Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616868 | 5x39 RC | 36055 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H1 THR 1 -3.897 -11.769 -3.911
2 H2 THR 1 H2 THR 1 -2.988 -11.786 -2.480
3 H3 THR 1 H3 THR 1 -2.435 -10.907 -3.810
4 HA THR 1 HA THR 1 -4.333 -9.433 -3.557
5 HB THR 1 HB THR 1 -5.489 -9.760 -1.263
6 HG1 THR 1 HG1 THR 1 -4.580 -11.454 -0.286
7 HG21 THR 1 HG21 THR 1 -6.651 -10.016 -3.417
8 HG22 THR 1 HG22 THR 1 -7.194 -11.234 -2.263
9 HG23 THR 1 HG23 THR 1 -6.059 -11.673 -3.542
10 H ALA 2 H ALA 2 -4.255 -7.665 -2.039
11 HA ALA 2 HA ALA 2 -1.618 -7.355 -1.003
12 HB1 ALA 2 HB1 ALA 2 -3.982 -5.478 -0.731
13 HB2 ALA 2 HB2 ALA 2 -2.800 -5.476 -2.041
14 HB3 ALA 2 HB3 ALA 2 -2.291 -5.105 -0.399
15 H SER 3 H SER 3 -1.165 -6.776 1.168
16 HA SER 3 HA SER 3 -2.630 -8.515 2.978
17 HB2 SER 3 HB2 SER 3 -0.332 -8.312 4.178
18 HB3 SER 3 HB3 SER 3 -0.433 -9.309 2.725
19 H HIS 4 H HIS 4 -2.865 -7.842 5.160
20 HA HIS 4 HA HIS 4 -3.720 -5.143 5.458
21 HB2 HIS 4 HB2 HIS 4 -4.676 -7.241 6.596
22 HB3 HIS 4 HB3 HIS 4 -3.267 -7.188 7.633
23 HD1 HIS 4 HD1 HIS 4 -4.594 -6.767 9.761
24 HD2 HIS 4 HD2 HIS 4 -5.275 -3.914 6.822
25 HE1 HIS 4 HE1 HIS 4 -5.984 -4.995 10.848
26 HE2 HIS 4 HE2 HIS 4 -6.368 -3.271 9.075
27 H TYR 5 H TYR 5 -2.488 -3.483 5.968
28 HA TYR 5 HA TYR 5 -0.928 -2.167 6.814
29 HB2 TYR 5 HB2 TYR 5 -0.043 -4.574 8.398
30 HB3 TYR 5 HB3 TYR 5 0.831 -3.046 8.459
31 HD1 TYR 5 HD1 TYR 5 -2.132 -4.858 9.512
32 HD2 TYR 5 HD2 TYR 5 -0.241 -1.058 9.418
33 HE1 TYR 5 HE1 TYR 5 -3.663 -4.054 11.243
34 HE2 TYR 5 HE2 TYR 5 -1.775 -0.245 11.150
35 HH TYR 5 HH TYR 5 -4.008 -0.793 11.997
36 H GLY 6 H GLY 6 -0.573 -4.297 4.599
37 HA2 GLY 6 HA2 GLY 6 2.249 -3.713 4.113
38 HA3 GLY 6 HA3 GLY 6 1.280 -4.940 3.289
39 H GLN 7 H GLN 7 2.704 -3.169 1.790
40 HA GLN 7 HA GLN 7 1.172 -0.891 1.055
41 HB2 GLN 7 HB2 GLN 7 3.625 -1.103 0.686
42 HB3 GLN 7 HB3 GLN 7 3.299 -2.361 -0.505
43 HG2 GLN 7 HG2 GLN 7 2.235 -0.788 -1.954
44 HG3 GLN 7 HG3 GLN 7 2.368 0.496 -0.752
45 HE21 GLN 7 HE21 GLN 7 3.673 1.840 -2.153
46 HE22 GLN 7 HE22 GLN 7 5.278 1.386 -2.506
47 H CYS 8 H CYS 8 -0.513 -0.800 -0.223
48 HA CYS 8 HA CYS 8 -1.329 -3.255 -1.608
49 HB2 CYS 8 HB2 CYS 8 -3.560 -2.222 -1.695
50 HB3 CYS 8 HB3 CYS 8 -2.951 -2.492 -0.062
51 H GLY 9 H GLY 9 -0.810 0.196 -2.217
52 HA2 GLY 9 HA2 GLY 9 -0.515 -0.355 -5.010
53 HA3 GLY 9 HA3 GLY 9 -2.071 0.363 -4.619
54 H GLY 10 H GLY 10 1.364 0.837 -4.237
55 HA2 GLY 10 HA2 GLY 10 0.849 3.729 -4.252
56 HA3 GLY 10 HA3 GLY 10 2.330 2.967 -3.664
57 H ILE 11 H ILE 11 2.562 4.964 -5.482
58 HA ILE 11 HA ILE 11 2.667 4.058 -8.152
59 HB ILE 11 HB ILE 11 4.336 6.250 -6.863
60 HG12 ILE 11 HG12 ILE 11 1.684 6.484 -8.308
61 HG13 ILE 11 HG13 ILE 11 1.867 6.527 -6.559
62 HG21 ILE 11 HG21 ILE 11 3.581 5.772 -9.755
63 HG22 ILE 11 HG22 ILE 11 5.176 5.526 -9.056
64 HG23 ILE 11 HG23 ILE 11 4.494 7.152 -9.146
65 HD11 ILE 11 HD11 ILE 11 1.628 8.754 -7.484
66 HD12 ILE 11 HD12 ILE 11 3.037 8.490 -8.513
67 HD13 ILE 11 HD13 ILE 11 3.223 8.543 -6.760
68 H GLY 12 H GLY 12 3.988 2.603 -8.982
69 HA2 GLY 12 HA2 GLY 12 6.207 1.833 -9.465
70 HA3 GLY 12 HA3 GLY 12 6.673 2.289 -7.828
71 H TYR 13 H TYR 13 3.954 1.109 -7.046
72 HA TYR 13 HA TYR 13 5.051 -1.512 -6.517
73 HB2 TYR 13 HB2 TYR 13 3.948 -0.239 -4.705
74 HB3 TYR 13 HB3 TYR 13 2.445 -0.252 -5.608
75 HD1 TYR 13 HD1 TYR 13 4.942 -2.520 -4.035
76 HD2 TYR 13 HD2 TYR 13 0.911 -1.979 -5.248
77 HE1 TYR 13 HE1 TYR 13 4.329 -4.599 -2.885
78 HE2 TYR 13 HE2 TYR 13 0.285 -4.058 -4.107
79 HH TYR 13 HH TYR 13 1.135 -5.958 -3.225
80 H SER 14 H SER 14 4.922 -2.882 -8.147
81 HA SER 14 HA SER 14 2.661 -2.886 -9.928
82 HB2 SER 14 HB2 SER 14 4.242 -4.622 -11.018
83 HB3 SER 14 HB3 SER 14 4.708 -2.915 -11.030
84 HG SER 14 HG SER 14 6.478 -3.984 -10.292
85 H GLY 15 H GLY 15 3.132 -4.120 -7.021
86 HA2 GLY 15 HA2 GLY 15 2.600 -6.929 -7.383
87 HA3 GLY 15 HA3 GLY 15 2.593 -6.053 -5.856
88 HA PRO 16 HA PRO 16 -1.748 -7.357 -6.794
89 HB2 PRO 16 HB2 PRO 16 -2.118 -8.038 -4.147
90 HB3 PRO 16 HB3 PRO 16 -1.594 -9.172 -5.399
91 HG2 PRO 16 HG2 PRO 16 0.111 -7.532 -3.533
92 HG3 PRO 16 HG3 PRO 16 0.211 -9.294 -3.836
93 HD2 PRO 16 HD2 PRO 16 1.866 -7.672 -4.962
94 HD3 PRO 16 HD3 PRO 16 1.074 -8.895 -5.979
95 H THR 17 H THR 17 -2.895 -5.498 -6.921
96 HA THR 17 HA THR 17 -2.664 -3.500 -4.841
97 HB THR 17 HB THR 17 -4.179 -2.255 -6.543
98 HG1 THR 17 HG1 THR 17 -4.435 -3.162 -8.433
99 HG21 THR 17 HG21 THR 17 -2.201 -1.585 -7.864
100 HG22 THR 17 HG22 THR 17 -1.314 -2.971 -7.221
101 HG23 THR 17 HG23 THR 17 -1.830 -1.678 -6.143
102 H VAL 18 H VAL 18 -4.715 -6.012 -5.798
103 HA VAL 18 HA VAL 18 -7.055 -4.856 -4.536
104 HB VAL 18 HB VAL 18 -6.679 -7.631 -5.716
105 HG11 VAL 18 HG11 VAL 18 -8.467 -7.554 -4.071
106 HG12 VAL 18 HG12 VAL 18 -9.134 -7.742 -5.695
107 HG13 VAL 18 HG13 VAL 18 -9.188 -6.172 -4.893
108 HG21 VAL 18 HG21 VAL 18 -6.448 -5.898 -7.418
109 HG22 VAL 18 HG22 VAL 18 -7.979 -5.182 -6.912
110 HG23 VAL 18 HG23 VAL 18 -7.954 -6.790 -7.634
111 H CYS 19 H CYS 19 -7.389 -5.049 -2.457
112 HA CYS 19 HA CYS 19 -5.647 -6.519 -0.772
113 HB2 CYS 19 HB2 CYS 19 -8.074 -4.839 -0.222
114 HB3 CYS 19 HB3 CYS 19 -7.188 -5.698 1.034
115 H ALA 20 H ALA 20 -6.441 -7.788 1.042
116 HA ALA 20 HA ALA 20 -7.923 -10.058 0.158
117 HB1 ALA 20 HB1 ALA 20 -5.946 -10.279 1.604
118 HB2 ALA 20 HB2 ALA 20 -7.376 -10.888 2.439
119 HB3 ALA 20 HB3 ALA 20 -6.722 -9.301 2.837
120 H SER 21 H SER 21 -9.761 -10.853 1.590
121 HA SER 21 HA SER 21 -11.789 -8.927 1.688
122 HB2 SER 21 HB2 SER 21 -11.705 -11.604 3.057
123 HB3 SER 21 HB3 SER 21 -13.139 -10.716 2.547
124 HG SER 21 HG SER 21 -12.050 -12.497 1.157
125 H GLY 22 H GLY 22 -12.213 -7.477 3.204
126 HA2 GLY 22 HA2 GLY 22 -12.743 -6.944 5.466
127 HA3 GLY 22 HA3 GLY 22 -11.511 -8.086 5.976
128 H THR 23 H THR 23 -10.227 -6.447 3.442
129 HA THR 23 HA THR 23 -9.157 -4.356 5.175
130 HB THR 23 HB THR 23 -6.880 -4.753 4.126
131 HG1 THR 23 HG1 THR 23 -8.329 -6.689 2.779
132 HG21 THR 23 HG21 THR 23 -6.336 -6.730 5.464
133 HG22 THR 23 HG22 THR 23 -8.055 -7.077 5.653
134 HG23 THR 23 HG23 THR 23 -7.365 -5.614 6.360
135 H THR 24 H THR 24 -8.396 -2.439 4.042
136 HA THR 24 HA THR 24 -9.332 -2.296 1.277
137 HB THR 24 HB THR 24 -10.125 0.060 1.757
138 HG1 THR 24 HG1 THR 24 -9.359 -0.647 4.312
139 HG21 THR 24 HG21 THR 24 -11.602 -2.226 3.062
140 HG22 THR 24 HG22 THR 24 -11.718 -1.733 1.373
141 HG23 THR 24 HG23 THR 24 -12.310 -0.668 2.646
142 H CYS 25 H CYS 25 -8.124 -1.120 -0.103
143 HA CYS 25 HA CYS 25 -5.482 -0.449 0.730
144 HB2 CYS 25 HB2 CYS 25 -5.969 -1.399 -1.516
145 HB3 CYS 25 HB3 CYS 25 -6.861 0.071 -1.912
146 H GLN 26 H GLN 26 -5.009 1.396 1.764
147 HA GLN 26 HA GLN 26 -6.516 3.735 0.994
148 HB2 GLN 26 HB2 GLN 26 -5.637 2.790 3.694
149 HB3 GLN 26 HB3 GLN 26 -6.085 4.461 3.398
150 HG2 GLN 26 HG2 GLN 26 -8.302 3.721 2.636
151 HG3 GLN 26 HG3 GLN 26 -7.835 2.050 2.927
152 HE21 GLN 26 HE21 GLN 26 -7.861 1.286 4.977
153 HE22 GLN 26 HE22 GLN 26 -8.486 2.161 6.317
154 H VAL 27 H VAL 27 -5.351 5.160 0.062
155 HA VAL 27 HA VAL 27 -2.517 5.048 -0.089
156 HB VAL 27 HB VAL 27 -4.412 7.259 -0.970
157 HG11 VAL 27 HG11 VAL 27 -2.643 7.948 -2.490
158 HG12 VAL 27 HG12 VAL 27 -1.576 6.725 -1.801
159 HG13 VAL 27 HG13 VAL 27 -2.139 8.064 -0.804
160 HG21 VAL 27 HG21 VAL 27 -4.958 5.146 -2.037
161 HG22 VAL 27 HG22 VAL 27 -3.276 4.955 -2.541
162 HG23 VAL 27 HG23 VAL 27 -4.248 6.272 -3.195
163 H LEU 28 H LEU 28 -1.189 5.741 1.413
164 HA LEU 28 HA LEU 28 -2.110 7.693 3.407
165 HB2 LEU 28 HB2 LEU 28 0.400 6.032 3.357
166 HB3 LEU 28 HB3 LEU 28 -0.130 7.036 4.692
167 HG LEU 28 HG LEU 28 -1.322 4.445 3.723
168 HD11 LEU 28 HD11 LEU 28 0.663 4.300 5.108
169 HD12 LEU 28 HD12 LEU 28 -0.759 3.672 5.941
170 HD13 LEU 28 HD13 LEU 28 -0.127 5.265 6.354
171 HD21 LEU 28 HD21 LEU 28 -2.355 6.304 5.847
172 HD22 LEU 28 HD22 LEU 28 -2.928 4.662 5.538
173 HD23 LEU 28 HD23 LEU 28 -3.156 5.922 4.314
174 H ASN 29 H ASN 29 0.382 7.035 1.064
175 HA ASN 29 HA ASN 29 1.005 9.866 0.863
176 HB2 ASN 29 HB2 ASN 29 3.065 7.611 0.958
177 HB3 ASN 29 HB3 ASN 29 3.393 9.291 0.548
178 HD21 ASN 29 HD21 ASN 29 2.797 7.034 3.100
179 HD22 ASN 29 HD22 ASN 29 3.179 8.096 4.407
180 HA PRO 30 HA PRO 30 0.412 8.840 -3.372
181 HB2 PRO 30 HB2 PRO 30 2.826 9.763 -4.531
182 HB3 PRO 30 HB3 PRO 30 1.263 10.557 -4.547
183 HG2 PRO 30 HG2 PRO 30 3.571 11.319 -3.101
184 HG3 PRO 30 HG3 PRO 30 1.968 12.063 -3.004
185 HD2 PRO 30 HD2 PRO 30 3.344 10.369 -1.119
186 HD3 PRO 30 HD3 PRO 30 1.828 11.224 -0.870
187 H TYR 31 H TYR 31 3.636 8.041 -2.220
188 HA TYR 31 HA TYR 31 3.661 5.894 -4.174
189 HB2 TYR 31 HB2 TYR 31 5.826 6.932 -2.353
190 HB3 TYR 31 HB3 TYR 31 6.027 5.519 -3.373
191 HD1 TYR 31 HD1 TYR 31 6.837 5.785 -5.536
192 HD2 TYR 31 HD2 TYR 31 5.124 9.150 -3.589
193 HE1 TYR 31 HE1 TYR 31 7.512 7.222 -7.415
194 HE2 TYR 31 HE2 TYR 31 5.800 10.586 -5.457
195 HH TYR 31 HH TYR 31 7.394 10.622 -7.240
196 H TYR 32 H TYR 32 3.277 6.387 -0.729
197 HA TYR 32 HA TYR 32 3.237 3.486 -0.456
198 HB2 TYR 32 HB2 TYR 32 4.768 4.619 1.116
199 HB3 TYR 32 HB3 TYR 32 3.394 5.484 1.804
200 HD1 TYR 32 HD1 TYR 32 2.157 4.507 3.571
201 HD2 TYR 32 HD2 TYR 32 4.689 2.056 1.175
202 HE1 TYR 32 HE1 TYR 32 1.737 2.607 5.063
203 HE2 TYR 32 HE2 TYR 32 4.270 0.156 2.666
204 HH TYR 32 HH TYR 32 3.544 -0.303 4.929
205 H SER 33 H SER 33 1.342 2.589 -0.638
206 HA SER 33 HA SER 33 -0.913 3.878 0.717
207 HB2 SER 33 HB2 SER 33 -1.034 2.021 -1.703
208 HB3 SER 33 HB3 SER 33 -2.384 2.870 -0.956
209 HG SER 33 HG SER 33 -1.247 3.775 -2.926
210 H GLN 34 H GLN 34 -1.910 2.563 2.236
211 HA GLN 34 HA GLN 34 -0.591 -0.044 2.598
212 HB2 GLN 34 HB2 GLN 34 -0.029 1.811 4.226
213 HB3 GLN 34 HB3 GLN 34 -1.702 1.745 4.754
214 HG2 GLN 34 HG2 GLN 34 -1.402 -0.551 5.464
215 HG3 GLN 34 HG3 GLN 34 0.262 -0.529 4.882
216 HE21 GLN 34 HE21 GLN 34 1.243 -0.880 6.804
217 HE22 GLN 34 HE22 GLN 34 1.214 0.208 8.131
218 H CYS 35 H CYS 35 -1.925 -1.762 3.034
219 HA CYS 35 HA CYS 35 -4.735 -1.227 2.610
220 HB2 CYS 35 HB2 CYS 35 -3.527 -3.262 1.546
221 HB3 CYS 35 HB3 CYS 35 -3.586 -3.947 3.155
222 H LEU 36 H LEU 36 -5.933 -0.738 4.184
223 HA LEU 36 HA LEU 36 -5.423 -1.883 6.819
224 HB2 LEU 36 HB2 LEU 36 -6.552 0.836 6.130
225 HB3 LEU 36 HB3 LEU 36 -6.367 0.194 7.747
226 HG LEU 36 HG LEU 36 -4.092 0.759 5.860
227 HD11 LEU 36 HD11 LEU 36 -5.199 2.820 6.524
228 HD12 LEU 36 HD12 LEU 36 -3.632 2.676 7.319
229 HD13 LEU 36 HD13 LEU 36 -5.112 2.343 8.221
230 HD21 LEU 36 HD21 LEU 36 -2.701 0.500 7.872
231 HD22 LEU 36 HD22 LEU 36 -3.559 -0.979 7.451
232 HD23 LEU 36 HD23 LEU 36 -4.133 0.021 8.783
233 H1 MAN 101 H1 MAN 101 2.077 -8.234 3.492
234 H2 MAN 101 H2 MAN 101 2.717 -6.075 2.256
235 H3 MAN 101 H3 MAN 101 1.342 -6.516 0.272
236 H4 MAN 101 H4 MAN 101 3.445 -8.636 -0.211
237 H5 MAN 101 H5 MAN 101 0.419 -8.809 0.288
238 H61 MAN 101 H61 MAN 101 2.489 -10.978 -0.222
239 H62 MAN 101 H62 MAN 101 1.085 -10.593 -1.253
240 HO2 MAN 101 HO2 MAN 101 4.336 -7.602 2.787
241 HO3 MAN 101 HO3 MAN 101 2.896 -5.877 -1.255
242 HO4 MAN 101 HO4 MAN 101 2.669 -7.453 -2.084
243 HO6 MAN 101 HO6 MAN 101 0.927 -11.402 1.481
Start of MODEL 2
1 H1 THR 1 H1 THR 1 -3.624 -11.931 -3.620
2 H2 THR 1 H2 THR 1 -2.727 -11.959 -2.200
3 H3 THR 1 H3 THR 1 -2.169 -11.069 -3.533
4 HA THR 1 HA THR 1 -4.089 -9.621 -3.299
5 HB THR 1 HB THR 1 -5.343 -9.855 -1.109
6 HG1 THR 1 HG1 THR 1 -5.308 -12.170 -0.378
7 HG21 THR 1 HG21 THR 1 -6.344 -10.505 -3.268
8 HG22 THR 1 HG22 THR 1 -6.880 -11.571 -1.971
9 HG23 THR 1 HG23 THR 1 -5.643 -12.115 -3.103
10 H ALA 2 H ALA 2 -3.958 -7.778 -1.979
11 HA ALA 2 HA ALA 2 -1.402 -7.337 -0.818
12 HB1 ALA 2 HB1 ALA 2 -2.229 -5.084 -0.383
13 HB2 ALA 2 HB2 ALA 2 -3.863 -5.577 -0.815
14 HB3 ALA 2 HB3 ALA 2 -2.594 -5.564 -2.038
15 H SER 3 H SER 3 -0.984 -6.932 1.309
16 HA SER 3 HA SER 3 -2.686 -8.487 3.040
17 HB2 SER 3 HB2 SER 3 -0.585 -8.548 4.398
18 HB3 SER 3 HB3 SER 3 -0.460 -9.277 2.786
19 H HIS 4 H HIS 4 -3.126 -7.759 5.136
20 HA HIS 4 HA HIS 4 -3.764 -5.019 5.454
21 HB2 HIS 4 HB2 HIS 4 -4.841 -7.053 6.608
22 HB3 HIS 4 HB3 HIS 4 -3.430 -7.085 7.641
23 HD1 HIS 4 HD1 HIS 4 -4.863 -6.670 9.725
24 HD2 HIS 4 HD2 HIS 4 -5.183 -3.668 6.884
25 HE1 HIS 4 HE1 HIS 4 -6.093 -4.793 10.871
26 HE2 HIS 4 HE2 HIS 4 -6.574 -3.183 9.028
27 H TYR 5 H TYR 5 -2.421 -3.424 5.942
28 HA TYR 5 HA TYR 5 -0.738 -2.186 6.768
29 HB2 TYR 5 HB2 TYR 5 0.162 -4.666 8.240
30 HB3 TYR 5 HB3 TYR 5 1.003 -3.128 8.335
31 HD1 TYR 5 HD1 TYR 5 -1.873 -5.066 9.425
32 HD2 TYR 5 HD2 TYR 5 -0.044 -1.232 9.475
33 HE1 TYR 5 HE1 TYR 5 -3.310 -4.411 11.288
34 HE2 TYR 5 HE2 TYR 5 -1.479 -0.562 11.336
35 HH TYR 5 HH TYR 5 -3.311 -2.809 13.106
36 H GLY 6 H GLY 6 -0.648 -4.188 4.451
37 HA2 GLY 6 HA2 GLY 6 2.222 -3.919 3.901
38 HA3 GLY 6 HA3 GLY 6 1.084 -5.018 3.112
39 H GLN 7 H GLN 7 2.685 -3.432 1.550
40 HA GLN 7 HA GLN 7 1.231 -1.046 0.827
41 HB2 GLN 7 HB2 GLN 7 3.718 -1.194 0.533
42 HB3 GLN 7 HB3 GLN 7 3.463 -2.445 -0.679
43 HG2 GLN 7 HG2 GLN 7 2.356 -0.898 -2.132
44 HG3 GLN 7 HG3 GLN 7 2.428 0.393 -0.945
45 HE21 GLN 7 HE21 GLN 7 3.702 1.797 -2.298
46 HE22 GLN 7 HE22 GLN 7 5.310 1.414 -2.683
47 H CYS 8 H CYS 8 -0.435 -0.992 -0.420
48 HA CYS 8 HA CYS 8 -1.210 -3.430 -1.882
49 HB2 CYS 8 HB2 CYS 8 -3.466 -2.364 -1.820
50 HB3 CYS 8 HB3 CYS 8 -2.789 -2.845 -0.262
51 H GLY 9 H GLY 9 -0.775 0.048 -2.364
52 HA2 GLY 9 HA2 GLY 9 -0.659 -0.340 -5.196
53 HA3 GLY 9 HA3 GLY 9 -2.230 0.256 -4.666
54 H GLY 10 H GLY 10 1.165 0.935 -4.199
55 HA2 GLY 10 HA2 GLY 10 0.437 3.776 -4.240
56 HA3 GLY 10 HA3 GLY 10 1.916 3.126 -3.521
57 H ILE 11 H ILE 11 2.040 5.152 -5.391
58 HA ILE 11 HA ILE 11 2.504 4.218 -8.002
59 HB ILE 11 HB ILE 11 3.877 6.542 -6.586
60 HG12 ILE 11 HG12 ILE 11 1.375 6.559 -8.299
61 HG13 ILE 11 HG13 ILE 11 1.388 6.676 -6.544
62 HG21 ILE 11 HG21 ILE 11 3.489 5.982 -9.533
63 HG22 ILE 11 HG22 ILE 11 5.011 5.872 -8.648
64 HG23 ILE 11 HG23 ILE 11 4.218 7.435 -8.845
65 HD11 ILE 11 HD11 ILE 11 2.617 8.785 -6.705
66 HD12 ILE 11 HD12 ILE 11 1.083 8.849 -7.572
67 HD13 ILE 11 HD13 ILE 11 2.592 8.657 -8.464
68 H GLY 12 H GLY 12 4.102 3.011 -8.788
69 HA2 GLY 12 HA2 GLY 12 6.394 2.384 -8.952
70 HA3 GLY 12 HA3 GLY 12 6.595 2.812 -7.257
71 H TYR 13 H TYR 13 3.823 1.312 -7.037
72 HA TYR 13 HA TYR 13 5.092 -1.283 -6.564
73 HB2 TYR 13 HB2 TYR 13 3.965 -0.182 -4.647
74 HB3 TYR 13 HB3 TYR 13 2.457 -0.187 -5.550
75 HD1 TYR 13 HD1 TYR 13 1.008 -2.041 -5.400
76 HD2 TYR 13 HD2 TYR 13 5.029 -2.433 -4.082
77 HE1 TYR 13 HE1 TYR 13 0.483 -4.244 -4.448
78 HE2 TYR 13 HE2 TYR 13 4.512 -4.634 -3.126
79 HH TYR 13 HH TYR 13 2.436 -5.850 -2.277
80 H SER 14 H SER 14 4.613 -2.962 -7.888
81 HA SER 14 HA SER 14 2.252 -2.691 -9.611
82 HB2 SER 14 HB2 SER 14 3.611 -4.064 -11.247
83 HB3 SER 14 HB3 SER 14 4.203 -2.429 -10.949
84 HG SER 14 HG SER 14 5.902 -3.182 -9.977
85 H GLY 15 H GLY 15 2.882 -4.125 -6.955
86 HA2 GLY 15 HA2 GLY 15 2.566 -6.943 -7.540
87 HA3 GLY 15 HA3 GLY 15 2.588 -6.167 -5.961
88 HA PRO 16 HA PRO 16 -1.777 -7.687 -6.395
89 HB2 PRO 16 HB2 PRO 16 -1.856 -7.778 -3.621
90 HB3 PRO 16 HB3 PRO 16 -1.583 -9.152 -4.688
91 HG2 PRO 16 HG2 PRO 16 0.414 -7.431 -3.254
92 HG3 PRO 16 HG3 PRO 16 0.436 -9.197 -3.489
93 HD2 PRO 16 HD2 PRO 16 1.983 -7.621 -4.878
94 HD3 PRO 16 HD3 PRO 16 1.149 -8.957 -5.689
95 H THR 17 H THR 17 -2.766 -5.746 -6.957
96 HA THR 17 HA THR 17 -2.805 -3.607 -5.033
97 HB THR 17 HB THR 17 -4.387 -2.612 -6.872
98 HG1 THR 17 HG1 THR 17 -3.122 -4.008 -8.788
99 HG21 THR 17 HG21 THR 17 -1.464 -3.162 -7.444
100 HG22 THR 17 HG22 THR 17 -2.085 -1.839 -6.461
101 HG23 THR 17 HG23 THR 17 -2.432 -1.892 -8.191
102 H VAL 18 H VAL 18 -4.585 -6.345 -5.718
103 HA VAL 18 HA VAL 18 -7.090 -5.388 -4.586
104 HB VAL 18 HB VAL 18 -6.249 -8.151 -5.535
105 HG11 VAL 18 HG11 VAL 18 -8.966 -7.214 -4.606
106 HG12 VAL 18 HG12 VAL 18 -7.911 -8.342 -3.759
107 HG13 VAL 18 HG13 VAL 18 -8.606 -8.788 -5.319
108 HG21 VAL 18 HG21 VAL 18 -6.498 -6.545 -7.330
109 HG22 VAL 18 HG22 VAL 18 -8.106 -6.114 -6.749
110 HG23 VAL 18 HG23 VAL 18 -7.800 -7.732 -7.376
111 H CYS 19 H CYS 19 -7.445 -5.433 -2.481
112 HA CYS 19 HA CYS 19 -5.536 -6.637 -0.698
113 HB2 CYS 19 HB2 CYS 19 -8.018 -5.004 -0.276
114 HB3 CYS 19 HB3 CYS 19 -7.165 -5.767 1.058
115 H ALA 20 H ALA 20 -6.484 -7.756 1.296
116 HA ALA 20 HA ALA 20 -7.866 -10.120 0.453
117 HB1 ALA 20 HB1 ALA 20 -6.961 -9.193 3.196
118 HB2 ALA 20 HB2 ALA 20 -6.007 -10.169 2.093
119 HB3 ALA 20 HB3 ALA 20 -7.495 -10.824 2.781
120 H SER 21 H SER 21 -9.853 -10.817 1.739
121 HA SER 21 HA SER 21 -11.839 -8.838 1.542
122 HB2 SER 21 HB2 SER 21 -11.929 -11.507 2.963
123 HB3 SER 21 HB3 SER 21 -13.320 -10.548 2.457
124 HG SER 21 HG SER 21 -12.269 -10.662 0.314
125 H GLY 22 H GLY 22 -12.334 -7.285 2.924
126 HA2 GLY 22 HA2 GLY 22 -13.020 -6.552 5.068
127 HA3 GLY 22 HA3 GLY 22 -11.974 -7.766 5.789
128 H THR 23 H THR 23 -10.345 -6.299 3.282
129 HA THR 23 HA THR 23 -9.271 -4.189 5.013
130 HB THR 23 HB THR 23 -6.969 -4.669 4.024
131 HG1 THR 23 HG1 THR 23 -8.424 -6.679 2.778
132 HG21 THR 23 HG21 THR 23 -6.499 -6.651 5.418
133 HG22 THR 23 HG22 THR 23 -8.235 -6.873 5.657
134 HG23 THR 23 HG23 THR 23 -7.433 -5.429 6.269
135 H THR 24 H THR 24 -8.455 -2.297 3.863
136 HA THR 24 HA THR 24 -9.254 -2.212 1.053
137 HB THR 24 HB THR 24 -10.043 0.197 1.550
138 HG1 THR 24 HG1 THR 24 -9.269 -0.417 3.996
139 HG21 THR 24 HG21 THR 24 -11.589 -1.607 0.934
140 HG22 THR 24 HG22 THR 24 -12.307 -0.560 2.160
141 HG23 THR 24 HG23 THR 24 -11.652 -2.130 2.617
142 H CYS 25 H CYS 25 -7.932 -1.023 -0.276
143 HA CYS 25 HA CYS 25 -5.329 -0.411 0.727
144 HB2 CYS 25 HB2 CYS 25 -5.800 -1.277 -1.588
145 HB3 CYS 25 HB3 CYS 25 -6.511 0.297 -1.952
146 H GLN 26 H GLN 26 -4.939 1.368 1.917
147 HA GLN 26 HA GLN 26 -6.437 3.724 1.214
148 HB2 GLN 26 HB2 GLN 26 -5.150 2.898 3.798
149 HB3 GLN 26 HB3 GLN 26 -5.956 4.442 3.532
150 HG2 GLN 26 HG2 GLN 26 -8.034 3.124 2.971
151 HG3 GLN 26 HG3 GLN 26 -7.173 1.691 3.516
152 HE21 GLN 26 HE21 GLN 26 -8.566 1.281 5.171
153 HE22 GLN 26 HE22 GLN 26 -8.705 2.250 6.574
154 H VAL 27 H VAL 27 -5.400 5.509 0.679
155 HA VAL 27 HA VAL 27 -2.599 5.274 0.032
156 HB VAL 27 HB VAL 27 -4.583 7.510 -0.512
157 HG11 VAL 27 HG11 VAL 27 -2.295 8.355 -0.428
158 HG12 VAL 27 HG12 VAL 27 -2.915 8.385 -2.079
159 HG13 VAL 27 HG13 VAL 27 -1.787 7.125 -1.580
160 HG21 VAL 27 HG21 VAL 27 -4.543 6.697 -2.820
161 HG22 VAL 27 HG22 VAL 27 -5.115 5.444 -1.710
162 HG23 VAL 27 HG23 VAL 27 -3.464 5.391 -2.338
163 H LEU 28 H LEU 28 -1.295 5.587 1.672
164 HA LEU 28 HA LEU 28 -1.862 7.561 3.741
165 HB2 LEU 28 HB2 LEU 28 0.570 5.822 3.332
166 HB3 LEU 28 HB3 LEU 28 0.214 6.761 4.764
167 HG LEU 28 HG LEU 28 -1.284 4.324 3.797
168 HD11 LEU 28 HD11 LEU 28 0.874 3.845 4.738
169 HD12 LEU 28 HD12 LEU 28 -0.408 3.316 5.833
170 HD13 LEU 28 HD13 LEU 28 0.493 4.795 6.175
171 HD21 LEU 28 HD21 LEU 28 -2.812 5.878 4.887
172 HD22 LEU 28 HD22 LEU 28 -1.677 5.998 6.246
173 HD23 LEU 28 HD23 LEU 28 -2.470 4.462 5.895
174 H ASN 29 H ASN 29 0.271 6.971 1.051
175 HA ASN 29 HA ASN 29 1.083 9.739 0.937
176 HB2 ASN 29 HB2 ASN 29 3.020 7.375 0.970
177 HB3 ASN 29 HB3 ASN 29 3.443 9.027 0.563
178 HD21 ASN 29 HD21 ASN 29 2.761 6.808 3.130
179 HD22 ASN 29 HD22 ASN 29 3.212 7.864 4.417
180 HA PRO 30 HA PRO 30 0.402 8.810 -3.326
181 HB2 PRO 30 HB2 PRO 30 2.857 9.606 -4.498
182 HB3 PRO 30 HB3 PRO 30 1.342 10.493 -4.488
183 HG2 PRO 30 HG2 PRO 30 3.697 11.136 -3.062
184 HG3 PRO 30 HG3 PRO 30 2.118 11.916 -2.912
185 HD2 PRO 30 HD2 PRO 30 3.468 10.110 -1.104
186 HD3 PRO 30 HD3 PRO 30 2.008 11.065 -0.820
187 H TYR 31 H TYR 31 3.707 7.931 -2.431
188 HA TYR 31 HA TYR 31 3.593 5.784 -4.382
189 HB2 TYR 31 HB2 TYR 31 5.810 6.746 -2.576
190 HB3 TYR 31 HB3 TYR 31 5.963 5.361 -3.646
191 HD1 TYR 31 HD1 TYR 31 6.862 5.706 -5.744
192 HD2 TYR 31 HD2 TYR 31 5.054 8.991 -3.753
193 HE1 TYR 31 HE1 TYR 31 7.577 7.192 -7.556
194 HE2 TYR 31 HE2 TYR 31 5.766 10.485 -5.561
195 HH TYR 31 HH TYR 31 7.475 10.559 -7.291
196 H TYR 32 H TYR 32 3.333 6.282 -0.946
