Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
621678 | 5x6t RC | 36062 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HN SER 1 8.385 9.601 12.442
2 HA SER 1 HA SER 1 8.434 10.880 9.981
3 HB2 SER 1 2HB SER 1 8.478 11.776 12.492
4 HB3 SER 1 3HB SER 1 10.198 11.940 12.138
5 HG SER 1 HG SER 1 8.351 13.633 11.513
6 H ASP 2 HN ASP 2 10.115 8.441 10.092
7 HA ASP 2 HA ASP 2 12.640 9.629 9.144
8 HB2 ASP 2 2HB ASP 2 12.238 6.918 10.427
9 HB3 ASP 2 3HB ASP 2 13.766 7.544 9.812
10 H ARG 3 HN ARG 3 9.865 8.069 8.227
11 HA ARG 3 HA ARG 3 9.228 7.384 6.124
12 HB2 ARG 3 2HB ARG 3 12.077 7.046 5.262
13 HB3 ARG 3 3HB ARG 3 10.668 7.471 4.300
14 HG2 ARG 3 2HG ARG 3 11.028 9.517 6.214
15 HG3 ARG 3 3HG ARG 3 12.601 9.180 5.489
16 HD2 ARG 3 2HD ARG 3 11.199 9.215 3.259
17 HD3 ARG 3 3HD ARG 3 10.097 10.189 4.231
18 HE ARG 3 HE ARG 3 12.586 11.017 3.140
19 HH11 ARG 3 1HH1 ARG 3 10.498 11.411 5.896
20 HH12 ARG 3 2HH1 ARG 3 11.077 13.001 6.272
21 HH21 ARG 3 1HH2 ARG 3 13.357 13.108 3.624
22 HH22 ARG 3 2HH2 ARG 3 12.703 13.966 4.978
23 H THR 4 HN THR 4 8.817 5.587 7.773
24 HA THR 4 HA THR 4 10.293 3.169 6.955
25 HB THR 4 HB THR 4 8.827 2.800 9.416
26 HG1 THR 4 1HG THR 4 10.961 4.592 9.768
27 HG21 THR 4 1HG2 THR 4 11.446 2.514 10.050
28 HG22 THR 4 2HG2 THR 4 11.510 2.320 8.298
29 HG23 THR 4 3HG2 THR 4 10.479 1.266 9.264
30 H CYS 5 HN CYS 5 9.144 1.380 6.351
31 HA CYS 5 HA CYS 5 6.764 1.546 5.080
32 HB2 CYS 5 2HB CYS 5 8.364 -0.446 5.224
33 HB3 CYS 5 3HB CYS 5 7.474 -0.915 6.670
34 H ALA 6 HN ALA 6 4.587 0.973 5.558
35 HA ALA 6 HA ALA 6 3.844 1.582 8.332
36 HB1 ALA 6 1HB ALA 6 1.757 1.505 6.245
37 HB2 ALA 6 2HB ALA 6 2.008 2.652 7.562
38 HB3 ALA 6 3HB ALA 6 2.974 2.773 6.091
39 H ARG 7 HN ARG 7 4.455 -1.074 6.636
40 HA ARG 7 HA ARG 7 2.279 -2.602 7.905
41 HB2 ARG 7 2HB ARG 7 3.703 -3.382 5.359
42 HB3 ARG 7 3HB ARG 7 2.301 -4.163 6.078
43 HG2 ARG 7 2HG ARG 7 2.424 -1.452 4.784
44 HG3 ARG 7 3HG ARG 7 1.553 -2.881 4.223
45 HD2 ARG 7 2HD ARG 7 0.882 -0.965 6.388
46 HD3 ARG 7 3HD ARG 7 -0.166 -1.748 5.206
47 HE ARG 7 HE ARG 7 0.543 -3.817 6.732
48 HH11 ARG 7 1HH1 ARG 7 -0.563 -0.625 7.574
49 HH12 ARG 7 2HH1 ARG 7 -1.316 -1.134 9.050
50 HH21 ARG 7 1HH2 ARG 7 -0.446 -4.499 8.672
51 HH22 ARG 7 2HH2 ARG 7 -1.248 -3.337 9.673
52 H CYS 8 HN CYS 8 5.676 -2.462 7.024
53 HA CYS 8 HA CYS 8 6.192 -4.679 8.898
54 HB2 CYS 8 2HB CYS 8 8.175 -5.235 7.580
55 HB3 CYS 8 3HB CYS 8 6.730 -5.293 6.576
56 H GLN 9 HN GLN 9 6.576 -1.405 8.303
57 HA GLN 9 HA GLN 9 7.805 0.257 9.255
58 HB2 GLN 9 2HB GLN 9 7.594 -1.837 11.342
59 HB3 GLN 9 3HB GLN 9 8.800 -0.585 11.611
60 HG2 GLN 9 2HG GLN 9 6.309 0.578 10.769
61 HG3 GLN 9 3HG GLN 9 6.070 -0.468 12.168
62 HE21 GLN 9 1HE2 GLN 9 8.674 1.712 11.136
63 HE22 GLN 9 2HE2 GLN 9 8.718 2.629 12.599
64 H GLU 10 HN GLU 10 9.241 -0.659 7.326
65 HA GLU 10 HA GLU 10 11.913 -1.208 8.440
66 HB2 GLU 10 2HB GLU 10 10.528 -2.219 6.002
67 HB3 GLU 10 3HB GLU 10 12.268 -1.976 5.923
68 HG2 GLU 10 2HG GLU 10 12.544 -3.445 7.872
69 HG3 GLU 10 3HG GLU 10 10.803 -3.721 7.889
70 H SER 11 HN SER 11 13.715 -0.193 7.418
71 HA SER 11 HA SER 11 13.398 2.526 6.918
72 HB2 SER 11 2HB SER 11 15.774 2.114 5.753
73 HB3 SER 11 3HB SER 11 15.567 2.077 7.505
74 HG SER 11 HG SER 11 15.898 -0.047 5.699
75 H LEU 12 HN LEU 12 13.073 3.742 5.140
76 HA LEU 12 HA LEU 12 12.377 2.337 2.678
77 HB2 LEU 12 2HB LEU 12 11.828 5.062 3.776
78 HB3 LEU 12 3HB LEU 12 11.668 4.763 2.047
79 HG LEU 12 HG LEU 12 9.613 4.584 3.706
80 HD11 LEU 12 1HD1 LEU 12 9.824 4.171 1.178
81 HD12 LEU 12 2HD1 LEU 12 8.479 3.424 2.040
82 HD13 LEU 12 3HD1 LEU 12 9.894 2.463 1.610
83 HD21 LEU 12 1HD2 LEU 12 10.844 2.811 5.034
84 HD22 LEU 12 2HD2 LEU 12 10.576 1.734 3.662
85 HD23 LEU 12 3HD2 LEU 12 9.200 2.414 4.534
86 H GLY 13 HN GLY 13 14.484 4.965 3.797
87 HA2 GLY 13 1HA GLY 13 16.155 6.115 2.662
88 HA3 GLY 13 2HA GLY 13 16.726 4.472 2.412
89 H ARG 14 HN ARG 14 16.999 3.828 0.381
90 HA ARG 14 HA ARG 14 16.307 5.581 -1.780
91 HB2 ARG 14 2HB ARG 14 17.620 2.866 -1.674
92 HB3 ARG 14 3HB ARG 14 17.310 3.716 -3.183
93 HG2 ARG 14 2HG ARG 14 18.696 5.586 -2.391
94 HG3 ARG 14 3HG ARG 14 19.043 4.680 -0.917
95 HD2 ARG 14 2HD ARG 14 19.607 2.929 -3.021
96 HD3 ARG 14 3HD ARG 14 20.261 4.488 -3.523
97 HE ARG 14 HE ARG 14 21.135 4.214 -0.967
98 HH11 ARG 14 1HH1 ARG 14 21.318 2.222 -3.816
99 HH12 ARG 14 2HH1 ARG 14 22.826 1.494 -3.370
100 HH21 ARG 14 1HH2 ARG 14 23.120 3.264 -0.368
101 HH22 ARG 14 2HH2 ARG 14 23.850 2.087 -1.408
102 H LEU 15 HN LEU 15 13.941 5.050 -0.730
103 HA LEU 15 HA LEU 15 12.742 2.925 -2.373
104 HB2 LEU 15 2HB LEU 15 12.239 3.941 0.315
105 HB3 LEU 15 3HB LEU 15 10.776 3.791 -0.657
106 HG LEU 15 HG LEU 15 11.669 1.823 0.878
107 HD11 LEU 15 1HD1 LEU 15 10.466 1.503 -1.866
108 HD12 LEU 15 2HD1 LEU 15 9.601 1.747 -0.350
109 HD13 LEU 15 3HD1 LEU 15 10.492 0.251 -0.625
110 HD21 LEU 15 1HD2 LEU 15 13.819 1.909 -0.627
111 HD22 LEU 15 2HD2 LEU 15 12.837 0.923 -1.711
112 HD23 LEU 15 3HD2 LEU 15 13.167 0.369 -0.068
113 H SER 16 HN SER 16 12.526 6.330 -1.513
114 HA SER 16 HA SER 16 11.779 8.086 -2.802
115 HB2 SER 16 2HB SER 16 12.069 6.260 -4.734
116 HB3 SER 16 3HB SER 16 10.308 6.353 -4.726
117 HG SER 16 HG SER 16 12.040 8.050 -5.814
118 HA PRO 17 HA PRO 17 7.834 7.342 -0.532
119 HB2 PRO 17 2HB PRO 17 7.990 9.629 0.921
120 HB3 PRO 17 3HB PRO 17 8.778 8.125 1.411
121 HG2 PRO 17 2HG PRO 17 9.946 10.513 0.035
122 HG3 PRO 17 3HG PRO 17 10.617 9.548 1.363
123 HD2 PRO 17 2HD PRO 17 11.405 9.235 -1.210
124 HD3 PRO 17 3HD PRO 17 11.361 7.888 -0.055
125 H LYS 18 HN LYS 18 8.928 9.372 -2.904
126 HA LYS 18 HA LYS 18 6.958 11.408 -2.916
127 HB2 LYS 18 2HB LYS 18 9.010 11.699 -4.157
128 HB3 LYS 18 3HB LYS 18 8.671 10.275 -5.133
129 HG2 LYS 18 2HG LYS 18 7.295 11.389 -6.511
130 HG3 LYS 18 3HG LYS 18 6.597 12.352 -5.207
131 HD2 LYS 18 2HD LYS 18 8.282 13.946 -5.315
132 HD3 LYS 18 3HD LYS 18 9.407 12.848 -6.117
133 HE2 LYS 18 2HE LYS 18 8.603 13.322 -8.166
134 HE3 LYS 18 3HE LYS 18 6.934 13.398 -7.605
135 HZ1 LYS 18 1HZ LYS 18 8.942 15.519 -7.762
136 HZ2 LYS 18 2HZ LYS 18 7.826 15.592 -6.494
137 HZ3 LYS 18 3HZ LYS 18 7.284 15.574 -8.096
138 H THR 19 HN THR 19 7.071 8.147 -4.179
139 HA THR 19 HA THR 19 4.237 8.394 -4.912
140 HB THR 19 HB THR 19 4.688 8.100 -7.073
141 HG1 THR 19 1HG THR 19 5.646 5.950 -7.624
142 HG21 THR 19 1HG2 THR 19 7.013 7.693 -7.899
143 HG22 THR 19 2HG2 THR 19 7.531 7.557 -6.218
144 HG23 THR 19 3HG2 THR 19 6.867 9.077 -6.817
145 H ASN 20 HN ASN 20 6.430 6.939 -2.998
146 HA ASN 20 HA ASN 20 5.316 4.251 -3.120
147 HB2 ASN 20 2HB ASN 20 7.520 5.473 -1.452
148 HB3 ASN 20 3HB ASN 20 6.978 3.806 -1.272
149 HD21 ASN 20 1HD2 ASN 20 9.053 3.082 -1.829
150 HD22 ASN 20 2HD2 ASN 20 9.598 3.087 -3.469
151 H THR 21 HN THR 21 3.426 6.165 -2.447
152 HA THR 21 HA THR 21 2.900 5.497 0.373
153 HB THR 21 HB THR 21 2.241 8.096 -1.024
154 HG1 THR 21 1HG THR 21 3.663 8.938 0.594
155 HG21 THR 21 1HG2 THR 21 1.384 8.791 1.205
156 HG22 THR 21 2HG2 THR 21 1.559 7.122 1.751
157 HG23 THR 21 3HG2 THR 21 0.428 7.514 0.456
158 H CYS 22 HN CYS 22 1.351 3.995 0.314
159 HA CYS 22 HA CYS 22 -0.380 3.254 -1.587
160 HB2 CYS 22 2HB CYS 22 -0.196 2.250 0.700
161 HB3 CYS 22 3HB CYS 22 -1.220 3.549 1.302
162 H ARG 23 HN ARG 23 -1.964 4.126 -2.745
163 HA ARG 23 HA ARG 23 -2.833 6.812 -2.222
164 HB2 ARG 23 2HB ARG 23 -4.331 5.285 -4.234
165 HB3 ARG 23 3HB ARG 23 -3.495 6.825 -4.378
166 HG2 ARG 23 2HG ARG 23 -1.365 5.254 -4.245
167 HG3 ARG 23 3HG ARG 23 -2.515 4.076 -4.879
168 HD2 ARG 23 2HD ARG 23 -2.092 6.795 -6.098
169 HD3 ARG 23 3HD ARG 23 -1.198 5.361 -6.603
170 HE ARG 23 HE ARG 23 -3.937 4.785 -6.695
171 HH11 ARG 23 1HH1 ARG 23 -1.579 6.774 -8.310
172 HH12 ARG 23 2HH1 ARG 23 -2.422 6.772 -9.824
173 HH21 ARG 23 1HH2 ARG 23 -5.055 4.774 -8.683
174 HH22 ARG 23 2HH2 ARG 23 -4.399 5.634 -10.035
175 H GLY 24 HN GLY 24 -3.724 3.953 -0.892
176 HA2 GLY 24 1HA GLY 24 -6.543 4.782 -0.589
177 HA3 GLY 24 2HA GLY 24 -5.983 3.121 -0.467
178 H CYS 25 HN CYS 25 -3.591 4.530 1.038
179 HA CYS 25 HA CYS 25 -4.979 4.725 3.630
180 HB2 CYS 25 2HB CYS 25 -2.371 3.334 2.999
181 HB3 CYS 25 3HB CYS 25 -2.916 3.686 4.635
182 H ASN 26 HN ASN 26 -2.355 5.794 1.575
183 HA ASN 26 HA ASN 26 -1.338 7.853 1.498
184 HB2 ASN 26 2HB ASN 26 -2.383 8.630 4.192
185 HB3 ASN 26 3HB ASN 26 -2.084 9.635 2.777
186 HD21 ASN 26 1HD2 ASN 26 -4.430 9.659 4.348
187 HD22 ASN 26 2HD2 ASN 26 -5.743 9.154 3.345
188 H HIS 27 HN HIS 27 -0.633 5.336 3.174
189 HA HIS 27 HA HIS 27 1.483 6.563 4.809
190 HB2 HIS 27 2HB HIS 27 0.336 3.766 4.930
191 HB3 HIS 27 3HB HIS 27 1.612 4.388 5.971
192 HD1 HIS 27 1HD HIS 27 0.405 7.104 6.731
193 HD2 HIS 27 2HD HIS 27 -1.735 3.544 6.679
194 HE1 HIS 27 1HE HIS 27 -1.539 7.466 8.285
195 H LEU 28 HN LEU 28 3.515 5.161 4.939
196 HA LEU 28 HA LEU 28 4.469 4.776 2.243
197 HB2 LEU 28 2HB LEU 28 5.765 4.647 4.950
198 HB3 LEU 28 3HB LEU 28 6.627 4.206 3.477
199 HG LEU 28 HG LEU 28 5.501 6.919 4.165
200 HD11 LEU 28 1HD1 LEU 28 7.874 5.738 4.935
201 HD12 LEU 28 2HD1 LEU 28 7.526 7.466 4.906
202 HD13 LEU 28 3HD1 LEU 28 8.323 6.704 3.530
203 HD21 LEU 28 1HD2 LEU 28 5.296 7.063 1.921
204 HD22 LEU 28 2HD2 LEU 28 6.414 5.732 1.622
205 HD23 LEU 28 3HD2 LEU 28 7.036 7.337 2.001
206 H VAL 29 HN VAL 29 5.370 2.865 1.406
207 HA VAL 29 HA VAL 29 5.144 0.392 2.885
208 HB VAL 29 HB VAL 29 3.814 -0.158 0.434
209 HG11 VAL 29 1HG1 VAL 29 2.430 -0.108 3.079
210 HG12 VAL 29 2HG1 VAL 29 2.342 -1.307 1.787
211 HG13 VAL 29 3HG1 VAL 29 3.772 -1.221 2.817
212 HG21 VAL 29 1HG2 VAL 29 2.368 1.936 2.047
213 HG22 VAL 29 2HG2 VAL 29 3.220 2.277 0.540
214 HG23 VAL 29 3HG2 VAL 29 1.842 1.177 0.544
215 H CYS 30 HN CYS 30 7.054 -0.497 2.472
216 HA CYS 30 HA CYS 30 8.806 0.092 0.445
217 HB2 CYS 30 2HB CYS 30 9.962 -1.967 0.978
218 HB3 CYS 30 3HB CYS 30 9.343 -1.255 2.465
219 H ARG 31 HN ARG 31 9.609 -1.749 -1.149
220 HA ARG 31 HA ARG 31 7.441 -2.102 -3.030
221 HB2 ARG 31 2HB ARG 31 9.230 -2.942 -4.540
222 HB3 ARG 31 3HB ARG 31 9.555 -1.336 -3.899
223 HG2 ARG 31 2HG ARG 31 11.062 -2.326 -2.230
224 HG3 ARG 31 3HG ARG 31 10.764 -3.918 -2.930
225 HD2 ARG 31 2HD ARG 31 11.489 -2.132 -5.023
226 HD3 ARG 31 3HD ARG 31 12.663 -1.966 -3.718
227 HE ARG 31 HE ARG 31 12.239 -4.691 -4.186
228 HH11 ARG 31 1HH1 ARG 31 13.615 -1.911 -5.764
229 HH12 ARG 31 2HH1 ARG 31 14.763 -2.833 -6.677
230 HH21 ARG 31 1HH2 ARG 31 13.744 -5.917 -5.382
231 HH22 ARG 31 2HH2 ARG 31 14.835 -5.113 -6.460
232 H ASP 32 HN ASP 32 7.698 -3.701 -0.467
233 HA ASP 32 HA ASP 32 7.477 -6.360 -1.714
234 HB2 ASP 32 2HB ASP 32 9.520 -5.936 -0.188
235 HB3 ASP 32 3HB ASP 32 8.359 -5.972 1.136
236 H CYS 33 HN CYS 33 6.007 -3.925 0.104
237 HA CYS 33 HA CYS 33 3.979 -5.773 1.165
238 HB2 CYS 33 2HB CYS 33 4.757 -2.964 1.945
239 HB3 CYS 33 3HB CYS 33 3.268 -3.720 2.506
240 H ARG 34 HN ARG 34 4.455 -4.245 -1.572
241 HA ARG 34 HA ARG 34 1.759 -3.100 -1.797
242 HB2 ARG 34 2HB ARG 34 3.433 -2.802 -4.149
243 HB3 ARG 34 3HB ARG 34 2.624 -1.572 -3.188
244 HG2 ARG 34 2HG ARG 34 4.473 -1.569 -1.607
245 HG3 ARG 34 3HG ARG 34 5.281 -2.832 -2.538
246 HD2 ARG 34 2HD ARG 34 4.565 -0.097 -3.588
247 HD3 ARG 34 3HD ARG 34 6.160 -0.566 -3.000
248 HE ARG 34 HE ARG 34 5.625 -2.409 -4.914
249 HH11 ARG 34 1HH1 ARG 34 5.598 1.072 -4.845
250 HH12 ARG 34 2HH1 ARG 34 6.019 1.238 -6.518
251 HH21 ARG 34 1HH2 ARG 34 6.180 -2.203 -7.117
252 HH22 ARG 34 2HH2 ARG 34 6.349 -0.625 -7.809
253 H ILE 35 HN ILE 35 0.280 -3.868 -3.249
254 HA ILE 35 HA ILE 35 0.994 -6.380 -4.614
255 HB ILE 35 HB ILE 35 -1.562 -5.492 -3.317
256 HG12 ILE 35 2HG1 ILE 35 -1.418 -7.761 -2.319
257 HG13 ILE 35 3HG1 ILE 35 0.085 -8.027 -3.196
258 HG21 ILE 35 1HG2 ILE 35 -2.562 -7.587 -4.365
259 HG22 ILE 35 2HG2 ILE 35 -2.375 -6.180 -5.409
260 HG23 ILE 35 3HG2 ILE 35 -1.226 -7.512 -5.513
261 HD11 ILE 35 1HD1 ILE 35 0.000 -5.613 -1.521
262 HD12 ILE 35 2HD1 ILE 35 -0.042 -7.153 -0.664
263 HD13 ILE 35 3HD1 ILE 35 1.290 -6.791 -1.761
264 H GLN 36 HN GLN 36 1.287 -6.044 -6.715
265 HA GLN 36 HA GLN 36 0.581 -3.883 -8.231
266 HB2 GLN 36 2HB GLN 36 1.522 -6.552 -8.733
267 HB3 GLN 36 3HB GLN 36 0.340 -6.104 -9.956
268 HG2 GLN 36 2HG GLN 36 2.507 -4.183 -9.276
269 HG3 GLN 36 3HG GLN 36 2.882 -5.584 -10.279
270 HE21 GLN 36 1HE2 GLN 36 0.407 -3.054 -10.006
271 HE22 GLN 36 2HE2 GLN 36 0.284 -2.753 -11.703
272 H GLU 37 HN GLU 37 -1.406 -3.007 -8.201
273 HA GLU 37 HA GLU 37 -3.793 -4.601 -8.195
274 HB2 GLU 37 2HB GLU 37 -3.291 -1.635 -8.415
275 HB3 GLU 37 3HB GLU 37 -4.905 -2.328 -8.496
276 HG2 GLU 37 2HG GLU 37 -3.405 -3.283 -6.204
277 HG3 GLU 37 3HG GLU 37 -3.577 -1.529 -6.221
278 H SER 38 HN SER 38 -5.170 -5.043 -9.848
279 HA SER 38 HA SER 38 -4.241 -5.297 -12.434
280 HB2 SER 38 2HB SER 38 -6.314 -6.132 -12.943
281 HB3 SER 38 3HB SER 38 -6.446 -6.160 -11.184
282 HG SER 38 HG SER 38 -8.173 -5.091 -12.569
283 H ASN 39 HN ASN 39 -5.411 -2.489 -10.847
284 HA ASN 39 HA ASN 39 -6.135 -1.050 -13.228
285 HB2 ASN 39 2HB ASN 39 -6.528 0.819 -11.787
286 HB3 ASN 39 3HB ASN 39 -7.105 -0.614 -10.942
287 HD21 ASN 39 1HD2 ASN 39 -6.861 1.101 -9.195
288 HD22 ASN 39 2HD2 ASN 39 -5.355 1.112 -8.349
289 H GLY 40 HN GLY 40 -4.924 1.460 -12.584
290 HA2 GLY 40 1HA GLY 40 -2.240 0.922 -13.641
291 HA3 GLY 40 2HA GLY 40 -3.104 2.447 -13.757
292 H THR 41 HN THR 41 -2.438 0.388 -10.941
293 HA THR 41 HA THR 41 -0.407 2.087 -9.896
294 HB THR 41 HB THR 41 -2.634 3.380 -9.545
295 HG1 THR 41 1HG THR 41 -0.397 3.428 -8.347
296 HG21 THR 41 1HG2 THR 41 -4.170 2.597 -8.107
297 HG22 THR 41 2HG2 THR 41 -2.947 2.032 -6.969
298 HG23 THR 41 3HG2 THR 41 -3.398 1.031 -8.349
299 H TRP 42 HN TRP 42 -0.929 1.614 -7.137
300 HA TRP 42 HA TRP 42 -1.169 -1.279 -6.875
301 HB2 TRP 42 2HB TRP 42 0.966 -1.477 -5.674
302 HB3 TRP 42 3HB TRP 42 1.212 -0.933 -7.331
303 HD1 TRP 42 1HD TRP 42 2.571 1.239 -7.652
304 HE1 TRP 42 1HE TRP 42 3.543 3.026 -6.076
305 HE3 TRP 42 3HE TRP 42 0.374 -0.252 -3.283
306 HZ2 TRP 42 2HZ TRP 42 3.399 3.712 -3.342
307 HZ3 TRP 42 3HZ TRP 42 0.845 1.023 -1.232
308 HH2 TRP 42 2HH TRP 42 2.327 2.964 -1.262
309 H ARG 43 HN ARG 43 -1.501 -1.988 -4.710
310 HA ARG 43 HA ARG 43 -1.996 0.127 -2.737
311 HB2 ARG 43 2HB ARG 43 -3.944 -1.983 -3.647
312 HB3 ARG 43 3HB ARG 43 -4.097 -1.179 -2.090
313 HG2 ARG 43 2HG ARG 43 -3.749 0.816 -4.075
314 HG3 ARG 43 3HG ARG 43 -4.993 -0.307 -4.629
315 HD2 ARG 43 2HD ARG 43 -5.017 0.784 -1.837
316 HD3 ARG 43 3HD ARG 43 -5.696 1.705 -3.178
317 HE ARG 43 HE ARG 43 -6.680 -0.991 -3.013
318 HH11 ARG 43 1HH1 ARG 43 -7.091 2.281 -1.896
319 HH12 ARG 43 2HH1 ARG 43 -8.766 2.074 -1.505
320 HH21 ARG 43 1HH2 ARG 43 -8.884 -1.274 -2.504
321 HH22 ARG 43 2HH2 ARG 43 -9.785 0.052 -1.851
322 H CYS 44 HN CYS 44 -1.379 -0.372 -0.711
323 HA CYS 44 HA CYS 44 0.391 -2.333 -0.095
324 HB2 CYS 44 2HB CYS 44 0.000 -1.888 2.205
325 HB3 CYS 44 3HB CYS 44 -0.340 -0.383 1.357
326 H LYS 45 HN LYS 45 0.122 -4.207 1.434
327 HA LYS 45 HA LYS 45 -1.581 -6.140 0.268
328 HB2 LYS 45 2HB LYS 45 -0.486 -6.608 2.993
329 HB3 LYS 45 3HB LYS 45 -0.501 -7.669 1.591
330 HG2 LYS 45 2HG LYS 45 1.230 -6.092 0.588
331 HG3 LYS 45 3HG LYS 45 1.385 -5.423 2.213
332 HD2 LYS 45 2HD LYS 45 2.963 -7.022 2.433
333 HD3 LYS 45 3HD LYS 45 1.573 -8.061 2.755
334 HE2 LYS 45 2HE LYS 45 1.619 -8.216 0.085
335 HE3 LYS 45 3HE LYS 45 3.330 -7.904 0.375
336 HZ1 LYS 45 1HZ LYS 45 2.633 -9.820 2.209
337 HZ2 LYS 45 2HZ LYS 45 3.515 -10.063 0.787
338 HZ3 LYS 45 3HZ LYS 45 1.839 -10.294 0.792
339 H VAL 46 HN VAL 46 -2.070 -3.833 2.744
340 HA VAL 46 HA VAL 46 -4.228 -5.262 4.037
341 HB VAL 46 HB VAL 46 -3.522 -2.348 4.370
342 HG11 VAL 46 1HG1 VAL 46 -4.593 -2.572 6.526
343 HG12 VAL 46 2HG1 VAL 46 -5.703 -3.096 5.257
344 HG13 VAL 46 3HG1 VAL 46 -4.863 -4.292 6.247
345 HG21 VAL 46 1HG2 VAL 46 -2.544 -4.320 6.337
346 HG22 VAL 46 2HG2 VAL 46 -1.719 -4.301 4.778
347 HG23 VAL 46 3HG2 VAL 46 -1.798 -2.832 5.752
348 H CYS 47 HN CYS 47 -3.839 -3.132 1.378
349 HA CYS 47 HA CYS 47 -6.691 -2.454 1.356
350 HB2 CYS 47 2HB CYS 47 -4.275 -1.325 -0.021
351 HB3 CYS 47 3HB CYS 47 -5.882 -1.033 -0.679
352 H ALA 48 HN ALA 48 -4.173 -3.763 -0.791
353 HA ALA 48 HA ALA 48 -5.931 -4.497 -2.876
354 HB1 ALA 48 1HB ALA 48 -3.390 -5.986 -2.411
355 HB2 ALA 48 2HB ALA 48 -4.100 -5.411 -3.920
356 HB3 ALA 48 3HB ALA 48 -3.325 -4.272 -2.820
357 H LYS 49 HN LYS 49 -5.336 -5.870 0.185
358 HA LYS 49 HA LYS 49 -5.685 -8.588 -0.227
359 HB2 LYS 49 2HB LYS 49 -5.657 -6.822 1.983
360 HB3 LYS 49 3HB LYS 49 -7.117 -7.791 2.129
361 HG2 LYS 49 2HG LYS 49 -5.179 -9.641 1.470
362 HG3 LYS 49 3HG LYS 49 -4.346 -8.525 2.555
363 HD2 LYS 49 2HD LYS 49 -6.289 -8.779 4.135
364 HD3 LYS 49 3HD LYS 49 -6.873 -10.077 3.091
365 HE2 LYS 49 2HE LYS 49 -4.228 -9.986 4.539
366 HE3 LYS 49 3HE LYS 49 -5.615 -10.992 4.954
367 HZ1 LYS 49 1HZ LYS 49 -4.979 -12.511 3.490
368 HZ2 LYS 49 2HZ LYS 49 -3.542 -11.648 3.269
369 HZ3 LYS 49 3HZ LYS 49 -4.859 -11.372 2.244
370 H GLU 50 HN GLU 50 -7.719 -9.801 0.604
371 HA GLU 50 HA GLU 50 -9.909 -8.979 -1.112
372 HB2 GLU 50 2HB GLU 50 -9.267 -11.297 -1.216
373 HB3 GLU 50 3HB GLU 50 -9.433 -11.470 0.526
374 HG2 GLU 50 2HG GLU 50 -11.842 -11.082 0.327
375 HG3 GLU 50 3HG GLU 50 -11.666 -10.942 -1.421
376 H ILE 51 HN ILE 51 -10.764 -7.193 -0.020
377 HA ILE 51 HA ILE 51 -12.780 -7.775 1.876
378 HB ILE 51 HB ILE 51 -10.840 -7.857 3.410
379 HG12 ILE 51 2HG1 ILE 51 -12.566 -5.422 3.897
380 HG13 ILE 51 3HG1 ILE 51 -13.116 -7.077 4.129
381 HG21 ILE 51 1HG2 ILE 51 -9.469 -6.208 2.135
382 HG22 ILE 51 2HG2 ILE 51 -10.493 -4.930 2.790
383 HG23 ILE 51 3HG2 ILE 51 -9.517 -5.920 3.874
384 HD11 ILE 51 1HD1 ILE 51 -12.517 -6.483 6.257
385 HD12 ILE 51 2HD1 ILE 51 -11.031 -7.242 5.684
386 HD13 ILE 51 3HD1 ILE 51 -11.168 -5.485 5.716
387 H GLU 52 HN GLU 52 -14.228 -6.085 2.120
388 HA GLU 52 HA GLU 52 -13.580 -3.621 0.639
389 HB2 GLU 52 2HB GLU 52 -16.010 -3.525 0.042
390 HB3 GLU 52 3HB GLU 52 -15.134 -4.862 -0.690
391 HG2 GLU 52 2HG GLU 52 -16.054 -6.406 0.906
392 HG3 GLU 52 3HG GLU 52 -16.831 -5.089 1.783
393 H LEU 53 HN LEU 53 -15.497 -1.952 1.200
394 HA LEU 53 HA LEU 53 -16.334 -0.512 2.747
395 HB2 LEU 53 2HB LEU 53 -17.686 -2.466 3.377
396 HB3 LEU 53 3HB LEU 53 -16.425 -2.962 4.502
397 HG LEU 53 HG LEU 53 -16.968 -1.337 6.038
398 HD11 LEU 53 1HD1 LEU 53 -18.299 0.218 3.826
399 HD12 LEU 53 2HD1 LEU 53 -16.738 0.574 4.563
400 HD13 LEU 53 3HD1 LEU 53 -18.214 0.709 5.518
401 HD21 LEU 53 1HD2 LEU 53 -19.719 -1.308 5.010
402 HD22 LEU 53 2HD2 LEU 53 -19.090 -1.859 6.564
403 HD23 LEU 53 3HD2 LEU 53 -18.993 -2.910 5.150
Start of MODEL 2
1 H1 SER 1 HN SER 1 8.939 10.529 12.534
2 HA SER 1 HA SER 1 7.742 10.287 10.404
3 HB2 SER 1 2HB SER 1 7.668 12.396 8.985
4 HB3 SER 1 3HB SER 1 6.586 12.372 10.377
5 HG SER 1 HG SER 1 9.151 13.439 10.701
6 H ASP 2 HN ASP 2 9.510 9.011 9.953
7 HA ASP 2 HA ASP 2 11.842 10.404 8.808
8 HB2 ASP 2 2HB ASP 2 11.787 8.551 10.903
9 HB3 ASP 2 3HB ASP 2 12.357 7.638 9.509
10 H ARG 3 HN ARG 3 9.165 8.598 8.076
11 HA ARG 3 HA ARG 3 8.465 7.827 6.024
12 HB2 ARG 3 2HB ARG 3 11.286 7.745 5.006
13 HB3 ARG 3 3HB ARG 3 9.792 7.990 4.111
14 HG2 ARG 3 2HG ARG 3 10.042 10.115 5.966
15 HG3 ARG 3 3HG ARG 3 11.588 9.929 5.135
16 HD2 ARG 3 2HD ARG 3 10.692 10.409 3.073
17 HD3 ARG 3 3HD ARG 3 9.075 9.876 3.536
18 HE ARG 3 HE ARG 3 10.110 12.510 3.724
19 HH11 ARG 3 1HH1 ARG 3 8.022 10.242 5.340
20 HH12 ARG 3 2HH1 ARG 3 7.047 11.468 6.080
21 HH21 ARG 3 1HH2 ARG 3 8.834 14.133 4.692
22 HH22 ARG 3 2HH2 ARG 3 7.509 13.680 5.710
23 H THR 4 HN THR 4 8.166 5.982 7.526
24 HA THR 4 HA THR 4 9.902 3.721 6.771
25 HB THR 4 HB THR 4 8.378 3.278 9.208
26 HG1 THR 4 1HG THR 4 8.690 5.363 9.781
27 HG21 THR 4 1HG2 THR 4 10.274 1.905 8.387
28 HG22 THR 4 2HG2 THR 4 10.516 2.499 10.029
29 HG23 THR 4 3HG2 THR 4 11.350 3.270 8.680
30 H CYS 5 HN CYS 5 8.926 1.745 6.318
31 HA CYS 5 HA CYS 5 6.502 1.771 4.981
32 HB2 CYS 5 2HB CYS 5 8.271 0.014 4.783
33 HB3 CYS 5 3HB CYS 5 7.741 -0.634 6.332
34 H ALA 6 HN ALA 6 4.418 1.066 5.476
35 HA ALA 6 HA ALA 6 3.695 1.376 8.283
36 HB1 ALA 6 1HB ALA 6 1.853 2.337 7.500
37 HB2 ALA 6 2HB ALA 6 2.503 2.146 5.872
38 HB3 ALA 6 3HB ALA 6 1.449 0.905 6.552
39 H ARG 7 HN ARG 7 4.787 -1.125 6.660
40 HA ARG 7 HA ARG 7 2.955 -3.022 7.969
41 HB2 ARG 7 2HB ARG 7 4.421 -3.707 5.438
42 HB3 ARG 7 3HB ARG 7 3.018 -4.494 6.145
43 HG2 ARG 7 2HG ARG 7 3.086 -1.800 4.806
44 HG3 ARG 7 3HG ARG 7 2.362 -3.281 4.176
45 HD2 ARG 7 2HD ARG 7 1.356 -1.381 6.187
46 HD3 ARG 7 3HD ARG 7 0.476 -2.397 5.045
47 HE ARG 7 HE ARG 7 1.006 -2.980 7.766
48 HH11 ARG 7 1HH1 ARG 7 0.785 -4.471 4.627
49 HH12 ARG 7 2HH1 ARG 7 0.339 -6.024 5.253
50 HH21 ARG 7 1HH2 ARG 7 0.421 -5.019 8.602
51 HH22 ARG 7 2HH2 ARG 7 0.132 -6.335 7.514
52 H CYS 8 HN CYS 8 6.229 -2.482 6.719
53 HA CYS 8 HA CYS 8 7.236 -4.588 8.494
54 HB2 CYS 8 2HB CYS 8 8.867 -3.093 6.452
55 HB3 CYS 8 3HB CYS 8 9.175 -4.678 7.153
56 H GLN 9 HN GLN 9 7.129 -1.172 8.082
57 HA GLN 9 HA GLN 9 7.839 0.550 9.390
58 HB2 GLN 9 2HB GLN 9 7.867 -1.759 11.181
59 HB3 GLN 9 3HB GLN 9 9.026 -0.521 11.643
60 HG2 GLN 9 2HG GLN 9 7.430 0.785 12.448
61 HG3 GLN 9 3HG GLN 9 6.482 0.650 10.967
62 HE21 GLN 9 1HE2 GLN 9 5.164 -1.304 10.733
63 HE22 GLN 9 2HE2 GLN 9 4.451 -1.993 12.147
64 H GLU 10 HN GLU 10 9.587 -0.754 7.446
65 HA GLU 10 HA GLU 10 12.233 -0.290 8.635
66 HB2 GLU 10 2HB GLU 10 11.222 -1.975 6.416
67 HB3 GLU 10 3HB GLU 10 12.806 -1.247 6.182
68 HG2 GLU 10 2HG GLU 10 13.616 -2.275 8.215
69 HG3 GLU 10 3HG GLU 10 12.017 -2.943 8.540
70 H SER 11 HN SER 11 13.620 1.237 7.844
71 HA SER 11 HA SER 11 12.701 3.605 6.848
72 HB2 SER 11 2HB SER 11 14.992 3.169 7.789
73 HB3 SER 11 3HB SER 11 15.444 2.490 6.225
74 HG SER 11 HG SER 11 16.034 4.633 6.228
75 H LEU 12 HN LEU 12 12.422 4.553 4.864
76 HA LEU 12 HA LEU 12 12.063 2.725 2.634
77 HB2 LEU 12 2HB LEU 12 11.258 5.543 3.215
78 HB3 LEU 12 3HB LEU 12 11.236 4.948 1.556
79 HG LEU 12 HG LEU 12 9.077 4.896 3.044
80 HD11 LEU 12 1HD1 LEU 12 8.909 4.117 0.862
81 HD12 LEU 12 2HD1 LEU 12 8.459 2.712 1.830
82 HD13 LEU 12 3HD1 LEU 12 10.074 2.820 1.129
83 HD21 LEU 12 1HD2 LEU 12 10.126 2.167 3.691
84 HD22 LEU 12 2HD2 LEU 12 8.758 3.032 4.391
85 HD23 LEU 12 3HD2 LEU 12 10.408 3.523 4.783
86 H GLY 13 HN GLY 13 14.766 3.521 3.590
87 HA2 GLY 13 1HA GLY 13 16.004 5.368 1.911
88 HA3 GLY 13 2HA GLY 13 16.806 3.989 2.648
89 H ARG 14 HN ARG 14 17.205 5.178 0.004
90 HA ARG 14 HA ARG 14 17.264 4.624 -2.228
91 HB2 ARG 14 2HB ARG 14 18.343 2.449 -0.591
92 HB3 ARG 14 3HB ARG 14 17.871 1.937 -2.206
93 HG2 ARG 14 2HG ARG 14 19.737 2.781 -3.034
94 HG3 ARG 14 3HG ARG 14 19.303 4.380 -2.428
95 HD2 ARG 14 2HD ARG 14 20.358 2.474 -0.437
96 HD3 ARG 14 3HD ARG 14 21.502 3.030 -1.657
97 HE ARG 14 HE ARG 14 20.057 5.195 -0.504
98 HH11 ARG 14 1HH1 ARG 14 22.699 2.995 0.043
99 HH12 ARG 14 2HH1 ARG 14 23.545 4.070 1.107
100 HH21 ARG 14 1HH2 ARG 14 21.161 6.619 0.894
101 HH22 ARG 14 2HH2 ARG 14 22.669 6.131 1.592
102 H LEU 15 HN LEU 15 14.615 4.327 -0.958
103 HA LEU 15 HA LEU 15 13.492 2.257 -2.730
104 HB2 LEU 15 2HB LEU 15 13.206 2.548 0.024
105 HB3 LEU 15 3HB LEU 15 11.694 3.152 -0.651
106 HG LEU 15 HG LEU 15 12.708 0.512 -1.585
107 HD11 LEU 15 1HD1 LEU 15 11.366 0.979 1.073
108 HD12 LEU 15 2HD1 LEU 15 12.985 0.332 0.808
109 HD13 LEU 15 3HD1 LEU 15 11.572 -0.593 0.301
110 HD21 LEU 15 1HD2 LEU 15 9.923 1.436 -0.913
111 HD22 LEU 15 2HD2 LEU 15 10.402 0.045 -1.886
112 HD23 LEU 15 3HD2 LEU 15 10.670 1.680 -2.493
113 H SER 16 HN SER 16 13.754 5.550 -2.170
114 HA SER 16 HA SER 16 12.758 7.393 -3.058
115 HB2 SER 16 2HB SER 16 12.326 5.260 -5.035
116 HB3 SER 16 3HB SER 16 11.184 6.597 -5.159
117 HG SER 16 HG SER 16 14.016 6.818 -5.136
118 HA PRO 17 HA PRO 17 8.836 6.388 -0.791
119 HB2 PRO 17 2HB PRO 17 9.104 8.387 1.026
120 HB3 PRO 17 3HB PRO 17 9.830 6.790 1.242
121 HG2 PRO 17 2HG PRO 17 11.090 9.326 0.272
122 HG3 PRO 17 3HG PRO 17 11.728 8.122 1.407
123 HD2 PRO 17 2HD PRO 17 12.481 8.218 -1.193
124 HD3 PRO 17 3HD PRO 17 12.388 6.698 -0.282
125 H LYS 18 HN LYS 18 10.014 8.767 -2.780
126 HA LYS 18 HA LYS 18 8.335 10.947 -2.473
127 HB2 LYS 18 2HB LYS 18 9.935 11.348 -4.064
128 HB3 LYS 18 3HB LYS 18 9.805 9.737 -4.758
129 HG2 LYS 18 2HG LYS 18 8.214 10.351 -6.228
130 HG3 LYS 18 3HG LYS 18 7.448 11.471 -5.098
131 HD2 LYS 18 2HD LYS 18 8.326 12.896 -6.700
132 HD3 LYS 18 3HD LYS 18 9.581 12.901 -5.459
133 HE2 LYS 18 2HE LYS 18 10.837 11.226 -6.723
134 HE3 LYS 18 3HE LYS 18 9.579 11.211 -7.959
135 HZ1 LYS 18 1HZ LYS 18 10.204 13.239 -8.754
136 HZ2 LYS 18 2HZ LYS 18 11.709 12.677 -8.227
137 HZ3 LYS 18 3HZ LYS 18 10.835 13.770 -7.277
138 H THR 19 HN THR 19 7.748 7.897 -4.162
139 HA THR 19 HA THR 19 4.880 8.521 -4.142
140 HB THR 19 HB THR 19 5.366 8.980 -6.395
141 HG1 THR 19 1HG THR 19 3.951 7.609 -7.181
142 HG21 THR 19 1HG2 THR 19 7.360 8.345 -7.181
143 HG22 THR 19 2HG2 THR 19 6.629 6.776 -7.517
144 HG23 THR 19 3HG2 THR 19 7.487 7.042 -6.000
145 H ASN 20 HN ASN 20 5.471 7.062 -2.181
146 HA ASN 20 HA ASN 20 4.895 4.300 -2.990
147 HB2 ASN 20 2HB ASN 20 6.918 5.129 -0.896
148 HB3 ASN 20 3HB ASN 20 6.394 3.474 -1.191
149 HD21 ASN 20 1HD2 ASN 20 9.043 4.250 -1.334
150 HD22 ASN 20 2HD2 ASN 20 9.580 4.121 -2.971
151 H THR 21 HN THR 21 3.592 6.811 -1.653
152 HA THR 21 HA THR 21 2.685 5.659 0.859
153 HB THR 21 HB THR 21 1.903 8.273 -0.448
154 HG1 THR 21 1HG THR 21 3.627 7.917 1.780
155 HG21 THR 21 1HG2 THR 21 1.003 8.880 1.717
156 HG22 THR 21 2HG2 THR 21 1.509 7.333 2.395
157 HG23 THR 21 3HG2 THR 21 0.246 7.386 1.166
158 H CYS 22 HN CYS 22 1.201 4.098 0.666
159 HA CYS 22 HA CYS 22 -0.475 3.488 -1.374
160 HB2 CYS 22 2HB CYS 22 -0.179 2.191 0.757
161 HB3 CYS 22 3HB CYS 22 -1.295 3.313 1.530
162 H ARG 23 HN ARG 23 -2.296 4.253 -2.274
163 HA ARG 23 HA ARG 23 -3.265 6.835 -1.408
164 HB2 ARG 23 2HB ARG 23 -4.738 5.508 -3.564
165 HB3 ARG 23 3HB ARG 23 -3.979 7.093 -3.529
166 HG2 ARG 23 2HG ARG 23 -1.770 5.903 -3.821
167 HG3 ARG 23 3HG ARG 23 -2.709 4.446 -4.160
168 HD2 ARG 23 2HD ARG 23 -2.758 7.047 -5.684
169 HD3 ARG 23 3HD ARG 23 -2.124 5.498 -6.240
170 HE ARG 23 HE ARG 23 -4.773 5.058 -5.614
171 HH11 ARG 23 1HH1 ARG 23 -2.981 7.085 -7.806
172 HH12 ARG 23 2HH1 ARG 23 -4.234 7.123 -9.002
173 HH21 ARG 23 1HH2 ARG 23 -6.430 5.101 -7.182
174 HH22 ARG 23 2HH2 ARG 23 -6.196 5.995 -8.645
175 H GLY 24 HN GLY 24 -3.908 3.777 -0.443
176 HA2 GLY 24 1HA GLY 24 -6.804 4.123 -0.193
177 HA3 GLY 24 2HA GLY 24 -5.900 2.663 0.176
178 H CYS 25 HN CYS 25 -3.942 3.725 1.862
179 HA CYS 25 HA CYS 25 -5.588 4.524 4.170
180 HB2 CYS 25 2HB CYS 25 -3.627 3.529 5.499
181 HB3 CYS 25 3HB CYS 25 -4.700 2.406 4.670
182 H ASN 26 HN ASN 26 -2.999 5.414 2.127
183 HA ASN 26 HA ASN 26 -1.873 7.406 1.979
184 HB2 ASN 26 2HB ASN 26 -2.844 8.252 4.689
185 HB3 ASN 26 3HB ASN 26 -2.463 9.246 3.287
186 HD21 ASN 26 1HD2 ASN 26 -4.788 9.586 4.706
187 HD22 ASN 26 2HD2 ASN 26 -6.132 9.108 3.731
188 H HIS 27 HN HIS 27 -0.982 4.927 3.344
189 HA HIS 27 HA HIS 27 1.110 6.081 5.068
190 HB2 HIS 27 2HB HIS 27 0.019 3.258 5.051
191 HB3 HIS 27 3HB HIS 27 1.304 3.851 6.100
192 HD1 HIS 27 1HD HIS 27 0.110 6.448 7.116
193 HD2 HIS 27 2HD HIS 27 -2.066 2.928 6.748
194 HE1 HIS 27 1HE HIS 27 -1.823 6.682 8.708
195 H LEU 28 HN LEU 28 3.233 5.067 4.948
196 HA LEU 28 HA LEU 28 4.054 4.703 2.233
197 HB2 LEU 28 2HB LEU 28 5.384 4.858 4.880
198 HB3 LEU 28 3HB LEU 28 6.265 4.069 3.573
199 HG LEU 28 HG LEU 28 5.201 6.892 3.484
200 HD11 LEU 28 1HD1 LEU 28 7.910 7.072 3.388
201 HD12 LEU 28 2HD1 LEU 28 7.687 5.743 4.526
202 HD13 LEU 28 3HD1 LEU 28 6.936 7.307 4.839
203 HD21 LEU 28 1HD2 LEU 28 6.517 5.105 1.529
204 HD22 LEU 28 2HD2 LEU 28 7.075 6.778 1.580
205 HD23 LEU 28 3HD2 LEU 28 5.373 6.423 1.275
206 H VAL 29 HN VAL 29 5.043 2.873 1.309
207 HA VAL 29 HA VAL 29 4.993 0.352 2.734
208 HB VAL 29 HB VAL 29 3.657 -0.081 0.214
209 HG11 VAL 29 1HG1 VAL 29 2.644 -1.697 1.397
210 HG12 VAL 29 2HG1 VAL 29 3.830 -1.299 2.640
211 HG13 VAL 29 3HG1 VAL 29 2.211 -0.603 2.710
212 HG21 VAL 29 1HG2 VAL 29 2.723 2.122 0.484
213 HG22 VAL 29 2HG2 VAL 29 1.480 0.924 0.848
214 HG23 VAL 29 3HG2 VAL 29 2.294 1.777 2.160
215 H CYS 30 HN CYS 30 6.837 -0.611 2.232
216 HA CYS 30 HA CYS 30 8.631 0.178 0.296
217 HB2 CYS 30 2HB CYS 30 9.721 -2.016 0.615
218 HB3 CYS 30 3HB CYS 30 9.266 -1.272 2.146
219 H ARG 31 HN ARG 31 9.465 -1.665 -1.365
220 HA ARG 31 HA ARG 31 7.350 -1.807 -3.342
221 HB2 ARG 31 2HB ARG 31 9.185 -2.637 -4.832
222 HB3 ARG 31 3HB ARG 31 9.479 -1.050 -4.134
223 HG2 ARG 31 2HG ARG 31 11.259 -1.751 -2.953
224 HG3 ARG 31 3HG ARG 31 10.540 -3.323 -2.600
225 HD2 ARG 31 2HD ARG 31 10.965 -3.926 -5.012
226 HD3 ARG 31 3HD ARG 31 11.916 -2.446 -5.128
227 HE ARG 31 HE ARG 31 13.016 -3.693 -3.007
228 HH11 ARG 31 1HH1 ARG 31 12.264 -4.740 -6.242
229 HH12 ARG 31 2HH1 ARG 31 13.563 -5.885 -6.313
230 HH21 ARG 31 1HH2 ARG 31 14.729 -5.197 -3.089
231 HH22 ARG 31 2HH2 ARG 31 14.964 -6.143 -4.518
232 H ASP 32 HN ASP 32 7.668 -3.608 -0.848
233 HA ASP 32 HA ASP 32 7.307 -6.154 -2.287
234 HB2 ASP 32 2HB ASP 32 9.395 -6.012 -0.864
235 HB3 ASP 32 3HB ASP 32 8.339 -5.894 0.539
236 H CYS 33 HN CYS 33 5.969 -3.829 -0.220
237 HA CYS 33 HA CYS 33 3.926 -5.684 0.778
238 HB2 CYS 33 2HB CYS 33 4.700 -2.887 1.609
239 HB3 CYS 33 3HB CYS 33 3.260 -3.700 2.213
240 H ARG 34 HN ARG 34 4.328 -4.142 -1.940
241 HA ARG 34 HA ARG 34 1.698 -2.859 -2.068
242 HB2 ARG 34 2HB ARG 34 3.509 -2.897 -4.425
243 HB3 ARG 34 3HB ARG 34 2.463 -1.614 -3.830
244 HG2 ARG 34 2HG ARG 34 4.029 -1.046 -2.112
245 HG3 ARG 34 3HG ARG 34 5.032 -2.443 -2.503
246 HD2 ARG 34 2HD ARG 34 5.697 -1.516 -4.564
247 HD3 ARG 34 3HD ARG 34 4.428 -0.293 -4.512
248 HE ARG 34 HE ARG 34 5.991 0.188 -2.309
249 HH11 ARG 34 1HH1 ARG 34 6.497 0.015 -5.748
250 HH12 ARG 34 2HH1 ARG 34 7.798 1.161 -5.746
251 HH21 ARG 34 1HH2 ARG 34 7.701 1.697 -2.292
252 HH22 ARG 34 2HH2 ARG 34 8.482 2.116 -3.779
253 H ILE 35 HN ILE 35 0.047 -3.627 -3.288
254 HA ILE 35 HA ILE 35 0.478 -6.232 -4.591
255 HB ILE 35 HB ILE 35 -1.827 -5.086 -3.088
256 HG12 ILE 35 2HG1 ILE 35 -1.933 -7.555 -2.398
257 HG13 ILE 35 3HG1 ILE 35 -0.401 -7.738 -3.245
258 HG21 ILE 35 1HG2 ILE 35 -2.036 -6.922 -5.446
259 HG22 ILE 35 2HG2 ILE 35 -3.208 -6.992 -4.131
260 HG23 ILE 35 3HG2 ILE 35 -3.005 -5.503 -5.053
261 HD11 ILE 35 1HD1 ILE 35 -0.457 -7.285 -0.682
262 HD12 ILE 35 2HD1 ILE 35 0.752 -6.500 -1.699
263 HD13 ILE 35 3HD1 ILE 35 -0.679 -5.609 -1.183
264 H GLN 36 HN GLN 36 0.766 -5.932 -6.710
265 HA GLN 36 HA GLN 36 0.011 -3.797 -8.265
266 HB2 GLN 36 2HB GLN 36 0.430 -6.695 -8.959
267 HB3 GLN 36 3HB GLN 36 0.050 -5.498 -10.189
268 HG2 GLN 36 2HG GLN 36 2.440 -5.896 -10.055
269 HG3 GLN 36 3HG GLN 36 2.044 -4.238 -9.605
270 HE21 GLN 36 1HE2 GLN 36 1.852 -3.812 -7.266
271 HE22 GLN 36 2HE2 GLN 36 2.929 -4.637 -6.197
272 H GLU 37 HN GLU 37 -1.964 -2.954 -8.413
273 HA GLU 37 HA GLU 37 -4.339 -4.556 -8.198
274 HB2 GLU 37 2HB GLU 37 -3.935 -1.633 -8.847
275 HB3 GLU 37 3HB GLU 37 -5.509 -2.388 -8.646
276 HG2 GLU 37 2HG GLU 37 -3.493 -2.634 -6.469
277 HG3 GLU 37 3HG GLU 37 -4.372 -1.119 -6.670
278 H SER 38 HN SER 38 -2.229 -4.158 -10.658
279 HA SER 38 HA SER 38 -2.321 -4.247 -12.945
280 HB2 SER 38 2HB SER 38 -4.319 -6.224 -11.930
281 HB3 SER 38 3HB SER 38 -4.223 -5.944 -13.668
282 HG SER 38 HG SER 38 -1.850 -6.283 -13.294
283 H ASN 39 HN ASN 39 -3.022 -1.962 -12.976
284 HA ASN 39 HA ASN 39 -5.162 -1.584 -14.768
285 HB2 ASN 39 2HB ASN 39 -6.441 -1.972 -12.628
286 HB3 ASN 39 3HB ASN 39 -5.712 -0.496 -12.002
287 HD21 ASN 39 1HD2 ASN 39 -6.668 1.376 -12.425
288 HD22 ASN 39 2HD2 ASN 39 -7.962 1.608 -13.546
289 H GLY 40 HN GLY 40 -2.947 -0.239 -12.411
290 HA2 GLY 40 1HA GLY 40 -1.531 1.459 -13.890
291 HA3 GLY 40 2HA GLY 40 -3.009 2.385 -13.677
292 H THR 41 HN THR 41 -3.146 0.896 -10.944
293 HA THR 41 HA THR 41 -1.206 2.621 -9.550
294 HB THR 41 HB THR 41 -3.600 3.451 -9.433
295 HG1 THR 41 1HG THR 41 -3.322 3.311 -6.881
296 HG21 THR 41 1HG2 THR 41 -4.794 1.380 -9.239
297 HG22 THR 41 2HG2 THR 41 -5.026 2.282 -7.740
298 HG23 THR 41 3HG2 THR 41 -3.888 0.936 -7.793
299 H TRP 42 HN TRP 42 -1.932 1.775 -6.951
300 HA TRP 42 HA TRP 42 -1.760 -1.092 -6.807
301 HB2 TRP 42 2HB TRP 42 0.434 -1.170 -5.699
302 HB3 TRP 42 3HB TRP 42 0.568 -0.563 -7.347
303 HD1 TRP 42 1HD TRP 42 1.543 1.840 -7.678
304 HE1 TRP 42 1HE TRP 42 2.537 3.597 -6.080
305 HE3 TRP 42 3HE TRP 42 0.153 -0.241 -3.219
306 HZ2 TRP 42 2HZ TRP 42 2.708 4.042 -3.298
307 HZ3 TRP 42 3HZ TRP 42 0.771 0.914 -1.136
308 HH2 TRP 42 2HH TRP 42 2.024 3.010 -1.177
309 H ARG 43 HN ARG 43 -1.717 -1.871 -4.571
310 HA ARG 43 HA ARG 43 -2.317 0.121 -2.525
311 HB2 ARG 43 2HB ARG 43 -4.234 -1.964 -3.521
312 HB3 ARG 43 3HB ARG 43 -4.310 -1.409 -1.853
313 HG2 ARG 43 2HG ARG 43 -4.252 0.665 -3.964
314 HG3 ARG 43 3HG ARG 43 -5.725 -0.295 -3.804
315 HD2 ARG 43 2HD ARG 43 -5.016 0.377 -1.195
316 HD3 ARG 43 3HD ARG 43 -4.721 1.840 -2.136
317 HE ARG 43 HE ARG 43 -6.974 2.126 -2.146
318 HH11 ARG 43 1HH1 ARG 43 -6.317 -1.291 -2.024
319 HH12 ARG 43 2HH1 ARG 43 -7.990 -1.744 -2.007
320 HH21 ARG 43 1HH2 ARG 43 -9.179 1.542 -2.124
321 HH22 ARG 43 2HH2 ARG 43 -9.617 -0.132 -2.064
322 H CYS 44 HN CYS 44 -1.539 -0.431 -0.575
323 HA CYS 44 HA CYS 44 0.302 -2.401 -0.172
324 HB2 CYS 44 2HB CYS 44 0.071 -2.032 2.189
325 HB3 CYS 44 3HB CYS 44 -0.200 -0.494 1.376
326 H LYS 45 HN LYS 45 0.093 -4.238 1.494
327 HA LYS 45 HA LYS 45 -1.754 -6.145 0.428
328 HB2 LYS 45 2HB LYS 45 -0.354 -6.789 2.951
329 HB3 LYS 45 3HB LYS 45 -0.475 -7.714 1.459
330 HG2 LYS 45 2HG LYS 45 1.121 -5.913 0.504
331 HG3 LYS 45 3HG LYS 45 1.465 -5.569 2.200
332 HD2 LYS 45 2HD LYS 45 3.054 -7.156 1.858
333 HD3 LYS 45 3HD LYS 45 1.711 -8.227 2.259
334 HE2 LYS 45 2HE LYS 45 1.222 -8.435 -0.163
335 HE3 LYS 45 3HE LYS 45 2.655 -7.466 -0.503
336 HZ1 LYS 45 1HZ LYS 45 4.004 -9.189 -0.115
337 HZ2 LYS 45 2HZ LYS 45 2.629 -10.146 -0.338
338 HZ3 LYS 45 3HZ LYS 45 3.125 -9.730 1.225
339 H VAL 46 HN VAL 46 -2.023 -3.782 2.786
340 HA VAL 46 HA VAL 46 -3.941 -5.250 4.423
341 HB VAL 46 HB VAL 46 -3.208 -2.344 4.720
342 HG11 VAL 46 1HG1 VAL 46 -5.102 -2.895 6.015
343 HG12 VAL 46 2HG1 VAL 46 -4.399 -4.428 6.532
344 HG13 VAL 46 3HG1 VAL 46 -3.739 -2.905 7.132
345 HG21 VAL 46 1HG2 VAL 46 -1.785 -4.749 5.853
346 HG22 VAL 46 2HG2 VAL 46 -1.127 -3.565 4.725
347 HG23 VAL 46 3HG2 VAL 46 -1.521 -3.086 6.376
348 H CYS 47 HN CYS 47 -3.866 -3.063 1.777
349 HA CYS 47 HA CYS 47 -6.686 -2.348 2.138
350 HB2 CYS 47 2HB CYS 47 -4.481 -1.252 0.408
351 HB3 CYS 47 3HB CYS 47 -6.169 -0.871 0.084
352 H ALA 48 HN ALA 48 -4.482 -3.823 -0.212
353 HA ALA 48 HA ALA 48 -6.467 -4.417 -2.144
354 HB1 ALA 48 1HB ALA 48 -4.177 -6.229 -2.104
355 HB2 ALA 48 2HB ALA 48 -4.750 -5.149 -3.376
356 HB3 ALA 48 3HB ALA 48 -3.733 -4.522 -2.078
357 H LYS 49 HN LYS 49 -5.472 -5.958 0.788
358 HA LYS 49 HA LYS 49 -6.211 -8.595 0.357
359 HB2 LYS 49 2HB LYS 49 -5.562 -6.957 2.589
360 HB3 LYS 49 3HB LYS 49 -7.031 -7.838 2.988
361 HG2 LYS 49 2HG LYS 49 -5.391 -9.749 1.834
362 HG3 LYS 49 3HG LYS 49 -4.299 -8.769 2.816
363 HD2 LYS 49 2HD LYS 49 -6.472 -9.097 4.465
364 HD3 LYS 49 3HD LYS 49 -6.381 -10.648 3.630
365 HE2 LYS 49 2HE LYS 49 -4.395 -11.198 4.582
366 HE3 LYS 49 3HE LYS 49 -3.835 -9.527 4.637
367 HZ1 LYS 49 1HZ LYS 49 -4.192 -9.944 6.838
368 HZ2 LYS 49 2HZ LYS 49 -5.486 -10.996 6.564
369 HZ3 LYS 49 3HZ LYS 49 -5.709 -9.326 6.419
370 H GLU 50 HN GLU 50 -8.239 -6.038 1.810
371 HA GLU 50 HA GLU 50 -10.543 -6.660 0.343
372 HB2 GLU 50 2HB GLU 50 -10.205 -8.721 1.926
373 HB3 GLU 50 3HB GLU 50 -10.857 -7.646 3.155
374 HG2 GLU 50 2HG GLU 50 -12.876 -7.335 1.831
375 HG3 GLU 50 3HG GLU 50 -12.222 -8.388 0.577
376 H ILE 51 HN ILE 51 -9.835 -4.282 0.573
377 HA ILE 51 HA ILE 51 -10.115 -2.719 2.789
378 HB ILE 51 HB ILE 51 -10.049 -2.257 0.017
379 HG12 ILE 51 2HG1 ILE 51 -8.610 -1.160 1.622
380 HG13 ILE 51 3HG1 ILE 51 -9.507 0.070 0.738
381 HG21 ILE 51 1HG2 ILE 51 -11.676 -0.497 -0.330
382 HG22 ILE 51 2HG2 ILE 51 -12.495 -1.996 0.108
383 HG23 ILE 51 3HG2 ILE 51 -12.298 -0.718 1.305
384 HD11 ILE 51 1HD1 ILE 51 -10.974 -0.657 3.070
385 HD12 ILE 51 2HD1 ILE 51 -9.310 -0.278 3.517
386 HD13 ILE 51 3HD1 ILE 51 -10.276 0.901 2.631
387 H GLU 52 HN GLU 52 -12.639 -4.319 1.002
388 HA GLU 52 HA GLU 52 -14.518 -4.049 3.084
389 HB2 GLU 52 2HB GLU 52 -14.414 -1.846 1.252
390 HB3 GLU 52 3HB GLU 52 -15.941 -2.693 1.047
391 HG2 GLU 52 2HG GLU 52 -15.826 -2.554 3.735
392 HG3 GLU 52 3HG GLU 52 -14.956 -1.084 3.300
393 H LEU 53 HN LEU 53 -16.643 -4.967 2.504
394 HA LEU 53 HA LEU 53 -16.295 -7.073 0.515
395 HB2 LEU 53 2HB LEU 53 -18.207 -8.130 1.560
396 HB3 LEU 53 3HB LEU 53 -16.995 -7.701 2.766
397 HG LEU 53 HG LEU 53 -18.598 -5.539 2.917
398 HD11 LEU 53 1HD1 LEU 53 -20.247 -7.791 1.862
399 HD12 LEU 53 2HD1 LEU 53 -20.324 -6.068 1.490
400 HD13 LEU 53 3HD1 LEU 53 -20.943 -6.666 3.030
401 HD21 LEU 53 1HD2 LEU 53 -19.815 -7.156 4.707
402 HD22 LEU 53 2HD2 LEU 53 -18.232 -6.419 4.956
403 HD23 LEU 53 3HD2 LEU 53 -18.351 -8.081 4.375
Start of MODEL 3
1 H1 SER 1 HN SER 1 8.117 9.422 11.456
2 HA SER 1 HA SER 1 8.284 11.731 9.672
3 HB2 SER 1 2HB SER 1 8.529 12.911 11.560
4 HB3 SER 1 3HB SER 1 8.341 11.416 12.477
5 HG SER 1 HG SER 1 10.303 12.455 12.982
6 H ASP 2 HN ASP 2 9.763 8.846 9.867
7 HA ASP 2 HA ASP 2 12.351 9.938 8.976
8 HB2 ASP 2 2HB ASP 2 11.723 7.555 10.687
9 HB3 ASP 2 3HB ASP 2 13.189 7.575 9.712
10 H ARG 3 HN ARG 3 9.593 8.334 8.052
11 HA ARG 3 HA ARG 3 9.029 7.527 5.972
12 HB2 ARG 3 2HB ARG 3 11.917 7.164 5.248
13 HB3 ARG 3 3HB ARG 3 10.543 7.479 4.197
14 HG2 ARG 3 2HG ARG 3 10.747 9.681 5.937
15 HG3 ARG 3 3HG ARG 3 12.378 9.322 5.368
16 HD2 ARG 3 2HD ARG 3 11.202 9.149 3.037
17 HD3 ARG 3 3HD ARG 3 9.956 10.121 3.818
18 HE ARG 3 HE ARG 3 12.500 11.015 2.919
19 HH11 ARG 3 1HH1 ARG 3 10.104 11.489 5.400
20 HH12 ARG 3 2HH1 ARG 3 10.552 13.136 5.701
21 HH21 ARG 3 1HH2 ARG 3 13.098 13.183 3.306
22 HH22 ARG 3 2HH2 ARG 3 12.254 14.099 4.508
23 H THR 4 HN THR 4 8.555 5.826 7.701
24 HA THR 4 HA THR 4 10.100 3.380 7.140
25 HB THR 4 HB THR 4 8.369 3.162 9.454
26 HG1 THR 4 1HG THR 4 10.207 5.317 9.328
27 HG21 THR 4 1HG2 THR 4 11.366 2.975 9.123
28 HG22 THR 4 2HG2 THR 4 10.222 1.645 8.938
29 HG23 THR 4 3HG2 THR 4 10.443 2.406 10.513
30 H CYS 5 HN CYS 5 9.014 1.487 6.652
31 HA CYS 5 HA CYS 5 6.658 1.671 5.182
32 HB2 CYS 5 2HB CYS 5 8.379 -0.179 5.092
33 HB3 CYS 5 3HB CYS 5 7.645 -0.832 6.553
34 H ALA 6 HN ALA 6 4.520 1.184 5.594
35 HA ALA 6 HA ALA 6 3.701 1.485 8.364
36 HB1 ALA 6 1HB ALA 6 2.531 2.010 5.764
37 HB2 ALA 6 2HB ALA 6 1.405 1.196 6.849
38 HB3 ALA 6 3HB ALA 6 2.156 2.715 7.336
39 H ARG 7 HN ARG 7 4.603 -1.076 6.577
40 HA ARG 7 HA ARG 7 2.714 -2.879 7.941
41 HB2 ARG 7 2HB ARG 7 4.095 -3.568 5.357
42 HB3 ARG 7 3HB ARG 7 2.706 -4.352 6.097
43 HG2 ARG 7 2HG ARG 7 2.788 -1.657 4.764
44 HG3 ARG 7 3HG ARG 7 1.942 -3.107 4.218
45 HD2 ARG 7 2HD ARG 7 1.239 -1.185 6.369
46 HD3 ARG 7 3HD ARG 7 0.205 -1.985 5.187
47 HE ARG 7 HE ARG 7 0.936 -4.040 6.724
48 HH11 ARG 7 1HH1 ARG 7 -0.214 -0.859 7.550
49 HH12 ARG 7 2HH1 ARG 7 -0.965 -1.371 9.025
50 HH21 ARG 7 1HH2 ARG 7 -0.050 -4.726 8.663
51 HH22 ARG 7 2HH2 ARG 7 -0.871 -3.570 9.657
52 H CYS 8 HN CYS 8 6.010 -2.300 6.877
53 HA CYS 8 HA CYS 8 6.928 -4.613 8.438
54 HB2 CYS 8 2HB CYS 8 8.466 -2.928 6.451
55 HB3 CYS 8 3HB CYS 8 9.037 -4.400 7.231
56 H GLN 9 HN GLN 9 6.955 -1.154 8.298
57 HA GLN 9 HA GLN 9 7.696 0.439 9.743
58 HB2 GLN 9 2HB GLN 9 7.510 -1.989 11.428
59 HB3 GLN 9 3HB GLN 9 8.480 -0.671 12.070
60 HG2 GLN 9 2HG GLN 9 6.662 0.409 12.706
61 HG3 GLN 9 3HG GLN 9 6.030 0.383 11.061
62 HE21 GLN 9 1HE2 GLN 9 4.832 -1.518 10.402
63 HE22 GLN 9 2HE2 GLN 9 3.920 -2.393 11.579
64 H GLU 10 HN GLU 10 9.525 -0.711 7.888
65 HA GLU 10 HA GLU 10 12.056 -0.515 9.383
66 HB2 GLU 10 2HB GLU 10 11.162 -2.299 7.241
67 HB3 GLU 10 3HB GLU 10 12.722 -1.555 6.920
68 HG2 GLU 10 2HG GLU 10 12.718 -2.448 9.610
69 HG3 GLU 10 3HG GLU 10 12.118 -3.758 8.593
70 H SER 11 HN SER 11 13.801 0.630 8.386
71 HA SER 11 HA SER 11 13.164 3.139 7.419
72 HB2 SER 11 2HB SER 11 15.322 3.000 8.261
73 HB3 SER 11 3HB SER 11 15.674 1.503 7.399
74 HG SER 11 HG SER 11 16.497 3.773 6.664
75 H LEU 12 HN LEU 12 12.953 4.069 5.435
76 HA LEU 12 HA LEU 12 12.484 2.255 3.209
77 HB2 LEU 12 2HB LEU 12 11.843 5.121 3.769
78 HB3 LEU 12 3HB LEU 12 11.787 4.509 2.117
79 HG LEU 12 HG LEU 12 9.681 4.554 3.829
80 HD11 LEU 12 1HD1 LEU 12 8.537 3.405 2.178
81 HD12 LEU 12 2HD1 LEU 12 9.910 2.363 1.805
82 HD13 LEU 12 3HD1 LEU 12 9.923 4.054 1.303
83 HD21 LEU 12 1HD2 LEU 12 10.670 1.710 3.876
84 HD22 LEU 12 2HD2 LEU 12 9.235 2.370 4.660
85 HD23 LEU 12 3HD2 LEU 12 10.840 2.825 5.231
86 H GLY 13 HN GLY 13 14.643 4.871 4.139
87 HA2 GLY 13 1HA GLY 13 16.472 5.793 3.073
88 HA3 GLY 13 2HA GLY 13 16.844 4.109 2.737
89 H ARG 14 HN ARG 14 17.371 3.847 0.680
90 HA ARG 14 HA ARG 14 16.440 5.665 -1.352
91 HB2 ARG 14 2HB ARG 14 18.554 3.704 -1.067
92 HB3 ARG 14 3HB ARG 14 17.726 3.525 -2.607
93 HG2 ARG 14 2HG ARG 14 18.065 6.201 -2.543
94 HG3 ARG 14 3HG ARG 14 19.485 5.668 -1.642
95 HD2 ARG 14 2HD ARG 14 19.535 3.932 -3.708
96 HD3 ARG 14 3HD ARG 14 18.804 5.333 -4.489
97 HE ARG 14 HE ARG 14 21.520 5.032 -3.792
98 HH11 ARG 14 1HH1 ARG 14 18.964 7.396 -3.808
99 HH12 ARG 14 2HH1 ARG 14 20.036 8.747 -3.966
100 HH21 ARG 14 1HH2 ARG 14 22.943 6.803 -4.000
101 HH22 ARG 14 2HH2 ARG 14 22.299 8.409 -4.076
102 H LEU 15 HN LEU 15 14.144 5.126 -1.042
103 HA LEU 15 HA LEU 15 13.402 2.766 -2.637
104 HB2 LEU 15 2HB LEU 15 12.757 3.307 0.065
105 HB3 LEU 15 3HB LEU 15 11.279 3.498 -0.877
106 HG LEU 15 HG LEU 15 12.901 1.039 -1.299
107 HD11 LEU 15 1HD1 LEU 15 12.202 1.802 1.281
108 HD12 LEU 15 2HD1 LEU 15 12.633 0.182 0.733
109 HD13 LEU 15 3HD1 LEU 15 10.940 0.672 0.789
110 HD21 LEU 15 1HD2 LEU 15 10.960 0.180 -2.100
111 HD22 LEU 15 2HD2 LEU 15 10.618 1.887 -2.380
112 HD23 LEU 15 3HD2 LEU 15 9.959 1.077 -0.958
113 H SER 16 HN SER 16 12.816 6.097 -1.797
114 HA SER 16 HA SER 16 11.924 7.766 -3.106
115 HB2 SER 16 2HB SER 16 12.350 5.913 -5.007
116 HB3 SER 16 3HB SER 16 10.588 5.923 -5.016
117 HG SER 16 HG SER 16 12.252 7.687 -6.107
118 HA PRO 17 HA PRO 17 8.048 6.729 -0.832
119 HB2 PRO 17 2HB PRO 17 8.010 9.043 0.588
120 HB3 PRO 17 3HB PRO 17 8.919 7.615 1.100
121 HG2 PRO 17 2HG PRO 17 9.887 10.073 -0.309
122 HG3 PRO 17 3HG PRO 17 10.633 9.187 1.033
123 HD2 PRO 17 2HD PRO 17 11.451 8.904 -1.532
124 HD3 PRO 17 3HD PRO 17 11.517 7.575 -0.358
125 H LYS 18 HN LYS 18 9.058 9.050 -3.073
126 HA LYS 18 HA LYS 18 6.781 10.737 -3.141
127 HB2 LYS 18 2HB LYS 18 8.991 11.295 -4.150
128 HB3 LYS 18 3HB LYS 18 8.691 10.088 -5.393
129 HG2 LYS 18 2HG LYS 18 8.220 12.414 -6.105
130 HG3 LYS 18 3HG LYS 18 6.835 11.329 -6.246
131 HD2 LYS 18 2HD LYS 18 5.810 12.238 -4.312
132 HD3 LYS 18 3HD LYS 18 7.281 13.100 -3.853
133 HE2 LYS 18 2HE LYS 18 7.066 14.551 -5.783
134 HE3 LYS 18 3HE LYS 18 5.653 13.650 -6.332
135 HZ1 LYS 18 1HZ LYS 18 4.343 14.810 -4.990
136 HZ2 LYS 18 2HZ LYS 18 5.644 15.852 -4.709
137 HZ3 LYS 18 3HZ LYS 18 5.346 14.567 -3.650
138 H THR 19 HN THR 19 7.086 7.509 -3.855
139 HA THR 19 HA THR 19 4.531 7.499 -5.241
140 HB THR 19 HB THR 19 5.184 6.691 -7.235
141 HG1 THR 19 1HG THR 19 7.500 5.356 -6.607
142 HG21 THR 19 1HG2 THR 19 7.505 7.305 -7.910
143 HG22 THR 19 2HG2 THR 19 7.852 7.676 -6.221
144 HG23 THR 19 3HG2 THR 19 6.636 8.606 -7.097
145 H ASN 20 HN ASN 20 6.045 6.534 -2.706
146 HA ASN 20 HA ASN 20 5.115 3.740 -2.822
147 HB2 ASN 20 2HB ASN 20 7.152 4.873 -0.896
148 HB3 ASN 20 3HB ASN 20 6.751 3.177 -1.153
149 HD21 ASN 20 1HD2 ASN 20 9.284 3.608 -1.297
150 HD22 ASN 20 2HD2 ASN 20 9.871 3.682 -2.921
151 H THR 21 HN THR 21 3.571 6.195 -2.211
152 HA THR 21 HA THR 21 2.853 5.654 0.593
153 HB THR 21 HB THR 21 2.248 8.093 -1.091
154 HG1 THR 21 1HG THR 21 3.738 9.087 0.344
155 HG21 THR 21 1HG2 THR 21 1.468 9.056 1.073
156 HG22 THR 21 2HG2 THR 21 1.605 7.450 1.788
157 HG23 THR 21 3HG2 THR 21 0.458 7.737 0.480
158 H CYS 22 HN CYS 22 1.320 4.113 0.589
159 HA CYS 22 HA CYS 22 -0.459 3.365 -1.307
160 HB2 CYS 22 2HB CYS 22 -0.174 2.274 0.913
161 HB3 CYS 22 3HB CYS 22 -1.129 3.564 1.636
162 H ARG 23 HN ARG 23 -2.216 4.156 -2.284
163 HA ARG 23 HA ARG 23 -3.042 6.854 -1.701
164 HB2 ARG 23 2HB ARG 23 -4.650 5.307 -3.617
165 HB3 ARG 23 3HB ARG 23 -3.879 6.877 -3.801
166 HG2 ARG 23 2HG ARG 23 -1.683 5.490 -3.911
167 HG3 ARG 23 3HG ARG 23 -2.769 4.153 -4.298
168 HD2 ARG 23 2HD ARG 23 -2.336 4.928 -6.403
169 HD3 ARG 23 3HD ARG 23 -3.754 5.899 -6.008
170 HE ARG 23 HE ARG 23 -2.425 7.778 -5.943
171 HH11 ARG 23 1HH1 ARG 23 -0.438 4.924 -6.105
172 HH12 ARG 23 2HH1 ARG 23 1.024 5.800 -6.413
173 HH21 ARG 23 1HH2 ARG 23 -0.506 8.943 -6.348
174 HH22 ARG 23 2HH2 ARG 23 0.985 8.087 -6.550
175 H GLY 24 HN GLY 24 -3.960 3.785 -0.642
176 HA2 GLY 24 1HA GLY 24 -6.712 4.630 -0.052
177 HA3 GLY 24 2HA GLY 24 -6.099 2.986 0.050
178 H CYS 25 HN CYS 25 -3.676 4.478 1.421
179 HA CYS 25 HA CYS 25 -4.933 4.683 4.076
180 HB2 CYS 25 2HB CYS 25 -2.344 3.292 3.362
181 HB3 CYS 25 3HB CYS 25 -2.861 3.631 5.010
182 H ASN 26 HN ASN 26 -2.394 5.702 1.892
183 HA ASN 26 HA ASN 26 -1.369 7.752 1.738
184 HB2 ASN 26 2HB ASN 26 -3.477 8.372 3.360
185 HB3 ASN 26 3HB ASN 26 -2.114 8.743 4.411
186 HD21 ASN 26 1HD2 ASN 26 -2.773 9.102 0.941
187 HD22 ASN 26 2HD2 ASN 26 -2.357 10.777 0.864
188 H HIS 27 HN HIS 27 -0.514 5.265 3.274
189 HA HIS 27 HA HIS 27 1.641 6.505 4.854
190 HB2 HIS 27 2HB HIS 27 0.481 3.719 5.070
191 HB3 HIS 27 3HB HIS 27 1.820 4.339 6.031
192 HD1 HIS 27 1HD HIS 27 0.746 7.039 6.901
193 HD2 HIS 27 2HD HIS 27 -1.551 3.578 6.855
194 HE1 HIS 27 1HE HIS 27 -1.120 7.450 8.536
195 H LEU 28 HN LEU 28 3.724 5.326 4.824
196 HA LEU 28 HA LEU 28 4.525 4.829 2.121
197 HB2 LEU 28 2HB LEU 28 5.958 4.722 4.761
198 HB3 LEU 28 3HB LEU 28 6.746 4.289 3.245
199 HG LEU 28 HG LEU 28 5.612 6.992 3.963
200 HD11 LEU 28 1HD1 LEU 28 7.873 6.043 4.925
201 HD12 LEU 28 2HD1 LEU 28 7.742 7.709 4.365
202 HD13 LEU 28 3HD1 LEU 28 8.471 6.485 3.326
203 HD21 LEU 28 1HD2 LEU 28 6.700 7.695 1.833
204 HD22 LEU 28 2HD2 LEU 28 5.303 6.639 1.618
205 HD23 LEU 28 3HD2 LEU 28 6.934 5.990 1.448
