14.283
117 H ASP 17 HN ASP 17 13.679 -0.171 -13.808
118 HA ASP 17 HA ASP 17 12.601 2.634 -13.929
119 1HB ASP 17 HB2 ASP 17 12.721 1.606 -16.276
120 2HB ASP 17 HB1 ASP 17 11.549 0.410 -15.725
121 H CYS 18 HN CYS 18 11.836 2.426 -11.908
122 HA CYS 18 HA CYS 18 10.467 0.391 -10.599
123 1HB CYS 18 HB2 CYS 18 11.154 2.805 -9.970
124 2HB CYS 18 HB1 CYS 18 9.531 3.152 -10.466
125 H ASN 19 HN ASN 19 8.807 2.995 -12.390
126 HA ASN 19 HA ASN 19 6.250 1.721 -12.290
127 1HB ASN 19 HB2 ASN 19 6.581 4.172 -12.865
128 2HB ASN 19 HB1 ASN 19 7.243 3.678 -14.412
129 1HD2 ASN 19 HD2 ASN 19 4.727 1.426 -13.801
130 2HD2 ASN 19 HD2 ASN 19 3.501 2.299 -14.569
131 H GLY 20 HN GLY 20 8.908 1.487 -14.559
132 1HA GLY 20 HA2 GLY 20 7.602 0.153 -16.712
133 2HA GLY 20 HA1 GLY 20 9.320 -0.015 -16.314
134 H GLU 21 HN GLU 21 9.399 -1.133 -13.978
135 HA GLU 21 HA GLU 21 8.730 -3.896 -14.396
136 1HB GLU 21 HB2 GLU 21 10.584 -2.966 -12.978
137 2HB GLU 21 HB1 GLU 21 9.416 -2.481 -11.788
138 1HG GLU 21 HG2 GLU 21 10.518 -4.698 -11.233
139 2HG GLU 21 HG1 GLU 21 8.770 -4.801 -11.354
140 H CYS 22 HN CYS 22 7.407 -1.528 -12.153
141 HA CYS 22 HA CYS 22 5.366 -2.980 -10.954
142 1HB CYS 22 HB2 CYS 22 6.175 -0.529 -10.698
143 2HB CYS 22 HB1 CYS 22 4.941 -0.148 -11.849
144 H LYS 23 HN LYS 23 5.114 -1.091 -13.935
145 HA LYS 23 HA LYS 23 2.426 -1.837 -14.580
146 1HB LYS 23 HB2 LYS 23 4.249 -0.039 -15.682
147 2HB LYS 23 HB1 LYS 23 4.361 -1.326 -16.847
148 1HG LYS 23 HG2 LYS 23 2.681 0.346 -17.535
149 2HG LYS 23 HG1 LYS 23 1.911 -1.202 -17.219
150 1HD LYS 23 HD2 LYS 23 0.987 -0.400 -15.079
151 2HD LYS 23 HD1 LYS 23 2.094 0.944 -15.015
152 1HE LYS 23 HE2 LYS 23 -0.195 1.678 -15.627
153 2HE LYS 23 HE1 LYS 23 0.923 2.015 -16.934
154 1HZ LYS 23 HZ1 LYS 23 -1.401 0.463 -17.042
155 2HZ LYS 23 HZ2 LYS 23 -0.095 -0.608 -17.224
156 3HZ LYS 23 HZ3 LYS 23 -0.281 0.712 -18.282
157 H ARG 24 HN ARG 24 5.558 -3.228 -15.351
158 HA ARG 24 HA ARG 24 4.796 -5.288 -17.111
159 1HB ARG 24 HB2 ARG 24 7.073 -4.414 -15.687
160 2HB ARG 24 HB1 ARG 24 6.819 -6.005 -15.075
161 1HG ARG 24 HG2 ARG 24 6.969 -6.860 -17.380
162 2HG ARG 24 HG1 ARG 24 7.104 -5.208 -17.991
163 1HD ARG 24 HD2 ARG 24 9.129 -5.169 -16.081
164 2HD ARG 24 HD1 ARG 24 9.177 -6.862 -16.507
165 HE ARG 24 HE ARG 24 9.533 -4.570 -18.402
166 1HH1 ARG 24 HH1 ARG 24 8.515 -7.469 -18.843
167 2HH1 ARG 24 HH1 ARG 24 9.846 -8.218 -19.659
168 1HH2 ARG 24 HH2 ARG 24 11.923 -5.458 -18.783
169 2HH2 ARG 24 HH2 ARG 24 11.939 -6.981 -19.572
170 H ARG 25 HN ARG 25 4.320 -4.921 -13.670
171 HA ARG 25 HA ARG 25 3.399 -7.757 -13.463
172 1HB ARG 25 HB2 ARG 25 3.233 -6.134 -10.995
173 2HB ARG 25 HB1 ARG 25 4.012 -7.680 -11.242
174 1HG ARG 25 HG2 ARG 25 5.851 -6.232 -12.520
175 2HG ARG 25 HG1 ARG 25 5.101 -4.903 -11.684
176 1HD ARG 25 HD2 ARG 25 6.525 -5.333 -9.976
177 2HD ARG 25 HD1 ARG 25 5.541 -6.752 -9.610
178 HE ARG 25 HE ARG 25 7.894 -6.837 -11.515
179 1HH1 ARG 25 HH1 ARG 25 8.553 -7.407 -8.803
180 2HH1 ARG 25 HH1 ARG 25 8.453 -9.130 -8.665
181 1HH2 ARG 25 HH2 ARG 25 6.493 -9.263 -11.630
182 2HH2 ARG 25 HH2 ARG 25 7.143 -10.278 -10.396
183 H GLY 26 HN GLY 26 1.988 -5.369 -14.729
184 1HA GLY 26 HA2 GLY 26 -0.295 -4.894 -15.049
185 2HA GLY 26 HA1 GLY 26 -0.670 -6.219 -13.942
186 H TYR 27 HN TYR 27 1.513 -4.004 -12.513
187 HA TYR 27 HA TYR 27 -0.590 -3.131 -10.665
188 1HB TYR 27 HB2 TYR 27 2.341 -2.309 -10.942
189 2HB TYR 27 HB1 TYR 27 1.340 -1.882 -9.587
190 HD1 TYR 27 HD1 TYR 27 3.821 -3.238 -9.131
191 HD2 TYR 27 HD2 TYR 27 0.020 -4.983 -10.003
192 HE1 TYR 27 HE1 TYR 27 4.470 -5.296 -7.995
193 HE2 TYR 27 HE2 TYR 27 0.638 -6.962 -8.896
194 HH TYR 27 HH TYR 27 2.983 -8.163 -8.368
195 H LYS 28 HN LYS 28 0.005 -0.527 -10.118
196 HA LYS 28 HA LYS 28 -1.160 0.816 -12.473
197 1HB LYS 28 HB2 LYS 28 -0.751 1.891 -9.655
198 2HB LYS 28 HB1 LYS 28 -1.786 2.557 -10.891
199 1HG LYS 28 HG2 LYS 28 -3.342 1.339 -9.568
200 2HG LYS 28 HG1 LYS 28 -2.963 0.211 -10.869
201 1HD LYS 28 HD2 LYS 28 -1.779 -1.247 -9.614
202 2HD LYS 28 HD1 LYS 28 -1.329 -0.043 -8.418
203 1HE LYS 28 HE2 LYS 28 -4.190 -1.092 -8.969
204 2HE LYS 28 HE1 LYS 28 -3.176 -1.754 -7.706
205 1HZ LYS 28 HZ1 LYS 28 -4.748 0.601 -7.594
206 2HZ LYS 28 HZ2 LYS 28 -3.085 0.975 -7.310
207 3HZ LYS 28 HZ3 LYS 28 -3.816 -0.156 -6.381
208 H GLY 29 HN GLY 29 1.467 1.376 -10.147
209 1HA GLY 29 HA2 GLY 29 3.349 2.178 -12.100
210 2HA GLY 29 HA1 GLY 29 2.595 3.633 -11.444
211 H GLY 30 HN GLY 30 5.198 3.608 -10.821
212 1HA GLY 30 HA2 GLY 30 5.333 3.411 -7.995
213 2HA GLY 30 HA1 GLY 30 6.109 2.003 -8.709
214 H HIS 31 HN HIS 31 7.408 3.911 -7.201
215 HA HIS 31 HA HIS 31 9.647 4.596 -8.916
216 1HB HIS 31 HB2 HIS 31 9.379 7.172 -8.263
217 2HB HIS 31 HB1 HIS 31 8.534 6.524 -9.660
218 HD1 HIS 31 HD1 HIS 31 5.877 6.210 -9.296
219 HD2 HIS 31 HD2 HIS 31 7.772 7.914 -6.038
220 HE1 HIS 31 HE1 HIS 31 4.064 7.102 -7.846
221 HE2 HIS 31 HE2 HIS 31 5.257 8.115 -5.906
222 H CYS 32 HN CYS 32 11.260 6.032 -7.593
223 HA CYS 32 HA CYS 32 11.525 4.743 -4.996
224 1HB CYS 32 HB2 CYS 32 13.405 5.513 -6.606
225 2HB CYS 32 HB1 CYS 32 13.087 7.124 -6.041
226 H GLY 33 HN GLY 33 11.940 6.200 -3.038
227 1HA GLY 33 HA2 GLY 33 10.885 8.840 -2.800
228 2HA GLY 33 HA1 GLY 33 9.540 7.744 -2.511
229 H SER 34 HN SER 34 13.031 7.970 -1.478
230 HA SER 34 HA SER 34 12.139 7.958 1.296
231 1HB SER 34 HB2 SER 34 13.912 5.780 0.022
232 2HB SER 34 HB1 SER 34 13.497 5.865 1.746
233 HG SER 34 HG SER 34 11.227 6.081 0.588
234 H PHE 35 HN PHE 35 14.844 7.412 2.123
235 HA PHE 35 HA PHE 35 16.035 10.060 1.476
236 1HB PHE 35 HB2 PHE 35 15.877 9.195 3.916
237 2HB PHE 35 HB1 PHE 35 17.135 8.042 3.461
238 HD1 PHE 35 HD1 PHE 35 16.354 11.695 3.252
239 HD2 PHE 35 HD2 PHE 35 19.389 8.731 3.651
240 HE1 PHE 35 HE1 PHE 35 18.037 13.456 3.533
241 HE2 PHE 35 HE2 PHE 35 21.069 10.495 3.933
242 HZ PHE 35 HZ PHE 35 20.399 12.860 3.873
243 H ALA 36 HN ALA 36 17.935 10.263 0.440
244 HA ALA 36 HA ALA 36 19.544 9.695 -1.215
245 1HB ALA 36 HB1 ALA 36 20.708 9.230 0.899
246 2HB ALA 36 HB2 ALA 36 21.188 8.075 -0.382
247 3HB ALA 36 HB3 ALA 36 20.032 7.569 0.879
248 H ASN 37 HN ASN 37 16.891 8.369 -1.509
249 HA ASN 37 HA ASN 37 15.914 6.700 -2.950
250 1HB ASN 37 HB2 ASN 37 18.692 6.477 -4.120
251 2HB ASN 37 HB1 ASN 37 17.169 6.246 -4.935
252 1HD2 ASN 37 HD2 ASN 37 19.581 8.517 -4.556
253 2HD2 ASN 37 HD2 ASN 37 18.679 9.906 -4.938
254 H VAL 38 HN VAL 38 15.543 5.148 -1.251
255 HA VAL 38 HA VAL 38 17.527 2.913 -1.245
256 HB VAL 38 HB VAL 38 16.663 2.477 1.163
257 1HG1 VAL 38 HG1 VAL 38 18.253 4.186 2.085
258 2HG1 VAL 38 HG1 VAL 38 18.218 4.997 0.489
259 3HG1 VAL 38 HG1 VAL 38 18.891 3.351 0.636
260 1HG2 VAL 38 HG2 VAL 38 15.852 5.371 0.863
261 2HG2 VAL 38 HG2 VAL 38 15.870 4.439 2.380
262 3HG2 VAL 38 HG2 VAL 38 14.733 3.977 1.078
263 H ASN 39 HN ASN 39 14.074 3.693 -1.399
264 HA ASN 39 HA ASN 39 13.648 0.830 -2.063
265 1HB ASN 39 HB2 ASN 39 12.219 2.456 0.049
266 2HB ASN 39 HB1 ASN 39 11.389 1.162 -0.787
267 1HD2 ASN 39 HD2 ASN 39 13.392 1.740 1.915
268 2HD2 ASN 39 HD2 ASN 39 13.924 0.139 2.105
269 H CYS 40 HN CYS 40 11.850 0.369 -3.447
270 HA CYS 40 HA CYS 40 10.867 2.808 -4.884
271 1HB CYS 40 HB2 CYS 40 12.361 0.700 -5.947
272 2HB CYS 40 HB1 CYS 40 10.712 0.252 -6.325
273 H TRP 41 HN TRP 41 8.845 3.184 -4.476
274 HA TRP 41 HA TRP 41 7.097 0.986 -3.494
275 1HB TRP 41 HB2 TRP 41 6.573 3.971 -3.411
276 2HB TRP 41 HB1 TRP 41 5.778 2.737 -2.453
277 HD1 TRP 41 HD1 TRP 41 9.070 4.821 -2.567
278 HE1 TRP 41 HE1 TRP 41 10.306 4.222 -0.441
279 HE3 TRP 41 HE3 TRP 41 6.193 1.082 -0.968
280 HZ2 TRP 41 HZ2 TRP 41 10.113 2.326 1.772
281 HZ3 TRP 41 HZ3 TRP 41 6.658 -0.146 1.113
282 HH2 TRP 41 HH2 TRP 41 8.629 0.473 2.501
283 H CYS 42 HN CYS 42 5.026 0.640 -4.412
284 HA CYS 42 HA CYS 42 4.565 1.821 -7.098
285 1HB CYS 42 HB2 CYS 42 4.090 -0.919 -5.964
286 2HB CYS 42 HB1 CYS 42 3.054 -0.330 -7.212
287 H GLU 43 HN GLU 43 2.205 1.837 -7.682
288 HA GLU 43 HA GLU 43 0.672 2.853 -5.386
289 1HB GLU 43 HB2 GLU 43 0.447 3.157 -8.392
290 2HB GLU 43 HB1 GLU 43 -0.656 3.846 -7.243
291 1HG GLU 43 HG2 GLU 43 0.786 5.671 -7.244
292 2HG GLU 43 HG1 GLU 43 1.819 4.707 -6.223
293 H THR 44 HN THR 44 1.002 -0.018 -5.830
294 HA THR 44 HA THR 44 -1.321 -1.251 -6.968
295 HB THR 44 HB THR 44 -0.716 -3.176 -5.457
296 HG1 THR 44 HG1 THR 44 0.078 -1.240 -4.092
297 1HG2 THR 44 HG2 THR 44 1.546 -3.514 -6.350
298 2HG2 THR 44 HG2 THR 44 1.696 -1.774 -6.722
299 3HG2 THR 44 HG2 THR 44 0.539 -2.791 -7.637
Start of MODEL 7
1 1H ASP 1 HT1 ASP 1 1.963 3.043 -2.703
2 2H ASP 1 HT2 ASP 1 0.681 2.567 -1.724
3 3H ASP 1 HT3 ASP 1 1.345 1.475 -2.859
4 HA ASP 1 HA ASP 1 3.364 2.459 -1.139
5 1HB ASP 1 HB2 ASP 1 0.899 1.394 0.200
6 2HB ASP 1 HB1 ASP 1 2.440 1.599 1.021
7 H LYS 2 HN LYS 2 2.546 0.371 -3.224
8 HA LYS 2 HA LYS 2 3.170 -2.114 -1.756
9 1HB LYS 2 HB2 LYS 2 1.887 -1.518 -4.264
10 2HB LYS 2 HB1 LYS 2 3.341 -2.392 -4.674
11 1HG LYS 2 HG2 LYS 2 2.002 -4.211 -4.300
12 2HG LYS 2 HG1 LYS 2 2.484 -3.988 -2.632
13 1HD LYS 2 HD2 LYS 2 0.400 -2.351 -2.479
14 2HD LYS 2 HD1 LYS 2 -0.062 -3.017 -4.010
15 1HE LYS 2 HE2 LYS 2 -1.274 -4.286 -2.449
16 2HE LYS 2 HE1 LYS 2 0.024 -5.330 -3.016
17 1HZ LYS 2 HZ1 LYS 2 -0.477 -4.531 -0.378
18 2HZ LYS 2 HZ2 LYS 2 0.948 -3.756 -0.863
19 3HZ LYS 2 HZ3 LYS 2 0.829 -5.446 -0.963
20 H LEU 3 HN LEU 3 5.128 -3.280 -1.958
21 HA LEU 3 HA LEU 3 7.458 -1.671 -2.982
22 1HB LEU 3 HB2 LEU 3 7.432 -2.303 -0.549
23 2HB LEU 3 HB1 LEU 3 7.322 -3.986 -1.013
24 HG LEU 3 HG LEU 3 9.553 -3.613 -2.287
25 1HD1 LEU 3 HD1 LEU 3 10.929 -1.849 -1.415
26 2HD1 LEU 3 HD1 LEU 3 9.551 -1.199 -0.466
27 3HD1 LEU 3 HD1 LEU 3 9.514 -1.156 -2.255
28 1HD2 LEU 3 HD2 LEU 3 9.381 -4.907 -0.255
29 2HD2 LEU 3 HD2 LEU 3 9.461 -3.413 0.731
30 3HD2 LEU 3 HD2 LEU 3 10.868 -3.921 -0.251
31 H ILE 4 HN ILE 4 8.353 -2.306 -4.821
32 HA ILE 4 HA ILE 4 8.127 -5.225 -5.564
33 HB ILE 4 HB ILE 4 7.969 -4.582 -7.888
34 1HG1 ILE 4 HG1 ILE 4 7.389 -1.830 -7.939
35 2HG1 ILE 4 HG1 ILE 4 8.778 -1.927 -6.887
36 1HG2 ILE 4 HG2 ILE 4 5.970 -3.064 -6.223
37 2HG2 ILE 4 HG2 ILE 4 5.924 -4.805 -6.610
38 3HG2 ILE 4 HG2 ILE 4 5.768 -3.583 -7.919
39 1HD1 ILE 4 HD1 ILE 4 9.926 -3.361 -8.538
40 2HD1 ILE 4 HD2 ILE 4 9.483 -1.776 -9.213
41 3HD1 ILE 4 HD3 ILE 4 8.481 -3.191 -9.614
42 H GLY 5 HN GLY 5 10.307 -2.717 -4.856
43 1HA GLY 5 HA2 GLY 5 12.565 -4.429 -5.391
44 2HA GLY 5 HA1 GLY 5 12.442 -3.214 -6.652
45 H SER 6 HN SER 6 14.700 -2.948 -5.373
46 HA SER 6 HA SER 6 14.323 -1.182 -3.038
47 1HB SER 6 HB2 SER 6 16.445 -2.945 -4.210
48 2HB SER 6 HB1 SER 6 16.941 -1.577 -3.234
49 HG SER 6 HG SER 6 16.169 -3.697 -2.142
50 H CYS 7 HN CYS 7 16.217 0.651 -3.136
51 HA CYS 7 HA CYS 7 16.351 1.834 -5.870
52 1HB CYS 7 HB2 CYS 7 14.253 2.636 -4.853
53 2HB CYS 7 HB1 CYS 7 15.185 3.343 -3.545
54 H VAL 8 HN VAL 8 18.192 0.798 -3.699
55 HA VAL 8 HA VAL 8 19.775 3.127 -2.874
56 HB VAL 8 HB VAL 8 20.140 0.117 -2.585
57 1HG1 VAL 8 HG1 VAL 8 22.303 1.178 -2.502
58 2HG1 VAL 8 HG1 VAL 8 21.821 0.629 -0.872
59 3HG1 VAL 8 HG1 VAL 8 21.696 2.358 -1.299
60 1HG2 VAL 8 HG2 VAL 8 19.459 0.507 -0.255
61 2HG2 VAL 8 HG2 VAL 8 18.208 1.002 -1.422
62 3HG2 VAL 8 HG2 VAL 8 19.238 2.244 -0.639
63 H TRP 9 HN TRP 9 19.749 1.017 -5.481
64 HA TRP 9 HA TRP 9 21.137 0.770 -7.415
65 1HB TRP 9 HB2 TRP 9 21.102 3.506 -6.903
66 2HB TRP 9 HB1 TRP 9 22.822 3.192 -6.815
67 HD1 TRP 9 HD1 TRP 9 20.496 4.365 -9.219
68 HE1 TRP 9 HE1 TRP 9 21.171 3.700 -11.531
69 HE3 TRP 9 HE3 TRP 9 23.901 0.707 -8.260
70 HZ2 TRP 9 HZ2 TRP 9 22.874 1.900 -12.932
71 HZ3 TRP 9 HZ3 TRP 9 25.017 -0.467 -10.088
72 HH2 TRP 9 HH2 TRP 9 24.517 0.119 -12.432
73 H GLY 10 HN GLY 10 21.902 -1.012 -6.010
74 1HA GLY 10 HA2 GLY 10 24.676 -1.422 -6.130
75 2HA GLY 10 HA1 GLY 10 24.352 -0.834 -4.498
76 H ALA 11 HN ALA 11 21.723 -2.008 -4.330
77 HA ALA 11 HA ALA 11 22.493 -4.692 -3.481
78 1HB ALA 11 HB1 ALA 11 20.777 -3.361 -2.267
79 2HB ALA 11 HB2 ALA 11 20.100 -4.910 -2.844
80 3HB ALA 11 HB3 ALA 11 19.749 -3.397 -3.735
81 H VAL 12 HN VAL 12 21.287 -6.659 -4.261
82 HA VAL 12 HA VAL 12 21.264 -6.621 -7.195
83 HB VAL 12 HB VAL 12 22.423 -8.326 -5.812
84 1HG1 VAL 12 HG1 VAL 12 21.183 -10.155 -4.755
85 2HG1 VAL 12 HG1 VAL 12 19.655 -9.280 -5.078
86 3HG1 VAL 12 HG1 VAL 12 20.876 -8.580 -3.973
87 1HG2 VAL 12 HG2 VAL 12 21.907 -8.875 -8.082
88 2HG2 VAL 12 HG2 VAL 12 20.299 -9.500 -7.601
89 3HG2 VAL 12 HG2 VAL 12 21.781 -10.325 -7.046
90 H ASN 13 HN ASN 13 19.242 -5.113 -6.193
91 HA ASN 13 HA ASN 13 16.896 -6.406 -7.463
92 1HB ASN 13 HB2 ASN 13 16.783 -5.581 -4.582
93 2HB ASN 13 HB1 ASN 13 15.337 -5.850 -5.530
94 1HD2 ASN 13 HD2 ASN 13 14.732 -8.054 -5.995
95 2HD2 ASN 13 HD2 ASN 13 15.546 -9.345 -5.231
96 H TYR 14 HN TYR 14 18.661 -3.838 -7.585
97 HA TYR 14 HA TYR 14 16.812 -1.681 -7.048
98 1HB TYR 14 HB2 TYR 14 19.254 -1.393 -7.117
99 2HB TYR 14 HB1 TYR 14 19.250 -1.872 -8.809
100 HD1 TYR 14 HD1 TYR 14 17.902 0.772 -6.544
101 HD2 TYR 14 HD2 TYR 14 19.099 -0.279 -10.479
102 HE1 TYR 14 HE1 TYR 14 17.625 3.141 -7.230
103 HE2 TYR 14 HE2 TYR 14 18.829 2.045 -11.181
104 HH TYR 14 HH TYR 14 17.452 4.009 -10.425
105 H THR 15 HN THR 15 15.420 -0.649 -8.500
106 HA THR 15 HA THR 15 14.741 -2.156 -10.948
107 HB THR 15 HB THR 15 12.684 -0.421 -10.659
108 HG1 THR 15 HG1 THR 15 13.077 0.751 -8.922
109 1HG2 THR 15 HG2 THR 15 13.241 -2.581 -8.584
110 2HG2 THR 15 HG2 THR 15 12.556 -2.935 -10.200
111 3HG2 THR 15 HG2 THR 15 11.637 -1.935 -9.027
112 H SER 16 HN SER 16 15.748 -1.420 -12.748
113 HA SER 16 HA SER 16 16.868 1.190 -13.096
114 1HB SER 16 HB2 SER 16 17.375 -0.885 -14.564
115 2HB SER 16 HB1 SER 16 15.801 -0.627 -15.334
116 HG SER 16 HG SER 16 18.109 0.738 -15.707
117 H ASP 17 HN ASP 17 13.704 -0.141 -13.923
118 HA ASP 17 HA ASP 17 12.693 2.660 -14.240
119 1HB ASP 17 HB2 ASP 17 12.766 1.555 -16.481
120 2HB ASP 17 HB1 ASP 17 11.748 0.269 -15.830
121 H CYS 18 HN CYS 18 11.995 2.652 -12.191
122 HA CYS 18 HA CYS 18 10.676 0.814 -10.604
123 1HB CYS 18 HB2 CYS 18 11.362 3.289 -10.293
124 2HB CYS 18 HB1 CYS 18 9.730 3.582 -10.785
125 H ASN 19 HN ASN 19 8.918 3.134 -12.662
126 HA ASN 19 HA ASN 19 6.390 1.815 -12.314
127 1HB ASN 19 HB2 ASN 19 6.705 4.242 -13.164
128 2HB ASN 19 HB1 ASN 19 7.140 3.552 -14.716
129 1HD2 ASN 19 HD2 ASN 19 4.802 1.378 -13.676
130 2HD2 ASN 19 HD2 ASN 19 3.425 2.200 -14.224
131 H GLY 20 HN GLY 20 9.001 1.420 -14.642
132 1HA GLY 20 HA2 GLY 20 7.670 -0.068 -16.650
133 2HA GLY 20 HA1 GLY 20 9.375 -0.254 -16.237
134 H GLU 21 HN GLU 21 9.484 -1.240 -13.894
135 HA GLU 21 HA GLU 21 8.721 -4.021 -14.095
136 1HB GLU 21 HB2 GLU 21 10.582 -3.021 -12.749
137 2HB GLU 21 HB1 GLU 21 9.421 -2.395 -11.619
138 1HG GLU 21 HG2 GLU 21 10.465 -4.493 -10.816
139 2HG GLU 21 HG1 GLU 21 8.702 -4.681 -11.030
140 H CYS 22 HN CYS 22 7.427 -1.395 -12.135
141 HA CYS 22 HA CYS 22 5.323 -2.708 -10.800
142 1HB CYS 22 HB2 CYS 22 6.147 -0.268 -10.796
143 2HB CYS 22 HB1 CYS 22 4.943 0.006 -12.008
144 H LYS 23 HN LYS 23 5.179 -1.210 -13.998
145 HA LYS 23 HA LYS 23 2.502 -1.965 -14.689
146 1HB LYS 23 HB2 LYS 23 5.005 -1.513 -16.391
147 2HB LYS 23 HB1 LYS 23 3.442 -1.862 -17.127
148 1HG LYS 23 HG2 LYS 23 2.454 0.143 -16.152
149 2HG LYS 23 HG1 LYS 23 3.827 0.341 -15.104
150 1HD LYS 23 HD2 LYS 23 3.838 1.994 -16.956
151 2HD LYS 23 HD1 LYS 23 5.273 0.991 -16.924
152 1HE LYS 23 HE2 LYS 23 4.431 -0.394 -18.782
153 2HE LYS 23 HE1 LYS 23 2.867 0.410 -18.739
154 1HZ LYS 23 HZ1 LYS 23 3.671 1.925 -20.174
155 2HZ LYS 23 HZ2 LYS 23 5.194 1.179 -20.158
156 3HZ LYS 23 HZ3 LYS 23 4.826 2.385 -19.024
157 H ARG 24 HN ARG 24 5.600 -3.566 -15.246
158 HA ARG 24 HA ARG 24 4.645 -5.909 -16.507
159 1HB ARG 24 HB2 ARG 24 7.091 -4.781 -15.674
160 2HB ARG 24 HB1 ARG 24 6.971 -6.138 -14.614
161 1HG ARG 24 HG2 ARG 24 6.712 -6.274 -17.649
162 2HG ARG 24 HG1 ARG 24 8.235 -6.481 -16.807
163 1HD ARG 24 HD2 ARG 24 5.754 -8.225 -16.490
164 2HD ARG 24 HD1 ARG 24 7.275 -8.716 -17.242
165 HE ARG 24 HE ARG 24 8.374 -8.453 -14.983
166 1HH1 ARG 24 HH1 ARG 24 5.681 -10.055 -15.305
167 2HH1 ARG 24 HH1 ARG 24 4.960 -9.864 -13.762
168 1HH2 ARG 24 HH2 ARG 24 7.489 -7.465 -12.935
169 2HH2 ARG 24 HH2 ARG 24 6.079 -8.226 -12.278
170 H ARG 25 HN ARG 25 4.499 -4.865 -13.206
171 HA ARG 25 HA ARG 25 3.693 -7.521 -12.177
172 1HB ARG 25 HB2 ARG 25 3.657 -4.848 -10.696
173 2HB ARG 25 HB1 ARG 25 3.729 -6.426 -9.970
174 1HG ARG 25 HG2 ARG 25 6.020 -5.965 -11.801
175 2HG ARG 25 HG1 ARG 25 5.909 -4.683 -10.648
176 1HD ARG 25 HD2 ARG 25 6.142 -6.235 -8.768
177 2HD ARG 25 HD1 ARG 25 5.856 -7.635 -9.770
178 HE ARG 25 HE ARG 25 8.143 -6.742 -10.930
179 1HH1 ARG 25 HH1 ARG 25 7.767 -8.617 -8.432
180 2HH1 ARG 25 HH1 ARG 25 9.098 -8.106 -7.464
181 1HH2 ARG 25 HH2 ARG 25 9.659 -5.248 -9.472
182 2HH2 ARG 25 HH2 ARG 25 10.262 -6.149 -8.149
183 H GLY 26 HN GLY 26 2.091 -5.481 -14.053
184 1HA GLY 26 HA2 GLY 26 -0.191 -5.237 -14.482
185 2HA GLY 26 HA1 GLY 26 -0.497 -6.425 -13.203
186 H TYR 27 HN TYR 27 1.519 -3.814 -12.261
187 HA TYR 27 HA TYR 27 -0.676 -2.745 -10.558
188 1HB TYR 27 HB2 TYR 27 2.333 -2.252 -10.612
189 2HB TYR 27 HB1 TYR 27 1.275 -1.609 -9.394
190 HD1 TYR 27 HD1 TYR 27 3.407 -2.922 -8.304
191 HD2 TYR 27 HD2 TYR 27 -0.053 -4.848 -9.910
192 HE1 TYR 27 HE1 TYR 27 3.811 -4.884 -6.897
193 HE2 TYR 27 HE2 TYR 27 0.378 -6.775 -8.524
194 HH TYR 27 HH TYR 27 1.584 -7.444 -6.500
195 H LYS 28 HN LYS 28 -0.399 -0.244 -10.205
196 HA LYS 28 HA LYS 28 -0.970 1.002 -12.764
197 1HB LYS 28 HB2 LYS 28 -0.515 2.395 -10.090
198 2HB LYS 28 HB1 LYS 28 -1.468 2.965 -11.430
199 1HG LYS 28 HG2 LYS 28 -3.327 1.791 -10.822
200 2HG LYS 28 HG1 LYS 28 -2.457 0.330 -10.414
201 1HD LYS 28 HD2 LYS 28 -1.685 1.354 -8.298
202 2HD LYS 28 HD1 LYS 28 -2.426 2.876 -8.682
203 1HE LYS 28 HE2 LYS 28 -3.887 1.826 -7.157
204 2HE LYS 28 HE1 LYS 28 -4.689 1.657 -8.710
205 1HZ LYS 28 HZ1 LYS 28 -4.009 -0.357 -6.931
206 2HZ LYS 28 HZ2 LYS 28 -2.969 -0.627 -8.177
207 3HZ LYS 28 HZ3 LYS 28 -4.620 -0.559 -8.499
208 H GLY 29 HN GLY 29 1.394 1.863 -10.256
209 1HA GLY 29 HA2 GLY 29 3.646 1.927 -11.945
210 2HA GLY 29 HA1 GLY 29 2.997 3.575 -11.846
211 H GLY 30 HN GLY 30 5.327 3.745 -10.754
212 1HA GLY 30 HA2 GLY 30 4.917 3.827 -7.902
213 2HA GLY 30 HA1 GLY 30 6.084 2.594 -8.412
214 H HIS 31 HN HIS 31 7.453 3.955 -7.058
215 HA HIS 31 HA HIS 31 9.154 5.691 -8.673
216 1HB HIS 31 HB2 HIS 31 8.938 7.671 -6.933
217 2HB HIS 31 HB1 HIS 31 7.536 7.455 -7.980
218 HD1 HIS 31 HD1 HIS 31 5.471 6.033 -6.809
219 HD2 HIS 31 HD2 HIS 31 8.401 7.176 -4.079
220 HE1 HIS 31 HE1 HIS 31 4.540 5.676 -4.591
221 HE2 HIS 31 HE2 HIS 31 6.334 6.417 -2.985
222 H CYS 32 HN CYS 32 10.842 6.742 -7.088
223 HA CYS 32 HA CYS 32 11.883 4.543 -5.448
224 1HB CYS 32 HB2 CYS 32 13.393 5.995 -6.778
225 2HB CYS 32 HB1 CYS 32 12.871 7.381 -5.857
226 H GLY 33 HN GLY 33 12.262 4.798 -3.130
227 1HA GLY 33 HA2 GLY 33 10.061 5.846 -1.719
228 2HA GLY 33 HA1 GLY 33 11.566 5.436 -0.964
229 H SER 34 HN SER 34 13.023 7.207 -0.474
230 HA SER 34 HA SER 34 12.454 9.887 -1.449
231 1HB SER 34 HB2 SER 34 11.911 9.420 1.532
232 2HB SER 34 HB1 SER 34 11.743 10.937 0.660
233 HG SER 34 HG SER 34 10.201 9.455 -0.683
234 H PHE 35 HN PHE 35 13.657 8.722 1.715
235 HA PHE 35 HA PHE 35 15.952 10.493 1.444
236 1HB PHE 35 HB2 PHE 35 14.752 9.708 3.646
237 2HB PHE 35 HB1 PHE 35 15.777 8.286 3.494
238 HD1 PHE 35 HD1 PHE 35 18.350 8.681 3.274
239 HD2 PHE 35 HD2 PHE 35 15.629 11.692 4.587
240 HE1 PHE 35 HE1 PHE 35 20.205 9.938 4.257
241 HE2 PHE 35 HE2 PHE 35 17.490 12.940 5.572
242 HZ PHE 35 HZ PHE 35 19.784 12.066 5.408
243 H ALA 36 HN ALA 36 17.834 10.067 0.790
244 HA ALA 36 HA ALA 36 19.478 9.027 -0.552
245 1HB ALA 36 HB1 ALA 36 20.555 7.190 0.668
246 2HB ALA 36 HB2 ALA 36 19.148 7.102 1.759
247 3HB ALA 36 HB3 ALA 36 20.172 8.577 1.731
248 H ASN 37 HN ASN 37 16.678 8.111 -1.264
249 HA ASN 37 HA ASN 37 15.659 6.407 -2.597
250 1HB ASN 37 HB2 ASN 37 18.485 6.034 -3.607
251 2HB ASN 37 HB1 ASN 37 17.029 5.928 -4.551
252 1HD2 ASN 37 HD2 ASN 37 19.610 7.884 -4.305
253 2HD2 ASN 37 HD2 ASN 37 18.880 9.394 -4.603
254 H VAL 38 HN VAL 38 15.148 4.859 -0.926
255 HA VAL 38 HA VAL 38 17.144 2.652 -0.605
256 HB VAL 38 HB VAL 38 16.566 3.837 1.411
257 1HG1 VAL 38 HG1 VAL 38 14.287 4.545 0.899
258 2HG1 VAL 38 HG1 VAL 38 14.379 3.688 2.460
259 3HG1 VAL 38 HG1 VAL 38 13.731 2.844 1.030
260 1HG2 VAL 38 HG2 VAL 38 15.484 1.009 1.352
261 2HG2 VAL 38 HG2 VAL 38 15.927 1.912 2.833
262 3HG2 VAL 38 HG2 VAL 38 17.172 1.531 1.611
263 H ASN 39 HN ASN 39 13.664 3.138 -1.033
264 HA ASN 39 HA ASN 39 13.516 0.448 -2.288
265 1HB ASN 39 HB2 ASN 39 11.483 1.588 -0.402
266 2HB ASN 39 HB1 ASN 39 11.435 0.067 -1.225
267 1HD2 ASN 39 HD2 ASN 39 11.896 1.212 1.751
268 2HD2 ASN 39 HD2 ASN 39 13.057 0.099 2.324
269 H CYS 40 HN CYS 40 12.130 0.250 -4.070
270 HA CYS 40 HA CYS 40 10.970 2.807 -5.029
271 1HB CYS 40 HB2 CYS 40 12.359 0.683 -6.366
272 2HB CYS 40 HB1 CYS 40 10.696 0.504 -6.864
273 H TRP 41 HN TRP 41 8.978 3.114 -4.390
274 HA TRP 41 HA TRP 41 7.229 0.769 -3.772
275 1HB TRP 41 HB2 TRP 41 6.718 3.664 -3.099
276 2HB TRP 41 HB1 TRP 41 5.785 2.288 -2.551
277 HD1 TRP 41 HD1 TRP 41 9.300 3.910 -2.110
278 HE1 TRP 41 HE1 TRP 41 10.139 2.976 0.028
279 HE3 TRP 41 HE3 TRP 41 5.697 0.568 -1.147
280 HZ2 TRP 41 HZ2 TRP 41 9.437 0.961 2.050
281 HZ3 TRP 41 HZ3 TRP 41 5.750 -0.871 0.854
282 HH2 TRP 41 HH2 TRP 41 7.627 -0.679 2.460
283 H CYS 42 HN CYS 42 5.227 0.556 -4.636
284 HA CYS 42 HA CYS 42 4.547 2.066 -7.063
285 1HB CYS 42 HB2 CYS 42 3.925 -0.691 -6.066
286 2HB CYS 42 HB1 CYS 42 2.926 0.030 -7.287
