Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
2584 | 1c49 RC | 4760 | cing | recoord | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H THR 4 HT1 THR 4 7.316 -4.386 -5.309
2 2H THR 4 HT2 THR 4 8.425 -3.650 -6.365
3 3H THR 4 HT3 THR 4 7.411 -4.893 -6.925
4 HA THR 4 HA THR 4 6.253 -3.131 -7.724
5 HB THR 4 HB THR 4 5.203 -2.841 -4.931
6 HG1 THR 4 HG1 THR 4 4.469 -4.872 -4.910
7 1HG2 THR 4 HG21 THR 4 4.218 -1.862 -7.128
8 2HG2 THR 4 HG22 THR 4 3.121 -2.681 -6.015
9 3HG2 THR 4 HG23 THR 4 3.705 -3.516 -7.455
10 H ILE 5 HN ILE 5 5.174 -1.024 -5.763
11 HA ILE 5 HA ILE 5 6.892 1.089 -6.428
12 HB ILE 5 HB ILE 5 5.617 2.367 -4.844
13 1HG1 ILE 5 HG12 ILE 5 3.955 0.590 -3.506
14 2HG1 ILE 5 HG11 ILE 5 5.534 -0.196 -3.447
15 1HG2 ILE 5 HG21 ILE 5 3.454 1.986 -5.671
16 2HG2 ILE 5 HG22 ILE 5 3.684 0.237 -5.707
17 3HG2 ILE 5 HG23 ILE 5 4.486 1.257 -6.901
18 1HD1 ILE 5 HD11 ILE 5 4.607 2.052 -1.922
19 2HD1 ILE 5 HD12 ILE 5 5.961 2.566 -2.926
20 3HD1 ILE 5 HD13 ILE 5 6.154 1.214 -1.810
21 H SER 6 HN SER 6 7.456 2.441 -4.047
22 HA SER 6 HA SER 6 9.298 0.624 -2.566
23 1HB SER 6 HB2 SER 6 10.593 3.141 -2.849
24 2HB SER 6 HB1 SER 6 11.112 1.584 -3.484
25 HG SER 6 HG SER 6 9.860 3.699 -4.733
26 H CYS 7 HN CYS 7 8.014 0.775 -0.693
27 HA CYS 7 HA CYS 7 7.980 3.481 0.573
28 1HB CYS 7 HB2 CYS 7 5.770 2.922 1.558
29 2HB CYS 7 HB1 CYS 7 5.707 2.971 -0.204
30 H THR 8 HN THR 8 7.305 3.044 3.057
31 HA THR 8 HA THR 8 8.818 0.649 4.001
32 HB THR 8 HB THR 8 10.345 1.891 5.110
33 HG1 THR 8 HG1 THR 8 8.563 3.886 5.904
34 1HG2 THR 8 HG21 THR 8 10.465 4.358 4.494
35 2HG2 THR 8 HG22 THR 8 8.989 4.108 3.563
36 3HG2 THR 8 HG23 THR 8 10.461 3.234 3.136
37 H ASN 9 HN ASN 9 6.846 3.363 5.281
38 HA ASN 9 HA ASN 9 5.678 1.587 7.303
39 1HB ASN 9 HB2 ASN 9 6.122 4.306 7.173
40 2HB ASN 9 HB1 ASN 9 4.385 4.195 6.881
41 1HD2 ASN 9 HD21 ASN 9 6.889 3.816 9.301
42 2HD2 ASN 9 HD22 ASN 9 5.857 3.403 10.584
43 H GLU 10 HN GLU 10 3.306 1.310 7.474
44 HA GLU 10 HA GLU 10 2.159 0.454 4.969
45 1HB GLU 10 HB2 GLU 10 0.166 -0.063 6.314
46 2HB GLU 10 HB1 GLU 10 1.624 -0.625 7.134
47 1HG GLU 10 HG2 GLU 10 0.676 0.488 8.904
48 2HG GLU 10 HG1 GLU 10 1.490 1.864 8.158
49 H LYS 11 HN LYS 11 1.945 3.398 6.862
50 HA LYS 11 HA LYS 11 -0.446 4.456 5.688
51 1HB LYS 11 HB2 LYS 11 0.954 5.291 7.732
52 2HB LYS 11 HB1 LYS 11 1.866 6.193 6.522
53 1HG LYS 11 HG2 LYS 11 0.223 7.723 6.325
54 2HG LYS 11 HG1 LYS 11 -0.986 6.465 6.069
55 1HD LYS 11 HD2 LYS 11 -1.367 6.203 8.399
56 2HD LYS 11 HD1 LYS 11 0.102 7.085 8.817
57 1HE LYS 11 HE2 LYS 11 -1.145 8.954 8.968
58 2HE LYS 11 HE1 LYS 11 -1.405 8.853 7.227
59 1HZ LYS 11 HZ1 LYS 11 -3.215 8.299 9.372
60 2HZ LYS 11 HZ2 LYS 11 -3.126 7.016 8.262
61 3HZ LYS 11 HZ3 LYS 11 -3.539 8.575 7.730
62 H GLN 12 HN GLN 12 2.635 3.875 4.354
63 HA GLN 12 HA GLN 12 2.750 6.056 2.472
64 1HB GLN 12 HB2 GLN 12 4.160 3.474 2.879
65 2HB GLN 12 HB1 GLN 12 4.184 4.124 1.238
66 1HG GLN 12 HG2 GLN 12 4.739 6.033 3.458
67 2HG GLN 12 HG1 GLN 12 5.994 4.852 3.082
68 1HE2 GLN 12 HE21 GLN 12 5.028 7.936 2.297
69 2HE2 GLN 12 HE22 GLN 12 5.668 8.041 0.728
70 H CYS 13 HN CYS 13 1.188 2.891 2.430
71 HA CYS 13 HA CYS 13 0.477 3.236 -0.425
72 1HB CYS 13 HB2 CYS 13 -0.489 1.001 1.349
73 2HB CYS 13 HB1 CYS 13 -0.226 0.989 -0.395
74 H TYR 14 HN TYR 14 -0.637 4.783 2.070
75 HA TYR 14 HA TYR 14 -3.414 4.086 2.240
76 1HB TYR 14 HB2 TYR 14 -1.724 6.383 3.068
77 2HB TYR 14 HB1 TYR 14 -3.445 6.718 2.872
78 HD1 TYR 14 HD1 TYR 14 -2.015 3.433 3.822
79 HD2 TYR 14 HD2 TYR 14 -4.010 6.979 5.201
80 HE1 TYR 14 HE1 TYR 14 -2.454 2.338 6.004
81 HE2 TYR 14 HE2 TYR 14 -4.451 5.882 7.381
82 HH TYR 14 HH TYR 14 -4.340 3.982 8.538
83 HA PRO 15 HA PRO 15 -4.096 7.419 -1.124
84 1HB PRO 15 HB2 PRO 15 -1.872 8.528 -2.289
85 2HB PRO 15 HB1 PRO 15 -2.644 9.193 -0.839
86 1HG PRO 15 HG2 PRO 15 -0.096 7.662 -1.074
87 2HG PRO 15 HG1 PRO 15 -0.585 8.845 0.150
88 1HD PRO 15 HD2 PRO 15 -0.598 6.029 0.460
89 2HD PRO 15 HD1 PRO 15 -1.372 7.210 1.537
90 H HIS 16 HN HIS 16 -1.551 5.082 -1.395
91 HA HIS 16 HA HIS 16 -1.433 4.856 -4.258
92 1HB HIS 16 HB2 HIS 16 0.193 3.917 -2.482
93 2HB HIS 16 HB1 HIS 16 -0.955 2.589 -2.319
94 HD1 HIS 16 HD1 HIS 16 0.010 0.672 -3.592
95 HD2 HIS 16 HD2 HIS 16 0.403 4.256 -5.679
96 HE1 HIS 16 HE1 HIS 16 1.022 0.084 -5.838
97 H CYS 17 HN CYS 17 -2.998 2.711 -1.859
98 HA CYS 17 HA CYS 17 -4.548 1.352 -3.897
99 1HB CYS 17 HB2 CYS 17 -4.689 1.391 -0.874
100 2HB CYS 17 HB1 CYS 17 -5.766 0.411 -1.870
101 H LYS 18 HN LYS 18 -5.151 4.045 -1.686
102 HA LYS 18 HA LYS 18 -7.967 4.180 -1.914
103 1HB LYS 18 HB2 LYS 18 -6.578 5.582 -0.382
104 2HB LYS 18 HB1 LYS 18 -6.038 6.516 -1.778
105 1HG LYS 18 HG2 LYS 18 -8.342 7.179 -2.264
106 2HG LYS 18 HG1 LYS 18 -8.929 6.191 -0.925
107 1HD LYS 18 HD2 LYS 18 -7.252 7.603 0.507
108 2HD LYS 18 HD1 LYS 18 -7.349 8.746 -0.834
109 1HE LYS 18 HE2 LYS 18 -9.997 8.100 -0.416
110 2HE LYS 18 HE1 LYS 18 -9.345 8.103 1.223
111 1HZ LYS 18 HZ1 LYS 18 -10.048 10.300 0.685
112 2HZ LYS 18 HZ2 LYS 18 -9.173 10.293 -0.771
113 3HZ LYS 18 HZ3 LYS 18 -8.352 10.295 0.717
114 H LYS 19 HN LYS 19 -5.463 5.656 -3.990
115 HA LYS 19 HA LYS 19 -7.473 6.713 -5.834
116 1HB LYS 19 HB2 LYS 19 -5.300 7.856 -5.447
117 2HB LYS 19 HB1 LYS 19 -4.472 6.481 -6.178
118 1HG LYS 19 HG2 LYS 19 -5.890 6.850 -8.244
119 2HG LYS 19 HG1 LYS 19 -6.439 8.357 -7.512
120 1HD LYS 19 HD2 LYS 19 -4.260 9.295 -7.544
121 2HD LYS 19 HD1 LYS 19 -3.503 7.730 -7.837
122 1HE LYS 19 HE2 LYS 19 -5.425 8.997 -9.797
123 2HE LYS 19 HE1 LYS 19 -3.684 9.265 -9.867
124 1HZ LYS 19 HZ1 LYS 19 -3.954 7.461 -11.241
125 2HZ LYS 19 HZ2 LYS 19 -5.200 6.782 -10.306
126 3HZ LYS 19 HZ3 LYS 19 -3.589 6.699 -9.771
127 H GLU 20 HN GLU 20 -5.670 3.751 -5.537
128 HA GLU 20 HA GLU 20 -5.931 3.039 -8.358
129 1HB GLU 20 HB2 GLU 20 -4.645 1.942 -5.989
130 2HB GLU 20 HB1 GLU 20 -5.461 0.689 -6.927
131 1HG GLU 20 HG2 GLU 20 -4.292 1.391 -8.953
132 2HG GLU 20 HG1 GLU 20 -3.541 2.731 -8.086
133 H THR 21 HN THR 21 -7.230 1.391 -5.453
134 HA THR 21 HA THR 21 -9.482 0.420 -7.120
135 HB THR 21 HB THR 21 -9.882 -1.176 -5.390
136 HG1 THR 21 HG1 THR 21 -8.818 -0.955 -3.369
137 1HG2 THR 21 HG21 THR 21 -7.375 -1.857 -4.820
138 2HG2 THR 21 HG22 THR 21 -7.013 -0.628 -6.030
139 3HG2 THR 21 HG23 THR 21 -8.011 -2.018 -6.456
140 H GLY 22 HN GLY 22 -8.830 2.522 -4.373
141 1HA GLY 22 HA2 GLY 22 -10.456 4.439 -4.150
142 2HA GLY 22 HA1 GLY 22 -11.736 3.239 -4.339
143 H TYR 23 HN TYR 23 -9.435 1.664 -2.639
144 HA TYR 23 HA TYR 23 -10.753 2.337 -0.057
145 1HB TYR 23 HB2 TYR 23 -9.668 -0.122 -1.273
146 2HB TYR 23 HB1 TYR 23 -9.257 0.090 0.429
147 HD1 TYR 23 HD1 TYR 23 -12.267 0.777 -1.719
148 HD2 TYR 23 HD2 TYR 23 -10.715 -0.988 1.877
149 HE1 TYR 23 HE1 TYR 23 -14.555 0.063 -1.081
150 HE2 TYR 23 HE2 TYR 23 -13.002 -1.700 2.515
151 HH TYR 23 HH TYR 23 -15.482 -1.940 0.492
152 HA PRO 24 HA PRO 24 -6.886 4.170 1.139
153 1HB PRO 24 HB2 PRO 24 -7.610 4.685 3.741
154 2HB PRO 24 HB1 PRO 24 -8.144 5.668 2.366
155 1HG PRO 24 HG2 PRO 24 -9.692 3.689 3.968
156 2HG PRO 24 HG1 PRO 24 -10.271 5.088 3.048
157 1HD PRO 24 HD2 PRO 24 -10.389 2.377 2.218
158 2HD PRO 24 HD1 PRO 24 -10.685 3.802 1.197
159 H ASN 25 HN ASN 25 -8.337 1.356 2.556
160 HA ASN 25 HA ASN 25 -6.299 0.768 4.509
161 1HB ASN 25 HB2 ASN 25 -8.369 -0.926 3.099
162 2HB ASN 25 HB1 ASN 25 -7.240 -1.605 4.272
163 1HD2 ASN 25 HD21 ASN 25 -7.211 -0.378 6.471
164 2HD2 ASN 25 HD22 ASN 25 -8.701 0.192 7.049
165 H ALA 26 HN ALA 26 -4.207 0.633 3.810
166 HA ALA 26 HA ALA 26 -3.600 -1.408 1.737
167 1HB ALA 26 HB1 ALA 26 -2.479 1.411 1.728
168 2HB ALA 26 HB2 ALA 26 -3.633 0.764 0.560
169 3HB ALA 26 HB3 ALA 26 -1.996 0.111 0.638
170 H LYS 27 HN LYS 27 -1.337 -2.153 1.890
171 HA LYS 27 HA LYS 27 -0.090 -1.465 4.523
172 1HB LYS 27 HB2 LYS 27 -1.107 -3.984 3.644
173 2HB LYS 27 HB1 LYS 27 0.650 -4.110 3.736
174 1HG LYS 27 HG2 LYS 27 -0.545 -4.643 5.898
175 2HG LYS 27 HG1 LYS 27 0.657 -3.360 6.028
176 1HD LYS 27 HD2 LYS 27 -0.910 -1.750 6.424
177 2HD LYS 27 HD1 LYS 27 -2.073 -2.467 5.308
178 1HE LYS 27 HE2 LYS 27 -3.162 -3.042 7.232
179 2HE LYS 27 HE1 LYS 27 -2.015 -4.381 7.235
180 1HZ LYS 27 HZ1 LYS 27 -0.530 -3.066 8.606
181 2HZ LYS 27 HZ2 LYS 27 -2.042 -3.239 9.360
182 3HZ LYS 27 HZ3 LYS 27 -1.629 -1.775 8.604
183 H CYS 28 HN CYS 28 2.251 -1.712 4.584
184 HA CYS 28 HA CYS 28 3.528 -1.700 1.878
185 1HB CYS 28 HB2 CYS 28 3.463 0.597 2.697
186 2HB CYS 28 HB1 CYS 28 4.137 0.095 4.247
187 H MET 29 HN MET 29 4.459 -3.741 1.964
188 HA MET 29 HA MET 29 6.380 -4.195 4.209
189 1HB MET 29 HB2 MET 29 4.308 -5.623 4.392
190 2HB MET 29 HB1 MET 29 4.748 -6.355 2.848
191 1HG MET 29 HG2 MET 29 6.671 -7.366 3.728
192 2HG MET 29 HG1 MET 29 6.743 -6.256 5.098
193 1HE MET 29 HE1 MET 29 3.322 -7.434 3.986
194 2HE MET 29 HE2 MET 29 3.155 -9.067 4.625
195 3HE MET 29 HE3 MET 29 4.309 -8.748 3.333
196 H ASN 30 HN ASN 30 8.426 -4.660 3.505
197 HA ASN 30 HA ASN 30 10.182 -5.173 2.038
198 1HB ASN 30 HB2 ASN 30 7.911 -6.833 1.078
199 2HB ASN 30 HB1 ASN 30 9.237 -6.593 -0.059
200 1HD2 ASN 30 HD21 ASN 30 8.901 -7.289 3.478
201 2HD2 ASN 30 HD22 ASN 30 10.121 -8.469 3.504
202 H ARG 31 HN ARG 31 8.844 -2.687 1.746
203 HA ARG 31 HA ARG 31 8.758 -0.886 0.248
204 1HB ARG 31 HB2 ARG 31 10.309 -2.693 -1.621
205 2HB ARG 31 HB1 ARG 31 10.277 -0.929 -1.616
206 1HG ARG 31 HG2 ARG 31 11.250 -0.992 0.706
207 2HG ARG 31 HG1 ARG 31 11.443 -2.735 0.520
208 1HD ARG 31 HD2 ARG 31 12.603 -1.911 -1.777
209 2HD ARG 31 HD1 ARG 31 12.952 -0.516 -0.756
210 HE ARG 31 HE ARG 31 13.589 -3.071 0.514
211 1HH1 ARG 31 HH21 ARG 31 14.673 -1.144 -2.080
212 2HH1 ARG 31 HH22 ARG 31 16.331 -1.133 -1.578
213 1HH2 ARG 31 HH11 ARG 31 15.718 -2.806 1.396
214 2HH2 ARG 31 HH12 ARG 31 16.923 -2.076 0.388
215 H LYS 32 HN LYS 32 6.834 -3.332 0.036
216 HA LYS 32 HA LYS 32 5.822 -2.627 -2.691
217 1HB LYS 32 HB2 LYS 32 4.973 -4.832 -2.957
218 2HB LYS 32 HB1 LYS 32 6.599 -5.041 -2.311
219 1HG LYS 32 HG2 LYS 32 5.764 -6.165 -0.557
220 2HG LYS 32 HG1 LYS 32 4.804 -4.759 -0.102
221 1HD LYS 32 HD2 LYS 32 3.215 -6.490 -0.445
222 2HD LYS 32 HD1 LYS 32 3.144 -5.518 -1.916
223 1HE LYS 32 HE2 LYS 32 3.573 -7.399 -3.083
224 2HE LYS 32 HE1 LYS 32 5.190 -7.386 -2.378
225 1HZ LYS 32 HZ1 LYS 32 4.583 -9.332 -1.502
226 2HZ LYS 32 HZ2 LYS 32 2.926 -9.058 -1.762
227 3HZ LYS 32 HZ3 LYS 32 3.692 -8.414 -0.389
228 H CYS 33 HN CYS 33 3.514 -2.388 -2.891
229 HA CYS 33 HA CYS 33 2.181 -1.825 -0.273
230 1HB CYS 33 HB2 CYS 33 2.006 -0.506 -2.975
231 2HB CYS 33 HB1 CYS 33 0.676 -0.360 -1.827
232 H LYS 34 HN LYS 34 0.044 -2.574 0.021
233 HA LYS 34 HA LYS 34 -1.012 -4.361 -2.128
234 1HB LYS 34 HB2 LYS 34 -0.426 -4.961 0.721
235 2HB LYS 34 HB1 LYS 34 -1.957 -5.576 0.100
236 1HG LYS 34 HG2 LYS 34 0.542 -5.951 -1.519
237 2HG LYS 34 HG1 LYS 34 0.222 -7.027 -0.158
238 1HD LYS 34 HD2 LYS 34 -1.623 -7.979 -1.164
239 2HD LYS 34 HD1 LYS 34 -2.017 -6.516 -2.066
240 1HE LYS 34 HE2 LYS 34 -0.290 -6.923 -3.667
241 2HE LYS 34 HE1 LYS 34 0.435 -8.182 -2.668
242 1HZ LYS 34 HZ1 LYS 34 -1.469 -9.566 -3.007
243 2HZ LYS 34 HZ2 LYS 34 -0.913 -9.048 -4.527
244 3HZ LYS 34 HZ3 LYS 34 -2.291 -8.335 -3.835
245 H CYS 35 HN CYS 35 -3.348 -4.521 -2.159
246 HA CYS 35 HA CYS 35 -4.669 -2.244 -0.736
247 1HB CYS 35 HB2 CYS 35 -5.425 -3.552 -3.368
248 2HB CYS 35 HB1 CYS 35 -6.263 -2.195 -2.615
249 H PHE 36 HN PHE 36 -6.030 -2.900 0.837
250 HA PHE 36 HA PHE 36 -7.038 -5.679 0.838
251 1HB PHE 36 HB2 PHE 36 -6.997 -3.432 2.845
252 2HB PHE 36 HB1 PHE 36 -8.049 -4.826 3.085
253 HD1 PHE 36 HD1 PHE 36 -6.694 -5.299 5.167
254 HD2 PHE 36 HD2 PHE 36 -4.987 -5.417 1.227
255 HE1 PHE 36 HE1 PHE 36 -4.772 -6.598 6.038
256 HE2 PHE 36 HE2 PHE 36 -3.066 -6.718 2.099
257 HZ PHE 36 HZ PHE 36 -2.956 -7.307 4.504
258 H GLY 37 HN GLY 37 -8.006 -3.041 -0.735
259 1HA GLY 37 HA2 GLY 37 -10.908 -3.492 -0.155
260 2HA GLY 37 HA1 GLY 37 -10.257 -1.972 -0.770
261 H ARG 38 HN ARG 38 -9.282 -5.169 -1.915
262 HA ARG 38 HA ARG 38 -9.519 -4.501 -4.658
263 1HB ARG 38 HB2 ARG 38 -9.337 -6.896 -5.094
264 2HB ARG 38 HB1 ARG 38 -8.251 -6.461 -3.775
265 1HG ARG 38 HG2 ARG 38 -9.264 -8.259 -2.769
266 2HG ARG 38 HG1 ARG 38 -10.455 -7.032 -2.336
267 1HD ARG 38 HD2 ARG 38 -11.379 -9.179 -3.383
268 2HD ARG 38 HD1 ARG 38 -11.905 -7.664 -4.120
269 HE ARG 38 HE ARG 38 -9.546 -8.988 -5.323
270 1HH1 ARG 38 HH11 ARG 38 -12.587 -10.062 -5.439
271 2HH1 ARG 38 HH12 ARG 38 -12.936 -9.621 -7.078
272 1HH2 ARG 38 HH21 ARG 38 -10.123 -7.619 -7.415
273 2HH2 ARG 38 HH22 ARG 38 -11.540 -8.238 -8.196
Start of MODEL 2
1 1H THR 4 HT1 THR 4 6.880 -2.613 -8.004
2 2H THR 4 HT2 THR 4 6.739 -1.444 -9.229
3 3H THR 4 HT3 THR 4 5.886 -2.909 -9.348
4 HA THR 4 HA THR 4 4.367 -1.192 -8.696
5 HB THR 4 HB THR 4 4.886 -2.635 -6.125
6 HG1 THR 4 HG1 THR 4 4.427 -4.566 -7.025
7 1HG2 THR 4 HG21 THR 4 2.651 -1.511 -7.626
8 2HG2 THR 4 HG22 THR 4 2.753 -1.931 -5.916
9 3HG2 THR 4 HG23 THR 4 2.334 -3.166 -7.105
10 H ILE 5 HN ILE 5 3.959 -0.453 -5.962
11 HA ILE 5 HA ILE 5 5.662 1.892 -5.845
12 HB ILE 5 HB ILE 5 3.914 1.058 -3.584
13 1HG1 ILE 5 HG12 ILE 5 2.500 0.546 -5.483
14 2HG1 ILE 5 HG11 ILE 5 1.979 2.096 -4.829
15 1HG2 ILE 5 HG21 ILE 5 4.271 3.193 -3.008
16 2HG2 ILE 5 HG22 ILE 5 3.557 3.730 -4.530
17 3HG2 ILE 5 HG23 ILE 5 5.285 3.393 -4.437
18 1HD1 ILE 5 HD11 ILE 5 4.102 2.394 -6.817
19 2HD1 ILE 5 HD12 ILE 5 2.534 3.196 -6.718
20 3HD1 ILE 5 HD13 ILE 5 2.667 1.609 -7.476
21 H SER 6 HN SER 6 6.887 2.456 -3.857
22 HA SER 6 HA SER 6 7.968 0.053 -2.447
23 1HB SER 6 HB2 SER 6 10.212 1.104 -2.528
24 2HB SER 6 HB1 SER 6 9.597 0.788 -4.148
25 HG SER 6 HG SER 6 10.212 3.142 -2.941
26 H CYS 7 HN CYS 7 7.556 0.310 -0.289
27 HA CYS 7 HA CYS 7 7.910 3.013 0.884
28 1HB CYS 7 HB2 CYS 7 5.725 2.726 2.120
29 2HB CYS 7 HB1 CYS 7 5.554 2.992 0.386
30 H THR 8 HN THR 8 7.381 2.771 3.370
31 HA THR 8 HA THR 8 8.362 0.164 4.411
32 HB THR 8 HB THR 8 10.382 1.448 4.387
33 HG1 THR 8 HG1 THR 8 10.801 1.468 6.506
34 1HG2 THR 8 HG21 THR 8 8.540 3.650 4.636
35 2HG2 THR 8 HG22 THR 8 10.237 3.677 4.161
36 3HG2 THR 8 HG23 THR 8 9.797 3.784 5.865
37 H ASN 9 HN ASN 9 5.879 2.091 4.307
38 HA ASN 9 HA ASN 9 5.050 1.533 7.085
39 1HB ASN 9 HB2 ASN 9 6.026 3.813 7.167
40 2HB ASN 9 HB1 ASN 9 4.935 4.314 5.876
41 1HD2 ASN 9 HD21 ASN 9 3.655 5.791 7.114
42 2HD2 ASN 9 HD22 ASN 9 2.682 5.300 8.416
43 H GLU 10 HN GLU 10 2.733 1.475 7.275
44 HA GLU 10 HA GLU 10 1.349 0.644 4.911
45 1HB GLU 10 HB2 GLU 10 0.120 1.615 7.506
46 2HB GLU 10 HB1 GLU 10 -0.629 0.554 6.313
47 1HG GLU 10 HG2 GLU 10 0.585 -1.277 6.974
48 2HG GLU 10 HG1 GLU 10 2.001 -0.313 7.400
49 H LYS 11 HN LYS 11 1.383 3.728 6.683
50 HA LYS 11 HA LYS 11 -0.704 5.037 5.301
51 1HB LYS 11 HB2 LYS 11 0.409 6.000 7.274
52 2HB LYS 11 HB1 LYS 11 1.887 6.226 6.336
53 1HG LYS 11 HG2 LYS 11 0.576 7.663 4.743
54 2HG LYS 11 HG1 LYS 11 -0.796 7.546 5.847
55 1HD LYS 11 HD2 LYS 11 0.959 8.341 7.644
56 2HD LYS 11 HD1 LYS 11 1.830 8.946 6.233
57 1HE LYS 11 HE2 LYS 11 -1.078 9.566 6.814
58 2HE LYS 11 HE1 LYS 11 0.262 10.630 7.248
59 1HZ LYS 11 HZ1 LYS 11 -0.781 9.936 4.596
60 2HZ LYS 11 HZ2 LYS 11 0.872 10.294 4.749
61 3HZ LYS 11 HZ3 LYS 11 -0.294 11.443 5.202
62 H GLN 12 HN GLN 12 2.398 4.060 4.136
63 HA GLN 12 HA GLN 12 2.710 6.027 2.062
64 1HB GLN 12 HB2 GLN 12 3.728 3.181 2.296
65 2HB GLN 12 HB1 GLN 12 4.219 4.301 1.024
66 1HG GLN 12 HG2 GLN 12 4.664 4.585 4.004
67 2HG GLN 12 HG1 GLN 12 5.887 4.465 2.739
68 1HE2 GLN 12 HE21 GLN 12 5.426 6.706 4.705
69 2HE2 GLN 12 HE22 GLN 12 5.191 8.091 3.753
70 H CYS 13 HN CYS 13 1.218 2.780 2.078
71 HA CYS 13 HA CYS 13 0.315 3.167 -0.707
72 1HB CYS 13 HB2 CYS 13 -0.586 0.882 1.019
73 2HB CYS 13 HB1 CYS 13 -0.241 0.904 -0.711
74 H TYR 14 HN TYR 14 -0.705 4.687 1.824
75 HA TYR 14 HA TYR 14 -3.511 3.896 1.962
76 1HB TYR 14 HB2 TYR 14 -1.760 5.865 3.280
77 2HB TYR 14 HB1 TYR 14 -3.423 6.410 3.051
78 HD1 TYR 14 HD1 TYR 14 -4.577 6.139 5.075
79 HD2 TYR 14 HD2 TYR 14 -1.963 3.021 3.696
80 HE1 TYR 14 HE1 TYR 14 -5.303 4.696 6.956
81 HE2 TYR 14 HE2 TYR 14 -2.690 1.579 5.578
82 HH TYR 14 HH TYR 14 -5.252 2.614 7.804
83 HA PRO 15 HA PRO 15 -4.118 7.871 -0.601
84 1HB PRO 15 HB2 PRO 15 -1.866 9.115 -1.577
85 2HB PRO 15 HB1 PRO 15 -2.610 9.512 -0.017
86 1HG PRO 15 HG2 PRO 15 -0.112 7.979 -0.569
87 2HG PRO 15 HG1 PRO 15 -0.560 8.916 0.866
88 1HD PRO 15 HD2 PRO 15 -0.654 6.100 0.629
89 2HD PRO 15 HD1 PRO 15 -1.405 7.064 1.919
90 H HIS 16 HN HIS 16 -1.516 5.684 -1.475
91 HA HIS 16 HA HIS 16 -1.967 5.979 -4.351
92 1HB HIS 16 HB2 HIS 16 0.096 5.071 -4.411
93 2HB HIS 16 HB1 HIS 16 0.049 4.847 -2.668
94 HD1 HIS 16 HD1 HIS 16 0.095 2.995 -5.818
95 HD2 HIS 16 HD2 HIS 16 -1.146 2.227 -1.914
96 HE1 HIS 16 HE1 HIS 16 -0.150 0.482 -5.626
97 H CYS 17 HN CYS 17 -3.014 3.824 -1.763
98 HA CYS 17 HA CYS 17 -4.265 1.922 -3.597
99 1HB CYS 17 HB2 CYS 17 -4.254 2.300 -0.610
100 2HB CYS 17 HB1 CYS 17 -5.387 1.180 -1.366
101 H LYS 18 HN LYS 18 -5.198 4.864 -1.964
102 HA LYS 18 HA LYS 18 -8.032 4.526 -2.023
103 1HB LYS 18 HB2 LYS 18 -6.794 6.359 -0.828
104 2HB LYS 18 HB1 LYS 18 -6.482 7.105 -2.395
105 1HG LYS 18 HG2 LYS 18 -8.771 7.551 -2.771
106 2HG LYS 18 HG1 LYS 18 -9.286 6.411 -1.527
107 1HD LYS 18 HD2 LYS 18 -9.127 7.972 0.094
108 2HD LYS 18 HD1 LYS 18 -7.516 8.453 -0.440
109 1HE LYS 18 HE2 LYS 18 -9.718 9.283 -2.230
110 2HE LYS 18 HE1 LYS 18 -9.722 10.047 -0.641
111 1HZ LYS 18 HZ1 LYS 18 -7.138 10.198 -1.274
112 2HZ LYS 18 HZ2 LYS 18 -8.262 11.427 -1.611
113 3HZ LYS 18 HZ3 LYS 18 -7.827 10.314 -2.819
114 H LYS 19 HN LYS 19 -5.907 6.231 -4.352
115 HA LYS 19 HA LYS 19 -8.070 6.380 -6.318
116 1HB LYS 19 HB2 LYS 19 -5.647 7.735 -5.887
117 2HB LYS 19 HB1 LYS 19 -5.425 6.868 -7.407
118 1HG LYS 19 HG2 LYS 19 -6.407 8.943 -8.026
119 2HG LYS 19 HG1 LYS 19 -7.732 7.781 -8.076
120 1HD LYS 19 HD2 LYS 19 -7.806 8.592 -5.455
121 2HD LYS 19 HD1 LYS 19 -7.316 10.075 -6.275
122 1HE LYS 19 HE2 LYS 19 -9.616 8.406 -7.287
123 2HE LYS 19 HE1 LYS 19 -9.849 9.638 -6.047
124 1HZ LYS 19 HZ1 LYS 19 -8.559 10.151 -8.669
125 2HZ LYS 19 HZ2 LYS 19 -9.014 11.302 -7.505
126 3HZ LYS 19 HZ3 LYS 19 -10.201 10.434 -8.355
127 H GLU 20 HN GLU 20 -5.602 4.100 -5.520
128 HA GLU 20 HA GLU 20 -5.323 2.943 -8.162
129 1HB GLU 20 HB2 GLU 20 -3.592 2.619 -6.459
130 2HB GLU 20 HB1 GLU 20 -4.744 1.770 -5.427
131 1HG GLU 20 HG2 GLU 20 -3.646 0.000 -6.498
132 2HG GLU 20 HG1 GLU 20 -5.076 0.218 -7.508
133 H THR 21 HN THR 21 -7.388 2.228 -5.352
134 HA THR 21 HA THR 21 -9.023 0.525 -7.169
135 HB THR 21 HB THR 21 -7.473 -0.805 -5.584
136 HG1 THR 21 HG1 THR 21 -10.190 -1.372 -5.170
137 1HG2 THR 21 HG21 THR 21 -8.192 -1.041 -3.299
138 2HG2 THR 21 HG22 THR 21 -9.599 -0.017 -3.578
139 3HG2 THR 21 HG23 THR 21 -7.979 0.681 -3.608
140 H GLY 22 HN GLY 22 -8.917 2.219 -4.021
141 1HA GLY 22 HA2 GLY 22 -10.918 3.956 -4.100
142 2HA GLY 22 HA1 GLY 22 -11.874 2.473 -4.110
143 H TYR 23 HN TYR 23 -9.439 1.408 -2.380
144 HA TYR 23 HA TYR 23 -10.500 2.521 0.185
145 1HB TYR 23 HB2 TYR 23 -9.327 -0.246 -0.129
146 2HB TYR 23 HB1 TYR 23 -10.334 0.372 1.182
147 HD1 TYR 23 HD1 TYR 23 -10.433 -1.774 -1.489
148 HD2 TYR 23 HD2 TYR 23 -12.613 1.566 0.103
149 HE1 TYR 23 HE1 TYR 23 -12.465 -2.525 -2.698
150 HE2 TYR 23 HE2 TYR 23 -14.645 0.816 -1.105
151 HH TYR 23 HH TYR 23 -14.613 -2.148 -3.094
152 HA PRO 24 HA PRO 24 -6.269 3.642 0.849
153 1HB PRO 24 HB2 PRO 24 -6.579 4.476 3.447
154 2HB PRO 24 HB1 PRO 24 -7.087 5.433 2.045
155 1HG PRO 24 HG2 PRO 24 -8.762 3.911 3.983
156 2HG PRO 24 HG1 PRO 24 -9.192 5.309 2.984
157 1HD PRO 24 HD2 PRO 24 -9.868 2.602 2.456
158 2HD PRO 24 HD1 PRO 24 -10.043 3.969 1.334
159 H ASN 25 HN ASN 25 -7.938 1.781 3.410
160 HA ASN 25 HA ASN 25 -5.855 0.830 4.931
161 1HB ASN 25 HB2 ASN 25 -8.440 0.159 4.784
162 2HB ASN 25 HB1 ASN 25 -7.764 -1.248 3.962
163 1HD2 ASN 25 HD21 ASN 25 -5.837 -2.304 5.204
164 2HD2 ASN 25 HD22 ASN 25 -5.964 -2.366 6.895
165 H ALA 26 HN ALA 26 -3.876 0.257 4.147
166 HA ALA 26 HA ALA 26 -3.733 -2.078 2.341
167 1HB ALA 26 HB1 ALA 26 -2.558 0.636 1.689
168 2HB ALA 26 HB2 ALA 26 -3.673 -0.317 0.709
169 3HB ALA 26 HB3 ALA 26 -2.006 -0.855 0.925
170 H LYS 27 HN LYS 27 -1.743 -3.208 2.566
171 HA LYS 27 HA LYS 27 -0.168 -2.379 4.953
172 1HB LYS 27 HB2 LYS 27 -0.613 -5.002 3.539
173 2HB LYS 27 HB1 LYS 27 0.774 -4.789 4.607
174 1HG LYS 27 HG2 LYS 27 -0.521 -5.002 6.437
175 2HG LYS 27 HG1 LYS 27 -1.630 -3.760 5.854
176 1HD LYS 27 HD2 LYS 27 -2.021 -6.092 4.256
177 2HD LYS 27 HD1 LYS 27 -2.040 -6.590 5.948
178 1HE LYS 27 HE2 LYS 27 -3.518 -4.259 6.000
179 2HE LYS 27 HE1 LYS 27 -3.983 -4.971 4.454
180 1HZ LYS 27 HZ1 LYS 27 -4.821 -6.840 5.461
181 2HZ LYS 27 HZ2 LYS 27 -5.217 -5.653 6.610
182 3HZ LYS 27 HZ3 LYS 27 -3.872 -6.664 6.856
183 H CYS 28 HN CYS 28 2.137 -2.267 4.834
184 HA CYS 28 HA CYS 28 3.195 -2.060 2.042
185 1HB CYS 28 HB2 CYS 28 3.143 0.127 3.109
186 2HB CYS 28 HB1 CYS 28 3.964 -0.512 4.534
187 H MET 29 HN MET 29 4.696 -3.582 1.581
188 HA MET 29 HA MET 29 6.219 -4.789 3.858
189 1HB MET 29 HB2 MET 29 4.762 -5.967 1.634
190 2HB MET 29 HB1 MET 29 6.448 -6.486 1.634
191 1HG MET 29 HG2 MET 29 6.145 -7.775 3.462
192 2HG MET 29 HG1 MET 29 5.317 -6.475 4.322
193 1HE MET 29 HE1 MET 29 3.059 -6.350 4.836
194 2HE MET 29 HE2 MET 29 1.701 -6.924 3.872
195 3HE MET 29 HE3 MET 29 2.774 -5.687 3.221
196 H ASN 30 HN ASN 30 8.203 -6.061 2.347
197 HA ASN 30 HA ASN 30 10.128 -4.045 1.976
198 1HB ASN 30 HB2 ASN 30 11.214 -5.822 0.393
199 2HB ASN 30 HB1 ASN 30 11.006 -6.222 2.098
200 1HD2 ASN 30 HD21 ASN 30 9.783 -6.872 -1.162
201 2HD2 ASN 30 HD22 ASN 30 8.835 -8.212 -0.730
202 H ARG 31 HN ARG 31 9.210 -2.319 0.767
203 HA ARG 31 HA ARG 31 8.583 -1.155 -1.174
204 1HB ARG 31 HB2 ARG 31 10.219 -3.287 -2.575
205 2HB ARG 31 HB1 ARG 31 9.913 -1.639 -3.126
206 1HG ARG 31 HG2 ARG 31 11.287 -0.700 -1.441
207 2HG ARG 31 HG1 ARG 31 11.297 -2.193 -0.501
208 1HD ARG 31 HD2 ARG 31 12.290 -2.690 -3.171
209 2HD ARG 31 HD1 ARG 31 13.200 -1.381 -2.418
210 HE ARG 31 HE ARG 31 13.434 -4.139 -1.723
211 1HH1 ARG 31 HH21 ARG 31 14.813 -1.328 -0.938
212 2HH1 ARG 31 HH22 ARG 31 14.911 -1.578 0.774
213 1HH2 ARG 31 HH11 ARG 31 12.817 -4.343 0.756
214 2HH2 ARG 31 HH12 ARG 31 13.782 -3.287 1.733
215 H LYS 32 HN LYS 32 6.573 -2.831 -0.359
216 HA LYS 32 HA LYS 32 5.448 -3.704 -2.966
217 1HB LYS 32 HB2 LYS 32 6.071 -5.445 -0.642
218 2HB LYS 32 HB1 LYS 32 4.488 -5.683 -1.382
219 1HG LYS 32 HG2 LYS 32 5.601 -5.885 -3.607
220 2HG LYS 32 HG1 LYS 32 7.166 -5.767 -2.802
221 1HD LYS 32 HD2 LYS 32 6.613 -7.774 -1.457
222 2HD LYS 32 HD1 LYS 32 5.072 -7.904 -2.305
223 1HE LYS 32 HE2 LYS 32 6.509 -9.393 -3.463
224 2HE LYS 32 HE1 LYS 32 6.469 -7.946 -4.470
225 1HZ LYS 32 HZ1 LYS 32 8.500 -7.235 -3.141
226 2HZ LYS 32 HZ2 LYS 32 8.715 -8.471 -4.287
227 3HZ LYS 32 HZ3 LYS 32 8.600 -8.851 -2.636
228 H CYS 33 HN CYS 33 3.865 -2.098 -2.954
229 HA CYS 33 HA CYS 33 2.253 -1.646 -0.525
230 1HB CYS 33 HB2 CYS 33 2.526 -0.352 -3.202
231 2HB CYS 33 HB1 CYS 33 0.973 -0.190 -2.382
232 H LYS 34 HN LYS 34 0.426 -2.823 -0.123
233 HA LYS 34 HA LYS 34 -1.006 -3.996 -2.469
234 1HB LYS 34 HB2 LYS 34 -1.459 -5.720 -0.275
235 2HB LYS 34 HB1 LYS 34 -0.535 -6.072 -1.732
236 1HG LYS 34 HG2 LYS 34 1.454 -4.956 -0.590
237 2HG LYS 34 HG1 LYS 34 0.499 -4.974 0.892
238 1HD LYS 34 HD2 LYS 34 1.715 -6.980 1.036
239 2HD LYS 34 HD1 LYS 34 0.169 -7.507 0.369
240 1HE LYS 34 HE2 LYS 34 1.261 -7.136 -1.946
241 2HE LYS 34 HE1 LYS 34 2.791 -7.109 -1.070
242 1HZ LYS 34 HZ1 LYS 34 1.074 -9.326 -1.685
243 2HZ LYS 34 HZ2 LYS 34 1.528 -9.276 -0.049
244 3HZ LYS 34 HZ3 LYS 34 2.717 -9.314 -1.263
245 H CYS 35 HN CYS 35 -3.119 -3.436 -2.494
246 HA CYS 35 HA CYS 35 -4.267 -2.150 -0.074
247 1HB CYS 35 HB2 CYS 35 -5.732 -2.362 -2.685
248 2HB CYS 35 HB1 CYS 35 -5.760 -1.064 -1.493
249 H PHE 36 HN PHE 36 -6.242 -2.902 0.851
250 HA PHE 36 HA PHE 36 -7.503 -5.315 -0.252
251 1HB PHE 36 HB2 PHE 36 -5.674 -5.377 2.091
252 2HB PHE 36 HB1 PHE 36 -7.177 -6.289 2.238
253 HD1 PHE 36 HD1 PHE 36 -3.871 -6.649 1.352
254 HD2 PHE 36 HD2 PHE 36 -7.793 -7.490 -0.185
255 HE1 PHE 36 HE1 PHE 36 -2.927 -8.442 -0.079
256 HE2 PHE 36 HE2 PHE 36 -6.850 -9.282 -1.615
257 HZ PHE 36 HZ PHE 36 -4.417 -9.758 -1.563
258 H GLY 37 HN GLY 37 -8.603 -2.795 0.095
259 1HA GLY 37 HA2 GLY 37 -9.922 -2.433 2.619
260 2HA GLY 37 HA1 GLY 37 -10.431 -1.707 1.093
261 H ARG 38 HN ARG 38 -10.719 -4.255 -0.296
262 HA ARG 38 HA ARG 38 -12.431 -6.074 1.050
263 1HB ARG 38 HB2 ARG 38 -13.704 -3.646 0.773
264 2HB ARG 38 HB1 ARG 38 -14.246 -4.515 -0.663
265 1HG ARG 38 HG2 ARG 38 -15.002 -6.387 0.704
266 2HG ARG 38 HG1 ARG 38 -14.367 -5.618 2.159
267 1HD ARG 38 HD2 ARG 38 -16.526 -4.443 0.385
268 2HD ARG 38 HD1 ARG 38 -16.820 -5.277 1.911
269 HE ARG 38 HE ARG 38 -15.926 -3.388 3.077
270 1HH1 ARG 38 HH11 ARG 38 -17.225 -2.297 0.363
271 2HH1 ARG 38 HH12 ARG 38 -16.115 -1.004 0.053
272 1HH2 ARG 38 HH21 ARG 38 -13.782 -2.098 2.373
273 2HH2 ARG 38 HH22 ARG 38 -14.164 -0.893 1.189
Start of MODEL 3
1 1H THR 4 HT1 THR 4 8.139 -3.784 -7.587
2 2H THR 4 HT2 THR 4 7.032 -5.010 -7.985
3 3H THR 4 HT3 THR 4 7.265 -4.565 -6.362
4 HA THR 4 HA THR 4 5.905 -3.056 -8.508
5 HB THR 4 HB THR 4 4.977 -3.432 -5.675
6 HG1 THR 4 HG1 THR 4 3.862 -5.327 -6.881
7 1HG2 THR 4 HG21 THR 4 3.325 -3.586 -8.174
8 2HG2 THR 4 HG22 THR 4 3.894 -2.016 -7.607
9 3HG2 THR 4 HG23 THR 4 2.871 -3.011 -6.571
10 H ILE 5 HN ILE 5 4.845 -1.474 -6.071
11 HA ILE 5 HA ILE 5 6.637 0.746 -6.348
12 HB ILE 5 HB ILE 5 4.828 0.547 -3.999
13 1HG1 ILE 5 HG12 ILE 5 3.125 1.425 -5.950
14 2HG1 ILE 5 HG11 ILE 5 4.028 0.183 -6.820
15 1HG2 ILE 5 HG21 ILE 5 5.534 2.703 -4.070
16 2HG2 ILE 5 HG22 ILE 5 4.321 2.876 -5.338
17 3HG2 ILE 5 HG23 ILE 5 6.007 2.584 -5.765
18 1HD1 ILE 5 HD11 ILE 5 2.019 -0.123 -4.728
19 2HD1 ILE 5 HD12 ILE 5 3.510 -0.980 -4.342
20 3HD1 ILE 5 HD13 ILE 5 2.660 -1.323 -5.847
21 H SER 6 HN SER 6 7.470 1.811 -4.170
22 HA SER 6 HA SER 6 8.724 -0.317 -2.491
23 1HB SER 6 HB2 SER 6 10.248 2.151 -3.293
24 2HB SER 6 HB1 SER 6 10.871 0.614 -2.703
25 HG SER 6 HG SER 6 10.122 -0.315 -4.678
26 H CYS 7 HN CYS 7 7.657 0.079 -0.582
27 HA CYS 7 HA CYS 7 7.850 2.859 0.498
28 1HB CYS 7 HB2 CYS 7 5.654 2.593 1.524
29 2HB CYS 7 HB1 CYS 7 5.517 2.305 -0.210
30 H THR 8 HN THR 8 7.868 2.934 2.871
31 HA THR 8 HA THR 8 8.767 0.373 4.125
32 HB THR 8 HB THR 8 10.742 1.763 3.830
33 HG1 THR 8 HG1 THR 8 10.041 2.302 6.482
34 1HG2 THR 8 HG21 THR 8 9.231 3.892 3.692
35 2HG2 THR 8 HG22 THR 8 10.857 4.041 4.359
36 3HG2 THR 8 HG23 THR 8 9.465 3.960 5.438
37 H ASN 9 HN ASN 9 6.256 2.244 3.980
38 HA ASN 9 HA ASN 9 5.523 1.858 6.802
39 1HB ASN 9 HB2 ASN 9 6.605 4.239 6.341
40 2HB ASN 9 HB1 ASN 9 5.012 4.590 5.669
41 1HD2 ASN 9 HD21 ASN 9 6.434 5.411 8.318
42 2HD2 ASN 9 HD22 ASN 9 5.272 5.069 9.508
43 H GLU 10 HN GLU 10 3.340 1.373 6.926
44 HA GLU 10 HA GLU 10 1.876 0.809 4.550
45 1HB GLU 10 HB2 GLU 10 -0.113 0.698 6.149
46 2HB GLU 10 HB1 GLU 10 1.253 -0.344 6.548
47 1HG GLU 10 HG2 GLU 10 1.988 1.086 8.283
48 2HG GLU 10 HG1 GLU 10 1.018 2.437 7.695
49 H LYS 11 HN LYS 11 2.341 3.767 6.252
50 HA LYS 11 HA LYS 11 -0.098 5.087 5.459
51 1HB LYS 11 HB2 LYS 11 1.354 5.876 7.315
52 2HB LYS 11 HB1 LYS 11 2.593 6.305 6.133
53 1HG LYS 11 HG2 LYS 11 0.617 7.639 5.000
54 2HG LYS 11 HG1 LYS 11 -0.079 7.577 6.620
55 1HD LYS 11 HD2 LYS 11 1.160 9.526 6.791
56 2HD LYS 11 HD1 LYS 11 2.364 8.351 7.326
57 1HE LYS 11 HE2 LYS 11 3.576 8.490 5.365
58 2HE LYS 11 HE1 LYS 11 2.159 8.897 4.396
59 1HZ LYS 11 HZ1 LYS 11 3.898 10.632 5.968
60 2HZ LYS 11 HZ2 LYS 11 2.245 11.020 5.945
61 3HZ LYS 11 HZ3 LYS 11 3.120 10.929 4.492
62 H GLN 12 HN GLN 12 2.979 4.537 3.868
63 HA GLN 12 HA GLN 12 2.670 6.593 1.871
64 1HB GLN 12 HB2 GLN 12 4.420 4.202 2.236
65 2HB GLN 12 HB1 GLN 12 4.301 4.899 0.621
66 1HG GLN 12 HG2 GLN 12 5.309 6.876 1.246
67 2HG GLN 12 HG1 GLN 12 4.710 6.779 2.901
68 1HE2 GLN 12 HE21 GLN 12 6.427 6.489 4.322
69 2HE2 GLN 12 HE22 GLN 12 7.789 5.520 4.024