206 H VAL 29 HN VAL 29 5.443 2.915 1.278
207 HA VAL 29 HA VAL 29 5.239 0.453 2.787
208 HB VAL 29 HB VAL 29 3.916 -0.111 0.330
209 HG11 VAL 29 1HG1 VAL 29 2.537 -1.335 1.671
210 HG12 VAL 29 2HG1 VAL 29 3.882 -1.103 2.789
211 HG13 VAL 29 3HG1 VAL 29 2.448 -0.083 2.909
212 HG21 VAL 29 1HG2 VAL 29 3.337 2.365 0.541
213 HG22 VAL 29 2HG2 VAL 29 1.995 1.238 0.347
214 HG23 VAL 29 3HG2 VAL 29 2.369 1.898 1.939
215 H CYS 30 HN CYS 30 7.055 -0.591 2.346
216 HA CYS 30 HA CYS 30 8.901 0.017 0.409
217 HB2 CYS 30 2HB CYS 30 9.869 -2.204 0.803
218 HB3 CYS 30 3HB CYS 30 9.384 -1.446 2.316
219 H ARG 31 HN ARG 31 9.655 -1.710 -1.297
220 HA ARG 31 HA ARG 31 7.513 -1.864 -3.233
221 HB2 ARG 31 2HB ARG 31 9.357 -2.743 -4.727
222 HB3 ARG 31 3HB ARG 31 9.594 -1.119 -4.097
223 HG2 ARG 31 2HG ARG 31 11.158 -1.919 -2.463
224 HG3 ARG 31 3HG ARG 31 10.829 -3.593 -2.912
225 HD2 ARG 31 2HD ARG 31 11.524 -2.299 -5.292
226 HD3 ARG 31 3HD ARG 31 12.659 -1.701 -4.084
227 HE ARG 31 HE ARG 31 12.722 -4.228 -5.288
228 HH11 ARG 31 1HH1 ARG 31 12.993 -2.777 -2.135
229 HH12 ARG 31 2HH1 ARG 31 14.023 -4.022 -1.508
230 HH21 ARG 31 1HH2 ARG 31 14.078 -5.871 -4.474
231 HH22 ARG 31 2HH2 ARG 31 14.640 -5.780 -2.840
232 H ASP 32 HN ASP 32 7.730 -3.656 -0.774
233 HA ASP 32 HA ASP 32 7.383 -6.200 -2.217
234 HB2 ASP 32 2HB ASP 32 9.488 -6.144 -0.860
235 HB3 ASP 32 3HB ASP 32 8.498 -5.920 0.580
236 H CYS 33 HN CYS 33 5.988 -3.843 -0.314
237 HA CYS 33 HA CYS 33 3.969 -5.699 0.754
238 HB2 CYS 33 2HB CYS 33 4.799 -2.932 1.627
239 HB3 CYS 33 3HB CYS 33 3.335 -3.715 2.212
240 H ARG 34 HN ARG 34 4.383 -4.133 -1.945
241 HA ARG 34 HA ARG 34 1.718 -2.899 -2.046
242 HB2 ARG 34 2HB ARG 34 3.555 -2.628 -4.351
243 HB3 ARG 34 3HB ARG 34 2.486 -1.442 -3.616
244 HG2 ARG 34 2HG ARG 34 4.041 -0.923 -1.933
245 HG3 ARG 34 3HG ARG 34 5.011 -2.357 -2.278
246 HD2 ARG 34 2HD ARG 34 5.782 -1.447 -4.329
247 HD3 ARG 34 3HD ARG 34 4.601 -0.139 -4.269
248 HE ARG 34 HE ARG 34 6.055 0.271 -2.038
249 HH11 ARG 34 1HH1 ARG 34 6.926 -0.235 -5.370
250 HH12 ARG 34 2HH1 ARG 34 8.369 0.718 -5.273
251 HH21 ARG 34 1HH2 ARG 34 7.952 1.529 -1.898
252 HH22 ARG 34 2HH2 ARG 34 8.952 1.721 -3.298
253 H ILE 35 HN ILE 35 0.159 -3.640 -3.402
254 HA ILE 35 HA ILE 35 0.778 -6.109 -4.880
255 HB ILE 35 HB ILE 35 -1.734 -5.156 -3.538
256 HG12 ILE 35 2HG1 ILE 35 -1.644 -7.518 -2.652
257 HG13 ILE 35 3HG1 ILE 35 -0.079 -7.683 -3.440
258 HG21 ILE 35 1HG2 ILE 35 -1.485 -7.180 -5.745
259 HG22 ILE 35 2HG2 ILE 35 -2.827 -7.180 -4.601
260 HG23 ILE 35 3HG2 ILE 35 -2.563 -5.789 -5.651
261 HD11 ILE 35 1HD1 ILE 35 -0.517 -5.418 -1.562
262 HD12 ILE 35 2HD1 ILE 35 -0.244 -7.039 -0.920
263 HD13 ILE 35 3HD1 ILE 35 0.965 -6.286 -1.959
264 H GLN 36 HN GLN 36 1.173 -5.596 -6.945
265 HA GLN 36 HA GLN 36 0.335 -3.386 -8.357
266 HB2 GLN 36 2HB GLN 36 1.438 -6.014 -9.022
267 HB3 GLN 36 3HB GLN 36 0.452 -5.328 -10.306
268 HG2 GLN 36 2HG GLN 36 2.752 -3.916 -8.976
269 HG3 GLN 36 3HG GLN 36 2.853 -4.792 -10.503
270 HE21 GLN 36 1HE2 GLN 36 1.783 -1.928 -8.907
271 HE22 GLN 36 2HE2 GLN 36 1.314 -1.056 -10.323
272 H GLU 37 HN GLU 37 -1.580 -2.690 -9.020
273 HA GLU 37 HA GLU 37 -3.795 -4.616 -9.184
274 HB2 GLU 37 2HB GLU 37 -3.855 -1.609 -8.871
275 HB3 GLU 37 3HB GLU 37 -5.272 -2.645 -8.964
276 HG2 GLU 37 2HG GLU 37 -3.374 -3.455 -6.906
277 HG3 GLU 37 3HG GLU 37 -4.029 -1.837 -6.669
278 H SER 38 HN SER 38 -4.531 -5.165 -11.118
279 HA SER 38 HA SER 38 -3.519 -4.496 -13.536
280 HB2 SER 38 2HB SER 38 -5.505 -6.128 -12.782
281 HB3 SER 38 3HB SER 38 -6.474 -4.833 -13.484
282 HG SER 38 HG SER 38 -5.224 -6.755 -14.760
283 H ASN 39 HN ASN 39 -6.122 -2.793 -11.847
284 HA ASN 39 HA ASN 39 -7.070 -1.040 -13.652
285 HB2 ASN 39 2HB ASN 39 -6.494 -0.855 -10.759
286 HB3 ASN 39 3HB ASN 39 -6.724 0.685 -11.583
287 HD21 ASN 39 1HD2 ASN 39 -8.444 -0.176 -9.622
288 HD22 ASN 39 2HD2 ASN 39 -9.982 -0.535 -10.325
289 H GLY 40 HN GLY 40 -3.909 -0.822 -12.079
290 HA2 GLY 40 1HA GLY 40 -2.229 0.064 -13.814
291 HA3 GLY 40 2HA GLY 40 -3.261 1.485 -13.790
292 H THR 41 HN THR 41 -3.547 0.594 -10.761
293 HA THR 41 HA THR 41 -1.129 2.039 -9.893
294 HB THR 41 HB THR 41 -3.319 3.244 -9.557
295 HG1 THR 41 1HG THR 41 -1.419 3.627 -8.252
296 HG21 THR 41 1HG2 THR 41 -4.830 2.527 -7.856
297 HG22 THR 41 2HG2 THR 41 -3.760 1.209 -7.375
298 HG23 THR 41 3HG2 THR 41 -4.582 1.154 -8.934
299 H TRP 42 HN TRP 42 -1.543 1.621 -7.127
300 HA TRP 42 HA TRP 42 -1.578 -1.257 -6.721
301 HB2 TRP 42 2HB TRP 42 0.628 -1.347 -5.711
302 HB3 TRP 42 3HB TRP 42 0.761 -0.739 -7.359
303 HD1 TRP 42 1HD TRP 42 1.966 1.525 -7.674
304 HE1 TRP 42 1HE TRP 42 2.926 3.308 -6.086
305 HE3 TRP 42 3HE TRP 42 0.116 -0.249 -3.251
306 HZ2 TRP 42 2HZ TRP 42 2.902 3.887 -3.324
307 HZ3 TRP 42 3HZ TRP 42 0.630 0.978 -1.181
308 HH2 TRP 42 2HH TRP 42 1.996 3.002 -1.218
309 H ARG 43 HN ARG 43 -1.677 -1.866 -4.484
310 HA ARG 43 HA ARG 43 -2.077 0.285 -2.553
311 HB2 ARG 43 2HB ARG 43 -4.182 -1.700 -3.382
312 HB3 ARG 43 3HB ARG 43 -4.212 -0.940 -1.797
313 HG2 ARG 43 2HG ARG 43 -3.856 1.083 -3.768
314 HG3 ARG 43 3HG ARG 43 -5.213 0.057 -4.237
315 HD2 ARG 43 2HD ARG 43 -5.034 0.935 -1.403
316 HD3 ARG 43 3HD ARG 43 -5.510 2.129 -2.610
317 HE ARG 43 HE ARG 43 -7.108 0.017 -1.590
318 HH11 ARG 43 1HH1 ARG 43 -6.440 1.827 -4.488
319 HH12 ARG 43 2HH1 ARG 43 -8.015 1.578 -5.164
320 HH21 ARG 43 1HH2 ARG 43 -9.186 -0.320 -2.470
321 HH22 ARG 43 2HH2 ARG 43 -9.576 0.358 -4.015
322 H CYS 44 HN CYS 44 -1.337 -0.226 -0.581
323 HA CYS 44 HA CYS 44 0.349 -2.236 -0.001
324 HB2 CYS 44 2HB CYS 44 0.074 -1.767 2.287
325 HB3 CYS 44 3HB CYS 44 -0.392 -0.273 1.481
326 H LYS 45 HN LYS 45 0.201 -4.221 1.229
327 HA LYS 45 HA LYS 45 -1.611 -6.057 0.164
328 HB2 LYS 45 2HB LYS 45 -0.406 -6.610 2.832
329 HB3 LYS 45 3HB LYS 45 -0.523 -7.649 1.418
330 HG2 LYS 45 2HG LYS 45 1.177 -6.023 0.362
331 HG3 LYS 45 3HG LYS 45 1.475 -5.510 2.024
332 HD2 LYS 45 2HD LYS 45 3.045 -7.173 1.801
333 HD3 LYS 45 3HD LYS 45 1.685 -8.092 2.451
334 HE2 LYS 45 2HE LYS 45 1.068 -8.478 -0.030
335 HE3 LYS 45 3HE LYS 45 2.730 -7.987 -0.356
336 HZ1 LYS 45 1HZ LYS 45 3.575 -9.831 0.682
337 HZ2 LYS 45 2HZ LYS 45 2.161 -10.475 0.014
338 HZ3 LYS 45 3HZ LYS 45 2.211 -10.067 1.655
339 H VAL 46 HN VAL 46 -1.914 -3.900 2.834
340 HA VAL 46 HA VAL 46 -4.062 -5.326 4.120
341 HB VAL 46 HB VAL 46 -3.458 -2.419 4.566
342 HG11 VAL 46 1HG1 VAL 46 -4.318 -4.602 6.460
343 HG12 VAL 46 2HG1 VAL 46 -4.214 -2.875 6.806
344 HG13 VAL 46 3HG1 VAL 46 -5.414 -3.476 5.661
345 HG21 VAL 46 1HG2 VAL 46 -1.293 -3.243 4.725
346 HG22 VAL 46 2HG2 VAL 46 -1.872 -3.346 6.387
347 HG23 VAL 46 3HG2 VAL 46 -1.822 -4.793 5.379
348 H CYS 47 HN CYS 47 -3.757 -3.097 1.531
349 HA CYS 47 HA CYS 47 -6.591 -2.366 1.659
350 HB2 CYS 47 2HB CYS 47 -4.205 -1.255 0.234
351 HB3 CYS 47 3HB CYS 47 -5.811 -0.952 -0.421
352 H ALA 48 HN ALA 48 -4.225 -3.676 -0.656
353 HA ALA 48 HA ALA 48 -6.091 -4.317 -2.665
354 HB1 ALA 48 1HB ALA 48 -3.268 -4.774 -2.158
355 HB2 ALA 48 2HB ALA 48 -4.035 -6.130 -2.987
356 HB3 ALA 48 3HB ALA 48 -4.117 -4.511 -3.682
357 H LYS 49 HN LYS 49 -5.180 -5.920 0.269
358 HA LYS 49 HA LYS 49 -6.798 -8.259 -0.505
359 HB2 LYS 49 2HB LYS 49 -4.206 -8.087 0.654
360 HB3 LYS 49 3HB LYS 49 -5.286 -8.763 1.867
361 HG2 LYS 49 2HG LYS 49 -5.037 -10.731 0.887
362 HG3 LYS 49 3HG LYS 49 -5.921 -10.093 -0.503
363 HD2 LYS 49 2HD LYS 49 -4.000 -9.677 -1.701
364 HD3 LYS 49 3HD LYS 49 -3.005 -9.515 -0.253
365 HE2 LYS 49 2HE LYS 49 -3.928 -12.133 -0.174
366 HE3 LYS 49 3HE LYS 49 -3.556 -11.851 -1.875
367 HZ1 LYS 49 1HZ LYS 49 -1.360 -10.952 -1.049
368 HZ2 LYS 49 2HZ LYS 49 -1.582 -12.624 -0.915
369 HZ3 LYS 49 3HZ LYS 49 -1.739 -11.638 0.451
370 H GLU 50 HN GLU 50 -8.687 -8.498 0.485
371 HA GLU 50 HA GLU 50 -9.029 -7.599 3.234
372 HB2 GLU 50 2HB GLU 50 -9.683 -5.643 1.932
373 HB3 GLU 50 3HB GLU 50 -10.776 -6.626 0.968
374 HG2 GLU 50 2HG GLU 50 -11.477 -7.020 3.670
375 HG3 GLU 50 3HG GLU 50 -11.264 -5.286 3.431
376 H ILE 51 HN ILE 51 -9.152 -9.860 3.627
377 HA ILE 51 HA ILE 51 -11.094 -11.519 2.369
378 HB ILE 51 HB ILE 51 -9.184 -12.578 3.340
379 HG12 ILE 51 2HG1 ILE 51 -11.378 -13.298 5.261
380 HG13 ILE 51 3HG1 ILE 51 -11.558 -13.620 3.540
381 HG21 ILE 51 1HG2 ILE 51 -9.626 -10.728 5.461
382 HG22 ILE 51 2HG2 ILE 51 -9.589 -12.361 6.126
383 HG23 ILE 51 3HG2 ILE 51 -8.231 -11.767 5.170
384 HD11 ILE 51 1HD1 ILE 51 -10.437 -15.502 3.795
385 HD12 ILE 51 2HD1 ILE 51 -9.024 -14.588 4.324
386 HD13 ILE 51 3HD1 ILE 51 -10.206 -15.147 5.507
387 H GLU 52 HN GLU 52 -13.133 -12.063 2.976
388 HA GLU 52 HA GLU 52 -14.682 -10.275 4.439
389 HB2 GLU 52 2HB GLU 52 -15.128 -13.119 3.576
390 HB3 GLU 52 3HB GLU 52 -16.336 -12.261 4.523
391 HG2 GLU 52 2HG GLU 52 -17.113 -11.278 2.705
392 HG3 GLU 52 3HG GLU 52 -15.523 -10.606 2.350
393 H LEU 53 HN LEU 53 -14.731 -9.871 6.540
394 HA LEU 53 HA LEU 53 -14.440 -10.077 8.790
395 HB2 LEU 53 2HB LEU 53 -16.401 -11.692 8.114
396 HB3 LEU 53 3HB LEU 53 -15.258 -12.938 8.616
397 HG LEU 53 HG LEU 53 -16.906 -12.274 10.365
398 HD11 LEU 53 1HD1 LEU 53 -14.157 -11.529 11.281
399 HD12 LEU 53 2HD1 LEU 53 -14.512 -13.168 10.736
400 HD13 LEU 53 3HD1 LEU 53 -15.390 -12.485 12.103
401 HD21 LEU 53 1HD2 LEU 53 -17.181 -10.166 11.061
402 HD22 LEU 53 2HD2 LEU 53 -16.372 -9.715 9.559
403 HD23 LEU 53 3HD2 LEU 53 -15.448 -9.838 11.057
Start of MODEL 4
1 H1 SER 1 HN SER 1 9.963 12.734 11.423
2 HA SER 1 HA SER 1 8.683 10.312 11.047
3 HB2 SER 1 2HB SER 1 8.146 12.269 8.802
4 HB3 SER 1 3HB SER 1 7.918 10.525 8.670
5 HG SER 1 HG SER 1 6.111 12.120 9.410
6 H ASP 2 HN ASP 2 9.904 8.869 9.820
7 HA ASP 2 HA ASP 2 12.407 9.971 8.720
8 HB2 ASP 2 2HB ASP 2 12.098 7.256 10.012
9 HB3 ASP 2 3HB ASP 2 13.595 8.044 9.519
10 H ARG 3 HN ARG 3 9.576 8.421 7.980
11 HA ARG 3 HA ARG 3 8.838 7.615 5.961
12 HB2 ARG 3 2HB ARG 3 11.664 7.329 4.985
13 HB3 ARG 3 3HB ARG 3 10.197 7.603 4.054
14 HG2 ARG 3 2HG ARG 3 10.674 9.766 5.902
15 HG3 ARG 3 3HG ARG 3 12.061 9.502 4.844
16 HD2 ARG 3 2HD ARG 3 10.976 10.288 3.054
17 HD3 ARG 3 3HD ARG 3 9.514 9.378 3.437
18 HE ARG 3 HE ARG 3 8.639 11.311 4.250
19 HH11 ARG 3 1HH1 ARG 3 12.108 11.509 4.471
20 HH12 ARG 3 2HH1 ARG 3 12.106 13.127 5.094
21 HH21 ARG 3 1HH2 ARG 3 8.623 13.439 5.070
22 HH22 ARG 3 2HH2 ARG 3 10.123 14.222 5.436
23 H THR 4 HN THR 4 8.532 5.871 7.674
24 HA THR 4 HA THR 4 10.093 3.471 6.978
25 HB THR 4 HB THR 4 8.421 3.221 9.354
26 HG1 THR 4 1HG THR 4 9.879 4.605 10.604
27 HG21 THR 4 1HG2 THR 4 10.214 1.659 8.691
28 HG22 THR 4 2HG2 THR 4 10.472 2.327 10.304
29 HG23 THR 4 3HG2 THR 4 11.399 2.942 8.934
30 H CYS 5 HN CYS 5 9.023 1.527 6.568
31 HA CYS 5 HA CYS 5 6.651 1.665 5.120
32 HB2 CYS 5 2HB CYS 5 8.375 -0.170 5.023
33 HB3 CYS 5 3HB CYS 5 7.697 -0.799 6.522
34 H ALA 6 HN ALA 6 4.523 1.108 5.560
35 HA ALA 6 HA ALA 6 3.731 1.460 8.337
36 HB1 ALA 6 1HB ALA 6 2.018 2.544 7.440
37 HB2 ALA 6 2HB ALA 6 2.613 2.148 5.828
38 HB3 ALA 6 3HB ALA 6 1.484 1.065 6.642
39 H ARG 7 HN ARG 7 4.666 -1.111 6.611
40 HA ARG 7 HA ARG 7 2.775 -2.914 7.974
41 HB2 ARG 7 2HB ARG 7 4.218 -3.606 5.422
42 HB3 ARG 7 3HB ARG 7 2.853 -4.435 6.158
43 HG2 ARG 7 2HG ARG 7 2.849 -1.763 4.780
44 HG3 ARG 7 3HG ARG 7 2.049 -3.248 4.263
45 HD2 ARG 7 2HD ARG 7 1.273 -1.291 6.350
46 HD3 ARG 7 3HD ARG 7 0.270 -2.186 5.209
47 HE ARG 7 HE ARG 7 1.098 -4.138 6.828
48 HH11 ARG 7 1HH1 ARG 7 -0.190 -0.979 7.523
49 HH12 ARG 7 2HH1 ARG 7 -0.912 -1.461 9.022
50 HH21 ARG 7 1HH2 ARG 7 0.151 -4.784 8.800
51 HH22 ARG 7 2HH2 ARG 7 -0.717 -3.624 9.749
52 H CYS 8 HN CYS 8 6.085 -2.420 6.852
53 HA CYS 8 HA CYS 8 6.989 -4.632 8.554
54 HB2 CYS 8 2HB CYS 8 8.621 -3.062 6.555
55 HB3 CYS 8 3HB CYS 8 9.047 -4.592 7.316
56 H GLN 9 HN GLN 9 7.010 -1.190 8.257
57 HA GLN 9 HA GLN 9 7.719 0.461 9.653
58 HB2 GLN 9 2HB GLN 9 7.338 -1.821 11.347
59 HB3 GLN 9 3HB GLN 9 8.741 -0.917 11.903
60 HG2 GLN 9 2HG GLN 9 6.425 0.746 11.257
61 HG3 GLN 9 3HG GLN 9 6.159 -0.391 12.577
62 HE21 GLN 9 1HE2 GLN 9 8.890 1.607 11.499
63 HE22 GLN 9 2HE2 GLN 9 9.174 2.348 13.033
64 H GLU 10 HN GLU 10 9.530 -0.897 7.794
65 HA GLU 10 HA GLU 10 12.108 -0.536 9.158
66 HB2 GLU 10 2HB GLU 10 11.161 -2.303 7.018
67 HB3 GLU 10 3HB GLU 10 12.704 -1.537 6.670
68 HG2 GLU 10 2HG GLU 10 13.143 -2.354 9.195
69 HG3 GLU 10 3HG GLU 10 12.011 -3.594 8.657
70 H SER 11 HN SER 11 13.779 0.669 8.121
71 HA SER 11 HA SER 11 12.998 3.156 7.151
72 HB2 SER 11 2HB SER 11 15.154 3.023 8.103
73 HB3 SER 11 3HB SER 11 15.626 1.683 7.058
74 HG SER 11 HG SER 11 14.923 4.131 5.891
75 H LEU 12 HN LEU 12 12.790 4.053 5.146
76 HA LEU 12 HA LEU 12 12.400 2.202 2.948
77 HB2 LEU 12 2HB LEU 12 11.820 5.113 3.373
78 HB3 LEU 12 3HB LEU 12 11.708 4.384 1.772
79 HG LEU 12 HG LEU 12 9.639 4.617 3.497
80 HD11 LEU 12 1HD1 LEU 12 8.751 2.550 2.126
81 HD12 LEU 12 2HD1 LEU 12 10.246 2.800 1.223
82 HD13 LEU 12 3HD1 LEU 12 9.063 4.102 1.348
83 HD21 LEU 12 1HD2 LEU 12 10.625 1.787 3.824
84 HD22 LEU 12 2HD2 LEU 12 9.152 2.489 4.496
85 HD23 LEU 12 3HD2 LEU 12 10.730 3.033 5.069
86 H GLY 13 HN GLY 13 14.527 4.877 3.819
87 HA2 GLY 13 1HA GLY 13 16.467 5.659 2.867
88 HA3 GLY 13 2HA GLY 13 16.724 3.988 2.389
89 H ARG 14 HN ARG 14 17.123 3.783 0.300
90 HA ARG 14 HA ARG 14 16.266 5.837 -1.561
91 HB2 ARG 14 2HB ARG 14 18.552 4.460 -1.428
92 HB3 ARG 14 3HB ARG 14 17.664 3.388 -2.502
93 HG2 ARG 14 2HG ARG 14 17.506 6.212 -3.241
94 HG3 ARG 14 3HG ARG 14 19.136 5.535 -3.290
95 HD2 ARG 14 2HD ARG 14 18.539 3.915 -4.869
96 HD3 ARG 14 3HD ARG 14 16.817 4.112 -4.550
97 HE ARG 14 HE ARG 14 18.035 6.485 -5.588
98 HH11 ARG 14 1HH1 ARG 14 16.643 3.410 -6.437
99 HH12 ARG 14 2HH1 ARG 14 16.194 3.906 -8.035
100 HH21 ARG 14 1HH2 ARG 14 17.449 7.152 -7.689
101 HH22 ARG 14 2HH2 ARG 14 16.655 6.035 -8.746
102 H LEU 15 HN LEU 15 13.975 4.965 -0.876
103 HA LEU 15 HA LEU 15 13.183 2.882 -2.802
104 HB2 LEU 15 2HB LEU 15 12.627 3.187 -0.033
105 HB3 LEU 15 3HB LEU 15 11.116 3.391 -0.918
106 HG LEU 15 HG LEU 15 12.854 1.028 -1.494
107 HD11 LEU 15 1HD1 LEU 15 10.752 0.749 0.575
108 HD12 LEU 15 2HD1 LEU 15 12.285 1.466 1.066
109 HD13 LEU 15 3HD1 LEU 15 12.256 -0.146 0.353
110 HD21 LEU 15 1HD2 LEU 15 10.708 0.003 -2.014
111 HD22 LEU 15 2HD2 LEU 15 10.916 1.505 -2.914
112 HD23 LEU 15 3HD2 LEU 15 9.868 1.464 -1.496
113 H SER 16 HN SER 16 12.690 6.133 -1.709
114 HA SER 16 HA SER 16 11.719 7.895 -2.820
115 HB2 SER 16 2HB SER 16 12.098 6.373 -4.903
116 HB3 SER 16 3HB SER 16 10.372 6.037 -4.759
117 HG SER 16 HG SER 16 11.374 8.677 -4.798
118 HA PRO 17 HA PRO 17 7.978 6.708 -0.396
119 HB2 PRO 17 2HB PRO 17 8.050 8.908 1.194
120 HB3 PRO 17 3HB PRO 17 8.974 7.441 1.541
121 HG2 PRO 17 2HG PRO 17 9.880 9.994 0.265
122 HG3 PRO 17 3HG PRO 17 10.696 9.003 1.488
123 HD2 PRO 17 2HD PRO 17 11.353 8.911 -1.137
124 HD3 PRO 17 3HD PRO 17 11.478 7.496 -0.071
125 H LYS 18 HN LYS 18 8.866 9.167 -2.529
126 HA LYS 18 HA LYS 18 6.554 10.827 -2.323
127 HB2 LYS 18 2HB LYS 18 9.002 10.941 -3.663
128 HB3 LYS 18 3HB LYS 18 7.799 10.849 -4.943
129 HG2 LYS 18 2HG LYS 18 7.021 12.916 -4.540
130 HG3 LYS 18 3HG LYS 18 7.181 12.749 -2.790
131 HD2 LYS 18 2HD LYS 18 9.750 12.850 -3.342
132 HD3 LYS 18 3HD LYS 18 9.183 13.650 -4.810
133 HE2 LYS 18 2HE LYS 18 7.844 15.171 -3.271
134 HE3 LYS 18 3HE LYS 18 8.801 14.500 -1.951
135 HZ1 LYS 18 1HZ LYS 18 10.809 15.222 -3.191
136 HZ2 LYS 18 2HZ LYS 18 9.831 16.501 -2.673
137 HZ3 LYS 18 3HZ LYS 18 9.803 16.017 -4.295
138 H THR 19 HN THR 19 7.250 7.825 -3.858
139 HA THR 19 HA THR 19 4.584 7.872 -5.104
140 HB THR 19 HB THR 19 5.296 7.028 -7.114
141 HG1 THR 19 1HG THR 19 6.392 5.215 -6.604
142 HG21 THR 19 1HG2 THR 19 7.818 8.441 -6.243
143 HG22 THR 19 2HG2 THR 19 6.337 9.262 -6.735
144 HG23 THR 19 3HG2 THR 19 7.213 8.259 -7.889
145 H ASN 20 HN ASN 20 5.921 6.710 -2.593
146 HA ASN 20 HA ASN 20 5.115 3.910 -3.030
147 HB2 ASN 20 2HB ASN 20 7.044 5.025 -0.980
148 HB3 ASN 20 3HB ASN 20 6.584 3.332 -1.132
149 HD21 ASN 20 1HD2 ASN 20 9.061 3.398 -1.254
150 HD22 ASN 20 2HD2 ASN 20 9.726 3.436 -2.848
151 H THR 21 HN THR 21 3.856 6.632 -1.952
152 HA THR 21 HA THR 21 2.835 5.721 0.607
153 HB THR 21 HB THR 21 2.165 8.224 -0.953
154 HG1 THR 21 1HG THR 21 3.575 9.185 0.645
155 HG21 THR 21 1HG2 THR 21 0.428 7.524 0.672
156 HG22 THR 21 2HG2 THR 21 1.205 9.046 1.111
157 HG23 THR 21 3HG2 THR 21 1.647 7.556 1.946
158 H CYS 22 HN CYS 22 1.457 4.032 0.304
159 HA CYS 22 HA CYS 22 -0.234 3.397 -1.686
160 HB2 CYS 22 2HB CYS 22 0.031 2.111 0.423
161 HB3 CYS 22 3HB CYS 22 -1.002 3.281 1.237
162 H ARG 23 HN ARG 23 -1.929 4.252 -2.697
163 HA ARG 23 HA ARG 23 -2.942 6.813 -1.887
164 HB2 ARG 23 2HB ARG 23 -4.414 5.394 -3.994
165 HB3 ARG 23 3HB ARG 23 -3.681 6.992 -4.011
166 HG2 ARG 23 2HG ARG 23 -1.446 5.661 -4.149
167 HG3 ARG 23 3HG ARG 23 -2.487 4.354 -4.714
168 HD2 ARG 23 2HD ARG 23 -1.586 5.641 -6.584
169 HD3 ARG 23 3HD ARG 23 -3.340 5.789 -6.491
170 HE ARG 23 HE ARG 23 -3.083 8.030 -6.153
171 HH11 ARG 23 1HH1 ARG 23 -0.072 6.437 -5.437
172 HH12 ARG 23 2HH1 ARG 23 0.805 7.914 -5.205
173 HH21 ARG 23 1HH2 ARG 23 -1.941 9.980 -5.851
174 HH22 ARG 23 2HH2 ARG 23 -0.260 9.929 -5.441
175 H GLY 24 HN GLY 24 -3.526 3.979 -0.565
176 HA2 GLY 24 1HA GLY 24 -6.449 4.275 -0.415
177 HA3 GLY 24 2HA GLY 24 -5.546 2.838 0.040
178 H CYS 25 HN CYS 25 -3.630 3.820 1.708
179 HA CYS 25 HA CYS 25 -5.249 4.830 3.946
180 HB2 CYS 25 2HB CYS 25 -3.237 3.893 5.297
181 HB3 CYS 25 3HB CYS 25 -4.409 2.765 4.625
182 H ASN 26 HN ASN 26 -2.614 5.551 1.882
183 HA ASN 26 HA ASN 26 -1.444 7.504 1.629
184 HB2 ASN 26 2HB ASN 26 -2.456 8.570 4.242
185 HB3 ASN 26 3HB ASN 26 -2.051 9.442 2.767
186 HD21 ASN 26 1HD2 ASN 26 -4.527 8.477 4.663
187 HD22 ASN 26 2HD2 ASN 26 -5.810 8.486 3.506
188 H HIS 27 HN HIS 27 -0.481 5.157 2.981
189 HA HIS 27 HA HIS 27 1.536 6.389 4.741
190 HB2 HIS 27 2HB HIS 27 0.354 3.611 4.923
191 HB3 HIS 27 3HB HIS 27 1.688 4.202 5.908
192 HD1 HIS 27 1HD HIS 27 0.620 6.935 6.739
193 HD2 HIS 27 2HD HIS 27 -1.682 3.476 6.712
194 HE1 HIS 27 1HE HIS 27 -1.258 7.364 8.357
195 H LEU 28 HN LEU 28 3.627 5.234 4.777
196 HA LEU 28 HA LEU 28 4.507 4.710 2.102
197 HB2 LEU 28 2HB LEU 28 5.869 4.702 4.778
198 HB3 LEU 28 3HB LEU 28 6.706 4.225 3.303
199 HG LEU 28 HG LEU 28 5.522 6.937 3.893
200 HD11 LEU 28 1HD1 LEU 28 8.408 6.340 3.392
201 HD12 LEU 28 2HD1 LEU 28 7.721 6.131 5.002
202 HD13 LEU 28 3HD1 LEU 28 7.674 7.713 4.223
203 HD21 LEU 28 1HD2 LEU 28 6.920 5.864 1.449
204 HD22 LEU 28 2HD2 LEU 28 6.657 7.579 1.767
205 HD23 LEU 28 3HD2 LEU 28 5.278 6.498 1.554
206 H VAL 29 HN VAL 29 5.284 2.802 1.233
207 HA VAL 29 HA VAL 29 5.196 0.362 2.809
208 HB VAL 29 HB VAL 29 3.825 -0.212 0.361
209 HG11 VAL 29 1HG1 VAL 29 2.461 -0.318 2.997
210 HG12 VAL 29 2HG1 VAL 29 2.540 -1.525 1.712
211 HG13 VAL 29 3HG1 VAL 29 3.921 -1.284 2.783
212 HG21 VAL 29 1HG2 VAL 29 1.810 1.036 0.589
213 HG22 VAL 29 2HG2 VAL 29 2.357 1.761 2.100
214 HG23 VAL 29 3HG2 VAL 29 3.141 2.193 0.581
215 H CYS 30 HN CYS 30 7.029 -0.645 2.354
216 HA CYS 30 HA CYS 30 8.825 -0.052 0.375
217 HB2 CYS 30 2HB CYS 30 9.826 -2.260 0.779
218 HB3 CYS 30 3HB CYS 30 9.366 -1.479 2.289
219 H ARG 31 HN ARG 31 9.572 -1.797 -1.319
220 HA ARG 31 HA ARG 31 7.403 -1.997 -3.219
221 HB2 ARG 31 2HB ARG 31 9.118 -2.671 -4.810
222 HB3 ARG 31 3HB ARG 31 9.635 -1.239 -3.929
223 HG2 ARG 31 2HG ARG 31 11.226 -2.412 -2.707
224 HG3 ARG 31 3HG ARG 31 10.468 -3.971 -3.038
225 HD2 ARG 31 2HD ARG 31 11.209 -2.682 -5.496
226 HD3 ARG 31 3HD ARG 31 12.598 -2.769 -4.412
227 HE ARG 31 HE ARG 31 11.312 -4.952 -5.754
228 HH11 ARG 31 1HH1 ARG 31 13.198 -4.035 -2.975
229 HH12 ARG 31 2HH1 ARG 31 13.868 -5.616 -2.744
230 HH21 ARG 31 1HH2 ARG 31 12.187 -7.038 -5.461
231 HH22 ARG 31 2HH2 ARG 31 13.293 -7.324 -4.160
232 H ASP 32 HN ASP 32 7.649 -3.746 -0.739
233 HA ASP 32 HA ASP 32 7.336 -6.323 -2.134
234 HB2 ASP 32 2HB ASP 32 9.415 -6.133 -0.688
235 HB3 ASP 32 3HB ASP 32 8.333 -6.034 0.700
236 H CYS 33 HN CYS 33 5.957 -3.958 -0.160
237 HA CYS 33 HA CYS 33 3.916 -5.806 0.865
238 HB2 CYS 33 2HB CYS 33 4.658 -2.988 1.667
239 HB3 CYS 33 3HB CYS 33 3.241 -3.829 2.288
240 H ARG 34 HN ARG 34 4.349 -4.271 -1.862
241 HA ARG 34 HA ARG 34 1.695 -3.035 -2.025
242 HB2 ARG 34 2HB ARG 34 3.504 -2.960 -4.367
243 HB3 ARG 34 3HB ARG 34 2.487 -1.698 -3.688
244 HG2 ARG 34 2HG ARG 34 4.094 -1.242 -1.970
245 HG3 ARG 34 3HG ARG 34 5.077 -2.622 -2.465
246 HD2 ARG 34 2HD ARG 34 5.731 -1.581 -4.460
247 HD3 ARG 34 3HD ARG 34 4.440 -0.385 -4.359
248 HE ARG 34 HE ARG 34 5.877 0.188 -2.180
249 HH11 ARG 34 1HH1 ARG 34 6.825 -0.386 -5.480
250 HH12 ARG 34 2HH1 ARG 34 8.208 0.654 -5.402
251 HH21 ARG 34 1HH2 ARG 34 7.696 1.560 -2.064
252 HH22 ARG 34 2HH2 ARG 34 8.703 1.759 -3.457
253 H ILE 35 HN ILE 35 0.097 -3.829 -3.298
254 HA ILE 35 HA ILE 35 0.612 -6.423 -4.581
255 HB ILE 35 HB ILE 35 -1.850 -5.216 -3.368
256 HG12 ILE 35 2HG1 ILE 35 -1.944 -7.498 -2.318
257 HG13 ILE 35 3HG1 ILE 35 -0.406 -7.857 -3.095
258 HG21 ILE 35 1HG2 ILE 35 -2.731 -5.915 -5.426
259 HG22 ILE 35 2HG2 ILE 35 -1.718 -7.357 -5.466
260 HG23 ILE 35 3HG2 ILE 35 -3.055 -7.252 -4.322
261 HD11 ILE 35 1HD1 ILE 35 -0.311 -7.141 -0.682
262 HD12 ILE 35 2HD1 ILE 35 0.732 -6.257 -1.797
263 HD13 ILE 35 3HD1 ILE 35 -0.774 -5.532 -1.235
264 H GLN 36 HN GLN 36 1.102 -6.095 -6.668
265 HA GLN 36 HA GLN 36 0.493 -4.006 -8.309
266 HB2 GLN 36 2HB GLN 36 1.049 -6.889 -8.792
267 HB3 GLN 36 3HB GLN 36 0.440 -5.944 -10.144
268 HG2 GLN 36 2HG GLN 36 2.666 -4.749 -8.630
269 HG3 GLN 36 3HG GLN 36 3.041 -6.203 -9.553
270 HE21 GLN 36 1HE2 GLN 36 0.960 -3.380 -10.102
271 HE22 GLN 36 2HE2 GLN 36 1.621 -2.979 -11.647
272 H GLU 37 HN GLU 37 -1.383 -3.099 -8.799
273 HA GLU 37 HA GLU 37 -3.812 -4.727 -8.831
274 HB2 GLU 37 2HB GLU 37 -3.361 -1.743 -8.796
275 HB3 GLU 37 3HB GLU 37 -4.949 -2.471 -8.988
276 HG2 GLU 37 2HG GLU 37 -3.199 -3.144 -6.654
277 HG3 GLU 37 3HG GLU 37 -4.235 -1.717 -6.652
278 H SER 38 HN SER 38 -5.478 -4.002 -10.528
279 HA SER 38 HA SER 38 -4.148 -4.121 -13.134
280 HB2 SER 38 2HB SER 38 -6.828 -4.964 -12.108
281 HB3 SER 38 3HB SER 38 -6.658 -4.587 -13.822
282 HG SER 38 HG SER 38 -4.619 -6.091 -13.284
283 H ASN 39 HN ASN 39 -5.129 -1.759 -11.199
284 HA ASN 39 HA ASN 39 -6.524 -0.178 -13.227
285 HB2 ASN 39 2HB ASN 39 -7.439 -0.204 -10.932
286 HB3 ASN 39 3HB ASN 39 -5.929 0.477 -10.332
287 HD21 ASN 39 1HD2 ASN 39 -6.707 2.375 -9.582
288 HD22 ASN 39 2HD2 ASN 39 -7.405 3.597 -10.584
289 H GLY 40 HN GLY 40 -3.541 -0.919 -13.074
290 HA2 GLY 40 1HA GLY 40 -1.662 0.123 -13.925
291 HA3 GLY 40 2HA GLY 40 -2.593 1.607 -14.056
292 H THR 41 HN THR 41 -2.760 0.233 -10.971
293 HA THR 41 HA THR 41 -0.497 1.830 -9.996
294 HB THR 41 HB THR 41 -2.625 3.131 -9.749
295 HG1 THR 41 1HG THR 41 -1.430 3.896 -8.182
296 HG21 THR 41 1HG2 THR 41 -4.424 1.919 -9.162
297 HG22 THR 41 2HG2 THR 41 -3.808 2.074 -7.517
298 HG23 THR 41 3HG2 THR 41 -3.443 0.632 -8.464
299 H TRP 42 HN TRP 42 -1.048 1.422 -7.255
300 HA TRP 42 HA TRP 42 -1.159 -1.466 -6.885
301 HB2 TRP 42 2HB TRP 42 0.956 -1.514 -5.633
302 HB3 TRP 42 3HB TRP 42 1.213 -1.018 -7.304
303 HD1 TRP 42 1HD TRP 42 2.330 1.297 -7.708
304 HE1 TRP 42 1HE TRP 42 3.233 3.149 -6.164
305 HE3 TRP 42 3HE TRP 42 0.445 -0.366 -3.256
306 HZ2 TRP 42 2HZ TRP 42 3.157 3.816 -3.423
307 HZ3 TRP 42 3HZ TRP 42 0.907 0.936 -1.220
308 HH2 TRP 42 2HH TRP 42 2.234 2.983 -1.303
309 H ARG 43 HN ARG 43 -1.371 -2.097 -4.640
310 HA ARG 43 HA ARG 43 -1.997 0.042 -2.754
311 HB2 ARG 43 2HB ARG 43 -3.950 -1.969 -3.811
312 HB3 ARG 43 3HB ARG 43 -4.110 -1.387 -2.160
313 HG2 ARG 43 2HG ARG 43 -3.751 0.749 -4.114
314 HG3 ARG 43 3HG ARG 43 -5.201 -0.220 -4.376
315 HD2 ARG 43 2HD ARG 43 -4.772 0.460 -1.576
316 HD3 ARG 43 3HD ARG 43 -4.945 1.878 -2.608
317 HE ARG 43 HE ARG 43 -7.010 0.140 -1.795
318 HH11 ARG 43 1HH1 ARG 43 -5.884 1.901 -4.580
319 HH12 ARG 43 2HH1 ARG 43 -7.463 2.069 -5.274
320 HH21 ARG 43 1HH2 ARG 43 -9.094 0.357 -2.698
321 HH22 ARG 43 2HH2 ARG 43 -9.288 1.192 -4.202
322 H CYS 44 HN CYS 44 -1.277 -0.414 -0.773
323 HA CYS 44 HA CYS 44 0.381 -2.445 -0.107
324 HB2 CYS 44 2HB CYS 44 0.008 -1.928 2.204
325 HB3 CYS 44 3HB CYS 44 -0.155 -0.428 1.295
326 H LYS 45 HN LYS 45 0.086 -4.284 1.408
327 HA LYS 45 HA LYS 45 -1.851 -6.094 0.387
328 HB2 LYS 45 2HB LYS 45 -0.543 -6.740 2.961
329 HB3 LYS 45 3HB LYS 45 -0.689 -7.704 1.498
330 HG2 LYS 45 2HG LYS 45 1.015 -5.996 0.525
331 HG3 LYS 45 3HG LYS 45 1.363 -5.664 2.224
332 HD2 LYS 45 2HD LYS 45 2.897 -7.328 1.676
333 HD3 LYS 45 3HD LYS 45 1.588 -8.223 2.450
334 HE2 LYS 45 2HE LYS 45 0.667 -8.715 0.196
335 HE3 LYS 45 3HE LYS 45 2.078 -7.930 -0.512
336 HZ1 LYS 45 1HZ LYS 45 3.232 -9.788 -0.271
337 HZ2 LYS 45 2HZ LYS 45 1.841 -10.574 0.281
338 HZ3 LYS 45 3HZ LYS 45 2.898 -9.852 1.386
339 H VAL 46 HN VAL 46 -2.142 -3.637 2.597
340 HA VAL 46 HA VAL 46 -4.167 -4.991 4.221
341 HB VAL 46 HB VAL 46 -3.338 -2.123 4.555
342 HG11 VAL 46 1HG1 VAL 46 -5.142 -3.841 5.861
343 HG12 VAL 46 2HG1 VAL 46 -3.788 -3.597 6.966
344 HG13 VAL 46 3HG1 VAL 46 -4.669 -2.208 6.330
345 HG21 VAL 46 1HG2 VAL 46 -1.279 -3.425 4.496
346 HG22 VAL 46 2HG2 VAL 46 -1.612 -2.856 6.132
347 HG23 VAL 46 3HG2 VAL 46 -1.933 -4.536 5.701
348 H CYS 47 HN CYS 47 -3.870 -2.893 1.537
349 HA CYS 47 HA CYS 47 -6.676 -2.045 1.781
350 HB2 CYS 47 2HB CYS 47 -4.344 -0.935 0.228
351 HB3 CYS 47 3HB CYS 47 -6.003 -0.475 -0.138
352 H ALA 48 HN ALA 48 -4.401 -3.782 -0.229
353 HA ALA 48 HA ALA 48 -6.247 -4.147 -2.408
354 HB1 ALA 48 1HB ALA 48 -4.432 -5.902 -3.057
355 HB2 ALA 48 2HB ALA 48 -4.069 -4.178 -3.158
356 HB3 ALA 48 3HB ALA 48 -3.494 -5.121 -1.783
357 H LYS 49 HN LYS 49 -5.174 -5.997 0.385
358 HA LYS 49 HA LYS 49 -7.277 -7.973 -0.204
359 HB2 LYS 49 2HB LYS 49 -5.139 -9.026 -0.626
360 HB3 LYS 49 3HB LYS 49 -4.522 -8.486 0.929
361 HG2 LYS 49 2HG LYS 49 -5.626 -10.097 2.087
362 HG3 LYS 49 3HG LYS 49 -6.964 -10.164 0.938
363 HD2 LYS 49 2HD LYS 49 -5.608 -12.212 0.894
364 HD3 LYS 49 3HD LYS 49 -5.569 -11.361 -0.652
365 HE2 LYS 49 2HE LYS 49 -3.357 -11.184 -0.551
366 HE3 LYS 49 3HE LYS 49 -3.452 -10.413 1.031
367 HZ1 LYS 49 1HZ LYS 49 -2.141 -12.440 1.107
368 HZ2 LYS 49 2HZ LYS 49 -3.454 -13.341 0.539
369 HZ3 LYS 49 3HZ LYS 49 -3.533 -12.597 2.056
370 H GLU 50 HN GLU 50 -8.785 -8.050 1.318
371 HA GLU 50 HA GLU 50 -8.343 -6.735 3.862
372 HB2 GLU 50 2HB GLU 50 -10.747 -7.923 2.501
373 HB3 GLU 50 3HB GLU 50 -10.801 -7.463 4.198
374 HG2 GLU 50 2HG GLU 50 -9.939 -5.541 2.066
375 HG3 GLU 50 3HG GLU 50 -11.636 -5.779 2.482
376 H ILE 51 HN ILE 51 -8.706 -7.724 5.905
377 HA ILE 51 HA ILE 51 -8.944 -10.594 6.084
378 HB ILE 51 HB ILE 51 -6.506 -10.203 5.609
379 HG12 ILE 51 2HG1 ILE 51 -6.930 -11.319 8.377
380 HG13 ILE 51 3HG1 ILE 51 -7.520 -12.148 6.940
381 HG21 ILE 51 1HG2 ILE 51 -5.207 -9.422 7.677
382 HG22 ILE 51 2HG2 ILE 51 -5.992 -8.195 6.683
383 HG23 ILE 51 3HG2 ILE 51 -6.733 -8.708 8.198
384 HD11 ILE 51 1HD1 ILE 51 -5.000 -11.795 6.186
385 HD12 ILE 51 2HD1 ILE 51 -4.761 -11.797 7.933
386 HD13 ILE 51 3HD1 ILE 51 -5.521 -13.179 7.146
387 H GLU 52 HN GLU 52 -9.389 -11.326 8.187
388 HA GLU 52 HA GLU 52 -10.578 -11.094 10.139
389 HB2 GLU 52 2HB GLU 52 -7.898 -10.050 10.414
390 HB3 GLU 52 3HB GLU 52 -8.991 -9.247 11.533
391 HG2 GLU 52 2HG GLU 52 -8.919 -12.231 11.298
392 HG3 GLU 52 3HG GLU 52 -7.779 -11.356 12.321
393 H LEU 53 HN LEU 53 -12.392 -9.991 9.215
394 HA LEU 53 HA LEU 53 -13.906 -8.302 9.002
395 HB2 LEU 53 2HB LEU 53 -12.594 -7.915 11.623
396 HB3 LEU 53 3HB LEU 53 -13.559 -6.568 11.021
397 HG LEU 53 HG LEU 53 -15.542 -7.875 11.025
398 HD11 LEU 53 1HD1 LEU 53 -15.597 -10.238 11.534
399 HD12 LEU 53 2HD1 LEU 53 -13.845 -10.263 11.737
400 HD13 LEU 53 3HD1 LEU 53 -14.544 -9.947 10.149
401 HD21 LEU 53 1HD2 LEU 53 -15.587 -8.707 13.409
402 HD22 LEU 53 2HD2 LEU 53 -15.082 -7.032 13.186
403 HD23 LEU 53 3HD2 LEU 53 -13.878 -8.284 13.498
Start of MODEL 5
1 H1 SER 1 HN SER 1 7.869 11.259 12.516
2 HA SER 1 HA SER 1 7.727 10.022 10.606
3 HB2 SER 1 2HB SER 1 7.918 11.425 8.385
4 HB3 SER 1 3HB SER 1 6.473 11.545 9.390
5 HG SER 1 HG SER 1 7.593 13.391 10.397
6 H ASP 2 HN ASP 2 9.274 8.720 9.882
7 HA ASP 2 HA ASP 2 11.913 9.878 9.270
8 HB2 ASP 2 2HB ASP 2 11.344 7.239 10.637
9 HB3 ASP 2 3HB ASP 2 12.940 7.818 10.168
10 H ARG 3 HN ARG 3 9.283 8.234 8.091
11 HA ARG 3 HA ARG 3 8.921 7.442 5.960
12 HB2 ARG 3 2HB ARG 3 11.860 7.119 5.479
13 HB3 ARG 3 3HB ARG 3 10.578 7.461 4.326
14 HG2 ARG 3 2HG ARG 3 10.697 9.600 6.195
15 HG3 ARG 3 3HG ARG 3 12.328 9.274 5.602
16 HD2 ARG 3 2HD ARG 3 11.797 9.815 3.441
17 HD3 ARG 3 3HD ARG 3 10.102 9.373 3.633
18 HE ARG 3 HE ARG 3 11.312 11.937 4.198
19 HH11 ARG 3 1HH1 ARG 3 8.575 9.842 4.686
20 HH12 ARG 3 2HH1 ARG 3 7.491 11.134 5.078
21 HH21 ARG 3 1HH2 ARG 3 9.894 13.647 4.713
22 HH22 ARG 3 2HH2 ARG 3 8.241 13.298 5.093
23 H THR 4 HN THR 4 8.370 5.728 7.692
24 HA THR 4 HA THR 4 9.975 3.305 7.201
25 HB THR 4 HB THR 4 8.114 3.022 9.396
26 HG1 THR 4 1HG THR 4 9.585 4.528 10.710
27 HG21 THR 4 1HG2 THR 4 11.133 3.002 9.393
28 HG22 THR 4 2HG2 THR 4 10.135 1.635 8.896
29 HG23 THR 4 3HG2 THR 4 10.058 2.225 10.555
30 H CYS 5 HN CYS 5 8.936 1.386 6.671
31 HA CYS 5 HA CYS 5 6.679 1.553 5.042
32 HB2 CYS 5 2HB CYS 5 8.399 -0.271 5.001
33 HB3 CYS 5 3HB CYS 5 7.668 -0.927 6.462
34 H ALA 6 HN ALA 6 4.532 0.889 5.311
35 HA ALA 6 HA ALA 6 3.520 1.249 8.014
36 HB1 ALA 6 1HB ALA 6 1.942 2.342 6.900
37 HB2 ALA 6 2HB ALA 6 2.529 1.726 5.355
38 HB3 ALA 6 3HB ALA 6 1.368 0.789 6.293
39 H ARG 7 HN ARG 7 4.731 -1.307 6.512
40 HA ARG 7 HA ARG 7 2.810 -3.159 7.755
41 HB2 ARG 7 2HB ARG 7 4.383 -3.883 5.297
42 HB3 ARG 7 3HB ARG 7 2.964 -4.678 5.964
43 HG2 ARG 7 2HG ARG 7 3.001 -1.959 4.672
44 HG3 ARG 7 3HG ARG 7 2.447 -3.456 3.918
45 HD2 ARG 7 2HD ARG 7 1.124 -1.722 5.888
46 HD3 ARG 7 3HD ARG 7 0.430 -2.774 4.654
47 HE ARG 7 HE ARG 7 0.823 -3.398 7.401
48 HH11 ARG 7 1HH1 ARG 7 0.824 -4.779 4.205
49 HH12 ARG 7 2HH1 ARG 7 0.420 -6.373 4.752
50 HH21 ARG 7 1HH2 ARG 7 0.292 -5.491 8.133
51 HH22 ARG 7 2HH2 ARG 7 0.117 -6.777 6.987
52 H CYS 8 HN CYS 8 6.143 -2.567 6.758
53 HA CYS 8 HA CYS 8 7.053 -4.722 8.530
54 HB2 CYS 8 2HB CYS 8 8.741 -3.127 6.600
55 HB3 CYS 8 3HB CYS 8 9.135 -4.664 7.363
56 H GLN 9 HN GLN 9 6.868 -1.306 8.255
57 HA GLN 9 HA GLN 9 7.532 0.405 9.598
58 HB2 GLN 9 2HB GLN 9 7.332 -1.926 11.392
59 HB3 GLN 9 3HB GLN 9 8.316 -0.602 12.002
60 HG2 GLN 9 2HG GLN 9 6.549 0.767 12.282
61 HG3 GLN 9 3HG GLN 9 5.702 0.146 10.867
62 HE21 GLN 9 1HE2 GLN 9 4.444 -1.724 11.065
63 HE22 GLN 9 2HE2 GLN 9 3.893 -2.287 12.603
64 H GLU 10 HN GLU 10 9.476 -0.859 7.885
65 HA GLU 10 HA GLU 10 11.945 -0.451 9.437
66 HB2 GLU 10 2HB GLU 10 11.197 -2.325 7.297
67 HB3 GLU 10 3HB GLU 10 12.769 -1.566 7.080
68 HG2 GLU 10 2HG GLU 10 13.201 -2.269 9.518
69 HG3 GLU 10 3HG GLU 10 11.829 -3.350 9.287
70 H SER 11 HN SER 11 13.530 0.929 8.680
71 HA SER 11 HA SER 11 12.894 3.296 7.549
72 HB2 SER 11 2HB SER 11 15.117 2.674 8.547
73 HB3 SER 11 3HB SER 11 15.529 1.908 7.012
74 HG SER 11 HG SER 11 16.020 3.804 6.284
75 H LEU 12 HN LEU 12 12.797 4.219 5.525
76 HA LEU 12 HA LEU 12 12.384 2.338 3.326
77 HB2 LEU 12 2HB LEU 12 11.502 5.114 3.927
78 HB3 LEU 12 3HB LEU 12 11.625 4.624 2.238
79 HG LEU 12 HG LEU 12 9.368 4.417 3.616
80 HD11 LEU 12 1HD1 LEU 12 10.000 2.089 1.874
81 HD12 LEU 12 2HD1 LEU 12 10.096 3.711 1.192
82 HD13 LEU 12 3HD1 LEU 12 8.582 3.138 1.891
83 HD21 LEU 12 1HD2 LEU 12 10.578 1.691 4.019
84 HD22 LEU 12 2HD2 LEU 12 9.017 2.285 4.585
85 HD23 LEU 12 3HD2 LEU 12 10.508 2.912 5.289
86 H GLY 13 HN GLY 13 14.450 4.975 4.322
87 HA2 GLY 13 1HA GLY 13 16.168 6.070 3.196
88 HA3 GLY 13 2HA GLY 13 16.696 4.405 2.992
89 H ARG 14 HN ARG 14 17.201 3.905 0.977
90 HA ARG 14 HA ARG 14 16.463 5.571 -1.220
91 HB2 ARG 14 2HB ARG 14 18.143 3.168 -0.809
92 HB3 ARG 14 3HB ARG 14 17.488 3.386 -2.426
93 HG2 ARG 14 2HG ARG 14 19.815 4.378 -1.781
94 HG3 ARG 14 3HG ARG 14 18.708 5.281 -2.818
95 HD2 ARG 14 2HD ARG 14 18.453 5.694 0.102
96 HD3 ARG 14 3HD ARG 14 19.896 6.349 -0.673
97 HE ARG 14 HE ARG 14 17.887 7.218 -2.263
98 HH11 ARG 14 1HH1 ARG 14 18.470 7.377 1.166
99 HH12 ARG 14 2HH1 ARG 14 17.620 8.872 1.373
100 HH21 ARG 14 1HH2 ARG 14 16.765 9.187 -2.003
101 HH22 ARG 14 2HH2 ARG 14 16.649 9.901 -0.430
102 H LEU 15 HN LEU 15 14.083 5.233 -0.645
103 HA LEU 15 HA LEU 15 13.052 2.925 -2.162
104 HB2 LEU 15 2HB LEU 15 12.308 4.031 0.450
105 HB3 LEU 15 3HB LEU 15 10.945 3.709 -0.619
106 HG LEU 15 HG LEU 15 11.910 1.908 1.100
107 HD11 LEU 15 1HD1 LEU 15 9.910 1.502 -0.067
108 HD12 LEU 15 2HD1 LEU 15 10.977 0.164 -0.493
109 HD13 LEU 15 3HD1 LEU 15 10.727 1.489 -1.630
110 HD21 LEU 15 1HD2 LEU 15 13.257 1.042 -1.429
111 HD22 LEU 15 2HD2 LEU 15 13.482 0.450 0.216
112 HD23 LEU 15 3HD2 LEU 15 14.115 2.030 -0.246
113 H SER 16 HN SER 16 12.699 6.341 -1.407
114 HA SER 16 HA SER 16 11.986 8.044 -2.784
115 HB2 SER 16 2HB SER 16 12.498 6.302 -4.670
116 HB3 SER 16 3HB SER 16 10.746 6.106 -4.711
117 HG SER 16 HG SER 16 10.749 8.510 -4.883
118 HA PRO 17 HA PRO 17 7.934 7.261 -0.725
119 HB2 PRO 17 2HB PRO 17 7.951 9.591 0.669
120 HB3 PRO 17 3HB PRO 17 8.745 8.120 1.246
121 HG2 PRO 17 2HG PRO 17 9.934 10.500 -0.129
122 HG3 PRO 17 3HG PRO 17 10.549 9.588 1.262
123 HD2 PRO 17 2HD PRO 17 11.492 9.226 -1.251
124 HD3 PRO 17 3HD PRO 17 11.414 7.911 -0.061
125 H LYS 18 HN LYS 18 9.139 9.306 -3.054
126 HA LYS 18 HA LYS 18 7.214 11.326 -3.268
127 HB2 LYS 18 2HB LYS 18 9.193 11.523 -4.566
128 HB3 LYS 18 3HB LYS 18 8.943 9.954 -5.322
129 HG2 LYS 18 2HG LYS 18 8.470 11.840 -6.831
130 HG3 LYS 18 3HG LYS 18 7.066 10.801 -6.570
131 HD2 LYS 18 2HD LYS 18 6.036 12.372 -5.151
132 HD3 LYS 18 3HD LYS 18 7.529 13.293 -4.954
133 HE2 LYS 18 2HE LYS 18 6.746 13.081 -7.736
134 HE3 LYS 18 3HE LYS 18 5.477 13.810 -6.752
135 HZ1 LYS 18 1HZ LYS 18 7.201 15.356 -7.739
136 HZ2 LYS 18 2HZ LYS 18 8.285 14.726 -6.605
137 HZ3 LYS 18 3HZ LYS 18 6.890 15.530 -6.086
138 H THR 19 HN THR 19 7.214 7.997 -4.406
139 HA THR 19 HA THR 19 4.354 8.275 -5.013
140 HB THR 19 HB THR 19 5.140 8.264 -7.197
141 HG1 THR 19 1HG THR 19 4.335 6.399 -7.932
142 HG21 THR 19 1HG2 THR 19 6.965 6.616 -7.917
143 HG22 THR 19 2HG2 THR 19 7.296 6.424 -6.196
144 HG23 THR 19 3HG2 THR 19 7.462 8.007 -6.954
145 H ASN 20 HN ASN 20 6.618 6.814 -3.187
146 HA ASN 20 HA ASN 20 5.535 4.123 -3.243
147 HB2 ASN 20 2HB ASN 20 7.689 5.428 -1.572
148 HB3 ASN 20 3HB ASN 20 7.184 3.754 -1.363
149 HD21 ASN 20 1HD2 ASN 20 9.351 3.168 -1.861
150 HD22 ASN 20 2HD2 ASN 20 9.887 3.112 -3.502
151 H THR 21 HN THR 21 3.781 6.334 -2.505
152 HA THR 21 HA THR 21 3.162 5.566 0.274
153 HB THR 21 HB THR 21 2.507 8.159 -1.140
154 HG1 THR 21 1HG THR 21 4.534 8.442 -0.473
155 HG21 THR 21 1HG2 THR 21 2.097 7.703 1.783
156 HG22 THR 21 2HG2 THR 21 0.878 7.128 0.645
157 HG23 THR 21 3HG2 THR 21 1.297 8.840 0.699
158 H CYS 22 HN CYS 22 1.683 3.977 0.075
159 HA CYS 22 HA CYS 22 -0.086 3.363 -1.845
160 HB2 CYS 22 2HB CYS 22 0.166 2.119 0.285
161 HB3 CYS 22 3HB CYS 22 -0.775 3.362 1.102
162 H ARG 23 HN ARG 23 -1.755 4.272 -2.851
163 HA ARG 23 HA ARG 23 -2.670 6.879 -2.037
164 HB2 ARG 23 2HB ARG 23 -4.164 5.561 -4.186
165 HB3 ARG 23 3HB ARG 23 -3.337 7.114 -4.175
166 HG2 ARG 23 2HG ARG 23 -1.178 5.715 -4.329
167 HG3 ARG 23 3HG ARG 23 -2.252 4.407 -4.830
168 HD2 ARG 23 2HD ARG 23 -2.674 5.348 -6.838
169 HD3 ARG 23 3HD ARG 23 -2.675 6.986 -6.185
170 HE ARG 23 HE ARG 23 -0.419 5.540 -7.275
171 HH11 ARG 23 1HH1 ARG 23 -1.503 8.237 -5.361
172 HH12 ARG 23 2HH1 ARG 23 -0.043 9.146 -5.578
173 HH21 ARG 23 1HH2 ARG 23 1.507 6.727 -7.569
174 HH22 ARG 23 2HH2 ARG 23 1.668 8.286 -6.835
175 H GLY 24 HN GLY 24 -3.347 4.111 -0.693
176 HA2 GLY 24 1HA GLY 24 -6.270 4.476 -0.615
177 HA3 GLY 24 2HA GLY 24 -5.421 3.005 -0.164
178 H CYS 25 HN CYS 25 -3.504 3.893 1.548
179 HA CYS 25 HA CYS 25 -5.125 4.918 3.776
180 HB2 CYS 25 2HB CYS 25 -3.199 3.920 5.163
181 HB3 CYS 25 3HB CYS 25 -4.313 2.801 4.383
182 H ASN 26 HN ASN 26 -2.443 5.612 1.758
183 HA ASN 26 HA ASN 26 -1.261 7.568 1.539
184 HB2 ASN 26 2HB ASN 26 -2.283 8.544 4.191
185 HB3 ASN 26 3HB ASN 26 -1.788 9.481 2.785
186 HD21 ASN 26 1HD2 ASN 26 -3.282 7.647 0.997
187 HD22 ASN 26 2HD2 ASN 26 -4.939 8.107 1.165
188 H HIS 27 HN HIS 27 -0.367 5.152 2.866
189 HA HIS 27 HA HIS 27 1.711 6.305 4.612
190 HB2 HIS 27 2HB HIS 27 0.426 3.572 4.770
191 HB3 HIS 27 3HB HIS 27 1.815 4.076 5.727
192 HD1 HIS 27 1HD HIS 27 0.911 6.835 6.652
193 HD2 HIS 27 2HD HIS 27 -1.566 3.500 6.610
194 HE1 HIS 27 1HE HIS 27 -0.897 7.319 8.331
195 H LEU 28 HN LEU 28 3.778 5.142 4.588
196 HA LEU 28 HA LEU 28 4.598 4.597 1.898
197 HB2 LEU 28 2HB LEU 28 6.067 4.447 4.524
198 HB3 LEU 28 3HB LEU 28 6.823 4.183 2.954
199 HG LEU 28 HG LEU 28 5.513 6.759 3.821
200 HD11 LEU 28 1HD1 LEU 28 8.457 6.287 3.494
201 HD12 LEU 28 2HD1 LEU 28 7.643 6.034 5.037
202 HD13 LEU 28 3HD1 LEU 28 7.630 7.629 4.286
203 HD21 LEU 28 1HD2 LEU 28 6.610 7.685 1.842
204 HD22 LEU 28 2HD2 LEU 28 5.474 6.407 1.410
205 HD23 LEU 28 3HD2 LEU 28 7.208 6.080 1.420
206 H VAL 29 HN VAL 29 5.533 2.669 1.106
207 HA VAL 29 HA VAL 29 5.346 0.242 2.670
208 HB VAL 29 HB VAL 29 4.006 -0.332 0.201
209 HG11 VAL 29 1HG1 VAL 29 2.645 -1.601 1.545
210 HG12 VAL 29 2HG1 VAL 29 4.068 -1.448 2.578
211 HG13 VAL 29 3HG1 VAL 29 2.659 -0.424 2.857
212 HG21 VAL 29 1HG2 VAL 29 2.630 1.736 1.914
213 HG22 VAL 29 2HG2 VAL 29 3.284 2.018 0.300
214 HG23 VAL 29 3HG2 VAL 29 1.938 0.900 0.524
215 H CYS 30 HN CYS 30 7.152 -0.821 2.238
216 HA CYS 30 HA CYS 30 9.007 -0.246 0.309
217 HB2 CYS 30 2HB CYS 30 9.923 -2.509 0.690
218 HB3 CYS 30 3HB CYS 30 9.496 -1.707 2.198
219 H ARG 31 HN ARG 31 9.751 -1.951 -1.407
220 HA ARG 31 HA ARG 31 7.624 -2.082 -3.355
221 HB2 ARG 31 2HB ARG 31 9.424 -2.918 -4.869
222 HB3 ARG 31 3HB ARG 31 9.780 -1.362 -4.131
223 HG2 ARG 31 2HG ARG 31 11.511 -2.173 -2.920
224 HG3 ARG 31 3HG ARG 31 10.768 -3.760 -2.716
225 HD2 ARG 31 2HD ARG 31 11.249 -3.528 -5.453
226 HD3 ARG 31 3HD ARG 31 12.685 -2.858 -4.679
227 HE ARG 31 HE ARG 31 11.969 -5.308 -3.464
228 HH11 ARG 31 1HH1 ARG 31 13.375 -4.004 -6.370
229 HH12 ARG 31 2HH1 ARG 31 14.320 -5.418 -6.703
230 HH21 ARG 31 1HH2 ARG 31 13.207 -7.175 -3.892
231 HH22 ARG 31 2HH2 ARG 31 14.223 -7.222 -5.293
232 H ASP 32 HN ASP 32 7.900 -3.905 -0.877
233 HA ASP 32 HA ASP 32 7.468 -6.429 -2.336
234 HB2 ASP 32 2HB ASP 32 9.588 -6.279 -0.895
235 HB3 ASP 32 3HB ASP 32 8.503 -6.300 0.491
236 H CYS 33 HN CYS 33 6.173 -4.073 -0.318
237 HA CYS 33 HA CYS 33 4.120 -5.899 0.731
238 HB2 CYS 33 2HB CYS 33 5.024 -3.155 1.598
239 HB3 CYS 33 3HB CYS 33 3.528 -3.878 2.178
240 H ARG 34 HN ARG 34 4.488 -4.424 -1.992
241 HA ARG 34 HA ARG 34 1.877 -3.078 -2.056
242 HB2 ARG 34 2HB ARG 34 3.565 -2.968 -4.465
243 HB3 ARG 34 3HB ARG 34 2.685 -1.686 -3.645
244 HG2 ARG 34 2HG ARG 34 4.438 -1.431 -2.030
245 HG3 ARG 34 3HG ARG 34 5.288 -2.839 -2.672
246 HD2 ARG 34 2HD ARG 34 5.912 -1.728 -4.620
247 HD3 ARG 34 3HD ARG 34 4.661 -0.499 -4.431
248 HE ARG 34 HE ARG 34 6.206 -0.036 -2.298
249 HH11 ARG 34 1HH1 ARG 34 6.990 -0.526 -5.654
250 HH12 ARG 34 2HH1 ARG 34 8.402 0.475 -5.605
251 HH21 ARG 34 1HH2 ARG 34 8.066 1.285 -2.221
252 HH22 ARG 34 2HH2 ARG 34 9.015 1.504 -3.651
253 H ILE 35 HN ILE 35 0.242 -3.783 -3.343
254 HA ILE 35 HA ILE 35 0.672 -6.361 -4.693
255 HB ILE 35 HB ILE 35 -1.723 -5.161 -3.353
256 HG12 ILE 35 2HG1 ILE 35 -1.831 -7.457 -2.373
257 HG13 ILE 35 3HG1 ILE 35 -0.366 -7.863 -3.261
258 HG21 ILE 35 1HG2 ILE 35 -1.702 -6.910 -5.727
259 HG22 ILE 35 2HG2 ILE 35 -2.787 -7.385 -4.421
260 HG23 ILE 35 3HG2 ILE 35 -2.934 -5.787 -5.153
261 HD11 ILE 35 1HD1 ILE 35 -0.342 -5.501 -1.457
262 HD12 ILE 35 2HD1 ILE 35 -0.263 -7.120 -0.761
263 HD13 ILE 35 3HD1 ILE 35 0.967 -6.593 -1.910
264 H GLN 36 HN GLN 36 0.768 -6.296 -6.831
265 HA GLN 36 HA GLN 36 0.263 -4.050 -8.400
266 HB2 GLN 36 2HB GLN 36 0.379 -6.972 -9.151
267 HB3 GLN 36 3HB GLN 36 0.301 -5.667 -10.327
268 HG2 GLN 36 2HG GLN 36 2.590 -6.718 -9.637
269 HG3 GLN 36 3HG GLN 36 2.441 -4.986 -9.929
270 HE21 GLN 36 1HE2 GLN 36 2.529 -3.562 -8.202
271 HE22 GLN 36 2HE2 GLN 36 3.105 -4.035 -6.643
272 H GLU 37 HN GLU 37 -1.642 -3.075 -8.604
273 HA GLU 37 HA GLU 37 -4.102 -4.635 -8.576
274 HB2 GLU 37 2HB GLU 37 -3.676 -1.642 -8.681
275 HB3 GLU 37 3HB GLU 37 -5.230 -2.447 -8.503
276 HG2 GLU 37 2HG GLU 37 -2.957 -2.699 -6.549
277 HG3 GLU 37 3HG GLU 37 -4.294 -1.561 -6.387
278 H SER 38 HN SER 38 -5.688 -4.500 -10.222
279 HA SER 38 HA SER 38 -4.533 -4.232 -12.878
280 HB2 SER 38 2HB SER 38 -6.867 -5.620 -11.701
281 HB3 SER 38 3HB SER 38 -7.080 -5.023 -13.347
282 HG SER 38 HG SER 38 -5.824 -7.206 -12.580
283 H ASN 39 HN ASN 39 -5.430 -1.960 -11.002
284 HA ASN 39 HA ASN 39 -7.366 -0.648 -12.773
285 HB2 ASN 39 2HB ASN 39 -7.109 -0.730 -9.979
286 HB3 ASN 39 3HB ASN 39 -6.644 0.904 -10.444
287 HD21 ASN 39 1HD2 ASN 39 -8.600 1.424 -9.208
288 HD22 ASN 39 2HD2 ASN 39 -10.121 1.403 -10.029
289 H GLY 40 HN GLY 40 -4.097 -0.889 -12.411
290 HA2 GLY 40 1HA GLY 40 -2.631 0.314 -13.869
291 HA3 GLY 40 2HA GLY 40 -3.701 1.702 -13.742
292 H THR 41 HN THR 41 -3.092 0.110 -10.793
293 HA THR 41 HA THR 41 -0.777 1.742 -10.131
294 HB THR 41 HB THR 41 -2.884 3.111 -9.676
295 HG1 THR 41 1HG THR 41 -1.571 4.065 -8.328
296 HG21 THR 41 1HG2 THR 41 -3.975 0.962 -8.637
297 HG22 THR 41 2HG2 THR 41 -4.329 2.555 -7.967
298 HG23 THR 41 3HG2 THR 41 -3.155 1.504 -7.174
299 H TRP 42 HN TRP 42 -1.083 1.442 -7.306
300 HA TRP 42 HA TRP 42 -1.229 -1.439 -6.866
301 HB2 TRP 42 2HB TRP 42 0.973 -1.544 -5.830
302 HB3 TRP 42 3HB TRP 42 1.120 -0.981 -7.492
303 HD1 TRP 42 1HD TRP 42 2.287 1.306 -7.873
304 HE1 TRP 42 1HE TRP 42 3.301 3.094 -6.324
305 HE3 TRP 42 3HE TRP 42 0.578 -0.446 -3.384
306 HZ2 TRP 42 2HZ TRP 42 3.368 3.683 -3.564
307 HZ3 TRP 42 3HZ TRP 42 1.162 0.787 -1.337
308 HH2 TRP 42 2HH TRP 42 2.530 2.808 -1.427
309 H ARG 43 HN ARG 43 -1.383 -2.033 -4.639
310 HA ARG 43 HA ARG 43 -1.774 0.150 -2.732
311 HB2 ARG 43 2HB ARG 43 -3.856 -1.846 -3.571
312 HB3 ARG 43 3HB ARG 43 -3.890 -1.139 -1.963
313 HG2 ARG 43 2HG ARG 43 -3.609 0.797 -4.148
314 HG3 ARG 43 3HG ARG 43 -5.129 -0.100 -4.133
315 HD2 ARG 43 2HD ARG 43 -4.529 0.692 -1.469
316 HD3 ARG 43 3HD ARG 43 -4.349 2.099 -2.516
317 HE ARG 43 HE ARG 43 -6.783 0.844 -1.756
318 HH11 ARG 43 1HH1 ARG 43 -5.219 2.495 -4.392
319 HH12 ARG 43 2HH1 ARG 43 -6.700 3.080 -5.075
320 HH21 ARG 43 1HH2 ARG 43 -8.739 1.609 -2.645
321 HH22 ARG 43 2HH2 ARG 43 -8.701 2.577 -4.080
322 H CYS 44 HN CYS 44 -1.288 -0.369 -0.639
323 HA CYS 44 HA CYS 44 0.494 -2.374 -0.067
324 HB2 CYS 44 2HB CYS 44 0.145 -1.899 2.257
325 HB3 CYS 44 3HB CYS 44 -0.036 -0.387 1.373
326 H LYS 45 HN LYS 45 0.243 -4.242 1.415
327 HA LYS 45 HA LYS 45 -1.663 -6.069 0.390
328 HB2 LYS 45 2HB LYS 45 -0.352 -6.670 2.982
329 HB3 LYS 45 3HB LYS 45 -0.516 -7.671 1.545
330 HG2 LYS 45 2HG LYS 45 1.169 -5.947 0.524
331 HG3 LYS 45 3HG LYS 45 1.556 -5.643 2.218
332 HD2 LYS 45 2HD LYS 45 3.058 -7.315 1.668
333 HD3 LYS 45 3HD LYS 45 1.725 -8.233 2.372
334 HE2 LYS 45 2HE LYS 45 0.862 -8.683 0.120
335 HE3 LYS 45 3HE LYS 45 2.209 -7.782 -0.572
336 HZ1 LYS 45 1HZ LYS 45 3.228 -9.716 1.184
337 HZ2 LYS 45 2HZ LYS 45 3.436 -9.603 -0.490
338 HZ3 LYS 45 3HZ LYS 45 2.133 -10.477 0.143
339 H VAL 46 HN VAL 46 -1.979 -3.642 2.658
340 HA VAL 46 HA VAL 46 -4.026 -5.027 4.224
341 HB VAL 46 HB VAL 46 -3.092 -2.180 4.570
342 HG11 VAL 46 1HG1 VAL 46 -5.054 -2.401 5.774
343 HG12 VAL 46 2HG1 VAL 46 -4.741 -4.090 6.175
344 HG13 VAL 46 3HG1 VAL 46 -3.834 -2.809 6.978
345 HG21 VAL 46 1HG2 VAL 46 -1.267 -3.972 4.703
346 HG22 VAL 46 2HG2 VAL 46 -1.434 -2.870 6.071
347 HG23 VAL 46 3HG2 VAL 46 -2.082 -4.507 6.173
348 H CYS 47 HN CYS 47 -3.716 -2.908 1.562
349 HA CYS 47 HA CYS 47 -6.525 -2.071 1.788
350 HB2 CYS 47 2HB CYS 47 -4.195 -0.949 0.237
351 HB3 CYS 47 3HB CYS 47 -5.857 -0.477 -0.100
352 H ALA 48 HN ALA 48 -4.235 -3.807 -0.199
353 HA ALA 48 HA ALA 48 -6.089 -4.176 -2.382
354 HB1 ALA 48 1HB ALA 48 -3.285 -4.529 -1.964
355 HB2 ALA 48 2HB ALA 48 -3.975 -6.025 -2.595
356 HB3 ALA 48 3HB ALA 48 -4.190 -4.512 -3.478
357 H LYS 49 HN LYS 49 -5.259 -5.801 0.547
358 HA LYS 49 HA LYS 49 -5.755 -8.427 0.169
359 HB2 LYS 49 2HB LYS 49 -6.010 -6.590 2.370
360 HB3 LYS 49 3HB LYS 49 -7.308 -7.775 2.432
361 HG2 LYS 49 2HG LYS 49 -5.679 -9.583 2.368
362 HG3 LYS 49 3HG LYS 49 -4.368 -8.406 2.272
363 HD2 LYS 49 2HD LYS 49 -4.374 -8.843 4.526
364 HD3 LYS 49 3HD LYS 49 -5.480 -7.469 4.463
365 HE2 LYS 49 2HE LYS 49 -6.786 -8.854 5.686
366 HE3 LYS 49 3HE LYS 49 -7.233 -9.459 4.091
367 HZ1 LYS 49 1HZ LYS 49 -6.215 -10.937 6.144
368 HZ2 LYS 49 2HZ LYS 49 -4.887 -10.730 5.118
369 HZ3 LYS 49 3HZ LYS 49 -6.313 -11.420 4.526
370 H GLU 50 HN GLU 50 -8.480 -6.589 1.469
371 HA GLU 50 HA GLU 50 -10.227 -7.231 -0.709
372 HB2 GLU 50 2HB GLU 50 -9.881 -9.287 1.059
373 HB3 GLU 50 3HB GLU 50 -11.275 -8.466 1.745
374 HG2 GLU 50 2HG GLU 50 -12.627 -8.996 0.003
375 HG3 GLU 50 3HG GLU 50 -11.308 -8.995 -1.166
376 H ILE 51 HN ILE 51 -10.446 -4.935 -0.536
377 HA ILE 51 HA ILE 51 -12.634 -4.167 1.168
378 HB ILE 51 HB ILE 51 -11.138 -3.596 2.826
379 HG12 ILE 51 2HG1 ILE 51 -11.027 -1.101 1.125
380 HG13 ILE 51 3HG1 ILE 51 -12.464 -1.613 2.004
381 HG21 ILE 51 1HG2 ILE 51 -8.991 -2.192 1.776
382 HG22 ILE 51 2HG2 ILE 51 -8.979 -3.857 2.352
383 HG23 ILE 51 3HG2 ILE 51 -9.241 -3.519 0.642
384 HD11 ILE 51 1HD1 ILE 51 -10.090 -0.244 2.946
385 HD12 ILE 51 2HD1 ILE 51 -11.690 -0.380 3.678
386 HD13 ILE 51 3HD1 ILE 51 -10.496 -1.654 3.926
387 H GLU 52 HN GLU 52 -13.912 -2.860 0.040
388 HA GLU 52 HA GLU 52 -12.717 -1.283 -2.143
389 HB2 GLU 52 2HB GLU 52 -14.910 -3.167 -2.144
390 HB3 GLU 52 3HB GLU 52 -15.452 -1.586 -2.685
391 HG2 GLU 52 2HG GLU 52 -12.929 -2.411 -3.884
392 HG3 GLU 52 3HG GLU 52 -14.269 -3.497 -4.244
393 H LEU 53 HN LEU 53 -13.168 0.849 -2.251
394 HA LEU 53 HA LEU 53 -14.284 2.137 0.021
395 HB2 LEU 53 2HB LEU 53 -12.530 2.906 -1.826
396 HB3 LEU 53 3HB LEU 53 -13.981 3.611 -2.536
397 HG LEU 53 HG LEU 53 -13.250 5.390 -1.320
398 HD11 LEU 53 1HD1 LEU 53 -14.659 5.711 0.497
399 HD12 LEU 53 2HD1 LEU 53 -14.562 4.024 1.001
400 HD13 LEU 53 3HD1 LEU 53 -15.488 4.464 -0.434
401 HD21 LEU 53 1HD2 LEU 53 -11.476 5.215 -0.001