287 H GLU 43 HN GLU 43 2.238 2.434 -7.408
288 HA GLU 43 HA GLU 43 0.879 3.271 -4.915
289 1HB GLU 43 HB2 GLU 43 -0.074 3.994 -7.655
290 2HB GLU 43 HB1 GLU 43 -0.019 4.914 -6.176
291 1HG GLU 43 HG2 GLU 43 2.523 4.319 -7.737
292 2HG GLU 43 HG1 GLU 43 1.563 5.752 -7.964
293 H THR 44 HN THR 44 0.821 0.433 -5.793
294 HA THR 44 HA THR 44 -2.077 0.244 -6.441
295 HB THR 44 HB THR 44 -0.300 -0.753 -8.124
296 HG1 THR 44 HG1 THR 44 -2.208 -2.332 -6.802
297 1HG2 THR 44 HG2 THR 44 0.288 -3.056 -7.569
298 2HG2 THR 44 HG2 THR 44 -0.443 -2.934 -5.975
299 3HG2 THR 44 HG2 THR 44 1.038 -1.976 -6.339
Start of MODEL 8
1 1H ASP 1 HT1 ASP 1 0.736 2.425 -0.301
2 2H ASP 1 HT2 ASP 1 0.480 0.767 -0.329
3 3H ASP 1 HT3 ASP 1 -0.472 1.766 -1.351
4 HA ASP 1 HA ASP 1 1.048 1.463 -2.919
5 1HB ASP 1 HB2 ASP 1 3.440 2.361 -2.306
6 2HB ASP 1 HB1 ASP 1 2.127 3.505 -2.256
7 H LYS 2 HN LYS 2 2.809 0.074 -3.586
8 HA LYS 2 HA LYS 2 3.322 -2.177 -1.620
9 1HB LYS 2 HB2 LYS 2 1.738 -2.636 -3.561
10 2HB LYS 2 HB1 LYS 2 3.091 -2.438 -4.639
11 1HG LYS 2 HG2 LYS 2 3.258 -4.730 -4.407
12 2HG LYS 2 HG1 LYS 2 4.243 -4.298 -3.039
13 1HD LYS 2 HD2 LYS 2 2.712 -5.806 -2.047
14 2HD LYS 2 HD1 LYS 2 2.000 -4.261 -1.675
15 1HE LYS 2 HE2 LYS 2 0.198 -5.625 -2.555
16 2HE LYS 2 HE1 LYS 2 0.569 -4.459 -3.813
17 1HZ LYS 2 HZ1 LYS 2 1.095 -6.154 -5.216
18 2HZ LYS 2 HZ2 LYS 2 0.647 -7.247 -4.003
19 3HZ LYS 2 HZ3 LYS 2 2.234 -6.724 -4.175
20 H LEU 3 HN LEU 3 5.425 -3.046 -1.521
21 HA LEU 3 HA LEU 3 7.538 -1.444 -2.893
22 1HB LEU 3 HB2 LEU 3 7.670 -1.773 -0.416
23 2HB LEU 3 HB1 LEU 3 7.678 -3.503 -0.655
24 HG LEU 3 HG LEU 3 9.869 -3.229 -1.979
25 1HD1 LEU 3 HD1 LEU 3 9.686 -0.839 -2.451
26 2HD1 LEU 3 HD1 LEU 3 11.179 -1.223 -1.560
27 3HD1 LEU 3 HD1 LEU 3 9.769 -0.495 -0.704
28 1HD2 LEU 3 HD2 LEU 3 9.804 -4.048 0.290
29 2HD2 LEU 3 HD2 LEU 3 9.832 -2.375 0.921
30 3HD2 LEU 3 HD2 LEU 3 11.243 -3.027 0.027
31 H ILE 4 HN ILE 4 7.985 -2.256 -4.888
32 HA ILE 4 HA ILE 4 7.970 -5.227 -5.294
33 HB ILE 4 HB ILE 4 8.097 -4.768 -7.633
34 1HG1 ILE 4 HG1 ILE 4 7.581 -1.916 -7.742
35 2HG1 ILE 4 HG1 ILE 4 9.033 -2.139 -6.796
36 1HG2 ILE 4 HG2 ILE 4 5.936 -3.729 -7.968
37 2HG2 ILE 4 HG2 ILE 4 5.956 -3.119 -6.286
38 3HG2 ILE 4 HG2 ILE 4 5.943 -4.881 -6.594
39 1HD1 ILE 4 HD1 ILE 4 8.452 -3.373 -9.488
40 2HD1 ILE 4 HD2 ILE 4 9.917 -3.690 -8.495
41 3HD1 ILE 4 HD3 ILE 4 9.597 -2.057 -9.154
42 H GLY 5 HN GLY 5 10.212 -2.644 -4.810
43 1HA GLY 5 HA2 GLY 5 12.450 -4.500 -4.795
44 2HA GLY 5 HA1 GLY 5 12.502 -3.440 -6.201
45 H SER 6 HN SER 6 14.586 -3.030 -4.757
46 HA SER 6 HA SER 6 14.004 -0.932 -2.697
47 1HB SER 6 HB2 SER 6 15.674 -2.880 -2.158
48 2HB SER 6 HB1 SER 6 16.738 -2.095 -3.332
49 HG SER 6 HG SER 6 17.244 -0.911 -1.623
50 H CYS 7 HN CYS 7 15.746 0.847 -2.730
51 HA CYS 7 HA CYS 7 16.298 1.669 -5.578
52 1HB CYS 7 HB2 CYS 7 14.269 2.774 -4.467
53 2HB CYS 7 HB1 CYS 7 15.426 3.555 -3.411
54 H VAL 8 HN VAL 8 17.931 0.446 -3.522
55 HA VAL 8 HA VAL 8 19.982 2.570 -3.000
56 HB VAL 8 HB VAL 8 19.711 -0.204 -1.766
57 1HG1 VAL 8 HG1 VAL 8 21.481 2.135 -1.007
58 2HG1 VAL 8 HG1 VAL 8 22.008 0.585 -1.736
59 3HG1 VAL 8 HG1 VAL 8 21.320 0.607 -0.089
60 1HG2 VAL 8 HG2 VAL 8 19.041 2.517 -0.624
61 2HG2 VAL 8 HG2 VAL 8 18.950 0.963 0.263
62 3HG2 VAL 8 HG2 VAL 8 17.874 1.255 -1.130
63 H TRP 9 HN TRP 9 20.845 2.499 -5.061
64 HA TRP 9 HA TRP 9 21.665 0.397 -6.687
65 1HB TRP 9 HB2 TRP 9 22.288 3.209 -6.483
66 2HB TRP 9 HB1 TRP 9 23.816 2.382 -6.688
67 HD1 TRP 9 HD1 TRP 9 21.294 3.936 -8.764
68 HE1 TRP 9 HE1 TRP 9 21.326 2.881 -11.043
69 HE3 TRP 9 HE3 TRP 9 23.982 -0.214 -7.818
70 HZ2 TRP 9 HZ2 TRP 9 22.330 0.554 -12.411
71 HZ3 TRP 9 HZ3 TRP 9 24.478 -1.852 -9.593
72 HH2 TRP 9 HH2 TRP 9 23.652 -1.470 -11.891
73 H GLY 10 HN GLY 10 22.375 -1.407 -5.520
74 1HA GLY 10 HA2 GLY 10 25.022 -2.068 -5.226
75 2HA GLY 10 HA1 GLY 10 24.689 -1.243 -3.703
76 H ALA 11 HN ALA 11 21.860 -2.203 -3.777
77 HA ALA 11 HA ALA 11 22.377 -4.802 -2.470
78 1HB ALA 11 HB1 ALA 11 19.952 -4.683 -1.905
79 2HB ALA 11 HB2 ALA 11 19.800 -3.259 -2.972
80 3HB ALA 11 HB3 ALA 11 20.804 -3.165 -1.491
81 H VAL 12 HN VAL 12 21.069 -6.732 -3.066
82 HA VAL 12 HA VAL 12 21.085 -7.107 -5.985
83 HB VAL 12 HB VAL 12 20.356 -9.036 -3.802
84 1HG1 VAL 12 HG1 VAL 12 19.702 -9.880 -5.971
85 2HG1 VAL 12 HG1 VAL 12 21.097 -10.795 -5.349
86 3HG1 VAL 12 HG1 VAL 12 21.344 -9.544 -6.605
87 1HG2 VAL 12 HG2 VAL 12 23.059 -8.504 -5.055
88 2HG2 VAL 12 HG2 VAL 12 22.701 -9.852 -3.929
89 3HG2 VAL 12 HG2 VAL 12 22.592 -8.164 -3.363
90 H ASN 13 HN ASN 13 19.169 -5.264 -5.375
91 HA ASN 13 HA ASN 13 16.789 -6.499 -6.520
92 1HB ASN 13 HB2 ASN 13 15.250 -5.967 -4.574
93 2HB ASN 13 HB1 ASN 13 16.447 -7.190 -4.173
94 1HD2 ASN 13 HD2 ASN 13 16.289 -6.506 -1.870
95 2HD2 ASN 13 HD2 ASN 13 17.042 -5.053 -1.379
96 H TYR 14 HN TYR 14 18.620 -4.076 -6.854
97 HA TYR 14 HA TYR 14 16.854 -1.808 -6.372
98 1HB TYR 14 HB2 TYR 14 19.341 -1.570 -6.473
99 2HB TYR 14 HB1 TYR 14 19.283 -2.045 -8.163
100 HD1 TYR 14 HD1 TYR 14 18.386 -0.488 -9.896
101 HD2 TYR 14 HD2 TYR 14 18.629 0.696 -5.808
102 HE1 TYR 14 HE1 TYR 14 18.028 1.852 -10.519
103 HE2 TYR 14 HE2 TYR 14 18.257 3.022 -6.469
104 HH TYR 14 HH TYR 14 18.633 4.217 -9.376
105 H THR 15 HN THR 15 15.540 -0.792 -7.792
106 HA THR 15 HA THR 15 14.936 -2.194 -10.338
107 HB THR 15 HB THR 15 12.758 -0.585 -9.869
108 HG1 THR 15 HG1 THR 15 12.985 0.122 -7.903
109 1HG2 THR 15 HG2 THR 15 12.748 -3.042 -10.271
110 2HG2 THR 15 HG2 THR 15 11.712 -2.573 -8.882
111 3HG2 THR 15 HG2 THR 15 13.314 -3.286 -8.586
112 H SER 16 HN SER 16 16.157 -1.108 -11.844
113 HA SER 16 HA SER 16 16.548 1.727 -11.903
114 1HB SER 16 HB2 SER 16 17.937 0.240 -13.347
115 2HB SER 16 HB1 SER 16 16.490 -0.277 -14.235
116 HG SER 16 HG SER 16 16.249 1.743 -15.042
117 H ASP 17 HN ASP 17 14.183 -0.285 -13.638
118 HA ASP 17 HA ASP 17 12.674 2.220 -14.273
119 1HB ASP 17 HB2 ASP 17 13.403 0.559 -16.099
120 2HB ASP 17 HB1 ASP 17 12.254 -0.555 -15.362
121 H CYS 18 HN CYS 18 12.166 2.246 -12.038
122 HA CYS 18 HA CYS 18 10.741 0.443 -10.459
123 1HB CYS 18 HB2 CYS 18 11.629 2.850 -10.081
124 2HB CYS 18 HB1 CYS 18 10.017 3.276 -10.549
125 H ASN 19 HN ASN 19 9.200 2.915 -12.510
126 HA ASN 19 HA ASN 19 6.569 1.744 -12.114
127 1HB ASN 19 HB2 ASN 19 6.891 4.198 -12.675
128 2HB ASN 19 HB1 ASN 19 7.401 3.747 -14.289
129 1HD2 ASN 19 HD2 ASN 19 4.941 1.500 -13.735
130 2HD2 ASN 19 HD2 ASN 19 3.638 2.463 -14.231
131 H GLY 20 HN GLY 20 8.927 1.618 -14.835
132 1HA GLY 20 HA2 GLY 20 7.392 0.220 -16.718
133 2HA GLY 20 HA1 GLY 20 9.124 0.003 -16.501
134 H GLU 21 HN GLU 21 9.299 -1.039 -13.990
135 HA GLU 21 HA GLU 21 8.505 -3.763 -14.456
136 1HB GLU 21 HB2 GLU 21 10.510 -2.900 -13.068
137 2HB GLU 21 HB1 GLU 21 9.368 -2.483 -11.825
138 1HG GLU 21 HG2 GLU 21 10.558 -4.808 -11.569
139 2HG GLU 21 HG1 GLU 21 8.833 -4.778 -11.295
140 H CYS 22 HN CYS 22 7.397 -1.361 -12.133
141 HA CYS 22 HA CYS 22 5.355 -2.706 -10.774
142 1HB CYS 22 HB2 CYS 22 6.170 -0.291 -10.674
143 2HB CYS 22 HB1 CYS 22 4.965 0.045 -11.874
144 H LYS 23 HN LYS 23 5.026 -1.039 -13.839
145 HA LYS 23 HA LYS 23 2.346 -1.789 -14.477
146 1HB LYS 23 HB2 LYS 23 4.147 -0.074 -15.650
147 2HB LYS 23 HB1 LYS 23 4.599 -1.474 -16.557
148 1HG LYS 23 HG2 LYS 23 3.153 -0.274 -17.995
149 2HG LYS 23 HG1 LYS 23 2.209 -1.636 -17.433
150 1HD LYS 23 HD2 LYS 23 2.096 0.827 -15.725
151 2HD LYS 23 HD1 LYS 23 1.378 1.011 -17.308
152 1HE LYS 23 HE2 LYS 23 -0.254 -0.634 -16.916
153 2HE LYS 23 HE1 LYS 23 0.653 -1.421 -15.640
154 1HZ LYS 23 HZ1 LYS 23 0.183 1.256 -14.836
155 2HZ LYS 23 HZ2 LYS 23 -0.262 -0.209 -14.195
156 3HZ LYS 23 HZ3 LYS 23 -1.295 0.534 -15.337
157 H ARG 24 HN ARG 24 5.462 -3.220 -15.397
158 HA ARG 24 HA ARG 24 4.492 -5.464 -16.767
159 1HB ARG 24 HB2 ARG 24 6.901 -4.381 -16.216
160 2HB ARG 24 HB1 ARG 24 6.921 -5.595 -14.973
161 1HG ARG 24 HG2 ARG 24 6.256 -6.169 -17.864
162 2HG ARG 24 HG1 ARG 24 7.914 -6.024 -17.322
163 1HD ARG 24 HD2 ARG 24 5.895 -8.024 -16.136
164 2HD ARG 24 HD1 ARG 24 7.161 -8.406 -17.294
165 HE ARG 24 HE ARG 24 7.775 -7.369 -14.490
166 1HH1 ARG 24 HH2 ARG 24 7.828 -10.166 -15.857
167 2HH1 ARG 24 HH2 ARG 24 9.531 -10.436 -15.979
168 1HH2 ARG 24 HH1 ARG 24 10.053 -6.996 -15.218
169 2HH2 ARG 24 HH1 ARG 24 10.955 -8.415 -15.534
170 H ARG 25 HN ARG 25 4.491 -4.729 -13.381
171 HA ARG 25 HA ARG 25 3.940 -7.535 -12.632
172 1HB ARG 25 HB2 ARG 25 3.645 -5.193 -10.731
173 2HB ARG 25 HB1 ARG 25 4.091 -6.839 -10.358
174 1HG ARG 25 HG2 ARG 25 6.144 -5.876 -12.101
175 2HG ARG 25 HG1 ARG 25 5.787 -4.539 -11.048
176 1HD ARG 25 HD2 ARG 25 7.350 -5.595 -9.730
177 2HD ARG 25 HD1 ARG 25 5.940 -6.500 -9.173
178 HE ARG 25 HE ARG 25 7.758 -7.383 -11.416
179 1HH1 ARG 25 HH1 ARG 25 7.799 -8.347 -8.533
180 2HH1 ARG 25 HH1 ARG 25 7.033 -9.891 -8.635
181 1HH2 ARG 25 HH2 ARG 25 5.788 -9.059 -11.855
182 2HH2 ARG 25 HH2 ARG 25 5.825 -10.346 -10.705
183 H GLY 26 HN GLY 26 2.117 -5.413 -14.144
184 1HA GLY 26 HA2 GLY 26 -0.216 -5.451 -14.459
185 2HA GLY 26 HA1 GLY 26 -0.352 -6.634 -13.150
186 H TYR 27 HN TYR 27 1.558 -3.964 -12.198
187 HA TYR 27 HA TYR 27 -0.701 -2.972 -10.517
188 1HB TYR 27 HB2 TYR 27 2.277 -2.359 -10.505
189 2HB TYR 27 HB1 TYR 27 1.154 -1.659 -9.376
190 HD1 TYR 27 HD1 TYR 27 -0.339 -4.761 -9.555
191 HD2 TYR 27 HD2 TYR 27 3.382 -3.029 -8.347
192 HE1 TYR 27 HE1 TYR 27 0.030 -6.603 -8.034
193 HE2 TYR 27 HE2 TYR 27 3.731 -4.902 -6.826
194 HH TYR 27 HH TYR 27 2.656 -7.551 -6.947
195 H LYS 28 HN LYS 28 -0.486 -0.515 -10.144
196 HA LYS 28 HA LYS 28 -1.249 0.827 -12.580
197 1HB LYS 28 HB2 LYS 28 -0.580 2.193 -9.941
198 2HB LYS 28 HB1 LYS 28 -1.704 2.706 -11.149
199 1HG LYS 28 HG2 LYS 28 -3.371 1.132 -10.532
200 2HG LYS 28 HG1 LYS 28 -2.273 0.086 -9.665
201 1HD LYS 28 HD2 LYS 28 -2.051 1.678 -7.808
202 2HD LYS 28 HD1 LYS 28 -2.770 2.961 -8.729
203 1HE LYS 28 HE2 LYS 28 -4.406 2.195 -7.125
204 2HE LYS 28 HE1 LYS 28 -4.974 1.667 -8.704
205 1HZ LYS 28 HZ1 LYS 28 -5.010 -0.436 -7.885
206 2HZ LYS 28 HZ2 LYS 28 -4.355 0.180 -6.413
207 3HZ LYS 28 HZ3 LYS 28 -3.323 -0.339 -7.593
208 H GLY 29 HN GLY 29 1.281 1.655 -10.245
209 1HA GLY 29 HA2 GLY 29 3.466 1.782 -12.013
210 2HA GLY 29 HA1 GLY 29 2.758 3.407 -11.903
211 H GLY 30 HN GLY 30 5.306 3.093 -10.906
212 1HA GLY 30 HA2 GLY 30 4.895 3.517 -8.030
213 2HA GLY 30 HA1 GLY 30 6.053 2.257 -8.513
214 H HIS 31 HN HIS 31 7.522 3.652 -7.301
215 HA HIS 31 HA HIS 31 9.192 5.233 -9.033
216 1HB HIS 31 HB2 HIS 31 8.888 7.423 -7.531
217 2HB HIS 31 HB1 HIS 31 7.659 7.100 -8.754
218 HD1 HIS 31 HD1 HIS 31 5.372 6.226 -7.878
219 HD2 HIS 31 HD2 HIS 31 8.085 6.864 -4.747
220 HE1 HIS 31 HE1 HIS 31 4.059 6.092 -5.780
221 HE2 HIS 31 HE2 HIS 31 5.716 6.485 -3.953
222 H CYS 32 HN CYS 32 10.848 6.503 -7.577
223 HA CYS 32 HA CYS 32 11.780 4.544 -5.579
224 1HB CYS 32 HB2 CYS 32 13.393 5.721 -7.086
225 2HB CYS 32 HB1 CYS 32 12.927 7.246 -6.374
226 H GLY 33 HN GLY 33 12.185 5.227 -3.362
227 1HA GLY 33 HA2 GLY 33 9.953 6.519 -2.197
228 2HA GLY 33 HA1 GLY 33 11.407 6.165 -1.337
229 H SER 34 HN SER 34 12.934 7.990 -1.109
230 HA SER 34 HA SER 34 12.490 10.468 -2.554
231 1HB SER 34 HB2 SER 34 11.757 10.506 0.425
232 2HB SER 34 HB1 SER 34 11.798 11.900 -0.644
233 HG SER 34 HG SER 34 10.188 10.269 -1.865
234 H PHE 35 HN PHE 35 13.546 9.832 0.828
235 HA PHE 35 HA PHE 35 15.848 11.525 0.435
236 1HB PHE 35 HB2 PHE 35 14.930 11.241 2.667
237 2HB PHE 35 HB1 PHE 35 15.247 9.504 2.611
238 HD1 PHE 35 HD1 PHE 35 17.593 8.665 2.631
239 HD2 PHE 35 HD2 PHE 35 16.723 12.806 3.181
240 HE1 PHE 35 HE1 PHE 35 19.866 9.039 3.494
241 HE2 PHE 35 HE2 PHE 35 18.987 13.165 4.034
242 HZ PHE 35 HZ PHE 35 20.563 11.290 4.195
243 H ALA 36 HN ALA 36 17.655 11.098 -0.307
244 HA ALA 36 HA ALA 36 19.289 9.995 -1.616
245 1HB ALA 36 HB1 ALA 36 20.546 8.400 -0.246
246 2HB ALA 36 HB2 ALA 36 19.187 8.330 0.903
247 3HB ALA 36 HB3 ALA 36 20.093 9.862 0.684
248 H ASN 37 HN ASN 37 16.491 8.802 -2.031
249 HA ASN 37 HA ASN 37 15.558 6.927 -3.102
250 1HB ASN 37 HB2 ASN 37 18.327 6.297 -4.164
251 2HB ASN 37 HB1 ASN 37 16.830 6.265 -5.048
252 1HD2 ASN 37 HD2 ASN 37 19.625 7.958 -4.847
253 2HD2 ASN 37 HD2 ASN 37 19.095 9.464 -5.432
254 H VAL 38 HN VAL 38 15.082 5.521 -1.381
255 HA VAL 38 HA VAL 38 17.164 3.443 -0.813
256 HB VAL 38 HB VAL 38 16.154 3.243 1.470
257 1HG1 VAL 38 HG1 VAL 38 16.978 6.051 0.658
258 2HG1 VAL 38 HG1 VAL 38 18.073 4.702 1.071
259 3HG1 VAL 38 HG1 VAL 38 16.999 5.396 2.323
260 1HG2 VAL 38 HG2 VAL 38 13.891 4.010 0.963
261 2HG2 VAL 38 HG2 VAL 38 14.522 5.658 0.616
262 3HG2 VAL 38 HG2 VAL 38 14.626 4.977 2.264
263 H ASN 39 HN ASN 39 13.653 3.875 -1.217
264 HA ASN 39 HA ASN 39 13.469 0.972 -1.845
265 1HB ASN 39 HB2 ASN 39 11.519 2.642 -0.263
266 2HB ASN 39 HB1 ASN 39 11.121 1.095 -0.918
267 1HD2 ASN 39 HD2 ASN 39 11.494 -0.670 0.439
268 2HD2 ASN 39 HD2 ASN 39 12.447 -0.561 1.849
269 H CYS 40 HN CYS 40 11.962 0.369 -3.515
270 HA CYS 40 HA CYS 40 10.955 2.714 -5.051
271 1HB CYS 40 HB2 CYS 40 12.315 0.321 -5.815
272 2HB CYS 40 HB1 CYS 40 10.685 0.171 -6.422
273 H TRP 41 HN TRP 41 8.933 3.162 -4.465
274 HA TRP 41 HA TRP 41 7.155 0.945 -3.522
275 1HB TRP 41 HB2 TRP 41 6.507 3.896 -3.400
276 2HB TRP 41 HB1 TRP 41 5.708 2.601 -2.539
277 HD1 TRP 41 HD1 TRP 41 8.722 4.907 -2.364
278 HE1 TRP 41 HE1 TRP 41 9.829 4.397 -0.171
279 HE3 TRP 41 HE3 TRP 41 6.160 0.821 -1.066
280 HZ2 TRP 41 HZ2 TRP 41 9.700 2.436 1.995
281 HZ3 TRP 41 HZ3 TRP 41 6.610 -0.401 1.030
282 HH2 TRP 41 HH2 TRP 41 8.400 0.415 2.577
283 H CYS 42 HN CYS 42 5.051 0.670 -4.342
284 HA CYS 42 HA CYS 42 4.542 1.896 -6.996
285 1HB CYS 42 HB2 CYS 42 4.091 -0.843 -5.906
286 2HB CYS 42 HB1 CYS 42 2.984 -0.238 -7.084
287 H GLU 43 HN GLU 43 2.192 2.076 -7.476
288 HA GLU 43 HA GLU 43 0.853 3.315 -5.234
289 1HB GLU 43 HB2 GLU 43 0.083 2.814 -8.140
290 2HB GLU 43 HB1 GLU 43 -0.750 3.882 -7.033
291 1HG GLU 43 HG2 GLU 43 1.126 5.342 -6.820
292 2HG GLU 43 HG1 GLU 43 2.275 4.195 -7.451
293 H THR 44 HN THR 44 -0.166 0.705 -7.371
294 HA THR 44 HA THR 44 -1.782 -0.999 -7.061
295 HB THR 44 HB THR 44 -1.198 -2.483 -5.099
296 HG1 THR 44 HG1 THR 44 -0.524 -0.259 -4.146
297 1HG2 THR 44 HG2 THR 44 1.157 -1.235 -6.589
298 2HG2 THR 44 HG2 THR 44 0.062 -2.488 -7.271
299 3HG2 THR 44 HG2 THR 44 1.121 -2.864 -5.878
Start of MODEL 9
1 1H ASP 1 HT1 ASP 1 1.142 1.192 -0.158
2 2H ASP 1 HT2 ASP 1 0.241 2.382 -1.003
3 3H ASP 1 HT3 ASP 1 1.592 2.817 -0.076
4 HA ASP 1 HA ASP 1 1.474 1.972 -2.774
5 1HB ASP 1 HB2 ASP 1 3.979 2.428 -1.065
6 2HB ASP 1 HB1 ASP 1 3.821 2.740 -2.772
7 H LYS 2 HN LYS 2 3.022 0.327 -3.690
8 HA LYS 2 HA LYS 2 3.357 -2.020 -1.837
9 1HB LYS 2 HB2 LYS 2 2.179 -1.646 -4.438
10 2HB LYS 2 HB1 LYS 2 3.444 -2.817 -4.556
11 1HG LYS 2 HG2 LYS 2 2.306 -4.304 -2.983
12 2HG LYS 2 HG1 LYS 2 1.303 -2.976 -2.370
13 1HD LYS 2 HD2 LYS 2 0.377 -2.692 -4.620
14 2HD LYS 2 HD1 LYS 2 1.202 -4.132 -5.210
15 1HE LYS 2 HE2 LYS 2 -0.254 -5.468 -3.812
16 2HE LYS 2 HE1 LYS 2 -0.824 -4.033 -2.947
17 1HZ LYS 2 HZ1 LYS 2 -1.909 -5.057 -5.328
18 2HZ LYS 2 HZ2 LYS 2 -1.127 -3.609 -5.729
19 3HZ LYS 2 HZ3 LYS 2 -2.230 -3.555 -4.525
20 H LEU 3 HN LEU 3 5.471 -2.558 -1.408
21 HA LEU 3 HA LEU 3 7.638 -1.292 -2.920
22 1HB LEU 3 HB2 LEU 3 7.690 -1.690 -0.449
23 2HB LEU 3 HB1 LEU 3 7.705 -3.414 -0.735
24 HG LEU 3 HG LEU 3 9.897 -1.630 -1.890
25 1HD1 LEU 3 HD1 LEU 3 9.806 -3.015 0.810
26 2HD1 LEU 3 HD1 LEU 3 9.769 -1.249 0.510
27 3HD1 LEU 3 HD1 LEU 3 11.224 -2.194 0.094
28 1HD2 LEU 3 HD2 LEU 3 11.228 -3.663 -1.727
29 2HD2 LEU 3 HD2 LEU 3 9.788 -4.006 -2.710
30 3HD2 LEU 3 HD2 LEU 3 9.838 -4.541 -1.003
31 H ILE 4 HN ILE 4 8.150 -2.065 -4.848
32 HA ILE 4 HA ILE 4 7.897 -5.023 -5.370
33 HB ILE 4 HB ILE 4 7.780 -4.444 -7.693
34 1HG1 ILE 4 HG1 ILE 4 7.421 -1.588 -7.623
35 2HG1 ILE 4 HG1 ILE 4 8.928 -1.913 -6.800
36 1HG2 ILE 4 HG2 ILE 4 5.666 -3.228 -7.660
37 2HG2 ILE 4 HG2 ILE 4 5.968 -2.708 -5.988
38 3HG2 ILE 4 HG2 ILE 4 5.753 -4.444 -6.324
39 1HD1 ILE 4 HD1 ILE 4 8.113 -3.028 -9.479
40 2HD1 ILE 4 HD2 ILE 4 9.650 -3.397 -8.618
41 3HD1 ILE 4 HD3 ILE 4 9.309 -1.738 -9.183
42 H GLY 5 HN GLY 5 10.278 -2.679 -4.757
43 1HA GLY 5 HA2 GLY 5 12.419 -4.549 -5.057
44 2HA GLY 5 HA1 GLY 5 12.444 -3.500 -6.453
45 H SER 6 HN SER 6 14.552 -3.115 -5.191
46 HA SER 6 HA SER 6 14.334 -1.247 -2.917
47 1HB SER 6 HB2 SER 6 16.033 -3.136 -2.823
48 2HB SER 6 HB1 SER 6 16.810 -2.475 -4.250
49 HG SER 6 HG SER 6 16.379 -0.854 -1.952
50 H CYS 7 HN CYS 7 16.376 0.421 -3.210
51 HA CYS 7 HA CYS 7 16.299 1.667 -5.894
52 1HB CYS 7 HB2 CYS 7 14.342 2.574 -4.654
53 2HB CYS 7 HB1 CYS 7 15.422 3.167 -3.420
54 H VAL 8 HN VAL 8 18.227 0.457 -3.787
55 HA VAL 8 HA VAL 8 20.025 2.748 -3.270
56 HB VAL 8 HB VAL 8 20.567 -0.237 -2.841
57 1HG1 VAL 8 HG1 VAL 8 22.542 1.337 -2.608
58 2HG1 VAL 8 HG1 VAL 8 22.082 0.579 -1.056
59 3HG1 VAL 8 HG1 VAL 8 21.584 2.261 -1.423
60 1HG2 VAL 8 HG2 VAL 8 18.499 0.276 -1.750
61 2HG2 VAL 8 HG2 VAL 8 19.282 1.668 -0.938
62 3HG2 VAL 8 HG2 VAL 8 19.804 -0.004 -0.567
63 H TRP 9 HN TRP 9 22.033 0.153 -4.006
64 HA TRP 9 HA TRP 9 22.262 0.330 -6.863
65 1HB TRP 9 HB2 TRP 9 22.971 2.657 -6.457
66 2HB TRP 9 HB1 TRP 9 24.155 2.111 -5.280
67 HD1 TRP 9 HD1 TRP 9 26.506 1.388 -6.182
68 HE1 TRP 9 HE1 TRP 9 27.388 1.186 -8.527
69 HE3 TRP 9 HE3 TRP 9 22.281 1.963 -8.738
70 HZ2 TRP 9 HZ2 TRP 9 26.450 1.252 -11.294
71 HZ3 TRP 9 HZ3 TRP 9 22.215 1.903 -11.224
72 HH2 TRP 9 HH2 TRP 9 24.311 1.542 -12.495
73 H GLY 10 HN GLY 10 22.524 -1.930 -6.497
74 1HA GLY 10 HA2 GLY 10 24.748 -3.262 -6.811
75 2HA GLY 10 HA1 GLY 10 25.065 -2.761 -5.152
76 H ALA 11 HN ALA 11 21.988 -3.040 -4.816
77 HA ALA 11 HA ALA 11 22.119 -5.777 -3.780
78 1HB ALA 11 HB1 ALA 11 19.816 -3.798 -3.967
79 2HB ALA 11 HB2 ALA 11 20.915 -3.979 -2.566
80 3HB ALA 11 HB3 ALA 11 19.806 -5.307 -3.004
81 H VAL 12 HN VAL 12 20.637 -7.480 -4.427
82 HA VAL 12 HA VAL 12 20.202 -7.486 -7.335
83 HB VAL 12 HB VAL 12 21.278 -9.327 -6.065
84 1HG1 VAL 12 HG1 VAL 12 18.538 -9.785 -4.880
85 2HG1 VAL 12 HG1 VAL 12 20.007 -9.252 -4.003
86 3HG1 VAL 12 HG1 VAL 12 19.940 -10.882 -4.727
87 1HG2 VAL 12 HG2 VAL 12 18.739 -10.195 -7.448
88 2HG2 VAL 12 HG2 VAL 12 20.145 -11.230 -7.073
89 3HG2 VAL 12 HG2 VAL 12 20.328 -9.856 -8.200
90 H ASN 13 HN ASN 13 18.616 -5.662 -6.141
91 HA ASN 13 HA ASN 13 15.918 -6.614 -6.925
92 1HB ASN 13 HB2 ASN 13 16.511 -5.716 -4.138
93 2HB ASN 13 HB1 ASN 13 14.892 -5.559 -4.783
94 1HD2 ASN 13 HD2 ASN 13 16.285 -7.403 -2.651
95 2HD2 ASN 13 HD2 ASN 13 15.565 -8.893 -3.072
96 H TYR 14 HN TYR 14 18.075 -4.252 -7.309
97 HA TYR 14 HA TYR 14 16.442 -1.898 -6.803
98 1HB TYR 14 HB2 TYR 14 18.932 -1.826 -6.831
99 2HB TYR 14 HB1 TYR 14 18.887 -2.342 -8.510
100 HD1 TYR 14 HD1 TYR 14 18.164 0.505 -6.274
101 HD2 TYR 14 HD2 TYR 14 18.467 -0.815 -10.301
102 HE1 TYR 14 HE1 TYR 14 18.050 2.850 -7.012
103 HE2 TYR 14 HE2 TYR 14 18.372 1.519 -11.056
104 HH TYR 14 HH TYR 14 18.478 4.163 -8.856
105 H THR 15 HN THR 15 15.226 -0.732 -8.345
106 HA THR 15 HA THR 15 14.583 -2.150 -10.866
107 HB THR 15 HB THR 15 12.563 -0.589 -10.709
108 HG1 THR 15 HG1 THR 15 13.616 0.829 -9.298
109 1HG2 THR 15 HG2 THR 15 12.482 -3.007 -9.932
110 2HG2 THR 15 HG2 THR 15 11.466 -1.895 -8.952
111 3HG2 THR 15 HG2 THR 15 13.047 -2.433 -8.334
112 H SER 16 HN SER 16 15.792 -1.240 -12.523
113 HA SER 16 HA SER 16 16.738 1.465 -12.583
114 1HB SER 16 HB2 SER 16 17.551 -0.417 -14.135
115 2HB SER 16 HB1 SER 16 16.019 -0.287 -15.005
116 HG SER 16 HG SER 16 18.180 1.369 -15.131
117 H ASP 17 HN ASP 17 13.766 -0.018 -13.666
118 HA ASP 17 HA ASP 17 12.597 2.728 -14.017
119 1HB ASP 17 HB2 ASP 17 12.825 1.547 -16.250
120 2HB ASP 17 HB1 ASP 17 11.713 0.321 -15.631
121 H CYS 18 HN CYS 18 11.846 2.639 -11.956
122 HA CYS 18 HA CYS 18 10.525 0.645 -10.536
123 1HB CYS 18 HB2 CYS 18 11.130 3.102 -9.998
124 2HB CYS 18 HB1 CYS 18 9.503 3.379 -10.528
125 H ASN 19 HN ASN 19 8.904 3.062 -12.597
126 HA ASN 19 HA ASN 19 6.326 1.782 -12.346
127 1HB ASN 19 HB2 ASN 19 6.633 4.197 -13.113
128 2HB ASN 19 HB1 ASN 19 7.245 3.576 -14.638
129 1HD2 ASN 19 HD2 ASN 19 4.796 1.307 -13.853
130 2HD2 ASN 19 HD2 ASN 19 3.533 2.157 -14.595
131 H GLY 20 HN GLY 20 9.000 1.437 -14.602
132 1HA GLY 20 HA2 GLY 20 7.757 -0.044 -16.673
133 2HA GLY 20 HA1 GLY 20 9.450 -0.233 -16.193
134 H GLU 21 HN GLU 21 9.408 -1.176 -13.765
135 HA GLU 21 HA GLU 21 8.600 -3.920 -14.033
136 1HB GLU 21 HB2 GLU 21 10.378 -2.540 -12.457
137 2HB GLU 21 HB1 GLU 21 9.065 -2.670 -11.333
138 1HG GLU 21 HG2 GLU 21 10.483 -4.665 -10.966
139 2HG GLU 21 HG1 GLU 21 9.176 -5.284 -11.980
140 H CYS 22 HN CYS 22 7.299 -1.308 -12.045
141 HA CYS 22 HA CYS 22 5.204 -2.635 -10.778
142 1HB CYS 22 HB2 CYS 22 6.015 -0.164 -10.753
143 2HB CYS 22 HB1 CYS 22 4.813 0.088 -11.979
144 H LYS 23 HN LYS 23 5.083 -1.062 -13.961
145 HA LYS 23 HA LYS 23 2.418 -1.901 -14.613
146 1HB LYS 23 HB2 LYS 23 4.785 -0.809 -16.157
147 2HB LYS 23 HB1 LYS 23 3.640 -1.746 -17.111
148 1HG LYS 23 HG2 LYS 23 1.783 -0.330 -16.402
149 2HG LYS 23 HG1 LYS 23 2.770 0.484 -15.231
150 1HD LYS 23 HD2 LYS 23 2.500 2.006 -17.018
151 2HD LYS 23 HD1 LYS 23 4.143 1.453 -17.132
152 1HE LYS 23 HE2 LYS 23 1.898 0.183 -18.795
153 2HE LYS 23 HE1 LYS 23 2.677 1.662 -19.328
154 1HZ LYS 23 HZ1 LYS 23 4.311 0.493 -20.178
155 2HZ LYS 23 HZ2 LYS 23 3.586 -0.972 -19.728
156 3HZ LYS 23 HZ3 LYS 23 4.668 -0.214 -18.676
157 H ARG 24 HN ARG 24 5.620 -3.351 -15.109
158 HA ARG 24 HA ARG 24 4.785 -5.616 -16.573
159 1HB ARG 24 HB2 ARG 24 7.200 -4.604 -15.511
160 2HB ARG 24 HB1 ARG 24 6.955 -6.033 -14.556
161 1HG ARG 24 HG2 ARG 24 6.587 -7.195 -16.922