70 H CYS 13 HN CYS 13 1.267 3.424 2.225
71 HA CYS 13 HA CYS 13 0.516 3.403 -0.654
72 1HB CYS 13 HB2 CYS 13 -0.303 1.267 1.288
73 2HB CYS 13 HB1 CYS 13 0.035 1.134 -0.437
74 H TYR 14 HN TYR 14 -0.687 4.727 2.127
75 HA TYR 14 HA TYR 14 -3.426 3.981 2.131
76 1HB TYR 14 HB2 TYR 14 -1.836 6.233 3.164
77 2HB TYR 14 HB1 TYR 14 -3.513 6.645 2.804
78 HD1 TYR 14 HD1 TYR 14 -5.240 6.010 4.275
79 HD2 TYR 14 HD2 TYR 14 -1.402 4.113 4.563
80 HE1 TYR 14 HE1 TYR 14 -5.969 4.850 6.342
81 HE2 TYR 14 HE2 TYR 14 -2.126 2.954 6.632
82 HH TYR 14 HH TYR 14 -5.390 2.851 7.629
83 HA PRO 15 HA PRO 15 -4.178 7.453 -1.055
84 1HB PRO 15 HB2 PRO 15 -1.972 8.675 -2.147
85 2HB PRO 15 HB1 PRO 15 -2.783 9.253 -0.683
86 1HG PRO 15 HG2 PRO 15 -0.186 7.813 -0.943
87 2HG PRO 15 HG1 PRO 15 -0.732 8.924 0.325
88 1HD PRO 15 HD2 PRO 15 -0.658 6.100 0.506
89 2HD PRO 15 HD1 PRO 15 -1.489 7.199 1.628
90 H HIS 16 HN HIS 16 -1.793 5.027 -1.352
91 HA HIS 16 HA HIS 16 -1.647 4.993 -4.262
92 1HB HIS 16 HB2 HIS 16 0.086 4.047 -2.607
93 2HB HIS 16 HB1 HIS 16 -1.007 2.673 -2.434
94 HD1 HIS 16 HD1 HIS 16 -0.065 0.836 -3.849
95 HD2 HIS 16 HD2 HIS 16 0.116 4.521 -5.779
96 HE1 HIS 16 HE1 HIS 16 0.803 0.378 -6.185
97 H CYS 17 HN CYS 17 -3.080 2.715 -1.890
98 HA CYS 17 HA CYS 17 -4.618 1.343 -3.909
99 1HB CYS 17 HB2 CYS 17 -4.939 1.429 -0.895
100 2HB CYS 17 HB1 CYS 17 -5.783 0.310 -1.965
101 H LYS 18 HN LYS 18 -5.279 4.037 -1.713
102 HA LYS 18 HA LYS 18 -8.104 4.151 -2.111
103 1HB LYS 18 HB2 LYS 18 -6.607 5.474 -0.442
104 2HB LYS 18 HB1 LYS 18 -6.400 6.615 -1.771
105 1HG LYS 18 HG2 LYS 18 -8.519 7.405 -1.579
106 2HG LYS 18 HG1 LYS 18 -9.192 5.793 -1.338
107 1HD LYS 18 HD2 LYS 18 -8.500 5.804 0.999
108 2HD LYS 18 HD1 LYS 18 -7.693 7.359 0.782
109 1HE LYS 18 HE2 LYS 18 -9.636 8.348 1.352
110 2HE LYS 18 HE1 LYS 18 -10.300 7.762 -0.173
111 1HZ LYS 18 HZ1 LYS 18 -10.434 6.485 2.491
112 2HZ LYS 18 HZ2 LYS 18 -10.738 5.618 1.061
113 3HZ LYS 18 HZ3 LYS 18 -11.716 6.942 1.480
114 H LYS 19 HN LYS 19 -5.408 5.654 -3.889
115 HA LYS 19 HA LYS 19 -7.213 6.906 -5.821
116 1HB LYS 19 HB2 LYS 19 -4.243 6.701 -5.466
117 2HB LYS 19 HB1 LYS 19 -4.879 7.155 -7.048
118 1HG LYS 19 HG2 LYS 19 -6.045 8.543 -4.686
119 2HG LYS 19 HG1 LYS 19 -4.392 8.972 -5.127
120 1HD LYS 19 HD2 LYS 19 -6.071 8.789 -7.487
121 2HD LYS 19 HD1 LYS 19 -6.747 9.930 -6.323
122 1HE LYS 19 HE2 LYS 19 -5.020 11.399 -6.563
123 2HE LYS 19 HE1 LYS 19 -3.819 10.114 -6.698
124 1HZ LYS 19 HZ1 LYS 19 -3.984 11.225 -8.787
125 2HZ LYS 19 HZ2 LYS 19 -5.674 11.055 -8.816
126 3HZ LYS 19 HZ3 LYS 19 -4.677 9.687 -8.965
127 H GLU 20 HN GLU 20 -5.883 3.801 -5.390
128 HA GLU 20 HA GLU 20 -5.736 3.098 -8.223
129 1HB GLU 20 HB2 GLU 20 -5.340 1.711 -5.619
130 2HB GLU 20 HB1 GLU 20 -5.805 0.702 -6.989
131 1HG GLU 20 HG2 GLU 20 -3.624 2.729 -7.350
132 2HG GLU 20 HG1 GLU 20 -3.255 1.209 -6.535
133 H THR 21 HN THR 21 -7.784 1.776 -5.596
134 HA THR 21 HA THR 21 -10.008 1.627 -7.594
135 HB THR 21 HB THR 21 -9.485 -0.629 -7.268
136 HG1 THR 21 HG1 THR 21 -11.154 -1.399 -6.071
137 1HG2 THR 21 HG21 THR 21 -8.926 0.075 -4.375
138 2HG2 THR 21 HG22 THR 21 -7.725 -0.299 -5.611
139 3HG2 THR 21 HG23 THR 21 -8.832 -1.551 -5.048
140 H GLY 22 HN GLY 22 -8.945 2.901 -4.655
141 1HA GLY 22 HA2 GLY 22 -10.318 4.567 -3.510
142 2HA GLY 22 HA1 GLY 22 -11.748 3.636 -3.958
143 H TYR 23 HN TYR 23 -8.725 2.406 -2.549
144 HA TYR 23 HA TYR 23 -10.235 1.772 -0.059
145 1HB TYR 23 HB2 TYR 23 -8.902 -0.112 -1.944
146 2HB TYR 23 HB1 TYR 23 -8.696 -0.424 -0.220
147 HD1 TYR 23 HD1 TYR 23 -10.837 -0.878 -3.017
148 HD2 TYR 23 HD2 TYR 23 -10.878 -0.283 1.237
149 HE1 TYR 23 HE1 TYR 23 -13.126 -1.824 -2.907
150 HE2 TYR 23 HE2 TYR 23 -13.167 -1.230 1.347
151 HH TYR 23 HH TYR 23 -14.696 -2.672 -1.484
152 HA PRO 24 HA PRO 24 -6.383 3.623 1.337
153 1HB PRO 24 HB2 PRO 24 -7.278 4.066 3.898
154 2HB PRO 24 HB1 PRO 24 -7.636 5.142 2.536
155 1HG PRO 24 HG2 PRO 24 -9.424 3.174 3.894
156 2HG PRO 24 HG1 PRO 24 -9.843 4.671 3.044
157 1HD PRO 24 HD2 PRO 24 -10.107 2.066 1.997
158 2HD PRO 24 HD1 PRO 24 -10.146 3.572 1.054
159 H ASN 25 HN ASN 25 -8.227 1.069 2.966
160 HA ASN 25 HA ASN 25 -6.303 0.188 4.832
161 1HB ASN 25 HB2 ASN 25 -8.768 -0.732 3.909
162 2HB ASN 25 HB1 ASN 25 -7.650 -2.028 3.487
163 1HD2 ASN 25 HD21 ASN 25 -9.751 -1.763 5.738
164 2HD2 ASN 25 HD22 ASN 25 -8.888 -2.160 7.145
165 H ALA 26 HN ALA 26 -4.170 0.037 4.173
166 HA ALA 26 HA ALA 26 -3.603 -1.960 2.037
167 1HB ALA 26 HB1 ALA 26 -1.681 0.227 2.014
168 2HB ALA 26 HB2 ALA 26 -3.312 0.798 1.663
169 3HB ALA 26 HB3 ALA 26 -2.591 -0.472 0.675
170 H LYS 27 HN LYS 27 -1.230 -2.620 2.121
171 HA LYS 27 HA LYS 27 -0.143 -2.362 4.893
172 1HB LYS 27 HB2 LYS 27 0.074 -4.932 3.334
173 2HB LYS 27 HB1 LYS 27 0.232 -4.677 5.073
174 1HG LYS 27 HG2 LYS 27 -2.321 -4.460 3.452
175 2HG LYS 27 HG1 LYS 27 -1.919 -5.732 4.607
176 1HD LYS 27 HD2 LYS 27 -1.596 -3.144 5.846
177 2HD LYS 27 HD1 LYS 27 -3.213 -3.282 5.154
178 1HE LYS 27 HE2 LYS 27 -3.850 -4.842 6.671
179 2HE LYS 27 HE1 LYS 27 -2.323 -5.715 6.542
180 1HZ LYS 27 HZ1 LYS 27 -2.146 -4.901 8.643
181 2HZ LYS 27 HZ2 LYS 27 -3.065 -3.508 8.318
182 3HZ LYS 27 HZ3 LYS 27 -1.449 -3.605 7.799
183 H CYS 28 HN CYS 28 1.962 -1.729 4.878
184 HA CYS 28 HA CYS 28 3.431 -1.868 2.288
185 1HB CYS 28 HB2 CYS 28 3.221 0.375 3.266
186 2HB CYS 28 HB1 CYS 28 3.943 -0.198 4.769
187 H MET 29 HN MET 29 4.678 -3.681 2.182
188 HA MET 29 HA MET 29 6.486 -4.256 4.467
189 1HB MET 29 HB2 MET 29 5.911 -6.788 3.840
190 2HB MET 29 HB1 MET 29 4.964 -5.902 5.034
191 1HG MET 29 HG2 MET 29 3.144 -5.711 3.651
192 2HG MET 29 HG1 MET 29 4.132 -5.602 2.195
193 1HE MET 29 HE1 MET 29 3.564 -8.158 0.437
194 2HE MET 29 HE2 MET 29 2.823 -6.648 0.963
195 3HE MET 29 HE3 MET 29 1.969 -8.171 1.203
196 H ASN 30 HN ASN 30 8.469 -5.145 3.805
197 HA ASN 30 HA ASN 30 10.238 -5.337 2.253
198 1HB ASN 30 HB2 ASN 30 8.629 -7.499 2.113
199 2HB ASN 30 HB1 ASN 30 8.477 -6.921 0.452
200 1HD2 ASN 30 HD21 ASN 30 9.770 -9.323 0.691
201 2HD2 ASN 30 HD22 ASN 30 11.446 -9.141 0.488
202 H ARG 31 HN ARG 31 9.104 -2.916 1.829
203 HA ARG 31 HA ARG 31 8.651 -1.277 0.203
204 1HB ARG 31 HB2 ARG 31 10.321 -3.155 -1.498
205 2HB ARG 31 HB1 ARG 31 10.046 -1.440 -1.802
206 1HG ARG 31 HG2 ARG 31 12.093 -1.344 -0.713
207 2HG ARG 31 HG1 ARG 31 10.995 -1.185 0.659
208 1HD ARG 31 HD2 ARG 31 12.869 -2.907 0.920
209 2HD ARG 31 HD1 ARG 31 11.235 -3.486 1.245
210 HE ARG 31 HE ARG 31 11.535 -4.979 -0.542
211 1HH1 ARG 31 HH21 ARG 31 14.480 -3.687 -0.369
212 2HH1 ARG 31 HH22 ARG 31 14.795 -3.572 -2.069
213 1HH2 ARG 31 HH11 ARG 31 11.509 -4.183 -2.990
214 2HH2 ARG 31 HH12 ARG 31 13.114 -3.852 -3.552
215 H LYS 32 HN LYS 32 6.490 -2.937 0.460
216 HA LYS 32 HA LYS 32 5.556 -3.136 -2.360
217 1HB LYS 32 HB2 LYS 32 6.204 -5.378 -0.835
218 2HB LYS 32 HB1 LYS 32 4.451 -5.252 -0.680
219 1HG LYS 32 HG2 LYS 32 4.279 -5.065 -3.161
220 2HG LYS 32 HG1 LYS 32 6.022 -5.312 -3.271
221 1HD LYS 32 HD2 LYS 32 4.957 -7.363 -1.595
222 2HD LYS 32 HD1 LYS 32 3.973 -7.295 -3.057
223 1HE LYS 32 HE2 LYS 32 5.622 -8.202 -4.294
224 2HE LYS 32 HE1 LYS 32 6.789 -7.022 -3.699
225 1HZ LYS 32 HZ1 LYS 32 7.289 -8.341 -1.856
226 2HZ LYS 32 HZ2 LYS 32 7.218 -9.440 -3.149
227 3HZ LYS 32 HZ3 LYS 32 5.921 -9.324 -2.059
228 H CYS 33 HN CYS 33 3.586 -2.201 -2.601
229 HA CYS 33 HA CYS 33 2.060 -1.519 -0.128
230 1HB CYS 33 HB2 CYS 33 2.228 -0.279 -2.875
231 2HB CYS 33 HB1 CYS 33 0.875 0.074 -1.804
232 H LYS 34 HN LYS 34 0.665 -3.245 0.194
233 HA LYS 34 HA LYS 34 -0.730 -4.412 -2.149
234 1HB LYS 34 HB2 LYS 34 0.327 -5.652 -0.025
235 2HB LYS 34 HB1 LYS 34 -1.279 -5.342 0.634
236 1HG LYS 34 HG2 LYS 34 -2.312 -6.760 -0.845
237 2HG LYS 34 HG1 LYS 34 -1.162 -6.419 -2.139
238 1HD LYS 34 HD2 LYS 34 0.553 -7.669 -0.626
239 2HD LYS 34 HD1 LYS 34 -0.874 -8.313 0.186
240 1HE LYS 34 HE2 LYS 34 -1.224 -8.482 -2.673
241 2HE LYS 34 HE1 LYS 34 0.298 -9.245 -2.214
242 1HZ LYS 34 HZ1 LYS 34 -0.758 -10.760 -0.873
243 2HZ LYS 34 HZ2 LYS 34 -1.891 -10.595 -2.129
244 3HZ LYS 34 HZ3 LYS 34 -2.132 -9.791 -0.652
245 H CYS 35 HN CYS 35 -3.067 -4.560 -2.193
246 HA CYS 35 HA CYS 35 -4.394 -2.416 -0.581
247 1HB CYS 35 HB2 CYS 35 -5.185 -3.471 -3.314
248 2HB CYS 35 HB1 CYS 35 -5.950 -2.139 -2.446
249 H PHE 36 HN PHE 36 -5.892 -3.153 0.838
250 HA PHE 36 HA PHE 36 -6.782 -5.964 0.658
251 1HB PHE 36 HB2 PHE 36 -6.641 -3.889 2.762
252 2HB PHE 36 HB1 PHE 36 -8.042 -4.955 2.857
253 HD1 PHE 36 HD1 PHE 36 -4.319 -5.001 2.470
254 HD2 PHE 36 HD2 PHE 36 -7.829 -7.122 3.748
255 HE1 PHE 36 HE1 PHE 36 -2.892 -6.797 3.411
256 HE2 PHE 36 HE2 PHE 36 -6.401 -8.918 4.690
257 HZ PHE 36 HZ PHE 36 -3.933 -8.756 4.521
258 H GLY 37 HN GLY 37 -7.759 -3.680 -1.151
259 1HA GLY 37 HA2 GLY 37 -10.333 -2.811 -0.661
260 2HA GLY 37 HA1 GLY 37 -9.821 -3.345 -2.261
261 H ARG 38 HN ARG 38 -9.315 -6.103 -1.349
262 HA ARG 38 HA ARG 38 -11.895 -7.099 -0.371
263 1HB ARG 38 HB2 ARG 38 -11.543 -6.745 -3.153
264 2HB ARG 38 HB1 ARG 38 -11.369 -8.475 -2.858
265 1HG ARG 38 HG2 ARG 38 -13.562 -8.718 -2.352
266 2HG ARG 38 HG1 ARG 38 -13.572 -7.273 -1.341
267 1HD ARG 38 HD2 ARG 38 -14.450 -6.018 -2.999
268 2HD ARG 38 HD1 ARG 38 -13.262 -6.610 -4.162
269 HE ARG 38 HE ARG 38 -14.809 -8.686 -4.292
270 1HH1 ARG 38 HH11 ARG 38 -16.734 -7.308 -2.310
271 2HH1 ARG 38 HH12 ARG 38 -17.952 -6.740 -3.402
272 1HH2 ARG 38 HH21 ARG 38 -15.996 -7.172 -6.231
273 2HH2 ARG 38 HH22 ARG 38 -17.534 -6.660 -5.621
Start of MODEL 4
1 1H THR 4 HT1 THR 4 7.516 -3.262 -6.960
2 2H THR 4 HT2 THR 4 6.005 -4.034 -7.046
3 3H THR 4 HT3 THR 4 6.352 -2.978 -5.761
4 HA THR 4 HA THR 4 6.370 -2.045 -8.556
5 HB THR 4 HB THR 4 4.028 -2.234 -6.653
6 HG1 THR 4 HG1 THR 4 4.505 -3.171 -9.286
7 1HG2 THR 4 HG21 THR 4 2.789 -0.875 -8.222
8 2HG2 THR 4 HG22 THR 4 4.161 -0.824 -9.330
9 3HG2 THR 4 HG23 THR 4 4.251 0.007 -7.777
10 H ILE 5 HN ILE 5 4.749 -0.764 -5.756
11 HA ILE 5 HA ILE 5 6.273 1.725 -5.993
12 HB ILE 5 HB ILE 5 4.785 1.810 -3.597
13 1HG1 ILE 5 HG12 ILE 5 3.202 0.551 -5.858
14 2HG1 ILE 5 HG11 ILE 5 3.576 -0.215 -4.313
15 1HG2 ILE 5 HG21 ILE 5 3.757 2.815 -6.235
16 2HG2 ILE 5 HG22 ILE 5 5.228 3.492 -5.538
17 3HG2 ILE 5 HG23 ILE 5 3.706 3.596 -4.654
18 1HD1 ILE 5 HD11 ILE 5 2.451 1.877 -3.258
19 2HD1 ILE 5 HD12 ILE 5 1.411 0.643 -3.970
20 3HD1 ILE 5 HD13 ILE 5 1.761 2.125 -4.860
21 H SER 6 HN SER 6 7.797 2.499 -4.507
22 HA SER 6 HA SER 6 8.910 0.431 -2.680
23 1HB SER 6 HB2 SER 6 10.771 2.288 -2.523
24 2HB SER 6 HB1 SER 6 10.676 1.269 -3.957
25 HG SER 6 HG SER 6 9.636 2.904 -5.029
26 H CYS 7 HN CYS 7 7.444 0.641 -0.921
27 HA CYS 7 HA CYS 7 7.661 3.246 0.534
28 1HB CYS 7 HB2 CYS 7 5.351 2.937 1.313
29 2HB CYS 7 HB1 CYS 7 5.402 2.966 -0.449
30 H THR 8 HN THR 8 7.361 3.005 2.903
31 HA THR 8 HA THR 8 8.027 0.262 3.882
32 HB THR 8 HB THR 8 9.539 1.362 5.562
33 HG1 THR 8 HG1 THR 8 8.834 3.584 3.978
34 1HG2 THR 8 HG21 THR 8 10.436 2.105 2.787
35 2HG2 THR 8 HG22 THR 8 10.225 0.414 3.241
36 3HG2 THR 8 HG23 THR 8 11.383 1.423 4.109
37 H ASN 9 HN ASN 9 6.699 3.469 4.590
38 HA ASN 9 HA ASN 9 5.561 2.579 7.145
39 1HB ASN 9 HB2 ASN 9 5.987 5.094 5.784
40 2HB ASN 9 HB1 ASN 9 4.307 4.972 6.310
41 1HD2 ASN 9 HD21 ASN 9 7.679 4.829 7.495
42 2HD2 ASN 9 HD22 ASN 9 7.293 5.152 9.115
43 H GLU 10 HN GLU 10 3.262 2.379 7.517
44 HA GLU 10 HA GLU 10 1.854 1.045 5.393
45 1HB GLU 10 HB2 GLU 10 1.384 1.710 8.208
46 2HB GLU 10 HB1 GLU 10 -0.086 1.761 7.236
47 1HG GLU 10 HG2 GLU 10 0.407 -0.501 6.371
48 2HG GLU 10 HG1 GLU 10 1.869 -0.555 7.358
49 H LYS 11 HN LYS 11 1.566 4.308 6.802
50 HA LYS 11 HA LYS 11 -0.685 5.095 5.198
51 1HB LYS 11 HB2 LYS 11 0.279 6.233 7.311
52 2HB LYS 11 HB1 LYS 11 1.421 7.004 6.209
53 1HG LYS 11 HG2 LYS 11 -0.148 8.538 5.717
54 2HG LYS 11 HG1 LYS 11 -1.134 7.256 5.015
55 1HD LYS 11 HD2 LYS 11 -1.582 6.864 7.685
56 2HD LYS 11 HD1 LYS 11 -1.398 8.617 7.622
57 1HE LYS 11 HE2 LYS 11 -3.010 8.474 5.575
58 2HE LYS 11 HE1 LYS 11 -3.422 6.884 6.219
59 1HZ LYS 11 HZ1 LYS 11 -3.413 9.246 7.980
60 2HZ LYS 11 HZ2 LYS 11 -4.266 7.787 8.151
61 3HZ LYS 11 HZ3 LYS 11 -4.754 8.928 6.991
62 H GLN 12 HN GLN 12 2.555 4.508 4.342
63 HA GLN 12 HA GLN 12 2.844 6.520 2.285
64 1HB GLN 12 HB2 GLN 12 4.281 4.031 3.074
65 2HB GLN 12 HB1 GLN 12 4.516 4.608 1.424
66 1HG GLN 12 HG2 GLN 12 4.701 6.927 2.936
67 2HG GLN 12 HG1 GLN 12 5.512 5.724 3.940
68 1HE2 GLN 12 HE21 GLN 12 5.357 6.143 0.354
69 2HE2 GLN 12 HE22 GLN 12 7.041 6.159 0.140
70 H CYS 13 HN CYS 13 0.767 3.911 2.503
71 HA CYS 13 HA CYS 13 0.471 3.867 -0.470
72 1HB CYS 13 HB2 CYS 13 1.424 1.724 0.933
73 2HB CYS 13 HB1 CYS 13 -0.309 1.400 0.959
74 H TYR 14 HN TYR 14 -0.896 4.938 2.210
75 HA TYR 14 HA TYR 14 -3.553 3.834 2.140
76 1HB TYR 14 HB2 TYR 14 -2.217 6.159 3.432
77 2HB TYR 14 HB1 TYR 14 -3.974 6.220 3.283
78 HD1 TYR 14 HD1 TYR 14 -4.936 5.639 5.330
79 HD2 TYR 14 HD2 TYR 14 -1.589 3.386 3.860
80 HE1 TYR 14 HE1 TYR 14 -5.161 4.064 7.233
81 HE2 TYR 14 HE2 TYR 14 -1.811 1.811 5.763
82 HH TYR 14 HH TYR 14 -4.515 1.600 7.662
83 HA PRO 15 HA PRO 15 -4.602 7.719 -0.460
84 1HB PRO 15 HB2 PRO 15 -2.502 9.085 -1.581
85 2HB PRO 15 HB1 PRO 15 -3.184 9.472 0.008
86 1HG PRO 15 HG2 PRO 15 -0.630 8.077 -0.652
87 2HG PRO 15 HG1 PRO 15 -1.041 9.050 0.769
88 1HD PRO 15 HD2 PRO 15 -0.965 6.239 0.664
89 2HD PRO 15 HD1 PRO 15 -1.723 7.204 1.950
90 H HIS 16 HN HIS 16 -1.478 6.564 -1.796
91 HA HIS 16 HA HIS 16 -2.236 6.470 -4.495
92 1HB HIS 16 HB2 HIS 16 0.017 6.047 -4.279
93 2HB HIS 16 HB1 HIS 16 -0.195 5.104 -2.809
94 HD1 HIS 16 HD1 HIS 16 0.475 4.732 -6.356
95 HD2 HIS 16 HD2 HIS 16 -1.348 2.414 -3.415
96 HE1 HIS 16 HE1 HIS 16 0.411 2.365 -7.255
97 H CYS 17 HN CYS 17 -2.687 3.997 -1.966
98 HA CYS 17 HA CYS 17 -3.876 2.042 -3.717
99 1HB CYS 17 HB2 CYS 17 -3.967 2.485 -0.733
100 2HB CYS 17 HB1 CYS 17 -4.893 1.197 -1.498
101 H LYS 18 HN LYS 18 -5.239 4.623 -1.687
102 HA LYS 18 HA LYS 18 -7.980 4.024 -2.026
103 1HB LYS 18 HB2 LYS 18 -7.170 5.752 -0.472
104 2HB LYS 18 HB1 LYS 18 -6.658 6.748 -1.835
105 1HG LYS 18 HG2 LYS 18 -8.724 7.674 -1.699
106 2HG LYS 18 HG1 LYS 18 -9.281 6.190 -2.472
107 1HD LYS 18 HD2 LYS 18 -9.797 5.183 -0.349
108 2HD LYS 18 HD1 LYS 18 -9.006 6.494 0.528
109 1HE LYS 18 HE2 LYS 18 -10.768 7.930 0.246
110 2HE LYS 18 HE1 LYS 18 -11.169 7.289 -1.348
111 1HZ LYS 18 HZ1 LYS 18 -12.695 6.808 0.686
112 2HZ LYS 18 HZ2 LYS 18 -11.558 5.589 1.013
113 3HZ LYS 18 HZ3 LYS 18 -12.400 5.597 -0.463
114 H LYS 19 HN LYS 19 -5.788 5.884 -4.125
115 HA LYS 19 HA LYS 19 -7.923 6.487 -6.029
116 1HB LYS 19 HB2 LYS 19 -4.925 6.711 -6.424
117 2HB LYS 19 HB1 LYS 19 -6.182 7.529 -7.352
118 1HG LYS 19 HG2 LYS 19 -6.754 8.950 -5.564
119 2HG LYS 19 HG1 LYS 19 -5.990 7.901 -4.369
120 1HD LYS 19 HD2 LYS 19 -4.659 9.970 -4.865
121 2HD LYS 19 HD1 LYS 19 -3.779 8.477 -5.192
122 1HE LYS 19 HE2 LYS 19 -3.973 8.713 -7.511
123 2HE LYS 19 HE1 LYS 19 -5.370 9.782 -7.385
124 1HZ LYS 19 HZ1 LYS 19 -2.576 10.452 -6.629
125 2HZ LYS 19 HZ2 LYS 19 -3.915 11.478 -6.427
126 3HZ LYS 19 HZ3 LYS 19 -3.412 11.030 -7.987
127 H GLU 20 HN GLU 20 -5.813 3.839 -5.446
128 HA GLU 20 HA GLU 20 -5.781 2.885 -8.210
129 1HB GLU 20 HB2 GLU 20 -4.481 2.203 -5.738
130 2HB GLU 20 HB1 GLU 20 -5.219 0.753 -6.422
131 1HG GLU 20 HG2 GLU 20 -4.161 1.779 -8.671
132 2HG GLU 20 HG1 GLU 20 -3.025 2.454 -7.502
133 H THR 21 HN THR 21 -7.122 1.364 -5.244
134 HA THR 21 HA THR 21 -9.222 0.152 -6.981
135 HB THR 21 HB THR 21 -7.860 -1.409 -5.623
136 HG1 THR 21 HG1 THR 21 -9.825 -2.220 -5.897
137 1HG2 THR 21 HG21 THR 21 -8.375 -1.325 -3.094
138 2HG2 THR 21 HG22 THR 21 -8.891 0.336 -3.390
139 3HG2 THR 21 HG23 THR 21 -7.228 -0.144 -3.728
140 H GLY 22 HN GLY 22 -8.745 2.270 -4.218
141 1HA GLY 22 HA2 GLY 22 -10.536 3.995 -3.908
142 2HA GLY 22 HA1 GLY 22 -11.706 2.702 -4.172
143 H TYR 23 HN TYR 23 -8.820 2.117 -2.295
144 HA TYR 23 HA TYR 23 -10.330 2.430 0.237
145 1HB TYR 23 HB2 TYR 23 -8.954 -0.150 -0.564
146 2HB TYR 23 HB1 TYR 23 -9.778 0.160 0.965
147 HD1 TYR 23 HD1 TYR 23 -10.156 -0.932 -2.434
148 HD2 TYR 23 HD2 TYR 23 -12.269 0.806 0.876
149 HE1 TYR 23 HE1 TYR 23 -12.312 -1.606 -3.458
150 HE2 TYR 23 HE2 TYR 23 -14.427 0.133 -0.147
151 HH TYR 23 HH TYR 23 -15.409 -0.663 -2.006
152 HA PRO 24 HA PRO 24 -6.217 3.850 1.222
153 1HB PRO 24 HB2 PRO 24 -6.862 4.761 3.733
154 2HB PRO 24 HB1 PRO 24 -7.222 5.657 2.247
155 1HG PRO 24 HG2 PRO 24 -9.077 4.144 4.020
156 2HG PRO 24 HG1 PRO 24 -9.420 5.502 2.935
157 1HD PRO 24 HD2 PRO 24 -9.964 2.766 2.412
158 2HD PRO 24 HD1 PRO 24 -10.024 4.094 1.232
159 H ASN 25 HN ASN 25 -7.777 1.156 2.330
160 HA ASN 25 HA ASN 25 -6.025 0.605 4.633
161 1HB ASN 25 HB2 ASN 25 -8.508 -0.146 4.308
162 2HB ASN 25 HB1 ASN 25 -7.811 -1.431 3.323
163 1HD2 ASN 25 HD21 ASN 25 -8.458 -3.035 4.983
164 2HD2 ASN 25 HD22 ASN 25 -7.581 -3.172 6.429
165 H ALA 26 HN ALA 26 -3.932 0.496 3.708
166 HA ALA 26 HA ALA 26 -3.443 -1.983 2.146
167 1HB ALA 26 HB1 ALA 26 -3.150 0.739 1.154
168 2HB ALA 26 HB2 ALA 26 -3.038 -0.787 0.276
169 3HB ALA 26 HB3 ALA 26 -1.621 -0.139 1.101
170 H LYS 27 HN LYS 27 -1.244 -2.769 2.396
171 HA LYS 27 HA LYS 27 0.221 -1.473 4.661
172 1HB LYS 27 HB2 LYS 27 -0.693 -4.262 4.285
173 2HB LYS 27 HB1 LYS 27 0.970 -4.088 4.850
174 1HG LYS 27 HG2 LYS 27 -0.623 -4.203 6.744
175 2HG LYS 27 HG1 LYS 27 0.214 -2.651 6.694
176 1HD LYS 27 HD2 LYS 27 -1.685 -1.494 6.183
177 2HD LYS 27 HD1 LYS 27 -2.306 -2.778 5.144
178 1HE LYS 27 HE2 LYS 27 -3.205 -3.980 6.952
179 2HE LYS 27 HE1 LYS 27 -2.179 -3.158 8.128
180 1HZ LYS 27 HZ1 LYS 27 -3.536 -1.374 8.209
181 2HZ LYS 27 HZ2 LYS 27 -4.707 -2.512 7.740
182 3HZ LYS 27 HZ3 LYS 27 -3.999 -1.491 6.582
183 H CYS 28 HN CYS 28 2.505 -1.511 4.514
184 HA CYS 28 HA CYS 28 3.532 -2.053 1.771
185 1HB CYS 28 HB2 CYS 28 4.520 -0.372 4.079
186 2HB CYS 28 HB1 CYS 28 5.571 -0.780 2.724
187 H MET 29 HN MET 29 3.959 -4.277 1.814
188 HA MET 29 HA MET 29 5.628 -5.306 4.051
189 1HB MET 29 HB2 MET 29 3.444 -6.438 3.080
190 2HB MET 29 HB1 MET 29 4.561 -7.054 1.863
191 1HG MET 29 HG2 MET 29 5.833 -7.377 4.379
192 2HG MET 29 HG1 MET 29 4.181 -7.963 4.564
193 1HE MET 29 HE1 MET 29 4.098 -10.361 4.624
194 2HE MET 29 HE2 MET 29 4.099 -11.257 3.106
195 3HE MET 29 HE3 MET 29 3.092 -9.820 3.272
196 H ASN 30 HN ASN 30 7.717 -4.663 3.508
197 HA ASN 30 HA ASN 30 9.765 -4.715 2.368
198 1HB ASN 30 HB2 ASN 30 8.439 -7.262 1.856
199 2HB ASN 30 HB1 ASN 30 9.516 -6.803 0.535
200 1HD2 ASN 30 HD21 ASN 30 9.608 -6.633 4.150
201 2HD2 ASN 30 HD22 ASN 30 11.201 -7.210 4.276
202 H ARG 31 HN ARG 31 8.326 -2.746 1.353
203 HA ARG 31 HA ARG 31 8.045 -1.426 -0.565
204 1HB ARG 31 HB2 ARG 31 10.113 -3.426 -1.332
205 2HB ARG 31 HB1 ARG 31 9.338 -2.539 -2.646
206 1HG ARG 31 HG2 ARG 31 10.807 -0.879 -2.200
207 2HG ARG 31 HG1 ARG 31 9.842 -0.567 -0.758
208 1HD ARG 31 HD2 ARG 31 11.731 -1.008 0.407
209 2HD ARG 31 HD1 ARG 31 11.425 -2.701 0.015
210 HE ARG 31 HE ARG 31 13.301 -2.609 -1.397
211 1HH1 ARG 31 HH21 ARG 31 12.809 0.457 -0.111
212 2HH1 ARG 31 HH22 ARG 31 13.647 1.309 -1.365
213 1HH2 ARG 31 HH11 ARG 31 14.026 -1.490 -3.378
214 2HH2 ARG 31 HH12 ARG 31 14.337 0.206 -3.215
215 H LYS 32 HN LYS 32 6.525 -4.182 -0.067
216 HA LYS 32 HA LYS 32 5.337 -4.337 -2.804
217 1HB LYS 32 HB2 LYS 32 6.147 -6.355 -0.993
218 2HB LYS 32 HB1 LYS 32 4.384 -6.390 -1.016
219 1HG LYS 32 HG2 LYS 32 6.134 -6.400 -3.491
220 2HG LYS 32 HG1 LYS 32 5.395 -7.837 -2.782
221 1HD LYS 32 HD2 LYS 32 3.317 -7.308 -3.555
222 2HD LYS 32 HD1 LYS 32 3.542 -5.582 -3.265
223 1HE LYS 32 HE2 LYS 32 3.522 -5.660 -5.598
224 2HE LYS 32 HE1 LYS 32 5.250 -5.758 -5.258
225 1HZ LYS 32 HZ1 LYS 32 3.798 -7.544 -6.715
226 2HZ LYS 32 HZ2 LYS 32 3.976 -8.318 -5.213
227 3HZ LYS 32 HZ3 LYS 32 5.347 -7.807 -6.077
228 H CYS 33 HN CYS 33 3.776 -2.735 -2.754
229 HA CYS 33 HA CYS 33 2.148 -2.190 -0.432
230 1HB CYS 33 HB2 CYS 33 2.329 -1.241 -3.221
231 2HB CYS 33 HB1 CYS 33 0.713 -1.164 -2.520
232 H LYS 34 HN LYS 34 0.212 -3.074 0.155
233 HA LYS 34 HA LYS 34 -1.156 -4.878 -1.791
234 1HB LYS 34 HB2 LYS 34 -0.851 -5.503 1.158
235 2HB LYS 34 HB1 LYS 34 -1.486 -6.559 -0.104
236 1HG LYS 34 HG2 LYS 34 0.670 -6.787 -1.123
237 2HG LYS 34 HG1 LYS 34 1.344 -5.488 -0.139
238 1HD LYS 34 HD2 LYS 34 2.015 -7.087 1.305
239 2HD LYS 34 HD1 LYS 34 0.315 -7.279 1.733
240 1HE LYS 34 HE2 LYS 34 1.527 -8.714 -0.632
241 2HE LYS 34 HE1 LYS 34 1.565 -9.401 0.992
242 1HZ LYS 34 HZ1 LYS 34 -0.790 -8.752 -0.672
243 2HZ LYS 34 HZ2 LYS 34 -0.919 -8.961 1.010
244 3HZ LYS 34 HZ3 LYS 34 -0.371 -10.238 0.032
245 H CYS 35 HN CYS 35 -2.804 -3.331 -2.142
246 HA CYS 35 HA CYS 35 -4.228 -2.258 0.221
247 1HB CYS 35 HB2 CYS 35 -5.367 -1.717 -2.451
248 2HB CYS 35 HB1 CYS 35 -5.004 -0.603 -1.137
249 H PHE 36 HN PHE 36 -5.781 -3.532 1.094
250 HA PHE 36 HA PHE 36 -7.081 -5.593 -0.575
251 1HB PHE 36 HB2 PHE 36 -7.006 -4.984 2.373
252 2HB PHE 36 HB1 PHE 36 -8.228 -6.074 1.718
253 HD1 PHE 36 HD1 PHE 36 -4.796 -5.734 2.750
254 HD2 PHE 36 HD2 PHE 36 -7.444 -8.054 0.291
255 HE1 PHE 36 HE1 PHE 36 -3.129 -7.568 2.687
256 HE2 PHE 36 HE2 PHE 36 -5.777 -9.889 0.226
257 HZ PHE 36 HZ PHE 36 -3.620 -9.646 1.425
258 H GLY 37 HN GLY 37 -8.291 -3.138 1.746
259 1HA GLY 37 HA2 GLY 37 -10.147 -1.700 1.547
260 2HA GLY 37 HA1 GLY 37 -10.232 -2.131 -0.162
261 H ARG 38 HN ARG 38 -11.195 -3.140 3.086
262 HA ARG 38 HA ARG 38 -13.721 -4.139 2.212
263 1HB ARG 38 HB2 ARG 38 -11.457 -6.054 2.196
264 2HB ARG 38 HB1 ARG 38 -12.926 -6.617 2.995
265 1HG ARG 38 HG2 ARG 38 -13.902 -5.412 0.705
266 2HG ARG 38 HG1 ARG 38 -12.413 -6.171 0.143
267 1HD ARG 38 HD2 ARG 38 -13.712 -8.016 1.883
268 2HD ARG 38 HD1 ARG 38 -14.919 -7.421 0.743
269 HE ARG 38 HE ARG 38 -13.593 -8.327 -1.069
270 1HH1 ARG 38 HH11 ARG 38 -11.328 -7.997 1.319
271 2HH1 ARG 38 HH12 ARG 38 -10.645 -9.582 1.167
272 1HH2 ARG 38 HH21 ARG 38 -13.132 -10.739 -0.954
273 2HH2 ARG 38 HH22 ARG 38 -11.668 -11.135 -0.116
Start of MODEL 5
1 1H THR 4 HT1 THR 4 6.186 -2.995 -6.452
2 2H THR 4 HT2 THR 4 6.628 -3.545 -7.998
3 3H THR 4 HT3 THR 4 5.083 -3.888 -7.380
4 HA THR 4 HA THR 4 5.722 -1.804 -9.006
5 HB THR 4 HB THR 4 3.397 -2.195 -7.106
6 HG1 THR 4 HG1 THR 4 3.555 -3.851 -8.563
7 1HG2 THR 4 HG21 THR 4 2.198 -0.570 -8.332
8 2HG2 THR 4 HG22 THR 4 3.381 -0.560 -9.640
9 3HG2 THR 4 HG23 THR 4 3.781 0.165 -8.083
10 H ILE 5 HN ILE 5 4.069 -0.737 -6.154
11 HA ILE 5 HA ILE 5 5.489 1.713 -6.004
12 HB ILE 5 HB ILE 5 4.071 0.389 -3.717
13 1HG1 ILE 5 HG12 ILE 5 2.608 0.277 -5.678
14 2HG1 ILE 5 HG11 ILE 5 2.023 1.525 -4.578
15 1HG2 ILE 5 HG21 ILE 5 4.765 3.211 -4.484
16 2HG2 ILE 5 HG22 ILE 5 5.115 2.366 -2.976
17 3HG2 ILE 5 HG23 ILE 5 3.465 2.869 -3.344
18 1HD1 ILE 5 HD11 ILE 5 3.824 2.066 -6.954
19 2HD1 ILE 5 HD12 ILE 5 3.065 3.267 -5.909
20 3HD1 ILE 5 HD13 ILE 5 2.072 2.268 -6.970
21 H SER 6 HN SER 6 6.713 2.400 -3.970
22 HA SER 6 HA SER 6 8.393 0.205 -2.857
23 1HB SER 6 HB2 SER 6 9.455 2.781 -4.064
24 2HB SER 6 HB1 SER 6 10.424 1.589 -3.203
25 HG SER 6 HG SER 6 9.644 0.059 -4.812
26 H CYS 7 HN CYS 7 7.283 0.519 -0.852
27 HA CYS 7 HA CYS 7 7.967 3.096 0.504
28 1HB CYS 7 HB2 CYS 7 5.772 2.837 1.735
29 2HB CYS 7 HB1 CYS 7 5.608 3.203 0.015
30 H THR 8 HN THR 8 7.274 2.644 3.015
31 HA THR 8 HA THR 8 8.317 -0.027 3.815
32 HB THR 8 HB THR 8 10.299 1.236 4.027
33 HG1 THR 8 HG1 THR 8 10.124 1.895 6.431
34 1HG2 THR 8 HG21 THR 8 10.369 3.533 4.842
35 2HG2 THR 8 HG22 THR 8 8.642 3.489 5.195
36 3HG2 THR 8 HG23 THR 8 9.203 3.420 3.524
37 H ASN 9 HN ASN 9 6.745 3.014 4.771
38 HA ASN 9 HA ASN 9 5.683 1.823 7.236
39 1HB ASN 9 HB2 ASN 9 6.282 4.348 6.706
40 2HB ASN 9 HB1 ASN 9 4.635 4.381 6.073
41 1HD2 ASN 9 HD21 ASN 9 5.925 5.525 8.658
42 2HD2 ASN 9 HD22 ASN 9 4.884 4.993 9.888
43 H GLU 10 HN GLU 10 3.458 1.334 7.576
44 HA GLU 10 HA GLU 10 2.087 0.158 5.360
45 1HB GLU 10 HB2 GLU 10 1.677 -0.632 7.612
46 2HB GLU 10 HB1 GLU 10 1.118 0.961 8.118
47 1HG GLU 10 HG2 GLU 10 -0.644 0.674 6.206
48 2HG GLU 10 HG1 GLU 10 -0.250 -1.040 6.338
49 H LYS 11 HN LYS 11 1.699 3.297 6.981
50 HA LYS 11 HA LYS 11 -0.669 4.074 5.549
51 1HB LYS 11 HB2 LYS 11 0.251 5.111 7.683
52 2HB LYS 11 HB1 LYS 11 1.433 5.940 6.670
53 1HG LYS 11 HG2 LYS 11 -0.884 6.484 5.325
54 2HG LYS 11 HG1 LYS 11 -1.458 6.448 6.993
55 1HD LYS 11 HD2 LYS 11 -0.053 8.204 7.654
56 2HD LYS 11 HD1 LYS 11 1.047 7.963 6.296
57 1HE LYS 11 HE2 LYS 11 -1.799 8.718 5.732
58 2HE LYS 11 HE1 LYS 11 -0.677 9.968 6.272
59 1HZ LYS 11 HZ1 LYS 11 0.756 8.648 4.410
60 2HZ LYS 11 HZ2 LYS 11 -0.113 10.081 4.131
61 3HZ LYS 11 HZ3 LYS 11 -0.806 8.576 3.755
62 H GLN 12 HN GLN 12 2.466 3.612 4.405
63 HA GLN 12 HA GLN 12 2.637 5.845 2.574
64 1HB GLN 12 HB2 GLN 12 4.094 3.272 2.961
65 2HB GLN 12 HB1 GLN 12 4.232 4.056 1.388
66 1HG GLN 12 HG2 GLN 12 4.540 6.167 3.146
67 2HG GLN 12 HG1 GLN 12 5.374 4.850 3.970
68 1HE2 GLN 12 HE21 GLN 12 5.059 5.536 0.445
69 2HE2 GLN 12 HE22 GLN 12 6.730 5.610 0.161
70 H CYS 13 HN CYS 13 0.480 3.303 2.606
71 HA CYS 13 HA CYS 13 0.155 3.514 -0.362
72 1HB CYS 13 HB2 CYS 13 -0.531 1.062 1.276
73 2HB CYS 13 HB1 CYS 13 -0.499 1.207 -0.481
74 H TYR 14 HN TYR 14 -1.111 4.854 2.108
75 HA TYR 14 HA TYR 14 -3.846 3.900 2.171
76 1HB TYR 14 HB2 TYR 14 -2.294 6.099 3.372
77 2HB TYR 14 HB1 TYR 14 -3.988 6.490 3.065
78 HD1 TYR 14 HD1 TYR 14 -2.229 3.328 4.060
79 HD2 TYR 14 HD2 TYR 14 -5.225 6.249 5.031
80 HE1 TYR 14 HE1 TYR 14 -2.889 1.991 6.042
81 HE2 TYR 14 HE2 TYR 14 -5.886 4.912 7.014
82 HH TYR 14 HH TYR 14 -4.002 2.246 8.145
83 HA PRO 15 HA PRO 15 -4.665 7.624 -0.717
84 1HB PRO 15 HB2 PRO 15 -2.482 8.961 -1.715
85 2HB PRO 15 HB1 PRO 15 -3.294 9.404 -0.203
86 1HG PRO 15 HG2 PRO 15 -0.683 8.015 -0.596
87 2HG PRO 15 HG1 PRO 15 -1.227 9.022 0.757
88 1HD PRO 15 HD2 PRO 15 -1.123 6.199 0.734
89 2HD PRO 15 HD1 PRO 15 -1.975 7.199 1.928
90 H HIS 16 HN HIS 16 -1.635 5.922 -1.503
91 HA HIS 16 HA HIS 16 -2.041 5.910 -4.344
92 1HB HIS 16 HB2 HIS 16 0.127 5.307 -4.025
93 2HB HIS 16 HB1 HIS 16 -0.191 4.690 -2.409
94 HD1 HIS 16 HD1 HIS 16 -0.085 3.638 -6.018
95 HD2 HIS 16 HD2 HIS 16 -0.753 1.909 -2.286
96 HE1 HIS 16 HE1 HIS 16 -0.054 1.130 -6.376
97 H CYS 17 HN CYS 17 -3.150 3.783 -1.742
98 HA CYS 17 HA CYS 17 -4.108 1.716 -3.545
99 1HB CYS 17 HB2 CYS 17 -4.340 2.296 -0.630
100 2HB CYS 17 HB1 CYS 17 -5.566 1.252 -1.347
101 H LYS 18 HN LYS 18 -5.710 4.379 -1.764
102 HA LYS 18 HA LYS 18 -8.345 3.825 -2.682
103 1HB LYS 18 HB2 LYS 18 -7.948 5.422 -0.885
104 2HB LYS 18 HB1 LYS 18 -7.059 6.479 -1.983
105 1HG LYS 18 HG2 LYS 18 -9.139 6.653 -3.389
106 2HG LYS 18 HG1 LYS 18 -10.000 5.764 -2.133
107 1HD LYS 18 HD2 LYS 18 -8.676 7.748 -0.714
108 2HD LYS 18 HD1 LYS 18 -9.186 8.572 -2.188
109 1HE LYS 18 HE2 LYS 18 -11.237 8.745 -1.268
110 2HE LYS 18 HE1 LYS 18 -11.385 6.997 -1.458
111 1HZ LYS 18 HZ1 LYS 18 -9.963 7.066 0.749
112 2HZ LYS 18 HZ2 LYS 18 -11.660 7.142 0.769
113 3HZ LYS 18 HZ3 LYS 18 -10.741 8.564 0.920
114 H LYS 19 HN LYS 19 -5.654 5.453 -4.259
115 HA LYS 19 HA LYS 19 -7.321 6.531 -6.405
116 1HB LYS 19 HB2 LYS 19 -4.336 6.326 -5.986
117 2HB LYS 19 HB1 LYS 19 -5.041 6.985 -7.463
118 1HG LYS 19 HG2 LYS 19 -6.344 8.150 -5.173
119 2HG LYS 19 HG1 LYS 19 -4.597 8.344 -5.020
120 1HD LYS 19 HD2 LYS 19 -4.447 9.695 -6.871
121 2HD LYS 19 HD1 LYS 19 -5.773 8.878 -7.703
122 1HE LYS 19 HE2 LYS 19 -6.467 11.139 -7.068
123 2HE LYS 19 HE1 LYS 19 -7.382 9.951 -6.139
124 1HZ LYS 19 HZ1 LYS 19 -6.214 11.974 -4.981
125 2HZ LYS 19 HZ2 LYS 19 -4.865 10.944 -5.021
126 3HZ LYS 19 HZ3 LYS 19 -6.286 10.457 -4.228
127 H GLU 20 HN GLU 20 -5.354 3.643 -5.909
128 HA GLU 20 HA GLU 20 -5.490 2.872 -8.723
129 1HB GLU 20 HB2 GLU 20 -3.691 2.221 -6.956
130 2HB GLU 20 HB1 GLU 20 -4.844 0.973 -6.478
131 1HG GLU 20 HG2 GLU 20 -4.646 -0.172 -8.475
132 2HG GLU 20 HG1 GLU 20 -4.253 1.284 -9.392
133 H THR 21 HN THR 21 -7.466 2.364 -5.884
134 HA THR 21 HA THR 21 -9.382 0.878 -7.588
135 HB THR 21 HB THR 21 -7.925 -0.787 -6.348
136 HG1 THR 21 HG1 THR 21 -9.690 -1.853 -6.656
137 1HG2 THR 21 HG21 THR 21 -7.877 0.764 -4.279