402 HD22 LEU 53 2HD2 LEU 53 -11.607 3.458 -0.086
403 HD23 LEU 53 3HD2 LEU 53 -12.421 4.343 1.205
Start of MODEL 6
1 H1 SER 1 HN SER 1 7.241 9.924 11.725
2 HA SER 1 HA SER 1 7.697 11.014 9.483
3 HB2 SER 1 2HB SER 1 8.266 12.080 12.143
4 HB3 SER 1 3HB SER 1 9.180 12.899 10.876
5 HG SER 1 HG SER 1 7.223 13.927 11.049
6 H ASP 2 HN ASP 2 9.658 8.824 9.910
7 HA ASP 2 HA ASP 2 12.067 10.193 8.902
8 HB2 ASP 2 2HB ASP 2 11.817 7.620 10.468
9 HB3 ASP 2 3HB ASP 2 13.306 8.148 9.691
10 H ARG 3 HN ARG 3 9.482 8.637 7.816
11 HA ARG 3 HA ARG 3 9.020 7.733 5.764
12 HB2 ARG 3 2HB ARG 3 11.961 7.448 5.208
13 HB3 ARG 3 3HB ARG 3 10.640 7.638 4.062
14 HG2 ARG 3 2HG ARG 3 10.967 9.872 5.932
15 HG3 ARG 3 3HG ARG 3 12.320 9.619 4.828
16 HD2 ARG 3 2HD ARG 3 9.870 9.362 3.382
17 HD3 ARG 3 3HD ARG 3 9.840 10.865 4.303
18 HE ARG 3 HE ARG 3 12.319 10.649 3.012
19 HH11 ARG 3 1HH1 ARG 3 8.952 11.126 2.265
20 HH12 ARG 3 2HH1 ARG 3 9.266 12.035 0.825
21 HH21 ARG 3 1HH2 ARG 3 12.745 11.845 1.118
22 HH22 ARG 3 2HH2 ARG 3 11.424 12.442 0.172
23 H THR 4 HN THR 4 8.542 6.059 7.556
24 HA THR 4 HA THR 4 10.093 3.612 7.011
25 HB THR 4 HB THR 4 8.392 3.475 9.373
26 HG1 THR 4 1HG THR 4 8.923 5.651 9.627
27 HG21 THR 4 1HG2 THR 4 10.062 1.812 8.977
28 HG22 THR 4 2HG2 THR 4 10.577 2.748 10.381
29 HG23 THR 4 3HG2 THR 4 11.321 3.035 8.808
30 H CYS 5 HN CYS 5 8.973 1.670 6.685
31 HA CYS 5 HA CYS 5 6.591 1.842 5.224
32 HB2 CYS 5 2HB CYS 5 8.309 -0.006 5.115
33 HB3 CYS 5 3HB CYS 5 7.627 -0.634 6.611
34 H ALA 6 HN ALA 6 4.467 1.295 5.696
35 HA ALA 6 HA ALA 6 3.724 1.638 8.491
36 HB1 ALA 6 1HB ALA 6 2.364 1.969 5.885
37 HB2 ALA 6 2HB ALA 6 1.358 1.503 7.258
38 HB3 ALA 6 3HB ALA 6 2.318 2.981 7.330
39 H ARG 7 HN ARG 7 4.544 -0.923 6.657
40 HA ARG 7 HA ARG 7 2.661 -2.713 8.047
41 HB2 ARG 7 2HB ARG 7 4.025 -3.352 5.435
42 HB3 ARG 7 3HB ARG 7 2.698 -4.214 6.199
43 HG2 ARG 7 2HG ARG 7 2.574 -1.454 5.003
44 HG3 ARG 7 3HG ARG 7 1.907 -2.931 4.308
45 HD2 ARG 7 2HD ARG 7 0.990 -1.375 6.692
46 HD3 ARG 7 3HD ARG 7 0.059 -1.941 5.305
47 HE ARG 7 HE ARG 7 0.792 -4.246 6.451
48 HH11 ARG 7 1HH1 ARG 7 -0.596 -1.341 7.776
49 HH12 ARG 7 2HH1 ARG 7 -1.433 -2.166 9.049
50 HH21 ARG 7 1HH2 ARG 7 -0.304 -5.343 8.124
51 HH22 ARG 7 2HH2 ARG 7 -1.265 -4.442 9.247
52 H CYS 8 HN CYS 8 5.959 -2.164 6.970
53 HA CYS 8 HA CYS 8 6.858 -4.468 8.561
54 HB2 CYS 8 2HB CYS 8 8.439 -2.861 6.545
55 HB3 CYS 8 3HB CYS 8 8.928 -4.370 7.308
56 H GLN 9 HN GLN 9 6.867 -1.028 8.395
57 HA GLN 9 HA GLN 9 7.649 0.584 9.795
58 HB2 GLN 9 2HB GLN 9 7.585 -1.838 11.508
59 HB3 GLN 9 3HB GLN 9 8.522 -0.474 12.102
60 HG2 GLN 9 2HG GLN 9 6.052 -0.688 12.785
61 HG3 GLN 9 3HG GLN 9 6.670 0.889 12.295
62 HE21 GLN 9 1HE2 GLN 9 5.561 -1.962 10.497
63 HE22 GLN 9 2HE2 GLN 9 4.383 -1.122 9.555
64 H GLU 10 HN GLU 10 9.429 -0.717 7.904
65 HA GLU 10 HA GLU 10 12.011 -0.496 9.292
66 HB2 GLU 10 2HB GLU 10 11.042 -2.084 6.998
67 HB3 GLU 10 3HB GLU 10 12.662 -1.423 6.829
68 HG2 GLU 10 2HG GLU 10 11.753 -3.063 9.179
69 HG3 GLU 10 3HG GLU 10 12.571 -3.724 7.765
70 H SER 11 HN SER 11 13.776 0.563 8.101
71 HA SER 11 HA SER 11 13.078 3.169 7.324
72 HB2 SER 11 2HB SER 11 15.510 3.253 6.519
73 HB3 SER 11 3HB SER 11 15.249 2.872 8.221
74 HG SER 11 HG SER 11 16.496 1.236 7.733
75 H LEU 12 HN LEU 12 12.857 4.160 5.369
76 HA LEU 12 HA LEU 12 12.372 2.414 3.095
77 HB2 LEU 12 2HB LEU 12 11.769 5.272 3.734
78 HB3 LEU 12 3HB LEU 12 11.698 4.705 2.066
79 HG LEU 12 HG LEU 12 9.581 4.754 3.717
80 HD11 LEU 12 1HD1 LEU 12 10.322 3.287 1.295
81 HD12 LEU 12 2HD1 LEU 12 8.899 4.270 1.641
82 HD13 LEU 12 3HD1 LEU 12 8.964 2.591 2.180
83 HD21 LEU 12 1HD2 LEU 12 9.120 2.644 4.674
84 HD22 LEU 12 2HD2 LEU 12 10.750 3.070 5.198
85 HD23 LEU 12 3HD2 LEU 12 10.519 1.901 3.896
86 H GLY 13 HN GLY 13 15.109 2.829 3.985
87 HA2 GLY 13 1HA GLY 13 16.673 4.626 2.710
88 HA3 GLY 13 2HA GLY 13 17.130 2.936 2.859
89 H ARG 14 HN ARG 14 16.913 5.337 0.706
90 HA ARG 14 HA ARG 14 16.439 5.504 -1.552
91 HB2 ARG 14 2HB ARG 14 18.675 4.687 -1.599
92 HB3 ARG 14 3HB ARG 14 18.155 3.044 -1.250
93 HG2 ARG 14 2HG ARG 14 17.621 2.609 -3.398
94 HG3 ARG 14 3HG ARG 14 17.075 4.258 -3.711
95 HD2 ARG 14 2HD ARG 14 18.998 4.651 -4.749
96 HD3 ARG 14 3HD ARG 14 19.834 4.423 -3.213
97 HE ARG 14 HE ARG 14 19.520 1.897 -4.103
98 HH11 ARG 14 1HH1 ARG 14 20.783 4.790 -5.571
99 HH12 ARG 14 2HH1 ARG 14 21.898 3.942 -6.592
100 HH21 ARG 14 1HH2 ARG 14 20.983 0.769 -5.441
101 HH22 ARG 14 2HH2 ARG 14 22.010 1.655 -6.517
102 H LEU 15 HN LEU 15 14.102 4.950 -0.973
103 HA LEU 15 HA LEU 15 13.321 2.524 -2.450
104 HB2 LEU 15 2HB LEU 15 12.897 2.910 0.202
105 HB3 LEU 15 3HB LEU 15 11.410 3.571 -0.476
106 HG LEU 15 HG LEU 15 12.233 0.898 -1.444
107 HD11 LEU 15 1HD1 LEU 15 12.680 0.950 1.056
108 HD12 LEU 15 2HD1 LEU 15 11.566 -0.285 0.472
109 HD13 LEU 15 3HD1 LEU 15 10.942 1.167 1.254
110 HD21 LEU 15 1HD2 LEU 15 9.815 0.519 -1.295
111 HD22 LEU 15 2HD2 LEU 15 10.196 1.963 -2.236
112 HD23 LEU 15 3HD2 LEU 15 9.614 2.118 -0.577
113 H SER 16 HN SER 16 12.827 5.903 -1.848
114 HA SER 16 HA SER 16 11.896 7.479 -3.246
115 HB2 SER 16 2HB SER 16 12.225 5.620 -5.052
116 HB3 SER 16 3HB SER 16 10.492 5.363 -4.847
117 HG SER 16 HG SER 16 11.575 7.927 -5.332
118 HA PRO 17 HA PRO 17 8.155 6.732 -0.637
119 HB2 PRO 17 2HB PRO 17 8.312 9.113 0.655
120 HB3 PRO 17 3HB PRO 17 9.190 7.674 1.184
121 HG2 PRO 17 2HG PRO 17 10.168 10.009 -0.414
122 HG3 PRO 17 3HG PRO 17 10.963 9.157 0.923
123 HD2 PRO 17 2HD PRO 17 11.594 8.706 -1.671
124 HD3 PRO 17 3HD PRO 17 11.681 7.437 -0.433
125 H LYS 18 HN LYS 18 9.040 8.705 -3.166
126 HA LYS 18 HA LYS 18 6.840 10.539 -3.146
127 HB2 LYS 18 2HB LYS 18 9.009 10.986 -4.291
128 HB3 LYS 18 3HB LYS 18 8.609 9.735 -5.462
129 HG2 LYS 18 2HG LYS 18 8.092 11.828 -6.448
130 HG3 LYS 18 3HG LYS 18 6.561 11.048 -6.040
131 HD2 LYS 18 2HD LYS 18 6.009 12.930 -4.980
132 HD3 LYS 18 3HD LYS 18 7.221 12.504 -3.769
133 HE2 LYS 18 2HE LYS 18 8.715 14.026 -4.536
134 HE3 LYS 18 3HE LYS 18 8.218 13.825 -6.216
135 HZ1 LYS 18 1HZ LYS 18 6.914 15.454 -4.115
136 HZ2 LYS 18 2HZ LYS 18 6.137 15.058 -5.564
137 HZ3 LYS 18 3HZ LYS 18 7.559 15.975 -5.590
138 H THR 19 HN THR 19 7.232 7.273 -4.027
139 HA THR 19 HA THR 19 4.543 7.265 -5.198
140 HB THR 19 HB THR 19 5.092 6.135 -7.112
141 HG1 THR 19 1HG THR 19 6.122 4.359 -6.231
142 HG21 THR 19 1HG2 THR 19 6.251 8.320 -7.155
143 HG22 THR 19 2HG2 THR 19 7.066 7.103 -8.137
144 HG23 THR 19 3HG2 THR 19 7.709 7.534 -6.552
145 H ASN 20 HN ASN 20 5.936 6.446 -2.616
146 HA ASN 20 HA ASN 20 5.088 3.624 -2.603
147 HB2 ASN 20 2HB ASN 20 6.997 4.965 -0.679
148 HB3 ASN 20 3HB ASN 20 6.623 3.247 -0.769
149 HD21 ASN 20 1HD2 ASN 20 9.203 4.074 -0.866
150 HD22 ASN 20 2HD2 ASN 20 9.847 3.834 -2.450
151 H THR 21 HN THR 21 3.607 6.258 -2.129
152 HA THR 21 HA THR 21 2.689 5.804 0.620
153 HB THR 21 HB THR 21 1.959 8.096 -1.209
154 HG1 THR 21 1HG THR 21 3.527 9.231 0.159
155 HG21 THR 21 1HG2 THR 21 1.650 7.637 1.757
156 HG22 THR 21 2HG2 THR 21 0.365 7.833 0.563
157 HG23 THR 21 3HG2 THR 21 1.407 9.197 0.971
158 H CYS 22 HN CYS 22 1.316 4.075 0.462
159 HA CYS 22 HA CYS 22 -0.402 3.286 -1.452
160 HB2 CYS 22 2HB CYS 22 -0.111 2.182 0.760
161 HB3 CYS 22 3HB CYS 22 -1.143 3.414 1.477
162 H ARG 23 HN ARG 23 -2.044 4.127 -2.549
163 HA ARG 23 HA ARG 23 -3.074 6.721 -1.870
164 HB2 ARG 23 2HB ARG 23 -4.495 5.221 -3.953
165 HB3 ARG 23 3HB ARG 23 -3.752 6.814 -4.018
166 HG2 ARG 23 2HG ARG 23 -1.529 5.393 -4.003
167 HG3 ARG 23 3HG ARG 23 -2.603 4.154 -4.655
168 HD2 ARG 23 2HD ARG 23 -2.629 5.132 -6.653
169 HD3 ARG 23 3HD ARG 23 -3.064 6.687 -5.945
170 HE ARG 23 HE ARG 23 -0.920 7.331 -6.331
171 HH11 ARG 23 1HH1 ARG 23 -0.949 3.880 -5.873
172 HH12 ARG 23 2HH1 ARG 23 0.757 3.702 -6.124
173 HH21 ARG 23 1HH2 ARG 23 1.325 7.110 -6.662
174 HH22 ARG 23 2HH2 ARG 23 2.050 5.539 -6.572
175 H GLY 24 HN GLY 24 -3.727 3.823 -0.586
176 HA2 GLY 24 1HA GLY 24 -6.609 4.399 -0.276
177 HA3 GLY 24 2HA GLY 24 -5.920 2.785 -0.203
178 H CYS 25 HN CYS 25 -3.639 4.341 1.332
179 HA CYS 25 HA CYS 25 -5.023 4.358 3.933
180 HB2 CYS 25 2HB CYS 25 -2.316 3.187 3.269
181 HB3 CYS 25 3HB CYS 25 -2.902 3.435 4.911
182 H ASN 26 HN ASN 26 -2.569 5.713 1.862
183 HA ASN 26 HA ASN 26 -1.722 7.850 1.847
184 HB2 ASN 26 2HB ASN 26 -2.748 8.363 4.621
185 HB3 ASN 26 3HB ASN 26 -2.498 9.504 3.303
186 HD21 ASN 26 1HD2 ASN 26 -3.786 7.965 1.291
187 HD22 ASN 26 2HD2 ASN 26 -5.481 7.994 1.622
188 H HIS 27 HN HIS 27 -0.756 5.319 3.384
189 HA HIS 27 HA HIS 27 1.394 6.656 4.889
190 HB2 HIS 27 2HB HIS 27 0.295 3.854 5.192
191 HB3 HIS 27 3HB HIS 27 1.668 4.497 6.088
192 HD1 HIS 27 1HD HIS 27 0.629 7.192 6.984
193 HD2 HIS 27 2HD HIS 27 -1.680 3.737 7.040
194 HE1 HIS 27 1HE HIS 27 -1.175 7.616 8.684
195 H LEU 28 HN LEU 28 3.496 5.453 4.873
196 HA LEU 28 HA LEU 28 4.271 4.963 2.156
197 HB2 LEU 28 2HB LEU 28 5.735 4.930 4.778
198 HB3 LEU 28 3HB LEU 28 6.515 4.461 3.268
199 HG LEU 28 HG LEU 28 5.285 7.166 3.792
200 HD11 LEU 28 1HD1 LEU 28 7.354 7.997 4.354
201 HD12 LEU 28 2HD1 LEU 28 8.220 6.664 3.590
202 HD13 LEU 28 3HD1 LEU 28 7.393 6.413 5.128
203 HD21 LEU 28 1HD2 LEU 28 7.203 7.255 1.756
204 HD22 LEU 28 2HD2 LEU 28 5.454 7.418 1.593
205 HD23 LEU 28 3HD2 LEU 28 6.213 5.835 1.419
206 H VAL 29 HN VAL 29 5.312 3.053 1.372
207 HA VAL 29 HA VAL 29 5.131 0.609 2.897
208 HB VAL 29 HB VAL 29 3.789 0.086 0.400
209 HG11 VAL 29 1HG1 VAL 29 2.460 -0.195 3.044
210 HG12 VAL 29 2HG1 VAL 29 2.531 -1.322 1.688
211 HG13 VAL 29 3HG1 VAL 29 3.929 -1.123 2.747
212 HG21 VAL 29 1HG2 VAL 29 1.698 1.236 0.806
213 HG22 VAL 29 2HG2 VAL 29 2.367 2.002 2.247
214 HG23 VAL 29 3HG2 VAL 29 3.004 2.410 0.653
215 H CYS 30 HN CYS 30 6.963 -0.408 2.459
216 HA CYS 30 HA CYS 30 8.787 0.214 0.505
217 HB2 CYS 30 2HB CYS 30 9.817 -1.965 0.935
218 HB3 CYS 30 3HB CYS 30 9.296 -1.214 2.440
219 H ARG 31 HN ARG 31 9.568 -1.426 -1.223
220 HA ARG 31 HA ARG 31 7.430 -1.676 -3.136
221 HB2 ARG 31 2HB ARG 31 9.236 -2.483 -4.653
222 HB3 ARG 31 3HB ARG 31 9.570 -0.914 -3.931
223 HG2 ARG 31 2HG ARG 31 11.124 -1.868 -2.396
224 HG3 ARG 31 3HG ARG 31 10.667 -3.504 -2.869
225 HD2 ARG 31 2HD ARG 31 11.570 -3.157 -5.084
226 HD3 ARG 31 3HD ARG 31 11.924 -1.472 -4.707
227 HE ARG 31 HE ARG 31 13.212 -3.254 -2.896
228 HH11 ARG 31 1HH1 ARG 31 13.410 -1.898 -6.096
229 HH12 ARG 31 2HH1 ARG 31 15.129 -2.073 -6.205
230 HH21 ARG 31 1HH2 ARG 31 15.477 -3.490 -3.028
231 HH22 ARG 31 2HH2 ARG 31 16.304 -2.980 -4.461
232 H ASP 32 HN ASP 32 7.980 -3.494 -0.614
233 HA ASP 32 HA ASP 32 7.629 -6.056 -2.025
234 HB2 ASP 32 2HB ASP 32 9.618 -5.817 -0.477
235 HB3 ASP 32 3HB ASP 32 8.470 -5.702 0.853
236 H CYS 33 HN CYS 33 6.095 -3.717 -0.122
237 HA CYS 33 HA CYS 33 4.037 -5.608 0.782
238 HB2 CYS 33 2HB CYS 33 4.704 -2.789 1.633
239 HB3 CYS 33 3HB CYS 33 3.242 -3.624 2.151
240 H ARG 34 HN ARG 34 4.642 -3.842 -1.851
241 HA ARG 34 HA ARG 34 1.957 -2.737 -2.177
242 HB2 ARG 34 2HB ARG 34 3.826 -2.581 -4.445
243 HB3 ARG 34 3HB ARG 34 2.839 -1.326 -3.708
244 HG2 ARG 34 2HG ARG 34 4.474 -1.160 -1.871
245 HG3 ARG 34 3HG ARG 34 5.480 -2.356 -2.691
246 HD2 ARG 34 2HD ARG 34 4.658 0.323 -3.811
247 HD3 ARG 34 3HD ARG 34 6.236 -0.063 -3.128
248 HE ARG 34 HE ARG 34 5.794 -1.909 -5.131
249 HH11 ARG 34 1HH1 ARG 34 6.056 1.553 -4.867
250 HH12 ARG 34 2HH1 ARG 34 6.686 1.758 -6.468
251 HH21 ARG 34 1HH2 ARG 34 6.624 -1.651 -7.241
252 HH22 ARG 34 2HH2 ARG 34 7.008 -0.065 -7.817
253 H ILE 35 HN ILE 35 0.424 -3.614 -3.442
254 HA ILE 35 HA ILE 35 1.127 -6.074 -4.903
255 HB ILE 35 HB ILE 35 -1.256 -5.307 -3.303
256 HG12 ILE 35 2HG1 ILE 35 -1.153 -7.850 -2.922
257 HG13 ILE 35 3HG1 ILE 35 0.384 -7.790 -3.780
258 HG21 ILE 35 1HG2 ILE 35 -2.436 -7.258 -4.587
259 HG22 ILE 35 2HG2 ILE 35 -2.504 -5.609 -5.207
260 HG23 ILE 35 3HG2 ILE 35 -1.368 -6.764 -5.901
261 HD11 ILE 35 1HD1 ILE 35 0.097 -7.532 -1.105
262 HD12 ILE 35 2HD1 ILE 35 1.460 -6.905 -2.033
263 HD13 ILE 35 3HD1 ILE 35 0.118 -5.842 -1.611
264 H GLN 36 HN GLN 36 1.364 -5.620 -6.998
265 HA GLN 36 HA GLN 36 0.434 -3.462 -8.412
266 HB2 GLN 36 2HB GLN 36 1.516 -6.084 -9.060
267 HB3 GLN 36 3HB GLN 36 0.379 -5.521 -10.279
268 HG2 GLN 36 2HG GLN 36 2.692 -3.881 -9.283
269 HG3 GLN 36 3HG GLN 36 2.773 -4.936 -10.692
270 HE21 GLN 36 1HE2 GLN 36 1.438 -2.014 -9.366
271 HE22 GLN 36 2HE2 GLN 36 0.900 -1.339 -10.862
272 H GLU 37 HN GLU 37 -1.543 -2.744 -8.805
273 HA GLU 37 HA GLU 37 -3.797 -4.601 -8.705
274 HB2 GLU 37 2HB GLU 37 -3.664 -1.583 -8.728
275 HB3 GLU 37 3HB GLU 37 -5.166 -2.495 -8.741
276 HG2 GLU 37 2HG GLU 37 -3.089 -2.771 -6.589
277 HG3 GLU 37 3HG GLU 37 -4.435 -1.635 -6.505
278 H SER 38 HN SER 38 -5.579 -4.255 -10.300
279 HA SER 38 HA SER 38 -4.428 -4.140 -12.982
280 HB2 SER 38 2HB SER 38 -6.989 -5.258 -11.860
281 HB3 SER 38 3HB SER 38 -6.778 -5.025 -13.595
282 HG SER 38 HG SER 38 -4.632 -6.232 -12.942
283 H ASN 39 HN ASN 39 -5.158 -1.775 -11.220
284 HA ASN 39 HA ASN 39 -7.056 -0.464 -13.049
285 HB2 ASN 39 2HB ASN 39 -7.007 -0.580 -10.239
286 HB3 ASN 39 3HB ASN 39 -6.516 1.059 -10.656
287 HD21 ASN 39 1HD2 ASN 39 -8.609 1.421 -9.490
288 HD22 ASN 39 2HD2 ASN 39 -10.046 1.456 -10.448
289 H GLY 40 HN GLY 40 -3.858 -0.787 -12.628
290 HA2 GLY 40 1HA GLY 40 -2.292 0.453 -13.920
291 HA3 GLY 40 2HA GLY 40 -3.340 1.858 -13.788
292 H THR 41 HN THR 41 -3.446 0.805 -10.785
293 HA THR 41 HA THR 41 -1.000 2.242 -9.978
294 HB THR 41 HB THR 41 -3.163 3.452 -9.513
295 HG1 THR 41 1HG THR 41 -1.340 3.943 -8.275
296 HG21 THR 41 1HG2 THR 41 -3.860 0.918 -8.417
297 HG22 THR 41 2HG2 THR 41 -4.852 2.371 -8.544
298 HG23 THR 41 3HG2 THR 41 -3.858 2.104 -7.112
299 H TRP 42 HN TRP 42 -1.325 1.737 -7.207
300 HA TRP 42 HA TRP 42 -1.301 -1.164 -6.927
301 HB2 TRP 42 2HB TRP 42 0.902 -1.188 -5.863
302 HB3 TRP 42 3HB TRP 42 1.017 -0.580 -7.513
303 HD1 TRP 42 1HD TRP 42 2.100 1.750 -7.839
304 HE1 TRP 42 1HE TRP 42 3.007 3.561 -6.252
305 HE3 TRP 42 3HE TRP 42 0.403 -0.135 -3.400
306 HZ2 TRP 42 2HZ TRP 42 3.005 4.118 -3.485
307 HZ3 TRP 42 3HZ TRP 42 0.899 1.097 -1.329
308 HH2 TRP 42 2HH TRP 42 2.174 3.179 -1.373
309 H ARG 43 HN ARG 43 -1.375 -1.880 -4.716
310 HA ARG 43 HA ARG 43 -1.904 0.170 -2.704
311 HB2 ARG 43 2HB ARG 43 -3.869 -1.917 -3.618
312 HB3 ARG 43 3HB ARG 43 -3.949 -1.231 -2.001
313 HG2 ARG 43 2HG ARG 43 -3.738 0.825 -4.025
314 HG3 ARG 43 3HG ARG 43 -5.131 -0.226 -4.290
315 HD2 ARG 43 2HD ARG 43 -4.784 0.528 -1.498
316 HD3 ARG 43 3HD ARG 43 -5.016 1.915 -2.560
317 HE ARG 43 HE ARG 43 -6.950 -0.140 -1.924
318 HH11 ARG 43 1HH1 ARG 43 -6.055 2.463 -4.055
319 HH12 ARG 43 2HH1 ARG 43 -7.672 2.733 -4.617
320 HH21 ARG 43 1HH2 ARG 43 -9.083 0.204 -2.656
321 HH22 ARG 43 2HH2 ARG 43 -9.393 1.448 -3.820
322 H CYS 44 HN CYS 44 -1.283 -0.399 -0.682
323 HA CYS 44 HA CYS 44 0.591 -2.286 -0.175
324 HB2 CYS 44 2HB CYS 44 0.174 -2.004 2.153
325 HB3 CYS 44 3HB CYS 44 -0.232 -0.470 1.389
326 H LYS 45 HN LYS 45 0.487 -4.280 1.165
327 HA LYS 45 HA LYS 45 -1.131 -6.226 -0.079
328 HB2 LYS 45 2HB LYS 45 0.108 -6.711 2.602
329 HB3 LYS 45 3HB LYS 45 -0.010 -7.790 1.218
330 HG2 LYS 45 2HG LYS 45 1.586 -6.064 0.092
331 HG3 LYS 45 3HG LYS 45 1.948 -5.609 1.759
332 HD2 LYS 45 2HD LYS 45 3.441 -7.272 1.729
333 HD3 LYS 45 3HD LYS 45 2.056 -8.362 1.821
334 HE2 LYS 45 2HE LYS 45 1.991 -8.513 -0.605
335 HE3 LYS 45 3HE LYS 45 3.326 -7.369 -0.730
336 HZ1 LYS 45 1HZ LYS 45 4.076 -9.655 -0.975
337 HZ2 LYS 45 2HZ LYS 45 3.467 -10.044 0.554
338 HZ3 LYS 45 3HZ LYS 45 4.748 -8.949 0.408
339 H VAL 46 HN VAL 46 -1.786 -4.060 2.446
340 HA VAL 46 HA VAL 46 -3.845 -5.724 3.663
341 HB VAL 46 HB VAL 46 -3.217 -2.843 4.299
342 HG11 VAL 46 1HG1 VAL 46 -5.149 -3.191 5.426
343 HG12 VAL 46 2HG1 VAL 46 -4.943 -4.943 5.461
344 HG13 VAL 46 3HG1 VAL 46 -4.058 -3.925 6.599
345 HG21 VAL 46 1HG2 VAL 46 -1.401 -3.416 5.468
346 HG22 VAL 46 2HG2 VAL 46 -2.184 -4.843 6.149
347 HG23 VAL 46 3HG2 VAL 46 -1.435 -4.925 4.554
348 H CYS 47 HN CYS 47 -3.535 -3.382 1.199
349 HA CYS 47 HA CYS 47 -6.381 -2.694 1.291
350 HB2 CYS 47 2HB CYS 47 -3.972 -1.500 -0.006
351 HB3 CYS 47 3HB CYS 47 -5.541 -1.235 -0.761
352 H ALA 48 HN ALA 48 -3.951 -4.072 -0.895
353 HA ALA 48 HA ALA 48 -5.713 -4.598 -3.037
354 HB1 ALA 48 1HB ALA 48 -3.115 -5.949 -2.318
355 HB2 ALA 48 2HB ALA 48 -3.948 -6.085 -3.867
356 HB3 ALA 48 3HB ALA 48 -3.305 -4.528 -3.345
357 H LYS 49 HN LYS 49 -5.132 -6.214 -0.044
358 HA LYS 49 HA LYS 49 -6.493 -8.640 -0.958
359 HB2 LYS 49 2HB LYS 49 -4.809 -7.951 1.419
360 HB3 LYS 49 3HB LYS 49 -5.928 -9.304 1.520
361 HG2 LYS 49 2HG LYS 49 -4.127 -9.200 -0.829
362 HG3 LYS 49 3HG LYS 49 -3.412 -9.588 0.738
363 HD2 LYS 49 2HD LYS 49 -4.213 -11.661 0.643
364 HD3 LYS 49 3HD LYS 49 -5.852 -11.059 0.381
365 HE2 LYS 49 2HE LYS 49 -5.003 -12.556 -1.424
366 HE3 LYS 49 3HE LYS 49 -5.511 -10.963 -1.982
367 HZ1 LYS 49 1HZ LYS 49 -3.350 -11.824 -2.900
368 HZ2 LYS 49 2HZ LYS 49 -2.689 -11.605 -1.359
369 HZ3 LYS 49 3HZ LYS 49 -3.290 -10.277 -2.219
370 H GLU 50 HN GLU 50 -8.261 -6.683 -1.039
371 HA GLU 50 HA GLU 50 -10.279 -7.480 0.751
372 HB2 GLU 50 2HB GLU 50 -9.501 -6.271 2.530
373 HB3 GLU 50 3HB GLU 50 -8.680 -5.096 1.512
374 HG2 GLU 50 2HG GLU 50 -11.659 -5.164 1.570
375 HG3 GLU 50 3HG GLU 50 -10.772 -4.407 2.892
376 H ILE 51 HN ILE 51 -12.232 -6.962 -0.067
377 HA ILE 51 HA ILE 51 -12.488 -4.689 -1.879
378 HB ILE 51 HB ILE 51 -13.830 -6.274 -3.440
379 HG12 ILE 51 2HG1 ILE 51 -11.835 -8.316 -2.536
380 HG13 ILE 51 3HG1 ILE 51 -13.370 -8.177 -1.685
381 HG21 ILE 51 1HG2 ILE 51 -10.816 -6.302 -3.363
382 HG22 ILE 51 2HG2 ILE 51 -11.806 -6.715 -4.762
383 HG23 ILE 51 3HG2 ILE 51 -11.833 -5.074 -4.116
384 HD11 ILE 51 1HD1 ILE 51 -14.488 -8.440 -3.931
385 HD12 ILE 51 2HD1 ILE 51 -12.902 -8.890 -4.560
386 HD13 ILE 51 3HD1 ILE 51 -13.657 -9.861 -3.296
387 H GLU 52 HN GLU 52 -13.517 -5.796 0.802
388 HA GLU 52 HA GLU 52 -16.389 -5.501 0.210
389 HB2 GLU 52 2HB GLU 52 -15.310 -6.759 2.719
390 HB3 GLU 52 3HB GLU 52 -16.915 -6.912 2.017
391 HG2 GLU 52 2HG GLU 52 -14.488 -7.955 0.608
392 HG3 GLU 52 3HG GLU 52 -15.324 -8.901 1.838
393 H LEU 53 HN LEU 53 -15.136 -3.176 0.329
394 HA LEU 53 HA LEU 53 -15.656 -2.161 3.046
395 HB2 LEU 53 2HB LEU 53 -13.273 -2.077 1.891
396 HB3 LEU 53 3HB LEU 53 -13.956 -0.635 1.145
397 HG LEU 53 HG LEU 53 -14.356 -0.645 4.015
398 HD11 LEU 53 1HD1 LEU 53 -11.607 -1.118 2.943
399 HD12 LEU 53 2HD1 LEU 53 -12.384 -1.795 4.374
400 HD13 LEU 53 3HD1 LEU 53 -11.847 -0.115 4.374
401 HD21 LEU 53 1HD2 LEU 53 -14.425 1.234 2.228
402 HD22 LEU 53 2HD2 LEU 53 -12.677 1.282 2.460
403 HD23 LEU 53 3HD2 LEU 53 -13.757 1.581 3.823
Start of MODEL 7
1 H1 SER 1 HN SER 1 7.773 11.366 12.438
2 HA SER 1 HA SER 1 7.750 10.085 10.169
3 HB2 SER 1 2HB SER 1 8.318 13.037 10.448
4 HB3 SER 1 3HB SER 1 7.954 12.282 8.896
5 HG SER 1 HG SER 1 6.193 11.643 10.909
6 H ASP 2 HN ASP 2 9.594 8.696 10.098
7 HA ASP 2 HA ASP 2 12.025 9.977 9.037
8 HB2 ASP 2 2HB ASP 2 11.912 7.185 10.160
9 HB3 ASP 2 3HB ASP 2 13.320 8.219 9.929
10 H ARG 3 HN ARG 3 9.333 8.454 8.024
11 HA ARG 3 HA ARG 3 8.765 7.644 5.958
12 HB2 ARG 3 2HB ARG 3 11.661 7.393 5.203
13 HB3 ARG 3 3HB ARG 3 10.269 7.680 4.165
14 HG2 ARG 3 2HG ARG 3 10.492 9.827 6.029
15 HG3 ARG 3 3HG ARG 3 12.055 9.565 5.254
16 HD2 ARG 3 2HD ARG 3 11.289 10.157 3.199
17 HD3 ARG 3 3HD ARG 3 9.670 9.530 3.504
18 HE ARG 3 HE ARG 3 10.184 11.822 5.092
19 HH11 ARG 3 1HH1 ARG 3 9.422 10.827 1.844
20 HH12 ARG 3 2HH1 ARG 3 8.641 12.318 1.432
21 HH21 ARG 3 1HH2 ARG 3 9.158 13.789 4.562
22 HH22 ARG 3 2HH2 ARG 3 8.492 14.002 2.978
23 H THR 4 HN THR 4 8.419 5.889 7.712
24 HA THR 4 HA THR 4 9.995 3.497 7.019
25 HB THR 4 HB THR 4 8.277 3.234 9.365
26 HG1 THR 4 1HG THR 4 10.424 4.715 10.128
27 HG21 THR 4 1HG2 THR 4 10.240 2.240 10.318
28 HG22 THR 4 2HG2 THR 4 11.268 2.958 9.077
29 HG23 THR 4 3HG2 THR 4 10.116 1.694 8.646
30 H CYS 5 HN CYS 5 8.918 1.534 6.634
31 HA CYS 5 HA CYS 5 6.576 1.689 5.123
32 HB2 CYS 5 2HB CYS 5 8.296 -0.143 5.033
33 HB3 CYS 5 3HB CYS 5 7.613 -0.779 6.526
34 H ALA 6 HN ALA 6 4.439 1.225 5.533
35 HA ALA 6 HA ALA 6 3.607 1.521 8.298
36 HB1 ALA 6 1HB ALA 6 1.284 1.339 6.969
37 HB2 ALA 6 2HB ALA 6 2.208 2.836 7.107
38 HB3 ALA 6 3HB ALA 6 2.341 1.848 5.651
39 H ARG 7 HN ARG 7 4.660 -1.039 6.750
40 HA ARG 7 HA ARG 7 2.728 -2.841 8.041
41 HB2 ARG 7 2HB ARG 7 4.069 -3.835 5.594
42 HB3 ARG 7 3HB ARG 7 2.447 -4.147 6.196
43 HG2 ARG 7 2HG ARG 7 3.316 -1.573 4.900
44 HG3 ARG 7 3HG ARG 7 2.501 -2.896 4.063
45 HD2 ARG 7 2HD ARG 7 0.495 -2.404 4.966
46 HD3 ARG 7 3HD ARG 7 1.191 -1.973 6.528
47 HE ARG 7 HE ARG 7 1.945 0.095 5.006
48 HH11 ARG 7 1HH1 ARG 7 -1.133 -1.485 5.400
49 HH12 ARG 7 2HH1 ARG 7 -2.056 -0.054 5.080
50 HH21 ARG 7 1HH2 ARG 7 0.741 1.985 4.583
51 HH22 ARG 7 2HH2 ARG 7 -0.988 1.919 4.615
52 H CYS 8 HN CYS 8 6.010 -2.222 6.980
53 HA CYS 8 HA CYS 8 6.954 -4.516 8.559
54 HB2 CYS 8 2HB CYS 8 8.470 -2.882 6.514
55 HB3 CYS 8 3HB CYS 8 9.040 -4.343 7.314
56 H GLN 9 HN GLN 9 6.977 -1.062 8.329
57 HA GLN 9 HA GLN 9 7.701 0.559 9.751
58 HB2 GLN 9 2HB GLN 9 7.554 -1.839 11.442
59 HB3 GLN 9 3HB GLN 9 8.659 -0.605 12.034
60 HG2 GLN 9 2HG GLN 9 7.003 0.764 12.634
61 HG3 GLN 9 3HG GLN 9 6.073 0.440 11.172
62 HE21 GLN 9 1HE2 GLN 9 4.941 -1.662 11.104
63 HE22 GLN 9 2HE2 GLN 9 4.256 -2.262 12.572
64 H GLU 10 HN GLU 10 9.505 -0.814 7.876
65 HA GLU 10 HA GLU 10 12.081 -0.424 9.241
66 HB2 GLU 10 2HB GLU 10 11.138 -2.313 7.224
67 HB3 GLU 10 3HB GLU 10 12.643 -1.527 6.766
68 HG2 GLU 10 2HG GLU 10 13.466 -2.169 9.103
69 HG3 GLU 10 3HG GLU 10 12.081 -3.257 9.143
70 H SER 11 HN SER 11 13.616 0.955 8.408
71 HA SER 11 HA SER 11 12.826 3.298 7.209
72 HB2 SER 11 2HB SER 11 14.977 3.032 8.371
73 HB3 SER 11 3HB SER 11 15.568 2.019 7.053
74 HG SER 11 HG SER 11 16.290 3.957 6.473
75 H LEU 12 HN LEU 12 12.575 4.046 5.171
76 HA LEU 12 HA LEU 12 12.384 2.105 3.050
77 HB2 LEU 12 2HB LEU 12 11.798 5.040 3.267
78 HB3 LEU 12 3HB LEU 12 11.745 4.203 1.717
79 HG LEU 12 HG LEU 12 9.600 4.567 3.298
80 HD11 LEU 12 1HD1 LEU 12 10.330 2.875 1.080
81 HD12 LEU 12 2HD1 LEU 12 8.816 3.717 1.403
82 HD13 LEU 12 3HD1 LEU 12 9.095 2.114 2.083
83 HD21 LEU 12 1HD2 LEU 12 10.650 1.829 4.007
84 HD22 LEU 12 2HD2 LEU 12 9.066 2.479 4.431
85 HD23 LEU 12 3HD2 LEU 12 10.527 3.201 5.107
86 H GLY 13 HN GLY 13 14.504 4.771 3.927
87 HA2 GLY 13 1HA GLY 13 16.558 5.406 3.124
88 HA3 GLY 13 2HA GLY 13 16.698 3.772 2.493
89 H ARG 14 HN ARG 14 16.759 3.524 0.355
90 HA ARG 14 HA ARG 14 16.054 5.846 -1.306
91 HB2 ARG 14 2HB ARG 14 18.433 4.866 -1.290
92 HB3 ARG 14 3HB ARG 14 17.748 3.521 -2.192
93 HG2 ARG 14 2HG ARG 14 16.906 5.935 -3.428
94 HG3 ARG 14 3HG ARG 14 18.648 6.019 -3.161
95 HD2 ARG 14 2HD ARG 14 18.498 3.528 -4.096
96 HD3 ARG 14 3HD ARG 14 17.068 4.195 -4.882
97 HE ARG 14 HE ARG 14 19.223 5.945 -5.280
98 HH11 ARG 14 1HH1 ARG 14 18.136 2.777 -6.230
99 HH12 ARG 14 2HH1 ARG 14 18.958 2.809 -7.754
100 HH21 ARG 14 1HH2 ARG 14 20.311 5.999 -7.285
101 HH22 ARG 14 2HH2 ARG 14 20.196 4.641 -8.353
102 H LEU 15 HN LEU 15 13.826 4.690 -0.720
103 HA LEU 15 HA LEU 15 13.233 2.696 -2.796
104 HB2 LEU 15 2HB LEU 15 12.444 2.981 -0.072
105 HB3 LEU 15 3HB LEU 15 11.009 3.096 -1.088
106 HG LEU 15 HG LEU 15 12.942 0.826 -1.405
107 HD11 LEU 15 1HD1 LEU 15 12.357 0.860 0.952
108 HD12 LEU 15 2HD1 LEU 15 11.554 -0.481 0.136
109 HD13 LEU 15 3HD1 LEU 15 10.645 0.975 0.543
110 HD21 LEU 15 1HD2 LEU 15 9.965 0.909 -1.821
111 HD22 LEU 15 2HD2 LEU 15 11.122 -0.279 -2.420
112 HD23 LEU 15 3HD2 LEU 15 11.116 1.357 -3.080
113 H SER 16 HN SER 16 12.669 5.943 -1.823
114 HA SER 16 HA SER 16 11.750 7.663 -3.045
115 HB2 SER 16 2HB SER 16 12.086 5.967 -5.031
116 HB3 SER 16 3HB SER 16 10.338 5.777 -4.895
117 HG SER 16 HG SER 16 10.539 8.282 -4.879
118 HA PRO 17 HA PRO 17 7.980 6.659 -0.580
119 HB2 PRO 17 2HB PRO 17 8.097 8.919 0.920
120 HB3 PRO 17 3HB PRO 17 8.985 7.448 1.331
121 HG2 PRO 17 2HG PRO 17 9.955 9.923 -0.046
122 HG3 PRO 17 3HG PRO 17 10.744 8.965 1.221
123 HD2 PRO 17 2HD PRO 17 11.409 8.751 -1.395
124 HD3 PRO 17 3HD PRO 17 11.496 7.379 -0.272
125 H LYS 18 HN LYS 18 8.901 8.923 -2.870
126 HA LYS 18 HA LYS 18 6.688 10.716 -2.728
127 HB2 LYS 18 2HB LYS 18 9.081 10.639 -4.113
128 HB3 LYS 18 3HB LYS 18 7.881 10.397 -5.376
129 HG2 LYS 18 2HG LYS 18 8.231 12.737 -3.541
130 HG3 LYS 18 3HG LYS 18 8.192 12.702 -5.305
131 HD2 LYS 18 2HD LYS 18 5.765 11.839 -4.982
132 HD3 LYS 18 3HD LYS 18 5.927 12.507 -3.356
133 HE2 LYS 18 2HE LYS 18 6.888 14.407 -5.267
134 HE3 LYS 18 3HE LYS 18 5.279 13.863 -5.743
135 HZ1 LYS 18 1HZ LYS 18 5.375 14.360 -2.957
136 HZ2 LYS 18 2HZ LYS 18 4.382 15.063 -4.130
137 HZ3 LYS 18 3HZ LYS 18 5.905 15.725 -3.804
138 H THR 19 HN THR 19 7.265 7.636 -4.258
139 HA THR 19 HA THR 19 4.519 7.706 -5.326
140 HB THR 19 HB THR 19 5.116 6.746 -7.306
141 HG1 THR 19 1HG THR 19 7.326 5.575 -7.319
142 HG21 THR 19 1HG2 THR 19 7.090 7.762 -8.198
143 HG22 THR 19 2HG2 THR 19 7.805 7.913 -6.592
144 HG23 THR 19 3HG2 THR 19 6.399 8.884 -7.028
145 H ASN 20 HN ASN 20 6.210 6.518 -2.898
146 HA ASN 20 HA ASN 20 5.089 3.804 -3.064
147 HB2 ASN 20 2HB ASN 20 7.450 4.955 -1.619
148 HB3 ASN 20 3HB ASN 20 6.678 3.496 -1.004
149 HD21 ASN 20 1HD2 ASN 20 9.337 4.053 -2.259
150 HD22 ASN 20 2HD2 ASN 20 9.467 2.897 -3.535
151 H THR 21 HN THR 21 3.562 6.198 -2.395
152 HA THR 21 HA THR 21 2.922 5.671 0.431
153 HB THR 21 HB THR 21 2.078 8.076 -1.189
154 HG1 THR 21 1HG THR 21 3.891 8.674 0.678
155 HG21 THR 21 1HG2 THR 21 0.643 8.054 0.605
156 HG22 THR 21 2HG2 THR 21 2.000 8.938 1.305
157 HG23 THR 21 3HG2 THR 21 1.793 7.222 1.651
158 H CYS 22 HN CYS 22 1.483 4.009 0.334
159 HA CYS 22 HA CYS 22 -0.351 3.269 -1.466
160 HB2 CYS 22 2HB CYS 22 -0.007 2.201 0.761
161 HB3 CYS 22 3HB CYS 22 -0.982 3.476 1.486
162 H ARG 23 HN ARG 23 -2.023 4.130 -2.501
163 HA ARG 23 HA ARG 23 -2.928 6.776 -1.848
164 HB2 ARG 23 2HB ARG 23 -4.497 5.272 -3.820
165 HB3 ARG 23 3HB ARG 23 -3.710 6.838 -3.963
166 HG2 ARG 23 2HG ARG 23 -1.544 5.274 -3.974
167 HG3 ARG 23 3HG ARG 23 -2.719 4.143 -4.650
168 HD2 ARG 23 2HD ARG 23 -2.663 5.179 -6.616
169 HD3 ARG 23 3HD ARG 23 -3.028 6.728 -5.859
170 HE ARG 23 HE ARG 23 -0.381 6.357 -5.356
171 HH11 ARG 23 1HH1 ARG 23 -2.339 6.359 -8.235
172 HH12 ARG 23 2HH1 ARG 23 -1.065 6.934 -9.258
173 HH21 ARG 23 1HH2 ARG 23 1.305 7.115 -6.694
174 HH22 ARG 23 2HH2 ARG 23 1.008 7.362 -8.381
175 H GLY 24 HN GLY 24 -3.684 3.822 -0.608
176 HA2 GLY 24 1HA GLY 24 -6.506 4.544 -0.135
177 HA3 GLY 24 2HA GLY 24 -5.860 2.913 -0.040
178 H CYS 25 HN CYS 25 -3.477 4.447 1.358
179 HA CYS 25 HA CYS 25 -4.757 4.599 4.007
180 HB2 CYS 25 2HB CYS 25 -2.129 3.284 3.295
181 HB3 CYS 25 3HB CYS 25 -2.657 3.601 4.944
182 H ASN 26 HN ASN 26 -2.237 5.709 1.846
183 HA ASN 26 HA ASN 26 -1.263 7.785 1.716
184 HB2 ASN 26 2HB ASN 26 -3.396 8.305 3.386
185 HB3 ASN 26 3HB ASN 26 -2.013 8.790 4.362
186 HD21 ASN 26 1HD2 ASN 26 -3.658 9.278 1.306
187 HD22 ASN 26 2HD2 ASN 26 -3.028 10.859 1.005
188 H HIS 27 HN HIS 27 -0.302 5.325 3.164
189 HA HIS 27 HA HIS 27 1.819 6.623 4.747
190 HB2 HIS 27 2HB HIS 27 0.716 3.827 5.095
191 HB3 HIS 27 3HB HIS 27 1.995 4.563 6.059
192 HD1 HIS 27 1HD HIS 27 0.873 7.191 6.880
193 HD2 HIS 27 2HD HIS 27 -1.467 3.763 6.676
194 HE1 HIS 27 1HE HIS 27 -1.088 7.625 8.392
195 H LEU 28 HN LEU 28 3.890 5.385 4.776
196 HA LEU 28 HA LEU 28 4.685 4.801 2.089
197 HB2 LEU 28 2HB LEU 28 6.148 4.658 4.717
198 HB3 LEU 28 3HB LEU 28 6.902 4.320 3.160
199 HG LEU 28 HG LEU 28 5.904 6.942 4.230
200 HD11 LEU 28 1HD1 LEU 28 8.117 7.672 3.916
201 HD12 LEU 28 2HD1 LEU 28 8.524 6.274 2.920
202 HD13 LEU 28 3HD1 LEU 28 8.250 6.075 4.650
203 HD21 LEU 28 1HD2 LEU 28 6.394 6.135 1.381
204 HD22 LEU 28 2HD2 LEU 28 6.573 7.806 1.919
205 HD23 LEU 28 3HD2 LEU 28 5.013 6.994 2.066
206 H VAL 29 HN VAL 29 5.346 2.861 1.209
207 HA VAL 29 HA VAL 29 5.189 0.436 2.814
208 HB VAL 29 HB VAL 29 3.787 -0.035 0.337
209 HG11 VAL 29 1HG1 VAL 29 3.921 -1.249 2.686
210 HG12 VAL 29 2HG1 VAL 29 2.486 -0.271 2.997
211 HG13 VAL 29 3HG1 VAL 29 2.508 -1.400 1.642
212 HG21 VAL 29 1HG2 VAL 29 2.437 1.895 2.220
213 HG22 VAL 29 2HG2 VAL 29 3.127 2.344 0.660
214 HG23 VAL 29 3HG2 VAL 29 1.774 1.216 0.733
215 H CYS 30 HN CYS 30 7.030 -0.574 2.388
216 HA CYS 30 HA CYS 30 8.815 -0.083 0.375
217 HB2 CYS 30 2HB CYS 30 9.802 -2.264 0.853
218 HB3 CYS 30 3HB CYS 30 9.305 -1.477 2.348
219 H ARG 31 HN ARG 31 9.513 -1.816 -1.310
220 HA ARG 31 HA ARG 31 7.340 -2.037 -3.184
221 HB2 ARG 31 2HB ARG 31 8.977 -2.652 -4.785
222 HB3 ARG 31 3HB ARG 31 9.725 -1.423 -3.773
223 HG2 ARG 31 2HG ARG 31 11.116 -2.959 -2.720
224 HG3 ARG 31 3HG ARG 31 10.116 -4.333 -3.198
225 HD2 ARG 31 2HD ARG 31 10.811 -4.121 -5.483
226 HD3 ARG 31 3HD ARG 31 11.654 -2.612 -5.135
227 HE ARG 31 HE ARG 31 13.411 -3.818 -4.258
228 HH11 ARG 31 1HH1 ARG 31 10.696 -5.918 -4.843
229 HH12 ARG 31 2HH1 ARG 31 11.601 -7.374 -4.593
230 HH21 ARG 31 1HH2 ARG 31 14.613 -5.729 -3.925
231 HH22 ARG 31 2HH2 ARG 31 13.829 -7.265 -4.070
232 H ASP 32 HN ASP 32 7.950 -3.820 -0.613
233 HA ASP 32 HA ASP 32 7.416 -6.395 -1.938
234 HB2 ASP 32 2HB ASP 32 9.444 -5.968 -0.290
235 HB3 ASP 32 3HB ASP 32 8.210 -6.243 0.937
236 H CYS 33 HN CYS 33 6.010 -3.932 -0.137
237 HA CYS 33 HA CYS 33 3.932 -5.712 0.939
238 HB2 CYS 33 2HB CYS 33 4.805 -2.924 1.678
239 HB3 CYS 33 3HB CYS 33 3.258 -3.579 2.206
240 H ARG 34 HN ARG 34 4.481 -4.178 -1.809
241 HA ARG 34 HA ARG 34 1.825 -2.971 -2.082
242 HB2 ARG 34 2HB ARG 34 3.602 -2.901 -4.414
243 HB3 ARG 34 3HB ARG 34 2.705 -1.601 -3.641
244 HG2 ARG 34 2HG ARG 34 4.432 -1.440 -1.915
245 HG3 ARG 34 3HG ARG 34 5.335 -2.733 -2.707
246 HD2 ARG 34 2HD ARG 34 4.593 -0.125 -4.025
247 HD3 ARG 34 3HD ARG 34 6.142 -0.432 -3.239
248 HE ARG 34 HE ARG 34 6.763 -1.761 -5.020
249 HH11 ARG 34 1HH1 ARG 34 3.396 -0.911 -5.270
250 HH12 ARG 34 2HH1 ARG 34 3.239 -1.482 -6.899
251 HH21 ARG 34 1HH2 ARG 34 6.569 -2.514 -7.165
252 HH22 ARG 34 2HH2 ARG 34 5.044 -2.395 -7.975
253 H ILE 35 HN ILE 35 0.318 -3.685 -3.553
254 HA ILE 35 HA ILE 35 0.917 -6.252 -4.874
255 HB ILE 35 HB ILE 35 -1.526 -5.380 -3.373
256 HG12 ILE 35 2HG1 ILE 35 -1.306 -7.808 -2.596
257 HG13 ILE 35 3HG1 ILE 35 0.253 -7.814 -3.411
258 HG21 ILE 35 1HG2 ILE 35 -1.434 -6.988 -5.831
259 HG22 ILE 35 2HG2 ILE 35 -2.342 -7.702 -4.498
260 HG23 ILE 35 3HG2 ILE 35 -2.773 -6.102 -5.101
261 HD11 ILE 35 1HD1 ILE 35 1.219 -6.456 -1.867
262 HD12 ILE 35 2HD1 ILE 35 -0.294 -5.640 -1.473
263 HD13 ILE 35 3HD1 ILE 35 0.023 -7.260 -0.850
264 H GLN 36 HN GLN 36 1.203 -5.720 -6.959
265 HA GLN 36 HA GLN 36 0.303 -3.616 -8.405
266 HB2 GLN 36 2HB GLN 36 0.915 -6.438 -9.135
267 HB3 GLN 36 3HB GLN 36 0.167 -5.415 -10.354
268 HG2 GLN 36 2HG GLN 36 2.507 -4.309 -8.924
269 HG3 GLN 36 3HG GLN 36 2.801 -5.628 -10.056
270 HE21 GLN 36 1HE2 GLN 36 0.300 -3.182 -10.323
271 HE22 GLN 36 2HE2 GLN 36 0.921 -2.432 -11.751
272 H GLU 37 HN GLU 37 -1.654 -2.781 -8.653
273 HA GLU 37 HA GLU 37 -3.996 -4.524 -8.530
274 HB2 GLU 37 2HB GLU 37 -3.664 -1.529 -8.393
275 HB3 GLU 37 3HB GLU 37 -5.237 -2.309 -8.487
276 HG2 GLU 37 2HG GLU 37 -3.527 -3.396 -6.392
277 HG3 GLU 37 3HG GLU 37 -3.895 -1.685 -6.189
278 H SER 38 HN SER 38 -5.550 -4.626 -10.143
279 HA SER 38 HA SER 38 -4.563 -4.234 -12.812
280 HB2 SER 38 2HB SER 38 -6.050 -6.160 -11.959
281 HB3 SER 38 3HB SER 38 -7.386 -5.018 -12.113
282 HG SER 38 HG SER 38 -5.622 -5.397 -14.266
283 H ASN 39 HN ASN 39 -4.336 -1.951 -12.903
284 HA ASN 39 HA ASN 39 -6.477 -0.599 -14.090
285 HB2 ASN 39 2HB ASN 39 -7.104 1.016 -12.404
286 HB3 ASN 39 3HB ASN 39 -7.356 -0.601 -11.755
287 HD21 ASN 39 1HD2 ASN 39 -6.619 -0.949 -9.795
288 HD22 ASN 39 2HD2 ASN 39 -5.369 -0.057 -9.003
289 H GLY 40 HN GLY 40 -3.451 -0.436 -12.332
290 HA2 GLY 40 1HA GLY 40 -1.660 0.542 -13.856
291 HA3 GLY 40 2HA GLY 40 -2.706 1.954 -13.893
292 H THR 41 HN THR 41 -3.101 0.776 -10.893
293 HA THR 41 HA THR 41 -0.875 2.378 -9.812
294 HB THR 41 HB THR 41 -3.160 3.385 -9.507
295 HG1 THR 41 1HG THR 41 -1.194 3.433 -7.949
296 HG21 THR 41 1HG2 THR 41 -3.677 0.739 -8.455
297 HG22 THR 41 2HG2 THR 41 -4.812 2.022 -8.876
298 HG23 THR 41 3HG2 THR 41 -4.074 1.988 -7.276
299 H TRP 42 HN TRP 42 -1.545 1.695 -7.085
300 HA TRP 42 HA TRP 42 -1.366 -1.168 -6.838
301 HB2 TRP 42 2HB TRP 42 0.842 -1.191 -5.758
302 HB3 TRP 42 3HB TRP 42 0.950 -0.636 -7.427
303 HD1 TRP 42 1HD TRP 42 1.943 1.739 -7.844
304 HE1 TRP 42 1HE TRP 42 2.923 3.563 -6.316
305 HE3 TRP 42 3HE TRP 42 0.524 -0.150 -3.310
306 HZ2 TRP 42 2HZ TRP 42 3.075 4.128 -3.555
307 HZ3 TRP 42 3HZ TRP 42 1.125 1.094 -1.274
308 HH2 TRP 42 2HH TRP 42 2.375 3.188 -1.396
309 H ARG 43 HN ARG 43 -1.454 -1.888 -4.634
310 HA ARG 43 HA ARG 43 -1.963 0.169 -2.620
311 HB2 ARG 43 2HB ARG 43 -3.919 -1.956 -3.476
312 HB3 ARG 43 3HB ARG 43 -4.005 -1.192 -1.895
313 HG2 ARG 43 2HG ARG 43 -3.800 0.774 -3.998
314 HG3 ARG 43 3HG ARG 43 -5.173 -0.304 -4.249
315 HD2 ARG 43 2HD ARG 43 -4.808 0.655 -1.492
316 HD3 ARG 43 3HD ARG 43 -5.223 1.897 -2.673
317 HE ARG 43 HE ARG 43 -6.926 -0.198 -1.690
318 HH11 ARG 43 1HH1 ARG 43 -6.318 1.995 -4.324
319 HH12 ARG 43 2HH1 ARG 43 -7.956 1.982 -4.885
320 HH21 ARG 43 1HH2 ARG 43 -9.086 -0.224 -2.418
321 HH22 ARG 43 2HH2 ARG 43 -9.532 0.720 -3.800
322 H CYS 44 HN CYS 44 -1.384 -0.407 -0.576
323 HA CYS 44 HA CYS 44 0.499 -2.342 -0.116
324 HB2 CYS 44 2HB CYS 44 0.230 -1.936 2.204
325 HB3 CYS 44 3HB CYS 44 -0.192 -0.423 1.407
326 H LYS 45 HN LYS 45 0.400 -4.310 1.207
327 HA LYS 45 HA LYS 45 -1.359 -6.209 0.143
328 HB2 LYS 45 2HB LYS 45 -0.114 -6.700 2.806
329 HB3 LYS 45 3HB LYS 45 -0.229 -7.763 1.410
330 HG2 LYS 45 2HG LYS 45 1.410 -6.058 0.322
331 HG3 LYS 45 3HG LYS 45 1.753 -5.615 1.996
332 HD2 LYS 45 2HD LYS 45 3.211 -7.307 2.005
333 HD3 LYS 45 3HD LYS 45 1.809 -8.381 2.023
334 HE2 LYS 45 2HE LYS 45 1.825 -8.379 -0.447
335 HE3 LYS 45 3HE LYS 45 3.280 -7.384 -0.415
336 HZ1 LYS 45 1HZ LYS 45 2.985 -10.213 0.003
337 HZ2 LYS 45 2HZ LYS 45 3.928 -9.462 1.190
338 HZ3 LYS 45 3HZ LYS 45 4.354 -9.324 -0.442
339 H VAL 46 HN VAL 46 -1.753 -3.992 2.726
340 HA VAL 46 HA VAL 46 -3.850 -5.485 4.048
341 HB VAL 46 HB VAL 46 -3.363 -2.571 4.531
342 HG11 VAL 46 1HG1 VAL 46 -4.253 -2.964 6.610
343 HG12 VAL 46 2HG1 VAL 46 -5.128 -4.158 5.651
344 HG13 VAL 46 3HG1 VAL 46 -3.747 -4.652 6.630
345 HG21 VAL 46 1HG2 VAL 46 -1.568 -3.195 6.130
346 HG22 VAL 46 2HG2 VAL 46 -1.591 -4.827 5.462
347 HG23 VAL 46 3HG2 VAL 46 -1.131 -3.464 4.443
348 H CYS 47 HN CYS 47 -3.577 -3.225 1.479
349 HA CYS 47 HA CYS 47 -6.408 -2.502 1.619
350 HB2 CYS 47 2HB CYS 47 -4.042 -1.449 0.114
351 HB3 CYS 47 3HB CYS 47 -5.663 -1.137 -0.499
352 H ALA 48 HN ALA 48 -4.088 -3.972 -0.635
353 HA ALA 48 HA ALA 48 -5.995 -4.619 -2.622
354 HB1 ALA 48 1HB ALA 48 -4.190 -6.247 -3.379
355 HB2 ALA 48 2HB ALA 48 -3.756 -4.538 -3.323
356 HB3 ALA 48 3HB ALA 48 -3.225 -5.624 -2.039
357 H LYS 49 HN LYS 49 -5.332 -5.977 0.424
358 HA LYS 49 HA LYS 49 -6.737 -8.462 -0.308
359 HB2 LYS 49 2HB LYS 49 -4.426 -8.750 0.574
360 HB3 LYS 49 3HB LYS 49 -4.934 -7.981 2.072
361 HG2 LYS 49 2HG LYS 49 -5.513 -9.974 2.836
362 HG3 LYS 49 3HG LYS 49 -6.776 -10.039 1.604
363 HD2 LYS 49 2HD LYS 49 -5.435 -11.254 0.127
364 HD3 LYS 49 3HD LYS 49 -3.948 -10.810 0.967
365 HE2 LYS 49 2HE LYS 49 -5.911 -12.285 2.586
366 HE3 LYS 49 3HE LYS 49 -5.223 -13.191 1.240
367 HZ1 LYS 49 1HZ LYS 49 -4.073 -12.762 3.701
368 HZ2 LYS 49 2HZ LYS 49 -3.209 -11.764 2.646
369 HZ3 LYS 49 3HZ LYS 49 -3.325 -13.422 2.335
370 H GLU 50 HN GLU 50 -6.337 -6.162 2.388
371 HA GLU 50 HA GLU 50 -7.794 -5.386 3.953
372 HB2 GLU 50 2HB GLU 50 -9.723 -6.181 1.780
373 HB3 GLU 50 3HB GLU 50 -10.269 -5.473 3.292
374 HG2 GLU 50 2HG GLU 50 -8.124 -3.953 2.060
375 HG3 GLU 50 3HG GLU 50 -9.540 -4.107 1.022
376 H ILE 51 HN ILE 51 -7.087 -7.088 5.364
377 HA ILE 51 HA ILE 51 -9.067 -9.240 5.718
378 HB ILE 51 HB ILE 51 -6.767 -10.018 5.237
379 HG12 ILE 51 2HG1 ILE 51 -7.156 -10.788 8.075
380 HG13 ILE 51 3HG1 ILE 51 -8.531 -11.034 7.004
381 HG21 ILE 51 1HG2 ILE 51 -5.777 -8.002 6.522
382 HG22 ILE 51 2HG2 ILE 51 -5.931 -9.042 7.938
383 HG23 ILE 51 3HG2 ILE 51 -4.934 -9.550 6.574
384 HD11 ILE 51 1HD1 ILE 51 -6.251 -12.024 5.674
385 HD12 ILE 51 2HD1 ILE 51 -6.209 -12.635 7.329
386 HD13 ILE 51 3HD1 ILE 51 -7.624 -12.923 6.317
387 H GLU 52 HN GLU 52 -8.371 -6.303 6.886
388 HA GLU 52 HA GLU 52 -9.180 -7.032 9.623
389 HB2 GLU 52 2HB GLU 52 -6.933 -5.439 8.711
390 HB3 GLU 52 3HB GLU 52 -7.974 -4.524 9.793
391 HG2 GLU 52 2HG GLU 52 -7.826 -6.615 11.308
392 HG3 GLU 52 3HG GLU 52 -6.415 -7.013 10.330
393 H LEU 53 HN LEU 53 -9.898 -5.326 6.799
394 HA LEU 53 HA LEU 53 -11.925 -3.726 8.219
395 HB2 LEU 53 2HB LEU 53 -10.645 -3.085 5.567
396 HB3 LEU 53 3HB LEU 53 -11.799 -2.087 6.449
397 HG LEU 53 HG LEU 53 -9.772 -1.034 6.842
398 HD11 LEU 53 1HD1 LEU 53 -11.098 -1.870 8.930
399 HD12 LEU 53 2HD1 LEU 53 -9.519 -1.110 9.125
400 HD13 LEU 53 3HD1 LEU 53 -9.666 -2.866 9.194
401 HD21 LEU 53 1HD2 LEU 53 -8.448 -3.672 7.439
402 HD22 LEU 53 2HD2 LEU 53 -7.680 -2.097 7.233
403 HD23 LEU 53 3HD2 LEU 53 -8.422 -2.905 5.852
Start of MODEL 8
1 H1 SER 1 HN SER 1 9.200 9.077 11.787
2 HA SER 1 HA SER 1 7.819 10.735 9.883
3 HB2 SER 1 2HB SER 1 7.550 12.172 11.801
4 HB3 SER 1 3HB SER 1 9.249 11.989 12.236
5 HG SER 1 HG SER 1 9.831 13.212 10.507
6 H ASP 2 HN ASP 2 9.923 8.650 10.034
7 HA ASP 2 HA ASP 2 12.148 10.151 8.816
8 HB2 ASP 2 2HB ASP 2 12.104 8.037 10.779
9 HB3 ASP 2 3HB ASP 2 13.011 7.528 9.358
10 H ARG 3 HN ARG 3 9.505 8.441 8.000
11 HA ARG 3 HA ARG 3 8.845 7.699 5.924
12 HB2 ARG 3 2HB ARG 3 11.699 7.449 5.030
13 HB3 ARG 3 3HB ARG 3 10.260 7.758 4.067
14 HG2 ARG 3 2HG ARG 3 10.636 9.872 5.966
15 HG3 ARG 3 3HG ARG 3 12.112 9.620 5.031
16 HD2 ARG 3 2HD ARG 3 11.172 10.338 3.112
17 HD3 ARG 3 3HD ARG 3 9.618 9.587 3.474
18 HE ARG 3 HE ARG 3 8.923 11.550 4.464
19 HH11 ARG 3 1HH1 ARG 3 12.335 11.700 3.784
20 HH12 ARG 3 2HH1 ARG 3 12.458 13.396 4.112
21 HH21 ARG 3 1HH2 ARG 3 9.073 13.784 4.899
22 HH22 ARG 3 2HH2 ARG 3 10.603 14.581 4.747
23 H THR 4 HN THR 4 8.639 5.951 7.743
24 HA THR 4 HA THR 4 10.150 3.557 6.925
25 HB THR 4 HB THR 4 8.669 3.181 9.374
26 HG1 THR 4 1HG THR 4 10.683 5.165 9.580
27 HG21 THR 4 1HG2 THR 4 10.479 1.745 8.845
28 HG22 THR 4 2HG2 THR 4 11.018 2.721 10.213
29 HG23 THR 4 3HG2 THR 4 11.574 3.102 8.584
30 H CYS 5 HN CYS 5 9.083 1.724 6.322
31 HA CYS 5 HA CYS 5 6.653 1.821 5.083
32 HB2 CYS 5 2HB CYS 5 8.311 -0.048 4.936
33 HB3 CYS 5 3HB CYS 5 7.737 -0.621 6.499
34 H ALA 6 HN ALA 6 4.529 1.286 5.595
35 HA ALA 6 HA ALA 6 3.846 1.653 8.411
36 HB1 ALA 6 1HB ALA 6 1.876 2.546 7.732
37 HB2 ALA 6 2HB ALA 6 2.801 2.832 6.257
38 HB3 ALA 6 3HB ALA 6 1.719 1.443 6.365
39 H ARG 7 HN ARG 7 4.713 -0.914 6.795
40 HA ARG 7 HA ARG 7 2.712 -2.645 8.080
41 HB2 ARG 7 2HB ARG 7 4.033 -3.327 5.457
42 HB3 ARG 7 3HB ARG 7 2.672 -4.131 6.225
43 HG2 ARG 7 2HG ARG 7 2.575 -1.300 5.215
44 HG3 ARG 7 3HG ARG 7 2.095 -2.703 4.258
45 HD2 ARG 7 2HD ARG 7 0.088 -2.671 5.201
46 HD3 ARG 7 3HD ARG 7 0.821 -2.879 6.791
47 HE ARG 7 HE ARG 7 0.569 -0.620 7.182
48 HH11 ARG 7 1HH1 ARG 7 -0.142 -1.346 3.852
49 HH12 ARG 7 2HH1 ARG 7 -0.821 0.214 3.521
50 HH21 ARG 7 1HH2 ARG 7 -0.323 1.436 6.759
51 HH22 ARG 7 2HH2 ARG 7 -0.922 1.796 5.175
52 H CYS 8 HN CYS 8 6.018 -2.183 6.995
53 HA CYS 8 HA CYS 8 6.853 -4.520 8.573
54 HB2 CYS 8 2HB CYS 8 8.469 -2.990 6.526
55 HB3 CYS 8 3HB CYS 8 8.902 -4.517 7.288
56 H GLN 9 HN GLN 9 7.137 -1.070 8.259
57 HA GLN 9 HA GLN 9 7.893 0.506 9.727
58 HB2 GLN 9 2HB GLN 9 7.513 -1.793 11.357
59 HB3 GLN 9 3HB GLN 9 9.039 -1.055 11.826
60 HG2 GLN 9 2HG GLN 9 6.724 0.752 11.487
61 HG3 GLN 9 3HG GLN 9 6.699 -0.341 12.870
62 HE21 GLN 9 1HE2 GLN 9 9.039 1.746 11.200
63 HE22 GLN 9 2HE2 GLN 9 9.688 2.454 12.636
64 H GLU 10 HN GLU 10 9.539 -0.740 7.684
65 HA GLU 10 HA GLU 10 12.215 -0.541 8.884
66 HB2 GLU 10 2HB GLU 10 11.091 -2.029 6.586
67 HB3 GLU 10 3HB GLU 10 12.707 -1.377 6.365
68 HG2 GLU 10 2HG GLU 10 12.047 -2.953 8.812
69 HG3 GLU 10 3HG GLU 10 12.404 -3.771 7.293
70 H SER 11 HN SER 11 13.880 0.593 7.636
71 HA SER 11 HA SER 11 13.047 3.202 6.936
72 HB2 SER 11 2HB SER 11 15.214 3.119 7.794
73 HB3 SER 11 3HB SER 11 15.657 1.723 6.811
74 HG SER 11 HG SER 11 16.276 3.028 5.290
75 H LEU 12 HN LEU 12 12.752 4.187 4.994
76 HA LEU 12 HA LEU 12 12.404 2.438 2.695
77 HB2 LEU 12 2HB LEU 12 11.616 5.262 3.321
78 HB3 LEU 12 3HB LEU 12 11.519 4.630 1.679
79 HG LEU 12 HG LEU 12 9.445 4.619 3.338
80 HD11 LEU 12 1HD1 LEU 12 8.474 3.527 1.656
81 HD12 LEU 12 2HD1 LEU 12 9.499 2.108 1.874
82 HD13 LEU 12 3HD1 LEU 12 10.073 3.471 0.913
83 HD21 LEU 12 1HD2 LEU 12 10.716 1.929 3.829
84 HD22 LEU 12 2HD2 LEU 12 9.156 2.493 4.429
85 HD23 LEU 12 3HD2 LEU 12 10.646 3.238 5.011
86 H GLY 13 HN GLY 13 15.080 3.388 3.777
87 HA2 GLY 13 1HA GLY 13 16.402 5.244 2.327
88 HA3 GLY 13 2HA GLY 13 17.122 3.693 2.732
89 H ARG 14 HN ARG 14 17.319 5.491 0.328
90 HA ARG 14 HA ARG 14 17.110 5.393 -1.974
91 HB2 ARG 14 2HB ARG 14 18.407 2.855 -1.040
92 HB3 ARG 14 3HB ARG 14 18.154 3.133 -2.757
93 HG2 ARG 14 2HG ARG 14 20.020 4.315 -2.823
94 HG3 ARG 14 3HG ARG 14 19.309 5.481 -1.704
95 HD2 ARG 14 2HD ARG 14 21.453 4.593 -0.888
96 HD3 ARG 14 3HD ARG 14 20.113 4.202 0.189
97 HE ARG 14 HE ARG 14 20.470 1.984 -0.234
98 HH11 ARG 14 1HH1 ARG 14 22.093 3.879 -2.662
99 HH12 ARG 14 2HH1 ARG 14 22.906 2.520 -3.367
100 HH21 ARG 14 1HH2 ARG 14 21.535 0.186 -1.153
101 HH22 ARG 14 2HH2 ARG 14 22.586 0.420 -2.508
102 H LEU 15 HN LEU 15 14.610 5.116 -1.217
103 HA LEU 15 HA LEU 15 13.591 2.957 -2.925
104 HB2 LEU 15 2HB LEU 15 13.433 2.562 -0.365
105 HB3 LEU 15 3HB LEU 15 12.134 3.750 -0.435
106 HG LEU 15 HG LEU 15 10.810 2.334 -1.825
107 HD11 LEU 15 1HD1 LEU 15 11.873 -0.056 -2.224
108 HD12 LEU 15 2HD1 LEU 15 13.370 0.876 -2.192
109 HD13 LEU 15 3HD1 LEU 15 12.111 1.271 -3.362
110 HD21 LEU 15 1HD2 LEU 15 11.858 1.417 0.718
111 HD22 LEU 15 2HD2 LEU 15 11.282 0.084 -0.284
112 HD23 LEU 15 3HD2 LEU 15 10.201 1.421 0.113
113 H SER 16 HN SER 16 13.092 6.099 -1.433
114 HA SER 16 HA SER 16 12.113 7.975 -2.339
115 HB2 SER 16 2HB SER 16 12.463 6.549 -4.589
116 HB3 SER 16 3HB SER 16 10.702 6.517 -4.510
117 HG SER 16 HG SER 16 10.941 8.893 -4.181
118 HA PRO 17 HA PRO 17 8.374 6.418 -0.132
119 HB2 PRO 17 2HB PRO 17 8.385 8.397 1.726
120 HB3 PRO 17 3HB PRO 17 9.335 6.916 1.894
121 HG2 PRO 17 2HG PRO 17 10.202 9.626 0.965
122 HG3 PRO 17 3HG PRO 17 11.026 8.504 2.063
123 HD2 PRO 17 2HD PRO 17 11.712 8.761 -0.544
124 HD3 PRO 17 3HD PRO 17 11.854 7.224 0.333
125 H LYS 18 HN LYS 18 9.131 8.911 -2.143
126 HA LYS 18 HA LYS 18 6.891 10.643 -1.687
127 HB2 LYS 18 2HB LYS 18 8.804 11.629 -2.698
128 HB3 LYS 18 3HB LYS 18 8.883 10.382 -3.935
129 HG2 LYS 18 2HG LYS 18 7.229 11.322 -5.190
130 HG3 LYS 18 3HG LYS 18 6.436 12.059 -3.795
131 HD2 LYS 18 2HD LYS 18 8.238 13.706 -3.640
132 HD3 LYS 18 3HD LYS 18 9.043 12.962 -5.023
133 HE2 LYS 18 2HE LYS 18 7.927 14.692 -6.043
134 HE3 LYS 18 3HE LYS 18 6.747 13.393 -6.203
135 HZ1 LYS 18 1HZ LYS 18 6.521 14.918 -3.764
136 HZ2 LYS 18 2HZ LYS 18 5.319 14.420 -4.844
137 HZ3 LYS 18 3HZ LYS 18 6.221 15.814 -5.167
138 H THR 19 HN THR 19 7.663 8.087 -4.020
139 HA THR 19 HA THR 19 4.861 8.143 -4.923
140 HB THR 19 HB THR 19 5.495 7.457 -7.010
141 HG1 THR 19 1HG THR 19 7.894 6.447 -6.953
142 HG21 THR 19 1HG2 THR 19 6.779 9.571 -6.276
143 HG22 THR 19 2HG2 THR 19 7.287 8.757 -7.756
144 HG23 THR 19 3HG2 THR 19 8.198 8.525 -6.264
145 H ASN 20 HN ASN 20 5.947 6.835 -2.481
146 HA ASN 20 HA ASN 20 5.173 4.064 -3.123
147 HB2 ASN 20 2HB ASN 20 7.239 5.120 -1.206
148 HB3 ASN 20 3HB ASN 20 6.531 3.521 -0.991
149 HD21 ASN 20 1HD2 ASN 20 9.278 4.417 -1.655
150 HD22 ASN 20 2HD2 ASN 20 9.692 3.566 -3.101
151 H THR 21 HN THR 21 3.742 6.605 -2.108
152 HA THR 21 HA THR 21 2.732 5.656 0.460
153 HB THR 21 HB THR 21 2.046 8.172 -1.072
154 HG1 THR 21 1HG THR 21 3.584 9.132 0.111
155 HG21 THR 21 1HG2 THR 21 1.090 8.921 1.082
156 HG22 THR 21 2HG2 THR 21 1.380 7.313 1.746
157 HG23 THR 21 3HG2 THR 21 0.242 7.527 0.416
158 H CYS 22 HN CYS 22 1.282 4.058 0.267
159 HA CYS 22 HA CYS 22 -0.306 3.363 -1.831
160 HB2 CYS 22 2HB CYS 22 -0.087 2.045 0.245
161 HB3 CYS 22 3HB CYS 22 -1.099 3.216 1.085
162 H ARG 23 HN ARG 23 -2.042 4.149 -2.847
163 HA ARG 23 HA ARG 23 -3.107 6.701 -2.031
164 HB2 ARG 23 2HB ARG 23 -4.495 5.354 -4.223
165 HB3 ARG 23 3HB ARG 23 -3.709 6.927 -4.185
166 HG2 ARG 23 2HG ARG 23 -1.515 5.537 -4.278
167 HG3 ARG 23 3HG ARG 23 -2.573 4.260 -4.883
168 HD2 ARG 23 2HD ARG 23 -2.331 5.169 -6.901
169 HD3 ARG 23 3HD ARG 23 -3.330 6.502 -6.321
170 HE ARG 23 HE ARG 23 -1.483 7.816 -6.474
171 HH11 ARG 23 1HH1 ARG 23 -0.441 4.536 -5.949
172 HH12 ARG 23 2HH1 ARG 23 1.246 4.921 -6.024
173 HH21 ARG 23 1HH2 ARG 23 0.735 8.336 -6.575
174 HH22 ARG 23 2HH2 ARG 23 1.914 7.084 -6.379
175 H GLY 24 HN GLY 24 -3.647 3.958 -0.652
176 HA2 GLY 24 1HA GLY 24 -6.592 4.157 -0.647
177 HA3 GLY 24 2HA GLY 24 -5.688 2.710 -0.226
178 H CYS 25 HN CYS 25 -3.796 3.740 1.502
179 HA CYS 25 HA CYS 25 -5.494 4.574 3.755
180 HB2 CYS 25 2HB CYS 25 -3.452 3.688 5.098
181 HB3 CYS 25 3HB CYS 25 -4.561 2.530 4.371
182 H ASN 26 HN ASN 26 -2.748 5.417 1.833
183 HA ASN 26 HA ASN 26 -1.712 7.463 1.647
184 HB2 ASN 26 2HB ASN 26 -3.894 8.200 3.046
185 HB3 ASN 26 3HB ASN 26 -2.655 8.493 4.264
186 HD21 ASN 26 1HD2 ASN 26 -3.753 9.313 1.045
187 HD22 ASN 26 2HD2 ASN 26 -2.911 10.817 0.934
188 H HIS 27 HN HIS 27 -0.794 5.058 3.084
189 HA HIS 27 HA HIS 27 1.203 6.322 4.846
190 HB2 HIS 27 2HB HIS 27 0.242 3.457 4.967
191 HB3 HIS 27 3HB HIS 27 1.341 4.250 6.092
192 HD1 HIS 27 1HD HIS 27 -0.237 6.836 6.623
193 HD2 HIS 27 2HD HIS 27 -1.931 3.042 6.552
194 HE1 HIS 27 1HE HIS 27 -2.341 7.013 7.989
195 H LEU 28 HN LEU 28 3.321 5.231 4.894
196 HA LEU 28 HA LEU 28 4.266 4.776 2.234
197 HB2 LEU 28 2HB LEU 28 5.588 4.657 4.933
198 HB3 LEU 28 3HB LEU 28 6.450 4.323 3.432
199 HG LEU 28 HG LEU 28 5.213 6.937 4.287
200 HD11 LEU 28 1HD1 LEU 28 7.395 6.330 5.287
201 HD12 LEU 28 2HD1 LEU 28 7.471 7.759 4.257
202 HD13 LEU 28 3HD1 LEU 28 8.071 6.211 3.662
203 HD21 LEU 28 1HD2 LEU 28 6.648 7.449 2.019
204 HD22 LEU 28 2HD2 LEU 28 4.893 7.291 2.100
205 HD23 LEU 28 3HD2 LEU 28 5.883 5.907 1.633
206 H VAL 29 HN VAL 29 5.140 2.902 1.352