197 HA TYR 32 HA TYR 32 3.320 3.378 -0.634
198 HB2 TYR 32 HB2 TYR 32 4.866 4.695 0.823
199 HB3 TYR 32 HB3 TYR 32 3.451 5.425 1.568
200 HD1 TYR 32 HD1 TYR 32 5.071 2.154 0.921
201 HD2 TYR 32 HD2 TYR 32 2.391 4.363 3.363
202 HE1 TYR 32 HE1 TYR 32 4.990 0.282 2.503
203 HE2 TYR 32 HE2 TYR 32 2.279 2.509 4.950
204 HH TYR 32 HH TYR 32 2.779 0.215 5.191
205 H SER 33 H SER 33 1.400 2.518 -0.817
206 HA SER 33 HA SER 33 -0.813 3.781 0.617
207 HB2 SER 33 HB2 SER 33 -1.039 1.973 -1.836
208 HB3 SER 33 HB3 SER 33 -2.340 2.829 -1.023
209 HG SER 33 HG SER 33 -1.382 3.736 -3.012
210 H GLN 34 H GLN 34 -1.744 2.440 2.116
211 HA GLN 34 HA GLN 34 -0.544 -0.222 2.301
212 HB2 GLN 34 HB2 GLN 34 0.442 1.362 3.919
213 HB3 GLN 34 HB3 GLN 34 -1.163 1.683 4.551
214 HG2 GLN 34 HG2 GLN 34 -1.362 -0.573 5.328
215 HG3 GLN 34 HG3 GLN 34 0.173 -1.005 4.578
216 HE21 GLN 34 HE21 GLN 34 -1.354 0.544 7.214
217 HE22 GLN 34 HE22 GLN 34 0.079 0.850 8.133
218 H CYS 35 H CYS 35 -1.907 -1.824 2.834
219 HA CYS 35 HA CYS 35 -4.687 -1.176 2.525
220 HB2 CYS 35 HB2 CYS 35 -3.533 -3.260 1.525
221 HB3 CYS 35 HB3 CYS 35 -3.634 -3.908 3.153
222 H LEU 36 H LEU 36 -5.921 -0.661 4.057
223 HA LEU 36 HA LEU 36 -5.496 -1.717 6.716
224 HB2 LEU 36 HB2 LEU 36 -6.283 1.080 5.901
225 HB3 LEU 36 HB3 LEU 36 -6.401 0.466 7.537
226 HG LEU 36 HG LEU 36 -3.807 0.705 5.999
227 HD11 LEU 36 HD11 LEU 36 -4.993 2.504 8.107
228 HD12 LEU 36 HD12 LEU 36 -4.752 2.907 6.408
229 HD13 LEU 36 HD13 LEU 36 -3.361 2.623 7.455
230 HD21 LEU 36 HD21 LEU 36 -3.717 -1.005 7.710
231 HD22 LEU 36 HD22 LEU 36 -4.443 0.090 8.882
232 HD23 LEU 36 HD23 LEU 36 -2.827 0.413 8.273
233 H1 MAN 101 H1 MAN 101 1.891 -8.561 3.962
234 H2 MAN 101 H2 MAN 101 2.666 -6.192 3.709
235 H3 MAN 101 H3 MAN 101 1.739 -5.825 1.425
236 H4 MAN 101 H4 MAN 101 3.925 -7.773 0.707
237 H5 MAN 101 H5 MAN 101 0.870 -7.860 0.485
238 H61 MAN 101 H61 MAN 101 2.983 -9.887 -0.362
239 H62 MAN 101 H62 MAN 101 1.886 -9.017 -1.453
240 HO2 MAN 101 HO2 MAN 101 4.148 -7.959 3.895
241 HO3 MAN 101 HO3 MAN 101 4.588 -5.682 1.564
242 HO4 MAN 101 HO4 MAN 101 3.672 -5.982 -0.630
243 HO6 MAN 101 HO6 MAN 101 0.113 -10.135 -0.531
Start of MODEL 3
1 H1 THR 1 H1 THR 1 -1.865 -11.891 -2.062
2 H2 THR 1 H2 THR 1 -1.513 -10.999 -3.448
3 H3 THR 1 H3 THR 1 -2.741 -12.193 -3.462
4 HA THR 1 HA THR 1 -3.699 -9.946 -3.266
5 HB THR 1 HB THR 1 -3.969 -11.422 -0.671
6 HG1 THR 1 HG1 THR 1 -5.358 -12.258 -3.009
7 HG21 THR 1 HG21 THR 1 -5.988 -10.189 -2.552
8 HG22 THR 1 HG22 THR 1 -5.415 -9.494 -1.036
9 HG23 THR 1 HG23 THR 1 -6.367 -10.978 -1.022
10 H ALA 2 H ALA 2 -3.860 -8.085 -1.928
11 HA ALA 2 HA ALA 2 -1.379 -7.430 -0.625
12 HB1 ALA 2 HB1 ALA 2 -2.494 -5.752 -2.028
13 HB2 ALA 2 HB2 ALA 2 -2.336 -5.192 -0.365
14 HB3 ALA 2 HB3 ALA 2 -3.891 -5.765 -0.954
15 H SER 3 H SER 3 -0.999 -7.564 1.446
16 HA SER 3 HA SER 3 -3.001 -8.755 3.123
17 HB2 SER 3 HB2 SER 3 -1.100 -9.111 4.581
18 HB3 SER 3 HB3 SER 3 -0.704 -9.592 2.925
19 H HIS 4 H HIS 4 -3.097 -7.970 5.383
20 HA HIS 4 HA HIS 4 -3.822 -5.225 5.481
21 HB2 HIS 4 HB2 HIS 4 -4.887 -7.154 6.763
22 HB3 HIS 4 HB3 HIS 4 -3.474 -7.170 7.790
23 HD1 HIS 4 HD1 HIS 4 -5.071 -6.588 9.824
24 HD2 HIS 4 HD2 HIS 4 -4.902 -3.716 6.844
25 HE1 HIS 4 HE1 HIS 4 -6.208 -4.591 10.769
26 HE2 HIS 4 HE2 HIS 4 -6.498 -3.132 8.767
27 H TYR 5 H TYR 5 -2.496 -3.578 5.882
28 HA TYR 5 HA TYR 5 -0.836 -2.319 6.559
29 HB2 TYR 5 HB2 TYR 5 -0.133 -4.635 8.353
30 HB3 TYR 5 HB3 TYR 5 0.950 -3.257 8.219
31 HD1 TYR 5 HD1 TYR 5 0.491 -1.232 9.327
32 HD2 TYR 5 HD2 TYR 5 -2.497 -4.248 9.212
33 HE1 TYR 5 HE1 TYR 5 -0.840 0.031 10.959
34 HE2 TYR 5 HE2 TYR 5 -3.836 -2.982 10.847
35 HH TYR 5 HH TYR 5 -3.104 0.262 11.608
36 H GLY 6 H GLY 6 -0.696 -4.461 4.396
37 HA2 GLY 6 HA2 GLY 6 2.154 -4.153 3.796
38 HA3 GLY 6 HA3 GLY 6 1.007 -5.196 2.949
39 H GLN 7 H GLN 7 2.708 -3.345 1.615
40 HA GLN 7 HA GLN 7 1.136 -1.057 0.917
41 HB2 GLN 7 HB2 GLN 7 3.608 -0.991 0.674
42 HB3 GLN 7 HB3 GLN 7 3.510 -2.285 -0.515
43 HG2 GLN 7 HG2 GLN 7 2.364 -0.873 -2.075
44 HG3 GLN 7 HG3 GLN 7 2.220 0.423 -0.907
45 HE21 GLN 7 HE21 GLN 7 3.397 1.926 -2.275
46 HE22 GLN 7 HE22 GLN 7 5.063 1.735 -2.521
47 H CYS 8 H CYS 8 -0.482 -1.030 -0.367
48 HA CYS 8 HA CYS 8 -1.121 -3.464 -1.865
49 HB2 CYS 8 HB2 CYS 8 -3.433 -2.466 -1.829
50 HB3 CYS 8 HB3 CYS 8 -2.751 -2.951 -0.278
51 H GLY 9 H GLY 9 -1.005 0.067 -2.282
52 HA2 GLY 9 HA2 GLY 9 -0.902 -0.313 -5.148
53 HA3 GLY 9 HA3 GLY 9 -2.432 0.308 -4.537
54 H GLY 10 H GLY 10 0.988 0.914 -4.238
55 HA2 GLY 10 HA2 GLY 10 0.334 3.775 -4.239
56 HA3 GLY 10 HA3 GLY 10 1.840 3.075 -3.627
57 H ILE 11 H ILE 11 1.749 5.116 -5.542
58 HA ILE 11 HA ILE 11 1.930 4.134 -8.164
59 HB ILE 11 HB ILE 11 3.336 6.567 -6.991
60 HG12 ILE 11 HG12 ILE 11 0.591 6.342 -8.272
61 HG13 ILE 11 HG13 ILE 11 0.911 6.602 -6.569
62 HG21 ILE 11 HG21 ILE 11 4.206 5.923 -9.187
63 HG22 ILE 11 HG22 ILE 11 3.288 7.424 -9.301
64 HG23 ILE 11 HG23 ILE 11 2.569 5.909 -9.846
65 HD11 ILE 11 HD11 ILE 11 1.934 8.760 -7.072
66 HD12 ILE 11 HD12 ILE 11 0.275 8.673 -7.663
67 HD13 ILE 11 HD13 ILE 11 1.624 8.506 -8.790
68 H GLY 12 H GLY 12 3.422 2.886 -9.048
69 HA2 GLY 12 HA2 GLY 12 5.700 2.399 -9.581
70 HA3 GLY 12 HA3 GLY 12 6.148 2.919 -7.958
71 H TYR 13 H TYR 13 3.592 1.328 -7.164
72 HA TYR 13 HA TYR 13 5.065 -1.138 -6.710
73 HB2 TYR 13 HB2 TYR 13 3.974 0.003 -4.783
74 HB3 TYR 13 HB3 TYR 13 2.414 -0.222 -5.561
75 HD1 TYR 13 HD1 TYR 13 1.220 -2.255 -5.301
76 HD2 TYR 13 HD2 TYR 13 5.283 -2.015 -4.077
77 HE1 TYR 13 HE1 TYR 13 1.014 -4.446 -4.223
78 HE2 TYR 13 HE2 TYR 13 5.101 -4.207 -2.989
79 HH TYR 13 HH TYR 13 3.220 -5.611 -2.010
80 H SER 14 H SER 14 4.796 -2.767 -8.072
81 HA SER 14 HA SER 14 2.297 -2.899 -9.586
82 HB2 SER 14 HB2 SER 14 3.826 -4.257 -11.177
83 HB3 SER 14 HB3 SER 14 4.009 -2.502 -11.120
84 HG SER 14 HG SER 14 5.944 -2.804 -10.534
85 H GLY 15 H GLY 15 3.032 -4.064 -6.933
86 HA2 GLY 15 HA2 GLY 15 3.038 -6.959 -7.313
87 HA3 GLY 15 HA3 GLY 15 2.953 -6.064 -5.803
88 HA PRO 16 HA PRO 16 -1.288 -7.850 -6.209
89 HB2 PRO 16 HB2 PRO 16 -1.461 -8.050 -3.477
90 HB3 PRO 16 HB3 PRO 16 -0.834 -9.337 -4.514
91 HG2 PRO 16 HG2 PRO 16 0.710 -7.183 -3.075
92 HG3 PRO 16 HG3 PRO 16 0.995 -8.945 -3.063
93 HD2 PRO 16 HD2 PRO 16 2.433 -7.414 -4.585
94 HD3 PRO 16 HD3 PRO 16 1.736 -8.892 -5.275
95 H THR 17 H THR 17 -2.550 -6.084 -6.674
96 HA THR 17 HA THR 17 -2.461 -3.810 -4.863
97 HB THR 17 HB THR 17 -3.817 -2.667 -6.614
98 HG1 THR 17 HG1 THR 17 -3.312 -4.521 -8.567
99 HG21 THR 17 HG21 THR 17 -1.283 -3.988 -7.609
100 HG22 THR 17 HG22 THR 17 -1.365 -2.516 -6.649
101 HG23 THR 17 HG23 THR 17 -2.012 -2.535 -8.294
102 H VAL 18 H VAL 18 -4.333 -6.498 -5.644
103 HA VAL 18 HA VAL 18 -6.855 -5.485 -4.684
104 HB VAL 18 HB VAL 18 -6.007 -8.319 -5.360
105 HG11 VAL 18 HG11 VAL 18 -8.400 -8.802 -5.536
106 HG12 VAL 18 HG12 VAL 18 -8.767 -7.154 -5.031
107 HG13 VAL 18 HG13 VAL 18 -7.973 -8.259 -3.909
108 HG21 VAL 18 HG21 VAL 18 -7.191 -7.958 -7.484
109 HG22 VAL 18 HG22 VAL 18 -5.807 -6.879 -7.295
110 HG23 VAL 18 HG23 VAL 18 -7.439 -6.269 -7.039
111 H CYS 19 H CYS 19 -7.232 -5.304 -2.579
112 HA CYS 19 HA CYS 19 -5.621 -6.613 -0.600
113 HB2 CYS 19 HB2 CYS 19 -8.023 -4.806 -0.433
114 HB3 CYS 19 HB3 CYS 19 -7.298 -5.574 0.976
115 H ALA 20 H ALA 20 -6.548 -7.812 1.173
116 HA ALA 20 HA ALA 20 -8.201 -9.966 0.289
117 HB1 ALA 20 HB1 ALA 20 -6.366 -10.331 1.865
118 HB2 ALA 20 HB2 ALA 20 -7.897 -10.754 2.638
119 HB3 ALA 20 HB3 ALA 20 -7.106 -9.222 3.014
120 H SER 21 H SER 21 -10.301 -10.478 1.317
121 HA SER 21 HA SER 21 -11.991 -8.257 1.263
122 HB2 SER 21 HB2 SER 21 -12.513 -11.039 2.313
123 HB3 SER 21 HB3 SER 21 -13.747 -9.854 1.875
124 HG SER 21 HG SER 21 -12.320 -9.892 -0.194
125 H GLY 22 H GLY 22 -12.426 -6.811 2.713
126 HA2 GLY 22 HA2 GLY 22 -13.177 -6.255 4.948
127 HA3 GLY 22 HA3 GLY 22 -12.034 -7.448 5.558
128 H THR 23 H THR 23 -10.097 -6.425 3.442
129 HA THR 23 HA THR 23 -9.261 -4.123 5.025
130 HB THR 23 HB THR 23 -6.939 -4.592 4.095
131 HG1 THR 23 HG1 THR 23 -8.338 -6.533 2.738
132 HG21 THR 23 HG21 THR 23 -8.229 -6.785 5.721
133 HG22 THR 23 HG22 THR 23 -7.565 -5.281 6.353
134 HG23 THR 23 HG23 THR 23 -6.498 -6.473 5.612
135 H THR 24 H THR 24 -8.459 -2.239 3.976
136 HA THR 24 HA THR 24 -9.347 -2.002 1.195
137 HB THR 24 HB THR 24 -10.008 0.378 1.817
138 HG1 THR 24 HG1 THR 24 -9.188 -0.539 4.287
139 HG21 THR 24 HG21 THR 24 -12.198 -0.275 2.736
140 HG22 THR 24 HG22 THR 24 -11.557 -1.875 3.111
141 HG23 THR 24 HG23 THR 24 -11.699 -1.352 1.432
142 H CYS 25 H CYS 25 -7.957 -1.000 -0.124
143 HA CYS 25 HA CYS 25 -5.313 -0.426 0.792
144 HB2 CYS 25 HB2 CYS 25 -5.870 -1.342 -1.486
145 HB3 CYS 25 HB3 CYS 25 -6.552 0.236 -1.882
146 H GLN 26 H GLN 26 -4.826 1.428 1.898
147 HA GLN 26 HA GLN 26 -6.309 3.778 1.113
148 HB2 GLN 26 HB2 GLN 26 -5.226 2.943 3.779
149 HB3 GLN 26 HB3 GLN 26 -5.903 4.531 3.441
150 HG2 GLN 26 HG2 GLN 26 -8.046 3.445 2.840
151 HG3 GLN 26 HG3 GLN 26 -7.337 1.883 3.239
152 HE21 GLN 26 HE21 GLN 26 -8.845 1.475 4.806
153 HE22 GLN 26 HE22 GLN 26 -8.824 2.283 6.335
154 H VAL 27 H VAL 27 -5.212 5.498 0.571
155 HA VAL 27 HA VAL 27 -2.411 5.310 0.046
156 HB VAL 27 HB VAL 27 -4.390 7.591 -0.298
157 HG11 VAL 27 HG11 VAL 27 -2.126 8.486 -0.090
158 HG12 VAL 27 HG12 VAL 27 -2.717 8.648 -1.744
159 HG13 VAL 27 HG13 VAL 27 -1.564 7.376 -1.339
160 HG21 VAL 27 HG21 VAL 27 -4.302 7.013 -2.667
161 HG22 VAL 27 HG22 VAL 27 -4.829 5.639 -1.685
162 HG23 VAL 27 HG23 VAL 27 -3.184 5.698 -2.304
163 H LEU 28 H LEU 28 -0.921 5.689 1.538
164 HA LEU 28 HA LEU 28 -1.582 7.419 3.794
165 HB2 LEU 28 HB2 LEU 28 0.924 5.815 3.297
166 HB3 LEU 28 HB3 LEU 28 0.514 6.648 4.784
167 HG LEU 28 HG LEU 28 -0.682 4.131 3.654
168 HD11 LEU 28 HD11 LEU 28 0.037 3.188 5.772
169 HD12 LEU 28 HD12 LEU 28 0.664 4.761 6.258
170 HD13 LEU 28 HD13 LEU 28 1.385 3.911 4.895
171 HD21 LEU 28 HD21 LEU 28 -2.531 5.462 4.500
172 HD22 LEU 28 HD22 LEU 28 -1.655 5.735 6.008
173 HD23 LEU 28 HD23 LEU 28 -2.193 4.109 5.583
174 H ASN 29 H ASN 29 0.800 6.959 1.283
175 HA ASN 29 HA ASN 29 1.246 9.843 1.152
176 HB2 ASN 29 HB2 ASN 29 3.378 7.671 0.872
177 HB3 ASN 29 HB3 ASN 29 3.615 9.387 0.566
178 HD21 ASN 29 HD21 ASN 29 5.101 7.710 2.323
179 HD22 ASN 29 HD22 ASN 29 4.911 8.365 3.904
180 HA PRO 30 HA PRO 30 0.253 9.153 -3.069
181 HB2 PRO 30 HB2 PRO 30 2.539 10.026 -4.480
182 HB3 PRO 30 HB3 PRO 30 1.049 10.914 -4.204
183 HG2 PRO 30 HG2 PRO 30 3.615 11.354 -3.018
184 HG3 PRO 30 HG3 PRO 30 2.127 12.269 -2.765
185 HD2 PRO 30 HD2 PRO 30 3.440 10.452 -1.007
186 HD3 PRO 30 HD3 PRO 30 1.965 11.357 -0.677
187 H TYR 31 H TYR 31 3.536 8.056 -2.351
188 HA TYR 31 HA TYR 31 3.162 6.050 -4.422
189 HB2 TYR 31 HB2 TYR 31 5.696 6.811 -2.928
190 HB3 TYR 31 HB3 TYR 31 5.574 5.550 -4.133
191 HD1 TYR 31 HD1 TYR 31 5.695 6.020 -6.411
192 HD2 TYR 31 HD2 TYR 31 5.242 9.227 -3.667
193 HE1 TYR 31 HE1 TYR 31 6.105 7.612 -8.216
194 HE2 TYR 31 HE2 TYR 31 5.656 10.836 -5.480
195 HH TYR 31 HH TYR 31 5.655 9.929 -8.774
196 H TYR 32 H TYR 32 3.257 6.400 -0.976
197 HA TYR 32 HA TYR 32 3.268 3.475 -0.801
198 HB2 TYR 32 HB2 TYR 32 4.919 4.702 0.626
199 HB3 TYR 32 HB3 TYR 32 3.564 5.401 1.509
200 HD1 TYR 32 HD1 TYR 32 5.252 2.223 0.660
201 HD2 TYR 32 HD2 TYR 32 2.470 4.159 3.213
202 HE1 TYR 32 HE1 TYR 32 5.205 0.239 2.083
203 HE2 TYR 32 HE2 TYR 32 2.409 2.163 4.668
204 HH TYR 32 HH TYR 32 4.695 -0.289 4.437
205 H SER 33 H SER 33 1.362 2.584 -0.857
206 HA SER 33 HA SER 33 -0.802 3.794 0.706
207 HB2 SER 33 HB2 SER 33 -1.109 2.020 -1.765
208 HB3 SER 33 HB3 SER 33 -2.389 2.832 -0.878
209 HG SER 33 HG SER 33 -1.459 3.790 -2.899
210 H GLN 34 H GLN 34 -1.710 2.443 2.183
211 HA GLN 34 HA GLN 34 -0.540 -0.238 2.353
212 HB2 GLN 34 HB2 GLN 34 0.495 1.289 3.967
213 HB3 GLN 34 HB3 GLN 34 -1.092 1.722 4.579
214 HG2 GLN 34 HG2 GLN 34 -1.406 -0.500 5.431
215 HG3 GLN 34 HG3 GLN 34 0.110 -1.027 4.707
216 HE21 GLN 34 HE21 GLN 34 2.057 -0.376 5.641
217 HE22 GLN 34 HE22 GLN 34 2.138 0.229 7.243
218 H CYS 35 H CYS 35 -1.934 -1.842 2.918
219 HA CYS 35 HA CYS 35 -4.716 -1.145 2.610
220 HB2 CYS 35 HB2 CYS 35 -3.595 -3.156 1.490
221 HB3 CYS 35 HB3 CYS 35 -3.650 -3.917 3.072
222 H LEU 36 H LEU 36 -6.051 -0.833 4.186
223 HA LEU 36 HA LEU 36 -5.379 -1.800 6.851
224 HB2 LEU 36 HB2 LEU 36 -6.623 0.837 6.071
225 HB3 LEU 36 HB3 LEU 36 -6.385 0.270 7.712
226 HG LEU 36 HG LEU 36 -4.165 0.850 5.751
227 HD11 LEU 36 HD11 LEU 36 -5.128 2.445 8.122
228 HD12 LEU 36 HD12 LEU 36 -5.285 2.895 6.426
229 HD13 LEU 36 HD13 LEU 36 -3.690 2.790 7.165
230 HD21 LEU 36 HD21 LEU 36 -2.698 0.630 7.714
231 HD22 LEU 36 HD22 LEU 36 -3.538 -0.870 7.347
232 HD23 LEU 36 HD23 LEU 36 -4.084 0.139 8.686
233 H1 MAN 101 H1 MAN 101 1.403 -9.327 4.209
234 H2 MAN 101 H2 MAN 101 2.477 -6.628 3.353
235 H3 MAN 101 H3 MAN 101 4.599 -7.442 4.171
236 H4 MAN 101 H4 MAN 101 5.047 -9.236 2.464
237 H5 MAN 101 H5 MAN 101 3.024 -9.766 0.922
238 H61 MAN 101 H61 MAN 101 3.024 -10.743 3.800
239 H62 MAN 101 H62 MAN 101 3.625 -11.579 2.352
240 HO2 MAN 101 HO2 MAN 101 1.299 -6.869 5.361
241 HO3 MAN 101 HO3 MAN 101 3.743 -8.825 5.697
242 HO4 MAN 101 HO4 MAN 101 4.363 -7.842 0.739
243 HO6 MAN 101 HO6 MAN 101 1.107 -10.877 1.881
Start of MODEL 4
1 H1 THR 1 H1 THR 1 -1.905 -11.029 -3.481
2 H2 THR 1 H2 THR 1 -3.403 -11.787 -3.720
3 H3 THR 1 H3 THR 1 -2.646 -11.853 -2.205
4 HA THR 1 HA THR 1 -3.689 -9.447 -3.483
5 HB THR 1 HB THR 1 -5.136 -9.552 -1.354
6 HG1 THR 1 HG1 THR 1 -5.385 -12.093 -1.060
7 HG21 THR 1 HG21 THR 1 -6.818 -10.969 -2.432
8 HG22 THR 1 HG22 THR 1 -5.592 -11.635 -3.501
9 HG23 THR 1 HG23 THR 1 -6.035 -9.931 -3.624
10 H ALA 2 H ALA 2 -3.776 -7.694 -1.806
11 HA ALA 2 HA ALA 2 -1.239 -7.511 -0.447
12 HB1 ALA 2 HB1 ALA 2 -1.945 -5.192 0.003
13 HB2 ALA 2 HB2 ALA 2 -3.512 -5.532 -0.737
14 HB3 ALA 2 HB3 ALA 2 -2.040 -5.586 -1.710
15 H SER 3 H SER 3 -1.002 -7.704 1.653
16 HA SER 3 HA SER 3 -3.194 -8.794 3.134
17 HB2 SER 3 HB2 SER 3 -1.441 -9.316 4.838
18 HB3 SER 3 HB3 SER 3 -1.101 -10.023 3.264
19 H HIS 4 H HIS 4 -3.450 -8.101 5.414
20 HA HIS 4 HA HIS 4 -4.032 -5.352 5.506
21 HB2 HIS 4 HB2 HIS 4 -5.170 -7.235 6.823
22 HB3 HIS 4 HB3 HIS 4 -3.794 -7.193 7.896
23 HD1 HIS 4 HD1 HIS 4 -5.704 -6.542 9.727
24 HD2 HIS 4 HD2 HIS 4 -4.896 -3.715 6.801
25 HE1 HIS 4 HE1 HIS 4 -6.715 -4.409 10.534
26 HE2 HIS 4 HE2 HIS 4 -6.668 -3.011 8.436
27 H TYR 5 H TYR 5 -2.731 -3.737 5.947
28 HA TYR 5 HA TYR 5 -1.159 -2.452 6.748
29 HB2 TYR 5 HB2 TYR 5 -0.274 -4.809 8.429
30 HB3 TYR 5 HB3 TYR 5 0.544 -3.251 8.454
31 HD1 TYR 5 HD1 TYR 5 -2.257 -5.164 9.703
32 HD2 TYR 5 HD2 TYR 5 -0.763 -1.212 9.168
33 HE1 TYR 5 HE1 TYR 5 -3.846 -4.331 11.380
34 HE2 TYR 5 HE2 TYR 5 -2.355 -0.377 10.847
35 HH TYR 5 HH TYR 5 -4.595 -1.122 11.726
36 H GLY 6 H GLY 6 -0.897 -4.601 4.549
37 HA2 GLY 6 HA2 GLY 6 1.949 -4.212 4.028
38 HA3 GLY 6 HA3 GLY 6 0.861 -5.283 3.143
39 H GLN 7 H GLN 7 2.477 -3.549 1.750
40 HA GLN 7 HA GLN 7 1.089 -1.106 1.157
41 HB2 GLN 7 HB2 GLN 7 3.556 -1.315 0.967
42 HB3 GLN 7 HB3 GLN 7 3.334 -2.488 -0.330
43 HG2 GLN 7 HG2 GLN 7 2.299 -0.711 -1.685
44 HG3 GLN 7 HG3 GLN 7 2.613 0.436 -0.378
45 HE21 GLN 7 HE21 GLN 7 4.052 1.725 -1.694
46 HE22 GLN 7 HE22 GLN 7 5.595 1.116 -2.068
47 H CYS 8 H CYS 8 -0.504 -0.859 -0.267
48 HA CYS 8 HA CYS 8 -1.300 -3.248 -1.808
49 HB2 CYS 8 HB2 CYS 8 -3.574 -2.355 -1.599
50 HB3 CYS 8 HB3 CYS 8 -2.786 -2.703 -0.055
51 H GLY 9 H GLY 9 0.031 -0.259 -2.487
52 HA2 GLY 9 HA2 GLY 9 -0.252 -0.365 -5.191
53 HA3 GLY 9 HA3 GLY 9 -1.797 0.251 -4.667
54 H GLY 10 H GLY 10 1.634 0.896 -4.397
55 HA2 GLY 10 HA2 GLY 10 1.004 3.730 -4.118
56 HA3 GLY 10 HA3 GLY 10 2.590 2.989 -3.915
57 H ILE 11 H ILE 11 2.248 5.206 -5.525
58 HA ILE 11 HA ILE 11 1.882 4.604 -8.231
59 HB ILE 11 HB ILE 11 3.582 6.739 -6.944
60 HG12 ILE 11 HG12 ILE 11 0.765 6.817 -8.057
61 HG13 ILE 11 HG13 ILE 11 1.222 6.850 -6.358
62 HG21 ILE 11 HG21 ILE 11 3.459 7.900 -9.143
63 HG22 ILE 11 HG22 ILE 11 2.595 6.496 -9.793
64 HG23 ILE 11 HG23 ILE 11 4.263 6.327 -9.263
65 HD11 ILE 11 HD11 ILE 11 0.605 9.053 -7.156
66 HD12 ILE 11 HD12 ILE 11 1.866 8.966 -8.391
67 HD13 ILE 11 HD13 ILE 11 2.303 9.000 -6.683
68 H GLY 12 H GLY 12 2.976 3.282 -9.448
69 HA2 GLY 12 HA2 GLY 12 4.886 2.507 -10.588
70 HA3 GLY 12 HA3 GLY 12 5.895 3.203 -9.327
71 H TYR 13 H TYR 13 3.471 1.621 -7.806
72 HA TYR 13 HA TYR 13 5.164 -0.718 -7.421
73 HB2 TYR 13 HB2 TYR 13 4.715 0.436 -5.370
74 HB3 TYR 13 HB3 TYR 13 2.999 0.525 -5.713
75 HD1 TYR 13 HD1 TYR 13 1.614 -0.957 -4.652
76 HD2 TYR 13 HD2 TYR 13 5.684 -2.043 -5.200
77 HE1 TYR 13 HE1 TYR 13 1.235 -2.969 -3.328
78 HE2 TYR 13 HE2 TYR 13 5.318 -4.076 -3.865
79 HH TYR 13 HH TYR 13 2.107 -5.010 -2.833
80 H SER 14 H SER 14 4.664 -2.293 -8.736
81 HA SER 14 HA SER 14 1.906 -2.644 -9.585
82 HB2 SER 14 HB2 SER 14 3.101 -4.093 -11.337
83 HB3 SER 14 HB3 SER 14 3.303 -2.345 -11.438
84 HG SER 14 HG SER 14 5.153 -4.185 -11.242
85 H GLY 15 H GLY 15 3.295 -3.624 -7.057
86 HA2 GLY 15 HA2 GLY 15 3.202 -6.517 -7.235
87 HA3 GLY 15 HA3 GLY 15 3.339 -5.575 -5.748
88 HA PRO 16 HA PRO 16 -0.887 -7.589 -5.594
89 HB2 PRO 16 HB2 PRO 16 -0.711 -7.407 -2.802
90 HB3 PRO 16 HB3 PRO 16 -0.360 -8.852 -3.759
91 HG2 PRO 16 HG2 PRO 16 1.522 -6.742 -2.754
92 HG3 PRO 16 HG3 PRO 16 1.736 -8.514 -2.745
93 HD2 PRO 16 HD2 PRO 16 2.965 -7.048 -4.507
94 HD3 PRO 16 HD3 PRO 16 2.147 -8.530 -5.050
95 H THR 17 H THR 17 -2.342 -6.050 -6.066
96 HA THR 17 HA THR 17 -2.335 -3.588 -4.499
97 HB THR 17 HB THR 17 -3.707 -2.755 -6.503
98 HG1 THR 17 HG1 THR 17 -3.868 -4.000 -8.157
99 HG21 THR 17 HG21 THR 17 -0.800 -3.530 -6.899
100 HG22 THR 17 HG22 THR 17 -1.374 -2.075 -6.089
101 HG23 THR 17 HG23 THR 17 -1.667 -2.295 -7.814
102 H VAL 18 H VAL 18 -4.224 -6.274 -5.564
103 HA VAL 18 HA VAL 18 -6.735 -5.272 -4.611
104 HB VAL 18 HB VAL 18 -5.891 -8.060 -5.494
105 HG11 VAL 18 HG11 VAL 18 -7.843 -8.151 -4.056
106 HG12 VAL 18 HG12 VAL 18 -8.278 -8.515 -5.731
107 HG13 VAL 18 HG13 VAL 18 -8.631 -6.925 -5.046
108 HG21 VAL 18 HG21 VAL 18 -7.369 -5.894 -6.978
109 HG22 VAL 18 HG22 VAL 18 -7.051 -7.516 -7.582
110 HG23 VAL 18 HG23 VAL 18 -5.711 -6.407 -7.280
111 H CYS 19 H CYS 19 -7.500 -5.527 -2.558
112 HA CYS 19 HA CYS 19 -5.719 -6.741 -0.616
113 HB2 CYS 19 HB2 CYS 19 -8.140 -4.970 -0.334
114 HB3 CYS 19 HB3 CYS 19 -7.356 -5.752 1.035
115 H ALA 20 H ALA 20 -6.917 -7.781 1.314
116 HA ALA 20 HA ALA 20 -8.342 -10.075 0.288
117 HB1 ALA 20 HB1 ALA 20 -8.002 -10.963 2.558
118 HB2 ALA 20 HB2 ALA 20 -7.332 -9.413 3.064
119 HB3 ALA 20 HB3 ALA 20 -6.482 -10.387 1.869
120 H SER 21 H SER 21 -10.218 -10.860 1.718
121 HA SER 21 HA SER 21 -12.317 -9.013 1.636
122 HB2 SER 21 HB2 SER 21 -12.181 -11.588 3.221
123 HB3 SER 21 HB3 SER 21 -13.622 -10.800 2.566
124 HG SER 21 HG SER 21 -12.545 -11.082 0.471
125 H GLY 22 H GLY 22 -12.491 -7.300 2.980
126 HA2 GLY 22 HA2 GLY 22 -13.155 -6.558 5.149
127 HA3 GLY 22 HA3 GLY 22 -12.091 -7.772 5.843
128 H THR 23 H THR 23 -10.619 -6.194 3.226
129 HA THR 23 HA THR 23 -9.429 -4.197 4.998
130 HB THR 23 HB THR 23 -7.146 -4.734 3.911
131 HG1 THR 23 HG1 THR 23 -8.725 -6.671 2.774
132 HG21 THR 23 HG21 THR 23 -7.653 -5.336 6.235
133 HG22 THR 23 HG22 THR 23 -6.663 -6.569 5.455
134 HG23 THR 23 HG23 THR 23 -8.393 -6.840 5.682
135 H THR 24 H THR 24 -8.548 -2.307 3.916
136 HA THR 24 HA THR 24 -9.446 -2.070 1.141
137 HB THR 24 HB THR 24 -10.081 0.312 1.695
138 HG1 THR 24 HG1 THR 24 -9.280 -0.536 4.196
139 HG21 THR 24 HG21 THR 24 -12.288 -0.287 2.589
140 HG22 THR 24 HG22 THR 24 -11.674 -1.878 3.041
141 HG23 THR 24 HG23 THR 24 -11.780 -1.423 1.339
142 H CYS 25 H CYS 25 -8.115 -0.910 -0.204
143 HA CYS 25 HA CYS 25 -5.464 -0.422 0.755
144 HB2 CYS 25 HB2 CYS 25 -5.960 -1.293 -1.543
145 HB3 CYS 25 HB3 CYS 25 -6.674 0.276 -1.918
146 H GLN 26 H GLN 26 -4.882 1.412 1.767
147 HA GLN 26 HA GLN 26 -6.397 3.781 1.095
148 HB2 GLN 26 HB2 GLN 26 -5.241 2.884 3.717
149 HB3 GLN 26 HB3 GLN 26 -5.893 4.490 3.421
150 HG2 GLN 26 HG2 GLN 26 -8.071 3.507 2.873
151 HG3 GLN 26 HG3 GLN 26 -7.415 1.904 3.151