138 2HG2 THR 21 HG22 THR 21 -8.048 -0.969 -3.999
139 3HG2 THR 21 HG23 THR 21 -9.460 0.084 -3.905
140 H GLY 22 HN GLY 22 -8.731 2.421 -4.448
141 1HA GLY 22 HA2 GLY 22 -10.400 4.303 -3.981
142 2HA GLY 22 HA1 GLY 22 -11.643 3.099 -4.315
143 H TYR 23 HN TYR 23 -8.863 1.892 -2.684
144 HA TYR 23 HA TYR 23 -10.398 1.944 -0.121
145 1HB TYR 23 HB2 TYR 23 -9.011 -0.222 -1.559
146 2HB TYR 23 HB1 TYR 23 -8.641 -0.140 0.163
147 HD1 TYR 23 HD1 TYR 23 -11.545 -0.034 -2.204
148 HD2 TYR 23 HD2 TYR 23 -10.121 -1.078 1.711
149 HE1 TYR 23 HE1 TYR 23 -13.743 -1.056 -1.677
150 HE2 TYR 23 HE2 TYR 23 -12.317 -2.100 2.239
151 HH TYR 23 HH TYR 23 -15.074 -1.711 0.154
152 HA PRO 24 HA PRO 24 -6.805 4.120 1.337
153 1HB PRO 24 HB2 PRO 24 -7.672 4.368 3.932
154 2HB PRO 24 HB1 PRO 24 -8.265 5.382 2.605
155 1HG PRO 24 HG2 PRO 24 -9.636 3.137 4.006
156 2HG PRO 24 HG1 PRO 24 -10.337 4.523 3.156
157 1HD PRO 24 HD2 PRO 24 -10.115 1.880 2.146
158 2HD PRO 24 HD1 PRO 24 -10.543 3.329 1.213
159 H ASN 25 HN ASN 25 -8.187 1.623 3.507
160 HA ASN 25 HA ASN 25 -5.966 0.976 5.034
161 1HB ASN 25 HB2 ASN 25 -7.878 -1.030 3.798
162 2HB ASN 25 HB1 ASN 25 -6.890 -1.286 5.237
163 1HD2 ASN 25 HD21 ASN 25 -7.586 1.815 5.738
164 2HD2 ASN 25 HD22 ASN 25 -9.088 1.701 6.518
165 H ALA 26 HN ALA 26 -3.914 0.759 4.249
166 HA ALA 26 HA ALA 26 -3.418 -1.369 2.261
167 1HB ALA 26 HB1 ALA 26 -2.184 0.021 0.745
168 2HB ALA 26 HB2 ALA 26 -2.284 1.405 1.834
169 3HB ALA 26 HB3 ALA 26 -3.732 0.823 1.011
170 H LYS 27 HN LYS 27 -1.290 -2.209 2.418
171 HA LYS 27 HA LYS 27 0.431 -1.008 4.544
172 1HB LYS 27 HB2 LYS 27 0.991 -3.338 5.266
173 2HB LYS 27 HB1 LYS 27 -0.703 -2.924 5.537
174 1HG LYS 27 HG2 LYS 27 -1.086 -4.899 4.458
175 2HG LYS 27 HG1 LYS 27 -0.841 -3.921 3.010
176 1HD LYS 27 HD2 LYS 27 0.781 -5.434 2.518
177 2HD LYS 27 HD1 LYS 27 1.742 -4.537 3.694
178 1HE LYS 27 HE2 LYS 27 0.382 -6.163 5.373
179 2HE LYS 27 HE1 LYS 27 0.443 -7.198 3.945
180 1HZ LYS 27 HZ1 LYS 27 2.874 -6.713 3.864
181 2HZ LYS 27 HZ2 LYS 27 2.381 -7.621 5.212
182 3HZ LYS 27 HZ3 LYS 27 2.727 -5.966 5.379
183 H CYS 28 HN CYS 28 2.731 -1.702 4.337
184 HA CYS 28 HA CYS 28 3.436 -2.052 1.462
185 1HB CYS 28 HB2 CYS 28 5.050 -1.059 3.830
186 2HB CYS 28 HB1 CYS 28 5.703 -1.266 2.205
187 H MET 29 HN MET 29 3.860 -4.139 0.921
188 HA MET 29 HA MET 29 5.184 -5.881 2.962
189 1HB MET 29 HB2 MET 29 2.891 -6.526 1.952
190 2HB MET 29 HB1 MET 29 3.787 -6.860 0.470
191 1HG MET 29 HG2 MET 29 5.279 -8.088 2.504
192 2HG MET 29 HG1 MET 29 3.597 -8.454 2.890
193 1HE MET 29 HE1 MET 29 6.221 -10.714 1.083
194 2HE MET 29 HE2 MET 29 6.539 -9.002 1.349
195 3HE MET 29 HE3 MET 29 6.374 -9.616 -0.294
196 H ASN 30 HN ASN 30 7.347 -6.066 2.574
197 HA ASN 30 HA ASN 30 9.381 -6.109 1.391
198 1HB ASN 30 HB2 ASN 30 8.459 -8.295 0.704
199 2HB ASN 30 HB1 ASN 30 7.603 -7.517 -0.627
200 1HD2 ASN 30 HD21 ASN 30 8.709 -7.943 -2.540
201 2HD2 ASN 30 HD22 ASN 30 10.397 -7.906 -2.720
202 H ARG 31 HN ARG 31 8.325 -3.645 1.206
203 HA ARG 31 HA ARG 31 8.238 -1.709 -0.117
204 1HB ARG 31 HB2 ARG 31 10.248 -3.478 -1.453
205 2HB ARG 31 HB1 ARG 31 9.718 -2.027 -2.306
206 1HG ARG 31 HG2 ARG 31 10.179 -1.281 0.396
207 2HG ARG 31 HG1 ARG 31 11.571 -2.232 -0.122
208 1HD ARG 31 HD2 ARG 31 11.769 -0.802 -2.144
209 2HD ARG 31 HD1 ARG 31 10.419 0.174 -1.564
210 HE ARG 31 HE ARG 31 12.779 -0.102 0.213
211 1HH1 ARG 31 HH11 ARG 31 13.374 1.641 -2.168
212 2HH1 ARG 31 HH12 ARG 31 12.911 3.206 -1.588
213 1HH2 ARG 31 HH21 ARG 31 11.070 1.966 1.075
214 2HH2 ARG 31 HH22 ARG 31 11.610 3.390 0.249
215 H LYS 32 HN LYS 32 6.156 -3.697 -0.469
216 HA LYS 32 HA LYS 32 5.392 -3.047 -3.283
217 1HB LYS 32 HB2 LYS 32 6.076 -5.542 -2.663
218 2HB LYS 32 HB1 LYS 32 4.432 -5.590 -2.027
219 1HG LYS 32 HG2 LYS 32 3.700 -5.943 -4.125
220 2HG LYS 32 HG1 LYS 32 4.230 -4.309 -4.525
221 1HD LYS 32 HD2 LYS 32 5.758 -5.203 -5.914
222 2HD LYS 32 HD1 LYS 32 6.568 -5.889 -4.504
223 1HE LYS 32 HE2 LYS 32 4.169 -7.358 -5.437
224 2HE LYS 32 HE1 LYS 32 5.558 -7.399 -6.524
225 1HZ LYS 32 HZ1 LYS 32 6.729 -7.829 -4.165
226 2HZ LYS 32 HZ2 LYS 32 6.199 -9.070 -5.196
227 3HZ LYS 32 HZ3 LYS 32 5.228 -8.571 -3.894
228 H CYS 33 HN CYS 33 3.990 -1.368 -2.668
229 HA CYS 33 HA CYS 33 2.304 -1.156 -0.492
230 1HB CYS 33 HB2 CYS 33 2.137 -0.236 -3.315
231 2HB CYS 33 HB1 CYS 33 0.638 -0.183 -2.387
232 H LYS 34 HN LYS 34 0.102 -1.789 -0.067
233 HA LYS 34 HA LYS 34 -1.039 -3.900 -1.807
234 1HB LYS 34 HB2 LYS 34 0.173 -4.338 0.843
235 2HB LYS 34 HB1 LYS 34 -1.457 -4.992 0.681
236 1HG LYS 34 HG2 LYS 34 -0.237 -5.684 -1.721
237 2HG LYS 34 HG1 LYS 34 1.037 -5.920 -0.526
238 1HD LYS 34 HD2 LYS 34 -0.306 -7.429 0.751
239 2HD LYS 34 HD1 LYS 34 -1.762 -7.000 -0.146
240 1HE LYS 34 HE2 LYS 34 0.504 -8.019 -1.770
241 2HE LYS 34 HE1 LYS 34 -0.274 -9.193 -0.709
242 1HZ LYS 34 HZ1 LYS 34 -1.291 -9.042 -2.940
243 2HZ LYS 34 HZ2 LYS 34 -1.732 -7.436 -2.604
244 3HZ LYS 34 HZ3 LYS 34 -2.382 -8.708 -1.685
245 H CYS 35 HN CYS 35 -3.266 -3.789 -1.834
246 HA CYS 35 HA CYS 35 -4.511 -1.850 0.067
247 1HB CYS 35 HB2 CYS 35 -5.697 -2.822 -2.542
248 2HB CYS 35 HB1 CYS 35 -6.158 -1.402 -1.602
249 H PHE 36 HN PHE 36 -5.621 -2.829 1.680
250 HA PHE 36 HA PHE 36 -6.259 -5.606 1.742
251 1HB PHE 36 HB2 PHE 36 -7.138 -3.217 3.341
252 2HB PHE 36 HB1 PHE 36 -7.925 -4.775 3.590
253 HD1 PHE 36 HD1 PHE 36 -5.093 -2.751 4.402
254 HD2 PHE 36 HD2 PHE 36 -6.380 -6.827 3.986
255 HE1 PHE 36 HE1 PHE 36 -3.183 -3.495 5.797
256 HE2 PHE 36 HE2 PHE 36 -4.469 -7.571 5.382
257 HZ PHE 36 HZ PHE 36 -2.870 -5.905 6.287
258 H GLY 37 HN GLY 37 -8.002 -2.843 0.483
259 1HA GLY 37 HA2 GLY 37 -10.634 -3.813 0.403
260 2HA GLY 37 HA1 GLY 37 -9.942 -2.774 -0.844
261 H ARG 38 HN ARG 38 -7.844 -4.813 -1.459
262 HA ARG 38 HA ARG 38 -9.278 -6.219 -3.526
263 1HB ARG 38 HB2 ARG 38 -6.624 -5.622 -3.033
264 2HB ARG 38 HB1 ARG 38 -6.682 -7.366 -2.771
265 1HG ARG 38 HG2 ARG 38 -6.236 -7.052 -5.105
266 2HG ARG 38 HG1 ARG 38 -7.929 -7.536 -4.984
267 1HD ARG 38 HD2 ARG 38 -8.649 -5.570 -5.826
268 2HD ARG 38 HD1 ARG 38 -7.597 -4.645 -4.754
269 HE ARG 38 HE ARG 38 -6.841 -5.662 -7.447
270 1HH1 ARG 38 HH21 ARG 38 -5.159 -5.026 -4.686
271 2HH1 ARG 38 HH22 ARG 38 -4.262 -3.677 -5.297
272 1HH2 ARG 38 HH11 ARG 38 -6.128 -3.417 -8.208
273 2HH2 ARG 38 HH12 ARG 38 -4.812 -2.764 -7.293
Start of MODEL 6
1 1H THR 4 HT1 THR 4 4.779 -3.541 -5.895
2 2H THR 4 HT2 THR 4 5.144 -4.099 -7.457
3 3H THR 4 HT3 THR 4 3.615 -4.398 -6.781
4 HA THR 4 HA THR 4 3.780 -2.544 -8.490
5 HB THR 4 HB THR 4 2.680 -1.531 -5.894
6 HG1 THR 4 HG1 THR 4 1.098 -3.085 -5.933
7 1HG2 THR 4 HG21 THR 4 1.843 -1.664 -8.785
8 2HG2 THR 4 HG22 THR 4 2.036 -0.242 -7.761
9 3HG2 THR 4 HG23 THR 4 0.665 -1.324 -7.519
10 H ILE 5 HN ILE 5 3.472 -0.012 -6.647
11 HA ILE 5 HA ILE 5 5.892 1.232 -7.347
12 HB ILE 5 HB ILE 5 5.148 3.010 -5.888
13 1HG1 ILE 5 HG12 ILE 5 2.848 1.509 -4.791
14 2HG1 ILE 5 HG11 ILE 5 4.422 1.047 -4.142
15 1HG2 ILE 5 HG21 ILE 5 2.486 2.620 -6.506
16 2HG2 ILE 5 HG22 ILE 5 3.316 1.593 -7.675
17 3HG2 ILE 5 HG23 ILE 5 3.691 3.314 -7.591
18 1HD1 ILE 5 HD11 ILE 5 3.275 2.914 -2.875
19 2HD1 ILE 5 HD12 ILE 5 3.471 3.917 -4.312
20 3HD1 ILE 5 HD13 ILE 5 4.891 3.311 -3.460
21 H SER 6 HN SER 6 6.823 2.444 -5.006
22 HA SER 6 HA SER 6 7.931 0.133 -3.462
23 1HB SER 6 HB2 SER 6 10.021 1.622 -3.263
24 2HB SER 6 HB1 SER 6 9.736 0.864 -4.827
25 HG SER 6 HG SER 6 9.060 3.511 -4.044
26 H CYS 7 HN CYS 7 6.620 0.410 -1.642
27 HA CYS 7 HA CYS 7 6.560 3.114 -0.397
28 1HB CYS 7 HB2 CYS 7 4.739 2.199 0.997
29 2HB CYS 7 HB1 CYS 7 4.387 1.990 -0.718
30 H THR 8 HN THR 8 7.369 3.447 1.684
31 HA THR 8 HA THR 8 8.899 1.154 2.847
32 HB THR 8 HB THR 8 10.413 2.899 2.069
33 HG1 THR 8 HG1 THR 8 11.089 3.632 4.308
34 1HG2 THR 8 HG21 THR 8 10.097 5.163 3.444
35 2HG2 THR 8 HG22 THR 8 8.411 4.649 3.425
36 3HG2 THR 8 HG23 THR 8 9.273 4.897 1.907
37 H ASN 9 HN ASN 9 6.066 2.362 3.260
38 HA ASN 9 HA ASN 9 6.056 2.001 6.158
39 1HB ASN 9 HB2 ASN 9 6.487 4.593 5.269
40 2HB ASN 9 HB1 ASN 9 4.742 4.545 5.529
41 1HD2 ASN 9 HD21 ASN 9 4.043 4.757 7.672
42 2HD2 ASN 9 HD22 ASN 9 5.046 4.606 9.033
43 H GLU 10 HN GLU 10 3.787 1.987 6.979
44 HA GLU 10 HA GLU 10 2.023 0.647 5.160
45 1HB GLU 10 HB2 GLU 10 2.149 1.006 7.907
46 2HB GLU 10 HB1 GLU 10 0.700 1.902 7.452
47 1HG GLU 10 HG2 GLU 10 -0.298 -0.144 7.566
48 2HG GLU 10 HG1 GLU 10 0.385 -0.349 5.953
49 H LYS 11 HN LYS 11 1.856 3.934 6.572
50 HA LYS 11 HA LYS 11 -0.477 4.718 5.112
51 1HB LYS 11 HB2 LYS 11 0.367 5.905 7.124
52 2HB LYS 11 HB1 LYS 11 1.745 6.479 6.184
53 1HG LYS 11 HG2 LYS 11 0.371 7.797 4.767
54 2HG LYS 11 HG1 LYS 11 -1.096 6.974 5.293
55 1HD LYS 11 HD2 LYS 11 -0.422 7.880 7.666
56 2HD LYS 11 HD1 LYS 11 0.533 9.040 6.741
57 1HE LYS 11 HE2 LYS 11 -2.426 8.533 6.314
58 2HE LYS 11 HE1 LYS 11 -1.768 9.874 7.254
59 1HZ LYS 11 HZ1 LYS 11 -0.419 10.340 5.135
60 2HZ LYS 11 HZ2 LYS 11 -2.059 10.783 5.166
61 3HZ LYS 11 HZ3 LYS 11 -1.573 9.372 4.356
62 H GLN 12 HN GLN 12 2.642 4.099 3.949
63 HA GLN 12 HA GLN 12 2.871 6.190 1.988
64 1HB GLN 12 HB2 GLN 12 4.177 3.597 2.521
65 2HB GLN 12 HB1 GLN 12 4.177 4.089 0.829
66 1HG GLN 12 HG2 GLN 12 4.880 6.153 2.870
67 2HG GLN 12 HG1 GLN 12 6.078 4.906 2.520
68 1HE2 GLN 12 HE21 GLN 12 7.440 5.411 0.804
69 2HE2 GLN 12 HE22 GLN 12 7.050 6.455 -0.477
70 H CYS 13 HN CYS 13 1.385 2.951 1.877
71 HA CYS 13 HA CYS 13 0.485 3.488 -0.896
72 1HB CYS 13 HB2 CYS 13 0.043 1.032 0.830
73 2HB CYS 13 HB1 CYS 13 -0.277 1.167 -0.899
74 H TYR 14 HN TYR 14 -0.573 4.503 1.974
75 HA TYR 14 HA TYR 14 -3.317 3.662 2.046
76 1HB TYR 14 HB2 TYR 14 -1.654 5.701 3.369
77 2HB TYR 14 HB1 TYR 14 -3.352 6.150 3.200
78 HD1 TYR 14 HD1 TYR 14 -4.672 5.596 5.031
79 HD2 TYR 14 HD2 TYR 14 -1.425 3.006 3.939
80 HE1 TYR 14 HE1 TYR 14 -5.253 4.078 6.904
81 HE2 TYR 14 HE2 TYR 14 -2.006 1.487 5.813
82 HH TYR 14 HH TYR 14 -3.704 2.254 8.340
83 HA PRO 15 HA PRO 15 -4.232 7.663 -0.401
84 1HB PRO 15 HB2 PRO 15 -2.090 9.064 -1.395
85 2HB PRO 15 HB1 PRO 15 -2.788 9.354 0.208
86 1HG PRO 15 HG2 PRO 15 -0.239 7.979 -0.508
87 2HG PRO 15 HG1 PRO 15 -0.674 8.832 0.982
88 1HD PRO 15 HD2 PRO 15 -0.635 6.027 0.619
89 2HD PRO 15 HD1 PRO 15 -1.361 6.895 1.988
90 H HIS 16 HN HIS 16 -1.304 5.998 -1.558
91 HA HIS 16 HA HIS 16 -1.852 6.324 -4.350
92 1HB HIS 16 HB2 HIS 16 0.304 5.632 -4.215
93 2HB HIS 16 HB1 HIS 16 0.045 4.845 -2.664
94 HD1 HIS 16 HD1 HIS 16 0.346 4.170 -6.286
95 HD2 HIS 16 HD2 HIS 16 -0.960 2.119 -2.902
96 HE1 HIS 16 HE1 HIS 16 0.206 1.726 -6.940
97 H CYS 17 HN CYS 17 -2.438 3.507 -2.190
98 HA CYS 17 HA CYS 17 -3.865 2.025 -4.205
99 1HB CYS 17 HB2 CYS 17 -3.410 1.781 -1.287
100 2HB CYS 17 HB1 CYS 17 -4.874 1.017 -1.897
101 H LYS 18 HN LYS 18 -4.901 4.297 -1.678
102 HA LYS 18 HA LYS 18 -7.677 3.914 -1.788
103 1HB LYS 18 HB2 LYS 18 -6.446 5.539 -0.296
104 2HB LYS 18 HB1 LYS 18 -6.317 6.620 -1.683
105 1HG LYS 18 HG2 LYS 18 -8.831 6.507 -1.899
106 2HG LYS 18 HG1 LYS 18 -8.861 5.636 -0.366
107 1HD LYS 18 HD2 LYS 18 -9.241 8.059 -0.029
108 2HD LYS 18 HD1 LYS 18 -7.746 7.530 0.744
109 1HE LYS 18 HE2 LYS 18 -6.523 8.928 -0.530
110 2HE LYS 18 HE1 LYS 18 -7.241 8.281 -2.005
111 1HZ LYS 18 HZ1 LYS 18 -7.701 10.649 -1.716
112 2HZ LYS 18 HZ2 LYS 18 -8.493 10.323 -0.249
113 3HZ LYS 18 HZ3 LYS 18 -9.127 9.731 -1.710
114 H LYS 19 HN LYS 19 -5.596 5.768 -3.991
115 HA LYS 19 HA LYS 19 -7.864 6.578 -5.656
116 1HB LYS 19 HB2 LYS 19 -4.968 7.096 -5.553
117 2HB LYS 19 HB1 LYS 19 -5.619 6.996 -7.189
118 1HG LYS 19 HG2 LYS 19 -7.492 8.562 -6.320
119 2HG LYS 19 HG1 LYS 19 -6.402 8.882 -4.971
120 1HD LYS 19 HD2 LYS 19 -5.468 10.455 -6.301
121 2HD LYS 19 HD1 LYS 19 -4.741 9.106 -7.175
122 1HE LYS 19 HE2 LYS 19 -6.415 9.120 -8.835
123 2HE LYS 19 HE1 LYS 19 -7.526 10.053 -7.832
124 1HZ LYS 19 HZ1 LYS 19 -6.579 11.474 -9.490
125 2HZ LYS 19 HZ2 LYS 19 -5.000 11.021 -9.055
126 3HZ LYS 19 HZ3 LYS 19 -5.956 11.925 -7.978
127 H GLU 20 HN GLU 20 -5.661 3.891 -5.513
128 HA GLU 20 HA GLU 20 -5.907 3.064 -8.267
129 1HB GLU 20 HB2 GLU 20 -4.075 2.212 -6.941
130 2HB GLU 20 HB1 GLU 20 -5.188 1.534 -5.751
131 1HG GLU 20 HG2 GLU 20 -4.383 -0.231 -7.256
132 2HG GLU 20 HG1 GLU 20 -6.111 0.029 -7.494
133 H THR 21 HN THR 21 -7.379 1.643 -5.318
134 HA THR 21 HA THR 21 -9.557 0.602 -7.071
135 HB THR 21 HB THR 21 -8.355 -1.124 -5.812
136 HG1 THR 21 HG1 THR 21 -10.858 -0.642 -4.583
137 1HG2 THR 21 HG21 THR 21 -9.184 -0.604 -3.150
138 2HG2 THR 21 HG22 THR 21 -8.440 0.878 -3.751
139 3HG2 THR 21 HG23 THR 21 -7.537 -0.636 -3.777
140 H GLY 22 HN GLY 22 -8.882 2.770 -4.437
141 1HA GLY 22 HA2 GLY 22 -10.592 4.551 -4.069
142 2HA GLY 22 HA1 GLY 22 -11.820 3.295 -4.218
143 H TYR 23 HN TYR 23 -9.835 1.515 -2.630
144 HA TYR 23 HA TYR 23 -10.857 2.373 0.019
145 1HB TYR 23 HB2 TYR 23 -9.500 -0.203 -0.830
146 2HB TYR 23 HB1 TYR 23 -10.207 0.108 0.754
147 HD1 TYR 23 HD1 TYR 23 -11.080 0.121 -2.890
148 HD2 TYR 23 HD2 TYR 23 -12.456 -0.403 1.143
149 HE1 TYR 23 HE1 TYR 23 -13.297 -0.592 -3.740
150 HE2 TYR 23 HE2 TYR 23 -14.675 -1.115 0.295
151 HH TYR 23 HH TYR 23 -15.787 -0.535 -2.654
152 HA PRO 24 HA PRO 24 -6.774 3.804 1.015
153 1HB PRO 24 HB2 PRO 24 -7.310 4.387 3.649
154 2HB PRO 24 HB1 PRO 24 -7.804 5.422 2.298
155 1HG PRO 24 HG2 PRO 24 -9.472 3.620 3.985
156 2HG PRO 24 HG1 PRO 24 -9.947 5.065 3.078
157 1HD PRO 24 HD2 PRO 24 -10.376 2.373 2.283
158 2HD PRO 24 HD1 PRO 24 -10.585 3.816 1.267
159 H ASN 25 HN ASN 25 -8.469 1.239 2.694
160 HA ASN 25 HA ASN 25 -6.551 0.370 4.555
161 1HB ASN 25 HB2 ASN 25 -8.756 -0.883 3.042
162 2HB ASN 25 HB1 ASN 25 -7.503 -2.004 3.574
163 1HD2 ASN 25 HD21 ASN 25 -9.402 -2.772 5.026
164 2HD2 ASN 25 HD22 ASN 25 -9.595 -1.988 6.519
165 H ALA 26 HN ALA 26 -4.427 0.676 3.711
166 HA ALA 26 HA ALA 26 -3.634 -1.394 1.712
167 1HB ALA 26 HB1 ALA 26 -1.922 0.411 0.937
168 2HB ALA 26 HB2 ALA 26 -3.025 1.556 1.698
169 3HB ALA 26 HB3 ALA 26 -3.588 0.539 0.373
170 H LYS 27 HN LYS 27 -2.147 -2.694 2.660
171 HA LYS 27 HA LYS 27 -0.515 -1.602 4.898
172 1HB LYS 27 HB2 LYS 27 -0.900 -4.471 3.985
173 2HB LYS 27 HB1 LYS 27 -0.034 -3.953 5.432
174 1HG LYS 27 HG2 LYS 27 -1.952 -3.793 6.598
175 2HG LYS 27 HG1 LYS 27 -2.675 -2.767 5.357
176 1HD LYS 27 HD2 LYS 27 -3.200 -4.798 4.020
177 2HD LYS 27 HD1 LYS 27 -2.548 -5.796 5.321
178 1HE LYS 27 HE2 LYS 27 -4.226 -4.900 6.875
179 2HE LYS 27 HE1 LYS 27 -4.866 -3.859 5.603
180 1HZ LYS 27 HZ1 LYS 27 -6.250 -5.638 5.410
181 2HZ LYS 27 HZ2 LYS 27 -5.083 -6.762 5.923
182 3HZ LYS 27 HZ3 LYS 27 -5.027 -6.135 4.345
183 H CYS 28 HN CYS 28 1.604 -1.134 4.529
184 HA CYS 28 HA CYS 28 2.761 -1.877 1.911
185 1HB CYS 28 HB2 CYS 28 3.031 0.439 2.590
186 2HB CYS 28 HB1 CYS 28 3.742 -0.054 4.126
187 H MET 29 HN MET 29 3.751 -3.837 1.852
188 HA MET 29 HA MET 29 5.463 -4.585 4.184
189 1HB MET 29 HB2 MET 29 3.229 -5.939 3.535
190 2HB MET 29 HB1 MET 29 4.361 -6.733 2.440
191 1HG MET 29 HG2 MET 29 5.797 -7.376 4.250
192 2HG MET 29 HG1 MET 29 4.925 -6.348 5.388
193 1HE MET 29 HE1 MET 29 4.142 -10.445 3.816
194 2HE MET 29 HE2 MET 29 5.306 -10.119 5.097
195 3HE MET 29 HE3 MET 29 5.452 -9.288 3.550
196 H ASN 30 HN ASN 30 7.563 -4.899 3.655
197 HA ASN 30 HA ASN 30 9.489 -4.935 2.305
198 1HB ASN 30 HB2 ASN 30 7.740 -7.011 0.960
199 2HB ASN 30 HB1 ASN 30 9.469 -6.821 0.664
200 1HD2 ASN 30 HD21 ASN 30 10.123 -8.829 1.639
201 2HD2 ASN 30 HD22 ASN 30 9.957 -9.132 3.301
202 H ARG 31 HN ARG 31 8.751 -2.686 1.543
203 HA ARG 31 HA ARG 31 8.217 -1.169 -0.198
204 1HB ARG 31 HB2 ARG 31 9.777 -2.944 -2.029
205 2HB ARG 31 HB1 ARG 31 9.898 -1.201 -1.785
206 1HG ARG 31 HG2 ARG 31 11.763 -1.731 -0.589
207 2HG ARG 31 HG1 ARG 31 10.613 -2.131 0.687
208 1HD ARG 31 HD2 ARG 31 10.809 -4.411 0.342
209 2HD ARG 31 HD1 ARG 31 11.220 -4.223 -1.363
210 HE ARG 31 HE ARG 31 13.144 -3.667 0.861
211 1HH1 ARG 31 HH11 ARG 31 13.038 -3.115 -2.355
212 2HH1 ARG 31 HH12 ARG 31 14.339 -4.167 -2.803
213 1HH2 ARG 31 HH21 ARG 31 14.523 -5.697 0.306
214 2HH2 ARG 31 HH22 ARG 31 15.183 -5.628 -1.295
215 H LYS 32 HN LYS 32 6.140 -3.123 0.054
216 HA LYS 32 HA LYS 32 5.288 -3.244 -2.802
217 1HB LYS 32 HB2 LYS 32 4.937 -5.473 -0.773
218 2HB LYS 32 HB1 LYS 32 4.313 -5.474 -2.423
219 1HG LYS 32 HG2 LYS 32 7.113 -4.832 -2.481
220 2HG LYS 32 HG1 LYS 32 6.878 -6.309 -1.545
221 1HD LYS 32 HD2 LYS 32 6.028 -7.483 -3.342
222 2HD LYS 32 HD1 LYS 32 5.372 -6.036 -4.109
223 1HE LYS 32 HE2 LYS 32 8.283 -5.942 -3.885
224 2HE LYS 32 HE1 LYS 32 7.729 -7.328 -4.826
225 1HZ LYS 32 HZ1 LYS 32 7.813 -4.623 -5.579
226 2HZ LYS 32 HZ2 LYS 32 6.192 -5.131 -5.578
227 3HZ LYS 32 HZ3 LYS 32 7.345 -5.965 -6.505
228 H CYS 33 HN CYS 33 3.320 -2.282 -3.035
229 HA CYS 33 HA CYS 33 1.836 -1.431 -0.677
230 1HB CYS 33 HB2 CYS 33 1.341 -1.213 -3.651
231 2HB CYS 33 HB1 CYS 33 0.149 -0.677 -2.469
232 H LYS 34 HN LYS 34 1.299 -3.472 0.303
233 HA LYS 34 HA LYS 34 -0.417 -5.327 -1.226
234 1HB LYS 34 HB2 LYS 34 0.607 -5.391 1.630
235 2HB LYS 34 HB1 LYS 34 -0.364 -6.664 0.890
236 1HG LYS 34 HG2 LYS 34 2.077 -5.768 -0.576
237 2HG LYS 34 HG1 LYS 34 2.309 -6.755 0.867
238 1HD LYS 34 HD2 LYS 34 0.358 -7.545 -1.297
239 2HD LYS 34 HD1 LYS 34 2.057 -8.009 -1.366
240 1HE LYS 34 HE2 LYS 34 1.548 -8.756 1.156
241 2HE LYS 34 HE1 LYS 34 -0.081 -8.918 0.503
242 1HZ LYS 34 HZ1 LYS 34 2.392 -10.262 -0.417
243 2HZ LYS 34 HZ2 LYS 34 0.976 -10.216 -1.357
244 3HZ LYS 34 HZ3 LYS 34 0.967 -10.978 0.162
245 H CYS 35 HN CYS 35 -2.181 -3.772 -1.507
246 HA CYS 35 HA CYS 35 -3.674 -3.125 0.988
247 1HB CYS 35 HB2 CYS 35 -4.560 -2.144 -1.696
248 2HB CYS 35 HB1 CYS 35 -4.616 -1.333 -0.132
249 H PHE 36 HN PHE 36 -6.149 -3.292 0.691
250 HA PHE 36 HA PHE 36 -7.041 -5.379 -1.178
251 1HB PHE 36 HB2 PHE 36 -6.691 -5.860 1.766
252 2HB PHE 36 HB1 PHE 36 -8.018 -6.647 0.911
253 HD1 PHE 36 HD1 PHE 36 -4.357 -6.382 1.228
254 HD2 PHE 36 HD2 PHE 36 -7.600 -8.307 -0.830
255 HE1 PHE 36 HE1 PHE 36 -2.783 -8.078 0.335
256 HE2 PHE 36 HE2 PHE 36 -6.025 -10.004 -1.722
257 HZ PHE 36 HZ PHE 36 -3.617 -9.889 -1.141
258 H GLY 37 HN GLY 37 -7.781 -3.249 1.558
259 1HA GLY 37 HA2 GLY 37 -9.783 -2.167 2.145
260 2HA GLY 37 HA1 GLY 37 -10.000 -2.006 0.401
261 H ARG 38 HN ARG 38 -10.292 -4.543 2.915
262 HA ARG 38 HA ARG 38 -12.414 -5.858 1.351
263 1HB ARG 38 HB2 ARG 38 -11.478 -6.560 4.143
264 2HB ARG 38 HB1 ARG 38 -12.297 -7.608 2.983
265 1HG ARG 38 HG2 ARG 38 -9.776 -6.387 2.023
266 2HG ARG 38 HG1 ARG 38 -9.596 -7.565 3.324
267 1HD ARG 38 HD2 ARG 38 -11.107 -8.041 0.737
268 2HD ARG 38 HD1 ARG 38 -9.490 -8.647 1.096
269 HE ARG 38 HE ARG 38 -11.833 -9.423 2.784
270 1HH1 ARG 38 HH21 ARG 38 -11.483 -11.148 0.399
271 2HH1 ARG 38 HH22 ARG 38 -10.411 -12.381 0.974
272 1HH2 ARG 38 HH11 ARG 38 -9.386 -10.571 3.748
273 2HH2 ARG 38 HH12 ARG 38 -9.224 -12.054 2.870
Start of MODEL 7
1 1H THR 4 HT1 THR 4 6.266 -3.541 -5.773
2 2H THR 4 HT2 THR 4 7.492 -2.622 -6.509
3 3H THR 4 HT3 THR 4 6.536 -3.671 -7.442
4 HA THR 4 HA THR 4 5.426 -1.791 -7.939
5 HB THR 4 HB THR 4 4.217 -1.900 -5.205
6 HG1 THR 4 HG1 THR 4 3.958 -3.954 -7.140
7 1HG2 THR 4 HG21 THR 4 2.667 -0.799 -6.409
8 2HG2 THR 4 HG22 THR 4 2.328 -2.328 -7.220
9 3HG2 THR 4 HG23 THR 4 3.479 -1.192 -7.925
10 H ILE 5 HN ILE 5 4.290 0.063 -5.887
11 HA ILE 5 HA ILE 5 6.247 2.092 -5.987
12 HB ILE 5 HB ILE 5 4.813 2.953 -3.934
13 1HG1 ILE 5 HG12 ILE 5 2.875 1.012 -5.183
14 2HG1 ILE 5 HG11 ILE 5 3.775 0.617 -3.716
15 1HG2 ILE 5 HG21 ILE 5 3.036 3.634 -5.639
16 2HG2 ILE 5 HG22 ILE 5 3.946 2.671 -6.804
17 3HG2 ILE 5 HG23 ILE 5 4.702 4.063 -6.028
18 1HD1 ILE 5 HD11 ILE 5 1.979 3.033 -4.077
19 2HD1 ILE 5 HD12 ILE 5 2.863 2.618 -2.609
20 3HD1 ILE 5 HD13 ILE 5 1.561 1.575 -3.178
21 H SER 6 HN SER 6 7.858 2.706 -4.572
22 HA SER 6 HA SER 6 8.731 0.711 -2.614
23 1HB SER 6 HB2 SER 6 9.959 3.441 -2.918
24 2HB SER 6 HB1 SER 6 10.740 1.919 -2.500
25 HG SER 6 HG SER 6 11.215 2.032 -4.576
26 H CYS 7 HN CYS 7 7.459 0.693 -0.782
27 HA CYS 7 HA CYS 7 7.017 3.330 0.562
28 1HB CYS 7 HB2 CYS 7 4.957 2.480 1.454
29 2HB CYS 7 HB1 CYS 7 4.953 2.104 -0.269
30 H THR 8 HN THR 8 7.595 3.497 2.712
31 HA THR 8 HA THR 8 8.894 1.089 3.920
32 HB THR 8 HB THR 8 10.522 2.835 3.670
33 HG1 THR 8 HG1 THR 8 10.862 2.090 5.642
34 1HG2 THR 8 HG21 THR 8 9.295 4.780 3.218
35 2HG2 THR 8 HG22 THR 8 9.956 5.105 4.821
36 3HG2 THR 8 HG23 THR 8 8.281 4.584 4.647
37 H ASN 9 HN ASN 9 6.100 2.831 4.002
38 HA ASN 9 HA ASN 9 5.461 1.869 6.718
39 1HB ASN 9 HB2 ASN 9 5.767 4.722 5.964
40 2HB ASN 9 HB1 ASN 9 4.299 4.328 6.858
41 1HD2 ASN 9 HD21 ASN 9 6.324 5.913 8.072
42 2HD2 ASN 9 HD22 ASN 9 7.047 5.018 9.320
43 H GLU 10 HN GLU 10 3.074 1.910 7.064
44 HA GLU 10 HA GLU 10 1.647 1.066 4.729
45 1HB GLU 10 HB2 GLU 10 -0.314 0.993 6.168
46 2HB GLU 10 HB1 GLU 10 1.076 0.391 7.071
47 1HG GLU 10 HG2 GLU 10 1.364 2.603 8.121
48 2HG GLU 10 HG1 GLU 10 -0.018 3.217 7.213
49 H LYS 11 HN LYS 11 1.750 4.158 6.467
50 HA LYS 11 HA LYS 11 -0.366 5.495 5.184
51 1HB LYS 11 HB2 LYS 11 0.752 6.608 6.979
52 2HB LYS 11 HB1 LYS 11 2.314 6.496 6.168
53 1HG LYS 11 HG2 LYS 11 1.919 8.338 4.905
54 2HG LYS 11 HG1 LYS 11 0.253 7.864 4.576
55 1HD LYS 11 HD2 LYS 11 1.057 8.856 7.305
56 2HD LYS 11 HD1 LYS 11 0.657 9.991 6.016
57 1HE LYS 11 HE2 LYS 11 -1.559 9.188 5.838
58 2HE LYS 11 HE1 LYS 11 -1.182 7.702 6.711
59 1HZ LYS 11 HZ1 LYS 11 -0.568 9.971 8.291
60 2HZ LYS 11 HZ2 LYS 11 -1.636 8.691 8.624
61 3HZ LYS 11 HZ3 LYS 11 -2.178 10.052 7.764
62 H GLN 12 HN GLN 12 2.763 4.572 3.922
63 HA GLN 12 HA GLN 12 2.824 6.379 1.692
64 1HB GLN 12 HB2 GLN 12 4.243 3.915 2.511
65 2HB GLN 12 HB1 GLN 12 4.181 4.203 0.771
66 1HG GLN 12 HG2 GLN 12 6.090 5.403 1.348
67 2HG GLN 12 HG1 GLN 12 4.856 6.659 1.460
68 1HE2 GLN 12 HE21 GLN 12 4.000 7.136 3.686
69 2HE2 GLN 12 HE22 GLN 12 4.985 6.832 5.035
70 H CYS 13 HN CYS 13 1.559 3.055 2.039
71 HA CYS 13 HA CYS 13 0.532 3.133 -0.725
72 1HB CYS 13 HB2 CYS 13 -0.214 0.985 1.229
73 2HB CYS 13 HB1 CYS 13 0.100 0.859 -0.498
74 H TYR 14 HN TYR 14 -0.475 4.555 2.025
75 HA TYR 14 HA TYR 14 -3.237 3.765 2.199
76 1HB TYR 14 HB2 TYR 14 -1.523 5.878 3.322
77 2HB TYR 14 HB1 TYR 14 -3.211 6.348 3.121
78 HD1 TYR 14 HD1 TYR 14 -4.142 6.251 5.284
79 HD2 TYR 14 HD2 TYR 14 -1.748 2.985 3.849
80 HE1 TYR 14 HE1 TYR 14 -4.758 4.921 7.284
81 HE2 TYR 14 HE2 TYR 14 -2.364 1.655 5.850
82 HH TYR 14 HH TYR 14 -4.850 2.677 8.041
83 HA PRO 15 HA PRO 15 -4.100 7.601 -0.530
84 1HB PRO 15 HB2 PRO 15 -1.940 8.806 -1.728
85 2HB PRO 15 HB1 PRO 15 -2.568 9.279 -0.139
86 1HG PRO 15 HG2 PRO 15 -0.117 7.703 -0.800
87 2HG PRO 15 HG1 PRO 15 -0.436 8.747 0.594
88 1HD PRO 15 HD2 PRO 15 -0.537 5.938 0.598
89 2HD PRO 15 HD1 PRO 15 -1.229 6.995 1.848
90 H HIS 16 HN HIS 16 -1.238 5.809 -1.662
91 HA HIS 16 HA HIS 16 -2.008 5.826 -4.431
92 1HB HIS 16 HB2 HIS 16 0.216 5.327 -4.312
93 2HB HIS 16 HB1 HIS 16 0.060 4.543 -2.746
94 HD1 HIS 16 HD1 HIS 16 0.383 3.834 -6.330
95 HD2 HIS 16 HD2 HIS 16 -0.941 1.791 -2.951
96 HE1 HIS 16 HE1 HIS 16 0.342 1.380 -6.952
97 H CYS 17 HN CYS 17 -3.011 3.907 -1.704
98 HA CYS 17 HA CYS 17 -4.048 1.709 -3.343
99 1HB CYS 17 HB2 CYS 17 -4.016 2.401 -0.452
100 2HB CYS 17 HB1 CYS 17 -5.370 1.421 -1.002
101 H LYS 18 HN LYS 18 -5.620 4.202 -1.294
102 HA LYS 18 HA LYS 18 -8.261 3.765 -2.142
103 1HB LYS 18 HB2 LYS 18 -7.648 5.313 -0.316
104 2HB LYS 18 HB1 LYS 18 -6.968 6.432 -1.498
105 1HG LYS 18 HG2 LYS 18 -9.043 7.356 -1.518
106 2HG LYS 18 HG1 LYS 18 -9.472 5.979 -2.533
107 1HD LYS 18 HD2 LYS 18 -10.710 5.016 -0.898
108 2HD LYS 18 HD1 LYS 18 -9.503 5.367 0.340
109 1HE LYS 18 HE2 LYS 18 -10.824 7.023 1.094
110 2HE LYS 18 HE1 LYS 18 -10.583 7.862 -0.439
111 1HZ LYS 18 HZ1 LYS 18 -12.686 7.471 -0.948
112 2HZ LYS 18 HZ2 LYS 18 -12.920 6.678 0.536
113 3HZ LYS 18 HZ3 LYS 18 -12.434 5.798 -0.833
114 H LYS 19 HN LYS 19 -5.675 5.561 -3.751
115 HA LYS 19 HA LYS 19 -7.438 6.607 -5.825
116 1HB LYS 19 HB2 LYS 19 -5.011 7.384 -4.971
117 2HB LYS 19 HB1 LYS 19 -4.508 6.353 -6.311
118 1HG LYS 19 HG2 LYS 19 -6.197 7.610 -7.748
119 2HG LYS 19 HG1 LYS 19 -6.337 8.760 -6.417
120 1HD LYS 19 HD2 LYS 19 -3.853 9.090 -6.516
121 2HD LYS 19 HD1 LYS 19 -3.817 8.066 -7.951
122 1HE LYS 19 HE2 LYS 19 -4.620 9.714 -9.281
123 2HE LYS 19 HE1 LYS 19 -5.839 10.186 -8.098
124 1HZ LYS 19 HZ1 LYS 19 -4.480 11.703 -7.161
125 2HZ LYS 19 HZ2 LYS 19 -3.759 11.699 -8.700
126 3HZ LYS 19 HZ3 LYS 19 -3.072 10.797 -7.434
127 H GLU 20 HN GLU 20 -5.418 3.762 -5.396
128 HA GLU 20 HA GLU 20 -5.395 2.933 -8.148
129 1HB GLU 20 HB2 GLU 20 -3.982 2.086 -6.121
130 2HB GLU 20 HB1 GLU 20 -5.339 0.991 -5.851
131 1HG GLU 20 HG2 GLU 20 -4.287 1.198 -8.633
132 2HG GLU 20 HG1 GLU 20 -3.298 0.335 -7.457
133 H THR 21 HN THR 21 -7.603 2.230 -5.442
134 HA THR 21 HA THR 21 -9.589 1.301 -7.455
135 HB THR 21 HB THR 21 -8.628 -0.745 -6.579
136 HG1 THR 21 HG1 THR 21 -10.526 -1.568 -6.218
137 1HG2 THR 21 HG21 THR 21 -8.018 -1.070 -4.402
138 2HG2 THR 21 HG22 THR 21 -9.407 -0.182 -3.774
139 3HG2 THR 21 HG23 THR 21 -7.998 0.694 -4.372
140 H GLY 22 HN GLY 22 -8.937 2.450 -4.163
141 1HA GLY 22 HA2 GLY 22 -10.480 4.416 -3.580
142 2HA GLY 22 HA1 GLY 22 -11.793 3.321 -4.005
143 H TYR 23 HN TYR 23 -8.979 2.057 -2.364
144 HA TYR 23 HA TYR 23 -10.586 1.920 0.150
145 1HB TYR 23 HB2 TYR 23 -8.956 -0.204 -1.236
146 2HB TYR 23 HB1 TYR 23 -9.279 -0.293 0.495
147 HD1 TYR 23 HD1 TYR 23 -11.898 0.414 1.025
148 HD2 TYR 23 HD2 TYR 23 -10.411 -1.450 -2.547
149 HE1 TYR 23 HE1 TYR 23 -14.156 -0.497 0.560
150 HE2 TYR 23 HE2 TYR 23 -12.668 -2.361 -3.013
151 HH TYR 23 HH TYR 23 -14.729 -2.686 -2.172
152 HA PRO 24 HA PRO 24 -6.889 3.842 1.719
153 1HB PRO 24 HB2 PRO 24 -7.776 4.046 4.313
154 2HB PRO 24 HB1 PRO 24 -8.273 5.150 3.020
155 1HG PRO 24 HG2 PRO 24 -9.820 2.950 4.307
156 2HG PRO 24 HG1 PRO 24 -10.409 4.418 3.509
157 1HD PRO 24 HD2 PRO 24 -10.367 1.815 2.388
158 2HD PRO 24 HD1 PRO 24 -10.655 3.330 1.507
159 H ASN 25 HN ASN 25 -8.439 1.099 3.390
160 HA ASN 25 HA ASN 25 -6.325 0.343 5.092
161 1HB ASN 25 HB2 ASN 25 -8.507 -1.180 3.697
162 2HB ASN 25 HB1 ASN 25 -7.264 -2.063 4.583
163 1HD2 ASN 25 HD21 ASN 25 -9.935 -2.127 5.514
164 2HD2 ASN 25 HD22 ASN 25 -10.041 -1.249 6.964
165 H ALA 26 HN ALA 26 -4.233 -0.008 4.503
166 HA ALA 26 HA ALA 26 -3.687 -1.818 2.234
167 1HB ALA 26 HB1 ALA 26 -2.125 -0.270 1.165
168 2HB ALA 26 HB2 ALA 26 -2.460 0.952 2.393
169 3HB ALA 26 HB3 ALA 26 -3.721 0.474 1.255
170 H LYS 27 HN LYS 27 -1.559 -2.746 2.353
171 HA LYS 27 HA LYS 27 -0.204 -2.278 4.979
172 1HB LYS 27 HB2 LYS 27 -0.938 -4.751 3.513
173 2HB LYS 27 HB1 LYS 27 0.667 -4.745 4.245
174 1HG LYS 27 HG2 LYS 27 -1.216 -5.598 5.737
175 2HG LYS 27 HG1 LYS 27 -0.226 -4.309 6.423
176 1HD LYS 27 HD2 LYS 27 -1.889 -2.651 5.927
177 2HD LYS 27 HD1 LYS 27 -2.816 -3.787 4.946
178 1HE LYS 27 HE2 LYS 27 -3.733 -4.828 6.770
179 2HE LYS 27 HE1 LYS 27 -2.288 -4.600 7.755
180 1HZ LYS 27 HZ1 LYS 27 -3.658 -2.165 7.009
181 2HZ LYS 27 HZ2 LYS 27 -3.006 -2.633 8.507
182 3HZ LYS 27 HZ3 LYS 27 -4.542 -3.185 8.036
183 H CYS 28 HN CYS 28 1.968 -1.800 4.910
184 HA CYS 28 HA CYS 28 3.199 -1.660 2.196
185 1HB CYS 28 HB2 CYS 28 3.147 0.486 3.304
186 2HB CYS 28 HB1 CYS 28 3.827 -0.204 4.778
187 H MET 29 HN MET 29 4.919 -2.950 1.736
188 HA MET 29 HA MET 29 6.379 -4.229 4.006
189 1HB MET 29 HB2 MET 29 4.866 -5.515 1.807
190 2HB MET 29 HB1 MET 29 6.475 -6.175 2.097
191 1HG MET 29 HG2 MET 29 4.649 -5.671 4.427
192 2HG MET 29 HG1 MET 29 4.427 -7.122 3.446
193 1HE MET 29 HE1 MET 29 6.387 -7.490 6.986
194 2HE MET 29 HE2 MET 29 4.930 -6.725 6.358
195 3HE MET 29 HE3 MET 29 6.397 -5.773 6.566
196 H ASN 30 HN ASN 30 8.272 -5.619 2.584
197 HA ASN 30 HA ASN 30 10.175 -3.697 1.853
198 1HB ASN 30 HB2 ASN 30 10.087 -6.481 1.939
199 2HB ASN 30 HB1 ASN 30 10.422 -6.126 0.245
200 1HD2 ASN 30 HD21 ASN 30 12.214 -7.110 2.586
201 2HD2 ASN 30 HD22 ASN 30 13.551 -6.065 2.527
202 H ARG 31 HN ARG 31 9.304 -2.088 0.480
203 HA ARG 31 HA ARG 31 8.520 -1.148 -1.535
204 1HB ARG 31 HB2 ARG 31 10.058 -3.435 -2.790
205 2HB ARG 31 HB1 ARG 31 9.751 -1.840 -3.478
206 1HG ARG 31 HG2 ARG 31 11.001 -1.488 -0.928