207 HA VAL 29 HA VAL 29 5.025 0.419 2.849
208 HB VAL 29 HB VAL 29 3.740 -0.105 0.342
209 HG11 VAL 29 1HG1 VAL 29 2.300 -1.380 1.642
210 HG12 VAL 29 2HG1 VAL 29 3.781 -1.358 2.601
211 HG13 VAL 29 3HG1 VAL 29 2.436 -0.301 3.030
212 HG21 VAL 29 1HG2 VAL 29 2.349 1.930 2.080
213 HG22 VAL 29 2HG2 VAL 29 2.936 2.189 0.438
214 HG23 VAL 29 3HG2 VAL 29 1.613 1.061 0.733
215 H CYS 30 HN CYS 30 6.868 -0.580 2.415
216 HA CYS 30 HA CYS 30 8.729 0.103 0.522
217 HB2 CYS 30 2HB CYS 30 9.711 -2.142 0.865
218 HB3 CYS 30 3HB CYS 30 9.257 -1.371 2.382
219 H ARG 31 HN ARG 31 9.546 -1.640 -1.177
220 HA ARG 31 HA ARG 31 7.462 -1.755 -3.178
221 HB2 ARG 31 2HB ARG 31 9.223 -2.380 -4.716
222 HB3 ARG 31 3HB ARG 31 9.761 -1.022 -3.738
223 HG2 ARG 31 2HG ARG 31 11.592 -2.181 -3.287
224 HG3 ARG 31 3HG ARG 31 10.589 -3.278 -2.338
225 HD2 ARG 31 2HD ARG 31 11.437 -4.818 -3.757
226 HD3 ARG 31 3HD ARG 31 10.125 -4.257 -4.791
227 HE ARG 31 HE ARG 31 12.202 -2.611 -5.408
228 HH11 ARG 31 1HH1 ARG 31 11.769 -6.064 -5.324
229 HH12 ARG 31 2HH1 ARG 31 12.906 -6.369 -6.596
230 HH21 ARG 31 1HH2 ARG 31 13.701 -2.999 -7.083
231 HH22 ARG 31 2HH2 ARG 31 14.005 -4.625 -7.595
232 H ASP 32 HN ASP 32 7.649 -3.583 -0.717
233 HA ASP 32 HA ASP 32 7.282 -6.103 -2.199
234 HB2 ASP 32 2HB ASP 32 9.371 -5.947 -0.707
235 HB3 ASP 32 3HB ASP 32 8.251 -5.998 0.651
236 H CYS 33 HN CYS 33 5.946 -3.773 -0.169
237 HA CYS 33 HA CYS 33 3.925 -5.602 0.908
238 HB2 CYS 33 2HB CYS 33 4.740 -2.786 1.579
239 HB3 CYS 33 3HB CYS 33 3.196 -3.435 2.123
240 H ARG 34 HN ARG 34 4.384 -3.886 -1.826
241 HA ARG 34 HA ARG 34 1.659 -2.873 -2.066
242 HB2 ARG 34 2HB ARG 34 3.406 -2.756 -4.429
243 HB3 ARG 34 3HB ARG 34 2.436 -1.496 -3.680
244 HG2 ARG 34 2HG ARG 34 4.187 -1.331 -1.898
245 HG3 ARG 34 3HG ARG 34 5.177 -2.421 -2.869
246 HD2 ARG 34 2HD ARG 34 4.498 0.419 -3.292
247 HD3 ARG 34 3HD ARG 34 5.964 -0.470 -3.703
248 HE ARG 34 HE ARG 34 3.674 -0.031 -5.382
249 HH11 ARG 34 1HH1 ARG 34 6.412 -2.088 -4.757
250 HH12 ARG 34 2HH1 ARG 34 6.498 -2.687 -6.380
251 HH21 ARG 34 1HH2 ARG 34 3.776 -0.812 -7.523
252 HH22 ARG 34 2HH2 ARG 34 4.998 -1.961 -7.953
253 H ILE 35 HN ILE 35 0.115 -3.732 -3.376
254 HA ILE 35 HA ILE 35 0.749 -6.332 -4.598
255 HB ILE 35 HB ILE 35 -1.681 -5.260 -3.260
256 HG12 ILE 35 2HG1 ILE 35 -1.775 -7.719 -2.575
257 HG13 ILE 35 3HG1 ILE 35 -0.212 -7.893 -3.366
258 HG21 ILE 35 1HG2 ILE 35 -1.702 -6.968 -5.700
259 HG22 ILE 35 2HG2 ILE 35 -2.881 -7.279 -4.427
260 HG23 ILE 35 3HG2 ILE 35 -2.818 -5.697 -5.203
261 HD11 ILE 35 1HD1 ILE 35 0.880 -6.664 -1.774
262 HD12 ILE 35 2HD1 ILE 35 -0.570 -5.769 -1.313
263 HD13 ILE 35 3HD1 ILE 35 -0.369 -7.446 -0.805
264 H GLN 36 HN GLN 36 1.264 -5.948 -6.677
265 HA GLN 36 HA GLN 36 0.542 -3.933 -8.346
266 HB2 GLN 36 2HB GLN 36 1.555 -6.616 -8.668
267 HB3 GLN 36 3HB GLN 36 0.468 -6.209 -9.989
268 HG2 GLN 36 2HG GLN 36 3.006 -4.841 -9.171
269 HG3 GLN 36 3HG GLN 36 2.605 -5.589 -10.715
270 HE21 GLN 36 1HE2 GLN 36 -0.108 -4.370 -10.600
271 HE22 GLN 36 2HE2 GLN 36 0.123 -2.724 -11.067
272 H GLU 37 HN GLU 37 -1.462 -3.122 -8.499
273 HA GLU 37 HA GLU 37 -3.781 -4.846 -8.590
274 HB2 GLU 37 2HB GLU 37 -3.438 -1.850 -8.708
275 HB3 GLU 37 3HB GLU 37 -5.002 -2.638 -8.856
276 HG2 GLU 37 2HG GLU 37 -3.241 -3.193 -6.507
277 HG3 GLU 37 3HG GLU 37 -4.248 -1.746 -6.559
278 H SER 38 HN SER 38 -5.519 -3.990 -10.299
279 HA SER 38 HA SER 38 -4.207 -4.221 -12.924
280 HB2 SER 38 2HB SER 38 -6.937 -5.119 -11.987
281 HB3 SER 38 3HB SER 38 -6.455 -5.103 -13.683
282 HG SER 38 HG SER 38 -4.948 -6.647 -13.277
283 H ASN 39 HN ASN 39 -5.279 -1.883 -11.070
284 HA ASN 39 HA ASN 39 -6.946 -0.521 -13.049
285 HB2 ASN 39 2HB ASN 39 -7.578 -0.552 -10.609
286 HB3 ASN 39 3HB ASN 39 -6.165 0.452 -10.296
287 HD21 ASN 39 1HD2 ASN 39 -6.306 2.587 -10.581
288 HD22 ASN 39 2HD2 ASN 39 -7.684 3.409 -11.224
289 H GLY 40 HN GLY 40 -3.774 -0.948 -12.660
290 HA2 GLY 40 1HA GLY 40 -2.167 0.206 -13.973
291 HA3 GLY 40 2HA GLY 40 -3.163 1.650 -13.873
292 H THR 41 HN THR 41 -3.247 0.594 -10.842
293 HA THR 41 HA THR 41 -0.762 1.985 -10.080
294 HB THR 41 HB THR 41 -2.846 3.309 -9.630
295 HG1 THR 41 1HG THR 41 -1.105 3.809 -8.359
296 HG21 THR 41 1HG2 THR 41 -4.492 1.779 -9.024
297 HG22 THR 41 2HG2 THR 41 -4.042 2.499 -7.478
298 HG23 THR 41 3HG2 THR 41 -3.419 0.912 -7.927
299 H TRP 42 HN TRP 42 -1.138 1.556 -7.285
300 HA TRP 42 HA TRP 42 -1.147 -1.351 -6.985
301 HB2 TRP 42 2HB TRP 42 0.991 -1.303 -5.748
302 HB3 TRP 42 3HB TRP 42 1.187 -0.806 -7.426
303 HD1 TRP 42 1HD TRP 42 2.042 1.637 -7.884
304 HE1 TRP 42 1HE TRP 42 2.946 3.507 -6.365
305 HE3 TRP 42 3HE TRP 42 0.676 -0.274 -3.344
306 HZ2 TRP 42 2HZ TRP 42 3.065 4.095 -3.608
307 HZ3 TRP 42 3HZ TRP 42 1.223 1.006 -1.313
308 HH2 TRP 42 2HH TRP 42 2.392 3.144 -1.445
309 H ARG 43 HN ARG 43 -1.450 -2.072 -4.828
310 HA ARG 43 HA ARG 43 -2.101 -0.011 -2.848
311 HB2 ARG 43 2HB ARG 43 -3.941 -2.150 -3.882
312 HB3 ARG 43 3HB ARG 43 -4.132 -1.507 -2.256
313 HG2 ARG 43 2HG ARG 43 -3.881 0.639 -4.144
314 HG3 ARG 43 3HG ARG 43 -5.162 -0.470 -4.637
315 HD2 ARG 43 2HD ARG 43 -4.973 0.469 -1.802
316 HD3 ARG 43 3HD ARG 43 -5.717 1.493 -3.032
317 HE ARG 43 HE ARG 43 -6.769 -1.166 -3.032
318 HH11 ARG 43 1HH1 ARG 43 -6.958 1.946 -1.483
319 HH12 ARG 43 2HH1 ARG 43 -8.592 1.728 -0.950
320 HH21 ARG 43 1HH2 ARG 43 -8.922 -1.466 -2.336
321 HH22 ARG 43 2HH2 ARG 43 -9.707 -0.213 -1.435
322 H CYS 44 HN CYS 44 -1.455 -0.501 -0.834
323 HA CYS 44 HA CYS 44 0.364 -2.454 -0.256
324 HB2 CYS 44 2HB CYS 44 -0.017 -2.008 2.076
325 HB3 CYS 44 3HB CYS 44 -0.218 -0.498 1.194
326 H LYS 45 HN LYS 45 0.105 -4.276 1.363
327 HA LYS 45 HA LYS 45 -1.712 -6.190 0.286
328 HB2 LYS 45 2HB LYS 45 -0.386 -6.732 2.885
329 HB3 LYS 45 3HB LYS 45 -0.523 -7.751 1.458
330 HG2 LYS 45 2HG LYS 45 1.127 -6.090 0.383
331 HG3 LYS 45 3HG LYS 45 1.454 -5.582 2.042
332 HD2 LYS 45 2HD LYS 45 3.039 -7.214 1.813
333 HD3 LYS 45 3HD LYS 45 1.695 -8.187 2.417
334 HE2 LYS 45 2HE LYS 45 1.097 -8.636 0.008
335 HE3 LYS 45 3HE LYS 45 2.634 -7.891 -0.429
336 HZ1 LYS 45 1HZ LYS 45 3.416 -9.961 -0.224
337 HZ2 LYS 45 2HZ LYS 45 2.104 -10.494 0.699
338 HZ3 LYS 45 3HZ LYS 45 3.381 -9.669 1.441
339 H VAL 46 HN VAL 46 -2.151 -3.746 2.487
340 HA VAL 46 HA VAL 46 -4.154 -5.191 4.061
341 HB VAL 46 HB VAL 46 -3.293 -2.324 4.426
342 HG11 VAL 46 1HG1 VAL 46 -5.115 -4.164 5.797
343 HG12 VAL 46 2HG1 VAL 46 -4.003 -3.304 6.865
344 HG13 VAL 46 3HG1 VAL 46 -5.073 -2.402 5.790
345 HG21 VAL 46 1HG2 VAL 46 -1.715 -3.054 6.080
346 HG22 VAL 46 2HG2 VAL 46 -2.204 -4.737 5.873
347 HG23 VAL 46 3HG2 VAL 46 -1.364 -3.895 4.570
348 H CYS 47 HN CYS 47 -3.869 -3.054 1.411
349 HA CYS 47 HA CYS 47 -6.671 -2.210 1.635
350 HB2 CYS 47 2HB CYS 47 -4.329 -1.197 0.045
351 HB3 CYS 47 3HB CYS 47 -5.975 -0.771 -0.406
352 H ALA 48 HN ALA 48 -4.437 -3.991 -0.409
353 HA ALA 48 HA ALA 48 -6.292 -4.434 -2.534
354 HB1 ALA 48 1HB ALA 48 -3.796 -5.991 -1.870
355 HB2 ALA 48 2HB ALA 48 -4.649 -5.966 -3.414
356 HB3 ALA 48 3HB ALA 48 -3.840 -4.513 -2.831
357 H LYS 49 HN LYS 49 -5.451 -6.119 0.418
358 HA LYS 49 HA LYS 49 -6.735 -8.573 -0.206
359 HB2 LYS 49 2HB LYS 49 -5.426 -7.360 2.104
360 HB3 LYS 49 3HB LYS 49 -6.797 -8.364 2.554
361 HG2 LYS 49 2HG LYS 49 -5.819 -10.290 1.785
362 HG3 LYS 49 3HG LYS 49 -4.795 -9.436 0.628
363 HD2 LYS 49 2HD LYS 49 -3.189 -8.986 2.176
364 HD3 LYS 49 3HD LYS 49 -4.347 -8.866 3.502
365 HE2 LYS 49 2HE LYS 49 -4.340 -11.127 3.891
366 HE3 LYS 49 3HE LYS 49 -3.911 -11.521 2.228
367 HZ1 LYS 49 1HZ LYS 49 -1.769 -10.112 3.213
368 HZ2 LYS 49 2HZ LYS 49 -1.847 -11.782 2.957
369 HZ3 LYS 49 3HZ LYS 49 -2.215 -11.142 4.479
370 H GLU 50 HN GLU 50 -7.827 -5.528 1.096
371 HA GLU 50 HA GLU 50 -9.950 -4.704 1.324
372 HB2 GLU 50 2HB GLU 50 -10.325 -6.855 -0.403
373 HB3 GLU 50 3HB GLU 50 -11.482 -7.134 0.891
374 HG2 GLU 50 2HG GLU 50 -12.142 -4.672 0.535
375 HG3 GLU 50 3HG GLU 50 -11.299 -4.831 -1.005
376 H ILE 51 HN ILE 51 -10.847 -4.319 3.239
377 HA ILE 51 HA ILE 51 -10.285 -5.587 5.570
378 HB ILE 51 HB ILE 51 -12.697 -4.743 6.276
379 HG12 ILE 51 2HG1 ILE 51 -12.835 -4.319 3.554
380 HG13 ILE 51 3HG1 ILE 51 -13.859 -3.551 4.763
381 HG21 ILE 51 1HG2 ILE 51 -10.395 -2.950 5.517
382 HG22 ILE 51 2HG2 ILE 51 -11.732 -2.486 6.568
383 HG23 ILE 51 3HG2 ILE 51 -10.631 -3.773 7.059
384 HD11 ILE 51 1HD1 ILE 51 -12.356 -1.647 4.847
385 HD12 ILE 51 2HD1 ILE 51 -11.294 -2.422 3.671
386 HD13 ILE 51 3HD1 ILE 51 -12.922 -1.935 3.202
387 H GLU 52 HN GLU 52 -13.598 -5.878 4.328
388 HA GLU 52 HA GLU 52 -13.508 -8.768 4.493
389 HB2 GLU 52 2HB GLU 52 -14.033 -7.692 6.830
390 HB3 GLU 52 3HB GLU 52 -15.630 -7.443 6.138
391 HG2 GLU 52 2HG GLU 52 -14.964 -10.098 5.567
392 HG3 GLU 52 3HG GLU 52 -14.468 -9.823 7.236
393 H LEU 53 HN LEU 53 -15.426 -5.844 4.017
394 HA LEU 53 HA LEU 53 -16.730 -7.124 1.740
395 HB2 LEU 53 2HB LEU 53 -18.295 -7.473 3.532
396 HB3 LEU 53 3HB LEU 53 -18.186 -5.779 4.009
397 HG LEU 53 HG LEU 53 -19.053 -6.034 1.263
398 HD11 LEU 53 1HD1 LEU 53 -20.999 -7.253 1.440
399 HD12 LEU 53 2HD1 LEU 53 -21.044 -7.130 3.199
400 HD13 LEU 53 3HD1 LEU 53 -19.888 -8.211 2.421
401 HD21 LEU 53 1HD2 LEU 53 -19.490 -4.001 2.250
402 HD22 LEU 53 2HD2 LEU 53 -19.957 -4.724 3.789
403 HD23 LEU 53 3HD2 LEU 53 -21.053 -4.805 2.409
Start of MODEL 9
1 H1 SER 1 HN SER 1 8.505 8.941 11.769
2 HA SER 1 HA SER 1 8.005 11.253 10.011
3 HB2 SER 1 2HB SER 1 8.438 11.115 12.832
4 HB3 SER 1 3HB SER 1 9.804 11.958 12.102
5 HG SER 1 HG SER 1 7.975 13.312 12.663
6 H ASP 2 HN ASP 2 9.886 8.610 10.270
7 HA ASP 2 HA ASP 2 12.282 9.961 9.217
8 HB2 ASP 2 2HB ASP 2 11.960 7.303 10.610
9 HB3 ASP 2 3HB ASP 2 13.438 7.777 9.778
10 H ARG 3 HN ARG 3 9.594 8.333 8.240
11 HA ARG 3 HA ARG 3 9.008 7.654 6.121
12 HB2 ARG 3 2HB ARG 3 11.891 7.430 5.322
13 HB3 ARG 3 3HB ARG 3 10.488 7.767 4.318
14 HG2 ARG 3 2HG ARG 3 10.721 9.839 6.248
15 HG3 ARG 3 3HG ARG 3 12.296 9.594 5.491
16 HD2 ARG 3 2HD ARG 3 11.589 10.332 3.479
17 HD3 ARG 3 3HD ARG 3 9.994 9.602 3.656
18 HE ARG 3 HE ARG 3 9.218 11.569 4.558
19 HH11 ARG 3 1HH1 ARG 3 12.692 11.655 4.360
20 HH12 ARG 3 2HH1 ARG 3 12.802 13.342 4.741
21 HH21 ARG 3 1HH2 ARG 3 9.350 13.790 5.060
22 HH22 ARG 3 2HH2 ARG 3 10.900 14.555 5.139
23 H THR 4 HN THR 4 8.558 5.812 7.656
24 HA THR 4 HA THR 4 10.131 3.449 6.857
25 HB THR 4 HB THR 4 8.628 3.030 9.297
26 HG1 THR 4 1HG THR 4 10.170 4.421 10.524
27 HG21 THR 4 1HG2 THR 4 10.871 2.324 10.109
28 HG22 THR 4 2HG2 THR 4 11.559 2.892 8.588
29 HG23 THR 4 3HG2 THR 4 10.405 1.559 8.590
30 H CYS 5 HN CYS 5 9.020 1.582 6.326
31 HA CYS 5 HA CYS 5 6.640 1.742 4.995
32 HB2 CYS 5 2HB CYS 5 8.282 -0.195 5.034
33 HB3 CYS 5 3HB CYS 5 7.484 -0.728 6.510
34 H ALA 6 HN ALA 6 4.484 1.101 5.454
35 HA ALA 6 HA ALA 6 3.725 1.601 8.245
36 HB1 ALA 6 1HB ALA 6 2.611 3.133 6.892
37 HB2 ALA 6 2HB ALA 6 2.284 1.936 5.639
38 HB3 ALA 6 3HB ALA 6 1.405 1.875 7.166
39 H ARG 7 HN ARG 7 4.458 -0.993 6.530
40 HA ARG 7 HA ARG 7 2.316 -2.626 7.725
41 HB2 ARG 7 2HB ARG 7 3.827 -3.422 5.246
42 HB3 ARG 7 3HB ARG 7 2.327 -4.093 5.874
43 HG2 ARG 7 2HG ARG 7 2.734 -1.420 4.559
44 HG3 ARG 7 3HG ARG 7 1.791 -2.789 3.965
45 HD2 ARG 7 2HD ARG 7 1.129 -0.771 6.028
46 HD3 ARG 7 3HD ARG 7 0.095 -1.543 4.827
47 HE ARG 7 HE ARG 7 0.599 -3.579 6.474
48 HH11 ARG 7 1HH1 ARG 7 -0.350 -0.293 7.121
49 HH12 ARG 7 2HH1 ARG 7 -1.205 -0.688 8.576
50 HH21 ARG 7 1HH2 ARG 7 -0.524 -4.113 8.387
51 HH22 ARG 7 2HH2 ARG 7 -1.302 -2.861 9.294
52 H CYS 8 HN CYS 8 5.721 -2.391 6.855
53 HA CYS 8 HA CYS 8 6.287 -4.603 8.720
54 HB2 CYS 8 2HB CYS 8 8.330 -5.033 7.432
55 HB3 CYS 8 3HB CYS 8 6.901 -5.157 6.411
56 H GLN 9 HN GLN 9 6.621 -1.298 8.128
57 HA GLN 9 HA GLN 9 7.731 0.387 9.179
58 HB2 GLN 9 2HB GLN 9 7.674 -1.785 11.215
59 HB3 GLN 9 3HB GLN 9 8.723 -0.407 11.520
60 HG2 GLN 9 2HG GLN 9 6.634 -0.005 12.585
61 HG3 GLN 9 3HG GLN 9 6.764 1.083 11.205
62 HE21 GLN 9 1HE2 GLN 9 5.190 1.086 9.740
63 HE22 GLN 9 2HE2 GLN 9 3.888 -0.048 9.671
64 H GLU 10 HN GLU 10 9.217 -0.424 7.233
65 HA GLU 10 HA GLU 10 11.905 -0.883 8.351
66 HB2 GLU 10 2HB GLU 10 10.555 -1.920 5.920
67 HB3 GLU 10 3HB GLU 10 12.261 -1.521 5.770
68 HG2 GLU 10 2HG GLU 10 11.217 -3.295 7.951
69 HG3 GLU 10 3HG GLU 10 11.682 -3.913 6.367
70 H SER 11 HN SER 11 13.674 0.215 7.325
71 HA SER 11 HA SER 11 13.217 2.944 6.903
72 HB2 SER 11 2HB SER 11 15.375 2.179 7.668
73 HB3 SER 11 3HB SER 11 15.609 1.228 6.202
74 HG SER 11 HG SER 11 16.695 3.307 6.234
75 H LEU 12 HN LEU 12 12.825 4.156 5.143
76 HA LEU 12 HA LEU 12 12.335 2.757 2.630
77 HB2 LEU 12 2HB LEU 12 11.527 5.399 3.766
78 HB3 LEU 12 3HB LEU 12 11.457 5.135 2.024
79 HG LEU 12 HG LEU 12 9.348 4.764 3.545
80 HD11 LEU 12 1HD1 LEU 12 9.183 4.441 1.226
81 HD12 LEU 12 2HD1 LEU 12 8.652 2.920 1.941
82 HD13 LEU 12 3HD1 LEU 12 10.272 3.053 1.255
83 HD21 LEU 12 1HD2 LEU 12 10.705 3.113 4.959
84 HD22 LEU 12 2HD2 LEU 12 10.494 1.991 3.616
85 HD23 LEU 12 3HD2 LEU 12 9.084 2.630 4.461
86 H GLY 13 HN GLY 13 15.029 3.717 3.831
87 HA2 GLY 13 1HA GLY 13 16.191 5.755 2.431
88 HA3 GLY 13 2HA GLY 13 17.045 4.282 2.870
89 H ARG 14 HN ARG 14 16.890 6.157 0.412
90 HA ARG 14 HA ARG 14 16.701 5.979 -1.886
91 HB2 ARG 14 2HB ARG 14 18.333 4.391 -2.765
92 HB3 ARG 14 3HB ARG 14 18.966 5.205 -1.340
93 HG2 ARG 14 2HG ARG 14 17.600 2.596 -0.962
94 HG3 ARG 14 3HG ARG 14 19.211 2.602 -1.684
95 HD2 ARG 14 2HD ARG 14 20.164 2.970 0.291
96 HD3 ARG 14 3HD ARG 14 19.116 4.354 0.597
97 HE ARG 14 HE ARG 14 17.496 2.285 1.144
98 HH11 ARG 14 1HH1 ARG 14 20.747 3.032 2.140
99 HH12 ARG 14 2HH1 ARG 14 20.604 2.229 3.668
100 HH21 ARG 14 1HH2 ARG 14 17.294 1.224 3.152
101 HH22 ARG 14 2HH2 ARG 14 18.639 1.200 4.243
102 H LEU 15 HN LEU 15 14.344 5.069 -0.925
103 HA LEU 15 HA LEU 15 13.807 2.719 -2.617
104 HB2 LEU 15 2HB LEU 15 13.656 2.585 0.030
105 HB3 LEU 15 3HB LEU 15 12.066 3.280 -0.276
106 HG LEU 15 HG LEU 15 12.087 1.195 -2.027
107 HD11 LEU 15 1HD1 LEU 15 14.259 0.696 -0.335
108 HD12 LEU 15 2HD1 LEU 15 13.495 -0.423 -1.464
109 HD13 LEU 15 3HD1 LEU 15 12.963 -0.365 0.217
110 HD21 LEU 15 1HD2 LEU 15 10.238 1.699 -0.610
111 HD22 LEU 15 2HD2 LEU 15 11.166 1.312 0.839
112 HD23 LEU 15 3HD2 LEU 15 10.713 0.032 -0.288
113 H SER 16 HN SER 16 13.167 5.953 -1.967
114 HA SER 16 HA SER 16 11.860 7.439 -3.133
115 HB2 SER 16 2HB SER 16 11.875 5.470 -4.898
116 HB3 SER 16 3HB SER 16 10.206 5.273 -4.365
117 HG SER 16 HG SER 16 11.398 7.372 -5.761
118 HA PRO 17 HA PRO 17 8.793 6.553 0.223
119 HB2 PRO 17 2HB PRO 17 9.144 8.933 1.478
120 HB3 PRO 17 3HB PRO 17 10.157 7.521 1.798
121 HG2 PRO 17 2HG PRO 17 10.707 9.893 0.055
122 HG3 PRO 17 3HG PRO 17 11.789 9.061 1.188
123 HD2 PRO 17 2HD PRO 17 11.877 8.641 -1.487
124 HD3 PRO 17 3HD PRO 17 12.260 7.371 -0.308
125 H LYS 18 HN LYS 18 9.079 8.585 -2.405
126 HA LYS 18 HA LYS 18 6.723 10.190 -1.864
127 HB2 LYS 18 2HB LYS 18 8.851 10.885 -3.200
128 HB3 LYS 18 3HB LYS 18 8.087 10.026 -4.532
129 HG2 LYS 18 2HG LYS 18 6.423 11.569 -4.760
130 HG3 LYS 18 3HG LYS 18 6.479 12.044 -3.062
131 HD2 LYS 18 2HD LYS 18 8.797 13.006 -3.622
132 HD3 LYS 18 3HD LYS 18 8.294 12.862 -5.307
133 HE2 LYS 18 2HE LYS 18 7.017 14.499 -3.128
134 HE3 LYS 18 3HE LYS 18 7.786 15.077 -4.604
135 HZ1 LYS 18 1HZ LYS 18 5.506 15.195 -5.017
136 HZ2 LYS 18 2HZ LYS 18 5.191 13.690 -4.313
137 HZ3 LYS 18 3HZ LYS 18 5.987 13.776 -5.803
138 H THR 19 HN THR 19 7.686 7.840 -4.370
139 HA THR 19 HA THR 19 4.961 7.515 -5.247
140 HB THR 19 HB THR 19 5.774 6.192 -6.977
141 HG1 THR 19 1HG THR 19 7.677 4.983 -6.827
142 HG21 THR 19 1HG2 THR 19 6.849 8.561 -6.742
143 HG22 THR 19 2HG2 THR 19 7.456 7.441 -7.961
144 HG23 THR 19 3HG2 THR 19 8.330 7.652 -6.444
145 H ASN 20 HN ASN 20 6.641 6.359 -2.651
146 HA ASN 20 HA ASN 20 5.388 3.718 -2.658
147 HB2 ASN 20 2HB ASN 20 7.528 5.008 -0.987
148 HB3 ASN 20 3HB ASN 20 6.711 3.550 -0.429
149 HD21 ASN 20 1HD2 ASN 20 9.490 3.903 -1.104
150 HD22 ASN 20 2HD2 ASN 20 9.833 2.795 -2.385
151 H THR 21 HN THR 21 3.594 5.830 -2.505
152 HA THR 21 HA THR 21 2.685 5.675 0.296
153 HB THR 21 HB THR 21 2.069 7.884 -1.674
154 HG1 THR 21 1HG THR 21 4.203 8.092 -1.048
155 HG21 THR 21 1HG2 THR 21 0.667 7.111 0.572
156 HG22 THR 21 2HG2 THR 21 0.620 8.708 -0.175
157 HG23 THR 21 3HG2 THR 21 1.712 8.397 1.174
158 H CYS 22 HN CYS 22 1.184 4.112 0.341
159 HA CYS 22 HA CYS 22 -0.357 3.088 -1.651
160 HB2 CYS 22 2HB CYS 22 -0.259 2.191 0.654
161 HB3 CYS 22 3HB CYS 22 -1.273 3.522 1.200
162 H ARG 23 HN ARG 23 -1.999 3.739 -2.885
163 HA ARG 23 HA ARG 23 -3.015 6.423 -2.578
164 HB2 ARG 23 2HB ARG 23 -4.277 4.697 -4.597
165 HB3 ARG 23 3HB ARG 23 -3.560 6.294 -4.767
166 HG2 ARG 23 2HG ARG 23 -1.330 4.871 -4.410
167 HG3 ARG 23 3HG ARG 23 -2.355 3.623 -5.124
168 HD2 ARG 23 2HD ARG 23 -0.969 4.998 -6.736
169 HD3 ARG 23 3HD ARG 23 -2.692 4.881 -7.088
170 HE ARG 23 HE ARG 23 -1.915 7.198 -5.546
171 HH11 ARG 23 1HH1 ARG 23 -2.468 5.869 -8.715
172 HH12 ARG 23 2HH1 ARG 23 -2.726 7.411 -9.461
173 HH21 ARG 23 1HH2 ARG 23 -2.253 9.235 -6.516
174 HH22 ARG 23 2HH2 ARG 23 -2.603 9.326 -8.209
175 H GLY 24 HN GLY 24 -3.730 3.925 -0.829
176 HA2 GLY 24 1HA GLY 24 -6.627 4.493 -0.821
177 HA3 GLY 24 2HA GLY 24 -6.015 2.857 -0.630
178 H CYS 25 HN CYS 25 -3.736 4.399 0.923
179 HA CYS 25 HA CYS 25 -5.229 4.625 3.451
180 HB2 CYS 25 2HB CYS 25 -2.557 3.292 2.982
181 HB3 CYS 25 3HB CYS 25 -3.205 3.657 4.578
182 H ASN 26 HN ASN 26 -2.552 5.694 1.470
183 HA ASN 26 HA ASN 26 -1.592 7.783 1.369
184 HB2 ASN 26 2HB ASN 26 -2.792 8.544 4.014
185 HB3 ASN 26 3HB ASN 26 -2.370 9.576 2.651
186 HD21 ASN 26 1HD2 ASN 26 -3.594 7.874 0.674
187 HD22 ASN 26 2HD2 ASN 26 -5.303 8.062 0.848
188 H HIS 27 HN HIS 27 -0.846 5.321 3.083
189 HA HIS 27 HA HIS 27 1.159 6.627 4.792
190 HB2 HIS 27 2HB HIS 27 -0.132 3.912 4.880
191 HB3 HIS 27 3HB HIS 27 1.383 4.224 5.722
192 HD1 HIS 27 1HD HIS 27 0.959 6.836 7.065
193 HD2 HIS 27 2HD HIS 27 -2.070 4.010 6.751
194 HE1 HIS 27 1HE HIS 27 -0.661 7.380 8.909
195 H LEU 28 HN LEU 28 3.237 5.271 4.993
196 HA LEU 28 HA LEU 28 4.308 4.980 2.322
197 HB2 LEU 28 2HB LEU 28 5.459 5.013 5.080
198 HB3 LEU 28 3HB LEU 28 6.422 4.414 3.731
199 HG LEU 28 HG LEU 28 5.271 7.190 4.010
200 HD11 LEU 28 1HD1 LEU 28 7.951 5.987 4.503
201 HD12 LEU 28 2HD1 LEU 28 7.082 7.221 5.414
202 HD13 LEU 28 3HD1 LEU 28 7.850 7.634 3.882
203 HD21 LEU 28 1HD2 LEU 28 7.019 7.388 1.998
204 HD22 LEU 28 2HD2 LEU 28 5.307 7.041 1.749
205 HD23 LEU 28 3HD2 LEU 28 6.485 5.726 1.743
206 H VAL 29 HN VAL 29 5.180 3.125 1.429
207 HA VAL 29 HA VAL 29 5.112 0.627 2.895
208 HB VAL 29 HB VAL 29 3.780 0.056 0.443
209 HG11 VAL 29 1HG1 VAL 29 2.319 -0.047 3.016
210 HG12 VAL 29 2HG1 VAL 29 2.516 -1.282 1.771
211 HG13 VAL 29 3HG1 VAL 29 3.824 -0.959 2.910
212 HG21 VAL 29 1HG2 VAL 29 1.716 1.271 0.671
213 HG22 VAL 29 2HG2 VAL 29 2.302 2.077 2.126
214 HG23 VAL 29 3HG2 VAL 29 3.044 2.427 0.565
215 H CYS 30 HN CYS 30 7.045 -0.187 2.449
216 HA CYS 30 HA CYS 30 8.766 0.507 0.433
217 HB2 CYS 30 2HB CYS 30 9.991 -1.522 0.907
218 HB3 CYS 30 3HB CYS 30 9.346 -0.883 2.415
219 H ARG 31 HN ARG 31 9.620 -1.239 -1.227
220 HA ARG 31 HA ARG 31 7.452 -1.622 -3.101
221 HB2 ARG 31 2HB ARG 31 9.144 -2.101 -4.722
222 HB3 ARG 31 3HB ARG 31 9.705 -0.739 -3.761
223 HG2 ARG 31 2HG ARG 31 11.315 -2.009 -2.671
224 HG3 ARG 31 3HG ARG 31 10.526 -3.533 -3.078
225 HD2 ARG 31 2HD ARG 31 11.395 -3.579 -5.190
226 HD3 ARG 31 3HD ARG 31 11.469 -1.821 -5.312
227 HE ARG 31 HE ARG 31 13.598 -1.894 -4.478
228 HH11 ARG 31 1HH1 ARG 31 12.018 -4.925 -3.820
229 HH12 ARG 31 2HH1 ARG 31 13.453 -5.694 -3.226
230 HH21 ARG 31 1HH2 ARG 31 15.493 -2.893 -3.699
231 HH22 ARG 31 2HH2 ARG 31 15.429 -4.537 -3.157
232 H ASP 32 HN ASP 32 7.786 -3.290 -0.598
233 HA ASP 32 HA ASP 32 7.669 -5.915 -1.929
234 HB2 ASP 32 2HB ASP 32 9.715 -5.770 -0.598
235 HB3 ASP 32 3HB ASP 32 8.778 -5.307 0.820
236 H CYS 33 HN CYS 33 6.092 -3.599 -0.068
237 HA CYS 33 HA CYS 33 4.154 -5.567 0.950
238 HB2 CYS 33 2HB CYS 33 4.844 -2.774 1.856
239 HB3 CYS 33 3HB CYS 33 3.383 -3.600 2.386
240 H ARG 34 HN ARG 34 4.482 -4.138 -1.770
241 HA ARG 34 HA ARG 34 1.798 -2.943 -1.909
242 HB2 ARG 34 2HB ARG 34 3.411 -2.660 -4.309
243 HB3 ARG 34 3HB ARG 34 2.616 -1.426 -3.340
244 HG2 ARG 34 2HG ARG 34 4.491 -1.344 -1.826
245 HG3 ARG 34 3HG ARG 34 5.275 -2.673 -2.682
246 HD2 ARG 34 2HD ARG 34 4.512 -0.158 -4.119
247 HD3 ARG 34 3HD ARG 34 6.007 -0.244 -3.187
248 HE ARG 34 HE ARG 34 5.657 -2.393 -5.074
249 HH11 ARG 34 1HH1 ARG 34 6.871 0.829 -4.562
250 HH12 ARG 34 2HH1 ARG 34 8.003 0.752 -5.871
251 HH21 ARG 34 1HH2 ARG 34 7.144 -2.508 -6.801
252 HH22 ARG 34 2HH2 ARG 34 8.157 -1.147 -7.144
253 H ILE 35 HN ILE 35 0.288 -3.687 -3.356
254 HA ILE 35 HA ILE 35 0.966 -6.197 -4.746
255 HB ILE 35 HB ILE 35 -1.482 -5.390 -3.233
256 HG12 ILE 35 2HG1 ILE 35 -1.289 -7.865 -2.603
257 HG13 ILE 35 3HG1 ILE 35 0.268 -7.839 -3.423
258 HG21 ILE 35 1HG2 ILE 35 -1.404 -6.973 -5.737
259 HG22 ILE 35 2HG2 ILE 35 -2.430 -7.564 -4.432
260 HG23 ILE 35 3HG2 ILE 35 -2.678 -5.945 -5.085
261 HD11 ILE 35 1HD1 ILE 35 1.267 -6.700 -1.764
262 HD12 ILE 35 2HD1 ILE 35 -0.164 -5.724 -1.425
263 HD13 ILE 35 3HD1 ILE 35 -0.052 -7.371 -0.804
264 H GLN 36 HN GLN 36 1.374 -5.485 -6.783
265 HA GLN 36 HA GLN 36 0.417 -3.422 -8.214
266 HB2 GLN 36 2HB GLN 36 0.454 -6.064 -9.607
267 HB3 GLN 36 3HB GLN 36 1.086 -4.512 -10.140
268 HG2 GLN 36 2HG GLN 36 3.026 -5.624 -9.714
269 HG3 GLN 36 3HG GLN 36 2.752 -4.855 -8.151
270 HE21 GLN 36 1HE2 GLN 36 0.479 -6.765 -7.694
271 HE22 GLN 36 2HE2 GLN 36 1.243 -8.231 -7.192
272 H GLU 37 HN GLU 37 -1.579 -2.658 -8.404
273 HA GLU 37 HA GLU 37 -3.846 -4.491 -8.444
274 HB2 GLU 37 2HB GLU 37 -3.674 -1.483 -8.243
275 HB3 GLU 37 3HB GLU 37 -5.190 -2.368 -8.322
276 HG2 GLU 37 2HG GLU 37 -3.528 -3.482 -6.276
277 HG3 GLU 37 3HG GLU 37 -3.673 -1.740 -6.051
278 H SER 38 HN SER 38 -5.507 -4.340 -10.049
279 HA SER 38 HA SER 38 -4.440 -4.056 -12.700
280 HB2 SER 38 2HB SER 38 -7.069 -4.946 -11.560
281 HB3 SER 38 3HB SER 38 -6.926 -4.606 -13.284
282 HG SER 38 HG SER 38 -6.068 -6.504 -13.459
283 H ASN 39 HN ASN 39 -5.772 -1.912 -10.528
284 HA ASN 39 HA ASN 39 -7.299 -0.297 -12.334
285 HB2 ASN 39 2HB ASN 39 -6.134 0.469 -9.649
286 HB3 ASN 39 3HB ASN 39 -7.435 1.292 -10.505
287 HD21 ASN 39 1HD2 ASN 39 -7.724 0.409 -7.915
288 HD22 ASN 39 2HD2 ASN 39 -8.867 -0.885 -7.878
289 H GLY 40 HN GLY 40 -4.104 -0.902 -12.257
290 HA2 GLY 40 1HA GLY 40 -2.647 0.221 -13.803
291 HA3 GLY 40 2HA GLY 40 -3.485 1.723 -13.439
292 H THR 41 HN THR 41 -3.375 0.870 -10.503
293 HA THR 41 HA THR 41 -0.579 1.690 -10.049
294 HB THR 41 HB THR 41 -2.361 3.383 -9.437
295 HG1 THR 41 1HG THR 41 -0.204 3.243 -8.465
296 HG21 THR 41 1HG2 THR 41 -3.749 3.053 -7.567
297 HG22 THR 41 2HG2 THR 41 -2.869 1.608 -7.063
298 HG23 THR 41 3HG2 THR 41 -3.894 1.563 -8.498
299 H TRP 42 HN TRP 42 -0.760 1.388 -7.206
300 HA TRP 42 HA TRP 42 -1.176 -1.500 -6.880
301 HB2 TRP 42 2HB TRP 42 0.956 -1.720 -5.700
302 HB3 TRP 42 3HB TRP 42 1.213 -1.143 -7.344
303 HD1 TRP 42 1HD TRP 42 2.675 0.956 -7.587
304 HE1 TRP 42 1HE TRP 42 3.608 2.735 -5.979
305 HE3 TRP 42 3HE TRP 42 0.226 -0.440 -3.323
306 HZ2 TRP 42 2HZ TRP 42 3.341 3.452 -3.262
307 HZ3 TRP 42 3HZ TRP 42 0.621 0.844 -1.261
308 HH2 TRP 42 2HH TRP 42 2.147 2.749 -1.234
309 H ARG 43 HN ARG 43 -1.457 -2.190 -4.686
310 HA ARG 43 HA ARG 43 -2.000 -0.040 -2.761
311 HB2 ARG 43 2HB ARG 43 -3.876 -2.239 -3.606
312 HB3 ARG 43 3HB ARG 43 -4.043 -1.423 -2.058
313 HG2 ARG 43 2HG ARG 43 -3.797 0.576 -4.040
314 HG3 ARG 43 3HG ARG 43 -4.970 -0.608 -4.618
315 HD2 ARG 43 2HD ARG 43 -5.112 0.420 -1.812
316 HD3 ARG 43 3HD ARG 43 -5.771 1.371 -3.142
317 HE ARG 43 HE ARG 43 -6.673 -1.369 -3.054
318 HH11 ARG 43 1HH1 ARG 43 -7.253 1.906 -2.028
319 HH12 ARG 43 2HH1 ARG 43 -8.945 1.657 -1.748
320 HH21 ARG 43 1HH2 ARG 43 -8.899 -1.710 -2.689
321 HH22 ARG 43 2HH2 ARG 43 -9.880 -0.401 -2.124
322 H CYS 44 HN CYS 44 -1.414 -0.477 -0.701
323 HA CYS 44 HA CYS 44 0.462 -2.329 -0.045
324 HB2 CYS 44 2HB CYS 44 0.008 -1.885 2.258
325 HB3 CYS 44 3HB CYS 44 -0.336 -0.402 1.374
326 H LYS 45 HN LYS 45 0.375 -4.252 1.336
327 HA LYS 45 HA LYS 45 -1.308 -6.238 0.263
328 HB2 LYS 45 2HB LYS 45 -0.058 -6.686 2.923
329 HB3 LYS 45 3HB LYS 45 -0.094 -7.730 1.509
330 HG2 LYS 45 2HG LYS 45 1.465 -5.860 0.507
331 HG3 LYS 45 3HG LYS 45 1.794 -5.548 2.213
332 HD2 LYS 45 2HD LYS 45 3.372 -7.135 1.924
333 HD3 LYS 45 3HD LYS 45 2.014 -8.237 2.160
334 HE2 LYS 45 2HE LYS 45 1.767 -8.586 -0.162
335 HE3 LYS 45 3HE LYS 45 2.807 -7.217 -0.554
336 HZ1 LYS 45 1HZ LYS 45 4.036 -9.208 -0.894
337 HZ2 LYS 45 2HZ LYS 45 3.630 -9.808 0.633
338 HZ3 LYS 45 3HZ LYS 45 4.658 -8.471 0.496
339 H VAL 46 HN VAL 46 -1.991 -3.860 2.497
340 HA VAL 46 HA VAL 46 -3.954 -5.445 3.973
341 HB VAL 46 HB VAL 46 -3.467 -2.499 4.335
342 HG11 VAL 46 1HG1 VAL 46 -4.873 -4.653 5.783
343 HG12 VAL 46 2HG1 VAL 46 -3.980 -3.499 6.777
344 HG13 VAL 46 3HG1 VAL 46 -5.235 -2.930 5.675
345 HG21 VAL 46 1HG2 VAL 46 -2.017 -3.642 6.327
346 HG22 VAL 46 2HG2 VAL 46 -1.689 -4.744 4.990
347 HG23 VAL 46 3HG2 VAL 46 -1.334 -3.024 4.823
348 H CYS 47 HN CYS 47 -3.736 -3.222 1.355
349 HA CYS 47 HA CYS 47 -6.589 -2.604 1.440
350 HB2 CYS 47 2HB CYS 47 -4.239 -1.530 -0.065
351 HB3 CYS 47 3HB CYS 47 -5.850 -1.321 -0.745
352 H ALA 48 HN ALA 48 -4.216 -4.077 -0.757
353 HA ALA 48 HA ALA 48 -6.051 -4.845 -2.748
354 HB1 ALA 48 1HB ALA 48 -3.996 -6.716 -2.830
355 HB2 ALA 48 2HB ALA 48 -4.087 -5.200 -3.727
356 HB3 ALA 48 3HB ALA 48 -3.251 -5.258 -2.176
357 H LYS 49 HN LYS 49 -5.389 -6.133 0.362
358 HA LYS 49 HA LYS 49 -6.421 -8.773 -0.220
359 HB2 LYS 49 2HB LYS 49 -5.719 -9.374 1.881
360 HB3 LYS 49 3HB LYS 49 -4.641 -8.018 1.579
361 HG2 LYS 49 2HG LYS 49 -6.014 -6.559 2.900
362 HG3 LYS 49 3HG LYS 49 -7.236 -7.819 3.092
363 HD2 LYS 49 2HD LYS 49 -5.893 -9.072 4.524
364 HD3 LYS 49 3HD LYS 49 -4.412 -8.273 3.991
365 HE2 LYS 49 2HE LYS 49 -4.591 -6.964 5.782
366 HE3 LYS 49 3HE LYS 49 -5.990 -6.223 5.008
367 HZ1 LYS 49 1HZ LYS 49 -6.906 -8.554 6.163
368 HZ2 LYS 49 2HZ LYS 49 -7.190 -6.973 6.695
369 HZ3 LYS 49 3HZ LYS 49 -5.889 -7.857 7.321
370 H GLU 50 HN GLU 50 -7.581 -5.747 1.056
371 HA GLU 50 HA GLU 50 -10.268 -6.926 1.264
372 HB2 GLU 50 2HB GLU 50 -8.912 -6.253 3.475
373 HB3 GLU 50 3HB GLU 50 -9.590 -4.680 3.084
374 HG2 GLU 50 2HG GLU 50 -11.776 -6.253 2.830
375 HG3 GLU 50 3HG GLU 50 -10.894 -7.100 4.099
376 H ILE 51 HN ILE 51 -11.370 -4.351 2.099
377 HA ILE 51 HA ILE 51 -11.071 -2.855 -0.423
378 HB ILE 51 HB ILE 51 -13.532 -3.679 1.049
379 HG12 ILE 51 2HG1 ILE 51 -13.539 -3.211 -1.861
380 HG13 ILE 51 3HG1 ILE 51 -12.390 -4.428 -1.316
381 HG21 ILE 51 1HG2 ILE 51 -13.850 -1.351 1.153
382 HG22 ILE 51 2HG2 ILE 51 -13.186 -1.106 -0.462
383 HG23 ILE 51 3HG2 ILE 51 -14.758 -1.880 -0.263
384 HD11 ILE 51 1HD1 ILE 51 -14.428 -5.515 -1.894
385 HD12 ILE 51 2HD1 ILE 51 -14.262 -5.564 -0.137
386 HD13 ILE 51 3HD1 ILE 51 -15.365 -4.409 -0.889
387 H GLU 52 HN GLU 52 -11.148 -2.774 3.008
388 HA GLU 52 HA GLU 52 -10.818 -1.122 4.536
389 HB2 GLU 52 2HB GLU 52 -9.129 -0.566 2.414
390 HB3 GLU 52 3HB GLU 52 -9.961 0.961 2.678
391 HG2 GLU 52 2HG GLU 52 -8.739 -0.525 4.966
392 HG3 GLU 52 3HG GLU 52 -7.757 0.501 3.924
393 H LEU 53 HN LEU 53 -11.631 0.933 5.313
394 HA LEU 53 HA LEU 53 -14.126 1.676 3.953
395 HB2 LEU 53 2HB LEU 53 -15.083 2.009 5.973
396 HB3 LEU 53 3HB LEU 53 -13.841 0.861 6.469
397 HG LEU 53 HG LEU 53 -13.774 3.858 6.803
398 HD11 LEU 53 1HD1 LEU 53 -13.568 3.078 9.245
399 HD12 LEU 53 2HD1 LEU 53 -14.208 1.544 8.654
400 HD13 LEU 53 3HD1 LEU 53 -15.154 3.021 8.475
401 HD21 LEU 53 1HD2 LEU 53 -11.668 3.342 8.095
402 HD22 LEU 53 2HD2 LEU 53 -11.547 3.208 6.340
403 HD23 LEU 53 3HD2 LEU 53 -11.690 1.754 7.330
Start of MODEL 10
1 H1 SER 1 HN SER 1 9.344 11.460 12.226
2 HA SER 1 HA SER 1 8.150 9.452 10.915
3 HB2 SER 1 2HB SER 1 7.727 10.787 8.608
4 HB3 SER 1 3HB SER 1 6.452 10.475 9.786
5 HG SER 1 HG SER 1 6.297 12.542 10.052
6 H ASP 2 HN ASP 2 9.864 8.399 10.194
7 HA ASP 2 HA ASP 2 12.083 9.942 9.024
8 HB2 ASP 2 2HB ASP 2 12.179 7.201 10.302
9 HB3 ASP 2 3HB ASP 2 13.557 8.126 9.712
10 H ARG 3 HN ARG 3 9.520 8.353 7.994
11 HA ARG 3 HA ARG 3 8.987 7.541 5.919
12 HB2 ARG 3 2HB ARG 3 11.903 7.312 5.229
13 HB3 ARG 3 3HB ARG 3 10.534 7.549 4.152
14 HG2 ARG 3 2HG ARG 3 10.818 9.710 6.069
15 HG3 ARG 3 3HG ARG 3 12.254 9.495 5.064
16 HD2 ARG 3 2HD ARG 3 11.197 10.166 3.189
17 HD3 ARG 3 3HD ARG 3 9.688 9.370 3.633
18 HE ARG 3 HE ARG 3 9.834 11.471 5.345
19 HH11 ARG 3 1HH1 ARG 3 10.021 11.150 1.883
20 HH12 ARG 3 2HH1 ARG 3 9.349 12.717 1.571
21 HH21 ARG 3 1HH2 ARG 3 8.949 13.535 4.947
22 HH22 ARG 3 2HH2 ARG 3 8.742 14.073 3.315
23 H THR 4 HN THR 4 8.545 5.772 7.583
24 HA THR 4 HA THR 4 10.115 3.374 6.889
25 HB THR 4 HB THR 4 8.532 3.107 9.318
26 HG1 THR 4 1HG THR 4 9.557 4.606 10.549
27 HG21 THR 4 1HG2 THR 4 10.458 1.677 8.385
28 HG22 THR 4 2HG2 THR 4 10.440 2.009 10.117
29 HG23 THR 4 3HG2 THR 4 11.518 2.916 9.057
30 H CYS 5 HN CYS 5 9.021 1.497 6.384
31 HA CYS 5 HA CYS 5 6.632 1.640 5.032
32 HB2 CYS 5 2HB CYS 5 8.284 -0.255 4.973
33 HB3 CYS 5 3HB CYS 5 7.611 -0.814 6.500
34 H ALA 6 HN ALA 6 4.488 1.123 5.495
35 HA ALA 6 HA ALA 6 3.748 1.498 8.302
36 HB1 ALA 6 1HB ALA 6 1.863 1.501 5.963
37 HB2 ALA 6 2HB ALA 6 1.642 2.225 7.557
38 HB3 ALA 6 3HB ALA 6 2.798 2.924 6.424
39 H ARG 7 HN ARG 7 4.653 -1.073 6.864
40 HA ARG 7 HA ARG 7 2.489 -2.744 7.940
41 HB2 ARG 7 2HB ARG 7 3.990 -3.336 5.384
42 HB3 ARG 7 3HB ARG 7 2.697 -4.298 6.088
43 HG2 ARG 7 2HG ARG 7 2.368 -1.469 5.115
44 HG3 ARG 7 3HG ARG 7 1.996 -2.906 4.160
45 HD2 ARG 7 2HD ARG 7 0.506 -1.655 6.354
46 HD3 ARG 7 3HD ARG 7 -0.065 -2.656 5.020
47 HE ARG 7 HE ARG 7 0.591 -3.523 7.671
48 HH11 ARG 7 1HH1 ARG 7 0.397 -4.495 4.334
49 HH12 ARG 7 2HH1 ARG 7 0.188 -6.175 4.700
50 HH21 ARG 7 1HH2 ARG 7 0.316 -5.732 8.166
51 HH22 ARG 7 2HH2 ARG 7 0.141 -6.877 6.879
52 H CYS 8 HN CYS 8 5.883 -2.506 6.985
53 HA CYS 8 HA CYS 8 6.501 -4.664 8.896
54 HB2 CYS 8 2HB CYS 8 8.524 -5.102 7.580
55 HB3 CYS 8 3HB CYS 8 7.077 -5.259 6.588
56 H GLN 9 HN GLN 9 6.816 -1.369 8.215
57 HA GLN 9 HA GLN 9 7.904 0.345 9.241
58 HB2 GLN 9 2HB GLN 9 7.969 -1.816 11.287
59 HB3 GLN 9 3HB GLN 9 9.006 -0.419 11.545
60 HG2 GLN 9 2HG GLN 9 7.238 0.513 12.512
61 HG3 GLN 9 3HG GLN 9 6.614 0.732 10.879
62 HE21 GLN 9 1HE2 GLN 9 5.600 -1.444 10.041
63 HE22 GLN 9 2HE2 GLN 9 4.448 -2.145 11.120
64 H GLU 10 HN GLU 10 9.329 -0.477 7.239
65 HA GLU 10 HA GLU 10 12.069 -0.848 8.258
66 HB2 GLU 10 2HB GLU 10 10.687 -1.893 5.824
67 HB3 GLU 10 3HB GLU 10 12.415 -1.576 5.743
68 HG2 GLU 10 2HG GLU 10 11.088 -3.360 7.772
69 HG3 GLU 10 3HG GLU 10 11.871 -3.915 6.293
70 H SER 11 HN SER 11 13.756 0.325 7.238
71 HA SER 11 HA SER 11 13.213 3.012 6.751
72 HB2 SER 11 2HB SER 11 15.613 2.791 5.575
73 HB3 SER 11 3HB SER 11 15.413 2.752 7.327
74 HG SER 11 HG SER 11 15.641 0.529 5.579
75 H LEU 12 HN LEU 12 12.704 4.174 4.992
76 HA LEU 12 HA LEU 12 12.171 2.724 2.520
77 HB2 LEU 12 2HB LEU 12 11.323 5.349 3.657
78 HB3 LEU 12 3HB LEU 12 11.223 5.086 1.917
79 HG LEU 12 HG LEU 12 9.158 4.655 3.478
80 HD11 LEU 12 1HD1 LEU 12 8.853 4.307 1.211
81 HD12 LEU 12 2HD1 LEU 12 8.559 2.705 1.886
82 HD13 LEU 12 3HD1 LEU 12 10.107 3.071 1.125
83 HD21 LEU 12 1HD2 LEU 12 10.468 1.947 3.555
84 HD22 LEU 12 2HD2 LEU 12 8.962 2.451 4.323
85 HD23 LEU 12 3HD2 LEU 12 10.504 3.075 4.912
86 H GLY 13 HN GLY 13 14.907 3.574 3.492
87 HA2 GLY 13 1HA GLY 13 15.922 5.687 1.981
88 HA3 GLY 13 2HA GLY 13 16.858 4.305 2.531
89 H ARG 14 HN ARG 14 16.962 5.830 0.001
90 HA ARG 14 HA ARG 14 16.941 5.514 -2.277
91 HB2 ARG 14 2HB ARG 14 18.078 2.969 -1.139
92 HB3 ARG 14 3HB ARG 14 18.025 3.264 -2.872
93 HG2 ARG 14 2HG ARG 14 19.323 5.356 -2.482
94 HG3 ARG 14 3HG ARG 14 19.493 4.869 -0.794
95 HD2 ARG 14 2HD ARG 14 20.223 2.642 -2.352
96 HD3 ARG 14 3HD ARG 14 21.006 4.042 -3.084
97 HE ARG 14 HE ARG 14 22.362 4.208 -1.242
98 HH11 ARG 14 1HH1 ARG 14 19.709 2.069 -0.533
99 HH12 ARG 14 2HH1 ARG 14 20.369 1.539 0.978
100 HH21 ARG 14 1HH2 ARG 14 23.242 3.518 0.746
101 HH22 ARG 14 2HH2 ARG 14 22.378 2.365 1.705
102 H LEU 15 HN LEU 15 14.386 5.043 -1.172
103 HA LEU 15 HA LEU 15 13.403 2.924 -2.968
104 HB2 LEU 15 2HB LEU 15 13.152 3.055 -0.185
105 HB3 LEU 15 3HB LEU 15 11.573 3.517 -0.821
106 HG LEU 15 HG LEU 15 13.033 0.911 -1.127
107 HD11 LEU 15 1HD1 LEU 15 10.211 1.552 -0.290
108 HD12 LEU 15 2HD1 LEU 15 11.552 1.289 0.824
109 HD13 LEU 15 3HD1 LEU 15 11.011 -0.019 -0.229
110 HD21 LEU 15 1HD2 LEU 15 11.084 2.174 -2.961
111 HD22 LEU 15 2HD2 LEU 15 10.829 0.473 -2.566
112 HD23 LEU 15 3HD2 LEU 15 12.353 0.993 -3.288
113 H SER 16 HN SER 16 13.255 6.186 -1.983
114 HA SER 16 HA SER 16 12.169 7.986 -2.869
115 HB2 SER 16 2HB SER 16 12.108 6.097 -4.943
116 HB3 SER 16 3HB SER 16 10.453 6.693 -4.809
117 HG SER 16 HG SER 16 12.635 7.928 -5.807
118 HA PRO 17 HA PRO 17 8.544 6.786 -0.282
119 HB2 PRO 17 2HB PRO 17 8.749 8.924 1.378
120 HB3 PRO 17 3HB PRO 17 9.659 7.428 1.621
121 HG2 PRO 17 2HG PRO 17 10.548 10.006 0.387
122 HG3 PRO 17 3HG PRO 17 11.409 8.956 1.528
123 HD2 PRO 17 2HD PRO 17 11.920 8.947 -1.131
124 HD3 PRO 17 3HD PRO 17 12.072 7.491 -0.125
125 H LYS 18 HN LYS 18 9.279 9.122 -2.516
126 HA LYS 18 HA LYS 18 7.079 10.913 -2.084
127 HB2 LYS 18 2HB LYS 18 9.257 11.467 -3.276
128 HB3 LYS 18 3HB LYS 18 8.634 10.552 -4.644
129 HG2 LYS 18 2HG LYS 18 8.290 12.969 -4.886
130 HG3 LYS 18 3HG LYS 18 6.771 12.070 -4.865
131 HD2 LYS 18 2HD LYS 18 6.212 12.822 -2.738
132 HD3 LYS 18 3HD LYS 18 7.883 13.229 -2.337
133 HE2 LYS 18 2HE LYS 18 6.267 14.665 -4.437
134 HE3 LYS 18 3HE LYS 18 6.369 15.190 -2.757
135 HZ1 LYS 18 1HZ LYS 18 8.966 14.755 -3.708
136 HZ2 LYS 18 2HZ LYS 18 8.257 16.214 -3.230
137 HZ3 LYS 18 3HZ LYS 18 8.156 15.713 -4.843
138 H THR 19 HN THR 19 7.594 7.944 -3.809
139 HA THR 19 HA THR 19 4.806 8.055 -4.749
140 HB THR 19 HB THR 19 5.302 7.251 -6.840
141 HG1 THR 19 1HG THR 19 7.372 6.143 -7.238
142 HG21 THR 19 1HG2 THR 19 8.002 8.469 -6.386
143 HG22 THR 19 2HG2 THR 19 6.546 9.459 -6.295
144 HG23 THR 19 3HG2 THR 19 6.941 8.605 -7.786
145 H ASN 20 HN ASN 20 6.068 6.880 -2.333
146 HA ASN 20 HA ASN 20 5.408 4.049 -2.811
147 HB2 ASN 20 2HB ASN 20 7.263 5.282 -0.765
148 HB3 ASN 20 3HB ASN 20 6.802 3.581 -0.782
149 HD21 ASN 20 1HD2 ASN 20 9.342 3.841 -0.875
150 HD22 ASN 20 2HD2 ASN 20 9.999 3.668 -2.462
151 H THR 21 HN THR 21 3.849 6.593 -1.917
152 HA THR 21 HA THR 21 2.797 5.623 0.635
153 HB THR 21 HB THR 21 2.056 8.154 -0.840
154 HG1 THR 21 1HG THR 21 3.638 9.149 0.284
155 HG21 THR 21 1HG2 THR 21 1.742 8.434 1.930
156 HG22 THR 21 2HG2 THR 21 1.058 6.858 1.532
157 HG23 THR 21 3HG2 THR 21 0.468 8.307 0.718
158 H CYS 22 HN CYS 22 1.322 4.058 0.400
159 HA CYS 22 HA CYS 22 -0.191 3.363 -1.741
160 HB2 CYS 22 2HB CYS 22 -0.109 2.073 0.352
161 HB3 CYS 22 3HB CYS 22 -1.100 3.294 1.143
162 H ARG 23 HN ARG 23 -1.909 4.115 -2.826
163 HA ARG 23 HA ARG 23 -2.941 6.723 -2.128
164 HB2 ARG 23 2HB ARG 23 -4.243 5.334 -4.353
165 HB3 ARG 23 3HB ARG 23 -3.462 6.909 -4.311
166 HG2 ARG 23 2HG ARG 23 -1.281 5.405 -4.211
167 HG3 ARG 23 3HG ARG 23 -2.352 4.255 -5.014
168 HD2 ARG 23 2HD ARG 23 -1.924 5.301 -6.928
169 HD3 ARG 23 3HD ARG 23 -2.794 6.699 -6.294
170 HE ARG 23 HE ARG 23 -0.286 6.968 -5.276
171 HH11 ARG 23 1HH1 ARG 23 -1.585 6.561 -8.481
172 HH12 ARG 23 2HH1 ARG 23 -0.313 7.451 -9.250
173 HH21 ARG 23 1HH2 ARG 23 1.394 8.142 -6.279
174 HH22 ARG 23 2HH2 ARG 23 1.381 8.349 -7.997
175 H GLY 24 HN GLY 24 -3.586 4.097 -0.645
176 HA2 GLY 24 1HA GLY 24 -6.527 4.325 -0.801
177 HA3 GLY 24 2HA GLY 24 -5.675 2.869 -0.311
178 H CYS 25 HN CYS 25 -3.861 3.808 1.498
179 HA CYS 25 HA CYS 25 -5.619 4.790 3.642
180 HB2 CYS 25 2HB CYS 25 -3.735 3.817 5.119
181 HB3 CYS 25 3HB CYS 25 -4.822 2.693 4.308
182 H ASN 26 HN ASN 26 -2.848 5.532 1.768
183 HA ASN 26 HA ASN 26 -1.693 7.510 1.618
184 HB2 ASN 26 2HB ASN 26 -3.866 8.300 3.078
185 HB3 ASN 26 3HB ASN 26 -2.550 8.645 4.197
186 HD21 ASN 26 1HD2 ASN 26 -4.053 9.460 1.198
187 HD22 ASN 26 2HD2 ASN 26 -3.132 10.887 0.880
188 H HIS 27 HN HIS 27 -0.943 5.057 3.113
189 HA HIS 27 HA HIS 27 1.050 6.217 4.945
190 HB2 HIS 27 2HB HIS 27 -0.063 3.405 4.884
191 HB3 HIS 27 3HB HIS 27 1.156 3.997 6.010
192 HD1 HIS 27 1HD HIS 27 -0.025 6.569 7.000
193 HD2 HIS 27 2HD HIS 27 -2.310 3.159 6.362
194 HE1 HIS 27 1HE HIS 27 -2.069 6.851 8.438
195 H LEU 28 HN LEU 28 3.150 5.084 5.018
196 HA LEU 28 HA LEU 28 4.164 4.721 2.358
197 HB2 LEU 28 2HB LEU 28 5.371 4.687 5.099
198 HB3 LEU 28 3HB LEU 28 6.305 4.171 3.697
199 HG LEU 28 HG LEU 28 5.102 6.906 4.118
200 HD11 LEU 28 1HD1 LEU 28 7.004 7.499 5.093
201 HD12 LEU 28 2HD1 LEU 28 7.956 6.792 3.789
202 HD13 LEU 28 3HD1 LEU 28 7.446 5.792 5.148
203 HD21 LEU 28 1HD2 LEU 28 6.575 7.421 2.104
204 HD22 LEU 28 2HD2 LEU 28 5.076 6.542 1.800
205 HD23 LEU 28 3HD2 LEU 28 6.615 5.679 1.832
206 H VAL 29 HN VAL 29 5.143 2.869 1.497
207 HA VAL 29 HA VAL 29 5.044 0.364 2.928
208 HB VAL 29 HB VAL 29 3.705 -0.186 0.470
209 HG11 VAL 29 1HG1 VAL 29 2.422 -1.532 1.788
210 HG12 VAL 29 2HG1 VAL 29 3.780 -1.276 2.886
211 HG13 VAL 29 3HG1 VAL 29 2.299 -0.338 3.081
212 HG21 VAL 29 1HG2 VAL 29 1.602 0.992 0.807
213 HG22 VAL 29 2HG2 VAL 29 2.284 1.846 2.191
214 HG23 VAL 29 3HG2 VAL 29 2.922 2.138 0.574
215 H CYS 30 HN CYS 30 6.991 -0.419 2.477
216 HA CYS 30 HA CYS 30 8.679 0.288 0.431
217 HB2 CYS 30 2HB CYS 30 9.948 -1.719 0.922
218 HB3 CYS 30 3HB CYS 30 9.336 -1.035 2.424
219 H ARG 31 HN ARG 31 9.560 -1.547 -1.163
220 HA ARG 31 HA ARG 31 7.404 -1.963 -3.042
221 HB2 ARG 31 2HB ARG 31 9.244 -2.809 -4.524
222 HB3 ARG 31 3HB ARG 31 9.463 -1.160 -3.954
223 HG2 ARG 31 2HG ARG 31 11.196 -1.740 -2.535
224 HG3 ARG 31 3HG ARG 31 10.718 -3.439 -2.486
225 HD2 ARG 31 2HD ARG 31 11.354 -2.552 -5.175
226 HD3 ARG 31 3HD ARG 31 12.704 -2.322 -4.063
227 HE ARG 31 HE ARG 31 11.588 -4.836 -4.959
228 HH11 ARG 31 1HH1 ARG 31 13.583 -3.201 -2.620
229 HH12 ARG 31 2HH1 ARG 31 14.455 -4.630 -2.173
230 HH21 ARG 31 1HH2 ARG 31 12.729 -6.723 -4.377
231 HH22 ARG 31 2HH2 ARG 31 13.969 -6.633 -3.173
232 H ASP 32 HN ASP 32 7.738 -3.551 -0.465
233 HA ASP 32 HA ASP 32 7.511 -6.210 -1.711
234 HB2 ASP 32 2HB ASP 32 9.632 -5.819 -0.330
235 HB3 ASP 32 3HB ASP 32 8.573 -5.781 1.077
236 H CYS 33 HN CYS 33 6.033 -3.796 0.058
237 HA CYS 33 HA CYS 33 4.103 -5.680 1.242
238 HB2 CYS 33 2HB CYS 33 4.922 -2.895 2.056
239 HB3 CYS 33 3HB CYS 33 3.449 -3.650 2.656
240 H ARG 34 HN ARG 34 4.350 -4.362 -1.527
241 HA ARG 34 HA ARG 34 1.667 -3.145 -1.586
242 HB2 ARG 34 2HB ARG 34 3.196 -2.735 -4.006
243 HB3 ARG 34 3HB ARG 34 2.457 -1.549 -2.939
244 HG2 ARG 34 2HG ARG 34 4.394 -1.482 -1.550
245 HG3 ARG 34 3HG ARG 34 5.114 -2.850 -2.400
246 HD2 ARG 34 2HD ARG 34 5.733 -1.589 -4.191
247 HD3 ARG 34 3HD ARG 34 4.369 -0.485 -4.021
248 HE ARG 34 HE ARG 34 5.831 0.141 -1.876
249 HH11 ARG 34 1HH1 ARG 34 6.724 -0.318 -5.210
250 HH12 ARG 34 2HH1 ARG 34 8.043 0.805 -5.147
251 HH21 ARG 34 1HH2 ARG 34 7.564 1.622 -1.781
252 HH22 ARG 34 2HH2 ARG 34 8.519 1.908 -3.196
253 H ILE 35 HN ILE 35 0.307 -3.644 -3.407
254 HA ILE 35 HA ILE 35 0.920 -6.259 -4.623
255 HB ILE 35 HB ILE 35 -1.658 -5.211 -3.498
256 HG12 ILE 35 2HG1 ILE 35 -1.699 -7.540 -2.543
257 HG13 ILE 35 3HG1 ILE 35 -0.098 -7.789 -3.231
258 HG21 ILE 35 1HG2 ILE 35 -1.357 -7.424 -5.525
259 HG22 ILE 35 2HG2 ILE 35 -2.823 -7.082 -4.606
260 HG23 ILE 35 3HG2 ILE 35 -2.202 -5.893 -5.753
261 HD11 ILE 35 1HD1 ILE 35 0.905 -6.338 -1.750
262 HD12 ILE 35 2HD1 ILE 35 -0.600 -5.483 -1.406
263 HD13 ILE 35 3HD1 ILE 35 -0.336 -7.100 -0.755
264 H GLN 36 HN GLN 36 1.173 -6.147 -6.745
265 HA GLN 36 HA GLN 36 0.717 -3.890 -8.307
266 HB2 GLN 36 2HB GLN 36 1.552 -6.635 -8.739
267 HB3 GLN 36 3HB GLN 36 0.569 -6.044 -10.073
268 HG2 GLN 36 2HG GLN 36 2.694 -4.237 -9.117
269 HG3 GLN 36 3HG GLN 36 3.221 -5.715 -9.920
270 HE21 GLN 36 1HE2 GLN 36 0.574 -3.397 -10.402
271 HE22 GLN 36 2HE2 GLN 36 0.888 -3.128 -12.079
272 H GLU 37 HN GLU 37 -1.346 -3.068 -8.047
273 HA GLU 37 HA GLU 37 -3.695 -4.648 -8.406
274 HB2 GLU 37 2HB GLU 37 -3.286 -1.654 -8.384
275 HB3 GLU 37 3HB GLU 37 -4.859 -2.434 -8.440
276 HG2 GLU 37 2HG GLU 37 -2.919 -3.044 -6.248
277 HG3 GLU 37 3HG GLU 37 -3.958 -1.622 -6.178
278 H SER 38 HN SER 38 -5.191 -4.572 -10.124
279 HA SER 38 HA SER 38 -3.930 -4.153 -12.721
280 HB2 SER 38 2HB SER 38 -5.010 -6.294 -12.424
281 HB3 SER 38 3HB SER 38 -6.512 -5.517 -11.924
282 HG SER 38 HG SER 38 -5.363 -5.004 -14.450
283 H ASN 39 HN ASN 39 -4.586 -1.814 -11.286
284 HA ASN 39 HA ASN 39 -6.681 -0.701 -13.028
285 HB2 ASN 39 2HB ASN 39 -6.165 0.067 -10.146
286 HB3 ASN 39 3HB ASN 39 -7.378 0.779 -11.205
287 HD21 ASN 39 1HD2 ASN 39 -6.345 -2.367 -9.946
288 HD22 ASN 39 2HD2 ASN 39 -7.939 -3.002 -9.746
289 H GLY 40 HN GLY 40 -3.603 -0.804 -12.938
290 HA2 GLY 40 1HA GLY 40 -2.065 0.636 -13.930
291 HA3 GLY 40 2HA GLY 40 -3.250 1.929 -13.829
292 H THR 41 HN THR 41 -2.643 0.137 -10.961
293 HA THR 41 HA THR 41 -0.551 1.877 -9.996
294 HB THR 41 HB THR 41 -2.685 3.201 -9.703
295 HG1 THR 41 1HG THR 41 -0.762 3.465 -8.378
296 HG21 THR 41 1HG2 THR 41 -3.677 0.808 -8.731
297 HG22 THR 41 2HG2 THR 41 -4.446 2.388 -8.586
298 HG23 THR 41 3HG2 THR 41 -3.432 1.778 -7.279
299 H TRP 42 HN TRP 42 -1.020 1.484 -7.244
300 HA TRP 42 HA TRP 42 -1.128 -1.420 -6.907
301 HB2 TRP 42 2HB TRP 42 0.947 -1.375 -5.544
302 HB3 TRP 42 3HB TRP 42 1.231 -0.966 -7.234
303 HD1 TRP 42 1HD TRP 42 1.993 1.529 -7.785
304 HE1 TRP 42 1HE TRP 42 2.948 3.410 -6.311
305 HE3 TRP 42 3HE TRP 42 0.801 -0.358 -3.186
306 HZ2 TRP 42 2HZ TRP 42 3.167 4.015 -3.563
307 HZ3 TRP 42 3HZ TRP 42 1.419 0.934 -1.185
308 HH2 TRP 42 2HH TRP 42 2.578 3.074 -1.371
309 H ARG 43 HN ARG 43 -1.314 -2.079 -4.645
310 HA ARG 43 HA ARG 43 -2.095 0.012 -2.768
311 HB2 ARG 43 2HB ARG 43 -3.933 -2.065 -3.894
312 HB3 ARG 43 3HB ARG 43 -4.153 -1.523 -2.235
313 HG2 ARG 43 2HG ARG 43 -3.845 0.752 -3.934
314 HG3 ARG 43 3HG ARG 43 -5.083 -0.316 -4.597
315 HD2 ARG 43 2HD ARG 43 -5.030 0.493 -1.701
316 HD3 ARG 43 3HD ARG 43 -5.848 1.453 -2.933
317 HE ARG 43 HE ARG 43 -6.608 -1.333 -2.860
318 HH11 ARG 43 1HH1 ARG 43 -7.256 1.883 -1.695
319 HH12 ARG 43 2HH1 ARG 43 -8.904 1.544 -1.285
320 HH21 ARG 43 1HH2 ARG 43 -8.777 -1.793 -2.324
321 HH22 ARG 43 2HH2 ARG 43 -9.768 -0.548 -1.643
322 H CYS 44 HN CYS 44 -1.413 -0.430 -0.769
323 HA CYS 44 HA CYS 44 0.319 -2.399 -0.084
324 HB2 CYS 44 2HB CYS 44 -0.138 -1.920 2.228
325 HB3 CYS 44 3HB CYS 44 -0.295 -0.419 1.322
326 H LYS 45 HN LYS 45 0.092 -4.279 1.360
327 HA LYS 45 HA LYS 45 -1.742 -6.156 0.310
328 HB2 LYS 45 2HB LYS 45 -0.464 -6.681 2.942
329 HB3 LYS 45 3HB LYS 45 -0.605 -7.724 1.533
330 HG2 LYS 45 2HG LYS 45 1.079 -6.128 0.434
331 HG3 LYS 45 3HG LYS 45 1.391 -5.560 2.076
332 HD2 LYS 45 2HD LYS 45 2.980 -7.218 1.852
333 HD3 LYS 45 3HD LYS 45 1.649 -8.107 2.599
334 HE2 LYS 45 2HE LYS 45 1.274 -8.159 -0.215
335 HE3 LYS 45 3HE LYS 45 2.949 -8.597 0.117
336 HZ1 LYS 45 1HZ LYS 45 0.624 -10.148 0.460
337 HZ2 LYS 45 2HZ LYS 45 1.371 -9.944 1.964
338 HZ3 LYS 45 3HZ LYS 45 2.240 -10.604 0.671
339 H VAL 46 HN VAL 46 -2.244 -3.702 2.478
340 HA VAL 46 HA VAL 46 -4.282 -5.144 4.013
341 HB VAL 46 HB VAL 46 -3.445 -2.273 4.391
342 HG11 VAL 46 1HG1 VAL 46 -4.399 -2.516 6.586
343 HG12 VAL 46 2HG1 VAL 46 -5.592 -3.024 5.388
344 HG13 VAL 46 3HG1 VAL 46 -4.697 -4.232 6.310
345 HG21 VAL 46 1HG2 VAL 46 -1.540 -3.948 4.555
346 HG22 VAL 46 2HG2 VAL 46 -1.818 -2.926 5.964
347 HG23 VAL 46 3HG2 VAL 46 -2.374 -4.599 5.966
348 H CYS 47 HN CYS 47 -3.928 -3.006 1.369
349 HA CYS 47 HA CYS 47 -6.752 -2.210 1.505
350 HB2 CYS 47 2HB CYS 47 -4.388 -1.098 0.006
351 HB3 CYS 47 3HB CYS 47 -6.041 -0.661 -0.417
352 H ALA 48 HN ALA 48 -4.374 -3.844 -0.503
353 HA ALA 48 HA ALA 48 -6.230 -4.327 -2.654
354 HB1 ALA 48 1HB ALA 48 -4.266 -5.972 -3.289
355 HB2 ALA 48 2HB ALA 48 -4.115 -4.228 -3.508
356 HB3 ALA 48 3HB ALA 48 -3.389 -5.006 -2.101
357 H LYS 49 HN LYS 49 -5.103 -6.017 0.186
358 HA LYS 49 HA LYS 49 -6.473 -8.469 -0.620
359 HB2 LYS 49 2HB LYS 49 -4.120 -8.202 0.603
360 HB3 LYS 49 3HB LYS 49 -5.144 -8.213 2.033
361 HG2 LYS 49 2HG LYS 49 -5.816 -10.387 1.705
362 HG3 LYS 49 3HG LYS 49 -5.488 -10.339 -0.029
363 HD2 LYS 49 2HD LYS 49 -3.626 -11.476 0.501
364 HD3 LYS 49 3HD LYS 49 -3.006 -9.907 1.020
365 HE2 LYS 49 2HE LYS 49 -2.692 -10.857 3.015
366 HE3 LYS 49 3HE LYS 49 -4.442 -10.772 3.205
367 HZ1 LYS 49 1HZ LYS 49 -3.381 -13.070 1.757
368 HZ2 LYS 49 2HZ LYS 49 -4.681 -12.976 2.837
369 HZ3 LYS 49 3HZ LYS 49 -3.095 -13.027 3.424
370 H GLU 50 HN GLU 50 -8.611 -8.382 -0.298
371 HA GLU 50 HA GLU 50 -9.586 -7.287 2.256
372 HB2 GLU 50 2HB GLU 50 -11.613 -6.691 1.204
373 HB3 GLU 50 3HB GLU 50 -10.348 -6.203 0.085
374 HG2 GLU 50 2HG GLU 50 -10.755 -8.504 -1.012
375 HG3 GLU 50 3HG GLU 50 -12.277 -8.474 -0.124
376 H ILE 51 HN ILE 51 -9.967 -8.860 3.667
377 HA ILE 51 HA ILE 51 -10.649 -11.533 2.801
378 HB ILE 51 HB ILE 51 -10.377 -10.380 5.579
379 HG12 ILE 51 2HG1 ILE 51 -8.502 -12.259 4.144
380 HG13 ILE 51 3HG1 ILE 51 -8.318 -10.510 4.080
381 HG21 ILE 51 1HG2 ILE 51 -10.517 -13.281 4.784
382 HG22 ILE 51 2HG2 ILE 51 -10.472 -12.613 6.415
383 HG23 ILE 51 3HG2 ILE 51 -11.891 -12.362 5.398
384 HD11 ILE 51 1HD1 ILE 51 -8.372 -12.081 6.641
385 HD12 ILE 51 2HD1 ILE 51 -6.896 -11.665 5.769
386 HD13 ILE 51 3HD1 ILE 51 -7.925 -10.389 6.419
387 H GLU 52 HN GLU 52 -12.614 -12.444 2.779
388 HA GLU 52 HA GLU 52 -14.959 -11.108 2.640
389 HB2 GLU 52 2HB GLU 52 -14.352 -13.899 3.552
390 HB3 GLU 52 3HB GLU 52 -16.009 -13.313 3.555
391 HG2 GLU 52 2HG GLU 52 -15.926 -12.905 1.190
392 HG3 GLU 52 3HG GLU 52 -14.213 -13.315 1.142
393 H LEU 53 HN LEU 53 -13.842 -12.739 5.610
394 HA LEU 53 HA LEU 53 -15.873 -11.758 7.272
395 HB2 LEU 53 2HB LEU 53 -13.284 -13.092 7.613
396 HB3 LEU 53 3HB LEU 53 -13.773 -12.090 8.978
397 HG LEU 53 HG LEU 53 -15.897 -13.857 8.043
398 HD11 LEU 53 1HD1 LEU 53 -14.134 -15.374 7.497
399 HD12 LEU 53 2HD1 LEU 53 -14.848 -15.894 9.023
400 HD13 LEU 53 3HD1 LEU 53 -13.304 -15.042 9.016
401 HD21 LEU 53 1HD2 LEU 53 -15.991 -12.615 10.132
402 HD22 LEU 53 2HD2 LEU 53 -14.540 -13.437 10.705