152 HE21 GLN 26 HE21 GLN 26 -8.925 1.474 4.703
153 HE22 GLN 26 HE22 GLN 26 -8.886 2.162 6.275
154 H VAL 27 H VAL 27 -5.316 5.430 0.414
155 HA VAL 27 HA VAL 27 -2.492 5.205 -0.052
156 HB VAL 27 HB VAL 27 -4.452 7.431 -0.720
157 HG11 VAL 27 HG11 VAL 27 -2.713 8.279 -2.240
158 HG12 VAL 27 HG12 VAL 27 -1.599 7.046 -1.647
159 HG13 VAL 27 HG13 VAL 27 -2.176 8.307 -0.562
160 HG21 VAL 27 HG21 VAL 27 -4.278 6.568 -3.010
161 HG22 VAL 27 HG22 VAL 27 -4.933 5.360 -1.899
162 HG23 VAL 27 HG23 VAL 27 -3.253 5.259 -2.427
163 H LEU 28 H LEU 28 -1.113 5.723 1.440
164 HA LEU 28 HA LEU 28 -1.846 7.652 3.527
165 HB2 LEU 28 HB2 LEU 28 0.594 5.893 3.296
166 HB3 LEU 28 HB3 LEU 28 0.170 6.871 4.681
167 HG LEU 28 HG LEU 28 -1.249 4.395 3.696
168 HD11 LEU 28 HD11 LEU 28 -0.534 3.457 5.807
169 HD12 LEU 28 HD12 LEU 28 0.218 4.991 6.241
170 HD13 LEU 28 HD13 LEU 28 0.848 4.060 4.885
171 HD21 LEU 28 HD21 LEU 28 -2.890 5.985 4.541
172 HD22 LEU 28 HD22 LEU 28 -1.931 6.185 6.014
173 HD23 LEU 28 HD23 LEU 28 -2.676 4.627 5.651
174 H ASN 29 H ASN 29 0.575 6.922 1.115
175 HA ASN 29 HA ASN 29 1.266 9.727 0.876
176 HB2 ASN 29 HB2 ASN 29 3.251 7.391 1.014
177 HB3 ASN 29 HB3 ASN 29 3.660 9.055 0.617
178 HD21 ASN 29 HD21 ASN 29 2.897 6.829 3.171
179 HD22 ASN 29 HD22 ASN 29 3.238 7.872 4.484
180 HA PRO 30 HA PRO 30 0.631 8.664 -3.365
181 HB2 PRO 30 HB2 PRO 30 3.109 9.386 -4.533
182 HB3 PRO 30 HB3 PRO 30 1.595 10.274 -4.587
183 HG2 PRO 30 HG2 PRO 30 3.924 10.983 -3.164
184 HG3 PRO 30 HG3 PRO 30 2.338 11.755 -3.050
185 HD2 PRO 30 HD2 PRO 30 3.693 10.016 -1.170
186 HD3 PRO 30 HD3 PRO 30 2.238 10.986 -0.921
187 H TYR 31 H TYR 31 3.945 7.766 -2.450
188 HA TYR 31 HA TYR 31 3.746 5.594 -4.341
189 HB2 TYR 31 HB2 TYR 31 6.111 6.404 -2.612
190 HB3 TYR 31 HB3 TYR 31 6.115 5.167 -3.857
191 HD1 TYR 31 HD1 TYR 31 5.902 8.826 -3.276
192 HD2 TYR 31 HD2 TYR 31 6.296 5.738 -6.178
193 HE1 TYR 31 HE1 TYR 31 6.536 10.494 -4.961
194 HE2 TYR 31 HE2 TYR 31 6.929 7.414 -7.864
195 HH TYR 31 HH TYR 31 7.835 10.525 -7.039
196 H TYR 32 H TYR 32 3.537 6.163 -0.903
197 HA TYR 32 HA TYR 32 3.432 3.257 -0.516
198 HB2 TYR 32 HB2 TYR 32 5.008 4.483 0.979
199 HB3 TYR 32 HB3 TYR 32 3.626 5.336 1.667
200 HD1 TYR 32 HD1 TYR 32 5.131 1.990 1.219
201 HD2 TYR 32 HD2 TYR 32 2.275 4.319 3.345
202 HE1 TYR 32 HE1 TYR 32 4.781 0.135 2.775
203 HE2 TYR 32 HE2 TYR 32 1.931 2.455 4.919
204 HH TYR 32 HH TYR 32 4.023 -0.152 5.081
205 H SER 33 H SER 33 1.518 2.414 -0.660
206 HA SER 33 HA SER 33 -0.728 3.757 0.670
207 HB2 SER 33 HB2 SER 33 -0.798 1.909 -1.745
208 HB3 SER 33 HB3 SER 33 -2.199 2.677 -1.007
209 HG SER 33 HG SER 33 -1.291 3.698 -2.907
210 H GLN 34 H GLN 34 -1.813 2.402 2.136
211 HA GLN 34 HA GLN 34 -0.585 -0.252 2.440
212 HB2 GLN 34 HB2 GLN 34 0.198 1.496 4.082
213 HB3 GLN 34 HB3 GLN 34 -1.450 1.575 4.676
214 HG2 GLN 34 HG2 GLN 34 -1.340 -0.773 5.301
215 HG3 GLN 34 HG3 GLN 34 0.317 -0.856 4.705
216 HE21 GLN 34 HE21 GLN 34 1.208 -1.367 6.649
217 HE22 GLN 34 HE22 GLN 34 1.271 -0.303 7.997
218 H CYS 35 H CYS 35 -2.003 -1.895 2.938
219 HA CYS 35 HA CYS 35 -4.789 -1.231 2.559
220 HB2 CYS 35 HB2 CYS 35 -3.662 -3.335 1.529
221 HB3 CYS 35 HB3 CYS 35 -3.770 -4.002 3.152
222 H LEU 36 H LEU 36 -6.008 -0.716 4.143
223 HA LEU 36 HA LEU 36 -5.371 -1.651 6.826
224 HB2 LEU 36 HB2 LEU 36 -6.560 0.986 5.966
225 HB3 LEU 36 HB3 LEU 36 -6.258 0.493 7.619
226 HG LEU 36 HG LEU 36 -4.132 0.938 5.521
227 HD11 LEU 36 HD11 LEU 36 -4.923 2.635 7.880
228 HD12 LEU 36 HD12 LEU 36 -5.168 3.026 6.181
229 HD13 LEU 36 HD13 LEU 36 -3.533 2.910 6.830
230 HD21 LEU 36 HD21 LEU 36 -3.899 0.322 8.464
231 HD22 LEU 36 HD22 LEU 36 -2.564 0.766 7.401
232 HD23 LEU 36 HD23 LEU 36 -3.447 -0.733 7.126
233 H1 MAN 101 H1 MAN 101 1.149 -9.972 2.859
234 H2 MAN 101 H2 MAN 101 2.389 -7.182 3.124
235 H3 MAN 101 H3 MAN 101 4.349 -8.090 2.159
236 H4 MAN 101 H4 MAN 101 3.562 -8.768 -0.160
237 H5 MAN 101 H5 MAN 101 1.035 -8.564 -0.506
238 H61 MAN 101 H61 MAN 101 2.122 -10.869 1.181
239 H62 MAN 101 H62 MAN 101 1.922 -10.814 -0.571
240 HO2 MAN 101 HO2 MAN 101 3.818 -8.518 4.466
241 HO3 MAN 101 HO3 MAN 101 4.098 -10.137 3.025
242 HO4 MAN 101 HO4 MAN 101 3.697 -6.583 0.540
243 HO6 MAN 101 HO6 MAN 101 -0.433 -10.354 -0.020
Start of MODEL 5
1 H1 THR 1 H1 THR 1 -1.179 -11.049 -3.155
2 H2 THR 1 H2 THR 1 -2.325 -12.297 -2.996
3 H3 THR 1 H3 THR 1 -1.523 -11.694 -1.646
4 HA THR 1 HA THR 1 -3.369 -10.075 -3.253
5 HB THR 1 HB THR 1 -3.849 -11.265 -0.517
6 HG1 THR 1 HG1 THR 1 -4.534 -13.093 -1.408
7 HG21 THR 1 HG21 THR 1 -5.318 -9.436 -1.295
8 HG22 THR 1 HG22 THR 1 -6.200 -10.947 -1.111
9 HG23 THR 1 HG23 THR 1 -5.734 -10.390 -2.719
10 H ALA 2 H ALA 2 -3.821 -8.051 -2.000
11 HA ALA 2 HA ALA 2 -1.449 -7.182 -0.655
12 HB1 ALA 2 HB1 ALA 2 -4.051 -5.731 -1.227
13 HB2 ALA 2 HB2 ALA 2 -2.549 -5.637 -2.157
14 HB3 ALA 2 HB3 ALA 2 -2.605 -5.008 -0.514
15 H SER 3 H SER 3 -1.132 -7.573 1.283
16 HA SER 3 HA SER 3 -3.148 -8.678 2.949
17 HB2 SER 3 HB2 SER 3 -1.052 -9.013 4.393
18 HB3 SER 3 HB3 SER 3 -1.178 -9.898 2.869
19 H HIS 4 H HIS 4 -3.512 -8.042 5.083
20 HA HIS 4 HA HIS 4 -3.980 -5.296 5.479
21 HB2 HIS 4 HB2 HIS 4 -5.130 -7.317 6.610
22 HB3 HIS 4 HB3 HIS 4 -3.736 -7.361 7.666
23 HD1 HIS 4 HD1 HIS 4 -5.278 -6.856 9.718
24 HD2 HIS 4 HD2 HIS 4 -5.273 -3.898 6.811
25 HE1 HIS 4 HE1 HIS 4 -6.434 -4.891 10.753
26 HE2 HIS 4 HE2 HIS 4 -6.723 -3.299 8.879
27 H TYR 5 H TYR 5 -2.562 -3.776 5.906
28 HA TYR 5 HA TYR 5 -0.938 -2.587 6.822
29 HB2 TYR 5 HB2 TYR 5 -0.119 -5.079 8.330
30 HB3 TYR 5 HB3 TYR 5 0.774 -3.566 8.437
31 HD1 TYR 5 HD1 TYR 5 -2.187 -5.391 9.498
32 HD2 TYR 5 HD2 TYR 5 -0.305 -1.580 9.434
33 HE1 TYR 5 HE1 TYR 5 -3.715 -4.608 11.252
34 HE2 TYR 5 HE2 TYR 5 -1.833 -0.788 11.197
35 HH TYR 5 HH TYR 5 -3.773 -2.880 12.995
36 H GLY 6 H GLY 6 -0.692 -4.741 4.536
37 HA2 GLY 6 HA2 GLY 6 2.143 -4.278 4.047
38 HA3 GLY 6 HA3 GLY 6 1.089 -5.370 3.142
39 H GLN 7 H GLN 7 2.696 -3.579 1.791
40 HA GLN 7 HA GLN 7 1.207 -1.217 1.161
41 HB2 GLN 7 HB2 GLN 7 3.646 -1.188 0.862
42 HB3 GLN 7 HB3 GLN 7 3.535 -2.505 -0.312
43 HG2 GLN 7 HG2 GLN 7 2.405 -1.075 -1.865
44 HG3 GLN 7 HG3 GLN 7 2.314 0.230 -0.693
45 HE21 GLN 7 HE21 GLN 7 3.507 1.668 -2.060
46 HE22 GLN 7 HE22 GLN 7 5.168 1.420 -2.329
47 H CYS 8 H CYS 8 -0.310 -0.979 -0.266
48 HA CYS 8 HA CYS 8 -1.121 -3.399 -1.698
49 HB2 CYS 8 HB2 CYS 8 -3.371 -2.351 -1.702
50 HB3 CYS 8 HB3 CYS 8 -2.711 -2.741 -0.114
51 H GLY 9 H GLY 9 -0.857 0.145 -2.205
52 HA2 GLY 9 HA2 GLY 9 -0.526 -0.320 -5.036
53 HA3 GLY 9 HA3 GLY 9 -2.117 0.271 -4.567
54 H GLY 10 H GLY 10 1.286 1.044 -4.197
55 HA2 GLY 10 HA2 GLY 10 0.492 3.883 -4.267
56 HA3 GLY 10 HA3 GLY 10 2.027 3.279 -3.613
57 H ILE 11 H ILE 11 1.993 5.277 -5.511
58 HA ILE 11 HA ILE 11 2.155 4.362 -8.156
59 HB ILE 11 HB ILE 11 3.611 6.733 -6.936
60 HG12 ILE 11 HG12 ILE 11 0.884 6.555 -8.251
61 HG13 ILE 11 HG13 ILE 11 1.208 6.856 -6.560
62 HG21 ILE 11 HG21 ILE 11 4.531 6.100 -9.114
63 HG22 ILE 11 HG22 ILE 11 3.650 7.623 -9.233
64 HG23 ILE 11 HG23 ILE 11 2.913 6.132 -9.818
65 HD11 ILE 11 HD11 ILE 11 2.257 8.977 -7.086
66 HD12 ILE 11 HD12 ILE 11 0.616 8.914 -7.736
67 HD13 ILE 11 HD13 ILE 11 1.997 8.693 -8.805
68 H GLY 12 H GLY 12 3.552 3.074 -9.072
69 HA2 GLY 12 HA2 GLY 12 5.778 2.524 -9.709
70 HA3 GLY 12 HA3 GLY 12 6.330 3.039 -8.119
71 H TYR 13 H TYR 13 3.655 1.492 -7.390
72 HA TYR 13 HA TYR 13 5.090 -1.004 -6.921
73 HB2 TYR 13 HB2 TYR 13 4.264 0.150 -4.923
74 HB3 TYR 13 HB3 TYR 13 2.635 0.151 -5.579
75 HD1 TYR 13 HD1 TYR 13 1.198 -1.665 -5.185
76 HD2 TYR 13 HD2 TYR 13 5.342 -2.067 -4.360
77 HE1 TYR 13 HE1 TYR 13 0.756 -3.785 -4.042
78 HE2 TYR 13 HE2 TYR 13 4.903 -4.192 -3.203
79 HH TYR 13 HH TYR 13 1.791 -5.710 -3.343
80 H SER 14 H SER 14 4.738 -2.394 -8.521
81 HA SER 14 HA SER 14 2.088 -2.615 -9.709
82 HB2 SER 14 HB2 SER 14 3.399 -3.895 -11.451
83 HB3 SER 14 HB3 SER 14 3.819 -2.187 -11.304
84 HG SER 14 HG SER 14 5.730 -3.227 -11.299
85 H GLY 15 H GLY 15 2.878 -3.708 -7.080
86 HA2 GLY 15 HA2 GLY 15 2.962 -6.604 -7.468
87 HA3 GLY 15 HA3 GLY 15 2.939 -5.772 -5.910
88 HA PRO 16 HA PRO 16 -1.294 -7.629 -6.445
89 HB2 PRO 16 HB2 PRO 16 -1.424 -8.106 -3.732
90 HB3 PRO 16 HB3 PRO 16 -0.803 -9.273 -4.904
91 HG2 PRO 16 HG2 PRO 16 0.731 -7.239 -3.313
92 HG3 PRO 16 HG3 PRO 16 1.055 -8.996 -3.423
93 HD2 PRO 16 HD2 PRO 16 2.456 -7.350 -4.836
94 HD3 PRO 16 HD3 PRO 16 1.740 -8.751 -5.672
95 H THR 17 H THR 17 -2.577 -5.854 -6.718
96 HA THR 17 HA THR 17 -2.531 -3.778 -4.679
97 HB THR 17 HB THR 17 -3.880 -2.447 -6.356
98 HG1 THR 17 HG1 THR 17 -3.869 -3.188 -8.464
99 HG21 THR 17 HG21 THR 17 -1.195 -3.462 -7.320
100 HG22 THR 17 HG22 THR 17 -1.445 -2.164 -6.153
101 HG23 THR 17 HG23 THR 17 -1.978 -1.961 -7.822
102 H VAL 18 H VAL 18 -4.295 -6.457 -5.478
103 HA VAL 18 HA VAL 18 -6.906 -5.477 -4.673
104 HB VAL 18 HB VAL 18 -5.950 -8.294 -5.258
105 HG11 VAL 18 HG11 VAL 18 -7.925 -8.313 -3.857
106 HG12 VAL 18 HG12 VAL 18 -8.318 -8.870 -5.482
107 HG13 VAL 18 HG13 VAL 18 -8.766 -7.240 -4.981
108 HG21 VAL 18 HG21 VAL 18 -5.767 -6.875 -7.216
109 HG22 VAL 18 HG22 VAL 18 -7.437 -6.348 -7.011
110 HG23 VAL 18 HG23 VAL 18 -7.083 -8.030 -7.416
111 H CYS 19 H CYS 19 -7.434 -5.323 -2.579
112 HA CYS 19 HA CYS 19 -5.813 -6.612 -0.577
113 HB2 CYS 19 HB2 CYS 19 -8.086 -4.646 -0.420
114 HB3 CYS 19 HB3 CYS 19 -7.409 -5.448 0.995
115 H ALA 20 H ALA 20 -6.716 -7.769 1.192
116 HA ALA 20 HA ALA 20 -8.390 -9.903 0.326
117 HB1 ALA 20 HB1 ALA 20 -6.484 -10.251 1.807
118 HB2 ALA 20 HB2 ALA 20 -7.983 -10.803 2.564
119 HB3 ALA 20 HB3 ALA 20 -7.258 -9.270 3.053
120 H SER 21 H SER 21 -10.150 -10.639 1.958
121 HA SER 21 HA SER 21 -12.287 -8.840 1.803
122 HB2 SER 21 HB2 SER 21 -12.035 -11.330 3.484
123 HB3 SER 21 HB3 SER 21 -13.518 -10.608 2.849
124 HG SER 21 HG SER 21 -12.589 -10.942 0.735
125 H GLY 22 H GLY 22 -12.462 -7.083 3.030
126 HA2 GLY 22 HA2 GLY 22 -13.120 -6.207 5.178
127 HA3 GLY 22 HA3 GLY 22 -12.021 -7.355 5.928
128 H THR 23 H THR 23 -10.361 -6.282 3.366
129 HA THR 23 HA THR 23 -9.250 -4.072 4.922
130 HB THR 23 HB THR 23 -7.021 -4.666 3.879
131 HG1 THR 23 HG1 THR 23 -8.590 -6.481 2.602
132 HG21 THR 23 HG21 THR 23 -7.547 -5.305 6.168
133 HG22 THR 23 HG22 THR 23 -6.599 -6.558 5.363
134 HG23 THR 23 HG23 THR 23 -8.335 -6.769 5.583
135 H THR 24 H THR 24 -8.466 -2.269 3.794
136 HA THR 24 HA THR 24 -9.241 -2.111 0.971
137 HB THR 24 HB THR 24 -9.906 0.315 1.435
138 HG1 THR 24 HG1 THR 24 -9.175 -0.258 3.928
139 HG21 THR 24 HG21 THR 24 -11.622 -1.898 2.560
140 HG22 THR 24 HG22 THR 24 -11.555 -1.384 0.874
141 HG23 THR 24 HG23 THR 24 -12.199 -0.295 2.104
142 H CYS 25 H CYS 25 -7.920 -0.912 -0.329
143 HA CYS 25 HA CYS 25 -5.283 -0.483 0.676
144 HB2 CYS 25 HB2 CYS 25 -5.708 -1.339 -1.616
145 HB3 CYS 25 HB3 CYS 25 -6.445 0.212 -2.015
146 H GLN 26 H GLN 26 -4.994 1.209 2.007
147 HA GLN 26 HA GLN 26 -6.273 3.662 1.219
148 HB2 GLN 26 HB2 GLN 26 -5.373 2.671 3.891
149 HB3 GLN 26 HB3 GLN 26 -5.637 4.390 3.612
150 HG2 GLN 26 HG2 GLN 26 -7.937 3.852 2.847
151 HG3 GLN 26 HG3 GLN 26 -7.652 2.170 3.296
152 HE21 GLN 26 HE21 GLN 26 -7.802 1.596 5.440
153 HE22 GLN 26 HE22 GLN 26 -8.224 2.717 6.680
154 H VAL 27 H VAL 27 -5.284 5.248 0.509
155 HA VAL 27 HA VAL 27 -2.479 5.132 -0.022
156 HB VAL 27 HB VAL 27 -4.556 7.273 -0.610
157 HG11 VAL 27 HG11 VAL 27 -1.779 6.942 -1.740
158 HG12 VAL 27 HG12 VAL 27 -2.295 8.195 -0.614
159 HG13 VAL 27 HG13 VAL 27 -2.966 8.146 -2.246
160 HG21 VAL 27 HG21 VAL 27 -4.571 6.372 -2.873
161 HG22 VAL 27 HG22 VAL 27 -5.038 5.135 -1.705
162 HG23 VAL 27 HG23 VAL 27 -3.414 5.133 -2.397
163 H LEU 28 H LEU 28 -1.108 5.699 1.506
164 HA LEU 28 HA LEU 28 -1.899 7.636 3.549
165 HB2 LEU 28 HB2 LEU 28 0.598 5.961 3.291
166 HB3 LEU 28 HB3 LEU 28 0.192 6.969 4.665
167 HG LEU 28 HG LEU 28 -1.318 4.503 3.779
168 HD11 LEU 28 HD11 LEU 28 0.817 3.988 4.710
169 HD12 LEU 28 HD12 LEU 28 -0.455 3.543 5.853
170 HD13 LEU 28 HD13 LEU 28 0.507 5.001 6.118
171 HD21 LEU 28 HD21 LEU 28 -1.668 6.288 6.160
172 HD22 LEU 28 HD22 LEU 28 -2.490 4.747 5.900
173 HD23 LEU 28 HD23 LEU 28 -2.812 6.110 4.816
174 H ASN 29 H ASN 29 0.379 7.046 1.001
175 HA ASN 29 HA ASN 29 1.007 9.859 0.772
176 HB2 ASN 29 HB2 ASN 29 3.033 7.585 0.870
177 HB3 ASN 29 HB3 ASN 29 3.404 9.240 0.416
178 HD21 ASN 29 HD21 ASN 29 2.787 7.058 2.985
179 HD22 ASN 29 HD22 ASN 29 3.184 8.108 4.278
180 HA PRO 30 HA PRO 30 0.307 8.711 -3.416
181 HB2 PRO 30 HB2 PRO 30 2.685 9.518 -4.717
182 HB3 PRO 30 HB3 PRO 30 1.148 10.366 -4.670
183 HG2 PRO 30 HG2 PRO 30 3.558 11.100 -3.376
184 HG3 PRO 30 HG3 PRO 30 1.976 11.879 -3.220
185 HD2 PRO 30 HD2 PRO 30 3.397 10.195 -1.350
186 HD3 PRO 30 HD3 PRO 30 1.924 11.142 -1.087
187 H TYR 31 H TYR 31 3.583 7.815 -2.422
188 HA TYR 31 HA TYR 31 3.479 5.687 -4.409
189 HB2 TYR 31 HB2 TYR 31 5.865 6.484 -2.709
190 HB3 TYR 31 HB3 TYR 31 5.857 5.458 -4.137
191 HD1 TYR 31 HD1 TYR 31 5.591 8.913 -2.932
192 HD2 TYR 31 HD2 TYR 31 5.772 6.418 -6.363
193 HE1 TYR 31 HE1 TYR 31 5.953 10.882 -4.325
194 HE2 TYR 31 HE2 TYR 31 6.149 8.397 -7.777
195 HH TYR 31 HH TYR 31 6.885 11.461 -6.454
196 H TYR 32 H TYR 32 3.400 6.266 -0.986
197 HA TYR 32 HA TYR 32 3.406 3.368 -0.545
198 HB2 TYR 32 HB2 TYR 32 4.955 4.720 0.861
199 HB3 TYR 32 HB3 TYR 32 3.555 5.545 1.541
200 HD1 TYR 32 HD1 TYR 32 2.505 4.662 3.473
201 HD2 TYR 32 HD2 TYR 32 4.992 2.140 1.096
202 HE1 TYR 32 HE1 TYR 32 2.321 2.880 5.153
203 HE2 TYR 32 HE2 TYR 32 4.792 0.364 2.776
204 HH TYR 32 HH TYR 32 2.551 0.510 5.371
205 H SER 33 H SER 33 1.515 2.458 -0.624
206 HA SER 33 HA SER 33 -0.700 3.732 0.790
207 HB2 SER 33 HB2 SER 33 -0.954 1.980 -1.714
208 HB3 SER 33 HB3 SER 33 -2.247 2.809 -0.852
209 HG SER 33 HG SER 33 -1.288 3.824 -2.822
210 H GLN 34 H GLN 34 -1.672 2.363 2.253
211 HA GLN 34 HA GLN 34 -0.450 -0.304 2.466
212 HB2 GLN 34 HB2 GLN 34 0.415 1.384 4.105
213 HB3 GLN 34 HB3 GLN 34 -1.216 1.553 4.720
214 HG2 GLN 34 HG2 GLN 34 -1.211 -0.755 5.443
215 HG3 GLN 34 HG3 GLN 34 0.397 -0.984 4.757
216 HE21 GLN 34 HE21 GLN 34 1.397 -1.486 6.682
217 HE22 GLN 34 HE22 GLN 34 1.607 -0.351 7.951
218 H CYS 35 H CYS 35 -1.864 -1.951 2.953
219 HA CYS 35 HA CYS 35 -4.625 -1.248 2.560
220 HB2 CYS 35 HB2 CYS 35 -3.535 -3.317 1.500
221 HB3 CYS 35 HB3 CYS 35 -3.644 -4.043 3.097
222 H LEU 36 H LEU 36 -5.901 -0.745 4.057
223 HA LEU 36 HA LEU 36 -5.720 -1.937 6.706
224 HB2 LEU 36 HB2 LEU 36 -6.191 0.986 6.061
225 HB3 LEU 36 HB3 LEU 36 -6.237 0.268 7.655
226 HG LEU 36 HG LEU 36 -3.760 0.467 5.934
227 HD11 LEU 36 HD11 LEU 36 -4.633 2.134 8.287
228 HD12 LEU 36 HD12 LEU 36 -4.543 2.661 6.606
229 HD13 LEU 36 HD13 LEU 36 -3.070 2.230 7.474
230 HD21 LEU 36 HD21 LEU 36 -3.690 -1.395 7.505
231 HD22 LEU 36 HD22 LEU 36 -4.135 -0.317 8.825
232 HD23 LEU 36 HD23 LEU 36 -2.585 -0.116 8.008
233 H1 MAN 101 H1 MAN 101 1.342 -9.468 4.058
234 H2 MAN 101 H2 MAN 101 2.570 -7.420 3.249
235 H3 MAN 101 H3 MAN 101 1.696 -7.385 0.923
236 H4 MAN 101 H4 MAN 101 3.370 -9.898 0.666
237 H5 MAN 101 H5 MAN 101 0.328 -9.458 0.495
238 H61 MAN 101 H61 MAN 101 0.212 -11.925 0.382
239 H62 MAN 101 H62 MAN 101 1.988 -12.032 0.295
240 HO2 MAN 101 HO2 MAN 101 3.639 -9.321 3.883
241 HO3 MAN 101 HO3 MAN 101 4.473 -7.928 1.203
242 HO4 MAN 101 HO4 MAN 101 3.337 -8.434 -1.109
243 HO6 MAN 101 HO6 MAN 101 1.620 -10.467 -1.562
Start of MODEL 6
1 H1 THR 1 H1 THR 1 -3.816 -11.756 -3.975
2 H2 THR 1 H2 THR 1 -3.035 -11.807 -2.489
3 H3 THR 1 H3 THR 1 -2.306 -10.975 -3.765
4 HA THR 1 HA THR 1 -4.290 -9.474 -3.656
5 HB THR 1 HB THR 1 -5.322 -9.700 -1.270
6 HG1 THR 1 HG1 THR 1 -5.437 -12.008 -0.716
7 HG21 THR 1 HG21 THR 1 -7.119 -11.141 -2.137
8 HG22 THR 1 HG22 THR 1 -6.074 -11.665 -3.453
9 HG23 THR 1 HG23 THR 1 -6.604 -9.987 -3.366
10 H ALA 2 H ALA 2 -4.190 -7.647 -2.179
11 HA ALA 2 HA ALA 2 -1.548 -7.233 -1.166
12 HB1 ALA 2 HB1 ALA 2 -2.709 -5.430 -2.308
13 HB2 ALA 2 HB2 ALA 2 -2.367 -4.972 -0.638
14 HB3 ALA 2 HB3 ALA 2 -4.002 -5.456 -1.106
15 H SER 3 H SER 3 -1.072 -6.815 1.014
16 HA SER 3 HA SER 3 -2.758 -8.435 2.716
17 HB2 SER 3 HB2 SER 3 -0.629 -8.719 3.970
18 HB3 SER 3 HB3 SER 3 -0.599 -9.326 2.310
19 H HIS 4 H HIS 4 -2.956 -7.842 4.920
20 HA HIS 4 HA HIS 4 -3.656 -5.120 5.317
21 HB2 HIS 4 HB2 HIS 4 -4.632 -7.235 6.488
22 HB3 HIS 4 HB3 HIS 4 -3.200 -7.167 7.492
23 HD1 HIS 4 HD1 HIS 4 -5.499 -6.944 9.189
24 HD2 HIS 4 HD2 HIS 4 -4.186 -3.600 7.115
25 HE1 HIS 4 HE1 HIS 4 -6.489 -4.993 10.381
26 HE2 HIS 4 HE2 HIS 4 -6.005 -3.071 8.871
27 H TYR 5 H TYR 5 -2.355 -3.538 5.856
28 HA TYR 5 HA TYR 5 -0.744 -2.311 6.789
29 HB2 TYR 5 HB2 TYR 5 0.339 -4.865 8.009
30 HB3 TYR 5 HB3 TYR 5 1.054 -3.283 8.260
31 HD1 TYR 5 HD1 TYR 5 -0.355 -1.509 9.392
32 HD2 TYR 5 HD2 TYR 5 -1.448 -5.620 9.331
33 HE1 TYR 5 HE1 TYR 5 -1.812 -1.145 11.324
34 HE2 TYR 5 HE2 TYR 5 -2.918 -5.261 11.267
35 HH TYR 5 HH TYR 5 -2.933 -3.565 13.201
36 H GLY 6 H GLY 6 -0.479 -4.439 4.424
37 HA2 GLY 6 HA2 GLY 6 2.322 -3.879 3.838
38 HA3 GLY 6 HA3 GLY 6 1.259 -4.993 2.973
39 H GLN 7 H GLN 7 2.667 -3.359 1.433
40 HA GLN 7 HA GLN 7 1.206 -0.937 0.931
41 HB2 GLN 7 HB2 GLN 7 3.663 -1.106 0.582
42 HB3 GLN 7 HB3 GLN 7 3.392 -2.290 -0.678
43 HG2 GLN 7 HG2 GLN 7 2.252 -0.596 -2.023
44 HG3 GLN 7 HG3 GLN 7 2.494 0.595 -0.747
45 HE21 GLN 7 HE21 GLN 7 3.837 1.979 -2.059
46 HE22 GLN 7 HE22 GLN 7 5.396 1.464 -2.496
47 H CYS 8 H CYS 8 -0.411 -0.744 -0.458
48 HA CYS 8 HA CYS 8 -1.209 -3.199 -1.876
49 HB2 CYS 8 HB2 CYS 8 -3.490 -2.325 -1.708
50 HB3 CYS 8 HB3 CYS 8 -2.718 -2.654 -0.152
51 H GLY 9 H GLY 9 -0.591 0.213 -2.375
52 HA2 GLY 9 HA2 GLY 9 -0.689 -0.109 -5.203
53 HA3 GLY 9 HA3 GLY 9 -2.193 0.576 -4.602
54 H GLY 10 H GLY 10 1.267 1.045 -4.206
55 HA2 GLY 10 HA2 GLY 10 0.744 3.940 -4.246
56 HA3 GLY 10 HA3 GLY 10 2.184 3.188 -3.550
57 H ILE 11 H ILE 11 2.402 5.209 -5.426
58 HA ILE 11 HA ILE 11 2.727 4.327 -8.063
59 HB ILE 11 HB ILE 11 4.368 6.455 -6.640
60 HG12 ILE 11 HG12 ILE 11 1.835 6.755 -8.279
61 HG13 ILE 11 HG13 ILE 11 1.912 6.846 -6.523
62 HG21 ILE 11 HG21 ILE 11 3.836 6.009 -9.580
63 HG22 ILE 11 HG22 ILE 11 5.353 5.701 -8.743
64 HG23 ILE 11 HG23 ILE 11 4.755 7.357 -8.896
65 HD11 ILE 11 HD11 ILE 11 3.244 8.723 -8.468
66 HD12 ILE 11 HD12 ILE 11 3.371 8.812 -6.713
67 HD13 ILE 11 HD13 ILE 11 1.812 9.067 -7.493
68 H GLY 12 H GLY 12 4.016 2.809 -8.820
69 HA2 GLY 12 HA2 GLY 12 6.165 1.951 -9.286
70 HA3 GLY 12 HA3 GLY 12 6.719 2.553 -7.734
71 H TYR 13 H TYR 13 3.847 1.230 -7.045
72 HA TYR 13 HA TYR 13 5.093 -1.288 -6.315
73 HB2 TYR 13 HB2 TYR 13 3.905 -0.182 -4.509
74 HB3 TYR 13 HB3 TYR 13 2.444 -0.075 -5.481
75 HD1 TYR 13 HD1 TYR 13 0.809 -1.680 -5.212
76 HD2 TYR 13 HD2 TYR 13 4.781 -2.634 -4.041
77 HE1 TYR 13 HE1 TYR 13 0.023 -3.811 -4.298
78 HE2 TYR 13 HE2 TYR 13 3.997 -4.780 -3.113
79 HH TYR 13 HH TYR 13 0.701 -5.844 -3.647
80 H SER 14 H SER 14 5.039 -2.764 -7.757
81 HA SER 14 HA SER 14 2.796 -2.932 -9.597
82 HB2 SER 14 HB2 SER 14 4.645 -4.409 -10.785
83 HB3 SER 14 HB3 SER 14 4.654 -2.650 -10.914
84 HG SER 14 HG SER 14 6.364 -2.555 -9.787
85 H GLY 15 H GLY 15 2.914 -4.007 -6.855
86 HA2 GLY 15 HA2 GLY 15 2.750 -6.887 -7.372
87 HA3 GLY 15 HA3 GLY 15 2.685 -6.130 -5.779
88 HA PRO 16 HA PRO 16 -1.649 -7.448 -6.916
89 HB2 PRO 16 HB2 PRO 16 -2.076 -8.214 -4.297
90 HB3 PRO 16 HB3 PRO 16 -1.500 -9.311 -5.559
91 HG2 PRO 16 HG2 PRO 16 0.115 -7.682 -3.611
92 HG3 PRO 16 HG3 PRO 16 0.251 -9.437 -3.940
93 HD2 PRO 16 HD2 PRO 16 1.935 -7.804 -5.003
94 HD3 PRO 16 HD3 PRO 16 1.158 -8.982 -6.079
95 H THR 17 H THR 17 -3.117 -5.860 -6.830
96 HA THR 17 HA THR 17 -2.806 -3.704 -4.872
97 HB THR 17 HB THR 17 -4.377 -2.558 -6.584
98 HG1 THR 17 HG1 THR 17 -4.873 -3.753 -8.246
99 HG21 THR 17 HG21 THR 17 -1.999 -1.962 -6.311
100 HG22 THR 17 HG22 THR 17 -2.455 -1.937 -8.014
101 HG23 THR 17 HG23 THR 17 -1.537 -3.295 -7.367
102 H VAL 18 H VAL 18 -4.901 -6.266 -5.795
103 HA VAL 18 HA VAL 18 -7.265 -5.159 -4.551
104 HB VAL 18 HB VAL 18 -6.696 -7.996 -5.496
105 HG11 VAL 18 HG11 VAL 18 -9.126 -8.289 -5.484
106 HG12 VAL 18 HG12 VAL 18 -9.312 -6.667 -4.827
107 HG13 VAL 18 HG13 VAL 18 -8.512 -7.917 -3.871