207 2HG ARG 31 HG1 ARG 31 11.948 -2.655 -1.850
208 1HD ARG 31 HD2 ARG 31 10.991 -0.114 -3.150
209 2HD ARG 31 HD1 ARG 31 12.453 -0.113 -2.163
210 HE ARG 31 HE ARG 31 12.670 -2.267 -3.992
211 1HH1 ARG 31 HH11 ARG 31 13.539 0.934 -3.473
212 2HH1 ARG 31 HH12 ARG 31 14.001 1.259 -5.110
213 1HH2 ARG 31 HH21 ARG 31 12.809 -1.761 -6.326
214 2HH2 ARG 31 HH22 ARG 31 13.589 -0.267 -6.725
215 H LYS 32 HN LYS 32 6.533 -2.661 -0.447
216 HA LYS 32 HA LYS 32 5.249 -3.783 -2.865
217 1HB LYS 32 HB2 LYS 32 6.005 -5.342 -0.430
218 2HB LYS 32 HB1 LYS 32 4.453 -5.701 -1.188
219 1HG LYS 32 HG2 LYS 32 5.547 -6.097 -3.334
220 2HG LYS 32 HG1 LYS 32 7.108 -5.636 -2.652
221 1HD LYS 32 HD2 LYS 32 7.316 -7.890 -2.328
222 2HD LYS 32 HD1 LYS 32 6.372 -7.549 -0.879
223 1HE LYS 32 HE2 LYS 32 5.030 -9.192 -1.761
224 2HE LYS 32 HE1 LYS 32 4.353 -7.819 -2.636
225 1HZ LYS 32 HZ1 LYS 32 5.788 -10.057 -3.639
226 2HZ LYS 32 HZ2 LYS 32 6.547 -8.605 -4.090
227 3HZ LYS 32 HZ3 LYS 32 4.917 -8.874 -4.487
228 H CYS 33 HN CYS 33 3.530 -2.385 -2.900
229 HA CYS 33 HA CYS 33 2.079 -1.872 -0.345
230 1HB CYS 33 HB2 CYS 33 2.160 -0.452 -3.010
231 2HB CYS 33 HB1 CYS 33 0.872 -0.143 -1.847
232 H LYS 34 HN LYS 34 0.373 -3.224 -0.013
233 HA LYS 34 HA LYS 34 -1.161 -4.121 -2.420
234 1HB LYS 34 HB2 LYS 34 -0.547 -5.607 0.147
235 2HB LYS 34 HB1 LYS 34 -1.728 -6.159 -1.041
236 1HG LYS 34 HG2 LYS 34 0.196 -5.920 -2.761
237 2HG LYS 34 HG1 LYS 34 1.257 -5.889 -1.351
238 1HD LYS 34 HD2 LYS 34 1.212 -8.153 -1.511
239 2HD LYS 34 HD1 LYS 34 -0.385 -8.017 -0.775
240 1HE LYS 34 HE2 LYS 34 -1.232 -8.966 -2.635
241 2HE LYS 34 HE1 LYS 34 -0.797 -7.492 -3.502
242 1HZ LYS 34 HZ1 LYS 34 0.138 -9.599 -4.433
243 2HZ LYS 34 HZ2 LYS 34 1.103 -9.718 -3.039
244 3HZ LYS 34 HZ3 LYS 34 1.286 -8.397 -4.092
245 H CYS 35 HN CYS 35 -3.280 -3.539 -2.410
246 HA CYS 35 HA CYS 35 -4.369 -2.272 0.035
247 1HB CYS 35 HB2 CYS 35 -5.815 -2.539 -2.599
248 2HB CYS 35 HB1 CYS 35 -6.011 -1.300 -1.360
249 H PHE 36 HN PHE 36 -6.228 -3.073 1.097
250 HA PHE 36 HA PHE 36 -6.701 -5.952 0.711
251 1HB PHE 36 HB2 PHE 36 -7.180 -3.963 2.836
252 2HB PHE 36 HB1 PHE 36 -8.452 -5.175 2.671
253 HD1 PHE 36 HD1 PHE 36 -4.938 -4.577 3.541
254 HD2 PHE 36 HD2 PHE 36 -7.953 -7.576 2.930
255 HE1 PHE 36 HE1 PHE 36 -3.505 -6.252 4.679
256 HE2 PHE 36 HE2 PHE 36 -6.520 -9.249 4.067
257 HZ PHE 36 HZ PHE 36 -4.296 -8.587 4.941
258 H GLY 37 HN GLY 37 -8.888 -3.125 1.039
259 1HA GLY 37 HA2 GLY 37 -10.932 -2.685 -0.027
260 2HA GLY 37 HA1 GLY 37 -10.376 -3.735 -1.332
261 H ARG 38 HN ARG 38 -11.165 -4.307 2.111
262 HA ARG 38 HA ARG 38 -12.359 -6.878 1.512
263 1HB ARG 38 HB2 ARG 38 -11.294 -6.274 3.710
264 2HB ARG 38 HB1 ARG 38 -12.669 -5.214 4.028
265 1HG ARG 38 HG2 ARG 38 -13.396 -7.160 5.063
266 2HG ARG 38 HG1 ARG 38 -14.064 -7.389 3.447
267 1HD ARG 38 HD2 ARG 38 -12.895 -9.305 3.292
268 2HD ARG 38 HD1 ARG 38 -11.412 -8.353 3.334
269 HE ARG 38 HE ARG 38 -11.081 -9.350 5.437
270 1HH1 ARG 38 HH21 ARG 38 -13.344 -11.205 5.432
271 2HH1 ARG 38 HH22 ARG 38 -14.326 -10.647 6.745
272 1HH2 ARG 38 HH11 ARG 38 -12.808 -7.533 6.903
273 2HH2 ARG 38 HH12 ARG 38 -14.024 -8.567 7.576
Start of MODEL 8
1 1H THR 4 HT1 THR 4 7.024 -3.113 -9.480
2 2H THR 4 HT2 THR 4 5.839 -4.308 -9.244
3 3H THR 4 HT3 THR 4 6.783 -3.773 -7.936
4 HA THR 4 HA THR 4 4.876 -2.074 -9.451
5 HB THR 4 HB THR 4 4.431 -2.818 -6.603
6 HG1 THR 4 HG1 THR 4 3.468 -4.558 -8.557
7 1HG2 THR 4 HG21 THR 4 3.017 -1.626 -8.779
8 2HG2 THR 4 HG22 THR 4 2.473 -1.845 -7.115
9 3HG2 THR 4 HG23 THR 4 2.165 -3.099 -8.316
10 H ILE 5 HN ILE 5 4.301 -0.785 -6.854
11 HA ILE 5 HA ILE 5 6.289 1.277 -6.948
12 HB ILE 5 HB ILE 5 3.803 1.239 -6.039
13 1HG1 ILE 5 HG12 ILE 5 5.390 3.022 -4.338
14 2HG1 ILE 5 HG11 ILE 5 5.862 3.062 -6.039
15 1HG2 ILE 5 HG21 ILE 5 4.962 1.365 -3.348
16 2HG2 ILE 5 HG22 ILE 5 4.958 -0.252 -4.049
17 3HG2 ILE 5 HG23 ILE 5 3.448 0.643 -3.890
18 1HD1 ILE 5 HD11 ILE 5 4.037 4.696 -5.448
19 2HD1 ILE 5 HD12 ILE 5 3.000 3.318 -5.084
20 3HD1 ILE 5 HD13 ILE 5 3.598 3.561 -6.725
21 H SER 6 HN SER 6 6.641 1.668 -4.115
22 HA SER 6 HA SER 6 8.011 -0.589 -2.942
23 1HB SER 6 HB2 SER 6 10.263 0.902 -3.069
24 2HB SER 6 HB1 SER 6 9.892 -0.361 -4.238
25 HG SER 6 HG SER 6 9.883 1.168 -5.666
26 H CYS 7 HN CYS 7 6.993 -0.027 -1.020
27 HA CYS 7 HA CYS 7 7.654 2.679 0.078
28 1HB CYS 7 HB2 CYS 7 5.564 2.563 1.336
29 2HB CYS 7 HB1 CYS 7 5.226 2.301 -0.377
30 H THR 8 HN THR 8 7.263 2.511 2.633
31 HA THR 8 HA THR 8 8.576 0.032 3.647
32 HB THR 8 HB THR 8 10.232 1.207 4.783
33 HG1 THR 8 HG1 THR 8 9.842 3.644 4.927
34 1HG2 THR 8 HG21 THR 8 11.250 2.749 3.248
35 2HG2 THR 8 HG22 THR 8 9.693 3.142 2.520
36 3HG2 THR 8 HG23 THR 8 10.403 1.545 2.276
37 H ASN 9 HN ASN 9 6.966 3.077 4.598
38 HA ASN 9 HA ASN 9 5.874 1.762 7.009
39 1HB ASN 9 HB2 ASN 9 5.241 4.562 6.068
40 2HB ASN 9 HB1 ASN 9 5.218 3.927 7.714
41 1HD2 ASN 9 HD21 ASN 9 6.871 6.174 6.323
42 2HD2 ASN 9 HD22 ASN 9 8.468 5.820 6.776
43 H GLU 10 HN GLU 10 3.532 1.748 7.393
44 HA GLU 10 HA GLU 10 2.039 0.773 5.157
45 1HB GLU 10 HB2 GLU 10 1.390 0.026 7.324
46 2HB GLU 10 HB1 GLU 10 1.232 1.676 7.925
47 1HG GLU 10 HG2 GLU 10 -0.657 2.056 6.378
48 2HG GLU 10 HG1 GLU 10 -0.506 0.400 5.791
49 H LYS 11 HN LYS 11 1.979 3.939 6.810
50 HA LYS 11 HA LYS 11 -0.187 5.029 5.300
51 1HB LYS 11 HB2 LYS 11 0.927 5.957 7.429
52 2HB LYS 11 HB1 LYS 11 2.129 6.658 6.345
53 1HG LYS 11 HG2 LYS 11 0.020 7.543 5.042
54 2HG LYS 11 HG1 LYS 11 -0.796 7.289 6.585
55 1HD LYS 11 HD2 LYS 11 1.735 8.920 6.228
56 2HD LYS 11 HD1 LYS 11 0.112 9.600 6.359
57 1HE LYS 11 HE2 LYS 11 1.083 7.700 8.470
58 2HE LYS 11 HE1 LYS 11 1.612 9.381 8.513
59 1HZ LYS 11 HZ1 LYS 11 -0.303 9.615 9.654
60 2HZ LYS 11 HZ2 LYS 11 -1.035 8.251 8.955
61 3HZ LYS 11 HZ3 LYS 11 -0.979 9.720 8.103
62 H GLN 12 HN GLN 12 3.007 4.274 4.343
63 HA GLN 12 HA GLN 12 3.408 6.332 2.376
64 1HB GLN 12 HB2 GLN 12 4.510 3.535 2.690
65 2HB GLN 12 HB1 GLN 12 4.983 4.587 1.356
66 1HG GLN 12 HG2 GLN 12 5.084 6.001 3.891
67 2HG GLN 12 HG1 GLN 12 6.097 4.560 3.924
68 1HE2 GLN 12 HE21 GLN 12 7.446 6.965 3.984
69 2HE2 GLN 12 HE22 GLN 12 8.177 7.281 2.486
70 H CYS 13 HN CYS 13 1.084 3.896 2.485
71 HA CYS 13 HA CYS 13 0.691 4.153 -0.462
72 1HB CYS 13 HB2 CYS 13 1.365 1.760 0.961
73 2HB CYS 13 HB1 CYS 13 -0.282 1.605 0.348
74 H TYR 14 HN TYR 14 -0.585 5.382 1.994
75 HA TYR 14 HA TYR 14 -3.217 4.223 2.258
76 1HB TYR 14 HB2 TYR 14 -1.818 6.636 3.203
77 2HB TYR 14 HB1 TYR 14 -3.547 6.862 2.946
78 HD1 TYR 14 HD1 TYR 14 -1.967 3.632 3.850
79 HD2 TYR 14 HD2 TYR 14 -4.209 7.016 5.254
80 HE1 TYR 14 HE1 TYR 14 -2.445 2.437 5.970
81 HE2 TYR 14 HE2 TYR 14 -4.685 5.822 7.375
82 HH TYR 14 HH TYR 14 -3.493 3.901 8.710
83 HA PRO 15 HA PRO 15 -4.532 7.665 -0.796
84 1HB PRO 15 HB2 PRO 15 -2.532 9.069 -2.054
85 2HB PRO 15 HB1 PRO 15 -3.273 9.572 -0.524
86 1HG PRO 15 HG2 PRO 15 -0.600 8.328 -1.001
87 2HG PRO 15 HG1 PRO 15 -1.114 9.419 0.296
88 1HD PRO 15 HD2 PRO 15 -0.805 6.635 0.531
89 2HD PRO 15 HD1 PRO 15 -1.685 7.674 1.672
90 H HIS 16 HN HIS 16 -1.378 6.311 -1.832
91 HA HIS 16 HA HIS 16 -1.984 6.020 -4.571
92 1HB HIS 16 HB2 HIS 16 0.200 5.432 -4.342
93 2HB HIS 16 HB1 HIS 16 -0.028 4.903 -2.680
94 HD1 HIS 16 HD1 HIS 16 0.534 3.624 -6.046
95 HD2 HIS 16 HD2 HIS 16 -1.216 2.173 -2.554
96 HE1 HIS 16 HE1 HIS 16 0.391 1.110 -6.311
97 H CYS 17 HN CYS 17 -2.598 3.754 -1.875
98 HA CYS 17 HA CYS 17 -3.931 1.827 -3.596
99 1HB CYS 17 HB2 CYS 17 -3.515 2.158 -0.655
100 2HB CYS 17 HB1 CYS 17 -4.823 1.103 -1.190
101 H LYS 18 HN LYS 18 -4.918 4.687 -1.853
102 HA LYS 18 HA LYS 18 -7.709 4.123 -1.627
103 1HB LYS 18 HB2 LYS 18 -6.753 6.004 -0.436
104 2HB LYS 18 HB1 LYS 18 -6.247 6.758 -1.949
105 1HG LYS 18 HG2 LYS 18 -9.077 6.133 -2.017
106 2HG LYS 18 HG1 LYS 18 -8.695 7.137 -0.619
107 1HD LYS 18 HD2 LYS 18 -7.784 8.861 -1.962
108 2HD LYS 18 HD1 LYS 18 -7.641 7.806 -3.367
109 1HE LYS 18 HE2 LYS 18 -9.556 9.348 -3.612
110 2HE LYS 18 HE1 LYS 18 -10.098 7.672 -3.524
111 1HZ LYS 18 HZ1 LYS 18 -9.939 9.418 -1.140
112 2HZ LYS 18 HZ2 LYS 18 -10.756 7.937 -1.301
113 3HZ LYS 18 HZ3 LYS 18 -11.333 9.320 -2.101
114 H LYS 19 HN LYS 19 -5.954 5.956 -4.157
115 HA LYS 19 HA LYS 19 -8.342 6.004 -5.857
116 1HB LYS 19 HB2 LYS 19 -6.902 7.162 -7.468
117 2HB LYS 19 HB1 LYS 19 -6.691 7.867 -5.866
118 1HG LYS 19 HG2 LYS 19 -4.723 6.266 -5.570
119 2HG LYS 19 HG1 LYS 19 -4.854 5.942 -7.298
120 1HD LYS 19 HD2 LYS 19 -4.488 8.285 -7.821
121 2HD LYS 19 HD1 LYS 19 -4.518 8.710 -6.110
122 1HE LYS 19 HE2 LYS 19 -2.300 8.347 -6.030
123 2HE LYS 19 HE1 LYS 19 -2.609 6.643 -6.370
124 1HZ LYS 19 HZ1 LYS 19 -2.210 8.796 -8.376
125 2HZ LYS 19 HZ2 LYS 19 -2.614 7.189 -8.746
126 3HZ LYS 19 HZ3 LYS 19 -1.124 7.545 -8.012
127 H GLU 20 HN GLU 20 -5.739 3.845 -5.298
128 HA GLU 20 HA GLU 20 -5.563 2.691 -7.939
129 1HB GLU 20 HB2 GLU 20 -3.817 2.449 -6.156
130 2HB GLU 20 HB1 GLU 20 -4.919 1.383 -5.281
131 1HG GLU 20 HG2 GLU 20 -4.093 -0.320 -6.502
132 2HG GLU 20 HG1 GLU 20 -4.893 0.391 -7.904
133 H THR 21 HN THR 21 -7.592 2.028 -5.112
134 HA THR 21 HA THR 21 -9.233 0.269 -6.861
135 HB THR 21 HB THR 21 -7.777 -1.227 -5.555
136 HG1 THR 21 HG1 THR 21 -9.665 -2.192 -5.790
137 1HG2 THR 21 HG21 THR 21 -8.399 0.690 -3.473
138 2HG2 THR 21 HG22 THR 21 -7.146 -0.549 -3.506
139 3HG2 THR 21 HG23 THR 21 -8.768 -0.951 -2.942
140 H GLY 22 HN GLY 22 -9.205 2.978 -5.181
141 1HA GLY 22 HA2 GLY 22 -11.093 4.294 -4.569
142 2HA GLY 22 HA1 GLY 22 -12.087 2.839 -4.617
143 H TYR 23 HN TYR 23 -10.028 1.432 -2.863
144 HA TYR 23 HA TYR 23 -10.976 2.645 -0.305
145 1HB TYR 23 HB2 TYR 23 -9.906 -0.158 -0.560
146 2HB TYR 23 HB1 TYR 23 -11.038 0.493 0.626
147 HD1 TYR 23 HD1 TYR 23 -10.859 -1.600 -2.119
148 HD2 TYR 23 HD2 TYR 23 -13.182 1.690 -0.628
149 HE1 TYR 23 HE1 TYR 23 -12.764 -2.298 -3.545
150 HE2 TYR 23 HE2 TYR 23 -15.087 0.991 -2.054
151 HH TYR 23 HH TYR 23 -14.799 -1.782 -4.272
152 HA PRO 24 HA PRO 24 -6.736 3.537 0.577
153 1HB PRO 24 HB2 PRO 24 -7.094 4.217 3.213
154 2HB PRO 24 HB1 PRO 24 -7.536 5.275 1.863
155 1HG PRO 24 HG2 PRO 24 -9.306 3.685 3.656
156 2HG PRO 24 HG1 PRO 24 -9.667 5.160 2.743
157 1HD PRO 24 HD2 PRO 24 -10.412 2.516 2.018
158 2HD PRO 24 HD1 PRO 24 -10.515 3.958 0.985
159 H ASN 25 HN ASN 25 -8.606 1.405 2.707
160 HA ASN 25 HA ASN 25 -6.771 0.329 4.432
161 1HB ASN 25 HB2 ASN 25 -8.648 -1.324 2.721
162 2HB ASN 25 HB1 ASN 25 -7.968 -1.801 4.276
163 1HD2 ASN 25 HD21 ASN 25 -10.564 -0.091 2.764
164 2HD2 ASN 25 HD22 ASN 25 -11.252 0.550 4.177
165 H ALA 26 HN ALA 26 -4.631 0.336 3.662
166 HA ALA 26 HA ALA 26 -3.974 -1.926 1.856
167 1HB ALA 26 HB1 ALA 26 -3.178 0.962 1.425
168 2HB ALA 26 HB2 ALA 26 -3.990 -0.118 0.292
169 3HB ALA 26 HB3 ALA 26 -2.293 -0.379 0.698
170 H LYS 27 HN LYS 27 -2.118 -2.973 2.548
171 HA LYS 27 HA LYS 27 -0.647 -1.716 4.822
172 1HB LYS 27 HB2 LYS 27 -1.746 -4.309 4.461
173 2HB LYS 27 HB1 LYS 27 0.008 -4.492 4.440
174 1HG LYS 27 HG2 LYS 27 -0.121 -4.427 6.700
175 2HG LYS 27 HG1 LYS 27 -0.396 -2.695 6.506
176 1HD LYS 27 HD2 LYS 27 -2.654 -2.868 6.900
177 2HD LYS 27 HD1 LYS 27 -2.762 -4.475 6.183
178 1HE LYS 27 HE2 LYS 27 -2.666 -5.393 8.234
179 2HE LYS 27 HE1 LYS 27 -1.077 -4.668 8.476
180 1HZ LYS 27 HZ1 LYS 27 -1.927 -2.980 9.673
181 2HZ LYS 27 HZ2 LYS 27 -3.195 -4.073 9.958
182 3HZ LYS 27 HZ3 LYS 27 -3.350 -2.882 8.757
183 H CYS 28 HN CYS 28 1.626 -1.571 4.720
184 HA CYS 28 HA CYS 28 2.749 -1.787 1.995
185 1HB CYS 28 HB2 CYS 28 3.390 -0.296 4.455
186 2HB CYS 28 HB1 CYS 28 4.801 -0.896 3.583
187 H MET 29 HN MET 29 3.983 -3.494 1.378
188 HA MET 29 HA MET 29 4.864 -5.407 3.484
189 1HB MET 29 HB2 MET 29 4.143 -5.633 0.597
190 2HB MET 29 HB1 MET 29 5.365 -6.744 1.217
191 1HG MET 29 HG2 MET 29 3.873 -7.865 2.531
192 2HG MET 29 HG1 MET 29 2.973 -6.401 2.929
193 1HE MET 29 HE1 MET 29 2.761 -9.567 1.716
194 2HE MET 29 HE2 MET 29 1.293 -9.608 0.741
195 3HE MET 29 HE3 MET 29 1.230 -8.993 2.391
196 H ASN 30 HN ASN 30 6.962 -6.669 2.270
197 HA ASN 30 HA ASN 30 9.155 -4.919 2.743
198 1HB ASN 30 HB2 ASN 30 9.273 -7.418 2.811
199 2HB ASN 30 HB1 ASN 30 9.157 -7.438 1.052
200 1HD2 ASN 30 HD21 ASN 30 11.322 -6.926 3.740
201 2HD2 ASN 30 HD22 ASN 30 12.701 -6.561 2.821
202 H ARG 31 HN ARG 31 9.115 -3.035 1.511
203 HA ARG 31 HA ARG 31 9.340 -1.676 -0.388
204 1HB ARG 31 HB2 ARG 31 10.743 -4.211 -1.254
205 2HB ARG 31 HB1 ARG 31 10.698 -2.765 -2.262
206 1HG ARG 31 HG2 ARG 31 11.566 -1.518 -0.165
207 2HG ARG 31 HG1 ARG 31 11.975 -3.121 0.447
208 1HD ARG 31 HD2 ARG 31 13.607 -3.471 -1.158
209 2HD ARG 31 HD1 ARG 31 12.823 -2.417 -2.335
210 HE ARG 31 HE ARG 31 13.743 -0.893 -0.067
211 1HH1 ARG 31 HH11 ARG 31 15.703 -2.990 -1.627
212 2HH1 ARG 31 HH12 ARG 31 16.682 -1.813 -2.437
213 1HH2 ARG 31 HH21 ARG 31 14.595 0.845 -1.665
214 2HH2 ARG 31 HH22 ARG 31 16.056 0.358 -2.459
215 H LYS 32 HN LYS 32 6.854 -3.153 -0.120
216 HA LYS 32 HA LYS 32 6.049 -3.087 -2.973
217 1HB LYS 32 HB2 LYS 32 5.783 -5.459 -1.129
218 2HB LYS 32 HB1 LYS 32 4.649 -5.215 -2.459
219 1HG LYS 32 HG2 LYS 32 7.663 -5.282 -2.792
220 2HG LYS 32 HG1 LYS 32 6.605 -6.667 -3.073
221 1HD LYS 32 HD2 LYS 32 5.303 -5.090 -4.662
222 2HD LYS 32 HD1 LYS 32 6.742 -4.070 -4.599
223 1HE LYS 32 HE2 LYS 32 6.959 -7.013 -5.214
224 2HE LYS 32 HE1 LYS 32 6.597 -5.846 -6.486
225 1HZ LYS 32 HZ1 LYS 32 8.639 -4.640 -5.308
226 2HZ LYS 32 HZ2 LYS 32 8.830 -5.742 -6.587
227 3HZ LYS 32 HZ3 LYS 32 9.052 -6.252 -4.981
228 H CYS 33 HN CYS 33 3.499 -3.387 -3.005
229 HA CYS 33 HA CYS 33 2.300 -2.182 -0.565
230 1HB CYS 33 HB2 CYS 33 2.564 -0.920 -3.235
231 2HB CYS 33 HB1 CYS 33 0.971 -0.799 -2.488
232 H LYS 34 HN LYS 34 0.348 -3.082 -0.110
233 HA LYS 34 HA LYS 34 -1.113 -4.479 -2.304
234 1HB LYS 34 HB2 LYS 34 0.311 -5.882 -0.469
235 2HB LYS 34 HB1 LYS 34 -1.218 -5.714 0.395
236 1HG LYS 34 HG2 LYS 34 -1.057 -6.670 -2.471
237 2HG LYS 34 HG1 LYS 34 -1.024 -7.771 -1.093
238 1HD LYS 34 HD2 LYS 34 -3.180 -6.556 -0.328
239 2HD LYS 34 HD1 LYS 34 -3.255 -5.947 -1.983
240 1HE LYS 34 HE2 LYS 34 -2.903 -8.888 -1.413
241 2HE LYS 34 HE1 LYS 34 -4.505 -8.150 -1.472
242 1HZ LYS 34 HZ1 LYS 34 -3.430 -7.171 -3.693
243 2HZ LYS 34 HZ2 LYS 34 -4.311 -8.623 -3.647
244 3HZ LYS 34 HZ3 LYS 34 -2.613 -8.655 -3.616
245 H CYS 35 HN CYS 35 -3.076 -3.482 -2.419
246 HA CYS 35 HA CYS 35 -4.147 -2.134 -0.017
247 1HB CYS 35 HB2 CYS 35 -5.712 -2.245 -2.558
248 2HB CYS 35 HB1 CYS 35 -5.486 -0.904 -1.437
249 H PHE 36 HN PHE 36 -6.758 -2.427 0.026
250 HA PHE 36 HA PHE 36 -7.485 -5.265 -0.387
251 1HB PHE 36 HB2 PHE 36 -7.037 -3.967 2.266
252 2HB PHE 36 HB1 PHE 36 -8.406 -5.068 2.116
253 HD1 PHE 36 HD1 PHE 36 -4.729 -4.766 1.920
254 HD2 PHE 36 HD2 PHE 36 -8.084 -7.440 1.716
255 HE1 PHE 36 HE1 PHE 36 -3.193 -6.707 2.090
256 HE2 PHE 36 HE2 PHE 36 -6.549 -9.380 1.885
257 HZ PHE 36 HZ PHE 36 -4.104 -9.014 2.072
258 H GLY 37 HN GLY 37 -8.948 -2.879 1.782
259 1HA GLY 37 HA2 GLY 37 -10.917 -1.589 1.492
260 2HA GLY 37 HA1 GLY 37 -10.976 -2.122 -0.189
261 H ARG 38 HN ARG 38 -10.543 -4.744 1.891
262 HA ARG 38 HA ARG 38 -13.413 -5.166 2.411
263 1HB ARG 38 HB2 ARG 38 -12.256 -6.129 0.025
264 2HB ARG 38 HB1 ARG 38 -12.385 -7.529 1.090
265 1HG ARG 38 HG2 ARG 38 -14.752 -5.767 1.104
266 2HG ARG 38 HG1 ARG 38 -14.444 -6.566 -0.438
267 1HD ARG 38 HD2 ARG 38 -15.166 -8.534 0.376
268 2HD ARG 38 HD1 ARG 38 -14.049 -8.428 1.736
269 HE ARG 38 HE ARG 38 -16.519 -6.822 1.947
270 1HH1 ARG 38 HH11 ARG 38 -17.171 -9.764 1.990
271 2HH1 ARG 38 HH12 ARG 38 -17.066 -10.122 3.681
272 1HH2 ARG 38 HH21 ARG 38 -15.324 -7.227 4.456
273 2HH2 ARG 38 HH22 ARG 38 -16.023 -8.685 5.078
Start of MODEL 9
1 1H THR 4 HT1 THR 4 5.705 -4.710 -6.502
2 2H THR 4 HT2 THR 4 7.138 -3.824 -6.724
3 3H THR 4 HT3 THR 4 6.619 -4.918 -7.916
4 HA THR 4 HA THR 4 5.794 -3.097 -8.901
5 HB THR 4 HB THR 4 3.783 -3.562 -6.686
6 HG1 THR 4 HG1 THR 4 2.779 -4.786 -8.330
7 1HG2 THR 4 HG21 THR 4 3.824 -1.354 -8.239
8 2HG2 THR 4 HG22 THR 4 2.326 -2.128 -7.722
9 3HG2 THR 4 HG23 THR 4 2.982 -2.457 -9.325
10 H ILE 5 HN ILE 5 4.348 -1.958 -5.961
11 HA ILE 5 HA ILE 5 5.599 0.636 -6.274
12 HB ILE 5 HB ILE 5 4.046 -0.305 -3.892
13 1HG1 ILE 5 HG12 ILE 5 2.866 -0.875 -6.058
14 2HG1 ILE 5 HG11 ILE 5 1.995 0.269 -5.037
15 1HG2 ILE 5 HG21 ILE 5 4.850 1.841 -3.473
16 2HG2 ILE 5 HG22 ILE 5 3.272 2.173 -4.186
17 3HG2 ILE 5 HG23 ILE 5 4.730 2.315 -5.168
18 1HD1 ILE 5 HD11 ILE 5 3.898 1.252 -7.153
19 2HD1 ILE 5 HD12 ILE 5 2.548 2.102 -6.400
20 3HD1 ILE 5 HD13 ILE 5 2.240 0.819 -7.569
21 H SER 6 HN SER 6 6.673 1.678 -4.312
22 HA SER 6 HA SER 6 8.247 -0.268 -2.701
23 1HB SER 6 HB2 SER 6 9.907 1.972 -3.450
24 2HB SER 6 HB1 SER 6 10.203 0.252 -3.693
25 HG SER 6 HG SER 6 9.966 1.704 -5.617
26 H CYS 7 HN CYS 7 7.720 0.308 -0.635
27 HA CYS 7 HA CYS 7 7.901 3.189 0.080
28 1HB CYS 7 HB2 CYS 7 5.795 2.765 1.528
29 2HB CYS 7 HB1 CYS 7 5.566 3.016 -0.203
30 H THR 8 HN THR 8 7.495 3.283 2.629
31 HA THR 8 HA THR 8 8.779 0.949 3.951
32 HB THR 8 HB THR 8 10.622 2.477 3.470
33 HG1 THR 8 HG1 THR 8 10.903 1.628 5.436
34 1HG2 THR 8 HG21 THR 8 8.623 4.482 4.391
35 2HG2 THR 8 HG22 THR 8 9.839 4.607 3.119
36 3HG2 THR 8 HG23 THR 8 10.309 4.786 4.809
37 H ASN 9 HN ASN 9 6.109 2.578 3.818
38 HA ASN 9 HA ASN 9 5.617 2.406 6.727
39 1HB ASN 9 HB2 ASN 9 5.033 4.925 5.138
40 2HB ASN 9 HB1 ASN 9 4.628 4.651 6.833
41 1HD2 ASN 9 HD21 ASN 9 6.839 6.266 5.025
42 2HD2 ASN 9 HD22 ASN 9 8.194 6.167 6.043
43 H GLU 10 HN GLU 10 3.291 2.372 7.202
44 HA GLU 10 HA GLU 10 1.793 0.904 5.228
45 1HB GLU 10 HB2 GLU 10 1.618 0.997 7.875
46 2HB GLU 10 HB1 GLU 10 0.428 2.251 7.525
47 1HG GLU 10 HG2 GLU 10 -0.505 0.499 5.805
48 2HG GLU 10 HG1 GLU 10 0.368 -0.663 6.804
49 H LYS 11 HN LYS 11 1.777 4.293 6.269
50 HA LYS 11 HA LYS 11 -0.603 5.006 4.800
51 1HB LYS 11 HB2 LYS 11 0.431 6.340 6.690
52 2HB LYS 11 HB1 LYS 11 1.676 6.851 5.549
53 1HG LYS 11 HG2 LYS 11 0.186 8.096 4.267
54 2HG LYS 11 HG1 LYS 11 -1.209 7.147 4.782
55 1HD LYS 11 HD2 LYS 11 -0.875 8.114 7.105
56 2HD LYS 11 HD1 LYS 11 0.306 9.215 6.393
57 1HE LYS 11 HE2 LYS 11 -1.372 10.148 4.911
58 2HE LYS 11 HE1 LYS 11 -2.558 8.955 5.438
59 1HZ LYS 11 HZ1 LYS 11 -2.992 10.093 7.292
60 2HZ LYS 11 HZ2 LYS 11 -2.256 11.408 6.507
61 3HZ LYS 11 HZ3 LYS 11 -1.361 10.451 7.588
62 H GLN 12 HN GLN 12 2.519 4.187 3.760
63 HA GLN 12 HA GLN 12 2.720 5.975 1.495
64 1HB GLN 12 HB2 GLN 12 4.055 3.399 2.291
65 2HB GLN 12 HB1 GLN 12 4.290 4.052 0.669
66 1HG GLN 12 HG2 GLN 12 4.561 6.177 2.587
67 2HG GLN 12 HG1 GLN 12 5.612 4.839 3.052
68 1HE2 GLN 12 HE21 GLN 12 6.799 7.220 2.121
69 2HE2 GLN 12 HE22 GLN 12 7.471 6.952 0.585
70 H CYS 13 HN CYS 13 0.799 3.222 2.158
71 HA CYS 13 HA CYS 13 0.192 2.928 -0.758
72 1HB CYS 13 HB2 CYS 13 -0.454 0.876 1.363
73 2HB CYS 13 HB1 CYS 13 -0.360 0.651 -0.383
74 H TYR 14 HN TYR 14 -0.920 4.483 1.854
75 HA TYR 14 HA TYR 14 -3.711 3.662 1.845
76 1HB TYR 14 HB2 TYR 14 -2.053 5.641 3.259
77 2HB TYR 14 HB1 TYR 14 -3.706 6.175 2.952
78 HD1 TYR 14 HD1 TYR 14 -2.533 2.677 3.449
79 HD2 TYR 14 HD2 TYR 14 -4.672 6.004 5.124
80 HE1 TYR 14 HE1 TYR 14 -3.340 1.229 5.294
81 HE2 TYR 14 HE2 TYR 14 -5.480 4.556 6.969
82 HH TYR 14 HH TYR 14 -5.126 2.556 8.023
83 HA PRO 15 HA PRO 15 -4.283 7.653 -0.710
84 1HB PRO 15 HB2 PRO 15 -2.018 8.983 -1.524
85 2HB PRO 15 HB1 PRO 15 -2.863 9.326 -0.004
86 1HG PRO 15 HG2 PRO 15 -0.295 7.871 -0.437
87 2HG PRO 15 HG1 PRO 15 -0.847 8.776 0.982
88 1HD PRO 15 HD2 PRO 15 -0.848 5.963 0.717
89 2HD PRO 15 HD1 PRO 15 -1.708 6.893 1.961
90 H HIS 16 HN HIS 16 -1.657 5.474 -1.445
91 HA HIS 16 HA HIS 16 -1.752 5.902 -4.325
92 1HB HIS 16 HB2 HIS 16 0.250 4.885 -4.123
93 2HB HIS 16 HB1 HIS 16 -0.095 4.481 -2.447
94 HD1 HIS 16 HD1 HIS 16 0.033 3.031 -5.869
95 HD2 HIS 16 HD2 HIS 16 -1.262 1.848 -2.087
96 HE1 HIS 16 HE1 HIS 16 -0.322 0.525 -5.983
97 H CYS 17 HN CYS 17 -2.887 3.305 -2.139
98 HA CYS 17 HA CYS 17 -4.286 1.951 -4.309
99 1HB CYS 17 HB2 CYS 17 -3.857 1.519 -1.408
100 2HB CYS 17 HB1 CYS 17 -5.357 0.866 -2.066
101 H LYS 18 HN LYS 18 -5.147 4.255 -1.775
102 HA LYS 18 HA LYS 18 -7.976 3.995 -1.933
103 1HB LYS 18 HB2 LYS 18 -6.730 5.356 -0.224
104 2HB LYS 18 HB1 LYS 18 -6.433 6.564 -1.474
105 1HG LYS 18 HG2 LYS 18 -9.245 5.637 -1.046
106 2HG LYS 18 HG1 LYS 18 -8.546 6.746 0.133
107 1HD LYS 18 HD2 LYS 18 -7.861 7.681 -2.483
108 2HD LYS 18 HD1 LYS 18 -9.597 7.364 -2.446
109 1HE LYS 18 HE2 LYS 18 -9.029 9.682 -1.714
110 2HE LYS 18 HE1 LYS 18 -9.850 8.756 -0.458
111 1HZ LYS 18 HZ1 LYS 18 -7.224 9.867 -0.462
112 2HZ LYS 18 HZ2 LYS 18 -7.194 8.205 -0.107
113 3HZ LYS 18 HZ3 LYS 18 -8.134 9.262 0.834
114 H LYS 19 HN LYS 19 -5.728 6.028 -3.805
115 HA LYS 19 HA LYS 19 -7.887 7.079 -5.474
116 1HB LYS 19 HB2 LYS 19 -5.978 8.508 -5.105
117 2HB LYS 19 HB1 LYS 19 -4.869 7.255 -5.662
118 1HG LYS 19 HG2 LYS 19 -5.137 7.894 -7.802
119 2HG LYS 19 HG1 LYS 19 -6.890 7.749 -7.668
120 1HD LYS 19 HD2 LYS 19 -6.518 10.036 -8.181
121 2HD LYS 19 HD1 LYS 19 -6.809 10.011 -6.440
122 1HE LYS 19 HE2 LYS 19 -4.185 9.698 -6.327
123 2HE LYS 19 HE1 LYS 19 -4.242 10.440 -7.925
124 1HZ LYS 19 HZ1 LYS 19 -5.068 12.390 -7.095
125 2HZ LYS 19 HZ2 LYS 19 -4.079 11.906 -5.801
126 3HZ LYS 19 HZ3 LYS 19 -5.758 11.661 -5.728
127 H GLU 20 HN GLU 20 -5.725 4.351 -5.533
128 HA GLU 20 HA GLU 20 -5.771 3.828 -8.351
129 1HB GLU 20 HB2 GLU 20 -4.691 2.598 -6.048
130 2HB GLU 20 HB1 GLU 20 -5.726 1.386 -6.806
131 1HG GLU 20 HG2 GLU 20 -4.577 2.116 -9.023
132 2HG GLU 20 HG1 GLU 20 -3.348 2.821 -7.974
133 H THR 21 HN THR 21 -7.741 2.397 -5.714
134 HA THR 21 HA THR 21 -9.843 1.880 -7.778
135 HB THR 21 HB THR 21 -9.005 -0.272 -7.226
136 HG1 THR 21 HG1 THR 21 -11.297 -0.020 -7.000
137 1HG2 THR 21 HG21 THR 21 -9.175 -0.597 -4.471
138 2HG2 THR 21 HG22 THR 21 -8.482 1.013 -4.658
139 3HG2 THR 21 HG23 THR 21 -7.690 -0.376 -5.397
140 H GLY 22 HN GLY 22 -9.113 2.755 -4.430
141 1HA GLY 22 HA2 GLY 22 -10.674 4.624 -3.634
142 2HA GLY 22 HA1 GLY 22 -11.982 3.543 -4.112
143 H TYR 23 HN TYR 23 -8.980 2.539 -2.523
144 HA TYR 23 HA TYR 23 -10.486 2.098 -0.001
145 1HB TYR 23 HB2 TYR 23 -9.425 0.018 -1.823
146 2HB TYR 23 HB1 TYR 23 -9.070 -0.213 -0.111
147 HD1 TYR 23 HD1 TYR 23 -10.828 -0.650 1.497
148 HD2 TYR 23 HD2 TYR 23 -11.759 0.126 -2.623
149 HE1 TYR 23 HE1 TYR 23 -13.148 -1.441 1.873
150 HE2 TYR 23 HE2 TYR 23 -14.079 -0.664 -2.247
151 HH TYR 23 HH TYR 23 -15.112 -1.877 0.944
152 HA PRO 24 HA PRO 24 -6.446 3.670 1.190
153 1HB PRO 24 HB2 PRO 24 -7.236 4.393 3.723
154 2HB PRO 24 HB1 PRO 24 -7.522 5.390 2.287
155 1HG PRO 24 HG2 PRO 24 -9.457 3.739 3.840
156 2HG PRO 24 HG1 PRO 24 -9.754 5.171 2.840
157 1HD PRO 24 HD2 PRO 24 -10.244 2.482 2.087
158 2HD PRO 24 HD1 PRO 24 -10.243 3.890 1.004
159 H ASN 25 HN ASN 25 -8.203 0.986 2.255
160 HA ASN 25 HA ASN 25 -6.572 0.231 4.536
161 1HB ASN 25 HB2 ASN 25 -8.910 -0.753 3.208
162 2HB ASN 25 HB1 ASN 25 -7.740 -2.069 3.311
163 1HD2 ASN 25 HD21 ASN 25 -6.456 -1.526 5.744
164 2HD2 ASN 25 HD22 ASN 25 -7.579 -1.601 7.014
165 H ALA 26 HN ALA 26 -4.383 0.183 3.959
166 HA ALA 26 HA ALA 26 -3.587 -2.081 2.236
167 1HB ALA 26 HB1 ALA 26 -3.706 -0.210 0.656
168 2HB ALA 26 HB2 ALA 26 -2.022 -0.660 0.928
169 3HB ALA 26 HB3 ALA 26 -2.692 0.769 1.715
170 H LYS 27 HN LYS 27 -1.217 -2.527 2.463
171 HA LYS 27 HA LYS 27 0.011 -1.265 4.863
172 1HB LYS 27 HB2 LYS 27 0.757 -3.711 5.438
173 2HB LYS 27 HB1 LYS 27 -0.859 -3.175 5.904
174 1HG LYS 27 HG2 LYS 27 -1.848 -4.660 4.520
175 2HG LYS 27 HG1 LYS 27 -0.794 -4.213 3.178
176 1HD LYS 27 HD2 LYS 27 0.845 -5.774 3.771
177 2HD LYS 27 HD1 LYS 27 0.281 -5.876 5.440
178 1HE LYS 27 HE2 LYS 27 -1.705 -6.670 3.396
179 2HE LYS 27 HE1 LYS 27 -0.304 -7.732 3.531
180 1HZ LYS 27 HZ1 LYS 27 -1.152 -7.045 6.109
181 2HZ LYS 27 HZ2 LYS 27 -1.156 -8.576 5.371
182 3HZ LYS 27 HZ3 LYS 27 -2.512 -7.560 5.236
183 H CYS 28 HN CYS 28 2.184 -0.909 4.572
184 HA CYS 28 HA CYS 28 3.374 -1.807 2.019
185 1HB CYS 28 HB2 CYS 28 3.605 0.567 2.789
186 2HB CYS 28 HB1 CYS 28 4.552 -0.010 4.161
187 H MET 29 HN MET 29 4.463 -3.707 2.002
188 HA MET 29 HA MET 29 6.112 -4.406 4.386
189 1HB MET 29 HB2 MET 29 5.422 -6.819 3.981
190 2HB MET 29 HB1 MET 29 4.151 -5.777 4.623
191 1HG MET 29 HG2 MET 29 2.914 -5.895 2.713
192 2HG MET 29 HG1 MET 29 4.337 -5.837 1.673
193 1HE MET 29 HE1 MET 29 2.612 -9.148 4.105
194 2HE MET 29 HE2 MET 29 1.541 -8.687 2.785
195 3HE MET 29 HE3 MET 29 2.123 -7.460 3.907
196 H ASN 30 HN ASN 30 8.168 -4.873 3.784
197 HA ASN 30 HA ASN 30 10.008 -5.246 2.375
198 1HB ASN 30 HB2 ASN 30 8.353 -7.446 2.286
199 2HB ASN 30 HB1 ASN 30 8.553 -7.060 0.576
200 1HD2 ASN 30 HD21 ASN 30 10.533 -7.639 -0.390
201 2HD2 ASN 30 HD22 ASN 30 11.883 -8.205 0.469
202 H ARG 31 HN ARG 31 8.948 -2.914 1.642
203 HA ARG 31 HA ARG 31 8.576 -1.443 -0.157
204 1HB ARG 31 HB2 ARG 31 10.586 -3.452 -1.052
205 2HB ARG 31 HB1 ARG 31 9.883 -2.420 -2.297
206 1HG ARG 31 HG2 ARG 31 10.394 -0.489 -0.586
207 2HG ARG 31 HG1 ARG 31 11.543 -1.649 0.083
208 1HD ARG 31 HD2 ARG 31 11.845 -1.725 -2.740
209 2HD ARG 31 HD1 ARG 31 11.811 -0.024 -2.273
210 HE ARG 31 HE ARG 31 13.578 -0.907 -0.478
211 1HH1 ARG 31 HH11 ARG 31 14.166 -0.026 -3.467
212 2HH1 ARG 31 HH12 ARG 31 15.385 -1.193 -3.857
213 1HH2 ARG 31 HH21 ARG 31 14.729 -3.192 -1.101
214 2HH2 ARG 31 HH22 ARG 31 15.705 -2.985 -2.516
215 H LYS 32 HN LYS 32 6.473 -3.360 0.210
216 HA LYS 32 HA LYS 32 5.523 -3.526 -2.609
217 1HB LYS 32 HB2 LYS 32 6.219 -5.764 -0.972
218 2HB LYS 32 HB1 LYS 32 4.466 -5.757 -1.172
219 1HG LYS 32 HG2 LYS 32 5.176 -6.934 -3.070
220 2HG LYS 32 HG1 LYS 32 5.011 -5.289 -3.688
221 1HD LYS 32 HD2 LYS 32 7.134 -5.968 -4.468
222 2HD LYS 32 HD1 LYS 32 7.502 -5.013 -3.032
223 1HE LYS 32 HE2 LYS 32 8.394 -6.794 -1.976
224 2HE LYS 32 HE1 LYS 32 6.993 -7.797 -2.354
225 1HZ LYS 32 HZ1 LYS 32 8.739 -7.192 -4.586
226 2HZ LYS 32 HZ2 LYS 32 7.976 -8.650 -4.164
227 3HZ LYS 32 HZ3 LYS 32 9.417 -8.185 -3.390
228 H CYS 33 HN CYS 33 3.747 -2.235 -2.624
229 HA CYS 33 HA CYS 33 2.216 -1.714 -0.200
230 1HB CYS 33 HB2 CYS 33 2.084 -0.830 -3.060
231 2HB CYS 33 HB1 CYS 33 0.661 -0.610 -2.041
232 H LYS 34 HN LYS 34 1.418 -3.819 0.379
233 HA LYS 34 HA LYS 34 -0.351 -5.197 -1.547
234 1HB LYS 34 HB2 LYS 34 1.210 -5.985 0.711
235 2HB LYS 34 HB1 LYS 34 -0.477 -6.351 1.070
236 1HG LYS 34 HG2 LYS 34 -0.213 -8.206 -0.191
237 2HG LYS 34 HG1 LYS 34 -0.182 -7.128 -1.588
238 1HD LYS 34 HD2 LYS 34 2.396 -6.931 -0.587
239 2HD LYS 34 HD1 LYS 34 2.005 -8.636 -0.357
240 1HE LYS 34 HE2 LYS 34 1.024 -8.274 -2.854
241 2HE LYS 34 HE1 LYS 34 2.334 -7.093 -2.872
242 1HZ LYS 34 HZ1 LYS 34 2.473 -10.011 -2.499
243 2HZ LYS 34 HZ2 LYS 34 3.697 -9.016 -1.867
244 3HZ LYS 34 HZ3 LYS 34 3.378 -9.020 -3.535
245 H CYS 35 HN CYS 35 -2.341 -4.245 -1.727
246 HA CYS 35 HA CYS 35 -3.620 -3.195 0.750
247 1HB CYS 35 HB2 CYS 35 -4.564 -2.814 -2.097
248 2HB CYS 35 HB1 CYS 35 -5.028 -1.883 -0.673
249 H PHE 36 HN PHE 36 -6.119 -3.496 0.687
250 HA PHE 36 HA PHE 36 -6.981 -6.037 -0.536
251 1HB PHE 36 HB2 PHE 36 -6.663 -5.619 2.437
252 2HB PHE 36 HB1 PHE 36 -7.829 -6.776 1.794
253 HD1 PHE 36 HD1 PHE 36 -4.830 -6.813 3.271
254 HD2 PHE 36 HD2 PHE 36 -6.525 -7.928 -0.515
255 HE1 PHE 36 HE1 PHE 36 -3.011 -8.467 2.943
256 HE2 PHE 36 HE2 PHE 36 -4.707 -9.582 -0.843
257 HZ PHE 36 HZ PHE 36 -2.950 -9.851 0.885
258 H GLY 37 HN GLY 37 -8.012 -3.759 -1.352
259 1HA GLY 37 HA2 GLY 37 -10.534 -3.385 0.214
260 2HA GLY 37 HA1 GLY 37 -9.793 -2.109 -0.752
261 H ARG 38 HN ARG 38 -10.689 -5.530 -1.347
262 HA ARG 38 HA ARG 38 -12.661 -4.794 -3.343
263 1HB ARG 38 HB2 ARG 38 -11.381 -5.889 -5.253
264 2HB ARG 38 HB1 ARG 38 -10.772 -4.313 -4.746
265 1HG ARG 38 HG2 ARG 38 -8.761 -5.325 -4.537
266 2HG ARG 38 HG1 ARG 38 -9.420 -6.074 -3.083
267 1HD ARG 38 HD2 ARG 38 -10.055 -8.046 -4.266
268 2HD ARG 38 HD1 ARG 38 -9.804 -7.273 -5.832
269 HE ARG 38 HE ARG 38 -7.686 -8.327 -4.063
270 1HH1 ARG 38 HH11 ARG 38 -8.408 -6.001 -6.467
271 2HH1 ARG 38 HH12 ARG 38 -6.967 -6.287 -7.383
272 1HH2 ARG 38 HH21 ARG 38 -5.908 -8.925 -5.394