403 HD23 LEU 53 3HD2 LEU 53 -16.026 -14.352 10.441
Start of MODEL 11
1 H1 SER 1 HN SER 1 7.489 9.017 12.217
2 HA SER 1 HA SER 1 7.620 10.868 10.125
3 HB2 SER 1 2HB SER 1 7.637 10.986 12.902
4 HB3 SER 1 3HB SER 1 9.197 11.668 12.443
5 HG SER 1 HG SER 1 8.020 13.400 12.159
6 H ASP 2 HN ASP 2 9.486 8.461 10.034
7 HA ASP 2 HA ASP 2 11.899 9.981 9.307
8 HB2 ASP 2 2HB ASP 2 11.637 7.781 11.197
9 HB3 ASP 2 3HB ASP 2 12.804 7.424 9.925
10 H ARG 3 HN ARG 3 9.400 8.288 8.149
11 HA ARG 3 HA ARG 3 9.003 7.523 6.019
12 HB2 ARG 3 2HB ARG 3 11.952 7.348 5.476
13 HB3 ARG 3 3HB ARG 3 10.632 7.610 4.342
14 HG2 ARG 3 2HG ARG 3 10.746 9.729 6.288
15 HG3 ARG 3 3HG ARG 3 12.296 9.532 5.467
16 HD2 ARG 3 2HD ARG 3 10.623 9.356 3.367
17 HD3 ARG 3 3HD ARG 3 9.684 10.416 4.416
18 HE ARG 3 HE ARG 3 12.406 11.251 4.168
19 HH11 ARG 3 1HH1 ARG 3 9.281 11.323 2.634
20 HH12 ARG 3 2HH1 ARG 3 9.600 12.783 1.758
21 HH21 ARG 3 1HH2 ARG 3 12.837 13.175 3.020
22 HH22 ARG 3 2HH2 ARG 3 11.623 13.835 1.979
23 H THR 4 HN THR 4 8.520 5.728 7.652
24 HA THR 4 HA THR 4 10.144 3.364 6.970
25 HB THR 4 HB THR 4 8.589 2.988 9.380
26 HG1 THR 4 1HG THR 4 9.310 4.606 10.598
27 HG21 THR 4 1HG2 THR 4 10.539 1.641 8.570
28 HG22 THR 4 2HG2 THR 4 10.672 2.173 10.246
29 HG23 THR 4 3HG2 THR 4 11.581 3.003 8.983
30 H CYS 5 HN CYS 5 9.089 1.526 6.348
31 HA CYS 5 HA CYS 5 6.682 1.650 5.046
32 HB2 CYS 5 2HB CYS 5 8.369 -0.208 4.908
33 HB3 CYS 5 3HB CYS 5 7.729 -0.827 6.427
34 H ALA 6 HN ALA 6 4.563 0.920 5.508
35 HA ALA 6 HA ALA 6 3.805 1.336 8.301
36 HB1 ALA 6 1HB ALA 6 2.715 2.233 5.929
37 HB2 ALA 6 2HB ALA 6 1.613 0.952 6.436
38 HB3 ALA 6 3HB ALA 6 1.955 2.301 7.519
39 H ARG 7 HN ARG 7 4.764 -1.223 6.639
40 HA ARG 7 HA ARG 7 2.823 -3.025 7.932
41 HB2 ARG 7 2HB ARG 7 4.348 -3.737 5.436
42 HB3 ARG 7 3HB ARG 7 2.942 -4.540 6.121
43 HG2 ARG 7 2HG ARG 7 3.038 -1.877 4.730
44 HG3 ARG 7 3HG ARG 7 2.231 -3.351 4.192
45 HD2 ARG 7 2HD ARG 7 1.408 -1.360 6.224
46 HD3 ARG 7 3HD ARG 7 0.435 -2.262 5.063
47 HE ARG 7 HE ARG 7 1.179 -4.198 6.741
48 HH11 ARG 7 1HH1 ARG 7 -0.087 -1.010 7.342
49 HH12 ARG 7 2HH1 ARG 7 -0.866 -1.457 8.824
50 HH21 ARG 7 1HH2 ARG 7 0.157 -4.798 8.690
51 HH22 ARG 7 2HH2 ARG 7 -0.725 -3.612 9.591
52 H CYS 8 HN CYS 8 6.154 -2.741 6.723
53 HA CYS 8 HA CYS 8 6.987 -4.805 8.634
54 HB2 CYS 8 2HB CYS 8 8.864 -3.617 6.635
55 HB3 CYS 8 3HB CYS 8 8.800 -5.256 7.273
56 H GLN 9 HN GLN 9 7.048 -1.433 8.093
57 HA GLN 9 HA GLN 9 7.853 0.300 9.331
58 HB2 GLN 9 2HB GLN 9 7.865 -1.951 11.172
59 HB3 GLN 9 3HB GLN 9 9.147 -0.802 11.534
60 HG2 GLN 9 2HG GLN 9 7.719 0.751 12.273
61 HG3 GLN 9 3HG GLN 9 6.546 0.425 10.999
62 HE21 GLN 9 1HE2 GLN 9 5.108 -1.363 11.276
63 HE22 GLN 9 2HE2 GLN 9 4.684 -1.901 12.862
64 H GLU 10 HN GLU 10 9.460 -1.068 7.324
65 HA GLU 10 HA GLU 10 12.183 -0.842 8.348
66 HB2 GLU 10 2HB GLU 10 10.909 -2.075 5.972
67 HB3 GLU 10 3HB GLU 10 12.534 -1.445 5.749
68 HG2 GLU 10 2HG GLU 10 11.667 -3.509 7.758
69 HG3 GLU 10 3HG GLU 10 12.633 -3.780 6.309
70 H SER 11 HN SER 11 13.676 0.642 7.623
71 HA SER 11 HA SER 11 12.855 3.211 7.058
72 HB2 SER 11 2HB SER 11 15.093 2.749 7.878
73 HB3 SER 11 3HB SER 11 15.498 1.893 6.390
74 HG SER 11 HG SER 11 15.755 4.473 6.896
75 H LEU 12 HN LEU 12 12.750 4.487 5.207
76 HA LEU 12 HA LEU 12 12.428 2.974 2.705
77 HB2 LEU 12 2HB LEU 12 11.138 5.457 3.769
78 HB3 LEU 12 3HB LEU 12 11.156 5.125 2.039
79 HG LEU 12 HG LEU 12 9.110 4.445 3.548
80 HD11 LEU 12 1HD1 LEU 12 10.095 2.411 1.581
81 HD12 LEU 12 2HD1 LEU 12 9.603 4.024 1.067
82 HD13 LEU 12 3HD1 LEU 12 8.446 2.966 1.876
83 HD21 LEU 12 1HD2 LEU 12 10.772 1.945 3.721
84 HD22 LEU 12 2HD2 LEU 12 9.198 2.265 4.450
85 HD23 LEU 12 3HD2 LEU 12 10.634 3.095 5.050
86 H GLY 13 HN GLY 13 14.959 4.040 3.813
87 HA2 GLY 13 1HA GLY 13 15.982 6.325 2.856
88 HA3 GLY 13 2HA GLY 13 16.873 4.814 2.749
89 H ARG 14 HN ARG 14 16.972 3.707 0.791
90 HA ARG 14 HA ARG 14 16.592 5.384 -1.533
91 HB2 ARG 14 2HB ARG 14 17.694 2.577 -1.307
92 HB3 ARG 14 3HB ARG 14 17.752 3.588 -2.745
93 HG2 ARG 14 2HG ARG 14 18.947 4.608 -0.216
94 HG3 ARG 14 3HG ARG 14 19.816 3.391 -1.154
95 HD2 ARG 14 2HD ARG 14 20.652 5.237 -2.170
96 HD3 ARG 14 3HD ARG 14 19.183 5.066 -3.132
97 HE ARG 14 HE ARG 14 18.519 6.653 -0.969
98 HH11 ARG 14 1HH1 ARG 14 20.718 6.788 -3.664
99 HH12 ARG 14 2HH1 ARG 14 20.692 8.517 -3.767
100 HH21 ARG 14 1HH2 ARG 14 18.475 8.930 -1.094
101 HH22 ARG 14 2HH2 ARG 14 19.416 9.735 -2.304
102 H LEU 15 HN LEU 15 14.170 4.637 -0.303
103 HA LEU 15 HA LEU 15 13.039 2.593 -2.068
104 HB2 LEU 15 2HB LEU 15 12.392 3.664 0.582
105 HB3 LEU 15 3HB LEU 15 10.991 3.394 -0.454
106 HG LEU 15 HG LEU 15 11.957 1.538 1.201
107 HD11 LEU 15 1HD1 LEU 15 9.917 1.472 -0.241
108 HD12 LEU 15 2HD1 LEU 15 10.736 -0.078 -0.055
109 HD13 LEU 15 3HD1 LEU 15 10.929 0.847 -1.544
110 HD21 LEU 15 1HD2 LEU 15 13.216 0.665 -1.365
111 HD22 LEU 15 2HD2 LEU 15 13.496 0.084 0.277
112 HD23 LEU 15 3HD2 LEU 15 14.129 1.653 -0.224
113 H SER 16 HN SER 16 12.876 6.010 -1.329
114 HA SER 16 HA SER 16 12.164 7.731 -2.685
115 HB2 SER 16 2HB SER 16 12.269 5.695 -4.507
116 HB3 SER 16 3HB SER 16 10.554 6.109 -4.544
117 HG SER 16 HG SER 16 12.052 7.310 -5.991
118 HA PRO 17 HA PRO 17 8.232 7.212 -0.333
119 HB2 PRO 17 2HB PRO 17 8.482 9.554 1.018
120 HB3 PRO 17 3HB PRO 17 9.228 8.046 1.562
121 HG2 PRO 17 2HG PRO 17 10.452 10.335 0.069
122 HG3 PRO 17 3HG PRO 17 11.111 9.405 1.428
123 HD2 PRO 17 2HD PRO 17 11.851 8.958 -1.139
124 HD3 PRO 17 3HD PRO 17 11.781 7.664 0.075
125 H LYS 18 HN LYS 18 9.351 9.093 -2.809
126 HA LYS 18 HA LYS 18 7.345 11.133 -2.861
127 HB2 LYS 18 2HB LYS 18 9.502 11.454 -3.966
128 HB3 LYS 18 3HB LYS 18 9.166 10.105 -5.044
129 HG2 LYS 18 2HG LYS 18 8.720 12.022 -6.305
130 HG3 LYS 18 3HG LYS 18 7.135 11.423 -5.813
131 HD2 LYS 18 2HD LYS 18 6.907 13.096 -4.162
132 HD3 LYS 18 3HD LYS 18 8.615 13.531 -4.259
133 HE2 LYS 18 2HE LYS 18 8.301 14.865 -6.044
134 HE3 LYS 18 3HE LYS 18 7.138 13.766 -6.786
135 HZ1 LYS 18 1HZ LYS 18 5.659 15.323 -6.224
136 HZ2 LYS 18 2HZ LYS 18 6.684 16.058 -5.098
137 HZ3 LYS 18 3HZ LYS 18 5.778 14.699 -4.657
138 H THR 19 HN THR 19 7.633 7.883 -4.094
139 HA THR 19 HA THR 19 4.878 8.079 -5.106
140 HB THR 19 HB THR 19 5.461 7.492 -7.172
141 HG1 THR 19 1HG THR 19 6.396 5.479 -7.545
142 HG21 THR 19 1HG2 THR 19 8.340 7.277 -6.312
143 HG22 THR 19 2HG2 THR 19 7.521 8.823 -6.544
144 HG23 THR 19 3HG2 THR 19 7.708 7.711 -7.900
145 H ASN 20 HN ASN 20 6.778 6.772 -2.836
146 HA ASN 20 HA ASN 20 5.625 4.087 -2.919
147 HB2 ASN 20 2HB ASN 20 7.728 5.317 -1.125
148 HB3 ASN 20 3HB ASN 20 7.144 3.662 -0.973
149 HD21 ASN 20 1HD2 ASN 20 9.230 2.876 -1.350
150 HD22 ASN 20 2HD2 ASN 20 9.917 2.859 -2.935
151 H THR 21 HN THR 21 3.664 5.880 -2.540
152 HA THR 21 HA THR 21 2.967 5.495 0.291
153 HB THR 21 HB THR 21 2.281 7.977 -1.294
154 HG1 THR 21 1HG THR 21 4.583 7.413 -0.279
155 HG21 THR 21 1HG2 THR 21 1.089 8.706 0.499
156 HG22 THR 21 2HG2 THR 21 2.119 7.870 1.661
157 HG23 THR 21 3HG2 THR 21 0.891 6.975 0.767
158 H CYS 22 HN CYS 22 1.354 4.073 0.292
159 HA CYS 22 HA CYS 22 -0.274 3.334 -1.794
160 HB2 CYS 22 2HB CYS 22 -0.094 2.095 0.333
161 HB3 CYS 22 3HB CYS 22 -1.018 3.358 1.139
162 H ARG 23 HN ARG 23 -2.160 4.015 -2.681
163 HA ARG 23 HA ARG 23 -3.010 6.714 -2.026
164 HB2 ARG 23 2HB ARG 23 -4.554 5.362 -4.088
165 HB3 ARG 23 3HB ARG 23 -3.628 6.854 -4.176
166 HG2 ARG 23 2HG ARG 23 -1.576 5.250 -4.246
167 HG3 ARG 23 3HG ARG 23 -2.775 4.059 -4.756
168 HD2 ARG 23 2HD ARG 23 -2.450 6.745 -6.075
169 HD3 ARG 23 3HD ARG 23 -1.593 5.300 -6.608
170 HE ARG 23 HE ARG 23 -4.260 4.612 -6.524
171 HH11 ARG 23 1HH1 ARG 23 -2.293 6.953 -8.189
172 HH12 ARG 23 2HH1 ARG 23 -3.310 7.002 -9.592
173 HH21 ARG 23 1HH2 ARG 23 -5.606 4.667 -8.364
174 HH22 ARG 23 2HH2 ARG 23 -5.193 5.703 -9.690
175 H GLY 24 HN GLY 24 -3.611 4.176 -0.397
176 HA2 GLY 24 1HA GLY 24 -6.544 4.527 -0.308
177 HA3 GLY 24 2HA GLY 24 -5.732 3.020 0.089
178 H CYS 25 HN CYS 25 -3.683 3.903 1.706
179 HA CYS 25 HA CYS 25 -5.190 4.891 4.030
180 HB2 CYS 25 2HB CYS 25 -3.172 3.876 5.290
181 HB3 CYS 25 3HB CYS 25 -4.358 2.779 4.593
182 H ASN 26 HN ASN 26 -2.608 5.605 1.887
183 HA ASN 26 HA ASN 26 -1.392 7.527 1.638
184 HB2 ASN 26 2HB ASN 26 -2.430 8.539 4.277
185 HB3 ASN 26 3HB ASN 26 -1.881 9.467 2.884
186 HD21 ASN 26 1HD2 ASN 26 -3.286 9.940 1.269
187 HD22 ASN 26 2HD2 ASN 26 -4.967 9.544 1.311
188 H HIS 27 HN HIS 27 -0.590 5.113 3.147
189 HA HIS 27 HA HIS 27 1.506 6.297 4.847
190 HB2 HIS 27 2HB HIS 27 0.328 3.512 4.944
191 HB3 HIS 27 3HB HIS 27 1.632 4.100 5.972
192 HD1 HIS 27 1HD HIS 27 0.496 6.808 6.820
193 HD2 HIS 27 2HD HIS 27 -1.733 3.304 6.700
194 HE1 HIS 27 1HE HIS 27 -1.420 7.175 8.407
195 H LEU 28 HN LEU 28 3.589 5.140 4.848
196 HA LEU 28 HA LEU 28 4.474 4.688 2.164
197 HB2 LEU 28 2HB LEU 28 5.807 4.604 4.850
198 HB3 LEU 28 3HB LEU 28 6.656 4.106 3.388
199 HG LEU 28 HG LEU 28 5.471 6.845 3.835
200 HD11 LEU 28 1HD1 LEU 28 7.936 5.666 4.761
201 HD12 LEU 28 2HD1 LEU 28 7.241 7.247 5.113
202 HD13 LEU 28 3HD1 LEU 28 8.241 7.025 3.678
203 HD21 LEU 28 1HD2 LEU 28 5.612 6.794 1.578
204 HD22 LEU 28 2HD2 LEU 28 6.800 5.490 1.570
205 HD23 LEU 28 3HD2 LEU 28 7.309 7.145 1.907
206 H VAL 29 HN VAL 29 5.279 2.801 1.250
207 HA VAL 29 HA VAL 29 5.125 0.308 2.734
208 HB VAL 29 HB VAL 29 3.784 -0.124 0.225
209 HG11 VAL 29 1HG1 VAL 29 3.871 -1.318 2.624
210 HG12 VAL 29 2HG1 VAL 29 2.349 -0.438 2.786
211 HG13 VAL 29 3HG1 VAL 29 2.573 -1.580 1.460
212 HG21 VAL 29 1HG2 VAL 29 2.978 2.136 0.386
213 HG22 VAL 29 2HG2 VAL 29 1.661 1.035 0.795
214 HG23 VAL 29 3HG2 VAL 29 2.519 1.897 2.072
215 H CYS 30 HN CYS 30 6.943 -0.720 2.271
216 HA CYS 30 HA CYS 30 8.772 -0.068 0.323
217 HB2 CYS 30 2HB CYS 30 9.764 -2.293 0.698
218 HB3 CYS 30 3HB CYS 30 9.319 -1.515 2.213
219 H ARG 31 HN ARG 31 9.537 -1.825 -1.371
220 HA ARG 31 HA ARG 31 7.401 -1.977 -3.310
221 HB2 ARG 31 2HB ARG 31 9.324 -3.023 -4.707
222 HB3 ARG 31 3HB ARG 31 9.390 -1.311 -4.305
223 HG2 ARG 31 2HG ARG 31 11.166 -1.561 -2.916
224 HG3 ARG 31 3HG ARG 31 10.696 -3.191 -2.429
225 HD2 ARG 31 2HD ARG 31 11.749 -4.172 -4.199
226 HD3 ARG 31 3HD ARG 31 11.518 -2.776 -5.250
227 HE ARG 31 HE ARG 31 13.805 -3.343 -3.708
228 HH11 ARG 31 1HH1 ARG 31 11.756 -0.687 -4.638
229 HH12 ARG 31 2HH1 ARG 31 13.012 0.499 -4.505
230 HH21 ARG 31 1HH2 ARG 31 15.468 -1.791 -3.529
231 HH22 ARG 31 2HH2 ARG 31 15.122 -0.129 -3.875
232 H ASP 32 HN ASP 32 7.601 -3.752 -0.829
233 HA ASP 32 HA ASP 32 7.209 -6.302 -2.250
234 HB2 ASP 32 2HB ASP 32 9.314 -6.315 -0.934
235 HB3 ASP 32 3HB ASP 32 8.379 -5.976 0.521
236 H CYS 33 HN CYS 33 5.856 -3.909 -0.363
237 HA CYS 33 HA CYS 33 3.833 -5.722 0.763
238 HB2 CYS 33 2HB CYS 33 4.679 -2.928 1.523
239 HB3 CYS 33 3HB CYS 33 3.201 -3.664 2.132
240 H ARG 34 HN ARG 34 4.240 -4.234 -1.993
241 HA ARG 34 HA ARG 34 1.618 -2.937 -2.134
242 HB2 ARG 34 2HB ARG 34 3.497 -3.046 -4.455
243 HB3 ARG 34 3HB ARG 34 2.365 -1.782 -3.992
244 HG2 ARG 34 2HG ARG 34 3.805 -0.929 -2.358
245 HG3 ARG 34 3HG ARG 34 4.799 -2.388 -2.353
246 HD2 ARG 34 2HD ARG 34 5.716 -1.873 -4.481
247 HD3 ARG 34 3HD ARG 34 4.535 -0.592 -4.752
248 HE ARG 34 HE ARG 34 6.068 -0.042 -2.441
249 HH11 ARG 34 1HH1 ARG 34 6.273 -0.077 -5.916
250 HH12 ARG 34 2HH1 ARG 34 7.492 1.153 -5.987
251 HH21 ARG 34 1HH2 ARG 34 7.673 1.577 -2.521
252 HH22 ARG 34 2HH2 ARG 34 8.288 2.092 -4.055
253 H ILE 35 HN ILE 35 -0.060 -3.775 -3.235
254 HA ILE 35 HA ILE 35 0.340 -6.401 -4.489
255 HB ILE 35 HB ILE 35 -1.995 -5.125 -3.127
256 HG12 ILE 35 2HG1 ILE 35 -2.124 -7.434 -2.133
257 HG13 ILE 35 3HG1 ILE 35 -0.660 -7.835 -3.023
258 HG21 ILE 35 1HG2 ILE 35 -3.227 -5.734 -4.943
259 HG22 ILE 35 2HG2 ILE 35 -2.099 -7.001 -5.422
260 HG23 ILE 35 3HG2 ILE 35 -3.215 -7.275 -4.084
261 HD11 ILE 35 1HD1 ILE 35 -0.364 -7.198 -0.607
262 HD12 ILE 35 2HD1 ILE 35 0.631 -6.319 -1.769
263 HD13 ILE 35 3HD1 ILE 35 -0.801 -5.555 -1.079
264 H GLN 36 HN GLN 36 0.695 -6.171 -6.611
265 HA GLN 36 HA GLN 36 0.020 -4.096 -8.267
266 HB2 GLN 36 2HB GLN 36 0.633 -6.964 -8.680
267 HB3 GLN 36 3HB GLN 36 -0.134 -6.131 -10.025
268 HG2 GLN 36 2HG GLN 36 2.194 -4.826 -8.733
269 HG3 GLN 36 3HG GLN 36 2.489 -6.239 -9.747
270 HE21 GLN 36 1HE2 GLN 36 0.982 -3.054 -9.706
271 HE22 GLN 36 2HE2 GLN 36 1.172 -2.742 -11.394
272 H GLU 37 HN GLU 37 -1.887 -3.210 -8.678
273 HA GLU 37 HA GLU 37 -4.318 -4.786 -8.456
274 HB2 GLU 37 2HB GLU 37 -3.883 -1.838 -8.958
275 HB3 GLU 37 3HB GLU 37 -5.459 -2.597 -8.785
276 HG2 GLU 37 2HG GLU 37 -3.456 -2.965 -6.620
277 HG3 GLU 37 3HG GLU 37 -4.282 -1.414 -6.763
278 H SER 38 HN SER 38 -2.245 -3.501 -10.892
279 HA SER 38 HA SER 38 -2.209 -3.915 -13.147
280 HB2 SER 38 2HB SER 38 -3.886 -5.902 -12.270
281 HB3 SER 38 3HB SER 38 -4.920 -5.026 -13.397
282 HG SER 38 HG SER 38 -3.820 -6.514 -14.593
283 H ASN 39 HN ASN 39 -5.389 -2.949 -11.894
284 HA ASN 39 HA ASN 39 -6.529 -1.652 -13.959
285 HB2 ASN 39 2HB ASN 39 -7.636 -0.205 -12.398
286 HB3 ASN 39 3HB ASN 39 -7.397 -1.757 -11.602
287 HD21 ASN 39 1HD2 ASN 39 -6.964 -1.461 -9.548
288 HD22 ASN 39 2HD2 ASN 39 -5.918 -0.254 -8.888
289 H GLY 40 HN GLY 40 -3.689 -0.602 -12.204
290 HA2 GLY 40 1HA GLY 40 -2.353 0.791 -14.004
291 HA3 GLY 40 2HA GLY 40 -3.631 1.942 -13.644
292 H THR 41 HN THR 41 -3.430 0.579 -10.807
293 HA THR 41 HA THR 41 -1.069 2.082 -9.900
294 HB THR 41 HB THR 41 -3.221 3.354 -9.509
295 HG1 THR 41 1HG THR 41 -1.142 3.280 -8.119
296 HG21 THR 41 1HG2 THR 41 -4.951 2.403 -8.471
297 HG22 THR 41 2HG2 THR 41 -3.933 1.932 -7.110
298 HG23 THR 41 3HG2 THR 41 -4.076 0.874 -8.514
299 H TRP 42 HN TRP 42 -1.624 1.561 -7.125
300 HA TRP 42 HA TRP 42 -1.730 -1.321 -6.840
301 HB2 TRP 42 2HB TRP 42 0.474 -1.461 -5.729
302 HB3 TRP 42 3HB TRP 42 0.612 -0.994 -7.422
303 HD1 TRP 42 1HD TRP 42 1.741 1.299 -7.955
304 HE1 TRP 42 1HE TRP 42 2.868 3.112 -6.516
305 HE3 TRP 42 3HE TRP 42 0.281 -0.313 -3.328
306 HZ2 TRP 42 2HZ TRP 42 3.107 3.770 -3.782
307 HZ3 TRP 42 3HZ TRP 42 1.002 0.964 -1.353
308 HH2 TRP 42 2HH TRP 42 2.386 2.962 -1.577
309 H ARG 43 HN ARG 43 -1.716 -2.000 -4.575
310 HA ARG 43 HA ARG 43 -2.198 0.129 -2.631
311 HB2 ARG 43 2HB ARG 43 -4.176 -1.985 -3.440
312 HB3 ARG 43 3HB ARG 43 -4.219 -1.274 -1.832
313 HG2 ARG 43 2HG ARG 43 -4.054 0.802 -3.795
314 HG3 ARG 43 3HG ARG 43 -5.381 -0.293 -4.187
315 HD2 ARG 43 2HD ARG 43 -5.161 0.453 -1.351
316 HD3 ARG 43 3HD ARG 43 -5.562 1.775 -2.446
317 HE ARG 43 HE ARG 43 -7.298 -0.274 -1.596
318 HH11 ARG 43 1HH1 ARG 43 -6.432 1.539 -4.439
319 HH12 ARG 43 2HH1 ARG 43 -7.995 1.387 -5.172
320 HH21 ARG 43 1HH2 ARG 43 -9.360 -0.482 -2.551
321 HH22 ARG 43 2HH2 ARG 43 -9.659 0.237 -4.097
322 H CYS 44 HN CYS 44 -1.612 -0.381 -0.566
323 HA CYS 44 HA CYS 44 0.266 -2.349 -0.093
324 HB2 CYS 44 2HB CYS 44 0.002 -1.870 2.265
325 HB3 CYS 44 3HB CYS 44 -0.135 -0.368 1.357
326 H LYS 45 HN LYS 45 0.086 -4.154 1.528
327 HA LYS 45 HA LYS 45 -1.818 -6.048 0.615
328 HB2 LYS 45 2HB LYS 45 -0.402 -6.521 3.183
329 HB3 LYS 45 3HB LYS 45 -0.625 -7.593 1.808
330 HG2 LYS 45 2HG LYS 45 0.995 -5.855 0.650
331 HG3 LYS 45 3HG LYS 45 1.485 -5.574 2.321
332 HD2 LYS 45 2HD LYS 45 2.929 -7.262 1.701
333 HD3 LYS 45 3HD LYS 45 1.605 -8.183 2.419
334 HE2 LYS 45 2HE LYS 45 0.703 -8.682 0.250
335 HE3 LYS 45 3HE LYS 45 1.863 -7.606 -0.529
336 HZ1 LYS 45 1HZ LYS 45 3.638 -9.091 0.353
337 HZ2 LYS 45 2HZ LYS 45 2.633 -9.818 -0.797
338 HZ3 LYS 45 3HZ LYS 45 2.433 -10.172 0.846
339 H VAL 46 HN VAL 46 -2.050 -3.567 2.865
340 HA VAL 46 HA VAL 46 -4.017 -4.910 4.546
341 HB VAL 46 HB VAL 46 -3.211 -2.010 4.698
342 HG11 VAL 46 1HG1 VAL 46 -5.224 -2.644 5.925
343 HG12 VAL 46 2HG1 VAL 46 -4.327 -3.921 6.749
344 HG13 VAL 46 3HG1 VAL 46 -3.913 -2.229 7.028
345 HG21 VAL 46 1HG2 VAL 46 -1.316 -3.811 4.818
346 HG22 VAL 46 2HG2 VAL 46 -1.367 -2.494 5.991
347 HG23 VAL 46 3HG2 VAL 46 -1.965 -4.094 6.433
348 H CYS 47 HN CYS 47 -3.859 -2.774 1.838
349 HA CYS 47 HA CYS 47 -6.688 -2.057 2.114
350 HB2 CYS 47 2HB CYS 47 -4.459 -1.000 0.382
351 HB3 CYS 47 3HB CYS 47 -6.144 -0.585 0.088
352 H ALA 48 HN ALA 48 -4.425 -3.610 -0.119
353 HA ALA 48 HA ALA 48 -6.393 -4.235 -2.084
354 HB1 ALA 48 1HB ALA 48 -3.717 -5.557 -1.671
355 HB2 ALA 48 2HB ALA 48 -4.684 -5.541 -3.146
356 HB3 ALA 48 3HB ALA 48 -3.959 -4.047 -2.550
357 H LYS 49 HN LYS 49 -5.065 -5.909 0.706
358 HA LYS 49 HA LYS 49 -6.922 -8.140 0.196
359 HB2 LYS 49 2HB LYS 49 -4.230 -8.044 1.530
360 HB3 LYS 49 3HB LYS 49 -5.359 -9.349 1.871
361 HG2 LYS 49 2HG LYS 49 -5.214 -10.211 -0.265
362 HG3 LYS 49 3HG LYS 49 -4.657 -8.685 -0.955
363 HD2 LYS 49 2HD LYS 49 -2.724 -9.962 -0.947
364 HD3 LYS 49 3HD LYS 49 -2.580 -9.052 0.558
365 HE2 LYS 49 2HE LYS 49 -2.726 -10.900 1.819
366 HE3 LYS 49 3HE LYS 49 -4.030 -11.572 0.842
367 HZ1 LYS 49 1HZ LYS 49 -1.614 -12.629 0.922
368 HZ2 LYS 49 2HZ LYS 49 -1.375 -11.548 -0.357
369 HZ3 LYS 49 3HZ LYS 49 -2.596 -12.715 -0.453
370 H GLU 50 HN GLU 50 -7.726 -9.218 2.213
371 HA GLU 50 HA GLU 50 -8.834 -9.173 4.202
372 HB2 GLU 50 2HB GLU 50 -6.482 -7.749 4.690
373 HB3 GLU 50 3HB GLU 50 -7.762 -6.722 5.320
374 HG2 GLU 50 2HG GLU 50 -8.555 -8.493 6.740
375 HG3 GLU 50 3HG GLU 50 -7.397 -9.620 6.037
376 H ILE 51 HN ILE 51 -10.355 -7.775 5.522
377 HA ILE 51 HA ILE 51 -11.735 -5.944 3.689
378 HB ILE 51 HB ILE 51 -13.593 -6.267 5.527
379 HG12 ILE 51 2HG1 ILE 51 -12.007 -8.830 5.791
380 HG13 ILE 51 3HG1 ILE 51 -12.072 -7.568 7.018
381 HG21 ILE 51 1HG2 ILE 51 -13.029 -7.398 3.031
382 HG22 ILE 51 2HG2 ILE 51 -13.564 -8.731 4.052
383 HG23 ILE 51 3HG2 ILE 51 -14.592 -7.314 3.843
384 HD11 ILE 51 1HD1 ILE 51 -14.729 -8.139 6.465
385 HD12 ILE 51 2HD1 ILE 51 -13.921 -9.708 6.477
386 HD13 ILE 51 3HD1 ILE 51 -13.803 -8.644 7.878
387 H GLU 52 HN GLU 52 -13.063 -4.215 4.909
388 HA GLU 52 HA GLU 52 -11.771 -3.173 7.286
389 HB2 GLU 52 2HB GLU 52 -11.590 -0.886 6.032
390 HB3 GLU 52 3HB GLU 52 -10.305 -2.076 5.881
391 HG2 GLU 52 2HG GLU 52 -10.592 -1.440 3.702
392 HG3 GLU 52 3HG GLU 52 -11.641 -2.854 3.790
393 H LEU 53 HN LEU 53 -12.911 -1.308 8.183
394 HA LEU 53 HA LEU 53 -15.748 -1.622 7.923
395 HB2 LEU 53 2HB LEU 53 -14.186 -0.949 9.977
396 HB3 LEU 53 3HB LEU 53 -14.611 0.669 9.421
397 HG LEU 53 HG LEU 53 -17.063 -0.367 9.543
398 HD11 LEU 53 1HD1 LEU 53 -17.378 -2.085 10.980
399 HD12 LEU 53 2HD1 LEU 53 -15.981 -1.662 11.969
400 HD13 LEU 53 3HD1 LEU 53 -15.753 -2.514 10.442
401 HD21 LEU 53 1HD2 LEU 53 -17.361 1.034 11.294
402 HD22 LEU 53 2HD2 LEU 53 -15.726 1.539 10.866
403 HD23 LEU 53 3HD2 LEU 53 -15.980 0.395 12.186
Start of MODEL 12
1 H1 SER 1 HN SER 1 8.385 13.347 10.720
2 HA SER 1 HA SER 1 7.686 10.497 10.442
3 HB2 SER 1 2HB SER 1 6.326 12.203 9.062
4 HB3 SER 1 3HB SER 1 7.798 12.401 8.111
5 HG SER 1 HG SER 1 6.962 10.755 7.070
6 H ASP 2 HN ASP 2 9.204 9.146 9.610
7 HA ASP 2 HA ASP 2 11.793 10.349 8.874
8 HB2 ASP 2 2HB ASP 2 11.150 7.985 10.604
9 HB3 ASP 2 3HB ASP 2 12.681 8.042 9.734
10 H ARG 3 HN ARG 3 9.199 8.569 7.798
11 HA ARG 3 HA ARG 3 8.835 7.684 5.704
12 HB2 ARG 3 2HB ARG 3 11.785 7.470 5.202
13 HB3 ARG 3 3HB ARG 3 10.479 7.682 4.045
14 HG2 ARG 3 2HG ARG 3 10.533 9.915 5.827
15 HG3 ARG 3 3HG ARG 3 12.144 9.649 5.158
16 HD2 ARG 3 2HD ARG 3 10.661 9.346 2.935
17 HD3 ARG 3 3HD ARG 3 9.643 10.477 3.825
18 HE ARG 3 HE ARG 3 12.240 11.456 3.926
19 HH11 ARG 3 1HH1 ARG 3 9.804 10.795 1.528
20 HH12 ARG 3 2HH1 ARG 3 10.342 12.040 0.450
21 HH21 ARG 3 1HH2 ARG 3 12.957 13.099 2.516
22 HH22 ARG 3 2HH2 ARG 3 12.135 13.351 1.013
23 H THR 4 HN THR 4 8.304 5.990 7.400
24 HA THR 4 HA THR 4 9.986 3.608 6.963
25 HB THR 4 HB THR 4 8.288 3.351 9.285
26 HG1 THR 4 1HG THR 4 8.704 5.153 10.309
27 HG21 THR 4 1HG2 THR 4 11.296 3.396 9.012
28 HG22 THR 4 2HG2 THR 4 10.277 1.980 8.755
29 HG23 THR 4 3HG2 THR 4 10.373 2.720 10.353
30 H CYS 5 HN CYS 5 8.982 1.687 6.468
31 HA CYS 5 HA CYS 5 6.614 1.740 5.024
32 HB2 CYS 5 2HB CYS 5 8.392 -0.047 4.960
33 HB3 CYS 5 3HB CYS 5 7.710 -0.687 6.451
34 H ALA 6 HN ALA 6 4.515 0.935 5.449
35 HA ALA 6 HA ALA 6 3.672 1.365 8.210
36 HB1 ALA 6 1HB ALA 6 2.605 2.264 5.908
37 HB2 ALA 6 2HB ALA 6 1.642 0.806 6.148
38 HB3 ALA 6 3HB ALA 6 1.684 2.050 7.397
39 H ARG 7 HN ARG 7 4.732 -1.193 6.519
40 HA ARG 7 HA ARG 7 2.941 -3.057 7.932
41 HB2 ARG 7 2HB ARG 7 4.370 -3.749 5.375
42 HB3 ARG 7 3HB ARG 7 3.024 -4.586 6.137
43 HG2 ARG 7 2HG ARG 7 2.964 -1.942 4.708
44 HG3 ARG 7 3HG ARG 7 2.194 -3.452 4.221
45 HD2 ARG 7 2HD ARG 7 1.385 -1.474 6.274
46 HD3 ARG 7 3HD ARG 7 0.397 -2.409 5.153
47 HE ARG 7 HE ARG 7 1.266 -4.316 6.802
48 HH11 ARG 7 1HH1 ARG 7 -0.078 -1.170 7.450
49 HH12 ARG 7 2HH1 ARG 7 -0.784 -1.639 8.960
50 HH21 ARG 7 1HH2 ARG 7 0.338 -4.946 8.789
51 HH22 ARG 7 2HH2 ARG 7 -0.546 -3.787 9.721
52 H CYS 8 HN CYS 8 6.205 -2.461 6.714
53 HA CYS 8 HA CYS 8 7.236 -4.595 8.442
54 HB2 CYS 8 2HB CYS 8 8.807 -3.002 6.419
55 HB3 CYS 8 3HB CYS 8 9.231 -4.549 7.143
56 H GLN 9 HN GLN 9 7.025 -1.180 8.153
57 HA GLN 9 HA GLN 9 7.689 0.521 9.512
58 HB2 GLN 9 2HB GLN 9 7.763 -1.843 11.232
59 HB3 GLN 9 3HB GLN 9 8.875 -0.582 11.746
60 HG2 GLN 9 2HG GLN 9 7.208 0.880 12.262
61 HG3 GLN 9 3HG GLN 9 6.095 0.203 11.073
62 HE21 GLN 9 1HE2 GLN 9 5.738 -2.293 11.634
63 HE22 GLN 9 2HE2 GLN 9 5.201 -2.552 13.255
64 H GLU 10 HN GLU 10 9.510 -0.781 7.577
65 HA GLU 10 HA GLU 10 12.129 -0.324 8.797
66 HB2 GLU 10 2HB GLU 10 11.243 -1.584 6.212
67 HB3 GLU 10 3HB GLU 10 12.922 -1.147 6.494
68 HG2 GLU 10 2HG GLU 10 13.153 -2.694 8.235
69 HG3 GLU 10 3HG GLU 10 11.410 -2.898 8.397
70 H SER 11 HN SER 11 13.648 1.120 7.905
71 HA SER 11 HA SER 11 12.684 3.629 7.200
72 HB2 SER 11 2HB SER 11 15.183 3.827 6.268
73 HB3 SER 11 3HB SER 11 14.829 3.789 7.995
74 HG SER 11 HG SER 11 16.482 2.259 6.974
75 H LEU 12 HN LEU 12 12.541 4.767 5.277
76 HA LEU 12 HA LEU 12 12.419 3.093 2.865
77 HB2 LEU 12 2HB LEU 12 10.970 5.565 3.726
78 HB3 LEU 12 3HB LEU 12 11.085 5.149 2.018
79 HG LEU 12 HG LEU 12 9.008 4.443 3.484
80 HD11 LEU 12 1HD1 LEU 12 10.405 3.000 1.279
81 HD12 LEU 12 2HD1 LEU 12 8.892 3.906 1.252
82 HD13 LEU 12 3HD1 LEU 12 8.949 2.305 1.990
83 HD21 LEU 12 1HD2 LEU 12 9.161 2.317 4.485
84 HD22 LEU 12 2HD2 LEU 12 10.552 3.221 5.084
85 HD23 LEU 12 3HD2 LEU 12 10.762 2.022 3.806
86 H GLY 13 HN GLY 13 14.852 4.345 3.995
87 HA2 GLY 13 1HA GLY 13 15.753 6.630 2.840
88 HA3 GLY 13 2HA GLY 13 16.767 5.209 3.035
89 H ARG 14 HN ARG 14 17.223 3.916 1.276
90 HA ARG 14 HA ARG 14 16.865 5.184 -1.296
91 HB2 ARG 14 2HB ARG 14 18.899 3.743 -0.223
92 HB3 ARG 14 3HB ARG 14 18.096 2.504 -1.177
93 HG2 ARG 14 2HG ARG 14 19.196 3.245 -2.946
94 HG3 ARG 14 3HG ARG 14 18.259 4.737 -2.847
95 HD2 ARG 14 2HD ARG 14 20.542 5.371 -2.863
96 HD3 ARG 14 3HD ARG 14 19.977 5.570 -1.205
97 HE ARG 14 HE ARG 14 21.062 3.019 -1.413
98 HH11 ARG 14 1HH1 ARG 14 22.115 6.329 -1.646
99 HH12 ARG 14 2HH1 ARG 14 23.726 5.991 -1.103
100 HH21 ARG 14 1HH2 ARG 14 23.179 2.562 -0.697
101 HH22 ARG 14 2HH2 ARG 14 24.330 3.849 -0.564
102 H LEU 15 HN LEU 15 14.404 4.679 -0.714
103 HA LEU 15 HA LEU 15 13.707 2.340 -2.342
104 HB2 LEU 15 2HB LEU 15 13.454 2.141 0.280
105 HB3 LEU 15 3HB LEU 15 11.966 3.033 -0.031
106 HG LEU 15 HG LEU 15 11.079 1.269 -1.347
107 HD11 LEU 15 1HD1 LEU 15 13.896 0.302 -1.382
108 HD12 LEU 15 2HD1 LEU 15 12.734 0.443 -2.700
109 HD13 LEU 15 3HD1 LEU 15 12.583 -0.867 -1.529
110 HD21 LEU 15 1HD2 LEU 15 11.411 -0.727 0.256
111 HD22 LEU 15 2HD2 LEU 15 10.681 0.752 0.881
112 HD23 LEU 15 3HD2 LEU 15 12.379 0.398 1.207
113 H SER 16 HN SER 16 13.608 5.556 -2.076
114 HA SER 16 HA SER 16 12.352 7.228 -2.973
115 HB2 SER 16 2HB SER 16 11.691 4.863 -4.674
116 HB3 SER 16 3HB SER 16 10.740 6.334 -4.881
117 HG SER 16 HG SER 16 12.498 7.399 -5.559
118 HA PRO 17 HA PRO 17 8.782 6.137 -0.225
119 HB2 PRO 17 2HB PRO 17 9.031 8.333 1.350
120 HB3 PRO 17 3HB PRO 17 9.926 6.837 1.641
121 HG2 PRO 17 2HG PRO 17 10.830 9.357 0.300
122 HG3 PRO 17 3HG PRO 17 11.692 8.340 1.470
123 HD2 PRO 17 2HD PRO 17 12.174 8.225 -1.192
124 HD3 PRO 17 3HD PRO 17 12.319 6.808 -0.133
125 H LYS 18 HN LYS 18 9.535 8.410 -2.533
126 HA LYS 18 HA LYS 18 7.319 10.201 -2.148
127 HB2 LYS 18 2HB LYS 18 9.626 10.526 -3.422
128 HB3 LYS 18 3HB LYS 18 8.683 9.942 -4.787
129 HG2 LYS 18 2HG LYS 18 7.234 11.971 -3.354
130 HG3 LYS 18 3HG LYS 18 8.834 12.552 -3.821
131 HD2 LYS 18 2HD LYS 18 8.423 12.202 -6.098
132 HD3 LYS 18 3HD LYS 18 7.059 11.129 -5.779
133 HE2 LYS 18 2HE LYS 18 5.977 13.208 -4.695
134 HE3 LYS 18 3HE LYS 18 7.201 14.117 -5.579
135 HZ1 LYS 18 1HZ LYS 18 6.356 13.377 -7.624
136 HZ2 LYS 18 2HZ LYS 18 4.993 13.809 -6.721
137 HZ3 LYS 18 3HZ LYS 18 5.402 12.178 -6.909
138 H THR 19 HN THR 19 7.916 7.243 -3.883
139 HA THR 19 HA THR 19 5.179 7.368 -4.974
140 HB THR 19 HB THR 19 5.832 6.073 -6.853
141 HG1 THR 19 1HG THR 19 8.330 5.751 -5.519
142 HG21 THR 19 1HG2 THR 19 8.283 7.650 -6.921
143 HG22 THR 19 2HG2 THR 19 6.883 8.578 -6.384
144 HG23 THR 19 3HG2 THR 19 6.848 7.749 -7.939
145 H ASN 20 HN ASN 20 6.259 6.326 -2.367
146 HA ASN 20 HA ASN 20 5.337 3.540 -2.644
147 HB2 ASN 20 2HB ASN 20 7.310 4.719 -0.677
148 HB3 ASN 20 3HB ASN 20 6.674 3.080 -0.575
149 HD21 ASN 20 1HD2 ASN 20 9.130 2.837 -0.658
150 HD22 ASN 20 2HD2 ASN 20 9.806 2.567 -2.225
151 H THR 21 HN THR 21 3.910 6.163 -2.080
152 HA THR 21 HA THR 21 2.845 5.612 0.594
153 HB THR 21 HB THR 21 2.144 7.951 -1.180
154 HG1 THR 21 1HG THR 21 3.767 9.080 -0.045
155 HG21 THR 21 1HG2 THR 21 1.873 7.409 1.775
156 HG22 THR 21 2HG2 THR 21 0.578 7.657 0.605
157 HG23 THR 21 3HG2 THR 21 1.637 8.996 1.045
158 H CYS 22 HN CYS 22 1.478 3.892 0.323
159 HA CYS 22 HA CYS 22 -0.148 3.152 -1.682
160 HB2 CYS 22 2HB CYS 22 -0.021 1.941 0.442
161 HB3 CYS 22 3HB CYS 22 -0.930 3.220 1.240
162 H ARG 23 HN ARG 23 -1.889 3.874 -2.747
163 HA ARG 23 HA ARG 23 -2.899 6.512 -2.102
164 HB2 ARG 23 2HB ARG 23 -4.212 5.086 -4.294
165 HB3 ARG 23 3HB ARG 23 -3.430 6.661 -4.284
166 HG2 ARG 23 2HG ARG 23 -1.233 5.270 -4.232
167 HG3 ARG 23 3HG ARG 23 -2.266 3.973 -4.838
168 HD2 ARG 23 2HD ARG 23 -2.906 5.303 -6.738
169 HD3 ARG 23 3HD ARG 23 -2.048 6.704 -6.097
170 HE ARG 23 HE ARG 23 -0.926 4.515 -7.556
171 HH11 ARG 23 1HH1 ARG 23 -0.266 6.932 -5.139
172 HH12 ARG 23 2HH1 ARG 23 1.440 6.958 -5.443
173 HH21 ARG 23 1HH2 ARG 23 1.318 4.541 -7.967
174 HH22 ARG 23 2HH2 ARG 23 2.340 5.599 -7.053
175 H GLY 24 HN GLY 24 -3.524 4.041 -0.466
176 HA2 GLY 24 1HA GLY 24 -6.467 4.274 -0.603
177 HA3 GLY 24 2HA GLY 24 -5.649 2.775 -0.187
178 H CYS 25 HN CYS 25 -3.659 3.930 1.506
179 HA CYS 25 HA CYS 25 -5.350 4.782 3.766
180 HB2 CYS 25 2HB CYS 25 -3.491 3.725 5.178
181 HB3 CYS 25 3HB CYS 25 -4.567 2.629 4.319
182 H ASN 26 HN ASN 26 -2.780 5.605 1.726
183 HA ASN 26 HA ASN 26 -1.534 7.516 1.590
184 HB2 ASN 26 2HB ASN 26 -2.322 8.583 4.236
185 HB3 ASN 26 3HB ASN 26 -2.248 9.390 2.672
186 HD21 ASN 26 1HD2 ASN 26 -3.897 7.928 1.129
187 HD22 ASN 26 2HD2 ASN 26 -5.512 7.985 1.742
188 H HIS 27 HN HIS 27 -0.879 5.016 3.179
189 HA HIS 27 HA HIS 27 1.229 6.117 4.908
190 HB2 HIS 27 2HB HIS 27 0.101 3.311 4.803
191 HB3 HIS 27 3HB HIS 27 1.338 3.877 5.921
192 HD1 HIS 27 1HD HIS 27 0.085 6.504 6.855
193 HD2 HIS 27 2HD HIS 27 -2.033 2.953 6.445
194 HE1 HIS 27 1HE HIS 27 -1.912 6.734 8.366
195 H LEU 28 HN LEU 28 3.345 5.113 4.842
196 HA LEU 28 HA LEU 28 4.246 4.725 2.153
197 HB2 LEU 28 2HB LEU 28 5.573 4.730 4.839
198 HB3 LEU 28 3HB LEU 28 6.456 4.234 3.397
199 HG LEU 28 HG LEU 28 5.212 6.940 3.880
200 HD11 LEU 28 1HD1 LEU 28 8.127 6.405 3.514
201 HD12 LEU 28 2HD1 LEU 28 7.382 6.180 5.097
202 HD13 LEU 28 3HD1 LEU 28 7.323 7.759 4.310
203 HD21 LEU 28 1HD2 LEU 28 6.935 7.150 1.754
204 HD22 LEU 28 2HD2 LEU 28 5.176 7.065 1.650
205 HD23 LEU 28 3HD2 LEU 28 6.143 5.601 1.464
206 H VAL 29 HN VAL 29 5.214 2.887 1.256
207 HA VAL 29 HA VAL 29 5.171 0.386 2.720
208 HB VAL 29 HB VAL 29 3.867 -0.111 0.204
209 HG11 VAL 29 1HG1 VAL 29 2.805 -1.671 1.423
210 HG12 VAL 29 2HG1 VAL 29 3.995 -1.256 2.660
211 HG13 VAL 29 3HG1 VAL 29 2.385 -0.533 2.704
212 HG21 VAL 29 1HG2 VAL 29 1.703 0.938 0.698
213 HG22 VAL 29 2HG2 VAL 29 2.429 1.775 2.071
214 HG23 VAL 29 3HG2 VAL 29 2.966 2.138 0.431
215 H CYS 30 HN CYS 30 7.026 -0.573 2.248
216 HA CYS 30 HA CYS 30 8.841 0.194 0.331
217 HB2 CYS 30 2HB CYS 30 9.922 -1.998 0.671
218 HB3 CYS 30 3HB CYS 30 9.439 -1.259 2.195
219 H ARG 31 HN ARG 31 9.691 -1.631 -1.328
220 HA ARG 31 HA ARG 31 7.597 -1.779 -3.325
221 HB2 ARG 31 2HB ARG 31 10.447 -2.734 -3.592
222 HB3 ARG 31 3HB ARG 31 9.328 -2.312 -4.882
223 HG2 ARG 31 2HG ARG 31 9.487 -0.012 -3.347
224 HG3 ARG 31 3HG ARG 31 11.138 -0.634 -3.378
225 HD2 ARG 31 2HD ARG 31 9.447 -0.314 -5.848
226 HD3 ARG 31 3HD ARG 31 10.518 0.950 -5.243
227 HE ARG 31 HE ARG 31 11.956 -1.456 -5.509
228 HH11 ARG 31 1HH1 ARG 31 10.472 1.033 -7.438
229 HH12 ARG 31 2HH1 ARG 31 11.556 0.825 -8.774
230 HH21 ARG 31 1HH2 ARG 31 13.389 -1.740 -7.262
231 HH22 ARG 31 2HH2 ARG 31 13.213 -0.752 -8.673
232 H ASP 32 HN ASP 32 7.816 -3.568 -0.843
233 HA ASP 32 HA ASP 32 7.475 -6.112 -2.288
234 HB2 ASP 32 2HB ASP 32 9.576 -5.836 -0.765
235 HB3 ASP 32 3HB ASP 32 8.429 -6.044 0.555
236 H CYS 33 HN CYS 33 6.103 -3.768 -0.329
237 HA CYS 33 HA CYS 33 4.101 -5.625 0.758
238 HB2 CYS 33 2HB CYS 33 4.904 -2.826 1.544
239 HB3 CYS 33 3HB CYS 33 3.431 -3.584 2.141
240 H ARG 34 HN ARG 34 4.546 -3.868 -1.920
241 HA ARG 34 HA ARG 34 1.832 -2.784 -2.066
242 HB2 ARG 34 2HB ARG 34 3.570 -2.514 -4.422
243 HB3 ARG 34 3HB ARG 34 2.605 -1.304 -3.587
244 HG2 ARG 34 2HG ARG 34 4.337 -1.156 -1.845
245 HG3 ARG 34 3HG ARG 34 5.313 -2.316 -2.749
246 HD2 ARG 34 2HD ARG 34 4.330 0.232 -3.995
247 HD3 ARG 34 3HD ARG 34 5.820 0.178 -3.053
248 HE ARG 34 HE ARG 34 6.065 -1.847 -4.878
249 HH11 ARG 34 1HH1 ARG 34 5.507 1.585 -5.037
250 HH12 ARG 34 2HH1 ARG 34 6.294 1.774 -6.569
251 HH21 ARG 34 1HH2 ARG 34 7.103 -1.612 -6.895
252 HH22 ARG 34 2HH2 ARG 34 7.201 -0.045 -7.625
253 H ILE 35 HN ILE 35 0.255 -3.672 -3.265
254 HA ILE 35 HA ILE 35 0.918 -6.114 -4.763
255 HB ILE 35 HB ILE 35 -1.575 -5.226 -3.349
256 HG12 ILE 35 2HG1 ILE 35 -1.399 -7.461 -2.336
257 HG13 ILE 35 3HG1 ILE 35 0.006 -7.808 -3.338
258 HG21 ILE 35 1HG2 ILE 35 -1.358 -7.292 -5.527
259 HG22 ILE 35 2HG2 ILE 35 -2.685 -7.240 -4.367
260 HG23 ILE 35 3HG2 ILE 35 -2.422 -5.887 -5.466
261 HD11 ILE 35 1HD1 ILE 35 1.317 -6.200 -2.195
262 HD12 ILE 35 2HD1 ILE 35 -0.093 -5.552 -1.357
263 HD13 ILE 35 3HD1 ILE 35 0.497 -7.169 -0.972
264 H GLN 36 HN GLN 36 0.780 -6.091 -6.904
265 HA GLN 36 HA GLN 36 0.093 -3.797 -8.371
266 HB2 GLN 36 2HB GLN 36 0.475 -6.675 -9.175
267 HB3 GLN 36 3HB GLN 36 0.112 -5.414 -10.345
268 HG2 GLN 36 2HG GLN 36 2.569 -6.107 -9.911
269 HG3 GLN 36 3HG GLN 36 2.157 -4.403 -10.101
270 HE21 GLN 36 1HE2 GLN 36 2.034 -3.091 -8.223
271 HE22 GLN 36 2HE2 GLN 36 2.898 -3.518 -6.790
272 H GLU 37 HN GLU 37 -1.823 -2.992 -8.886
273 HA GLU 37 HA GLU 37 -4.183 -4.726 -8.678
274 HB2 GLU 37 2HB GLU 37 -3.958 -1.712 -8.675
275 HB3 GLU 37 3HB GLU 37 -5.467 -2.607 -8.557
276 HG2 GLU 37 2HG GLU 37 -3.436 -3.357 -6.582
277 HG3 GLU 37 3HG GLU 37 -4.032 -1.704 -6.447
278 H SER 38 HN SER 38 -5.934 -4.381 -10.243
279 HA SER 38 HA SER 38 -4.830 -4.101 -12.935
280 HB2 SER 38 2HB SER 38 -7.172 -5.512 -11.752
281 HB3 SER 38 3HB SER 38 -7.308 -4.967 -13.424
282 HG SER 38 HG SER 38 -5.582 -6.227 -13.974
283 H ASN 39 HN ASN 39 -4.708 -1.779 -12.842
284 HA ASN 39 HA ASN 39 -6.931 -0.506 -14.024
285 HB2 ASN 39 2HB ASN 39 -6.799 -0.430 -11.117
286 HB3 ASN 39 3HB ASN 39 -6.770 1.185 -11.818
287 HD21 ASN 39 1HD2 ASN 39 -8.863 0.468 -10.281
288 HD22 ASN 39 2HD2 ASN 39 -10.278 0.250 -11.248
289 H GLY 40 HN GLY 40 -3.892 -0.223 -12.289
290 HA2 GLY 40 1HA GLY 40 -2.189 0.859 -13.883
291 HA3 GLY 40 2HA GLY 40 -3.278 2.235 -13.791
292 H THR 41 HN THR 41 -3.444 0.818 -10.849
293 HA THR 41 HA THR 41 -1.175 2.368 -9.784
294 HB THR 41 HB THR 41 -3.390 3.501 -9.414
295 HG1 THR 41 1HG THR 41 -2.881 3.282 -6.883
296 HG21 THR 41 1HG2 THR 41 -3.867 1.050 -7.717
297 HG22 THR 41 2HG2 THR 41 -4.834 1.614 -9.080
298 HG23 THR 41 3HG2 THR 41 -4.798 2.541 -7.581
299 H TRP 42 HN TRP 42 -1.767 1.687 -7.063
300 HA TRP 42 HA TRP 42 -1.754 -1.197 -6.879
301 HB2 TRP 42 2HB TRP 42 0.463 -1.312 -5.789
302 HB3 TRP 42 3HB TRP 42 0.572 -0.794 -7.469
303 HD1 TRP 42 1HD TRP 42 1.503 1.628 -7.946
304 HE1 TRP 42 1HE TRP 42 2.648 3.395 -6.467
305 HE3 TRP 42 3HE TRP 42 0.450 -0.355 -3.353
306 HZ2 TRP 42 2HZ TRP 42 3.052 3.883 -3.717
307 HZ3 TRP 42 3HZ TRP 42 1.253 0.823 -1.349
308 HH2 TRP 42 2HH TRP 42 2.527 2.898 -1.528
309 H ARG 43 HN ARG 43 -1.631 -1.939 -4.614
310 HA ARG 43 HA ARG 43 -2.155 0.103 -2.599
311 HB2 ARG 43 2HB ARG 43 -4.126 -1.982 -3.488
312 HB3 ARG 43 3HB ARG 43 -4.151 -1.371 -1.839
313 HG2 ARG 43 2HG ARG 43 -4.079 0.693 -3.924
314 HG3 ARG 43 3HG ARG 43 -5.539 -0.298 -3.891
315 HD2 ARG 43 2HD ARG 43 -4.850 0.409 -1.218
316 HD3 ARG 43 3HD ARG 43 -4.842 1.868 -2.207
317 HE ARG 43 HE ARG 43 -7.118 0.467 -1.324
318 HH11 ARG 43 1HH1 ARG 43 -5.856 2.062 -4.150
319 HH12 ARG 43 2HH1 ARG 43 -7.419 2.486 -4.768
320 HH21 ARG 43 1HH2 ARG 43 -9.180 1.020 -2.127
321 HH22 ARG 43 2HH2 ARG 43 -9.308 1.893 -3.616
322 H CYS 44 HN CYS 44 -1.423 -0.442 -0.615
323 HA CYS 44 HA CYS 44 0.446 -2.394 -0.211
324 HB2 CYS 44 2HB CYS 44 0.189 -2.034 2.161
325 HB3 CYS 44 3HB CYS 44 -0.039 -0.495 1.335
326 H LYS 45 HN LYS 45 0.290 -4.254 1.394
327 HA LYS 45 HA LYS 45 -1.524 -6.181 0.355
328 HB2 LYS 45 2HB LYS 45 -0.175 -6.749 2.927
329 HB3 LYS 45 3HB LYS 45 -0.267 -7.721 1.465
330 HG2 LYS 45 2HG LYS 45 1.333 -5.949 0.472
331 HG3 LYS 45 3HG LYS 45 1.643 -5.532 2.159
332 HD2 LYS 45 2HD LYS 45 3.275 -7.105 1.822
333 HD3 LYS 45 3HD LYS 45 1.961 -8.137 2.394
334 HE2 LYS 45 2HE LYS 45 1.402 -8.771 0.151
335 HE3 LYS 45 3HE LYS 45 2.537 -7.598 -0.515
336 HZ1 LYS 45 1HZ LYS 45 3.345 -9.936 -0.490
337 HZ2 LYS 45 2HZ LYS 45 3.356 -9.874 1.200
338 HZ3 LYS 45 3HZ LYS 45 4.361 -8.845 0.309
339 H VAL 46 HN VAL 46 -1.917 -3.783 2.649
340 HA VAL 46 HA VAL 46 -3.872 -5.265 4.236
341 HB VAL 46 HB VAL 46 -3.159 -2.360 4.575
342 HG11 VAL 46 1HG1 VAL 46 -4.332 -2.442 6.491
343 HG12 VAL 46 2HG1 VAL 46 -5.104 -3.845 5.746
344 HG13 VAL 46 3HG1 VAL 46 -3.774 -4.068 6.883
345 HG21 VAL 46 1HG2 VAL 46 -1.114 -3.807 4.576
346 HG22 VAL 46 2HG2 VAL 46 -1.411 -2.952 6.089
347 HG23 VAL 46 3HG2 VAL 46 -1.798 -4.666 5.956
348 H CYS 47 HN CYS 47 -3.705 -3.083 1.596
349 HA CYS 47 HA CYS 47 -6.557 -2.421 1.848
350 HB2 CYS 47 2HB CYS 47 -4.328 -1.187 0.230
351 HB3 CYS 47 3HB CYS 47 -6.022 -0.781 -0.023
352 H ALA 48 HN ALA 48 -4.175 -3.872 -0.302
353 HA ALA 48 HA ALA 48 -6.010 -4.368 -2.434
354 HB1 ALA 48 1HB ALA 48 -3.372 -5.729 -1.914
355 HB2 ALA 48 2HB ALA 48 -4.239 -5.629 -3.448
356 HB3 ALA 48 3HB ALA 48 -3.549 -4.174 -2.729
357 H LYS 49 HN LYS 49 -4.992 -6.108 0.418
358 HA LYS 49 HA LYS 49 -6.440 -8.504 -0.431
359 HB2 LYS 49 2HB LYS 49 -4.149 -8.664 0.596
360 HB3 LYS 49 3HB LYS 49 -4.847 -8.080 2.102
361 HG2 LYS 49 2HG LYS 49 -5.403 -10.148 2.643
362 HG3 LYS 49 3HG LYS 49 -6.430 -10.251 1.211
363 HD2 LYS 49 2HD LYS 49 -3.511 -10.596 0.818
364 HD3 LYS 49 3HD LYS 49 -4.375 -11.901 1.633
365 HE2 LYS 49 2HE LYS 49 -6.057 -11.536 -0.384
366 HE3 LYS 49 3HE LYS 49 -4.601 -10.914 -1.161
367 HZ1 LYS 49 1HZ LYS 49 -3.670 -13.170 -0.114
368 HZ2 LYS 49 2HZ LYS 49 -4.321 -13.073 -1.673
369 HZ3 LYS 49 3HZ LYS 49 -5.274 -13.632 -0.391
370 H GLU 50 HN GLU 50 -8.508 -8.719 0.083
371 HA GLU 50 HA GLU 50 -10.039 -6.997 1.567
372 HB2 GLU 50 2HB GLU 50 -11.708 -8.801 1.720
373 HB3 GLU 50 3HB GLU 50 -11.015 -8.680 0.108
374 HG2 GLU 50 2HG GLU 50 -9.367 -10.506 1.224
375 HG3 GLU 50 3HG GLU 50 -10.873 -10.857 2.071
376 H ILE 51 HN ILE 51 -9.670 -6.368 3.592
377 HA ILE 51 HA ILE 51 -8.267 -7.713 5.557
378 HB ILE 51 HB ILE 51 -8.865 -5.318 5.673
379 HG12 ILE 51 2HG1 ILE 51 -9.982 -6.519 8.170
380 HG13 ILE 51 3HG1 ILE 51 -8.336 -6.933 7.704
381 HG21 ILE 51 1HG2 ILE 51 -10.965 -4.595 5.600
382 HG22 ILE 51 2HG2 ILE 51 -11.467 -6.261 5.321
383 HG23 ILE 51 3HG2 ILE 51 -11.422 -5.617 6.962
384 HD11 ILE 51 1HD1 ILE 51 -8.116 -5.124 9.156
385 HD12 ILE 51 2HD1 ILE 51 -7.935 -4.423 7.548
386 HD13 ILE 51 3HD1 ILE 51 -9.459 -4.252 8.418
387 H GLU 52 HN GLU 52 -8.778 -9.081 7.223
388 HA GLU 52 HA GLU 52 -11.218 -10.622 6.886
389 HB2 GLU 52 2HB GLU 52 -9.759 -12.244 7.387
390 HB3 GLU 52 3HB GLU 52 -8.571 -11.090 7.977
391 HG2 GLU 52 2HG GLU 52 -9.565 -11.078 10.152
392 HG3 GLU 52 3HG GLU 52 -10.917 -12.059 9.588
393 H LEU 53 HN LEU 53 -9.633 -8.672 9.383
394 HA LEU 53 HA LEU 53 -11.474 -9.062 11.442
395 HB2 LEU 53 2HB LEU 53 -9.179 -7.593 11.085
396 HB3 LEU 53 3HB LEU 53 -10.409 -6.348 11.293
397 HG LEU 53 HG LEU 53 -9.458 -6.755 13.425
398 HD11 LEU 53 1HD1 LEU 53 -12.129 -8.104 13.114
399 HD12 LEU 53 2HD1 LEU 53 -11.801 -6.435 13.580
400 HD13 LEU 53 3HD1 LEU 53 -11.394 -7.753 14.678
401 HD21 LEU 53 1HD2 LEU 53 -8.779 -8.747 14.233
402 HD22 LEU 53 2HD2 LEU 53 -8.810 -9.213 12.531
403 HD23 LEU 53 3HD2 LEU 53 -10.171 -9.610 13.581
Start of MODEL 13
1 H1 SER 1 HN SER 1 9.454 9.829 12.592
2 HA SER 1 HA SER 1 7.803 9.830 10.402
3 HB2 SER 1 2HB SER 1 8.524 12.680 11.120
4 HB3 SER 1 3HB SER 1 7.607 12.144 9.712
5 HG SER 1 HG SER 1 6.099 12.757 11.169
6 H ASP 2 HN ASP 2 9.794 8.527 10.153
7 HA ASP 2 HA ASP 2 12.002 10.142 9.057
8 HB2 ASP 2 2HB ASP 2 11.977 7.664 10.702
9 HB3 ASP 2 3HB ASP 2 13.218 7.793 9.459
10 H ARG 3 HN ARG 3 9.427 8.394 8.139
11 HA ARG 3 HA ARG 3 8.813 7.691 6.037
12 HB2 ARG 3 2HB ARG 3 11.684 7.603 5.163
13 HB3 ARG 3 3HB ARG 3 10.241 7.874 4.194
14 HG2 ARG 3 2HG ARG 3 10.317 9.972 6.045
15 HG3 ARG 3 3HG ARG 3 11.971 9.777 5.458
16 HD2 ARG 3 2HD ARG 3 10.830 9.664 3.119
17 HD3 ARG 3 3HD ARG 3 9.484 10.450 3.943
18 HE ARG 3 HE ARG 3 11.911 11.665 3.125
19 HH11 ARG 3 1HH1 ARG 3 9.530 11.695 5.664
20 HH12 ARG 3 2HH1 ARG 3 9.820 13.348 6.095
21 HH21 ARG 3 1HH2 ARG 3 12.303 13.841 3.684
22 HH22 ARG 3 2HH2 ARG 3 11.397 14.568 4.968
23 H THR 4 HN THR 4 8.411 5.804 7.460
24 HA THR 4 HA THR 4 10.077 3.521 6.625
25 HB THR 4 HB THR 4 8.689 3.034 9.126
26 HG1 THR 4 1HG THR 4 10.719 5.030 9.201
27 HG21 THR 4 1HG2 THR 4 10.424 1.571 8.449
28 HG22 THR 4 2HG2 THR 4 11.070 2.480 9.816
29 HG23 THR 4 3HG2 THR 4 11.542 2.904 8.171
30 H CYS 5 HN CYS 5 9.016 1.611 6.135
31 HA CYS 5 HA CYS 5 6.554 1.717 4.924
32 HB2 CYS 5 2HB CYS 5 8.273 -0.130 4.756
33 HB3 CYS 5 3HB CYS 5 7.641 -0.755 6.276
34 H ALA 6 HN ALA 6 4.461 1.483 5.518
35 HA ALA 6 HA ALA 6 3.877 1.615 8.365
36 HB1 ALA 6 1HB ALA 6 2.685 2.654 6.004
37 HB2 ALA 6 2HB ALA 6 1.497 1.645 6.828
38 HB3 ALA 6 3HB ALA 6 2.267 2.979 7.686
39 H ARG 7 HN ARG 7 4.722 -0.899 6.884
40 HA ARG 7 HA ARG 7 2.552 -2.590 7.916
41 HB2 ARG 7 2HB ARG 7 4.053 -3.322 5.414
42 HB3 ARG 7 3HB ARG 7 2.548 -3.995 6.027
43 HG2 ARG 7 2HG ARG 7 2.861 -1.185 4.993
44 HG3 ARG 7 3HG ARG 7 2.263 -2.546 4.042
45 HD2 ARG 7 2HD ARG 7 0.273 -2.629 5.158
46 HD3 ARG 7 3HD ARG 7 0.964 -2.005 6.655
47 HE ARG 7 HE ARG 7 0.833 -0.107 4.478
48 HH11 ARG 7 1HH1 ARG 7 -0.745 -1.434 7.283
49 HH12 ARG 7 2HH1 ARG 7 -1.754 -0.047 7.533
50 HH21 ARG 7 1HH2 ARG 7 -0.490 1.724 4.796
51 HH22 ARG 7 2HH2 ARG 7 -1.609 1.747 6.117
52 H CYS 8 HN CYS 8 5.911 -2.540 6.746
53 HA CYS 8 HA CYS 8 6.538 -4.721 8.613
54 HB2 CYS 8 2HB CYS 8 8.634 -4.960 7.292
55 HB3 CYS 8 3HB CYS 8 7.179 -5.201 6.329
56 H GLN 9 HN GLN 9 7.060 -1.377 7.974
57 HA GLN 9 HA GLN 9 8.004 0.251 9.269
58 HB2 GLN 9 2HB GLN 9 7.565 -1.791 11.090
59 HB3 GLN 9 3HB GLN 9 9.275 -1.429 11.283
60 HG2 GLN 9 2HG GLN 9 7.491 0.905 11.175
61 HG3 GLN 9 3HG GLN 9 7.296 -0.145 12.578
62 HE21 GLN 9 1HE2 GLN 9 9.162 2.273 11.104
63 HE22 GLN 9 2HE2 GLN 9 10.423 2.355 12.282
64 H GLU 10 HN GLU 10 9.355 -0.676 7.093
65 HA GLU 10 HA GLU 10 12.151 -0.912 7.972
66 HB2 GLU 10 2HB GLU 10 10.631 -1.982 5.700
67 HB3 GLU 10 3HB GLU 10 12.196 -1.312 5.262
68 HG2 GLU 10 2HG GLU 10 12.297 -3.022 7.616
69 HG3 GLU 10 3HG GLU 10 11.729 -3.853 6.169
70 H SER 11 HN SER 11 13.771 0.343 6.883
71 HA SER 11 HA SER 11 13.083 3.065 6.620
72 HB2 SER 11 2HB SER 11 15.310 2.401 7.338
73 HB3 SER 11 3HB SER 11 15.600 1.600 5.794
74 HG SER 11 HG SER 11 16.286 3.455 5.116
75 H LEU 12 HN LEU 12 12.781 4.367 4.867
76 HA LEU 12 HA LEU 12 12.320 2.993 2.318
77 HB2 LEU 12 2HB LEU 12 11.298 5.538 3.521
78 HB3 LEU 12 3HB LEU 12 11.205 5.267 1.782
79 HG LEU 12 HG LEU 12 9.173 4.719 3.337
80 HD11 LEU 12 1HD1 LEU 12 8.607 2.802 1.780
81 HD12 LEU 12 2HD1 LEU 12 10.206 3.035 1.073
82 HD13 LEU 12 3HD1 LEU 12 9.021 4.339 1.018
83 HD21 LEU 12 1HD2 LEU 12 9.117 2.601 4.311
84 HD22 LEU 12 2HD2 LEU 12 10.708 3.222 4.749
85 HD23 LEU 12 3HD2 LEU 12 10.547 2.056 3.435
86 H GLY 13 HN GLY 13 14.836 4.399 3.690
87 HA2 GLY 13 1HA GLY 13 15.857 6.490 2.388
88 HA3 GLY 13 2HA GLY 13 16.827 5.053 2.672
89 H ARG 14 HN ARG 14 17.147 3.566 0.995
90 HA ARG 14 HA ARG 14 17.117 4.736 -1.622
91 HB2 ARG 14 2HB ARG 14 18.923 3.219 -0.683
92 HB3 ARG 14 3HB ARG 14 17.807 1.883 -0.928
93 HG2 ARG 14 2HG ARG 14 18.009 1.945 -3.198
94 HG3 ARG 14 3HG ARG 14 18.370 3.672 -3.229
95 HD2 ARG 14 2HD ARG 14 20.562 3.287 -3.195
96 HD3 ARG 14 3HD ARG 14 20.410 2.214 -1.803
97 HE ARG 14 HE ARG 14 19.560 0.880 -4.138
98 HH11 ARG 14 1HH1 ARG 14 22.443 2.043 -2.571
99 HH12 ARG 14 2HH1 ARG 14 23.473 0.852 -3.293
100 HH21 ARG 14 1HH2 ARG 14 20.905 -0.694 -5.095
101 HH22 ARG 14 2HH2 ARG 14 22.597 -0.704 -4.729
102 H LEU 15 HN LEU 15 14.534 4.674 -0.921
103 HA LEU 15 HA LEU 15 13.429 2.689 -2.763
104 HB2 LEU 15 2HB LEU 15 13.110 2.610 0.058
105 HB3 LEU 15 3HB LEU 15 11.559 3.056 -0.652
106 HG LEU 15 HG LEU 15 13.160 0.559 -1.202
107 HD11 LEU 15 1HD1 LEU 15 10.561 -0.060 -0.443
108 HD12 LEU 15 2HD1 LEU 15 11.044 1.244 0.642
109 HD13 LEU 15 3HD1 LEU 15 12.018 -0.222 0.536
110 HD21 LEU 15 1HD2 LEU 15 11.969 0.165 -3.047
111 HD22 LEU 15 2HD2 LEU 15 11.570 1.883 -3.016
112 HD23 LEU 15 3HD2 LEU 15 10.468 0.707 -2.298
113 H SER 16 HN SER 16 13.907 5.755 -2.335
114 HA SER 16 HA SER 16 12.800 7.729 -2.720
115 HB2 SER 16 2HB SER 16 12.291 5.844 -4.890
116 HB3 SER 16 3HB SER 16 11.059 7.100 -4.784
117 HG SER 16 HG SER 16 12.637 8.649 -5.004
118 HA PRO 17 HA PRO 17 9.040 6.642 -0.281
119 HB2 PRO 17 2HB PRO 17 9.378 8.636 1.530
120 HB3 PRO 17 3HB PRO 17 10.163 7.060 1.680
121 HG2 PRO 17 2HG PRO 17 11.276 9.640 0.646
122 HG3 PRO 17 3HG PRO 17 12.029 8.446 1.721
123 HD2 PRO 17 2HD PRO 17 12.592 8.583 -0.923
124 HD3 PRO 17 3HD PRO 17 12.608 7.054 -0.021
125 H LYS 18 HN LYS 18 8.390 7.611 -2.559
126 HA LYS 18 HA LYS 18 6.880 10.051 -1.971
127 HB2 LYS 18 2HB LYS 18 8.783 10.865 -3.195
128 HB3 LYS 18 3HB LYS 18 8.606 9.604 -4.408
129 HG2 LYS 18 2HG LYS 18 7.066 10.750 -5.550
130 HG3 LYS 18 3HG LYS 18 6.234 11.282 -4.087
131 HD2 LYS 18 2HD LYS 18 8.332 12.813 -3.800
132 HD3 LYS 18 3HD LYS 18 8.528 12.539 -5.532
133 HE2 LYS 18 2HE LYS 18 7.062 14.175 -5.878
134 HE3 LYS 18 3HE LYS 18 5.823 13.131 -5.184
135 HZ1 LYS 18 1HZ LYS 18 7.276 14.319 -3.098
136 HZ2 LYS 18 2HZ LYS 18 5.641 14.518 -3.486
137 HZ3 LYS 18 3HZ LYS 18 6.803 15.539 -4.173
138 H THR 19 HN THR 19 7.419 7.492 -4.386
139 HA THR 19 HA THR 19 4.580 7.574 -5.089
140 HB THR 19 HB THR 19 5.125 6.757 -7.119
141 HG1 THR 19 1HG THR 19 6.223 4.911 -7.369
142 HG21 THR 19 1HG2 THR 19 8.030 7.101 -6.615
143 HG22 THR 19 2HG2 THR 19 6.988 8.495 -6.331
144 HG23 THR 19 3HG2 THR 19 7.025 7.731 -7.919
145 H ASN 20 HN ASN 20 6.376 6.109 -2.806
146 HA ASN 20 HA ASN 20 5.082 3.493 -3.011
147 HB2 ASN 20 2HB ASN 20 7.346 4.563 -1.342
148 HB3 ASN 20 3HB ASN 20 6.554 3.044 -0.936
149 HD21 ASN 20 1HD2 ASN 20 9.292 3.520 -1.749
150 HD22 ASN 20 2HD2 ASN 20 9.547 2.582 -3.178
151 H THR 21 HN THR 21 3.579 5.916 -2.371
152 HA THR 21 HA THR 21 2.788 5.359 0.408
153 HB THR 21 HB THR 21 2.086 7.793 -1.242
154 HG1 THR 21 1HG THR 21 4.337 7.705 -0.803
155 HG21 THR 21 1HG2 THR 21 0.977 6.804 1.116
156 HG22 THR 21 2HG2 THR 21 0.802 8.435 0.468
157 HG23 THR 21 3HG2 THR 21 2.075 8.082 1.637
158 H CYS 22 HN CYS 22 1.113 4.025 0.562
159 HA CYS 22 HA CYS 22 -0.599 3.241 -1.459
160 HB2 CYS 22 2HB CYS 22 -0.327 2.084 0.728
161 HB3 CYS 22 3HB CYS 22 -1.269 3.362 1.488
162 H ARG 23 HN ARG 23 -2.317 4.100 -2.439
163 HA ARG 23 HA ARG 23 -3.138 6.775 -1.761
164 HB2 ARG 23 2HB ARG 23 -4.741 5.320 -3.749
165 HB3 ARG 23 3HB ARG 23 -3.939 6.881 -3.869
166 HG2 ARG 23 2HG ARG 23 -1.795 5.265 -3.897
167 HG3 ARG 23 3HG ARG 23 -2.995 4.199 -4.632
168 HD2 ARG 23 2HD ARG 23 -1.780 6.685 -5.654
169 HD3 ARG 23 3HD ARG 23 -2.326 5.250 -6.520
170 HE ARG 23 HE ARG 23 -3.807 7.641 -6.064
171 HH11 ARG 23 1HH1 ARG 23 -4.108 4.192 -6.428
172 HH12 ARG 23 2HH1 ARG 23 -5.741 4.264 -7.005
173 HH21 ARG 23 1HH2 ARG 23 -5.957 7.749 -6.821
174 HH22 ARG 23 2HH2 ARG 23 -6.791 6.288 -7.229
175 H GLY 24 HN GLY 24 -4.083 3.681 -0.815
176 HA2 GLY 24 1HA GLY 24 -6.844 4.499 -0.250
177 HA3 GLY 24 2HA GLY 24 -6.218 2.860 -0.157
178 H CYS 25 HN CYS 25 -3.832 4.339 1.280
179 HA CYS 25 HA CYS 25 -5.141 4.459 3.918
180 HB2 CYS 25 2HB CYS 25 -2.491 3.204 3.184
181 HB3 CYS 25 3HB CYS 25 -2.993 3.519 4.842
182 H ASN 26 HN ASN 26 -2.638 5.670 1.791
183 HA ASN 26 HA ASN 26 -1.712 7.769 1.700
184 HB2 ASN 26 2HB ASN 26 -2.706 8.543 4.405
185 HB3 ASN 26 3HB ASN 26 -2.565 9.512 2.941
186 HD21 ASN 26 1HD2 ASN 26 -3.933 7.902 1.155
187 HD22 ASN 26 2HD2 ASN 26 -5.600 7.857 1.603
188 H HIS 27 HN HIS 27 -0.705 5.320 3.134
189 HA HIS 27 HA HIS 27 1.346 6.651 4.780
190 HB2 HIS 27 2HB HIS 27 0.122 3.904 5.052
191 HB3 HIS 27 3HB HIS 27 1.605 4.376 5.878
192 HD1 HIS 27 1HD HIS 27 1.302 6.549 7.511
193 HD2 HIS 27 2HD HIS 27 -2.142 4.496 6.421
194 HE1 HIS 27 1HE HIS 27 -0.448 7.234 9.183
195 H LEU 28 HN LEU 28 3.468 5.538 4.794
196 HA LEU 28 HA LEU 28 4.305 5.012 2.102
197 HB2 LEU 28 2HB LEU 28 5.687 5.160 4.754
198 HB3 LEU 28 3HB LEU 28 6.534 4.547 3.335
199 HG LEU 28 HG LEU 28 5.359 7.307 3.659
200 HD11 LEU 28 1HD1 LEU 28 7.401 8.050 4.226
201 HD12 LEU 28 2HD1 LEU 28 8.225 6.926 3.147
202 HD13 LEU 28 3HD1 LEU 28 7.666 6.380 4.728
203 HD21 LEU 28 1HD2 LEU 28 5.397 7.473 1.449
204 HD22 LEU 28 2HD2 LEU 28 5.961 5.808 1.310
205 HD23 LEU 28 3HD2 LEU 28 7.125 7.125 1.462
206 H VAL 29 HN VAL 29 5.208 3.117 1.275