162 2HG ARG 24 HG1 ARG 24 7.251 -5.696 -17.547
163 1HD ARG 24 HD2 ARG 24 8.689 -7.501 -15.531
164 2HD ARG 24 HD1 ARG 24 9.023 -7.552 -17.244
165 HE ARG 24 HE ARG 24 9.531 -5.107 -15.548
166 1HH1 ARG 24 HH1 ARG 24 9.767 -5.844 -18.645
167 2HH1 ARG 24 HH1 ARG 24 11.469 -5.646 -18.844
168 1HH2 ARG 24 HH2 ARG 24 11.905 -5.418 -15.326
169 2HH2 ARG 24 HH2 ARG 24 12.787 -5.393 -16.804
170 H ARG 25 HN ARG 25 4.417 -4.764 -13.236
171 HA ARG 25 HA ARG 25 3.633 -7.530 -12.479
172 1HB ARG 25 HB2 ARG 25 3.453 -5.079 -10.731
173 2HB ARG 25 HB1 ARG 25 3.594 -6.749 -10.211
174 1HG ARG 25 HG2 ARG 25 5.994 -6.485 -11.558
175 2HG ARG 25 HG1 ARG 25 5.610 -4.812 -11.195
176 1HD ARG 25 HD2 ARG 25 5.861 -4.910 -8.979
177 2HD ARG 25 HD1 ARG 25 5.383 -6.595 -8.807
178 HE ARG 25 HE ARG 25 8.093 -5.737 -9.841
179 1HH1 ARG 25 HH1 ARG 25 6.649 -8.444 -9.909
180 2HH1 ARG 25 HH1 ARG 25 7.517 -9.368 -8.742
181 1HH2 ARG 25 HH2 ARG 25 9.117 -6.420 -7.446
182 2HH2 ARG 25 HH2 ARG 25 8.968 -8.097 -7.232
183 H GLY 26 HN GLY 26 2.083 -5.426 -14.222
184 1HA GLY 26 HA2 GLY 26 -0.206 -5.190 -14.689
185 2HA GLY 26 HA1 GLY 26 -0.544 -6.377 -13.419
186 H TYR 27 HN TYR 27 1.474 -3.830 -12.359
187 HA TYR 27 HA TYR 27 -0.722 -2.784 -10.690
188 1HB TYR 27 HB2 TYR 27 2.232 -2.078 -10.929
189 2HB TYR 27 HB1 TYR 27 1.198 -1.506 -9.670
190 HD1 TYR 27 HD1 TYR 27 3.483 -2.727 -8.730
191 HD2 TYR 27 HD2 TYR 27 0.003 -4.800 -10.083
192 HE1 TYR 27 HE1 TYR 27 4.068 -4.686 -7.387
193 HE2 TYR 27 HE2 TYR 27 0.617 -6.715 -8.751
194 HH TYR 27 HH TYR 27 2.110 -7.557 -7.178
195 H LYS 28 HN LYS 28 -0.232 -0.162 -10.438
196 HA LYS 28 HA LYS 28 -1.040 0.923 -13.086
197 1HB LYS 28 HB2 LYS 28 -1.938 2.822 -11.673
198 2HB LYS 28 HB1 LYS 28 -2.597 1.268 -11.205
199 1HG LYS 28 HG2 LYS 28 -0.541 1.263 -9.442
200 2HG LYS 28 HG1 LYS 28 -0.498 2.949 -9.839
201 1HD LYS 28 HD2 LYS 28 -3.048 1.647 -8.854
202 2HD LYS 28 HD1 LYS 28 -1.825 2.162 -7.734
203 1HE LYS 28 HE2 LYS 28 -2.117 4.485 -9.278
204 2HE LYS 28 HE1 LYS 28 -3.728 3.810 -9.410
205 1HZ LYS 28 HZ1 LYS 28 -2.553 5.177 -7.271
206 2HZ LYS 28 HZ2 LYS 28 -2.916 3.623 -6.706
207 3HZ LYS 28 HZ3 LYS 28 -4.151 4.624 -7.347
208 H GLY 29 HN GLY 29 1.458 1.315 -10.628
209 1HA GLY 29 HA2 GLY 29 3.464 2.196 -12.250
210 2HA GLY 29 HA1 GLY 29 2.624 3.696 -11.867
211 H GLY 30 HN GLY 30 5.289 3.457 -10.997
212 1HA GLY 30 HA2 GLY 30 4.988 3.582 -8.136
213 2HA GLY 30 HA1 GLY 30 5.961 2.206 -8.688
214 H HIS 31 HN HIS 31 7.413 3.710 -7.287
215 HA HIS 31 HA HIS 31 9.470 4.837 -8.930
216 1HB HIS 31 HB2 HIS 31 9.100 7.290 -7.845
217 2HB HIS 31 HB1 HIS 31 8.238 6.834 -9.320
218 HD1 HIS 31 HD1 HIS 31 5.748 6.378 -9.053
219 HD2 HIS 31 HD2 HIS 31 7.527 7.126 -5.385
220 HE1 HIS 31 HE1 HIS 31 3.859 6.579 -7.387
221 HE2 HIS 31 HE2 HIS 31 5.008 7.009 -5.205
222 H CYS 32 HN CYS 32 11.061 6.163 -7.490
223 HA CYS 32 HA CYS 32 11.506 4.585 -5.074
224 1HB CYS 32 HB2 CYS 32 13.291 5.527 -6.631
225 2HB CYS 32 HB1 CYS 32 12.922 7.103 -5.985
226 H GLY 33 HN GLY 33 11.862 5.707 -2.956
227 1HA GLY 33 HA2 GLY 33 10.839 8.301 -2.347
228 2HA GLY 33 HA1 GLY 33 9.500 7.178 -2.207
229 H SER 34 HN SER 34 12.923 7.531 -0.994
230 HA SER 34 HA SER 34 11.987 6.960 1.676
231 1HB SER 34 HB2 SER 34 13.841 5.021 0.144
232 2HB SER 34 HB1 SER 34 13.462 4.875 1.867
233 HG SER 34 HG SER 34 11.158 5.082 0.817
234 H PHE 35 HN PHE 35 14.739 6.310 2.436
235 HA PHE 35 HA PHE 35 15.814 9.076 2.304
236 1HB PHE 35 HB2 PHE 35 15.791 7.528 4.452
237 2HB PHE 35 HB1 PHE 35 17.245 6.832 3.742
238 HD1 PHE 35 HD1 PHE 35 15.702 10.125 4.620
239 HD2 PHE 35 HD2 PHE 35 19.325 7.933 4.112
240 HE1 PHE 35 HE1 PHE 35 16.979 12.040 5.467
241 HE2 PHE 35 HE2 PHE 35 20.594 9.851 4.960
242 HZ PHE 35 HZ PHE 35 19.428 11.909 5.643
243 H ALA 36 HN ALA 36 17.547 9.613 1.198
244 HA ALA 36 HA ALA 36 19.040 9.512 -0.661
245 1HB ALA 36 HB1 ALA 36 20.423 8.911 1.282
246 2HB ALA 36 HB2 ALA 36 20.938 8.026 -0.186
247 3HB ALA 36 HB3 ALA 36 19.955 7.195 1.052
248 H ASN 37 HN ASN 37 16.572 8.012 -1.117
249 HA ASN 37 HA ASN 37 15.710 6.457 -2.754
250 1HB ASN 37 HB2 ASN 37 18.478 6.432 -3.960
251 2HB ASN 37 HB1 ASN 37 16.940 6.293 -4.773
252 1HD2 ASN 37 HD2 ASN 37 19.367 8.465 -4.291
253 2HD2 ASN 37 HD2 ASN 37 18.475 9.902 -4.482
254 H VAL 38 HN VAL 38 15.486 4.773 -1.187
255 HA VAL 38 HA VAL 38 17.546 2.631 -1.499
256 HB VAL 38 HB VAL 38 16.903 1.949 0.913
257 1HG1 VAL 38 HG1 VAL 38 19.051 3.023 0.430
258 2HG1 VAL 38 HG1 VAL 38 18.385 3.688 1.944
259 3HG1 VAL 38 HG1 VAL 38 18.252 4.612 0.409
260 1HG2 VAL 38 HG2 VAL 38 14.871 3.265 1.110
261 2HG2 VAL 38 HG2 VAL 38 15.841 4.775 0.947
262 3HG2 VAL 38 HG2 VAL 38 16.058 3.717 2.365
263 H ASN 39 HN ASN 39 14.090 3.322 -1.312
264 HA ASN 39 HA ASN 39 13.626 0.512 -2.160
265 1HB ASN 39 HB2 ASN 39 12.281 2.044 0.078
266 2HB ASN 39 HB1 ASN 39 11.389 0.816 -0.797
267 1HD2 ASN 39 HD2 ASN 39 13.166 1.078 2.025
268 2HD2 ASN 39 HD2 ASN 39 13.748 -0.518 2.077
269 H CYS 40 HN CYS 40 12.050 0.204 -3.759
270 HA CYS 40 HA CYS 40 10.933 2.734 -4.884
271 1HB CYS 40 HB2 CYS 40 12.479 0.822 -6.208
272 2HB CYS 40 HB1 CYS 40 10.848 0.321 -6.597
273 H TRP 41 HN TRP 41 8.910 2.995 -4.487
274 HA TRP 41 HA TRP 41 7.220 0.646 -3.730
275 1HB TRP 41 HB2 TRP 41 6.565 3.566 -3.215
276 2HB TRP 41 HB1 TRP 41 5.882 2.159 -2.431
277 HD1 TRP 41 HD1 TRP 41 9.244 4.163 -2.587
278 HE1 TRP 41 HE1 TRP 41 10.433 3.566 -0.447
279 HE3 TRP 41 HE3 TRP 41 6.109 0.681 -0.778
280 HZ2 TRP 41 HZ2 TRP 41 10.169 1.810 1.813
281 HZ3 TRP 41 HZ3 TRP 41 6.563 -0.470 1.372
282 HH2 TRP 41 HH2 TRP 41 8.596 0.088 2.668
283 H CYS 42 HN CYS 42 5.036 0.578 -4.461
284 HA CYS 42 HA CYS 42 4.611 1.904 -7.096
285 1HB CYS 42 HB2 CYS 42 3.985 -0.806 -6.030
286 2HB CYS 42 HB1 CYS 42 2.884 -0.110 -7.167
287 H GLU 43 HN GLU 43 2.271 2.194 -7.573
288 HA GLU 43 HA GLU 43 0.944 3.523 -5.310
289 1HB GLU 43 HB2 GLU 43 0.673 3.379 -8.288
290 2HB GLU 43 HB1 GLU 43 -0.726 3.850 -7.365
291 1HG GLU 43 HG2 GLU 43 1.629 5.405 -6.581
292 2HG GLU 43 HG1 GLU 43 1.280 5.551 -8.306
293 H THR 44 HN THR 44 0.531 0.673 -7.229
294 HA THR 44 HA THR 44 -2.168 0.055 -6.593
295 HB THR 44 HB THR 44 -1.060 -1.162 -8.366
296 HG1 THR 44 HG1 THR 44 -2.271 -2.226 -6.441
297 1HG2 THR 44 HG2 THR 44 1.239 -1.062 -7.720
298 2HG2 THR 44 HG2 THR 44 0.742 -2.803 -7.645
299 3HG2 THR 44 HG2 THR 44 0.919 -1.835 -6.163
Start of MODEL 10
1 1H ASP 1 HT1 ASP 1 0.841 1.989 0.189
2 2H ASP 1 HT2 ASP 1 0.604 0.347 -0.069
3 3H ASP 1 HT3 ASP 1 -0.164 1.478 -1.108
4 HA ASP 1 HA ASP 1 1.585 1.494 -2.429
5 1HB ASP 1 HB2 ASP 1 3.830 2.156 -1.454
6 2HB ASP 1 HB1 ASP 1 2.559 3.219 -0.876
7 H LYS 2 HN LYS 2 2.914 -0.062 -3.329
8 HA LYS 2 HA LYS 2 3.382 -2.530 -1.643
9 1HB LYS 2 HB2 LYS 2 1.739 -2.606 -3.720
10 2HB LYS 2 HB1 LYS 2 3.203 -2.601 -4.671
11 1HG LYS 2 HG2 LYS 2 3.045 -4.905 -4.409
12 2HG LYS 2 HG1 LYS 2 3.970 -4.560 -2.968
13 1HD LYS 2 HD2 LYS 2 2.174 -5.809 -2.028
14 2HD LYS 2 HD1 LYS 2 1.583 -4.180 -1.838
15 1HE LYS 2 HE2 LYS 2 -0.252 -5.277 -2.878
16 2HE LYS 2 HE1 LYS 2 0.498 -4.410 -4.199
17 1HZ LYS 2 HZ1 LYS 2 0.984 -6.378 -5.246
18 2HZ LYS 2 HZ2 LYS 2 0.037 -7.134 -4.048
19 3HZ LYS 2 HZ3 LYS 2 1.713 -6.975 -3.866
20 H LEU 3 HN LEU 3 5.507 -2.764 -1.178
21 HA LEU 3 HA LEU 3 7.578 -1.452 -2.771
22 1HB LEU 3 HB2 LEU 3 7.740 -1.754 -0.285
23 2HB LEU 3 HB1 LEU 3 7.755 -3.490 -0.519
24 HG LEU 3 HG LEU 3 9.911 -3.339 -1.743
25 1HD1 LEU 3 HD1 LEU 3 9.686 -1.076 -2.675
26 2HD1 LEU 3 HD1 LEU 3 11.168 -1.260 -1.709
27 3HD1 LEU 3 HD1 LEU 3 9.745 -0.399 -1.021
28 1HD2 LEU 3 HD2 LEU 3 9.851 -1.913 0.926
29 2HD2 LEU 3 HD2 LEU 3 11.283 -2.697 0.194
30 3HD2 LEU 3 HD2 LEU 3 9.875 -3.686 0.665
31 H ILE 4 HN ILE 4 8.208 -2.271 -4.658
32 HA ILE 4 HA ILE 4 8.064 -5.253 -5.087
33 HB ILE 4 HB ILE 4 7.962 -4.788 -7.438
34 1HG1 ILE 4 HG1 ILE 4 7.461 -1.989 -7.682
35 2HG1 ILE 4 HG1 ILE 4 8.873 -2.097 -6.664
36 1HG2 ILE 4 HG2 ILE 4 5.887 -4.858 -6.240
37 2HG2 ILE 4 HG2 ILE 4 5.798 -3.666 -7.574
38 3HG2 ILE 4 HG2 ILE 4 5.993 -3.107 -5.889
39 1HD1 ILE 4 HD1 ILE 4 8.496 -3.527 -9.301
40 2HD1 ILE 4 HD2 ILE 4 9.934 -3.655 -8.231
41 3HD1 ILE 4 HD3 ILE 4 9.509 -2.096 -9.004
42 H GLY 5 HN GLY 5 10.284 -2.713 -4.626
43 1HA GLY 5 HA2 GLY 5 12.559 -4.491 -4.725
44 2HA GLY 5 HA1 GLY 5 12.526 -3.478 -6.164
45 H SER 6 HN SER 6 14.618 -3.072 -4.587
46 HA SER 6 HA SER 6 14.073 -0.877 -2.696
47 1HB SER 6 HB2 SER 6 16.047 -2.959 -2.783
48 2HB SER 6 HB1 SER 6 16.932 -1.478 -3.048
49 HG SER 6 HG SER 6 15.162 -1.083 -0.963
50 H CYS 7 HN CYS 7 15.932 0.957 -2.869
51 HA CYS 7 HA CYS 7 16.292 1.627 -5.776
52 1HB CYS 7 HB2 CYS 7 14.269 2.688 -4.613
53 2HB CYS 7 HB1 CYS 7 15.460 3.592 -3.692
54 H VAL 8 HN VAL 8 18.131 0.515 -4.000
55 HA VAL 8 HA VAL 8 20.149 2.708 -3.780
56 HB VAL 8 HB VAL 8 19.993 0.304 -1.917
57 1HG1 VAL 8 HG1 VAL 8 22.170 1.396 -2.057
58 2HG1 VAL 8 HG1 VAL 8 21.425 1.685 -0.463
59 3HG1 VAL 8 HG1 VAL 8 21.406 2.978 -1.703
60 1HG2 VAL 8 HG2 VAL 8 17.961 1.581 -1.617
61 2HG2 VAL 8 HG2 VAL 8 18.940 3.072 -1.441
62 3HG2 VAL 8 HG2 VAL 8 19.041 1.779 -0.209
63 H TRP 9 HN TRP 9 21.220 2.214 -5.675
64 HA TRP 9 HA TRP 9 21.824 -0.289 -6.780
65 1HB TRP 9 HB2 TRP 9 22.462 1.840 -7.986
66 2HB TRP 9 HB1 TRP 9 23.740 2.103 -6.796
67 HD1 TRP 9 HD1 TRP 9 26.043 0.840 -7.197
68 HE1 TRP 9 HE1 TRP 9 26.681 -0.934 -8.858
69 HE3 TRP 9 HE3 TRP 9 21.576 -0.146 -9.202
70 HZ2 TRP 9 HZ2 TRP 9 25.495 -2.652 -10.872
71 HZ3 TRP 9 HZ3 TRP 9 21.284 -1.838 -10.987
72 HH2 TRP 9 HH2 TRP 9 23.255 -3.095 -11.824
73 H GLY 10 HN GLY 10 22.516 -1.957 -5.578
74 1HA GLY 10 HA2 GLY 10 25.042 -2.617 -4.929
75 2HA GLY 10 HA1 GLY 10 24.623 -1.617 -3.534
76 H ALA 11 HN ALA 11 21.808 -2.455 -3.643
77 HA ALA 11 HA ALA 11 22.141 -4.999 -2.146
78 1HB ALA 11 HB1 ALA 11 20.717 -3.207 -1.241
79 2HB ALA 11 HB2 ALA 11 19.747 -4.670 -1.568
80 3HB ALA 11 HB3 ALA 11 19.690 -3.289 -2.706
81 H VAL 12 HN VAL 12 20.724 -6.873 -2.606
82 HA VAL 12 HA VAL 12 20.637 -7.383 -5.497
83 HB VAL 12 HB VAL 12 20.018 -9.725 -4.768
84 1HG1 VAL 12 HG1 VAL 12 22.350 -9.050 -4.990
85 2HG1 VAL 12 HG1 VAL 12 22.149 -10.221 -3.655
86 3HG1 VAL 12 HG1 VAL 12 22.364 -8.480 -3.296
87 1HG2 VAL 12 HG2 VAL 12 20.260 -8.579 -1.960
88 2HG2 VAL 12 HG2 VAL 12 20.069 -10.298 -2.410
89 3HG2 VAL 12 HG2 VAL 12 18.757 -9.138 -2.759
90 H ASN 13 HN ASN 13 18.842 -5.437 -4.924
91 HA ASN 13 HA ASN 13 16.395 -6.617 -6.014
92 1HB ASN 13 HB2 ASN 13 16.601 -6.108 -3.121
93 2HB ASN 13 HB1 ASN 13 15.199 -5.304 -3.808
94 1HD2 ASN 13 HD2 ASN 13 15.904 -8.131 -2.305
95 2HD2 ASN 13 HD2 ASN 13 14.792 -9.127 -3.129
96 H TYR 14 HN TYR 14 18.394 -4.284 -6.466
97 HA TYR 14 HA TYR 14 16.765 -1.911 -6.185
98 1HB TYR 14 HB2 TYR 14 19.187 -1.728 -6.266
99 2HB TYR 14 HB1 TYR 14 19.223 -2.521 -7.837
100 HD1 TYR 14 HD1 TYR 14 18.717 -1.296 -9.880
101 HD2 TYR 14 HD2 TYR 14 18.363 0.585 -6.103
102 HE1 TYR 14 HE1 TYR 14 18.528 0.895 -10.971
103 HE2 TYR 14 HE2 TYR 14 18.148 2.794 -7.159
104 HH TYR 14 HH TYR 14 18.694 3.836 -9.307
105 H THR 15 HN THR 15 15.563 -0.827 -7.733
106 HA THR 15 HA THR 15 14.776 -2.419 -10.107
107 HB THR 15 HB THR 15 12.846 -0.435 -9.822
108 HG1 THR 15 HG1 THR 15 13.146 0.348 -7.867
109 1HG2 THR 15 HG2 THR 15 11.564 -2.119 -8.588
110 2HG2 THR 15 HG2 THR 15 13.060 -3.010 -8.206
111 3HG2 THR 15 HG2 THR 15 12.471 -2.940 -9.897
112 H SER 16 HN SER 16 15.733 -1.781 -11.903
113 HA SER 16 HA SER 16 16.876 0.850 -12.298
114 1HB SER 16 HB2 SER 16 17.617 -1.263 -13.557
115 2HB SER 16 HB1 SER 16 16.088 -1.204 -14.453
116 HG SER 16 HG SER 16 18.281 0.216 -14.928
117 H ASP 17 HN ASP 17 13.906 -0.674 -13.559
118 HA ASP 17 HA ASP 17 12.899 2.111 -14.084
119 1HB ASP 17 HB2 ASP 17 13.238 0.574 -16.137
120 2HB ASP 17 HB1 ASP 17 11.878 -0.360 -15.500
121 H CYS 18 HN CYS 18 12.151 2.295 -12.071
122 HA CYS 18 HA CYS 18 10.672 0.654 -10.395
123 1HB CYS 18 HB2 CYS 18 11.592 3.121 -10.323
124 2HB CYS 18 HB1 CYS 18 9.948 3.464 -10.729
125 H ASN 19 HN ASN 19 9.113 3.025 -12.565
126 HA ASN 19 HA ASN 19 6.528 1.770 -12.258
127 1HB ASN 19 HB2 ASN 19 6.854 4.228 -12.865
128 2HB ASN 19 HB1 ASN 19 7.398 3.726 -14.449
129 1HD2 ASN 19 HD2 ASN 19 4.909 1.501 -13.805
130 2HD2 ASN 19 HD2 ASN 19 3.634 2.438 -14.410
131 H GLY 20 HN GLY 20 9.180 1.358 -14.519
132 1HA GLY 20 HA2 GLY 20 7.773 0.035 -16.623
133 2HA GLY 20 HA1 GLY 20 9.485 -0.210 -16.236
134 H GLU 21 HN GLU 21 9.500 -1.257 -13.811
135 HA GLU 21 HA GLU 21 8.639 -3.966 -14.213
136 1HB GLU 21 HB2 GLU 21 10.553 -3.260 -12.721
137 2HB GLU 21 HB1 GLU 21 9.431 -2.578 -11.587
138 1HG GLU 21 HG2 GLU 21 10.188 -4.965 -10.968
139 2HG GLU 21 HG1 GLU 21 8.450 -4.749 -11.063
140 H CYS 22 HN CYS 22 7.495 -1.439 -12.068
141 HA CYS 22 HA CYS 22 5.292 -2.643 -10.821
142 1HB CYS 22 HB2 CYS 22 6.306 -0.253 -10.754
143 2HB CYS 22 HB1 CYS 22 5.115 0.118 -11.945
144 H LYS 23 HN LYS 23 5.314 -1.015 -13.961
145 HA LYS 23 HA LYS 23 2.631 -1.543 -14.737
146 1HB LYS 23 HB2 LYS 23 4.515 -0.025 -15.927
147 2HB LYS 23 HB1 LYS 23 4.947 -1.499 -16.750
148 1HG LYS 23 HG2 LYS 23 3.390 -0.452 -18.185
149 2HG LYS 23 HG1 LYS 23 2.457 -1.722 -17.397
150 1HD LYS 23 HD2 LYS 23 2.046 0.338 -15.583
151 2HD LYS 23 HD1 LYS 23 2.321 1.295 -17.016
152 1HE LYS 23 HE2 LYS 23 0.153 -0.789 -16.545
153 2HE LYS 23 HE1 LYS 23 -0.048 0.927 -16.861
154 1HZ LYS 23 HZ1 LYS 23 0.086 -1.160 -18.727
155 2HZ LYS 23 HZ2 LYS 23 1.462 -0.196 -18.950
156 3HZ LYS 23 HZ3 LYS 23 -0.084 0.496 -19.050
157 H ARG 24 HN ARG 24 5.623 -3.347 -15.386
158 HA ARG 24 HA ARG 24 4.474 -5.497 -16.786
159 1HB ARG 24 HB2 ARG 24 6.944 -4.682 -16.103
160 2HB ARG 24 HB1 ARG 24 6.718 -5.805 -14.798
161 1HG ARG 24 HG2 ARG 24 6.050 -6.772 -17.546
162 2HG ARG 24 HG1 ARG 24 7.728 -6.339 -17.279
163 1HD ARG 24 HD2 ARG 24 6.126 -8.206 -15.433
164 2HD ARG 24 HD1 ARG 24 7.247 -8.808 -16.643
165 HE ARG 24 HE ARG 24 8.121 -6.994 -14.353
166 1HH1 ARG 24 HH2 ARG 24 9.444 -8.210 -16.999
167 2HH1 ARG 24 HH2 ARG 24 10.689 -9.145 -16.253
168 1HH2 ARG 24 HH1 ARG 24 9.084 -8.526 -13.107
169 2HH2 ARG 24 HH1 ARG 24 10.434 -9.409 -13.738
170 H ARG 25 HN ARG 25 4.324 -4.640 -13.428
171 HA ARG 25 HA ARG 25 3.336 -7.327 -12.659
172 1HB ARG 25 HB2 ARG 25 3.269 -4.916 -10.868
173 2HB ARG 25 HB1 ARG 25 3.475 -6.574 -10.381
174 1HG ARG 25 HG2 ARG 25 5.710 -5.970 -12.088
175 2HG ARG 25 HG1 ARG 25 5.430 -4.532 -11.175
176 1HD ARG 25 HD2 ARG 25 6.805 -5.498 -9.656
177 2HD ARG 25 HD1 ARG 25 5.364 -6.373 -9.142
178 HE ARG 25 HE ARG 25 7.290 -7.359 -11.232
179 1HH1 ARG 25 HH2 ARG 25 4.567 -8.483 -10.851
180 2HH1 ARG 25 HH2 ARG 25 4.819 -9.903 -9.889
181 1HH2 ARG 25 HH1 ARG 25 8.109 -8.663 -9.135
182 2HH2 ARG 25 HH1 ARG 25 7.059 -9.990 -8.780
183 H GLY 26 HN GLY 26 1.934 -5.084 -14.356
184 1HA GLY 26 HA2 GLY 26 -0.332 -4.643 -14.779
185 2HA GLY 26 HA1 GLY 26 -0.741 -5.891 -13.592
186 H TYR 27 HN TYR 27 1.448 -3.458 -12.487
187 HA TYR 27 HA TYR 27 -0.648 -2.406 -10.647
188 1HB TYR 27 HB2 TYR 27 2.361 -2.063 -10.832
189 2HB TYR 27 HB1 TYR 27 1.381 -1.281 -9.639
190 HD1 TYR 27 HD1 TYR 27 3.398 -2.829 -8.532
191 HD2 TYR 27 HD2 TYR 27 -0.333 -4.330 -9.979
192 HE1 TYR 27 HE1 TYR 27 3.557 -4.756 -7.030
193 HE2 TYR 27 HE2 TYR 27 -0.162 -6.210 -8.491
194 HH TYR 27 HH TYR 27 2.163 -7.420 -7.294
195 H LYS 28 HN LYS 28 -0.952 -0.092 -10.400
196 HA LYS 28 HA LYS 28 -1.308 1.269 -12.905
197 1HB LYS 28 HB2 LYS 28 -2.023 3.172 -11.518
198 2HB LYS 28 HB1 LYS 28 -2.762 1.677 -10.974
199 1HG LYS 28 HG2 LYS 28 -0.330 1.867 -9.479
200 2HG LYS 28 HG1 LYS 28 -0.903 3.514 -9.571
201 1HD LYS 28 HD2 LYS 28 -2.585 1.152 -8.728
202 2HD LYS 28 HD1 LYS 28 -1.771 2.158 -7.574
203 1HE LYS 28 HE2 LYS 28 -3.099 4.132 -8.255
204 2HE LYS 28 HE1 LYS 28 -3.815 3.253 -9.594
205 1HZ LYS 28 HZ1 LYS 28 -4.705 3.349 -6.919
206 2HZ LYS 28 HZ2 LYS 28 -4.200 1.779 -7.262
207 3HZ LYS 28 HZ3 LYS 28 -5.385 2.475 -8.228
208 H GLY 29 HN GLY 29 1.282 1.299 -10.542
209 1HA GLY 29 HA2 GLY 29 3.352 2.103 -12.040
210 2HA GLY 29 HA1 GLY 29 2.540 3.657 -11.781
211 H GLY 30 HN GLY 30 5.033 3.490 -10.800
212 1HA GLY 30 HA2 GLY 30 4.652 3.597 -7.904
213 2HA GLY 30 HA1 GLY 30 5.833 2.444 -8.508
214 H HIS 31 HN HIS 31 7.347 3.716 -7.255
215 HA HIS 31 HA HIS 31 8.862 5.527 -8.924
216 1HB HIS 31 HB2 HIS 31 8.610 7.516 -7.183
217 2HB HIS 31 HB1 HIS 31 7.245 7.257 -8.263
218 HD1 HIS 31 HD1 HIS 31 5.071 5.955 -7.051
219 HD2 HIS 31 HD2 HIS 31 8.234 6.762 -4.425
220 HE1 HIS 31 HE1 HIS 31 4.233 5.557 -4.799
221 HE2 HIS 31 HE2 HIS 31 6.135 6.048 -3.270
222 H CYS 32 HN CYS 32 10.633 6.623 -7.499
223 HA CYS 32 HA CYS 32 11.702 4.537 -5.696
224 1HB CYS 32 HB2 CYS 32 13.202 5.719 -7.287
225 2HB CYS 32 HB1 CYS 32 12.817 7.241 -6.525
226 H GLY 33 HN GLY 33 12.332 5.179 -3.487
227 1HA GLY 33 HA2 GLY 33 10.223 6.390 -2.044
228 2HA GLY 33 HA1 GLY 33 11.801 6.104 -1.374
229 H SER 34 HN SER 34 13.204 7.928 -1.199
230 HA SER 34 HA SER 34 12.568 10.439 -2.541
231 1HB SER 34 HB2 SER 34 12.126 10.370 0.498
232 2HB SER 34 HB1 SER 34 12.005 11.789 -0.530
233 HG SER 34 HG SER 34 10.371 10.125 -1.650
234 H PHE 35 HN PHE 35 14.009 9.760 0.693
235 HA PHE 35 HA PHE 35 16.235 11.501 0.010
236 1HB PHE 35 HB2 PHE 35 15.603 11.362 2.333
237 2HB PHE 35 HB1 PHE 35 15.813 9.611 2.344
238 HD1 PHE 35 HD1 PHE 35 18.095 8.626 2.180
239 HD2 PHE 35 HD2 PHE 35 17.530 12.840 2.572
240 HE1 PHE 35 HE1 PHE 35 20.456 8.892 2.799
241 HE2 PHE 35 HE2 PHE 35 19.888 13.091 3.181
242 HZ PHE 35 HZ PHE 35 21.356 11.125 3.298
243 H ALA 36 HN ALA 36 17.988 11.042 -0.858
244 HA ALA 36 HA ALA 36 19.483 9.870 -2.282
245 1HB ALA 36 HB1 ALA 36 20.878 8.355 -0.958
246 2HB ALA 36 HB2 ALA 36 19.634 8.334 0.316
247 3HB ALA 36 HB3 ALA 36 20.505 9.857 -0.057
248 H ASN 37 HN ASN 37 16.697 8.742 -2.435
249 HA ASN 37 HA ASN 37 15.666 6.831 -3.440
250 1HB ASN 37 HB2 ASN 37 18.403 5.899 -4.322
251 2HB ASN 37 HB1 ASN 37 16.916 5.833 -5.205
252 1HD2 ASN 37 HD2 ASN 37 19.774 7.608 -4.746
253 2HD2 ASN 37 HD2 ASN 37 19.387 8.934 -5.747
254 H VAL 38 HN VAL 38 15.055 5.627 -1.558
255 HA VAL 38 HA VAL 38 17.073 3.614 -0.630
256 HB VAL 38 HB VAL 38 15.679 3.448 1.454
257 1HG1 VAL 38 HG1 VAL 38 17.703 4.772 1.311
258 2HG1 VAL 38 HG1 VAL 38 16.507 5.586 2.364
259 3HG1 VAL 38 HG1 VAL 38 16.774 6.168 0.695
260 1HG2 VAL 38 HG2 VAL 38 14.157 5.265 2.012
261 2HG2 VAL 38 HG2 VAL 38 13.554 4.340 0.612
262 3HG2 VAL 38 HG2 VAL 38 14.330 5.939 0.367
263 H ASN 39 HN ASN 39 13.607 3.878 -1.529
264 HA ASN 39 HA ASN 39 13.690 1.047 -2.292
265 1HB ASN 39 HB2 ASN 39 11.736 2.256 -0.344
266 2HB ASN 39 HB1 ASN 39 11.551 0.700 -1.099
267 1HD2 ASN 39 HD2 ASN 39 12.645 2.103 1.663
268 2HD2 ASN 39 HD2 ASN 39 13.812 0.947 2.121
269 H CYS 40 HN CYS 40 12.151 0.447 -3.908
270 HA CYS 40 HA CYS 40 10.892 2.777 -5.239
271 1HB CYS 40 HB2 CYS 40 12.131 0.293 -6.141
272 2HB CYS 40 HB1 CYS 40 10.518 0.434 -6.792
273 H TRP 41 HN TRP 41 8.914 3.136 -4.533
274 HA TRP 41 HA TRP 41 7.249 0.836 -3.592
275 1HB TRP 41 HB2 TRP 41 6.565 3.756 -3.286
276 2HB TRP 41 HB1 TRP 41 5.905 2.404 -2.400
277 HD1 TRP 41 HD1 TRP 41 9.166 4.566 -2.610
278 HE1 TRP 41 HE1 TRP 41 10.314 4.100 -0.460
279 HE3 TRP 41 HE3 TRP 41 6.228 0.906 -0.786
280 HZ2 TRP 41 HZ2 TRP 41 10.129 2.377 1.880
281 HZ3 TRP 41 HZ3 TRP 41 6.703 -0.160 1.370
282 HH2 TRP 41 HH2 TRP 41 8.673 0.572 2.723
283 H CYS 42 HN CYS 42 5.206 0.396 -4.442
284 HA CYS 42 HA CYS 42 4.527 1.882 -6.924
285 1HB CYS 42 HB2 CYS 42 4.166 -0.958 -6.043
286 2HB CYS 42 HB1 CYS 42 3.083 -0.281 -7.213
287 H GLU 43 HN GLU 43 2.179 2.047 -7.312
288 HA GLU 43 HA GLU 43 0.838 2.864 -4.838
289 1HB GLU 43 HB2 GLU 43 0.344 3.205 -7.811
290 2HB GLU 43 HB1 GLU 43 -0.827 3.705 -6.617
291 1HG GLU 43 HG2 GLU 43 0.301 5.722 -6.952
292 2HG GLU 43 HG1 GLU 43 1.273 5.099 -5.652
293 H THR 44 HN THR 44 0.208 0.639 -7.507
294 HA THR 44 HA THR 44 -1.442 -1.045 -7.778
295 HB THR 44 HB THR 44 -1.173 -2.833 -6.003
296 HG1 THR 44 HG1 THR 44 -1.018 -0.804 -4.542
297 1HG2 THR 44 HG2 THR 44 1.298 -2.962 -6.124
298 2HG2 THR 44 HG2 THR 44 1.393 -1.204 -6.384
299 3HG2 THR 44 HG2 THR 44 0.638 -2.246 -7.631
Start of MODEL 11
1 1H ASP 1 HT1 ASP 1 0.283 2.191 -0.881
2 2H ASP 1 HT2 ASP 1 1.409 2.866 0.183
3 3H ASP 1 HT3 ASP 1 1.155 1.178 0.206
4 HA ASP 1 HA ASP 1 1.836 1.971 -2.377
5 1HB ASP 1 HB2 ASP 1 3.975 2.714 -0.322
6 2HB ASP 1 HB1 ASP 1 4.031 2.784 -2.076
7 H LYS 2 HN LYS 2 2.667 0.178 -3.180
8 HA LYS 2 HA LYS 2 3.484 -1.968 -1.267
9 1HB LYS 2 HB2 LYS 2 2.024 -1.843 -3.754
10 2HB LYS 2 HB1 LYS 2 3.423 -2.840 -4.037
11 1HG LYS 2 HG2 LYS 2 1.638 -3.221 -1.598
12 2HG LYS 2 HG1 LYS 2 1.204 -3.934 -3.137
13 1HD LYS 2 HD2 LYS 2 3.269 -5.224 -3.212
14 2HD LYS 2 HD1 LYS 2 3.943 -4.372 -1.833
15 1HE LYS 2 HE2 LYS 2 2.227 -5.340 -0.342
16 2HE LYS 2 HE1 LYS 2 1.446 -6.142 -1.699
17 1HZ LYS 2 HZ1 LYS 2 4.177 -6.843 -1.732
18 2HZ LYS 2 HZ2 LYS 2 2.847 -7.855 -1.420
19 3HZ LYS 2 HZ3 LYS 2 3.619 -7.063 -0.153
20 H LEU 3 HN LEU 3 5.508 -3.081 -1.443
21 HA LEU 3 HA LEU 3 7.575 -1.524 -2.947
22 1HB LEU 3 HB2 LEU 3 7.816 -1.654 -0.482
23 2HB LEU 3 HB1 LEU 3 7.857 -3.402 -0.579
24 HG LEU 3 HG LEU 3 9.943 -3.312 -1.922
25 1HD1 LEU 3 HD1 LEU 3 11.121 -1.160 -2.132
26 2HD1 LEU 3 HD1 LEU 3 9.663 -0.312 -1.543
27 3HD1 LEU 3 HD1 LEU 3 9.619 -1.222 -3.088
28 1HD2 LEU 3 HD2 LEU 3 11.447 -2.446 -0.209
29 2HD2 LEU 3 HD2 LEU 3 10.120 -3.400 0.508
30 3HD2 LEU 3 HD2 LEU 3 10.072 -1.611 0.574
31 H ILE 4 HN ILE 4 8.000 -2.415 -4.836
32 HA ILE 4 HA ILE 4 7.981 -5.411 -5.128
33 HB ILE 4 HB ILE 4 7.912 -5.067 -7.464
34 1HG1 ILE 4 HG1 ILE 4 7.472 -2.204 -7.722
35 2HG1 ILE 4 HG1 ILE 4 9.017 -2.450 -6.947
36 1HG2 ILE 4 HG2 ILE 4 5.927 -3.219 -6.116