273 2HH2 ARG 38 HH22 ARG 38 -5.553 -7.945 -6.778
Start of MODEL 10
1 1H THR 4 HT1 THR 4 3.422 -4.398 -6.507
2 2H THR 4 HT2 THR 4 4.807 -3.563 -5.987
3 3H THR 4 HT3 THR 4 4.533 -3.810 -7.646
4 HA THR 4 HA THR 4 2.784 -2.289 -7.728
5 HB THR 4 HB THR 4 2.837 -1.807 -4.775
6 HG1 THR 4 HG1 THR 4 1.309 -3.863 -5.976
7 1HG2 THR 4 HG21 THR 4 1.130 -1.277 -7.097
8 2HG2 THR 4 HG22 THR 4 1.220 -0.431 -5.553
9 3HG2 THR 4 HG23 THR 4 0.235 -1.885 -5.704
10 H ILE 5 HN ILE 5 3.034 -0.030 -5.727
11 HA ILE 5 HA ILE 5 5.184 1.357 -6.991
12 HB ILE 5 HB ILE 5 4.705 3.052 -5.223
13 1HG1 ILE 5 HG12 ILE 5 2.355 1.998 -4.095
14 2HG1 ILE 5 HG11 ILE 5 3.562 0.719 -3.955
15 1HG2 ILE 5 HG21 ILE 5 2.182 1.900 -6.419
16 2HG2 ILE 5 HG22 ILE 5 3.363 2.820 -7.352
17 3HG2 ILE 5 HG23 ILE 5 2.499 3.589 -6.020
18 1HD1 ILE 5 HD11 ILE 5 4.676 1.839 -2.344
19 2HD1 ILE 5 HD12 ILE 5 3.310 2.953 -2.285
20 3HD1 ILE 5 HD13 ILE 5 4.701 3.316 -3.306
21 H SER 6 HN SER 6 6.595 2.628 -5.025
22 HA SER 6 HA SER 6 7.987 0.400 -3.588
23 1HB SER 6 HB2 SER 6 9.360 2.905 -4.562
24 2HB SER 6 HB1 SER 6 10.090 1.377 -4.073
25 HG SER 6 HG SER 6 8.803 2.094 -6.450
26 H CYS 7 HN CYS 7 6.852 0.833 -1.629
27 HA CYS 7 HA CYS 7 7.395 3.523 -0.435
28 1HB CYS 7 HB2 CYS 7 5.416 3.099 0.988
29 2HB CYS 7 HB1 CYS 7 4.996 3.052 -0.724
30 H THR 8 HN THR 8 7.026 3.091 2.177
31 HA THR 8 HA THR 8 8.647 0.722 2.955
32 HB THR 8 HB THR 8 10.060 2.151 4.410
33 HG1 THR 8 HG1 THR 8 9.733 4.250 4.521
34 1HG2 THR 8 HG21 THR 8 11.222 1.768 2.456
35 2HG2 THR 8 HG22 THR 8 11.069 3.522 2.355
36 3HG2 THR 8 HG23 THR 8 9.967 2.487 1.446
37 H ASN 9 HN ASN 9 6.836 3.573 4.117
38 HA ASN 9 HA ASN 9 6.106 2.112 6.580
39 1HB ASN 9 HB2 ASN 9 6.620 4.741 6.158
40 2HB ASN 9 HB1 ASN 9 4.864 4.740 5.981
41 1HD2 ASN 9 HD21 ASN 9 7.504 4.000 8.258
42 2HD2 ASN 9 HD22 ASN 9 6.525 3.977 9.644
43 H GLU 10 HN GLU 10 3.787 1.916 7.168
44 HA GLU 10 HA GLU 10 2.245 0.832 4.983
45 1HB GLU 10 HB2 GLU 10 0.460 0.577 6.693
46 2HB GLU 10 HB1 GLU 10 2.012 -0.037 7.263
47 1HG GLU 10 HG2 GLU 10 2.270 2.471 8.134
48 2HG GLU 10 HG1 GLU 10 0.507 2.399 8.117
49 H LYS 11 HN LYS 11 2.544 4.001 6.331
50 HA LYS 11 HA LYS 11 -0.068 4.974 5.536
51 1HB LYS 11 HB2 LYS 11 1.347 6.065 7.278
52 2HB LYS 11 HB1 LYS 11 2.480 6.543 6.014
53 1HG LYS 11 HG2 LYS 11 1.004 8.072 5.075
54 2HG LYS 11 HG1 LYS 11 -0.419 7.229 5.689
55 1HD LYS 11 HD2 LYS 11 -0.195 8.128 7.833
56 2HD LYS 11 HD1 LYS 11 1.525 8.459 7.621
57 1HE LYS 11 HE2 LYS 11 0.998 10.569 7.046
58 2HE LYS 11 HE1 LYS 11 0.188 9.934 5.613
59 1HZ LYS 11 HZ1 LYS 11 -0.944 11.038 7.975
60 2HZ LYS 11 HZ2 LYS 11 -1.545 9.475 7.692
61 3HZ LYS 11 HZ3 LYS 11 -1.689 10.672 6.496
62 H GLN 12 HN GLN 12 2.909 4.407 3.840
63 HA GLN 12 HA GLN 12 2.458 6.335 1.727
64 1HB GLN 12 HB2 GLN 12 4.350 4.146 2.282
65 2HB GLN 12 HB1 GLN 12 4.012 4.400 0.570
66 1HG GLN 12 HG2 GLN 12 5.156 6.346 0.534
67 2HG GLN 12 HG1 GLN 12 4.381 6.914 2.012
68 1HE2 GLN 12 HE21 GLN 12 7.150 5.079 0.761
69 2HE2 GLN 12 HE22 GLN 12 8.021 5.069 2.219
70 H CYS 13 HN CYS 13 1.015 3.314 2.469
71 HA CYS 13 HA CYS 13 0.201 2.872 -0.353
72 1HB CYS 13 HB2 CYS 13 -0.369 1.233 2.137
73 2HB CYS 13 HB1 CYS 13 -0.778 0.769 0.485
74 H TYR 14 HN TYR 14 -0.875 4.556 2.348
75 HA TYR 14 HA TYR 14 -3.687 4.089 2.294
76 1HB TYR 14 HB2 TYR 14 -1.862 6.117 3.395
77 2HB TYR 14 HB1 TYR 14 -3.474 6.729 3.019
78 HD1 TYR 14 HD1 TYR 14 -5.165 4.374 3.478
79 HD2 TYR 14 HD2 TYR 14 -1.818 5.842 5.735
80 HE1 TYR 14 HE1 TYR 14 -6.060 3.282 5.517
81 HE2 TYR 14 HE2 TYR 14 -2.713 4.750 7.774
82 HH TYR 14 HH TYR 14 -4.900 3.973 8.630
83 HA PRO 15 HA PRO 15 -4.016 7.775 -0.744
84 1HB PRO 15 HB2 PRO 15 -1.679 8.755 -1.801
85 2HB PRO 15 HB1 PRO 15 -2.413 9.368 -0.309
86 1HG PRO 15 HG2 PRO 15 -0.035 7.585 -0.644
87 2HG PRO 15 HG1 PRO 15 -0.392 8.748 0.644
88 1HD PRO 15 HD2 PRO 15 -0.703 5.964 0.837
89 2HD PRO 15 HD1 PRO 15 -1.441 7.159 1.926
90 H HIS 16 HN HIS 16 -1.261 5.640 -1.500
91 HA HIS 16 HA HIS 16 -1.726 5.623 -4.337
92 1HB HIS 16 HB2 HIS 16 0.383 4.832 -4.003
93 2HB HIS 16 HB1 HIS 16 0.000 4.216 -2.401
94 HD1 HIS 16 HD1 HIS 16 -0.210 3.259 -6.058
95 HD2 HIS 16 HD2 HIS 16 -0.631 1.498 -2.306
96 HE1 HIS 16 HE1 HIS 16 -0.383 0.763 -6.458
97 H CYS 17 HN CYS 17 -2.397 3.062 -1.898
98 HA CYS 17 HA CYS 17 -3.925 1.419 -3.627
99 1HB CYS 17 HB2 CYS 17 -3.845 1.784 -0.652
100 2HB CYS 17 HB1 CYS 17 -5.137 0.816 -1.354
101 H LYS 18 HN LYS 18 -4.916 4.188 -1.634
102 HA LYS 18 HA LYS 18 -7.723 3.989 -2.069
103 1HB LYS 18 HB2 LYS 18 -6.961 5.545 -0.422
104 2HB LYS 18 HB1 LYS 18 -5.889 6.345 -1.570
105 1HG LYS 18 HG2 LYS 18 -7.852 7.119 -2.860
106 2HG LYS 18 HG1 LYS 18 -8.919 6.342 -1.689
107 1HD LYS 18 HD2 LYS 18 -7.925 7.761 0.106
108 2HD LYS 18 HD1 LYS 18 -6.959 8.585 -1.118
109 1HE LYS 18 HE2 LYS 18 -9.989 8.484 -1.018
110 2HE LYS 18 HE1 LYS 18 -8.986 9.881 -0.626
111 1HZ LYS 18 HZ1 LYS 18 -9.813 10.033 -2.877
112 2HZ LYS 18 HZ2 LYS 18 -9.138 8.524 -3.264
113 3HZ LYS 18 HZ3 LYS 18 -8.128 9.839 -2.895
114 H LYS 19 HN LYS 19 -5.151 5.507 -3.991
115 HA LYS 19 HA LYS 19 -7.005 6.543 -5.987
116 1HB LYS 19 HB2 LYS 19 -4.847 7.646 -5.626
117 2HB LYS 19 HB1 LYS 19 -3.996 6.162 -6.060
118 1HG LYS 19 HG2 LYS 19 -4.264 6.529 -8.277
119 2HG LYS 19 HG1 LYS 19 -5.955 6.990 -8.080
120 1HD LYS 19 HD2 LYS 19 -4.277 9.017 -6.916
121 2HD LYS 19 HD1 LYS 19 -3.750 8.702 -8.570
122 1HE LYS 19 HE2 LYS 19 -5.855 9.243 -9.476
123 2HE LYS 19 HE1 LYS 19 -6.674 9.045 -7.927
124 1HZ LYS 19 HZ1 LYS 19 -6.410 11.376 -8.488
125 2HZ LYS 19 HZ2 LYS 19 -4.725 11.185 -8.595
126 3HZ LYS 19 HZ3 LYS 19 -5.511 10.994 -7.102
127 H GLU 20 HN GLU 20 -5.644 3.482 -5.338
128 HA GLU 20 HA GLU 20 -5.589 2.552 -8.107
129 1HB GLU 20 HB2 GLU 20 -4.235 1.629 -6.090
130 2HB GLU 20 HB1 GLU 20 -5.715 0.756 -5.690
131 1HG GLU 20 HG2 GLU 20 -4.265 -0.647 -7.088
132 2HG GLU 20 HG1 GLU 20 -5.733 -0.223 -7.970
133 H THR 21 HN THR 21 -7.552 1.469 -5.308
134 HA THR 21 HA THR 21 -9.771 0.959 -7.250
135 HB THR 21 HB THR 21 -8.899 -1.066 -6.107
136 HG1 THR 21 HG1 THR 21 -11.296 -0.431 -6.453
137 1HG2 THR 21 HG21 THR 21 -8.648 -1.226 -3.836
138 2HG2 THR 21 HG22 THR 21 -10.021 -0.171 -3.504
139 3HG2 THR 21 HG23 THR 21 -8.470 0.524 -3.972
140 H GLY 22 HN GLY 22 -8.902 2.374 -4.136
141 1HA GLY 22 HA2 GLY 22 -10.290 4.537 -3.792
142 2HA GLY 22 HA1 GLY 22 -11.678 3.454 -3.909
143 H TYR 23 HN TYR 23 -9.626 1.468 -2.508
144 HA TYR 23 HA TYR 23 -10.576 2.173 0.202
145 1HB TYR 23 HB2 TYR 23 -9.563 -0.301 -1.130
146 2HB TYR 23 HB1 TYR 23 -9.339 -0.155 0.613
147 HD1 TYR 23 HD1 TYR 23 -11.053 -0.893 1.997
148 HD2 TYR 23 HD2 TYR 23 -11.996 0.432 -1.977
149 HE1 TYR 23 HE1 TYR 23 -13.429 -1.504 2.359
150 HE2 TYR 23 HE2 TYR 23 -14.373 -0.178 -1.618
151 HH TYR 23 HH TYR 23 -15.574 -1.988 0.052
152 HA PRO 24 HA PRO 24 -6.483 3.766 1.014
153 1HB PRO 24 HB2 PRO 24 -7.054 4.622 3.564
154 2HB PRO 24 HB1 PRO 24 -7.510 5.520 2.105
155 1HG PRO 24 HG2 PRO 24 -9.231 3.913 3.933
156 2HG PRO 24 HG1 PRO 24 -9.670 5.272 2.884
157 1HD PRO 24 HD2 PRO 24 -10.135 2.527 2.342
158 2HD PRO 24 HD1 PRO 24 -10.290 3.866 1.185
159 H ASN 25 HN ASN 25 -8.239 1.402 2.912
160 HA ASN 25 HA ASN 25 -6.206 0.728 4.803
161 1HB ASN 25 HB2 ASN 25 -8.738 -0.066 4.516
162 2HB ASN 25 HB1 ASN 25 -7.963 -1.418 3.690
163 1HD2 ASN 25 HD21 ASN 25 -9.139 -2.264 5.931
164 2HD2 ASN 25 HD22 ASN 25 -8.049 -2.451 7.218
165 H ALA 26 HN ALA 26 -4.154 0.412 3.981
166 HA ALA 26 HA ALA 26 -3.833 -1.889 2.114
167 1HB ALA 26 HB1 ALA 26 -2.467 0.810 1.861
168 2HB ALA 26 HB2 ALA 26 -3.635 0.120 0.735
169 3HB ALA 26 HB3 ALA 26 -2.045 -0.620 0.919
170 H LYS 27 HN LYS 27 -1.146 -2.082 1.978
171 HA LYS 27 HA LYS 27 -0.006 -1.724 4.684
172 1HB LYS 27 HB2 LYS 27 -0.706 -4.368 3.452
173 2HB LYS 27 HB1 LYS 27 0.739 -4.249 4.455
174 1HG LYS 27 HG2 LYS 27 -0.504 -4.252 6.329
175 2HG LYS 27 HG1 LYS 27 -1.448 -2.881 5.746
176 1HD LYS 27 HD2 LYS 27 -2.868 -4.419 4.433
177 2HD LYS 27 HD1 LYS 27 -1.932 -5.788 5.031
178 1HE LYS 27 HE2 LYS 27 -3.699 -3.917 6.621
179 2HE LYS 27 HE1 LYS 27 -3.865 -5.662 6.432
180 1HZ LYS 27 HZ1 LYS 27 -1.896 -4.151 8.019
181 2HZ LYS 27 HZ2 LYS 27 -1.533 -5.721 7.479
182 3HZ LYS 27 HZ3 LYS 27 -2.873 -5.456 8.489
183 H CYS 28 HN CYS 28 2.074 -1.065 4.419
184 HA CYS 28 HA CYS 28 3.358 -1.506 1.778
185 1HB CYS 28 HB2 CYS 28 3.294 0.800 2.713
186 2HB CYS 28 HB1 CYS 28 4.236 0.243 4.096
187 H MET 29 HN MET 29 4.391 -3.463 1.745
188 HA MET 29 HA MET 29 6.232 -4.061 4.024
189 1HB MET 29 HB2 MET 29 4.030 -5.578 3.227
190 2HB MET 29 HB1 MET 29 5.404 -6.401 2.489
191 1HG MET 29 HG2 MET 29 6.424 -6.830 4.549
192 2HG MET 29 HG1 MET 29 5.562 -5.522 5.358
193 1HE MET 29 HE1 MET 29 5.040 -9.725 5.041
194 2HE MET 29 HE2 MET 29 5.199 -9.053 6.663
195 3HE MET 29 HE3 MET 29 6.325 -8.562 5.400
196 H ASN 30 HN ASN 30 8.326 -4.348 3.421
197 HA ASN 30 HA ASN 30 10.173 -4.176 1.954
198 1HB ASN 30 HB2 ASN 30 10.068 -6.196 0.288
199 2HB ASN 30 HB1 ASN 30 10.157 -6.510 2.022
200 1HD2 ASN 30 HD21 ASN 30 8.108 -6.766 -0.817
201 2HD2 ASN 30 HD22 ASN 30 6.820 -7.561 -0.050
202 H ARG 31 HN ARG 31 8.647 -2.169 1.130
203 HA ARG 31 HA ARG 31 8.103 -0.848 -0.731
204 1HB ARG 31 HB2 ARG 31 9.840 -2.852 -2.199
205 2HB ARG 31 HB1 ARG 31 9.435 -1.223 -2.741
206 1HG ARG 31 HG2 ARG 31 11.009 -0.278 -1.418
207 2HG ARG 31 HG1 ARG 31 10.561 -1.277 -0.035
208 1HD ARG 31 HD2 ARG 31 12.070 -2.461 -2.358
209 2HD ARG 31 HD1 ARG 31 12.922 -1.608 -1.072
210 HE ARG 31 HE ARG 31 11.444 -3.348 0.381
211 1HH1 ARG 31 HH11 ARG 31 11.976 -4.324 -2.741
212 2HH1 ARG 31 HH12 ARG 31 12.938 -5.710 -2.354
213 1HH2 ARG 31 HH21 ARG 31 13.242 -4.892 1.002
214 2HH2 ARG 31 HH22 ARG 31 13.651 -6.036 -0.233
215 H LYS 32 HN LYS 32 6.091 -2.637 -0.111
216 HA LYS 32 HA LYS 32 5.022 -3.224 -2.820
217 1HB LYS 32 HB2 LYS 32 5.991 -5.244 -1.121
218 2HB LYS 32 HB1 LYS 32 4.235 -5.303 -0.955
219 1HG LYS 32 HG2 LYS 32 3.983 -6.156 -3.028
220 2HG LYS 32 HG1 LYS 32 5.037 -4.928 -3.731
221 1HD LYS 32 HD2 LYS 32 7.016 -6.222 -2.936
222 2HD LYS 32 HD1 LYS 32 5.926 -7.479 -2.353
223 1HE LYS 32 HE2 LYS 32 6.481 -6.641 -5.195
224 2HE LYS 32 HE1 LYS 32 6.552 -8.255 -4.488
225 1HZ LYS 32 HZ1 LYS 32 4.095 -8.020 -4.111
226 2HZ LYS 32 HZ2 LYS 32 4.577 -8.160 -5.734
227 3HZ LYS 32 HZ3 LYS 32 4.145 -6.644 -5.102
228 H CYS 33 HN CYS 33 3.196 -1.973 -2.844
229 HA CYS 33 HA CYS 33 1.724 -1.531 -0.317
230 1HB CYS 33 HB2 CYS 33 1.760 -0.249 -3.016
231 2HB CYS 33 HB1 CYS 33 0.274 -0.137 -2.079
232 H LYS 34 HN LYS 34 0.451 -3.292 0.154
233 HA LYS 34 HA LYS 34 -1.132 -4.525 -2.040
234 1HB LYS 34 HB2 LYS 34 -0.013 -5.456 0.480
235 2HB LYS 34 HB1 LYS 34 -1.734 -5.829 0.369
236 1HG LYS 34 HG2 LYS 34 -0.658 -7.679 -0.656
237 2HG LYS 34 HG1 LYS 34 -1.216 -6.687 -2.004
238 1HD LYS 34 HD2 LYS 34 0.903 -6.552 -2.746
239 2HD LYS 34 HD1 LYS 34 1.339 -5.700 -1.264
240 1HE LYS 34 HE2 LYS 34 1.049 -8.637 -1.004
241 2HE LYS 34 HE1 LYS 34 2.413 -8.090 -1.979
242 1HZ LYS 34 HZ1 LYS 34 1.788 -7.212 0.788
243 2HZ LYS 34 HZ2 LYS 34 3.085 -6.649 -0.151
244 3HZ LYS 34 HZ3 LYS 34 3.031 -8.275 0.341
245 H CYS 35 HN CYS 35 -3.235 -3.935 -2.298
246 HA CYS 35 HA CYS 35 -4.472 -2.238 -0.204
247 1HB CYS 35 HB2 CYS 35 -5.703 -2.892 -2.874
248 2HB CYS 35 HB1 CYS 35 -5.931 -1.453 -1.877
249 H PHE 36 HN PHE 36 -6.652 -2.688 0.542
250 HA PHE 36 HA PHE 36 -7.102 -5.421 1.245
251 1HB PHE 36 HB2 PHE 36 -8.532 -2.857 1.558
252 2HB PHE 36 HB1 PHE 36 -9.580 -4.275 1.509
253 HD1 PHE 36 HD1 PHE 36 -10.209 -4.726 3.725
254 HD2 PHE 36 HD2 PHE 36 -6.098 -3.865 2.824
255 HE1 PHE 36 HE1 PHE 36 -9.581 -5.283 6.060
256 HE2 PHE 36 HE2 PHE 36 -5.470 -4.422 5.157
257 HZ PHE 36 HZ PHE 36 -7.211 -5.131 6.774
258 H GLY 37 HN GLY 37 -8.862 -3.341 -1.080
259 1HA GLY 37 HA2 GLY 37 -9.733 -4.003 -3.194
260 2HA GLY 37 HA1 GLY 37 -9.265 -5.666 -2.837
261 H ARG 38 HN ARG 38 -10.697 -5.008 -0.087
262 HA ARG 38 HA ARG 38 -13.292 -6.093 -0.995
263 1HB ARG 38 HB2 ARG 38 -12.232 -5.568 1.800
264 2HB ARG 38 HB1 ARG 38 -13.727 -6.423 1.414
265 1HG ARG 38 HG2 ARG 38 -10.929 -7.272 0.602
266 2HG ARG 38 HG1 ARG 38 -11.925 -8.033 1.843
267 1HD ARG 38 HD2 ARG 38 -12.550 -7.870 -1.120
268 2HD ARG 38 HD1 ARG 38 -12.113 -9.321 -0.216
269 HE ARG 38 HE ARG 38 -14.281 -9.117 0.978
270 1HH1 ARG 38 HH11 ARG 38 -14.074 -8.434 -2.269
271 2HH1 ARG 38 HH12 ARG 38 -15.594 -7.611 -2.390
272 1HH2 ARG 38 HH21 ARG 38 -16.116 -7.510 1.036
273 2HH2 ARG 38 HH22 ARG 38 -16.751 -7.093 -0.521
Start of MODEL 11
1 1H THR 4 HT1 THR 4 7.870 -2.601 -8.213
2 2H THR 4 HT2 THR 4 7.044 -3.846 -9.021
3 3H THR 4 HT3 THR 4 7.178 -3.870 -7.328
4 HA THR 4 HA THR 4 5.332 -2.421 -9.023
5 HB THR 4 HB THR 4 5.037 -2.863 -6.078
6 HG1 THR 4 HG1 THR 4 5.036 -4.961 -6.262
7 1HG2 THR 4 HG21 THR 4 3.382 -2.377 -8.406
8 2HG2 THR 4 HG22 THR 4 2.954 -2.285 -6.698
9 3HG2 THR 4 HG23 THR 4 2.853 -3.825 -7.551
10 H ILE 5 HN ILE 5 4.401 -0.999 -6.491
11 HA ILE 5 HA ILE 5 5.581 1.528 -7.016
12 HB ILE 5 HB ILE 5 4.455 2.165 -4.878
13 1HG1 ILE 5 HG12 ILE 5 2.934 -0.114 -4.333
14 2HG1 ILE 5 HG11 ILE 5 4.582 -0.711 -4.521
15 1HG2 ILE 5 HG21 ILE 5 2.517 0.438 -6.346
16 2HG2 ILE 5 HG22 ILE 5 3.329 1.724 -7.239
17 3HG2 ILE 5 HG23 ILE 5 2.347 2.115 -5.826
18 1HD1 ILE 5 HD11 ILE 5 3.707 1.547 -2.694
19 2HD1 ILE 5 HD12 ILE 5 5.371 1.003 -2.910
20 3HD1 ILE 5 HD13 ILE 5 4.179 -0.075 -2.184
21 H SER 6 HN SER 6 6.327 2.641 -4.628
22 HA SER 6 HA SER 6 8.420 0.928 -3.426
23 1HB SER 6 HB2 SER 6 10.119 2.774 -3.798
24 2HB SER 6 HB1 SER 6 9.653 1.895 -5.251
25 HG SER 6 HG SER 6 9.638 4.368 -5.149
26 H CYS 7 HN CYS 7 7.045 1.196 -1.542
27 HA CYS 7 HA CYS 7 7.150 3.950 -0.379
28 1HB CYS 7 HB2 CYS 7 5.194 3.192 1.011
29 2HB CYS 7 HB1 CYS 7 4.854 3.254 -0.718
30 H THR 8 HN THR 8 7.212 3.892 2.088
31 HA THR 8 HA THR 8 8.738 1.539 3.103
32 HB THR 8 HB THR 8 10.359 3.311 2.516
33 HG1 THR 8 HG1 THR 8 10.217 3.508 5.281
34 1HG2 THR 8 HG21 THR 8 9.875 5.482 2.837
35 2HG2 THR 8 HG22 THR 8 9.673 5.211 4.568
36 3HG2 THR 8 HG23 THR 8 8.303 5.002 3.477
37 H ASN 9 HN ASN 9 5.989 3.135 3.393
38 HA ASN 9 HA ASN 9 5.759 2.532 6.272
39 1HB ASN 9 HB2 ASN 9 6.412 5.091 5.630
40 2HB ASN 9 HB1 ASN 9 4.653 5.185 5.533
41 1HD2 ASN 9 HD21 ASN 9 7.367 4.820 7.727
42 2HD2 ASN 9 HD22 ASN 9 6.454 4.805 9.158
43 H GLU 10 HN GLU 10 3.536 2.263 6.911
44 HA GLU 10 HA GLU 10 1.805 1.246 4.884
45 1HB GLU 10 HB2 GLU 10 0.099 1.163 6.655
46 2HB GLU 10 HB1 GLU 10 1.650 0.591 7.271
47 1HG GLU 10 HG2 GLU 10 1.836 3.274 7.778
48 2HG GLU 10 HG1 GLU 10 0.109 3.001 8.004
49 H LYS 11 HN LYS 11 2.247 4.450 6.190
50 HA LYS 11 HA LYS 11 -0.272 5.522 5.230
51 1HB LYS 11 HB2 LYS 11 0.881 6.652 7.040
52 2HB LYS 11 HB1 LYS 11 2.329 6.847 6.053
53 1HG LYS 11 HG2 LYS 11 1.320 8.945 5.844
54 2HG LYS 11 HG1 LYS 11 0.714 8.110 4.414
55 1HD LYS 11 HD2 LYS 11 -0.958 7.608 6.749
56 2HD LYS 11 HD1 LYS 11 -0.838 9.329 6.385
57 1HE LYS 11 HE2 LYS 11 -1.158 8.243 3.880
58 2HE LYS 11 HE1 LYS 11 -2.162 7.182 4.869
59 1HZ LYS 11 HZ1 LYS 11 -3.296 9.104 5.752
60 2HZ LYS 11 HZ2 LYS 11 -3.389 9.112 4.056
61 3HZ LYS 11 HZ3 LYS 11 -2.305 10.148 4.854
62 H GLN 12 HN GLN 12 2.865 4.936 3.821
63 HA GLN 12 HA GLN 12 2.552 6.777 1.599
64 1HB GLN 12 HB2 GLN 12 4.418 4.516 2.254
65 2HB GLN 12 HB1 GLN 12 4.378 5.161 0.614
66 1HG GLN 12 HG2 GLN 12 4.461 7.212 2.738
67 2HG GLN 12 HG1 GLN 12 5.904 6.203 2.631
68 1HE2 GLN 12 HE21 GLN 12 4.853 9.096 1.555
69 2HE2 GLN 12 HE22 GLN 12 5.589 9.149 0.026
70 H CYS 13 HN CYS 13 0.828 4.057 2.343
71 HA CYS 13 HA CYS 13 0.412 3.429 -0.554
72 1HB CYS 13 HB2 CYS 13 1.296 1.658 1.312
73 2HB CYS 13 HB1 CYS 13 -0.447 1.423 1.447
74 H TYR 14 HN TYR 14 -0.939 5.055 1.934
75 HA TYR 14 HA TYR 14 -3.676 4.071 1.779
76 1HB TYR 14 HB2 TYR 14 -2.223 6.189 3.218
77 2HB TYR 14 HB1 TYR 14 -3.875 6.625 2.776
78 HD1 TYR 14 HD1 TYR 14 -2.734 3.158 3.396
79 HD2 TYR 14 HD2 TYR 14 -4.829 6.550 4.993
80 HE1 TYR 14 HE1 TYR 14 -3.611 1.751 5.242
81 HE2 TYR 14 HE2 TYR 14 -5.704 5.144 6.838
82 HH TYR 14 HH TYR 14 -5.039 3.034 8.013
83 HA PRO 15 HA PRO 15 -4.255 7.950 -0.954
84 1HB PRO 15 HB2 PRO 15 -1.986 9.276 -1.765
85 2HB PRO 15 HB1 PRO 15 -2.882 9.671 -0.288
86 1HG PRO 15 HG2 PRO 15 -0.275 8.255 -0.579
87 2HG PRO 15 HG1 PRO 15 -0.895 9.196 0.788
88 1HD PRO 15 HD2 PRO 15 -0.829 6.373 0.607
89 2HD PRO 15 HD1 PRO 15 -1.726 7.321 1.812
90 H HIS 16 HN HIS 16 -1.555 5.802 -1.568
91 HA HIS 16 HA HIS 16 -1.673 6.123 -4.469
92 1HB HIS 16 HB2 HIS 16 0.393 5.250 -4.229
93 2HB HIS 16 HB1 HIS 16 0.070 4.859 -2.546
94 HD1 HIS 16 HD1 HIS 16 0.662 3.311 -5.789
95 HD2 HIS 16 HD2 HIS 16 -1.305 2.214 -2.281
96 HE1 HIS 16 HE1 HIS 16 0.352 0.799 -5.897
97 H CYS 17 HN CYS 17 -2.680 3.574 -2.158
98 HA CYS 17 HA CYS 17 -4.002 2.061 -4.281
99 1HB CYS 17 HB2 CYS 17 -3.468 1.723 -1.400
100 2HB CYS 17 HB1 CYS 17 -5.000 1.040 -1.945
101 H LYS 18 HN LYS 18 -5.157 3.925 -1.440
102 HA LYS 18 HA LYS 18 -7.898 3.654 -1.773
103 1HB LYS 18 HB2 LYS 18 -6.874 5.004 0.031
104 2HB LYS 18 HB1 LYS 18 -6.443 6.243 -1.149
105 1HG LYS 18 HG2 LYS 18 -8.560 7.060 -1.239
106 2HG LYS 18 HG1 LYS 18 -9.277 5.448 -1.241
107 1HD LYS 18 HD2 LYS 18 -9.962 6.092 0.852
108 2HD LYS 18 HD1 LYS 18 -8.356 5.507 1.288
109 1HE LYS 18 HE2 LYS 18 -8.155 8.220 0.350
110 2HE LYS 18 HE1 LYS 18 -9.379 8.128 1.616
111 1HZ LYS 18 HZ1 LYS 18 -7.698 6.818 2.918
112 2HZ LYS 18 HZ2 LYS 18 -7.331 8.462 2.693
113 3HZ LYS 18 HZ3 LYS 18 -6.546 7.278 1.762
114 H LYS 19 HN LYS 19 -5.656 5.531 -3.721
115 HA LYS 19 HA LYS 19 -7.775 6.835 -5.256
116 1HB LYS 19 HB2 LYS 19 -5.600 7.929 -5.024
117 2HB LYS 19 HB1 LYS 19 -4.800 6.548 -5.776
118 1HG LYS 19 HG2 LYS 19 -6.952 7.430 -7.469
119 2HG LYS 19 HG1 LYS 19 -5.922 8.807 -7.073
120 1HD LYS 19 HD2 LYS 19 -4.203 6.603 -7.589
121 2HD LYS 19 HD1 LYS 19 -5.391 6.653 -8.893
122 1HE LYS 19 HE2 LYS 19 -4.844 8.920 -9.429
123 2HE LYS 19 HE1 LYS 19 -3.894 9.109 -7.954
124 1HZ LYS 19 HZ1 LYS 19 -3.171 7.893 -10.474
125 2HZ LYS 19 HZ2 LYS 19 -2.713 6.997 -9.104
126 3HZ LYS 19 HZ3 LYS 19 -2.187 8.603 -9.288
127 H GLU 20 HN GLU 20 -5.516 4.127 -5.791
128 HA GLU 20 HA GLU 20 -6.281 3.521 -8.452
129 1HB GLU 20 HB2 GLU 20 -4.601 2.393 -6.518
130 2HB GLU 20 HB1 GLU 20 -5.768 1.124 -6.891
131 1HG GLU 20 HG2 GLU 20 -4.449 2.686 -9.102
132 2HG GLU 20 HG1 GLU 20 -3.634 1.304 -8.369
133 H THR 21 HN THR 21 -8.019 3.053 -5.477
134 HA THR 21 HA THR 21 -10.261 1.920 -7.030
135 HB THR 21 HB THR 21 -9.434 -0.160 -6.385
136 HG1 THR 21 HG1 THR 21 -10.792 0.477 -4.004
137 1HG2 THR 21 HG21 THR 21 -8.778 -0.009 -3.645
138 2HG2 THR 21 HG22 THR 21 -8.055 1.413 -4.394
139 3HG2 THR 21 HG23 THR 21 -7.664 -0.196 -4.999
140 H GLY 22 HN GLY 22 -9.201 2.713 -3.688
141 1HA GLY 22 HA2 GLY 22 -10.571 4.823 -2.905
142 2HA GLY 22 HA1 GLY 22 -11.945 3.756 -3.182
143 H TYR 23 HN TYR 23 -9.690 1.647 -2.249
144 HA TYR 23 HA TYR 23 -10.614 1.739 0.564
145 1HB TYR 23 HB2 TYR 23 -9.619 -0.360 -1.290
146 2HB TYR 23 HB1 TYR 23 -9.239 -0.569 0.419
147 HD1 TYR 23 HD1 TYR 23 -12.228 0.995 -1.196
148 HD2 TYR 23 HD2 TYR 23 -10.713 -2.234 1.200
149 HE1 TYR 23 HE1 TYR 23 -14.545 0.223 -0.769
150 HE2 TYR 23 HE2 TYR 23 -13.030 -3.006 1.626
151 HH TYR 23 HH TYR 23 -15.299 -2.092 1.626
152 HA PRO 24 HA PRO 24 -6.515 3.301 1.518
153 1HB PRO 24 HB2 PRO 24 -7.093 3.838 4.153
154 2HB PRO 24 HB1 PRO 24 -7.535 4.917 2.819
155 1HG PRO 24 HG2 PRO 24 -9.275 3.100 4.419
156 2HG PRO 24 HG1 PRO 24 -9.700 4.588 3.560
157 1HD PRO 24 HD2 PRO 24 -10.199 1.953 2.655
158 2HD PRO 24 HD1 PRO 24 -10.313 3.433 1.677
159 H ASN 25 HN ASN 25 -8.284 0.676 2.928
160 HA ASN 25 HA ASN 25 -6.407 -0.237 4.866
161 1HB ASN 25 HB2 ASN 25 -8.193 -1.983 3.150
162 2HB ASN 25 HB1 ASN 25 -7.562 -2.352 4.756
163 1HD2 ASN 25 HD21 ASN 25 -10.168 -0.844 3.053
164 2HD2 ASN 25 HD22 ASN 25 -10.948 -0.175 4.403
165 H ALA 26 HN ALA 26 -4.301 -0.055 3.987
166 HA ALA 26 HA ALA 26 -3.602 -2.261 2.123
167 1HB ALA 26 HB1 ALA 26 -2.780 0.642 1.795
168 2HB ALA 26 HB2 ALA 26 -3.764 -0.308 0.680
169 3HB ALA 26 HB3 ALA 26 -2.059 -0.697 0.903
170 H LYS 27 HN LYS 27 -1.341 -2.915 2.345
171 HA LYS 27 HA LYS 27 -0.053 -1.833 4.820
172 1HB LYS 27 HB2 LYS 27 0.895 -4.324 4.856
173 2HB LYS 27 HB1 LYS 27 -0.656 -3.924 5.594
174 1HG LYS 27 HG2 LYS 27 -1.803 -4.561 3.485
175 2HG LYS 27 HG1 LYS 27 -0.245 -5.020 2.796
176 1HD LYS 27 HD2 LYS 27 -1.448 -6.222 5.307
177 2HD LYS 27 HD1 LYS 27 -1.473 -6.979 3.713
178 1HE LYS 27 HE2 LYS 27 1.182 -6.373 3.967
179 2HE LYS 27 HE1 LYS 27 0.750 -6.726 5.640
180 1HZ LYS 27 HZ1 LYS 27 0.844 -8.488 3.339
181 2HZ LYS 27 HZ2 LYS 27 -0.488 -8.712 4.371
182 3HZ LYS 27 HZ3 LYS 27 1.093 -8.832 4.982
183 H CYS 28 HN CYS 28 1.868 -0.923 4.337
184 HA CYS 28 HA CYS 28 3.279 -1.789 1.860
185 1HB CYS 28 HB2 CYS 28 2.894 0.594 1.955
186 2HB CYS 28 HB1 CYS 28 3.527 0.682 3.599
187 H MET 29 HN MET 29 4.298 -3.687 2.694
188 HA MET 29 HA MET 29 6.421 -3.114 4.722
189 1HB MET 29 HB2 MET 29 4.251 -4.957 4.917
190 2HB MET 29 HB1 MET 29 5.739 -5.891 4.759
191 1HG MET 29 HG2 MET 29 6.423 -5.323 6.831
192 2HG MET 29 HG1 MET 29 6.075 -3.616 6.552
193 1HE MET 29 HE1 MET 29 5.026 -6.966 7.108
194 2HE MET 29 HE2 MET 29 3.266 -6.918 7.063
195 3HE MET 29 HE3 MET 29 4.101 -6.879 8.614
196 H ASN 30 HN ASN 30 8.453 -3.841 4.187
197 HA ASN 30 HA ASN 30 10.175 -4.676 2.831
198 1HB ASN 30 HB2 ASN 30 8.292 -6.751 3.194
199 2HB ASN 30 HB1 ASN 30 8.723 -6.779 1.485
200 1HD2 ASN 30 HD21 ASN 30 10.222 -8.502 1.407
201 2HD2 ASN 30 HD22 ASN 30 11.633 -8.573 2.348
202 H ARG 31 HN ARG 31 9.081 -2.507 1.691
203 HA ARG 31 HA ARG 31 8.513 -1.465 -0.352
204 1HB ARG 31 HB2 ARG 31 10.680 -3.437 -0.829
205 2HB ARG 31 HB1 ARG 31 9.871 -2.819 -2.268
206 1HG ARG 31 HG2 ARG 31 10.201 -0.480 -1.181
207 2HG ARG 31 HG1 ARG 31 11.396 -1.290 -0.167
208 1HD ARG 31 HD2 ARG 31 12.868 -0.970 -1.848
209 2HD ARG 31 HD1 ARG 31 11.971 -2.199 -2.740
210 HE ARG 31 HE ARG 31 10.681 0.345 -3.056
211 1HH1 ARG 31 HH11 ARG 31 13.534 1.126 -3.501
212 2HH1 ARG 31 HH12 ARG 31 13.738 0.820 -5.194
213 1HH2 ARG 31 HH21 ARG 31 10.910 -1.172 -5.442
214 2HH2 ARG 31 HH22 ARG 31 12.254 -0.484 -6.292
215 H LYS 32 HN LYS 32 6.736 -3.703 0.511
216 HA LYS 32 HA LYS 32 5.675 -4.387 -2.199
217 1HB LYS 32 HB2 LYS 32 6.682 -6.206 -0.278
218 2HB LYS 32 HB1 LYS 32 4.926 -6.372 -0.246
219 1HG LYS 32 HG2 LYS 32 6.077 -6.156 -2.953
220 2HG LYS 32 HG1 LYS 32 6.554 -7.606 -2.069
221 1HD LYS 32 HD2 LYS 32 4.554 -8.509 -2.557
222 2HD LYS 32 HD1 LYS 32 3.791 -7.256 -1.579
223 1HE LYS 32 HE2 LYS 32 2.765 -6.858 -3.620
224 2HE LYS 32 HE1 LYS 32 4.165 -5.795 -3.764
225 1HZ LYS 32 HZ1 LYS 32 3.499 -7.733 -5.520
226 2HZ LYS 32 HZ2 LYS 32 4.677 -8.508 -4.572
227 3HZ LYS 32 HZ3 LYS 32 5.045 -7.051 -5.364
228 H CYS 33 HN CYS 33 3.838 -3.193 -2.345
229 HA CYS 33 HA CYS 33 2.224 -2.644 0.063
230 1HB CYS 33 HB2 CYS 33 2.469 -1.524 -2.648
231 2HB CYS 33 HB1 CYS 33 0.809 -1.617 -2.061
232 H LYS 34 HN LYS 34 0.418 -3.765 0.584
233 HA LYS 34 HA LYS 34 -0.855 -5.464 -1.515
234 1HB LYS 34 HB2 LYS 34 0.627 -6.651 0.321
235 2HB LYS 34 HB1 LYS 34 -0.780 -6.368 1.348
236 1HG LYS 34 HG2 LYS 34 -1.064 -8.539 0.350
237 2HG LYS 34 HG1 LYS 34 -2.189 -7.448 -0.460
238 1HD LYS 34 HD2 LYS 34 0.318 -7.317 -1.829
239 2HD LYS 34 HD1 LYS 34 -0.111 -9.016 -1.633
240 1HE LYS 34 HE2 LYS 34 -1.517 -8.767 -3.379
241 2HE LYS 34 HE1 LYS 34 -2.514 -7.753 -2.335
242 1HZ LYS 34 HZ1 LYS 34 -1.534 -6.857 -4.583
243 2HZ LYS 34 HZ2 LYS 34 -0.177 -6.538 -3.611
244 3HZ LYS 34 HZ3 LYS 34 -1.683 -5.850 -3.227
245 H CYS 35 HN CYS 35 -2.594 -4.030 -1.790
246 HA CYS 35 HA CYS 35 -4.105 -3.219 0.633
247 1HB CYS 35 HB2 CYS 35 -4.800 -2.392 -2.174
248 2HB CYS 35 HB1 CYS 35 -5.067 -1.519 -0.664
249 H PHE 36 HN PHE 36 -6.333 -3.724 0.857
250 HA PHE 36 HA PHE 36 -7.105 -6.267 -0.376
251 1HB PHE 36 HB2 PHE 36 -8.638 -4.453 1.512
252 2HB PHE 36 HB1 PHE 36 -9.078 -6.108 1.089
253 HD1 PHE 36 HD1 PHE 36 -7.713 -4.288 3.643
254 HD2 PHE 36 HD2 PHE 36 -6.780 -7.709 1.216
255 HE1 PHE 36 HE1 PHE 36 -6.215 -5.144 5.424
256 HE2 PHE 36 HE2 PHE 36 -5.283 -8.565 2.998
257 HZ PHE 36 HZ PHE 36 -5.001 -7.282 5.102
258 H GLY 37 HN GLY 37 -8.989 -3.253 -0.013
259 1HA GLY 37 HA2 GLY 37 -10.224 -2.061 -1.634
260 2HA GLY 37 HA1 GLY 37 -9.464 -3.050 -2.878
261 H ARG 38 HN ARG 38 -10.608 -5.240 -0.731
262 HA ARG 38 HA ARG 38 -12.996 -5.739 -2.395
263 1HB ARG 38 HB2 ARG 38 -11.306 -7.538 -1.699
264 2HB ARG 38 HB1 ARG 38 -12.006 -7.419 -0.084
265 1HG ARG 38 HG2 ARG 38 -13.637 -8.823 -0.741
266 2HG ARG 38 HG1 ARG 38 -14.189 -7.588 -1.873
267 1HD ARG 38 HD2 ARG 38 -12.548 -8.436 -3.547
268 2HD ARG 38 HD1 ARG 38 -12.104 -9.720 -2.422
269 HE ARG 38 HE ARG 38 -14.204 -9.997 -4.185
270 1HH1 ARG 38 HH21 ARG 38 -13.384 -11.028 -1.135
271 2HH1 ARG 38 HH22 ARG 38 -14.988 -11.459 -0.641
272 1HH2 ARG 38 HH11 ARG 38 -16.513 -10.005 -3.393
273 2HH2 ARG 38 HH12 ARG 38 -16.759 -10.874 -1.915
Start of MODEL 12
1 1H THR 4 HT1 THR 4 6.173 -4.174 -5.868
2 2H THR 4 HT2 THR 4 7.368 -2.967 -5.895
3 3H THR 4 HT3 THR 4 7.095 -3.926 -7.271
4 HA THR 4 HA THR 4 5.624 -2.484 -8.024
5 HB THR 4 HB THR 4 4.208 -2.669 -5.354
6 HG1 THR 4 HG1 THR 4 3.081 -4.378 -6.736
7 1HG2 THR 4 HG21 THR 4 3.655 -1.205 -7.640
8 2HG2 THR 4 HG22 THR 4 2.483 -1.652 -6.401
9 3HG2 THR 4 HG23 THR 4 2.666 -2.651 -7.843
10 H ILE 5 HN ILE 5 4.320 -0.806 -5.474
11 HA ILE 5 HA ILE 5 5.614 1.623 -6.067
12 HB ILE 5 HB ILE 5 4.707 1.182 -3.272
13 1HG1 ILE 5 HG12 ILE 5 3.018 -0.097 -4.432
14 2HG1 ILE 5 HG11 ILE 5 2.325 1.482 -4.075
15 1HG2 ILE 5 HG21 ILE 5 3.460 3.376 -4.070
16 2HG2 ILE 5 HG22 ILE 5 4.682 3.336 -5.341
17 3HG2 ILE 5 HG23 ILE 5 5.172 3.415 -3.649
18 1HD1 ILE 5 HD11 ILE 5 1.842 0.822 -6.399
19 2HD1 ILE 5 HD12 ILE 5 3.570 0.677 -6.718
20 3HD1 ILE 5 HD13 ILE 5 2.871 2.252 -6.348
21 H SER 6 HN SER 6 7.098 2.872 -4.611
22 HA SER 6 HA SER 6 9.187 1.047 -3.504
23 1HB SER 6 HB2 SER 6 9.247 3.696 -4.872
24 2HB SER 6 HB1 SER 6 10.450 3.416 -3.616
25 HG SER 6 HG SER 6 10.646 1.275 -4.843
26 H CYS 7 HN CYS 7 6.943 1.513 -1.908
27 HA CYS 7 HA CYS 7 7.675 3.673 -0.020
28 1HB CYS 7 HB2 CYS 7 5.543 3.115 1.083
29 2HB CYS 7 HB1 CYS 7 5.301 3.384 -0.643
30 H THR 8 HN THR 8 7.583 3.079 2.358
31 HA THR 8 HA THR 8 8.523 0.312 2.909
32 HB THR 8 HB THR 8 10.566 1.639 2.623
33 HG1 THR 8 HG1 THR 8 11.079 1.608 5.082
34 1HG2 THR 8 HG21 THR 8 9.010 3.563 4.266
35 2HG2 THR 8 HG22 THR 8 10.173 3.866 2.975
36 3HG2 THR 8 HG23 THR 8 10.740 3.470 4.596
37 H ASN 9 HN ASN 9 6.198 2.348 3.467
38 HA ASN 9 HA ASN 9 5.767 1.431 6.231
39 1HB ASN 9 HB2 ASN 9 6.936 3.902 5.900
40 2HB ASN 9 HB1 ASN 9 5.223 4.313 5.957
41 1HD2 ASN 9 HD21 ASN 9 5.038 5.100 8.101
42 2HD2 ASN 9 HD22 ASN 9 5.428 4.184 9.476
43 H GLU 10 HN GLU 10 3.566 1.234 6.665
44 HA GLU 10 HA GLU 10 1.721 1.104 4.526
45 1HB GLU 10 HB2 GLU 10 1.623 0.201 7.012
46 2HB GLU 10 HB1 GLU 10 0.752 1.708 7.296
47 1HG GLU 10 HG2 GLU 10 -0.295 0.602 4.902
48 2HG GLU 10 HG1 GLU 10 -0.205 -0.714 6.072
49 H LYS 11 HN LYS 11 2.890 3.857 6.212
50 HA LYS 11 HA LYS 11 0.605 5.574 5.970
51 1HB LYS 11 HB2 LYS 11 2.769 5.939 7.331
52 2HB LYS 11 HB1 LYS 11 3.469 6.518 5.819
53 1HG LYS 11 HG2 LYS 11 2.135 8.400 5.756
54 2HG LYS 11 HG1 LYS 11 0.815 7.624 6.632
55 1HD LYS 11 HD2 LYS 11 2.745 7.587 8.543
56 2HD LYS 11 HD1 LYS 11 3.191 9.057 7.677
57 1HE LYS 11 HE2 LYS 11 0.364 9.086 7.939
58 2HE LYS 11 HE1 LYS 11 1.020 8.657 9.519
59 1HZ LYS 11 HZ1 LYS 11 1.070 10.944 9.561
60 2HZ LYS 11 HZ2 LYS 11 1.475 11.084 7.917
61 3HZ LYS 11 HZ3 LYS 11 2.644 10.585 9.044
62 H GLN 12 HN GLN 12 3.441 5.086 3.848
63 HA GLN 12 HA GLN 12 2.461 6.953 1.847
64 1HB GLN 12 HB2 GLN 12 4.628 4.840 1.766
65 2HB GLN 12 HB1 GLN 12 4.307 5.972 0.452
66 1HG GLN 12 HG2 GLN 12 5.544 7.532 1.493
67 2HG GLN 12 HG1 GLN 12 4.451 7.471 2.876
68 1HE2 GLN 12 HE21 GLN 12 7.256 7.863 3.248
69 2HE2 GLN 12 HE22 GLN 12 7.897 6.489 4.010
70 H CYS 13 HN CYS 13 1.151 4.098 2.697
71 HA CYS 13 HA CYS 13 0.529 3.331 -0.131