207 HA VAL 29 HA VAL 29 5.226 0.700 2.861
208 HB VAL 29 HB VAL 29 3.751 0.015 0.514
209 HG11 VAL 29 1HG1 VAL 29 2.679 0.003 3.314
210 HG12 VAL 29 2HG1 VAL 29 2.406 -1.159 2.014
211 HG13 VAL 29 3HG1 VAL 29 3.971 -1.094 2.826
212 HG21 VAL 29 1HG2 VAL 29 3.000 2.390 0.637
213 HG22 VAL 29 2HG2 VAL 29 1.699 1.213 0.819
214 HG23 VAL 29 3HG2 VAL 29 2.337 2.046 2.236
215 H CYS 30 HN CYS 30 7.054 -0.271 2.316
216 HA CYS 30 HA CYS 30 8.699 0.365 0.200
217 HB2 CYS 30 2HB CYS 30 9.917 -1.661 0.677
218 HB3 CYS 30 3HB CYS 30 9.345 -0.985 2.198
219 H ARG 31 HN ARG 31 9.431 -1.432 -1.455
220 HA ARG 31 HA ARG 31 7.155 -1.837 -3.193
221 HB2 ARG 31 2HB ARG 31 8.800 -2.497 -4.866
222 HB3 ARG 31 3HB ARG 31 9.277 -0.989 -4.097
223 HG2 ARG 31 2HG ARG 31 10.904 -2.142 -2.742
224 HG3 ARG 31 3HG ARG 31 10.370 -3.700 -3.377
225 HD2 ARG 31 2HD ARG 31 11.214 -3.227 -5.526
226 HD3 ARG 31 3HD ARG 31 11.403 -1.513 -5.159
227 HE ARG 31 HE ARG 31 13.067 -2.654 -3.391
228 HH11 ARG 31 1HH1 ARG 31 12.649 -3.096 -6.818
229 HH12 ARG 31 2HH1 ARG 31 14.307 -3.510 -7.100
230 HH21 ARG 31 1HH2 ARG 31 15.254 -3.199 -3.748
231 HH22 ARG 31 2HH2 ARG 31 15.787 -3.570 -5.353
232 H ASP 32 HN ASP 32 7.576 -3.438 -0.676
233 HA ASP 32 HA ASP 32 7.376 -6.098 -1.927
234 HB2 ASP 32 2HB ASP 32 9.504 -5.762 -0.620
235 HB3 ASP 32 3HB ASP 32 8.512 -5.568 0.823
236 H CYS 33 HN CYS 33 5.902 -3.713 -0.084
237 HA CYS 33 HA CYS 33 4.009 -5.631 1.102
238 HB2 CYS 33 2HB CYS 33 4.768 -2.819 1.885
239 HB3 CYS 33 3HB CYS 33 3.326 -3.612 2.512
240 H ARG 34 HN ARG 34 4.258 -4.152 -1.653
241 HA ARG 34 HA ARG 34 1.550 -3.012 -1.699
242 HB2 ARG 34 2HB ARG 34 2.997 -2.692 -4.173
243 HB3 ARG 34 3HB ARG 34 2.339 -1.464 -3.102
244 HG2 ARG 34 2HG ARG 34 4.353 -1.527 -1.751
245 HG3 ARG 34 3HG ARG 34 5.010 -2.812 -2.768
246 HD2 ARG 34 2HD ARG 34 4.180 -0.173 -3.926
247 HD3 ARG 34 3HD ARG 34 5.773 -0.394 -3.203
248 HE ARG 34 HE ARG 34 5.195 -2.419 -5.120
249 HH11 ARG 34 1HH1 ARG 34 6.210 0.893 -4.777
250 HH12 ARG 34 2HH1 ARG 34 7.066 0.923 -6.283
251 HH21 ARG 34 1HH2 ARG 34 6.319 -2.392 -7.104
252 HH22 ARG 34 2HH2 ARG 34 7.127 -0.947 -7.607
253 H ILE 35 HN ILE 35 0.013 -3.730 -3.157
254 HA ILE 35 HA ILE 35 0.627 -6.300 -4.461
255 HB ILE 35 HB ILE 35 -1.779 -5.339 -2.996
256 HG12 ILE 35 2HG1 ILE 35 -1.793 -7.845 -2.440
257 HG13 ILE 35 3HG1 ILE 35 -0.230 -7.913 -3.246
258 HG21 ILE 35 1HG2 ILE 35 -1.838 -6.872 -5.534
259 HG22 ILE 35 2HG2 ILE 35 -2.917 -7.388 -4.240
260 HG23 ILE 35 3HG2 ILE 35 -3.014 -5.741 -4.864
261 HD11 ILE 35 1HD1 ILE 35 -0.524 -5.832 -1.187
262 HD12 ILE 35 2HD1 ILE 35 -0.533 -7.503 -0.621
263 HD13 ILE 35 3HD1 ILE 35 0.835 -6.894 -1.551
264 H GLN 36 HN GLN 36 1.182 -5.601 -6.487
265 HA GLN 36 HA GLN 36 0.263 -3.566 -8.006
266 HB2 GLN 36 2HB GLN 36 0.486 -6.223 -9.351
267 HB3 GLN 36 3HB GLN 36 1.100 -4.657 -9.863
268 HG2 GLN 36 2HG GLN 36 3.043 -5.700 -9.289
269 HG3 GLN 36 3HG GLN 36 2.639 -4.917 -7.763
270 HE21 GLN 36 1HE2 GLN 36 0.398 -6.906 -7.448
271 HE22 GLN 36 2HE2 GLN 36 1.173 -8.333 -6.862
272 H GLU 37 HN GLU 37 -1.733 -2.878 -8.376
273 HA GLU 37 HA GLU 37 -3.974 -4.703 -8.363
274 HB2 GLU 37 2HB GLU 37 -3.901 -1.725 -8.879
275 HB3 GLU 37 3HB GLU 37 -5.346 -2.688 -8.605
276 HG2 GLU 37 2HG GLU 37 -3.405 -3.006 -6.479
277 HG3 GLU 37 3HG GLU 37 -3.885 -1.324 -6.702
278 H SER 38 HN SER 38 -1.897 -3.287 -10.684
279 HA SER 38 HA SER 38 -1.800 -3.392 -12.955
280 HB2 SER 38 2HB SER 38 -3.229 -5.766 -12.136
281 HB3 SER 38 3HB SER 38 -3.819 -5.203 -13.700
282 HG SER 38 HG SER 38 -2.073 -6.535 -14.063
283 H ASN 39 HN ASN 39 -4.151 -2.005 -11.338
284 HA ASN 39 HA ASN 39 -5.837 -1.397 -13.667
285 HB2 ASN 39 2HB ASN 39 -6.946 -2.198 -11.563
286 HB3 ASN 39 3HB ASN 39 -6.372 -0.735 -10.766
287 HD21 ASN 39 1HD2 ASN 39 -8.049 0.544 -10.476
288 HD22 ASN 39 2HD2 ASN 39 -9.238 0.942 -11.663
289 H GLY 40 HN GLY 40 -3.132 -0.310 -13.167
290 HA2 GLY 40 1HA GLY 40 -2.407 1.815 -13.981
291 HA3 GLY 40 2HA GLY 40 -3.876 2.527 -13.329
292 H THR 41 HN THR 41 -3.184 0.707 -10.870
293 HA THR 41 HA THR 41 -0.928 2.152 -9.755
294 HB THR 41 HB THR 41 -2.933 3.622 -9.365
295 HG1 THR 41 1HG THR 41 -2.423 3.275 -6.829
296 HG21 THR 41 1HG2 THR 41 -4.253 1.327 -8.778
297 HG22 THR 41 2HG2 THR 41 -4.774 2.929 -8.256
298 HG23 THR 41 3HG2 THR 41 -3.852 1.902 -7.160
299 H TRP 42 HN TRP 42 -1.451 1.565 -7.057
300 HA TRP 42 HA TRP 42 -1.897 -1.311 -6.912
301 HB2 TRP 42 2HB TRP 42 0.244 -1.709 -5.755
302 HB3 TRP 42 3HB TRP 42 0.490 -1.145 -7.405
303 HD1 TRP 42 1HD TRP 42 1.999 0.927 -7.715
304 HE1 TRP 42 1HE TRP 42 3.149 2.592 -6.124
305 HE3 TRP 42 3HE TRP 42 -0.184 -0.509 -3.320
306 HZ2 TRP 42 2HZ TRP 42 3.134 3.213 -3.371
307 HZ3 TRP 42 3HZ TRP 42 0.439 0.672 -1.253
308 HH2 TRP 42 2HH TRP 42 2.064 2.494 -1.279
309 H ARG 43 HN ARG 43 -1.893 -2.092 -4.637
310 HA ARG 43 HA ARG 43 -2.386 0.005 -2.657
311 HB2 ARG 43 2HB ARG 43 -4.332 -2.179 -3.403
312 HB3 ARG 43 3HB ARG 43 -4.437 -1.268 -1.903
313 HG2 ARG 43 2HG ARG 43 -4.228 0.422 -4.270
314 HG3 ARG 43 3HG ARG 43 -5.657 -0.614 -4.260
315 HD2 ARG 43 2HD ARG 43 -5.115 0.664 -1.690
316 HD3 ARG 43 3HD ARG 43 -5.427 1.808 -2.994
317 HE ARG 43 HE ARG 43 -7.305 -0.042 -1.808
318 HH11 ARG 43 1HH1 ARG 43 -6.570 2.022 -4.514
319 HH12 ARG 43 2HH1 ARG 43 -8.223 2.181 -5.009
320 HH21 ARG 43 1HH2 ARG 43 -9.484 0.158 -2.451
321 HH22 ARG 43 2HH2 ARG 43 -9.880 1.120 -3.835
322 H CYS 44 HN CYS 44 -1.605 -0.475 -0.692
323 HA CYS 44 HA CYS 44 0.206 -2.430 -0.185
324 HB2 CYS 44 2HB CYS 44 -0.003 -1.950 2.125
325 HB3 CYS 44 3HB CYS 44 -0.439 -0.459 1.294
326 H LYS 45 HN LYS 45 0.045 -4.286 1.384
327 HA LYS 45 HA LYS 45 -1.729 -6.233 0.359
328 HB2 LYS 45 2HB LYS 45 -0.467 -6.678 3.012
329 HB3 LYS 45 3HB LYS 45 -0.554 -7.744 1.616
330 HG2 LYS 45 2HG LYS 45 1.096 -6.106 0.522
331 HG3 LYS 45 3HG LYS 45 1.367 -5.515 2.163
332 HD2 LYS 45 2HD LYS 45 3.007 -7.126 1.973
333 HD3 LYS 45 3HD LYS 45 1.696 -8.045 2.716
334 HE2 LYS 45 2HE LYS 45 1.107 -8.404 0.115
335 HE3 LYS 45 3HE LYS 45 2.859 -8.233 0.008
336 HZ1 LYS 45 1HZ LYS 45 2.762 -10.435 0.420
337 HZ2 LYS 45 2HZ LYS 45 1.270 -10.354 1.212
338 HZ3 LYS 45 3HZ LYS 45 2.687 -9.925 2.030
339 H VAL 46 HN VAL 46 -2.054 -3.897 2.835
340 HA VAL 46 HA VAL 46 -4.105 -5.305 4.304
341 HB VAL 46 HB VAL 46 -3.521 -2.362 4.517
342 HG11 VAL 46 1HG1 VAL 46 -5.345 -2.789 5.845
343 HG12 VAL 46 2HG1 VAL 46 -4.831 -4.437 6.209
344 HG13 VAL 46 3HG1 VAL 46 -4.033 -3.072 6.989
345 HG21 VAL 46 1HG2 VAL 46 -2.047 -4.583 5.928
346 HG22 VAL 46 2HG2 VAL 46 -1.391 -3.599 4.620
347 HG23 VAL 46 3HG2 VAL 46 -1.809 -2.852 6.160
348 H CYS 47 HN CYS 47 -3.931 -3.210 1.583
349 HA CYS 47 HA CYS 47 -6.783 -2.567 1.735
350 HB2 CYS 47 2HB CYS 47 -4.487 -1.507 0.119
351 HB3 CYS 47 3HB CYS 47 -6.142 -1.241 -0.418
352 H ALA 48 HN ALA 48 -4.449 -3.912 -0.597
353 HA ALA 48 HA ALA 48 -6.446 -4.814 -2.409
354 HB1 ALA 48 1HB ALA 48 -4.722 -5.272 -3.754
355 HB2 ALA 48 2HB ALA 48 -3.727 -4.491 -2.523
356 HB3 ALA 48 3HB ALA 48 -3.908 -6.245 -2.528
357 H LYS 49 HN LYS 49 -5.478 -5.950 0.594
358 HA LYS 49 HA LYS 49 -6.849 -8.493 0.116
359 HB2 LYS 49 2HB LYS 49 -4.116 -8.412 0.270
360 HB3 LYS 49 3HB LYS 49 -4.558 -8.713 1.946
361 HG2 LYS 49 2HG LYS 49 -4.276 -10.834 1.033
362 HG3 LYS 49 3HG LYS 49 -6.025 -10.596 1.035
363 HD2 LYS 49 2HD LYS 49 -5.964 -11.154 -1.127
364 HD3 LYS 49 3HD LYS 49 -5.234 -9.571 -1.406
365 HE2 LYS 49 2HE LYS 49 -3.701 -10.952 -2.418
366 HE3 LYS 49 3HE LYS 49 -3.018 -10.818 -0.798
367 HZ1 LYS 49 1HZ LYS 49 -4.863 -12.957 -0.905
368 HZ2 LYS 49 2HZ LYS 49 -3.215 -12.994 -0.529
369 HZ3 LYS 49 3HZ LYS 49 -3.717 -13.134 -2.138
370 H GLU 50 HN GLU 50 -8.129 -9.153 1.773
371 HA GLU 50 HA GLU 50 -7.892 -7.794 4.358
372 HB2 GLU 50 2HB GLU 50 -9.879 -7.190 2.445
373 HB3 GLU 50 3HB GLU 50 -10.671 -8.126 3.705
374 HG2 GLU 50 2HG GLU 50 -9.986 -6.571 5.385
375 HG3 GLU 50 3HG GLU 50 -8.978 -5.697 4.232
376 H ILE 51 HN ILE 51 -8.736 -8.943 6.120
377 HA ILE 51 HA ILE 51 -9.256 -11.786 5.555
378 HB ILE 51 HB ILE 51 -8.674 -11.729 8.216
379 HG12 ILE 51 2HG1 ILE 51 -6.706 -9.821 6.956
380 HG13 ILE 51 3HG1 ILE 51 -8.094 -9.261 7.883
381 HG21 ILE 51 1HG2 ILE 51 -7.789 -13.149 6.282
382 HG22 ILE 51 2HG2 ILE 51 -6.506 -11.947 6.154
383 HG23 ILE 51 3HG2 ILE 51 -6.709 -12.864 7.646
384 HD11 ILE 51 1HD1 ILE 51 -7.195 -10.772 9.748
385 HD12 ILE 51 2HD1 ILE 51 -5.695 -10.779 8.819
386 HD13 ILE 51 3HD1 ILE 51 -6.357 -9.257 9.416
387 H GLU 52 HN GLU 52 -10.391 -8.943 7.231
388 HA GLU 52 HA GLU 52 -13.030 -9.977 7.437
389 HB2 GLU 52 2HB GLU 52 -11.601 -10.990 9.417
390 HB3 GLU 52 3HB GLU 52 -11.885 -9.412 10.136
391 HG2 GLU 52 2HG GLU 52 -13.920 -10.006 10.753
392 HG3 GLU 52 3HG GLU 52 -14.342 -10.437 9.097
393 H LEU 53 HN LEU 53 -12.124 -7.741 6.219
394 HA LEU 53 HA LEU 53 -12.863 -5.579 5.976
395 HB2 LEU 53 2HB LEU 53 -14.585 -6.426 7.814
396 HB3 LEU 53 3HB LEU 53 -13.656 -5.322 8.825
397 HG LEU 53 HG LEU 53 -14.150 -3.610 6.913
398 HD11 LEU 53 1HD1 LEU 53 -16.433 -5.549 6.566
399 HD12 LEU 53 2HD1 LEU 53 -15.141 -5.279 5.398
400 HD13 LEU 53 3HD1 LEU 53 -16.259 -3.974 5.791
401 HD21 LEU 53 1HD2 LEU 53 -15.788 -2.720 8.242
402 HD22 LEU 53 2HD2 LEU 53 -15.055 -3.862 9.369
403 HD23 LEU 53 3HD2 LEU 53 -16.553 -4.282 8.538
Start of MODEL 14
1 H1 SER 1 HN SER 1 8.161 12.128 11.881
2 HA SER 1 HA SER 1 7.787 10.154 10.650
3 HB2 SER 1 2HB SER 1 6.688 12.147 8.809
4 HB3 SER 1 3HB SER 1 7.555 10.851 7.986
5 HG SER 1 HG SER 1 6.020 9.508 8.506
6 H ASP 2 HN ASP 2 9.418 8.942 9.818
7 HA ASP 2 HA ASP 2 11.780 10.408 8.841
8 HB2 ASP 2 2HB ASP 2 11.488 8.058 10.661
9 HB3 ASP 2 3HB ASP 2 12.921 8.159 9.642
10 H ARG 3 HN ARG 3 9.308 8.562 7.790
11 HA ARG 3 HA ARG 3 8.962 7.663 5.699
12 HB2 ARG 3 2HB ARG 3 11.914 7.446 5.216
13 HB3 ARG 3 3HB ARG 3 10.614 7.660 4.053
14 HG2 ARG 3 2HG ARG 3 10.642 9.899 5.812
15 HG3 ARG 3 3HG ARG 3 12.276 9.624 5.202
16 HD2 ARG 3 2HD ARG 3 11.681 10.027 3.029
17 HD3 ARG 3 3HD ARG 3 10.014 9.507 3.275
18 HE ARG 3 HE ARG 3 10.100 11.748 4.730
19 HH11 ARG 3 1HH1 ARG 3 11.188 11.058 1.496
20 HH12 ARG 3 2HH1 ARG 3 10.921 12.671 0.922
21 HH21 ARG 3 1HH2 ARG 3 9.744 13.876 3.986
22 HH22 ARG 3 2HH2 ARG 3 10.100 14.273 2.340
23 H THR 4 HN THR 4 8.425 5.980 7.408
24 HA THR 4 HA THR 4 10.087 3.587 6.956
25 HB THR 4 HB THR 4 8.488 3.349 9.344
26 HG1 THR 4 1HG THR 4 8.941 5.155 10.349
27 HG21 THR 4 1HG2 THR 4 10.360 1.919 8.952
28 HG22 THR 4 2HG2 THR 4 10.762 2.934 10.337
29 HG23 THR 4 3HG2 THR 4 11.443 3.294 8.751
30 H CYS 5 HN CYS 5 9.061 1.726 6.387
31 HA CYS 5 HA CYS 5 6.663 1.756 5.060
32 HB2 CYS 5 2HB CYS 5 8.398 -0.078 5.043
33 HB3 CYS 5 3HB CYS 5 7.709 -0.650 6.559
34 H ALA 6 HN ALA 6 4.555 0.986 5.542
35 HA ALA 6 HA ALA 6 3.771 1.514 8.311
36 HB1 ALA 6 1HB ALA 6 1.442 1.167 6.896
37 HB2 ALA 6 2HB ALA 6 2.227 2.712 7.230
38 HB3 ALA 6 3HB ALA 6 2.526 1.883 5.703
39 H ARG 7 HN ARG 7 4.710 -1.098 6.652
40 HA ARG 7 HA ARG 7 2.839 -2.873 8.079
41 HB2 ARG 7 2HB ARG 7 4.251 -3.718 5.568
42 HB3 ARG 7 3HB ARG 7 2.797 -4.386 6.299
43 HG2 ARG 7 2HG ARG 7 3.036 -1.741 4.882
44 HG3 ARG 7 3HG ARG 7 2.241 -3.195 4.277
45 HD2 ARG 7 2HD ARG 7 1.373 -1.298 6.408
46 HD3 ARG 7 3HD ARG 7 0.449 -1.986 5.074
47 HE ARG 7 HE ARG 7 0.929 -4.153 6.552
48 HH11 ARG 7 1HH1 ARG 7 -0.187 -0.979 7.442
49 HH12 ARG 7 2HH1 ARG 7 -1.116 -1.541 8.793
50 HH21 ARG 7 1HH2 ARG 7 -0.290 -4.907 8.328
51 HH22 ARG 7 2HH2 ARG 7 -1.173 -3.775 9.296
52 H CYS 8 HN CYS 8 6.129 -2.407 6.881
53 HA CYS 8 HA CYS 8 7.068 -4.577 8.617
54 HB2 CYS 8 2HB CYS 8 8.700 -3.036 6.600
55 HB3 CYS 8 3HB CYS 8 9.083 -4.587 7.340
56 H GLN 9 HN GLN 9 7.030 -1.147 8.291
57 HA GLN 9 HA GLN 9 7.713 0.521 9.684
58 HB2 GLN 9 2HB GLN 9 7.675 -1.840 11.383
59 HB3 GLN 9 3HB GLN 9 8.898 -0.685 11.892
60 HG2 GLN 9 2HG GLN 9 7.383 0.815 12.593
61 HG3 GLN 9 3HG GLN 9 6.269 0.467 11.272
62 HE21 GLN 9 1HE2 GLN 9 4.776 -1.201 11.497
63 HE22 GLN 9 2HE2 GLN 9 4.383 -1.879 13.037
64 H GLU 10 HN GLU 10 9.475 -0.731 7.710
65 HA GLU 10 HA GLU 10 12.116 -0.356 8.928
66 HB2 GLU 10 2HB GLU 10 11.098 -1.820 6.555
67 HB3 GLU 10 3HB GLU 10 12.707 -1.125 6.426
68 HG2 GLU 10 2HG GLU 10 13.105 -2.303 8.709
69 HG3 GLU 10 3HG GLU 10 11.714 -3.276 8.235
70 H SER 11 HN SER 11 13.670 1.026 7.970
71 HA SER 11 HA SER 11 12.754 3.555 7.263
72 HB2 SER 11 2HB SER 11 15.226 3.724 6.309
73 HB3 SER 11 3HB SER 11 14.921 3.625 8.043
74 HG SER 11 HG SER 11 16.116 1.907 7.987
75 H LEU 12 HN LEU 12 12.646 4.687 5.323
76 HA LEU 12 HA LEU 12 12.365 2.988 2.945
77 HB2 LEU 12 2HB LEU 12 11.163 5.611 3.755
78 HB3 LEU 12 3HB LEU 12 11.173 5.102 2.068
79 HG LEU 12 HG LEU 12 9.163 4.613 3.827
80 HD11 LEU 12 1HD1 LEU 12 9.594 2.549 1.756
81 HD12 LEU 12 2HD1 LEU 12 9.588 4.229 1.219
82 HD13 LEU 12 3HD1 LEU 12 8.192 3.570 2.070
83 HD21 LEU 12 1HD2 LEU 12 10.647 3.079 5.105
84 HD22 LEU 12 2HD2 LEU 12 10.751 2.055 3.672
85 HD23 LEU 12 3HD2 LEU 12 9.197 2.302 4.468
86 H GLY 13 HN GLY 13 14.916 4.067 4.007
87 HA2 GLY 13 1HA GLY 13 16.057 6.208 2.900
88 HA3 GLY 13 2HA GLY 13 16.870 4.650 2.883
89 H ARG 14 HN ARG 14 16.854 3.399 0.995
90 HA ARG 14 HA ARG 14 16.601 4.962 -1.426
91 HB2 ARG 14 2HB ARG 14 18.143 2.723 -0.575
92 HB3 ARG 14 3HB ARG 14 17.219 2.238 -1.990
93 HG2 ARG 14 2HG ARG 14 18.603 3.331 -3.325
94 HG3 ARG 14 3HG ARG 14 18.357 4.828 -2.424
95 HD2 ARG 14 2HD ARG 14 19.981 3.546 -0.721
96 HD3 ARG 14 3HD ARG 14 20.522 2.823 -2.235
97 HE ARG 14 HE ARG 14 21.625 4.767 -2.640
98 HH11 ARG 14 1HH1 ARG 14 18.880 5.477 -0.619
99 HH12 ARG 14 2HH1 ARG 14 19.238 7.169 -0.504
100 HH21 ARG 14 1HH2 ARG 14 22.106 6.992 -2.497
101 HH22 ARG 14 2HH2 ARG 14 21.072 8.029 -1.573
102 H LEU 15 HN LEU 15 14.237 3.926 0.200
103 HA LEU 15 HA LEU 15 12.921 2.028 -1.495
104 HB2 LEU 15 2HB LEU 15 12.334 3.475 0.988
105 HB3 LEU 15 3HB LEU 15 10.925 3.158 -0.023
106 HG LEU 15 HG LEU 15 11.261 1.445 1.711
107 HD11 LEU 15 1HD1 LEU 15 10.783 -0.388 0.345
108 HD12 LEU 15 2HD1 LEU 15 11.799 0.207 -0.966
109 HD13 LEU 15 3HD1 LEU 15 10.271 1.007 -0.605
110 HD21 LEU 15 1HD2 LEU 15 13.362 0.879 2.193
111 HD22 LEU 15 2HD2 LEU 15 13.968 1.517 0.663
112 HD23 LEU 15 3HD2 LEU 15 13.319 -0.122 0.741
113 H SER 16 HN SER 16 12.855 5.526 -1.092
114 HA SER 16 HA SER 16 12.262 7.133 -2.631
115 HB2 SER 16 2HB SER 16 12.493 5.000 -4.279
116 HB3 SER 16 3HB SER 16 10.763 5.308 -4.420
117 HG SER 16 HG SER 16 11.199 7.003 -5.572
118 HA PRO 17 HA PRO 17 8.161 6.784 -0.506
119 HB2 PRO 17 2HB PRO 17 8.403 9.134 0.833
120 HB3 PRO 17 3HB PRO 17 9.044 7.607 1.449
121 HG2 PRO 17 2HG PRO 17 10.469 9.822 0.027
122 HG3 PRO 17 3HG PRO 17 10.985 8.888 1.443
123 HD2 PRO 17 2HD PRO 17 11.899 8.374 -1.053
124 HD3 PRO 17 3HD PRO 17 11.685 7.102 0.167
125 H LYS 18 HN LYS 18 9.546 8.591 -2.906
126 HA LYS 18 HA LYS 18 7.772 10.776 -3.158
127 HB2 LYS 18 2HB LYS 18 9.990 9.717 -4.581
128 HB3 LYS 18 3HB LYS 18 8.675 9.913 -5.732
129 HG2 LYS 18 2HG LYS 18 8.728 12.165 -5.619
130 HG3 LYS 18 3HG LYS 18 9.157 12.180 -3.906
131 HD2 LYS 18 2HD LYS 18 11.232 12.693 -4.535
132 HD3 LYS 18 3HD LYS 18 11.362 11.051 -5.172
133 HE2 LYS 18 2HE LYS 18 10.645 13.579 -6.631
134 HE3 LYS 18 3HE LYS 18 11.973 12.465 -6.951
135 HZ1 LYS 18 1HZ LYS 18 10.632 11.580 -8.469
136 HZ2 LYS 18 2HZ LYS 18 9.265 12.379 -7.874
137 HZ3 LYS 18 3HZ LYS 18 9.753 10.913 -7.187
138 H THR 19 HN THR 19 7.611 7.436 -4.190
139 HA THR 19 HA THR 19 4.842 7.898 -5.057
140 HB THR 19 HB THR 19 5.298 7.356 -7.166
141 HG1 THR 19 1HG THR 19 5.864 5.189 -7.613
142 HG21 THR 19 1HG2 THR 19 8.100 6.576 -6.360
143 HG22 THR 19 2HG2 THR 19 7.585 8.232 -6.681
144 HG23 THR 19 3HG2 THR 19 7.540 7.029 -7.969
145 H ASN 20 HN ASN 20 6.817 6.379 -2.958
146 HA ASN 20 HA ASN 20 5.506 3.791 -2.949
147 HB2 ASN 20 2HB ASN 20 7.759 5.037 -1.421
148 HB3 ASN 20 3HB ASN 20 6.953 3.619 -0.758
149 HD21 ASN 20 1HD2 ASN 20 9.304 2.947 -1.086
150 HD22 ASN 20 2HD2 ASN 20 9.659 2.155 -2.580
151 H THR 21 HN THR 21 3.642 5.762 -2.623
152 HA THR 21 HA THR 21 2.882 5.449 0.206
153 HB THR 21 HB THR 21 2.273 7.843 -1.539
154 HG1 THR 21 1HG THR 21 4.271 8.287 -0.915
155 HG21 THR 21 1HG2 THR 21 0.512 7.339 0.102
156 HG22 THR 21 2HG2 THR 21 1.363 8.832 0.496
157 HG23 THR 21 3HG2 THR 21 1.717 7.354 1.389
158 H CYS 22 HN CYS 22 1.364 3.901 0.157
159 HA CYS 22 HA CYS 22 -0.287 3.142 -1.889
160 HB2 CYS 22 2HB CYS 22 -0.024 1.949 0.284
161 HB3 CYS 22 3HB CYS 22 -1.059 3.160 1.036
162 H ARG 23 HN ARG 23 -1.981 3.978 -2.920
163 HA ARG 23 HA ARG 23 -2.948 6.586 -2.198
164 HB2 ARG 23 2HB ARG 23 -4.437 5.128 -4.264
165 HB3 ARG 23 3HB ARG 23 -3.675 6.712 -4.329
166 HG2 ARG 23 2HG ARG 23 -1.468 5.287 -4.389
167 HG3 ARG 23 3HG ARG 23 -2.560 4.039 -4.995
168 HD2 ARG 23 2HD ARG 23 -1.832 5.079 -6.938
169 HD3 ARG 23 3HD ARG 23 -3.376 5.871 -6.622
170 HE ARG 23 HE ARG 23 -2.240 7.831 -6.428
171 HH11 ARG 23 1HH1 ARG 23 -0.034 5.218 -5.772
172 HH12 ARG 23 2HH1 ARG 23 1.344 6.253 -5.594
173 HH21 ARG 23 1HH2 ARG 23 -0.432 9.204 -6.197
174 HH22 ARG 23 2HH2 ARG 23 1.116 8.521 -5.836
175 H GLY 24 HN GLY 24 -3.607 3.718 -0.888
176 HA2 GLY 24 1HA GLY 24 -6.515 4.097 -0.720
177 HA3 GLY 24 2HA GLY 24 -5.638 2.654 -0.236
178 H CYS 25 HN CYS 25 -3.730 3.579 1.440
179 HA CYS 25 HA CYS 25 -5.334 4.671 3.647
180 HB2 CYS 25 2HB CYS 25 -3.382 3.724 5.042
181 HB3 CYS 25 3HB CYS 25 -4.510 2.581 4.318
182 H ASN 26 HN ASN 26 -2.703 5.342 1.568
183 HA ASN 26 HA ASN 26 -1.493 7.264 1.294
184 HB2 ASN 26 2HB ASN 26 -3.627 8.170 2.734
185 HB3 ASN 26 3HB ASN 26 -2.293 8.563 3.815
186 HD21 ASN 26 1HD2 ASN 26 -3.221 8.799 0.403
187 HD22 ASN 26 2HD2 ASN 26 -2.519 10.357 0.143
188 H HIS 27 HN HIS 27 -0.794 4.901 3.013
189 HA HIS 27 HA HIS 27 1.245 6.150 4.726
190 HB2 HIS 27 2HB HIS 27 0.089 3.356 4.777
191 HB3 HIS 27 3HB HIS 27 1.395 3.914 5.819
192 HD1 HIS 27 1HD HIS 27 0.266 6.639 6.670
193 HD2 HIS 27 2HD HIS 27 -1.959 3.133 6.552
194 HE1 HIS 27 1HE HIS 27 -1.646 7.003 8.262
195 H LEU 28 HN LEU 28 3.372 5.135 4.787
196 HA LEU 28 HA LEU 28 4.363 4.657 2.147
197 HB2 LEU 28 2HB LEU 28 5.598 4.725 4.877
198 HB3 LEU 28 3HB LEU 28 6.526 4.194 3.475
199 HG LEU 28 HG LEU 28 5.272 6.913 3.852
200 HD11 LEU 28 1HD1 LEU 28 7.451 6.093 5.113
201 HD12 LEU 28 2HD1 LEU 28 7.315 7.720 4.447
202 HD13 LEU 28 3HD1 LEU 28 8.192 6.474 3.559
203 HD21 LEU 28 1HD2 LEU 28 6.411 5.529 1.518
204 HD22 LEU 28 2HD2 LEU 28 7.004 7.167 1.794
205 HD23 LEU 28 3HD2 LEU 28 5.275 6.876 1.601
206 H VAL 29 HN VAL 29 5.144 2.789 1.247
207 HA VAL 29 HA VAL 29 5.133 0.326 2.799
208 HB VAL 29 HB VAL 29 3.842 -0.267 0.315
209 HG11 VAL 29 1HG1 VAL 29 3.908 -1.470 2.596
210 HG12 VAL 29 2HG1 VAL 29 2.556 -0.419 3.016
211 HG13 VAL 29 3HG1 VAL 29 2.420 -1.529 1.652
212 HG21 VAL 29 1HG2 VAL 29 3.099 2.145 0.604
213 HG22 VAL 29 2HG2 VAL 29 1.822 0.941 0.430
214 HG23 VAL 29 3HG2 VAL 29 2.210 1.593 2.022
215 H CYS 30 HN CYS 30 7.026 -0.585 2.384
216 HA CYS 30 HA CYS 30 8.843 0.088 0.458
217 HB2 CYS 30 2HB CYS 30 9.888 -2.117 0.838
218 HB3 CYS 30 3HB CYS 30 9.409 -1.346 2.346
219 H ARG 31 HN ARG 31 9.688 -1.529 -1.277
220 HA ARG 31 HA ARG 31 7.591 -1.771 -3.236
221 HB2 ARG 31 2HB ARG 31 10.412 -2.763 -3.574
222 HB3 ARG 31 3HB ARG 31 9.298 -2.185 -4.806
223 HG2 ARG 31 2HG ARG 31 9.620 -0.038 -3.060
224 HG3 ARG 31 3HG ARG 31 11.232 -0.731 -3.251
225 HD2 ARG 31 2HD ARG 31 9.430 0.490 -5.290
226 HD3 ARG 31 3HD ARG 31 11.152 0.749 -5.014
227 HE ARG 31 HE ARG 31 9.950 -1.242 -6.692
228 HH11 ARG 31 1HH1 ARG 31 12.748 -0.440 -4.782
229 HH12 ARG 31 2HH1 ARG 31 13.812 -1.483 -5.665
230 HH21 ARG 31 1HH2 ARG 31 11.341 -2.618 -7.863
231 HH22 ARG 31 2HH2 ARG 31 13.011 -2.720 -7.420
232 H ASP 32 HN ASP 32 8.047 -3.608 -0.732
233 HA ASP 32 HA ASP 32 7.677 -6.141 -2.195
234 HB2 ASP 32 2HB ASP 32 9.752 -6.154 -0.888
235 HB3 ASP 32 3HB ASP 32 8.849 -5.735 0.565
236 H CYS 33 HN CYS 33 6.202 -3.823 -0.307
237 HA CYS 33 HA CYS 33 4.235 -5.729 0.769
238 HB2 CYS 33 2HB CYS 33 5.014 -2.938 1.591
239 HB3 CYS 33 3HB CYS 33 3.503 -3.666 2.123
240 H ARG 34 HN ARG 34 4.656 -4.071 -1.930
241 HA ARG 34 HA ARG 34 1.982 -2.907 -2.102
242 HB2 ARG 34 2HB ARG 34 3.817 -2.916 -4.442
243 HB3 ARG 34 3HB ARG 34 2.734 -1.655 -3.867
244 HG2 ARG 34 2HG ARG 34 4.275 -1.084 -2.098
245 HG3 ARG 34 3HG ARG 34 5.338 -2.414 -2.562
246 HD2 ARG 34 2HD ARG 34 4.598 -0.172 -4.429
247 HD3 ARG 34 3HD ARG 34 6.012 -0.119 -3.375
248 HE ARG 34 HE ARG 34 6.129 -2.498 -4.813
249 HH11 ARG 34 1HH1 ARG 34 6.242 0.929 -5.418
250 HH12 ARG 34 2HH1 ARG 34 7.244 0.779 -6.823
251 HH21 ARG 34 1HH2 ARG 34 7.449 -2.708 -6.661
252 HH22 ARG 34 2HH2 ARG 34 7.930 -1.289 -7.530
253 H ILE 35 HN ILE 35 0.371 -3.691 -3.378
254 HA ILE 35 HA ILE 35 0.896 -6.255 -4.733
255 HB ILE 35 HB ILE 35 -1.453 -5.334 -3.122
256 HG12 ILE 35 2HG1 ILE 35 -1.220 -7.835 -2.438
257 HG13 ILE 35 3HG1 ILE 35 0.356 -7.731 -3.215
258 HG21 ILE 35 1HG2 ILE 35 -2.646 -5.956 -5.001
259 HG22 ILE 35 2HG2 ILE 35 -1.486 -7.204 -5.452
260 HG23 ILE 35 3HG2 ILE 35 -2.576 -7.464 -4.090
261 HD11 ILE 35 1HD1 ILE 35 1.219 -6.403 -1.593
262 HD12 ILE 35 2HD1 ILE 35 -0.333 -5.649 -1.226
263 HD13 ILE 35 3HD1 ILE 35 0.019 -7.274 -0.637
264 H GLN 36 HN GLN 36 1.196 -5.595 -6.810
265 HA GLN 36 HA GLN 36 0.225 -3.565 -8.252
266 HB2 GLN 36 2HB GLN 36 0.008 -6.252 -9.539
267 HB3 GLN 36 3HB GLN 36 0.683 -4.760 -10.177
268 HG2 GLN 36 2HG GLN 36 2.587 -5.964 -9.853
269 HG3 GLN 36 3HG GLN 36 2.472 -5.136 -8.300
270 HE21 GLN 36 1HE2 GLN 36 0.135 -6.903 -7.624
271 HE22 GLN 36 2HE2 GLN 36 0.853 -8.395 -7.130
272 H GLU 37 HN GLU 37 -1.624 -2.942 -9.303
273 HA GLU 37 HA GLU 37 -4.021 -4.591 -8.849
274 HB2 GLU 37 2HB GLU 37 -3.768 -1.590 -8.603
275 HB3 GLU 37 3HB GLU 37 -5.296 -2.460 -8.588
276 HG2 GLU 37 2HG GLU 37 -3.228 -3.313 -6.651
277 HG3 GLU 37 3HG GLU 37 -4.022 -1.764 -6.369
278 H SER 38 HN SER 38 -5.905 -3.539 -10.251
279 HA SER 38 HA SER 38 -4.887 -3.552 -12.993
280 HB2 SER 38 2HB SER 38 -7.691 -3.544 -13.061
281 HB3 SER 38 3HB SER 38 -6.629 -4.932 -13.292
282 HG SER 38 HG SER 38 -8.210 -5.201 -11.604
283 H ASN 39 HN ASN 39 -5.943 -1.373 -10.662
284 HA ASN 39 HA ASN 39 -7.153 0.524 -12.476
285 HB2 ASN 39 2HB ASN 39 -6.383 0.714 -9.557
286 HB3 ASN 39 3HB ASN 39 -7.173 2.010 -10.451
287 HD21 ASN 39 1HD2 ASN 39 -7.703 -0.459 -8.394
288 HD22 ASN 39 2HD2 ASN 39 -9.358 -0.799 -8.750
289 H GLY 40 HN GLY 40 -4.523 -0.240 -13.213
290 HA2 GLY 40 1HA GLY 40 -2.521 0.671 -13.872
291 HA3 GLY 40 2HA GLY 40 -3.379 2.205 -13.852
292 H THR 41 HN THR 41 -3.083 0.358 -10.933
293 HA THR 41 HA THR 41 -0.754 1.845 -10.032
294 HB THR 41 HB THR 41 -2.748 3.311 -9.563
295 HG1 THR 41 1HG THR 41 -0.911 3.573 -8.297
296 HG21 THR 41 1HG2 THR 41 -3.414 1.195 -7.516
297 HG22 THR 41 2HG2 THR 41 -4.302 1.437 -9.021
298 HG23 THR 41 3HG2 THR 41 -4.272 2.709 -7.801
299 H TRP 42 HN TRP 42 -1.094 1.354 -7.284
300 HA TRP 42 HA TRP 42 -1.424 -1.543 -7.056
301 HB2 TRP 42 2HB TRP 42 0.734 -1.774 -5.889
302 HB3 TRP 42 3HB TRP 42 0.949 -1.226 -7.549
303 HD1 TRP 42 1HD TRP 42 2.244 0.993 -7.905
304 HE1 TRP 42 1HE TRP 42 3.302 2.738 -6.337
305 HE3 TRP 42 3HE TRP 42 0.320 -0.640 -3.459
306 HZ2 TRP 42 2HZ TRP 42 3.319 3.342 -3.580
307 HZ3 TRP 42 3HZ TRP 42 0.906 0.578 -1.403
308 HH2 TRP 42 2HH TRP 42 2.376 2.527 -1.464
309 H ARG 43 HN ARG 43 -1.439 -2.277 -4.786
310 HA ARG 43 HA ARG 43 -2.034 -0.174 -2.839
311 HB2 ARG 43 2HB ARG 43 -3.896 -2.366 -3.708
312 HB3 ARG 43 3HB ARG 43 -4.006 -1.679 -2.093
313 HG2 ARG 43 2HG ARG 43 -3.894 0.464 -3.947
314 HG3 ARG 43 3HG ARG 43 -5.096 -0.697 -4.516
315 HD2 ARG 43 2HD ARG 43 -5.073 0.087 -1.638
316 HD3 ARG 43 3HD ARG 43 -5.752 1.198 -2.826
317 HE ARG 43 HE ARG 43 -6.883 -1.289 -3.302
318 HH11 ARG 43 1HH1 ARG 43 -6.806 1.072 -0.746
319 HH12 ARG 43 2HH1 ARG 43 -8.376 0.659 -0.140
320 HH21 ARG 43 1HH2 ARG 43 -8.951 -1.842 -2.514
321 HH22 ARG 43 2HH2 ARG 43 -9.594 -1.000 -1.145
322 H CYS 44 HN CYS 44 -1.547 -0.691 -0.735
323 HA CYS 44 HA CYS 44 0.440 -2.539 -0.213
324 HB2 CYS 44 2HB CYS 44 0.022 -2.137 2.147
325 HB3 CYS 44 3HB CYS 44 -0.122 -0.626 1.254
326 H LYS 45 HN LYS 45 0.291 -4.368 1.403
327 HA LYS 45 HA LYS 45 -1.457 -6.362 0.372
328 HB2 LYS 45 2HB LYS 45 -0.136 -6.867 2.967
329 HB3 LYS 45 3HB LYS 45 -0.161 -7.845 1.506
330 HG2 LYS 45 2HG LYS 45 1.407 -6.047 0.537
331 HG3 LYS 45 3HG LYS 45 1.649 -5.575 2.221
332 HD2 LYS 45 2HD LYS 45 3.347 -7.092 1.986
333 HD3 LYS 45 3HD LYS 45 2.054 -8.164 2.528
334 HE2 LYS 45 2HE LYS 45 1.548 -8.527 0.057
335 HE3 LYS 45 3HE LYS 45 3.100 -7.755 -0.260
336 HZ1 LYS 45 1HZ LYS 45 2.906 -10.335 0.011
337 HZ2 LYS 45 2HZ LYS 45 3.012 -9.968 1.659
338 HZ3 LYS 45 3HZ LYS 45 4.253 -9.502 0.608
339 H VAL 46 HN VAL 46 -1.927 -3.939 2.630
340 HA VAL 46 HA VAL 46 -3.894 -5.448 4.184
341 HB VAL 46 HB VAL 46 -3.128 -2.558 4.570
342 HG11 VAL 46 1HG1 VAL 46 -3.765 -3.493 7.004
343 HG12 VAL 46 2HG1 VAL 46 -4.944 -2.780 5.901
344 HG13 VAL 46 3HG1 VAL 46 -4.785 -4.533 6.010
345 HG21 VAL 46 1HG2 VAL 46 -1.925 -4.215 6.532
346 HG22 VAL 46 2HG2 VAL 46 -1.487 -4.850 4.945
347 HG23 VAL 46 3HG2 VAL 46 -1.140 -3.168 5.349
348 H CYS 47 HN CYS 47 -3.684 -3.270 1.557
349 HA CYS 47 HA CYS 47 -6.513 -2.527 1.798
350 HB2 CYS 47 2HB CYS 47 -4.229 -1.409 0.183
351 HB3 CYS 47 3HB CYS 47 -5.902 -0.998 -0.178
352 H ALA 48 HN ALA 48 -4.238 -4.278 -0.196
353 HA ALA 48 HA ALA 48 -6.151 -4.760 -2.307
354 HB1 ALA 48 1HB ALA 48 -3.455 -6.035 -1.872
355 HB2 ALA 48 2HB ALA 48 -4.409 -6.052 -3.356
356 HB3 ALA 48 3HB ALA 48 -3.730 -4.537 -2.760
357 H LYS 49 HN LYS 49 -5.232 -6.236 0.657
358 HA LYS 49 HA LYS 49 -7.033 -8.479 0.080
359 HB2 LYS 49 2HB LYS 49 -4.185 -8.630 0.613
360 HB3 LYS 49 3HB LYS 49 -5.109 -9.526 1.812
361 HG2 LYS 49 2HG LYS 49 -5.669 -11.132 0.360
362 HG3 LYS 49 3HG LYS 49 -5.960 -9.986 -0.950
363 HD2 LYS 49 2HD LYS 49 -3.429 -9.754 -1.094
364 HD3 LYS 49 3HD LYS 49 -3.348 -11.180 -0.058
365 HE2 LYS 49 2HE LYS 49 -4.175 -10.925 -2.890
366 HE3 LYS 49 3HE LYS 49 -3.286 -12.215 -2.081
367 HZ1 LYS 49 1HZ LYS 49 -6.210 -11.724 -1.943
368 HZ2 LYS 49 2HZ LYS 49 -5.394 -12.892 -1.031
369 HZ3 LYS 49 3HZ LYS 49 -5.436 -13.014 -2.718
370 H GLU 50 HN GLU 50 -8.566 -8.664 1.572
371 HA GLU 50 HA GLU 50 -8.524 -7.031 3.926
372 HB2 GLU 50 2HB GLU 50 -10.466 -8.762 2.541
373 HB3 GLU 50 3HB GLU 50 -10.659 -8.679 4.287
374 HG2 GLU 50 2HG GLU 50 -12.049 -7.011 3.359
375 HG3 GLU 50 3HG GLU 50 -10.668 -6.185 4.078
376 H ILE 51 HN ILE 51 -6.605 -7.925 4.928
377 HA ILE 51 HA ILE 51 -6.997 -10.565 6.155
378 HB ILE 51 HB ILE 51 -4.879 -10.127 4.873
379 HG12 ILE 51 2HG1 ILE 51 -3.528 -10.720 7.224
380 HG13 ILE 51 3HG1 ILE 51 -5.183 -11.213 7.564
381 HG21 ILE 51 1HG2 ILE 51 -4.856 -7.747 6.210
382 HG22 ILE 51 2HG2 ILE 51 -3.660 -8.683 7.105
383 HG23 ILE 51 3HG2 ILE 51 -3.476 -8.451 5.366
384 HD11 ILE 51 1HD1 ILE 51 -3.350 -12.201 5.410
385 HD12 ILE 51 2HD1 ILE 51 -4.126 -13.113 6.705
386 HD13 ILE 51 3HD1 ILE 51 -5.090 -12.482 5.370
387 H GLU 52 HN GLU 52 -7.077 -7.235 6.824
388 HA GLU 52 HA GLU 52 -7.176 -7.811 9.706
389 HB2 GLU 52 2HB GLU 52 -5.144 -6.383 8.539
390 HB3 GLU 52 3HB GLU 52 -6.260 -5.110 9.013
391 HG2 GLU 52 2HG GLU 52 -6.042 -5.566 11.258
392 HG3 GLU 52 3HG GLU 52 -5.518 -7.225 10.978
393 H LEU 53 HN LEU 53 -8.818 -6.871 10.815
394 HA LEU 53 HA LEU 53 -10.785 -5.396 9.225
395 HB2 LEU 53 2HB LEU 53 -11.071 -6.661 11.945
396 HB3 LEU 53 3HB LEU 53 -12.367 -5.949 10.985
397 HG LEU 53 HG LEU 53 -10.801 -8.254 9.898
398 HD11 LEU 53 1HD1 LEU 53 -13.135 -9.292 11.034
399 HD12 LEU 53 2HD1 LEU 53 -12.385 -8.314 12.296
400 HD13 LEU 53 3HD1 LEU 53 -11.469 -9.608 11.522
401 HD21 LEU 53 1HD2 LEU 53 -13.728 -7.844 9.585
402 HD22 LEU 53 2HD2 LEU 53 -12.547 -8.494 8.448
403 HD23 LEU 53 3HD2 LEU 53 -12.636 -6.755 8.730
Start of MODEL 15
1 H1 SER 1 HN SER 1 7.972 8.430 10.336
2 HA SER 1 HA SER 1 7.901 10.949 10.590
3 HB2 SER 1 2HB SER 1 9.673 10.280 12.949
4 HB3 SER 1 3HB SER 1 9.150 11.883 12.434
5 HG SER 1 HG SER 1 7.652 11.488 13.885
6 H ASP 2 HN ASP 2 10.003 8.299 10.414
7 HA ASP 2 HA ASP 2 12.108 9.932 9.163
8 HB2 ASP 2 2HB ASP 2 12.280 7.106 10.231
9 HB3 ASP 2 3HB ASP 2 13.611 8.030 9.540
10 H ARG 3 HN ARG 3 9.464 8.242 8.330
11 HA ARG 3 HA ARG 3 8.721 7.625 6.243
12 HB2 ARG 3 2HB ARG 3 11.533 7.557 5.195
13 HB3 ARG 3 3HB ARG 3 10.037 7.876 4.327
14 HG2 ARG 3 2HG ARG 3 10.368 9.869 6.334
15 HG3 ARG 3 3HG ARG 3 11.865 9.729 5.412
16 HD2 ARG 3 2HD ARG 3 10.323 9.775 3.342
17 HD3 ARG 3 3HD ARG 3 9.110 10.413 4.452
18 HE ARG 3 HE ARG 3 11.382 11.800 3.393
19 HH11 ARG 3 1HH1 ARG 3 9.172 11.606 6.077
20 HH12 ARG 3 2HH1 ARG 3 9.384 13.262 6.540
21 HH21 ARG 3 1HH2 ARG 3 11.669 13.983 3.993
22 HH22 ARG 3 2HH2 ARG 3 10.803 14.614 5.354
23 H THR 4 HN THR 4 8.601 5.719 7.858
24 HA THR 4 HA THR 4 10.173 3.461 6.805
25 HB THR 4 HB THR 4 8.789 2.868 9.281
26 HG1 THR 4 1HG THR 4 9.124 5.078 9.728
27 HG21 THR 4 1HG2 THR 4 11.076 2.212 9.973
28 HG22 THR 4 2HG2 THR 4 11.699 2.904 8.475
29 HG23 THR 4 3HG2 THR 4 10.607 1.520 8.421
30 H CYS 5 HN CYS 5 9.133 1.554 6.255
31 HA CYS 5 HA CYS 5 6.737 1.617 4.979
32 HB2 CYS 5 2HB CYS 5 8.456 -0.275 5.064
33 HB3 CYS 5 3HB CYS 5 7.612 -0.830 6.506
34 H ALA 6 HN ALA 6 4.599 0.969 5.454
35 HA ALA 6 HA ALA 6 3.839 1.476 8.237
36 HB1 ALA 6 1HB ALA 6 2.837 2.832 6.386
37 HB2 ALA 6 2HB ALA 6 2.027 1.365 5.835
38 HB3 ALA 6 3HB ALA 6 1.666 2.027 7.429
39 H ARG 7 HN ARG 7 4.780 -1.133 6.818
40 HA ARG 7 HA ARG 7 2.760 -2.822 8.106
41 HB2 ARG 7 2HB ARG 7 3.924 -3.413 5.380
42 HB3 ARG 7 3HB ARG 7 2.744 -4.383 6.251
43 HG2 ARG 7 2HG ARG 7 2.235 -1.555 5.367
44 HG3 ARG 7 3HG ARG 7 1.819 -2.973 4.404
45 HD2 ARG 7 2HD ARG 7 0.741 -2.178 7.098
46 HD3 ARG 7 3HD ARG 7 -0.142 -2.337 5.581
47 HE ARG 7 HE ARG 7 0.769 -4.825 5.937
48 HH11 ARG 7 1HH1 ARG 7 -0.817 -2.619 8.115
49 HH12 ARG 7 2HH1 ARG 7 -1.574 -3.872 9.041
50 HH21 ARG 7 1HH2 ARG 7 -0.223 -6.484 7.149
51 HH22 ARG 7 2HH2 ARG 7 -1.234 -6.070 8.491
52 H CYS 8 HN CYS 8 6.007 -2.501 6.771
53 HA CYS 8 HA CYS 8 6.887 -4.688 8.541
54 HB2 CYS 8 2HB CYS 8 8.703 -5.117 7.010
55 HB3 CYS 8 3HB CYS 8 7.195 -5.111 6.102
56 H GLN 9 HN GLN 9 6.873 -1.400 8.187
57 HA GLN 9 HA GLN 9 8.104 0.329 9.021
58 HB2 GLN 9 2HB GLN 9 8.209 -1.835 11.035
59 HB3 GLN 9 3HB GLN 9 9.376 -0.535 11.243
60 HG2 GLN 9 2HG GLN 9 6.622 0.331 10.707
61 HG3 GLN 9 3HG GLN 9 6.867 -0.515 12.234
62 HE21 GLN 9 1HE2 GLN 9 7.057 2.421 10.642
63 HE22 GLN 9 2HE2 GLN 9 7.961 3.300 11.821
64 H GLU 10 HN GLU 10 9.420 -0.431 6.936
65 HA GLU 10 HA GLU 10 12.206 -0.896 7.771
66 HB2 GLU 10 2HB GLU 10 10.689 -1.614 5.289
67 HB3 GLU 10 3HB GLU 10 12.432 -1.398 5.210
68 HG2 GLU 10 2HG GLU 10 12.716 -3.111 6.933
69 HG3 GLU 10 3HG GLU 10 10.969 -3.335 6.990
70 H SER 11 HN SER 11 13.875 0.288 6.663
71 HA SER 11 HA SER 11 13.323 3.049 6.470
72 HB2 SER 11 2HB SER 11 15.737 2.909 5.308
73 HB3 SER 11 3HB SER 11 15.516 2.757 7.051
74 HG SER 11 HG SER 11 16.805 1.068 6.228
75 H LEU 12 HN LEU 12 12.694 4.273 4.814
76 HA LEU 12 HA LEU 12 12.342 3.007 2.207
77 HB2 LEU 12 2HB LEU 12 11.255 5.497 3.481
78 HB3 LEU 12 3HB LEU 12 11.110 5.215 1.747
79 HG LEU 12 HG LEU 12 9.127 4.616 3.278
80 HD11 LEU 12 1HD1 LEU 12 10.290 2.816 1.175
81 HD12 LEU 12 2HD1 LEU 12 9.011 4.019 1.013
82 HD13 LEU 12 3HD1 LEU 12 8.706 2.523 1.895
83 HD21 LEU 12 1HD2 LEU 12 10.675 2.069 3.644
84 HD22 LEU 12 2HD2 LEU 12 9.162 2.559 4.405
85 HD23 LEU 12 3HD2 LEU 12 10.673 3.347 4.859
86 H GLY 13 HN GLY 13 14.854 4.371 3.555
87 HA2 GLY 13 1HA GLY 13 15.774 6.576 2.343
88 HA3 GLY 13 2HA GLY 13 16.793 5.159 2.546
89 H ARG 14 HN ARG 14 17.171 3.791 0.796
90 HA ARG 14 HA ARG 14 16.976 5.069 -1.771
91 HB2 ARG 14 2HB ARG 14 18.392 3.355 -2.572
92 HB3 ARG 14 3HB ARG 14 18.939 3.686 -0.934
93 HG2 ARG 14 2HG ARG 14 18.647 1.568 -0.371
94 HG3 ARG 14 3HG ARG 14 16.952 1.639 -0.856
95 HD2 ARG 14 2HD ARG 14 17.344 0.637 -2.835
96 HD3 ARG 14 3HD ARG 14 18.879 1.474 -3.069
97 HE ARG 14 HE ARG 14 19.906 -0.404 -2.306
98 HH11 ARG 14 1HH1 ARG 14 16.696 -0.300 -0.964
99 HH12 ARG 14 2HH1 ARG 14 16.850 -1.818 -0.142
100 HH21 ARG 14 1HH2 ARG 14 20.121 -2.403 -1.230
101 HH22 ARG 14 2HH2 ARG 14 18.798 -3.013 -0.295
102 H LEU 15 HN LEU 15 14.429 4.698 -0.939
103 HA LEU 15 HA LEU 15 13.472 2.578 -2.740
104 HB2 LEU 15 2HB LEU 15 13.223 2.027 -0.292
105 HB3 LEU 15 3HB LEU 15 12.096 3.378 -0.185
106 HG LEU 15 HG LEU 15 10.430 2.252 -1.266
107 HD11 LEU 15 1HD1 LEU 15 11.509 1.874 -3.353
108 HD12 LEU 15 2HD1 LEU 15 10.852 0.332 -2.810
109 HD13 LEU 15 3HD1 LEU 15 12.577 0.660 -2.649
110 HD21 LEU 15 1HD2 LEU 15 10.397 0.850 0.495
111 HD22 LEU 15 2HD2 LEU 15 12.106 0.440 0.339
112 HD23 LEU 15 3HD2 LEU 15 10.911 -0.342 -0.698
113 H SER 16 HN SER 16 13.590 5.814 -2.074
114 HA SER 16 HA SER 16 12.441 7.652 -2.774
115 HB2 SER 16 2HB SER 16 11.685 5.653 -4.907
116 HB3 SER 16 3HB SER 16 11.213 7.350 -4.986
117 HG SER 16 HG SER 16 13.895 6.803 -4.494
118 HA PRO 17 HA PRO 17 8.573 6.286 -0.642
119 HB2 PRO 17 2HB PRO 17 8.623 8.281 1.198
120 HB3 PRO 17 3HB PRO 17 9.493 6.757 1.410
121 HG2 PRO 17 2HG PRO 17 10.522 9.412 0.487
122 HG3 PRO 17 3HG PRO 17 11.253 8.260 1.619
123 HD2 PRO 17 2HD PRO 17 12.035 8.456 -0.966
124 HD3 PRO 17 3HD PRO 17 12.072 6.923 -0.072
125 H LYS 18 HN LYS 18 9.537 8.757 -2.616
126 HA LYS 18 HA LYS 18 7.337 10.565 -2.257
127 HB2 LYS 18 2HB LYS 18 8.750 10.554 -4.850
128 HB3 LYS 18 3HB LYS 18 8.394 11.892 -3.766
129 HG2 LYS 18 2HG LYS 18 10.682 9.960 -3.662
130 HG3 LYS 18 3HG LYS 18 10.723 11.721 -3.775
131 HD2 LYS 18 2HD LYS 18 9.330 11.267 -1.439
132 HD3 LYS 18 3HD LYS 18 10.559 9.999 -1.430
133 HE2 LYS 18 2HE LYS 18 10.986 12.974 -1.647
134 HE3 LYS 18 3HE LYS 18 11.460 11.916 -0.319
135 HZ1 LYS 18 1HZ LYS 18 13.334 12.474 -1.746
136 HZ2 LYS 18 2HZ LYS 18 12.547 11.796 -3.080
137 HZ3 LYS 18 3HZ LYS 18 13.017 10.812 -1.786
138 H THR 19 HN THR 19 7.388 7.504 -3.346
139 HA THR 19 HA THR 19 4.915 7.856 -4.820
140 HB THR 19 HB THR 19 5.581 7.235 -6.874
141 HG1 THR 19 1HG THR 19 6.102 5.166 -6.729
142 HG21 THR 19 1HG2 THR 19 7.174 8.992 -6.482
143 HG22 THR 19 2HG2 THR 19 7.976 7.715 -7.397
144 HG23 THR 19 3HG2 THR 19 8.270 7.877 -5.666
145 H ASN 20 HN ASN 20 6.183 6.520 -2.348
146 HA ASN 20 HA ASN 20 5.095 3.823 -2.827
147 HB2 ASN 20 2HB ASN 20 7.325 4.772 -1.038
148 HB3 ASN 20 3HB ASN 20 6.522 3.229 -0.767
149 HD21 ASN 20 1HD2 ASN 20 9.280 4.114 -1.692
150 HD22 ASN 20 2HD2 ASN 20 9.573 3.144 -3.091
151 H THR 21 HN THR 21 3.675 6.299 -2.029
152 HA THR 21 HA THR 21 2.807 5.581 0.685
153 HB THR 21 HB THR 21 2.142 8.094 -0.858
154 HG1 THR 21 1HG THR 21 4.416 7.861 -0.352
155 HG21 THR 21 1HG2 THR 21 0.550 8.063 0.781
156 HG22 THR 21 2HG2 THR 21 1.873 8.786 1.696
157 HG23 THR 21 3HG2 THR 21 1.525 7.065 1.860
158 H CYS 22 HN CYS 22 1.294 4.019 0.495
159 HA CYS 22 HA CYS 22 -0.424 3.383 -1.472
160 HB2 CYS 22 2HB CYS 22 -0.221 2.277 0.792
161 HB3 CYS 22 3HB CYS 22 -1.324 3.503 1.410
162 H ARG 23 HN ARG 23 -2.354 4.048 -2.315
163 HA ARG 23 HA ARG 23 -3.141 6.787 -1.676
164 HB2 ARG 23 2HB ARG 23 -3.918 6.967 -3.815
165 HB3 ARG 23 3HB ARG 23 -2.739 5.687 -4.066
166 HG2 ARG 23 2HG ARG 23 -4.455 4.012 -3.996
167 HG3 ARG 23 3HG ARG 23 -5.667 5.216 -3.553
168 HD2 ARG 23 2HD ARG 23 -5.003 6.376 -5.754
169 HD3 ARG 23 3HD ARG 23 -4.253 4.835 -6.171
170 HE ARG 23 HE ARG 23 -6.959 4.529 -5.311
171 HH11 ARG 23 1HH1 ARG 23 -4.945 5.371 -8.022
172 HH12 ARG 23 2HH1 ARG 23 -6.124 4.912 -9.207
173 HH21 ARG 23 1HH2 ARG 23 -8.518 3.920 -6.861
174 HH22 ARG 23 2HH2 ARG 23 -8.156 4.088 -8.545
175 H GLY 24 HN GLY 24 -3.930 3.858 -0.534
176 HA2 GLY 24 1HA GLY 24 -6.825 4.351 -0.431
177 HA3 GLY 24 2HA GLY 24 -6.028 2.837 -0.029
178 H CYS 25 HN CYS 25 -3.978 4.193 1.594
179 HA CYS 25 HA CYS 25 -5.654 4.951 3.899
180 HB2 CYS 25 2HB CYS 25 -3.717 3.934 5.267
181 HB3 CYS 25 3HB CYS 25 -4.847 2.832 4.487
182 H ASN 26 HN ASN 26 -2.844 5.580 1.978
183 HA ASN 26 HA ASN 26 -1.670 7.549 1.772
184 HB2 ASN 26 2HB ASN 26 -2.757 8.551 4.387
185 HB3 ASN 26 3HB ASN 26 -2.233 9.472 2.982
186 HD21 ASN 26 1HD2 ASN 26 -4.497 10.292 3.889
187 HD22 ASN 26 2HD2 ASN 26 -5.846 9.722 2.972
188 H HIS 27 HN HIS 27 -0.926 5.109 3.247
189 HA HIS 27 HA HIS 27 1.069 6.236 5.096
190 HB2 HIS 27 2HB HIS 27 -0.063 3.434 4.973
191 HB3 HIS 27 3HB HIS 27 1.190 3.970 6.088
192 HD1 HIS 27 1HD HIS 27 0.032 6.572 7.116
193 HD2 HIS 27 2HD HIS 27 -2.237 3.137 6.559
194 HE1 HIS 27 1HE HIS 27 -1.964 6.832 8.624
195 H LEU 28 HN LEU 28 3.171 5.098 5.149
196 HA LEU 28 HA LEU 28 4.186 4.796 2.479
197 HB2 LEU 28 2HB LEU 28 5.399 4.729 5.217
198 HB3 LEU 28 3HB LEU 28 6.334 4.244 3.804
199 HG LEU 28 HG LEU 28 5.221 6.962 4.456
200 HD11 LEU 28 1HD1 LEU 28 7.437 7.660 4.543
201 HD12 LEU 28 2HD1 LEU 28 8.020 6.250 3.659
202 HD13 LEU 28 3HD1 LEU 28 7.475 6.082 5.328
203 HD21 LEU 28 1HD2 LEU 28 4.810 7.131 2.249
204 HD22 LEU 28 2HD2 LEU 28 5.839 5.758 1.841
205 HD23 LEU 28 3HD2 LEU 28 6.558 7.340 2.142
206 H VAL 29 HN VAL 29 4.980 2.969 1.499
207 HA VAL 29 HA VAL 29 5.046 0.442 2.902
208 HB VAL 29 HB VAL 29 3.527 -0.129 0.576
209 HG11 VAL 29 1HG1 VAL 29 2.386 -1.470 2.001
210 HG12 VAL 29 2HG1 VAL 29 3.751 -1.107 3.059
211 HG13 VAL 29 3HG1 VAL 29 2.236 -0.219 3.233
212 HG21 VAL 29 1HG2 VAL 29 1.468 1.074 0.977
213 HG22 VAL 29 2HG2 VAL 29 2.195 1.927 2.339
214 HG23 VAL 29 3HG2 VAL 29 2.778 2.222 0.701
215 H CYS 30 HN CYS 30 6.951 -0.324 2.278
216 HA CYS 30 HA CYS 30 8.469 0.436 0.121
217 HB2 CYS 30 2HB CYS 30 9.783 -1.567 0.466
218 HB3 CYS 30 3HB CYS 30 9.272 -0.941 2.030
219 H ARG 31 HN ARG 31 9.224 -1.341 -1.589
220 HA ARG 31 HA ARG 31 6.919 -1.734 -3.291
221 HB2 ARG 31 2HB ARG 31 8.592 -2.439 -4.977
222 HB3 ARG 31 3HB ARG 31 8.938 -0.857 -4.294
223 HG2 ARG 31 2HG ARG 31 10.584 -1.927 -2.779
224 HG3 ARG 31 3HG ARG 31 10.293 -3.456 -3.613
225 HD2 ARG 31 2HD ARG 31 11.344 -2.766 -5.531
226 HD3 ARG 31 3HD ARG 31 10.998 -1.063 -5.236
227 HE ARG 31 HE ARG 31 12.731 -1.749 -3.249
228 HH11 ARG 31 1HH1 ARG 31 12.784 -1.949 -6.724
229 HH12 ARG 31 2HH1 ARG 31 14.504 -1.774 -6.838
230 HH21 ARG 31 1HH2 ARG 31 14.996 -1.518 -3.385
231 HH22 ARG 31 2HH2 ARG 31 15.761 -1.529 -4.939
232 H ASP 32 HN ASP 32 7.444 -3.385 -0.809
233 HA ASP 32 HA ASP 32 7.242 -6.022 -2.108
234 HB2 ASP 32 2HB ASP 32 9.341 -5.436 -0.617
235 HB3 ASP 32 3HB ASP 32 8.228 -5.786 0.704
236 H CYS 33 HN CYS 33 5.962 -3.752 0.145
237 HA CYS 33 HA CYS 33 4.045 -5.695 1.201
238 HB2 CYS 33 2HB CYS 33 4.750 -2.868 1.983
239 HB3 CYS 33 3HB CYS 33 3.351 -3.706 2.644
240 H ARG 34 HN ARG 34 4.190 -4.195 -1.549
241 HA ARG 34 HA ARG 34 1.453 -3.122 -1.520
242 HB2 ARG 34 2HB ARG 34 2.925 -2.777 -4.008
243 HB3 ARG 34 3HB ARG 34 2.118 -1.579 -3.005
244 HG2 ARG 34 2HG ARG 34 4.062 -1.428 -1.568
245 HG3 ARG 34 3HG ARG 34 4.868 -2.694 -2.497
246 HD2 ARG 34 2HD ARG 34 3.922 -0.117 -3.726
247 HD3 ARG 34 3HD ARG 34 5.531 -0.308 -3.030
248 HE ARG 34 HE ARG 34 5.341 -2.379 -4.770
249 HH11 ARG 34 1HH1 ARG 34 4.862 1.058 -5.051
250 HH12 ARG 34 2HH1 ARG 34 5.347 1.122 -6.713
251 HH21 ARG 34 1HH2 ARG 34 5.981 -2.307 -6.958
252 HH22 ARG 34 2HH2 ARG 34 5.982 -0.794 -7.797
253 H ILE 35 HN ILE 35 -0.007 -3.707 -3.215
254 HA ILE 35 HA ILE 35 0.580 -6.346 -4.393
255 HB ILE 35 HB ILE 35 -1.900 -5.277 -3.119
256 HG12 ILE 35 2HG1 ILE 35 -1.964 -7.722 -2.372
257 HG13 ILE 35 3HG1 ILE 35 -0.361 -7.870 -3.083
258 HG21 ILE 35 1HG2 ILE 35 -2.885 -5.785 -5.153
259 HG22 ILE 35 2HG2 ILE 35 -1.783 -7.125 -5.466
260 HG23 ILE 35 3HG2 ILE 35 -3.057 -7.295 -4.258
261 HD11 ILE 35 1HD1 ILE 35 -0.837 -5.681 -1.138
262 HD12 ILE 35 2HD1 ILE 35 -0.695 -7.333 -0.536
263 HD13 ILE 35 3HD1 ILE 35 0.623 -6.614 -1.461
264 H GLN 36 HN GLN 36 1.036 -6.023 -6.478
265 HA GLN 36 HA GLN 36 0.329 -3.888 -8.072
266 HB2 GLN 36 2HB GLN 36 1.391 -6.572 -8.495
267 HB3 GLN 36 3HB GLN 36 0.432 -6.003 -9.855
268 HG2 GLN 36 2HG GLN 36 2.912 -4.793 -8.683
269 HG3 GLN 36 3HG GLN 36 2.639 -5.374 -10.325
270 HE21 GLN 36 1HE2 GLN 36 0.126 -4.175 -10.741
271 HE22 GLN 36 2HE2 GLN 36 0.359 -2.468 -10.855
272 H GLU 37 HN GLU 37 -1.665 -3.153 -8.412
273 HA GLU 37 HA GLU 37 -3.951 -4.897 -8.449
274 HB2 GLU 37 2HB GLU 37 -3.653 -1.936 -8.963
275 HB3 GLU 37 3HB GLU 37 -5.196 -2.777 -8.974
276 HG2 GLU 37 2HG GLU 37 -3.321 -2.625 -6.625
277 HG3 GLU 37 3HG GLU 37 -4.755 -1.626 -6.854
278 H SER 38 HN SER 38 -1.824 -3.497 -10.784
279 HA SER 38 HA SER 38 -1.644 -3.760 -13.038
280 HB2 SER 38 2HB SER 38 -2.408 -6.153 -12.339
281 HB3 SER 38 3HB SER 38 -3.956 -5.679 -13.041
282 HG SER 38 HG SER 38 -1.592 -5.279 -14.502
283 H ASN 39 HN ASN 39 -3.994 -2.242 -11.540
284 HA ASN 39 HA ASN 39 -5.651 -1.716 -13.901
285 HB2 ASN 39 2HB ASN 39 -7.353 -1.091 -12.496
286 HB3 ASN 39 3HB ASN 39 -6.498 -2.195 -11.424
287 HD21 ASN 39 1HD2 ASN 39 -7.627 0.950 -11.883
288 HD22 ASN 39 2HD2 ASN 39 -6.906 1.677 -10.491
289 H GLY 40 HN GLY 40 -2.843 -0.634 -12.822
290 HA2 GLY 40 1HA GLY 40 -1.946 1.323 -14.002
291 HA3 GLY 40 2HA GLY 40 -3.435 2.158 -13.587
292 H THR 41 HN THR 41 -3.098 0.640 -10.876
293 HA THR 41 HA THR 41 -0.987 2.327 -9.734
294 HB THR 41 HB THR 41 -3.306 3.393 -9.501
295 HG1 THR 41 1HG THR 41 -1.626 4.093 -8.190
296 HG21 THR 41 1HG2 THR 41 -4.910 2.470 -8.171
297 HG22 THR 41 2HG2 THR 41 -3.739 1.635 -7.150
298 HG23 THR 41 3HG2 THR 41 -4.153 0.980 -8.734
299 H TRP 42 HN TRP 42 -1.657 1.693 -7.033
300 HA TRP 42 HA TRP 42 -1.643 -1.197 -6.822
301 HB2 TRP 42 2HB TRP 42 0.500 -1.268 -5.597
302 HB3 TRP 42 3HB TRP 42 0.710 -0.740 -7.264
303 HD1 TRP 42 1HD TRP 42 1.667 1.675 -7.668
304 HE1 TRP 42 1HE TRP 42 2.655 3.469 -6.110
305 HE3 TRP 42 3HE TRP 42 0.240 -0.284 -3.166
306 HZ2 TRP 42 2HZ TRP 42 2.810 3.985 -3.339
307 HZ3 TRP 42 3HZ TRP 42 0.847 0.922 -1.110
308 HH2 TRP 42 2HH TRP 42 2.107 3.012 -1.197
309 H ARG 43 HN ARG 43 -1.702 -1.930 -4.567
310 HA ARG 43 HA ARG 43 -2.376 0.115 -2.596
311 HB2 ARG 43 2HB ARG 43 -4.249 -2.024 -3.577
312 HB3 ARG 43 3HB ARG 43 -4.406 -1.346 -1.962
313 HG2 ARG 43 2HG ARG 43 -4.225 0.584 -4.189
314 HG3 ARG 43 3HG ARG 43 -5.697 -0.382 -4.089
315 HD2 ARG 43 2HD ARG 43 -5.152 0.468 -1.474
316 HD3 ARG 43 3HD ARG 43 -4.878 1.872 -2.504
317 HE ARG 43 HE ARG 43 -7.140 2.049 -2.612
318 HH11 ARG 43 1HH1 ARG 43 -6.330 -1.324 -2.313
319 HH12 ARG 43 2HH1 ARG 43 -7.976 -1.858 -2.364
320 HH21 ARG 43 1HH2 ARG 43 -9.313 1.357 -2.680
321 HH22 ARG 43 2HH2 ARG 43 -9.673 -0.332 -2.574
322 H CYS 44 HN CYS 44 -1.653 -0.380 -0.614
323 HA CYS 44 HA CYS 44 0.151 -2.359 -0.090
324 HB2 CYS 44 2HB CYS 44 -0.176 -1.923 2.262
325 HB3 CYS 44 3HB CYS 44 -0.335 -0.406 1.383
326 H LYS 45 HN LYS 45 -0.096 -4.168 1.561
327 HA LYS 45 HA LYS 45 -1.939 -6.075 0.528
328 HB2 LYS 45 2HB LYS 45 -0.616 -6.600 3.129
329 HB3 LYS 45 3HB LYS 45 -0.753 -7.627 1.708
330 HG2 LYS 45 2HG LYS 45 0.900 -5.926 0.647
331 HG3 LYS 45 3HG LYS 45 1.251 -5.504 2.325
332 HD2 LYS 45 2HD LYS 45 2.826 -7.152 1.830
333 HD3 LYS 45 3HD LYS 45 1.554 -8.037 2.675
334 HE2 LYS 45 2HE LYS 45 0.601 -8.602 0.415
335 HE3 LYS 45 3HE LYS 45 2.068 -7.925 -0.291
336 HZ1 LYS 45 1HZ LYS 45 3.234 -9.561 1.315
337 HZ2 LYS 45 2HZ LYS 45 2.579 -10.147 -0.130
338 HZ3 LYS 45 3HZ LYS 45 1.744 -10.362 1.326
339 H VAL 46 HN VAL 46 -2.365 -3.590 2.676
340 HA VAL 46 HA VAL 46 -4.364 -4.997 4.290
341 HB VAL 46 HB VAL 46 -3.508 -2.122 4.592
342 HG11 VAL 46 1HG1 VAL 46 -5.403 -3.848 5.914
343 HG12 VAL 46 2HG1 VAL 46 -4.196 -3.242 7.050
344 HG13 VAL 46 3HG1 VAL 46 -5.151 -2.111 6.090
345 HG21 VAL 46 1HG2 VAL 46 -1.950 -2.858 6.310
346 HG22 VAL 46 2HG2 VAL 46 -2.363 -4.542 5.986
347 HG23 VAL 46 3HG2 VAL 46 -1.541 -3.583 4.755
348 H CYS 47 HN CYS 47 -4.079 -2.890 1.608
349 HA CYS 47 HA CYS 47 -6.904 -2.107 1.804
350 HB2 CYS 47 2HB CYS 47 -4.578 -0.987 0.250
351 HB3 CYS 47 3HB CYS 47 -6.242 -0.563 -0.141
352 H ALA 48 HN ALA 48 -4.602 -3.894 -0.111
353 HA ALA 48 HA ALA 48 -6.496 -4.358 -2.261
354 HB1 ALA 48 1HB ALA 48 -4.693 -5.692 -3.263
355 HB2 ALA 48 2HB ALA 48 -4.155 -4.069 -2.829
356 HB3 ALA 48 3HB ALA 48 -3.719 -5.444 -1.814
357 H LYS 49 HN LYS 49 -5.579 -5.815 0.697
358 HA LYS 49 HA LYS 49 -7.240 -8.152 0.049
359 HB2 LYS 49 2HB LYS 49 -4.541 -8.138 1.390
360 HB3 LYS 49 3HB LYS 49 -5.665 -9.479 1.560
361 HG2 LYS 49 2HG LYS 49 -5.460 -10.106 -0.653
362 HG3 LYS 49 3HG LYS 49 -4.891 -8.513 -1.158
363 HD2 LYS 49 2HD LYS 49 -3.016 -9.974 -1.231
364 HD3 LYS 49 3HD LYS 49 -2.810 -8.946 0.189
365 HE2 LYS 49 2HE LYS 49 -4.277 -11.195 1.032
366 HE3 LYS 49 3HE LYS 49 -2.966 -11.805 0.022
367 HZ1 LYS 49 1HZ LYS 49 -2.862 -10.565 2.629
368 HZ2 LYS 49 2HZ LYS 49 -1.700 -9.992 1.542
369 HZ3 LYS 49 3HZ LYS 49 -1.783 -11.644 1.900
370 H GLU 50 HN GLU 50 -8.599 -6.319 1.180
371 HA GLU 50 HA GLU 50 -9.493 -7.285 3.607
372 HB2 GLU 50 2HB GLU 50 -7.903 -6.606 5.043
373 HB3 GLU 50 3HB GLU 50 -7.175 -5.529 3.860
374 HG2 GLU 50 2HG GLU 50 -7.956 -4.321 5.825
375 HG3 GLU 50 3HG GLU 50 -8.812 -3.817 4.369
376 H ILE 51 HN ILE 51 -8.847 -4.157 2.036
377 HA ILE 51 HA ILE 51 -10.203 -2.292 1.867
378 HB ILE 51 HB ILE 51 -10.744 -3.328 -0.173
379 HG12 ILE 51 2HG1 ILE 51 -12.956 -2.601 -0.587
380 HG13 ILE 51 3HG1 ILE 51 -13.475 -2.980 1.052
381 HG21 ILE 51 1HG2 ILE 51 -10.989 -5.606 0.666
382 HG22 ILE 51 2HG2 ILE 51 -12.561 -5.192 1.349
383 HG23 ILE 51 3HG2 ILE 51 -12.327 -5.175 -0.399
384 HD11 ILE 51 1HD1 ILE 51 -11.341 -0.972 0.837
385 HD12 ILE 51 2HD1 ILE 51 -12.910 -0.503 0.181
386 HD13 ILE 51 3HD1 ILE 51 -12.774 -1.011 1.864
387 H GLU 52 HN GLU 52 -10.673 -1.706 3.991
388 HA GLU 52 HA GLU 52 -12.873 -2.909 5.407
389 HB2 GLU 52 2HB GLU 52 -10.796 -1.934 6.483
390 HB3 GLU 52 3HB GLU 52 -11.441 -0.344 6.099
391 HG2 GLU 52 2HG GLU 52 -13.012 -0.434 7.715
392 HG3 GLU 52 3HG GLU 52 -13.248 -2.172 7.544
393 H LEU 53 HN LEU 53 -12.244 0.283 3.963
394 HA LEU 53 HA LEU 53 -14.856 1.281 4.455
395 HB2 LEU 53 2HB LEU 53 -12.547 2.138 2.767
396 HB3 LEU 53 3HB LEU 53 -14.112 2.919 2.564
397 HG LEU 53 HG LEU 53 -13.670 3.015 5.298
398 HD11 LEU 53 1HD1 LEU 53 -11.388 2.373 5.141
399 HD12 LEU 53 2HD1 LEU 53 -11.421 4.115 5.409
400 HD13 LEU 53 3HD1 LEU 53 -11.103 3.478 3.796
401 HD21 LEU 53 1HD2 LEU 53 -13.917 5.252 4.992
402 HD22 LEU 53 2HD2 LEU 53 -14.445 4.711 3.398