37 2HG2 ILE 4 HG2 ILE 4 5.793 -4.995 -6.309
38 3HG2 ILE 4 HG2 ILE 4 5.791 -3.924 -7.749
39 1HD1 ILE 4 HD1 ILE 4 8.033 -3.847 -9.446
40 2HD1 ILE 4 HD2 ILE 4 9.605 -4.159 -8.626
41 3HD1 ILE 4 HD3 ILE 4 9.264 -2.569 -9.358
42 H GLY 5 HN GLY 5 10.176 -2.734 -4.994
43 1HA GLY 5 HA2 GLY 5 12.464 -4.528 -5.055
44 2HA GLY 5 HA1 GLY 5 12.427 -3.519 -6.482
45 H SER 6 HN SER 6 14.515 -3.123 -5.026
46 HA SER 6 HA SER 6 14.125 -1.090 -2.926
47 1HB SER 6 HB2 SER 6 15.915 -2.911 -2.680
48 2HB SER 6 HB1 SER 6 16.699 -2.253 -4.108
49 HG SER 6 HG SER 6 16.183 -0.600 -1.866
50 H CYS 7 HN CYS 7 16.177 0.607 -3.274
51 HA CYS 7 HA CYS 7 15.951 1.733 -6.037
52 1HB CYS 7 HB2 CYS 7 14.237 2.774 -4.545
53 2HB CYS 7 HB1 CYS 7 15.540 3.311 -3.518
54 H VAL 8 HN VAL 8 18.041 0.356 -4.458
55 HA VAL 8 HA VAL 8 20.121 2.510 -4.400
56 HB VAL 8 HB VAL 8 20.302 -0.221 -3.051
57 1HG1 VAL 8 HG1 VAL 8 22.410 0.972 -3.389
58 2HG1 VAL 8 HG1 VAL 8 21.986 0.897 -1.656
59 3HG1 VAL 8 HG1 VAL 8 21.723 2.410 -2.579
60 1HG2 VAL 8 HG2 VAL 8 18.359 0.939 -2.153
61 2HG2 VAL 8 HG2 VAL 8 19.374 2.385 -1.850
62 3HG2 VAL 8 HG2 VAL 8 19.674 0.861 -0.953
63 H TRP 9 HN TRP 9 20.592 2.390 -6.567
64 HA TRP 9 HA TRP 9 21.037 0.254 -8.299
65 1HB TRP 9 HB2 TRP 9 21.440 2.991 -8.386
66 2HB TRP 9 HB1 TRP 9 23.086 2.419 -8.498
67 HD1 TRP 9 HD1 TRP 9 20.563 3.564 -10.660
68 HE1 TRP 9 HE1 TRP 9 20.720 2.455 -12.903
69 HE3 TRP 9 HE3 TRP 9 23.500 -0.410 -9.571
70 HZ2 TRP 9 HZ2 TRP 9 21.880 0.175 -14.196
71 HZ3 TRP 9 HZ3 TRP 9 24.106 -2.041 -11.292
72 HH2 TRP 9 HH2 TRP 9 23.310 -1.760 -13.610
73 H GLY 10 HN GLY 10 21.955 -1.552 -7.265
74 1HA GLY 10 HA2 GLY 10 24.577 -2.272 -7.502
75 2HA GLY 10 HA1 GLY 10 24.625 -1.354 -5.994
76 H ALA 11 HN ALA 11 21.920 -2.163 -5.254
77 HA ALA 11 HA ALA 11 22.622 -4.664 -3.895
78 1HB ALA 11 HB1 ALA 11 20.312 -4.486 -2.952
79 2HB ALA 11 HB2 ALA 11 19.981 -3.164 -4.121
80 3HB ALA 11 HB3 ALA 11 21.192 -2.935 -2.829
81 H VAL 12 HN VAL 12 21.250 -6.651 -4.088
82 HA VAL 12 HA VAL 12 20.768 -7.249 -6.932
83 HB VAL 12 HB VAL 12 20.391 -9.607 -6.060
84 1HG1 VAL 12 HG1 VAL 12 22.870 -8.221 -4.985
85 2HG1 VAL 12 HG1 VAL 12 22.628 -8.825 -6.649
86 3HG1 VAL 12 HG1 VAL 12 22.686 -9.978 -5.282
87 1HG2 VAL 12 HG2 VAL 12 19.419 -9.001 -3.897
88 2HG2 VAL 12 HG2 VAL 12 21.000 -8.360 -3.353
89 3HG2 VAL 12 HG2 VAL 12 20.817 -10.098 -3.723
90 H ASN 13 HN ASN 13 18.987 -5.379 -6.062
91 HA ASN 13 HA ASN 13 16.448 -6.634 -6.764
92 1HB ASN 13 HB2 ASN 13 15.214 -6.058 -4.676
93 2HB ASN 13 HB1 ASN 13 16.466 -7.212 -4.342
94 1HD2 ASN 13 HD2 ASN 13 17.954 -4.127 -4.832
95 2HD2 ASN 13 HD2 ASN 13 17.988 -3.682 -3.193
96 H TYR 14 HN TYR 14 18.228 -4.262 -7.461
97 HA TYR 14 HA TYR 14 16.461 -1.966 -6.888
98 1HB TYR 14 HB2 TYR 14 18.849 -1.637 -6.880
99 2HB TYR 14 HB1 TYR 14 18.993 -2.323 -8.488
100 HD1 TYR 14 HD1 TYR 14 18.832 -0.896 -10.432
101 HD2 TYR 14 HD2 TYR 14 17.727 0.572 -6.624
102 HE1 TYR 14 HE1 TYR 14 18.736 1.375 -11.331
103 HE2 TYR 14 HE2 TYR 14 17.631 2.887 -7.479
104 HH TYR 14 HH TYR 14 17.290 3.908 -9.850
105 H THR 15 HN THR 15 15.130 -0.938 -8.349
106 HA THR 15 HA THR 15 14.502 -2.475 -10.785
107 HB THR 15 HB THR 15 12.458 -0.819 -10.653
108 HG1 THR 15 HG1 THR 15 12.408 0.385 -8.973
109 1HG2 THR 15 HG2 THR 15 12.306 -3.254 -9.985
110 2HG2 THR 15 HG2 THR 15 11.346 -2.190 -8.904
111 3HG2 THR 15 HG2 THR 15 12.955 -2.775 -8.390
112 H SER 16 HN SER 16 15.813 -1.735 -12.423
113 HA SER 16 HA SER 16 16.824 0.880 -12.786
114 1HB SER 16 HB2 SER 16 17.449 -1.178 -14.189
115 2HB SER 16 HB1 SER 16 15.920 -0.987 -15.064
116 HG SER 16 HG SER 16 16.608 0.924 -15.857
117 H ASP 17 HN ASP 17 13.717 -0.498 -13.702
118 HA ASP 17 HA ASP 17 12.756 2.306 -14.171
119 1HB ASP 17 HB2 ASP 17 12.904 0.954 -16.350
120 2HB ASP 17 HB1 ASP 17 11.635 -0.070 -15.661
121 H CYS 18 HN CYS 18 12.030 2.443 -12.126
122 HA CYS 18 HA CYS 18 10.639 0.609 -10.559
123 1HB CYS 18 HB2 CYS 18 11.434 2.963 -9.935
124 2HB CYS 18 HB1 CYS 18 9.924 3.459 -10.641
125 H ASN 19 HN ASN 19 8.960 3.068 -12.603
126 HA ASN 19 HA ASN 19 6.432 1.691 -12.235
127 1HB ASN 19 HB2 ASN 19 6.553 4.139 -12.875
128 2HB ASN 19 HB1 ASN 19 7.136 3.662 -14.458
129 1HD2 ASN 19 HD2 ASN 19 4.802 1.229 -13.606
130 2HD2 ASN 19 HD2 ASN 19 3.485 2.025 -14.306
131 H GLY 20 HN GLY 20 9.073 1.414 -14.514
132 1HA GLY 20 HA2 GLY 20 7.720 0.067 -16.636
133 2HA GLY 20 HA1 GLY 20 9.441 -0.130 -16.259
134 H GLU 21 HN GLU 21 9.455 -1.201 -13.822
135 HA GLU 21 HA GLU 21 8.654 -3.944 -14.294
136 1HB GLU 21 HB2 GLU 21 10.589 -3.056 -12.832
137 2HB GLU 21 HB1 GLU 21 9.394 -2.735 -11.611
138 1HG GLU 21 HG2 GLU 21 10.569 -5.011 -11.336
139 2HG GLU 21 HG1 GLU 21 8.817 -5.082 -11.373
140 H CYS 22 HN CYS 22 7.463 -1.452 -12.086
141 HA CYS 22 HA CYS 22 5.347 -2.866 -10.861
142 1HB CYS 22 HB2 CYS 22 6.285 -0.444 -10.622
143 2HB CYS 22 HB1 CYS 22 5.049 -0.013 -11.748
144 H LYS 23 HN LYS 23 5.209 -1.018 -13.885
145 HA LYS 23 HA LYS 23 2.536 -1.654 -14.576
146 1HB LYS 23 HB2 LYS 23 4.128 0.095 -15.773
147 2HB LYS 23 HB1 LYS 23 4.842 -1.267 -16.591
148 1HG LYS 23 HG2 LYS 23 3.141 -0.316 -18.064
149 2HG LYS 23 HG1 LYS 23 2.552 -1.873 -17.510
150 1HD LYS 23 HD2 LYS 23 1.307 -0.611 -15.628
151 2HD LYS 23 HD1 LYS 23 1.825 0.873 -16.394
152 1HE LYS 23 HE2 LYS 23 0.523 0.336 -18.396
153 2HE LYS 23 HE1 LYS 23 0.141 -1.266 -17.767
154 1HZ LYS 23 HZ1 LYS 23 -0.500 0.636 -15.805
155 2HZ LYS 23 HZ2 LYS 23 -1.548 -0.399 -16.632
156 3HZ LYS 23 HZ3 LYS 23 -1.220 1.144 -17.261
157 H ARG 24 HN ARG 24 5.626 -3.269 -15.310
158 HA ARG 24 HA ARG 24 4.613 -5.372 -16.873
159 1HB ARG 24 HB2 ARG 24 7.122 -4.630 -15.855
160 2HB ARG 24 HB1 ARG 24 6.774 -6.037 -14.899
161 1HG ARG 24 HG2 ARG 24 6.098 -6.664 -17.631
162 2HG ARG 24 HG1 ARG 24 7.603 -5.778 -17.653
163 1HD ARG 24 HD2 ARG 24 7.108 -8.193 -15.841
164 2HD ARG 24 HD1 ARG 24 7.803 -8.378 -17.440
165 HE ARG 24 HE ARG 24 9.139 -6.837 -15.187
166 1HH1 ARG 24 HH2 ARG 24 9.806 -6.583 -18.132
167 2HH1 ARG 24 HH2 ARG 24 11.203 -7.581 -18.326
168 1HH2 ARG 24 HH1 ARG 24 10.501 -9.007 -15.107
169 2HH2 ARG 24 HH1 ARG 24 11.641 -9.122 -16.399
170 H ARG 25 HN ARG 25 4.448 -4.741 -13.490
171 HA ARG 25 HA ARG 25 3.558 -7.454 -12.734
172 1HB ARG 25 HB2 ARG 25 3.430 -4.895 -11.072
173 2HB ARG 25 HB1 ARG 25 3.276 -6.504 -10.474
174 1HG ARG 25 HG2 ARG 25 5.808 -6.068 -11.921
175 2HG ARG 25 HG1 ARG 25 5.586 -4.908 -10.649
176 1HD ARG 25 HD2 ARG 25 5.633 -6.496 -8.943
177 2HD ARG 25 HD1 ARG 25 4.872 -7.752 -9.910
178 HE ARG 25 HE ARG 25 7.760 -7.009 -10.031
179 1HH1 ARG 25 HH2 ARG 25 6.303 -9.695 -9.326
180 2HH1 ARG 25 HH2 ARG 25 6.634 -10.608 -10.746
181 1HH2 ARG 25 HH1 ARG 25 7.699 -7.742 -12.506
182 2HH2 ARG 25 HH1 ARG 25 7.490 -9.440 -12.657
183 H GLY 26 HN GLY 26 2.036 -5.177 -14.426
184 1HA GLY 26 HA2 GLY 26 -0.258 -4.779 -14.791
185 2HA GLY 26 HA1 GLY 26 -0.591 -6.149 -13.705
186 H TYR 27 HN TYR 27 1.512 -3.707 -12.401
187 HA TYR 27 HA TYR 27 -0.576 -2.947 -10.425
188 1HB TYR 27 HB2 TYR 27 2.396 -2.350 -10.623
189 2HB TYR 27 HB1 TYR 27 1.381 -1.677 -9.387
190 HD1 TYR 27 HD1 TYR 27 0.458 -5.163 -10.131
191 HD2 TYR 27 HD2 TYR 27 3.171 -2.686 -7.961
192 HE1 TYR 27 HE1 TYR 27 1.015 -7.033 -8.673
193 HE2 TYR 27 HE2 TYR 27 3.695 -4.564 -6.495
194 HH TYR 27 HH TYR 27 1.917 -7.328 -6.263
195 H LYS 28 HN LYS 28 -0.699 -0.607 -9.876
196 HA LYS 28 HA LYS 28 -1.496 0.997 -12.093
197 1HB LYS 28 HB2 LYS 28 -0.648 1.978 -9.355
198 2HB LYS 28 HB1 LYS 28 -1.648 2.863 -10.470
199 1HG LYS 28 HG2 LYS 28 -3.524 1.429 -10.162
200 2HG LYS 28 HG1 LYS 28 -2.590 0.195 -9.343
201 1HD LYS 28 HD2 LYS 28 -2.266 1.689 -7.367
202 2HD LYS 28 HD1 LYS 28 -2.922 3.052 -8.241
203 1HE LYS 28 HE2 LYS 28 -4.566 2.157 -6.652
204 2HE LYS 28 HE1 LYS 28 -5.159 1.932 -8.295
205 1HZ LYS 28 HZ1 LYS 28 -3.586 -0.275 -7.551
206 2HZ LYS 28 HZ2 LYS 28 -5.276 -0.302 -7.831
207 3HZ LYS 28 HZ3 LYS 28 -4.553 0.005 -6.298
208 H GLY 29 HN GLY 29 1.263 1.508 -9.920
209 1HA GLY 29 HA2 GLY 29 3.184 1.983 -11.935
210 2HA GLY 29 HA1 GLY 29 2.528 3.549 -11.433
211 H GLY 30 HN GLY 30 5.085 3.528 -10.770
212 1HA GLY 30 HA2 GLY 30 5.139 3.419 -7.935
213 2HA GLY 30 HA1 GLY 30 6.056 2.065 -8.615
214 H HIS 31 HN HIS 31 7.385 3.799 -7.162
215 HA HIS 31 HA HIS 31 9.455 4.845 -8.874
216 1HB HIS 31 HB2 HIS 31 9.000 7.358 -7.951
217 2HB HIS 31 HB1 HIS 31 8.217 6.773 -9.425
218 HD1 HIS 31 HD1 HIS 31 5.788 6.294 -9.288
219 HD2 HIS 31 HD2 HIS 31 7.286 7.249 -5.526
220 HE1 HIS 31 HE1 HIS 31 3.799 6.493 -7.804
221 HE2 HIS 31 HE2 HIS 31 4.711 7.022 -5.565
222 H CYS 32 HN CYS 32 10.965 6.351 -7.514
223 HA CYS 32 HA CYS 32 11.379 4.933 -4.966
224 1HB CYS 32 HB2 CYS 32 13.191 5.648 -6.640
225 2HB CYS 32 HB1 CYS 32 12.938 7.279 -6.094
226 H GLY 33 HN GLY 33 11.869 6.341 -2.977
227 1HA GLY 33 HA2 GLY 33 10.745 9.008 -2.773
228 2HA GLY 33 HA1 GLY 33 9.534 7.841 -2.349
229 H SER 34 HN SER 34 13.083 7.971 -1.450
230 HA SER 34 HA SER 34 12.247 8.051 1.347
231 1HB SER 34 HB2 SER 34 13.873 5.785 0.054
232 2HB SER 34 HB1 SER 34 13.473 5.873 1.780
233 HG SER 34 HG SER 34 11.204 6.224 0.659
234 H PHE 35 HN PHE 35 14.970 7.337 2.087
235 HA PHE 35 HA PHE 35 16.259 9.934 1.424
236 1HB PHE 35 HB2 PHE 35 16.070 8.953 3.849
237 2HB PHE 35 HB1 PHE 35 17.378 7.881 3.359
238 HD1 PHE 35 HD1 PHE 35 16.471 11.520 3.189
239 HD2 PHE 35 HD2 PHE 35 19.578 8.657 3.772
240 HE1 PHE 35 HE1 PHE 35 18.061 13.332 3.618
241 HE2 PHE 35 HE2 PHE 35 21.163 10.477 4.204
242 HZ PHE 35 HZ PHE 35 20.412 12.816 4.128
243 H ALA 36 HN ALA 36 18.125 10.057 0.332
244 HA ALA 36 HA ALA 36 19.657 9.435 -1.377
245 1HB ALA 36 HB1 ALA 36 20.860 8.894 0.692
246 2HB ALA 36 HB2 ALA 36 21.246 7.728 -0.610
247 3HB ALA 36 HB3 ALA 36 20.105 7.269 0.683
248 H ASN 37 HN ASN 37 16.948 8.240 -1.620
249 HA ASN 37 HA ASN 37 15.866 6.622 -3.057
250 1HB ASN 37 HB2 ASN 37 18.656 6.389 -4.255
251 2HB ASN 37 HB1 ASN 37 17.166 6.042 -5.070
252 1HD2 ASN 37 HD2 ASN 37 15.741 8.477 -4.006
253 2HD2 ASN 37 HD2 ASN 37 16.471 9.771 -4.836
254 H VAL 38 HN VAL 38 15.427 5.029 -1.440
255 HA VAL 38 HA VAL 38 17.349 2.743 -1.471
256 HB VAL 38 HB VAL 38 16.494 2.311 0.944
257 1HG1 VAL 38 HG1 VAL 38 18.750 3.105 0.395
258 2HG1 VAL 38 HG1 VAL 38 18.161 3.934 1.864
259 3HG1 VAL 38 HG1 VAL 38 18.139 4.779 0.287
260 1HG2 VAL 38 HG2 VAL 38 15.814 5.245 0.701
261 2HG2 VAL 38 HG2 VAL 38 15.804 4.281 2.199
262 3HG2 VAL 38 HG2 VAL 38 14.631 3.902 0.906
263 H ASN 39 HN ASN 39 13.906 3.608 -1.585
264 HA ASN 39 HA ASN 39 13.408 0.764 -2.262
265 1HB ASN 39 HB2 ASN 39 11.884 2.453 -0.266
266 2HB ASN 39 HB1 ASN 39 11.210 1.030 -0.998
267 1HD2 ASN 39 HD2 ASN 39 12.468 1.848 1.875
268 2HD2 ASN 39 HD2 ASN 39 13.312 0.418 2.238
269 H CYS 40 HN CYS 40 11.889 0.382 -3.867
270 HA CYS 40 HA CYS 40 10.836 2.787 -5.296
271 1HB CYS 40 HB2 CYS 40 12.133 1.419 -6.785
272 2HB CYS 40 HB1 CYS 40 11.592 -0.047 -6.052
273 H TRP 41 HN TRP 41 8.874 3.255 -4.385
274 HA TRP 41 HA TRP 41 7.143 1.054 -3.466
275 1HB TRP 41 HB2 TRP 41 6.701 4.067 -3.322
276 2HB TRP 41 HB1 TRP 41 5.887 2.836 -2.395
277 HD1 TRP 41 HD1 TRP 41 9.106 4.914 -2.333
278 HE1 TRP 41 HE1 TRP 41 10.285 4.256 -0.231
279 HE3 TRP 41 HE3 TRP 41 6.280 0.987 -1.037
280 HZ2 TRP 41 HZ2 TRP 41 10.088 2.206 1.899
281 HZ3 TRP 41 HZ3 TRP 41 6.732 -0.335 0.986
282 HH2 TRP 41 HH2 TRP 41 8.636 0.273 2.472
283 H CYS 42 HN CYS 42 5.105 0.617 -4.362
284 HA CYS 42 HA CYS 42 4.491 1.839 -6.979
285 1HB CYS 42 HB2 CYS 42 4.088 -0.910 -5.830
286 2HB CYS 42 HB1 CYS 42 3.053 -0.342 -7.089
287 H GLU 43 HN GLU 43 2.131 1.938 -7.427
288 HA GLU 43 HA GLU 43 0.837 3.048 -5.069
289 1HB GLU 43 HB2 GLU 43 -0.568 2.878 -7.690
290 2HB GLU 43 HB1 GLU 43 -0.430 4.165 -6.527
291 1HG GLU 43 HG2 GLU 43 1.755 3.450 -8.496
292 2HG GLU 43 HG1 GLU 43 0.758 4.860 -8.505
293 H THR 44 HN THR 44 -0.038 0.460 -7.347
294 HA THR 44 HA THR 44 -1.671 -1.233 -7.178
295 HB THR 44 HB THR 44 -1.304 -2.696 -5.128
296 HG1 THR 44 HG1 THR 44 -0.663 -0.433 -4.148
297 1HG2 THR 44 HG2 THR 44 1.212 -1.495 -6.359
298 2HG2 THR 44 HG2 THR 44 0.191 -2.755 -7.143
299 3HG2 THR 44 HG2 THR 44 1.078 -3.117 -5.637
Start of MODEL 12
1 1H ASP 1 HT1 ASP 1 0.043 1.966 -0.742
2 2H ASP 1 HT2 ASP 1 1.421 2.576 0.044
3 3H ASP 1 HT3 ASP 1 1.023 0.916 0.200
4 HA ASP 1 HA ASP 1 1.267 1.584 -2.527
5 1HB ASP 1 HB2 ASP 1 3.720 2.146 -0.788
6 2HB ASP 1 HB1 ASP 1 3.757 2.081 -2.516
7 H LYS 2 HN LYS 2 2.752 0.062 -3.487
8 HA LYS 2 HA LYS 2 3.119 -2.398 -1.767
9 1HB LYS 2 HB2 LYS 2 1.614 -2.276 -3.910
10 2HB LYS 2 HB1 LYS 2 3.118 -2.332 -4.777
11 1HG LYS 2 HG2 LYS 2 2.422 -4.539 -4.778
12 2HG LYS 2 HG1 LYS 2 3.623 -4.523 -3.512
13 1HD LYS 2 HD2 LYS 2 2.008 -4.749 -1.811
14 2HD LYS 2 HD1 LYS 2 0.741 -3.976 -2.757
15 1HE LYS 2 HE2 LYS 2 0.641 -5.951 -4.269
16 2HE LYS 2 HE1 LYS 2 1.931 -6.744 -3.384
17 1HZ LYS 2 HZ1 LYS 2 -0.809 -6.775 -2.893
18 2HZ LYS 2 HZ2 LYS 2 -0.117 -5.965 -1.582
19 3HZ LYS 2 HZ3 LYS 2 0.393 -7.544 -1.971
20 H LEU 3 HN LEU 3 5.214 -2.943 -1.307
21 HA LEU 3 HA LEU 3 7.462 -1.558 -2.610
22 1HB LEU 3 HB2 LEU 3 7.493 -2.007 -0.179
23 2HB LEU 3 HB1 LEU 3 7.286 -3.722 -0.477
24 HG LEU 3 HG LEU 3 9.552 -3.688 -1.692
25 1HD1 LEU 3 HD1 LEU 3 9.739 -0.987 -0.340
26 2HD1 LEU 3 HD1 LEU 3 9.649 -1.258 -2.103
27 3HD1 LEU 3 HD1 LEU 3 11.059 -1.857 -1.190
28 1HD2 LEU 3 HD2 LEU 3 9.465 -2.899 1.230
29 2HD2 LEU 3 HD2 LEU 3 10.820 -3.722 0.393
30 3HD2 LEU 3 HD2 LEU 3 9.247 -4.544 0.564
31 H ILE 4 HN ILE 4 8.275 -2.265 -4.475
32 HA ILE 4 HA ILE 4 8.163 -5.230 -5.069
33 HB ILE 4 HB ILE 4 7.927 -4.707 -7.402
34 1HG1 ILE 4 HG1 ILE 4 7.334 -1.959 -7.623
35 2HG1 ILE 4 HG1 ILE 4 8.732 -2.005 -6.586
36 1HG2 ILE 4 HG2 ILE 4 5.874 -4.855 -6.101
37 2HG2 ILE 4 HG2 ILE 4 5.697 -3.629 -7.398
38 3HG2 ILE 4 HG2 ILE 4 5.983 -3.112 -5.715
39 1HD1 ILE 4 HD1 ILE 4 9.876 -3.516 -8.171
40 2HD1 ILE 4 HD2 ILE 4 9.425 -1.945 -8.903
41 3HD1 ILE 4 HD3 ILE 4 8.457 -3.393 -9.264
42 H GLY 5 HN GLY 5 10.329 -2.867 -4.206
43 1HA GLY 5 HA2 GLY 5 12.629 -4.412 -4.688
44 2HA GLY 5 HA1 GLY 5 12.484 -3.363 -6.088
45 H SER 6 HN SER 6 14.633 -2.786 -4.911
46 HA SER 6 HA SER 6 14.172 -0.788 -2.741
47 1HB SER 6 HB2 SER 6 15.996 -2.625 -2.430
48 2HB SER 6 HB1 SER 6 16.883 -1.813 -3.698
49 HG SER 6 HG SER 6 15.863 -0.434 -1.400
50 H CYS 7 HN CYS 7 16.412 0.786 -3.110
51 HA CYS 7 HA CYS 7 16.382 1.814 -5.896
52 1HB CYS 7 HB2 CYS 7 14.453 2.855 -4.629
53 2HB CYS 7 HB1 CYS 7 15.669 3.650 -3.648
54 H VAL 8 HN VAL 8 18.311 0.633 -4.081
55 HA VAL 8 HA VAL 8 20.296 2.855 -3.764
56 HB VAL 8 HB VAL 8 20.115 0.207 -2.276
57 1HG1 VAL 8 HG1 VAL 8 21.805 1.142 -0.755
58 2HG1 VAL 8 HG1 VAL 8 21.933 2.580 -1.812
59 3HG1 VAL 8 HG1 VAL 8 22.407 0.966 -2.424
60 1HG2 VAL 8 HG2 VAL 8 19.483 3.019 -1.360
61 2HG2 VAL 8 HG2 VAL 8 19.463 1.550 -0.329
62 3HG2 VAL 8 HG2 VAL 8 18.318 1.698 -1.685
63 H TRP 9 HN TRP 9 21.220 2.697 -5.744
64 HA TRP 9 HA TRP 9 21.962 0.514 -7.319
65 1HB TRP 9 HB2 TRP 9 23.045 3.264 -7.018
66 2HB TRP 9 HB1 TRP 9 24.254 2.133 -7.565
67 HD1 TRP 9 HD1 TRP 9 20.832 3.657 -8.698
68 HE1 TRP 9 HE1 TRP 9 20.650 3.049 -11.105
69 HE3 TRP 9 HE3 TRP 9 24.801 0.620 -9.145
70 HZ2 TRP 9 HZ2 TRP 9 21.999 1.433 -13.134
71 HZ3 TRP 9 HZ3 TRP 9 25.366 -0.469 -11.281
72 HH2 TRP 9 HH2 TRP 9 23.958 -0.062 -13.282
73 H GLY 10 HN GLY 10 22.577 -1.331 -6.180
74 1HA GLY 10 HA2 GLY 10 25.113 -2.188 -5.849
75 2HA GLY 10 HA1 GLY 10 24.929 -1.223 -4.383
76 H ALA 11 HN ALA 11 22.002 -1.957 -4.312
77 HA ALA 11 HA ALA 11 22.391 -4.449 -2.773
78 1HB ALA 11 HB1 ALA 11 19.902 -2.803 -3.369
79 2HB ALA 11 HB2 ALA 11 20.950 -2.638 -1.931
80 3HB ALA 11 HB3 ALA 11 20.005 -4.136 -2.177
81 H VAL 12 HN VAL 12 21.126 -6.388 -3.183
82 HA VAL 12 HA VAL 12 20.933 -6.948 -6.061
83 HB VAL 12 HB VAL 12 22.065 -8.394 -4.400
84 1HG1 VAL 12 HG1 VAL 12 20.609 -8.112 -2.490
85 2HG1 VAL 12 HG1 VAL 12 20.775 -9.842 -2.900
86 3HG1 VAL 12 HG1 VAL 12 19.289 -8.958 -3.353
87 1HG2 VAL 12 HG2 VAL 12 19.773 -9.792 -5.781
88 2HG2 VAL 12 HG2 VAL 12 21.241 -10.569 -5.127
89 3HG2 VAL 12 HG2 VAL 12 21.378 -9.394 -6.467
90 H ASN 13 HN ASN 13 19.058 -5.130 -5.347
91 HA ASN 13 HA ASN 13 16.610 -6.465 -6.259
92 1HB ASN 13 HB2 ASN 13 16.886 -5.637 -3.420
93 2HB ASN 13 HB1 ASN 13 15.339 -5.246 -4.147
94 1HD2 ASN 13 HD2 ASN 13 16.165 -7.463 -2.109
95 2HD2 ASN 13 HD2 ASN 13 15.481 -8.841 -2.839
96 H TYR 14 HN TYR 14 18.454 -4.036 -6.862
97 HA TYR 14 HA TYR 14 16.640 -1.755 -6.652
98 1HB TYR 14 HB2 TYR 14 19.145 -1.458 -6.776
99 2HB TYR 14 HB1 TYR 14 19.086 -2.129 -8.402
100 HD1 TYR 14 HD1 TYR 14 18.193 0.814 -6.375
101 HD2 TYR 14 HD2 TYR 14 18.244 -0.810 -10.296
102 HE1 TYR 14 HE1 TYR 14 17.677 3.034 -7.271
103 HE2 TYR 14 HE2 TYR 14 17.729 1.418 -11.202
104 HH TYR 14 HH TYR 14 16.528 3.886 -9.451
105 H THR 15 HN THR 15 15.373 -0.851 -8.353
106 HA THR 15 HA THR 15 14.840 -2.674 -10.613
107 HB THR 15 HB THR 15 12.689 -1.098 -10.612
108 HG1 THR 15 HG1 THR 15 12.692 0.268 -8.973
109 1HG2 THR 15 HG2 THR 15 11.639 -2.358 -8.780
110 2HG2 THR 15 HG2 THR 15 13.250 -2.828 -8.166
111 3HG2 THR 15 HG2 THR 15 12.661 -3.493 -9.718
112 H SER 16 HN SER 16 15.743 -2.040 -12.485
113 HA SER 16 HA SER 16 16.969 0.480 -13.011
114 1HB SER 16 HB2 SER 16 17.269 -1.694 -14.406
115 2HB SER 16 HB1 SER 16 15.709 -1.318 -15.153
116 HG SER 16 HG SER 16 18.122 -0.169 -15.606
117 H ASP 17 HN ASP 17 13.693 -0.659 -13.547
118 HA ASP 17 HA ASP 17 12.866 2.184 -13.916
119 1HB ASP 17 HB2 ASP 17 12.973 0.943 -16.162
120 2HB ASP 17 HB1 ASP 17 11.634 -0.037 -15.553
121 H CYS 18 HN CYS 18 12.137 2.245 -11.888
122 HA CYS 18 HA CYS 18 10.694 0.486 -10.317
123 1HB CYS 18 HB2 CYS 18 11.593 2.884 -9.969
124 2HB CYS 18 HB1 CYS 18 9.978 3.319 -10.433
125 H ASN 19 HN ASN 19 9.172 2.981 -12.341
126 HA ASN 19 HA ASN 19 6.539 1.821 -12.007
127 1HB ASN 19 HB2 ASN 19 6.978 4.278 -12.528
128 2HB ASN 19 HB1 ASN 19 7.453 3.806 -14.150
129 1HD2 ASN 19 HD2 ASN 19 4.962 1.639 -13.554
130 2HD2 ASN 19 HD2 ASN 19 3.680 2.621 -14.055
131 H GLY 20 HN GLY 20 8.995 1.637 -14.526
132 1HA GLY 20 HA2 GLY 20 7.560 0.319 -16.577
133 2HA GLY 20 HA1 GLY 20 9.290 0.084 -16.269
134 H GLU 21 HN GLU 21 9.414 -1.065 -13.900
135 HA GLU 21 HA GLU 21 8.680 -3.792 -14.298
136 1HB GLU 21 HB2 GLU 21 10.543 -3.015 -12.809
137 2HB GLU 21 HB1 GLU 21 9.396 -2.347 -11.690
138 1HG GLU 21 HG2 GLU 21 10.191 -4.611 -10.892
139 2HG GLU 21 HG1 GLU 21 8.463 -4.607 -11.192
140 H CYS 22 HN CYS 22 7.426 -1.336 -12.121
141 HA CYS 22 HA CYS 22 5.318 -2.616 -10.831
142 1HB CYS 22 HB2 CYS 22 6.189 -0.201 -10.778
143 2HB CYS 22 HB1 CYS 22 4.993 0.121 -11.990
144 H LYS 23 HN LYS 23 5.107 -0.970 -13.941
145 HA LYS 23 HA LYS 23 2.427 -1.704 -14.602
146 1HB LYS 23 HB2 LYS 23 4.070 0.007 -15.841
147 2HB LYS 23 HB1 LYS 23 4.700 -1.394 -16.661
148 1HG LYS 23 HG2 LYS 23 3.063 -0.481 -18.138
149 2HG LYS 23 HG1 LYS 23 2.318 -1.919 -17.459
150 1HD LYS 23 HD2 LYS 23 1.204 -0.434 -15.708
151 2HD LYS 23 HD1 LYS 23 1.908 0.959 -16.507
152 1HE LYS 23 HE2 LYS 23 0.670 0.249 -18.632
153 2HE LYS 23 HE1 LYS 23 -0.116 -1.003 -17.675
154 1HZ LYS 23 HZ1 LYS 23 -1.583 0.504 -16.971
155 2HZ LYS 23 HZ2 LYS 23 -0.823 1.704 -17.885
156 3HZ LYS 23 HZ3 LYS 23 -0.339 1.427 -16.281
157 H ARG 24 HN ARG 24 5.529 -3.212 -15.383
158 HA ARG 24 HA ARG 24 4.597 -5.462 -16.782
159 1HB ARG 24 HB2 ARG 24 7.019 -4.422 -15.850
160 2HB ARG 24 HB1 ARG 24 6.813 -5.822 -14.835
161 1HG ARG 24 HG2 ARG 24 6.610 -7.207 -16.900
162 2HG ARG 24 HG1 ARG 24 6.833 -5.737 -17.846
163 1HD ARG 24 HD2 ARG 24 9.070 -6.894 -17.523
164 2HD ARG 24 HD1 ARG 24 9.043 -5.315 -16.773
165 HE ARG 24 HE ARG 24 8.665 -6.467 -14.536
166 1HH1 ARG 24 HH1 ARG 24 8.129 -8.907 -16.436
167 2HH1 ARG 24 HH1 ARG 24 9.393 -9.974 -15.945
168 1HH2 ARG 24 HH2 ARG 24 10.900 -7.284 -14.137
169 2HH2 ARG 24 HH2 ARG 24 11.107 -8.965 -14.473
170 H ARG 25 HN ARG 25 4.501 -4.658 -13.397
171 HA ARG 25 HA ARG 25 3.759 -7.411 -12.605
172 1HB ARG 25 HB2 ARG 25 3.544 -5.051 -10.737
173 2HB ARG 25 HB1 ARG 25 3.925 -6.712 -10.350
174 1HG ARG 25 HG2 ARG 25 6.042 -6.009 -12.041
175 2HG ARG 25 HG1 ARG 25 5.634 -4.497 -11.288
176 1HD ARG 25 HD2 ARG 25 6.971 -5.073 -9.595
177 2HD ARG 25 HD1 ARG 25 5.703 -6.196 -9.094
178 HE ARG 25 HE ARG 25 7.853 -6.970 -11.072
179 1HH1 ARG 25 HH2 ARG 25 8.029 -7.149 -8.057
180 2HH1 ARG 25 HH2 ARG 25 7.728 -8.820 -7.742
181 1HH2 ARG 25 HH1 ARG 25 6.490 -9.150 -11.104
182 2HH2 ARG 25 HH1 ARG 25 6.773 -10.095 -9.681
183 H GLY 26 HN GLY 26 2.103 -5.279 -14.198
184 1HA GLY 26 HA2 GLY 26 -0.227 -5.093 -14.530
185 2HA GLY 26 HA1 GLY 26 -0.448 -6.333 -13.288
186 H TYR 27 HN TYR 27 1.526 -3.729 -12.255
187 HA TYR 27 HA TYR 27 -0.716 -2.786 -10.504
188 1HB TYR 27 HB2 TYR 27 2.296 -2.296 -10.553
189 2HB TYR 27 HB1 TYR 27 1.250 -1.443 -9.457
190 HD1 TYR 27 HD1 TYR 27 3.336 -2.925 -8.284
191 HD2 TYR 27 HD2 TYR 27 -0.459 -4.451 -9.528
192 HE1 TYR 27 HE1 TYR 27 3.492 -4.741 -6.663
193 HE2 TYR 27 HE2 TYR 27 -0.312 -6.197 -7.937
194 HH TYR 27 HH TYR 27 1.592 -7.457 -6.708
195 H LYS 28 HN LYS 28 -0.827 -0.415 -10.084
196 HA LYS 28 HA LYS 28 -1.539 0.923 -12.517
197 1HB LYS 28 HB2 LYS 28 -0.952 2.262 -9.812
198 2HB LYS 28 HB1 LYS 28 -1.820 2.962 -11.145
199 1HG LYS 28 HG2 LYS 28 -3.705 2.257 -10.110
200 2HG LYS 28 HG1 LYS 28 -3.282 0.679 -10.763
201 1HD LYS 28 HD2 LYS 28 -2.760 -0.233 -8.812
202 2HD LYS 28 HD1 LYS 28 -1.963 1.185 -8.166
203 1HE LYS 28 HE2 LYS 28 -4.976 1.208 -8.520
204 2HE LYS 28 HE1 LYS 28 -4.298 0.392 -7.143
205 1HZ LYS 28 HZ1 LYS 28 -3.034 2.969 -7.386
206 2HZ LYS 28 HZ2 LYS 28 -3.865 2.293 -6.171