108 HG21 VAL 18 HG21 VAL 18 -6.577 -6.387 -7.330
109 HG22 VAL 18 HG22 VAL 18 -8.170 -5.770 -6.886
110 HG23 VAL 18 HG23 VAL 18 -7.997 -7.425 -7.468
111 H CYS 19 H CYS 19 -7.588 -5.237 -2.433
112 HA CYS 19 HA CYS 19 -5.730 -6.554 -0.703
113 HB2 CYS 19 HB2 CYS 19 -8.154 -4.868 -0.205
114 HB3 CYS 19 HB3 CYS 19 -7.288 -5.688 1.093
115 H ALA 20 H ALA 20 -6.657 -7.660 1.315
116 HA ALA 20 HA ALA 20 -8.094 -9.990 0.454
117 HB1 ALA 20 HB1 ALA 20 -6.100 -10.199 1.879
118 HB2 ALA 20 HB2 ALA 20 -7.528 -10.834 2.700
119 HB3 ALA 20 HB3 ALA 20 -6.892 -9.247 3.128
120 H SER 21 H SER 21 -9.884 -10.806 1.907
121 HA SER 21 HA SER 21 -12.049 -9.085 1.982
122 HB2 SER 21 HB2 SER 21 -11.682 -11.542 3.684
123 HB3 SER 21 HB3 SER 21 -13.194 -10.881 3.053
124 HG SER 21 HG SER 21 -11.634 -12.667 1.978
125 H GLY 22 H GLY 22 -12.321 -7.365 3.258
126 HA2 GLY 22 HA2 GLY 22 -12.966 -6.614 5.436
127 HA3 GLY 22 HA3 GLY 22 -11.716 -7.644 6.118
128 H THR 23 H THR 23 -10.102 -6.532 3.661
129 HA THR 23 HA THR 23 -9.210 -4.175 5.161
130 HB THR 23 HB THR 23 -6.926 -4.630 4.134
131 HG1 THR 23 HG1 THR 23 -8.366 -6.570 2.877
132 HG21 THR 23 HG21 THR 23 -8.115 -6.787 5.878
133 HG22 THR 23 HG22 THR 23 -7.449 -5.254 6.441
134 HG23 THR 23 HG23 THR 23 -6.395 -6.451 5.684
135 H THR 24 H THR 24 -8.491 -2.308 4.001
136 HA THR 24 HA THR 24 -9.390 -2.227 1.214
137 HB THR 24 HB THR 24 -10.124 0.150 1.667
138 HG1 THR 24 HG1 THR 24 -9.341 -0.598 4.233
139 HG21 THR 24 HG21 THR 24 -11.587 -2.014 3.185
140 HG22 THR 24 HG22 THR 24 -11.786 -1.634 1.473
141 HG23 THR 24 HG23 THR 24 -12.277 -0.468 2.700
142 H CYS 25 H CYS 25 -8.078 -1.082 -0.151
143 HA CYS 25 HA CYS 25 -5.420 -0.535 0.746
144 HB2 CYS 25 HB2 CYS 25 -5.917 -1.420 -1.529
145 HB3 CYS 25 HB3 CYS 25 -6.732 0.100 -1.900
146 H GLN 26 H GLN 26 -4.987 1.261 1.916
147 HA GLN 26 HA GLN 26 -6.483 3.623 1.204
148 HB2 GLN 26 HB2 GLN 26 -5.222 2.792 3.799
149 HB3 GLN 26 HB3 GLN 26 -6.005 4.348 3.524
150 HG2 GLN 26 HG2 GLN 26 -8.107 3.118 2.997
151 HG3 GLN 26 HG3 GLN 26 -7.283 1.619 3.404
152 HE21 GLN 26 HE21 GLN 26 -8.724 1.154 5.030
153 HE22 GLN 26 HE22 GLN 26 -8.727 1.995 6.535
154 H VAL 27 H VAL 27 -5.409 5.120 0.250
155 HA VAL 27 HA VAL 27 -2.568 4.941 -0.113
156 HB VAL 27 HB VAL 27 -4.553 7.033 -1.072
157 HG11 VAL 27 HG11 VAL 27 -2.302 7.921 -1.043
158 HG12 VAL 27 HG12 VAL 27 -2.814 7.637 -2.711
159 HG13 VAL 27 HG13 VAL 27 -1.711 6.511 -1.912
160 HG21 VAL 27 HG21 VAL 27 -5.053 4.816 -1.967
161 HG22 VAL 27 HG22 VAL 27 -3.384 4.654 -2.516
162 HG23 VAL 27 HG23 VAL 27 -4.431 5.877 -3.230
163 H LEU 28 H LEU 28 -1.295 5.624 1.412
164 HA LEU 28 HA LEU 28 -2.174 7.663 3.297
165 HB2 LEU 28 HB2 LEU 28 0.408 6.085 3.221
166 HB3 LEU 28 HB3 LEU 28 -0.143 7.091 4.541
167 HG LEU 28 HG LEU 28 -1.417 4.501 3.642
168 HD11 LEU 28 HD11 LEU 28 0.177 5.215 6.089
169 HD12 LEU 28 HD12 LEU 28 0.677 4.161 4.760
170 HD13 LEU 28 HD13 LEU 28 -0.649 3.680 5.820
171 HD21 LEU 28 HD21 LEU 28 -3.096 6.022 4.519
172 HD22 LEU 28 HD22 LEU 28 -2.064 6.310 5.934
173 HD23 LEU 28 HD23 LEU 28 -2.756 4.710 5.664
174 H ASN 29 H ASN 29 0.479 6.964 1.142
175 HA ASN 29 HA ASN 29 0.957 9.823 0.714
176 HB2 ASN 29 HB2 ASN 29 2.987 7.543 0.862
177 HB3 ASN 29 HB3 ASN 29 3.336 9.162 0.273
178 HD21 ASN 29 HD21 ASN 29 4.500 7.641 2.495
179 HD22 ASN 29 HD22 ASN 29 4.306 8.631 3.881
180 HA PRO 30 HA PRO 30 0.306 8.552 -3.488
181 HB2 PRO 30 HB2 PRO 30 2.681 9.501 -4.708
182 HB3 PRO 30 HB3 PRO 30 1.086 10.232 -4.760
183 HG2 PRO 30 HG2 PRO 30 3.354 11.186 -3.394
184 HG3 PRO 30 HG3 PRO 30 1.705 11.825 -3.270
185 HD2 PRO 30 HD2 PRO 30 3.251 10.240 -1.396
186 HD3 PRO 30 HD3 PRO 30 1.739 11.092 -1.099
187 H TYR 31 H TYR 31 3.595 7.992 -2.339
188 HA TYR 31 HA TYR 31 3.743 5.725 -4.139
189 HB2 TYR 31 HB2 TYR 31 5.798 7.002 -2.339
190 HB3 TYR 31 HB3 TYR 31 6.086 5.468 -3.149
191 HD1 TYR 31 HD1 TYR 31 4.756 8.849 -4.121
192 HD2 TYR 31 HD2 TYR 31 7.381 5.636 -5.035
193 HE1 TYR 31 HE1 TYR 31 5.513 10.046 -6.119
194 HE2 TYR 31 HE2 TYR 31 8.151 6.827 -7.038
195 HH TYR 31 HH TYR 31 7.376 8.520 -8.542
196 H TYR 32 H TYR 32 3.231 6.406 -0.740
197 HA TYR 32 HA TYR 32 3.333 3.526 -0.306
198 HB2 TYR 32 HB2 TYR 32 4.790 4.829 1.204
199 HB3 TYR 32 HB3 TYR 32 3.368 5.648 1.844
200 HD1 TYR 32 HD1 TYR 32 4.599 2.165 1.260
201 HD2 TYR 32 HD2 TYR 32 2.455 4.812 3.815
202 HE1 TYR 32 HE1 TYR 32 4.323 0.348 2.897
203 HE2 TYR 32 HE2 TYR 32 2.170 3.011 5.453
204 HH TYR 32 HH TYR 32 2.244 0.689 5.652
205 H SER 33 H SER 33 1.514 2.542 -0.452
206 HA SER 33 HA SER 33 -0.832 3.770 0.792
207 HB2 SER 33 HB2 SER 33 -0.854 1.967 -1.666
208 HB3 SER 33 HB3 SER 33 -2.227 2.799 -0.936
209 HG SER 33 HG SER 33 -1.147 3.798 -2.845
210 H GLN 34 H GLN 34 -1.741 2.458 2.287
211 HA GLN 34 HA GLN 34 -0.564 -0.209 2.536
212 HB2 GLN 34 HB2 GLN 34 0.401 1.150 4.242
213 HB3 GLN 34 HB3 GLN 34 -1.144 1.881 4.624
214 HG2 GLN 34 HG2 GLN 34 -1.921 -0.168 5.613
215 HG3 GLN 34 HG3 GLN 34 -0.455 -1.003 5.096
216 HE21 GLN 34 HE21 GLN 34 1.382 -0.826 6.312
217 HE22 GLN 34 HE22 GLN 34 1.415 0.048 7.806
218 H CYS 35 H CYS 35 -1.940 -1.845 2.934
219 HA CYS 35 HA CYS 35 -4.736 -1.199 2.627
220 HB2 CYS 35 HB2 CYS 35 -3.627 -3.213 1.489
221 HB3 CYS 35 HB3 CYS 35 -3.619 -3.954 3.080
222 H LEU 36 H LEU 36 -6.058 -0.911 4.199
223 HA LEU 36 HA LEU 36 -5.451 -1.970 6.841
224 HB2 LEU 36 HB2 LEU 36 -6.597 0.729 6.118
225 HB3 LEU 36 HB3 LEU 36 -6.497 0.091 7.744
226 HG LEU 36 HG LEU 36 -4.127 0.709 5.980
227 HD11 LEU 36 HD11 LEU 36 -3.745 2.575 7.528
228 HD12 LEU 36 HD12 LEU 36 -5.271 2.204 8.336
229 HD13 LEU 36 HD13 LEU 36 -5.268 2.738 6.655
230 HD21 LEU 36 HD21 LEU 36 -2.829 0.377 8.038
231 HD22 LEU 36 HD22 LEU 36 -3.664 -1.093 7.549
232 HD23 LEU 36 HD23 LEU 36 -4.299 -0.116 8.876
233 H1 MAN 101 H1 MAN 101 1.722 -9.103 3.190
234 H2 MAN 101 H2 MAN 101 2.684 -6.481 2.930
235 H3 MAN 101 H3 MAN 101 4.330 -6.465 1.279
236 H4 MAN 101 H4 MAN 101 3.127 -6.800 -0.843
237 H5 MAN 101 H5 MAN 101 0.537 -7.621 -0.030
238 H61 MAN 101 H61 MAN 101 1.624 -8.213 -2.147
239 H62 MAN 101 H62 MAN 101 0.915 -9.644 -1.353
240 HO2 MAN 101 HO2 MAN 101 4.656 -7.616 3.416
241 HO3 MAN 101 HO3 MAN 101 4.889 -8.688 1.591
242 HO4 MAN 101 HO4 MAN 101 1.426 -5.390 -0.285
243 HO6 MAN 101 HO6 MAN 101 3.408 -9.397 -0.448
Start of MODEL 7
1 H1 THR 1 H1 THR 1 -2.287 -11.879 -1.563
2 H2 THR 1 H2 THR 1 -1.456 -11.243 -2.888
3 H3 THR 1 H3 THR 1 -2.876 -12.141 -3.121
4 HA THR 1 HA THR 1 -3.283 -9.813 -3.367
5 HB THR 1 HB THR 1 -5.051 -9.646 -1.499
6 HG1 THR 1 HG1 THR 1 -5.420 -11.643 -0.391
7 HG21 THR 1 HG21 THR 1 -5.582 -10.512 -3.737
8 HG22 THR 1 HG22 THR 1 -6.474 -11.372 -2.485
9 HG23 THR 1 HG23 THR 1 -5.063 -12.124 -3.233
10 H ALA 2 H ALA 2 -3.807 -7.851 -1.934
11 HA ALA 2 HA ALA 2 -1.399 -7.157 -0.534
12 HB1 ALA 2 HB1 ALA 2 -3.910 -5.560 -1.100
13 HB2 ALA 2 HB2 ALA 2 -2.423 -5.534 -2.045
14 HB3 ALA 2 HB3 ALA 2 -2.426 -4.924 -0.390
15 H SER 3 H SER 3 -1.197 -7.736 1.425
16 HA SER 3 HA SER 3 -3.357 -8.603 3.048
17 HB2 SER 3 HB2 SER 3 -1.403 -8.925 4.662
18 HB3 SER 3 HB3 SER 3 -1.412 -9.894 3.191
19 H HIS 4 H HIS 4 -3.552 -7.909 5.278
20 HA HIS 4 HA HIS 4 -4.019 -5.137 5.533
21 HB2 HIS 4 HB2 HIS 4 -5.102 -7.132 6.786
22 HB3 HIS 4 HB3 HIS 4 -3.684 -7.086 7.818
23 HD1 HIS 4 HD1 HIS 4 -6.087 -6.709 9.332
24 HD2 HIS 4 HD2 HIS 4 -4.389 -3.493 7.354
25 HE1 HIS 4 HE1 HIS 4 -7.037 -4.660 10.449
26 HE2 HIS 4 HE2 HIS 4 -5.933 -2.730 9.319
27 H TYR 5 H TYR 5 -2.583 -3.626 5.910
28 HA TYR 5 HA TYR 5 -0.875 -2.458 6.706
29 HB2 TYR 5 HB2 TYR 5 -0.023 -4.966 8.174
30 HB3 TYR 5 HB3 TYR 5 0.926 -3.486 8.199
31 HD1 TYR 5 HD1 TYR 5 -2.046 -5.171 9.457
32 HD2 TYR 5 HD2 TYR 5 0.058 -1.482 9.319
33 HE1 TYR 5 HE1 TYR 5 -3.392 -4.338 11.331
34 HE2 TYR 5 HE2 TYR 5 -1.284 -0.641 11.199
35 HH TYR 5 HH TYR 5 -3.249 -2.684 13.064
36 H GLY 6 H GLY 6 -0.902 -4.603 4.441
37 HA2 GLY 6 HA2 GLY 6 1.906 -4.312 3.709
38 HA3 GLY 6 HA3 GLY 6 0.716 -5.337 2.911
39 H GLN 7 H GLN 7 2.359 -3.533 1.524
40 HA GLN 7 HA GLN 7 0.938 -1.122 0.976
41 HB2 GLN 7 HB2 GLN 7 3.389 -1.372 0.618
42 HB3 GLN 7 HB3 GLN 7 3.073 -2.531 -0.659
43 HG2 GLN 7 HG2 GLN 7 1.965 -0.744 -1.960
44 HG3 GLN 7 HG3 GLN 7 2.347 0.396 -0.666
45 HE21 GLN 7 HE21 GLN 7 3.691 1.691 -2.122
46 HE22 GLN 7 HE22 GLN 7 5.208 1.073 -2.582
47 H CYS 8 H CYS 8 -0.544 -0.736 -0.624
48 HA CYS 8 HA CYS 8 -1.513 -3.148 -2.054
49 HB2 CYS 8 HB2 CYS 8 -3.754 -2.259 -1.733
50 HB3 CYS 8 HB3 CYS 8 -2.922 -2.667 -0.224
51 H GLY 9 H GLY 9 -0.350 -0.010 -2.657
52 HA2 GLY 9 HA2 GLY 9 -0.791 -0.051 -5.383
53 HA3 GLY 9 HA3 GLY 9 -2.274 0.564 -4.687
54 H GLY 10 H GLY 10 1.187 1.128 -4.544
55 HA2 GLY 10 HA2 GLY 10 0.592 4.004 -4.311
56 HA3 GLY 10 HA3 GLY 10 2.109 3.242 -3.845
57 H ILE 11 H ILE 11 2.155 5.386 -5.561
58 HA ILE 11 HA ILE 11 2.151 4.671 -8.292
59 HB ILE 11 HB ILE 11 3.805 6.814 -6.918
60 HG12 ILE 11 HG12 ILE 11 1.149 7.048 -8.362
61 HG13 ILE 11 HG13 ILE 11 1.351 7.075 -6.615
62 HG21 ILE 11 HG21 ILE 11 3.121 6.464 -9.846
63 HG22 ILE 11 HG22 ILE 11 4.711 6.263 -9.115
64 HG23 ILE 11 HG23 ILE 11 3.955 7.860 -9.153
65 HD11 ILE 11 HD11 ILE 11 1.071 9.327 -7.497
66 HD12 ILE 11 HD12 ILE 11 2.453 9.093 -8.563
67 HD13 ILE 11 HD13 ILE 11 2.686 9.124 -6.818
68 H GLY 12 H GLY 12 3.420 3.302 -9.327
69 HA2 GLY 12 HA2 GLY 12 5.463 2.452 -10.093
70 HA3 GLY 12 HA3 GLY 12 6.261 3.186 -8.711
71 H TYR 13 H TYR 13 3.472 1.488 -7.904
72 HA TYR 13 HA TYR 13 5.091 -0.734 -6.928
73 HB2 TYR 13 HB2 TYR 13 3.917 0.390 -5.175
74 HB3 TYR 13 HB3 TYR 13 2.402 0.330 -6.048
75 HD1 TYR 13 HD1 TYR 13 4.985 -2.141 -4.916
76 HD2 TYR 13 HD2 TYR 13 0.886 -1.105 -5.150
77 HE1 TYR 13 HE1 TYR 13 4.399 -4.183 -3.669
78 HE2 TYR 13 HE2 TYR 13 0.291 -3.135 -3.916
79 HH TYR 13 HH TYR 13 1.103 -5.183 -3.321
80 H SER 14 H SER 14 5.103 -2.470 -8.120
81 HA SER 14 HA SER 14 2.943 -2.991 -9.989
82 HB2 SER 14 HB2 SER 14 4.718 -4.531 -10.959
83 HB3 SER 14 HB3 SER 14 5.055 -2.801 -11.025
84 HG SER 14 HG SER 14 6.855 -3.753 -10.280
85 H GLY 15 H GLY 15 3.419 -3.811 -6.955
86 HA2 GLY 15 HA2 GLY 15 3.249 -6.712 -7.132
87 HA3 GLY 15 HA3 GLY 15 3.225 -5.773 -5.647
88 HA PRO 16 HA PRO 16 -1.049 -7.519 -6.247
89 HB2 PRO 16 HB2 PRO 16 -1.276 -7.796 -3.497
90 HB3 PRO 16 HB3 PRO 16 -0.730 -9.077 -4.589
91 HG2 PRO 16 HG2 PRO 16 0.932 -7.086 -3.050
92 HG3 PRO 16 HG3 PRO 16 1.147 -8.862 -3.144
93 HD2 PRO 16 HD2 PRO 16 2.641 -7.288 -4.542
94 HD3 PRO 16 HD3 PRO 16 1.901 -8.683 -5.356
95 H THR 17 H THR 17 -2.443 -5.897 -6.585
96 HA THR 17 HA THR 17 -2.508 -3.633 -4.719
97 HB THR 17 HB THR 17 -3.817 -2.536 -6.606
98 HG1 THR 17 HG1 THR 17 -3.211 -3.603 -8.701
99 HG21 THR 17 HG21 THR 17 -0.977 -3.408 -7.200
100 HG22 THR 17 HG22 THR 17 -1.445 -2.025 -6.214
101 HG23 THR 17 HG23 THR 17 -1.801 -2.034 -7.940
102 H VAL 18 H VAL 18 -4.037 -6.458 -5.313
103 HA VAL 18 HA VAL 18 -6.718 -5.484 -4.707
104 HB VAL 18 HB VAL 18 -5.735 -8.247 -5.484
105 HG11 VAL 18 HG11 VAL 18 -8.088 -8.786 -5.818
106 HG12 VAL 18 HG12 VAL 18 -8.529 -7.192 -5.203
107 HG13 VAL 18 HG13 VAL 18 -7.739 -8.357 -4.142
108 HG21 VAL 18 HG21 VAL 18 -7.166 -6.148 -7.094
109 HG22 VAL 18 HG22 VAL 18 -6.815 -7.789 -7.633
110 HG23 VAL 18 HG23 VAL 18 -5.493 -6.665 -7.303
111 H CYS 19 H CYS 19 -7.267 -5.420 -2.628
112 HA CYS 19 HA CYS 19 -5.677 -6.732 -0.625
113 HB2 CYS 19 HB2 CYS 19 -8.121 -4.968 -0.448
114 HB3 CYS 19 HB3 CYS 19 -7.360 -5.718 0.953
115 H ALA 20 H ALA 20 -7.098 -7.652 1.313
116 HA ALA 20 HA ALA 20 -8.463 -9.981 0.227
117 HB1 ALA 20 HB1 ALA 20 -8.074 -10.921 2.464
118 HB2 ALA 20 HB2 ALA 20 -7.375 -9.388 2.984
119 HB3 ALA 20 HB3 ALA 20 -6.572 -10.348 1.741
120 H SER 21 H SER 21 -10.189 -10.752 2.049
121 HA SER 21 HA SER 21 -12.281 -8.840 1.966
122 HB2 SER 21 HB2 SER 21 -12.157 -11.421 3.551
123 HB3 SER 21 HB3 SER 21 -13.597 -10.572 2.991
124 HG SER 21 HG SER 21 -12.243 -12.442 1.744
125 H GLY 22 H GLY 22 -12.606 -7.221 3.403
126 HA2 GLY 22 HA2 GLY 22 -12.945 -6.369 5.547
127 HA3 GLY 22 HA3 GLY 22 -11.948 -7.662 6.197
128 H THR 23 H THR 23 -10.748 -6.007 3.449
129 HA THR 23 HA THR 23 -9.166 -4.198 5.064
130 HB THR 23 HB THR 23 -7.099 -4.831 3.746
131 HG1 THR 23 HG1 THR 23 -8.839 -6.657 2.731
132 HG21 THR 23 HG21 THR 23 -7.285 -5.439 6.092
133 HG22 THR 23 HG22 THR 23 -6.496 -6.736 5.194
134 HG23 THR 23 HG23 THR 23 -8.189 -6.893 5.664
135 H THR 24 H THR 24 -8.484 -2.392 3.961
136 HA THR 24 HA THR 24 -9.400 -2.155 1.200
137 HB THR 24 HB THR 24 -10.160 0.227 1.830
138 HG1 THR 24 HG1 THR 24 -9.307 -0.315 4.221
139 HG21 THR 24 HG21 THR 24 -12.411 -0.558 2.452
140 HG22 THR 24 HG22 THR 24 -11.749 -2.159 2.787
141 HG23 THR 24 HG23 THR 24 -11.721 -1.518 1.142
142 H CYS 25 H CYS 25 -8.186 -0.855 -0.111
143 HA CYS 25 HA CYS 25 -5.510 -0.397 0.744
144 HB2 CYS 25 HB2 CYS 25 -6.197 -1.088 -1.591
145 HB3 CYS 25 HB3 CYS 25 -6.837 0.549 -1.778
146 H GLN 26 H GLN 26 -4.925 1.307 1.947
147 HA GLN 26 HA GLN 26 -6.368 3.786 1.501
148 HB2 GLN 26 HB2 GLN 26 -4.885 2.771 3.898
149 HB3 GLN 26 HB3 GLN 26 -5.525 4.401 3.783
150 HG2 GLN 26 HG2 GLN 26 -7.794 3.291 3.435
151 HG3 GLN 26 HG3 GLN 26 -7.009 1.790 3.926
152 HE21 GLN 26 HE21 GLN 26 -8.177 1.542 5.810
153 HE22 GLN 26 HE22 GLN 26 -7.993 2.610 7.151
154 H VAL 27 H VAL 27 -5.247 5.377 0.605
155 HA VAL 27 HA VAL 27 -2.437 4.997 0.085
156 HB VAL 27 HB VAL 27 -4.317 7.245 -0.731
157 HG11 VAL 27 HG11 VAL 27 -1.498 6.690 -1.659
158 HG12 VAL 27 HG12 VAL 27 -2.002 8.041 -0.647
159 HG13 VAL 27 HG13 VAL 27 -2.569 7.928 -2.313
160 HG21 VAL 27 HG21 VAL 27 -4.866 5.097 -1.764
161 HG22 VAL 27 HG22 VAL 27 -3.204 4.940 -2.333
162 HG23 VAL 27 HG23 VAL 27 -4.228 6.228 -2.958
163 H LEU 28 H LEU 28 -1.077 5.458 1.638
164 HA LEU 28 HA LEU 28 -1.697 7.430 3.689
165 HB2 LEU 28 HB2 LEU 28 0.822 5.815 3.303
166 HB3 LEU 28 HB3 LEU 28 0.364 6.695 4.744
167 HG LEU 28 HG LEU 28 -0.859 4.154 3.677
168 HD11 LEU 28 HD11 LEU 28 -0.055 3.218 5.775
169 HD12 LEU 28 HD12 LEU 28 0.631 4.782 6.207
170 HD13 LEU 28 HD13 LEU 28 1.271 3.891 4.826
171 HD21 LEU 28 HD21 LEU 28 -2.251 4.158 5.657
172 HD22 LEU 28 HD22 LEU 28 -2.626 5.545 4.621
173 HD23 LEU 28 HD23 LEU 28 -1.661 5.760 6.092
174 H ASN 29 H ASN 29 0.560 6.837 1.096
175 HA ASN 29 HA ASN 29 1.233 9.645 0.910
176 HB2 ASN 29 HB2 ASN 29 3.256 7.355 1.039
177 HB3 ASN 29 HB3 ASN 29 3.647 9.011 0.586
178 HD21 ASN 29 HD21 ASN 29 2.960 6.843 3.170
179 HD22 ASN 29 HD22 ASN 29 3.294 7.904 4.470
180 HA PRO 30 HA PRO 30 0.515 8.671 -3.281
181 HB2 PRO 30 HB2 PRO 30 2.877 9.559 -4.551
182 HB3 PRO 30 HB3 PRO 30 1.335 10.390 -4.450
183 HG2 PRO 30 HG2 PRO 30 3.746 11.062 -3.135
184 HG3 PRO 30 HG3 PRO 30 2.170 11.830 -2.921
185 HD2 PRO 30 HD2 PRO 30 3.612 10.053 -1.162
186 HD3 PRO 30 HD3 PRO 30 2.138 10.969 -0.829
187 H TYR 31 H TYR 31 3.730 7.712 -2.268
188 HA TYR 31 HA TYR 31 3.664 5.680 -4.358
189 HB2 TYR 31 HB2 TYR 31 5.939 6.442 -2.510
190 HB3 TYR 31 HB3 TYR 31 6.038 5.325 -3.866
191 HD1 TYR 31 HD1 TYR 31 5.764 8.856 -2.894
192 HD2 TYR 31 HD2 TYR 31 6.082 6.148 -6.152
193 HE1 TYR 31 HE1 TYR 31 6.265 10.734 -4.391
194 HE2 TYR 31 HE2 TYR 31 6.590 8.012 -7.659
195 HH TYR 31 HH TYR 31 7.357 11.117 -6.495
196 H TYR 32 H TYR 32 3.475 6.094 -0.903
197 HA TYR 32 HA TYR 32 3.379 3.192 -0.647
198 HB2 TYR 32 HB2 TYR 32 5.023 4.416 0.792
199 HB3 TYR 32 HB3 TYR 32 3.657 5.158 1.623
200 HD1 TYR 32 HD1 TYR 32 2.381 3.913 3.207
201 HD2 TYR 32 HD2 TYR 32 5.412 2.009 0.941
202 HE1 TYR 32 HE1 TYR 32 2.224 1.955 4.684
203 HE2 TYR 32 HE2 TYR 32 5.289 0.038 2.385
204 HH TYR 32 HH TYR 32 4.605 -0.397 4.754
205 H SER 33 H SER 33 1.429 2.374 -0.725
206 HA SER 33 HA SER 33 -0.718 3.737 0.725
207 HB2 SER 33 HB2 SER 33 -0.985 1.970 -1.743
208 HB3 SER 33 HB3 SER 33 -2.281 2.849 -0.939
209 HG SER 33 HG SER 33 -1.258 3.829 -2.883
210 H GLN 34 H GLN 34 -1.808 2.360 2.160
211 HA GLN 34 HA GLN 34 -0.606 -0.312 2.387
212 HB2 GLN 34 HB2 GLN 34 0.261 1.426 4.000
213 HB3 GLN 34 HB3 GLN 34 -1.361 1.496 4.669
214 HG2 GLN 34 HG2 GLN 34 -1.229 -0.843 5.278
215 HG3 GLN 34 HG3 GLN 34 0.382 -0.949 4.574
216 HE21 GLN 34 HE21 GLN 34 1.418 -1.473 6.433
217 HE22 GLN 34 HE22 GLN 34 1.606 -0.382 7.752
218 H CYS 35 H CYS 35 -2.014 -1.921 2.849
219 HA CYS 35 HA CYS 35 -4.793 -1.249 2.541
220 HB2 CYS 35 HB2 CYS 35 -3.635 -3.302 1.472
221 HB3 CYS 35 HB3 CYS 35 -3.749 -4.009 3.066
222 H LEU 36 H LEU 36 -5.977 -0.727 4.133
223 HA LEU 36 HA LEU 36 -5.699 -2.033 6.711
224 HB2 LEU 36 HB2 LEU 36 -6.201 0.910 6.217
225 HB3 LEU 36 HB3 LEU 36 -6.114 0.122 7.776
226 HG LEU 36 HG LEU 36 -3.777 0.366 5.883
227 HD11 LEU 36 HD11 LEU 36 -4.498 2.562 6.595
228 HD12 LEU 36 HD12 LEU 36 -2.984 2.120 7.387
229 HD13 LEU 36 HD13 LEU 36 -4.506 2.032 8.276
230 HD21 LEU 36 HD21 LEU 36 -3.583 -1.488 7.450
231 HD22 LEU 36 HD22 LEU 36 -3.952 -0.414 8.797
232 HD23 LEU 36 HD23 LEU 36 -2.460 -0.199 7.880
233 H1 MAN 101 H1 MAN 101 0.930 -9.318 4.685
234 H2 MAN 101 H2 MAN 101 2.366 -7.480 3.697
235 H3 MAN 101 H3 MAN 101 1.881 -7.777 1.325
236 H4 MAN 101 H4 MAN 101 3.264 -10.453 1.683
237 H5 MAN 101 H5 MAN 101 0.320 -9.782 1.109
238 H61 MAN 101 H61 MAN 101 -0.047 -12.205 1.379
239 H62 MAN 101 H62 MAN 101 1.707 -12.491 1.469
240 HO2 MAN 101 HO2 MAN 101 3.298 -9.305 4.838
241 HO3 MAN 101 HO3 MAN 101 4.508 -8.656 2.027
242 HO4 MAN 101 HO4 MAN 101 3.577 -9.326 -0.268
243 HO6 MAN 101 HO6 MAN 101 1.580 -11.186 -0.670
Start of MODEL 8
1 H1 THR 1 H1 THR 1 -3.696 -12.031 -3.771
2 H2 THR 1 H2 THR 1 -2.746 -12.093 -2.379
3 H3 THR 1 H3 THR 1 -2.243 -11.153 -3.677
4 HA THR 1 HA THR 1 -4.199 -9.750 -3.340
5 HB THR 1 HB THR 1 -5.284 -10.080 -1.050
6 HG1 THR 1 HG1 THR 1 -5.269 -12.491 -0.607
7 HG21 THR 1 HG21 THR 1 -6.909 -11.692 -1.909
8 HG22 THR 1 HG22 THR 1 -5.778 -12.173 -3.170
9 HG23 THR 1 HG23 THR 1 -6.451 -10.541 -3.162
10 H ALA 2 H ALA 2 -4.023 -7.936 -1.974
11 HA ALA 2 HA ALA 2 -1.424 -7.601 -0.801
12 HB1 ALA 2 HB1 ALA 2 -3.776 -5.700 -0.984
13 HB2 ALA 2 HB2 ALA 2 -2.402 -5.776 -2.091
14 HB3 ALA 2 HB3 ALA 2 -2.158 -5.278 -0.419
15 H SER 3 H SER 3 -1.023 -7.304 1.349
16 HA SER 3 HA SER 3 -3.014 -8.567 3.045
17 HB2 SER 3 HB2 SER 3 -1.055 -8.965 4.550
18 HB3 SER 3 HB3 SER 3 -0.953 -9.738 2.967
19 H HIS 4 H HIS 4 -3.176 -7.884 5.276
20 HA HIS 4 HA HIS 4 -3.808 -5.127 5.452
21 HB2 HIS 4 HB2 HIS 4 -4.936 -7.100 6.643
22 HB3 HIS 4 HB3 HIS 4 -3.569 -7.093 7.739
23 HD1 HIS 4 HD1 HIS 4 -5.333 -6.604 9.612
24 HD2 HIS 4 HD2 HIS 4 -4.892 -3.620 6.802
25 HE1 HIS 4 HE1 HIS 4 -6.513 -4.622 10.575
26 HE2 HIS 4 HE2 HIS 4 -6.647 -3.093 8.564
27 H TYR 5 H TYR 5 -2.499 -3.521 5.966
28 HA TYR 5 HA TYR 5 -0.856 -2.294 6.753
29 HB2 TYR 5 HB2 TYR 5 -0.099 -4.716 8.375
30 HB3 TYR 5 HB3 TYR 5 0.957 -3.312 8.313
31 HD1 TYR 5 HD1 TYR 5 -2.487 -4.388 9.211
32 HD2 TYR 5 HD2 TYR 5 0.550 -1.453 9.688
33 HE1 TYR 5 HE1 TYR 5 -3.792 -3.337 11.008
34 HE2 TYR 5 HE2 TYR 5 -0.743 -0.397 11.485
35 HH TYR 5 HH TYR 5 -3.386 -1.921 12.948
36 H GLY 6 H GLY 6 -0.666 -4.451 4.519
37 HA2 GLY 6 HA2 GLY 6 2.162 -3.978 3.924
38 HA3 GLY 6 HA3 GLY 6 1.100 -5.126 3.100
39 H GLN 7 H GLN 7 2.614 -3.294 1.660
40 HA GLN 7 HA GLN 7 1.075 -0.995 0.972
41 HB2 GLN 7 HB2 GLN 7 3.549 -1.207 0.650
42 HB3 GLN 7 HB3 GLN 7 3.246 -2.403 -0.599
43 HG2 GLN 7 HG2 GLN 7 2.126 -0.716 -1.952
44 HG3 GLN 7 HG3 GLN 7 2.394 0.484 -0.686
45 HE21 GLN 7 HE21 GLN 7 3.696 1.827 -2.088
46 HE22 GLN 7 HE22 GLN 7 5.260 1.291 -2.502
47 H CYS 8 H CYS 8 -0.430 -0.778 -0.615
48 HA CYS 8 HA CYS 8 -1.221 -3.280 -1.981
49 HB2 CYS 8 HB2 CYS 8 -3.534 -2.449 -1.724
50 HB3 CYS 8 HB3 CYS 8 -2.714 -2.902 -0.224
51 H GLY 9 H GLY 9 -0.554 0.102 -2.499
52 HA2 GLY 9 HA2 GLY 9 -0.897 -0.158 -5.301
53 HA3 GLY 9 HA3 GLY 9 -2.351 0.519 -4.582
54 H GLY 10 H GLY 10 1.127 1.001 -4.414
55 HA2 GLY 10 HA2 GLY 10 0.577 3.887 -4.305
56 HA3 GLY 10 HA3 GLY 10 2.040 3.121 -3.698
57 H ILE 11 H ILE 11 2.086 5.267 -5.488
58 HA ILE 11 HA ILE 11 2.407 4.454 -8.163
59 HB ILE 11 HB ILE 11 3.719 6.795 -6.731
60 HG12 ILE 11 HG12 ILE 11 1.170 6.668 -8.376
61 HG13 ILE 11 HG13 ILE 11 1.257 6.843 -6.629
62 HG21 ILE 11 HG21 ILE 11 3.978 7.768 -8.994