403 HD23 LEU 53 3HD2 LEU 53 -12.800 5.305 3.629
Start of MODEL 16
1 H1 SER 1 HN SER 1 10.101 12.153 12.329
2 HA SER 1 HA SER 1 8.600 10.012 11.047
3 HB2 SER 1 2HB SER 1 8.172 11.390 9.026
4 HB3 SER 1 3HB SER 1 7.312 11.990 10.444
5 HG SER 1 HG SER 1 8.247 13.753 9.531
6 H ASP 2 HN ASP 2 10.063 8.683 10.235
7 HA ASP 2 HA ASP 2 12.559 9.821 9.158
8 HB2 ASP 2 2HB ASP 2 12.042 7.382 10.808
9 HB3 ASP 2 3HB ASP 2 13.376 7.361 9.658
10 H ARG 3 HN ARG 3 9.717 8.293 8.365
11 HA ARG 3 HA ARG 3 8.972 7.627 6.292
12 HB2 ARG 3 2HB ARG 3 11.774 7.291 5.286
13 HB3 ARG 3 3HB ARG 3 10.320 7.722 4.398
14 HG2 ARG 3 2HG ARG 3 10.820 9.743 6.335
15 HG3 ARG 3 3HG ARG 3 12.311 9.427 5.445
16 HD2 ARG 3 2HD ARG 3 11.062 9.691 3.330
17 HD3 ARG 3 3HD ARG 3 9.618 10.091 4.260
18 HE ARG 3 HE ARG 3 11.570 11.844 5.101
19 HH11 ARG 3 1HH1 ARG 3 9.989 11.057 2.101
20 HH12 ARG 3 2HH1 ARG 3 10.148 12.654 1.447
21 HH21 ARG 3 1HH2 ARG 3 11.786 13.950 4.251
22 HH22 ARG 3 2HH2 ARG 3 11.170 14.298 2.672
23 H THR 4 HN THR 4 8.518 5.796 7.796
24 HA THR 4 HA THR 4 10.038 3.397 6.999
25 HB THR 4 HB THR 4 8.464 3.042 9.415
26 HG1 THR 4 1HG THR 4 10.688 4.712 9.820
27 HG21 THR 4 1HG2 THR 4 10.877 2.444 10.213
28 HG22 THR 4 2HG2 THR 4 11.274 2.580 8.499
29 HG23 THR 4 3HG2 THR 4 10.064 1.414 9.035
30 H CYS 5 HN CYS 5 8.910 1.577 6.396
31 HA CYS 5 HA CYS 5 6.513 1.826 5.075
32 HB2 CYS 5 2HB CYS 5 8.136 -0.091 4.910
33 HB3 CYS 5 3HB CYS 5 7.457 -0.716 6.411
34 H ALA 6 HN ALA 6 4.371 1.506 5.545
35 HA ALA 6 HA ALA 6 3.670 1.641 8.378
36 HB1 ALA 6 1HB ALA 6 1.888 2.025 5.977
37 HB2 ALA 6 2HB ALA 6 1.511 2.417 7.655
38 HB3 ALA 6 3HB ALA 6 2.760 3.321 6.798
39 H ARG 7 HN ARG 7 4.430 -0.843 6.730
40 HA ARG 7 HA ARG 7 2.163 -2.474 7.649
41 HB2 ARG 7 2HB ARG 7 3.702 -3.164 5.159
42 HB3 ARG 7 3HB ARG 7 2.146 -3.784 5.695
43 HG2 ARG 7 2HG ARG 7 2.648 -0.958 4.788
44 HG3 ARG 7 3HG ARG 7 1.977 -2.243 3.780
45 HD2 ARG 7 2HD ARG 7 -0.032 -2.229 4.862
46 HD3 ARG 7 3HD ARG 7 0.673 -1.712 6.393
47 HE ARG 7 HE ARG 7 0.708 0.274 4.292
48 HH11 ARG 7 1HH1 ARG 7 -1.010 -1.055 7.013
49 HH12 ARG 7 2HH1 ARG 7 -1.930 0.385 7.300
50 HH21 ARG 7 1HH2 ARG 7 -0.497 2.174 4.661
51 HH22 ARG 7 2HH2 ARG 7 -1.639 2.221 5.962
52 H CYS 8 HN CYS 8 5.592 -2.283 6.872
53 HA CYS 8 HA CYS 8 6.049 -4.624 8.605
54 HB2 CYS 8 2HB CYS 8 8.023 -5.147 7.304
55 HB3 CYS 8 3HB CYS 8 6.640 -5.016 6.221
56 H GLN 9 HN GLN 9 6.536 -1.311 8.173
57 HA GLN 9 HA GLN 9 7.689 0.269 9.332
58 HB2 GLN 9 2HB GLN 9 7.624 -2.029 11.235
59 HB3 GLN 9 3HB GLN 9 8.664 -0.661 11.613
60 HG2 GLN 9 2HG GLN 9 6.053 0.244 10.820
61 HG3 GLN 9 3HG GLN 9 5.938 -0.924 12.135
62 HE21 GLN 9 1HE2 GLN 9 8.186 1.686 11.271
63 HE22 GLN 9 2HE2 GLN 9 8.135 2.470 12.810
64 H GLU 10 HN GLU 10 9.122 -0.539 7.311
65 HA GLU 10 HA GLU 10 11.807 -1.127 8.372
66 HB2 GLU 10 2HB GLU 10 10.433 -1.897 5.838
67 HB3 GLU 10 3HB GLU 10 12.175 -1.656 5.803
68 HG2 GLU 10 2HG GLU 10 10.925 -3.429 7.859
69 HG3 GLU 10 3HG GLU 10 11.233 -4.018 6.227
70 H SER 11 HN SER 11 13.611 -0.104 7.206
71 HA SER 11 HA SER 11 13.220 2.696 6.994
72 HB2 SER 11 2HB SER 11 15.674 2.317 5.879
73 HB3 SER 11 3HB SER 11 15.379 2.385 7.616
74 HG SER 11 HG SER 11 16.028 0.234 6.008
75 H LEU 12 HN LEU 12 12.704 3.920 5.302
76 HA LEU 12 HA LEU 12 12.226 2.664 2.741
77 HB2 LEU 12 2HB LEU 12 11.686 5.380 3.888
78 HB3 LEU 12 3HB LEU 12 11.501 5.069 2.163
79 HG LEU 12 HG LEU 12 9.488 4.888 3.919
80 HD11 LEU 12 1HD1 LEU 12 8.514 4.545 1.959
81 HD12 LEU 12 2HD1 LEU 12 8.968 2.844 2.060
82 HD13 LEU 12 3HD1 LEU 12 10.036 3.996 1.257
83 HD21 LEU 12 1HD2 LEU 12 10.686 3.037 5.118
84 HD22 LEU 12 2HD2 LEU 12 10.450 2.045 3.679
85 HD23 LEU 12 3HD2 LEU 12 9.055 2.644 4.575
86 H GLY 13 HN GLY 13 15.002 3.122 3.799
87 HA2 GLY 13 1HA GLY 13 16.262 5.181 2.346
88 HA3 GLY 13 2HA GLY 13 17.054 3.747 2.985
89 H ARG 14 HN ARG 14 17.126 5.311 0.345
90 HA ARG 14 HA ARG 14 17.268 4.892 -1.897
91 HB2 ARG 14 2HB ARG 14 18.412 2.530 -0.508
92 HB3 ARG 14 3HB ARG 14 18.117 2.368 -2.234
93 HG2 ARG 14 2HG ARG 14 19.444 4.862 -1.579
94 HG3 ARG 14 3HG ARG 14 20.356 3.448 -1.046
95 HD2 ARG 14 2HD ARG 14 19.239 3.157 -3.723
96 HD3 ARG 14 3HD ARG 14 20.359 4.511 -3.582
97 HE ARG 14 HE ARG 14 21.059 1.799 -3.702
98 HH11 ARG 14 1HH1 ARG 14 21.838 4.683 -1.913
99 HH12 ARG 14 2HH1 ARG 14 23.462 4.187 -1.568
100 HH21 ARG 14 1HH2 ARG 14 23.195 1.136 -3.254
101 HH22 ARG 14 2HH2 ARG 14 24.233 2.170 -2.332
102 H LEU 15 HN LEU 15 14.702 4.861 -1.340
103 HA LEU 15 HA LEU 15 13.668 2.551 -2.838
104 HB2 LEU 15 2HB LEU 15 12.757 3.672 -0.243
105 HB3 LEU 15 3HB LEU 15 11.528 3.098 -1.367
106 HG LEU 15 HG LEU 15 13.728 1.501 -0.069
107 HD11 LEU 15 1HD1 LEU 15 12.161 0.717 1.316
108 HD12 LEU 15 2HD1 LEU 15 10.968 0.560 0.027
109 HD13 LEU 15 3HD1 LEU 15 11.212 2.118 0.818
110 HD21 LEU 15 1HD2 LEU 15 12.584 -0.415 -1.325
111 HD22 LEU 15 2HD2 LEU 15 13.682 0.623 -2.234
112 HD23 LEU 15 3HD2 LEU 15 11.937 0.838 -2.384
113 H SER 16 HN SER 16 11.641 5.055 -1.525
114 HA SER 16 HA SER 16 11.628 7.065 -3.316
115 HB2 SER 16 2HB SER 16 11.426 5.845 -5.276
116 HB3 SER 16 3HB SER 16 10.420 4.607 -4.524
117 HG SER 16 HG SER 16 9.675 7.221 -5.316
118 HA PRO 17 HA PRO 17 8.266 6.991 -0.129
119 HB2 PRO 17 2HB PRO 17 8.985 9.349 1.010
120 HB3 PRO 17 3HB PRO 17 9.695 7.800 1.479
121 HG2 PRO 17 2HG PRO 17 10.780 9.902 -0.356
122 HG3 PRO 17 3HG PRO 17 11.619 8.968 0.896
123 HD2 PRO 17 2HD PRO 17 11.781 8.353 -1.737
124 HD3 PRO 17 3HD PRO 17 11.850 7.119 -0.462
125 H LYS 18 HN LYS 18 8.985 8.621 -2.897
126 HA LYS 18 HA LYS 18 6.937 10.682 -2.595
127 HB2 LYS 18 2HB LYS 18 9.133 11.198 -3.679
128 HB3 LYS 18 3HB LYS 18 8.699 10.098 -4.981
129 HG2 LYS 18 2HG LYS 18 6.700 12.164 -4.394
130 HG3 LYS 18 3HG LYS 18 8.244 12.764 -5.002
131 HD2 LYS 18 2HD LYS 18 7.802 10.682 -6.682
132 HD3 LYS 18 3HD LYS 18 6.148 11.204 -6.356
133 HE2 LYS 18 2HE LYS 18 8.100 13.340 -6.943
134 HE3 LYS 18 3HE LYS 18 7.703 12.265 -8.282
135 HZ1 LYS 18 1HZ LYS 18 5.277 12.808 -7.281
136 HZ2 LYS 18 2HZ LYS 18 5.991 13.660 -8.557
137 HZ3 LYS 18 3HZ LYS 18 6.077 14.269 -6.982
138 H THR 19 HN THR 19 7.390 7.550 -3.945
139 HA THR 19 HA THR 19 4.713 7.709 -5.162
140 HB THR 19 HB THR 19 5.363 6.302 -6.979
141 HG1 THR 19 1HG THR 19 8.046 6.164 -6.535
142 HG21 THR 19 1HG2 THR 19 5.864 8.612 -7.388
143 HG22 THR 19 2HG2 THR 19 7.185 7.645 -8.047
144 HG23 THR 19 3HG2 THR 19 7.389 8.487 -6.512
145 H ASN 20 HN ASN 20 6.335 6.498 -2.672
146 HA ASN 20 HA ASN 20 5.144 3.817 -2.801
147 HB2 ASN 20 2HB ASN 20 7.440 4.999 -1.300
148 HB3 ASN 20 3HB ASN 20 6.582 3.638 -0.582
149 HD21 ASN 20 1HD2 ASN 20 9.198 4.371 -2.293
150 HD22 ASN 20 2HD2 ASN 20 9.387 2.932 -3.229
151 H THR 21 HN THR 21 3.561 6.200 -2.344
152 HA THR 21 HA THR 21 2.750 5.830 0.460
153 HB THR 21 HB THR 21 1.958 8.096 -1.374
154 HG1 THR 21 1HG THR 21 3.607 9.258 -0.438
155 HG21 THR 21 1HG2 THR 21 0.390 7.951 0.376
156 HG22 THR 21 2HG2 THR 21 1.535 9.186 0.901
157 HG23 THR 21 3HG2 THR 21 1.629 7.555 1.566
158 H CYS 22 HN CYS 22 1.283 4.225 0.507
159 HA CYS 22 HA CYS 22 -0.401 3.283 -1.389
160 HB2 CYS 22 2HB CYS 22 -0.133 2.387 0.939
161 HB3 CYS 22 3HB CYS 22 -1.227 3.650 1.496
162 H ARG 23 HN ARG 23 -2.398 3.748 -2.234
163 HA ARG 23 HA ARG 23 -3.278 6.509 -1.927
164 HB2 ARG 23 2HB ARG 23 -4.181 6.349 -4.020
165 HB3 ARG 23 3HB ARG 23 -2.956 5.094 -4.153
166 HG2 ARG 23 2HG ARG 23 -4.585 3.380 -3.747
167 HG3 ARG 23 3HG ARG 23 -5.828 4.586 -3.409
168 HD2 ARG 23 2HD ARG 23 -5.197 5.426 -5.822
169 HD3 ARG 23 3HD ARG 23 -4.620 3.770 -6.008
170 HE ARG 23 HE ARG 23 -7.098 3.413 -5.025
171 HH11 ARG 23 1HH1 ARG 23 -5.866 5.338 -7.652
172 HH12 ARG 23 2HH1 ARG 23 -7.319 5.222 -8.590
173 HH21 ARG 23 1HH2 ARG 23 -9.015 3.254 -6.250
174 HH22 ARG 23 2HH2 ARG 23 -9.110 4.038 -7.790
175 H GLY 24 HN GLY 24 -4.081 3.428 -0.771
176 HA2 GLY 24 1HA GLY 24 -6.874 4.183 -0.259
177 HA3 GLY 24 2HA GLY 24 -6.204 2.567 -0.100
178 H CYS 25 HN CYS 25 -3.870 4.212 1.272
179 HA CYS 25 HA CYS 25 -5.182 4.372 3.906
180 HB2 CYS 25 2HB CYS 25 -2.460 3.231 3.246
181 HB3 CYS 25 3HB CYS 25 -3.038 3.531 4.882
182 H ASN 26 HN ASN 26 -2.750 5.610 1.720
183 HA ASN 26 HA ASN 26 -1.876 7.722 1.554
184 HB2 ASN 26 2HB ASN 26 -2.979 8.587 4.190
185 HB3 ASN 26 3HB ASN 26 -2.817 9.495 2.690
186 HD21 ASN 26 1HD2 ASN 26 -4.033 7.411 1.076
187 HD22 ASN 26 2HD2 ASN 26 -5.726 7.463 1.414
188 H HIS 27 HN HIS 27 -0.789 5.400 3.107
189 HA HIS 27 HA HIS 27 1.139 6.890 4.765
190 HB2 HIS 27 2HB HIS 27 0.117 4.062 5.065
191 HB3 HIS 27 3HB HIS 27 1.494 4.701 5.961
192 HD1 HIS 27 1HD HIS 27 0.702 7.186 7.176
193 HD2 HIS 27 2HD HIS 27 -2.096 4.172 6.590
194 HE1 HIS 27 1HE HIS 27 -1.160 7.675 8.793
195 H LEU 28 HN LEU 28 3.270 5.597 4.983
196 HA LEU 28 HA LEU 28 4.299 5.250 2.318
197 HB2 LEU 28 2HB LEU 28 5.504 5.195 5.061
198 HB3 LEU 28 3HB LEU 28 6.435 4.705 3.647
199 HG LEU 28 HG LEU 28 5.294 7.430 4.243
200 HD11 LEU 28 1HD1 LEU 28 8.094 7.196 3.519
201 HD12 LEU 28 2HD1 LEU 28 7.690 6.264 4.961
202 HD13 LEU 28 3HD1 LEU 28 7.344 7.992 4.903
203 HD21 LEU 28 1HD2 LEU 28 6.343 6.251 1.704
204 HD22 LEU 28 2HD2 LEU 28 6.595 7.960 2.058
205 HD23 LEU 28 3HD2 LEU 28 4.957 7.311 1.960
206 H VAL 29 HN VAL 29 5.351 3.386 1.513
207 HA VAL 29 HA VAL 29 5.176 0.888 2.942
208 HB VAL 29 HB VAL 29 3.914 0.313 0.461
209 HG11 VAL 29 1HG1 VAL 29 3.878 -0.779 2.832
210 HG12 VAL 29 2HG1 VAL 29 2.478 0.267 3.077
211 HG13 VAL 29 3HG1 VAL 29 2.476 -0.919 1.772
212 HG21 VAL 29 1HG2 VAL 29 2.473 2.424 2.063
213 HG22 VAL 29 2HG2 VAL 29 3.162 2.642 0.454
214 HG23 VAL 29 3HG2 VAL 29 1.814 1.532 0.692
215 H CYS 30 HN CYS 30 7.011 -0.117 2.489
216 HA CYS 30 HA CYS 30 8.843 0.626 0.556
217 HB2 CYS 30 2HB CYS 30 10.004 -1.441 1.033
218 HB3 CYS 30 3HB CYS 30 9.337 -0.804 2.532
219 H ARG 31 HN ARG 31 9.704 -1.083 -1.119
220 HA ARG 31 HA ARG 31 7.571 -1.414 -3.044
221 HB2 ARG 31 2HB ARG 31 9.402 -2.097 -4.577
222 HB3 ARG 31 3HB ARG 31 9.670 -0.524 -3.837
223 HG2 ARG 31 2HG ARG 31 11.202 -1.546 -2.226
224 HG3 ARG 31 3HG ARG 31 10.945 -3.116 -2.990
225 HD2 ARG 31 2HD ARG 31 11.614 -1.416 -5.085
226 HD3 ARG 31 3HD ARG 31 12.686 -0.939 -3.768
227 HE ARG 31 HE ARG 31 12.964 -3.593 -3.741
228 HH11 ARG 31 1HH1 ARG 31 13.013 -1.312 -6.369
229 HH12 ARG 31 2HH1 ARG 31 14.102 -2.251 -7.336
230 HH21 ARG 31 1HH2 ARG 31 14.399 -4.838 -5.003
231 HH22 ARG 31 2HH2 ARG 31 14.889 -4.257 -6.559
232 H ASP 32 HN ASP 32 7.871 -3.137 -0.565
233 HA ASP 32 HA ASP 32 7.753 -5.732 -1.954
234 HB2 ASP 32 2HB ASP 32 9.773 -5.302 -0.386
235 HB3 ASP 32 3HB ASP 32 8.604 -5.485 0.919
236 H CYS 33 HN CYS 33 6.181 -3.450 -0.035
237 HA CYS 33 HA CYS 33 4.234 -5.425 0.946
238 HB2 CYS 33 2HB CYS 33 4.946 -2.641 1.840
239 HB3 CYS 33 3HB CYS 33 3.419 -3.383 2.305
240 H ARG 34 HN ARG 34 4.647 -3.791 -1.739
241 HA ARG 34 HA ARG 34 1.934 -2.700 -1.940
242 HB2 ARG 34 2HB ARG 34 3.622 -2.464 -4.311
243 HB3 ARG 34 3HB ARG 34 2.745 -1.223 -3.426
244 HG2 ARG 34 2HG ARG 34 4.559 -1.135 -1.776
245 HG3 ARG 34 3HG ARG 34 5.442 -2.350 -2.703
246 HD2 ARG 34 2HD ARG 34 4.564 0.308 -3.819
247 HD3 ARG 34 3HD ARG 34 6.154 0.017 -3.114
248 HE ARG 34 HE ARG 34 6.747 -1.185 -4.993
249 HH11 ARG 34 1HH1 ARG 34 3.344 -0.455 -5.058
250 HH12 ARG 34 2HH1 ARG 34 3.138 -0.940 -6.708
251 HH21 ARG 34 1HH2 ARG 34 6.489 -1.825 -7.166
252 HH22 ARG 34 2HH2 ARG 34 4.928 -1.719 -7.907
253 H ILE 35 HN ILE 35 0.408 -3.522 -3.291
254 HA ILE 35 HA ILE 35 1.109 -6.017 -4.696
255 HB ILE 35 HB ILE 35 -1.394 -5.207 -3.250
256 HG12 ILE 35 2HG1 ILE 35 -1.123 -7.432 -2.227
257 HG13 ILE 35 3HG1 ILE 35 0.293 -7.720 -3.234
258 HG21 ILE 35 1HG2 ILE 35 -2.421 -5.943 -5.171
259 HG22 ILE 35 2HG2 ILE 35 -1.125 -7.073 -5.559
260 HG23 ILE 35 3HG2 ILE 35 -2.267 -7.450 -4.269
261 HD11 ILE 35 1HD1 ILE 35 1.611 -6.305 -2.018
262 HD12 ILE 35 2HD1 ILE 35 0.248 -5.332 -1.464
263 HD13 ILE 35 3HD1 ILE 35 0.539 -6.922 -0.762
264 H GLN 36 HN GLN 36 1.228 -5.712 -6.816
265 HA GLN 36 HA GLN 36 0.301 -3.531 -8.246
266 HB2 GLN 36 2HB GLN 36 1.448 -6.120 -8.854
267 HB3 GLN 36 3HB GLN 36 0.249 -5.662 -10.057
268 HG2 GLN 36 2HG GLN 36 2.327 -3.692 -9.231
269 HG3 GLN 36 3HG GLN 36 2.745 -4.988 -10.351
270 HE21 GLN 36 1HE2 GLN 36 -0.445 -3.630 -10.248
271 HE22 GLN 36 2HE2 GLN 36 -0.360 -2.791 -11.756
272 H GLU 37 HN GLU 37 -1.667 -2.855 -8.749
273 HA GLU 37 HA GLU 37 -3.897 -4.753 -8.598
274 HB2 GLU 37 2HB GLU 37 -3.832 -1.734 -8.552
275 HB3 GLU 37 3HB GLU 37 -5.312 -2.682 -8.564
276 HG2 GLU 37 2HG GLU 37 -3.205 -2.992 -6.449
277 HG3 GLU 37 3HG GLU 37 -4.531 -1.837 -6.321
278 H SER 38 HN SER 38 -5.495 -4.829 -10.231
279 HA SER 38 HA SER 38 -4.420 -4.445 -12.887
280 HB2 SER 38 2HB SER 38 -6.075 -6.332 -11.791
281 HB3 SER 38 3HB SER 38 -7.224 -5.310 -12.657
282 HG SER 38 HG SER 38 -6.536 -6.762 -14.138
283 H ASN 39 HN ASN 39 -4.357 -2.105 -12.814
284 HA ASN 39 HA ASN 39 -6.577 -0.924 -14.103
285 HB2 ASN 39 2HB ASN 39 -6.781 0.867 -12.151
286 HB3 ASN 39 3HB ASN 39 -7.767 -0.590 -12.169
287 HD21 ASN 39 1HD2 ASN 39 -8.017 -0.578 -9.946
288 HD22 ASN 39 2HD2 ASN 39 -6.733 -0.996 -8.869
289 H GLY 40 HN GLY 40 -3.587 -0.527 -12.309
290 HA2 GLY 40 1HA GLY 40 -1.883 0.563 -13.904
291 HA3 GLY 40 2HA GLY 40 -2.999 1.919 -13.840
292 H THR 41 HN THR 41 -3.297 0.697 -10.886
293 HA THR 41 HA THR 41 -1.019 2.230 -9.809
294 HB THR 41 HB THR 41 -3.238 3.367 -9.519
295 HG1 THR 41 1HG THR 41 -2.552 4.102 -7.619
296 HG21 THR 41 1HG2 THR 41 -4.256 2.023 -7.296
297 HG22 THR 41 2HG2 THR 41 -3.926 0.757 -8.478
298 HG23 THR 41 3HG2 THR 41 -4.977 2.108 -8.902
299 H TRP 42 HN TRP 42 -1.538 1.643 -7.102
300 HA TRP 42 HA TRP 42 -1.538 -1.251 -6.846
301 HB2 TRP 42 2HB TRP 42 0.639 -1.288 -5.674
302 HB3 TRP 42 3HB TRP 42 0.798 -0.798 -7.358
303 HD1 TRP 42 1HD TRP 42 1.888 1.515 -7.834
304 HE1 TRP 42 1HE TRP 42 2.853 3.385 -6.352
305 HE3 TRP 42 3HE TRP 42 0.231 -0.118 -3.280
306 HZ2 TRP 42 2HZ TRP 42 2.907 4.077 -3.616
307 HZ3 TRP 42 3HZ TRP 42 0.783 1.205 -1.281
308 HH2 TRP 42 2HH TRP 42 2.093 3.259 -1.447
309 H ARG 43 HN ARG 43 -1.406 -1.924 -4.534
310 HA ARG 43 HA ARG 43 -2.085 0.142 -2.598
311 HB2 ARG 43 2HB ARG 43 -3.971 -1.978 -3.557
312 HB3 ARG 43 3HB ARG 43 -4.046 -1.448 -1.881
313 HG2 ARG 43 2HG ARG 43 -3.967 0.778 -3.742
314 HG3 ARG 43 3HG ARG 43 -5.339 -0.295 -4.021
315 HD2 ARG 43 2HD ARG 43 -4.787 0.390 -1.206
316 HD3 ARG 43 3HD ARG 43 -5.340 1.717 -2.226
317 HE ARG 43 HE ARG 43 -6.872 -0.565 -1.356
318 HH11 ARG 43 1HH1 ARG 43 -6.591 2.014 -3.677
319 HH12 ARG 43 2HH1 ARG 43 -8.277 2.013 -4.078
320 HH21 ARG 43 1HH2 ARG 43 -9.093 -0.577 -1.876
321 HH22 ARG 43 2HH2 ARG 43 -9.699 0.538 -3.052
322 H CYS 44 HN CYS 44 -1.194 -0.280 -0.680
323 HA CYS 44 HA CYS 44 0.648 -2.171 -0.143
324 HB2 CYS 44 2HB CYS 44 0.467 -1.644 2.136
325 HB3 CYS 44 3HB CYS 44 -0.152 -0.210 1.323
326 H LYS 45 HN LYS 45 0.661 -4.117 1.177
327 HA LYS 45 HA LYS 45 -1.025 -6.111 0.230
328 HB2 LYS 45 2HB LYS 45 0.204 -6.405 2.937
329 HB3 LYS 45 3HB LYS 45 0.119 -7.564 1.615
330 HG2 LYS 45 2HG LYS 45 1.706 -5.826 0.436
331 HG3 LYS 45 3HG LYS 45 2.070 -5.378 2.104
332 HD2 LYS 45 2HD LYS 45 3.548 -7.054 2.077
333 HD3 LYS 45 3HD LYS 45 2.154 -8.134 2.155
334 HE2 LYS 45 2HE LYS 45 2.160 -8.477 -0.172
335 HE3 LYS 45 3HE LYS 45 3.222 -7.099 -0.456
336 HZ1 LYS 45 1HZ LYS 45 4.990 -8.326 0.711
337 HZ2 LYS 45 2HZ LYS 45 4.461 -9.123 -0.684
338 HZ3 LYS 45 3HZ LYS 45 3.965 -9.666 0.840
339 H VAL 46 HN VAL 46 -1.294 -4.097 3.101
340 HA VAL 46 HA VAL 46 -3.418 -5.510 4.325
341 HB VAL 46 HB VAL 46 -2.824 -2.563 4.595
342 HG11 VAL 46 1HG1 VAL 46 -3.891 -2.735 6.739
343 HG12 VAL 46 2HG1 VAL 46 -4.984 -3.389 5.518
344 HG13 VAL 46 3HG1 VAL 46 -4.069 -4.480 6.561
345 HG21 VAL 46 1HG2 VAL 46 -0.834 -4.061 4.944
346 HG22 VAL 46 2HG2 VAL 46 -1.287 -3.077 6.335
347 HG23 VAL 46 3HG2 VAL 46 -1.709 -4.789 6.290
348 H CYS 47 HN CYS 47 -3.285 -3.307 1.678
349 HA CYS 47 HA CYS 47 -6.145 -2.746 1.791
350 HB2 CYS 47 2HB CYS 47 -3.833 -1.664 0.242
351 HB3 CYS 47 3HB CYS 47 -5.444 -1.520 -0.453
352 H ALA 48 HN ALA 48 -3.804 -4.145 -0.500
353 HA ALA 48 HA ALA 48 -5.728 -5.050 -2.355
354 HB1 ALA 48 1HB ALA 48 -2.859 -5.732 -1.839
355 HB2 ALA 48 2HB ALA 48 -3.800 -6.632 -3.029
356 HB3 ALA 48 3HB ALA 48 -3.578 -4.893 -3.213
357 H LYS 49 HN LYS 49 -4.741 -6.255 0.698
358 HA LYS 49 HA LYS 49 -6.287 -8.717 0.219
359 HB2 LYS 49 2HB LYS 49 -3.580 -8.618 0.779
360 HB3 LYS 49 3HB LYS 49 -4.303 -8.920 2.353
361 HG2 LYS 49 2HG LYS 49 -4.246 -11.067 1.763
362 HG3 LYS 49 3HG LYS 49 -5.647 -10.686 0.760
363 HD2 LYS 49 2HD LYS 49 -2.901 -10.248 -0.326
364 HD3 LYS 49 3HD LYS 49 -3.562 -11.884 -0.274
365 HE2 LYS 49 2HE LYS 49 -5.653 -10.558 -1.337
366 HE3 LYS 49 3HE LYS 49 -4.323 -9.574 -1.948
367 HZ1 LYS 49 1HZ LYS 49 -4.577 -12.515 -2.284
368 HZ2 LYS 49 2HZ LYS 49 -3.329 -11.551 -2.896
369 HZ3 LYS 49 3HZ LYS 49 -4.907 -11.359 -3.476
370 H GLU 50 HN GLU 50 -7.752 -9.296 1.760
371 HA GLU 50 HA GLU 50 -9.166 -9.094 3.531
372 HB2 GLU 50 2HB GLU 50 -6.911 -9.276 4.742
373 HB3 GLU 50 3HB GLU 50 -7.019 -7.534 4.954
374 HG2 GLU 50 2HG GLU 50 -8.354 -7.775 6.697
375 HG3 GLU 50 3HG GLU 50 -9.478 -8.755 5.757
376 H ILE 51 HN ILE 51 -10.595 -7.738 2.417
377 HA ILE 51 HA ILE 51 -10.303 -4.854 2.905
378 HB ILE 51 HB ILE 51 -10.620 -5.102 0.619
379 HG12 ILE 51 2HG1 ILE 51 -12.833 -4.239 0.127
380 HG13 ILE 51 3HG1 ILE 51 -13.453 -4.861 1.652
381 HG21 ILE 51 1HG2 ILE 51 -12.385 -7.386 1.368
382 HG22 ILE 51 2HG2 ILE 51 -12.588 -6.612 -0.202
383 HG23 ILE 51 3HG2 ILE 51 -11.038 -7.332 0.232
384 HD11 ILE 51 1HD1 ILE 51 -11.287 -3.217 2.314
385 HD12 ILE 51 2HD1 ILE 51 -12.212 -2.350 1.088
386 HD13 ILE 51 3HD1 ILE 51 -13.004 -2.902 2.564
387 H GLU 52 HN GLU 52 -11.373 -4.103 4.603
388 HA GLU 52 HA GLU 52 -13.696 -5.530 5.623
389 HB2 GLU 52 2HB GLU 52 -12.462 -3.034 6.778
390 HB3 GLU 52 3HB GLU 52 -13.469 -4.221 7.595
391 HG2 GLU 52 2HG GLU 52 -11.527 -5.003 8.368
392 HG3 GLU 52 3HG GLU 52 -11.406 -5.773 6.787
393 H LEU 53 HN LEU 53 -15.544 -5.088 4.596
394 HA LEU 53 HA LEU 53 -17.351 -3.940 3.830
395 HB2 LEU 53 2HB LEU 53 -16.708 -2.658 6.061
396 HB3 LEU 53 3HB LEU 53 -16.354 -1.362 4.920
397 HG LEU 53 HG LEU 53 -18.953 -2.518 4.408
398 HD11 LEU 53 1HD1 LEU 53 -19.904 -1.413 6.547
399 HD12 LEU 53 2HD1 LEU 53 -18.296 -1.705 7.210
400 HD13 LEU 53 3HD1 LEU 53 -19.273 -3.057 6.634
401 HD21 LEU 53 1HD2 LEU 53 -19.526 -0.040 4.935
402 HD22 LEU 53 2HD2 LEU 53 -18.572 -0.425 3.503
403 HD23 LEU 53 3HD2 LEU 53 -17.775 0.174 4.959
Start of MODEL 17
1 H1 SER 1 HN SER 1 8.923 13.356 10.061
2 HA SER 1 HA SER 1 8.564 10.716 11.287
3 HB2 SER 1 2HB SER 1 8.044 10.795 8.388
4 HB3 SER 1 3HB SER 1 7.213 9.900 9.660
5 HG SER 1 HG SER 1 5.752 11.379 9.049
6 H ASP 2 HN ASP 2 9.676 9.003 9.836
7 HA ASP 2 HA ASP 2 12.227 10.122 8.872
8 HB2 ASP 2 2HB ASP 2 11.645 7.846 10.692
9 HB3 ASP 2 3HB ASP 2 12.972 7.641 9.553
10 H ARG 3 HN ARG 3 9.458 8.495 8.009
11 HA ARG 3 HA ARG 3 8.846 7.702 5.937
12 HB2 ARG 3 2HB ARG 3 11.718 7.388 5.130
13 HB3 ARG 3 3HB ARG 3 10.312 7.689 4.119
14 HG2 ARG 3 2HG ARG 3 10.652 9.854 5.959
15 HG3 ARG 3 3HG ARG 3 12.163 9.551 5.100
16 HD2 ARG 3 2HD ARG 3 10.408 9.384 3.060
17 HD3 ARG 3 3HD ARG 3 9.571 10.538 4.098
18 HE ARG 3 HE ARG 3 11.869 11.041 2.518
19 HH11 ARG 3 1HH1 ARG 3 10.402 11.829 5.574
20 HH12 ARG 3 2HH1 ARG 3 11.177 13.374 5.696
21 HH21 ARG 3 1HH2 ARG 3 12.895 13.072 2.666
22 HH22 ARG 3 2HH2 ARG 3 12.594 14.081 4.040
23 H THR 4 HN THR 4 8.460 5.983 7.681
24 HA THR 4 HA THR 4 10.036 3.568 7.077
25 HB THR 4 HB THR 4 8.285 3.297 9.373
26 HG1 THR 4 1HG THR 4 9.445 4.784 10.701
27 HG21 THR 4 1HG2 THR 4 10.337 2.531 10.438
28 HG22 THR 4 2HG2 THR 4 11.290 3.170 9.098
29 HG23 THR 4 3HG2 THR 4 10.182 1.824 8.830
30 H CYS 5 HN CYS 5 9.005 1.674 6.519
31 HA CYS 5 HA CYS 5 6.658 1.817 5.042
32 HB2 CYS 5 2HB CYS 5 8.432 0.003 4.972
33 HB3 CYS 5 3HB CYS 5 7.660 -0.689 6.394
34 H ALA 6 HN ALA 6 4.529 1.210 5.421
35 HA ALA 6 HA ALA 6 3.661 1.512 8.175
36 HB1 ALA 6 1HB ALA 6 1.765 2.338 7.329
37 HB2 ALA 6 2HB ALA 6 2.628 2.374 5.790
38 HB3 ALA 6 3HB ALA 6 1.587 1.007 6.185
39 H ARG 7 HN ARG 7 4.680 -1.030 6.409
40 HA ARG 7 HA ARG 7 2.873 -2.896 7.798
41 HB2 ARG 7 2HB ARG 7 4.258 -3.548 5.206
42 HB3 ARG 7 3HB ARG 7 2.910 -4.384 5.965
43 HG2 ARG 7 2HG ARG 7 2.871 -1.707 4.599
44 HG3 ARG 7 3HG ARG 7 2.063 -3.193 4.094
45 HD2 ARG 7 2HD ARG 7 1.324 -1.240 6.195
46 HD3 ARG 7 3HD ARG 7 0.301 -2.145 5.081
47 HE ARG 7 HE ARG 7 1.177 -4.086 6.687
48 HH11 ARG 7 1HH1 ARG 7 -0.112 -0.932 7.401
49 HH12 ARG 7 2HH1 ARG 7 -0.795 -1.412 8.919
50 HH21 ARG 7 1HH2 ARG 7 0.282 -4.731 8.683
51 HH22 ARG 7 2HH2 ARG 7 -0.571 -3.573 9.648
52 H CYS 8 HN CYS 8 6.133 -2.199 6.697
53 HA CYS 8 HA CYS 8 7.163 -4.480 8.227
54 HB2 CYS 8 2HB CYS 8 8.609 -2.649 6.300
55 HB3 CYS 8 3HB CYS 8 9.275 -4.093 7.054
56 H GLN 9 HN GLN 9 7.031 -1.014 8.175
57 HA GLN 9 HA GLN 9 7.651 0.565 9.690
58 HB2 GLN 9 2HB GLN 9 7.332 -1.861 11.235
59 HB3 GLN 9 3HB GLN 9 8.587 -0.839 11.923
60 HG2 GLN 9 2HG GLN 9 6.070 0.499 11.161
61 HG3 GLN 9 3HG GLN 9 5.997 -0.607 12.533
62 HE21 GLN 9 1HE2 GLN 9 8.254 1.846 11.301
63 HE22 GLN 9 2HE2 GLN 9 8.464 2.656 12.811
64 H GLU 10 HN GLU 10 9.585 -0.723 7.857
65 HA GLU 10 HA GLU 10 12.080 -0.294 9.355
66 HB2 GLU 10 2HB GLU 10 11.302 -2.092 7.164
67 HB3 GLU 10 3HB GLU 10 12.855 -1.301 6.931
68 HG2 GLU 10 2HG GLU 10 12.102 -2.842 9.401
69 HG3 GLU 10 3HG GLU 10 12.982 -3.522 8.034
70 H SER 11 HN SER 11 13.674 1.081 8.555
71 HA SER 11 HA SER 11 12.871 3.476 7.442
72 HB2 SER 11 2HB SER 11 14.960 3.357 8.617
73 HB3 SER 11 3HB SER 11 15.601 2.177 7.473
74 HG SER 11 HG SER 11 16.264 3.798 6.333
75 H LEU 12 HN LEU 12 12.510 4.218 5.443
76 HA LEU 12 HA LEU 12 12.492 2.369 3.246
77 HB2 LEU 12 2HB LEU 12 11.726 5.244 3.588
78 HB3 LEU 12 3HB LEU 12 11.792 4.511 1.986
79 HG LEU 12 HG LEU 12 9.568 4.631 3.503
80 HD11 LEU 12 1HD1 LEU 12 10.145 3.749 1.078
81 HD12 LEU 12 2HD1 LEU 12 8.607 3.384 1.858
82 HD13 LEU 12 3HD1 LEU 12 9.900 2.185 1.855
83 HD21 LEU 12 1HD2 LEU 12 10.614 3.146 5.207
84 HD22 LEU 12 2HD2 LEU 12 10.671 1.869 3.993
85 HD23 LEU 12 3HD2 LEU 12 9.116 2.513 4.525
86 H GLY 13 HN GLY 13 14.376 5.216 4.164
87 HA2 GLY 13 1HA GLY 13 16.169 6.228 3.074
88 HA3 GLY 13 2HA GLY 13 16.798 4.595 3.232
89 H ARG 14 HN ARG 14 17.777 4.072 1.394
90 HA ARG 14 HA ARG 14 17.300 5.206 -1.108
91 HB2 ARG 14 2HB ARG 14 18.827 2.921 -0.060
92 HB3 ARG 14 3HB ARG 14 18.336 2.756 -1.741
93 HG2 ARG 14 2HG ARG 14 19.304 5.334 -1.608
94 HG3 ARG 14 3HG ARG 14 20.391 4.422 -0.557
95 HD2 ARG 14 2HD ARG 14 21.330 4.323 -2.725
96 HD3 ARG 14 3HD ARG 14 20.596 2.747 -2.433
97 HE ARG 14 HE ARG 14 18.644 4.142 -3.701
98 HH11 ARG 14 1HH1 ARG 14 21.978 3.445 -4.418
99 HH12 ARG 14 2HH1 ARG 14 21.750 3.469 -6.136
100 HH21 ARG 14 1HH2 ARG 14 18.330 4.178 -5.961
101 HH22 ARG 14 2HH2 ARG 14 19.674 3.887 -7.012
102 H LEU 15 HN LEU 15 15.115 5.212 -1.612
103 HA LEU 15 HA LEU 15 14.149 2.881 -2.946
104 HB2 LEU 15 2HB LEU 15 13.524 2.156 -0.768
105 HB3 LEU 15 3HB LEU 15 12.860 3.738 -0.366
106 HG LEU 15 HG LEU 15 10.979 3.393 -1.797
107 HD11 LEU 15 1HD1 LEU 15 10.955 0.891 -2.788
108 HD12 LEU 15 2HD1 LEU 15 12.674 1.261 -2.917
109 HD13 LEU 15 3HD1 LEU 15 11.487 2.303 -3.701
110 HD21 LEU 15 1HD2 LEU 15 11.518 1.855 0.450
111 HD22 LEU 15 2HD2 LEU 15 10.875 0.707 -0.725
112 HD23 LEU 15 3HD2 LEU 15 9.939 2.137 -0.283
113 H SER 16 HN SER 16 11.919 5.043 -1.372
114 HA SER 16 HA SER 16 11.755 7.247 -2.902
115 HB2 SER 16 2HB SER 16 9.976 6.452 -4.659
116 HB3 SER 16 3HB SER 16 11.694 6.247 -4.998
117 HG SER 16 HG SER 16 10.006 4.257 -3.881
118 HA PRO 17 HA PRO 17 8.381 6.558 0.180
119 HB2 PRO 17 2HB PRO 17 8.831 8.878 1.516
120 HB3 PRO 17 3HB PRO 17 9.705 7.382 1.867
121 HG2 PRO 17 2HG PRO 17 10.559 9.734 0.224
122 HG3 PRO 17 3HG PRO 17 11.492 8.797 1.406
123 HD2 PRO 17 2HD PRO 17 11.732 8.425 -1.265
124 HD3 PRO 17 3HD PRO 17 11.930 7.104 -0.095
125 H LYS 18 HN LYS 18 8.928 8.480 -2.436
126 HA LYS 18 HA LYS 18 6.636 10.243 -1.995
127 HB2 LYS 18 2HB LYS 18 8.817 11.098 -2.950
128 HB3 LYS 18 3HB LYS 18 8.464 10.161 -4.397
129 HG2 LYS 18 2HG LYS 18 6.233 11.837 -3.621
130 HG3 LYS 18 3HG LYS 18 7.708 12.769 -3.891
131 HD2 LYS 18 2HD LYS 18 7.934 11.445 -6.065
132 HD3 LYS 18 3HD LYS 18 6.259 10.957 -5.802
133 HE2 LYS 18 2HE LYS 18 7.178 13.825 -5.881
134 HE3 LYS 18 3HE LYS 18 6.564 12.955 -7.286
135 HZ1 LYS 18 1HZ LYS 18 4.978 13.104 -4.804
136 HZ2 LYS 18 2HZ LYS 18 4.450 12.832 -6.388
137 HZ3 LYS 18 3HZ LYS 18 4.950 14.378 -5.917
138 H THR 19 HN THR 19 7.696 7.552 -3.983
139 HA THR 19 HA THR 19 5.062 7.500 -5.295
140 HB THR 19 HB THR 19 6.083 6.009 -6.967
141 HG1 THR 19 1HG THR 19 8.566 6.113 -6.773
142 HG21 THR 19 1HG2 THR 19 6.607 8.765 -6.601
143 HG22 THR 19 2HG2 THR 19 6.569 7.856 -8.113
144 HG23 THR 19 3HG2 THR 19 8.083 8.033 -7.227
145 H ASN 20 HN ASN 20 5.971 6.450 -2.566
146 HA ASN 20 HA ASN 20 4.924 3.721 -2.933
147 HB2 ASN 20 2HB ASN 20 7.222 4.680 -1.255
148 HB3 ASN 20 3HB ASN 20 6.317 3.247 -0.778
149 HD21 ASN 20 1HD2 ASN 20 9.090 3.503 -1.617
150 HD22 ASN 20 2HD2 ASN 20 9.275 2.465 -2.986
151 H THR 21 HN THR 21 3.520 6.208 -2.333
152 HA THR 21 HA THR 21 2.681 5.775 0.448
153 HB THR 21 HB THR 21 1.994 8.080 -1.385
154 HG1 THR 21 1HG THR 21 3.551 9.206 -0.142
155 HG21 THR 21 1HG2 THR 21 1.217 9.181 0.644
156 HG22 THR 21 2HG2 THR 21 1.638 7.759 1.597
157 HG23 THR 21 3HG2 THR 21 0.347 7.667 0.400
158 H CYS 22 HN CYS 22 1.317 4.024 0.278
159 HA CYS 22 HA CYS 22 -0.444 3.221 -1.553
160 HB2 CYS 22 2HB CYS 22 -0.173 2.199 0.698
161 HB3 CYS 22 3HB CYS 22 -1.172 3.483 1.372
162 H ARG 23 HN ARG 23 -2.133 3.988 -2.642
163 HA ARG 23 HA ARG 23 -3.089 6.647 -2.117
164 HB2 ARG 23 2HB ARG 23 -4.583 5.035 -4.064
165 HB3 ARG 23 3HB ARG 23 -3.829 6.613 -4.248
166 HG2 ARG 23 2HG ARG 23 -1.634 5.073 -4.137
167 HG3 ARG 23 3HG ARG 23 -2.776 3.927 -4.840
168 HD2 ARG 23 2HD ARG 23 -2.963 5.092 -6.776
169 HD3 ARG 23 3HD ARG 23 -2.768 6.653 -5.980
170 HE ARG 23 HE ARG 23 -0.338 5.213 -5.916
171 HH11 ARG 23 1HH1 ARG 23 -2.410 6.981 -8.084
172 HH12 ARG 23 2HH1 ARG 23 -1.120 7.454 -9.139
173 HH21 ARG 23 1HH2 ARG 23 1.369 5.830 -7.298
174 HH22 ARG 23 2HH2 ARG 23 1.028 6.798 -8.692
175 H GLY 24 HN GLY 24 -3.732 3.949 -0.531
176 HA2 GLY 24 1HA GLY 24 -6.590 4.617 -0.183
177 HA3 GLY 24 2HA GLY 24 -5.988 2.968 -0.109
178 H CYS 25 HN CYS 25 -3.556 4.414 1.290
179 HA CYS 25 HA CYS 25 -4.813 4.532 3.952
180 HB2 CYS 25 2HB CYS 25 -2.192 3.252 3.164
181 HB3 CYS 25 3HB CYS 25 -2.662 3.560 4.832
182 H ASN 26 HN ASN 26 -2.372 5.748 1.769
183 HA ASN 26 HA ASN 26 -1.425 7.837 1.677
184 HB2 ASN 26 2HB ASN 26 -3.536 8.283 3.392
185 HB3 ASN 26 3HB ASN 26 -2.146 8.759 4.363
186 HD21 ASN 26 1HD2 ASN 26 -0.559 9.578 2.094
187 HD22 ASN 26 2HD2 ASN 26 -1.227 11.072 1.539
188 H HIS 27 HN HIS 27 -0.499 5.337 3.214
189 HA HIS 27 HA HIS 27 1.658 6.638 4.742
190 HB2 HIS 27 2HB HIS 27 0.569 3.830 5.022
191 HB3 HIS 27 3HB HIS 27 1.888 4.513 5.967
192 HD1 HIS 27 1HD HIS 27 0.843 7.114 6.933
193 HD2 HIS 27 2HD HIS 27 -1.570 3.742 6.661
194 HE1 HIS 27 1HE HIS 27 -1.062 7.520 8.525
195 H LEU 28 HN LEU 28 3.752 5.446 4.716
196 HA LEU 28 HA LEU 28 4.530 4.943 2.007
197 HB2 LEU 28 2HB LEU 28 6.059 4.703 4.593
198 HB3 LEU 28 3HB LEU 28 6.772 4.549 2.989
199 HG LEU 28 HG LEU 28 5.555 7.027 4.203
200 HD11 LEU 28 1HD1 LEU 28 7.727 7.891 4.284
201 HD12 LEU 28 2HD1 LEU 28 8.366 6.630 3.231
202 HD13 LEU 28 3HD1 LEU 28 7.887 6.241 4.883
203 HD21 LEU 28 1HD2 LEU 28 6.671 6.566 1.439
204 HD22 LEU 28 2HD2 LEU 28 6.267 8.141 2.122
205 HD23 LEU 28 3HD2 LEU 28 4.999 6.945 1.851
206 H VAL 29 HN VAL 29 5.356 3.033 1.124
207 HA VAL 29 HA VAL 29 5.265 0.577 2.652
208 HB VAL 29 HB VAL 29 3.767 0.112 0.228
209 HG11 VAL 29 1HG1 VAL 29 2.590 -0.225 2.933
210 HG12 VAL 29 2HG1 VAL 29 2.601 -1.328 1.556
211 HG13 VAL 29 3HG1 VAL 29 4.047 -1.141 2.549
212 HG21 VAL 29 1HG2 VAL 29 1.696 1.253 0.864
213 HG22 VAL 29 2HG2 VAL 29 2.537 2.041 2.199
214 HG23 VAL 29 3HG2 VAL 29 2.989 2.406 0.533
215 H CYS 30 HN CYS 30 7.053 -0.458 2.099
216 HA CYS 30 HA CYS 30 8.767 0.154 0.045
217 HB2 CYS 30 2HB CYS 30 9.769 -2.069 0.384
218 HB3 CYS 30 3HB CYS 30 9.400 -1.286 1.916
219 H ARG 31 HN ARG 31 9.423 -1.674 -1.650
220 HA ARG 31 HA ARG 31 7.174 -1.817 -3.470
221 HB2 ARG 31 2HB ARG 31 9.956 -2.853 -3.982
222 HB3 ARG 31 3HB ARG 31 8.753 -2.344 -5.159
223 HG2 ARG 31 2HG ARG 31 9.191 -0.113 -3.541
224 HG3 ARG 31 3HG ARG 31 10.786 -0.805 -3.839
225 HD2 ARG 31 2HD ARG 31 10.719 0.315 -5.774
226 HD3 ARG 31 3HD ARG 31 9.610 -0.947 -6.307
227 HE ARG 31 HE ARG 31 8.082 0.970 -5.016
228 HH11 ARG 31 1HH1 ARG 31 10.136 0.766 -7.820
229 HH12 ARG 31 2HH1 ARG 31 9.280 1.990 -8.698
230 HH21 ARG 31 1HH2 ARG 31 6.947 2.582 -6.161
231 HH22 ARG 31 2HH2 ARG 31 7.466 3.024 -7.753
232 H ASP 32 HN ASP 32 7.905 -3.651 -0.981
233 HA ASP 32 HA ASP 32 7.351 -6.194 -2.364
234 HB2 ASP 32 2HB ASP 32 9.514 -5.996 -1.040
235 HB3 ASP 32 3HB ASP 32 8.513 -5.913 0.407
236 H CYS 33 HN CYS 33 6.020 -3.817 -0.425
237 HA CYS 33 HA CYS 33 4.083 -5.671 0.782
238 HB2 CYS 33 2HB CYS 33 4.931 -2.870 1.495
239 HB3 CYS 33 3HB CYS 33 3.447 -3.573 2.128
240 H ARG 34 HN ARG 34 4.404 -3.994 -1.951
241 HA ARG 34 HA ARG 34 1.652 -2.978 -2.013
242 HB2 ARG 34 2HB ARG 34 3.298 -2.567 -4.403
243 HB3 ARG 34 3HB ARG 34 2.343 -1.414 -3.481
244 HG2 ARG 34 2HG ARG 34 4.224 -1.504 -1.756
245 HG3 ARG 34 3HG ARG 34 5.169 -2.292 -3.021
246 HD2 ARG 34 2HD ARG 34 3.879 0.429 -3.169
247 HD3 ARG 34 3HD ARG 34 5.602 0.093 -3.014
248 HE ARG 34 HE ARG 34 4.769 -1.206 -5.301
249 HH11 ARG 34 1HH1 ARG 34 4.867 2.069 -4.124
250 HH12 ARG 34 2HH1 ARG 34 5.040 2.768 -5.699
251 HH21 ARG 34 1HH2 ARG 34 4.996 -0.297 -7.381
252 HH22 ARG 34 2HH2 ARG 34 5.112 1.422 -7.551
253 H ILE 35 HN ILE 35 0.147 -3.711 -3.477
254 HA ILE 35 HA ILE 35 0.875 -6.173 -4.924
255 HB ILE 35 HB ILE 35 -1.685 -5.376 -3.564
256 HG12 ILE 35 2HG1 ILE 35 -1.412 -7.729 -2.653
257 HG13 ILE 35 3HG1 ILE 35 0.177 -7.750 -3.410
258 HG21 ILE 35 1HG2 ILE 35 -2.726 -7.374 -4.587
259 HG22 ILE 35 2HG2 ILE 35 -2.344 -6.115 -5.760
260 HG23 ILE 35 3HG2 ILE 35 -1.313 -7.540 -5.630
261 HD11 ILE 35 1HD1 ILE 35 -0.535 -5.536 -1.548
262 HD12 ILE 35 2HD1 ILE 35 -0.070 -7.114 -0.909
263 HD13 ILE 35 3HD1 ILE 35 1.044 -6.215 -1.939
264 H GLN 36 HN GLN 36 1.038 -5.840 -7.035
265 HA GLN 36 HA GLN 36 0.184 -3.616 -8.442
266 HB2 GLN 36 2HB GLN 36 1.151 -6.307 -9.128
267 HB3 GLN 36 3HB GLN 36 0.170 -5.549 -10.373
268 HG2 GLN 36 2HG GLN 36 2.259 -3.851 -9.187
269 HG3 GLN 36 3HG GLN 36 2.826 -5.222 -10.140
270 HE21 GLN 36 1HE2 GLN 36 -0.034 -3.185 -10.543
271 HE22 GLN 36 2HE2 GLN 36 0.375 -2.618 -12.122
272 H GLU 37 HN GLU 37 -1.825 -2.889 -8.644
273 HA GLU 37 HA GLU 37 -4.072 -4.731 -8.646
274 HB2 GLU 37 2HB GLU 37 -3.904 -1.716 -8.643
275 HB3 GLU 37 3HB GLU 37 -5.422 -2.600 -8.706
276 HG2 GLU 37 2HG GLU 37 -3.631 -3.418 -6.539
277 HG3 GLU 37 3HG GLU 37 -4.203 -1.753 -6.437
278 H SER 38 HN SER 38 -5.830 -4.430 -10.251
279 HA SER 38 HA SER 38 -4.684 -4.365 -12.923
280 HB2 SER 38 2HB SER 38 -6.844 -5.302 -13.638
281 HB3 SER 38 3HB SER 38 -6.158 -6.234 -12.308
282 HG SER 38 HG SER 38 -7.854 -4.143 -11.624
283 H ASN 39 HN ASN 39 -5.272 -1.927 -11.203
284 HA ASN 39 HA ASN 39 -7.026 -0.519 -13.105
285 HB2 ASN 39 2HB ASN 39 -7.780 -0.616 -10.701
286 HB3 ASN 39 3HB ASN 39 -6.365 0.346 -10.286
287 HD21 ASN 39 1HD2 ASN 39 -6.368 2.500 -10.660
288 HD22 ASN 39 2HD2 ASN 39 -7.726 3.369 -11.283
289 H GLY 40 HN GLY 40 -3.997 -1.086 -13.015
290 HA2 GLY 40 1HA GLY 40 -2.222 0.056 -13.970
291 HA3 GLY 40 2HA GLY 40 -3.231 1.493 -14.043
292 H THR 41 HN THR 41 -3.458 0.406 -10.959
293 HA THR 41 HA THR 41 -1.163 2.030 -10.071
294 HB THR 41 HB THR 41 -3.418 3.113 -9.727
295 HG1 THR 41 1HG THR 41 -2.171 4.032 -8.283
296 HG21 THR 41 1HG2 THR 41 -5.074 2.075 -8.642
297 HG22 THR 41 2HG2 THR 41 -4.006 1.614 -7.317
298 HG23 THR 41 3HG2 THR 41 -4.114 0.601 -8.757
299 H TRP 42 HN TRP 42 -1.508 1.566 -7.323
300 HA TRP 42 HA TRP 42 -1.439 -1.314 -6.933
301 HB2 TRP 42 2HB TRP 42 0.792 -1.308 -5.935
302 HB3 TRP 42 3HB TRP 42 0.865 -0.761 -7.608
303 HD1 TRP 42 1HD TRP 42 1.978 1.531 -8.042
304 HE1 TRP 42 1HE TRP 42 2.924 3.401 -6.547
305 HE3 TRP 42 3HE TRP 42 0.321 -0.141 -3.503
306 HZ2 TRP 42 2HZ TRP 42 2.963 4.077 -3.807
307 HZ3 TRP 42 3HZ TRP 42 0.856 1.175 -1.495
308 HH2 TRP 42 2HH TRP 42 2.150 3.240 -1.646
309 H ARG 43 HN ARG 43 -1.489 -1.938 -4.704
310 HA ARG 43 HA ARG 43 -1.888 0.181 -2.741
311 HB2 ARG 43 2HB ARG 43 -3.998 -1.775 -3.609
312 HB3 ARG 43 3HB ARG 43 -3.999 -1.121 -1.976
313 HG2 ARG 43 2HG ARG 43 -3.791 0.815 -4.205
314 HG3 ARG 43 3HG ARG 43 -5.339 0.000 -3.975
315 HD2 ARG 43 2HD ARG 43 -4.990 0.670 -1.476
316 HD3 ARG 43 3HD ARG 43 -3.880 1.862 -2.150
317 HE ARG 43 HE ARG 43 -5.678 3.046 -2.927
318 HH11 ARG 43 1HH1 ARG 43 -6.712 -0.163 -2.058
319 HH12 ARG 43 2HH1 ARG 43 -8.397 0.185 -2.258
320 HH21 ARG 43 1HH2 ARG 43 -7.895 3.516 -3.193
321 HH22 ARG 43 2HH2 ARG 43 -9.069 2.277 -2.904
322 H CYS 44 HN CYS 44 -1.323 -0.396 -0.694
323 HA CYS 44 HA CYS 44 0.464 -2.374 -0.178
324 HB2 CYS 44 2HB CYS 44 0.109 -2.012 2.140
325 HB3 CYS 44 3HB CYS 44 -0.254 -0.479 1.354
326 H LYS 45 HN LYS 45 0.215 -4.302 1.288
327 HA LYS 45 HA LYS 45 -1.547 -6.173 0.078
328 HB2 LYS 45 2HB LYS 45 -0.318 -6.824 2.699
329 HB3 LYS 45 3HB LYS 45 -0.384 -7.774 1.220
330 HG2 LYS 45 2HG LYS 45 1.296 -6.110 0.274
331 HG3 LYS 45 3HG LYS 45 1.512 -5.564 1.939
332 HD2 LYS 45 2HD LYS 45 3.170 -7.152 1.773
333 HD3 LYS 45 3HD LYS 45 1.840 -8.119 2.415
334 HE2 LYS 45 2HE LYS 45 1.301 -8.562 -0.086
335 HE3 LYS 45 3HE LYS 45 2.963 -8.038 -0.359
336 HZ1 LYS 45 1HZ LYS 45 1.999 -10.381 1.159
337 HZ2 LYS 45 2HZ LYS 45 3.546 -9.751 1.419
338 HZ3 LYS 45 3HZ LYS 45 3.115 -10.329 -0.111
339 H VAL 46 HN VAL 46 -1.941 -3.952 2.612
340 HA VAL 46 HA VAL 46 -3.986 -5.458 4.008
341 HB VAL 46 HB VAL 46 -3.571 -2.534 4.452
342 HG11 VAL 46 1HG1 VAL 46 -4.022 -3.137 6.760
343 HG12 VAL 46 2HG1 VAL 46 -5.282 -3.780 5.705
344 HG13 VAL 46 3HG1 VAL 46 -4.026 -4.848 6.333
345 HG21 VAL 46 1HG2 VAL 46 -1.605 -4.707 5.077
346 HG22 VAL 46 2HG2 VAL 46 -1.315 -3.109 4.388
347 HG23 VAL 46 3HG2 VAL 46 -1.726 -3.273 6.096
348 H CYS 47 HN CYS 47 -3.782 -3.234 1.400
349 HA CYS 47 HA CYS 47 -6.642 -2.608 1.558
350 HB2 CYS 47 2HB CYS 47 -4.352 -1.421 0.005
351 HB3 CYS 47 3HB CYS 47 -6.024 -1.081 -0.425
352 H ALA 48 HN ALA 48 -4.228 -3.867 -0.726
353 HA ALA 48 HA ALA 48 -6.137 -4.581 -2.714
354 HB1 ALA 48 1HB ALA 48 -3.382 -4.393 -2.600
355 HB2 ALA 48 2HB ALA 48 -3.678 -6.119 -2.807
356 HB3 ALA 48 3HB ALA 48 -4.336 -4.966 -3.968
357 H LYS 49 HN LYS 49 -5.231 -5.989 0.240
358 HA LYS 49 HA LYS 49 -5.369 -8.703 -0.152
359 HB2 LYS 49 2HB LYS 49 -4.920 -8.226 2.038
360 HB3 LYS 49 3HB LYS 49 -6.059 -6.888 2.093
361 HG2 LYS 49 2HG LYS 49 -7.895 -8.336 2.410
362 HG3 LYS 49 3HG LYS 49 -6.937 -9.758 1.995
363 HD2 LYS 49 2HD LYS 49 -6.423 -10.025 4.140
364 HD3 LYS 49 3HD LYS 49 -5.637 -8.444 4.144
365 HE2 LYS 49 2HE LYS 49 -8.549 -9.011 4.695
366 HE3 LYS 49 3HE LYS 49 -7.328 -8.544 5.878
367 HZ1 LYS 49 1HZ LYS 49 -7.610 -6.415 5.380
368 HZ2 LYS 49 2HZ LYS 49 -8.963 -6.858 4.467
369 HZ3 LYS 49 3HZ LYS 49 -7.455 -6.693 3.718
370 H GLU 50 HN GLU 50 -8.175 -6.755 0.888
371 HA GLU 50 HA GLU 50 -9.900 -8.010 -1.033
372 HB2 GLU 50 2HB GLU 50 -11.222 -9.331 0.348
373 HB3 GLU 50 3HB GLU 50 -9.603 -9.650 0.953
374 HG2 GLU 50 2HG GLU 50 -10.498 -9.238 2.953
375 HG3 GLU 50 3HG GLU 50 -10.331 -7.543 2.496
376 H ILE 51 HN ILE 51 -9.040 -5.338 -0.018
377 HA ILE 51 HA ILE 51 -9.957 -3.268 0.219
378 HB ILE 51 HB ILE 51 -12.642 -4.550 -0.276
379 HG12 ILE 51 2HG1 ILE 51 -11.665 -3.372 -2.644
380 HG13 ILE 51 3HG1 ILE 51 -10.353 -4.365 -2.018
381 HG21 ILE 51 1HG2 ILE 51 -13.042 -2.364 0.369
382 HG22 ILE 51 2HG2 ILE 51 -11.568 -1.762 -0.386
383 HG23 ILE 51 3HG2 ILE 51 -12.945 -2.225 -1.386
384 HD11 ILE 51 1HD1 ILE 51 -11.526 -6.314 -2.281
385 HD12 ILE 51 2HD1 ILE 51 -13.094 -5.513 -2.177
386 HD13 ILE 51 3HD1 ILE 51 -12.124 -5.367 -3.643
387 H GLU 52 HN GLU 52 -9.608 -2.814 2.334
388 HA GLU 52 HA GLU 52 -11.342 -3.918 4.384
389 HB2 GLU 52 2HB GLU 52 -8.690 -3.002 4.317
390 HB3 GLU 52 3HB GLU 52 -9.557 -1.848 5.321
391 HG2 GLU 52 2HG GLU 52 -10.102 -4.686 5.875
392 HG3 GLU 52 3HG GLU 52 -8.471 -4.126 6.241
393 H LEU 53 HN LEU 53 -12.654 -2.271 2.498
394 HA LEU 53 HA LEU 53 -14.232 -0.635 2.436
395 HB2 LEU 53 2HB LEU 53 -14.047 -1.395 5.153
396 HB3 LEU 53 3HB LEU 53 -14.168 0.363 5.109
397 HG LEU 53 HG LEU 53 -16.124 -0.858 3.367
398 HD11 LEU 53 1HD1 LEU 53 -17.507 -1.879 5.099
399 HD12 LEU 53 2HD1 LEU 53 -16.217 -1.644 6.276
400 HD13 LEU 53 3HD1 LEU 53 -15.977 -2.736 4.913
401 HD21 LEU 53 1HD2 LEU 53 -16.705 0.672 5.869
402 HD22 LEU 53 2HD2 LEU 53 -17.531 0.715 4.311
403 HD23 LEU 53 3HD2 LEU 53 -15.950 1.477 4.493
Start of MODEL 18
1 H1 SER 1 HN SER 1 7.529 9.695 12.332
2 HA SER 1 HA SER 1 7.628 10.560 10.226
3 HB2 SER 1 2HB SER 1 8.731 12.935 11.747
4 HB3 SER 1 3HB SER 1 8.115 12.984 10.096
5 HG SER 1 HG SER 1 6.708 13.413 12.167
6 H ASP 2 HN ASP 2 9.484 8.862 10.158
7 HA ASP 2 HA ASP 2 11.912 10.240 9.215
8 HB2 ASP 2 2HB ASP 2 11.731 7.536 10.561
9 HB3 ASP 2 3HB ASP 2 13.201 8.243 9.898
10 H ARG 3 HN ARG 3 9.267 8.503 8.302
11 HA ARG 3 HA ARG 3 8.692 7.743 6.207
12 HB2 ARG 3 2HB ARG 3 11.571 7.559 5.390
13 HB3 ARG 3 3HB ARG 3 10.153 7.862 4.395
14 HG2 ARG 3 2HG ARG 3 10.346 9.979 6.258
15 HG3 ARG 3 3HG ARG 3 11.948 9.729 5.563
16 HD2 ARG 3 2HD ARG 3 10.975 9.850 3.312
17 HD3 ARG 3 3HD ARG 3 9.386 10.132 4.023
18 HE ARG 3 HE ARG 3 9.974 12.313 4.390
19 HH11 ARG 3 1HH1 ARG 3 12.838 10.457 3.703
20 HH12 ARG 3 2HH1 ARG 3 13.871 11.843 3.604
21 HH21 ARG 3 1HH2 ARG 3 11.325 14.147 4.263
22 HH22 ARG 3 2HH2 ARG 3 13.009 13.943 3.924
23 H THR 4 HN THR 4 8.263 5.927 7.746
24 HA THR 4 HA THR 4 9.953 3.602 7.089
25 HB THR 4 HB THR 4 8.298 3.211 9.443
26 HG1 THR 4 1HG THR 4 9.115 4.769 10.729
27 HG21 THR 4 1HG2 THR 4 10.367 2.399 10.384
28 HG22 THR 4 2HG2 THR 4 11.297 3.167 9.096
29 HG23 THR 4 3HG2 THR 4 10.226 1.816 8.725
30 H CYS 5 HN CYS 5 8.948 1.684 6.534
31 HA CYS 5 HA CYS 5 6.574 1.790 5.115
32 HB2 CYS 5 2HB CYS 5 8.338 -0.004 4.981
33 HB3 CYS 5 3HB CYS 5 7.669 -0.685 6.459
34 H ALA 6 HN ALA 6 4.452 1.290 5.538
35 HA ALA 6 HA ALA 6 3.640 1.510 8.314
36 HB1 ALA 6 1HB ALA 6 2.348 1.866 5.686
37 HB2 ALA 6 2HB ALA 6 1.311 1.294 6.993
38 HB3 ALA 6 3HB ALA 6 2.194 2.810 7.168
39 H ARG 7 HN ARG 7 4.732 -0.999 6.706
40 HA ARG 7 HA ARG 7 2.831 -2.865 7.957
41 HB2 ARG 7 2HB ARG 7 4.275 -3.673 5.472
42 HB3 ARG 7 3HB ARG 7 2.735 -4.238 6.105
43 HG2 ARG 7 2HG ARG 7 3.136 -1.484 4.970
44 HG3 ARG 7 3HG ARG 7 2.618 -2.868 4.006
45 HD2 ARG 7 2HD ARG 7 0.598 -3.070 5.181
46 HD3 ARG 7 3HD ARG 7 1.172 -2.061 6.508
47 HE ARG 7 HE ARG 7 1.008 -0.709 3.967
48 HH11 ARG 7 1HH1 ARG 7 -0.673 -1.580 6.889
49 HH12 ARG 7 2HH1 ARG 7 -1.823 -0.289 6.768
50 HH21 ARG 7 1HH2 ARG 7 -0.500 0.994 3.796
51 HH22 ARG 7 2HH2 ARG 7 -1.724 1.174 5.007
52 H CYS 8 HN CYS 8 6.125 -2.248 6.866
53 HA CYS 8 HA CYS 8 7.082 -4.494 8.497
54 HB2 CYS 8 2HB CYS 8 8.648 -2.841 6.509
55 HB3 CYS 8 3HB CYS 8 9.149 -4.352 7.260
56 H GLN 9 HN GLN 9 7.023 -1.047 8.285
57 HA GLN 9 HA GLN 9 7.707 0.587 9.713
58 HB2 GLN 9 2HB GLN 9 7.626 -1.825 11.391
59 HB3 GLN 9 3HB GLN 9 8.697 -0.565 11.990
60 HG2 GLN 9 2HG GLN 9 6.198 0.575 11.167
61 HG3 GLN 9 3HG GLN 9 5.925 -0.750 12.298
62 HE21 GLN 9 1HE2 GLN 9 8.069 2.046 11.870
63 HE22 GLN 9 2HE2 GLN 9 8.054 2.527 13.529
64 H GLU 10 HN GLU 10 9.566 -0.894 7.881
65 HA GLU 10 HA GLU 10 12.125 -0.413 9.233
66 HB2 GLU 10 2HB GLU 10 11.222 -2.211 7.091
67 HB3 GLU 10 3HB GLU 10 12.772 -1.443 6.782
68 HG2 GLU 10 2HG GLU 10 13.544 -2.256 9.002
69 HG3 GLU 10 3HG GLU 10 12.030 -3.148 9.145
70 H SER 11 HN SER 11 13.473 1.188 8.641
71 HA SER 11 HA SER 11 12.719 3.493 7.477
72 HB2 SER 11 2HB SER 11 15.303 2.182 7.917
73 HB3 SER 11 3HB SER 11 15.328 3.350 6.595
74 HG SER 11 HG SER 11 14.363 3.870 9.215
75 H LEU 12 HN LEU 12 12.794 4.460 5.434
76 HA LEU 12 HA LEU 12 12.468 2.578 3.227
77 HB2 LEU 12 2HB LEU 12 11.696 5.428 3.690
78 HB3 LEU 12 3HB LEU 12 11.764 4.786 2.050
79 HG LEU 12 HG LEU 12 9.521 4.825 3.454
80 HD11 LEU 12 1HD1 LEU 12 10.518 2.721 1.561
81 HD12 LEU 12 2HD1 LEU 12 9.472 4.102 1.231
82 HD13 LEU 12 3HD1 LEU 12 8.857 2.731 2.153
83 HD21 LEU 12 1HD2 LEU 12 10.680 3.401 5.237
84 HD22 LEU 12 2HD2 LEU 12 10.513 2.066 4.098
85 HD23 LEU 12 3HD2 LEU 12 9.077 2.897 4.701
86 H GLY 13 HN GLY 13 15.116 3.142 4.268
87 HA2 GLY 13 1HA GLY 13 16.663 4.973 2.983
88 HA3 GLY 13 2HA GLY 13 17.208 3.334 3.311
89 H ARG 14 HN ARG 14 17.038 5.527 0.951
90 HA ARG 14 HA ARG 14 16.887 5.500 -1.336
91 HB2 ARG 14 2HB ARG 14 18.156 2.780 -1.004
92 HB3 ARG 14 3HB ARG 14 18.318 3.873 -2.373
93 HG2 ARG 14 2HG ARG 14 19.348 5.507 -0.676
94 HG3 ARG 14 3HG ARG 14 19.521 4.087 0.357
95 HD2 ARG 14 2HD ARG 14 20.438 3.721 -2.407
96 HD3 ARG 14 3HD ARG 14 21.353 4.908 -1.477
97 HE ARG 14 HE ARG 14 21.411 2.077 -1.165
98 HH11 ARG 14 1HH1 ARG 14 21.677 5.085 0.568
99 HH12 ARG 14 2HH1 ARG 14 22.660 4.421 1.831
100 HH21 ARG 14 1HH2 ARG 14 22.705 1.192 0.491
101 HH22 ARG 14 2HH2 ARG 14 23.245 2.206 1.785
102 H LEU 15 HN LEU 15 14.581 5.368 -1.435
103 HA LEU 15 HA LEU 15 13.680 2.967 -2.791
104 HB2 LEU 15 2HB LEU 15 13.249 3.019 -0.147
105 HB3 LEU 15 3HB LEU 15 11.831 3.917 -0.686
106 HG LEU 15 HG LEU 15 12.036 1.574 -2.279
107 HD11 LEU 15 1HD1 LEU 15 11.608 0.013 -0.218
108 HD12 LEU 15 2HD1 LEU 15 12.633 1.182 0.613
109 HD13 LEU 15 3HD1 LEU 15 13.247 0.317 -0.795
110 HD21 LEU 15 1HD2 LEU 15 10.087 3.080 -1.191
111 HD22 LEU 15 2HD2 LEU 15 10.058 1.698 -0.095
112 HD23 LEU 15 3HD2 LEU 15 9.829 1.455 -1.828
113 H SER 16 HN SER 16 13.013 6.226 -1.644
114 HA SER 16 HA SER 16 12.133 8.002 -2.817
115 HB2 SER 16 2HB SER 16 11.101 6.165 -4.960
116 HB3 SER 16 3HB SER 16 11.591 7.854 -5.089
117 HG SER 16 HG SER 16 13.705 6.541 -4.266
118 HA PRO 17 HA PRO 17 8.187 6.598 -0.883
119 HB2 PRO 17 2HB PRO 17 7.994 8.735 0.780
120 HB3 PRO 17 3HB PRO 17 8.927 7.289 1.180
121 HG2 PRO 17 2HG PRO 17 9.876 9.917 0.106
122 HG3 PRO 17 3HG PRO 17 10.584 8.907 1.381
123 HD2 PRO 17 2HD PRO 17 11.541 8.939 -1.152
124 HD3 PRO 17 3HD PRO 17 11.596 7.489 -0.130
125 H LYS 18 HN LYS 18 9.151 8.933 -3.006
126 HA LYS 18 HA LYS 18 6.937 10.719 -2.952
127 HB2 LYS 18 2HB LYS 18 9.028 11.389 -3.978
128 HB3 LYS 18 3HB LYS 18 8.921 10.072 -5.138
129 HG2 LYS 18 2HG LYS 18 8.300 12.088 -6.242
130 HG3 LYS 18 3HG LYS 18 6.844 11.112 -6.032
131 HD2 LYS 18 2HD LYS 18 5.968 12.523 -4.434
132 HD3 LYS 18 3HD LYS 18 7.553 13.137 -3.956
133 HE2 LYS 18 2HE LYS 18 6.527 13.689 -6.705
134 HE3 LYS 18 3HE LYS 18 5.909 14.628 -5.347
135 HZ1 LYS 18 1HZ LYS 18 8.446 14.788 -6.663
136 HZ2 LYS 18 2HZ LYS 18 8.606 14.649 -4.985
137 HZ3 LYS 18 3HZ LYS 18 7.686 15.907 -5.645
138 H THR 19 HN THR 19 7.401 7.550 -4.178
139 HA THR 19 HA THR 19 4.706 7.612 -5.327
140 HB THR 19 HB THR 19 5.371 6.331 -7.279
141 HG1 THR 19 1HG THR 19 7.841 6.336 -7.563
142 HG21 THR 19 1HG2 THR 19 6.043 8.126 -8.494
143 HG22 THR 19 2HG2 THR 19 7.385 8.491 -7.410
144 HG23 THR 19 3HG2 THR 19 5.745 8.978 -6.981
145 H ASN 20 HN ASN 20 5.969 6.545 -2.851
146 HA ASN 20 HA ASN 20 5.196 3.725 -3.210
147 HB2 ASN 20 2HB ASN 20 7.388 4.857 -1.462
148 HB3 ASN 20 3HB ASN 20 6.810 3.197 -1.360
149 HD21 ASN 20 1HD2 ASN 20 9.398 4.565 -2.204
150 HD22 ASN 20 2HD2 ASN 20 9.792 3.800 -3.702
151 H THR 21 HN THR 21 3.633 6.098 -2.391
152 HA THR 21 HA THR 21 2.975 5.352 0.379
153 HB THR 21 HB THR 21 2.216 7.875 -1.106
154 HG1 THR 21 1HG THR 21 4.537 7.378 -0.323
155 HG21 THR 21 1HG2 THR 21 1.596 8.680 1.162
156 HG22 THR 21 2HG2 THR 21 1.875 7.051 1.779
157 HG23 THR 21 3HG2 THR 21 0.594 7.342 0.602
158 H CYS 22 HN CYS 22 1.367 3.928 0.474
159 HA CYS 22 HA CYS 22 -0.364 3.068 -1.393
160 HB2 CYS 22 2HB CYS 22 -0.175 2.255 0.989
161 HB3 CYS 22 3HB CYS 22 -1.246 3.574 1.452
162 H ARG 23 HN ARG 23 -2.305 3.637 -2.295
163 HA ARG 23 HA ARG 23 -3.004 6.455 -2.107
164 HB2 ARG 23 2HB ARG 23 -3.929 6.253 -4.189
165 HB3 ARG 23 3HB ARG 23 -2.792 4.913 -4.260
166 HG2 ARG 23 2HG ARG 23 -4.530 3.335 -3.768
167 HG3 ARG 23 3HG ARG 23 -5.687 4.637 -3.487
168 HD2 ARG 23 2HD ARG 23 -4.671 5.141 -6.023
169 HD3 ARG 23 3HD ARG 23 -4.866 3.390 -5.968
170 HE ARG 23 HE ARG 23 -7.211 4.359 -4.975
171 HH11 ARG 23 1HH1 ARG 23 -5.401 4.850 -7.908
172 HH12 ARG 23 2HH1 ARG 23 -6.804 5.163 -8.875
173 HH21 ARG 23 1HH2 ARG 23 -9.066 4.770 -6.238
174 HH22 ARG 23 2HH2 ARG 23 -8.888 5.118 -7.924
175 H GLY 24 HN GLY 24 -3.948 3.589 -0.659
176 HA2 GLY 24 1HA GLY 24 -6.683 4.588 -0.182
177 HA3 GLY 24 2HA GLY 24 -6.194 2.906 -0.043
178 H CYS 25 HN CYS 25 -3.657 4.258 1.276
179 HA CYS 25 HA CYS 25 -4.878 4.511 3.947
180 HB2 CYS 25 2HB CYS 25 -2.289 3.165 3.155
181 HB3 CYS 25 3HB CYS 25 -2.724 3.533 4.822
182 H ASN 26 HN ASN 26 -2.438 5.618 1.700
183 HA ASN 26 HA ASN 26 -1.431 7.670 1.535
184 HB2 ASN 26 2HB ASN 26 -3.562 8.227 3.203
185 HB3 ASN 26 3HB ASN 26 -2.172 8.748 4.150
186 HD21 ASN 26 1HD2 ASN 26 -3.786 9.098 1.048
187 HD22 ASN 26 2HD2 ASN 26 -3.191 10.684 0.709
188 H HIS 27 HN HIS 27 -0.518 5.237 3.116
189 HA HIS 27 HA HIS 27 1.587 6.567 4.691
190 HB2 HIS 27 2HB HIS 27 0.466 3.771 4.971
191 HB3 HIS 27 3HB HIS 27 1.812 4.415 5.907
192 HD1 HIS 27 1HD HIS 27 0.812 7.073 6.836
193 HD2 HIS 27 2HD HIS 27 -1.625 3.712 6.677
194 HE1 HIS 27 1HE HIS 27 -1.059 7.522 8.454
195 H LEU 28 HN LEU 28 3.689 5.392 4.726
196 HA LEU 28 HA LEU 28 4.547 4.886 2.045
197 HB2 LEU 28 2HB LEU 28 5.959 4.720 4.698
198 HB3 LEU 28 3HB LEU 28 6.753 4.417 3.155
199 HG LEU 28 HG LEU 28 5.620 7.015 4.171
200 HD11 LEU 28 1HD1 LEU 28 7.937 6.186 4.838
201 HD12 LEU 28 2HD1 LEU 28 7.826 7.797 4.131
202 HD13 LEU 28 3HD1 LEU 28 8.384 6.441 3.151
203 HD21 LEU 28 1HD2 LEU 28 6.427 7.931 1.974
204 HD22 LEU 28 2HD2 LEU 28 4.974 6.934 1.887
205 HD23 LEU 28 3HD2 LEU 28 6.534 6.265 1.402
206 H VAL 29 HN VAL 29 5.451 2.976 1.206
207 HA VAL 29 HA VAL 29 5.259 0.517 2.722