207 3HZ LYS 28 HZ3 LYS 28 -4.703 3.164 -7.375
208 H GLY 29 HN GLY 29 0.970 1.873 -10.206
209 1HA GLY 29 HA2 GLY 29 3.056 2.078 -12.110
210 2HA GLY 29 HA1 GLY 29 2.345 3.687 -11.896
211 H GLY 30 HN GLY 30 5.042 3.088 -11.066
212 1HA GLY 30 HA2 GLY 30 4.704 3.553 -8.179
213 2HA GLY 30 HA1 GLY 30 5.774 2.236 -8.681
214 H HIS 31 HN HIS 31 7.350 3.605 -7.483
215 HA HIS 31 HA HIS 31 9.058 5.116 -9.262
216 1HB HIS 31 HB2 HIS 31 8.785 7.351 -7.807
217 2HB HIS 31 HB1 HIS 31 7.551 7.023 -9.028
218 HD1 HIS 31 HD1 HIS 31 5.242 6.242 -8.119
219 HD2 HIS 31 HD2 HIS 31 7.993 6.751 -5.013
220 HE1 HIS 31 HE1 HIS 31 3.950 6.089 -5.992
221 HE2 HIS 31 HE2 HIS 31 5.621 6.397 -4.190
222 H CYS 32 HN CYS 32 10.793 6.351 -7.887
223 HA CYS 32 HA CYS 32 11.686 4.465 -5.832
224 1HB CYS 32 HB2 CYS 32 13.308 5.639 -7.317
225 2HB CYS 32 HB1 CYS 32 12.798 7.175 -6.659
226 H GLY 33 HN GLY 33 11.965 5.106 -3.613
227 1HA GLY 33 HA2 GLY 33 9.738 6.340 -2.436
228 2HA GLY 33 HA1 GLY 33 11.220 6.023 -1.589
229 H SER 34 HN SER 34 12.754 7.793 -1.434
230 HA SER 34 HA SER 34 12.384 10.274 -2.818
231 1HB SER 34 HB2 SER 34 10.802 10.001 -0.289
232 2HB SER 34 HB1 SER 34 11.786 11.466 -0.376
233 HG SER 34 HG SER 34 10.244 12.135 -1.698
234 H PHE 35 HN PHE 35 13.249 9.662 0.642
235 HA PHE 35 HA PHE 35 15.478 11.431 0.444
236 1HB PHE 35 HB2 PHE 35 14.575 10.618 2.651
237 2HB PHE 35 HB1 PHE 35 15.330 9.052 2.307
238 HD1 PHE 35 HD1 PHE 35 16.172 12.717 2.420
239 HD2 PHE 35 HD2 PHE 35 17.583 8.724 2.973
240 HE1 PHE 35 HE1 PHE 35 18.326 13.581 3.189
241 HE2 PHE 35 HE2 PHE 35 19.737 9.606 3.749
242 HZ PHE 35 HZ PHE 35 20.114 12.032 3.856
243 H ALA 36 HN ALA 36 17.232 11.253 -0.458
244 HA ALA 36 HA ALA 36 18.868 10.434 -1.972
245 1HB ALA 36 HB1 ALA 36 19.853 10.340 0.262
246 2HB ALA 36 HB2 ALA 36 20.421 8.972 -0.748
247 3HB ALA 36 HB3 ALA 36 19.165 8.701 0.487
248 H ASN 37 HN ASN 37 16.274 8.994 -2.349
249 HA ASN 37 HA ASN 37 15.478 7.022 -3.451
250 1HB ASN 37 HB2 ASN 37 18.259 6.688 -4.600
251 2HB ASN 37 HB1 ASN 37 16.737 6.559 -5.438
252 1HD2 ASN 37 HD2 ASN 37 19.391 8.485 -5.244
253 2HD2 ASN 37 HD2 ASN 37 18.721 9.953 -5.784
254 H VAL 38 HN VAL 38 15.223 5.626 -1.663
255 HA VAL 38 HA VAL 38 17.471 3.723 -1.146
256 HB VAL 38 HB VAL 38 17.017 5.144 0.723
257 1HG1 VAL 38 HG1 VAL 38 14.898 5.229 1.919
258 2HG1 VAL 38 HG1 VAL 38 14.136 4.223 0.654
259 3HG1 VAL 38 HG1 VAL 38 14.775 5.857 0.259
260 1HG2 VAL 38 HG2 VAL 38 15.874 2.389 1.266
261 2HG2 VAL 38 HG2 VAL 38 16.474 3.544 2.499
262 3HG2 VAL 38 HG2 VAL 38 17.593 2.869 1.279
263 H ASN 39 HN ASN 39 13.937 3.913 -1.288
264 HA ASN 39 HA ASN 39 13.967 1.085 -2.198
265 1HB ASN 39 HB2 ASN 39 12.300 2.323 0.008
266 2HB ASN 39 HB1 ASN 39 11.661 0.955 -0.890
267 1HD2 ASN 39 HD2 ASN 39 12.509 0.859 1.973
268 2HD2 ASN 39 HD2 ASN 39 13.804 -0.235 2.004
269 H CYS 40 HN CYS 40 12.005 0.367 -3.432
270 HA CYS 40 HA CYS 40 10.957 2.673 -4.999
271 1HB CYS 40 HB2 CYS 40 12.286 0.251 -5.805
272 2HB CYS 40 HB1 CYS 40 10.637 0.143 -6.359
273 H TRP 41 HN TRP 41 8.910 3.032 -4.709
274 HA TRP 41 HA TRP 41 7.193 0.824 -3.612
275 1HB TRP 41 HB2 TRP 41 6.818 3.812 -3.200
276 2HB TRP 41 HB1 TRP 41 5.891 2.545 -2.433
277 HD1 TRP 41 HD1 TRP 41 9.490 4.058 -2.451
278 HE1 TRP 41 HE1 TRP 41 10.517 3.297 -0.323
279 HE3 TRP 41 HE3 TRP 41 5.909 0.938 -0.833
280 HZ2 TRP 41 HZ2 TRP 41 9.969 1.488 1.929
281 HZ3 TRP 41 HZ3 TRP 41 6.141 -0.316 1.281
282 HH2 TRP 41 HH2 TRP 41 8.166 -0.040 2.667
283 H CYS 42 HN CYS 42 5.135 0.513 -4.444
284 HA CYS 42 HA CYS 42 4.549 1.963 -6.969
285 1HB CYS 42 HB2 CYS 42 4.153 -0.840 -6.038
286 2HB CYS 42 HB1 CYS 42 3.007 -0.204 -7.175
287 H GLU 43 HN GLU 43 2.215 2.113 -7.419
288 HA GLU 43 HA GLU 43 0.847 3.290 -5.148
289 1HB GLU 43 HB2 GLU 43 0.811 3.424 -8.039
290 2HB GLU 43 HB1 GLU 43 -0.793 2.990 -7.527
291 1HG GLU 43 HG2 GLU 43 0.712 5.258 -6.251
292 2HG GLU 43 HG1 GLU 43 -0.180 5.489 -7.738
293 H THR 44 HN THR 44 -0.153 0.777 -7.385
294 HA THR 44 HA THR 44 -1.822 -0.924 -7.178
295 HB THR 44 HB THR 44 -1.243 -2.545 -5.369
296 HG1 THR 44 HG1 THR 44 -0.699 -0.355 -4.204
297 1HG2 THR 44 HG2 THR 44 1.220 -1.113 -6.481
298 2HG2 THR 44 HG2 THR 44 0.199 -2.257 -7.411
299 3HG2 THR 44 HG2 THR 44 1.121 -2.824 -5.987
Start of MODEL 13
1 1H ASP 1 HT1 ASP 1 0.899 2.025 -0.193
2 2H ASP 1 HT2 ASP 1 0.581 0.347 -0.410
3 3H ASP 1 HT3 ASP 1 -0.228 1.520 -1.369
4 HA ASP 1 HA ASP 1 1.379 1.419 -2.841
5 1HB ASP 1 HB2 ASP 1 3.440 1.902 -0.613
6 2HB ASP 1 HB1 ASP 1 3.683 2.092 -2.336
7 H LYS 2 HN LYS 2 2.886 0.035 -3.751
8 HA LYS 2 HA LYS 2 3.433 -2.416 -2.090
9 1HB LYS 2 HB2 LYS 2 2.049 -2.131 -4.535
10 2HB LYS 2 HB1 LYS 2 3.578 -2.852 -4.984
11 1HG LYS 2 HG2 LYS 2 1.686 -3.861 -2.810
12 2HG LYS 2 HG1 LYS 2 1.748 -4.522 -4.433
13 1HD LYS 2 HD2 LYS 2 4.145 -5.147 -4.076
14 2HD LYS 2 HD1 LYS 2 4.049 -4.551 -2.421
15 1HE LYS 2 HE2 LYS 2 2.188 -6.157 -1.961
16 2HE LYS 2 HE1 LYS 2 2.312 -6.763 -3.608
17 1HZ LYS 2 HZ1 LYS 2 3.797 -7.591 -1.371
18 2HZ LYS 2 HZ2 LYS 2 4.888 -6.823 -2.440
19 3HZ LYS 2 HZ3 LYS 2 3.940 -8.112 -2.973
20 H LEU 3 HN LEU 3 5.505 -2.835 -1.669
21 HA LEU 3 HA LEU 3 7.665 -1.315 -2.982
22 1HB LEU 3 HB2 LEU 3 7.475 -1.806 -0.488
23 2HB LEU 3 HB1 LEU 3 7.738 -3.495 -0.866
24 HG LEU 3 HG LEU 3 9.971 -2.671 -1.985
25 1HD1 LEU 3 HD1 LEU 3 10.851 -0.642 -1.054
26 2HD1 LEU 3 HD1 LEU 3 9.329 -0.381 -0.123
27 3HD1 LEU 3 HD1 LEU 3 9.323 -0.280 -1.896
28 1HD2 LEU 3 HD2 LEU 3 11.087 -2.797 0.186
29 2HD2 LEU 3 HD2 LEU 3 9.804 -4.026 0.041
30 3HD2 LEU 3 HD2 LEU 3 9.517 -2.550 1.014
31 H ILE 4 HN ILE 4 8.410 -2.045 -4.884
32 HA ILE 4 HA ILE 4 8.616 -5.047 -5.336
33 HB ILE 4 HB ILE 4 8.381 -4.705 -7.634
34 1HG1 ILE 4 HG1 ILE 4 7.585 -1.852 -7.670
35 2HG1 ILE 4 HG1 ILE 4 9.239 -2.023 -7.126
36 1HG2 ILE 4 HG2 ILE 4 6.261 -3.180 -6.125
37 2HG2 ILE 4 HG2 ILE 4 6.314 -4.948 -6.399
38 3HG2 ILE 4 HG2 ILE 4 6.102 -3.830 -7.782
39 1HD1 ILE 4 HD1 ILE 4 9.773 -3.505 -8.971
40 2HD1 ILE 4 HD2 ILE 4 9.161 -1.935 -9.562
41 3HD1 ILE 4 HD3 ILE 4 8.087 -3.353 -9.589
42 H GLY 5 HN GLY 5 10.593 -2.716 -4.382
43 1HA GLY 5 HA2 GLY 5 12.992 -4.007 -5.110
44 2HA GLY 5 HA1 GLY 5 12.711 -2.773 -6.332
45 H SER 6 HN SER 6 14.867 -2.366 -5.037
46 HA SER 6 HA SER 6 14.469 -0.434 -2.826
47 1HB SER 6 HB2 SER 6 15.960 -2.547 -2.377
48 2HB SER 6 HB1 SER 6 17.005 -1.968 -3.638
49 HG SER 6 HG SER 6 16.375 -0.234 -1.499
50 H CYS 7 HN CYS 7 16.532 1.145 -2.883
51 HA CYS 7 HA CYS 7 16.874 2.133 -5.684
52 1HB CYS 7 HB2 CYS 7 16.386 3.613 -3.186
53 2HB CYS 7 HB1 CYS 7 16.694 4.369 -4.709
54 H VAL 8 HN VAL 8 18.582 0.466 -3.859
55 HA VAL 8 HA VAL 8 20.860 2.340 -3.375
56 HB VAL 8 HB VAL 8 20.398 -0.480 -2.349
57 1HG1 VAL 8 HG1 VAL 8 22.351 1.684 -1.491
58 2HG1 VAL 8 HG1 VAL 8 22.767 0.192 -2.388
59 3HG1 VAL 8 HG1 VAL 8 22.143 0.081 -0.719
60 1HG2 VAL 8 HG2 VAL 8 19.956 2.221 -1.028
61 2HG2 VAL 8 HG2 VAL 8 19.837 0.619 -0.220
62 3HG2 VAL 8 HG2 VAL 8 18.701 1.047 -1.523
63 H TRP 9 HN TRP 9 21.513 2.431 -5.463
64 HA TRP 9 HA TRP 9 22.069 0.525 -7.424
65 1HB TRP 9 HB2 TRP 9 22.592 3.184 -7.184
66 2HB TRP 9 HB1 TRP 9 24.215 2.588 -6.943
67 HD1 TRP 9 HD1 TRP 9 21.436 2.870 -9.613
68 HE1 TRP 9 HE1 TRP 9 22.534 2.340 -11.810
69 HE3 TRP 9 HE3 TRP 9 25.950 1.311 -8.022
70 HZ2 TRP 9 HZ2 TRP 9 25.010 1.362 -12.878
71 HZ3 TRP 9 HZ3 TRP 9 27.679 0.578 -9.617
72 HH2 TRP 9 HH2 TRP 9 27.218 0.602 -12.054
73 H GLY 10 HN GLY 10 22.757 -1.497 -6.642
74 1HA GLY 10 HA2 GLY 10 25.206 -2.503 -6.621
75 2HA GLY 10 HA1 GLY 10 25.293 -1.654 -5.074
76 H ALA 11 HN ALA 11 22.421 -2.124 -4.549
77 HA ALA 11 HA ALA 11 22.683 -4.709 -3.225
78 1HB ALA 11 HB1 ALA 11 20.256 -2.904 -3.657
79 2HB ALA 11 HB2 ALA 11 21.354 -2.811 -2.251
80 3HB ALA 11 HB3 ALA 11 20.343 -4.263 -2.489
81 H VAL 12 HN VAL 12 21.164 -6.532 -3.650
82 HA VAL 12 HA VAL 12 20.786 -6.883 -6.555
83 HB VAL 12 HB VAL 12 19.957 -8.836 -4.441
84 1HG1 VAL 12 HG1 VAL 12 19.356 -9.412 -6.702
85 2HG1 VAL 12 HG1 VAL 12 20.609 -10.527 -6.101
86 3HG1 VAL 12 HG1 VAL 12 21.056 -9.206 -7.226
87 1HG2 VAL 12 HG2 VAL 12 22.773 -8.480 -5.488
88 2HG2 VAL 12 HG2 VAL 12 22.209 -9.859 -4.495
89 3HG2 VAL 12 HG2 VAL 12 22.226 -8.215 -3.805
90 H ASN 13 HN ASN 13 19.178 -4.889 -5.622
91 HA ASN 13 HA ASN 13 16.486 -5.932 -6.276
92 1HB ASN 13 HB2 ASN 13 17.023 -4.604 -3.640
93 2HB ASN 13 HB1 ASN 13 15.409 -4.700 -4.291
94 1HD2 ASN 13 HD2 ASN 13 14.260 -6.688 -4.032
95 2HD2 ASN 13 HD2 ASN 13 14.969 -8.011 -3.224
96 H TYR 14 HN TYR 14 18.644 -3.651 -7.008
97 HA TYR 14 HA TYR 14 17.012 -1.255 -6.726
98 1HB TYR 14 HB2 TYR 14 19.560 -1.367 -6.905
99 2HB TYR 14 HB1 TYR 14 19.315 -1.758 -8.596
100 HD1 TYR 14 HD1 TYR 14 18.829 -0.013 -10.233
101 HD2 TYR 14 HD2 TYR 14 18.890 0.901 -6.092
102 HE1 TYR 14 HE1 TYR 14 18.816 2.393 -10.746
103 HE2 TYR 14 HE2 TYR 14 18.866 3.328 -6.609
104 HH TYR 14 HH TYR 14 19.689 4.714 -8.643
105 H THR 15 HN THR 15 15.721 -0.306 -8.261
106 HA THR 15 HA THR 15 14.990 -1.905 -10.649
107 HB THR 15 HB THR 15 12.845 -0.286 -10.239
108 HG1 THR 15 HG1 THR 15 13.064 0.679 -8.325
109 1HG2 THR 15 HG2 THR 15 11.874 -2.026 -8.795
110 2HG2 THR 15 HG2 THR 15 13.503 -2.673 -8.458
111 3HG2 THR 15 HG2 THR 15 12.814 -2.802 -10.106
112 H SER 16 HN SER 16 16.166 -0.982 -12.308
113 HA SER 16 HA SER 16 16.816 1.754 -12.690
114 1HB SER 16 HB2 SER 16 17.727 -0.106 -14.139
115 2HB SER 16 HB1 SER 16 16.126 -0.323 -14.857
116 HG SER 16 HG SER 16 16.418 1.443 -15.995
117 H ASP 17 HN ASP 17 13.933 -0.050 -13.729
118 HA ASP 17 HA ASP 17 12.555 2.602 -14.016
119 1HB ASP 17 HB2 ASP 17 12.803 1.476 -16.278
120 2HB ASP 17 HB1 ASP 17 11.754 0.192 -15.665
121 H CYS 18 HN CYS 18 11.936 2.407 -11.955
122 HA CYS 18 HA CYS 18 10.633 0.347 -10.576
123 1HB CYS 18 HB2 CYS 18 11.319 2.751 -9.904
124 2HB CYS 18 HB1 CYS 18 9.705 3.114 -10.428
125 H ASN 19 HN ASN 19 9.068 2.876 -12.503
126 HA ASN 19 HA ASN 19 6.436 1.705 -12.232
127 1HB ASN 19 HB2 ASN 19 6.841 4.141 -12.882
128 2HB ASN 19 HB1 ASN 19 7.400 3.584 -14.446
129 1HD2 ASN 19 HD2 ASN 19 4.833 1.453 -13.783
130 2HD2 ASN 19 HD2 ASN 19 3.589 2.395 -14.433
131 H GLY 20 HN GLY 20 9.045 1.316 -14.533
132 1HA GLY 20 HA2 GLY 20 7.667 -0.013 -16.637
133 2HA GLY 20 HA1 GLY 20 9.370 -0.273 -16.238
134 H GLU 21 HN GLU 21 9.402 -1.346 -13.885
135 HA GLU 21 HA GLU 21 8.492 -4.064 -14.268
136 1HB GLU 21 HB2 GLU 21 10.456 -3.221 -12.866
137 2HB GLU 21 HB1 GLU 21 9.327 -2.707 -11.658
138 1HG GLU 21 HG2 GLU 21 10.458 -5.038 -11.281
139 2HG GLU 21 HG1 GLU 21 8.725 -4.939 -11.052
140 H CYS 22 HN CYS 22 7.373 -1.530 -12.095
141 HA CYS 22 HA CYS 22 5.214 -2.739 -10.799
142 1HB CYS 22 HB2 CYS 22 6.165 -0.356 -10.690
143 2HB CYS 22 HB1 CYS 22 4.995 0.025 -11.915
144 H LYS 23 HN LYS 23 5.081 -1.050 -13.899
145 HA LYS 23 HA LYS 23 2.356 -1.657 -14.547
146 1HB LYS 23 HB2 LYS 23 4.295 -0.059 -15.728
147 2HB LYS 23 HB1 LYS 23 4.427 -1.441 -16.772
148 1HG LYS 23 HG2 LYS 23 2.874 0.104 -17.810
149 2HG LYS 23 HG1 LYS 23 1.962 -1.286 -17.267
150 1HD LYS 23 HD2 LYS 23 1.016 -0.180 -15.402
151 2HD LYS 23 HD1 LYS 23 2.230 1.060 -15.341
152 1HE LYS 23 HE2 LYS 23 -0.003 0.763 -17.424
153 2HE LYS 23 HE1 LYS 23 0.082 1.963 -16.141
154 1HZ LYS 23 HZ1 LYS 23 1.184 2.165 -18.718
155 2HZ LYS 23 HZ2 LYS 23 2.473 2.062 -17.608
156 3HZ LYS 23 HZ3 LYS 23 1.300 3.257 -17.416
157 H ARG 24 HN ARG 24 5.435 -3.295 -15.251
158 HA ARG 24 HA ARG 24 4.446 -5.431 -16.775
159 1HB ARG 24 HB2 ARG 24 6.923 -4.677 -15.759
160 2HB ARG 24 HB1 ARG 24 6.572 -6.036 -14.736
161 1HG ARG 24 HG2 ARG 24 6.051 -7.261 -17.040
162 2HG ARG 24 HG1 ARG 24 6.806 -5.835 -17.718
163 1HD ARG 24 HD2 ARG 24 8.449 -7.796 -17.364
164 2HD ARG 24 HD1 ARG 24 8.938 -6.280 -16.622
165 HE ARG 24 HE ARG 24 8.611 -7.239 -14.459
166 1HH1 ARG 24 HH1 ARG 24 5.924 -8.210 -15.089
167 2HH1 ARG 24 HH1 ARG 24 6.029 -9.924 -14.906
168 1HH2 ARG 24 HH2 ARG 24 9.604 -9.663 -15.080
169 2HH2 ARG 24 HH2 ARG 24 8.367 -10.845 -14.907
170 H ARG 25 HN ARG 25 4.174 -4.754 -13.386
171 HA ARG 25 HA ARG 25 3.199 -7.517 -12.818
172 1HB ARG 25 HB2 ARG 25 3.047 -5.398 -10.702
173 2HB ARG 25 HB1 ARG 25 3.524 -7.063 -10.524
174 1HG ARG 25 HG2 ARG 25 5.587 -6.067 -12.106
175 2HG ARG 25 HG1 ARG 25 5.116 -4.650 -11.232
176 1HD ARG 25 HD2 ARG 25 6.617 -5.410 -9.687
177 2HD ARG 25 HD1 ARG 25 5.300 -6.471 -9.164
178 HE ARG 25 HE ARG 25 7.342 -7.238 -11.250
179 1HH1 ARG 25 HH2 ARG 25 4.855 -8.741 -10.889
180 2HH1 ARG 25 HH2 ARG 25 5.298 -10.092 -9.896
181 1HH2 ARG 25 HH1 ARG 25 8.303 -8.335 -9.024
182 2HH2 ARG 25 HH1 ARG 25 7.500 -9.839 -8.752
183 H GLY 26 HN GLY 26 1.803 -5.221 -14.361
184 1HA GLY 26 HA2 GLY 26 -0.482 -4.800 -14.749
185 2HA GLY 26 HA1 GLY 26 -0.873 -6.002 -13.514
186 H TYR 27 HN TYR 27 1.351 -3.677 -12.324
187 HA TYR 27 HA TYR 27 -0.805 -2.487 -10.665
188 1HB TYR 27 HB2 TYR 27 2.225 -2.282 -10.668
189 2HB TYR 27 HB1 TYR 27 1.258 -1.295 -9.618
190 HD1 TYR 27 HD1 TYR 27 -0.708 -4.149 -9.597
191 HD2 TYR 27 HD2 TYR 27 3.186 -2.898 -8.363
192 HE1 TYR 27 HE1 TYR 27 -0.720 -5.841 -7.927
193 HE2 TYR 27 HE2 TYR 27 3.178 -4.640 -6.653
194 HH TYR 27 HH TYR 27 0.367 -6.719 -6.069
195 H LYS 28 HN LYS 28 -0.621 -0.096 -10.268
196 HA LYS 28 HA LYS 28 -1.156 1.269 -12.750
197 1HB LYS 28 HB2 LYS 28 -0.708 2.556 -10.003
198 2HB LYS 28 HB1 LYS 28 -1.576 3.231 -11.352
199 1HG LYS 28 HG2 LYS 28 -3.273 2.491 -9.878
200 2HG LYS 28 HG1 LYS 28 -3.211 1.267 -11.135
201 1HD LYS 28 HD2 LYS 28 -2.305 -0.377 -9.760
202 2HD LYS 28 HD1 LYS 28 -1.634 0.778 -8.606
203 1HE LYS 28 HE2 LYS 28 -4.649 0.449 -9.184
204 2HE LYS 28 HE1 LYS 28 -3.830 -0.519 -7.982
205 1HZ LYS 28 HZ1 LYS 28 -3.050 2.100 -7.466
206 2HZ LYS 28 HZ2 LYS 28 -4.044 1.150 -6.580
207 3HZ LYS 28 HZ3 LYS 28 -4.742 2.169 -7.743
208 H GLY 29 HN GLY 29 1.186 2.155 -10.243
209 1HA GLY 29 HA2 GLY 29 3.340 2.397 -12.163
210 2HA GLY 29 HA1 GLY 29 2.751 3.967 -11.598
211 H GLY 30 HN GLY 30 5.310 3.561 -10.908
212 1HA GLY 30 HA2 GLY 30 5.282 3.459 -8.058
213 2HA GLY 30 HA1 GLY 30 6.009 1.976 -8.715
214 H HIS 31 HN HIS 31 7.279 3.999 -7.180
215 HA HIS 31 HA HIS 31 9.637 4.541 -8.839
216 1HB HIS 31 HB2 HIS 31 9.334 7.162 -8.208
217 2HB HIS 31 HB1 HIS 31 8.524 6.486 -9.634
218 HD1 HIS 31 HD1 HIS 31 5.996 6.642 -9.529
219 HD2 HIS 31 HD2 HIS 31 7.549 6.907 -5.681
220 HE1 HIS 31 HE1 HIS 31 4.045 6.951 -8.027
221 HE2 HIS 31 HE2 HIS 31 4.968 7.076 -5.772
222 H CYS 32 HN CYS 32 11.259 5.933 -7.514
223 HA CYS 32 HA CYS 32 11.415 4.736 -4.873
224 1HB CYS 32 HB2 CYS 32 13.376 5.505 -6.448
225 2HB CYS 32 HB1 CYS 32 13.087 7.090 -5.770
226 H GLY 33 HN GLY 33 11.761 6.191 -2.937
227 1HA GLY 33 HA2 GLY 33 10.679 8.854 -2.781
228 2HA GLY 33 HA1 GLY 33 9.363 7.741 -2.508
229 H SER 34 HN SER 34 12.791 7.815 -1.345
230 HA SER 34 HA SER 34 11.755 7.803 1.403
231 1HB SER 34 HB2 SER 34 13.689 5.734 0.186
232 2HB SER 34 HB1 SER 34 13.223 5.773 1.893
233 HG SER 34 HG SER 34 11.372 4.942 1.404
234 H PHE 35 HN PHE 35 14.574 7.266 2.244
235 HA PHE 35 HA PHE 35 15.587 10.035 1.829
236 1HB PHE 35 HB2 PHE 35 15.490 9.067 4.168
237 2HB PHE 35 HB1 PHE 35 16.711 7.895 3.666
238 HD1 PHE 35 HD1 PHE 35 18.996 8.660 3.031
239 HD2 PHE 35 HD2 PHE 35 16.104 11.371 4.592
240 HE1 PHE 35 HE1 PHE 35 20.764 10.301 3.460
241 HE2 PHE 35 HE2 PHE 35 17.877 13.012 5.023
242 HZ PHE 35 HZ PHE 35 20.212 12.483 4.457
243 H ALA 36 HN ALA 36 17.395 10.446 0.737
244 HA ALA 36 HA ALA 36 18.967 10.120 -1.025
245 1HB ALA 36 HB1 ALA 36 19.807 8.020 0.984
246 2HB ALA 36 HB2 ALA 36 20.272 9.754 1.027
247 3HB ALA 36 HB3 ALA 36 20.835 8.700 -0.303
248 H ASN 37 HN ASN 37 16.536 8.613 -1.431
249 HA ASN 37 HA ASN 37 15.734 6.856 -2.899
250 1HB ASN 37 HB2 ASN 37 18.575 6.823 -3.931
251 2HB ASN 37 HB1 ASN 37 17.135 6.343 -4.786
252 1HD2 ASN 37 HD2 ASN 37 16.342 7.857 -6.182
253 2HD2 ASN 37 HD2 ASN 37 16.667 9.531 -6.096
254 H VAL 38 HN VAL 38 15.462 5.376 -1.104
255 HA VAL 38 HA VAL 38 17.515 3.186 -1.118
256 HB VAL 38 HB VAL 38 16.695 2.697 1.277
257 1HG1 VAL 38 HG1 VAL 38 18.183 4.444 2.264
258 2HG1 VAL 38 HG1 VAL 38 18.129 5.301 0.687
259 3HG1 VAL 38 HG1 VAL 38 18.870 3.687 0.796
260 1HG2 VAL 38 HG2 VAL 38 15.794 4.577 2.542
261 2HG2 VAL 38 HG2 VAL 38 14.690 4.052 1.242
262 3HG2 VAL 38 HG2 VAL 38 15.693 5.533 1.040
263 H ASN 39 HN ASN 39 14.078 3.914 -1.244
264 HA ASN 39 HA ASN 39 13.581 1.031 -1.785
265 1HB ASN 39 HB2 ASN 39 12.275 2.795 0.235
266 2HB ASN 39 HB1 ASN 39 11.261 1.646 -0.612
267 1HD2 ASN 39 HD2 ASN 39 10.967 -0.085 0.788
268 2HD2 ASN 39 HD2 ASN 39 12.231 -0.815 1.665
269 H CYS 40 HN CYS 40 11.849 0.550 -3.247
270 HA CYS 40 HA CYS 40 10.821 2.929 -4.722
271 1HB CYS 40 HB2 CYS 40 12.361 0.803 -5.728
272 2HB CYS 40 HB1 CYS 40 10.722 0.340 -6.129
273 H TRP 41 HN TRP 41 8.752 3.239 -4.469
274 HA TRP 41 HA TRP 41 7.048 0.969 -3.524
275 1HB TRP 41 HB2 TRP 41 6.441 3.915 -3.250
276 2HB TRP 41 HB1 TRP 41 5.679 2.604 -2.388
277 HD1 TRP 41 HD1 TRP 41 8.918 4.731 -2.405
278 HE1 TRP 41 HE1 TRP 41 10.122 4.139 -0.294
279 HE3 TRP 41 HE3 TRP 41 6.038 0.945 -0.958
280 HZ2 TRP 41 HZ2 TRP 41 9.883 2.161 1.929
281 HZ3 TRP 41 HZ3 TRP 41 6.464 -0.331 1.110
282 HH2 TRP 41 HH2 TRP 41 8.393 0.282 2.576
283 H CYS 42 HN CYS 42 5.094 0.538 -4.499
284 HA CYS 42 HA CYS 42 4.549 1.913 -7.081
285 1HB CYS 42 HB2 CYS 42 3.943 -0.818 -6.004
286 2HB CYS 42 HB1 CYS 42 2.909 -0.154 -7.214
287 H GLU 43 HN GLU 43 2.240 2.231 -7.543
288 HA GLU 43 HA GLU 43 0.817 3.180 -5.125
289 1HB GLU 43 HB2 GLU 43 0.359 3.836 -8.053
290 2HB GLU 43 HB1 GLU 43 -0.204 4.674 -6.650
291 1HG GLU 43 HG2 GLU 43 2.797 4.408 -6.854
292 2HG GLU 43 HG1 GLU 43 2.041 5.433 -8.044
293 H THR 44 HN THR 44 0.634 0.382 -5.572
294 HA THR 44 HA THR 44 -1.591 -0.495 -7.100
295 HB THR 44 HB THR 44 -1.563 -2.391 -5.354
296 HG1 THR 44 HG1 THR 44 -0.756 -0.551 -4.006
297 1HG2 THR 44 HG2 THR 44 0.686 -3.101 -6.033
298 2HG2 THR 44 HG2 THR 44 1.142 -1.429 -6.466
299 3HG2 THR 44 HG2 THR 44 -0.107 -2.287 -7.419
Start of MODEL 14
1 1H ASP 1 HT1 ASP 1 0.036 2.381 -0.870
2 2H ASP 1 HT2 ASP 1 -0.114 0.656 -0.724
3 3H ASP 1 HT3 ASP 1 -0.771 1.481 -2.071
4 HA ASP 1 HA ASP 1 1.004 1.323 -3.179
5 1HB ASP 1 HB2 ASP 1 2.419 2.499 -0.731
6 2HB ASP 1 HB1 ASP 1 3.208 2.239 -2.270
7 H LYS 2 HN LYS 2 2.744 -0.060 -3.601
8 HA LYS 2 HA LYS 2 3.322 -2.058 -1.417
9 1HB LYS 2 HB2 LYS 2 1.635 -2.681 -3.406
10 2HB LYS 2 HB1 LYS 2 3.102 -2.943 -4.310
11 1HG LYS 2 HG2 LYS 2 2.516 -5.086 -3.391
12 2HG LYS 2 HG1 LYS 2 3.859 -4.533 -2.418
13 1HD LYS 2 HD2 LYS 2 2.269 -3.668 -0.681
14 2HD LYS 2 HD1 LYS 2 0.910 -4.114 -1.697
15 1HE LYS 2 HE2 LYS 2 1.635 -6.524 -1.545
16 2HE LYS 2 HE1 LYS 2 2.930 -6.041 -0.459
17 1HZ LYS 2 HZ1 LYS 2 1.475 -6.166 1.231
18 2HZ LYS 2 HZ2 LYS 2 0.239 -6.563 0.143
19 3HZ LYS 2 HZ3 LYS 2 0.530 -4.944 0.519
20 H LEU 3 HN LEU 3 5.395 -3.079 -1.481
21 HA LEU 3 HA LEU 3 7.443 -1.477 -2.937
22 1HB LEU 3 HB2 LEU 3 7.728 -1.931 -0.460
23 2HB LEU 3 HB1 LEU 3 7.774 -3.644 -0.818
24 HG LEU 3 HG LEU 3 9.808 -2.949 -2.462
25 1HD1 LEU 3 HD1 LEU 3 9.858 -0.781 -0.370
26 2HD1 LEU 3 HD1 LEU 3 9.495 -0.531 -2.095
27 3HD1 LEU 3 HD1 LEU 3 11.111 -1.128 -1.608
28 1HD2 LEU 3 HD2 LEU 3 10.000 -4.457 -0.577
29 2HD2 LEU 3 HD2 LEU 3 10.113 -3.055 0.530
30 3HD2 LEU 3 HD2 LEU 3 11.397 -3.349 -0.683
31 H ILE 4 HN ILE 4 8.032 -2.213 -4.903
32 HA ILE 4 HA ILE 4 7.924 -5.169 -5.380
33 HB ILE 4 HB ILE 4 7.927 -4.530 -7.832
34 1HG1 ILE 4 HG1 ILE 4 7.297 -2.161 -8.410
35 2HG1 ILE 4 HG1 ILE 4 7.806 -1.654 -6.825
36 1HG2 ILE 4 HG2 ILE 4 5.836 -3.186 -6.122
37 2HG2 ILE 4 HG2 ILE 4 5.837 -4.904 -6.614
38 3HG2 ILE 4 HG2 ILE 4 5.644 -3.605 -7.843
39 1HD1 ILE 4 HD1 ILE 4 10.113 -2.487 -7.363
40 2HD1 ILE 4 HD2 ILE 4 9.502 -1.312 -8.545
41 3HD1 ILE 4 HD3 ILE 4 9.468 -3.060 -8.938
42 H GLY 5 HN GLY 5 10.116 -2.554 -4.953
43 1HA GLY 5 HA2 GLY 5 12.363 -4.381 -5.031
44 2HA GLY 5 HA1 GLY 5 12.386 -3.264 -6.382
45 H SER 6 HN SER 6 14.449 -2.898 -4.908
46 HA SER 6 HA SER 6 13.861 -0.839 -2.860
47 1HB SER 6 HB2 SER 6 15.711 -2.947 -2.696
48 2HB SER 6 HB1 SER 6 16.727 -1.587 -3.154
49 HG SER 6 HG SER 6 15.290 -1.989 -0.864
50 H CYS 7 HN CYS 7 15.883 0.869 -2.864
51 HA CYS 7 HA CYS 7 16.280 1.713 -5.725
52 1HB CYS 7 HB2 CYS 7 14.346 2.801 -4.463
53 2HB CYS 7 HB1 CYS 7 15.602 3.598 -3.534
54 H VAL 8 HN VAL 8 18.075 0.379 -3.970
55 HA VAL 8 HA VAL 8 20.183 2.486 -3.621
56 HB VAL 8 HB VAL 8 19.898 -0.040 -1.938
57 1HG1 VAL 8 HG1 VAL 8 21.521 1.119 -0.472
58 2HG1 VAL 8 HG1 VAL 8 21.554 2.488 -1.624
59 3HG1 VAL 8 HG1 VAL 8 22.177 0.884 -2.117
60 1HG2 VAL 8 HG2 VAL 8 19.122 1.448 -0.141
61 2HG2 VAL 8 HG2 VAL 8 18.023 1.435 -1.548
62 3HG2 VAL 8 HG2 VAL 8 19.137 2.814 -1.306
63 H TRP 9 HN TRP 9 21.199 2.156 -5.498
64 HA TRP 9 HA TRP 9 21.745 -0.175 -6.930
65 1HB TRP 9 HB2 TRP 9 22.525 2.481 -7.208
66 2HB TRP 9 HB1 TRP 9 24.067 1.738 -6.834
67 HD1 TRP 9 HD1 TRP 9 21.615 2.230 -9.647
68 HE1 TRP 9 HE1 TRP 9 22.391 0.818 -11.576
69 HE3 TRP 9 HE3 TRP 9 25.128 -0.563 -7.371
70 HZ2 TRP 9 HZ2 TRP 9 24.272 -1.293 -12.187
71 HZ3 TRP 9 HZ3 TRP 9 26.406 -2.277 -8.603
72 HH2 TRP 9 HH2 TRP 9 25.979 -2.646 -11.009
73 H GLY 10 HN GLY 10 22.231 -1.961 -5.683
74 1HA GLY 10 HA2 GLY 10 24.758 -2.883 -5.194
75 2HA GLY 10 HA1 GLY 10 24.449 -1.936 -3.737
76 H ALA 11 HN ALA 11 21.556 -2.559 -3.867
77 HA ALA 11 HA ALA 11 21.723 -5.149 -2.436
78 1HB ALA 11 HB1 ALA 11 19.328 -4.745 -1.941
79 2HB ALA 11 HB2 ALA 11 19.356 -3.352 -3.063
80 3HB ALA 11 HB3 ALA 11 20.329 -3.312 -1.564
81 H VAL 12 HN VAL 12 20.261 -6.970 -2.988
82 HA VAL 12 HA VAL 12 20.257 -7.413 -5.907
83 HB VAL 12 HB VAL 12 19.307 -9.294 -3.770