63 HG22 ILE 11 HG22 ILE 11 3.356 6.265 -9.684
64 HG23 ILE 11 HG23 ILE 11 4.879 6.262 -8.804
65 HD11 ILE 11 HD11 ILE 11 2.270 8.834 -8.644
66 HD12 ILE 11 HD12 ILE 11 2.327 9.012 -6.887
67 HD13 ILE 11 HD13 ILE 11 0.774 8.963 -7.715
68 H GLY 12 H GLY 12 3.855 3.172 -8.981
69 HA2 GLY 12 HA2 GLY 12 6.151 2.714 -9.508
70 HA3 GLY 12 HA3 GLY 12 6.555 3.027 -7.824
71 H TYR 13 H TYR 13 4.013 1.606 -7.139
72 HA TYR 13 HA TYR 13 5.192 -1.027 -6.843
73 HB2 TYR 13 HB2 TYR 13 4.280 0.074 -4.887
74 HB3 TYR 13 HB3 TYR 13 2.755 0.340 -5.701
75 HD1 TYR 13 HD1 TYR 13 4.960 -2.355 -4.393
76 HD2 TYR 13 HD2 TYR 13 1.023 -1.173 -5.437
77 HE1 TYR 13 HE1 TYR 13 4.072 -4.386 -3.328
78 HE2 TYR 13 HE2 TYR 13 0.128 -3.197 -4.394
79 HH TYR 13 HH TYR 13 0.686 -5.230 -3.602
80 H SER 14 H SER 14 4.513 -2.777 -7.967
81 HA SER 14 HA SER 14 2.041 -2.547 -9.511
82 HB2 SER 14 HB2 SER 14 3.275 -3.752 -11.371
83 HB3 SER 14 HB3 SER 14 3.781 -2.089 -11.086
84 HG SER 14 HG SER 14 5.122 -4.460 -10.738
85 H GLY 15 H GLY 15 3.044 -3.945 -6.991
86 HA2 GLY 15 HA2 GLY 15 2.843 -6.777 -7.582
87 HA3 GLY 15 HA3 GLY 15 2.997 -6.019 -6.003
88 HA PRO 16 HA PRO 16 -1.274 -7.885 -6.071
89 HB2 PRO 16 HB2 PRO 16 -1.179 -7.843 -3.271
90 HB3 PRO 16 HB3 PRO 16 -0.833 -9.243 -4.289
91 HG2 PRO 16 HG2 PRO 16 1.055 -7.240 -3.106
92 HG3 PRO 16 HG3 PRO 16 1.241 -9.009 -3.213
93 HD2 PRO 16 HD2 PRO 16 2.556 -7.463 -4.855
94 HD3 PRO 16 HD3 PRO 16 1.717 -8.879 -5.510
95 H THR 17 H THR 17 -2.711 -6.301 -6.479
96 HA THR 17 HA THR 17 -2.721 -3.895 -4.824
97 HB THR 17 HB THR 17 -4.258 -3.085 -6.699
98 HG1 THR 17 HG1 THR 17 -4.792 -4.549 -8.060
99 HG21 THR 17 HG21 THR 17 -1.900 -2.387 -6.524
100 HG22 THR 17 HG22 THR 17 -2.363 -2.613 -8.212
101 HG23 THR 17 HG23 THR 17 -1.405 -3.842 -7.388
102 H VAL 18 H VAL 18 -4.557 -6.740 -5.550
103 HA VAL 18 HA VAL 18 -7.052 -5.642 -4.603
104 HB VAL 18 HB VAL 18 -6.341 -8.531 -5.218
105 HG11 VAL 18 HG11 VAL 18 -8.763 -8.875 -5.428
106 HG12 VAL 18 HG12 VAL 18 -9.038 -7.206 -4.930
107 HG13 VAL 18 HG13 VAL 18 -8.305 -8.350 -3.808
108 HG21 VAL 18 HG21 VAL 18 -7.659 -6.480 -7.007
109 HG22 VAL 18 HG22 VAL 18 -7.434 -8.187 -7.391
110 HG23 VAL 18 HG23 VAL 18 -6.035 -7.133 -7.201
111 H CYS 19 H CYS 19 -7.232 -5.313 -2.510
112 HA CYS 19 HA CYS 19 -5.657 -6.595 -0.544
113 HB2 CYS 19 HB2 CYS 19 -8.059 -4.815 -0.376
114 HB3 CYS 19 HB3 CYS 19 -7.353 -5.568 1.048
115 H ALA 20 H ALA 20 -6.314 -7.881 1.188
116 HA ALA 20 HA ALA 20 -7.855 -10.135 0.571
117 HB1 ALA 20 HB1 ALA 20 -6.033 -10.143 2.201
118 HB2 ALA 20 HB2 ALA 20 -7.534 -10.679 2.960
119 HB3 ALA 20 HB3 ALA 20 -6.943 -9.043 3.235
120 H SER 21 H SER 21 -9.818 -10.824 1.769
121 HA SER 21 HA SER 21 -11.862 -8.926 1.412
122 HB2 SER 21 HB2 SER 21 -11.956 -11.570 2.861
123 HB3 SER 21 HB3 SER 21 -13.321 -10.713 2.141
124 HG SER 21 HG SER 21 -11.746 -10.891 0.163
125 H GLY 22 H GLY 22 -12.249 -7.268 2.738
126 HA2 GLY 22 HA2 GLY 22 -13.177 -6.590 4.860
127 HA3 GLY 22 HA3 GLY 22 -12.086 -7.730 5.638
128 H THR 23 H THR 23 -10.283 -6.398 3.256
129 HA THR 23 HA THR 23 -9.462 -4.175 4.977
130 HB THR 23 HB THR 23 -7.082 -4.578 4.107
131 HG1 THR 23 HG1 THR 23 -8.413 -6.690 2.895
132 HG21 THR 23 HG21 THR 23 -8.368 -6.729 5.792
133 HG22 THR 23 HG22 THR 23 -7.729 -5.189 6.377
134 HG23 THR 23 HG23 THR 23 -6.640 -6.397 5.696
135 H THR 24 H THR 24 -8.565 -2.294 3.939
136 HA THR 24 HA THR 24 -9.369 -2.076 1.138
137 HB THR 24 HB THR 24 -10.009 0.325 1.772
138 HG1 THR 24 HG1 THR 24 -9.377 -0.677 4.263
139 HG21 THR 24 HG21 THR 24 -11.639 -1.380 1.126
140 HG22 THR 24 HG22 THR 24 -12.275 -0.355 2.408
141 HG23 THR 24 HG23 THR 24 -11.682 -1.977 2.785
142 H CYS 25 H CYS 25 -8.046 -0.912 -0.154
143 HA CYS 25 HA CYS 25 -5.401 -0.402 0.801
144 HB2 CYS 25 HB2 CYS 25 -5.946 -1.251 -1.516
145 HB3 CYS 25 HB3 CYS 25 -6.593 0.354 -1.871
146 H GLN 26 H GLN 26 -4.843 1.455 1.860
147 HA GLN 26 HA GLN 26 -6.355 3.814 1.171
148 HB2 GLN 26 HB2 GLN 26 -5.273 2.889 3.813
149 HB3 GLN 26 HB3 GLN 26 -5.924 4.497 3.523
150 HG2 GLN 26 HG2 GLN 26 -8.079 3.540 2.916
151 HG3 GLN 26 HG3 GLN 26 -7.429 1.921 3.113
152 HE21 GLN 26 HE21 GLN 26 -8.948 1.366 4.609
153 HE22 GLN 26 HE22 GLN 26 -8.949 2.011 6.205
154 H VAL 27 H VAL 27 -5.254 5.409 0.422
155 HA VAL 27 HA VAL 27 -2.429 5.234 0.054
156 HB VAL 27 HB VAL 27 -4.384 7.440 -0.661
157 HG11 VAL 27 HG11 VAL 27 -2.658 8.210 -2.222
158 HG12 VAL 27 HG12 VAL 27 -1.541 7.010 -1.569
159 HG13 VAL 27 HG13 VAL 27 -2.130 8.319 -0.544
160 HG21 VAL 27 HG21 VAL 27 -4.245 6.514 -2.925
161 HG22 VAL 27 HG22 VAL 27 -4.897 5.359 -1.763
162 HG23 VAL 27 HG23 VAL 27 -3.229 5.207 -2.314
163 H LEU 28 H LEU 28 -1.010 5.844 1.484
164 HA LEU 28 HA LEU 28 -1.697 7.833 3.534
165 HB2 LEU 28 HB2 LEU 28 0.668 5.961 3.326
166 HB3 LEU 28 HB3 LEU 28 0.306 7.004 4.687
167 HG LEU 28 HG LEU 28 -1.377 4.659 3.789
168 HD11 LEU 28 HD11 LEU 28 0.470 5.001 6.131
169 HD12 LEU 28 HD12 LEU 28 0.693 3.931 4.739
170 HD13 LEU 28 HD13 LEU 28 -0.618 3.637 5.879
171 HD21 LEU 28 HD21 LEU 28 -2.543 4.998 5.892
172 HD22 LEU 28 HD22 LEU 28 -2.721 6.392 4.813
173 HD23 LEU 28 HD23 LEU 28 -1.581 6.450 6.174
174 H ASN 29 H ASN 29 0.727 6.969 1.149
175 HA ASN 29 HA ASN 29 1.457 9.782 0.786
176 HB2 ASN 29 HB2 ASN 29 3.351 7.380 0.722
177 HB3 ASN 29 HB3 ASN 29 3.782 9.011 0.258
178 HD21 ASN 29 HD21 ASN 29 5.043 7.348 2.185
179 HD22 ASN 29 HD22 ASN 29 4.937 8.129 3.720
180 HA PRO 30 HA PRO 30 0.483 8.708 -3.382
181 HB2 PRO 30 HB2 PRO 30 2.901 9.410 -4.699
182 HB3 PRO 30 HB3 PRO 30 1.382 10.292 -4.697
183 HG2 PRO 30 HG2 PRO 30 3.768 11.050 -3.426
184 HG3 PRO 30 HG3 PRO 30 2.183 11.802 -3.205
185 HD2 PRO 30 HD2 PRO 30 3.697 10.058 -1.439
186 HD3 PRO 30 HD3 PRO 30 2.272 11.040 -1.061
187 H TYR 31 H TYR 31 3.734 7.791 -2.434
188 HA TYR 31 HA TYR 31 3.683 5.595 -4.343
189 HB2 TYR 31 HB2 TYR 31 5.838 6.210 -2.325
190 HB3 TYR 31 HB3 TYR 31 5.974 5.250 -3.788
191 HD1 TYR 31 HD1 TYR 31 5.914 6.415 -6.016
192 HD2 TYR 31 HD2 TYR 31 6.135 8.540 -2.347
193 HE1 TYR 31 HE1 TYR 31 6.686 8.403 -7.220
194 HE2 TYR 31 HE2 TYR 31 6.896 10.536 -3.536
195 HH TYR 31 HH TYR 31 6.644 10.971 -6.773
196 H TYR 32 H TYR 32 3.342 6.235 -0.910
197 HA TYR 32 HA TYR 32 3.286 3.357 -0.471
198 HB2 TYR 32 HB2 TYR 32 4.848 4.617 0.970
199 HB3 TYR 32 HB3 TYR 32 3.486 5.511 1.639
200 HD1 TYR 32 HD1 TYR 32 4.542 1.983 1.069
201 HD2 TYR 32 HD2 TYR 32 2.610 4.755 3.662
202 HE1 TYR 32 HE1 TYR 32 4.260 0.215 2.748
203 HE2 TYR 32 HE2 TYR 32 2.331 2.992 5.333
204 HH TYR 32 HH TYR 32 2.292 0.653 5.524
205 H SER 33 H SER 33 1.413 2.476 -0.550
206 HA SER 33 HA SER 33 -0.811 3.806 0.773
207 HB2 SER 33 HB2 SER 33 -0.972 2.160 -1.795
208 HB3 SER 33 HB3 SER 33 -2.295 3.009 -1.004
209 HG SER 33 HG SER 33 -0.596 4.890 -1.321
210 H GLN 34 H GLN 34 -1.667 2.500 2.300
211 HA GLN 34 HA GLN 34 -0.603 -0.232 2.427
212 HB2 GLN 34 HB2 GLN 34 0.468 1.076 4.117
213 HB3 GLN 34 HB3 GLN 34 -1.046 1.826 4.588
214 HG2 GLN 34 HG2 GLN 34 -1.812 -0.265 5.541
215 HG3 GLN 34 HG3 GLN 34 -0.351 -1.072 4.973
216 HE21 GLN 34 HE21 GLN 34 1.508 -0.915 6.153
217 HE22 GLN 34 HE22 GLN 34 1.608 -0.079 7.647
218 H CYS 35 H CYS 35 -2.009 -1.826 2.976
219 HA CYS 35 HA CYS 35 -4.787 -1.135 2.652
220 HB2 CYS 35 HB2 CYS 35 -3.632 -3.176 1.584
221 HB3 CYS 35 HB3 CYS 35 -3.734 -3.899 3.186
222 H LEU 36 H LEU 36 -6.132 -0.802 4.232
223 HA LEU 36 HA LEU 36 -5.471 -1.726 6.912
224 HB2 LEU 36 HB2 LEU 36 -6.603 0.941 6.080
225 HB3 LEU 36 HB3 LEU 36 -6.479 0.386 7.737
226 HG LEU 36 HG LEU 36 -4.134 0.850 5.893
227 HD11 LEU 36 HD11 LEU 36 -3.672 2.792 7.310
228 HD12 LEU 36 HD12 LEU 36 -5.192 2.519 8.169
229 HD13 LEU 36 HD13 LEU 36 -5.207 2.941 6.458
230 HD21 LEU 36 HD21 LEU 36 -2.789 0.596 7.922
231 HD22 LEU 36 HD22 LEU 36 -3.689 -0.874 7.571
232 HD23 LEU 36 HD23 LEU 36 -4.241 0.214 8.846
233 H1 MAN 101 H1 MAN 101 1.378 -9.354 4.485
234 H2 MAN 101 H2 MAN 101 2.688 -7.267 4.002
235 H3 MAN 101 H3 MAN 101 2.054 -6.960 1.668
236 H4 MAN 101 H4 MAN 101 3.714 -9.471 1.154
237 H5 MAN 101 H5 MAN 101 0.666 -9.020 0.941
238 H61 MAN 101 H61 MAN 101 2.471 -11.405 0.402
239 H62 MAN 101 H62 MAN 101 1.343 -10.628 -0.737
240 HO2 MAN 101 HO2 MAN 101 3.722 -9.251 4.575
241 HO3 MAN 101 HO3 MAN 101 4.215 -6.676 0.832
242 HO4 MAN 101 HO4 MAN 101 3.742 -7.844 -0.495
243 HO6 MAN 101 HO6 MAN 101 0.483 -11.774 1.734
Start of MODEL 9
1 H1 THR 1 H1 THR 1 -3.531 -11.668 -3.804
2 H2 THR 1 H2 THR 1 -2.807 -11.760 -2.285
3 H3 THR 1 H3 THR 1 -2.078 -10.830 -3.489
4 HA THR 1 HA THR 1 -4.045 -9.370 -3.382
5 HB THR 1 HB THR 1 -5.439 -9.702 -1.308
6 HG1 THR 1 HG1 THR 1 -5.347 -11.737 -0.323
7 HG21 THR 1 HG21 THR 1 -6.870 -11.449 -2.288
8 HG22 THR 1 HG22 THR 1 -5.558 -11.926 -3.363
9 HG23 THR 1 HG23 THR 1 -6.301 -10.334 -3.529
10 H ALA 2 H ALA 2 -4.028 -7.615 -1.908
11 HA ALA 2 HA ALA 2 -1.509 -7.332 -0.577
12 HB1 ALA 2 HB1 ALA 2 -3.852 -5.431 -0.760
13 HB2 ALA 2 HB2 ALA 2 -2.460 -5.465 -1.841
14 HB3 ALA 2 HB3 ALA 2 -2.246 -5.042 -0.144
15 H SER 3 H SER 3 -1.181 -7.854 1.351
16 HA SER 3 HA SER 3 -3.189 -8.849 3.114
17 HB2 SER 3 HB2 SER 3 -1.185 -9.170 4.604
18 HB3 SER 3 HB3 SER 3 -1.062 -9.930 3.009
19 H HIS 4 H HIS 4 -3.200 -8.104 5.439
20 HA HIS 4 HA HIS 4 -3.967 -5.373 5.454
21 HB2 HIS 4 HB2 HIS 4 -4.959 -7.324 6.834
22 HB3 HIS 4 HB3 HIS 4 -3.578 -7.129 7.890
23 HD1 HIS 4 HD1 HIS 4 -5.730 -6.667 9.582
24 HD2 HIS 4 HD2 HIS 4 -4.780 -3.731 6.821
25 HE1 HIS 4 HE1 HIS 4 -6.925 -4.611 10.349
26 HE2 HIS 4 HE2 HIS 4 -6.759 -3.191 8.283
27 H TYR 5 H TYR 5 -2.777 -3.660 5.927
28 HA TYR 5 HA TYR 5 -1.206 -2.290 6.609
29 HB2 TYR 5 HB2 TYR 5 -0.024 -4.555 8.231
30 HB3 TYR 5 HB3 TYR 5 0.502 -2.883 8.303
31 HD1 TYR 5 HD1 TYR 5 -1.857 -5.319 9.484
32 HD2 TYR 5 HD2 TYR 5 -1.121 -1.148 9.153
33 HE1 TYR 5 HE1 TYR 5 -3.532 -4.894 11.213
34 HE2 TYR 5 HE2 TYR 5 -2.803 -0.714 10.891
35 HH TYR 5 HH TYR 5 -4.743 -1.802 11.812
36 H GLY 6 H GLY 6 -0.844 -4.556 4.474
37 HA2 GLY 6 HA2 GLY 6 1.995 -4.122 3.980
38 HA3 GLY 6 HA3 GLY 6 0.920 -5.179 3.064
39 H GLN 7 H GLN 7 2.606 -3.438 1.744
40 HA GLN 7 HA GLN 7 1.212 -1.038 1.052
41 HB2 GLN 7 HB2 GLN 7 3.679 -1.207 0.820
42 HB3 GLN 7 HB3 GLN 7 3.467 -2.469 -0.385
43 HG2 GLN 7 HG2 GLN 7 2.481 -0.945 -1.921
44 HG3 GLN 7 HG3 GLN 7 2.458 0.361 -0.746
45 HE21 GLN 7 HE21 GLN 7 3.809 1.738 -2.056
46 HE22 GLN 7 HE22 GLN 7 5.446 1.368 -2.307
47 H CYS 8 H CYS 8 -0.454 -0.940 -0.204
48 HA CYS 8 HA CYS 8 -1.190 -3.353 -1.673
49 HB2 CYS 8 HB2 CYS 8 -3.456 -2.375 -1.684
50 HB3 CYS 8 HB3 CYS 8 -2.782 -2.655 -0.077
51 H GLY 9 H GLY 9 -0.731 0.126 -2.228
52 HA2 GLY 9 HA2 GLY 9 -0.497 -0.318 -5.051
53 HA3 GLY 9 HA3 GLY 9 -2.097 0.251 -4.599
54 H GLY 10 H GLY 10 1.286 1.057 -4.231
55 HA2 GLY 10 HA2 GLY 10 0.461 3.879 -4.226
56 HA3 GLY 10 HA3 GLY 10 2.009 3.273 -3.629
57 H ILE 11 H ILE 11 2.071 5.282 -5.449
58 HA ILE 11 HA ILE 11 2.132 4.443 -8.136
59 HB ILE 11 HB ILE 11 3.675 6.707 -6.814
60 HG12 ILE 11 HG12 ILE 11 1.095 6.754 -8.410
61 HG13 ILE 11 HG13 ILE 11 1.203 6.882 -6.657
62 HG21 ILE 11 HG21 ILE 11 4.730 6.074 -8.929
63 HG22 ILE 11 HG22 ILE 11 3.929 7.638 -9.078
64 HG23 ILE 11 HG23 ILE 11 3.176 6.195 -9.754
65 HD11 ILE 11 HD11 ILE 11 2.426 8.984 -6.891
66 HD12 ILE 11 HD12 ILE 11 0.859 9.052 -7.700
67 HD13 ILE 11 HD13 ILE 11 2.332 8.841 -8.647
68 H GLY 12 H GLY 12 3.539 3.268 -9.253
69 HA2 GLY 12 HA2 GLY 12 5.668 2.511 -9.882
70 HA3 GLY 12 HA3 GLY 12 6.276 2.982 -8.303
71 H TYR 13 H TYR 13 3.813 1.622 -7.148
72 HA TYR 13 HA TYR 13 5.146 -0.885 -6.760
73 HB2 TYR 13 HB2 TYR 13 4.155 0.238 -4.833
74 HB3 TYR 13 HB3 TYR 13 2.573 0.198 -5.580
75 HD1 TYR 13 HD1 TYR 13 1.129 -1.552 -5.081
76 HD2 TYR 13 HD2 TYR 13 5.284 -2.070 -4.380
77 HE1 TYR 13 HE1 TYR 13 0.667 -3.686 -3.976
78 HE2 TYR 13 HE2 TYR 13 4.828 -4.218 -3.257
79 HH TYR 13 HH TYR 13 1.600 -5.600 -3.287
80 H SER 14 H SER 14 4.879 -2.536 -8.013
81 HA SER 14 HA SER 14 2.458 -2.732 -9.641
82 HB2 SER 14 HB2 SER 14 3.982 -4.254 -11.038
83 HB3 SER 14 HB3 SER 14 4.341 -2.527 -11.033
84 HG SER 14 HG SER 14 6.037 -2.857 -9.707
85 H GLY 15 H GLY 15 3.079 -3.705 -6.840
86 HA2 GLY 15 HA2 GLY 15 2.889 -6.589 -7.035
87 HA3 GLY 15 HA3 GLY 15 2.813 -5.666 -5.549
88 HA PRO 16 HA PRO 16 -1.452 -7.430 -6.541
89 HB2 PRO 16 HB2 PRO 16 -1.753 -8.000 -3.837
90 HB3 PRO 16 HB3 PRO 16 -1.221 -9.155 -5.065
91 HG2 PRO 16 HG2 PRO 16 0.478 -7.401 -3.287
92 HG3 PRO 16 HG3 PRO 16 0.644 -9.158 -3.582
93 HD2 PRO 16 HD2 PRO 16 2.201 -7.504 -4.794
94 HD3 PRO 16 HD3 PRO 16 1.385 -8.739 -5.781
95 H THR 17 H THR 17 -2.660 -5.585 -6.823
96 HA THR 17 HA THR 17 -2.719 -3.579 -4.759
97 HB THR 17 HB THR 17 -4.278 -2.414 -6.408
98 HG1 THR 17 HG1 THR 17 -3.407 -3.674 -8.556
99 HG21 THR 17 HG21 THR 17 -1.490 -3.145 -7.327
100 HG22 THR 17 HG22 THR 17 -1.895 -1.843 -6.211
101 HG23 THR 17 HG23 THR 17 -2.418 -1.755 -7.892
102 H VAL 18 H VAL 18 -4.625 -6.230 -5.797
103 HA VAL 18 HA VAL 18 -7.064 -5.298 -4.572
104 HB VAL 18 HB VAL 18 -6.338 -8.102 -5.492
105 HG11 VAL 18 HG11 VAL 18 -8.187 -8.094 -3.901
106 HG12 VAL 18 HG12 VAL 18 -8.754 -8.507 -5.519
107 HG13 VAL 18 HG13 VAL 18 -9.032 -6.889 -4.874
108 HG21 VAL 18 HG21 VAL 18 -6.246 -6.518 -7.339
109 HG22 VAL 18 HG22 VAL 18 -7.860 -5.933 -6.935
110 HG23 VAL 18 HG23 VAL 18 -7.640 -7.587 -7.509
111 H CYS 19 H CYS 19 -7.349 -5.306 -2.470
112 HA CYS 19 HA CYS 19 -5.559 -6.580 -0.664
113 HB2 CYS 19 HB2 CYS 19 -8.075 -4.994 -0.286
114 HB3 CYS 19 HB3 CYS 19 -7.226 -5.754 1.051
115 H ALA 20 H ALA 20 -6.439 -7.752 1.251
116 HA ALA 20 HA ALA 20 -7.760 -10.144 0.397
117 HB1 ALA 20 HB1 ALA 20 -7.325 -10.883 2.706
118 HB2 ALA 20 HB2 ALA 20 -6.796 -9.250 3.117
119 HB3 ALA 20 HB3 ALA 20 -5.874 -10.207 1.959
120 H SER 21 H SER 21 -9.431 -10.967 2.274
121 HA SER 21 HA SER 21 -11.740 -9.385 1.899
122 HB2 SER 21 HB2 SER 21 -11.303 -11.710 3.784
123 HB3 SER 21 HB3 SER 21 -12.835 -11.160 3.106
124 HG SER 21 HG SER 21 -12.075 -11.732 1.048
125 H GLY 22 H GLY 22 -12.264 -7.608 3.097
126 HA2 GLY 22 HA2 GLY 22 -12.889 -6.610 5.117
127 HA3 GLY 22 HA3 GLY 22 -11.872 -7.757 5.979
128 H THR 23 H THR 23 -10.536 -6.147 3.254
129 HA THR 23 HA THR 23 -9.302 -4.155 4.965
130 HB THR 23 HB THR 23 -7.074 -4.645 3.803
131 HG1 THR 23 HG1 THR 23 -8.619 -6.738 2.824
132 HG21 THR 23 HG21 THR 23 -6.451 -6.458 5.356
133 HG22 THR 23 HG22 THR 23 -8.156 -6.769 5.667
134 HG23 THR 23 HG23 THR 23 -7.438 -5.236 6.151
135 H THR 24 H THR 24 -8.584 -2.281 3.861
136 HA THR 24 HA THR 24 -9.459 -2.078 1.076
137 HB THR 24 HB THR 24 -10.034 0.347 1.675
138 HG1 THR 24 HG1 THR 24 -9.382 -0.638 4.162
139 HG21 THR 24 HG21 THR 24 -11.720 -1.891 2.792
140 HG22 THR 24 HG22 THR 24 -11.766 -1.248 1.144
141 HG23 THR 24 HG23 THR 24 -12.284 -0.249 2.494
142 H CYS 25 H CYS 25 -8.057 -1.069 -0.260
143 HA CYS 25 HA CYS 25 -5.426 -0.450 0.673
144 HB2 CYS 25 HB2 CYS 25 -5.843 -1.482 -1.544
145 HB3 CYS 25 HB3 CYS 25 -6.667 -0.011 -2.051
146 H GLN 26 H GLN 26 -4.972 1.444 1.701
147 HA GLN 26 HA GLN 26 -6.408 3.805 0.805
148 HB2 GLN 26 HB2 GLN 26 -5.394 3.033 3.528
149 HB3 GLN 26 HB3 GLN 26 -6.118 4.583 3.118
150 HG2 GLN 26 HG2 GLN 26 -8.204 3.447 2.519
151 HG3 GLN 26 HG3 GLN 26 -7.469 1.897 2.895
152 HE21 GLN 26 HE21 GLN 26 -9.035 1.440 4.406
153 HE22 GLN 26 HE22 GLN 26 -9.071 2.184 5.950
154 H VAL 27 H VAL 27 -5.197 5.383 0.072
155 HA VAL 27 HA VAL 27 -2.363 5.103 -0.167
156 HB VAL 27 HB VAL 27 -4.185 7.426 -0.871
157 HG11 VAL 27 HG11 VAL 27 -1.885 8.173 -0.647
158 HG12 VAL 27 HG12 VAL 27 -2.377 8.189 -2.342
159 HG13 VAL 27 HG13 VAL 27 -1.345 6.893 -1.732
160 HG21 VAL 27 HG21 VAL 27 -4.769 5.419 -2.111
161 HG22 VAL 27 HG22 VAL 27 -3.090 5.220 -2.612
162 HG23 VAL 27 HG23 VAL 27 -4.019 6.605 -3.181
163 H LEU 28 H LEU 28 -0.924 5.737 1.303
164 HA LEU 28 HA LEU 28 -1.750 7.643 3.387
165 HB2 LEU 28 HB2 LEU 28 0.594 5.749 3.271
166 HB3 LEU 28 HB3 LEU 28 0.269 6.844 4.595
167 HG LEU 28 HG LEU 28 -1.514 4.543 3.767
168 HD11 LEU 28 HD11 LEU 28 -0.738 3.538 5.871
169 HD12 LEU 28 HD12 LEU 28 0.422 4.865 6.048
170 HD13 LEU 28 HD13 LEU 28 0.537 3.762 4.678
171 HD21 LEU 28 HD21 LEU 28 -2.639 4.961 5.870
172 HD22 LEU 28 HD22 LEU 28 -2.759 6.371 4.807
173 HD23 LEU 28 HD23 LEU 28 -1.604 6.358 6.156
174 H ASN 29 H ASN 29 0.647 6.978 0.948
175 HA ASN 29 HA ASN 29 1.376 9.778 0.811
176 HB2 ASN 29 HB2 ASN 29 3.370 7.466 0.963
177 HB3 ASN 29 HB3 ASN 29 3.775 9.116 0.509
178 HD21 ASN 29 HD21 ASN 29 3.102 6.946 3.115
179 HD22 ASN 29 HD22 ASN 29 3.494 8.044 4.371
180 HA PRO 30 HA PRO 30 0.803 8.843 -3.419
181 HB2 PRO 30 HB2 PRO 30 3.264 9.532 -4.624
182 HB3 PRO 30 HB3 PRO 30 1.797 10.495 -4.568
183 HG2 PRO 30 HG2 PRO 30 4.239 10.920 -3.143
184 HG3 PRO 30 HG3 PRO 30 2.770 11.896 -3.090
185 HD2 PRO 30 HD2 PRO 30 3.842 10.120 -1.130
186 HD3 PRO 30 HD3 PRO 30 2.390 11.115 -0.984
187 H TYR 31 H TYR 31 3.923 7.664 -2.266
188 HA TYR 31 HA TYR 31 3.715 5.550 -4.275
189 HB2 TYR 31 HB2 TYR 31 6.030 6.131 -2.420
190 HB3 TYR 31 HB3 TYR 31 6.019 4.999 -3.764
191 HD1 TYR 31 HD1 TYR 31 5.664 5.947 -6.108
192 HD2 TYR 31 HD2 TYR 31 6.627 8.366 -2.754
193 HE1 TYR 31 HE1 TYR 31 6.407 7.728 -7.619
194 HE2 TYR 31 HE2 TYR 31 7.370 10.155 -4.246
195 HH TYR 31 HH TYR 31 6.655 10.220 -7.522
196 H TYR 32 H TYR 32 3.464 6.114 -0.863
197 HA TYR 32 HA TYR 32 3.313 3.229 -0.469
198 HB2 TYR 32 HB2 TYR 32 4.871 4.503 0.964
199 HB3 TYR 32 HB3 TYR 32 3.497 5.364 1.647
200 HD1 TYR 32 HD1 TYR 32 2.333 4.447 3.471
201 HD2 TYR 32 HD2 TYR 32 4.954 1.975 1.227
202 HE1 TYR 32 HE1 TYR 32 2.096 2.688 5.160
203 HE2 TYR 32 HE2 TYR 32 4.736 0.204 2.894
204 HH TYR 32 HH TYR 32 2.372 0.306 5.404
205 H SER 33 H SER 33 1.393 2.426 -0.638
206 HA SER 33 HA SER 33 -0.806 3.779 0.722
207 HB2 SER 33 HB2 SER 33 -1.020 1.964 -1.722
208 HB3 SER 33 HB3 SER 33 -2.326 2.835 -0.927
209 HG SER 33 HG SER 33 -1.314 3.790 -2.881
210 H GLN 34 H GLN 34 -1.867 2.466 2.148
211 HA GLN 34 HA GLN 34 -0.663 -0.191 2.462
212 HB2 GLN 34 HB2 GLN 34 0.152 1.484 4.103
213 HB3 GLN 34 HB3 GLN 34 -1.499 1.715 4.641
214 HG2 GLN 34 HG2 GLN 34 -1.610 -0.574 5.377
215 HG3 GLN 34 HG3 GLN 34 0.024 -0.868 4.778
216 HE21 GLN 34 HE21 GLN 34 -1.888 0.537 7.250
217 HE22 GLN 34 HE22 GLN 34 -0.594 0.955 8.308
218 H CYS 35 H CYS 35 -2.050 -1.798 3.005
219 HA CYS 35 HA CYS 35 -4.823 -1.158 2.564
220 HB2 CYS 35 HB2 CYS 35 -3.664 -3.177 1.530
221 HB3 CYS 35 HB3 CYS 35 -3.698 -3.884 3.142
222 H LEU 36 H LEU 36 -6.146 -0.725 4.107
223 HA LEU 36 HA LEU 36 -5.597 -1.659 6.816
224 HB2 LEU 36 HB2 LEU 36 -6.911 0.883 5.864
225 HB3 LEU 36 HB3 LEU 36 -6.934 0.341 7.525
226 HG LEU 36 HG LEU 36 -4.428 1.018 5.981
227 HD11 LEU 36 HD11 LEU 36 -4.359 3.022 7.392
228 HD12 LEU 36 HD12 LEU 36 -5.917 2.579 8.092
229 HD13 LEU 36 HD13 LEU 36 -5.807 3.001 6.384
230 HD21 LEU 36 HD21 LEU 36 -3.399 0.963 8.228
231 HD22 LEU 36 HD22 LEU 36 -4.004 -0.606 7.709
232 HD23 LEU 36 HD23 LEU 36 -4.918 0.349 8.878
233 H1 MAN 101 H1 MAN 101 1.343 -9.418 4.334
234 H2 MAN 101 H2 MAN 101 2.271 -7.045 3.548
235 H3 MAN 101 H3 MAN 101 3.296 -6.909 1.462
236 H4 MAN 101 H4 MAN 101 2.067 -8.122 -0.317
237 H5 MAN 101 H5 MAN 101 0.082 -9.647 0.750
238 H61 MAN 101 H61 MAN 101 2.961 -10.425 0.227
239 H62 MAN 101 H62 MAN 101 1.614 -10.490 -0.925
240 HO2 MAN 101 HO2 MAN 101 4.335 -7.987 3.806
241 HO3 MAN 101 HO3 MAN 101 4.704 -8.603 1.915
242 HO4 MAN 101 HO4 MAN 101 0.491 -7.140 1.831
243 HO6 MAN 101 HO6 MAN 101 2.298 -12.271 1.098
Start of MODEL 10
1 H1 THR 1 H1 THR 1 -2.485 -11.246 -3.744
2 H2 THR 1 H2 THR 1 -3.912 -12.148 -3.500
3 H3 THR 1 H3 THR 1 -2.831 -11.888 -2.233
4 HA THR 1 HA THR 1 -4.349 -9.757 -3.493
5 HB THR 1 HB THR 1 -5.387 -9.752 -1.156
6 HG1 THR 1 HG1 THR 1 -5.257 -12.000 -0.217
7 HG21 THR 1 HG21 THR 1 -5.904 -12.190 -2.885
8 HG22 THR 1 HG22 THR 1 -6.612 -10.594 -3.135
9 HG23 THR 1 HG23 THR 1 -7.009 -11.516 -1.687
10 H ALA 2 H ALA 2 -4.248 -7.874 -1.865
11 HA ALA 2 HA ALA 2 -1.508 -7.501 -0.963
12 HB1 ALA 2 HB1 ALA 2 -2.547 -5.711 -2.289
13 HB2 ALA 2 HB2 ALA 2 -2.188 -5.154 -0.650
14 HB3 ALA 2 HB3 ALA 2 -3.839 -5.564 -1.095