72 1HB CYS 13 HB2 CYS 13 1.602 1.698 1.674
73 2HB CYS 13 HB1 CYS 13 -0.075 1.533 2.187
74 H TYR 14 HN TYR 14 -0.727 5.084 2.357
75 HA TYR 14 HA TYR 14 -3.438 4.026 2.415
76 1HB TYR 14 HB2 TYR 14 -1.965 6.252 3.650
77 2HB TYR 14 HB1 TYR 14 -3.659 6.609 3.311
78 HD1 TYR 14 HD1 TYR 14 -1.379 4.982 5.531
79 HD2 TYR 14 HD2 TYR 14 -5.407 4.832 4.045
80 HE1 TYR 14 HE1 TYR 14 -2.053 3.627 7.496
81 HE2 TYR 14 HE2 TYR 14 -6.080 3.476 6.010
82 HH TYR 14 HH TYR 14 -3.817 2.034 8.109
83 HA PRO 15 HA PRO 15 -4.405 7.780 -0.382
84 1HB PRO 15 HB2 PRO 15 -2.278 9.230 -1.345
85 2HB PRO 15 HB1 PRO 15 -3.107 9.600 0.177
86 1HG PRO 15 HG2 PRO 15 -0.449 8.302 -0.250
87 2HG PRO 15 HG1 PRO 15 -1.012 9.283 1.114
88 1HD PRO 15 HD2 PRO 15 -0.819 6.477 1.097
89 2HD PRO 15 HD1 PRO 15 -1.747 7.440 2.265
90 H HIS 16 HN HIS 16 -1.530 5.892 -1.116
91 HA HIS 16 HA HIS 16 -1.878 6.100 -4.003
92 1HB HIS 16 HB2 HIS 16 0.307 5.569 -3.775
93 2HB HIS 16 HB1 HIS 16 0.069 4.970 -2.139
94 HD1 HIS 16 HD1 HIS 16 -0.488 3.795 -5.729
95 HD2 HIS 16 HD2 HIS 16 0.280 2.238 -1.944
96 HE1 HIS 16 HE1 HIS 16 -0.164 1.301 -6.036
97 H CYS 17 HN CYS 17 -2.521 3.547 -1.559
98 HA CYS 17 HA CYS 17 -3.673 1.761 -3.545
99 1HB CYS 17 HB2 CYS 17 -3.245 1.748 -0.630
100 2HB CYS 17 HB1 CYS 17 -4.697 0.898 -1.154
101 H LYS 18 HN LYS 18 -4.891 4.372 -1.571
102 HA LYS 18 HA LYS 18 -7.649 3.704 -1.523
103 1HB LYS 18 HB2 LYS 18 -6.722 5.599 -0.256
104 2HB LYS 18 HB1 LYS 18 -6.372 6.446 -1.764
105 1HG LYS 18 HG2 LYS 18 -8.843 6.273 -2.314
106 2HG LYS 18 HG1 LYS 18 -9.093 5.701 -0.664
107 1HD LYS 18 HD2 LYS 18 -7.439 8.072 -0.650
108 2HD LYS 18 HD1 LYS 18 -8.937 8.383 -1.526
109 1HE LYS 18 HE2 LYS 18 -9.047 6.927 1.097
110 2HE LYS 18 HE1 LYS 18 -8.873 8.682 1.089
111 1HZ LYS 18 HZ1 LYS 18 -10.847 7.907 -0.769
112 2HZ LYS 18 HZ2 LYS 18 -11.006 8.895 0.604
113 3HZ LYS 18 HZ3 LYS 18 -11.197 7.212 0.738
114 H LYS 19 HN LYS 19 -5.779 5.496 -3.985
115 HA LYS 19 HA LYS 19 -8.117 5.717 -5.730
116 1HB LYS 19 HB2 LYS 19 -5.498 6.877 -5.588
117 2HB LYS 19 HB1 LYS 19 -5.713 6.166 -7.188
118 1HG LYS 19 HG2 LYS 19 -7.228 7.732 -7.791
119 2HG LYS 19 HG1 LYS 19 -8.097 7.589 -6.262
120 1HD LYS 19 HD2 LYS 19 -5.709 8.811 -5.534
121 2HD LYS 19 HD1 LYS 19 -6.098 9.561 -7.083
122 1HE LYS 19 HE2 LYS 19 -8.288 9.240 -5.065
123 2HE LYS 19 HE1 LYS 19 -7.105 10.525 -4.824
124 1HZ LYS 19 HZ1 LYS 19 -7.962 11.703 -6.486
125 2HZ LYS 19 HZ2 LYS 19 -9.297 10.653 -6.430
126 3HZ LYS 19 HZ3 LYS 19 -8.033 10.366 -7.528
127 H GLU 20 HN GLU 20 -5.333 3.585 -5.411
128 HA GLU 20 HA GLU 20 -5.369 2.308 -7.919
129 1HB GLU 20 HB2 GLU 20 -3.657 1.809 -6.249
130 2HB GLU 20 HB1 GLU 20 -4.870 1.099 -5.183
131 1HG GLU 20 HG2 GLU 20 -3.990 -0.795 -6.229
132 2HG GLU 20 HG1 GLU 20 -5.388 -0.441 -7.245
133 H THR 21 HN THR 21 -7.649 2.088 -5.279
134 HA THR 21 HA THR 21 -9.354 0.363 -6.991
135 HB THR 21 HB THR 21 -8.565 -1.372 -5.662
136 HG1 THR 21 HG1 THR 21 -10.811 -1.146 -5.332
137 1HG2 THR 21 HG21 THR 21 -8.523 -0.501 -2.988
138 2HG2 THR 21 HG22 THR 21 -7.791 0.806 -3.917
139 3HG2 THR 21 HG23 THR 21 -7.131 -0.825 -4.019
140 H GLY 22 HN GLY 22 -9.346 1.802 -3.703
141 1HA GLY 22 HA2 GLY 22 -11.117 3.888 -4.085
142 2HA GLY 22 HA1 GLY 22 -12.169 2.481 -3.913
143 H TYR 23 HN TYR 23 -10.378 1.090 -2.066
144 HA TYR 23 HA TYR 23 -11.131 2.575 0.375
145 1HB TYR 23 HB2 TYR 23 -9.855 -0.164 0.171
146 2HB TYR 23 HB1 TYR 23 -10.723 0.513 1.549
147 HD1 TYR 23 HD1 TYR 23 -11.306 -2.097 -0.119
148 HD2 TYR 23 HD2 TYR 23 -12.902 1.891 -0.166
149 HE1 TYR 23 HE1 TYR 23 -13.444 -2.962 -1.030
150 HE2 TYR 23 HE2 TYR 23 -15.039 1.025 -1.076
151 HH TYR 23 HH TYR 23 -15.708 -2.385 -1.263
152 HA PRO 24 HA PRO 24 -6.979 3.969 0.932
153 1HB PRO 24 HB2 PRO 24 -7.267 4.829 3.527
154 2HB PRO 24 HB1 PRO 24 -7.882 5.723 2.127
155 1HG PRO 24 HG2 PRO 24 -9.389 4.114 4.134
156 2HG PRO 24 HG1 PRO 24 -9.942 5.473 3.142
157 1HD PRO 24 HD2 PRO 24 -10.466 2.731 2.649
158 2HD PRO 24 HD1 PRO 24 -10.739 4.069 1.514
159 H ASN 25 HN ASN 25 -8.470 1.470 2.798
160 HA ASN 25 HA ASN 25 -6.350 0.850 4.612
161 1HB ASN 25 HB2 ASN 25 -8.110 -1.257 3.370
162 2HB ASN 25 HB1 ASN 25 -7.493 -1.166 5.021
163 1HD2 ASN 25 HD21 ASN 25 -8.567 0.314 6.518
164 2HD2 ASN 25 HD22 ASN 25 -10.094 0.967 6.167
165 H ALA 26 HN ALA 26 -4.298 0.372 3.995
166 HA ALA 26 HA ALA 26 -3.888 -1.662 1.888
167 1HB ALA 26 HB1 ALA 26 -3.869 0.604 0.773
168 2HB ALA 26 HB2 ALA 26 -2.365 -0.302 0.598
169 3HB ALA 26 HB3 ALA 26 -2.473 1.015 1.768
170 H LYS 27 HN LYS 27 -1.505 -2.297 1.823
171 HA LYS 27 HA LYS 27 -0.167 -1.785 4.444
172 1HB LYS 27 HB2 LYS 27 0.555 -4.249 4.311
173 2HB LYS 27 HB1 LYS 27 -1.125 -3.942 4.755
174 1HG LYS 27 HG2 LYS 27 -1.921 -4.886 2.853
175 2HG LYS 27 HG1 LYS 27 -0.686 -4.118 1.853
176 1HD LYS 27 HD2 LYS 27 -0.480 -6.609 1.899
177 2HD LYS 27 HD1 LYS 27 0.956 -5.791 2.520
178 1HE LYS 27 HE2 LYS 27 0.716 -6.777 4.529
179 2HE LYS 27 HE1 LYS 27 -0.949 -6.212 4.655
180 1HZ LYS 27 HZ1 LYS 27 -0.766 -8.293 2.753
181 2HZ LYS 27 HZ2 LYS 27 -1.680 -8.233 4.185
182 3HZ LYS 27 HZ3 LYS 27 -0.080 -8.803 4.218
183 H CYS 28 HN CYS 28 2.006 -1.362 4.231
184 HA CYS 28 HA CYS 28 3.243 -1.945 1.570
185 1HB CYS 28 HB2 CYS 28 2.934 0.432 1.690
186 2HB CYS 28 HB1 CYS 28 3.544 0.493 3.342
187 H MET 29 HN MET 29 4.157 -3.901 2.395
188 HA MET 29 HA MET 29 6.329 -3.455 4.406
189 1HB MET 29 HB2 MET 29 5.905 -6.166 4.476
190 2HB MET 29 HB1 MET 29 5.199 -5.019 5.613
191 1HG MET 29 HG2 MET 29 3.201 -4.822 4.163
192 2HG MET 29 HG1 MET 29 3.904 -5.995 3.049
193 1HE MET 29 HE1 MET 29 3.338 -5.435 6.870
194 2HE MET 29 HE2 MET 29 2.105 -6.652 7.191
195 3HE MET 29 HE3 MET 29 1.775 -5.354 6.046
196 H ASN 30 HN ASN 30 8.370 -4.127 3.796
197 HA ASN 30 HA ASN 30 10.075 -4.855 2.356
198 1HB ASN 30 HB2 ASN 30 8.558 -7.005 2.705
199 2HB ASN 30 HB1 ASN 30 8.160 -6.728 1.010
200 1HD2 ASN 30 HD21 ASN 30 9.913 -6.894 -0.576
201 2HD2 ASN 30 HD22 ASN 30 11.382 -7.649 -0.181
202 H ARG 31 HN ARG 31 8.661 -2.572 1.551
203 HA ARG 31 HA ARG 31 8.187 -1.267 -0.345
204 1HB ARG 31 HB2 ARG 31 10.097 -3.296 -1.549
205 2HB ARG 31 HB1 ARG 31 9.609 -1.789 -2.329
206 1HG ARG 31 HG2 ARG 31 10.505 -0.519 -0.390
207 2HG ARG 31 HG1 ARG 31 11.050 -2.035 0.328
208 1HD ARG 31 HD2 ARG 31 11.997 -2.003 -2.349
209 2HD ARG 31 HD1 ARG 31 12.364 -0.425 -1.655
210 HE ARG 31 HE ARG 31 13.147 -2.938 -0.240
211 1HH1 ARG 31 HH11 ARG 31 14.745 -1.354 -2.499
212 2HH1 ARG 31 HH12 ARG 31 15.940 -0.602 -1.496
213 1HH2 ARG 31 HH21 ARG 31 14.286 -1.319 1.467
214 2HH2 ARG 31 HH22 ARG 31 15.681 -0.583 0.750
215 H LYS 32 HN LYS 32 6.481 -3.639 0.250
216 HA LYS 32 HA LYS 32 5.432 -4.097 -2.517
217 1HB LYS 32 HB2 LYS 32 6.235 -5.999 -0.541
218 2HB LYS 32 HB1 LYS 32 4.483 -6.103 -0.707
219 1HG LYS 32 HG2 LYS 32 4.801 -6.221 -3.204
220 2HG LYS 32 HG1 LYS 32 6.540 -6.327 -2.922
221 1HD LYS 32 HD2 LYS 32 4.652 -8.222 -1.536
222 2HD LYS 32 HD1 LYS 32 5.191 -8.542 -3.185
223 1HE LYS 32 HE2 LYS 32 7.546 -7.869 -1.909
224 2HE LYS 32 HE1 LYS 32 6.675 -8.760 -0.661
225 1HZ LYS 32 HZ1 LYS 32 6.398 -10.040 -3.170
226 2HZ LYS 32 HZ2 LYS 32 7.048 -10.649 -1.723
227 3HZ LYS 32 HZ3 LYS 32 8.041 -9.811 -2.818
228 H CYS 33 HN CYS 33 3.631 -2.825 -2.696
229 HA CYS 33 HA CYS 33 1.970 -2.348 -0.289
230 1HB CYS 33 HB2 CYS 33 2.449 -0.932 -2.819
231 2HB CYS 33 HB1 CYS 33 0.753 -0.969 -2.335
232 H LYS 34 HN LYS 34 -0.236 -2.860 -0.213
233 HA LYS 34 HA LYS 34 -1.393 -4.423 -2.446
234 1HB LYS 34 HB2 LYS 34 -0.195 -5.830 -0.485
235 2HB LYS 34 HB1 LYS 34 -1.768 -5.581 0.274
236 1HG LYS 34 HG2 LYS 34 -2.785 -6.377 -1.948
237 2HG LYS 34 HG1 LYS 34 -1.162 -6.939 -2.356
238 1HD LYS 34 HD2 LYS 34 -1.110 -8.398 -0.432
239 2HD LYS 34 HD1 LYS 34 -2.620 -7.722 0.181
240 1HE LYS 34 HE2 LYS 34 -3.860 -9.073 -1.133
241 2HE LYS 34 HE1 LYS 34 -2.902 -8.672 -2.560
242 1HZ LYS 34 HZ1 LYS 34 -2.902 -11.065 -1.309
243 2HZ LYS 34 HZ2 LYS 34 -1.517 -10.328 -0.655
244 3HZ LYS 34 HZ3 LYS 34 -1.676 -10.506 -2.338
245 H CYS 35 HN CYS 35 -3.340 -3.472 -2.790
246 HA CYS 35 HA CYS 35 -4.616 -1.958 -0.599
247 1HB CYS 35 HB2 CYS 35 -5.830 -2.261 -3.328
248 2HB CYS 35 HB1 CYS 35 -5.857 -0.871 -2.246
249 H PHE 36 HN PHE 36 -6.610 -2.501 0.309
250 HA PHE 36 HA PHE 36 -7.337 -5.279 0.340
251 1HB PHE 36 HB2 PHE 36 -8.322 -2.773 1.556
252 2HB PHE 36 HB1 PHE 36 -9.557 -4.009 1.312
253 HD1 PHE 36 HD1 PHE 36 -5.981 -3.799 2.450
254 HD2 PHE 36 HD2 PHE 36 -9.866 -5.535 3.037
255 HE1 PHE 36 HE1 PHE 36 -5.128 -5.041 4.420
256 HE2 PHE 36 HE2 PHE 36 -9.013 -6.778 5.007
257 HZ PHE 36 HZ PHE 36 -6.644 -6.530 5.698
258 H GLY 37 HN GLY 37 -9.122 -2.450 -0.948
259 1HA GLY 37 HA2 GLY 37 -10.689 -2.325 -2.690
260 2HA GLY 37 HA1 GLY 37 -9.839 -3.696 -3.404
261 H ARG 38 HN ARG 38 -11.151 -4.013 -0.201
262 HA ARG 38 HA ARG 38 -13.756 -4.992 -0.901
263 1HB ARG 38 HB2 ARG 38 -13.319 -7.423 -0.518
264 2HB ARG 38 HB1 ARG 38 -12.534 -6.812 -1.976
265 1HG ARG 38 HG2 ARG 38 -10.431 -7.054 -1.108
266 2HG ARG 38 HG1 ARG 38 -10.946 -6.628 0.525
267 1HD ARG 38 HD2 ARG 38 -11.312 -9.286 -0.880
268 2HD ARG 38 HD1 ARG 38 -10.353 -8.961 0.563
269 HE ARG 38 HE ARG 38 -12.707 -8.287 1.548
270 1HH1 ARG 38 HH21 ARG 38 -13.256 -9.858 -1.276
271 2HH1 ARG 38 HH22 ARG 38 -14.037 -11.248 -0.600
272 1HH2 ARG 38 HH11 ARG 38 -13.179 -10.470 2.669
273 2HH2 ARG 38 HH12 ARG 38 -13.992 -11.595 1.634
Start of MODEL 13
1 1H THR 4 HT1 THR 4 5.991 -5.021 -7.603
2 2H THR 4 HT2 THR 4 7.024 -3.912 -8.370
3 3H THR 4 HT3 THR 4 5.850 -4.748 -9.270
4 HA THR 4 HA THR 4 4.655 -2.880 -9.026
5 HB THR 4 HB THR 4 4.175 -3.433 -6.159
6 HG1 THR 4 HG1 THR 4 4.115 -5.500 -6.385
7 1HG2 THR 4 HG21 THR 4 2.334 -2.366 -6.921
8 2HG2 THR 4 HG22 THR 4 1.882 -3.916 -7.628
9 3HG2 THR 4 HG23 THR 4 2.729 -2.716 -8.604
10 H ILE 5 HN ILE 5 4.127 -1.466 -6.506
11 HA ILE 5 HA ILE 5 6.309 0.435 -6.638
12 HB ILE 5 HB ILE 5 3.757 0.756 -6.028
13 1HG1 ILE 5 HG12 ILE 5 5.004 2.617 -4.307
14 2HG1 ILE 5 HG11 ILE 5 6.170 2.255 -5.581
15 1HG2 ILE 5 HG21 ILE 5 4.617 0.988 -3.232
16 2HG2 ILE 5 HG22 ILE 5 4.506 -0.675 -3.806
17 3HG2 ILE 5 HG23 ILE 5 3.099 0.384 -3.897
18 1HD1 ILE 5 HD11 ILE 5 4.000 2.502 -7.119
19 2HD1 ILE 5 HD12 ILE 5 4.960 3.905 -6.651
20 3HD1 ILE 5 HD13 ILE 5 3.473 3.523 -5.782
21 H SER 6 HN SER 6 6.396 1.052 -3.814
22 HA SER 6 HA SER 6 7.246 -1.118 -2.195
23 1HB SER 6 HB2 SER 6 9.815 -0.312 -2.481
24 2HB SER 6 HB1 SER 6 9.133 -1.675 -3.365
25 HG SER 6 HG SER 6 9.394 1.020 -4.220
26 H CYS 7 HN CYS 7 6.603 -0.025 -0.363
27 HA CYS 7 HA CYS 7 8.071 2.493 0.238
28 1HB CYS 7 HB2 CYS 7 6.177 3.725 0.705
29 2HB CYS 7 HB1 CYS 7 5.541 2.696 -0.570
30 H THR 8 HN THR 8 8.073 2.976 2.615
31 HA THR 8 HA THR 8 7.879 0.440 4.192
32 HB THR 8 HB THR 8 10.197 0.923 4.034
33 HG1 THR 8 HG1 THR 8 9.457 0.639 6.189
34 1HG2 THR 8 HG21 THR 8 9.237 3.742 4.131
35 2HG2 THR 8 HG22 THR 8 10.492 3.015 3.127
36 3HG2 THR 8 HG23 THR 8 10.830 3.411 4.812
37 H ASN 9 HN ASN 9 5.773 2.419 3.874
38 HA ASN 9 HA ASN 9 5.314 2.978 6.724
39 1HB ASN 9 HB2 ASN 9 6.527 4.981 5.367
40 2HB ASN 9 HB1 ASN 9 4.843 5.341 4.984
41 1HD2 ASN 9 HD21 ASN 9 7.198 5.144 7.618
42 2HD2 ASN 9 HD22 ASN 9 6.214 5.875 8.792
43 H GLU 10 HN GLU 10 3.173 2.643 7.140
44 HA GLU 10 HA GLU 10 1.363 1.696 5.200
45 1HB GLU 10 HB2 GLU 10 0.770 3.086 7.830
46 2HB GLU 10 HB1 GLU 10 -0.405 2.164 6.893
47 1HG GLU 10 HG2 GLU 10 0.333 0.253 7.819
48 2HG GLU 10 HG1 GLU 10 1.954 0.570 7.201
49 H LYS 11 HN LYS 11 1.824 5.001 6.429
50 HA LYS 11 HA LYS 11 -0.365 6.181 5.012
51 1HB LYS 11 HB2 LYS 11 1.075 7.205 6.886
52 2HB LYS 11 HB1 LYS 11 2.235 7.595 5.615
53 1HG LYS 11 HG2 LYS 11 0.827 9.522 5.864
54 2HG LYS 11 HG1 LYS 11 0.322 8.722 4.376
55 1HD LYS 11 HD2 LYS 11 -1.596 9.410 5.850
56 2HD LYS 11 HD1 LYS 11 -1.555 7.681 5.499
57 1HE LYS 11 HE2 LYS 11 -0.832 7.125 7.648
58 2HE LYS 11 HE1 LYS 11 -0.159 8.728 7.943
59 1HZ LYS 11 HZ1 LYS 11 -2.423 8.013 8.996
60 2HZ LYS 11 HZ2 LYS 11 -3.043 8.476 7.483
61 3HZ LYS 11 HZ3 LYS 11 -2.193 9.597 8.437
62 H GLN 12 HN GLN 12 2.952 5.433 4.081
63 HA GLN 12 HA GLN 12 3.029 6.941 1.659
64 1HB GLN 12 HB2 GLN 12 4.567 4.737 2.876
65 2HB GLN 12 HB1 GLN 12 4.612 4.779 1.113
66 1HG GLN 12 HG2 GLN 12 5.063 7.283 2.729
67 2HG GLN 12 HG1 GLN 12 6.387 6.164 2.403
68 1HE2 GLN 12 HE21 GLN 12 6.943 5.778 0.087
69 2HE2 GLN 12 HE22 GLN 12 6.540 6.942 -1.081
70 H CYS 13 HN CYS 13 1.416 3.951 2.448
71 HA CYS 13 HA CYS 13 0.738 3.641 -0.453
72 1HB CYS 13 HB2 CYS 13 2.104 1.786 0.783
73 2HB CYS 13 HB1 CYS 13 0.557 1.380 1.524
74 H TYR 14 HN TYR 14 -0.506 4.791 2.320
75 HA TYR 14 HA TYR 14 -3.070 3.438 2.408
76 1HB TYR 14 HB2 TYR 14 -1.776 5.703 3.779
77 2HB TYR 14 HB1 TYR 14 -3.521 5.871 3.590
78 HD1 TYR 14 HD1 TYR 14 -4.378 3.025 3.677
79 HD2 TYR 14 HD2 TYR 14 -1.499 5.144 6.059
80 HE1 TYR 14 HE1 TYR 14 -4.730 1.419 5.535
81 HE2 TYR 14 HE2 TYR 14 -1.850 3.539 7.913
82 HH TYR 14 HH TYR 14 -3.814 0.655 7.502
83 HA PRO 15 HA PRO 15 -4.592 7.294 0.031
84 1HB PRO 15 HB2 PRO 15 -2.684 9.022 -0.937
85 2HB PRO 15 HB1 PRO 15 -3.444 9.189 0.656
86 1HG PRO 15 HG2 PRO 15 -0.700 8.238 -0.026
87 2HG PRO 15 HG1 PRO 15 -1.286 9.005 1.460
88 1HD PRO 15 HD2 PRO 15 -0.795 6.244 1.103
89 2HD PRO 15 HD1 PRO 15 -1.692 6.979 2.450
90 H HIS 16 HN HIS 16 -1.538 5.886 -1.076
91 HA HIS 16 HA HIS 16 -2.065 6.224 -3.891
92 1HB HIS 16 HB2 HIS 16 0.110 5.616 -3.886
93 2HB HIS 16 HB1 HIS 16 -0.006 5.054 -2.223
94 HD1 HIS 16 HD1 HIS 16 0.626 3.840 -5.555
95 HD2 HIS 16 HD2 HIS 16 -1.220 2.264 -2.166
96 HE1 HIS 16 HE1 HIS 16 0.548 1.330 -5.884
97 H CYS 17 HN CYS 17 -2.672 3.572 -1.588
98 HA CYS 17 HA CYS 17 -3.760 1.772 -3.554
99 1HB CYS 17 HB2 CYS 17 -3.770 1.951 -0.570
100 2HB CYS 17 HB1 CYS 17 -4.944 0.882 -1.340
101 H LYS 18 HN LYS 18 -5.287 4.075 -1.288
102 HA LYS 18 HA LYS 18 -7.982 3.525 -1.872
103 1HB LYS 18 HB2 LYS 18 -6.939 5.233 -0.203
104 2HB LYS 18 HB1 LYS 18 -7.008 6.359 -1.558
105 1HG LYS 18 HG2 LYS 18 -9.507 4.968 -1.417
106 2HG LYS 18 HG1 LYS 18 -9.126 5.591 0.188
107 1HD LYS 18 HD2 LYS 18 -9.273 7.778 -0.476
108 2HD LYS 18 HD1 LYS 18 -8.628 7.441 -2.082
109 1HE LYS 18 HE2 LYS 18 -10.854 6.233 -2.536
110 2HE LYS 18 HE1 LYS 18 -11.446 7.030 -1.080
111 1HZ LYS 18 HZ1 LYS 18 -11.276 9.095 -2.027
112 2HZ LYS 18 HZ2 LYS 18 -11.709 8.165 -3.382
113 3HZ LYS 18 HZ3 LYS 18 -10.090 8.621 -3.143
114 H LYS 19 HN LYS 19 -5.633 5.420 -3.723
115 HA LYS 19 HA LYS 19 -7.631 6.355 -5.636
116 1HB LYS 19 HB2 LYS 19 -4.600 6.354 -5.683
117 2HB LYS 19 HB1 LYS 19 -5.601 7.079 -6.943
118 1HG LYS 19 HG2 LYS 19 -6.276 7.861 -4.164
119 2HG LYS 19 HG1 LYS 19 -4.725 8.448 -4.767
120 1HD LYS 19 HD2 LYS 19 -5.801 10.043 -5.928
121 2HD LYS 19 HD1 LYS 19 -6.617 8.788 -6.862
122 1HE LYS 19 HE2 LYS 19 -8.566 9.252 -5.844
123 2HE LYS 19 HE1 LYS 19 -7.835 8.966 -4.265
124 1HZ LYS 19 HZ1 LYS 19 -7.752 11.504 -5.804
125 2HZ LYS 19 HZ2 LYS 19 -6.969 11.238 -4.320
126 3HZ LYS 19 HZ3 LYS 19 -8.666 11.210 -4.405
127 H GLU 20 HN GLU 20 -5.481 3.597 -5.358
128 HA GLU 20 HA GLU 20 -5.607 2.787 -8.121
129 1HB GLU 20 HB2 GLU 20 -4.013 1.985 -6.212
130 2HB GLU 20 HB1 GLU 20 -5.304 0.840 -5.845
131 1HG GLU 20 HG2 GLU 20 -5.256 0.214 -8.328
132 2HG GLU 20 HG1 GLU 20 -3.739 1.112 -8.418
133 H THR 21 HN THR 21 -7.336 1.517 -5.240
134 HA THR 21 HA THR 21 -9.415 0.483 -7.122
135 HB THR 21 HB THR 21 -9.994 -1.132 -5.404
136 HG1 THR 21 HG1 THR 21 -9.687 -0.399 -3.463
137 1HG2 THR 21 HG21 THR 21 -8.115 -1.746 -6.833
138 2HG2 THR 21 HG22 THR 21 -7.821 -2.334 -5.196
139 3HG2 THR 21 HG23 THR 21 -6.996 -0.887 -5.775
140 H GLY 22 HN GLY 22 -9.021 2.056 -3.933
141 1HA GLY 22 HA2 GLY 22 -10.609 4.154 -3.907
142 2HA GLY 22 HA1 GLY 22 -11.862 2.929 -4.098
143 H TYR 23 HN TYR 23 -9.830 1.209 -2.387
144 HA TYR 23 HA TYR 23 -11.065 2.023 0.185
145 1HB TYR 23 HB2 TYR 23 -9.994 -0.503 -0.955
146 2HB TYR 23 HB1 TYR 23 -9.761 -0.270 0.778
147 HD1 TYR 23 HD1 TYR 23 -11.662 -0.108 2.302
148 HD2 TYR 23 HD2 TYR 23 -12.240 -0.673 -1.917
149 HE1 TYR 23 HE1 TYR 23 -14.032 -0.714 2.708
150 HE2 TYR 23 HE2 TYR 23 -14.612 -1.278 -1.511
151 HH TYR 23 HH TYR 23 -15.822 -1.971 1.602
152 HA PRO 24 HA PRO 24 -7.050 3.723 1.212
153 1HB PRO 24 HB2 PRO 24 -7.879 4.875 3.564
154 2HB PRO 24 HB1 PRO 24 -8.167 5.594 1.969
155 1HG PRO 24 HG2 PRO 24 -10.093 4.226 3.784
156 2HG PRO 24 HG1 PRO 24 -10.401 5.438 2.528
157 1HD PRO 24 HD2 PRO 24 -10.823 2.636 2.300
158 2HD PRO 24 HD1 PRO 24 -10.871 3.821 0.978
159 H ASN 25 HN ASN 25 -7.503 0.926 1.797
160 HA ASN 25 HA ASN 25 -6.188 0.769 4.470
161 1HB ASN 25 HB2 ASN 25 -8.742 -0.349 3.678
162 2HB ASN 25 HB1 ASN 25 -7.616 -1.630 4.128
163 1HD2 ASN 25 HD21 ASN 25 -7.091 -1.860 6.351
164 2HD2 ASN 25 HD22 ASN 25 -7.691 -0.836 7.566
165 H ALA 26 HN ALA 26 -4.130 0.378 3.621
166 HA ALA 26 HA ALA 26 -3.817 -2.237 2.231
167 1HB ALA 26 HB1 ALA 26 -2.267 0.215 1.379
168 2HB ALA 26 HB2 ALA 26 -3.778 -0.256 0.600
169 3HB ALA 26 HB3 ALA 26 -2.386 -1.338 0.552
170 H LYS 27 HN LYS 27 -1.181 -2.494 2.034
171 HA LYS 27 HA LYS 27 0.093 -1.516 4.525
172 1HB LYS 27 HB2 LYS 27 -0.823 -4.279 4.047
173 2HB LYS 27 HB1 LYS 27 0.853 -4.150 4.582
174 1HG LYS 27 HG2 LYS 27 -0.246 -4.194 6.629
175 2HG LYS 27 HG1 LYS 27 -0.164 -2.456 6.338
176 1HD LYS 27 HD2 LYS 27 -2.409 -2.296 6.225
177 2HD LYS 27 HD1 LYS 27 -2.498 -3.614 5.056
178 1HE LYS 27 HE2 LYS 27 -3.651 -4.546 6.850
179 2HE LYS 27 HE1 LYS 27 -2.014 -5.116 7.174
180 1HZ LYS 27 HZ1 LYS 27 -3.033 -4.155 9.146
181 2HZ LYS 27 HZ2 LYS 27 -3.252 -2.679 8.334
182 3HZ LYS 27 HZ3 LYS 27 -1.685 -3.248 8.659
183 H CYS 28 HN CYS 28 2.419 -1.743 4.476
184 HA CYS 28 HA CYS 28 3.489 -2.212 1.718
185 1HB CYS 28 HB2 CYS 28 3.735 0.025 3.466
186 2HB CYS 28 HB1 CYS 28 5.319 -0.743 3.375
187 H MET 29 HN MET 29 3.950 -4.453 2.075
188 HA MET 29 HA MET 29 5.974 -4.988 4.211
189 1HB MET 29 HB2 MET 29 3.867 -6.721 2.925
190 2HB MET 29 HB1 MET 29 5.257 -7.438 3.741
191 1HG MET 29 HG2 MET 29 4.692 -6.104 5.779
192 2HG MET 29 HG1 MET 29 3.237 -5.535 4.959
193 1HE MET 29 HE1 MET 29 3.211 -8.074 7.915
194 2HE MET 29 HE2 MET 29 1.671 -7.380 7.414
195 3HE MET 29 HE3 MET 29 3.121 -6.378 7.416
196 H ASN 30 HN ASN 30 7.978 -5.674 3.577
197 HA ASN 30 HA ASN 30 9.760 -6.117 2.113
198 1HB ASN 30 HB2 ASN 30 7.864 -8.132 1.859
199 2HB ASN 30 HB1 ASN 30 8.174 -7.651 0.191
200 1HD2 ASN 30 HD21 ASN 30 9.212 -9.932 0.161
201 2HD2 ASN 30 HD22 ASN 30 10.837 -10.048 0.636
202 H ARG 31 HN ARG 31 8.947 -3.655 1.573
203 HA ARG 31 HA ARG 31 8.588 -2.034 -0.104
204 1HB ARG 31 HB2 ARG 31 10.079 -3.950 -1.897
205 2HB ARG 31 HB1 ARG 31 10.157 -2.188 -1.865
206 1HG ARG 31 HG2 ARG 31 11.873 -2.279 -0.418
207 2HG ARG 31 HG1 ARG 31 10.865 -3.158 0.731
208 1HD ARG 31 HD2 ARG 31 11.501 -5.273 -0.176
209 2HD ARG 31 HD1 ARG 31 12.224 -4.521 -1.599
210 HE ARG 31 HE ARG 31 13.417 -3.849 1.027
211 1HH1 ARG 31 HH11 ARG 31 14.193 -4.006 -2.131
212 2HH1 ARG 31 HH12 ARG 31 15.568 -5.049 -1.974
213 1HH2 ARG 31 HH21 ARG 31 14.894 -5.877 1.326
214 2HH2 ARG 31 HH22 ARG 31 15.965 -6.108 -0.015
215 H LYS 32 HN LYS 32 6.506 -4.085 0.115
216 HA LYS 32 HA LYS 32 5.548 -4.037 -2.719
217 1HB LYS 32 HB2 LYS 32 6.177 -6.332 -1.451
218 2HB LYS 32 HB1 LYS 32 4.517 -6.144 -0.886
219 1HG LYS 32 HG2 LYS 32 3.640 -6.185 -3.080
220 2HG LYS 32 HG1 LYS 32 5.212 -5.853 -3.807
221 1HD LYS 32 HD2 LYS 32 5.566 -8.207 -2.305
222 2HD LYS 32 HD1 LYS 32 4.023 -8.406 -3.135
223 1HE LYS 32 HE2 LYS 32 5.579 -7.315 -5.115
224 2HE LYS 32 HE1 LYS 32 6.751 -8.305 -4.243
225 1HZ LYS 32 HZ1 LYS 32 5.306 -9.346 -6.109
226 2HZ LYS 32 HZ2 LYS 32 4.114 -9.427 -4.900
227 3HZ LYS 32 HZ3 LYS 32 5.602 -10.222 -4.687
228 H CYS 33 HN CYS 33 3.398 -3.386 -2.991
229 HA CYS 33 HA CYS 33 2.079 -2.346 -0.527
230 1HB CYS 33 HB2 CYS 33 2.257 -1.431 -3.331
231 2HB CYS 33 HB1 CYS 33 0.655 -1.287 -2.607
232 H LYS 34 HN LYS 34 -0.068 -2.920 -0.072
233 HA LYS 34 HA LYS 34 -1.391 -4.837 -1.925
234 1HB LYS 34 HB2 LYS 34 -0.093 -5.629 0.437
235 2HB LYS 34 HB1 LYS 34 -1.808 -5.591 0.849
236 1HG LYS 34 HG2 LYS 34 -2.372 -7.135 -0.851
237 2HG LYS 34 HG1 LYS 34 -0.837 -6.903 -1.688
238 1HD LYS 34 HD2 LYS 34 -0.521 -8.956 -0.591
239 2HD LYS 34 HD1 LYS 34 0.229 -7.803 0.514
240 1HE LYS 34 HE2 LYS 34 -1.309 -8.187 2.130
241 2HE LYS 34 HE1 LYS 34 -2.647 -8.137 0.983
242 1HZ LYS 34 HZ1 LYS 34 -2.660 -10.342 0.806
243 2HZ LYS 34 HZ2 LYS 34 -1.689 -10.363 2.200
244 3HZ LYS 34 HZ3 LYS 34 -0.974 -10.444 0.661
245 H CYS 35 HN CYS 35 -3.218 -3.694 -2.402
246 HA CYS 35 HA CYS 35 -4.546 -2.134 -0.250
247 1HB CYS 35 HB2 CYS 35 -5.605 -2.236 -3.049
248 2HB CYS 35 HB1 CYS 35 -5.566 -0.886 -1.917
249 H PHE 36 HN PHE 36 -6.516 -2.746 0.600
250 HA PHE 36 HA PHE 36 -7.415 -5.459 0.199
251 1HB PHE 36 HB2 PHE 36 -8.205 -3.138 1.850
252 2HB PHE 36 HB1 PHE 36 -9.524 -4.233 1.436
253 HD1 PHE 36 HD1 PHE 36 -7.515 -3.605 4.037
254 HD2 PHE 36 HD2 PHE 36 -8.317 -6.851 1.341
255 HE1 PHE 36 HE1 PHE 36 -6.719 -5.219 5.743
256 HE2 PHE 36 HE2 PHE 36 -7.522 -8.465 3.046
257 HZ PHE 36 HZ PHE 36 -6.722 -7.650 5.248
258 H GLY 37 HN GLY 37 -8.901 -2.306 -0.632
259 1HA GLY 37 HA2 GLY 37 -10.434 -1.763 -2.322
260 2HA GLY 37 HA1 GLY 37 -9.814 -3.166 -3.194
261 H ARG 38 HN ARG 38 -10.954 -3.927 -0.075
262 HA ARG 38 HA ARG 38 -13.732 -4.142 -0.361
263 1HB ARG 38 HB2 ARG 38 -13.852 -6.624 -1.039
264 2HB ARG 38 HB1 ARG 38 -13.544 -5.461 -2.330
265 1HG ARG 38 HG2 ARG 38 -11.115 -5.899 -2.132
266 2HG ARG 38 HG1 ARG 38 -11.441 -7.086 -0.869
267 1HD ARG 38 HD2 ARG 38 -12.642 -7.258 -3.643
268 2HD ARG 38 HD1 ARG 38 -11.134 -8.055 -3.195
269 HE ARG 38 HE ARG 38 -13.113 -8.780 -1.284
270 1HH1 ARG 38 HH11 ARG 38 -11.322 -10.146 -3.641
271 2HH1 ARG 38 HH12 ARG 38 -12.523 -11.250 -4.223
272 1HH2 ARG 38 HH21 ARG 38 -15.114 -9.780 -2.450
273 2HH2 ARG 38 HH22 ARG 38 -14.669 -11.043 -3.548
Start of MODEL 14
1 1H THR 4 HT1 THR 4 2.563 -5.935 -7.402
2 2H THR 4 HT2 THR 4 2.561 -5.853 -5.705
3 3H THR 4 HT3 THR 4 3.892 -5.268 -6.585
4 HA THR 4 HA THR 4 1.699 -3.919 -7.585
5 HB THR 4 HB THR 4 1.746 -3.493 -4.620
6 HG1 THR 4 HG1 THR 4 -0.219 -4.982 -4.818
7 1HG2 THR 4 HG21 THR 4 -0.833 -3.375 -5.815
8 2HG2 THR 4 HG22 THR 4 0.288 -2.561 -6.905
9 3HG2 THR 4 HG23 THR 4 0.151 -2.034 -5.228
10 H ILE 5 HN ILE 5 1.961 -1.509 -6.289
11 HA ILE 5 HA ILE 5 4.524 -0.598 -7.128
12 HB ILE 5 HB ILE 5 3.017 0.874 -5.028
13 1HG1 ILE 5 HG12 ILE 5 2.072 0.292 -7.836
14 2HG1 ILE 5 HG11 ILE 5 1.161 0.159 -6.332
15 1HG2 ILE 5 HG21 ILE 5 5.134 1.451 -6.708
16 2HG2 ILE 5 HG22 ILE 5 4.148 2.641 -5.858
17 3HG2 ILE 5 HG23 ILE 5 3.761 2.201 -7.521
18 1HD1 ILE 5 HD11 ILE 5 1.373 2.653 -6.065
19 2HD1 ILE 5 HD12 ILE 5 0.428 2.167 -7.472
20 3HD1 ILE 5 HD13 ILE 5 2.093 2.713 -7.674
21 H SER 6 HN SER 6 6.226 0.323 -5.717
22 HA SER 6 HA SER 6 6.676 -1.444 -3.378
23 1HB SER 6 HB2 SER 6 8.390 -0.836 -5.324
24 2HB SER 6 HB1 SER 6 8.700 0.560 -4.296
25 HG SER 6 HG SER 6 9.853 -1.633 -3.987
26 H CYS 7 HN CYS 7 7.069 -0.591 -1.292
27 HA CYS 7 HA CYS 7 6.792 2.338 -0.931
28 1HB CYS 7 HB2 CYS 7 5.087 1.852 0.919
29 2HB CYS 7 HB1 CYS 7 4.505 1.687 -0.738
30 H THR 8 HN THR 8 6.898 2.716 1.624
31 HA THR 8 HA THR 8 8.786 0.786 2.867
32 HB THR 8 HB THR 8 10.259 2.419 1.856
33 HG1 THR 8 HG1 THR 8 11.160 2.173 3.741
34 1HG2 THR 8 HG21 THR 8 9.731 4.603 1.597
35 2HG2 THR 8 HG22 THR 8 9.249 4.770 3.285
36 3HG2 THR 8 HG23 THR 8 8.107 4.138 2.099
37 H ASN 9 HN ASN 9 5.932 2.116 3.142
38 HA ASN 9 HA ASN 9 5.942 2.039 6.061
39 1HB ASN 9 HB2 ASN 9 6.479 4.508 4.959
40 2HB ASN 9 HB1 ASN 9 4.726 4.561 5.147
41 1HD2 ASN 9 HD21 ASN 9 4.151 5.420 7.143
42 2HD2 ASN 9 HD22 ASN 9 5.011 5.197 8.588
43 H GLU 10 HN GLU 10 3.670 2.259 6.896
44 HA GLU 10 HA GLU 10 1.838 0.777 5.249
45 1HB GLU 10 HB2 GLU 10 1.974 1.064 7.867
46 2HB GLU 10 HB1 GLU 10 0.903 2.432 7.572
47 1HG GLU 10 HG2 GLU 10 -0.707 0.990 6.448
48 2HG GLU 10 HG1 GLU 10 0.386 -0.387 6.586
49 H LYS 11 HN LYS 11 1.905 4.209 6.245
50 HA LYS 11 HA LYS 11 -0.435 4.927 4.726
51 1HB LYS 11 HB2 LYS 11 0.755 6.198 6.671
52 2HB LYS 11 HB1 LYS 11 1.766 6.868 5.390
53 1HG LYS 11 HG2 LYS 11 -0.249 7.666 4.212
54 2HG LYS 11 HG1 LYS 11 -1.262 7.003 5.495
55 1HD LYS 11 HD2 LYS 11 -0.911 9.402 5.865
56 2HD LYS 11 HD1 LYS 11 -0.114 8.472 7.135
57 1HE LYS 11 HE2 LYS 11 1.657 8.844 4.868
58 2HE LYS 11 HE1 LYS 11 1.076 10.396 5.469
59 1HZ LYS 11 HZ1 LYS 11 3.141 9.184 6.530
60 2HZ LYS 11 HZ2 LYS 11 1.929 8.412 7.438
61 3HZ LYS 11 HZ3 LYS 11 2.070 10.105 7.469
62 H GLN 12 HN GLN 12 2.611 3.996 3.673
63 HA GLN 12 HA GLN 12 3.011 5.869 1.518
64 1HB GLN 12 HB2 GLN 12 4.042 3.105 2.119
65 2HB GLN 12 HB1 GLN 12 4.390 3.873 0.570
66 1HG GLN 12 HG2 GLN 12 5.021 5.029 3.303
67 2HG GLN 12 HG1 GLN 12 6.192 4.347 2.173
68 1HE2 GLN 12 HE21 GLN 12 6.839 5.640 0.357
69 2HE2 GLN 12 HE22 GLN 12 6.337 7.248 0.154
70 H CYS 13 HN CYS 13 0.993 3.033 1.888
71 HA CYS 13 HA CYS 13 0.327 3.182 -1.025
72 1HB CYS 13 HB2 CYS 13 -0.554 0.959 0.807
73 2HB CYS 13 HB1 CYS 13 -0.322 0.925 -0.941
74 H TYR 14 HN TYR 14 -0.684 4.639 1.618
75 HA TYR 14 HA TYR 14 -3.508 3.961 1.680
76 1HB TYR 14 HB2 TYR 14 -1.706 5.840 3.055
77 2HB TYR 14 HB1 TYR 14 -3.341 6.456 2.816
78 HD1 TYR 14 HD1 TYR 14 -2.047 2.989 3.430
79 HD2 TYR 14 HD2 TYR 14 -4.509 6.220 4.828
80 HE1 TYR 14 HE1 TYR 14 -2.858 1.567 5.295
81 HE2 TYR 14 HE2 TYR 14 -5.317 4.799 6.691
82 HH TYR 14 HH TYR 14 -5.435 1.923 6.888
83 HA PRO 15 HA PRO 15 -3.959 8.034 -0.766
84 1HB PRO 15 HB2 PRO 15 -1.666 9.195 -1.740
85 2HB PRO 15 HB1 PRO 15 -2.360 9.569 -0.154
86 1HG PRO 15 HG2 PRO 15 0.047 7.941 -0.811
87 2HG PRO 15 HG1 PRO 15 -0.332 8.835 0.670
88 1HD PRO 15 HD2 PRO 15 -0.570 6.037 0.306
89 2HD PRO 15 HD1 PRO 15 -1.229 6.976 1.662
90 H HIS 16 HN HIS 16 -1.436 5.809 -1.849
91 HA HIS 16 HA HIS 16 -1.976 6.318 -4.675
92 1HB HIS 16 HB2 HIS 16 0.072 5.414 -4.867
93 2HB HIS 16 HB1 HIS 16 0.075 5.043 -3.149
94 HD1 HIS 16 HD1 HIS 16 -1.341 3.510 -6.356
95 HD2 HIS 16 HD2 HIS 16 0.241 2.327 -2.685
96 HE1 HIS 16 HE1 HIS 16 -1.229 0.980 -6.405
97 H CYS 17 HN CYS 17 -2.652 3.609 -2.426
98 HA CYS 17 HA CYS 17 -4.192 2.205 -4.469
99 1HB CYS 17 HB2 CYS 17 -3.332 1.703 -1.694
100 2HB CYS 17 HB1 CYS 17 -4.893 1.003 -2.119
101 H LYS 18 HN LYS 18 -4.970 4.358 -1.760
102 HA LYS 18 HA LYS 18 -7.750 3.793 -1.616
103 1HB LYS 18 HB2 LYS 18 -6.547 5.246 0.005
104 2HB LYS 18 HB1 LYS 18 -6.419 6.492 -1.238
105 1HG LYS 18 HG2 LYS 18 -8.999 6.257 -1.427
106 2HG LYS 18 HG1 LYS 18 -8.891 5.451 0.139
107 1HD LYS 18 HD2 LYS 18 -7.524 7.494 0.903
108 2HD LYS 18 HD1 LYS 18 -8.117 8.286 -0.557
109 1HE LYS 18 HE2 LYS 18 -10.273 8.413 0.221
110 2HE LYS 18 HE1 LYS 18 -10.148 6.899 1.117
111 1HZ LYS 18 HZ1 LYS 18 -9.965 9.449 2.140
112 2HZ LYS 18 HZ2 LYS 18 -8.377 8.849 2.171
113 3HZ LYS 18 HZ3 LYS 18 -9.624 7.999 2.950
114 H LYS 19 HN LYS 19 -5.989 6.081 -3.716
115 HA LYS 19 HA LYS 19 -8.459 6.927 -5.034
116 1HB LYS 19 HB2 LYS 19 -6.482 8.430 -4.767
117 2HB LYS 19 HB1 LYS 19 -5.589 7.395 -5.883
118 1HG LYS 19 HG2 LYS 19 -6.449 9.133 -7.247
119 2HG LYS 19 HG1 LYS 19 -7.543 7.776 -7.518
120 1HD LYS 19 HD2 LYS 19 -9.291 8.811 -6.484
121 2HD LYS 19 HD1 LYS 19 -8.260 9.529 -5.247
122 1HE LYS 19 HE2 LYS 19 -7.382 10.930 -7.358
123 2HE LYS 19 HE1 LYS 19 -9.012 10.581 -7.934
124 1HZ LYS 19 HZ1 LYS 19 -9.600 12.326 -6.703
125 2HZ LYS 19 HZ2 LYS 19 -8.148 12.331 -5.822
126 3HZ LYS 19 HZ3 LYS 19 -9.419 11.302 -5.364
127 H GLU 20 HN GLU 20 -5.880 4.601 -5.701
128 HA GLU 20 HA GLU 20 -6.653 4.171 -8.461
129 1HB GLU 20 HB2 GLU 20 -4.455 3.523 -7.008
130 2HB GLU 20 HB1 GLU 20 -5.297 1.973 -7.012
131 1HG GLU 20 HG2 GLU 20 -5.585 2.345 -9.549
132 2HG GLU 20 HG1 GLU 20 -4.350 3.592 -9.377
133 H THR 21 HN THR 21 -6.934 1.977 -5.645
134 HA THR 21 HA THR 21 -9.045 0.480 -7.053
135 HB THR 21 HB THR 21 -8.894 -0.632 -4.556
136 HG1 THR 21 HG1 THR 21 -6.279 0.220 -5.206
137 1HG2 THR 21 HG21 THR 21 -7.958 -1.183 -7.214
138 2HG2 THR 21 HG22 THR 21 -8.390 -2.325 -5.941