84 1HG1 VAL 12 HG1 VAL 12 18.784 -10.013 -6.020
85 2HG1 VAL 12 HG1 VAL 12 20.043 -11.056 -5.316
86 3HG1 VAL 12 HG1 VAL 12 20.493 -9.786 -6.498
87 1HG2 VAL 12 HG2 VAL 12 21.598 -10.257 -3.726
88 2HG2 VAL 12 HG2 VAL 12 21.559 -8.572 -3.141
89 3HG2 VAL 12 HG2 VAL 12 22.133 -8.924 -4.798
90 H ASN 13 HN ASN 13 18.549 -5.427 -5.356
91 HA ASN 13 HA ASN 13 16.002 -6.487 -6.369
92 1HB ASN 13 HB2 ASN 13 16.257 -6.566 -3.614
93 2HB ASN 13 HB1 ASN 13 15.573 -4.977 -3.854
94 1HD2 ASN 13 HD2 ASN 13 15.038 -8.158 -5.341
95 2HD2 ASN 13 HD2 ASN 13 13.341 -8.127 -5.135
96 H TYR 14 HN TYR 14 18.122 -4.224 -6.787
97 HA TYR 14 HA TYR 14 16.561 -1.787 -6.526
98 1HB TYR 14 HB2 TYR 14 19.020 -1.834 -6.461
99 2HB TYR 14 HB1 TYR 14 19.042 -2.485 -8.094
100 HD1 TYR 14 HD1 TYR 14 17.825 0.490 -6.234
101 HD2 TYR 14 HD2 TYR 14 19.348 -1.045 -9.877
102 HE1 TYR 14 HE1 TYR 14 17.900 2.800 -7.115
103 HE2 TYR 14 HE2 TYR 14 19.438 1.223 -10.793
104 HH TYR 14 HH TYR 14 18.404 4.036 -9.025
105 H THR 15 HN THR 15 15.435 -0.721 -8.016
106 HA THR 15 HA THR 15 14.825 -2.080 -10.593
107 HB THR 15 HB THR 15 12.661 -0.435 -10.071
108 HG1 THR 15 HG1 THR 15 12.876 0.139 -8.013
109 1HG2 THR 15 HG2 THR 15 11.581 -2.413 -9.112
110 2HG2 THR 15 HG2 THR 15 13.171 -3.142 -8.751
111 3HG2 THR 15 HG2 THR 15 12.631 -2.953 -10.453
112 H SER 16 HN SER 16 16.102 -0.988 -12.071
113 HA SER 16 HA SER 16 16.651 1.814 -12.028
114 1HB SER 16 HB2 SER 16 17.923 0.264 -13.498
115 2HB SER 16 HB1 SER 16 16.453 -0.108 -14.414
116 HG SER 16 HG SER 16 18.079 2.019 -14.686
117 H ASP 17 HN ASP 17 14.106 0.004 -13.643
118 HA ASP 17 HA ASP 17 12.665 2.575 -14.209
119 1HB ASP 17 HB2 ASP 17 13.339 0.936 -16.131
120 2HB ASP 17 HB1 ASP 17 12.093 -0.113 -15.451
121 H CYS 18 HN CYS 18 12.045 2.490 -11.955
122 HA CYS 18 HA CYS 18 10.631 0.551 -10.546
123 1HB CYS 18 HB2 CYS 18 11.390 3.016 -10.056
124 2HB CYS 18 HB1 CYS 18 9.744 3.329 -10.467
125 H ASN 19 HN ASN 19 9.034 3.111 -12.440
126 HA ASN 19 HA ASN 19 6.443 1.921 -12.208
127 1HB ASN 19 HB2 ASN 19 6.798 4.336 -12.956
128 2HB ASN 19 HB1 ASN 19 7.348 3.722 -14.510
129 1HD2 ASN 19 HD2 ASN 19 4.872 1.626 -13.360
130 2HD2 ASN 19 HD2 ASN 19 3.567 2.393 -14.095
131 H GLY 20 HN GLY 20 8.979 1.543 -14.665
132 1HA GLY 20 HA2 GLY 20 7.514 0.083 -16.604
133 2HA GLY 20 HA1 GLY 20 9.253 -0.090 -16.304
134 H GLU 21 HN GLU 21 9.415 -1.041 -13.836
135 HA GLU 21 HA GLU 21 8.719 -3.817 -14.098
136 1HB GLU 21 HB2 GLU 21 10.562 -2.996 -12.716
137 2HB GLU 21 HB1 GLU 21 9.469 -2.175 -11.659
138 1HG GLU 21 HG2 GLU 21 10.207 -4.272 -10.635
139 2HG GLU 21 HG1 GLU 21 8.482 -4.242 -10.843
140 H CYS 22 HN CYS 22 7.399 -1.313 -12.024
141 HA CYS 22 HA CYS 22 5.313 -2.683 -10.750
142 1HB CYS 22 HB2 CYS 22 6.091 -0.220 -10.637
143 2HB CYS 22 HB1 CYS 22 4.918 0.071 -11.884
144 H LYS 23 HN LYS 23 5.137 -1.026 -13.867
145 HA LYS 23 HA LYS 23 2.490 -1.785 -14.628
146 1HB LYS 23 HB2 LYS 23 5.000 -1.070 -16.218
147 2HB LYS 23 HB1 LYS 23 3.499 -1.465 -17.039
148 1HG LYS 23 HG2 LYS 23 2.320 0.376 -15.999
149 2HG LYS 23 HG1 LYS 23 3.598 0.587 -14.827
150 1HD LYS 23 HD2 LYS 23 5.095 1.502 -16.417
151 2HD LYS 23 HD1 LYS 23 4.143 0.972 -17.803
152 1HE LYS 23 HE2 LYS 23 2.453 2.671 -17.371
153 2HE LYS 23 HE1 LYS 23 3.080 3.039 -15.788
154 1HZ LYS 23 HZ1 LYS 23 3.741 4.342 -18.130
155 2HZ LYS 23 HZ2 LYS 23 5.100 3.381 -17.761
156 3HZ LYS 23 HZ3 LYS 23 4.484 4.429 -16.582
157 H ARG 24 HN ARG 24 5.648 -3.392 -15.114
158 HA ARG 24 HA ARG 24 4.684 -5.555 -16.630
159 1HB ARG 24 HB2 ARG 24 7.169 -4.763 -15.541
160 2HB ARG 24 HB1 ARG 24 6.806 -6.177 -14.607
161 1HG ARG 24 HG2 ARG 24 6.176 -6.776 -17.380
162 2HG ARG 24 HG1 ARG 24 7.683 -5.902 -17.360
163 1HD ARG 24 HD2 ARG 24 7.142 -8.391 -15.655
164 2HD ARG 24 HD1 ARG 24 7.887 -8.465 -17.242
165 HE ARG 24 HE ARG 24 9.134 -7.006 -14.890
166 1HH1 ARG 24 HH1 ARG 24 9.986 -6.574 -17.732
167 2HH1 ARG 24 HH1 ARG 24 11.347 -7.612 -17.937
168 1HH2 ARG 24 HH2 ARG 24 10.410 -9.367 -14.963
169 2HH2 ARG 24 HH2 ARG 24 11.622 -9.330 -16.181
170 H ARG 25 HN ARG 25 4.343 -4.812 -13.282
171 HA ARG 25 HA ARG 25 3.372 -7.561 -12.663
172 1HB ARG 25 HB2 ARG 25 3.208 -5.322 -10.660
173 2HB ARG 25 HB1 ARG 25 3.611 -7.000 -10.387
174 1HG ARG 25 HG2 ARG 25 5.839 -6.363 -11.807
175 2HG ARG 25 HG1 ARG 25 5.286 -4.745 -11.430
176 1HD ARG 25 HD2 ARG 25 6.270 -4.772 -9.483
177 2HD ARG 25 HD1 ARG 25 5.193 -6.052 -8.932
178 HE ARG 25 HE ARG 25 7.897 -6.557 -10.244
179 1HH1 ARG 25 HH2 ARG 25 7.593 -6.641 -7.349
180 2HH1 ARG 25 HH2 ARG 25 7.349 -8.300 -6.942
181 1HH2 ARG 25 HH1 ARG 25 6.547 -8.855 -10.405
182 2HH2 ARG 25 HH1 ARG 25 6.717 -9.743 -8.920
183 H GLY 26 HN GLY 26 2.000 -5.350 -14.357
184 1HA GLY 26 HA2 GLY 26 -0.237 -4.796 -14.801
185 2HA GLY 26 HA1 GLY 26 -0.692 -6.105 -13.698
186 H TYR 27 HN TYR 27 1.462 -3.738 -12.373
187 HA TYR 27 HA TYR 27 -0.709 -2.837 -10.553
188 1HB TYR 27 HB2 TYR 27 2.294 -2.346 -10.669
189 2HB TYR 27 HB1 TYR 27 1.296 -1.555 -9.498
190 HD1 TYR 27 HD1 TYR 27 3.140 -2.792 -8.105
191 HD2 TYR 27 HD2 TYR 27 -0.056 -4.874 -10.010
192 HE1 TYR 27 HE1 TYR 27 3.422 -4.672 -6.553
193 HE2 TYR 27 HE2 TYR 27 0.240 -6.724 -8.485
194 HH TYR 27 HH TYR 27 1.151 -7.148 -6.192
195 H LYS 28 HN LYS 28 -0.532 -0.370 -9.999
196 HA LYS 28 HA LYS 28 -1.355 1.048 -12.389
197 1HB LYS 28 HB2 LYS 28 -0.763 2.209 -9.613
198 2HB LYS 28 HB1 LYS 28 -1.727 2.944 -10.862
199 1HG LYS 28 HG2 LYS 28 -3.610 1.701 -10.405
200 2HG LYS 28 HG1 LYS 28 -2.721 0.232 -10.057
201 1HD LYS 28 HD2 LYS 28 -1.982 1.197 -7.904
202 2HD LYS 28 HD1 LYS 28 -2.827 2.691 -8.222
203 1HE LYS 28 HE2 LYS 28 -5.011 1.575 -7.993
204 2HE LYS 28 HE1 LYS 28 -4.252 -0.011 -7.903
205 1HZ LYS 28 HZ1 LYS 28 -4.679 1.799 -5.727
206 2HZ LYS 28 HZ2 LYS 28 -3.039 1.637 -5.994
207 3HZ LYS 28 HZ3 LYS 28 -3.924 0.286 -5.689
208 H GLY 29 HN GLY 29 1.135 2.009 -10.047
209 1HA GLY 29 HA2 GLY 29 3.136 2.373 -12.099
210 2HA GLY 29 HA1 GLY 29 2.529 3.909 -11.468
211 H GLY 30 HN GLY 30 5.136 3.582 -10.972
212 1HA GLY 30 HA2 GLY 30 5.291 3.208 -8.114
213 2HA GLY 30 HA1 GLY 30 6.228 2.021 -9.018
214 H HIS 31 HN HIS 31 7.268 3.873 -7.284
215 HA HIS 31 HA HIS 31 9.137 5.422 -9.021
216 1HB HIS 31 HB2 HIS 31 8.799 7.437 -7.313
217 2HB HIS 31 HB1 HIS 31 7.479 7.176 -8.454
218 HD1 HIS 31 HD1 HIS 31 5.425 5.628 -7.430
219 HD2 HIS 31 HD2 HIS 31 8.131 6.898 -4.527
220 HE1 HIS 31 HE1 HIS 31 4.343 5.223 -5.276
221 HE2 HIS 31 HE2 HIS 31 5.963 5.995 -3.571
222 H CYS 32 HN CYS 32 10.798 6.578 -7.506
223 HA CYS 32 HA CYS 32 11.793 4.530 -5.629
224 1HB CYS 32 HB2 CYS 32 13.344 5.782 -7.157
225 2HB CYS 32 HB1 CYS 32 12.879 7.269 -6.373
226 H GLY 33 HN GLY 33 12.176 5.154 -3.394
227 1HA GLY 33 HA2 GLY 33 9.979 6.336 -2.108
228 2HA GLY 33 HA1 GLY 33 11.511 6.057 -1.333
229 H SER 34 HN SER 34 12.957 7.875 -1.163
230 HA SER 34 HA SER 34 12.332 10.399 -2.479
231 1HB SER 34 HB2 SER 34 11.790 10.283 0.542
232 2HB SER 34 HB1 SER 34 11.723 11.732 -0.450
233 HG SER 34 HG SER 34 10.099 10.111 -1.654
234 H PHE 35 HN PHE 35 13.658 9.814 0.817
235 HA PHE 35 HA PHE 35 15.907 11.520 0.111
236 1HB PHE 35 HB2 PHE 35 15.022 11.426 2.454
237 2HB PHE 35 HB1 PHE 35 15.603 9.763 2.571
238 HD1 PHE 35 HD1 PHE 35 16.888 13.176 1.592
239 HD2 PHE 35 HD2 PHE 35 17.751 9.434 3.457
240 HE1 PHE 35 HE1 PHE 35 19.126 13.975 2.177
241 HE2 PHE 35 HE2 PHE 35 19.984 10.246 4.038
242 HZ PHE 35 HZ PHE 35 20.679 12.516 3.401
243 H ALA 36 HN ALA 36 17.790 11.028 -0.485
244 HA ALA 36 HA ALA 36 19.441 9.801 -1.632
245 1HB ALA 36 HB1 ALA 36 19.150 8.297 0.971
246 2HB ALA 36 HB2 ALA 36 20.138 9.766 0.700
247 3HB ALA 36 HB3 ALA 36 20.559 8.228 -0.118
248 H ASN 37 HN ASN 37 16.605 8.688 -2.073
249 HA ASN 37 HA ASN 37 15.655 6.744 -3.124
250 1HB ASN 37 HB2 ASN 37 18.413 5.973 -4.065
251 2HB ASN 37 HB1 ASN 37 16.940 5.973 -4.966
252 1HD2 ASN 37 HD2 ASN 37 19.791 7.675 -4.402
253 2HD2 ASN 37 HD2 ASN 37 19.399 9.095 -5.260
254 H VAL 38 HN VAL 38 15.177 5.487 -1.200
255 HA VAL 38 HA VAL 38 17.258 3.441 -0.523
256 HB VAL 38 HB VAL 38 16.034 3.207 1.650
257 1HG1 VAL 38 HG1 VAL 38 16.937 6.009 0.887
258 2HG1 VAL 38 HG1 VAL 38 17.988 4.646 1.379
259 3HG1 VAL 38 HG1 VAL 38 16.830 5.354 2.544
260 1HG2 VAL 38 HG2 VAL 38 14.503 5.648 0.681
261 2HG2 VAL 38 HG2 VAL 38 14.458 4.942 2.320
262 3HG2 VAL 38 HG2 VAL 38 13.815 4.010 0.944
263 H ASN 39 HN ASN 39 13.772 3.772 -1.204
264 HA ASN 39 HA ASN 39 13.735 0.928 -2.013
265 1HB ASN 39 HB2 ASN 39 11.842 2.333 -0.164
266 2HB ASN 39 HB1 ASN 39 11.405 0.864 -0.958
267 1HD2 ASN 39 HD2 ASN 39 14.588 0.075 -0.345
268 2HD2 ASN 39 HD2 ASN 39 14.344 -0.391 1.267
269 H CYS 40 HN CYS 40 11.969 0.361 -3.516
270 HA CYS 40 HA CYS 40 10.960 2.746 -4.981
271 1HB CYS 40 HB2 CYS 40 12.353 0.389 -5.839
272 2HB CYS 40 HB1 CYS 40 10.705 0.178 -6.363
273 H TRP 41 HN TRP 41 8.891 3.083 -4.645
274 HA TRP 41 HA TRP 41 7.163 0.826 -3.638
275 1HB TRP 41 HB2 TRP 41 6.657 3.783 -3.300
276 2HB TRP 41 HB1 TRP 41 5.779 2.485 -2.523
277 HD1 TRP 41 HD1 TRP 41 9.287 4.216 -2.494
278 HE1 TRP 41 HE1 TRP 41 10.310 3.510 -0.343
279 HE3 TRP 41 HE3 TRP 41 5.859 0.912 -0.976
280 HZ2 TRP 41 HZ2 TRP 41 9.801 1.652 1.898
281 HZ3 TRP 41 HZ3 TRP 41 6.084 -0.355 1.125
282 HH2 TRP 41 HH2 TRP 41 8.068 0.020 2.581
283 H CYS 42 HN CYS 42 5.139 0.480 -4.522
284 HA CYS 42 HA CYS 42 4.552 1.770 -7.119
285 1HB CYS 42 HB2 CYS 42 3.885 -0.882 -5.930
286 2HB CYS 42 HB1 CYS 42 2.834 -0.216 -7.127
287 H GLU 43 HN GLU 43 2.271 2.244 -7.494
288 HA GLU 43 HA GLU 43 1.026 3.322 -5.060
289 1HB GLU 43 HB2 GLU 43 0.444 3.652 -8.013
290 2HB GLU 43 HB1 GLU 43 -0.421 4.434 -6.733
291 1HG GLU 43 HG2 GLU 43 1.148 6.127 -7.016
292 2HG GLU 43 HG1 GLU 43 2.175 5.115 -6.029
293 H THR 44 HN THR 44 0.915 0.336 -5.678
294 HA THR 44 HA THR 44 -1.790 -0.236 -6.413
295 HB THR 44 HB THR 44 -0.897 -2.486 -5.099
296 HG1 THR 44 HG1 THR 44 1.434 -2.153 -6.029
297 1HG2 THR 44 HG2 THR 44 0.214 -1.408 -7.734
298 2HG2 THR 44 HG2 THR 44 -1.387 -2.182 -7.604
299 3HG2 THR 44 HG2 THR 44 0.062 -3.145 -7.254
Start of MODEL 15
1 1H ASP 1 HT1 ASP 1 0.018 1.624 -0.485
2 2H ASP 1 HT2 ASP 1 1.396 2.342 0.190
3 3H ASP 1 HT3 ASP 1 1.197 0.652 0.307
4 HA ASP 1 HA ASP 1 1.129 1.327 -2.405
5 1HB ASP 1 HB2 ASP 1 3.790 2.002 -1.074
6 2HB ASP 1 HB1 ASP 1 3.368 2.244 -2.743
7 H LYS 2 HN LYS 2 2.619 -0.144 -3.444
8 HA LYS 2 HA LYS 2 3.468 -2.377 -1.590
9 1HB LYS 2 HB2 LYS 2 1.681 -2.814 -3.344
10 2HB LYS 2 HB1 LYS 2 2.894 -2.513 -4.573
11 1HG LYS 2 HG2 LYS 2 4.217 -4.416 -3.898
12 2HG LYS 2 HG1 LYS 2 3.296 -4.613 -2.415
13 1HD LYS 2 HD2 LYS 2 1.220 -5.092 -3.865
14 2HD LYS 2 HD1 LYS 2 2.242 -4.902 -5.272
15 1HE LYS 2 HE2 LYS 2 1.877 -7.281 -4.692
16 2HE LYS 2 HE1 LYS 2 3.571 -6.821 -4.751
17 1HZ LYS 2 HZ1 LYS 2 2.167 -7.948 -2.596
18 2HZ LYS 2 HZ2 LYS 2 2.601 -6.382 -2.128
19 3HZ LYS 2 HZ3 LYS 2 3.797 -7.480 -2.649
20 H LEU 3 HN LEU 3 5.586 -2.935 -1.517
21 HA LEU 3 HA LEU 3 7.561 -1.300 -2.996
22 1HB LEU 3 HB2 LEU 3 7.898 -1.685 -0.548
23 2HB LEU 3 HB1 LEU 3 7.857 -3.416 -0.808
24 HG LEU 3 HG LEU 3 9.947 -2.861 -2.474
25 1HD1 LEU 3 HD1 LEU 3 11.357 -1.152 -1.553
26 2HD1 LEU 3 HD1 LEU 3 10.105 -0.757 -0.331
27 3HD1 LEU 3 HD1 LEU 3 9.793 -0.442 -2.058
28 1HD2 LEU 3 HD2 LEU 3 10.231 -3.018 0.526
29 2HD2 LEU 3 HD2 LEU 3 11.476 -3.399 -0.701
30 3HD2 LEU 3 HD2 LEU 3 10.005 -4.403 -0.587
31 H ILE 4 HN ILE 4 8.051 -2.037 -5.019
32 HA ILE 4 HA ILE 4 8.093 -5.020 -5.465
33 HB ILE 4 HB ILE 4 8.054 -4.586 -7.804
34 1HG1 ILE 4 HG1 ILE 4 7.684 -1.747 -8.043
35 2HG1 ILE 4 HG1 ILE 4 9.122 -1.971 -7.075
36 1HG2 ILE 4 HG2 ILE 4 5.931 -3.438 -8.071
37 2HG2 ILE 4 HG2 ILE 4 6.064 -2.816 -6.401
38 3HG2 ILE 4 HG2 ILE 4 5.979 -4.579 -6.683
39 1HD1 ILE 4 HD1 ILE 4 9.954 -3.645 -8.693
40 2HD1 ILE 4 HD2 ILE 4 9.701 -2.027 -9.419
41 3HD1 ILE 4 HD3 ILE 4 8.507 -3.319 -9.703
42 H GLY 5 HN GLY 5 10.305 -2.511 -4.802
43 1HA GLY 5 HA2 GLY 5 12.553 -4.291 -5.020
44 2HA GLY 5 HA1 GLY 5 12.566 -3.177 -6.375
45 H SER 6 HN SER 6 14.615 -2.790 -4.945
46 HA SER 6 HA SER 6 14.116 -0.778 -2.841
47 1HB SER 6 HB2 SER 6 15.599 -2.727 -2.160
48 2HB SER 6 HB1 SER 6 16.705 -2.294 -3.458
49 HG SER 6 HG SER 6 15.926 -0.589 -1.273
50 H CYS 7 HN CYS 7 16.034 0.905 -2.799
51 HA CYS 7 HA CYS 7 16.503 1.891 -5.594
52 1HB CYS 7 HB2 CYS 7 15.895 3.430 -3.107
53 2HB CYS 7 HB1 CYS 7 16.448 4.077 -4.608
54 H VAL 8 HN VAL 8 18.172 0.282 -3.662
55 HA VAL 8 HA VAL 8 20.392 2.222 -3.169
56 HB VAL 8 HB VAL 8 19.902 -0.566 -2.059
57 1HG1 VAL 8 HG1 VAL 8 21.879 1.574 -1.215
58 2HG1 VAL 8 HG1 VAL 8 22.273 0.045 -2.060
59 3HG1 VAL 8 HG1 VAL 8 21.615 0.000 -0.404
60 1HG2 VAL 8 HG2 VAL 8 19.496 2.191 -0.843
61 2HG2 VAL 8 HG2 VAL 8 19.283 0.627 0.007
62 3HG2 VAL 8 HG2 VAL 8 18.215 1.047 -1.355
63 H TRP 9 HN TRP 9 21.126 2.263 -5.221
64 HA TRP 9 HA TRP 9 21.732 0.309 -7.104
65 1HB TRP 9 HB2 TRP 9 22.165 2.750 -7.399
66 2HB TRP 9 HB1 TRP 9 23.586 2.603 -6.369
67 HD1 TRP 9 HD1 TRP 9 25.825 1.957 -7.559
68 HE1 TRP 9 HE1 TRP 9 26.297 1.167 -9.901
69 HE3 TRP 9 HE3 TRP 9 21.180 1.250 -9.190
70 HZ2 TRP 9 HZ2 TRP 9 24.911 0.304 -12.299
71 HZ3 TRP 9 HZ3 TRP 9 20.707 0.442 -11.505
72 HH2 TRP 9 HH2 TRP 9 22.572 -0.028 -13.048
73 H GLY 10 HN GLY 10 22.466 -1.687 -6.537
74 1HA GLY 10 HA2 GLY 10 24.792 -2.772 -6.393
75 2HA GLY 10 HA1 GLY 10 24.948 -1.889 -4.871
76 H ALA 11 HN ALA 11 22.058 -2.276 -4.266
77 HA ALA 11 HA ALA 11 22.319 -4.800 -2.851
78 1HB ALA 11 HB1 ALA 11 19.969 -4.375 -2.163
79 2HB ALA 11 HB2 ALA 11 19.876 -3.064 -3.381
80 3HB ALA 11 HB3 ALA 11 20.974 -2.907 -1.980
81 H VAL 12 HN VAL 12 20.837 -6.664 -3.161
82 HA VAL 12 HA VAL 12 20.572 -7.260 -6.030
83 HB VAL 12 HB VAL 12 19.772 -9.034 -3.748
84 1HG1 VAL 12 HG1 VAL 12 19.162 -9.863 -5.936
85 2HG1 VAL 12 HG1 VAL 12 20.465 -10.861 -5.243
86 3HG1 VAL 12 HG1 VAL 12 20.847 -9.644 -6.500
87 1HG2 VAL 12 HG2 VAL 12 22.548 -8.694 -4.904
88 2HG2 VAL 12 HG2 VAL 12 22.061 -9.984 -3.759
89 3HG2 VAL 12 HG2 VAL 12 22.043 -8.279 -3.238
90 H ASN 13 HN ASN 13 18.869 -5.254 -5.423
91 HA ASN 13 HA ASN 13 16.316 -6.377 -6.273
92 1HB ASN 13 HB2 ASN 13 16.758 -5.920 -3.409
93 2HB ASN 13 HB1 ASN 13 15.387 -4.975 -3.972
94 1HD2 ASN 13 HD2 ASN 13 16.133 -8.069 -2.818
95 2HD2 ASN 13 HD2 ASN 13 14.790 -8.858 -3.516
96 H TYR 14 HN TYR 14 18.366 -4.053 -6.780
97 HA TYR 14 HA TYR 14 16.715 -1.673 -6.529
98 1HB TYR 14 HB2 TYR 14 19.202 -1.647 -6.589
99 2HB TYR 14 HB1 TYR 14 19.133 -2.243 -8.244
100 HD1 TYR 14 HD1 TYR 14 18.178 0.652 -6.126
101 HD2 TYR 14 HD2 TYR 14 18.923 -0.754 -10.054
102 HE1 TYR 14 HE1 TYR 14 18.051 2.982 -6.930
103 HE2 TYR 14 HE2 TYR 14 18.808 1.559 -10.888
104 HH TYR 14 HH TYR 14 18.302 4.316 -8.850
105 H THR 15 HN THR 15 15.534 -0.644 -8.070
106 HA THR 15 HA THR 15 14.927 -2.110 -10.586
107 HB THR 15 HB THR 15 12.711 -0.602 -10.145
108 HG1 THR 15 HG1 THR 15 12.673 0.079 -8.126
109 1HG2 THR 15 HG2 THR 15 11.754 -2.575 -8.988
110 2HG2 THR 15 HG2 THR 15 13.396 -3.182 -8.674
111 3HG2 THR 15 HG2 THR 15 12.784 -3.104 -10.358
112 H SER 16 HN SER 16 16.259 -0.958 -12.012
113 HA SER 16 HA SER 16 16.610 1.857 -11.996
114 1HB SER 16 HB2 SER 16 17.926 0.192 -13.440
115 2HB SER 16 HB1 SER 16 16.503 0.087 -14.503
116 HG SER 16 HG SER 16 18.326 2.083 -14.298
117 H ASP 17 HN ASP 17 14.158 -0.082 -13.656
118 HA ASP 17 HA ASP 17 12.657 2.441 -14.273
119 1HB ASP 17 HB2 ASP 17 13.439 0.661 -16.081
120 2HB ASP 17 HB1 ASP 17 12.067 -0.262 -15.470
121 H CYS 18 HN CYS 18 12.141 2.319 -11.974
122 HA CYS 18 HA CYS 18 10.711 0.403 -10.537
123 1HB CYS 18 HB2 CYS 18 11.546 2.707 -9.895
124 2HB CYS 18 HB1 CYS 18 10.025 3.256 -10.522
125 H ASN 19 HN ASN 19 9.193 2.937 -12.547
126 HA ASN 19 HA ASN 19 6.558 1.797 -12.196
127 1HB ASN 19 HB2 ASN 19 7.028 4.240 -12.852
128 2HB ASN 19 HB1 ASN 19 7.299 3.660 -14.486
129 1HD2 ASN 19 HD2 ASN 19 4.889 1.531 -13.585
130 2HD2 ASN 19 HD2 ASN 19 3.547 2.528 -13.892
131 H GLY 20 HN GLY 20 9.055 1.449 -14.758
132 1HA GLY 20 HA2 GLY 20 7.500 0.106 -16.692
133 2HA GLY 20 HA1 GLY 20 9.237 -0.130 -16.444
134 H GLU 21 HN GLU 21 9.514 -1.219 -14.100
135 HA GLU 21 HA GLU 21 8.731 -3.962 -14.355
136 1HB GLU 21 HB2 GLU 21 10.615 -3.064 -12.950
137 2HB GLU 21 HB1 GLU 21 9.467 -2.430 -11.830
138 1HG GLU 21 HG2 GLU 21 10.347 -4.617 -10.985
139 2HG GLU 21 HG1 GLU 21 8.623 -4.711 -11.268
140 H CYS 22 HN CYS 22 7.441 -1.366 -12.300
141 HA CYS 22 HA CYS 22 5.442 -2.650 -10.919
142 1HB CYS 22 HB2 CYS 22 6.198 -0.070 -11.842
143 2HB CYS 22 HB1 CYS 22 4.558 -0.149 -11.721
144 H LYS 23 HN LYS 23 5.207 -1.091 -14.104
145 HA LYS 23 HA LYS 23 2.518 -1.734 -14.693
146 1HB LYS 23 HB2 LYS 23 4.987 -1.169 -16.362
147 2HB LYS 23 HB1 LYS 23 3.568 -1.703 -17.207
148 1HG LYS 23 HG2 LYS 23 3.741 0.711 -15.334
149 2HG LYS 23 HG1 LYS 23 3.826 0.839 -17.070
150 1HD LYS 23 HD2 LYS 23 1.413 -0.079 -15.411
151 2HD LYS 23 HD1 LYS 23 1.556 1.405 -16.320
152 1HE LYS 23 HE2 LYS 23 1.745 0.033 -18.471
153 2HE LYS 23 HE1 LYS 23 1.478 -1.422 -17.521
154 1HZ LYS 23 HZ1 LYS 23 -0.587 0.389 -16.904
155 2HZ LYS 23 HZ2 LYS 23 -0.671 -1.119 -17.667
156 3HZ LYS 23 HZ3 LYS 23 -0.450 0.287 -18.590
157 H ARG 24 HN ARG 24 5.543 -3.476 -15.333
158 HA ARG 24 HA ARG 24 4.370 -5.671 -16.667
159 1HB ARG 24 HB2 ARG 24 6.935 -4.968 -15.830
160 2HB ARG 24 HB1 ARG 24 6.558 -6.290 -14.756
161 1HG ARG 24 HG2 ARG 24 5.674 -7.275 -17.208
162 2HG ARG 24 HG1 ARG 24 6.979 -6.215 -17.702
163 1HD ARG 24 HD2 ARG 24 7.079 -8.617 -15.813
164 2HD ARG 24 HD1 ARG 24 7.978 -8.449 -17.303
165 HE ARG 24 HE ARG 24 8.480 -6.832 -14.801
166 1HH1 ARG 24 HH1 ARG 24 9.443 -7.058 -18.029
167 2HH1 ARG 24 HH1 ARG 24 11.123 -7.154 -17.688
168 1HH2 ARG 24 HH2 ARG 24 10.539 -7.316 -14.218
169 2HH2 ARG 24 HH2 ARG 24 11.803 -7.344 -15.372
170 H ARG 25 HN ARG 25 4.316 -4.774 -13.330
171 HA ARG 25 HA ARG 25 3.349 -7.455 -12.513
172 1HB ARG 25 HB2 ARG 25 3.362 -5.087 -10.667
173 2HB ARG 25 HB1 ARG 25 3.706 -6.758 -10.285
174 1HG ARG 25 HG2 ARG 25 5.751 -6.036 -12.131
175 2HG ARG 25 HG1 ARG 25 5.474 -4.588 -11.213
176 1HD ARG 25 HD2 ARG 25 6.962 -5.427 -9.760
177 2HD ARG 25 HD1 ARG 25 5.655 -6.502 -9.233
178 HE ARG 25 HE ARG 25 7.638 -7.171 -11.431
179 1HH1 ARG 25 HH2 ARG 25 7.021 -7.840 -8.337
180 2HH1 ARG 25 HH2 ARG 25 6.794 -9.554 -8.436
181 1HH2 ARG 25 HH1 ARG 25 6.678 -9.359 -11.980
182 2HH2 ARG 25 HH1 ARG 25 6.597 -10.476 -10.683
183 H GLY 26 HN GLY 26 1.892 -5.251 -14.211
184 1HA GLY 26 HA2 GLY 26 -0.364 -4.748 -14.528
185 2HA GLY 26 HA1 GLY 26 -0.743 -5.983 -13.316
186 H TYR 27 HN TYR 27 1.519 -3.555 -12.271
187 HA TYR 27 HA TYR 27 -0.592 -2.531 -10.432
188 1HB TYR 27 HB2 TYR 27 2.408 -1.913 -10.576
189 2HB TYR 27 HB1 TYR 27 1.329 -1.353 -9.320
190 HD1 TYR 27 HD1 TYR 27 0.011 -4.547 -9.880
191 HD2 TYR 27 HD2 TYR 27 3.550 -2.707 -8.367
192 HE1 TYR 27 HE1 TYR 27 0.490 -6.539 -8.612
193 HE2 TYR 27 HE2 TYR 27 4.009 -4.746 -7.082
194 HH TYR 27 HH TYR 27 2.667 -7.604 -7.693
195 H LYS 28 HN LYS 28 -0.748 -0.220 -10.061
196 HA LYS 28 HA LYS 28 -1.505 1.210 -12.413
197 1HB LYS 28 HB2 LYS 28 -0.846 2.295 -9.612
198 2HB LYS 28 HB1 LYS 28 -1.808 3.139 -10.791
199 1HG LYS 28 HG2 LYS 28 -3.723 1.858 -10.353
200 2HG LYS 28 HG1 LYS 28 -2.828 0.431 -9.879
201 1HD LYS 28 HD2 LYS 28 -2.200 1.497 -7.713
202 2HD LYS 28 HD1 LYS 28 -2.935 3.005 -8.168
203 1HE LYS 28 HE2 LYS 28 -5.136 2.064 -7.900
204 2HE LYS 28 HE1 LYS 28 -4.540 0.418 -7.922
205 1HZ LYS 28 HZ1 LYS 28 -4.905 2.063 -5.656
206 2HZ LYS 28 HZ2 LYS 28 -3.241 1.787 -5.789
207 3HZ LYS 28 HZ3 LYS 28 -4.285 0.477 -5.748
208 H GLY 29 HN GLY 29 1.001 2.076 -10.083
209 1HA GLY 29 HA2 GLY 29 3.120 2.363 -11.960
210 2HA GLY 29 HA1 GLY 29 2.408 3.961 -11.649
211 H GLY 30 HN GLY 30 5.077 3.369 -10.871
212 1HA GLY 30 HA2 GLY 30 4.797 3.627 -7.963
213 2HA GLY 30 HA1 GLY 30 5.858 2.334 -8.568
214 H HIS 31 HN HIS 31 7.411 3.664 -7.296
215 HA HIS 31 HA HIS 31 9.151 5.209 -9.007
216 1HB HIS 31 HB2 HIS 31 8.880 7.396 -7.484
217 2HB HIS 31 HB1 HIS 31 7.654 7.123 -8.716
218 HD1 HIS 31 HD1 HIS 31 5.314 6.279 -7.836
219 HD2 HIS 31 HD2 HIS 31 8.040 6.825 -4.710
220 HE1 HIS 31 HE1 HIS 31 3.997 6.138 -5.738
221 HE2 HIS 31 HE2 HIS 31 5.646 6.473 -3.917
222 H CYS 32 HN CYS 32 10.872 6.392 -7.568
223 HA CYS 32 HA CYS 32 11.690 4.432 -5.536
224 1HB CYS 32 HB2 CYS 32 13.467 5.546 -6.980
225 2HB CYS 32 HB1 CYS 32 13.033 7.077 -6.236
226 H GLY 33 HN GLY 33 12.078 5.124 -3.322
227 1HA GLY 33 HA2 GLY 33 9.905 6.548 -2.197
228 2HA GLY 33 HA1 GLY 33 11.323 6.110 -1.310
229 H SER 34 HN SER 34 12.925 7.834 -1.016
230 HA SER 34 HA SER 34 12.805 10.284 -2.539
231 1HB SER 34 HB2 SER 34 11.711 10.427 0.327
232 2HB SER 34 HB1 SER 34 12.140 11.829 -0.644
233 HG SER 34 HG SER 34 10.474 10.376 -2.110
234 H PHE 35 HN PHE 35 13.450 9.762 0.947
235 HA PHE 35 HA PHE 35 15.868 11.261 0.852
236 1HB PHE 35 HB2 PHE 35 14.455 10.447 2.907
237 2HB PHE 35 HB1 PHE 35 15.502 9.033 2.835
238 HD1 PHE 35 HD1 PHE 35 18.131 9.592 2.714
239 HD2 PHE 35 HD2 PHE 35 15.154 12.293 4.147
240 HE1 PHE 35 HE1 PHE 35 19.844 10.858 3.916
241 HE2 PHE 35 HE2 PHE 35 16.876 13.550 5.345
242 HZ PHE 35 HZ PHE 35 19.226 12.840 5.236
243 H ALA 36 HN ALA 36 17.687 10.814 0.172
244 HA ALA 36 HA ALA 36 19.353 9.722 -1.140
245 1HB ALA 36 HB1 ALA 36 19.160 8.028 1.359
246 2HB ALA 36 HB2 ALA 36 20.092 9.554 1.178
247 3HB ALA 36 HB3 ALA 36 20.548 8.095 0.245
248 H ASN 37 HN ASN 37 16.613 8.609 -1.701
249 HA ASN 37 HA ASN 37 15.632 6.671 -2.817
250 1HB ASN 37 HB2 ASN 37 18.454 6.622 -3.919
251 2HB ASN 37 HB1 ASN 37 17.094 5.821 -4.641
252 1HD2 ASN 37 HD2 ASN 37 16.266 9.019 -3.416
253 2HD2 ASN 37 HD2 ASN 37 16.311 9.730 -4.947