15 H SER 3 H SER 3 -0.983 -7.588 1.119
16 HA SER 3 HA SER 3 -2.987 -8.467 2.938
17 HB2 SER 3 HB2 SER 3 -0.903 -8.615 4.482
18 HB3 SER 3 HB3 SER 3 -1.125 -9.784 3.186
19 H HIS 4 H HIS 4 -3.117 -7.777 5.066
20 HA HIS 4 HA HIS 4 -3.728 -5.055 5.359
21 HB2 HIS 4 HB2 HIS 4 -4.689 -7.096 6.573
22 HB3 HIS 4 HB3 HIS 4 -3.250 -7.053 7.568
23 HD1 HIS 4 HD1 HIS 4 -4.464 -6.497 9.736
24 HD2 HIS 4 HD2 HIS 4 -5.253 -3.834 6.676
25 HE1 HIS 4 HE1 HIS 4 -5.811 -4.676 10.784
26 HE2 HIS 4 HE2 HIS 4 -6.601 -3.351 8.809
27 H TYR 5 H TYR 5 -2.447 -3.428 5.860
28 HA TYR 5 HA TYR 5 -0.842 -2.151 6.595
29 HB2 TYR 5 HB2 TYR 5 0.027 -4.530 8.218
30 HB3 TYR 5 HB3 TYR 5 0.986 -3.052 8.192
31 HD1 TYR 5 HD1 TYR 5 -2.123 -4.594 9.351
32 HD2 TYR 5 HD2 TYR 5 0.107 -0.983 9.143
33 HE1 TYR 5 HE1 TYR 5 -3.588 -3.586 11.045
34 HE2 TYR 5 HE2 TYR 5 -1.354 0.026 10.836
35 HH TYR 5 HH TYR 5 -3.594 -0.256 11.671
36 H GLY 6 H GLY 6 -0.472 -4.389 4.392
37 HA2 GLY 6 HA2 GLY 6 2.325 -3.779 3.835
38 HA3 GLY 6 HA3 GLY 6 1.313 -4.941 2.972
39 H GLN 7 H GLN 7 2.848 -3.083 1.613
40 HA GLN 7 HA GLN 7 1.344 -0.797 0.864
41 HB2 GLN 7 HB2 GLN 7 3.816 -1.046 0.448
42 HB3 GLN 7 HB3 GLN 7 3.431 -2.257 -0.773
43 HG2 GLN 7 HG2 GLN 7 2.267 -0.617 -2.100
44 HG3 GLN 7 HG3 GLN 7 2.539 0.627 -0.891
45 HE21 GLN 7 HE21 GLN 7 3.748 1.978 -2.301
46 HE22 GLN 7 HE22 GLN 7 5.282 1.525 -2.854
47 H CYS 8 H CYS 8 -0.450 -0.767 -0.265
48 HA CYS 8 HA CYS 8 -1.211 -3.214 -1.687
49 HB2 CYS 8 HB2 CYS 8 -3.495 -2.296 -1.590
50 HB3 CYS 8 HB3 CYS 8 -2.732 -2.619 -0.029
51 H GLY 9 H GLY 9 -0.639 0.183 -2.319
52 HA2 GLY 9 HA2 GLY 9 -0.726 -0.260 -5.135
53 HA3 GLY 9 HA3 GLY 9 -2.228 0.448 -4.555
54 H GLY 10 H GLY 10 1.229 0.913 -4.209
55 HA2 GLY 10 HA2 GLY 10 0.703 3.801 -4.213
56 HA3 GLY 10 HA3 GLY 10 2.137 3.043 -3.518
57 H ILE 11 H ILE 11 2.316 5.099 -5.385
58 HA ILE 11 HA ILE 11 2.610 4.254 -8.036
59 HB ILE 11 HB ILE 11 4.215 6.398 -6.602
60 HG12 ILE 11 HG12 ILE 11 1.660 6.670 -8.208
61 HG13 ILE 11 HG13 ILE 11 1.747 6.692 -6.452
62 HG21 ILE 11 HG21 ILE 11 4.522 7.371 -8.851
63 HG22 ILE 11 HG22 ILE 11 3.676 5.991 -9.557
64 HG23 ILE 11 HG23 ILE 11 5.219 5.754 -8.741
65 HD11 ILE 11 HD11 ILE 11 3.040 8.670 -8.307
66 HD12 ILE 11 HD12 ILE 11 3.114 8.705 -6.544
67 HD13 ILE 11 HD13 ILE 11 1.571 8.935 -7.366
68 H GLY 12 H GLY 12 4.025 2.878 -8.922
69 HA2 GLY 12 HA2 GLY 12 6.249 2.146 -9.334
70 HA3 GLY 12 HA3 GLY 12 6.661 2.589 -7.687
71 H TYR 13 H TYR 13 3.915 1.218 -7.072
72 HA TYR 13 HA TYR 13 5.124 -1.361 -6.521
73 HB2 TYR 13 HB2 TYR 13 3.953 -0.267 -4.696
74 HB3 TYR 13 HB3 TYR 13 2.506 -0.107 -5.670
75 HD1 TYR 13 HD1 TYR 13 0.835 -1.698 -5.481
76 HD2 TYR 13 HD2 TYR 13 4.753 -2.700 -4.175
77 HE1 TYR 13 HE1 TYR 13 -0.024 -3.788 -4.538
78 HE2 TYR 13 HE2 TYR 13 3.898 -4.803 -3.222
79 HH TYR 13 HH TYR 13 0.574 -5.796 -3.790
80 H SER 14 H SER 14 4.984 -2.887 -7.994
81 HA SER 14 HA SER 14 2.822 -2.843 -9.929
82 HB2 SER 14 HB2 SER 14 4.422 -4.501 -11.053
83 HB3 SER 14 HB3 SER 14 4.947 -2.821 -10.932
84 HG SER 14 HG SER 14 6.617 -3.596 -9.971
85 H GLY 15 H GLY 15 3.073 -4.074 -7.028
86 HA2 GLY 15 HA2 GLY 15 2.631 -6.887 -7.545
87 HA3 GLY 15 HA3 GLY 15 2.641 -6.122 -5.963
88 HA PRO 16 HA PRO 16 -1.731 -7.450 -6.951
89 HB2 PRO 16 HB2 PRO 16 -2.016 -8.268 -4.316
90 HB3 PRO 16 HB3 PRO 16 -1.555 -9.333 -5.650
91 HG2 PRO 16 HG2 PRO 16 0.242 -7.842 -3.736
92 HG3 PRO 16 HG3 PRO 16 0.317 -9.566 -4.202
93 HD2 PRO 16 HD2 PRO 16 1.938 -7.849 -5.252
94 HD3 PRO 16 HD3 PRO 16 1.102 -8.988 -6.331
95 H THR 17 H THR 17 -3.084 -5.759 -6.844
96 HA THR 17 HA THR 17 -2.812 -3.816 -4.681
97 HB THR 17 HB THR 17 -4.254 -2.383 -6.182
98 HG1 THR 17 HG1 THR 17 -3.595 -4.324 -8.163
99 HG21 THR 17 HG21 THR 17 -1.811 -2.132 -6.112
100 HG22 THR 17 HG22 THR 17 -2.433 -1.833 -7.731
101 HG23 THR 17 HG23 THR 17 -1.646 -3.372 -7.357
102 H VAL 18 H VAL 18 -4.852 -6.320 -5.777
103 HA VAL 18 HA VAL 18 -7.240 -5.352 -4.514
104 HB VAL 18 HB VAL 18 -6.547 -8.117 -5.592
105 HG11 VAL 18 HG11 VAL 18 -8.322 -8.252 -3.916
106 HG12 VAL 18 HG12 VAL 18 -8.946 -8.579 -5.532
107 HG13 VAL 18 HG13 VAL 18 -9.231 -7.010 -4.778
108 HG21 VAL 18 HG21 VAL 18 -7.951 -7.499 -7.506
109 HG22 VAL 18 HG22 VAL 18 -6.584 -6.399 -7.336
110 HG23 VAL 18 HG23 VAL 18 -8.189 -5.898 -6.813
111 H CYS 19 H CYS 19 -7.412 -5.322 -2.405
112 HA CYS 19 HA CYS 19 -5.621 -6.656 -0.641
113 HB2 CYS 19 HB2 CYS 19 -8.077 -4.991 -0.222
114 HB3 CYS 19 HB3 CYS 19 -7.218 -5.760 1.107
115 H ALA 20 H ALA 20 -6.463 -7.861 1.277
116 HA ALA 20 HA ALA 20 -7.992 -10.126 0.433
117 HB1 ALA 20 HB1 ALA 20 -6.063 -10.383 1.916
118 HB2 ALA 20 HB2 ALA 20 -7.536 -10.935 2.719
119 HB3 ALA 20 HB3 ALA 20 -6.848 -9.359 3.118
120 H SER 21 H SER 21 -9.757 -10.892 1.969
121 HA SER 21 HA SER 21 -11.936 -9.166 1.900
122 HB2 SER 21 HB2 SER 21 -11.554 -11.570 3.683
123 HB3 SER 21 HB3 SER 21 -13.092 -10.884 3.146
124 HG SER 21 HG SER 21 -11.930 -11.251 0.961
125 H GLY 22 H GLY 22 -12.371 -7.440 3.076
126 HA2 GLY 22 HA2 GLY 22 -13.059 -6.545 5.171
127 HA3 GLY 22 HA3 GLY 22 -11.841 -7.539 5.952
128 H THR 23 H THR 23 -10.033 -6.636 3.637
129 HA THR 23 HA THR 23 -9.185 -4.232 5.068
130 HB THR 23 HB THR 23 -6.922 -4.690 4.083
131 HG1 THR 23 HG1 THR 23 -8.349 -6.638 2.751
132 HG21 THR 23 HG21 THR 23 -7.444 -5.432 6.342
133 HG22 THR 23 HG22 THR 23 -6.415 -6.610 5.534
134 HG23 THR 23 HG23 THR 23 -8.142 -6.922 5.709
135 H THR 24 H THR 24 -8.500 -2.365 3.931
136 HA THR 24 HA THR 24 -9.386 -2.250 1.129
137 HB THR 24 HB THR 24 -10.184 0.091 1.615
138 HG1 THR 24 HG1 THR 24 -9.354 -0.650 4.174
139 HG21 THR 24 HG21 THR 24 -12.328 -0.606 2.619
140 HG22 THR 24 HG22 THR 24 -11.598 -2.142 3.087
141 HG23 THR 24 HG23 THR 24 -11.790 -1.737 1.378
142 H CYS 25 H CYS 25 -8.181 -0.828 -0.226
143 HA CYS 25 HA CYS 25 -5.516 -0.372 0.763
144 HB2 CYS 25 HB2 CYS 25 -5.905 -1.270 -1.540
145 HB3 CYS 25 HB3 CYS 25 -6.659 0.263 -1.972
146 H GLN 26 H GLN 26 -5.028 1.405 1.876
147 HA GLN 26 HA GLN 26 -6.454 3.838 1.211
148 HB2 GLN 26 HB2 GLN 26 -5.254 2.898 3.820
149 HB3 GLN 26 HB3 GLN 26 -5.982 4.478 3.559
150 HG2 GLN 26 HG2 GLN 26 -8.124 3.407 3.027
151 HG3 GLN 26 HG3 GLN 26 -7.393 1.831 3.266
152 HE21 GLN 26 HE21 GLN 26 -8.867 1.288 4.837
153 HE22 GLN 26 HE22 GLN 26 -8.852 1.964 6.418
154 H VAL 27 H VAL 27 -5.235 5.175 0.098
155 HA VAL 27 HA VAL 27 -2.397 4.897 -0.065
156 HB VAL 27 HB VAL 27 -4.162 7.104 -1.176
157 HG11 VAL 27 HG11 VAL 27 -1.398 6.228 -1.959
158 HG12 VAL 27 HG12 VAL 27 -1.814 7.706 -1.107
159 HG13 VAL 27 HG13 VAL 27 -2.344 7.468 -2.779
160 HG21 VAL 27 HG21 VAL 27 -4.905 4.942 -2.031
161 HG22 VAL 27 HG22 VAL 27 -3.244 4.561 -2.513
162 HG23 VAL 27 HG23 VAL 27 -4.102 5.878 -3.299
163 H LEU 28 H LEU 28 -1.264 5.513 1.647
164 HA LEU 28 HA LEU 28 -2.165 7.611 3.425
165 HB2 LEU 28 HB2 LEU 28 0.428 6.076 3.410
166 HB3 LEU 28 HB3 LEU 28 -0.153 7.090 4.718
167 HG LEU 28 HG LEU 28 -1.301 4.447 3.814
168 HD11 LEU 28 HD11 LEU 28 0.041 5.287 6.369
169 HD12 LEU 28 HD12 LEU 28 0.762 4.323 5.091
170 HD13 LEU 28 HD13 LEU 28 -0.604 3.681 6.011
171 HD21 LEU 28 HD21 LEU 28 -2.216 6.294 6.000
172 HD22 LEU 28 HD22 LEU 28 -2.792 4.645 5.724
173 HD23 LEU 28 HD23 LEU 28 -3.110 5.907 4.519
174 H ASN 29 H ASN 29 0.524 7.001 1.250
175 HA ASN 29 HA ASN 29 1.024 9.877 0.992
176 HB2 ASN 29 HB2 ASN 29 3.150 7.665 1.041
177 HB3 ASN 29 HB3 ASN 29 3.420 9.342 0.609
178 HD21 ASN 29 HD21 ASN 29 1.542 8.217 3.346
179 HD22 ASN 29 HD22 ASN 29 2.583 8.845 4.570
180 HA PRO 30 HA PRO 30 0.426 8.878 -3.252
181 HB2 PRO 30 HB2 PRO 30 2.835 9.750 -4.454
182 HB3 PRO 30 HB3 PRO 30 1.286 10.570 -4.446
183 HG2 PRO 30 HG2 PRO 30 3.635 11.285 -3.034
184 HG3 PRO 30 HG3 PRO 30 2.057 12.079 -2.944
185 HD2 PRO 30 HD2 PRO 30 3.386 10.410 -1.021
186 HD3 PRO 30 HD3 PRO 30 1.868 11.274 -0.807
187 H TYR 31 H TYR 31 3.738 8.065 -2.248
188 HA TYR 31 HA TYR 31 3.670 5.876 -4.153
189 HB2 TYR 31 HB2 TYR 31 5.883 6.808 -2.311
190 HB3 TYR 31 HB3 TYR 31 6.003 5.410 -3.361
191 HD1 TYR 31 HD1 TYR 31 5.386 9.089 -3.461
192 HD2 TYR 31 HD2 TYR 31 6.755 5.645 -5.537
193 HE1 TYR 31 HE1 TYR 31 6.171 10.515 -5.289
194 HE2 TYR 31 HE2 TYR 31 7.538 7.061 -7.379
195 HH TYR 31 HH TYR 31 7.776 10.436 -7.094
196 H TYR 32 H TYR 32 3.256 6.447 -0.748
197 HA TYR 32 HA TYR 32 3.331 3.554 -0.377
198 HB2 TYR 32 HB2 TYR 32 4.796 4.834 1.153
199 HB3 TYR 32 HB3 TYR 32 3.358 5.624 1.812
200 HD1 TYR 32 HD1 TYR 32 2.272 4.656 3.657
201 HD2 TYR 32 HD2 TYR 32 4.769 2.230 1.204
202 HE1 TYR 32 HE1 TYR 32 1.953 2.766 5.194
203 HE2 TYR 32 HE2 TYR 32 4.456 0.343 2.741
204 HH TYR 32 HH TYR 32 2.138 0.529 5.323
205 H SER 33 H SER 33 1.500 2.607 -0.580
206 HA SER 33 HA SER 33 -0.839 3.818 0.710
207 HB2 SER 33 HB2 SER 33 -0.874 1.911 -1.663
208 HB3 SER 33 HB3 SER 33 -2.231 2.803 -0.980
209 HG SER 33 HG SER 33 -1.191 3.694 -2.929
210 H GLN 34 H GLN 34 -1.854 2.497 2.178
211 HA GLN 34 HA GLN 34 -0.618 -0.130 2.540
212 HB2 GLN 34 HB2 GLN 34 0.312 1.308 4.195
213 HB3 GLN 34 HB3 GLN 34 -1.253 2.000 4.569
214 HG2 GLN 34 HG2 GLN 34 -1.953 -0.039 5.628
215 HG3 GLN 34 HG3 GLN 34 -0.477 -0.848 5.097
216 HE21 GLN 34 HE21 GLN 34 1.366 -0.634 6.285
217 HE22 GLN 34 HE22 GLN 34 1.488 0.324 7.704
218 H CYS 35 H CYS 35 -1.980 -1.776 2.929
219 HA CYS 35 HA CYS 35 -4.773 -1.177 2.588
220 HB2 CYS 35 HB2 CYS 35 -3.621 -3.199 1.493
221 HB3 CYS 35 HB3 CYS 35 -3.623 -3.907 3.101
222 H LEU 36 H LEU 36 -6.131 -0.909 4.131
223 HA LEU 36 HA LEU 36 -5.534 -1.914 6.797
224 HB2 LEU 36 HB2 LEU 36 -6.687 0.773 6.045
225 HB3 LEU 36 HB3 LEU 36 -6.545 0.160 7.681
226 HG LEU 36 HG LEU 36 -4.201 0.698 5.853
227 HD11 LEU 36 HD11 LEU 36 -5.210 2.324 8.178
228 HD12 LEU 36 HD12 LEU 36 -5.371 2.755 6.478
229 HD13 LEU 36 HD13 LEU 36 -3.772 2.646 7.207
230 HD21 LEU 36 HD21 LEU 36 -4.347 0.008 8.786
231 HD22 LEU 36 HD22 LEU 36 -2.885 0.454 7.914
232 HD23 LEU 36 HD23 LEU 36 -3.738 -1.029 7.496
233 H1 MAN 101 H1 MAN 101 0.948 -10.254 2.452
234 H2 MAN 101 H2 MAN 101 2.135 -7.889 0.952
235 H3 MAN 101 H3 MAN 101 3.688 -9.462 0.053
236 H4 MAN 101 H4 MAN 101 2.111 -11.033 -1.278
237 H5 MAN 101 H5 MAN 101 -0.366 -10.536 -0.900
238 H61 MAN 101 H61 MAN 101 1.202 -11.924 1.321
239 H62 MAN 101 H62 MAN 101 0.484 -12.668 -0.114
240 HO2 MAN 101 HO2 MAN 101 2.673 -8.205 3.200
241 HO3 MAN 101 HO3 MAN 101 3.678 -10.708 1.897
242 HO4 MAN 101 HO4 MAN 101 0.938 -9.220 -2.128
243 HO6 MAN 101 HO6 MAN 101 -1.590 -12.099 0.620
Start of MODEL 11
1 H1 THR 1 H1 THR 1 -1.920 -11.000 -3.772
2 H2 THR 1 H2 THR 1 -3.191 -12.139 -3.749
3 H3 THR 1 H3 THR 1 -2.170 -11.979 -2.416
4 HA THR 1 HA THR 1 -3.978 -9.864 -3.373
5 HB THR 1 HB THR 1 -4.278 -11.469 -0.843
6 HG1 THR 1 HG1 THR 1 -5.662 -12.185 -3.240
7 HG21 THR 1 HG21 THR 1 -6.255 -10.112 -2.678
8 HG22 THR 1 HG22 THR 1 -5.647 -9.472 -1.153
9 HG23 THR 1 HG23 THR 1 -6.640 -10.927 -1.163
10 H ALA 2 H ALA 2 -4.027 -8.104 -1.871
11 HA ALA 2 HA ALA 2 -1.483 -7.672 -0.580
12 HB1 ALA 2 HB1 ALA 2 -2.285 -5.395 -0.220
13 HB2 ALA 2 HB2 ALA 2 -3.882 -5.834 -0.814
14 HB3 ALA 2 HB3 ALA 2 -2.498 -5.850 -1.906
15 H SER 3 H SER 3 -1.194 -7.439 1.581
16 HA SER 3 HA SER 3 -3.254 -8.712 3.190
17 HB2 SER 3 HB2 SER 3 -1.333 -9.191 4.698
18 HB3 SER 3 HB3 SER 3 -1.133 -9.865 3.075
19 H HIS 4 H HIS 4 -3.291 -7.972 5.475
20 HA HIS 4 HA HIS 4 -3.858 -5.197 5.579
21 HB2 HIS 4 HB2 HIS 4 -4.971 -7.107 6.894
22 HB3 HIS 4 HB3 HIS 4 -3.552 -7.106 7.909
23 HD1 HIS 4 HD1 HIS 4 -5.809 -6.640 9.532
24 HD2 HIS 4 HD2 HIS 4 -4.255 -3.514 7.323
25 HE1 HIS 4 HE1 HIS 4 -6.674 -4.568 10.630
26 HE2 HIS 4 HE2 HIS 4 -5.915 -2.700 9.180
27 H TYR 5 H TYR 5 -2.478 -3.616 5.954
28 HA TYR 5 HA TYR 5 -0.819 -2.381 6.680
29 HB2 TYR 5 HB2 TYR 5 0.010 -4.773 8.312
30 HB3 TYR 5 HB3 TYR 5 1.019 -3.333 8.208
31 HD1 TYR 5 HD1 TYR 5 0.330 -1.259 9.177
32 HD2 TYR 5 HD2 TYR 5 -2.125 -4.707 9.522
33 HE1 TYR 5 HE1 TYR 5 -0.963 -0.144 10.919
34 HE2 TYR 5 HE2 TYR 5 -3.434 -3.590 11.287
35 HH TYR 5 HH TYR 5 -3.221 -0.277 11.853
36 H GLY 6 H GLY 6 -0.752 -4.472 4.457
37 HA2 GLY 6 HA2 GLY 6 2.079 -4.165 3.786
38 HA3 GLY 6 HA3 GLY 6 0.889 -5.192 2.976
39 H GLN 7 H GLN 7 2.621 -3.310 1.701
40 HA GLN 7 HA GLN 7 1.137 -0.996 0.993
41 HB2 GLN 7 HB2 GLN 7 3.628 -1.201 0.739
42 HB3 GLN 7 HB3 GLN 7 3.365 -2.359 -0.555
43 HG2 GLN 7 HG2 GLN 7 2.289 -0.609 -1.888
44 HG3 GLN 7 HG3 GLN 7 2.553 0.546 -0.579
45 HE21 GLN 7 HE21 GLN 7 3.929 1.915 -1.908
46 HE22 GLN 7 HE22 GLN 7 5.492 1.362 -2.304
47 H CYS 8 H CYS 8 -0.454 -0.809 -0.403
48 HA CYS 8 HA CYS 8 -1.240 -3.238 -1.891
49 HB2 CYS 8 HB2 CYS 8 -3.540 -2.348 -1.609
50 HB3 CYS 8 HB3 CYS 8 -2.709 -2.792 -0.112
51 H GLY 9 H GLY 9 0.076 -0.310 -2.599
52 HA2 GLY 9 HA2 GLY 9 -0.285 -0.344 -5.276
53 HA3 GLY 9 HA3 GLY 9 -1.824 0.253 -4.693
54 H GLY 10 H GLY 10 1.611 0.924 -4.525
55 HA2 GLY 10 HA2 GLY 10 0.881 3.767 -4.399
56 HA3 GLY 10 HA3 GLY 10 2.441 3.100 -3.892
57 H ILE 11 H ILE 11 2.279 5.170 -5.664
58 HA ILE 11 HA ILE 11 2.368 4.403 -8.369
59 HB ILE 11 HB ILE 11 3.916 6.620 -6.986
60 HG12 ILE 11 HG12 ILE 11 1.170 6.657 -8.281
61 HG13 ILE 11 HG13 ILE 11 1.529 6.794 -6.576
62 HG21 ILE 11 HG21 ILE 11 3.154 6.302 -9.903
63 HG22 ILE 11 HG22 ILE 11 4.779 6.131 -9.239
64 HG23 ILE 11 HG23 ILE 11 3.971 7.699 -9.203
65 HD11 ILE 11 HD11 ILE 11 1.008 8.972 -7.539
66 HD12 ILE 11 HD12 ILE 11 2.360 8.794 -8.660
67 HD13 ILE 11 HD13 ILE 11 2.664 8.909 -6.930
68 H GLY 12 H GLY 12 3.849 3.250 -9.460
69 HA2 GLY 12 HA2 GLY 12 6.013 2.543 -10.053
70 HA3 GLY 12 HA3 GLY 12 6.601 3.068 -8.478
71 H TYR 13 H TYR 13 4.030 1.586 -7.523
72 HA TYR 13 HA TYR 13 5.360 -0.989 -7.176
73 HB2 TYR 13 HB2 TYR 13 4.871 0.199 -5.117
74 HB3 TYR 13 HB3 TYR 13 3.198 0.407 -5.598
75 HD1 TYR 13 HD1 TYR 13 5.702 -2.261 -4.830
76 HD2 TYR 13 HD2 TYR 13 1.621 -1.079 -4.828
77 HE1 TYR 13 HE1 TYR 13 5.117 -4.289 -3.559
78 HE2 TYR 13 HE2 TYR 13 1.025 -3.095 -3.579
79 HH TYR 13 HH TYR 13 1.781 -5.139 -2.969
80 H SER 14 H SER 14 4.676 -2.530 -8.489
81 HA SER 14 HA SER 14 1.945 -2.454 -9.511
82 HB2 SER 14 HB2 SER 14 3.044 -3.897 -11.316
83 HB3 SER 14 HB3 SER 14 3.492 -2.187 -11.270
84 HG SER 14 HG SER 14 5.420 -2.933 -11.190
85 H GLY 15 H GLY 15 3.101 -3.661 -6.979
86 HA2 GLY 15 HA2 GLY 15 2.863 -6.520 -7.303
87 HA3 GLY 15 HA3 GLY 15 3.056 -5.648 -5.784
88 HA PRO 16 HA PRO 16 -1.217 -7.520 -5.695
89 HB2 PRO 16 HB2 PRO 16 -1.059 -7.371 -2.895
90 HB3 PRO 16 HB3 PRO 16 -0.769 -8.808 -3.873
91 HG2 PRO 16 HG2 PRO 16 1.206 -6.814 -2.807
92 HG3 PRO 16 HG3 PRO 16 1.344 -8.589 -2.885
93 HD2 PRO 16 HD2 PRO 16 2.626 -7.085 -4.566
94 HD3 PRO 16 HD3 PRO 16 1.775 -8.521 -5.172
95 H THR 17 H THR 17 -2.601 -5.909 -6.210
96 HA THR 17 HA THR 17 -2.666 -3.506 -4.561
97 HB THR 17 HB THR 17 -4.073 -2.650 -6.527
98 HG1 THR 17 HG1 THR 17 -4.410 -3.992 -8.080
99 HG21 THR 17 HG21 THR 17 -2.059 -2.148 -7.877
100 HG22 THR 17 HG22 THR 17 -1.167 -3.380 -6.976
101 HG23 THR 17 HG23 THR 17 -1.755 -1.940 -6.153
102 H VAL 18 H VAL 18 -4.455 -6.298 -5.455
103 HA VAL 18 HA VAL 18 -6.954 -5.251 -4.444
104 HB VAL 18 HB VAL 18 -6.252 -8.081 -5.288
105 HG11 VAL 18 HG11 VAL 18 -8.937 -6.795 -4.776
106 HG12 VAL 18 HG12 VAL 18 -8.155 -8.024 -3.779
107 HG13 VAL 18 HG13 VAL 18 -8.685 -8.421 -5.410
108 HG21 VAL 18 HG21 VAL 18 -7.451 -7.571 -7.361
109 HG22 VAL 18 HG22 VAL 18 -6.055 -6.513 -7.153
110 HG23 VAL 18 HG23 VAL 18 -7.678 -5.910 -6.819
111 H CYS 19 H CYS 19 -7.387 -5.254 -2.373
112 HA CYS 19 HA CYS 19 -5.693 -6.610 -0.501
113 HB2 CYS 19 HB2 CYS 19 -8.095 -4.839 -0.199
114 HB3 CYS 19 HB3 CYS 19 -7.303 -5.632 1.160
115 H ALA 20 H ALA 20 -6.545 -7.902 1.246
116 HA ALA 20 HA ALA 20 -8.151 -10.049 0.350
117 HB1 ALA 20 HB1 ALA 20 -7.162 -9.291 3.117
118 HB2 ALA 20 HB2 ALA 20 -6.372 -10.383 1.977
119 HB3 ALA 20 HB3 ALA 20 -7.916 -10.831 2.699
120 H SER 21 H SER 21 -10.165 -10.700 1.625
121 HA SER 21 HA SER 21 -12.040 -8.637 1.323
122 HB2 SER 21 HB2 SER 21 -12.366 -11.315 2.696
123 HB3 SER 21 HB3 SER 21 -13.637 -10.303 1.998
124 HG SER 21 HG SER 21 -12.028 -10.573 0.042
125 H GLY 22 H GLY 22 -12.401 -7.038 2.687
126 HA2 GLY 22 HA2 GLY 22 -13.246 -6.397 4.875
127 HA3 GLY 22 HA3 GLY 22 -12.124 -7.563 5.568
128 H THR 23 H THR 23 -10.132 -6.572 3.474
129 HA THR 23 HA THR 23 -9.289 -4.271 5.073
130 HB THR 23 HB THR 23 -6.985 -4.744 4.026
131 HG1 THR 23 HG1 THR 23 -8.433 -6.543 2.675
132 HG21 THR 23 HG21 THR 23 -6.500 -6.604 5.561
133 HG22 THR 23 HG22 THR 23 -8.235 -6.856 5.797
134 HG23 THR 23 HG23 THR 23 -7.476 -5.357 6.329
135 H THR 24 H THR 24 -8.500 -2.382 4.050
136 HA THR 24 HA THR 24 -9.355 -2.093 1.265
137 HB THR 24 HB THR 24 -10.062 0.263 1.940
138 HG1 THR 24 HG1 THR 24 -9.342 -0.744 4.430
139 HG21 THR 24 HG21 THR 24 -11.642 -2.057 3.066
140 HG22 THR 24 HG22 THR 24 -11.673 -1.519 1.391
141 HG23 THR 24 HG23 THR 24 -12.287 -0.466 2.665
142 H CYS 25 H CYS 25 -7.995 -0.978 -0.026
143 HA CYS 25 HA CYS 25 -5.379 -0.405 0.927
144 HB2 CYS 25 HB2 CYS 25 -5.888 -1.268 -1.382
145 HB3 CYS 25 HB3 CYS 25 -6.609 0.308 -1.725
146 H GLN 26 H GLN 26 -4.978 1.362 2.101
147 HA GLN 26 HA GLN 26 -6.420 3.760 1.392
148 HB2 GLN 26 HB2 GLN 26 -5.101 2.920 3.959
149 HB3 GLN 26 HB3 GLN 26 -5.844 4.493 3.702
150 HG2 GLN 26 HG2 GLN 26 -8.003 3.323 3.245
151 HG3 GLN 26 HG3 GLN 26 -7.210 1.808 3.648
152 HE21 GLN 26 HE21 GLN 26 -8.633 1.435 5.315
153 HE22 GLN 26 HE22 GLN 26 -8.517 2.289 6.811
154 H VAL 27 H VAL 27 -5.322 5.283 0.480
155 HA VAL 27 HA VAL 27 -2.509 4.942 -0.013
156 HB VAL 27 HB VAL 27 -4.383 7.169 -0.890
157 HG11 VAL 27 HG11 VAL 27 -2.712 7.616 -2.626
158 HG12 VAL 27 HG12 VAL 27 -1.664 6.392 -1.910
159 HG13 VAL 27 HG13 VAL 27 -2.062 7.851 -1.004
160 HG21 VAL 27 HG21 VAL 27 -5.137 5.007 -1.734
161 HG22 VAL 27 HG22 VAL 27 -3.524 4.685 -2.375
162 HG23 VAL 27 HG23 VAL 27 -4.489 6.001 -3.040
163 H LEU 28 H LEU 28 -1.236 5.461 1.639
164 HA LEU 28 HA LEU 28 -1.875 7.594 3.491
165 HB2 LEU 28 HB2 LEU 28 0.630 5.926 3.249
166 HB3 LEU 28 HB3 LEU 28 0.252 6.993 4.591
167 HG LEU 28 HG LEU 28 -1.094 4.388 3.865
168 HD11 LEU 28 HD11 LEU 28 0.488 5.234 6.278
169 HD12 LEU 28 HD12 LEU 28 1.046 4.179 4.986
170 HD13 LEU 28 HD13 LEU 28 -0.274 3.662 6.036
171 HD21 LEU 28 HD21 LEU 28 -2.795 5.939 4.669
172 HD22 LEU 28 HD22 LEU 28 -1.786 6.315 6.073
173 HD23 LEU 28 HD23 LEU 28 -2.440 4.688 5.865
174 H ASN 29 H ASN 29 0.466 6.891 0.999
175 HA ASN 29 HA ASN 29 1.001 9.719 0.625
176 HB2 ASN 29 HB2 ASN 29 3.079 7.488 0.759
177 HB3 ASN 29 HB3 ASN 29 3.375 9.106 0.131
178 HD21 ASN 29 HD21 ASN 29 2.911 7.179 2.984
179 HD22 ASN 29 HD22 ASN 29 3.383 8.398 4.105
180 HA PRO 30 HA PRO 30 0.194 8.429 -3.507
181 HB2 PRO 30 HB2 PRO 30 2.491 9.439 -4.824
182 HB3 PRO 30 HB3 PRO 30 0.875 10.134 -4.806
183 HG2 PRO 30 HG2 PRO 30 3.178 11.143 -3.540
184 HG3 PRO 30 HG3 PRO 30 1.521 11.734 -3.340
185 HD2 PRO 30 HD2 PRO 30 3.188 10.188 -1.543
186 HD3 PRO 30 HD3 PRO 30 1.669 10.994 -1.174
187 H TYR 31 H TYR 31 3.482 7.863 -2.424
188 HA TYR 31 HA TYR 31 3.624 5.686 -4.331
189 HB2 TYR 31 HB2 TYR 31 5.724 6.914 -2.552
190 HB3 TYR 31 HB3 TYR 31 6.017 5.486 -3.538
191 HD1 TYR 31 HD1 TYR 31 5.169 9.104 -3.694
192 HD2 TYR 31 HD2 TYR 31 6.454 5.679 -5.844
193 HE1 TYR 31 HE1 TYR 31 5.702 10.526 -5.634
194 HE2 TYR 31 HE2 TYR 31 6.990 7.078 -7.776
195 HH TYR 31 HH TYR 31 7.148 10.445 -7.602
196 H TYR 32 H TYR 32 3.349 6.257 -0.859
197 HA TYR 32 HA TYR 32 3.325 3.360 -0.564
198 HB2 TYR 32 HB2 TYR 32 4.909 4.525 0.951
199 HB3 TYR 32 HB3 TYR 32 3.542 5.345 1.705
200 HD1 TYR 32 HD1 TYR 32 2.368 4.306 3.446
201 HD2 TYR 32 HD2 TYR 32 4.935 1.976 1.002
202 HE1 TYR 32 HE1 TYR 32 2.021 2.384 4.938
203 HE2 TYR 32 HE2 TYR 32 4.614 0.040 2.480
204 HH TYR 32 HH TYR 32 3.989 -0.376 4.811
205 H SER 33 H SER 33 1.457 2.447 -0.642
206 HA SER 33 HA SER 33 -0.813 3.747 0.669
207 HB2 SER 33 HB2 SER 33 -0.821 1.872 -1.735
208 HB3 SER 33 HB3 SER 33 -2.244 2.610 -1.018
209 HG SER 33 HG SER 33 -1.153 3.619 -2.942
210 H GLN 34 H GLN 34 -1.788 2.435 2.224
211 HA GLN 34 HA GLN 34 -0.581 -0.222 2.506
212 HB2 GLN 34 HB2 GLN 34 0.340 1.380 4.131
213 HB3 GLN 34 HB3 GLN 34 -1.282 1.711 4.716