208 HB VAL 29 HB VAL 29 3.933 0.019 0.220
209 HG11 VAL 29 1HG1 VAL 29 3.984 -1.052 2.709
210 HG12 VAL 29 2HG1 VAL 29 2.425 -0.226 2.731
211 HG13 VAL 29 3HG1 VAL 29 2.769 -1.430 1.488
212 HG21 VAL 29 1HG2 VAL 29 1.824 1.205 0.688
213 HG22 VAL 29 2HG2 VAL 29 2.618 2.066 2.006
214 HG23 VAL 29 3HG2 VAL 29 3.153 2.312 0.344
215 H CYS 30 HN CYS 30 7.049 -0.567 2.270
216 HA CYS 30 HA CYS 30 8.925 0.054 0.368
217 HB2 CYS 30 2HB CYS 30 9.830 -2.222 0.708
218 HB3 CYS 30 3HB CYS 30 9.407 -1.442 2.227
219 H ARG 31 HN ARG 31 9.670 -1.733 -1.328
220 HA ARG 31 HA ARG 31 7.544 -1.800 -3.301
221 HB2 ARG 31 2HB ARG 31 10.350 -2.821 -3.684
222 HB3 ARG 31 3HB ARG 31 9.225 -2.239 -4.904
223 HG2 ARG 31 2HG ARG 31 9.500 -0.052 -3.290
224 HG3 ARG 31 3HG ARG 31 11.111 -0.770 -3.234
225 HD2 ARG 31 2HD ARG 31 10.736 -0.946 -5.842
226 HD3 ARG 31 3HD ARG 31 9.613 0.377 -5.534
227 HE ARG 31 HE ARG 31 11.415 1.748 -5.321
228 HH11 ARG 31 1HH1 ARG 31 12.435 -1.512 -4.649
229 HH12 ARG 31 2HH1 ARG 31 14.103 -1.087 -4.448
230 HH21 ARG 31 1HH2 ARG 31 13.608 2.319 -5.061
231 HH22 ARG 31 2HH2 ARG 31 14.769 1.093 -4.683
232 H ASP 32 HN ASP 32 7.763 -3.643 -0.870
233 HA ASP 32 HA ASP 32 7.380 -6.151 -2.365
234 HB2 ASP 32 2HB ASP 32 9.511 -6.154 -1.062
235 HB3 ASP 32 3HB ASP 32 8.565 -5.936 0.409
236 H CYS 33 HN CYS 33 6.040 -3.832 -0.379
237 HA CYS 33 HA CYS 33 4.060 -5.696 0.738
238 HB2 CYS 33 2HB CYS 33 4.899 -2.911 1.531
239 HB3 CYS 33 3HB CYS 33 3.413 -3.641 2.129
240 H ARG 34 HN ARG 34 4.386 -4.188 -2.008
241 HA ARG 34 HA ARG 34 1.699 -3.003 -2.084
242 HB2 ARG 34 2HB ARG 34 3.460 -2.789 -4.452
243 HB3 ARG 34 3HB ARG 34 2.414 -1.585 -3.712
244 HG2 ARG 34 2HG ARG 34 4.030 -1.045 -2.077
245 HG3 ARG 34 3HG ARG 34 5.009 -2.457 -2.477
246 HD2 ARG 34 2HD ARG 34 4.447 -0.246 -4.440
247 HD3 ARG 34 3HD ARG 34 5.834 -0.227 -3.351
248 HE ARG 34 HE ARG 34 5.974 -2.649 -4.609
249 HH11 ARG 34 1HH1 ARG 34 5.850 0.674 -5.643
250 HH12 ARG 34 2HH1 ARG 34 6.773 0.396 -7.083
251 HH21 ARG 34 1HH2 ARG 34 7.190 -3.026 -6.502
252 HH22 ARG 34 2HH2 ARG 34 7.533 -1.708 -7.571
253 H ILE 35 HN ILE 35 0.151 -3.714 -3.513
254 HA ILE 35 HA ILE 35 0.748 -6.258 -4.874
255 HB ILE 35 HB ILE 35 -1.742 -5.291 -3.505
256 HG12 ILE 35 2HG1 ILE 35 -1.619 -7.552 -2.482
257 HG13 ILE 35 3HG1 ILE 35 -0.151 -7.864 -3.401
258 HG21 ILE 35 1HG2 ILE 35 -2.789 -7.414 -4.497
259 HG22 ILE 35 2HG2 ILE 35 -2.675 -5.987 -5.524
260 HG23 ILE 35 3HG2 ILE 35 -1.518 -7.304 -5.713
261 HD11 ILE 35 1HD1 ILE 35 -0.034 -7.077 -0.918
262 HD12 ILE 35 2HD1 ILE 35 1.115 -6.463 -2.107
263 HD13 ILE 35 3HD1 ILE 35 -0.268 -5.479 -1.626
264 H GLN 36 HN GLN 36 1.063 -5.842 -6.969
265 HA GLN 36 HA GLN 36 0.237 -3.679 -8.442
266 HB2 GLN 36 2HB GLN 36 0.955 -6.487 -9.161
267 HB3 GLN 36 3HB GLN 36 0.296 -5.439 -10.410
268 HG2 GLN 36 2HG GLN 36 2.800 -5.024 -8.802
269 HG3 GLN 36 3HG GLN 36 2.667 -5.335 -10.532
270 HE21 GLN 36 1HE2 GLN 36 2.382 -2.986 -8.009
271 HE22 GLN 36 2HE2 GLN 36 2.233 -1.599 -9.029
272 H GLU 37 HN GLU 37 -1.699 -2.920 -8.952
273 HA GLU 37 HA GLU 37 -3.992 -4.745 -8.933
274 HB2 GLU 37 2HB GLU 37 -3.855 -1.728 -8.830
275 HB3 GLU 37 3HB GLU 37 -5.348 -2.654 -8.857
276 HG2 GLU 37 2HG GLU 37 -3.258 -3.029 -6.737
277 HG3 GLU 37 3HG GLU 37 -4.549 -1.837 -6.602
278 H SER 38 HN SER 38 -5.752 -4.192 -10.546
279 HA SER 38 HA SER 38 -4.529 -4.061 -13.191
280 HB2 SER 38 2HB SER 38 -7.302 -4.856 -12.281
281 HB3 SER 38 3HB SER 38 -6.797 -4.813 -13.969
282 HG SER 38 HG SER 38 -4.992 -6.184 -12.562
283 H ASN 39 HN ASN 39 -5.420 -1.790 -11.180
284 HA ASN 39 HA ASN 39 -7.045 -0.225 -13.047
285 HB2 ASN 39 2HB ASN 39 -7.153 -0.487 -10.296
286 HB3 ASN 39 3HB ASN 39 -6.351 1.065 -10.519
287 HD21 ASN 39 1HD2 ASN 39 -7.995 2.353 -9.868
288 HD22 ASN 39 2HD2 ASN 39 -9.501 2.490 -10.705
289 H GLY 40 HN GLY 40 -3.880 -0.804 -12.587
290 HA2 GLY 40 1HA GLY 40 -2.190 0.346 -13.794
291 HA3 GLY 40 2HA GLY 40 -3.148 1.816 -13.681
292 H THR 41 HN THR 41 -3.500 0.930 -10.708
293 HA THR 41 HA THR 41 -0.980 2.159 -9.805
294 HB THR 41 HB THR 41 -3.187 3.388 -9.394
295 HG1 THR 41 1HG THR 41 -1.758 4.251 -8.085
296 HG21 THR 41 1HG2 THR 41 -4.752 2.580 -7.961
297 HG22 THR 41 2HG2 THR 41 -3.563 1.735 -6.970
298 HG23 THR 41 3HG2 THR 41 -4.105 1.028 -8.493
299 H TRP 42 HN TRP 42 -1.492 1.614 -7.034
300 HA TRP 42 HA TRP 42 -1.594 -1.276 -6.787
301 HB2 TRP 42 2HB TRP 42 0.608 -1.393 -5.651
302 HB3 TRP 42 3HB TRP 42 0.743 -0.938 -7.346
303 HD1 TRP 42 1HD TRP 42 1.958 1.291 -7.882
304 HE1 TRP 42 1HE TRP 42 3.023 3.153 -6.461
305 HE3 TRP 42 3HE TRP 42 0.253 -0.128 -3.276
306 HZ2 TRP 42 2HZ TRP 42 3.127 3.919 -3.746
307 HZ3 TRP 42 3HZ TRP 42 0.882 1.223 -1.318
308 HH2 TRP 42 2HH TRP 42 2.289 3.205 -1.550
309 H ARG 43 HN ARG 43 -1.774 -2.000 -4.600
310 HA ARG 43 HA ARG 43 -2.194 0.089 -2.589
311 HB2 ARG 43 2HB ARG 43 -4.196 -2.005 -3.423
312 HB3 ARG 43 3HB ARG 43 -4.271 -1.204 -1.858
313 HG2 ARG 43 2HG ARG 43 -4.014 0.834 -3.772
314 HG3 ARG 43 3HG ARG 43 -5.209 -0.299 -4.401
315 HD2 ARG 43 2HD ARG 43 -5.365 0.553 -1.547
316 HD3 ARG 43 3HD ARG 43 -5.923 1.654 -2.805
317 HE ARG 43 HE ARG 43 -7.178 -0.655 -3.423
318 HH11 ARG 43 1HH1 ARG 43 -6.905 1.195 -0.487
319 HH12 ARG 43 2HH1 ARG 43 -8.455 0.711 0.117
320 HH21 ARG 43 1HH2 ARG 43 -9.221 -1.300 -2.639
321 HH22 ARG 43 2HH2 ARG 43 -9.770 -0.710 -1.107
322 H CYS 44 HN CYS 44 -1.396 -0.425 -0.644
323 HA CYS 44 HA CYS 44 0.360 -2.404 -0.131
324 HB2 CYS 44 2HB CYS 44 0.122 -1.966 2.176
325 HB3 CYS 44 3HB CYS 44 -0.339 -0.464 1.381
326 H LYS 45 HN LYS 45 0.244 -4.364 1.201
327 HA LYS 45 HA LYS 45 -1.555 -6.243 0.151
328 HB2 LYS 45 2HB LYS 45 -0.287 -6.791 2.784
329 HB3 LYS 45 3HB LYS 45 -0.394 -7.810 1.355
330 HG2 LYS 45 2HG LYS 45 1.234 -5.998 0.356
331 HG3 LYS 45 3HG LYS 45 1.604 -5.727 2.060
332 HD2 LYS 45 2HD LYS 45 3.152 -7.343 1.507
333 HD3 LYS 45 3HD LYS 45 1.826 -8.329 2.127
334 HE2 LYS 45 2HE LYS 45 1.046 -8.704 -0.167
335 HE3 LYS 45 3HE LYS 45 2.383 -7.731 -0.778
336 HZ1 LYS 45 1HZ LYS 45 2.359 -10.468 -0.038
337 HZ2 LYS 45 2HZ LYS 45 3.521 -9.633 0.862
338 HZ3 LYS 45 3HZ LYS 45 3.569 -9.586 -0.827
339 H VAL 46 HN VAL 46 -1.842 -4.055 2.784
340 HA VAL 46 HA VAL 46 -3.893 -5.509 4.182
341 HB VAL 46 HB VAL 46 -3.549 -2.569 4.546
342 HG11 VAL 46 1HG1 VAL 46 -3.788 -4.814 6.542
343 HG12 VAL 46 2HG1 VAL 46 -3.971 -3.086 6.846
344 HG13 VAL 46 3HG1 VAL 46 -5.161 -3.940 5.865
345 HG21 VAL 46 1HG2 VAL 46 -1.414 -4.570 4.838
346 HG22 VAL 46 2HG2 VAL 46 -1.312 -2.821 4.642
347 HG23 VAL 46 3HG2 VAL 46 -1.651 -3.512 6.229
348 H CYS 47 HN CYS 47 -3.756 -3.264 1.561
349 HA CYS 47 HA CYS 47 -6.631 -2.730 1.723
350 HB2 CYS 47 2HB CYS 47 -4.392 -1.515 0.113
351 HB3 CYS 47 3HB CYS 47 -6.082 -1.201 -0.267
352 H ALA 48 HN ALA 48 -4.238 -3.786 -0.701
353 HA ALA 48 HA ALA 48 -6.128 -4.610 -2.620
354 HB1 ALA 48 1HB ALA 48 -3.991 -6.144 -3.221
355 HB2 ALA 48 2HB ALA 48 -4.135 -4.441 -3.657
356 HB3 ALA 48 3HB ALA 48 -3.227 -4.910 -2.221
357 H LYS 49 HN LYS 49 -5.214 -5.993 0.339
358 HA LYS 49 HA LYS 49 -5.177 -8.652 0.182
359 HB2 LYS 49 2HB LYS 49 -5.436 -7.224 2.270
360 HB3 LYS 49 3HB LYS 49 -7.172 -7.300 1.997
361 HG2 LYS 49 2HG LYS 49 -6.960 -9.043 3.427
362 HG3 LYS 49 3HG LYS 49 -6.666 -9.900 1.913
363 HD2 LYS 49 2HD LYS 49 -4.203 -9.444 2.290
364 HD3 LYS 49 3HD LYS 49 -4.644 -8.924 3.919
365 HE2 LYS 49 2HE LYS 49 -5.935 -11.330 3.694
366 HE3 LYS 49 3HE LYS 49 -4.451 -11.613 2.785
367 HZ1 LYS 49 1HZ LYS 49 -4.260 -10.326 5.413
368 HZ2 LYS 49 2HZ LYS 49 -3.159 -11.344 4.630
369 HZ3 LYS 49 3HZ LYS 49 -4.543 -11.994 5.354
370 H GLU 50 HN GLU 50 -8.325 -6.974 0.337
371 HA GLU 50 HA GLU 50 -9.392 -8.747 -1.699
372 HB2 GLU 50 2HB GLU 50 -10.437 -8.699 1.132
373 HB3 GLU 50 3HB GLU 50 -11.359 -9.327 -0.226
374 HG2 GLU 50 2HG GLU 50 -9.645 -11.004 -0.633
375 HG3 GLU 50 3HG GLU 50 -8.689 -10.362 0.701
376 H ILE 51 HN ILE 51 -11.881 -8.206 -1.917
377 HA ILE 51 HA ILE 51 -12.014 -5.450 -2.608
378 HB ILE 51 HB ILE 51 -13.213 -7.182 -3.879
379 HG12 ILE 51 2HG1 ILE 51 -15.583 -5.754 -3.155
380 HG13 ILE 51 3HG1 ILE 51 -14.212 -4.655 -3.038
381 HG21 ILE 51 1HG2 ILE 51 -13.915 -8.270 -1.551
382 HG22 ILE 51 2HG2 ILE 51 -15.377 -7.336 -1.864
383 HG23 ILE 51 3HG2 ILE 51 -14.830 -8.535 -3.035
384 HD11 ILE 51 1HD1 ILE 51 -14.589 -6.356 -5.463
385 HD12 ILE 51 2HD1 ILE 51 -15.479 -4.846 -5.267
386 HD13 ILE 51 3HD1 ILE 51 -13.715 -4.834 -5.288
387 H GLU 52 HN GLU 52 -12.463 -3.799 -1.322
388 HA GLU 52 HA GLU 52 -14.383 -4.163 0.861
389 HB2 GLU 52 2HB GLU 52 -11.896 -4.301 1.595
390 HB3 GLU 52 3HB GLU 52 -11.885 -2.564 1.323
391 HG2 GLU 52 2HG GLU 52 -13.709 -4.041 3.207
392 HG3 GLU 52 3HG GLU 52 -12.286 -3.105 3.661
393 H LEU 53 HN LEU 53 -15.941 -2.952 -0.143
394 HA LEU 53 HA LEU 53 -17.093 -1.058 -0.665
395 HB2 LEU 53 2HB LEU 53 -15.358 -0.253 1.278
396 HB3 LEU 53 3HB LEU 53 -14.943 0.836 -0.045
397 HG LEU 53 HG LEU 53 -17.810 0.547 0.709
398 HD11 LEU 53 1HD1 LEU 53 -16.825 0.815 2.870
399 HD12 LEU 53 2HD1 LEU 53 -17.497 2.369 2.380
400 HD13 LEU 53 3HD1 LEU 53 -15.758 2.091 2.283
401 HD21 LEU 53 1HD2 LEU 53 -18.038 2.612 -0.263
402 HD22 LEU 53 2HD2 LEU 53 -16.705 1.949 -1.209
403 HD23 LEU 53 3HD2 LEU 53 -16.378 3.089 0.097
Start of MODEL 19
1 H1 SER 1 HN SER 1 9.297 11.390 12.833
2 HA SER 1 HA SER 1 7.759 10.044 10.836
3 HB2 SER 1 2HB SER 1 7.216 12.757 11.058
4 HB3 SER 1 3HB SER 1 8.389 12.676 9.743
5 HG SER 1 HG SER 1 6.503 12.328 8.742
6 H ASP 2 HN ASP 2 9.410 8.754 10.275
7 HA ASP 2 HA ASP 2 11.911 10.046 9.398
8 HB2 ASP 2 2HB ASP 2 11.433 7.718 11.133
9 HB3 ASP 2 3HB ASP 2 12.639 7.454 9.877
10 H ARG 3 HN ARG 3 9.207 8.342 8.434
11 HA ARG 3 HA ARG 3 8.606 7.688 6.310
12 HB2 ARG 3 2HB ARG 3 11.477 7.617 5.444
13 HB3 ARG 3 3HB ARG 3 10.038 7.916 4.479
14 HG2 ARG 3 2HG ARG 3 10.285 9.936 6.494
15 HG3 ARG 3 3HG ARG 3 11.792 9.800 5.584
16 HD2 ARG 3 2HD ARG 3 10.851 10.529 3.656
17 HD3 ARG 3 3HD ARG 3 9.298 9.768 4.002
18 HE ARG 3 HE ARG 3 9.881 12.019 5.691
19 HH11 ARG 3 1HH1 ARG 3 8.556 10.998 2.637
20 HH12 ARG 3 2HH1 ARG 3 7.556 12.401 2.455
21 HH21 ARG 3 1HH2 ARG 3 8.568 13.870 5.461
22 HH22 ARG 3 2HH2 ARG 3 7.565 14.035 4.061
23 H THR 4 HN THR 4 8.358 5.811 7.914
24 HA THR 4 HA THR 4 10.014 3.543 7.017
25 HB THR 4 HB THR 4 8.529 2.975 9.430
26 HG1 THR 4 1HG THR 4 9.821 4.443 10.750
27 HG21 THR 4 1HG2 THR 4 10.942 2.595 10.237
28 HG22 THR 4 2HG2 THR 4 11.409 2.963 8.578
29 HG23 THR 4 3HG2 THR 4 10.349 1.595 8.912
30 H CYS 5 HN CYS 5 9.022 1.688 6.333
31 HA CYS 5 HA CYS 5 6.647 1.728 5.023
32 HB2 CYS 5 2HB CYS 5 8.409 -0.123 5.075
33 HB3 CYS 5 3HB CYS 5 7.563 -0.743 6.490
34 H ALA 6 HN ALA 6 4.521 0.981 5.441
35 HA ALA 6 HA ALA 6 3.705 1.371 8.232
36 HB1 ALA 6 1HB ALA 6 2.440 1.889 5.611
37 HB2 ALA 6 2HB ALA 6 1.373 1.383 6.921
38 HB3 ALA 6 3HB ALA 6 2.378 2.819 7.109
39 H ARG 7 HN ARG 7 4.564 -1.138 6.419
40 HA ARG 7 HA ARG 7 2.525 -2.912 7.593
41 HB2 ARG 7 2HB ARG 7 4.045 -3.580 5.085
42 HB3 ARG 7 3HB ARG 7 2.570 -4.313 5.700
43 HG2 ARG 7 2HG ARG 7 2.879 -1.586 4.470
44 HG3 ARG 7 3HG ARG 7 2.007 -2.973 3.814
45 HD2 ARG 7 2HD ARG 7 1.240 -1.084 5.972
46 HD3 ARG 7 3HD ARG 7 0.258 -1.803 4.696
47 HE ARG 7 HE ARG 7 0.782 -3.931 6.216
48 HH11 ARG 7 1HH1 ARG 7 -0.275 -0.724 7.059
49 HH12 ARG 7 2HH1 ARG 7 -1.151 -1.239 8.462
50 HH21 ARG 7 1HH2 ARG 7 -0.367 -4.623 8.060
51 HH22 ARG 7 2HH2 ARG 7 -1.202 -3.458 9.031
52 H CYS 8 HN CYS 8 5.903 -2.481 6.695
53 HA CYS 8 HA CYS 8 6.602 -4.730 8.469
54 HB2 CYS 8 2HB CYS 8 8.633 -5.024 7.165
55 HB3 CYS 8 3HB CYS 8 7.232 -5.086 6.101
56 H GLN 9 HN GLN 9 6.716 -1.390 8.062
57 HA GLN 9 HA GLN 9 7.733 0.307 9.184
58 HB2 GLN 9 2HB GLN 9 7.782 -1.956 11.117
59 HB3 GLN 9 3HB GLN 9 8.760 -0.543 11.495
60 HG2 GLN 9 2HG GLN 9 6.537 -0.463 12.525
61 HG3 GLN 9 3HG GLN 9 6.820 0.878 11.417
62 HE21 GLN 9 1HE2 GLN 9 5.916 -2.472 10.750
63 HE22 GLN 9 2HE2 GLN 9 4.423 -2.100 9.966
64 H GLU 10 HN GLU 10 9.273 -0.342 7.213
65 HA GLU 10 HA GLU 10 11.980 -0.644 8.341
66 HB2 GLU 10 2HB GLU 10 10.750 -1.705 5.836
67 HB3 GLU 10 3HB GLU 10 12.459 -1.292 5.821
68 HG2 GLU 10 2HG GLU 10 12.890 -2.831 7.628
69 HG3 GLU 10 3HG GLU 10 11.170 -3.186 7.772
70 H SER 11 HN SER 11 13.665 0.599 7.369
71 HA SER 11 HA SER 11 13.011 3.281 6.924
72 HB2 SER 11 2HB SER 11 15.216 2.586 7.729
73 HB3 SER 11 3HB SER 11 15.546 1.799 6.186
74 HG SER 11 HG SER 11 16.373 3.687 5.724
75 H LEU 12 HN LEU 12 12.690 4.501 5.133
76 HA LEU 12 HA LEU 12 12.387 3.049 2.601
77 HB2 LEU 12 2HB LEU 12 11.182 5.563 3.699
78 HB3 LEU 12 3HB LEU 12 11.153 5.226 1.970
79 HG LEU 12 HG LEU 12 9.098 4.625 3.435
80 HD11 LEU 12 1HD1 LEU 12 10.276 3.458 1.094
81 HD12 LEU 12 2HD1 LEU 12 8.576 3.733 1.474
82 HD13 LEU 12 3HD1 LEU 12 9.365 2.242 1.989
83 HD21 LEU 12 1HD2 LEU 12 9.123 2.516 4.506
84 HD22 LEU 12 2HD2 LEU 12 10.541 3.384 5.095
85 HD23 LEU 12 3HD2 LEU 12 10.720 2.129 3.868
86 H GLY 13 HN GLY 13 14.944 4.099 3.738
87 HA2 GLY 13 1HA GLY 13 15.915 6.395 2.637
88 HA3 GLY 13 2HA GLY 13 16.873 4.930 2.788
89 H ARG 14 HN ARG 14 17.291 3.689 0.994
90 HA ARG 14 HA ARG 14 17.029 5.016 -1.535
91 HB2 ARG 14 2HB ARG 14 17.982 2.187 -1.171
92 HB3 ARG 14 3HB ARG 14 18.457 3.357 -2.395
93 HG2 ARG 14 2HG ARG 14 19.179 4.563 -0.016
94 HG3 ARG 14 3HG ARG 14 19.572 2.860 0.228
95 HD2 ARG 14 2HD ARG 14 20.347 4.066 -2.363
96 HD3 ARG 14 3HD ARG 14 21.245 4.587 -0.938
97 HE ARG 14 HE ARG 14 21.288 1.903 -0.716
98 HH11 ARG 14 1HH1 ARG 14 22.055 4.071 -3.329
99 HH12 ARG 14 2HH1 ARG 14 23.250 3.025 -4.020
100 HH21 ARG 14 1HH2 ARG 14 22.860 0.517 -1.616
101 HH22 ARG 14 2HH2 ARG 14 23.707 1.003 -3.046
102 H LEU 15 HN LEU 15 14.500 4.639 -0.707
103 HA LEU 15 HA LEU 15 13.525 2.496 -2.477
104 HB2 LEU 15 2HB LEU 15 12.841 3.121 0.315
105 HB3 LEU 15 3HB LEU 15 11.465 2.825 -0.746
106 HG LEU 15 HG LEU 15 13.695 0.937 -0.025
107 HD11 LEU 15 1HD1 LEU 15 11.607 1.281 1.423
108 HD12 LEU 15 2HD1 LEU 15 12.040 -0.368 0.971
109 HD13 LEU 15 3HD1 LEU 15 10.738 0.466 0.122
110 HD21 LEU 15 1HD2 LEU 15 13.522 0.371 -2.232
111 HD22 LEU 15 2HD2 LEU 15 11.856 0.935 -2.364
112 HD23 LEU 15 3HD2 LEU 15 12.208 -0.600 -1.569
113 H SER 16 HN SER 16 13.213 5.758 -1.310
114 HA SER 16 HA SER 16 12.319 7.586 -2.381
115 HB2 SER 16 2HB SER 16 12.569 6.040 -4.490
116 HB3 SER 16 3HB SER 16 10.821 5.869 -4.329
117 HG SER 16 HG SER 16 10.677 7.736 -5.257
118 HA PRO 17 HA PRO 17 8.566 6.538 0.089
119 HB2 PRO 17 2HB PRO 17 8.775 8.699 1.720
120 HB3 PRO 17 3HB PRO 17 9.630 7.181 2.021
121 HG2 PRO 17 2HG PRO 17 10.641 9.710 0.779
122 HG3 PRO 17 3HG PRO 17 11.427 8.656 1.968
123 HD2 PRO 17 2HD PRO 17 12.035 8.585 -0.670
124 HD3 PRO 17 3HD PRO 17 12.106 7.144 0.366
125 H LYS 18 HN LYS 18 9.476 8.856 -2.122
126 HA LYS 18 HA LYS 18 7.232 10.640 -1.811
127 HB2 LYS 18 2HB LYS 18 9.102 10.384 -4.170
128 HB3 LYS 18 3HB LYS 18 8.070 11.753 -3.781
129 HG2 LYS 18 2HG LYS 18 9.488 11.704 -1.542
130 HG3 LYS 18 3HG LYS 18 10.665 10.935 -2.610
131 HD2 LYS 18 2HD LYS 18 10.238 12.887 -4.200
132 HD3 LYS 18 3HD LYS 18 9.434 13.669 -2.838
133 HE2 LYS 18 2HE LYS 18 11.411 14.359 -2.103
134 HE3 LYS 18 3HE LYS 18 11.894 12.679 -1.879
135 HZ1 LYS 18 1HZ LYS 18 12.062 13.594 -4.605
136 HZ2 LYS 18 2HZ LYS 18 13.190 12.738 -3.680
137 HZ3 LYS 18 3HZ LYS 18 13.093 14.421 -3.548
138 H THR 19 HN THR 19 8.012 7.793 -3.668
139 HA THR 19 HA THR 19 5.342 7.927 -4.913
140 HB THR 19 HB THR 19 6.109 7.109 -6.913
141 HG1 THR 19 1HG THR 19 8.133 5.905 -7.037
142 HG21 THR 19 1HG2 THR 19 7.173 9.219 -6.774
143 HG22 THR 19 2HG2 THR 19 8.393 8.109 -7.398
144 HG23 THR 19 3HG2 THR 19 8.429 8.599 -5.705
145 H ASN 20 HN ASN 20 6.675 6.595 -2.415
146 HA ASN 20 HA ASN 20 5.734 3.858 -2.951
147 HB2 ASN 20 2HB ASN 20 7.804 4.974 -1.089
148 HB3 ASN 20 3HB ASN 20 7.019 3.445 -0.704
149 HD21 ASN 20 1HD2 ASN 20 9.771 3.803 -1.237
150 HD22 ASN 20 2HD2 ASN 20 10.153 2.907 -2.664
151 H THR 21 HN THR 21 4.204 6.356 -2.165
152 HA THR 21 HA THR 21 3.131 5.519 0.431
153 HB THR 21 HB THR 21 2.457 8.007 -1.149
154 HG1 THR 21 1HG THR 21 4.377 8.619 -0.500
155 HG21 THR 21 1HG2 THR 21 2.141 7.728 1.804
156 HG22 THR 21 2HG2 THR 21 0.933 6.996 0.748
157 HG23 THR 21 3HG2 THR 21 1.242 8.731 0.665
158 H CYS 22 HN CYS 22 1.495 4.136 0.399
159 HA CYS 22 HA CYS 22 0.033 3.297 -1.768
160 HB2 CYS 22 2HB CYS 22 0.069 2.207 0.476
161 HB3 CYS 22 3HB CYS 22 -1.008 3.467 1.068
162 H ARG 23 HN ARG 23 -1.650 4.027 -2.923
163 HA ARG 23 HA ARG 23 -2.607 6.710 -2.402
164 HB2 ARG 23 2HB ARG 23 -3.854 5.201 -4.595
165 HB3 ARG 23 3HB ARG 23 -3.108 6.794 -4.602
166 HG2 ARG 23 2HG ARG 23 -0.906 5.319 -4.348
167 HG3 ARG 23 3HG ARG 23 -1.933 4.143 -5.172
168 HD2 ARG 23 2HD ARG 23 -0.867 5.266 -6.915
169 HD3 ARG 23 3HD ARG 23 -2.445 6.045 -6.816
170 HE ARG 23 HE ARG 23 -0.452 7.374 -5.250
171 HH11 ARG 23 1HH1 ARG 23 -1.773 7.028 -8.452
172 HH12 ARG 23 2HH1 ARG 23 -1.255 8.596 -8.976
173 HH21 ARG 23 1HH2 ARG 23 0.234 9.441 -5.927
174 HH22 ARG 23 2HH2 ARG 23 -0.113 9.968 -7.539
175 H GLY 24 HN GLY 24 -3.402 3.979 -0.997
176 HA2 GLY 24 1HA GLY 24 -6.317 4.399 -1.161
177 HA3 GLY 24 2HA GLY 24 -5.545 2.902 -0.659
178 H CYS 25 HN CYS 25 -3.679 3.872 1.153
179 HA CYS 25 HA CYS 25 -5.449 4.868 3.284
180 HB2 CYS 25 2HB CYS 25 -3.677 3.841 4.810
181 HB3 CYS 25 3HB CYS 25 -4.684 2.719 3.900
182 H ASN 26 HN ASN 26 -2.620 5.523 1.454
183 HA ASN 26 HA ASN 26 -1.444 7.495 1.305
184 HB2 ASN 26 2HB ASN 26 -3.583 8.338 2.749
185 HB3 ASN 26 3HB ASN 26 -2.289 8.582 3.919
186 HD21 ASN 26 1HD2 ASN 26 -3.613 9.538 0.864
187 HD22 ASN 26 2HD2 ASN 26 -2.641 10.950 0.651
188 H HIS 27 HN HIS 27 -1.040 5.010 3.181
189 HA HIS 27 HA HIS 27 1.050 6.081 4.918
190 HB2 HIS 27 2HB HIS 27 -0.073 3.283 4.666
191 HB3 HIS 27 3HB HIS 27 1.147 3.781 5.834
192 HD1 HIS 27 1HD HIS 27 -0.283 6.518 6.575
193 HD2 HIS 27 2HD HIS 27 -2.048 2.757 6.524
194 HE1 HIS 27 1HE HIS 27 -2.259 6.682 8.121
195 H LEU 28 HN LEU 28 3.182 5.122 4.942
196 HA LEU 28 HA LEU 28 4.232 4.806 2.295
197 HB2 LEU 28 2HB LEU 28 5.467 4.722 5.034
198 HB3 LEU 28 3HB LEU 28 6.400 4.432 3.566
199 HG LEU 28 HG LEU 28 5.022 6.984 4.388
200 HD11 LEU 28 1HD1 LEU 28 7.357 6.196 5.265
201 HD12 LEU 28 2HD1 LEU 28 7.111 7.861 4.743
202 HD13 LEU 28 3HD1 LEU 28 7.901 6.708 3.668
203 HD21 LEU 28 1HD2 LEU 28 5.843 6.004 1.746
204 HD22 LEU 28 2HD2 LEU 28 6.456 7.604 2.167
205 HD23 LEU 28 3HD2 LEU 28 4.720 7.291 2.184
206 H VAL 29 HN VAL 29 4.991 2.998 1.301
207 HA VAL 29 HA VAL 29 5.120 0.482 2.762
208 HB VAL 29 HB VAL 29 3.795 -0.155 0.344
209 HG11 VAL 29 1HG1 VAL 29 2.390 -0.185 2.970
210 HG12 VAL 29 2HG1 VAL 29 2.458 -1.420 1.712
211 HG13 VAL 29 3HG1 VAL 29 3.844 -1.162 2.771
212 HG21 VAL 29 1HG2 VAL 29 2.332 1.951 1.933
213 HG22 VAL 29 2HG2 VAL 29 2.977 2.153 0.305
214 HG23 VAL 29 3HG2 VAL 29 1.667 1.010 0.598
215 H CYS 30 HN CYS 30 7.102 -0.201 2.294
216 HA CYS 30 HA CYS 30 8.734 0.579 0.229
217 HB2 CYS 30 2HB CYS 30 10.104 -1.354 0.713
218 HB3 CYS 30 3HB CYS 30 9.452 -0.726 2.224
219 H ARG 31 HN ARG 31 9.678 -1.211 -1.377
220 HA ARG 31 HA ARG 31 7.516 -1.729 -3.227
221 HB2 ARG 31 2HB ARG 31 9.221 -2.209 -4.839
222 HB3 ARG 31 3HB ARG 31 9.727 -0.789 -3.934
223 HG2 ARG 31 2HG ARG 31 11.447 -1.887 -2.899
224 HG3 ARG 31 3HG ARG 31 10.664 -3.463 -3.031
225 HD2 ARG 31 2HD ARG 31 11.054 -3.372 -5.491
226 HD3 ARG 31 3HD ARG 31 11.978 -1.891 -5.241
227 HE ARG 31 HE ARG 31 12.855 -4.567 -4.758
228 HH11 ARG 31 1HH1 ARG 31 13.219 -1.255 -3.750
229 HH12 ARG 31 2HH1 ARG 31 14.825 -1.479 -3.142
230 HH21 ARG 31 1HH2 ARG 31 14.971 -4.876 -3.961
231 HH22 ARG 31 2HH2 ARG 31 15.821 -3.540 -3.263
232 H ASP 32 HN ASP 32 7.901 -3.300 -0.677
233 HA ASP 32 HA ASP 32 7.849 -5.968 -1.924
234 HB2 ASP 32 2HB ASP 32 9.934 -5.666 -0.635
235 HB3 ASP 32 3HB ASP 32 8.982 -5.296 0.800
236 H CYS 33 HN CYS 33 6.204 -3.642 -0.192
237 HA CYS 33 HA CYS 33 4.355 -5.638 0.943
238 HB2 CYS 33 2HB CYS 33 4.978 -2.818 1.832
239 HB3 CYS 33 3HB CYS 33 3.608 -3.742 2.443
240 H ARG 34 HN ARG 34 4.559 -4.296 -1.793
241 HA ARG 34 HA ARG 34 1.874 -3.090 -1.851
242 HB2 ARG 34 2HB ARG 34 3.385 -2.789 -4.305
243 HB3 ARG 34 3HB ARG 34 2.648 -1.559 -3.287
244 HG2 ARG 34 2HG ARG 34 4.592 -1.467 -1.886
245 HG3 ARG 34 3HG ARG 34 5.318 -2.832 -2.737
246 HD2 ARG 34 2HD ARG 34 4.536 -0.379 -4.251
247 HD3 ARG 34 3HD ARG 34 6.032 -0.392 -3.320
248 HE ARG 34 HE ARG 34 6.000 -2.690 -4.891
249 HH11 ARG 34 1HH1 ARG 34 6.111 0.765 -5.310
250 HH12 ARG 34 2HH1 ARG 34 6.993 0.686 -6.799
251 HH21 ARG 34 1HH2 ARG 34 7.162 -2.806 -6.851
252 HH22 ARG 34 2HH2 ARG 34 7.590 -1.344 -7.675
253 H ILE 35 HN ILE 35 0.373 -3.765 -3.393
254 HA ILE 35 HA ILE 35 1.026 -6.293 -4.762
255 HB ILE 35 HB ILE 35 -1.511 -5.522 -3.332
256 HG12 ILE 35 2HG1 ILE 35 -1.127 -7.590 -2.097
257 HG13 ILE 35 3HG1 ILE 35 0.274 -7.955 -3.097
258 HG21 ILE 35 1HG2 ILE 35 -2.464 -7.635 -4.196
259 HG22 ILE 35 2HG2 ILE 35 -2.169 -6.441 -5.459
260 HG23 ILE 35 3HG2 ILE 35 -1.064 -7.800 -5.254
261 HD11 ILE 35 1HD1 ILE 35 0.307 -5.373 -1.670
262 HD12 ILE 35 2HD1 ILE 35 0.452 -6.833 -0.691
263 HD13 ILE 35 3HD1 ILE 35 1.609 -6.519 -1.983
264 H GLN 36 HN GLN 36 0.969 -6.076 -6.890
265 HA GLN 36 HA GLN 36 0.150 -3.872 -8.314
266 HB2 GLN 36 2HB GLN 36 0.765 -6.676 -8.962
267 HB3 GLN 36 3HB GLN 36 -0.257 -5.860 -10.137
268 HG2 GLN 36 2HG GLN 36 2.176 -4.447 -9.205
269 HG3 GLN 36 3HG GLN 36 2.380 -5.821 -10.291
270 HE21 GLN 36 1HE2 GLN 36 0.937 -2.655 -9.922
271 HE22 GLN 36 2HE2 GLN 36 0.750 -2.331 -11.609
272 H GLU 37 HN GLU 37 -1.749 -3.009 -8.827
273 HA GLU 37 HA GLU 37 -4.160 -4.674 -8.518
274 HB2 GLU 37 2HB GLU 37 -3.856 -1.679 -8.229
275 HB3 GLU 37 3HB GLU 37 -5.370 -2.560 -8.089
276 HG2 GLU 37 2HG GLU 37 -3.240 -3.549 -6.347
277 HG3 GLU 37 3HG GLU 37 -3.746 -1.894 -6.016
278 H SER 38 HN SER 38 -5.105 -5.215 -10.358
279 HA SER 38 HA SER 38 -4.408 -4.391 -12.886
280 HB2 SER 38 2HB SER 38 -7.144 -5.328 -11.984
281 HB3 SER 38 3HB SER 38 -6.553 -5.329 -13.646
282 HG SER 38 HG SER 38 -4.767 -6.587 -12.139
283 H ASN 39 HN ASN 39 -6.480 -2.811 -10.595
284 HA ASN 39 HA ASN 39 -8.091 -1.199 -12.081
285 HB2 ASN 39 2HB ASN 39 -7.548 -1.294 -9.479
286 HB3 ASN 39 3HB ASN 39 -6.578 0.122 -9.875
287 HD21 ASN 39 1HD2 ASN 39 -7.991 1.335 -8.533
288 HD22 ASN 39 2HD2 ASN 39 -9.533 1.849 -9.118
289 H GLY 40 HN GLY 40 -4.687 -0.529 -11.271
290 HA2 GLY 40 1HA GLY 40 -3.843 0.460 -13.662
291 HA3 GLY 40 2HA GLY 40 -4.627 1.839 -12.907
292 H THR 41 HN THR 41 -3.866 1.095 -10.208
293 HA THR 41 HA THR 41 -0.979 1.676 -10.362
294 HB THR 41 HB THR 41 -2.402 3.574 -9.536
295 HG1 THR 41 1HG THR 41 -0.238 3.492 -8.904
296 HG21 THR 41 1HG2 THR 41 -2.736 2.699 -6.853
297 HG22 THR 41 2HG2 THR 41 -3.502 1.515 -7.911
298 HG23 THR 41 3HG2 THR 41 -3.972 3.211 -8.000
299 H TRP 42 HN TRP 42 -0.760 1.551 -7.449
300 HA TRP 42 HA TRP 42 -1.155 -1.330 -6.997
301 HB2 TRP 42 2HB TRP 42 1.052 -1.461 -5.941
302 HB3 TRP 42 3HB TRP 42 1.190 -0.930 -7.615
303 HD1 TRP 42 1HD TRP 42 2.492 1.258 -8.031
304 HE1 TRP 42 1HE TRP 42 3.509 3.086 -6.531
305 HE3 TRP 42 3HE TRP 42 0.554 -0.212 -3.535
306 HZ2 TRP 42 2HZ TRP 42 3.491 3.809 -3.802
307 HZ3 TRP 42 3HZ TRP 42 1.102 1.102 -1.528
308 HH2 TRP 42 2HH TRP 42 2.541 3.069 -1.661
309 H ARG 43 HN ARG 43 -1.347 -1.972 -4.796
310 HA ARG 43 HA ARG 43 -1.676 0.167 -2.828
311 HB2 ARG 43 2HB ARG 43 -3.808 -1.779 -3.682
312 HB3 ARG 43 3HB ARG 43 -3.828 -1.035 -2.088
313 HG2 ARG 43 2HG ARG 43 -3.447 0.951 -4.137
314 HG3 ARG 43 3HG ARG 43 -4.893 -0.011 -4.447
315 HD2 ARG 43 2HD ARG 43 -4.560 0.796 -1.653
316 HD3 ARG 43 3HD ARG 43 -4.761 2.142 -2.773
317 HE ARG 43 HE ARG 43 -6.771 0.336 -1.920
318 HH11 ARG 43 1HH1 ARG 43 -5.680 2.132 -4.695
319 HH12 ARG 43 2HH1 ARG 43 -7.254 2.238 -5.409
320 HH21 ARG 43 1HH2 ARG 43 -8.850 0.469 -2.850
321 HH22 ARG 43 2HH2 ARG 43 -9.057 1.293 -4.358
322 H CYS 44 HN CYS 44 -1.168 -0.413 -0.765
323 HA CYS 44 HA CYS 44 0.502 -2.573 -0.298
324 HB2 CYS 44 2HB CYS 44 0.400 -2.010 2.014
325 HB3 CYS 44 3HB CYS 44 0.231 -0.499 1.127
326 H LYS 45 HN LYS 45 0.251 -4.568 0.718
327 HA LYS 45 HA LYS 45 -1.726 -6.240 -0.007
328 HB2 LYS 45 2HB LYS 45 -1.200 -7.231 2.494
329 HB3 LYS 45 3HB LYS 45 -0.219 -7.522 1.063
330 HG2 LYS 45 2HG LYS 45 0.381 -5.050 2.549
331 HG3 LYS 45 3HG LYS 45 0.752 -6.564 3.375
332 HD2 LYS 45 2HD LYS 45 1.697 -5.794 0.614
333 HD3 LYS 45 3HD LYS 45 2.667 -5.726 2.087
334 HE2 LYS 45 2HE LYS 45 1.701 -8.094 0.549
335 HE3 LYS 45 3HE LYS 45 3.305 -7.757 1.200
336 HZ1 LYS 45 1HZ LYS 45 2.455 -8.160 3.421
337 HZ2 LYS 45 2HZ LYS 45 2.192 -9.508 2.436
338 HZ3 LYS 45 3HZ LYS 45 0.910 -8.469 2.805
339 H VAL 46 HN VAL 46 -1.775 -4.187 2.877
340 HA VAL 46 HA VAL 46 -4.156 -5.111 4.005
341 HB VAL 46 HB VAL 46 -3.227 -2.243 4.088
342 HG11 VAL 46 1HG1 VAL 46 -5.411 -3.558 5.239
343 HG12 VAL 46 2HG1 VAL 46 -4.243 -3.344 6.544
344 HG13 VAL 46 3HG1 VAL 46 -4.806 -1.948 5.624
345 HG21 VAL 46 1HG2 VAL 46 -1.956 -4.660 5.117
346 HG22 VAL 46 2HG2 VAL 46 -1.305 -3.032 4.919
347 HG23 VAL 46 3HG2 VAL 46 -2.245 -3.438 6.355
348 H CYS 47 HN CYS 47 -3.588 -2.644 1.538
349 HA CYS 47 HA CYS 47 -6.363 -1.921 1.353
350 HB2 CYS 47 2HB CYS 47 -3.855 -1.169 -0.082
351 HB3 CYS 47 3HB CYS 47 -5.397 -0.840 -0.864
352 H ALA 48 HN ALA 48 -4.089 -3.602 -0.817
353 HA ALA 48 HA ALA 48 -5.876 -4.284 -2.825
354 HB1 ALA 48 1HB ALA 48 -3.914 -6.373 -2.265
355 HB2 ALA 48 2HB ALA 48 -4.138 -5.380 -3.706
356 HB3 ALA 48 3HB ALA 48 -3.223 -4.752 -2.335
357 H LYS 49 HN LYS 49 -5.383 -5.730 0.317
358 HA LYS 49 HA LYS 49 -6.886 -8.109 -0.246
359 HB2 LYS 49 2HB LYS 49 -5.708 -6.873 2.217
360 HB3 LYS 49 3HB LYS 49 -6.866 -8.187 2.371
361 HG2 LYS 49 2HG LYS 49 -4.528 -8.512 0.551
362 HG3 LYS 49 3HG LYS 49 -4.307 -8.674 2.295
363 HD2 LYS 49 2HD LYS 49 -4.764 -10.850 1.669
364 HD3 LYS 49 3HD LYS 49 -6.363 -10.265 2.133
365 HE2 LYS 49 2HE LYS 49 -7.135 -10.268 -0.007
366 HE3 LYS 49 3HE LYS 49 -5.555 -9.890 -0.692
367 HZ1 LYS 49 1HZ LYS 49 -4.882 -12.193 -0.186
368 HZ2 LYS 49 2HZ LYS 49 -6.159 -12.110 -1.291
369 HZ3 LYS 49 3HZ LYS 49 -6.462 -12.530 0.319
370 H GLU 50 HN GLU 50 -7.546 -4.972 1.208
371 HA GLU 50 HA GLU 50 -9.506 -3.884 1.619
372 HB2 GLU 50 2HB GLU 50 -10.081 -5.349 -0.581
373 HB3 GLU 50 3HB GLU 50 -11.244 -6.025 0.551
374 HG2 GLU 50 2HG GLU 50 -12.229 -3.885 0.927
375 HG3 GLU 50 3HG GLU 50 -10.960 -3.083 0.003
376 H ILE 51 HN ILE 51 -10.935 -3.772 3.311
377 HA ILE 51 HA ILE 51 -11.663 -6.213 4.728
378 HB ILE 51 HB ILE 51 -10.842 -4.298 6.696
379 HG12 ILE 51 2HG1 ILE 51 -8.570 -5.265 4.962
380 HG13 ILE 51 3HG1 ILE 51 -9.272 -3.660 4.792
381 HG21 ILE 51 1HG2 ILE 51 -9.350 -6.284 7.324
382 HG22 ILE 51 2HG2 ILE 51 -11.096 -6.527 7.339
383 HG23 ILE 51 3HG2 ILE 51 -10.134 -7.124 5.987
384 HD11 ILE 51 1HD1 ILE 51 -7.557 -3.170 6.188
385 HD12 ILE 51 2HD1 ILE 51 -8.778 -3.585 7.392
386 HD13 ILE 51 3HD1 ILE 51 -7.557 -4.770 6.931
387 H GLU 52 HN GLU 52 -12.604 -4.986 7.062
388 HA GLU 52 HA GLU 52 -14.686 -3.176 6.029
389 HB2 GLU 52 2HB GLU 52 -14.932 -5.736 7.428
390 HB3 GLU 52 3HB GLU 52 -15.868 -4.445 8.169
391 HG2 GLU 52 2HG GLU 52 -17.231 -5.637 6.589
392 HG3 GLU 52 3HG GLU 52 -16.939 -4.000 6.006
393 H LEU 53 HN LEU 53 -14.025 -4.390 9.292
394 HA LEU 53 HA LEU 53 -14.055 -1.666 10.297
395 HB2 LEU 53 2HB LEU 53 -15.093 -3.903 11.305
396 HB3 LEU 53 3HB LEU 53 -13.513 -3.970 12.081
397 HG LEU 53 HG LEU 53 -15.218 -2.960 13.525
398 HD11 LEU 53 1HD1 LEU 53 -12.668 -1.943 12.918
399 HD12 LEU 53 2HD1 LEU 53 -13.574 -1.775 14.421
400 HD13 LEU 53 3HD1 LEU 53 -13.722 -0.550 13.162
401 HD21 LEU 53 1HD2 LEU 53 -16.310 -0.932 13.004
402 HD22 LEU 53 2HD2 LEU 53 -16.514 -1.971 11.594
403 HD23 LEU 53 3HD2 LEU 53 -15.316 -0.676 11.570
Start of MODEL 20
1 H1 SER 1 HN SER 1 7.198 9.721 11.849
2 HA SER 1 HA SER 1 7.393 11.426 9.542
3 HB2 SER 1 2HB SER 1 8.856 12.586 11.641
4 HB3 SER 1 3HB SER 1 7.195 12.952 11.174
5 HG SER 1 HG SER 1 6.448 11.637 12.728
6 H ASP 2 HN ASP 2 8.993 8.905 9.688
7 HA ASP 2 HA ASP 2 11.626 10.121 9.177
8 HB2 ASP 2 2HB ASP 2 11.013 7.518 10.579
9 HB3 ASP 2 3HB ASP 2 12.609 7.919 9.952
10 H ARG 3 HN ARG 3 9.038 8.415 7.954
11 HA ARG 3 HA ARG 3 8.695 7.674 5.801
12 HB2 ARG 3 2HB ARG 3 11.650 7.511 5.310
13 HB3 ARG 3 3HB ARG 3 10.351 7.795 4.160
14 HG2 ARG 3 2HG ARG 3 10.345 9.908 6.063
15 HG3 ARG 3 3HG ARG 3 11.991 9.687 5.466
16 HD2 ARG 3 2HD ARG 3 11.402 10.165 3.284
17 HD3 ARG 3 3HD ARG 3 9.712 9.729 3.536
18 HE ARG 3 HE ARG 3 10.562 12.042 5.024
19 HH11 ARG 3 1HH1 ARG 3 9.280 10.876 2.004
20 HH12 ARG 3 2HH1 ARG 3 8.557 12.392 1.576
21 HH21 ARG 3 1HH2 ARG 3 9.615 14.043 4.471
22 HH22 ARG 3 2HH2 ARG 3 8.749 14.192 2.980
23 H THR 4 HN THR 4 8.266 5.896 7.534
24 HA THR 4 HA THR 4 9.926 3.547 6.884
25 HB THR 4 HB THR 4 8.255 3.114 9.193
26 HG1 THR 4 1HG THR 4 9.754 5.497 9.096
27 HG21 THR 4 1HG2 THR 4 11.261 3.296 8.985
28 HG22 THR 4 2HG2 THR 4 10.320 1.877 8.524
29 HG23 THR 4 3HG2 THR 4 10.324 2.426 10.199
30 H CYS 5 HN CYS 5 8.889 1.572 6.471
31 HA CYS 5 HA CYS 5 6.518 1.714 4.984
32 HB2 CYS 5 2HB CYS 5 8.229 -0.047 4.693
33 HB3 CYS 5 3HB CYS 5 7.778 -0.726 6.253
34 H ALA 6 HN ALA 6 4.412 1.113 5.411
35 HA ALA 6 HA ALA 6 3.625 1.282 8.203
36 HB1 ALA 6 1HB ALA 6 1.328 0.948 6.669
37 HB2 ALA 6 2HB ALA 6 1.988 2.467 7.276
38 HB3 ALA 6 3HB ALA 6 2.412 1.907 5.660
39 H ARG 7 HN ARG 7 4.843 -1.165 6.749
40 HA ARG 7 HA ARG 7 2.927 -3.089 7.869
41 HB2 ARG 7 2HB ARG 7 4.460 -3.835 5.417
42 HB3 ARG 7 3HB ARG 7 2.924 -4.455 6.007
43 HG2 ARG 7 2HG ARG 7 3.306 -1.705 4.847
44 HG3 ARG 7 3HG ARG 7 2.747 -3.108 3.934
45 HD2 ARG 7 2HD ARG 7 1.229 -1.316 5.515
46 HD3 ARG 7 3HD ARG 7 0.671 -2.727 4.617
47 HE ARG 7 HE ARG 7 1.167 -2.552 7.462
48 HH11 ARG 7 1HH1 ARG 7 0.678 -4.625 4.709
49 HH12 ARG 7 2HH1 ARG 7 0.180 -5.986 5.657
50 HH21 ARG 7 1HH2 ARG 7 0.513 -4.337 8.722
51 HH22 ARG 7 2HH2 ARG 7 0.085 -5.821 7.940
52 H CYS 8 HN CYS 8 6.232 -2.586 6.670
53 HA CYS 8 HA CYS 8 7.178 -4.694 8.478
54 HB2 CYS 8 2HB CYS 8 8.890 -3.273 6.455
55 HB3 CYS 8 3HB CYS 8 9.099 -4.880 7.143
56 H GLN 9 HN GLN 9 7.068 -1.296 8.089
57 HA GLN 9 HA GLN 9 7.782 0.418 9.408
58 HB2 GLN 9 2HB GLN 9 7.756 -1.865 11.148
59 HB3 GLN 9 3HB GLN 9 9.131 -0.845 11.548
60 HG2 GLN 9 2HG GLN 9 7.813 0.928 12.171
61 HG3 GLN 9 3HG GLN 9 6.452 0.402 11.181
62 HE21 GLN 9 1HE2 GLN 9 5.711 -1.923 11.896
63 HE22 GLN 9 2HE2 GLN 9 5.417 -2.078 13.591
64 H GLU 10 HN GLU 10 9.503 -0.951 7.408
65 HA GLU 10 HA GLU 10 12.184 -0.507 8.472
66 HB2 GLU 10 2HB GLU 10 11.072 -1.810 6.023
67 HB3 GLU 10 3HB GLU 10 12.727 -1.220 5.991
68 HG2 GLU 10 2HG GLU 10 13.326 -2.632 7.838
69 HG3 GLU 10 3HG GLU 10 11.651 -3.139 8.040
70 H SER 11 HN SER 11 13.568 1.073 7.770
71 HA SER 11 HA SER 11 12.540 3.534 7.009
72 HB2 SER 11 2HB SER 11 14.783 3.113 8.070
73 HB3 SER 11 3HB SER 11 15.371 2.604 6.487
74 HG SER 11 HG SER 11 15.740 4.647 6.190
75 H LEU 12 HN LEU 12 12.267 4.600 5.104
76 HA LEU 12 HA LEU 12 12.326 2.958 2.690
77 HB2 LEU 12 2HB LEU 12 11.021 5.571 3.386
78 HB3 LEU 12 3HB LEU 12 11.091 4.972 1.730
79 HG LEU 12 HG LEU 12 9.011 4.556 3.366
80 HD11 LEU 12 1HD1 LEU 12 9.105 2.214 1.860
81 HD12 LEU 12 2HD1 LEU 12 10.048 3.390 0.944
82 HD13 LEU 12 3HD1 LEU 12 8.382 3.753 1.395
83 HD21 LEU 12 1HD2 LEU 12 10.402 3.270 4.958
84 HD22 LEU 12 2HD2 LEU 12 10.709 2.084 3.689
85 HD23 LEU 12 3HD2 LEU 12 9.068 2.331 4.288
86 H GLY 13 HN GLY 13 14.580 4.620 4.153
87 HA2 GLY 13 1HA GLY 13 15.614 6.674 2.795
88 HA3 GLY 13 2HA GLY 13 16.626 5.327 3.295
89 H ARG 14 HN ARG 14 16.972 3.584 1.780
90 HA ARG 14 HA ARG 14 17.365 4.576 -0.883
91 HB2 ARG 14 2HB ARG 14 18.109 2.141 0.639
92 HB3 ARG 14 3HB ARG 14 17.999 1.971 -1.108
93 HG2 ARG 14 2HG ARG 14 19.754 3.409 -1.496
94 HG3 ARG 14 3HG ARG 14 19.563 4.227 0.055
95 HD2 ARG 14 2HD ARG 14 20.772 2.668 1.181
96 HD3 ARG 14 3HD ARG 14 20.245 1.349 0.135
97 HE ARG 14 HE ARG 14 22.099 1.691 -1.155
98 HH11 ARG 14 1HH1 ARG 14 21.563 4.509 0.817
99 HH12 ARG 14 2HH1 ARG 14 23.046 5.276 0.354
100 HH21 ARG 14 1HH2 ARG 14 24.054 2.691 -1.773
101 HH22 ARG 14 2HH2 ARG 14 24.462 4.241 -1.121
102 H LEU 15 HN LEU 15 14.741 4.765 -0.594
103 HA LEU 15 HA LEU 15 13.732 2.763 -2.453
104 HB2 LEU 15 2HB LEU 15 13.217 2.080 -0.058
105 HB3 LEU 15 3HB LEU 15 12.146 3.477 -0.003
106 HG LEU 15 HG LEU 15 10.610 2.520 -1.444
107 HD11 LEU 15 1HD1 LEU 15 11.113 0.559 -2.871
108 HD12 LEU 15 2HD1 LEU 15 12.796 0.659 -2.355
109 HD13 LEU 15 3HD1 LEU 15 12.075 1.983 -3.269
110 HD21 LEU 15 1HD2 LEU 15 10.468 0.047 -0.732
111 HD22 LEU 15 2HD2 LEU 15 10.355 1.291 0.514
112 HD23 LEU 15 3HD2 LEU 15 11.868 0.414 0.276
113 H SER 16 HN SER 16 14.352 5.779 -2.128
114 HA SER 16 HA SER 16 13.353 7.812 -2.588
115 HB2 SER 16 2HB SER 16 12.526 6.006 -4.868
116 HB3 SER 16 3HB SER 16 12.328 7.759 -4.900
117 HG SER 16 HG SER 16 14.328 7.848 -5.497
118 HA PRO 17 HA PRO 17 9.187 6.747 -0.859
119 HB2 PRO 17 2HB PRO 17 9.312 8.559 1.160
120 HB3 PRO 17 3HB PRO 17 9.970 6.924 1.294
121 HG2 PRO 17 2HG PRO 17 11.388 9.495 0.706
122 HG3 PRO 17 3HG PRO 17 11.874 8.169 1.779
123 HD2 PRO 17 2HD PRO 17 12.898 8.480 -0.708
124 HD3 PRO 17 3HD PRO 17 12.671 6.886 0.039
125 H LYS 18 HN LYS 18 9.034 7.957 -3.123
126 HA LYS 18 HA LYS 18 7.731 10.541 -2.576
127 HB2 LYS 18 2HB LYS 18 8.652 10.386 -5.297
128 HB3 LYS 18 3HB LYS 18 9.012 11.595 -4.072
129 HG2 LYS 18 2HG LYS 18 10.452 8.968 -4.363
130 HG3 LYS 18 3HG LYS 18 11.024 10.513 -4.997
131 HD2 LYS 18 2HD LYS 18 10.347 10.843 -2.246
132 HD3 LYS 18 3HD LYS 18 11.394 9.431 -2.406
133 HE2 LYS 18 2HE LYS 18 13.171 10.660 -3.115
134 HE3 LYS 18 3HE LYS 18 12.160 11.859 -3.921
135 HZ1 LYS 18 1HZ LYS 18 11.505 12.483 -1.516
136 HZ2 LYS 18 2HZ LYS 18 12.983 13.024 -2.135
137 HZ3 LYS 18 3HZ LYS 18 12.939 11.696 -1.089
138 H THR 19 HN THR 19 7.411 7.413 -3.684
139 HA THR 19 HA THR 19 4.766 7.989 -4.744
140 HB THR 19 HB THR 19 5.109 7.453 -6.887
141 HG1 THR 19 1HG THR 19 7.055 5.481 -6.498
142 HG21 THR 19 1HG2 THR 19 8.025 7.531 -6.099
143 HG22 THR 19 2HG2 THR 19 7.033 8.913 -6.567
144 HG23 THR 19 3HG2 THR 19 7.406 7.657 -7.746
145 H ASN 20 HN ASN 20 6.388 6.440 -2.563
146 HA ASN 20 HA ASN 20 5.156 3.804 -2.942
147 HB2 ASN 20 2HB ASN 20 7.245 4.718 -0.951
148 HB3 ASN 20 3HB ASN 20 6.625 3.075 -1.092
149 HD21 ASN 20 1HD2 ASN 20 9.325 4.347 -1.484
150 HD22 ASN 20 2HD2 ASN 20 9.843 3.777 -3.031
151 H THR 21 HN THR 21 3.656 6.214 -2.198
152 HA THR 21 HA THR 21 2.819 5.518 0.536
153 HB THR 21 HB THR 21 2.182 8.029 -1.025
154 HG1 THR 21 1HG THR 21 4.359 8.044 -0.495
155 HG21 THR 21 1HG2 THR 21 1.996 8.104 1.882
156 HG22 THR 21 2HG2 THR 21 0.872 6.957 1.154
157 HG23 THR 21 3HG2 THR 21 0.846 8.650 0.662
158 H CYS 22 HN CYS 22 1.363 3.893 0.276
159 HA CYS 22 HA CYS 22 -0.369 3.299 -1.693
160 HB2 CYS 22 2HB CYS 22 -0.115 2.082 0.493
161 HB3 CYS 22 3HB CYS 22 -1.194 3.272 1.215
162 H ARG 23 HN ARG 23 -2.072 4.174 -2.682
163 HA ARG 23 HA ARG 23 -2.966 6.798 -1.897
164 HB2 ARG 23 2HB ARG 23 -4.474 5.419 -4.009
165 HB3 ARG 23 3HB ARG 23 -3.701 6.998 -4.022
166 HG2 ARG 23 2HG ARG 23 -1.500 5.610 -4.149
167 HG3 ARG 23 3HG ARG 23 -2.571 4.330 -4.720
168 HD2 ARG 23 2HD ARG 23 -2.061 5.292 -6.719
169 HD3 ARG 23 3HD ARG 23 -3.456 6.277 -6.282
170 HE ARG 23 HE ARG 23 -2.055 8.064 -6.304
171 HH11 ARG 23 1HH1 ARG 23 -0.195 5.238 -5.483
172 HH12 ARG 23 2HH1 ARG 23 1.305 6.097 -5.368
173 HH21 ARG 23 1HH2 ARG 23 -0.086 9.207 -6.155
174 HH22 ARG 23 2HH2 ARG 23 1.365 8.355 -5.748
175 H GLY 24 HN GLY 24 -3.767 3.771 -0.877
176 HA2 GLY 24 1HA GLY 24 -6.638 4.252 -0.640
177 HA3 GLY 24 2HA GLY 24 -5.787 2.783 -0.184
178 H CYS 25 HN CYS 25 -3.858 3.714 1.514
179 HA CYS 25 HA CYS 25 -5.486 4.720 3.747
180 HB2 CYS 25 2HB CYS 25 -3.503 3.763 5.112
181 HB3 CYS 25 3HB CYS 25 -4.650 2.637 4.393
182 H ASN 26 HN ASN 26 -2.826 5.448 1.711
183 HA ASN 26 HA ASN 26 -1.672 7.418 1.480
184 HB2 ASN 26 2HB ASN 26 -3.778 8.274 2.931
185 HB3 ASN 26 3HB ASN 26 -2.489 8.537 4.102
186 HD21 ASN 26 1HD2 ASN 26 -3.397 9.178 0.749
187 HD22 ASN 26 2HD2 ASN 26 -2.596 10.705 0.640
188 H HIS 27 HN HIS 27 -0.964 4.980 3.145
189 HA HIS 27 HA HIS 27 1.138 6.175 4.819
190 HB2 HIS 27 2HB HIS 27 0.014 3.365 4.829
191 HB3 HIS 27 3HB HIS 27 1.293 3.950 5.890
192 HD1 HIS 27 1HD HIS 27 0.111 6.605 6.809
193 HD2 HIS 27 2HD HIS 27 -2.081 3.087 6.530
194 HE1 HIS 27 1HE HIS 27 -1.836 6.900 8.373
195 H LEU 28 HN LEU 28 3.253 5.109 4.810
196 HA LEU 28 HA LEU 28 4.172 4.700 2.130
197 HB2 LEU 28 2HB LEU 28 5.439 4.795 4.828
198 HB3 LEU 28 3HB LEU 28 6.348 4.125 3.474
199 HG LEU 28 HG LEU 28 5.229 6.923 3.642
200 HD11 LEU 28 1HD1 LEU 28 8.094 6.633 3.359
201 HD12 LEU 28 2HD1 LEU 28 7.498 5.876 4.836
202 HD13 LEU 28 3HD1 LEU 28 7.162 7.579 4.520
203 HD21 LEU 28 1HD2 LEU 28 7.059 6.892 1.622
204 HD22 LEU 28 2HD2 LEU 28 5.311 6.787 1.407
205 HD23 LEU 28 3HD2 LEU 28 6.287 5.318 1.434
206 H VAL 29 HN VAL 29 5.140 2.846 1.257
207 HA VAL 29 HA VAL 29 5.052 0.353 2.727
208 HB VAL 29 HB VAL 29 3.732 -0.090 0.190
209 HG11 VAL 29 1HG1 VAL 29 2.738 -1.723 1.362
210 HG12 VAL 29 2HG1 VAL 29 3.908 -1.316 2.619
211 HG13 VAL 29 3HG1 VAL 29 2.280 -0.638 2.674
212 HG21 VAL 29 1HG2 VAL 29 2.892 2.217 0.698
213 HG22 VAL 29 2HG2 VAL 29 1.639 0.982 0.590
214 HG23 VAL 29 3HG2 VAL 29 2.171 1.561 2.169
215 H CYS 30 HN CYS 30 6.909 -0.609 2.271
216 HA CYS 30 HA CYS 30 8.735 0.119 0.356
217 HB2 CYS 30 2HB CYS 30 9.791 -2.075 0.704
218 HB3 CYS 30 3HB CYS 30 9.287 -1.354 2.229
219 H ARG 31 HN ARG 31 9.570 -1.525 -1.386
220 HA ARG 31 HA ARG 31 7.460 -1.720 -3.344
221 HB2 ARG 31 2HB ARG 31 9.187 -2.199 -4.927
222 HB3 ARG 31 3HB ARG 31 9.782 -0.925 -3.869
223 HG2 ARG 31 2HG ARG 31 11.220 -2.402 -2.730
224 HG3 ARG 31 3HG ARG 31 10.434 -3.821 -3.425
225 HD2 ARG 31 2HD ARG 31 11.901 -3.797 -5.090
226 HD3 ARG 31 3HD ARG 31 11.307 -2.209 -5.574
227 HE ARG 31 HE ARG 31 13.125 -1.937 -3.438
228 HH11 ARG 31 1HH1 ARG 31 13.022 -2.715 -6.829
229 HH12 ARG 31 2HH1 ARG 31 14.628 -2.142 -7.142
230 HH21 ARG 31 1HH2 ARG 31 15.239 -1.179 -3.837
231 HH22 ARG 31 2HH2 ARG 31 15.888 -1.269 -5.440
232 H ASP 32 HN ASP 32 7.852 -3.575 -0.882
233 HA ASP 32 HA ASP 32 7.529 -6.095 -2.377
234 HB2 ASP 32 2HB ASP 32 9.564 -6.259 -1.119
235 HB3 ASP 32 3HB ASP 32 8.786 -5.626 0.330
236 H CYS 33 HN CYS 33 6.069 -3.815 -0.395
237 HA CYS 33 HA CYS 33 4.089 -5.740 0.613
238 HB2 CYS 33 2HB CYS 33 4.848 -2.956 1.480
239 HB3 CYS 33 3HB CYS 33 3.346 -3.711 2.004
240 H ARG 34 HN ARG 34 4.459 -4.235 -2.108
241 HA ARG 34 HA ARG 34 1.818 -2.978 -2.259
242 HB2 ARG 34 2HB ARG 34 3.621 -3.049 -4.620
243 HB3 ARG 34 3HB ARG 34 2.574 -1.760 -4.042
244 HG2 ARG 34 2HG ARG 34 4.145 -1.128 -2.367
245 HG3 ARG 34 3HG ARG 34 5.136 -2.554 -2.683
246 HD2 ARG 34 2HD ARG 34 4.585 -0.437 -4.751
247 HD3 ARG 34 3HD ARG 34 5.974 -0.385 -3.666
248 HE ARG 34 HE ARG 34 5.987 -2.876 -4.889
249 HH11 ARG 34 1HH1 ARG 34 6.271 0.469 -5.814
250 HH12 ARG 34 2HH1 ARG 34 7.278 0.139 -7.185
251 HH21 ARG 34 1HH2 ARG 34 7.314 -3.323 -6.690
252 HH22 ARG 34 2HH2 ARG 34 7.871 -2.018 -7.682
253 H ILE 35 HN ILE 35 0.172 -3.784 -3.459
254 HA ILE 35 HA ILE 35 0.616 -6.419 -4.693
255 HB ILE 35 HB ILE 35 -1.695 -5.231 -3.238
256 HG12 ILE 35 2HG1 ILE 35 -1.827 -7.673 -2.491
257 HG13 ILE 35 3HG1 ILE 35 -0.308 -7.907 -3.348
258 HG21 ILE 35 1HG2 ILE 35 -1.893 -6.954 -5.650
259 HG22 ILE 35 2HG2 ILE 35 -2.985 -7.276 -4.304
260 HG23 ILE 35 3HG2 ILE 35 -2.976 -5.689 -5.071
261 HD11 ILE 35 1HD1 ILE 35 -0.404 -5.675 -1.423
262 HD12 ILE 35 2HD1 ILE 35 -0.445 -7.308 -0.758
263 HD13 ILE 35 3HD1 ILE 35 0.895 -6.810 -1.790
264 H GLN 36 HN GLN 36 1.093 -5.963 -6.788
265 HA GLN 36 HA GLN 36 0.373 -3.971 -8.432
266 HB2 GLN 36 2HB GLN 36 1.058 -6.775 -8.813
267 HB3 GLN 36 3HB GLN 36 0.020 -6.164 -10.096
268 HG2 GLN 36 2HG GLN 36 2.748 -5.233 -9.287
269 HG3 GLN 36 3HG GLN 36 2.191 -5.803 -10.859
270 HE21 GLN 36 1HE2 GLN 36 -0.237 -4.257 -10.831
271 HE22 GLN 36 2HE2 GLN 36 0.216 -2.611 -11.097
272 H GLU 37 HN GLU 37 -1.586 -3.010 -8.325
273 HA GLU 37 HA GLU 37 -4.022 -4.563 -8.332
274 HB2 GLU 37 2HB GLU 37 -3.402 -1.624 -8.227
275 HB3 GLU 37 3HB GLU 37 -5.044 -2.191 -8.496
276 HG2 GLU 37 2HG GLU 37 -3.343 -2.932 -6.128
277 HG3 GLU 37 3HG GLU 37 -4.558 -1.656 -6.138
278 H SER 38 HN SER 38 -5.763 -4.109 -9.897
279 HA SER 38 HA SER 38 -4.668 -4.085 -12.603
280 HB2 SER 38 2HB SER 38 -6.944 -5.335 -11.290
281 HB3 SER 38 3HB SER 38 -7.412 -4.537 -12.791
282 HG SER 38 HG SER 38 -5.664 -5.708 -13.796
283 H ASN 39 HN ASN 39 -5.358 -1.713 -10.692
284 HA ASN 39 HA ASN 39 -7.080 -0.217 -12.545
285 HB2 ASN 39 2HB ASN 39 -7.515 -0.404 -9.976
286 HB3 ASN 39 3HB ASN 39 -6.242 0.807 -9.851
287 HD21 ASN 39 1HD2 ASN 39 -6.718 2.879 -10.232
288 HD22 ASN 39 2HD2 ASN 39 -8.253 3.456 -10.775
289 H GLY 40 HN GLY 40 -4.233 -0.813 -13.004
290 HA2 GLY 40 1HA GLY 40 -2.448 0.298 -13.935
291 HA3 GLY 40 2HA GLY 40 -3.426 1.758 -13.896
292 H THR 41 HN THR 41 -3.125 0.234 -10.877
293 HA THR 41 HA THR 41 -0.771 1.802 -10.129
294 HB THR 41 HB THR 41 -2.890 3.148 -9.694
295 HG1 THR 41 1HG THR 41 -0.995 3.665 -8.594
296 HG21 THR 41 1HG2 THR 41 -4.465 2.471 -8.209
297 HG22 THR 41 2HG2 THR 41 -3.302 1.601 -7.207
298 HG23 THR 41 3HG2 THR 41 -3.908 0.871 -8.693
299 H TRP 42 HN TRP 42 -1.203 1.418 -7.312
300 HA TRP 42 HA TRP 42 -1.299 -1.477 -6.966
301 HB2 TRP 42 2HB TRP 42 0.862 -1.532 -5.798
302 HB3 TRP 42 3HB TRP 42 1.053 -1.017 -7.472
303 HD1 TRP 42 1HD TRP 42 2.211 1.265 -7.884
304 HE1 TRP 42 1HE TRP 42 3.144 3.119 -6.362
305 HE3 TRP 42 3HE TRP 42 0.354 -0.353 -3.405
306 HZ2 TRP 42 2HZ TRP 42 3.099 3.804 -3.624
307 HZ3 TRP 42 3HZ TRP 42 0.846 0.957 -1.381
308 HH2 TRP 42 2HH TRP 42 2.191 2.993 -1.491
309 H ARG 43 HN ARG 43 -1.530 -2.140 -4.764
310 HA ARG 43 HA ARG 43 -2.077 -0.010 -2.829
311 HB2 ARG 43 2HB ARG 43 -4.002 -2.170 -3.675
312 HB3 ARG 43 3HB ARG 43 -4.151 -1.328 -2.140
313 HG2 ARG 43 2HG ARG 43 -3.873 0.440 -4.455
314 HG3 ARG 43 3HG ARG 43 -5.326 -0.561 -4.466
315 HD2 ARG 43 2HD ARG 43 -5.497 0.231 -1.966
316 HD3 ARG 43 3HD ARG 43 -4.487 1.556 -2.544
317 HE ARG 43 HE ARG 43 -6.305 2.409 -3.633
318 HH11 ARG 43 1HH1 ARG 43 -6.927 -0.923 -2.836
319 HH12 ARG 43 2HH1 ARG 43 -8.582 -0.872 -3.345
320 HH21 ARG 43 1HH2 ARG 43 -8.483 2.489 -4.306
321 HH22 ARG 43 2HH2 ARG 43 -9.466 1.069 -4.182
322 H CYS 44 HN CYS 44 -1.364 -0.462 -0.833
323 HA CYS 44 HA CYS 44 0.410 -2.425 -0.229
324 HB2 CYS 44 2HB CYS 44 0.048 -1.954 2.099
325 HB3 CYS 44 3HB CYS 44 -0.157 -0.451 1.204
326 H LYS 45 HN LYS 45 0.187 -4.257 1.347
327 HA LYS 45 HA LYS 45 -1.697 -6.143 0.331
328 HB2 LYS 45 2HB LYS 45 -0.289 -6.773 2.852
329 HB3 LYS 45 3HB LYS 45 -0.436 -7.718 1.377
330 HG2 LYS 45 2HG LYS 45 1.182 -5.986 0.367
331 HG3 LYS 45 3HG LYS 45 1.529 -5.566 2.046
332 HD2 LYS 45 2HD LYS 45 3.128 -7.168 1.689
333 HD3 LYS 45 3HD LYS 45 1.808 -8.176 2.288
334 HE2 LYS 45 2HE LYS 45 1.146 -8.507 -0.132
335 HE3 LYS 45 3HE LYS 45 2.683 -7.758 -0.562
336 HZ1 LYS 45 1HZ LYS 45 3.791 -9.499 0.773
337 HZ2 LYS 45 2HZ LYS 45 2.948 -10.116 -0.556
338 HZ3 LYS 45 3HZ LYS 45 2.294 -10.254 0.998
339 H VAL 46 HN VAL 46 -2.003 -3.719 2.577
340 HA VAL 46 HA VAL 46 -3.887 -5.155 4.287
341 HB VAL 46 HB VAL 46 -3.183 -2.234 4.491
342 HG11 VAL 46 1HG1 VAL 46 -4.345 -4.281 6.359
343 HG12 VAL 46 2HG1 VAL 46 -3.674 -2.752 6.932
344 HG13 VAL 46 3HG1 VAL 46 -5.049 -2.755 5.827
345 HG21 VAL 46 1HG2 VAL 46 -1.184 -3.881 4.487
346 HG22 VAL 46 2HG2 VAL 46 -1.302 -2.681 5.774
347 HG23 VAL 46 3HG2 VAL 46 -1.782 -4.351 6.079
348 H CYS 47 HN CYS 47 -3.836 -3.039 1.580
349 HA CYS 47 HA CYS 47 -6.669 -2.362 1.922
350 HB2 CYS 47 2HB CYS 47 -4.479 -1.244 0.185
351 HB3 CYS 47 3HB CYS 47 -6.174 -0.893 -0.138
352 H ALA 48 HN ALA 48 -4.446 -3.606 -0.568
353 HA ALA 48 HA ALA 48 -6.489 -4.379 -2.370
354 HB1 ALA 48 1HB ALA 48 -3.888 -5.807 -2.404
355 HB2 ALA 48 2HB ALA 48 -4.813 -5.102 -3.730
356 HB3 ALA 48 3HB ALA 48 -3.872 -4.062 -2.662
357 H LYS 49 HN LYS 49 -4.911 -5.981 0.312
358 HA LYS 49 HA LYS 49 -6.714 -8.278 -0.078
359 HB2 LYS 49 2HB LYS 49 -3.826 -8.237 0.091
360 HB3 LYS 49 3HB LYS 49 -4.512 -9.203 1.390
361 HG2 LYS 49 2HG LYS 49 -5.788 -9.784 -1.134
362 HG3 LYS 49 3HG LYS 49 -4.039 -10.006 -1.222
363 HD2 LYS 49 2HD LYS 49 -5.420 -11.092 1.164
364 HD3 LYS 49 3HD LYS 49 -5.698 -11.919 -0.370
365 HE2 LYS 49 2HE LYS 49 -3.839 -13.043 0.305
366 HE3 LYS 49 3HE LYS 49 -3.057 -11.699 -0.526
367 HZ1 LYS 49 1HZ LYS 49 -1.956 -11.563 1.419
368 HZ2 LYS 49 2HZ LYS 49 -3.184 -12.303 2.317
369 HZ3 LYS 49 3HZ LYS 49 -3.308 -10.668 1.900
370 H GLU 50 HN GLU 50 -7.505 -9.276 1.814
371 HA GLU 50 HA GLU 50 -7.129 -7.720 4.286
372 HB2 GLU 50 2HB GLU 50 -9.439 -7.729 2.833
373 HB3 GLU 50 3HB GLU 50 -9.735 -9.048 3.957
374 HG2 GLU 50 2HG GLU 50 -9.230 -7.529 5.829
375 HG3 GLU 50 3HG GLU 50 -9.030 -6.212 4.675
376 H ILE 51 HN ILE 51 -5.836 -10.186 3.371
377 HA ILE 51 HA ILE 51 -5.369 -12.320 4.053
378 HB ILE 51 HB ILE 51 -6.183 -11.440 6.806
379 HG12 ILE 51 2HG1 ILE 51 -4.959 -9.579 5.652
380 HG13 ILE 51 3HG1 ILE 51 -4.125 -10.223 7.062
381 HG21 ILE 51 1HG2 ILE 51 -4.502 -12.886 7.557
382 HG22 ILE 51 2HG2 ILE 51 -5.276 -13.759 6.235
383 HG23 ILE 51 3HG2 ILE 51 -3.730 -12.953 5.973
384 HD11 ILE 51 1HD1 ILE 51 -3.496 -11.146 4.281
385 HD12 ILE 51 2HD1 ILE 51 -2.727 -9.735 5.009
386 HD13 ILE 51 3HD1 ILE 51 -2.532 -11.324 5.746
387 H GLU 52 HN GLU 52 -7.267 -13.153 2.917
388 HA GLU 52 HA GLU 52 -9.259 -14.276 2.758
389 HB2 GLU 52 2HB GLU 52 -7.941 -16.044 3.658
390 HB3 GLU 52 3HB GLU 52 -8.033 -15.378 5.282
391 HG2 GLU 52 2HG GLU 52 -10.070 -16.257 5.681
392 HG3 GLU 52 3HG GLU 52 -10.601 -16.070 4.011
393 H LEU 53 HN LEU 53 -9.449 -14.475 6.234
394 HA LEU 53 HA LEU 53 -12.102 -13.567 6.337
395 HB2 LEU 53 2HB LEU 53 -10.387 -14.809 8.065
396 HB3 LEU 53 3HB LEU 53 -10.553 -13.214 8.796
397 HG LEU 53 HG LEU 53 -12.252 -14.255 9.871
398 HD11 LEU 53 1HD1 LEU 53 -13.136 -12.503 8.154
399 HD12 LEU 53 2HD1 LEU 53 -14.269 -13.508 9.058
400 HD13 LEU 53 3HD1 LEU 53 -13.871 -13.912 7.388
401 HD21 LEU 53 1HD2 LEU 53 -13.590 -15.949 8.073
402 HD22 LEU 53 2HD2 LEU 53 -12.565 -16.408 9.435
403 HD23 LEU 53 3HD2 LEU 53 -11.865 -16.223 7.826