139 3HG2 THR 21 HG23 THR 21 -6.740 -1.714 -6.053
140 H GLY 22 HN GLY 22 -8.735 2.682 -4.303
141 1HA GLY 22 HA2 GLY 22 -10.720 4.103 -3.811
142 2HA GLY 22 HA1 GLY 22 -11.722 2.684 -4.123
143 H TYR 23 HN TYR 23 -9.573 1.043 -2.672
144 HA TYR 23 HA TYR 23 -10.681 1.531 0.039
145 1HB TYR 23 HB2 TYR 23 -9.552 -0.828 -1.399
146 2HB TYR 23 HB1 TYR 23 -9.341 -0.765 0.351
147 HD1 TYR 23 HD1 TYR 23 -12.167 0.583 -1.682
148 HD2 TYR 23 HD2 TYR 23 -10.876 -2.385 1.143
149 HE1 TYR 23 HE1 TYR 23 -14.518 -0.141 -1.368
150 HE2 TYR 23 HE2 TYR 23 -13.227 -3.109 1.456
151 HH TYR 23 HH TYR 23 -15.468 -2.871 -0.279
152 HA PRO 24 HA PRO 24 -6.646 3.299 0.905
153 1HB PRO 24 HB2 PRO 24 -7.347 4.242 3.393
154 2HB PRO 24 HB1 PRO 24 -7.732 5.086 1.883
155 1HG PRO 24 HG2 PRO 24 -9.533 3.511 3.668
156 2HG PRO 24 HG1 PRO 24 -9.924 4.856 2.584
157 1HD PRO 24 HD2 PRO 24 -10.397 2.128 2.044
158 2HD PRO 24 HD1 PRO 24 -10.421 3.441 0.847
159 H ASN 25 HN ASN 25 -8.435 0.891 2.639
160 HA ASN 25 HA ASN 25 -6.602 0.320 4.755
161 1HB ASN 25 HB2 ASN 25 -8.666 -1.322 3.287
162 2HB ASN 25 HB1 ASN 25 -7.652 -2.042 4.539
163 1HD2 ASN 25 HD21 ASN 25 -10.435 -0.048 3.980
164 2HD2 ASN 25 HD22 ASN 25 -10.740 0.348 5.603
165 H ALA 26 HN ALA 26 -4.473 0.399 3.867
166 HA ALA 26 HA ALA 26 -3.727 -2.071 2.390
167 1HB ALA 26 HB1 ALA 26 -3.998 -0.155 0.762
168 2HB ALA 26 HB2 ALA 26 -2.382 -0.860 0.792
169 3HB ALA 26 HB3 ALA 26 -2.691 0.669 1.614
170 H LYS 27 HN LYS 27 -1.729 -2.883 3.023
171 HA LYS 27 HA LYS 27 -0.241 -1.269 5.058
172 1HB LYS 27 HB2 LYS 27 -0.421 -4.291 4.912
173 2HB LYS 27 HB1 LYS 27 0.309 -3.333 6.201
174 1HG LYS 27 HG2 LYS 27 -1.683 -3.076 7.217
175 2HG LYS 27 HG1 LYS 27 -2.411 -2.471 5.729
176 1HD LYS 27 HD2 LYS 27 -3.545 -4.527 6.487
177 2HD LYS 27 HD1 LYS 27 -2.737 -4.786 4.941
178 1HE LYS 27 HE2 LYS 27 -1.046 -5.322 7.295
179 2HE LYS 27 HE1 LYS 27 -2.430 -6.402 7.135
180 1HZ LYS 27 HZ1 LYS 27 -0.048 -6.252 5.558
181 2HZ LYS 27 HZ2 LYS 27 -1.453 -6.199 4.602
182 3HZ LYS 27 HZ3 LYS 27 -1.194 -7.498 5.667
183 H CYS 28 HN CYS 28 2.036 -1.286 4.892
184 HA CYS 28 HA CYS 28 3.052 -2.277 2.278
185 1HB CYS 28 HB2 CYS 28 3.407 0.123 2.895
186 2HB CYS 28 HB1 CYS 28 4.389 -0.412 4.260
187 H MET 29 HN MET 29 4.484 -3.943 2.186
188 HA MET 29 HA MET 29 5.988 -4.720 4.618
189 1HB MET 29 HB2 MET 29 3.625 -6.034 3.886
190 2HB MET 29 HB1 MET 29 4.913 -7.069 3.271
191 1HG MET 29 HG2 MET 29 5.597 -6.108 5.908
192 2HG MET 29 HG1 MET 29 4.011 -6.879 5.938
193 1HE MET 29 HE1 MET 29 7.200 -6.984 6.543
194 2HE MET 29 HE2 MET 29 8.048 -8.401 5.930
195 3HE MET 29 HE3 MET 29 7.005 -8.550 7.342
196 H ASN 30 HN ASN 30 7.988 -5.594 4.100
197 HA ASN 30 HA ASN 30 9.868 -5.842 2.691
198 1HB ASN 30 HB2 ASN 30 7.776 -7.800 1.944
199 2HB ASN 30 HB1 ASN 30 9.063 -7.582 0.756
200 1HD2 ASN 30 HD21 ASN 30 8.984 -7.660 4.374
201 2HD2 ASN 30 HD22 ASN 30 10.248 -8.784 4.518
202 H ARG 31 HN ARG 31 9.137 -3.465 2.004
203 HA ARG 31 HA ARG 31 8.768 -1.906 0.270
204 1HB ARG 31 HB2 ARG 31 10.321 -3.912 -1.375
205 2HB ARG 31 HB1 ARG 31 10.332 -2.153 -1.510
206 1HG ARG 31 HG2 ARG 31 11.057 -3.091 1.171
207 2HG ARG 31 HG1 ARG 31 12.164 -3.661 -0.079
208 1HD ARG 31 HD2 ARG 31 11.395 -0.839 -0.383
209 2HD ARG 31 HD1 ARG 31 12.278 -1.177 1.106
210 HE ARG 31 HE ARG 31 13.343 -1.421 -1.631
211 1HH1 ARG 31 HH21 ARG 31 14.435 -0.302 1.128
212 2HH1 ARG 31 HH22 ARG 31 15.781 -1.370 1.339
213 1HH2 ARG 31 HH11 ARG 31 14.740 -3.593 -1.114
214 2HH2 ARG 31 HH12 ARG 31 15.954 -3.235 0.069
215 H LYS 32 HN LYS 32 6.470 -3.375 0.468
216 HA LYS 32 HA LYS 32 5.663 -3.569 -2.379
217 1HB LYS 32 HB2 LYS 32 6.245 -5.874 -0.997
218 2HB LYS 32 HB1 LYS 32 4.510 -5.711 -0.719
219 1HG LYS 32 HG2 LYS 32 4.352 -6.745 -2.749
220 2HG LYS 32 HG1 LYS 32 4.635 -5.118 -3.369
221 1HD LYS 32 HD2 LYS 32 6.479 -5.915 -4.389
222 2HD LYS 32 HD1 LYS 32 7.190 -6.126 -2.788
223 1HE LYS 32 HE2 LYS 32 6.233 -8.385 -2.640
224 2HE LYS 32 HE1 LYS 32 5.479 -8.178 -4.221
225 1HZ LYS 32 HZ1 LYS 32 8.125 -7.532 -4.580
226 2HZ LYS 32 HZ2 LYS 32 7.349 -8.957 -5.086
227 3HZ LYS 32 HZ3 LYS 32 8.151 -8.907 -3.589
228 H CYS 33 HN CYS 33 3.519 -2.925 -2.698
229 HA CYS 33 HA CYS 33 2.161 -1.833 -0.289
230 1HB CYS 33 HB2 CYS 33 2.038 -1.270 -3.229
231 2HB CYS 33 HB1 CYS 33 0.617 -0.918 -2.248
232 H LYS 34 HN LYS 34 1.198 -3.724 0.577
233 HA LYS 34 HA LYS 34 -0.518 -5.360 -1.191
234 1HB LYS 34 HB2 LYS 34 0.920 -5.836 1.207
235 2HB LYS 34 HB1 LYS 34 -0.789 -6.011 1.602
236 1HG LYS 34 HG2 LYS 34 -0.265 -7.243 -0.949
237 2HG LYS 34 HG1 LYS 34 0.859 -7.876 0.252
238 1HD LYS 34 HD2 LYS 34 -0.780 -9.143 1.120
239 2HD LYS 34 HD1 LYS 34 -1.709 -7.688 1.482
240 1HE LYS 34 HE2 LYS 34 -3.197 -8.287 -0.094
241 2HE LYS 34 HE1 LYS 34 -1.933 -8.115 -1.311
242 1HZ LYS 34 HZ1 LYS 34 -3.176 -10.446 -0.523
243 2HZ LYS 34 HZ2 LYS 34 -1.612 -10.532 0.134
244 3HZ LYS 34 HZ3 LYS 34 -1.825 -10.302 -1.537
245 H CYS 35 HN CYS 35 -2.202 -3.887 -1.697
246 HA CYS 35 HA CYS 35 -3.693 -2.642 0.528
247 1HB CYS 35 HB2 CYS 35 -4.521 -2.541 -2.364
248 2HB CYS 35 HB1 CYS 35 -4.762 -1.334 -1.101
249 H PHE 36 HN PHE 36 -6.174 -2.837 0.362
250 HA PHE 36 HA PHE 36 -6.828 -5.711 0.286
251 1HB PHE 36 HB2 PHE 36 -8.358 -3.250 1.163
252 2HB PHE 36 HB1 PHE 36 -9.080 -4.856 1.130
253 HD1 PHE 36 HD1 PHE 36 -9.229 -3.871 3.686
254 HD2 PHE 36 HD2 PHE 36 -5.711 -5.422 1.768
255 HE1 PHE 36 HE1 PHE 36 -8.237 -4.364 5.904
256 HE2 PHE 36 HE2 PHE 36 -4.721 -5.915 3.986
257 HZ PHE 36 HZ PHE 36 -5.983 -5.386 6.054
258 H GLY 37 HN GLY 37 -7.585 -2.739 -1.462
259 1HA GLY 37 HA2 GLY 37 -8.923 -2.389 -3.376
260 2HA GLY 37 HA1 GLY 37 -8.101 -3.845 -3.941
261 H ARG 38 HN ARG 38 -10.291 -3.752 -1.173
262 HA ARG 38 HA ARG 38 -11.936 -5.828 -2.462
263 1HB ARG 38 HB2 ARG 38 -11.300 -5.067 0.228
264 2HB ARG 38 HB1 ARG 38 -13.053 -5.007 0.028
265 1HG ARG 38 HG2 ARG 38 -12.060 -7.345 -1.304
266 2HG ARG 38 HG1 ARG 38 -11.414 -7.313 0.337
267 1HD ARG 38 HD2 ARG 38 -13.411 -7.986 1.120
268 2HD ARG 38 HD1 ARG 38 -14.138 -6.508 0.490
269 HE ARG 38 HE ARG 38 -13.823 -8.924 -1.243
270 1HH1 ARG 38 HH21 ARG 38 -15.994 -7.297 0.740
271 2HH1 ARG 38 HH22 ARG 38 -17.260 -7.189 -0.439
272 1HH2 ARG 38 HH11 ARG 38 -15.299 -8.384 -3.039
273 2HH2 ARG 38 HH12 ARG 38 -16.864 -7.799 -2.581
Start of MODEL 15
1 1H THR 4 HT1 THR 4 4.933 -3.422 -6.923
2 2H THR 4 HT2 THR 4 5.241 -3.116 -5.280
3 3H THR 4 HT3 THR 4 6.274 -2.487 -6.473
4 HA THR 4 HA THR 4 3.912 -1.475 -7.248
5 HB THR 4 HB THR 4 3.910 -0.989 -4.298
6 HG1 THR 4 HG1 THR 4 2.524 -3.151 -5.472
7 1HG2 THR 4 HG21 THR 4 2.265 -0.438 -6.596
8 2HG2 THR 4 HG22 THR 4 2.095 0.165 -4.948
9 3HG2 THR 4 HG23 THR 4 1.334 -1.356 -5.413
10 H ILE 5 HN ILE 5 3.927 0.832 -5.379
11 HA ILE 5 HA ILE 5 6.106 2.290 -6.542
12 HB ILE 5 HB ILE 5 5.363 4.002 -4.777
13 1HG1 ILE 5 HG12 ILE 5 2.992 2.186 -4.456
14 2HG1 ILE 5 HG11 ILE 5 4.373 2.051 -3.367
15 1HG2 ILE 5 HG21 ILE 5 4.047 4.750 -6.441
16 2HG2 ILE 5 HG22 ILE 5 2.878 3.464 -6.142
17 3HG2 ILE 5 HG23 ILE 5 4.242 3.182 -7.224
18 1HD1 ILE 5 HD11 ILE 5 2.824 4.604 -3.892
19 2HD1 ILE 5 HD12 ILE 5 4.156 4.412 -2.753
20 3HD1 ILE 5 HD13 ILE 5 2.628 3.579 -2.470
21 H SER 6 HN SER 6 7.364 3.725 -4.682
22 HA SER 6 HA SER 6 8.892 1.684 -3.157
23 1HB SER 6 HB2 SER 6 10.629 3.355 -2.991
24 2HB SER 6 HB1 SER 6 10.060 3.355 -4.658
25 HG SER 6 HG SER 6 10.182 5.395 -3.068
26 H CYS 7 HN CYS 7 7.592 1.342 -1.322
27 HA CYS 7 HA CYS 7 7.120 3.768 0.364
28 1HB CYS 7 HB2 CYS 7 5.148 2.690 1.260
29 2HB CYS 7 HB1 CYS 7 5.040 2.649 -0.498
30 H THR 8 HN THR 8 7.224 3.397 2.681
31 HA THR 8 HA THR 8 8.697 0.958 3.528
32 HB THR 8 HB THR 8 10.561 2.350 3.399
33 HG1 THR 8 HG1 THR 8 10.876 2.098 5.448
34 1HG2 THR 8 HG21 THR 8 9.655 4.353 2.556
35 2HG2 THR 8 HG22 THR 8 10.334 4.832 4.111
36 3HG2 THR 8 HG23 THR 8 8.597 4.566 3.951
37 H ASN 9 HN ASN 9 5.975 2.470 3.794
38 HA ASN 9 HA ASN 9 5.554 1.732 6.598
39 1HB ASN 9 HB2 ASN 9 6.425 4.166 6.528
40 2HB ASN 9 HB1 ASN 9 4.871 4.563 5.794
41 1HD2 ASN 9 HD21 ASN 9 6.161 2.768 8.652
42 2HD2 ASN 9 HD22 ASN 9 4.905 3.237 9.693
43 H GLU 10 HN GLU 10 3.260 1.591 7.081
44 HA GLU 10 HA GLU 10 1.641 0.758 4.887
45 1HB GLU 10 HB2 GLU 10 -0.217 0.769 6.542
46 2HB GLU 10 HB1 GLU 10 1.228 -0.020 7.172
47 1HG GLU 10 HG2 GLU 10 1.242 2.854 7.681
48 2HG GLU 10 HG1 GLU 10 -0.160 2.060 8.399
49 H LYS 11 HN LYS 11 2.257 3.905 6.196
50 HA LYS 11 HA LYS 11 -0.186 5.163 5.276
51 1HB LYS 11 HB2 LYS 11 1.084 6.257 7.010
52 2HB LYS 11 HB1 LYS 11 2.537 6.272 6.009
53 1HG LYS 11 HG2 LYS 11 1.806 8.032 4.728
54 2HG LYS 11 HG1 LYS 11 0.111 7.564 4.864
55 1HD LYS 11 HD2 LYS 11 0.113 9.439 6.223
56 2HD LYS 11 HD1 LYS 11 0.501 8.198 7.418
57 1HE LYS 11 HE2 LYS 11 2.649 9.681 5.892
58 2HE LYS 11 HE1 LYS 11 1.996 10.283 7.417
59 1HZ LYS 11 HZ1 LYS 11 3.952 8.335 7.043
60 2HZ LYS 11 HZ2 LYS 11 2.589 7.552 7.687
61 3HZ LYS 11 HZ3 LYS 11 3.280 8.869 8.506
62 H GLN 12 HN GLN 12 2.964 4.515 3.832
63 HA GLN 12 HA GLN 12 2.654 6.269 1.574
64 1HB GLN 12 HB2 GLN 12 4.462 4.058 2.358
65 2HB GLN 12 HB1 GLN 12 4.299 4.332 0.624
66 1HG GLN 12 HG2 GLN 12 5.864 5.945 0.923
67 2HG GLN 12 HG1 GLN 12 4.538 6.899 1.590
68 1HE2 GLN 12 HE21 GLN 12 4.152 6.480 4.058
69 2HE2 GLN 12 HE22 GLN 12 5.539 6.279 5.016
70 H CYS 13 HN CYS 13 1.022 3.399 2.379
71 HA CYS 13 HA CYS 13 0.345 2.956 -0.505
72 1HB CYS 13 HB2 CYS 13 -0.044 0.957 1.732
73 2HB CYS 13 HB1 CYS 13 -0.092 0.661 -0.005
74 H TYR 14 HN TYR 14 -0.839 4.227 2.362
75 HA TYR 14 HA TYR 14 -3.555 3.299 2.317
76 1HB TYR 14 HB2 TYR 14 -2.035 5.429 3.663
77 2HB TYR 14 HB1 TYR 14 -3.731 5.824 3.381
78 HD1 TYR 14 HD1 TYR 14 -2.115 2.511 4.024
79 HD2 TYR 14 HD2 TYR 14 -4.800 5.542 5.457
80 HE1 TYR 14 HE1 TYR 14 -2.775 1.037 5.905
81 HE2 TYR 14 HE2 TYR 14 -5.460 4.068 7.338
82 HH TYR 14 HH TYR 14 -5.483 1.680 7.878
83 HA PRO 15 HA PRO 15 -4.487 7.200 -0.281
84 1HB PRO 15 HB2 PRO 15 -2.345 8.641 -1.219
85 2HB PRO 15 HB1 PRO 15 -3.127 8.957 0.339
86 1HG PRO 15 HG2 PRO 15 -0.509 7.634 -0.214
87 2HG PRO 15 HG1 PRO 15 -1.030 8.534 1.220
88 1HD PRO 15 HD2 PRO 15 -0.895 5.726 0.990
89 2HD PRO 15 HD1 PRO 15 -1.733 6.624 2.273
90 H HIS 16 HN HIS 16 -1.312 5.954 -1.368
91 HA HIS 16 HA HIS 16 -1.780 6.026 -4.140
92 1HB HIS 16 HB2 HIS 16 0.403 5.453 -3.773
93 2HB HIS 16 HB1 HIS 16 0.026 4.557 -2.305
94 HD1 HIS 16 HD1 HIS 16 -0.030 4.162 -6.082
95 HD2 HIS 16 HD2 HIS 16 -0.197 1.804 -2.651
96 HE1 HIS 16 HE1 HIS 16 0.132 1.757 -6.861
97 H CYS 17 HN CYS 17 -2.724 3.549 -1.767
98 HA CYS 17 HA CYS 17 -3.763 1.721 -3.760
99 1HB CYS 17 HB2 CYS 17 -3.972 1.964 -0.779
100 2HB CYS 17 HB1 CYS 17 -5.084 0.894 -1.629
101 H LYS 18 HN LYS 18 -5.477 3.783 -1.376
102 HA LYS 18 HA LYS 18 -8.077 3.460 -2.287
103 1HB LYS 18 HB2 LYS 18 -7.484 4.875 -0.352
104 2HB LYS 18 HB1 LYS 18 -6.794 6.077 -1.443
105 1HG LYS 18 HG2 LYS 18 -9.142 6.020 -2.589
106 2HG LYS 18 HG1 LYS 18 -9.677 5.307 -1.067
107 1HD LYS 18 HD2 LYS 18 -9.314 7.239 0.127
108 2HD LYS 18 HD1 LYS 18 -7.964 7.737 -0.892
109 1HE LYS 18 HE2 LYS 18 -9.619 8.210 -2.730
110 2HE LYS 18 HE1 LYS 18 -10.912 7.898 -1.571
111 1HZ LYS 18 HZ1 LYS 18 -9.287 9.624 -0.255
112 2HZ LYS 18 HZ2 LYS 18 -10.721 10.043 -1.064
113 3HZ LYS 18 HZ3 LYS 18 -9.222 10.202 -1.848
114 H LYS 19 HN LYS 19 -5.444 5.106 -3.869
115 HA LYS 19 HA LYS 19 -7.109 6.556 -5.765
116 1HB LYS 19 HB2 LYS 19 -4.323 6.394 -5.102
117 2HB LYS 19 HB1 LYS 19 -4.505 6.122 -6.835
118 1HG LYS 19 HG2 LYS 19 -4.474 8.422 -6.858
119 2HG LYS 19 HG1 LYS 19 -6.198 8.190 -6.571
120 1HD LYS 19 HD2 LYS 19 -5.528 9.750 -4.916
121 2HD LYS 19 HD1 LYS 19 -5.599 8.207 -4.063
122 1HE LYS 19 HE2 LYS 19 -3.525 9.282 -3.448
123 2HE LYS 19 HE1 LYS 19 -3.131 7.937 -4.518
124 1HZ LYS 19 HZ1 LYS 19 -3.645 10.522 -5.767
125 2HZ LYS 19 HZ2 LYS 19 -2.527 9.313 -6.187
126 3HZ LYS 19 HZ3 LYS 19 -2.196 10.368 -4.897
127 H GLU 20 HN GLU 20 -5.088 3.607 -5.987
128 HA GLU 20 HA GLU 20 -6.052 3.040 -8.687
129 1HB GLU 20 HB2 GLU 20 -4.246 1.658 -6.724
130 2HB GLU 20 HB1 GLU 20 -4.850 0.776 -8.126
131 1HG GLU 20 HG2 GLU 20 -3.412 3.443 -8.265
132 2HG GLU 20 HG1 GLU 20 -2.650 1.879 -8.560
133 H THR 21 HN THR 21 -7.497 2.736 -5.711
134 HA THR 21 HA THR 21 -9.383 0.726 -6.793
135 HB THR 21 HB THR 21 -9.315 -0.378 -4.431
136 HG1 THR 21 HG1 THR 21 -6.627 0.339 -4.468
137 1HG2 THR 21 HG21 THR 21 -6.795 -1.020 -5.852
138 2HG2 THR 21 HG22 THR 21 -8.260 -1.067 -6.834
139 3HG2 THR 21 HG23 THR 21 -8.132 -2.076 -5.394
140 H GLY 22 HN GLY 22 -8.666 2.471 -3.746
141 1HA GLY 22 HA2 GLY 22 -10.246 4.467 -3.370
142 2HA GLY 22 HA1 GLY 22 -11.534 3.312 -3.710
143 H TYR 23 HN TYR 23 -9.202 1.571 -2.173
144 HA TYR 23 HA TYR 23 -10.560 1.951 0.453
145 1HB TYR 23 HB2 TYR 23 -9.207 -0.397 -0.862
146 2HB TYR 23 HB1 TYR 23 -9.418 -0.351 0.889
147 HD1 TYR 23 HD1 TYR 23 -11.446 -1.047 1.834
148 HD2 TYR 23 HD2 TYR 23 -11.330 0.103 -2.303
149 HE1 TYR 23 HE1 TYR 23 -13.805 -1.764 1.569
150 HE2 TYR 23 HE2 TYR 23 -13.688 -0.615 -2.568
151 HH TYR 23 HH TYR 23 -15.377 -1.765 -1.602
152 HA PRO 24 HA PRO 24 -6.615 3.630 1.705
153 1HB PRO 24 HB2 PRO 24 -7.419 4.286 4.249
154 2HB PRO 24 HB1 PRO 24 -7.792 5.267 2.821
155 1HG PRO 24 HG2 PRO 24 -9.588 3.474 4.385
156 2HG PRO 24 HG1 PRO 24 -9.993 4.895 3.409
157 1HD PRO 24 HD2 PRO 24 -10.323 2.192 2.624
158 2HD PRO 24 HD1 PRO 24 -10.411 3.610 1.555
159 H ASN 25 HN ASN 25 -8.072 0.772 2.650
160 HA ASN 25 HA ASN 25 -6.321 0.173 4.927
161 1HB ASN 25 HB2 ASN 25 -8.748 -0.832 4.032
162 2HB ASN 25 HB1 ASN 25 -7.606 -2.117 3.628
163 1HD2 ASN 25 HD21 ASN 25 -8.928 -0.213 6.328
164 2HD2 ASN 25 HD22 ASN 25 -8.367 -1.246 7.553
165 H ALA 26 HN ALA 26 -4.325 0.658 3.633
166 HA ALA 26 HA ALA 26 -3.508 -1.751 2.057
167 1HB ALA 26 HB1 ALA 26 -2.005 -0.217 0.773
168 2HB ALA 26 HB2 ALA 26 -2.727 1.148 1.623
169 3HB ALA 26 HB3 ALA 26 -3.713 0.157 0.549
170 H LYS 27 HN LYS 27 -1.324 -2.447 2.403
171 HA LYS 27 HA LYS 27 0.014 -1.166 4.754
172 1HB LYS 27 HB2 LYS 27 -0.739 -3.995 4.253
173 2HB LYS 27 HB1 LYS 27 0.863 -3.732 4.940
174 1HG LYS 27 HG2 LYS 27 -0.219 -3.636 6.932
175 2HG LYS 27 HG1 LYS 27 -0.680 -2.010 6.428
176 1HD LYS 27 HD2 LYS 27 -2.821 -2.713 6.622
177 2HD LYS 27 HD1 LYS 27 -2.536 -3.626 5.141
178 1HE LYS 27 HE2 LYS 27 -1.810 -5.569 6.453
179 2HE LYS 27 HE1 LYS 27 -2.031 -4.660 7.948
180 1HZ LYS 27 HZ1 LYS 27 -4.414 -4.324 6.937
181 2HZ LYS 27 HZ2 LYS 27 -4.022 -5.719 7.825
182 3HZ LYS 27 HZ3 LYS 27 -4.037 -5.767 6.127
183 H CYS 28 HN CYS 28 2.269 -0.985 4.616
184 HA CYS 28 HA CYS 28 3.408 -1.516 1.919
185 1HB CYS 28 HB2 CYS 28 3.670 0.771 2.768
186 2HB CYS 28 HB1 CYS 28 4.442 0.158 4.229
187 H MET 29 HN MET 29 4.155 -3.624 1.903
188 HA MET 29 HA MET 29 5.977 -4.401 4.149
189 1HB MET 29 HB2 MET 29 3.767 -5.845 2.813
190 2HB MET 29 HB1 MET 29 5.235 -6.790 3.064
191 1HG MET 29 HG2 MET 29 4.609 -5.203 5.413
192 2HG MET 29 HG1 MET 29 3.254 -6.243 4.973
193 1HE MET 29 HE1 MET 29 4.788 -6.255 7.540
194 2HE MET 29 HE2 MET 29 5.338 -7.885 7.913
195 3HE MET 29 HE3 MET 29 3.675 -7.622 7.396
196 H ASN 30 HN ASN 30 8.031 -4.257 3.372
197 HA ASN 30 HA ASN 30 9.879 -4.584 1.968
198 1HB ASN 30 HB2 ASN 30 8.439 -6.930 1.892
199 2HB ASN 30 HB1 ASN 30 8.547 -6.508 0.183
200 1HD2 ASN 30 HD21 ASN 30 10.279 -7.909 2.789
201 2HD2 ASN 30 HD22 ASN 30 11.814 -7.926 2.063
202 H ARG 31 HN ARG 31 8.287 -2.417 1.305
203 HA ARG 31 HA ARG 31 7.918 -0.925 -0.465
204 1HB ARG 31 HB2 ARG 31 9.661 -2.943 -1.907
205 2HB ARG 31 HB1 ARG 31 9.170 -1.393 -2.589
206 1HG ARG 31 HG2 ARG 31 10.185 -0.294 -0.537
207 2HG ARG 31 HG1 ARG 31 10.871 -1.868 -0.131
208 1HD ARG 31 HD2 ARG 31 11.824 -1.859 -2.534
209 2HD ARG 31 HD1 ARG 31 11.453 -0.136 -2.534
210 HE ARG 31 HE ARG 31 13.436 0.108 -1.302
211 1HH1 ARG 31 HH21 ARG 31 12.240 -0.846 1.224
212 2HH1 ARG 31 HH22 ARG 31 13.233 -2.205 1.634
213 1HH2 ARG 31 HH11 ARG 31 14.576 -2.521 -1.546
214 2HH2 ARG 31 HH12 ARG 31 14.556 -3.152 0.067
215 H LYS 32 HN LYS 32 6.259 -3.516 -0.046
216 HA LYS 32 HA LYS 32 5.030 -3.578 -2.772
217 1HB LYS 32 HB2 LYS 32 5.011 -5.599 -0.518
218 2HB LYS 32 HB1 LYS 32 3.941 -5.715 -1.913
219 1HG LYS 32 HG2 LYS 32 5.762 -5.953 -3.425
220 2HG LYS 32 HG1 LYS 32 6.934 -5.439 -2.211
221 1HD LYS 32 HD2 LYS 32 6.672 -7.464 -0.963
222 2HD LYS 32 HD1 LYS 32 5.246 -7.930 -1.892
223 1HE LYS 32 HE2 LYS 32 6.536 -8.358 -3.851
224 2HE LYS 32 HE1 LYS 32 7.952 -7.545 -3.184
225 1HZ LYS 32 HZ1 LYS 32 8.582 -9.570 -2.554
226 2HZ LYS 32 HZ2 LYS 32 7.040 -10.240 -2.805
227 3HZ LYS 32 HZ3 LYS 32 7.400 -9.454 -1.343
228 H CYS 33 HN CYS 33 3.575 -1.858 -2.623
229 HA CYS 33 HA CYS 33 1.939 -1.430 -0.253
230 1HB CYS 33 HB2 CYS 33 1.998 -0.268 -3.032
231 2HB CYS 33 HB1 CYS 33 0.655 0.087 -1.945
232 H LYS 34 HN LYS 34 0.616 -3.196 0.178
233 HA LYS 34 HA LYS 34 -0.941 -4.391 -2.036
234 1HB LYS 34 HB2 LYS 34 0.163 -5.443 0.278
235 2HB LYS 34 HB1 LYS 34 -1.551 -5.321 0.676
236 1HG LYS 34 HG2 LYS 34 -2.180 -6.830 -0.950
237 2HG LYS 34 HG1 LYS 34 -0.836 -6.407 -2.011
238 1HD LYS 34 HD2 LYS 34 0.662 -7.792 -0.895
239 2HD LYS 34 HD1 LYS 34 -0.248 -7.729 0.615
240 1HE LYS 34 HE2 LYS 34 -2.031 -8.867 -1.208
241 2HE LYS 34 HE1 LYS 34 -0.480 -9.612 -1.598
242 1HZ LYS 34 HZ1 LYS 34 -1.886 -9.583 1.008
243 2HZ LYS 34 HZ2 LYS 34 -0.243 -9.995 0.866
244 3HZ LYS 34 HZ3 LYS 34 -1.427 -10.927 0.082
245 H CYS 35 HN CYS 35 -3.050 -3.873 -2.412
246 HA CYS 35 HA CYS 35 -4.356 -2.003 -0.493
247 1HB CYS 35 HB2 CYS 35 -5.307 -2.628 -3.291
248 2HB CYS 35 HB1 CYS 35 -5.654 -1.204 -2.310
249 H PHE 36 HN PHE 36 -6.094 -2.697 0.662
250 HA PHE 36 HA PHE 36 -7.054 -5.455 0.215
251 1HB PHE 36 HB2 PHE 36 -7.102 -3.497 2.445
252 2HB PHE 36 HB1 PHE 36 -8.501 -4.566 2.332
253 HD1 PHE 36 HD1 PHE 36 -4.762 -4.577 2.359
254 HD2 PHE 36 HD2 PHE 36 -8.368 -6.795 3.077
255 HE1 PHE 36 HE1 PHE 36 -3.430 -6.429 3.330
256 HE2 PHE 36 HE2 PHE 36 -7.036 -8.649 4.048
257 HZ PHE 36 HZ PHE 36 -4.566 -8.465 4.174
258 H GLY 37 HN GLY 37 -7.750 -2.936 -1.464
259 1HA GLY 37 HA2 GLY 37 -10.660 -2.752 -1.052
260 2HA GLY 37 HA1 GLY 37 -9.728 -1.873 -2.265
261 H ARG 38 HN ARG 38 -9.940 -5.380 -1.613
262 HA ARG 38 HA ARG 38 -11.496 -5.867 -4.029
263 1HB ARG 38 HB2 ARG 38 -8.557 -5.931 -4.108
264 2HB ARG 38 HB1 ARG 38 -9.310 -7.420 -4.680
265 1HG ARG 38 HG2 ARG 38 -10.134 -6.424 -6.544
266 2HG ARG 38 HG1 ARG 38 -10.623 -4.978 -5.661
267 1HD ARG 38 HD2 ARG 38 -8.747 -4.703 -7.408
268 2HD ARG 38 HD1 ARG 38 -8.462 -4.017 -5.809
269 HE ARG 38 HE ARG 38 -6.660 -5.510 -5.618
270 1HH1 ARG 38 HH11 ARG 38 -8.742 -6.440 -8.173
271 2HH1 ARG 38 HH12 ARG 38 -8.005 -7.990 -8.402
272 1HH2 ARG 38 HH21 ARG 38 -5.830 -7.647 -5.724
273 2HH2 ARG 38 HH22 ARG 38 -6.356 -8.673 -7.016
Start of MODEL 16
1 1H THR 4 HT1 THR 4 5.644 -3.126 -6.666
2 2H THR 4 HT2 THR 4 7.109 -2.749 -7.438
3 3H THR 4 HT3 THR 4 5.890 -3.580 -8.281
4 HA THR 4 HA THR 4 5.894 -1.313 -8.996
5 HB THR 4 HB THR 4 3.592 -1.915 -7.120
6 HG1 THR 4 HG1 THR 4 3.184 -3.383 -8.538
7 1HG2 THR 4 HG21 THR 4 3.408 -0.280 -9.628
8 2HG2 THR 4 HG22 THR 4 3.977 0.479 -8.141
9 3HG2 THR 4 HG23 THR 4 2.373 -0.251 -8.201
10 H ILE 5 HN ILE 5 4.094 -0.332 -6.262
11 HA ILE 5 HA ILE 5 5.726 1.948 -5.790
12 HB ILE 5 HB ILE 5 3.795 0.696 -3.863
13 1HG1 ILE 5 HG12 ILE 5 2.892 1.047 -6.228
14 2HG1 ILE 5 HG11 ILE 5 2.023 1.891 -4.948
15 1HG2 ILE 5 HG21 ILE 5 3.476 3.303 -3.512
16 2HG2 ILE 5 HG22 ILE 5 5.121 3.348 -4.149
17 3HG2 ILE 5 HG23 ILE 5 4.765 2.424 -2.688
18 1HD1 ILE 5 HD11 ILE 5 2.910 3.973 -5.533
19 2HD1 ILE 5 HD12 ILE 5 2.709 3.207 -7.108
20 3HD1 ILE 5 HD13 ILE 5 4.301 3.260 -6.352
21 H SER 6 HN SER 6 6.674 2.389 -3.518
22 HA SER 6 HA SER 6 7.767 -0.003 -2.185
23 1HB SER 6 HB2 SER 6 9.679 2.099 -3.214
24 2HB SER 6 HB1 SER 6 10.063 0.516 -2.542
25 HG SER 6 HG SER 6 10.142 0.133 -4.657
26 H CYS 7 HN CYS 7 7.557 0.419 -0.045
27 HA CYS 7 HA CYS 7 8.287 3.096 0.980
28 1HB CYS 7 HB2 CYS 7 6.088 2.997 2.374
29 2HB CYS 7 HB1 CYS 7 5.995 3.543 0.701
30 H THR 8 HN THR 8 7.725 2.937 3.551
31 HA THR 8 HA THR 8 8.642 0.251 4.482
32 HB THR 8 HB THR 8 10.579 1.732 4.543
33 HG1 THR 8 HG1 THR 8 9.792 1.866 7.195
34 1HG2 THR 8 HG21 THR 8 10.447 3.932 5.028
35 2HG2 THR 8 HG22 THR 8 9.531 3.627 6.504
36 3HG2 THR 8 HG23 THR 8 8.697 3.732 4.954
37 H ASN 9 HN ASN 9 6.043 1.898 4.379
38 HA ASN 9 HA ASN 9 5.136 1.141 7.064
39 1HB ASN 9 HB2 ASN 9 5.560 3.978 6.240
40 2HB ASN 9 HB1 ASN 9 4.083 3.610 7.131
41 1HD2 ASN 9 HD21 ASN 9 4.279 2.988 9.365
42 2HD2 ASN 9 HD22 ASN 9 5.756 3.043 10.200
43 H GLU 10 HN GLU 10 2.888 0.800 7.079
44 HA GLU 10 HA GLU 10 1.605 0.284 4.599
45 1HB GLU 10 HB2 GLU 10 0.098 0.925 7.134
46 2HB GLU 10 HB1 GLU 10 -0.326 -0.226 5.867
47 1HG GLU 10 HG2 GLU 10 1.972 -1.343 6.538
48 2HG GLU 10 HG1 GLU 10 1.704 -0.485 8.057
49 H LYS 11 HN LYS 11 1.763 3.194 6.549
50 HA LYS 11 HA LYS 11 -0.452 4.607 5.485
51 1HB LYS 11 HB2 LYS 11 0.915 5.388 7.405
52 2HB LYS 11 HB1 LYS 11 2.244 5.732 6.297
53 1HG LYS 11 HG2 LYS 11 0.095 7.010 5.104
54 2HG LYS 11 HG1 LYS 11 -0.185 7.281 6.824
55 1HD LYS 11 HD2 LYS 11 2.547 7.700 6.552
56 2HD LYS 11 HD1 LYS 11 1.877 8.409 5.082
57 1HE LYS 11 HE2 LYS 11 1.105 10.176 6.240
58 2HE LYS 11 HE1 LYS 11 0.209 9.108 7.322
59 1HZ LYS 11 HZ1 LYS 11 2.895 10.240 7.627
60 2HZ LYS 11 HZ2 LYS 11 2.576 8.719 8.316
61 3HZ LYS 11 HZ3 LYS 11 1.658 10.072 8.774
62 H GLN 12 HN GLN 12 2.830 4.191 4.210
63 HA GLN 12 HA GLN 12 2.687 6.093 2.108
64 1HB GLN 12 HB2 GLN 12 4.205 3.508 2.441
65 2HB GLN 12 HB1 GLN 12 4.352 4.475 0.973
66 1HG GLN 12 HG2 GLN 12 4.583 5.996 3.499
67 2HG GLN 12 HG1 GLN 12 5.891 4.851 3.194
68 1HE2 GLN 12 HE21 GLN 12 5.818 7.911 3.005
69 2HE2 GLN 12 HE22 GLN 12 6.391 8.248 1.443
70 H CYS 13 HN CYS 13 1.219 2.937 2.417
71 HA CYS 13 HA CYS 13 0.528 2.902 -0.468
72 1HB CYS 13 HB2 CYS 13 -0.213 0.865 1.647
73 2HB CYS 13 HB1 CYS 13 -0.229 0.648 -0.103
74 H TYR 14 HN TYR 14 -0.810 3.927 2.506
75 HA TYR 14 HA TYR 14 -3.547 3.383 2.233
76 1HB TYR 14 HB2 TYR 14 -1.931 5.403 3.617
77 2HB TYR 14 HB1 TYR 14 -3.564 5.943 3.226
78 HD1 TYR 14 HD1 TYR 14 -1.737 3.003 4.669
79 HD2 TYR 14 HD2 TYR 14 -5.346 5.323 4.602
80 HE1 TYR 14 HE1 TYR 14 -2.641 1.643 6.534
81 HE2 TYR 14 HE2 TYR 14 -6.255 3.965 6.468
82 HH TYR 14 HH TYR 14 -5.475 2.551 8.259
83 HA PRO 15 HA PRO 15 -4.040 7.298 -0.470
84 1HB PRO 15 HB2 PRO 15 -1.751 8.384 -1.538
85 2HB PRO 15 HB1 PRO 15 -2.446 8.886 0.014
86 1HG PRO 15 HG2 PRO 15 -0.041 7.197 -0.511
87 2HG PRO 15 HG1 PRO 15 -0.401 8.236 0.877
88 1HD PRO 15 HD2 PRO 15 -0.642 5.429 0.814
89 2HD PRO 15 HD1 PRO 15 -1.332 6.499 2.054
90 H HIS 16 HN HIS 16 -1.009 5.882 -1.749
91 HA HIS 16 HA HIS 16 -1.701 5.779 -4.443
92 1HB HIS 16 HB2 HIS 16 0.486 5.131 -4.106
93 2HB HIS 16 HB1 HIS 16 0.099 4.195 -2.667
94 HD1 HIS 16 HD1 HIS 16 -0.053 3.977 -6.449
95 HD2 HIS 16 HD2 HIS 16 -0.358 1.484 -3.124
96 HE1 HIS 16 HE1 HIS 16 -0.071 1.604 -7.335
97 H CYS 17 HN CYS 17 -2.871 3.751 -1.832
98 HA CYS 17 HA CYS 17 -4.046 1.768 -3.639
99 1HB CYS 17 HB2 CYS 17 -3.942 2.198 -0.698
100 2HB CYS 17 HB1 CYS 17 -5.332 1.308 -1.316
101 H LYS 18 HN LYS 18 -5.282 4.464 -1.651
102 HA LYS 18 HA LYS 18 -8.023 4.176 -2.088
103 1HB LYS 18 HB2 LYS 18 -6.515 6.081 -0.910
104 2HB LYS 18 HB1 LYS 18 -6.946 6.933 -2.393
105 1HG LYS 18 HG2 LYS 18 -9.328 5.715 -1.579
106 2HG LYS 18 HG1 LYS 18 -8.606 6.309 -0.083
107 1HD LYS 18 HD2 LYS 18 -9.021 7.964 -2.591
108 2HD LYS 18 HD1 LYS 18 -10.044 8.026 -1.155
109 1HE LYS 18 HE2 LYS 18 -7.448 8.324 -0.164
110 2HE LYS 18 HE1 LYS 18 -7.468 9.295 -1.635
111 1HZ LYS 18 HZ1 LYS 18 -8.237 10.397 0.504
112 2HZ LYS 18 HZ2 LYS 18 -9.645 9.458 0.356
113 3HZ LYS 18 HZ3 LYS 18 -9.234 10.574 -0.857
114 H LYS 19 HN LYS 19 -5.584 5.496 -4.293
115 HA LYS 19 HA LYS 19 -7.588 6.226 -6.298
116 1HB LYS 19 HB2 LYS 19 -4.802 6.731 -5.862
117 2HB LYS 19 HB1 LYS 19 -5.000 6.039 -7.472
118 1HG LYS 19 HG2 LYS 19 -6.697 7.715 -8.021
119 2HG LYS 19 HG1 LYS 19 -6.596 8.380 -6.390
120 1HD LYS 19 HD2 LYS 19 -4.023 8.166 -7.850
121 2HD LYS 19 HD1 LYS 19 -5.166 9.353 -8.482
122 1HE LYS 19 HE2 LYS 19 -5.256 9.656 -5.688
123 2HE LYS 19 HE1 LYS 19 -3.546 9.481 -6.081
124 1HZ LYS 19 HZ1 LYS 19 -5.300 11.665 -6.595
125 2HZ LYS 19 HZ2 LYS 19 -4.556 11.127 -8.025
126 3HZ LYS 19 HZ3 LYS 19 -3.608 11.597 -6.696
127 H GLU 20 HN GLU 20 -5.032 3.721 -6.095
128 HA GLU 20 HA GLU 20 -5.664 2.428 -8.541
129 1HB GLU 20 HB2 GLU 20 -3.689 2.066 -6.836
130 2HB GLU 20 HB1 GLU 20 -4.760 0.834 -6.166
131 1HG GLU 20 HG2 GLU 20 -5.013 0.044 -8.637
132 2HG GLU 20 HG1 GLU 20 -3.541 0.975 -8.915
133 H THR 21 HN THR 21 -7.487 2.592 -5.658
134 HA THR 21 HA THR 21 -9.398 0.626 -6.774
135 HB THR 21 HB THR 21 -9.566 -0.139 -4.201
136 HG1 THR 21 HG1 THR 21 -7.878 0.469 -3.146
137 1HG2 THR 21 HG21 THR 21 -7.541 -1.191 -6.195
138 2HG2 THR 21 HG22 THR 21 -9.252 -1.620 -6.145
139 3HG2 THR 21 HG23 THR 21 -8.186 -2.085 -4.819
140 H GLY 22 HN GLY 22 -9.017 2.252 -3.617
141 1HA GLY 22 HA2 GLY 22 -10.552 4.480 -3.802
142 2HA GLY 22 HA1 GLY 22 -11.789 3.222 -3.804
143 H TYR 23 HN TYR 23 -9.818 1.590 -2.063
144 HA TYR 23 HA TYR 23 -10.785 2.734 0.494
145 1HB TYR 23 HB2 TYR 23 -9.314 0.118 0.151
146 2HB TYR 23 HB1 TYR 23 -10.422 0.588 1.441
147 HD1 TYR 23 HD1 TYR 23 -10.189 -0.310 -2.154
148 HD2 TYR 23 HD2 TYR 23 -12.796 0.363 1.194
149 HE1 TYR 23 HE1 TYR 23 -12.082 -1.266 -3.438
150 HE2 TYR 23 HE2 TYR 23 -14.691 -0.593 -0.090
151 HH TYR 23 HH TYR 23 -14.639 -1.036 -3.386
152 HA PRO 24 HA PRO 24 -6.704 4.239 1.337
153 1HB PRO 24 HB2 PRO 24 -7.172 4.944 3.952
154 2HB PRO 24 HB1 PRO 24 -7.735 5.899 2.569
155 1HG PRO 24 HG2 PRO 24 -9.301 4.140 4.394
156 2HG PRO 24 HG1 PRO 24 -9.842 5.532 3.441
157 1HD PRO 24 HD2 PRO 24 -10.235 2.800 2.781
158 2HD PRO 24 HD1 PRO 24 -10.505 4.189 1.706
159 H ASN 25 HN ASN 25 -8.312 1.885 3.444
160 HA ASN 25 HA ASN 25 -6.148 1.143 5.096
161 1HB ASN 25 HB2 ASN 25 -8.733 0.142 4.510
162 2HB ASN 25 HB1 ASN 25 -7.615 -1.206 4.290
163 1HD2 ASN 25 HD21 ASN 25 -9.494 -1.049 6.502
164 2HD2 ASN 25 HD22 ASN 25 -8.590 -0.925 7.934
165 H ALA 26 HN ALA 26 -4.139 0.594 4.401
166 HA ALA 26 HA ALA 26 -3.885 -1.512 2.342
167 1HB ALA 26 HB1 ALA 26 -1.990 0.014 1.321
168 2HB ALA 26 HB2 ALA 26 -2.943 1.321 2.023
169 3HB ALA 26 HB3 ALA 26 -3.667 0.245 0.828
170 H LYS 27 HN LYS 27 -1.538 -2.236 2.201
171 HA LYS 27 HA LYS 27 -0.100 -1.725 4.772
172 1HB LYS 27 HB2 LYS 27 0.567 -4.147 4.724
173 2HB LYS 27 HB1 LYS 27 -1.163 -3.901 4.966
174 1HG LYS 27 HG2 LYS 27 -0.832 -3.967 2.182
175 2HG LYS 27 HG1 LYS 27 0.206 -5.256 2.792
176 1HD LYS 27 HD2 LYS 27 -2.726 -4.875 3.465
177 2HD LYS 27 HD1 LYS 27 -2.065 -6.106 2.388
178 1HE LYS 27 HE2 LYS 27 -0.549 -6.557 4.585
179 2HE LYS 27 HE1 LYS 27 -2.023 -5.969 5.352
180 1HZ LYS 27 HZ1 LYS 27 -2.544 -7.813 3.228
181 2HZ LYS 27 HZ2 LYS 27 -3.100 -7.827 4.833
182 3HZ LYS 27 HZ3 LYS 27 -1.588 -8.500 4.449
183 H CYS 28 HN CYS 28 2.195 -1.792 4.612
184 HA CYS 28 HA CYS 28 3.207 -1.688 1.801
185 1HB CYS 28 HB2 CYS 28 3.418 0.423 3.104
186 2HB CYS 28 HB1 CYS 28 4.390 -0.435 4.298
187 H MET 29 HN MET 29 4.380 -3.449 1.243
188 HA MET 29 HA MET 29 5.662 -5.056 3.398
189 1HB MET 29 HB2 MET 29 4.853 -5.642 0.547
190 2HB MET 29 HB1 MET 29 5.957 -6.703 1.420
191 1HG MET 29 HG2 MET 29 4.210 -6.780 3.277
192 2HG MET 29 HG1 MET 29 3.104 -6.011 2.139
193 1HE MET 29 HE1 MET 29 6.007 -8.595 1.373
194 2HE MET 29 HE2 MET 29 5.147 -10.100 1.690
195 3HE MET 29 HE3 MET 29 5.366 -8.928 2.988
196 H ASN 30 HN ASN 30 7.681 -6.288 1.903
197 HA ASN 30 HA ASN 30 9.849 -4.532 2.110
198 1HB ASN 30 HB2 ASN 30 9.518 -7.174 1.365
199 2HB ASN 30 HB1 ASN 30 10.131 -6.432 -0.112
200 1HD2 ASN 30 HD21 ASN 30 10.833 -6.463 3.431
201 2HD2 ASN 30 HD22 ASN 30 12.517 -6.366 3.243
202 H ARG 31 HN ARG 31 9.246 -2.486 1.187
203 HA ARG 31 HA ARG 31 9.065 -0.898 -0.528
204 1HB ARG 31 HB2 ARG 31 10.873 -3.015 -1.655
205 2HB ARG 31 HB1 ARG 31 10.348 -1.685 -2.689
206 1HG ARG 31 HG2 ARG 31 11.210 -0.054 -1.074