254 H VAL 38 HN VAL 38 15.303 5.334 -0.937
255 HA VAL 38 HA VAL 38 17.384 3.213 -0.539
256 HB VAL 38 HB VAL 38 16.345 2.893 1.723
257 1HG1 VAL 38 HG1 VAL 38 17.222 4.970 2.689
258 2HG1 VAL 38 HG1 VAL 38 17.187 5.737 1.073
259 3HG1 VAL 38 HG1 VAL 38 18.280 4.357 1.384
260 1HG2 VAL 38 HG2 VAL 38 14.083 3.754 1.243
261 2HG2 VAL 38 HG2 VAL 38 14.773 5.398 1.024
262 3HG2 VAL 38 HG2 VAL 38 14.845 4.600 2.617
263 H ASN 39 HN ASN 39 13.903 3.709 -1.087
264 HA ASN 39 HA ASN 39 13.764 0.893 -1.931
265 1HB ASN 39 HB2 ASN 39 12.083 2.231 0.199
266 2HB ASN 39 HB1 ASN 39 11.489 0.851 -0.674
267 1HD2 ASN 39 HD2 ASN 39 12.446 1.116 2.285
268 2HD2 ASN 39 HD2 ASN 39 13.625 -0.099 2.390
269 H CYS 40 HN CYS 40 11.794 0.394 -3.292
270 HA CYS 40 HA CYS 40 10.846 2.871 -4.648
271 1HB CYS 40 HB2 CYS 40 12.267 0.705 -5.749
272 2HB CYS 40 HB1 CYS 40 10.617 0.359 -6.188
273 H TRP 41 HN TRP 41 8.802 3.233 -4.398
274 HA TRP 41 HA TRP 41 7.032 1.003 -3.416
275 1HB TRP 41 HB2 TRP 41 6.500 3.997 -3.251
276 2HB TRP 41 HB1 TRP 41 5.572 2.728 -2.459
277 HD1 TRP 41 HD1 TRP 41 8.959 4.559 -2.320
278 HE1 TRP 41 HE1 TRP 41 10.076 3.792 -0.226
279 HE3 TRP 41 HE3 TRP 41 5.772 0.951 -0.884
280 HZ2 TRP 41 HZ2 TRP 41 9.732 1.871 1.924
281 HZ3 TRP 41 HZ3 TRP 41 6.151 -0.362 1.175
282 HH2 TRP 41 HH2 TRP 41 8.129 0.097 2.589
283 H CYS 42 HN CYS 42 4.942 0.697 -4.281
284 HA CYS 42 HA CYS 42 4.435 2.008 -6.904
285 1HB CYS 42 HB2 CYS 42 5.413 -0.415 -6.896
286 2HB CYS 42 HB1 CYS 42 3.804 -0.859 -6.413
287 H GLU 43 HN GLU 43 2.182 1.506 -7.634
288 HA GLU 43 HA GLU 43 0.351 1.729 -5.288
289 1HB GLU 43 HB2 GLU 43 0.834 3.384 -7.689
290 2HB GLU 43 HB1 GLU 43 -0.854 2.981 -7.537
291 1HG GLU 43 HG2 GLU 43 0.719 3.882 -5.125
292 2HG GLU 43 HG1 GLU 43 0.053 5.040 -6.245
293 H THR 44 HN THR 44 -1.023 0.095 -5.016
294 HA THR 44 HA THR 44 -1.951 -1.429 -7.411
295 HB THR 44 HB THR 44 -1.825 -3.511 -5.879
296 HG1 THR 44 HG1 THR 44 -1.764 -1.771 -4.167
297 1HG2 THR 44 HG2 THR 44 0.809 -1.959 -5.998
298 2HG2 THR 44 HG2 THR 44 0.129 -2.851 -7.388
299 3HG2 THR 44 HG2 THR 44 0.603 -3.739 -5.910
Start of MODEL 16
1 1H ASP 1 HT1 ASP 1 0.174 0.543 -0.357
2 2H ASP 1 HT2 ASP 1 -0.387 1.765 -1.417
3 3H ASP 1 HT3 ASP 1 0.428 2.184 0.030
4 HA ASP 1 HA ASP 1 1.478 1.751 -2.480
5 1HB ASP 1 HB2 ASP 1 2.722 2.232 0.270
6 2HB ASP 1 HB1 ASP 1 3.705 2.091 -1.176
7 H LYS 2 HN LYS 2 2.849 0.286 -3.320
8 HA LYS 2 HA LYS 2 3.251 -2.220 -1.695
9 1HB LYS 2 HB2 LYS 2 1.519 -2.189 -3.615
10 2HB LYS 2 HB1 LYS 2 2.919 -2.247 -4.684
11 1HG LYS 2 HG2 LYS 2 3.744 -4.293 -3.448
12 2HG LYS 2 HG1 LYS 2 2.270 -4.277 -2.492
13 1HD LYS 2 HD2 LYS 2 2.368 -4.420 -5.523
14 2HD LYS 2 HD1 LYS 2 2.237 -5.841 -4.496
15 1HE LYS 2 HE2 LYS 2 0.056 -5.062 -3.637
16 2HE LYS 2 HE1 LYS 2 0.172 -3.559 -4.541
17 1HZ LYS 2 HZ1 LYS 2 0.610 -5.725 -6.286
18 2HZ LYS 2 HZ2 LYS 2 -0.588 -4.482 -6.259
19 3HZ LYS 2 HZ3 LYS 2 -0.839 -5.978 -5.473
20 H LEU 3 HN LEU 3 5.299 -2.725 -1.391
21 HA LEU 3 HA LEU 3 7.454 -1.381 -2.893
22 1HB LEU 3 HB2 LEU 3 7.384 -1.894 -0.348
23 2HB LEU 3 HB1 LEU 3 7.678 -3.564 -0.789
24 HG LEU 3 HG LEU 3 9.741 -2.599 -2.131
25 1HD1 LEU 3 HD1 LEU 3 9.255 -0.422 -0.085
26 2HD1 LEU 3 HD1 LEU 3 8.983 -0.239 -1.835
27 3HD1 LEU 3 HD1 LEU 3 10.629 -0.578 -1.236
28 1HD2 LEU 3 HD2 LEU 3 9.677 -2.608 0.897
29 2HD2 LEU 3 HD2 LEU 3 11.132 -2.749 -0.143
30 3HD2 LEU 3 HD2 LEU 3 9.897 -4.030 -0.171
31 H ILE 4 HN ILE 4 8.278 -2.154 -4.692
32 HA ILE 4 HA ILE 4 8.039 -5.132 -5.232
33 HB ILE 4 HB ILE 4 8.074 -4.635 -7.568
34 1HG1 ILE 4 HG1 ILE 4 7.666 -1.844 -7.843
35 2HG1 ILE 4 HG1 ILE 4 9.016 -1.985 -6.746
36 1HG2 ILE 4 HG2 ILE 4 5.929 -4.646 -6.440
37 2HG2 ILE 4 HG2 ILE 4 5.935 -3.475 -7.798
38 3HG2 ILE 4 HG2 ILE 4 6.061 -2.893 -6.114
39 1HD1 ILE 4 HD1 ILE 4 9.773 -2.020 -9.055
40 2HD1 ILE 4 HD2 ILE 4 8.706 -3.399 -9.402
41 3HD1 ILE 4 HD3 ILE 4 10.097 -3.605 -8.282
42 H GLY 5 HN GLY 5 10.290 -2.600 -4.656
43 1HA GLY 5 HA2 GLY 5 12.492 -4.454 -4.669
44 2HA GLY 5 HA1 GLY 5 12.566 -3.475 -6.121
45 H SER 6 HN SER 6 14.667 -2.902 -4.889
46 HA SER 6 HA SER 6 14.157 -0.847 -2.773
47 1HB SER 6 HB2 SER 6 15.933 -2.705 -2.281
48 2HB SER 6 HB1 SER 6 16.895 -1.983 -3.563
49 HG SER 6 HG SER 6 15.833 -0.574 -1.305
50 H CYS 7 HN CYS 7 15.956 0.965 -2.896
51 HA CYS 7 HA CYS 7 16.320 1.815 -5.746
52 1HB CYS 7 HB2 CYS 7 14.216 2.781 -4.814
53 2HB CYS 7 HB1 CYS 7 15.165 3.602 -3.593
54 H VAL 8 HN VAL 8 17.953 0.887 -3.338
55 HA VAL 8 HA VAL 8 19.650 3.081 -2.528
56 HB VAL 8 HB VAL 8 19.983 0.051 -2.513
57 1HG1 VAL 8 HG1 VAL 8 22.187 1.077 -2.368
58 2HG1 VAL 8 HG1 VAL 8 21.717 0.346 -0.808
59 3HG1 VAL 8 HG1 VAL 8 21.619 2.119 -1.032
60 1HG2 VAL 8 HG2 VAL 8 19.392 0.239 -0.149
61 2HG2 VAL 8 HG2 VAL 8 18.111 0.869 -1.208
62 3HG2 VAL 8 HG2 VAL 8 19.191 2.009 -0.344
63 H TRP 9 HN TRP 9 19.648 1.110 -5.291
64 HA TRP 9 HA TRP 9 20.975 1.082 -7.246
65 1HB TRP 9 HB2 TRP 9 20.978 3.764 -6.388
66 2HB TRP 9 HB1 TRP 9 22.681 3.415 -6.568
67 HD1 TRP 9 HD1 TRP 9 20.653 5.288 -8.428
68 HE1 TRP 9 HE1 TRP 9 20.821 4.864 -10.880
69 HE3 TRP 9 HE3 TRP 9 22.792 0.700 -8.459
70 HZ2 TRP 9 HZ2 TRP 9 21.713 2.869 -12.750
71 HZ3 TRP 9 HZ3 TRP 9 23.288 -0.448 -10.560
72 HH2 TRP 9 HH2 TRP 9 22.753 0.626 -12.705
73 H GLY 10 HN GLY 10 22.095 -0.787 -6.738
74 1HA GLY 10 HA2 GLY 10 24.680 -1.270 -6.811
75 2HA GLY 10 HA1 GLY 10 24.661 -0.556 -5.196
76 H ALA 11 HN ALA 11 22.057 -1.622 -4.557
77 HA ALA 11 HA ALA 11 22.863 -4.175 -3.458
78 1HB ALA 11 HB1 ALA 11 21.167 -2.698 -2.397
79 2HB ALA 11 HB2 ALA 11 20.486 -4.320 -2.711
80 3HB ALA 11 HB3 ALA 11 20.088 -2.960 -3.802
81 H VAL 12 HN VAL 12 21.725 -6.286 -3.931
82 HA VAL 12 HA VAL 12 21.587 -6.655 -6.843
83 HB VAL 12 HB VAL 12 22.857 -8.119 -5.267
84 1HG1 VAL 12 HG1 VAL 12 21.342 -8.133 -3.371
85 2HG1 VAL 12 HG1 VAL 12 21.696 -9.796 -3.918
86 3HG1 VAL 12 HG1 VAL 12 20.134 -9.033 -4.336
87 1HG2 VAL 12 HG2 VAL 12 20.715 -9.595 -6.795
88 2HG2 VAL 12 HG2 VAL 12 22.249 -10.283 -6.192
89 3HG2 VAL 12 HG2 VAL 12 22.276 -8.990 -7.429
90 H ASN 13 HN ASN 13 19.543 -5.098 -5.857
91 HA ASN 13 HA ASN 13 17.163 -6.555 -6.873
92 1HB ASN 13 HB2 ASN 13 17.142 -5.370 -4.117
93 2HB ASN 13 HB1 ASN 13 15.699 -5.909 -4.920
94 1HD2 ASN 13 HD2 ASN 13 15.061 -7.969 -4.504
95 2HD2 ASN 13 HD2 ASN 13 16.025 -9.141 -3.750
96 H TYR 14 HN TYR 14 18.837 -3.925 -7.299
97 HA TYR 14 HA TYR 14 16.825 -1.852 -6.830
98 1HB TYR 14 HB2 TYR 14 19.214 -1.319 -6.789
99 2HB TYR 14 HB1 TYR 14 19.374 -1.866 -8.453
100 HD1 TYR 14 HD1 TYR 14 18.577 -0.498 -10.317
101 HD2 TYR 14 HD2 TYR 14 18.113 0.853 -6.309
102 HE1 TYR 14 HE1 TYR 14 18.066 1.747 -11.117
103 HE2 TYR 14 HE2 TYR 14 17.602 3.119 -7.109
104 HH TYR 14 HH TYR 14 17.594 3.859 -10.566
105 H THR 15 HN THR 15 15.486 -0.921 -8.280
106 HA THR 15 HA THR 15 14.898 -2.478 -10.714
107 HB THR 15 HB THR 15 12.804 -0.827 -10.498
108 HG1 THR 15 HG1 THR 15 13.502 0.564 -8.977
109 1HG2 THR 15 HG2 THR 15 12.769 -3.287 -9.785
110 2HG2 THR 15 HG2 THR 15 11.838 -2.192 -8.711
111 3HG2 THR 15 HG2 THR 15 13.450 -2.760 -8.213
112 H SER 16 HN SER 16 16.101 -1.739 -12.533
113 HA SER 16 HA SER 16 17.079 0.843 -12.874
114 1HB SER 16 HB2 SER 16 16.332 -1.506 -14.664
115 2HB SER 16 HB1 SER 16 16.990 -0.026 -15.326
116 HG SER 16 HG SER 16 18.853 -0.783 -14.649
117 H ASP 17 HN ASP 17 13.929 -0.543 -13.604
118 HA ASP 17 HA ASP 17 12.923 2.216 -14.151
119 1HB ASP 17 HB2 ASP 17 13.194 0.601 -16.264
120 2HB ASP 17 HB1 ASP 17 11.702 -0.112 -15.642
121 H CYS 18 HN CYS 18 12.267 2.236 -12.048
122 HA CYS 18 HA CYS 18 10.865 0.437 -10.464
123 1HB CYS 18 HB2 CYS 18 11.754 2.777 -10.045
124 2HB CYS 18 HB1 CYS 18 10.207 3.292 -10.635
125 H ASN 19 HN ASN 19 9.197 2.943 -12.362
126 HA ASN 19 HA ASN 19 6.633 1.682 -12.028
127 1HB ASN 19 HB2 ASN 19 6.938 4.148 -12.525
128 2HB ASN 19 HB1 ASN 19 7.460 3.733 -14.149
129 1HD2 ASN 19 HD2 ASN 19 5.000 1.458 -13.441
130 2HD2 ASN 19 HD2 ASN 19 3.716 2.378 -14.042
131 H GLY 20 HN GLY 20 8.946 1.647 -14.783
132 1HA GLY 20 HA2 GLY 20 7.432 0.270 -16.680
133 2HA GLY 20 HA1 GLY 20 9.171 0.056 -16.492
134 H GLU 21 HN GLU 21 9.461 -1.081 -14.090
135 HA GLU 21 HA GLU 21 8.763 -3.811 -14.545
136 1HB GLU 21 HB2 GLU 21 10.701 -3.119 -13.182
137 2HB GLU 21 HB1 GLU 21 9.668 -2.378 -12.005
138 1HG GLU 21 HG2 GLU 21 10.434 -4.617 -11.195
139 2HG GLU 21 HG1 GLU 21 8.689 -4.574 -11.401
140 H CYS 22 HN CYS 22 7.627 -1.620 -11.991
141 HA CYS 22 HA CYS 22 5.668 -3.197 -10.813
142 1HB CYS 22 HB2 CYS 22 6.590 -0.715 -10.518
143 2HB CYS 22 HB1 CYS 22 5.052 -0.344 -11.199
144 H LYS 23 HN LYS 23 5.303 -1.137 -13.669
145 HA LYS 23 HA LYS 23 2.552 -1.636 -14.124
146 1HB LYS 23 HB2 LYS 23 4.280 0.115 -15.109
147 2HB LYS 23 HB1 LYS 23 4.621 -1.119 -16.296
148 1HG LYS 23 HG2 LYS 23 2.467 -1.043 -17.205
149 2HG LYS 23 HG1 LYS 23 1.734 -0.408 -15.735
150 1HD LYS 23 HD2 LYS 23 3.181 1.664 -16.066
151 2HD LYS 23 HD1 LYS 23 3.554 1.050 -17.670
152 1HE LYS 23 HE2 LYS 23 1.180 1.101 -18.310
153 2HE LYS 23 HE1 LYS 23 0.702 1.454 -16.652
154 1HZ LYS 23 HZ1 LYS 23 2.557 3.390 -17.380
155 2HZ LYS 23 HZ2 LYS 23 0.914 3.582 -17.067
156 3HZ LYS 23 HZ3 LYS 23 1.422 3.287 -18.666
157 H ARG 24 HN ARG 24 5.530 -3.201 -15.309
158 HA ARG 24 HA ARG 24 4.246 -5.167 -16.887
159 1HB ARG 24 HB2 ARG 24 6.850 -4.392 -16.259
160 2HB ARG 24 HB1 ARG 24 6.742 -5.877 -15.370
161 1HG ARG 24 HG2 ARG 24 5.852 -5.682 -18.271
162 2HG ARG 24 HG1 ARG 24 7.551 -5.819 -17.890
163 1HD ARG 24 HD2 ARG 24 5.429 -7.792 -16.866
164 2HD ARG 24 HD1 ARG 24 6.411 -8.080 -18.292
165 HE ARG 24 HE ARG 24 7.675 -7.562 -15.596
166 1HH1 ARG 24 HH1 ARG 24 9.295 -7.735 -17.999
167 2HH1 ARG 24 HH1 ARG 24 9.842 -9.370 -18.080
168 1HH2 ARG 24 HH2 ARG 24 7.275 -10.264 -15.754
169 2HH2 ARG 24 HH2 ARG 24 8.566 -10.972 -16.664
170 H ARG 25 HN ARG 25 4.430 -4.768 -13.473
171 HA ARG 25 HA ARG 25 3.703 -7.583 -12.902
172 1HB ARG 25 HB2 ARG 25 3.580 -5.317 -10.911
173 2HB ARG 25 HB1 ARG 25 3.863 -7.019 -10.600
174 1HG ARG 25 HG2 ARG 25 5.987 -6.529 -12.243
175 2HG ARG 25 HG1 ARG 25 5.661 -4.915 -11.687
176 1HD ARG 25 HD2 ARG 25 6.511 -5.256 -9.638
177 2HD ARG 25 HD1 ARG 25 5.727 -6.836 -9.447
178 HE ARG 25 HE ARG 25 8.278 -6.305 -10.970
179 1HH1 ARG 25 HH1 ARG 25 7.222 -8.083 -8.471
180 2HH1 ARG 25 HH1 ARG 25 7.661 -9.651 -9.075
181 1HH2 ARG 25 HH2 ARG 25 8.324 -8.189 -12.239
182 2HH2 ARG 25 HH2 ARG 25 8.371 -9.742 -11.455
183 H GLY 26 HN GLY 26 2.010 -5.198 -14.197
184 1HA GLY 26 HA2 GLY 26 -0.337 -5.143 -14.510
185 2HA GLY 26 HA1 GLY 26 -0.525 -6.310 -13.191
186 H TYR 27 HN TYR 27 1.608 -3.888 -12.180
187 HA TYR 27 HA TYR 27 -0.555 -2.699 -10.515
188 1HB TYR 27 HB2 TYR 27 2.456 -2.252 -10.560
189 2HB TYR 27 HB1 TYR 27 1.364 -1.662 -9.346
190 HD1 TYR 27 HD1 TYR 27 -0.323 -4.550 -9.700
191 HD2 TYR 27 HD2 TYR 27 3.658 -3.372 -8.692
192 HE1 TYR 27 HE1 TYR 27 -0.045 -6.580 -8.442
193 HE2 TYR 27 HE2 TYR 27 3.924 -5.436 -7.411
194 HH TYR 27 HH TYR 27 2.539 -7.916 -7.635
195 H LYS 28 HN LYS 28 -1.082 -0.531 -10.516
196 HA LYS 28 HA LYS 28 -1.252 0.808 -12.982
197 1HB LYS 28 HB2 LYS 28 -2.005 2.742 -11.620
198 2HB LYS 28 HB1 LYS 28 -2.725 1.249 -11.052
199 1HG LYS 28 HG2 LYS 28 -0.374 1.444 -9.495
200 2HG LYS 28 HG1 LYS 28 -0.829 3.110 -9.713
201 1HD LYS 28 HD2 LYS 28 -2.656 0.917 -8.615
202 2HD LYS 28 HD1 LYS 28 -1.801 2.082 -7.637
203 1HE LYS 28 HE2 LYS 28 -3.071 3.953 -8.521
204 2HE LYS 28 HE1 LYS 28 -3.835 2.950 -9.743
205 1HZ LYS 28 HZ1 LYS 28 -5.414 2.413 -8.295
206 2HZ LYS 28 HZ2 LYS 28 -4.691 3.416 -7.116
207 3HZ LYS 28 HZ3 LYS 28 -4.254 1.782 -7.219
208 H GLY 29 HN GLY 29 1.294 1.002 -10.565
209 1HA GLY 29 HA2 GLY 29 3.419 1.593 -12.005
210 2HA GLY 29 HA1 GLY 29 2.639 3.192 -12.040
211 H GLY 30 HN GLY 30 5.121 2.981 -10.919
212 1HA GLY 30 HA2 GLY 30 4.601 3.585 -8.102
213 2HA GLY 30 HA1 GLY 30 5.746 2.295 -8.454
214 H HIS 31 HN HIS 31 7.242 3.672 -7.298
215 HA HIS 31 HA HIS 31 8.957 5.136 -9.129
216 1HB HIS 31 HB2 HIS 31 8.737 7.359 -7.708
217 2HB HIS 31 HB1 HIS 31 7.424 7.012 -8.823
218 HD1 HIS 31 HD1 HIS 31 5.101 6.018 -7.561
219 HD2 HIS 31 HD2 HIS 31 8.110 7.170 -4.889
220 HE1 HIS 31 HE1 HIS 31 4.089 6.114 -5.357
221 HE2 HIS 31 HE2 HIS 31 5.904 6.810 -3.802
222 H CYS 32 HN CYS 32 10.727 6.344 -7.783
223 HA CYS 32 HA CYS 32 11.665 4.459 -5.738
224 1HB CYS 32 HB2 CYS 32 13.321 5.606 -7.205
225 2HB CYS 32 HB1 CYS 32 12.750 7.159 -6.632
226 H GLY 33 HN GLY 33 11.976 5.139 -3.503
227 1HA GLY 33 HA2 GLY 33 9.779 6.378 -2.304
228 2HA GLY 33 HA1 GLY 33 11.306 6.172 -1.504
229 H SER 34 HN SER 34 12.706 8.042 -1.389
230 HA SER 34 HA SER 34 12.077 10.456 -2.874
231 1HB SER 34 HB2 SER 34 11.383 10.472 0.119
232 2HB SER 34 HB1 SER 34 11.458 11.902 -0.901
233 HG SER 34 HG SER 34 9.862 10.235 -2.160
234 H PHE 35 HN PHE 35 13.277 10.145 0.491
235 HA PHE 35 HA PHE 35 15.530 11.832 -0.227
236 1HB PHE 35 HB2 PHE 35 14.316 11.560 2.112
237 2HB PHE 35 HB1 PHE 35 15.437 10.223 2.325
238 HD1 PHE 35 HD1 PHE 35 15.360 13.825 1.326
239 HD2 PHE 35 HD2 PHE 35 17.614 10.703 3.161
240 HE1 PHE 35 HE1 PHE 35 17.096 15.441 1.945
241 HE2 PHE 35 HE2 PHE 35 19.346 12.328 3.779
242 HZ PHE 35 HZ PHE 35 19.091 14.698 3.175
243 H ALA 36 HN ALA 36 17.456 11.317 -0.699
244 HA ALA 36 HA ALA 36 19.191 10.059 -1.656
245 1HB ALA 36 HB1 ALA 36 18.722 8.634 0.971
246 2HB ALA 36 HB2 ALA 36 19.730 10.096 0.714
247 3HB ALA 36 HB3 ALA 36 20.198 8.532 -0.024
248 H ASN 37 HN ASN 37 16.369 8.901 -2.227
249 HA ASN 37 HA ASN 37 15.439 6.903 -3.113
250 1HB ASN 37 HB2 ASN 37 18.221 7.068 -4.308
251 2HB ASN 37 HB1 ASN 37 17.005 5.988 -4.927
252 1HD2 ASN 37 HD2 ASN 37 16.590 7.103 -6.964
253 2HD2 ASN 37 HD2 ASN 37 16.004 8.705 -7.015
254 H VAL 38 HN VAL 38 15.169 5.616 -1.274
255 HA VAL 38 HA VAL 38 17.341 3.614 -0.744
256 HB VAL 38 HB VAL 38 16.314 3.354 1.513
257 1HG1 VAL 38 HG1 VAL 38 18.086 5.000 1.130
258 2HG1 VAL 38 HG1 VAL 38 16.938 5.563 2.379
259 3HG1 VAL 38 HG1 VAL 38 16.862 6.239 0.726
260 1HG2 VAL 38 HG2 VAL 38 14.479 5.616 0.634
261 2HG2 VAL 38 HG2 VAL 38 14.623 4.946 2.282
262 3HG2 VAL 38 HG2 VAL 38 13.986 3.924 0.967
263 H ASN 39 HN ASN 39 13.854 3.871 -1.327
264 HA ASN 39 HA ASN 39 13.908 1.050 -2.176
265 1HB ASN 39 HB2 ASN 39 12.620 2.043 0.298
266 2HB ASN 39 HB1 ASN 39 11.472 1.219 -0.731
267 1HD2 ASN 39 HD2 ASN 39 11.441 -0.510 0.972
268 2HD2 ASN 39 HD2 ASN 39 12.722 -1.616 1.036
269 H CYS 40 HN CYS 40 11.994 0.386 -3.509
270 HA CYS 40 HA CYS 40 10.850 2.794 -4.843
271 1HB CYS 40 HB2 CYS 40 12.160 0.413 -5.879
272 2HB CYS 40 HB1 CYS 40 10.501 0.409 -6.423
273 H TRP 41 HN TRP 41 8.807 3.116 -4.511
274 HA TRP 41 HA TRP 41 7.114 0.853 -3.472
275 1HB TRP 41 HB2 TRP 41 6.555 3.796 -3.028
276 2HB TRP 41 HB1 TRP 41 5.756 2.452 -2.258
277 HD1 TRP 41 HD1 TRP 41 9.117 4.375 -2.235
278 HE1 TRP 41 HE1 TRP 41 10.208 3.760 -0.079
279 HE3 TRP 41 HE3 TRP 41 5.967 0.828 -0.641
280 HZ2 TRP 41 HZ2 TRP 41 9.858 1.939 2.195
281 HZ3 TRP 41 HZ3 TRP 41 6.309 -0.377 1.475
282 HH2 TRP 41 HH2 TRP 41 8.263 0.183 2.918
283 H CYS 42 HN CYS 42 5.063 0.571 -4.303
284 HA CYS 42 HA CYS 42 4.506 2.057 -6.827
285 1HB CYS 42 HB2 CYS 42 4.747 -0.588 -6.502
286 2HB CYS 42 HB1 CYS 42 3.067 -0.427 -6.144
287 H GLU 43 HN GLU 43 2.134 2.175 -7.330
288 HA GLU 43 HA GLU 43 0.802 3.333 -4.974
289 1HB GLU 43 HB2 GLU 43 0.352 3.400 -7.971
290 2HB GLU 43 HB1 GLU 43 -0.844 4.010 -6.866
291 1HG GLU 43 HG2 GLU 43 0.344 5.997 -7.255
292 2HG GLU 43 HG1 GLU 43 1.341 5.387 -5.955
293 H THR 44 HN THR 44 0.528 0.582 -6.993
294 HA THR 44 HA THR 44 -2.147 -0.240 -6.669
295 HB THR 44 HB THR 44 -0.800 -1.626 -8.151
296 HG1 THR 44 HG1 THR 44 -1.817 -2.619 -5.918
297 1HG2 THR 44 HG2 THR 44 0.990 -1.935 -5.718
298 2HG2 THR 44 HG2 THR 44 1.411 -1.072 -7.229
299 3HG2 THR 44 HG2 THR 44 1.197 -2.852 -7.227
Start of MODEL 17
1 1H ASP 1 HT1 ASP 1 3.292 3.567 -2.120
2 2H ASP 1 HT2 ASP 1 2.226 2.787 -3.227
3 3H ASP 1 HT3 ASP 1 3.719 2.093 -2.887
4 HA ASP 1 HA ASP 1 2.369 2.428 -0.469
5 1HB ASP 1 HB2 ASP 1 0.276 2.589 -1.799
6 2HB ASP 1 HB1 ASP 1 0.697 1.132 -2.697
7 H LYS 2 HN LYS 2 2.330 -0.074 -3.040
8 HA LYS 2 HA LYS 2 3.409 -1.999 -1.091
9 1HB LYS 2 HB2 LYS 2 1.683 -2.565 -2.851
10 2HB LYS 2 HB1 LYS 2 2.872 -2.270 -4.094
11 1HG LYS 2 HG2 LYS 2 2.747 -4.626 -3.777
12 2HG LYS 2 HG1 LYS 2 4.302 -4.132 -3.156
13 1HD LYS 2 HD2 LYS 2 3.250 -4.115 -0.801
14 2HD LYS 2 HD1 LYS 2 1.774 -4.723 -1.532
15 1HE LYS 2 HE2 LYS 2 3.112 -6.707 -2.415
16 2HE LYS 2 HE1 LYS 2 4.499 -6.116 -1.516
17 1HZ LYS 2 HZ1 LYS 2 2.266 -6.208 0.213
18 2HZ LYS 2 HZ2 LYS 2 3.702 -7.115 0.313
19 3HZ LYS 2 HZ3 LYS 2 2.393 -7.705 -0.579
20 H LEU 3 HN LEU 3 5.443 -3.193 -1.418
21 HA LEU 3 HA LEU 3 7.511 -1.526 -2.812
22 1HB LEU 3 HB2 LEU 3 7.724 -1.752 -0.306
23 2HB LEU 3 HB1 LEU 3 7.842 -3.487 -0.504
24 HG LEU 3 HG LEU 3 9.921 -3.231 -1.843
25 1HD1 LEU 3 HD1 LEU 3 9.552 -0.276 -1.262
26 2HD1 LEU 3 HD1 LEU 3 9.501 -1.062 -2.875
27 3HD1 LEU 3 HD1 LEU 3 11.011 -1.070 -1.939
28 1HD2 LEU 3 HD2 LEU 3 11.397 -2.423 -0.094
29 2HD2 LEU 3 HD2 LEU 3 10.122 -3.487 0.555
30 3HD2 LEU 3 HD2 LEU 3 10.000 -1.713 0.771
31 H ILE 4 HN ILE 4 8.152 -2.349 -4.660
32 HA ILE 4 HA ILE 4 8.081 -5.328 -5.029
33 HB ILE 4 HB ILE 4 8.057 -4.820 -7.420
34 1HG1 ILE 4 HG1 ILE 4 7.560 -2.185 -7.875
35 2HG1 ILE 4 HG1 ILE 4 8.690 -2.022 -6.564
36 1HG2 ILE 4 HG2 ILE 4 6.060 -3.168 -5.835
37 2HG2 ILE 4 HG2 ILE 4 5.930 -4.911 -6.215
38 3HG2 ILE 4 HG2 ILE 4 5.864 -3.686 -7.528
39 1HD1 ILE 4 HD1 ILE 4 10.271 -3.514 -7.750
40 2HD1 ILE 4 HD2 ILE 4 9.796 -2.069 -8.704
41 3HD1 ILE 4 HD3 ILE 4 9.086 -3.652 -9.090
42 H GLY 5 HN GLY 5 10.222 -2.625 -4.805
43 1HA GLY 5 HA2 GLY 5 12.542 -4.408 -4.749
44 2HA GLY 5 HA1 GLY 5 12.505 -3.392 -6.181
45 H SER 6 HN SER 6 14.614 -2.892 -4.739
46 HA SER 6 HA SER 6 13.955 -0.705 -2.805
47 1HB SER 6 HB2 SER 6 15.667 -2.538 -2.104
48 2HB SER 6 HB1 SER 6 16.752 -1.811 -3.279
49 HG SER 6 HG SER 6 15.411 -0.392 -1.160
50 H CYS 7 HN CYS 7 15.672 1.168 -2.883
51 HA CYS 7 HA CYS 7 16.225 1.836 -5.767
52 1HB CYS 7 HB2 CYS 7 14.149 2.908 -4.676
53 2HB CYS 7 HB1 CYS 7 15.311 3.824 -3.734
54 H VAL 8 HN VAL 8 17.926 0.733 -3.779
55 HA VAL 8 HA VAL 8 19.924 2.938 -3.419
56 HB VAL 8 HB VAL 8 19.672 0.423 -1.726
57 1HG1 VAL 8 HG1 VAL 8 21.156 3.032 -1.284
58 2HG1 VAL 8 HG1 VAL 8 21.885 1.449 -1.695
59 3HG1 VAL 8 HG1 VAL 8 21.067 1.669 -0.124
60 1HG2 VAL 8 HG2 VAL 8 18.637 3.178 -1.120
61 2HG2 VAL 8 HG2 VAL 8 18.679 1.798 0.025
62 3HG2 VAL 8 HG2 VAL 8 17.670 1.702 -1.440
63 H TRP 9 HN TRP 9 21.030 2.538 -5.327
64 HA TRP 9 HA TRP 9 21.797 0.141 -6.533
65 1HB TRP 9 HB2 TRP 9 22.394 2.409 -7.511
66 2HB TRP 9 HB1 TRP 9 23.656 2.550 -6.289
67 HD1 TRP 9 HD1 TRP 9 25.977 1.318 -6.809
68 HE1 TRP 9 HE1 TRP 9 26.616 -0.220 -8.699
69 HE3 TRP 9 HE3 TRP 9 21.534 0.637 -8.886
70 HZ2 TRP 9 HZ2 TRP 9 25.400 -1.645 -10.943
71 HZ3 TRP 9 HZ3 TRP 9 21.199 -0.781 -10.917
72 HH2 TRP 9 HH2 TRP 9 23.153 -1.924 -11.936
73 H GLY 10 HN GLY 10 22.483 -1.571 -5.358
74 1HA GLY 10 HA2 GLY 10 25.021 -2.129 -4.646
75 2HA GLY 10 HA1 GLY 10 24.461 -1.265 -3.203
76 H ALA 11 HN ALA 11 21.706 -2.274 -3.611
77 HA ALA 11 HA ALA 11 22.096 -4.907 -2.278
78 1HB ALA 11 HB1 ALA 11 20.543 -3.257 -1.306
79 2HB ALA 11 HB2 ALA 11 19.656 -4.720 -1.810
80 3HB ALA 11 HB3 ALA 11 19.609 -3.250 -2.835
81 H VAL 12 HN VAL 12 20.810 -6.803 -3.001
82 HA VAL 12 HA VAL 12 20.847 -7.001 -5.942
83 HB VAL 12 HB VAL 12 20.035 -9.131 -3.991
84 1HG1 VAL 12 HG1 VAL 12 21.327 -9.281 -6.713
85 2HG1 VAL 12 HG1 VAL 12 19.628 -9.681 -6.311
86 3HG1 VAL 12 HG1 VAL 12 20.952 -10.679 -5.660
87 1HG2 VAL 12 HG2 VAL 12 22.835 -8.428 -4.902
88 2HG2 VAL 12 HG2 VAL 12 22.395 -9.887 -3.960
89 3HG2 VAL 12 HG2 VAL 12 22.204 -8.269 -3.236
90 H ASN 13 HN ASN 13 18.968 -5.217 -5.266
91 HA ASN 13 HA ASN 13 16.523 -6.412 -6.364
92 1HB ASN 13 HB2 ASN 13 16.779 -5.935 -3.473
93 2HB ASN 13 HB1 ASN 13 15.360 -5.147 -4.129
94 1HD2 ASN 13 HD2 ASN 13 16.192 -7.964 -2.677
95 2HD2 ASN 13 HD2 ASN 13 15.035 -8.962 -3.434
96 H TYR 14 HN TYR 14 18.490 -4.013 -6.735
97 HA TYR 14 HA TYR 14 16.788 -1.703 -6.379
98 1HB TYR 14 HB2 TYR 14 19.266 -1.519 -6.471
99 2HB TYR 14 HB1 TYR 14 19.218 -2.110 -8.132
100 HD1 TYR 14 HD1 TYR 14 18.273 0.753 -5.984
101 HD2 TYR 14 HD2 TYR 14 18.688 -0.627 -9.983
102 HE1 TYR 14 HE1 TYR 14 17.959 3.038 -6.803
103 HE2 TYR 14 HE2 TYR 14 18.376 1.669 -10.789
104 HH TYR 14 HH TYR 14 18.821 4.194 -9.376
105 H THR 15 HN THR 15 15.459 -0.769 -7.927
106 HA THR 15 HA THR 15 14.877 -2.354 -10.374
107 HB THR 15 HB THR 15 12.768 -0.856 -10.252
108 HG1 THR 15 HG1 THR 15 14.033 0.464 -8.755
109 1HG2 THR 15 HG2 THR 15 13.421 -2.685 -7.910
110 2HG2 THR 15 HG2 THR 15 12.749 -3.254 -9.468
111 3HG2 THR 15 HG2 THR 15 11.796 -2.159 -8.402
112 H SER 16 HN SER 16 16.168 -1.528 -11.980
113 HA SER 16 HA SER 16 16.923 1.195 -12.288
114 1HB SER 16 HB2 SER 16 17.400 -1.208 -13.733
115 2HB SER 16 HB1 SER 16 16.504 -0.210 -14.884
116 HG SER 16 HG SER 16 18.184 1.059 -14.990
117 H ASP 17 HN ASP 17 14.059 -0.543 -13.361
118 HA ASP 17 HA ASP 17 12.865 2.098 -14.145
119 1HB ASP 17 HB2 ASP 17 13.356 0.207 -15.977
120 2HB ASP 17 HB1 ASP 17 11.876 -0.487 -15.321
121 H CYS 18 HN CYS 18 12.328 2.163 -11.904
122 HA CYS 18 HA CYS 18 10.853 0.384 -10.351
123 1HB CYS 18 HB2 CYS 18 11.722 2.505 -9.551
124 2HB CYS 18 HB1 CYS 18 10.490 3.311 -10.492
125 H ASN 19 HN ASN 19 9.267 2.975 -12.235
126 HA ASN 19 HA ASN 19 6.699 1.664 -11.930
127 1HB ASN 19 HB2 ASN 19 7.054 4.201 -12.389
128 2HB ASN 19 HB1 ASN 19 7.286 3.767 -14.077
129 1HD2 ASN 19 HD2 ASN 19 5.021 1.440 -13.289