214 HG2 GLN 34 HG2 GLN 34 -1.512 -0.609 5.408
215 HG3 GLN 34 HG3 GLN 34 0.120 -0.942 4.830
216 HE21 GLN 34 HE21 GLN 34 1.865 -0.144 5.982
217 HE22 GLN 34 HE22 GLN 34 1.694 0.418 7.607
218 H CYS 35 H CYS 35 -1.951 -1.831 3.002
219 HA CYS 35 HA CYS 35 -4.751 -1.194 2.712
220 HB2 CYS 35 HB2 CYS 35 -3.614 -3.189 1.580
221 HB3 CYS 35 HB3 CYS 35 -3.634 -3.937 3.174
222 H LEU 36 H LEU 36 -6.082 -0.933 4.288
223 HA LEU 36 HA LEU 36 -5.467 -2.059 6.890
224 HB2 LEU 36 HB2 LEU 36 -6.695 0.629 6.260
225 HB3 LEU 36 HB3 LEU 36 -6.560 -0.063 7.862
226 HG LEU 36 HG LEU 36 -4.205 0.652 6.115
227 HD11 LEU 36 HD11 LEU 36 -5.407 2.645 6.826
228 HD12 LEU 36 HD12 LEU 36 -3.864 2.506 7.664
229 HD13 LEU 36 HD13 LEU 36 -5.360 2.087 8.499
230 HD21 LEU 36 HD21 LEU 36 -4.370 -0.227 8.997
231 HD22 LEU 36 HD22 LEU 36 -2.914 0.335 8.186
232 HD23 LEU 36 HD23 LEU 36 -3.692 -1.152 7.655
233 H1 MAN 101 H1 MAN 101 1.160 -9.562 4.626
234 H2 MAN 101 H2 MAN 101 2.361 -7.371 4.478
235 H3 MAN 101 H3 MAN 101 1.617 -6.759 2.205
236 H4 MAN 101 H4 MAN 101 3.519 -8.936 1.255
237 H5 MAN 101 H5 MAN 101 0.422 -8.816 1.164
238 H61 MAN 101 H61 MAN 101 0.677 -11.232 0.558
239 H62 MAN 101 H62 MAN 101 2.422 -10.980 0.323
240 HO2 MAN 101 HO2 MAN 101 3.593 -9.588 3.142
241 HO3 MAN 101 HO3 MAN 101 4.405 -7.201 2.501
242 HO4 MAN 101 HO4 MAN 101 2.615 -8.273 -0.755
243 HO6 MAN 101 HO6 MAN 101 0.240 -9.900 -1.134
Start of MODEL 12
1 H1 THR 1 H1 THR 1 -3.460 -11.944 -1.976
2 H2 THR 1 H2 THR 1 -2.610 -11.422 -3.327
3 H3 THR 1 H3 THR 1 -4.174 -12.067 -3.496
4 HA THR 1 HA THR 1 -4.229 -9.660 -3.619
5 HB THR 1 HB THR 1 -5.695 -9.309 -1.517
6 HG1 THR 1 HG1 THR 1 -6.304 -11.496 -0.686
7 HG21 THR 1 HG21 THR 1 -6.354 -11.576 -3.406
8 HG22 THR 1 HG22 THR 1 -6.634 -9.860 -3.715
9 HG23 THR 1 HG23 THR 1 -7.520 -10.683 -2.432
10 H ALA 2 H ALA 2 -4.173 -7.669 -2.157
11 HA ALA 2 HA ALA 2 -1.537 -7.365 -1.176
12 HB1 ALA 2 HB1 ALA 2 -2.162 -5.086 -0.673
13 HB2 ALA 2 HB2 ALA 2 -3.868 -5.466 -0.883
14 HB3 ALA 2 HB3 ALA 2 -2.767 -5.539 -2.264
15 H SER 3 H SER 3 -0.981 -6.636 0.943
16 HA SER 3 HA SER 3 -2.280 -8.351 2.882
17 HB2 SER 3 HB2 SER 3 -0.045 -8.049 4.010
18 HB3 SER 3 HB3 SER 3 -0.049 -8.938 2.478
19 H HIS 4 H HIS 4 -2.504 -7.687 5.023
20 HA HIS 4 HA HIS 4 -3.528 -5.034 5.361
21 HB2 HIS 4 HB2 HIS 4 -4.478 -7.091 6.431
22 HB3 HIS 4 HB3 HIS 4 -3.036 -7.232 7.403
23 HD1 HIS 4 HD1 HIS 4 -3.876 -6.807 9.678
24 HD2 HIS 4 HD2 HIS 4 -5.313 -4.011 6.983
25 HE1 HIS 4 HE1 HIS 4 -5.300 -5.243 11.037
26 HE2 HIS 4 HE2 HIS 4 -6.430 -3.837 9.298
27 H TYR 5 H TYR 5 -2.401 -3.326 5.921
28 HA TYR 5 HA TYR 5 -0.845 -1.939 6.700
29 HB2 TYR 5 HB2 TYR 5 0.159 -4.316 8.260
30 HB3 TYR 5 HB3 TYR 5 1.075 -2.815 8.226
31 HD1 TYR 5 HD1 TYR 5 -2.173 -4.306 9.184
32 HD2 TYR 5 HD2 TYR 5 0.445 -0.984 9.579
33 HE1 TYR 5 HE1 TYR 5 -3.556 -3.441 11.008
34 HE2 TYR 5 HE2 TYR 5 -0.940 -0.097 11.412
35 HH TYR 5 HH TYR 5 -3.224 -0.270 12.230
36 H GLY 6 H GLY 6 -0.476 -4.138 4.521
37 HA2 GLY 6 HA2 GLY 6 2.318 -3.587 3.900
38 HA3 GLY 6 HA3 GLY 6 1.233 -4.758 3.129
39 H GLN 7 H GLN 7 2.632 -3.230 1.437
40 HA GLN 7 HA GLN 7 1.132 -0.871 0.803
41 HB2 GLN 7 HB2 GLN 7 3.590 -1.071 0.382
42 HB3 GLN 7 HB3 GLN 7 3.241 -2.304 -0.820
43 HG2 GLN 7 HG2 GLN 7 2.016 -0.694 -2.155
44 HG3 GLN 7 HG3 GLN 7 2.305 0.567 -0.962
45 HE21 GLN 7 HE21 GLN 7 3.533 1.908 -2.409
46 HE22 GLN 7 HE22 GLN 7 5.055 1.378 -2.972
47 H CYS 8 H CYS 8 -0.522 -0.778 -0.528
48 HA CYS 8 HA CYS 8 -1.295 -3.252 -1.926
49 HB2 CYS 8 HB2 CYS 8 -3.588 -2.343 -1.797
50 HB3 CYS 8 HB3 CYS 8 -2.854 -2.774 -0.248
51 H GLY 9 H GLY 9 -0.902 0.222 -2.352
52 HA2 GLY 9 HA2 GLY 9 -1.008 -0.141 -5.206
53 HA3 GLY 9 HA3 GLY 9 -2.435 0.642 -4.549
54 H GLY 10 H GLY 10 1.046 0.851 -4.218
55 HA2 GLY 10 HA2 GLY 10 0.744 3.778 -4.206
56 HA3 GLY 10 HA3 GLY 10 2.109 2.903 -3.521
57 H ILE 11 H ILE 11 2.423 4.946 -5.385
58 HA ILE 11 HA ILE 11 2.737 3.961 -8.002
59 HB ILE 11 HB ILE 11 4.295 6.208 -6.685
60 HG12 ILE 11 HG12 ILE 11 1.733 6.344 -8.285
61 HG13 ILE 11 HG13 ILE 11 1.818 6.455 -6.528
62 HG21 ILE 11 HG21 ILE 11 4.569 7.040 -8.991
63 HG22 ILE 11 HG22 ILE 11 3.703 5.627 -9.601
64 HG23 ILE 11 HG23 ILE 11 5.264 5.427 -8.807
65 HD11 ILE 11 HD11 ILE 11 1.590 8.631 -7.568
66 HD12 ILE 11 HD12 ILE 11 3.076 8.363 -8.481
67 HD13 ILE 11 HD13 ILE 11 3.129 8.493 -6.723
68 H GLY 12 H GLY 12 4.093 2.500 -8.669
69 HA2 GLY 12 HA2 GLY 12 6.400 1.819 -9.039
70 HA3 GLY 12 HA3 GLY 12 6.730 2.244 -7.365
71 H TYR 13 H TYR 13 3.844 0.901 -7.127
72 HA TYR 13 HA TYR 13 4.983 -1.687 -6.421
73 HB2 TYR 13 HB2 TYR 13 3.740 -0.492 -4.695
74 HB3 TYR 13 HB3 TYR 13 2.346 -0.371 -5.747
75 HD1 TYR 13 HD1 TYR 13 0.648 -1.915 -5.509
76 HD2 TYR 13 HD2 TYR 13 4.522 -2.938 -4.108
77 HE1 TYR 13 HE1 TYR 13 -0.261 -3.953 -4.514
78 HE2 TYR 13 HE2 TYR 13 3.617 -4.995 -3.100
79 HH TYR 13 HH TYR 13 0.302 -5.963 -3.702
80 H SER 14 H SER 14 4.848 -3.252 -7.875
81 HA SER 14 HA SER 14 2.690 -3.188 -9.845
82 HB2 SER 14 HB2 SER 14 4.197 -4.798 -11.088
83 HB3 SER 14 HB3 SER 14 4.848 -3.173 -10.884
84 HG SER 14 HG SER 14 5.456 -5.445 -9.281
85 H GLY 15 H GLY 15 3.081 -4.420 -6.959
86 HA2 GLY 15 HA2 GLY 15 2.505 -7.215 -7.389
87 HA3 GLY 15 HA3 GLY 15 2.476 -6.378 -5.842
88 HA PRO 16 HA PRO 16 -1.914 -7.536 -7.014
89 HB2 PRO 16 HB2 PRO 16 -2.366 -8.275 -4.389
90 HB3 PRO 16 HB3 PRO 16 -1.884 -9.397 -5.670
91 HG2 PRO 16 HG2 PRO 16 -0.118 -7.918 -3.717
92 HG3 PRO 16 HG3 PRO 16 -0.108 -9.665 -4.094
93 HD2 PRO 16 HD2 PRO 16 1.655 -8.112 -5.150
94 HD3 PRO 16 HD3 PRO 16 0.789 -9.227 -6.230
95 H THR 17 H THR 17 -2.934 -5.594 -7.109
96 HA THR 17 HA THR 17 -2.722 -3.674 -4.944
97 HB THR 17 HB THR 17 -4.162 -2.277 -6.463
98 HG1 THR 17 HG1 THR 17 -3.572 -4.056 -8.531
99 HG21 THR 17 HG21 THR 17 -2.387 -1.869 -8.130
100 HG22 THR 17 HG22 THR 17 -1.619 -3.390 -7.677
101 HG23 THR 17 HG23 THR 17 -1.711 -2.069 -6.513
102 H VAL 18 H VAL 18 -4.845 -6.081 -6.047
103 HA VAL 18 HA VAL 18 -7.218 -5.126 -4.807
104 HB VAL 18 HB VAL 18 -6.470 -7.967 -5.592
105 HG11 VAL 18 HG11 VAL 18 -8.324 -7.940 -4.019
106 HG12 VAL 18 HG12 VAL 18 -8.887 -8.394 -5.628
107 HG13 VAL 18 HG13 VAL 18 -9.175 -6.765 -5.022
108 HG21 VAL 18 HG21 VAL 18 -7.750 -7.554 -7.636
109 HG22 VAL 18 HG22 VAL 18 -6.386 -6.439 -7.497
110 HG23 VAL 18 HG23 VAL 18 -8.018 -5.885 -7.134
111 H CYS 19 H CYS 19 -7.459 -4.995 -2.655
112 HA CYS 19 HA CYS 19 -5.661 -6.271 -0.868
113 HB2 CYS 19 HB2 CYS 19 -8.052 -4.526 -0.430
114 HB3 CYS 19 HB3 CYS 19 -7.293 -5.403 0.898
115 H ALA 20 H ALA 20 -6.252 -7.498 0.971
116 HA ALA 20 HA ALA 20 -7.607 -9.849 0.238
117 HB1 ALA 20 HB1 ALA 20 -6.985 -10.551 2.523
118 HB2 ALA 20 HB2 ALA 20 -6.453 -8.902 2.853
119 HB3 ALA 20 HB3 ALA 20 -5.624 -9.866 1.637
120 H SER 21 H SER 21 -9.308 -10.786 1.676
121 HA SER 21 HA SER 21 -11.597 -9.179 1.675
122 HB2 SER 21 HB2 SER 21 -11.107 -11.797 3.097
123 HB3 SER 21 HB3 SER 21 -12.681 -11.122 2.672
124 HG SER 21 HG SER 21 -11.509 -11.065 0.453
125 H GLY 22 H GLY 22 -11.965 -7.536 3.007
126 HA2 GLY 22 HA2 GLY 22 -12.803 -6.955 5.204
127 HA3 GLY 22 HA3 GLY 22 -11.529 -7.949 5.891
128 H THR 23 H THR 23 -9.956 -6.599 3.503
129 HA THR 23 HA THR 23 -9.242 -4.259 5.110
130 HB THR 23 HB THR 23 -6.912 -4.532 4.083
131 HG1 THR 23 HG1 THR 23 -8.166 -6.504 2.772
132 HG21 THR 23 HG21 THR 23 -6.259 -6.260 5.673
133 HG22 THR 23 HG22 THR 23 -7.943 -6.750 5.837
134 HG23 THR 23 HG23 THR 23 -7.429 -5.159 6.397
135 H THR 24 H THR 24 -8.505 -2.354 3.966
136 HA THR 24 HA THR 24 -9.392 -2.282 1.189
137 HB THR 24 HB THR 24 -10.252 0.071 1.612
138 HG1 THR 24 HG1 THR 24 -9.406 -0.494 4.154
139 HG21 THR 24 HG21 THR 24 -11.806 -1.775 1.288
140 HG22 THR 24 HG22 THR 24 -12.428 -0.682 2.529
141 HG23 THR 24 HG23 THR 24 -11.673 -2.206 2.991
142 H CYS 25 H CYS 25 -8.177 -1.011 -0.165
143 HA CYS 25 HA CYS 25 -5.525 -0.466 0.735
144 HB2 CYS 25 HB2 CYS 25 -6.078 -1.290 -1.565
145 HB3 CYS 25 HB3 CYS 25 -6.788 0.291 -1.897
146 H GLN 26 H GLN 26 -5.041 1.298 1.922
147 HA GLN 26 HA GLN 26 -6.530 3.709 1.324
148 HB2 GLN 26 HB2 GLN 26 -5.168 2.794 3.837
149 HB3 GLN 26 HB3 GLN 26 -5.921 4.366 3.662
150 HG2 GLN 26 HG2 GLN 26 -8.070 3.100 3.138
151 HG3 GLN 26 HG3 GLN 26 -7.219 1.653 3.662
152 HE21 GLN 26 HE21 GLN 26 -8.544 1.285 5.397
153 HE22 GLN 26 HE22 GLN 26 -8.553 2.306 6.789
154 H VAL 27 H VAL 27 -5.407 5.123 0.199
155 HA VAL 27 HA VAL 27 -2.572 5.014 -0.047
156 HB VAL 27 HB VAL 27 -4.557 7.159 -0.914
157 HG11 VAL 27 HG11 VAL 27 -2.770 8.010 -2.365
158 HG12 VAL 27 HG12 VAL 27 -1.655 6.836 -1.670
159 HG13 VAL 27 HG13 VAL 27 -2.325 8.118 -0.661
160 HG21 VAL 27 HG21 VAL 27 -3.171 4.996 -2.491
161 HG22 VAL 27 HG22 VAL 27 -4.218 6.238 -3.163
162 HG23 VAL 27 HG23 VAL 27 -4.882 5.023 -2.061
163 H LEU 28 H LEU 28 -1.277 5.578 1.562
164 HA LEU 28 HA LEU 28 -2.179 7.487 3.578
165 HB2 LEU 28 HB2 LEU 28 0.461 6.038 3.424
166 HB3 LEU 28 HB3 LEU 28 -0.175 6.897 4.802
167 HG LEU 28 HG LEU 28 -1.024 4.226 3.712
168 HD11 LEU 28 HD11 LEU 28 0.936 4.223 5.101
169 HD12 LEU 28 HD12 LEU 28 -0.409 3.478 5.965
170 HD13 LEU 28 HD13 LEU 28 0.088 5.125 6.351
171 HD21 LEU 28 HD21 LEU 28 -2.687 4.120 5.471
172 HD22 LEU 28 HD22 LEU 28 -3.057 5.456 4.367
173 HD23 LEU 28 HD23 LEU 28 -2.330 5.778 5.948
174 H ASN 29 H ASN 29 0.374 6.972 1.247
175 HA ASN 29 HA ASN 29 1.035 9.823 1.219
176 HB2 ASN 29 HB2 ASN 29 2.991 7.488 1.031
177 HB3 ASN 29 HB3 ASN 29 3.393 9.196 0.949
178 HD21 ASN 29 HD21 ASN 29 4.354 7.095 2.696
179 HD22 ASN 29 HD22 ASN 29 4.060 7.658 4.304
180 HA PRO 30 HA PRO 30 0.471 9.134 -3.102
181 HB2 PRO 30 HB2 PRO 30 2.924 9.957 -4.235
182 HB3 PRO 30 HB3 PRO 30 1.443 10.890 -4.122
183 HG2 PRO 30 HG2 PRO 30 3.870 11.252 -2.665
184 HG3 PRO 30 HG3 PRO 30 2.382 12.195 -2.532
185 HD2 PRO 30 HD2 PRO 30 3.488 10.275 -0.707
186 HD3 PRO 30 HD3 PRO 30 2.036 11.258 -0.486
187 H TYR 31 H TYR 31 3.658 7.976 -2.060
188 HA TYR 31 HA TYR 31 3.410 5.968 -4.159
189 HB2 TYR 31 HB2 TYR 31 5.853 6.673 -2.508
190 HB3 TYR 31 HB3 TYR 31 5.790 5.446 -3.752
191 HD1 TYR 31 HD1 TYR 31 6.520 6.005 -5.884
192 HD2 TYR 31 HD2 TYR 31 5.065 9.097 -3.356
193 HE1 TYR 31 HE1 TYR 31 7.084 7.679 -7.598
194 HE2 TYR 31 HE2 TYR 31 5.620 10.762 -5.054
195 HH TYR 31 HH TYR 31 7.023 11.021 -6.870
196 H TYR 32 H TYR 32 3.339 6.351 -0.724
197 HA TYR 32 HA TYR 32 3.276 3.443 -0.522
198 HB2 TYR 32 HB2 TYR 32 4.873 4.592 1.010
199 HB3 TYR 32 HB3 TYR 32 3.500 5.367 1.800
200 HD1 TYR 32 HD1 TYR 32 5.001 2.079 1.030
201 HD2 TYR 32 HD2 TYR 32 2.267 4.213 3.474
202 HE1 TYR 32 HE1 TYR 32 4.732 0.086 2.439
203 HE2 TYR 32 HE2 TYR 32 1.978 2.242 4.906
204 HH TYR 32 HH TYR 32 2.258 -0.295 4.656
205 H SER 33 H SER 33 1.392 2.550 -0.609
206 HA SER 33 HA SER 33 -0.849 3.844 0.758
207 HB2 SER 33 HB2 SER 33 -1.007 1.963 -1.628
208 HB3 SER 33 HB3 SER 33 -2.317 2.907 -0.915
209 HG SER 33 HG SER 33 -1.292 3.811 -2.868
210 H GLN 34 H GLN 34 -1.763 2.591 2.325
211 HA GLN 34 HA GLN 34 -0.548 -0.050 2.736
212 HB2 GLN 34 HB2 GLN 34 0.173 1.651 4.331
213 HB3 GLN 34 HB3 GLN 34 -1.494 2.027 4.702
214 HG2 GLN 34 HG2 GLN 34 -1.801 -0.150 5.702
215 HG3 GLN 34 HG3 GLN 34 -0.152 -0.598 5.248
216 HE21 GLN 34 HE21 GLN 34 1.592 0.202 6.468
217 HE22 GLN 34 HE22 GLN 34 1.345 1.049 7.931
218 H CYS 35 H CYS 35 -1.937 -1.713 3.061
219 HA CYS 35 HA CYS 35 -4.728 -1.095 2.656
220 HB2 CYS 35 HB2 CYS 35 -3.567 -3.057 1.517
221 HB3 CYS 35 HB3 CYS 35 -3.616 -3.866 3.071
222 H LEU 36 H LEU 36 -6.004 -0.682 4.196
223 HA LEU 36 HA LEU 36 -5.663 -1.957 6.784
224 HB2 LEU 36 HB2 LEU 36 -6.498 0.883 6.182
225 HB3 LEU 36 HB3 LEU 36 -6.530 0.148 7.769
226 HG LEU 36 HG LEU 36 -4.021 0.612 6.159
227 HD11 LEU 36 HD11 LEU 36 -3.591 2.438 7.735
228 HD12 LEU 36 HD12 LEU 36 -5.175 2.183 8.465
229 HD13 LEU 36 HD13 LEU 36 -5.051 2.725 6.788
230 HD21 LEU 36 HD21 LEU 36 -4.464 -0.219 9.030
231 HD22 LEU 36 HD22 LEU 36 -2.904 0.161 8.305
232 HD23 LEU 36 HD23 LEU 36 -3.821 -1.233 7.737
233 H1 MAN 101 H1 MAN 101 2.305 -7.839 3.434
234 H2 MAN 101 H2 MAN 101 2.915 -5.499 2.669
235 H3 MAN 101 H3 MAN 101 1.884 -5.572 0.388
236 H4 MAN 101 H4 MAN 101 4.058 -7.629 -0.030
237 H5 MAN 101 H5 MAN 101 1.018 -7.809 0.005
238 H61 MAN 101 H61 MAN 101 1.893 -9.241 -1.763
239 H62 MAN 101 H62 MAN 101 1.284 -10.204 -0.403
240 HO2 MAN 101 HO2 MAN 101 4.941 -6.115 1.914
241 HO3 MAN 101 HO3 MAN 101 3.829 -4.952 -0.735
242 HO4 MAN 101 HO4 MAN 101 2.180 -6.488 -1.927
243 HO6 MAN 101 HO6 MAN 101 3.364 -10.629 0.257
Start of MODEL 13
1 H1 THR 1 H1 THR 1 -3.730 -11.622 -4.253
2 H2 THR 1 H2 THR 1 -3.011 -11.674 -2.753
3 H3 THR 1 H3 THR 1 -2.232 -10.831 -3.988
4 HA THR 1 HA THR 1 -4.196 -9.307 -3.901
5 HB THR 1 HB THR 1 -5.396 -9.613 -1.618
6 HG1 THR 1 HG1 THR 1 -4.970 -11.472 -0.606
7 HG21 THR 1 HG21 THR 1 -5.908 -11.547 -3.901
8 HG22 THR 1 HG22 THR 1 -6.507 -9.892 -3.805
9 HG23 THR 1 HG23 THR 1 -7.068 -11.103 -2.650
10 H ALA 2 H ALA 2 -4.209 -7.574 -2.232
11 HA ALA 2 HA ALA 2 -1.575 -7.237 -1.119
12 HB1 ALA 2 HB1 ALA 2 -2.591 -5.414 -2.344
13 HB2 ALA 2 HB2 ALA 2 -2.328 -4.950 -0.658
14 HB3 ALA 2 HB3 ALA 2 -3.949 -5.371 -1.217
15 H SER 3 H SER 3 -1.166 -6.874 1.027
16 HA SER 3 HA SER 3 -3.041 -8.252 2.787
17 HB2 SER 3 HB2 SER 3 -0.916 -8.695 4.068
18 HB3 SER 3 HB3 SER 3 -1.047 -9.449 2.471
19 H HIS 4 H HIS 4 -3.195 -7.633 4.940
20 HA HIS 4 HA HIS 4 -3.657 -4.938 5.505
21 HB2 HIS 4 HB2 HIS 4 -4.658 -6.993 6.619
22 HB3 HIS 4 HB3 HIS 4 -3.161 -7.165 7.497
23 HD1 HIS 4 HD1 HIS 4 -4.137 -6.765 9.819
24 HD2 HIS 4 HD2 HIS 4 -5.068 -3.722 7.142
25 HE1 HIS 4 HE1 HIS 4 -5.257 -4.993 11.181
26 HE2 HIS 4 HE2 HIS 4 -6.005 -3.271 9.522
27 H TYR 5 H TYR 5 -2.344 -3.354 5.993
28 HA TYR 5 HA TYR 5 -0.644 -2.103 6.645
29 HB2 TYR 5 HB2 TYR 5 0.089 -4.481 8.331
30 HB3 TYR 5 HB3 TYR 5 1.161 -3.096 8.216
31 HD1 TYR 5 HD1 TYR 5 0.803 -1.188 9.526
32 HD2 TYR 5 HD2 TYR 5 -2.298 -4.066 9.142
33 HE1 TYR 5 HE1 TYR 5 -0.479 -0.030 11.281
34 HE2 TYR 5 HE2 TYR 5 -3.582 -2.915 10.887
35 HH TYR 5 HH TYR 5 -3.184 -1.476 12.736
36 H GLY 6 H GLY 6 -0.470 -4.223 4.431
37 HA2 GLY 6 HA2 GLY 6 2.371 -3.786 3.886
38 HA3 GLY 6 HA3 GLY 6 1.327 -4.962 3.077
39 H GLN 7 H GLN 7 2.815 -3.185 1.596
40 HA GLN 7 HA GLN 7 1.282 -0.912 0.878
41 HB2 GLN 7 HB2 GLN 7 3.737 -1.134 0.460
42 HB3 GLN 7 HB3 GLN 7 3.375 -2.378 -0.743
43 HG2 GLN 7 HG2 GLN 7 2.258 -0.780 -2.120
44 HG3 GLN 7 HG3 GLN 7 2.428 0.493 -0.917
45 HE21 GLN 7 HE21 GLN 7 3.713 1.869 -2.267
46 HE22 GLN 7 HE22 GLN 7 5.295 1.421 -2.685
47 H CYS 8 H CYS 8 -0.399 -0.812 -0.403
48 HA CYS 8 HA CYS 8 -1.223 -3.272 -1.779
49 HB2 CYS 8 HB2 CYS 8 -3.484 -2.290 -1.704
50 HB3 CYS 8 HB3 CYS 8 -2.786 -2.639 -0.120
51 H GLY 9 H GLY 9 -0.795 0.200 -2.290
52 HA2 GLY 9 HA2 GLY 9 -0.734 -0.215 -5.119
53 HA3 GLY 9 HA3 GLY 9 -2.264 0.463 -4.578
54 H GLY 10 H GLY 10 1.159 0.968 -4.027
55 HA2 GLY 10 HA2 GLY 10 0.640 3.851 -4.217
56 HA3 GLY 10 HA3 GLY 10 2.038 3.127 -3.415
57 H ILE 11 H ILE 11 2.246 5.064 -5.482
58 HA ILE 11 HA ILE 11 2.707 3.899 -8.002
59 HB ILE 11 HB ILE 11 4.187 6.280 -6.840
60 HG12 ILE 11 HG12 ILE 11 1.614 6.255 -8.447
61 HG13 ILE 11 HG13 ILE 11 1.712 6.540 -6.715
62 HG21 ILE 11 HG21 ILE 11 4.462 6.932 -9.213
63 HG22 ILE 11 HG22 ILE 11 3.640 5.446 -9.699
64 HG23 ILE 11 HG23 ILE 11 5.192 5.358 -8.879
65 HD11 ILE 11 HD11 ILE 11 3.064 8.542 -7.136
66 HD12 ILE 11 HD12 ILE 11 1.478 8.625 -7.890
67 HD13 ILE 11 HD13 ILE 11 2.900 8.268 -8.874
68 H GLY 12 H GLY 12 4.109 2.396 -8.498
69 HA2 GLY 12 HA2 GLY 12 6.460 1.818 -8.743
70 HA3 GLY 12 HA3 GLY 12 6.688 2.321 -7.074
71 H TYR 13 H TYR 13 3.883 0.906 -6.757
72 HA TYR 13 HA TYR 13 5.098 -1.638 -6.077
73 HB2 TYR 13 HB2 TYR 13 3.712 -0.518 -4.372
74 HB3 TYR 13 HB3 TYR 13 2.335 -0.556 -5.454
75 HD1 TYR 13 HD1 TYR 13 0.767 -2.219 -5.099
76 HD2 TYR 13 HD2 TYR 13 4.781 -2.957 -3.904
77 HE1 TYR 13 HE1 TYR 13 0.074 -4.365 -4.131
78 HE2 TYR 13 HE2 TYR 13 4.094 -5.115 -2.923
79 HH TYR 13 HH TYR 13 0.910 -6.412 -3.465
80 H SER 14 H SER 14 5.171 -3.076 -7.628
81 HA SER 14 HA SER 14 3.193 -3.060 -9.743
82 HB2 SER 14 HB2 SER 14 4.799 -4.710 -10.789
83 HB3 SER 14 HB3 SER 14 5.451 -3.103 -10.489
84 HG SER 14 HG SER 14 6.842 -3.910 -9.222
85 H GLY 15 H GLY 15 3.200 -4.324 -6.842
86 HA2 GLY 15 HA2 GLY 15 2.486 -7.078 -7.443
87 HA3 GLY 15 HA3 GLY 15 2.491 -6.341 -5.844
88 HA PRO 16 HA PRO 16 -1.962 -7.120 -7.301
89 HB2 PRO 16 HB2 PRO 16 -2.535 -8.115 -4.789
90 HB3 PRO 16 HB3 PRO 16 -2.064 -9.112 -6.175
91 HG2 PRO 16 HG2 PRO 16 -0.302 -7.922 -4.037
92 HG3 PRO 16 HG3 PRO 16 -0.372 -9.632 -4.555
93 HD2 PRO 16 HD2 PRO 16 1.516 -8.142 -5.457
94 HD3 PRO 16 HD3 PRO 16 0.565 -9.045 -6.661
95 H THR 17 H THR 17 -3.139 -5.303 -7.130
96 HA THR 17 HA THR 17 -2.730 -3.469 -4.933
97 HB THR 17 HB THR 17 -4.255 -2.037 -6.365
98 HG1 THR 17 HG1 THR 17 -5.230 -3.151 -7.813
99 HG21 THR 17 HG21 THR 17 -1.691 -3.076 -7.591
100 HG22 THR 17 HG22 THR 17 -1.810 -1.788 -6.394
101 HG23 THR 17 HG23 THR 17 -2.477 -1.554 -8.011
102 H VAL 18 H VAL 18 -5.003 -5.857 -5.868
103 HA VAL 18 HA VAL 18 -7.170 -4.668 -4.350
104 HB VAL 18 HB VAL 18 -7.017 -7.426 -5.620
105 HG11 VAL 18 HG11 VAL 18 -9.468 -7.464 -5.366
106 HG12 VAL 18 HG12 VAL 18 -9.397 -5.928 -4.505
107 HG13 VAL 18 HG13 VAL 18 -8.644 -7.363 -3.809
108 HG21 VAL 18 HG21 VAL 18 -8.441 -6.495 -7.377
109 HG22 VAL 18 HG22 VAL 18 -6.905 -5.629 -7.283
110 HG23 VAL 18 HG23 VAL 18 -8.367 -4.914 -6.604
111 H CYS 19 H CYS 19 -7.539 -5.004 -2.287
112 HA CYS 19 HA CYS 19 -5.679 -6.495 -0.712
113 HB2 CYS 19 HB2 CYS 19 -8.096 -4.857 -0.031
114 HB3 CYS 19 HB3 CYS 19 -7.149 -5.738 1.167
115 H ALA 20 H ALA 20 -6.510 -7.808 1.120
116 HA ALA 20 HA ALA 20 -8.074 -9.992 0.117
117 HB1 ALA 20 HB1 ALA 20 -6.742 -9.475 2.761
118 HB2 ALA 20 HB2 ALA 20 -6.071 -10.397 1.419
119 HB3 ALA 20 HB3 ALA 20 -7.482 -11.008 2.297
120 H SER 21 H SER 21 -9.640 -10.955 1.894
121 HA SER 21 HA SER 21 -11.882 -9.325 1.994
122 HB2 SER 21 HB2 SER 21 -11.274 -11.803 3.599
123 HB3 SER 21 HB3 SER 21 -12.867 -11.165 3.181
124 HG SER 21 HG SER 21 -12.430 -11.529 1.038
125 H GLY 22 H GLY 22 -12.278 -7.681 3.327
126 HA2 GLY 22 HA2 GLY 22 -12.802 -6.864 5.467
127 HA3 GLY 22 HA3 GLY 22 -11.636 -7.983 6.155
128 H THR 23 H THR 23 -10.286 -6.453 3.509
129 HA THR 23 HA THR 23 -9.220 -4.294 5.171
130 HB THR 23 HB THR 23 -6.952 -4.835 3.935
131 HG1 THR 23 HG1 THR 23 -8.392 -6.724 2.901
132 HG21 THR 23 HG21 THR 23 -7.277 -4.998 6.358
133 HG22 THR 23 HG22 THR 23 -6.319 -6.352 5.753
134 HG23 THR 23 HG23 THR 23 -8.017 -6.588 6.159
135 H THR 24 H THR 24 -8.410 -2.433 4.006
136 HA THR 24 HA THR 24 -9.300 -2.304 1.206
137 HB THR 24 HB THR 24 -10.000 0.079 1.698
138 HG1 THR 24 HG1 THR 24 -9.184 -0.650 4.213
139 HG21 THR 24 HG21 THR 24 -12.214 -0.575 2.541
140 HG22 THR 24 HG22 THR 24 -11.563 -2.152 3.002
141 HG23 THR 24 HG23 THR 24 -11.636 -1.694 1.305
142 H CYS 25 H CYS 25 -8.105 -0.965 -0.147
143 HA CYS 25 HA CYS 25 -5.425 -0.467 0.764
144 HB2 CYS 25 HB2 CYS 25 -5.874 -1.379 -1.500
145 HB3 CYS 25 HB3 CYS 25 -6.706 0.118 -1.912
146 H GLN 26 H GLN 26 -5.069 1.290 1.978
147 HA GLN 26 HA GLN 26 -6.505 3.684 1.248
148 HB2 GLN 26 HB2 GLN 26 -5.299 2.809 3.860
149 HB3 GLN 26 HB3 GLN 26 -5.960 4.416 3.572
150 HG2 GLN 26 HG2 GLN 26 -8.144 3.416 3.070
151 HG3 GLN 26 HG3 GLN 26 -7.475 1.821 3.362
152 HE21 GLN 26 HE21 GLN 26 -8.924 1.391 4.973
153 HE22 GLN 26 HE22 GLN 26 -8.845 2.120 6.528
154 H VAL 27 H VAL 27 -5.415 5.084 0.216
155 HA VAL 27 HA VAL 27 -2.576 4.951 -0.105
156 HB VAL 27 HB VAL 27 -4.549 7.070 -1.030
157 HG11 VAL 27 HG11 VAL 27 -1.719 6.537 -1.920
158 HG12 VAL 27 HG12 VAL 27 -2.263 7.919 -0.980
159 HG13 VAL 27 HG13 VAL 27 -2.809 7.717 -2.648
160 HG21 VAL 27 HG21 VAL 27 -4.422 5.959 -3.215
161 HG22 VAL 27 HG22 VAL 27 -5.072 4.881 -1.976
162 HG23 VAL 27 HG23 VAL 27 -3.399 4.709 -2.513
163 H LEU 28 H LEU 28 -1.322 5.594 1.508
164 HA LEU 28 HA LEU 28 -2.181 7.658 3.368
165 HB2 LEU 28 HB2 LEU 28 0.456 6.173 3.239
166 HB3 LEU 28 HB3 LEU 28 -0.117 7.152 4.571
167 HG LEU 28 HG LEU 28 -1.233 4.488 3.689