207 2HG ARG 31 HG1 ARG 31 11.691 -1.359 0.011
208 1HD ARG 31 HD2 ARG 31 12.797 -1.960 -2.535
209 2HD ARG 31 HD1 ARG 31 13.141 -0.259 -2.215
210 HE ARG 31 HE ARG 31 14.126 -2.553 -0.628
211 1HH1 ARG 31 HH21 ARG 31 13.079 0.438 0.280
212 2HH1 ARG 31 HH22 ARG 31 14.616 1.045 0.799
213 1HH2 ARG 31 HH11 ARG 31 16.412 -1.600 -0.539
214 2HH2 ARG 31 HH12 ARG 31 16.502 -0.109 0.337
215 H LYS 32 HN LYS 32 6.783 -2.409 -0.258
216 HA LYS 32 HA LYS 32 5.802 -2.454 -3.051
217 1HB LYS 32 HB2 LYS 32 5.477 -4.792 -1.140
218 2HB LYS 32 HB1 LYS 32 4.694 -4.648 -2.715
219 1HG LYS 32 HG2 LYS 32 7.201 -4.236 -3.521
220 2HG LYS 32 HG1 LYS 32 7.564 -5.163 -2.066
221 1HD LYS 32 HD2 LYS 32 5.617 -6.722 -3.058
222 2HD LYS 32 HD1 LYS 32 6.203 -6.028 -4.570
223 1HE LYS 32 HE2 LYS 32 8.527 -6.688 -3.917
224 2HE LYS 32 HE1 LYS 32 7.859 -7.497 -2.500
225 1HZ LYS 32 HZ1 LYS 32 7.707 -8.248 -5.314
226 2HZ LYS 32 HZ2 LYS 32 6.341 -8.571 -4.357
227 3HZ LYS 32 HZ3 LYS 32 7.851 -9.226 -3.937
228 H CYS 33 HN CYS 33 3.338 -2.605 -3.042
229 HA CYS 33 HA CYS 33 2.178 -1.634 -0.472
230 1HB CYS 33 HB2 CYS 33 2.203 -0.251 -3.128
231 2HB CYS 33 HB1 CYS 33 0.770 -0.093 -2.113
232 H LYS 34 HN LYS 34 0.119 -2.411 -0.081
233 HA LYS 34 HA LYS 34 -1.248 -3.856 -2.306
234 1HB LYS 34 HB2 LYS 34 -0.064 -5.496 -0.854
235 2HB LYS 34 HB1 LYS 34 -0.958 -4.877 0.536
236 1HG LYS 34 HG2 LYS 34 -2.644 -6.279 0.037
237 2HG LYS 34 HG1 LYS 34 -2.872 -5.418 -1.486
238 1HD LYS 34 HD2 LYS 34 -0.711 -7.499 -1.218
239 2HD LYS 34 HD1 LYS 34 -2.372 -7.972 -1.576
240 1HE LYS 34 HE2 LYS 34 -2.019 -5.917 -3.345
241 2HE LYS 34 HE1 LYS 34 -0.395 -6.602 -3.290
242 1HZ LYS 34 HZ1 LYS 34 -2.828 -7.714 -4.368
243 2HZ LYS 34 HZ2 LYS 34 -1.935 -8.800 -3.416
244 3HZ LYS 34 HZ3 LYS 34 -1.213 -8.052 -4.760
245 H CYS 35 HN CYS 35 -3.532 -3.771 -2.193
246 HA CYS 35 HA CYS 35 -4.579 -1.809 -0.199
247 1HB CYS 35 HB2 CYS 35 -5.936 -2.658 -2.766
248 2HB CYS 35 HB1 CYS 35 -6.256 -1.224 -1.790
249 H PHE 36 HN PHE 36 -6.573 -2.298 0.876
250 HA PHE 36 HA PHE 36 -6.947 -5.147 1.390
251 1HB PHE 36 HB2 PHE 36 -7.910 -2.593 2.548
252 2HB PHE 36 HB1 PHE 36 -9.016 -3.959 2.692
253 HD1 PHE 36 HD1 PHE 36 -6.031 -2.413 3.969
254 HD2 PHE 36 HD2 PHE 36 -8.088 -6.169 3.624
255 HE1 PHE 36 HE1 PHE 36 -4.657 -3.337 5.815
256 HE2 PHE 36 HE2 PHE 36 -6.714 -7.091 5.470
257 HZ PHE 36 HZ PHE 36 -4.997 -5.676 6.565
258 H GLY 37 HN GLY 37 -9.107 -2.553 0.168
259 1HA GLY 37 HA2 GLY 37 -11.086 -2.737 -1.093
260 2HA GLY 37 HA1 GLY 37 -10.169 -3.934 -2.009
261 H ARG 38 HN ARG 38 -10.751 -4.484 1.373
262 HA ARG 38 HA ARG 38 -11.798 -6.347 2.379
263 1HB ARG 38 HB2 ARG 38 -14.191 -6.271 2.181
264 2HB ARG 38 HB1 ARG 38 -13.619 -4.608 2.054
265 1HG ARG 38 HG2 ARG 38 -13.884 -4.597 -0.322
266 2HG ARG 38 HG1 ARG 38 -14.117 -6.345 -0.373
267 1HD ARG 38 HD2 ARG 38 -16.177 -5.974 1.094
268 2HD ARG 38 HD1 ARG 38 -16.001 -4.256 0.736
269 HE ARG 38 HE ARG 38 -15.964 -5.476 -1.758
270 1HH1 ARG 38 HH11 ARG 38 -18.079 -5.007 0.910
271 2HH1 ARG 38 HH12 ARG 38 -19.505 -5.453 0.034
272 1HH2 ARG 38 HH21 ARG 38 -17.795 -6.254 -2.871
273 2HH2 ARG 38 HH22 ARG 38 -19.346 -6.155 -2.106
Start of MODEL 17
1 1H THR 4 HT1 THR 4 4.798 -4.452 -3.704
2 2H THR 4 HT2 THR 4 5.872 -5.348 -4.668
3 3H THR 4 HT3 THR 4 4.281 -5.894 -4.434
4 HA THR 4 HA THR 4 4.652 -4.863 -6.634
5 HB THR 4 HB THR 4 2.707 -3.527 -4.735
6 HG1 THR 4 HG1 THR 4 2.753 -5.866 -6.261
7 1HG2 THR 4 HG21 THR 4 3.387 -2.737 -7.323
8 2HG2 THR 4 HG22 THR 4 1.910 -2.312 -6.458
9 3HG2 THR 4 HG23 THR 4 1.930 -3.708 -7.536
10 H ILE 5 HN ILE 5 3.655 -1.930 -5.161
11 HA ILE 5 HA ILE 5 5.610 -0.376 -6.527
12 HB ILE 5 HB ILE 5 3.308 0.272 -5.408
13 1HG1 ILE 5 HG12 ILE 5 4.951 2.593 -5.028
14 2HG1 ILE 5 HG11 ILE 5 5.523 1.697 -6.436
15 1HG2 ILE 5 HG21 ILE 5 3.319 1.048 -3.252
16 2HG2 ILE 5 HG22 ILE 5 5.023 1.494 -3.308
17 3HG2 ILE 5 HG23 ILE 5 4.558 -0.195 -3.098
18 1HD1 ILE 5 HD11 ILE 5 2.581 2.203 -6.050
19 2HD1 ILE 5 HD12 ILE 5 3.459 1.867 -7.542
20 3HD1 ILE 5 HD13 ILE 5 3.612 3.442 -6.765
21 H SER 6 HN SER 6 6.472 1.378 -4.441
22 HA SER 6 HA SER 6 8.324 -0.367 -2.876
23 1HB SER 6 HB2 SER 6 9.056 1.287 -5.053
24 2HB SER 6 HB1 SER 6 9.602 2.118 -3.599
25 HG SER 6 HG SER 6 10.353 -0.349 -4.665
26 H CYS 7 HN CYS 7 7.464 0.021 -0.853
27 HA CYS 7 HA CYS 7 7.603 2.823 0.117
28 1HB CYS 7 HB2 CYS 7 5.382 2.627 1.179
29 2HB CYS 7 HB1 CYS 7 5.258 2.466 -0.573
30 H THR 8 HN THR 8 6.766 2.559 2.645
31 HA THR 8 HA THR 8 8.085 0.151 3.796
32 HB THR 8 HB THR 8 9.836 1.811 3.860
33 HG1 THR 8 HG1 THR 8 9.599 2.351 6.282
34 1HG2 THR 8 HG21 THR 8 8.110 3.748 5.358
35 2HG2 THR 8 HG22 THR 8 7.990 3.684 3.599
36 3HG2 THR 8 HG23 THR 8 9.536 4.055 4.364
37 H ASN 9 HN ASN 9 6.317 3.162 4.560
38 HA ASN 9 HA ASN 9 5.001 1.810 6.836
39 1HB ASN 9 HB2 ASN 9 4.506 4.620 5.822
40 2HB ASN 9 HB1 ASN 9 4.164 3.975 7.428
41 1HD2 ASN 9 HD21 ASN 9 6.230 6.063 6.061
42 2HD2 ASN 9 HD22 ASN 9 7.645 5.746 6.947
43 H GLU 10 HN GLU 10 2.688 1.559 6.924
44 HA GLU 10 HA GLU 10 1.479 0.767 4.447
45 1HB GLU 10 HB2 GLU 10 -0.507 0.339 5.731
46 2HB GLU 10 HB1 GLU 10 0.863 -0.086 6.754
47 1HG GLU 10 HG2 GLU 10 -0.329 2.681 6.871
48 2HG GLU 10 HG1 GLU 10 -1.048 1.355 7.780
49 H LYS 11 HN LYS 11 1.722 3.820 6.043
50 HA LYS 11 HA LYS 11 -0.618 5.061 4.895
51 1HB LYS 11 HB2 LYS 11 0.368 6.130 6.793
52 2HB LYS 11 HB1 LYS 11 1.959 6.162 6.034
53 1HG LYS 11 HG2 LYS 11 1.491 8.045 4.860
54 2HG LYS 11 HG1 LYS 11 -0.134 7.493 4.451
55 1HD LYS 11 HD2 LYS 11 -0.700 9.213 5.873
56 2HD LYS 11 HD1 LYS 11 -0.516 7.927 7.067
57 1HE LYS 11 HE2 LYS 11 2.035 9.192 6.436
58 2HE LYS 11 HE1 LYS 11 0.858 10.355 7.047
59 1HZ LYS 11 HZ1 LYS 11 0.879 9.433 9.069
60 2HZ LYS 11 HZ2 LYS 11 2.352 8.736 8.585
61 3HZ LYS 11 HZ3 LYS 11 0.909 7.845 8.471
62 H GLN 12 HN GLN 12 2.502 4.246 3.642
63 HA GLN 12 HA GLN 12 2.679 6.234 1.579
64 1HB GLN 12 HB2 GLN 12 3.893 3.518 2.013
65 2HB GLN 12 HB1 GLN 12 4.100 4.331 0.462
66 1HG GLN 12 HG2 GLN 12 4.856 5.448 3.178
67 2HG GLN 12 HG1 GLN 12 5.974 4.885 1.935
68 1HE2 GLN 12 HE21 GLN 12 4.452 7.664 3.128
69 2HE2 GLN 12 HE22 GLN 12 4.654 8.661 1.770
70 H CYS 13 HN CYS 13 1.010 3.125 1.784
71 HA CYS 13 HA CYS 13 0.160 3.425 -1.056
72 1HB CYS 13 HB2 CYS 13 0.718 1.172 0.666
73 2HB CYS 13 HB1 CYS 13 -0.925 1.058 0.033
74 H TYR 14 HN TYR 14 -0.879 4.589 1.777
75 HA TYR 14 HA TYR 14 -3.635 3.766 1.876
76 1HB TYR 14 HB2 TYR 14 -1.949 5.802 3.166
77 2HB TYR 14 HB1 TYR 14 -3.632 6.290 2.967
78 HD1 TYR 14 HD1 TYR 14 -4.539 6.084 5.138
79 HD2 TYR 14 HD2 TYR 14 -2.245 2.860 3.467
80 HE1 TYR 14 HE1 TYR 14 -5.189 4.636 7.042
81 HE2 TYR 14 HE2 TYR 14 -2.894 1.411 5.372
82 HH TYR 14 HH TYR 14 -4.377 2.641 8.195
83 HA PRO 15 HA PRO 15 -4.522 7.725 -0.647
84 1HB PRO 15 HB2 PRO 15 -2.369 9.137 -1.604
85 2HB PRO 15 HB1 PRO 15 -3.111 9.437 -0.022
86 1HG PRO 15 HG2 PRO 15 -0.534 8.074 -0.659
87 2HG PRO 15 HG1 PRO 15 -1.008 8.949 0.807
88 1HD PRO 15 HD2 PRO 15 -0.938 6.139 0.506
89 2HD PRO 15 HD1 PRO 15 -1.722 7.031 1.827
90 H HIS 16 HN HIS 16 -1.568 6.045 -1.702
91 HA HIS 16 HA HIS 16 -1.945 6.351 -4.506
92 1HB HIS 16 HB2 HIS 16 0.121 5.446 -4.295
93 2HB HIS 16 HB1 HIS 16 -0.255 4.787 -2.708
94 HD1 HIS 16 HD1 HIS 16 0.174 3.835 -6.240
95 HD2 HIS 16 HD2 HIS 16 -1.538 2.151 -2.834
96 HE1 HIS 16 HE1 HIS 16 -0.141 1.371 -6.742
97 H CYS 17 HN CYS 17 -2.910 3.648 -2.361
98 HA CYS 17 HA CYS 17 -4.362 2.302 -4.481
99 1HB CYS 17 HB2 CYS 17 -3.866 1.881 -1.605
100 2HB CYS 17 HB1 CYS 17 -5.432 1.296 -2.168
101 H LYS 18 HN LYS 18 -5.245 4.597 -1.934
102 HA LYS 18 HA LYS 18 -8.068 4.333 -2.126
103 1HB LYS 18 HB2 LYS 18 -6.755 5.706 -0.429
104 2HB LYS 18 HB1 LYS 18 -6.603 6.944 -1.675
105 1HG LYS 18 HG2 LYS 18 -9.345 6.009 -1.465
106 2HG LYS 18 HG1 LYS 18 -8.758 6.609 0.088
107 1HD LYS 18 HD2 LYS 18 -8.488 8.127 -2.522
108 2HD LYS 18 HD1 LYS 18 -9.785 8.393 -1.356
109 1HE LYS 18 HE2 LYS 18 -7.797 8.642 0.353
110 2HE LYS 18 HE1 LYS 18 -6.855 8.988 -1.097
111 1HZ LYS 18 HZ1 LYS 18 -7.605 11.061 -0.744
112 2HZ LYS 18 HZ2 LYS 18 -8.936 10.553 0.182
113 3HZ LYS 18 HZ3 LYS 18 -9.008 10.499 -1.515
114 H LYS 19 HN LYS 19 -5.766 6.186 -4.085
115 HA LYS 19 HA LYS 19 -7.890 7.419 -5.675
116 1HB LYS 19 HB2 LYS 19 -5.574 8.416 -5.226
117 2HB LYS 19 HB1 LYS 19 -4.962 7.253 -6.405
118 1HG LYS 19 HG2 LYS 19 -5.555 8.673 -8.045
119 2HG LYS 19 HG1 LYS 19 -7.241 8.441 -7.583
120 1HD LYS 19 HD2 LYS 19 -6.999 10.242 -5.886
121 2HD LYS 19 HD1 LYS 19 -5.342 10.504 -6.429
122 1HE LYS 19 HE2 LYS 19 -7.470 10.530 -8.515
123 2HE LYS 19 HE1 LYS 19 -7.400 11.911 -7.421
124 1HZ LYS 19 HZ1 LYS 19 -5.213 12.385 -8.053
125 2HZ LYS 19 HZ2 LYS 19 -6.013 12.042 -9.511
126 3HZ LYS 19 HZ3 LYS 19 -4.997 10.879 -8.803
127 H GLU 20 HN GLU 20 -5.927 4.524 -5.846
128 HA GLU 20 HA GLU 20 -6.398 4.050 -8.672
129 1HB GLU 20 HB2 GLU 20 -4.470 3.049 -7.535
130 2HB GLU 20 HB1 GLU 20 -5.549 2.152 -6.464
131 1HG GLU 20 HG2 GLU 20 -6.404 0.840 -8.272
132 2HG GLU 20 HG1 GLU 20 -5.657 1.890 -9.476
133 H THR 21 HN THR 21 -7.582 2.219 -5.820
134 HA THR 21 HA THR 21 -10.020 1.595 -7.433
135 HB THR 21 HB THR 21 -8.616 -0.359 -6.763
136 HG1 THR 21 HG1 THR 21 -11.105 -0.168 -6.742
137 1HG2 THR 21 HG21 THR 21 -7.760 -0.473 -4.690
138 2HG2 THR 21 HG22 THR 21 -9.385 -0.488 -4.008
139 3HG2 THR 21 HG23 THR 21 -8.560 1.045 -4.287
140 H GLY 22 HN GLY 22 -8.855 2.878 -4.375
141 1HA GLY 22 HA2 GLY 22 -10.341 4.572 -3.304
142 2HA GLY 22 HA1 GLY 22 -11.697 3.513 -3.688
143 H TYR 23 HN TYR 23 -8.750 2.046 -2.603
144 HA TYR 23 HA TYR 23 -9.972 1.663 0.099
145 1HB TYR 23 HB2 TYR 23 -8.942 -0.318 -1.866
146 2HB TYR 23 HB1 TYR 23 -8.543 -0.603 -0.173
147 HD1 TYR 23 HD1 TYR 23 -10.214 -1.258 1.416
148 HD2 TYR 23 HD2 TYR 23 -11.339 -0.110 -2.567
149 HE1 TYR 23 HE1 TYR 23 -12.508 -2.109 1.818
150 HE2 TYR 23 HE2 TYR 23 -13.634 -0.962 -2.165
151 HH TYR 23 HH TYR 23 -15.117 -1.418 -0.263
152 HA PRO 24 HA PRO 24 -5.882 3.363 0.952
153 1HB PRO 24 HB2 PRO 24 -6.529 4.179 3.497
154 2HB PRO 24 HB1 PRO 24 -6.891 5.124 2.043
155 1HG PRO 24 HG2 PRO 24 -8.741 3.521 3.749
156 2HG PRO 24 HG1 PRO 24 -9.088 4.935 2.739
157 1HD PRO 24 HD2 PRO 24 -9.652 2.251 2.063
158 2HD PRO 24 HD1 PRO 24 -9.656 3.628 0.941
159 H ASN 25 HN ASN 25 -7.794 1.346 3.198
160 HA ASN 25 HA ASN 25 -5.825 0.467 4.951
161 1HB ASN 25 HB2 ASN 25 -8.343 -0.246 4.692
162 2HB ASN 25 HB1 ASN 25 -7.674 -1.564 3.730
163 1HD2 ASN 25 HD21 ASN 25 -5.618 -2.618 4.921
164 2HD2 ASN 25 HD22 ASN 25 -5.843 -2.934 6.574
165 H ALA 26 HN ALA 26 -3.760 0.057 4.222
166 HA ALA 26 HA ALA 26 -3.429 -2.269 2.413
167 1HB ALA 26 HB1 ALA 26 -2.285 -1.164 0.754
168 2HB ALA 26 HB2 ALA 26 -1.649 0.053 1.861
169 3HB ALA 26 HB3 ALA 26 -3.309 0.172 1.280
170 H LYS 27 HN LYS 27 -0.830 -2.564 2.225
171 HA LYS 27 HA LYS 27 0.333 -2.056 4.928
172 1HB LYS 27 HB2 LYS 27 -0.556 -4.549 4.022
173 2HB LYS 27 HB1 LYS 27 1.191 -4.593 3.784
174 1HG LYS 27 HG2 LYS 27 0.861 -5.350 6.012
175 2HG LYS 27 HG1 LYS 27 1.374 -3.670 6.175
176 1HD LYS 27 HD2 LYS 27 -1.085 -3.038 6.226
177 2HD LYS 27 HD1 LYS 27 -1.443 -4.760 6.361
178 1HE LYS 27 HE2 LYS 27 -0.936 -4.762 8.555
179 2HE LYS 27 HE1 LYS 27 0.623 -3.998 8.245
180 1HZ LYS 27 HZ1 LYS 27 -1.206 -2.776 9.618
181 2HZ LYS 27 HZ2 LYS 27 -1.809 -2.367 8.083
182 3HZ LYS 27 HZ3 LYS 27 -0.232 -1.916 8.528
183 H CYS 28 HN CYS 28 2.726 -2.249 4.928
184 HA CYS 28 HA CYS 28 3.989 -2.032 2.244
185 1HB CYS 28 HB2 CYS 28 3.873 0.084 4.359
186 2HB CYS 28 HB1 CYS 28 5.368 -0.090 3.442
187 H MET 29 HN MET 29 4.814 -4.169 2.864
188 HA MET 29 HA MET 29 6.866 -4.054 5.037
189 1HB MET 29 HB2 MET 29 4.960 -5.739 5.213
190 2HB MET 29 HB1 MET 29 5.673 -6.553 3.819
191 1HG MET 29 HG2 MET 29 7.493 -7.294 5.008
192 2HG MET 29 HG1 MET 29 7.511 -5.880 6.062
193 1HE MET 29 HE1 MET 29 5.398 -6.368 8.855
194 2HE MET 29 HE2 MET 29 4.374 -5.904 7.498
195 3HE MET 29 HE3 MET 29 6.017 -5.276 7.608
196 H ASN 30 HN ASN 30 8.971 -4.369 4.495
197 HA ASN 30 HA ASN 30 10.815 -4.376 3.015
198 1HB ASN 30 HB2 ASN 30 9.358 -6.967 2.430
199 2HB ASN 30 HB1 ASN 30 10.990 -6.615 1.857
200 1HD2 ASN 30 HD21 ASN 30 12.722 -6.541 3.445
201 2HD2 ASN 30 HD22 ASN 30 12.500 -7.092 5.035
202 H ARG 31 HN ARG 31 9.159 -2.614 1.885
203 HA ARG 31 HA ARG 31 8.506 -1.664 -0.157
204 1HB ARG 31 HB2 ARG 31 10.380 -3.693 -1.394
205 2HB ARG 31 HB1 ARG 31 9.937 -2.109 -2.029
206 1HG ARG 31 HG2 ARG 31 11.669 -2.738 0.368
207 2HG ARG 31 HG1 ARG 31 12.088 -1.795 -1.064
208 1HD ARG 31 HD2 ARG 31 9.977 -0.355 -0.206
209 2HD ARG 31 HD1 ARG 31 10.530 -0.995 1.342
210 HE ARG 31 HE ARG 31 12.585 0.225 1.075
211 1HH1 ARG 31 HH21 ARG 31 10.045 1.433 -0.724
212 2HH1 ARG 31 HH22 ARG 31 11.017 2.369 -1.809
213 1HH2 ARG 31 HH11 ARG 31 14.019 1.039 -0.694
214 2HH2 ARG 31 HH12 ARG 31 13.265 2.147 -1.792
215 H LYS 32 HN LYS 32 6.650 -3.458 0.723
216 HA LYS 32 HA LYS 32 5.737 -4.664 -1.840
217 1HB LYS 32 HB2 LYS 32 6.724 -6.210 0.263
218 2HB LYS 32 HB1 LYS 32 4.972 -6.283 0.466
219 1HG LYS 32 HG2 LYS 32 5.510 -6.525 -2.320
220 2HG LYS 32 HG1 LYS 32 6.593 -7.634 -1.478
221 1HD LYS 32 HD2 LYS 32 4.809 -9.038 -1.441
222 2HD LYS 32 HD1 LYS 32 4.231 -8.018 -0.123
223 1HE LYS 32 HE2 LYS 32 2.665 -6.969 -1.434
224 2HE LYS 32 HE1 LYS 32 3.659 -7.075 -2.888
225 1HZ LYS 32 HZ1 LYS 32 3.139 -9.387 -3.089
226 2HZ LYS 32 HZ2 LYS 32 1.683 -8.525 -2.940
227 3HZ LYS 32 HZ3 LYS 32 2.302 -9.387 -1.614
228 H CYS 33 HN CYS 33 3.981 -3.359 -2.190
229 HA CYS 33 HA CYS 33 2.335 -2.405 0.033
230 1HB CYS 33 HB2 CYS 33 2.547 -1.901 -2.867
231 2HB CYS 33 HB1 CYS 33 0.908 -1.808 -2.225
232 H LYS 34 HN LYS 34 0.607 -3.459 0.849
233 HA LYS 34 HA LYS 34 -0.663 -5.583 -0.833
234 1HB LYS 34 HB2 LYS 34 0.580 -5.814 1.724
235 2HB LYS 34 HB1 LYS 34 -1.156 -6.029 1.955
236 1HG LYS 34 HG2 LYS 34 -1.202 -7.733 0.187
237 2HG LYS 34 HG1 LYS 34 0.526 -7.505 -0.092
238 1HD LYS 34 HD2 LYS 34 1.107 -8.421 2.008
239 2HD LYS 34 HD1 LYS 34 -0.533 -8.240 2.635
240 1HE LYS 34 HE2 LYS 34 -0.422 -10.534 2.141
241 2HE LYS 34 HE1 LYS 34 -1.197 -9.864 0.707
242 1HZ LYS 34 HZ1 LYS 34 0.525 -10.432 -0.555
243 2HZ LYS 34 HZ2 LYS 34 1.068 -11.377 0.747
244 3HZ LYS 34 HZ3 LYS 34 1.657 -9.797 0.537
245 H CYS 35 HN CYS 35 -2.333 -4.212 -1.579
246 HA CYS 35 HA CYS 35 -3.938 -2.725 0.402
247 1HB CYS 35 HB2 CYS 35 -4.080 -2.972 -2.614
248 2HB CYS 35 HB1 CYS 35 -5.242 -2.044 -1.664
249 H PHE 36 HN PHE 36 -6.030 -3.287 0.998
250 HA PHE 36 HA PHE 36 -6.780 -6.076 0.671
251 1HB PHE 36 HB2 PHE 36 -7.801 -3.713 2.158
252 2HB PHE 36 HB1 PHE 36 -8.988 -4.954 1.759
253 HD1 PHE 36 HD1 PHE 36 -5.403 -5.679 2.271
254 HD2 PHE 36 HD2 PHE 36 -9.320 -5.739 4.033
255 HE1 PHE 36 HE1 PHE 36 -4.548 -7.093 4.122
256 HE2 PHE 36 HE2 PHE 36 -8.466 -7.152 5.883
257 HZ PHE 36 HZ PHE 36 -6.081 -7.829 5.928
258 H GLY 37 HN GLY 37 -8.526 -3.054 -0.160
259 1HA GLY 37 HA2 GLY 37 -10.031 -2.616 -1.906
260 2HA GLY 37 HA1 GLY 37 -9.101 -3.785 -2.844
261 H ARG 38 HN ARG 38 -11.259 -4.001 0.011
262 HA ARG 38 HA ARG 38 -12.224 -6.582 -0.412
263 1HB ARG 38 HB2 ARG 38 -12.795 -5.102 1.537
264 2HB ARG 38 HB1 ARG 38 -13.924 -4.239 0.491
265 1HG ARG 38 HG2 ARG 38 -15.045 -6.011 1.841
266 2HG ARG 38 HG1 ARG 38 -15.190 -6.293 0.105
267 1HD ARG 38 HD2 ARG 38 -13.648 -8.050 0.126
268 2HD ARG 38 HD1 ARG 38 -12.891 -7.498 1.619
269 HE ARG 38 HE ARG 38 -15.110 -9.314 1.459
270 1HH1 ARG 38 HH21 ARG 38 -13.391 -9.279 3.826
271 2HH1 ARG 38 HH22 ARG 38 -14.379 -8.523 5.031
272 1HH2 ARG 38 HH11 ARG 38 -16.610 -7.181 2.738
273 2HH2 ARG 38 HH12 ARG 38 -16.203 -7.334 4.414
Start of MODEL 18
1 1H THR 4 HT1 THR 4 6.466 -3.275 -6.962
2 2H THR 4 HT2 THR 4 6.235 -2.830 -8.586
3 3H THR 4 HT3 THR 4 5.330 -4.100 -7.912
4 HA THR 4 HA THR 4 4.152 -1.894 -8.176
5 HB THR 4 HB THR 4 4.166 -2.766 -5.308
6 HG1 THR 4 HG1 THR 4 3.204 -4.330 -7.467
7 1HG2 THR 4 HG21 THR 4 2.499 -1.218 -6.790
8 2HG2 THR 4 HG22 THR 4 1.972 -2.150 -5.389
9 3HG2 THR 4 HG23 THR 4 1.747 -2.797 -7.014
10 H ILE 5 HN ILE 5 3.896 -0.773 -5.349
11 HA ILE 5 HA ILE 5 5.757 1.429 -5.732
12 HB ILE 5 HB ILE 5 4.088 1.040 -3.288
13 1HG1 ILE 5 HG12 ILE 5 2.593 0.489 -5.157
14 2HG1 ILE 5 HG11 ILE 5 2.186 2.077 -4.513
15 1HG2 ILE 5 HG21 ILE 5 4.985 3.394 -4.951
16 2HG2 ILE 5 HG22 ILE 5 5.508 2.979 -3.318
17 3HG2 ILE 5 HG23 ILE 5 3.855 3.527 -3.604
18 1HD1 ILE 5 HD11 ILE 5 3.156 1.357 -7.166
19 2HD1 ILE 5 HD12 ILE 5 4.139 2.618 -6.422
20 3HD1 ILE 5 HD13 ILE 5 2.402 2.854 -6.618
21 H SER 6 HN SER 6 7.129 2.180 -3.893
22 HA SER 6 HA SER 6 8.283 -0.139 -2.391
23 1HB SER 6 HB2 SER 6 9.663 2.324 -3.506
24 2HB SER 6 HB1 SER 6 10.438 1.149 -2.446
25 HG SER 6 HG SER 6 9.532 -0.387 -4.168
26 H CYS 7 HN CYS 7 7.542 0.088 -0.313
27 HA CYS 7 HA CYS 7 7.923 2.742 0.982
28 1HB CYS 7 HB2 CYS 7 5.685 2.478 2.079
29 2HB CYS 7 HB1 CYS 7 5.581 2.714 0.334
30 H THR 8 HN THR 8 7.010 2.268 3.438
31 HA THR 8 HA THR 8 8.073 -0.332 4.391
32 HB THR 8 HB THR 8 9.602 0.652 5.934
33 HG1 THR 8 HG1 THR 8 9.360 2.620 6.636
34 1HG2 THR 8 HG21 THR 8 9.882 2.357 3.451
35 2HG2 THR 8 HG22 THR 8 10.286 0.640 3.486
36 3HG2 THR 8 HG23 THR 8 11.167 1.775 4.509
37 H ASN 9 HN ASN 9 6.479 2.751 5.145
38 HA ASN 9 HA ASN 9 5.176 1.566 7.516
39 1HB ASN 9 HB2 ASN 9 4.965 4.327 6.274
40 2HB ASN 9 HB1 ASN 9 4.200 3.838 7.785
41 1HD2 ASN 9 HD21 ASN 9 5.412 4.892 9.389
42 2HD2 ASN 9 HD22 ASN 9 7.103 4.813 9.519
43 H GLU 10 HN GLU 10 2.797 1.575 7.678
44 HA GLU 10 HA GLU 10 1.547 0.483 5.330
45 1HB GLU 10 HB2 GLU 10 0.331 1.491 7.919
46 2HB GLU 10 HB1 GLU 10 -0.535 0.561 6.696
47 1HG GLU 10 HG2 GLU 10 1.511 -1.100 6.986
48 2HG GLU 10 HG1 GLU 10 1.632 -0.320 8.563
49 H LYS 11 HN LYS 11 1.262 3.668 6.922
50 HA LYS 11 HA LYS 11 -0.765 4.665 5.152
51 1HB LYS 11 HB2 LYS 11 -0.052 5.646 7.398
52 2HB LYS 11 HB1 LYS 11 1.325 6.347 6.548
53 1HG LYS 11 HG2 LYS 11 -0.966 6.921 4.980
54 2HG LYS 11 HG1 LYS 11 -1.391 7.297 6.651
55 1HD LYS 11 HD2 LYS 11 1.302 8.196 6.028
56 2HD LYS 11 HD1 LYS 11 0.123 8.898 4.920
57 1HE LYS 11 HE2 LYS 11 -1.277 9.458 6.985
58 2HE LYS 11 HE1 LYS 11 0.150 9.053 7.939
59 1HZ LYS 11 HZ1 LYS 11 0.424 10.911 5.684
60 2HZ LYS 11 HZ2 LYS 11 1.318 10.825 7.127
61 3HZ LYS 11 HZ3 LYS 11 -0.250 11.480 7.132
62 H GLN 12 HN GLN 12 2.451 3.884 4.502
63 HA GLN 12 HA GLN 12 3.151 6.033 2.719
64 1HB GLN 12 HB2 GLN 12 4.128 3.215 3.114
65 2HB GLN 12 HB1 GLN 12 4.705 4.172 1.750
66 1HG GLN 12 HG2 GLN 12 4.748 5.263 4.563
67 2HG GLN 12 HG1 GLN 12 6.077 4.288 3.935
68 1HE2 GLN 12 HE21 GLN 12 7.724 5.618 3.173
69 2HE2 GLN 12 HE22 GLN 12 7.494 7.087 2.355
70 H CYS 13 HN CYS 13 0.722 3.743 2.444
71 HA CYS 13 HA CYS 13 0.601 4.197 -0.498
72 1HB CYS 13 HB2 CYS 13 1.077 1.664 0.819
73 2HB CYS 13 HB1 CYS 13 -0.456 1.619 -0.051
74 H TYR 14 HN TYR 14 -0.819 5.322 1.871
75 HA TYR 14 HA TYR 14 -3.471 4.165 1.953
76 1HB TYR 14 HB2 TYR 14 -2.091 6.482 3.128
77 2HB TYR 14 HB1 TYR 14 -3.806 6.748 2.812
78 HD1 TYR 14 HD1 TYR 14 -2.292 3.443 3.530
79 HD2 TYR 14 HD2 TYR 14 -4.580 6.726 5.093
80 HE1 TYR 14 HE1 TYR 14 -2.882 2.086 5.521
81 HE2 TYR 14 HE2 TYR 14 -5.170 5.369 7.083
82 HH TYR 14 HH TYR 14 -4.634 3.484 8.245
83 HA PRO 15 HA PRO 15 -4.598 7.817 -0.925
84 1HB PRO 15 HB2 PRO 15 -2.518 9.189 -2.089
85 2HB PRO 15 HB1 PRO 15 -3.262 9.652 -0.547
86 1HG PRO 15 HG2 PRO 15 -0.635 8.326 -1.044
87 2HG PRO 15 HG1 PRO 15 -1.131 9.362 0.304
88 1HD PRO 15 HD2 PRO 15 -0.937 6.552 0.367
89 2HD PRO 15 HD1 PRO 15 -1.768 7.558 1.573
90 H HIS 16 HN HIS 16 -1.589 6.157 -1.872
91 HA HIS 16 HA HIS 16 -2.213 6.069 -4.681
92 1HB HIS 16 HB2 HIS 16 -0.002 5.549 -4.523
93 2HB HIS 16 HB1 HIS 16 -0.170 4.969 -2.870
94 HD1 HIS 16 HD1 HIS 16 -0.015 3.815 -6.398
95 HD2 HIS 16 HD2 HIS 16 -0.916 2.181 -2.672
96 HE1 HIS 16 HE1 HIS 16 0.000 1.299 -6.699
97 H CYS 17 HN CYS 17 -2.839 3.861 -1.969
98 HA CYS 17 HA CYS 17 -3.957 1.747 -3.578
99 1HB CYS 17 HB2 CYS 17 -3.913 2.453 -0.677
100 2HB CYS 17 HB1 CYS 17 -5.145 1.314 -1.218
101 H LYS 18 HN LYS 18 -5.380 4.553 -1.911
102 HA LYS 18 HA LYS 18 -8.114 3.834 -2.404
103 1HB LYS 18 HB2 LYS 18 -7.545 5.538 -0.752
104 2HB LYS 18 HB1 LYS 18 -6.835 6.556 -2.006
105 1HG LYS 18 HG2 LYS 18 -9.076 6.607 -3.143
106 2HG LYS 18 HG1 LYS 18 -9.746 5.755 -1.751
107 1HD LYS 18 HD2 LYS 18 -8.157 8.259 -1.299
108 2HD LYS 18 HD1 LYS 18 -9.830 8.389 -1.842
109 1HE LYS 18 HE2 LYS 18 -8.982 6.739 0.552
110 2HE LYS 18 HE1 LYS 18 -9.546 8.406 0.671
111 1HZ LYS 18 HZ1 LYS 18 -11.542 7.431 0.851
112 2HZ LYS 18 HZ2 LYS 18 -11.033 5.983 0.123
113 3HZ LYS 18 HZ3 LYS 18 -11.456 7.318 -0.839
114 H LYS 19 HN LYS 19 -6.024 6.189 -4.114
115 HA LYS 19 HA LYS 19 -7.817 6.803 -6.200
116 1HB LYS 19 HB2 LYS 19 -5.458 7.783 -5.645
117 2HB LYS 19 HB1 LYS 19 -4.866 6.520 -6.727
118 1HG LYS 19 HG2 LYS 19 -5.670 7.563 -8.578
119 2HG LYS 19 HG1 LYS 19 -7.175 8.016 -7.779
120 1HD LYS 19 HD2 LYS 19 -6.374 10.121 -7.682
121 2HD LYS 19 HD1 LYS 19 -5.213 9.538 -6.487
122 1HE LYS 19 HE2 LYS 19 -3.905 8.750 -8.671
123 2HE LYS 19 HE1 LYS 19 -4.832 10.057 -9.407
124 1HZ LYS 19 HZ1 LYS 19 -3.045 11.218 -8.663
125 2HZ LYS 19 HZ2 LYS 19 -2.753 10.177 -7.352
126 3HZ LYS 19 HZ3 LYS 19 -4.010 11.318 -7.272
127 H GLU 20 HN GLU 20 -5.728 4.000 -5.768
128 HA GLU 20 HA GLU 20 -5.885 2.987 -8.437
129 1HB GLU 20 HB2 GLU 20 -4.512 2.215 -6.268
130 2HB GLU 20 HB1 GLU 20 -5.845 1.066 -6.154
131 1HG GLU 20 HG2 GLU 20 -5.153 1.064 -8.865
132 2HG GLU 20 HG1 GLU 20 -3.608 1.104 -8.014
133 H THR 21 HN THR 21 -7.879 2.228 -5.554
134 HA THR 21 HA THR 21 -10.060 1.467 -7.445
135 HB THR 21 HB THR 21 -9.042 -0.607 -6.588
136 HG1 THR 21 HG1 THR 21 -10.972 -1.382 -6.380
137 1HG2 THR 21 HG21 THR 21 -8.435 0.771 -4.363
138 2HG2 THR 21 HG22 THR 21 -8.561 -0.987 -4.378
139 3HG2 THR 21 HG23 THR 21 -9.915 -0.011 -3.807
140 H GLY 22 HN GLY 22 -9.171 2.478 -4.151
141 1HA GLY 22 HA2 GLY 22 -10.660 4.562 -3.580
142 2HA GLY 22 HA1 GLY 22 -11.974 3.396 -3.736
143 H TYR 23 HN TYR 23 -9.759 1.425 -2.613
144 HA TYR 23 HA TYR 23 -10.599 1.831 0.195
145 1HB TYR 23 HB2 TYR 23 -9.692 -0.443 -1.454
146 2HB TYR 23 HB1 TYR 23 -9.084 -0.447 0.202
147 HD1 TYR 23 HD1 TYR 23 -11.736 -1.485 -1.826
148 HD2 TYR 23 HD2 TYR 23 -10.956 0.277 2.013
149 HE1 TYR 23 HE1 TYR 23 -13.944 -2.271 -1.017
150 HE2 TYR 23 HE2 TYR 23 -13.165 -0.510 2.822
151 HH TYR 23 HH TYR 23 -15.568 -1.183 1.242
152 HA PRO 24 HA PRO 24 -6.563 3.625 0.909
153 1HB PRO 24 HB2 PRO 24 -7.071 4.325 3.517
154 2HB PRO 24 HB1 PRO 24 -7.625 5.270 2.124
155 1HG PRO 24 HG2 PRO 24 -9.196 3.494 3.930
156 2HG PRO 24 HG1 PRO 24 -9.738 4.881 2.968
157 1HD PRO 24 HD2 PRO 24 -10.101 2.149 2.303
158 2HD PRO 24 HD1 PRO 24 -10.354 3.535 1.220
159 H ASN 25 HN ASN 25 -8.132 1.364 3.179
160 HA ASN 25 HA ASN 25 -6.016 0.639 4.821
161 1HB ASN 25 HB2 ASN 25 -8.509 -0.399 4.316
162 2HB ASN 25 HB1 ASN 25 -7.460 -1.693 3.736
163 1HD2 ASN 25 HD21 ASN 25 -5.612 -2.288 5.359
164 2HD2 ASN 25 HD22 ASN 25 -6.020 -2.281 7.007
165 H ALA 26 HN ALA 26 -3.961 0.599 3.910
166 HA ALA 26 HA ALA 26 -3.510 -1.485 1.810
167 1HB ALA 26 HB1 ALA 26 -3.211 0.869 0.979
168 2HB ALA 26 HB2 ALA 26 -1.743 -0.104 0.877
169 3HB ALA 26 HB3 ALA 26 -1.930 1.078 2.172
170 H LYS 27 HN LYS 27 -1.323 -2.477 1.928
171 HA LYS 27 HA LYS 27 -0.206 -2.361 4.702
172 1HB LYS 27 HB2 LYS 27 -1.378 -4.574 3.359
173 2HB LYS 27 HB1 LYS 27 0.357 -4.881 3.435
174 1HG LYS 27 HG2 LYS 27 -0.275 -5.706 5.503
175 2HG LYS 27 HG1 LYS 27 0.043 -4.026 5.936
176 1HD LYS 27 HD2 LYS 27 -2.155 -3.573 6.309
177 2HD LYS 27 HD1 LYS 27 -2.685 -4.539 4.931
178 1HE LYS 27 HE2 LYS 27 -2.160 -6.604 6.286
179 2HE LYS 27 HE1 LYS 27 -1.886 -5.550 7.673
180 1HZ LYS 27 HZ1 LYS 27 -4.236 -4.650 6.879
181 2HZ LYS 27 HZ2 LYS 27 -4.076 -5.941 7.972
182 3HZ LYS 27 HZ3 LYS 27 -4.375 -6.247 6.328
183 H CYS 28 HN CYS 28 1.953 -1.953 4.798
184 HA CYS 28 HA CYS 28 3.487 -2.068 2.232
185 1HB CYS 28 HB2 CYS 28 3.463 -0.159 4.526
186 2HB CYS 28 HB1 CYS 28 5.017 -0.469 3.751
187 H MET 29 HN MET 29 4.593 -4.001 2.287
188 HA MET 29 HA MET 29 6.438 -4.416 4.569
189 1HB MET 29 HB2 MET 29 5.769 -6.732 4.899
190 2HB MET 29 HB1 MET 29 4.352 -5.701 5.095
191 1HG MET 29 HG2 MET 29 3.325 -6.550 3.251
192 2HG MET 29 HG1 MET 29 4.825 -6.602 2.326
193 1HE MET 29 HE1 MET 29 3.638 -9.618 5.585
194 2HE MET 29 HE2 MET 29 2.487 -8.484 4.884
195 3HE MET 29 HE3 MET 29 3.877 -7.876 5.780
196 H ASN 30 HN ASN 30 8.224 -5.818 4.015
197 HA ASN 30 HA ASN 30 9.918 -6.401 2.480
198 1HB ASN 30 HB2 ASN 30 7.480 -7.921 1.924
199 2HB ASN 30 HB1 ASN 30 8.524 -7.783 0.509
200 1HD2 ASN 30 HD21 ASN 30 9.982 -9.486 0.397
201 2HD2 ASN 30 HD22 ASN 30 10.694 -10.255 1.733
202 H ARG 31 HN ARG 31 9.007 -3.789 2.022
203 HA ARG 31 HA ARG 31 8.818 -2.145 0.345
204 1HB ARG 31 HB2 ARG 31 10.486 -4.082 -1.276
205 2HB ARG 31 HB1 ARG 31 10.480 -2.320 -1.367
206 1HG ARG 31 HG2 ARG 31 11.036 -3.253 1.335
207 2HG ARG 31 HG1 ARG 31 12.208 -3.879 0.174
208 1HD ARG 31 HD2 ARG 31 13.082 -1.819 -0.248
209 2HD ARG 31 HD1 ARG 31 11.507 -1.029 -0.176
210 HE ARG 31 HE ARG 31 11.885 -1.564 2.438
211 1HH1 ARG 31 HH11 ARG 31 14.838 -1.887 1.466
212 2HH1 ARG 31 HH12 ARG 31 15.470 -0.341 1.924
213 1HH2 ARG 31 HH21 ARG 31 12.344 1.081 2.417
214 2HH2 ARG 31 HH22 ARG 31 14.056 1.340 2.469
215 H LYS 32 HN LYS 32 6.551 -3.667 0.364
216 HA LYS 32 HA LYS 32 5.888 -3.764 -2.528
217 1HB LYS 32 HB2 LYS 32 6.216 -6.086 -0.889
218 2HB LYS 32 HB1 LYS 32 4.499 -5.914 -1.260
219 1HG LYS 32 HG2 LYS 32 4.808 -6.360 -3.467
220 2HG LYS 32 HG1 LYS 32 6.288 -5.404 -3.548
221 1HD LYS 32 HD2 LYS 32 7.220 -7.414 -2.053
222 2HD LYS 32 HD1 LYS 32 5.931 -8.290 -2.879
223 1HE LYS 32 HE2 LYS 32 7.083 -6.851 -4.935
224 2HE LYS 32 HE1 LYS 32 8.475 -7.276 -3.940
225 1HZ LYS 32 HZ1 LYS 32 8.365 -9.330 -4.716
226 2HZ LYS 32 HZ2 LYS 32 7.033 -8.915 -5.685
227 3HZ LYS 32 HZ3 LYS 32 6.790 -9.505 -4.111
228 H CYS 33 HN CYS 33 3.964 -2.770 -2.889
229 HA CYS 33 HA CYS 33 2.320 -2.037 -0.521
230 1HB CYS 33 HB2 CYS 33 2.848 -0.846 -3.183
231 2HB CYS 33 HB1 CYS 33 1.189 -0.696 -2.602
232 H LYS 34 HN LYS 34 0.406 -3.067 -0.175
233 HA LYS 34 HA LYS 34 -0.974 -4.308 -2.506
234 1HB LYS 34 HB2 LYS 34 -1.366 -6.365 -1.263
235 2HB LYS 34 HB1 LYS 34 0.370 -6.054 -1.313
236 1HG LYS 34 HG2 LYS 34 0.102 -4.893 0.941
237 2HG LYS 34 HG1 LYS 34 -1.527 -5.570 0.994
238 1HD LYS 34 HD2 LYS 34 0.108 -7.726 0.272
239 2HD LYS 34 HD1 LYS 34 1.018 -6.875 1.521
240 1HE LYS 34 HE2 LYS 34 -1.080 -6.864 2.924
241 2HE LYS 34 HE1 LYS 34 -1.819 -7.918 1.718
242 1HZ LYS 34 HZ1 LYS 34 0.314 -8.485 3.633
243 2HZ LYS 34 HZ2 LYS 34 0.403 -9.247 2.117
244 3HZ LYS 34 HZ3 LYS 34 -0.960 -9.475 3.106
245 H CYS 35 HN CYS 35 -2.977 -3.417 -2.539
246 HA CYS 35 HA CYS 35 -4.124 -2.329 -0.042
247 1HB CYS 35 HB2 CYS 35 -5.591 -2.304 -2.658
248 2HB CYS 35 HB1 CYS 35 -5.558 -1.085 -1.386
249 H PHE 36 HN PHE 36 -5.876 -3.238 1.012
250 HA PHE 36 HA PHE 36 -7.535 -5.276 -0.263
251 1HB PHE 36 HB2 PHE 36 -5.356 -6.001 1.662
252 2HB PHE 36 HB1 PHE 36 -6.879 -6.887 1.738
253 HD1 PHE 36 HD1 PHE 36 -7.832 -7.415 -0.791
254 HD2 PHE 36 HD2 PHE 36 -3.713 -6.996 0.353
255 HE1 PHE 36 HE1 PHE 36 -7.148 -8.768 -2.756
256 HE2 PHE 36 HE2 PHE 36 -3.029 -8.346 -1.610
257 HZ PHE 36 HZ PHE 36 -4.746 -9.233 -3.164
258 H GLY 37 HN GLY 37 -8.655 -3.116 0.613
259 1HA GLY 37 HA2 GLY 37 -9.150 -2.533 3.267
260 2HA GLY 37 HA1 GLY 37 -10.418 -2.453 2.043
261 H ARG 38 HN ARG 38 -10.454 -5.260 1.420
262 HA ARG 38 HA ARG 38 -10.722 -6.960 3.673
263 1HB ARG 38 HB2 ARG 38 -12.728 -5.014 3.660
264 2HB ARG 38 HB1 ARG 38 -13.505 -6.439 2.971
265 1HG ARG 38 HG2 ARG 38 -12.123 -7.562 5.039
266 2HG ARG 38 HG1 ARG 38 -12.505 -5.979 5.717
267 1HD ARG 38 HD2 ARG 38 -14.747 -7.250 4.289
268 2HD ARG 38 HD1 ARG 38 -14.218 -8.124 5.727
269 HE ARG 38 HE ARG 38 -15.003 -5.236 5.790
270 1HH1 ARG 38 HH21 ARG 38 -13.688 -6.202 8.240
271 2HH1 ARG 38 HH22 ARG 38 -15.013 -6.770 9.199
272 1HH2 ARG 38 HH11 ARG 38 -17.224 -6.927 6.533
273 2HH2 ARG 38 HH12 ARG 38 -17.016 -7.178 8.235