130 2HD2 ASN 19 HD2 ASN 19 3.636 2.402 -13.483
131 H GLY 20 HN GLY 20 9.277 1.425 -14.324
132 1HA GLY 20 HA2 GLY 20 7.788 0.300 -16.479
133 2HA GLY 20 HA1 GLY 20 9.493 -0.036 -16.147
134 H GLU 21 HN GLU 21 9.573 -1.262 -13.865
135 HA GLU 21 HA GLU 21 8.646 -3.932 -14.354
136 1HB GLU 21 HB2 GLU 21 10.611 -3.095 -12.935
137 2HB GLU 21 HB1 GLU 21 9.473 -2.664 -11.703
138 1HG GLU 21 HG2 GLU 21 10.540 -4.879 -11.225
139 2HG GLU 21 HG1 GLU 21 8.790 -4.967 -11.381
140 H CYS 22 HN CYS 22 7.529 -1.413 -12.141
141 HA CYS 22 HA CYS 22 5.366 -2.705 -10.894
142 1HB CYS 22 HB2 CYS 22 6.365 -0.300 -10.747
143 2HB CYS 22 HB1 CYS 22 5.124 0.115 -11.883
144 H LYS 23 HN LYS 23 5.235 -0.879 -13.939
145 HA LYS 23 HA LYS 23 2.529 -1.455 -14.624
146 1HB LYS 23 HB2 LYS 23 4.287 0.200 -15.761
147 2HB LYS 23 HB1 LYS 23 4.819 -1.206 -16.641
148 1HG LYS 23 HG2 LYS 23 3.218 -0.622 -18.180
149 2HG LYS 23 HG1 LYS 23 2.121 -1.438 -17.096
150 1HD LYS 23 HD2 LYS 23 1.046 0.643 -17.341
151 2HD LYS 23 HD1 LYS 23 1.974 0.822 -15.844
152 1HE LYS 23 HE2 LYS 23 3.756 2.060 -16.955
153 2HE LYS 23 HE1 LYS 23 3.136 1.679 -18.549
154 1HZ LYS 23 HZ1 LYS 23 1.109 3.027 -17.110
155 2HZ LYS 23 HZ2 LYS 23 1.944 3.561 -18.491
156 3HZ LYS 23 HZ3 LYS 23 2.556 3.875 -16.927
157 H ARG 24 HN ARG 24 5.592 -3.124 -15.235
158 HA ARG 24 HA ARG 24 4.587 -5.222 -16.837
159 1HB ARG 24 HB2 ARG 24 7.058 -4.411 -15.795
160 2HB ARG 24 HB1 ARG 24 6.773 -5.861 -14.882
161 1HG ARG 24 HG2 ARG 24 6.341 -5.972 -17.846
162 2HG ARG 24 HG1 ARG 24 7.983 -5.757 -17.314
163 1HD ARG 24 HD2 ARG 24 6.139 -8.038 -16.432
164 2HD ARG 24 HD1 ARG 24 7.427 -8.192 -17.634
165 HE ARG 24 HE ARG 24 8.749 -7.162 -15.386
166 1HH1 ARG 24 HH2 ARG 24 8.430 -10.067 -16.556
167 2HH1 ARG 24 HH2 ARG 24 8.345 -10.984 -15.104
168 1HH2 ARG 24 HH1 ARG 24 7.891 -7.888 -13.335
169 2HH2 ARG 24 HH1 ARG 24 7.949 -9.605 -13.030
170 H ARG 25 HN ARG 25 4.353 -4.609 -13.433
171 HA ARG 25 HA ARG 25 3.354 -7.355 -12.880
172 1HB ARG 25 HB2 ARG 25 3.413 -5.034 -10.927
173 2HB ARG 25 HB1 ARG 25 3.401 -6.732 -10.528
174 1HG ARG 25 HG2 ARG 25 5.808 -6.632 -11.860
175 2HG ARG 25 HG1 ARG 25 5.581 -4.940 -11.462
176 1HD ARG 25 HD2 ARG 25 5.836 -5.113 -9.245
177 2HD ARG 25 HD1 ARG 25 5.258 -6.764 -9.096
178 HE ARG 25 HE ARG 25 7.994 -6.002 -10.140
179 1HH1 ARG 25 HH2 ARG 25 6.174 -8.577 -10.215
180 2HH1 ARG 25 HH2 ARG 25 7.095 -9.682 -9.252
181 1HH2 ARG 25 HH1 ARG 25 9.180 -7.003 -8.154
182 2HH2 ARG 25 HH1 ARG 25 8.955 -8.693 -8.013
183 H GLY 26 HN GLY 26 1.947 -5.024 -14.459
184 1HA GLY 26 HA2 GLY 26 -0.283 -4.438 -14.776
185 2HA GLY 26 HA1 GLY 26 -0.718 -5.817 -13.750
186 H TYR 27 HN TYR 27 1.501 -3.492 -12.368
187 HA TYR 27 HA TYR 27 -0.616 -2.761 -10.412
188 1HB TYR 27 HB2 TYR 27 2.334 -1.970 -10.576
189 2HB TYR 27 HB1 TYR 27 1.259 -1.547 -9.254
190 HD1 TYR 27 HD1 TYR 27 3.515 -2.916 -8.356
191 HD2 TYR 27 HD2 TYR 27 0.066 -4.705 -10.147
192 HE1 TYR 27 HE1 TYR 27 4.003 -5.078 -7.283
193 HE2 TYR 27 HE2 TYR 27 0.569 -6.779 -9.097
194 HH TYR 27 HH TYR 27 2.557 -7.918 -8.265
195 H LYS 28 HN LYS 28 -0.825 -0.458 -9.764
196 HA LYS 28 HA LYS 28 -1.742 1.085 -11.990
197 1HB LYS 28 HB2 LYS 28 -1.232 1.784 -9.066
198 2HB LYS 28 HB1 LYS 28 -2.179 2.789 -10.136
199 1HG LYS 28 HG2 LYS 28 -4.072 1.475 -9.864
200 2HG LYS 28 HG1 LYS 28 -3.185 0.005 -10.131
201 1HD LYS 28 HD2 LYS 28 -4.269 -0.128 -7.942
202 2HD LYS 28 HD1 LYS 28 -2.574 -0.100 -7.646
203 1HE LYS 28 HE2 LYS 28 -2.699 2.317 -7.066
204 2HE LYS 28 HE1 LYS 28 -4.429 2.233 -7.264
205 1HZ LYS 28 HZ1 LYS 28 -3.734 0.061 -5.620
206 2HZ LYS 28 HZ2 LYS 28 -4.548 1.475 -5.186
207 3HZ LYS 28 HZ3 LYS 28 -2.874 1.405 -5.042
208 H GLY 29 HN GLY 29 1.238 0.946 -10.247
209 1HA GLY 29 HA2 GLY 29 3.105 1.783 -11.821
210 2HA GLY 29 HA1 GLY 29 2.315 3.367 -11.638
211 H GLY 30 HN GLY 30 4.980 3.028 -10.808
212 1HA GLY 30 HA2 GLY 30 4.662 3.339 -7.884
213 2HA GLY 30 HA1 GLY 30 5.872 2.195 -8.490
214 H HIS 31 HN HIS 31 7.390 3.573 -7.338
215 HA HIS 31 HA HIS 31 8.800 5.407 -9.032
216 1HB HIS 31 HB2 HIS 31 8.517 7.467 -7.390
217 2HB HIS 31 HB1 HIS 31 7.181 7.139 -8.491
218 HD1 HIS 31 HD1 HIS 31 5.046 6.135 -7.443
219 HD2 HIS 31 HD2 HIS 31 8.045 6.737 -4.584
220 HE1 HIS 31 HE1 HIS 31 3.965 5.824 -5.225
221 HE2 HIS 31 HE2 HIS 31 5.792 6.199 -3.562
222 H CYS 32 HN CYS 32 10.478 6.657 -7.592
223 HA CYS 32 HA CYS 32 11.617 4.624 -5.761
224 1HB CYS 32 HB2 CYS 32 13.114 5.815 -7.362
225 2HB CYS 32 HB1 CYS 32 12.659 7.344 -6.657
226 H GLY 33 HN GLY 33 12.204 5.255 -3.583
227 1HA GLY 33 HA2 GLY 33 10.096 6.433 -2.128
228 2HA GLY 33 HA1 GLY 33 11.668 6.189 -1.468
229 H SER 34 HN SER 34 13.036 8.109 -1.323
230 HA SER 34 HA SER 34 12.210 10.563 -2.664
231 1HB SER 34 HB2 SER 34 12.012 10.596 0.396
232 2HB SER 34 HB1 SER 34 11.469 11.830 -0.732
233 HG SER 34 HG SER 34 10.030 10.069 -1.559
234 H PHE 35 HN PHE 35 13.778 10.163 0.533
235 HA PHE 35 HA PHE 35 15.945 11.879 -0.370
236 1HB PHE 35 HB2 PHE 35 15.200 11.834 2.035
237 2HB PHE 35 HB1 PHE 35 15.838 10.193 2.158
238 HD1 PHE 35 HD1 PHE 35 18.286 9.784 1.996
239 HD2 PHE 35 HD2 PHE 35 16.722 13.753 1.930
240 HE1 PHE 35 HE1 PHE 35 20.530 10.687 2.413
241 HE2 PHE 35 HE2 PHE 35 18.964 14.637 2.343
242 HZ PHE 35 HZ PHE 35 20.873 13.112 2.585
243 H ALA 36 HN ALA 36 17.779 11.373 -1.102
244 HA ALA 36 HA ALA 36 19.349 10.111 -2.340
245 1HB ALA 36 HB1 ALA 36 20.593 8.586 -0.890
246 2HB ALA 36 HB2 ALA 36 19.278 8.659 0.310
247 3HB ALA 36 HB3 ALA 36 20.230 10.134 -0.069
248 H ASN 37 HN ASN 37 16.505 9.019 -2.539
249 HA ASN 37 HA ASN 37 15.472 7.137 -3.515
250 1HB ASN 37 HB2 ASN 37 18.327 6.467 -4.413
251 2HB ASN 37 HB1 ASN 37 16.868 6.000 -5.234
252 1HD2 ASN 37 HD2 ASN 37 15.724 8.855 -4.765
253 2HD2 ASN 37 HD2 ASN 37 16.527 9.772 -5.942
254 H VAL 38 HN VAL 38 14.788 5.896 -1.770
255 HA VAL 38 HA VAL 38 16.759 3.918 -0.683
256 HB VAL 38 HB VAL 38 15.249 3.784 1.334
257 1HG1 VAL 38 HG1 VAL 38 17.268 5.149 1.257
258 2HG1 VAL 38 HG1 VAL 38 16.007 5.933 2.252
259 3HG1 VAL 38 HG1 VAL 38 16.332 6.518 0.593
260 1HG2 VAL 38 HG2 VAL 38 13.172 4.620 0.343
261 2HG2 VAL 38 HG2 VAL 38 13.942 6.226 0.100
262 3HG2 VAL 38 HG2 VAL 38 13.675 5.594 1.748
263 H ASN 39 HN ASN 39 13.353 4.069 -1.877
264 HA ASN 39 HA ASN 39 13.606 1.244 -2.533
265 1HB ASN 39 HB2 ASN 39 11.573 2.331 -0.593
266 2HB ASN 39 HB1 ASN 39 11.441 0.794 -1.380
267 1HD2 ASN 39 HD2 ASN 39 12.318 2.044 1.478
268 2HD2 ASN 39 HD2 ASN 39 13.534 0.942 1.941
269 H CYS 40 HN CYS 40 12.151 0.488 -4.101
270 HA CYS 40 HA CYS 40 10.851 2.623 -5.676
271 1HB CYS 40 HB2 CYS 40 12.098 1.119 -7.021
272 2HB CYS 40 HB1 CYS 40 11.490 -0.279 -6.179
273 H TRP 41 HN TRP 41 8.958 3.116 -4.642
274 HA TRP 41 HA TRP 41 7.230 0.961 -3.555
275 1HB TRP 41 HB2 TRP 41 6.659 3.924 -3.793
276 2HB TRP 41 HB1 TRP 41 5.709 2.766 -2.875
277 HD1 TRP 41 HD1 TRP 41 8.829 4.941 -2.603
278 HE1 TRP 41 HE1 TRP 41 9.768 4.444 -0.323
279 HE3 TRP 41 HE3 TRP 41 6.031 0.994 -1.363
280 HZ2 TRP 41 HZ2 TRP 41 9.417 2.548 1.881
281 HZ3 TRP 41 HZ3 TRP 41 6.284 -0.175 0.776
282 HH2 TRP 41 HH2 TRP 41 7.983 0.597 2.412
283 H CYS 42 HN CYS 42 5.128 0.536 -4.321
284 HA CYS 42 HA CYS 42 4.442 1.514 -7.024
285 1HB CYS 42 HB2 CYS 42 4.745 -1.233 -5.954
286 2HB CYS 42 HB1 CYS 42 3.396 -0.971 -7.007
287 H GLU 43 HN GLU 43 2.170 1.028 -7.551
288 HA GLU 43 HA GLU 43 0.443 1.381 -5.144
289 1HB GLU 43 HB2 GLU 43 0.884 3.006 -7.567
290 2HB GLU 43 HB1 GLU 43 -0.788 2.570 -7.409
291 1HG GLU 43 HG2 GLU 43 0.714 3.677 -5.058
292 2HG GLU 43 HG1 GLU 43 -0.061 4.709 -6.246
293 H THR 44 HN THR 44 -0.570 -0.517 -4.823
294 HA THR 44 HA THR 44 -1.713 -1.979 -7.165
295 HB THR 44 HB THR 44 -1.480 -3.977 -5.462
296 HG1 THR 44 HG1 THR 44 -1.225 -2.260 -3.906
297 1HG2 THR 44 HG2 THR 44 1.114 -2.531 -6.210
298 2HG2 THR 44 HG2 THR 44 0.196 -3.574 -7.335
299 3HG2 THR 44 HG2 THR 44 0.919 -4.275 -5.853
Start of MODEL 18
1 1H ASP 1 HT1 ASP 1 -0.105 2.052 -1.351
2 2H ASP 1 HT2 ASP 1 1.156 2.936 -0.669
3 3H ASP 1 HT3 ASP 1 0.930 1.296 -0.197
4 HA ASP 1 HA ASP 1 1.220 1.499 -2.982
5 1HB ASP 1 HB2 ASP 1 3.335 2.895 -1.261
6 2HB ASP 1 HB1 ASP 1 3.638 2.345 -2.903
7 H LYS 2 HN LYS 2 2.799 -0.063 -3.621
8 HA LYS 2 HA LYS 2 3.335 -2.144 -1.510
9 1HB LYS 2 HB2 LYS 2 1.683 -2.718 -3.383
10 2HB LYS 2 HB1 LYS 2 3.004 -2.554 -4.507
11 1HG LYS 2 HG2 LYS 2 3.038 -4.852 -4.196
12 2HG LYS 2 HG1 LYS 2 4.256 -4.363 -3.060
13 1HD LYS 2 HD2 LYS 2 2.895 -5.961 -1.911
14 2HD LYS 2 HD1 LYS 2 2.458 -4.401 -1.237
15 1HE LYS 2 HE2 LYS 2 0.392 -4.292 -2.532
16 2HE LYS 2 HE1 LYS 2 0.875 -5.639 -3.546
17 1HZ LYS 2 HZ1 LYS 2 0.901 -6.530 -0.879
18 2HZ LYS 2 HZ2 LYS 2 -0.142 -7.003 -2.121
19 3HZ LYS 2 HZ3 LYS 2 -0.561 -5.706 -1.128
20 H LEU 3 HN LEU 3 5.422 -2.916 -1.294
21 HA LEU 3 HA LEU 3 7.557 -1.480 -2.786
22 1HB LEU 3 HB2 LEU 3 7.710 -1.717 -0.317
23 2HB LEU 3 HB1 LEU 3 7.610 -3.454 -0.467
24 HG LEU 3 HG LEU 3 9.802 -3.410 -1.767
25 1HD1 LEU 3 HD1 LEU 3 9.785 -1.024 -2.399
26 2HD1 LEU 3 HD1 LEU 3 11.237 -1.460 -1.458
27 3HD1 LEU 3 HD1 LEU 3 9.887 -0.588 -0.667
28 1HD2 LEU 3 HD2 LEU 3 9.778 -2.353 1.069
29 2HD2 LEU 3 HD2 LEU 3 11.152 -3.162 0.256
30 3HD2 LEU 3 HD2 LEU 3 9.642 -4.062 0.562
31 H ILE 4 HN ILE 4 8.436 -2.274 -4.507
32 HA ILE 4 HA ILE 4 8.366 -5.268 -4.986
33 HB ILE 4 HB ILE 4 8.271 -4.776 -7.369
34 1HG1 ILE 4 HG1 ILE 4 7.488 -2.148 -7.753
35 2HG1 ILE 4 HG1 ILE 4 8.695 -1.953 -6.517
36 1HG2 ILE 4 HG2 ILE 4 5.991 -3.848 -7.484
37 2HG2 ILE 4 HG2 ILE 4 6.151 -3.285 -5.796
38 3HG2 ILE 4 HG2 ILE 4 6.163 -5.039 -6.161
39 1HD1 ILE 4 HD1 ILE 4 9.642 -1.885 -8.770
40 2HD1 ILE 4 HD2 ILE 4 9.002 -3.511 -9.103
41 3HD1 ILE 4 HD3 ILE 4 10.284 -3.291 -7.863
42 H GLY 5 HN GLY 5 10.434 -2.592 -4.563
43 1HA GLY 5 HA2 GLY 5 12.788 -4.261 -4.817
44 2HA GLY 5 HA1 GLY 5 12.686 -3.160 -6.173
45 H SER 6 HN SER 6 14.785 -2.663 -4.891
46 HA SER 6 HA SER 6 14.346 -0.782 -2.634
47 1HB SER 6 HB2 SER 6 16.214 -2.584 -2.490
48 2HB SER 6 HB1 SER 6 17.028 -1.720 -3.774
49 HG SER 6 HG SER 6 16.168 -0.248 -1.491
50 H CYS 7 HN CYS 7 16.481 0.886 -2.955
51 HA CYS 7 HA CYS 7 16.369 2.092 -5.671
52 1HB CYS 7 HB2 CYS 7 14.422 2.976 -4.322
53 2HB CYS 7 HB1 CYS 7 15.615 3.655 -3.238
54 H VAL 8 HN VAL 8 18.373 0.833 -4.015
55 HA VAL 8 HA VAL 8 20.279 3.126 -3.616
56 HB VAL 8 HB VAL 8 20.297 0.383 -2.297
57 1HG1 VAL 8 HG1 VAL 8 21.964 1.361 -0.769
58 2HG1 VAL 8 HG1 VAL 8 21.952 2.858 -1.748
59 3HG1 VAL 8 HG1 VAL 8 22.527 1.320 -2.462
60 1HG2 VAL 8 HG2 VAL 8 19.634 1.566 -0.243
61 2HG2 VAL 8 HG2 VAL 8 18.417 1.703 -1.531
62 3HG2 VAL 8 HG2 VAL 8 19.506 3.087 -1.187
63 H TRP 9 HN TRP 9 21.067 3.139 -5.670
64 HA TRP 9 HA TRP 9 21.821 1.093 -7.418
65 1HB TRP 9 HB2 TRP 9 22.021 3.567 -7.933
66 2HB TRP 9 HB1 TRP 9 23.492 3.604 -6.966
67 HD1 TRP 9 HD1 TRP 9 25.702 3.033 -8.255
68 HE1 TRP 9 HE1 TRP 9 26.112 1.965 -10.502
69 HE3 TRP 9 HE3 TRP 9 21.052 1.756 -9.452
70 HZ2 TRP 9 HZ2 TRP 9 24.645 0.668 -12.665
71 HZ3 TRP 9 HZ3 TRP 9 20.497 0.609 -11.578
72 HH2 TRP 9 HH2 TRP 9 22.304 0.063 -13.188
73 H GLY 10 HN GLY 10 22.662 -0.728 -6.532
74 1HA GLY 10 HA2 GLY 10 25.225 -1.443 -6.413
75 2HA GLY 10 HA1 GLY 10 25.110 -0.596 -4.865
76 H ALA 11 HN ALA 11 22.246 -1.473 -4.654
77 HA ALA 11 HA ALA 11 22.789 -4.046 -3.314
78 1HB ALA 11 HB1 ALA 11 20.414 -3.853 -2.581
79 2HB ALA 11 HB2 ALA 11 20.225 -2.461 -3.694
80 3HB ALA 11 HB3 ALA 11 21.315 -2.340 -2.283
81 H VAL 12 HN VAL 12 21.474 -5.994 -3.753
82 HA VAL 12 HA VAL 12 21.156 -6.384 -6.658
83 HB VAL 12 HB VAL 12 20.626 -8.398 -4.499
84 1HG1 VAL 12 HG1 VAL 12 21.384 -10.031 -6.175
85 2HG1 VAL 12 HG1 VAL 12 21.603 -8.689 -7.341
86 3HG1 VAL 12 HG1 VAL 12 19.972 -9.096 -6.726
87 1HG2 VAL 12 HG2 VAL 12 22.841 -7.473 -4.042
88 2HG2 VAL 12 HG2 VAL 12 23.298 -7.711 -5.756
89 3HG2 VAL 12 HG2 VAL 12 22.993 -9.124 -4.697
90 H ASN 13 HN ASN 13 19.318 -4.579 -5.811
91 HA ASN 13 HA ASN 13 16.816 -5.882 -6.601
92 1HB ASN 13 HB2 ASN 13 17.366 -5.741 -3.797
93 2HB ASN 13 HB1 ASN 13 16.210 -4.472 -4.107
94 1HD2 ASN 13 HD2 ASN 13 16.690 -7.818 -5.350
95 2HD2 ASN 13 HD2 ASN 13 15.056 -8.258 -5.101
96 H TYR 14 HN TYR 14 18.653 -3.409 -7.207
97 HA TYR 14 HA TYR 14 16.747 -1.226 -6.748
98 1HB TYR 14 HB2 TYR 14 19.249 -0.820 -6.873
99 2HB TYR 14 HB1 TYR 14 19.144 -1.211 -8.587
100 HD1 TYR 14 HD1 TYR 14 17.490 0.260 -10.039
101 HD2 TYR 14 HD2 TYR 14 18.909 1.490 -6.224
102 HE1 TYR 14 HE1 TYR 14 16.875 2.573 -10.535
103 HE2 TYR 14 HE2 TYR 14 18.289 3.795 -6.730
104 HH TYR 14 HH TYR 14 18.003 5.108 -9.184
105 H THR 15 HN THR 15 15.287 -0.427 -8.208
106 HA THR 15 HA THR 15 14.817 -2.004 -10.651
107 HB THR 15 HB THR 15 12.639 -0.496 -10.485
108 HG1 THR 15 HG1 THR 15 12.759 0.825 -8.799
109 1HG2 THR 15 HG2 THR 15 12.736 -2.944 -9.894
110 2HG2 THR 15 HG2 THR 15 11.714 -1.991 -8.770
111 3HG2 THR 15 HG2 THR 15 13.353 -2.485 -8.274
112 H SER 16 HN SER 16 16.140 -1.175 -12.231
113 HA SER 16 HA SER 16 16.926 1.505 -12.654
114 1HB SER 16 HB2 SER 16 17.727 -0.575 -13.987
115 2HB SER 16 HB1 SER 16 16.225 -0.446 -14.916
116 HG SER 16 HG SER 16 18.446 1.088 -15.106
117 H ASP 17 HN ASP 17 13.953 -0.143 -13.604
118 HA ASP 17 HA ASP 17 12.744 2.541 -14.157
119 1HB ASP 17 HB2 ASP 17 13.038 1.258 -16.346
120 2HB ASP 17 HB1 ASP 17 11.943 0.043 -15.670
121 H CYS 18 HN CYS 18 12.049 2.464 -12.061
122 HA CYS 18 HA CYS 18 10.661 0.509 -10.626
123 1HB CYS 18 HB2 CYS 18 11.368 2.924 -10.046
124 2HB CYS 18 HB1 CYS 18 9.779 3.300 -10.623
125 H ASN 19 HN ASN 19 9.020 3.070 -12.501
126 HA ASN 19 HA ASN 19 6.449 1.823 -12.320
127 1HB ASN 19 HB2 ASN 19 6.811 4.250 -12.975
128 2HB ASN 19 HB1 ASN 19 7.414 3.703 -14.530
129 1HD2 ASN 19 HD2 ASN 19 4.865 1.526 -13.864
130 2HD2 ASN 19 HD2 ASN 19 3.638 2.448 -14.583
131 H GLY 20 HN GLY 20 9.120 1.396 -14.568
132 1HA GLY 20 HA2 GLY 20 7.765 0.047 -16.673
133 2HA GLY 20 HA1 GLY 20 9.459 -0.229 -16.228
134 H GLU 21 HN GLU 21 9.527 -1.312 -13.965
135 HA GLU 21 HA GLU 21 8.654 -4.035 -14.233
136 1HB GLU 21 HB2 GLU 21 10.532 -3.129 -12.799
137 2HB GLU 21 HB1 GLU 21 9.376 -2.455 -11.694
138 1HG GLU 21 HG2 GLU 21 10.321 -4.638 -10.840
139 2HG GLU 21 HG1 GLU 21 8.577 -4.679 -11.034
140 H CYS 22 HN CYS 22 7.417 -1.403 -12.238
141 HA CYS 22 HA CYS 22 5.244 -2.600 -10.955
142 1HB CYS 22 HB2 CYS 22 6.259 -0.191 -10.972
143 2HB CYS 22 HB1 CYS 22 4.976 0.131 -12.089
144 H LYS 23 HN LYS 23 5.216 -1.035 -14.121
145 HA LYS 23 HA LYS 23 2.503 -1.537 -14.810
146 1HB LYS 23 HB2 LYS 23 4.539 -0.106 -15.894
147 2HB LYS 23 HB1 LYS 23 4.744 -1.536 -16.863
148 1HG LYS 23 HG2 LYS 23 2.766 -1.214 -18.025
149 2HG LYS 23 HG1 LYS 23 1.952 -0.427 -16.679
150 1HD LYS 23 HD2 LYS 23 3.307 1.594 -16.896
151 2HD LYS 23 HD1 LYS 23 4.307 0.883 -18.139
152 1HE LYS 23 HE2 LYS 23 1.314 1.455 -18.373
153 2HE LYS 23 HE1 LYS 23 2.604 2.444 -19.051
154 1HZ LYS 23 HZ1 LYS 23 2.694 1.126 -20.780
155 2HZ LYS 23 HZ2 LYS 23 1.416 0.183 -20.217
156 3HZ LYS 23 HZ3 LYS 23 3.024 -0.234 -19.819
157 H ARG 24 HN ARG 24 5.476 -3.370 -15.341
158 HA ARG 24 HA ARG 24 4.384 -5.574 -16.748
159 1HB ARG 24 HB2 ARG 24 6.830 -4.722 -15.651
160 2HB ARG 24 HB1 ARG 24 6.519 -6.168 -14.754
161 1HG ARG 24 HG2 ARG 24 6.360 -7.429 -16.855
162 2HG ARG 24 HG1 ARG 24 6.607 -5.920 -17.748
163 1HD ARG 24 HD2 ARG 24 8.725 -5.577 -16.202
164 2HD ARG 24 HD1 ARG 24 8.530 -7.256 -15.773
165 HE ARG 24 HE ARG 24 10.071 -6.725 -17.703
166 1HH1 ARG 24 HH2 ARG 24 8.770 -9.254 -18.158
167 2HH1 ARG 24 HH2 ARG 24 8.042 -9.156 -19.718
168 1HH2 ARG 24 HH1 ARG 24 8.315 -5.600 -19.647
169 2HH2 ARG 24 HH1 ARG 24 7.763 -6.907 -20.625
170 H ARG 25 HN ARG 25 4.193 -4.638 -13.399
171 HA ARG 25 HA ARG 25 3.066 -7.282 -12.633
172 1HB ARG 25 HB2 ARG 25 3.163 -4.951 -10.744
173 2HB ARG 25 HB1 ARG 25 3.424 -6.636 -10.370
174 1HG ARG 25 HG2 ARG 25 5.552 -6.029 -12.137
175 2HG ARG 25 HG1 ARG 25 5.261 -4.529 -11.311
176 1HD ARG 25 HD2 ARG 25 6.673 -5.253 -9.753
177 2HD ARG 25 HD1 ARG 25 5.361 -6.297 -9.184
178 HE ARG 25 HE ARG 25 7.431 -7.084 -11.246
179 1HH1 ARG 25 HH2 ARG 25 4.783 -8.445 -10.957
180 2HH1 ARG 25 HH2 ARG 25 5.118 -9.844 -9.993
181 1HH2 ARG 25 HH1 ARG 25 8.233 -8.343 -9.053
182 2HH2 ARG 25 HH1 ARG 25 7.290 -9.774 -8.805
183 H GLY 26 HN GLY 26 1.778 -5.049 -14.338
184 1HA GLY 26 HA2 GLY 26 -0.431 -4.357 -14.689
185 2HA GLY 26 HA1 GLY 26 -0.925 -5.650 -13.587
186 H TYR 27 HN TYR 27 1.375 -3.326 -12.389
187 HA TYR 27 HA TYR 27 -0.677 -2.386 -10.444
188 1HB TYR 27 HB2 TYR 27 2.327 -1.937 -10.705
189 2HB TYR 27 HB1 TYR 27 1.369 -1.239 -9.422
190 HD1 TYR 27 HD1 TYR 27 3.414 -2.692 -8.339
191 HD2 TYR 27 HD2 TYR 27 -0.128 -4.414 -9.970
192 HE1 TYR 27 HE1 TYR 27 3.732 -4.707 -6.989
193 HE2 TYR 27 HE2 TYR 27 0.198 -6.387 -8.645
194 HH TYR 27 HH TYR 27 1.351 -7.247 -6.795
195 H LYS 28 HN LYS 28 -0.670 -0.017 -9.952
196 HA LYS 28 HA LYS 28 -1.535 1.472 -12.273
197 1HB LYS 28 HB2 LYS 28 -0.932 2.406 -9.436
198 2HB LYS 28 HB1 LYS 28 -1.810 3.341 -10.610
199 1HG LYS 28 HG2 LYS 28 -3.760 2.138 -10.331
200 2HG LYS 28 HG1 LYS 28 -2.919 0.620 -10.083
201 1HD LYS 28 HD2 LYS 28 -2.411 1.197 -7.722
202 2HD LYS 28 HD1 LYS 28 -2.857 2.857 -7.972
203 1HE LYS 28 HE2 LYS 28 -4.589 1.490 -6.731
204 2HE LYS 28 HE1 LYS 28 -5.221 2.305 -8.157
205 1HZ LYS 28 HZ1 LYS 28 -4.202 -0.224 -8.876
206 2HZ LYS 28 HZ2 LYS 28 -5.832 0.289 -8.950
207 3HZ LYS 28 HZ3 LYS 28 -5.177 -0.417 -7.539
208 H GLY 29 HN GLY 29 1.298 1.625 -10.188
209 1HA GLY 29 HA2 GLY 29 3.150 2.387 -12.119
210 2HA GLY 29 HA1 GLY 29 2.507 3.904 -11.476
211 H GLY 30 HN GLY 30 5.188 3.468 -10.932
212 1HA GLY 30 HA2 GLY 30 5.209 3.285 -8.062
213 2HA GLY 30 HA1 GLY 30 6.046 1.924 -8.833
214 H HIS 31 HN HIS 31 7.306 3.784 -7.228
215 HA HIS 31 HA HIS 31 9.489 4.684 -8.900
216 1HB HIS 31 HB2 HIS 31 8.993 7.228 -8.117
217 2HB HIS 31 HB1 HIS 31 8.206 6.589 -9.563
218 HD1 HIS 31 HD1 HIS 31 5.627 5.918 -9.219
219 HD2 HIS 31 HD2 HIS 31 7.324 7.418 -5.754
220 HE1 HIS 31 HE1 HIS 31 3.754 6.264 -7.636
221 HE2 HIS 31 HE2 HIS 31 4.822 7.149 -5.570
222 H CYS 32 HN CYS 32 11.036 6.127 -7.535
223 HA CYS 32 HA CYS 32 11.359 4.847 -4.946
224 1HB CYS 32 HB2 CYS 32 13.188 5.779 -6.527
225 2HB CYS 32 HB1 CYS 32 12.758 7.354 -5.931
226 H GLY 33 HN GLY 33 11.657 6.326 -2.970
227 1HA GLY 33 HA2 GLY 33 10.399 8.866 -2.680
228 2HA GLY 33 HA1 GLY 33 9.121 7.681 -2.455
229 H SER 34 HN SER 34 12.529 8.169 -1.287
230 HA SER 34 HA SER 34 11.571 8.043 1.455
231 1HB SER 34 HB2 SER 34 13.457 5.989 0.176
232 2HB SER 34 HB1 SER 34 13.106 6.046 1.914
233 HG SER 34 HG SER 34 10.779 6.168 0.816
234 H PHE 35 HN PHE 35 14.348 7.602 2.303
235 HA PHE 35 HA PHE 35 15.328 10.363 1.790
236 1HB PHE 35 HB2 PHE 35 15.301 9.511 4.167
237 2HB PHE 35 HB1 PHE 35 16.479 8.284 3.685
238 HD1 PHE 35 HD1 PHE 35 18.792 8.895 3.186
239 HD2 PHE 35 HD2 PHE 35 15.946 11.897 4.214
240 HE1 PHE 35 HE1 PHE 35 20.603 10.518 3.474
241 HE2 PHE 35 HE2 PHE 35 17.761 13.514 4.494
242 HZ PHE 35 HZ PHE 35 20.096 12.834 4.126
243 H ALA 36 HN ALA 36 17.116 10.784 0.697
244 HA ALA 36 HA ALA 36 18.707 10.468 -1.042
245 1HB ALA 36 HB1 ALA 36 20.006 10.097 1.009
246 2HB ALA 36 HB2 ALA 36 20.577 9.046 -0.323
247 3HB ALA 36 HB3 ALA 36 19.541 8.364 0.958
248 H ASN 37 HN ASN 37 16.251 8.852 -1.333
249 HA ASN 37 HA ASN 37 15.436 7.139 -2.776
250 1HB ASN 37 HB2 ASN 37 18.201 7.038 -4.000
251 2HB ASN 37 HB1 ASN 37 16.662 6.875 -4.806
252 1HD2 ASN 37 HD2 ASN 37 19.053 9.117 -3.884
253 2HD2 ASN 37 HD2 ASN 37 18.271 10.529 -4.446
254 H VAL 38 HN VAL 38 15.149 5.477 -1.224
255 HA VAL 38 HA VAL 38 17.386 3.502 -1.102
256 HB VAL 38 HB VAL 38 16.796 4.952 0.975
257 1HG1 VAL 38 HG1 VAL 38 14.787 2.702 1.321
258 2HG1 VAL 38 HG1 VAL 38 14.371 4.409 1.008
259 3HG1 VAL 38 HG1 VAL 38 15.193 3.948 2.533
260 1HG2 VAL 38 HG2 VAL 38 17.195 1.981 1.188
261 2HG2 VAL 38 HG2 VAL 38 17.461 3.154 2.513
262 3HG2 VAL 38 HG2 VAL 38 18.444 3.256 1.027
263 H ASN 39 HN ASN 39 13.862 3.891 -1.316
264 HA ASN 39 HA ASN 39 13.758 1.062 -2.162
265 1HB ASN 39 HB2 ASN 39 12.037 2.368 -0.029
266 2HB ASN 39 HB1 ASN 39 11.559 0.912 -0.864
267 1HD2 ASN 39 HD2 ASN 39 12.551 1.489 2.084
268 2HD2 ASN 39 HD2 ASN 39 13.722 0.278 2.286
269 H CYS 40 HN CYS 40 11.951 0.512 -3.555
270 HA CYS 40 HA CYS 40 10.800 2.946 -4.851
271 1HB CYS 40 HB2 CYS 40 12.352 0.902 -5.988
272 2HB CYS 40 HB1 CYS 40 10.713 0.463 -6.406
273 H TRP 41 HN TRP 41 8.780 3.244 -4.404
274 HA TRP 41 HA TRP 41 7.116 0.949 -3.468
275 1HB TRP 41 HB2 TRP 41 6.447 3.920 -3.375
276 2HB TRP 41 HB1 TRP 41 5.660 2.636 -2.476
277 HD1 TRP 41 HD1 TRP 41 8.822 4.844 -2.427
278 HE1 TRP 41 HE1 TRP 41 10.020 4.292 -0.264
279 HE3 TRP 41 HE3 TRP 41 6.077 0.914 -0.940
280 HZ2 TRP 41 HZ2 TRP 41 9.873 2.396 1.908
281 HZ3 TRP 41 HZ3 TRP 41 6.598 -0.279 1.187
282 HH2 TRP 41 HH2 TRP 41 8.490 0.456 2.607
283 H CYS 42 HN CYS 42 5.195 0.427 -4.439
284 HA CYS 42 HA CYS 42 4.651 1.622 -7.109
285 1HB CYS 42 HB2 CYS 42 4.737 -1.159 -6.120
286 2HB CYS 42 HB1 CYS 42 3.391 -0.796 -7.148
287 H GLU 43 HN GLU 43 2.332 1.256 -7.768
288 HA GLU 43 HA GLU 43 0.560 1.908 -5.485
289 1HB GLU 43 HB2 GLU 43 0.749 2.757 -8.391
290 2HB GLU 43 HB1 GLU 43 -0.544 3.251 -7.321
291 1HG GLU 43 HG2 GLU 43 1.029 4.410 -5.878
292 2HG GLU 43 HG1 GLU 43 2.416 3.625 -6.571
293 H THR 44 HN THR 44 -0.835 0.245 -4.999
294 HA THR 44 HA THR 44 -1.924 -1.386 -7.230
295 HB THR 44 HB THR 44 -1.756 -3.374 -5.529
296 HG1 THR 44 HG1 THR 44 -1.515 -1.629 -3.978
297 1HG2 THR 44 HG2 THR 44 0.898 -1.983 -6.135
298 2HG2 THR 44 HG2 THR 44 0.015 -2.987 -7.317
299 3HG2 THR 44 HG2 THR 44 0.650 -3.726 -5.815