168 HD11 LEU 28 HD11 LEU 28 -0.439 3.725 5.871
169 HD12 LEU 28 HD12 LEU 28 0.253 5.320 6.164
170 HD13 LEU 28 HD13 LEU 28 0.876 4.315 4.858
171 HD21 LEU 28 HD21 LEU 28 -2.066 6.278 5.948
172 HD22 LEU 28 HD22 LEU 28 -2.619 4.622 5.674
173 HD23 LEU 28 HD23 LEU 28 -3.032 5.897 4.512
174 H ASN 29 H ASN 29 0.416 7.019 1.101
175 HA ASN 29 HA ASN 29 0.797 9.879 0.689
176 HB2 ASN 29 HB2 ASN 29 2.961 7.737 0.951
177 HB3 ASN 29 HB3 ASN 29 3.209 9.390 0.387
178 HD21 ASN 29 HD21 ASN 29 4.316 7.914 2.688
179 HD22 ASN 29 HD22 ASN 29 3.973 8.890 4.056
180 HA PRO 30 HA PRO 30 0.278 8.684 -3.508
181 HB2 PRO 30 HB2 PRO 30 2.660 9.633 -4.703
182 HB3 PRO 30 HB3 PRO 30 1.069 10.382 -4.735
183 HG2 PRO 30 HG2 PRO 30 3.376 11.244 -3.322
184 HG3 PRO 30 HG3 PRO 30 1.761 11.962 -3.265
185 HD2 PRO 30 HD2 PRO 30 3.148 10.401 -1.296
186 HD3 PRO 30 HD3 PRO 30 1.595 11.207 -1.113
187 H TYR 31 H TYR 31 3.549 7.981 -2.354
188 HA TYR 31 HA TYR 31 3.581 5.802 -4.276
189 HB2 TYR 31 HB2 TYR 31 5.822 6.864 -2.532
190 HB3 TYR 31 HB3 TYR 31 5.968 5.513 -3.637
191 HD1 TYR 31 HD1 TYR 31 6.527 5.872 -5.877
192 HD2 TYR 31 HD2 TYR 31 5.156 9.169 -3.573
193 HE1 TYR 31 HE1 TYR 31 7.085 7.387 -7.718
194 HE2 TYR 31 HE2 TYR 31 5.707 10.691 -5.408
195 HH TYR 31 HH TYR 31 6.484 9.544 -8.535
196 H TYR 32 H TYR 32 3.304 6.404 -0.845
197 HA TYR 32 HA TYR 32 3.268 3.502 -0.524
198 HB2 TYR 32 HB2 TYR 32 4.833 4.667 1.000
199 HB3 TYR 32 HB3 TYR 32 3.452 5.490 1.734
200 HD1 TYR 32 HD1 TYR 32 4.692 2.086 0.927
201 HD2 TYR 32 HD2 TYR 32 2.353 4.477 3.548
202 HE1 TYR 32 HE1 TYR 32 4.312 0.134 2.343
203 HE2 TYR 32 HE2 TYR 32 1.962 2.526 4.989
204 HH TYR 32 HH TYR 32 3.736 -0.397 4.548
205 H SER 33 H SER 33 1.432 2.583 -0.643
206 HA SER 33 HA SER 33 -0.840 3.830 0.721
207 HB2 SER 33 HB2 SER 33 -0.956 2.004 -1.711
208 HB3 SER 33 HB3 SER 33 -2.313 2.824 -0.934
209 HG SER 33 HG SER 33 -1.243 3.800 -2.907
210 H GLN 34 H GLN 34 -1.823 2.502 2.205
211 HA GLN 34 HA GLN 34 -0.546 -0.113 2.563
212 HB2 GLN 34 HB2 GLN 34 0.247 1.544 4.173
213 HB3 GLN 34 HB3 GLN 34 -1.405 1.905 4.632
214 HG2 GLN 34 HG2 GLN 34 -1.676 -0.280 5.572
215 HG3 GLN 34 HG3 GLN 34 -0.085 -0.762 4.985
216 HE21 GLN 34 HE21 GLN 34 1.731 0.048 5.980
217 HE22 GLN 34 HE22 GLN 34 1.691 0.750 7.551
218 H CYS 35 H CYS 35 -1.899 -1.790 3.004
219 HA CYS 35 HA CYS 35 -4.703 -1.229 2.647
220 HB2 CYS 35 HB2 CYS 35 -3.522 -3.282 1.612
221 HB3 CYS 35 HB3 CYS 35 -3.562 -3.936 3.244
222 H LEU 36 H LEU 36 -5.948 -0.754 4.223
223 HA LEU 36 HA LEU 36 -5.395 -1.813 6.871
224 HB2 LEU 36 HB2 LEU 36 -6.501 0.889 6.108
225 HB3 LEU 36 HB3 LEU 36 -6.437 0.274 7.746
226 HG LEU 36 HG LEU 36 -4.042 0.839 5.999
227 HD11 LEU 36 HD11 LEU 36 -3.613 2.676 7.559
228 HD12 LEU 36 HD12 LEU 36 -5.122 2.314 8.396
229 HD13 LEU 36 HD13 LEU 36 -5.155 2.881 6.725
230 HD21 LEU 36 HD21 LEU 36 -4.215 -0.041 8.879
231 HD22 LEU 36 HD22 LEU 36 -2.748 0.464 8.050
232 HD23 LEU 36 HD23 LEU 36 -3.591 -0.989 7.525
233 H1 MAN 101 H1 MAN 101 1.544 -9.185 3.377
234 H2 MAN 101 H2 MAN 101 2.560 -6.858 2.624
235 H3 MAN 101 H3 MAN 101 3.130 -6.550 0.456
236 H4 MAN 101 H4 MAN 101 1.622 -7.690 -1.272
237 H5 MAN 101 H5 MAN 101 -0.358 -8.877 0.211
238 H61 MAN 101 H61 MAN 101 0.539 -9.741 -1.890
239 H62 MAN 101 H62 MAN 101 0.323 -11.021 -0.689
240 HO2 MAN 101 HO2 MAN 101 3.701 -9.372 1.953
241 HO3 MAN 101 HO3 MAN 101 4.520 -8.265 0.648
242 HO4 MAN 101 HO4 MAN 101 0.935 -5.824 -0.242
243 HO6 MAN 101 HO6 MAN 101 2.822 -9.901 -0.498
Start of MODEL 14
1 H1 THR 1 H1 THR 1 -4.075 -12.074 -3.830
2 H2 THR 1 H2 THR 1 -3.354 -12.122 -2.294
3 H3 THR 1 H3 THR 1 -2.547 -11.384 -3.581
4 HA THR 1 HA THR 1 -4.213 -9.686 -3.630
5 HB THR 1 HB THR 1 -5.810 -9.724 -1.610
6 HG1 THR 1 HG1 THR 1 -6.222 -11.907 -0.838
7 HG21 THR 1 HG21 THR 1 -6.586 -10.130 -3.915
8 HG22 THR 1 HG22 THR 1 -7.453 -11.154 -2.769
9 HG23 THR 1 HG23 THR 1 -6.163 -11.835 -3.758
10 H ALA 2 H ALA 2 -4.061 -7.858 -2.086
11 HA ALA 2 HA ALA 2 -1.518 -7.870 -0.809
12 HB1 ALA 2 HB1 ALA 2 -2.355 -5.874 -1.947
13 HB2 ALA 2 HB2 ALA 2 -1.991 -5.533 -0.259
14 HB3 ALA 2 HB3 ALA 2 -3.666 -5.735 -0.774
15 H SER 3 H SER 3 -1.033 -7.736 1.354
16 HA SER 3 HA SER 3 -3.005 -8.920 3.104
17 HB2 SER 3 HB2 SER 3 -0.992 -9.242 4.526
18 HB3 SER 3 HB3 SER 3 -0.827 -9.939 2.907
19 H HIS 4 H HIS 4 -3.109 -8.102 5.333
20 HA HIS 4 HA HIS 4 -3.690 -5.323 5.429
21 HB2 HIS 4 HB2 HIS 4 -4.807 -7.150 6.797
22 HB3 HIS 4 HB3 HIS 4 -3.332 -7.270 7.725
23 HD1 HIS 4 HD1 HIS 4 -4.404 -6.575 9.923
24 HD2 HIS 4 HD2 HIS 4 -4.933 -3.789 6.901
25 HE1 HIS 4 HE1 HIS 4 -5.454 -4.584 11.030
26 HE2 HIS 4 HE2 HIS 4 -6.027 -3.052 9.140
27 H TYR 5 H TYR 5 -2.330 -3.707 5.840
28 HA TYR 5 HA TYR 5 -0.637 -2.483 6.546
29 HB2 TYR 5 HB2 TYR 5 0.230 -4.918 8.096
30 HB3 TYR 5 HB3 TYR 5 1.253 -3.490 7.993
31 HD1 TYR 5 HD1 TYR 5 0.595 -1.416 9.052
32 HD2 TYR 5 HD2 TYR 5 -1.822 -4.897 9.398
33 HE1 TYR 5 HE1 TYR 5 -0.606 -0.381 10.916
34 HE2 TYR 5 HE2 TYR 5 -3.029 -3.862 11.278
35 HH TYR 5 HH TYR 5 -2.723 -0.553 11.998
36 H GLY 6 H GLY 6 -0.575 -4.631 4.281
37 HA2 GLY 6 HA2 GLY 6 2.233 -4.223 3.573
38 HA3 GLY 6 HA3 GLY 6 1.079 -5.255 2.731
39 H GLN 7 H GLN 7 2.712 -3.326 1.434
40 HA GLN 7 HA GLN 7 1.154 -0.999 0.872
41 HB2 GLN 7 HB2 GLN 7 3.607 -1.036 0.494
42 HB3 GLN 7 HB3 GLN 7 3.385 -2.287 -0.737
43 HG2 GLN 7 HG2 GLN 7 2.241 -0.738 -2.146
44 HG3 GLN 7 HG3 GLN 7 2.279 0.532 -0.933
45 HE21 GLN 7 HE21 GLN 7 3.589 2.002 -2.207
46 HE22 GLN 7 HE22 GLN 7 5.201 1.622 -2.568
47 H CYS 8 H CYS 8 -0.505 -0.876 -0.426
48 HA CYS 8 HA CYS 8 -1.240 -3.293 -1.914
49 HB2 CYS 8 HB2 CYS 8 -3.501 -2.211 -1.919
50 HB3 CYS 8 HB3 CYS 8 -2.883 -2.744 -0.354
51 H GLY 9 H GLY 9 -0.946 0.222 -2.340
52 HA2 GLY 9 HA2 GLY 9 -0.892 -0.197 -5.204
53 HA3 GLY 9 HA3 GLY 9 -2.355 0.572 -4.589
54 H GLY 10 H GLY 10 1.111 0.850 -4.226
55 HA2 GLY 10 HA2 GLY 10 0.717 3.753 -4.231
56 HA3 GLY 10 HA3 GLY 10 2.118 2.927 -3.555
57 H ILE 11 H ILE 11 2.165 5.012 -5.525
58 HA ILE 11 HA ILE 11 2.585 4.003 -8.109
59 HB ILE 11 HB ILE 11 3.963 6.384 -6.820
60 HG12 ILE 11 HG12 ILE 11 1.395 6.324 -8.420
61 HG13 ILE 11 HG13 ILE 11 1.476 6.492 -6.667
62 HG21 ILE 11 HG21 ILE 11 4.188 7.215 -9.123
63 HG22 ILE 11 HG22 ILE 11 3.434 5.737 -9.725
64 HG23 ILE 11 HG23 ILE 11 5.002 5.662 -8.920
65 HD11 ILE 11 HD11 ILE 11 2.604 8.427 -8.682
66 HD12 ILE 11 HD12 ILE 11 2.650 8.611 -6.927
67 HD13 ILE 11 HD13 ILE 11 1.104 8.627 -7.777
68 H GLY 12 H GLY 12 4.098 2.657 -8.805
69 HA2 GLY 12 HA2 GLY 12 6.398 2.131 -9.117
70 HA3 GLY 12 HA3 GLY 12 6.700 2.615 -7.447
71 H TYR 13 H TYR 13 3.950 1.168 -7.066
72 HA TYR 13 HA TYR 13 5.184 -1.423 -6.556
73 HB2 TYR 13 HB2 TYR 13 4.202 -0.262 -4.618
74 HB3 TYR 13 HB3 TYR 13 2.655 -0.190 -5.448
75 HD1 TYR 13 HD1 TYR 13 5.174 -2.577 -4.130
76 HD2 TYR 13 HD2 TYR 13 1.111 -1.919 -5.184
77 HE1 TYR 13 HE1 TYR 13 4.572 -4.723 -3.122
78 HE2 TYR 13 HE2 TYR 13 0.500 -4.073 -4.187
79 HH TYR 13 HH TYR 13 1.340 -6.023 -3.467
80 H SER 14 H SER 14 4.792 -2.932 -8.004
81 HA SER 14 HA SER 14 2.286 -2.813 -9.493
82 HB2 SER 14 HB2 SER 14 3.620 -4.106 -11.233
83 HB3 SER 14 HB3 SER 14 4.096 -2.429 -10.979
84 HG SER 14 HG SER 14 5.459 -4.723 -10.592
85 H GLY 15 H GLY 15 3.135 -4.177 -6.892
86 HA2 GLY 15 HA2 GLY 15 2.848 -7.017 -7.469
87 HA3 GLY 15 HA3 GLY 15 2.944 -6.282 -5.865
88 HA PRO 16 HA PRO 16 -1.431 -7.825 -6.339
89 HB2 PRO 16 HB2 PRO 16 -1.486 -8.138 -3.554
90 HB3 PRO 16 HB3 PRO 16 -1.182 -9.431 -4.718
91 HG2 PRO 16 HG2 PRO 16 0.796 -7.725 -3.235
92 HG3 PRO 16 HG3 PRO 16 0.838 -9.490 -3.510
93 HD2 PRO 16 HD2 PRO 16 2.352 -7.901 -4.904
94 HD3 PRO 16 HD3 PRO 16 1.447 -9.172 -5.754
95 H THR 17 H THR 17 -2.560 -5.976 -6.697
96 HA THR 17 HA THR 17 -2.353 -3.750 -4.859
97 HB THR 17 HB THR 17 -3.806 -2.705 -6.693
98 HG1 THR 17 HG1 THR 17 -4.168 -3.877 -8.437
99 HG21 THR 17 HG21 THR 17 -1.030 -3.695 -7.392
100 HG22 THR 17 HG22 THR 17 -1.387 -2.249 -6.452
101 HG23 THR 17 HG23 THR 17 -1.848 -2.334 -8.155
102 H VAL 18 H VAL 18 -4.445 -6.332 -5.656
103 HA VAL 18 HA VAL 18 -6.789 -5.033 -4.558
104 HB VAL 18 HB VAL 18 -6.475 -7.885 -5.551
105 HG11 VAL 18 HG11 VAL 18 -8.962 -6.264 -5.014
106 HG12 VAL 18 HG12 VAL 18 -8.358 -7.597 -4.030
107 HG13 VAL 18 HG13 VAL 18 -8.918 -7.899 -5.675
108 HG21 VAL 18 HG21 VAL 18 -7.581 -7.113 -7.606
109 HG22 VAL 18 HG22 VAL 18 -6.040 -6.294 -7.352
110 HG23 VAL 18 HG23 VAL 18 -7.551 -5.463 -6.990
111 H CYS 19 H CYS 19 -7.158 -5.092 -2.496
112 HA CYS 19 HA CYS 19 -5.571 -6.574 -0.661
113 HB2 CYS 19 HB2 CYS 19 -7.962 -4.793 -0.327
114 HB3 CYS 19 HB3 CYS 19 -7.160 -5.605 1.018
115 H ALA 20 H ALA 20 -6.591 -7.744 1.174
116 HA ALA 20 HA ALA 20 -8.202 -9.909 0.236
117 HB1 ALA 20 HB1 ALA 20 -7.183 -9.213 2.996
118 HB2 ALA 20 HB2 ALA 20 -6.367 -10.251 1.831
119 HB3 ALA 20 HB3 ALA 20 -7.912 -10.750 2.527
120 H SER 21 H SER 21 -10.187 -10.536 1.433
121 HA SER 21 HA SER 21 -12.066 -8.477 1.509
122 HB2 SER 21 HB2 SER 21 -12.207 -11.250 2.692
123 HB3 SER 21 HB3 SER 21 -13.579 -10.231 2.250
124 HG SER 21 HG SER 21 -12.843 -10.271 0.126
125 H GLY 22 H GLY 22 -12.157 -6.964 3.016
126 HA2 GLY 22 HA2 GLY 22 -12.794 -6.433 5.287
127 HA3 GLY 22 HA3 GLY 22 -11.744 -7.736 5.822
128 H THR 23 H THR 23 -10.286 -6.089 3.316
129 HA THR 23 HA THR 23 -9.050 -4.151 5.094
130 HB THR 23 HB THR 23 -6.833 -4.644 3.897
131 HG1 THR 23 HG1 THR 23 -8.407 -6.536 2.736
132 HG21 THR 23 HG21 THR 23 -7.194 -5.266 6.230
133 HG22 THR 23 HG22 THR 23 -6.248 -6.500 5.396
134 HG23 THR 23 HG23 THR 23 -7.958 -6.771 5.720
135 H THR 24 H THR 24 -8.262 -2.230 4.033
136 HA THR 24 HA THR 24 -9.247 -1.974 1.294
137 HB THR 24 HB THR 24 -9.982 0.379 1.862
138 HG1 THR 24 HG1 THR 24 -9.135 -0.369 4.414
139 HG21 THR 24 HG21 THR 24 -12.138 -0.295 2.864
140 HG22 THR 24 HG22 THR 24 -11.448 -1.869 3.252
141 HG23 THR 24 HG23 THR 24 -11.638 -1.379 1.569
142 H CYS 25 H CYS 25 -8.007 -0.766 -0.070
143 HA CYS 25 HA CYS 25 -5.317 -0.256 0.797
144 HB2 CYS 25 HB2 CYS 25 -5.950 -1.078 -1.527
145 HB3 CYS 25 HB3 CYS 25 -6.606 0.538 -1.810
146 H GLN 26 H GLN 26 -4.883 1.490 2.005
147 HA GLN 26 HA GLN 26 -6.436 3.851 1.430
148 HB2 GLN 26 HB2 GLN 26 -4.972 3.001 3.903
149 HB3 GLN 26 HB3 GLN 26 -5.645 4.611 3.691
150 HG2 GLN 26 HG2 GLN 26 -7.872 3.589 3.379
151 HG3 GLN 26 HG3 GLN 26 -7.167 2.008 3.689
152 HE21 GLN 26 HE21 GLN 26 -8.429 1.650 5.446
153 HE22 GLN 26 HE22 GLN 26 -8.238 2.453 6.946
154 H VAL 27 H VAL 27 -5.533 5.633 0.793
155 HA VAL 27 HA VAL 27 -2.777 5.606 -0.033
156 HB VAL 27 HB VAL 27 -4.816 7.849 -0.209
157 HG11 VAL 27 HG11 VAL 27 -2.528 8.639 -0.397
158 HG12 VAL 27 HG12 VAL 27 -3.350 8.768 -1.954
159 HG13 VAL 27 HG13 VAL 27 -2.205 7.459 -1.662
160 HG21 VAL 27 HG21 VAL 27 -4.044 5.830 -2.302
161 HG22 VAL 27 HG22 VAL 27 -5.143 7.186 -2.534
162 HG23 VAL 27 HG23 VAL 27 -5.579 5.875 -1.432
163 H LEU 28 H LEU 28 -1.503 5.735 1.731
164 HA LEU 28 HA LEU 28 -2.022 7.680 3.812
165 HB2 LEU 28 HB2 LEU 28 0.501 6.094 3.314
166 HB3 LEU 28 HB3 LEU 28 0.080 6.942 4.781
167 HG LEU 28 HG LEU 28 -1.169 4.410 3.724
168 HD11 LEU 28 HD11 LEU 28 0.980 4.151 4.792
169 HD12 LEU 28 HD12 LEU 28 -0.305 3.446 5.769
170 HD13 LEU 28 HD13 LEU 28 0.399 5.004 6.219
171 HD21 LEU 28 HD21 LEU 28 -1.898 6.010 6.157
172 HD22 LEU 28 HD22 LEU 28 -2.514 4.406 5.751
173 HD23 LEU 28 HD23 LEU 28 -2.898 5.790 4.716
174 H ASN 29 H ASN 29 0.056 7.151 1.082
175 HA ASN 29 HA ASN 29 0.661 9.953 0.846
176 HB2 ASN 29 HB2 ASN 29 2.749 7.731 0.950
177 HB3 ASN 29 HB3 ASN 29 3.070 9.377 0.427
178 HD21 ASN 29 HD21 ASN 29 2.572 7.274 3.101
179 HD22 ASN 29 HD22 ASN 29 2.945 8.421 4.332
180 HA PRO 30 HA PRO 30 -0.041 8.819 -3.365
181 HB2 PRO 30 HB2 PRO 30 2.325 9.751 -4.612
182 HB3 PRO 30 HB3 PRO 30 0.743 10.509 -4.605
183 HG2 PRO 30 HG2 PRO 30 3.054 11.395 -3.268
184 HG3 PRO 30 HG3 PRO 30 1.417 12.044 -3.091
185 HD2 PRO 30 HD2 PRO 30 2.977 10.401 -1.273
186 HD3 PRO 30 HD3 PRO 30 1.464 11.264 -0.967
187 H TYR 31 H TYR 31 3.322 8.123 -2.420
188 HA TYR 31 HA TYR 31 3.298 5.999 -4.403
189 HB2 TYR 31 HB2 TYR 31 5.619 7.001 -2.717
190 HB3 TYR 31 HB3 TYR 31 5.708 5.791 -3.984
191 HD1 TYR 31 HD1 TYR 31 6.034 6.417 -6.203
192 HD2 TYR 31 HD2 TYR 31 4.877 9.374 -3.385
193 HE1 TYR 31 HE1 TYR 31 6.373 8.152 -7.887
194 HE2 TYR 31 HE2 TYR 31 5.225 11.124 -5.065
195 HH TYR 31 HH TYR 31 5.709 10.333 -8.388
196 H TYR 32 H TYR 32 3.297 6.501 -0.951
197 HA TYR 32 HA TYR 32 3.267 3.594 -0.679
198 HB2 TYR 32 HB2 TYR 32 4.861 4.820 0.794
199 HB3 TYR 32 HB3 TYR 32 3.486 5.596 1.576
200 HD1 TYR 32 HD1 TYR 32 4.912 2.254 0.806
201 HD2 TYR 32 HD2 TYR 32 2.399 4.522 3.383
202 HE1 TYR 32 HE1 TYR 32 4.668 0.300 2.272
203 HE2 TYR 32 HE2 TYR 32 2.159 2.558 4.859
204 HH TYR 32 HH TYR 32 4.108 -0.172 4.590
205 H SER 33 H SER 33 1.402 2.681 -0.745
206 HA SER 33 HA SER 33 -0.801 3.905 0.728
207 HB2 SER 33 HB2 SER 33 -0.998 2.280 -1.838
208 HB3 SER 33 HB3 SER 33 -2.342 2.944 -0.922
209 HG SER 33 HG SER 33 -0.652 4.941 -1.427
210 H GLN 34 H GLN 34 -1.710 2.505 2.183
211 HA GLN 34 HA GLN 34 -0.466 -0.157 2.270
212 HB2 GLN 34 HB2 GLN 34 0.352 1.556 3.941
213 HB3 GLN 34 HB3 GLN 34 -1.262 1.535 4.626
214 HG2 GLN 34 HG2 GLN 34 -1.033 -0.826 5.125
215 HG3 GLN 34 HG3 GLN 34 0.591 -0.817 4.433
216 HE21 GLN 34 HE21 GLN 34 1.631 -1.354 6.288
217 HE22 GLN 34 HE22 GLN 34 1.772 -0.281 7.632
218 H CYS 35 H CYS 35 -1.814 -1.827 2.890
219 HA CYS 35 HA CYS 35 -4.611 -1.206 2.583
220 HB2 CYS 35 HB2 CYS 35 -3.455 -3.202 1.463
221 HB3 CYS 35 HB3 CYS 35 -3.486 -3.945 3.056
222 H LEU 36 H LEU 36 -5.797 -0.733 4.209
223 HA LEU 36 HA LEU 36 -5.229 -1.881 6.823
224 HB2 LEU 36 HB2 LEU 36 -6.140 0.925 6.188
225 HB3 LEU 36 HB3 LEU 36 -5.930 0.264 7.794
226 HG LEU 36 HG LEU 36 -3.728 0.722 5.783
227 HD11 LEU 36 HD11 LEU 36 -4.606 2.806 6.678
228 HD12 LEU 36 HD12 LEU 36 -2.988 2.487 7.302
229 HD13 LEU 36 HD13 LEU 36 -4.397 2.203 8.322
230 HD21 LEU 36 HD21 LEU 36 -3.600 -0.252 8.639
231 HD22 LEU 36 HD22 LEU 36 -2.209 0.212 7.662
232 HD23 LEU 36 HD23 LEU 36 -3.193 -1.168 7.187
233 H1 MAN 101 H1 MAN 101 1.539 -9.468 4.211
234 H2 MAN 101 H2 MAN 101 2.422 -7.223 2.339
235 H3 MAN 101 H3 MAN 101 4.630 -7.721 2.961
236 H4 MAN 101 H4 MAN 101 4.919 -10.036 1.922
237 H5 MAN 101 H5 MAN 101 2.745 -11.103 1.108
238 H61 MAN 101 H61 MAN 101 3.168 -10.886 4.122
239 H62 MAN 101 H62 MAN 101 3.756 -12.158 3.038
240 HO2 MAN 101 HO2 MAN 101 1.618 -6.734 4.391
241 HO3 MAN 101 HO3 MAN 101 4.032 -8.526 5.026
242 HO4 MAN 101 HO4 MAN 101 4.489 -8.110 0.655
243 HO6 MAN 101 HO6 MAN 101 1.008 -11.789 2.907
Start of MODEL 15
1 H1 THR 1 H1 THR 1 -3.731 -11.801 -4.092
2 H2 THR 1 H2 THR 1 -2.785 -11.909 -2.700
3 H3 THR 1 H3 THR 1 -2.255 -10.942 -3.989
4 HA THR 1 HA THR 1 -4.185 -9.532 -3.563
5 HB THR 1 HB THR 1 -5.166 -10.008 -1.227
6 HG1 THR 1 HG1 THR 1 -5.177 -12.347 -0.829
7 HG21 THR 1 HG21 THR 1 -6.889 -11.500 -2.189
8 HG22 THR 1 HG22 THR 1 -5.844 -11.780 -3.582
9 HG23 THR 1 HG23 THR 1 -6.486 -10.169 -3.272
10 H ALA 2 H ALA 2 -4.061 -7.880 -1.946
11 HA ALA 2 HA ALA 2 -1.425 -7.646 -0.748
12 HB1 ALA 2 HB1 ALA 2 -3.679 -5.655 -1.092
13 HB2 ALA 2 HB2 ALA 2 -2.238 -5.772 -2.101
14 HB3 ALA 2 HB3 ALA 2 -2.095 -5.292 -0.407
15 H SER 3 H SER 3 -1.172 -7.741 1.398
16 HA SER 3 HA SER 3 -3.480 -8.609 2.888
17 HB2 SER 3 HB2 SER 3 -1.736 -9.345 4.531
18 HB3 SER 3 HB3 SER 3 -1.665 -10.131 2.955
19 H HIS 4 H HIS 4 -3.530 -8.009 5.154
20 HA HIS 4 HA HIS 4 -3.918 -5.261 5.502
21 HB2 HIS 4 HB2 HIS 4 -4.968 -7.270 6.720
22 HB3 HIS 4 HB3 HIS 4 -3.508 -7.289 7.684
23 HD1 HIS 4 HD1 HIS 4 -5.404 -6.939 9.583
24 HD2 HIS 4 HD2 HIS 4 -4.615 -3.718 7.110
25 HE1 HIS 4 HE1 HIS 4 -6.404 -4.947 10.744
26 HE2 HIS 4 HE2 HIS 4 -6.327 -3.208 8.947
27 H TYR 5 H TYR 5 -2.487 -3.723 5.909
28 HA TYR 5 HA TYR 5 -0.783 -2.541 6.625
29 HB2 TYR 5 HB2 TYR 5 0.115 -4.993 8.136
30 HB3 TYR 5 HB3 TYR 5 0.996 -3.468 8.175
31 HD1 TYR 5 HD1 TYR 5 -0.084 -1.472 9.168
32 HD2 TYR 5 HD2 TYR 5 -1.869 -5.326 9.402
33 HE1 TYR 5 HE1 TYR 5 -1.542 -0.683 10.970
34 HE2 TYR 5 HE2 TYR 5 -3.331 -4.537 11.214
35 HH TYR 5 HH TYR 5 -3.457 -2.840 12.826
36 H GLY 6 H GLY 6 -0.697 -4.707 4.375
37 HA2 GLY 6 HA2 GLY 6 2.115 -4.295 3.699
38 HA3 GLY 6 HA3 GLY 6 0.977 -5.347 2.854
39 H GLN 7 H GLN 7 2.626 -3.407 1.574
40 HA GLN 7 HA GLN 7 1.066 -1.119 0.956
41 HB2 GLN 7 HB2 GLN 7 3.538 -1.169 0.704
42 HB3 GLN 7 HB3 GLN 7 3.380 -2.377 -0.564
43 HG2 GLN 7 HG2 GLN 7 2.269 -0.723 -1.988
44 HG3 GLN 7 HG3 GLN 7 2.369 0.463 -0.687
45 HE21 GLN 7 HE21 GLN 7 3.667 1.904 -2.027
46 HE22 GLN 7 HE22 GLN 7 5.295 1.514 -2.327
47 H CYS 8 H CYS 8 -0.496 -0.903 -0.491
48 HA CYS 8 HA CYS 8 -1.245 -3.328 -2.012
49 HB2 CYS 8 HB2 CYS 8 -3.567 -2.560 -1.640
50 HB3 CYS 8 HB3 CYS 8 -2.683 -3.000 -0.172
51 H GLY 9 H GLY 9 -0.035 -0.361 -2.703
52 HA2 GLY 9 HA2 GLY 9 -0.515 -0.341 -5.359
53 HA3 GLY 9 HA3 GLY 9 -2.029 0.265 -4.709
54 H GLY 10 H GLY 10 1.414 0.844 -4.746
55 HA2 GLY 10 HA2 GLY 10 0.808 3.686 -4.401
56 HA3 GLY 10 HA3 GLY 10 2.375 2.932 -4.088
57 H ILE 11 H ILE 11 2.192 5.118 -5.721
58 HA ILE 11 HA ILE 11 2.019 4.460 -8.445
59 HB ILE 11 HB ILE 11 3.588 6.640 -7.060
60 HG12 ILE 11 HG12 ILE 11 0.866 6.684 -8.394
61 HG13 ILE 11 HG13 ILE 11 1.183 6.717 -6.666
62 HG21 ILE 11 HG21 ILE 11 3.628 7.767 -9.285
63 HG22 ILE 11 HG22 ILE 11 2.842 6.350 -9.988
64 HG23 ILE 11 HG23 ILE 11 4.466 6.212 -9.325
65 HD11 ILE 11 HD11 ILE 11 2.269 8.873 -6.887
66 HD12 ILE 11 HD12 ILE 11 0.621 8.915 -7.513
67 HD13 ILE 11 HD13 ILE 11 1.987 8.849 -8.629
68 H GLY 12 H GLY 12 3.256 3.175 -9.564
69 HA2 GLY 12 HA2 GLY 12 5.296 2.456 -10.494
70 HA3 GLY 12 HA3 GLY 12 6.145 3.089 -9.088
71 H TYR 13 H TYR 13 3.815 1.619 -7.606
72 HA TYR 13 HA TYR 13 5.417 -0.699 -7.035
73 HB2 TYR 13 HB2 TYR 13 4.397 0.490 -5.192
74 HB3 TYR 13 HB3 TYR 13 2.796 0.274 -5.872
75 HD1 TYR 13 HD1 TYR 13 5.693 -1.917 -4.982
76 HD2 TYR 13 HD2 TYR 13 1.513 -1.249 -4.739
77 HE1 TYR 13 HE1 TYR 13 5.464 -3.924 -3.592
78 HE2 TYR 13 HE2 TYR 13 1.270 -3.259 -3.357
79 HH TYR 13 HH TYR 13 2.323 -5.146 -2.704
80 H SER 14 H SER 14 5.349 -2.330 -8.356
81 HA SER 14 HA SER 14 2.964 -2.984 -9.838
82 HB2 SER 14 HB2 SER 14 4.670 -4.642 -10.857
83 HB3 SER 14 HB3 SER 14 4.845 -2.916 -11.195
84 HG SER 14 HG SER 14 6.817 -3.799 -10.603
85 H GLY 15 H GLY 15 3.826 -3.667 -6.861
86 HA2 GLY 15 HA2 GLY 15 3.618 -6.550 -6.817
87 HA3 GLY 15 HA3 GLY 15 3.645 -5.500 -5.407
88 HA PRO 16 HA PRO 16 -0.594 -7.594 -5.739
89 HB2 PRO 16 HB2 PRO 16 -0.699 -7.444 -2.935
90 HB3 PRO 16 HB3 PRO 16 -0.252 -8.868 -3.875
91 HG2 PRO 16 HG2 PRO 16 1.529 -6.767 -2.670
92 HG3 PRO 16 HG3 PRO 16 1.738 -8.538 -2.669
93 HD2 PRO 16 HD2 PRO 16 3.130 -7.084 -4.293
94 HD3 PRO 16 HD3 PRO 16 2.324 -8.528 -4.948
95 H THR 17 H THR 17 -2.390 -6.373 -5.876
96 HA THR 17 HA THR 17 -2.360 -3.787 -4.511
97 HB THR 17 HB THR 17 -3.650 -2.978 -6.614
98 HG1 THR 17 HG1 THR 17 -2.213 -5.237 -7.617
99 HG21 THR 17 HG21 THR 17 -1.514 -2.358 -7.682
100 HG22 THR 17 HG22 THR 17 -0.681 -3.560 -6.701
101 HG23 THR 17 HG23 THR 17 -1.437 -2.162 -5.933
102 H VAL 18 H VAL 18 -4.273 -6.550 -5.336
103 HA VAL 18 HA VAL 18 -6.752 -5.223 -4.553
104 HB VAL 18 HB VAL 18 -6.284 -8.128 -5.313
105 HG11 VAL 18 HG11 VAL 18 -8.717 -8.219 -5.653
106 HG12 VAL 18 HG12 VAL 18 -8.854 -6.557 -5.090
107 HG13 VAL 18 HG13 VAL 18 -8.307 -7.815 -3.984
108 HG21 VAL 18 HG21 VAL 18 -7.245 -7.534 -7.501
109 HG22 VAL 18 HG22 VAL 18 -5.743 -6.665 -7.182
110 HG23 VAL 18 HG23 VAL 18 -7.292 -5.841 -7.008
111 H CYS 19 H CYS 19 -7.334 -5.169 -2.465
112 HA CYS 19 HA CYS 19 -5.827 -6.612 -0.504
113 HB2 CYS 19 HB2 CYS 19 -8.166 -4.708 -0.235
114 HB3 CYS 19 HB3 CYS 19 -7.412 -5.551 1.105
115 H ALA 20 H ALA 20 -6.906 -7.725 1.274
116 HA ALA 20 HA ALA 20 -8.574 -9.837 0.289
117 HB1 ALA 20 HB1 ALA 20 -7.457 -9.227 3.032
118 HB2 ALA 20 HB2 ALA 20 -6.750 -10.314 1.839
119 HB3 ALA 20 HB3 ALA 20 -8.300 -10.707 2.585
120 H SER 21 H SER 21 -10.507 -10.440 1.716
121 HA SER 21 HA SER 21 -12.286 -8.254 1.657
122 HB2 SER 21 HB2 SER 21 -12.656 -11.055 2.734
123 HB3 SER 21 HB3 SER 21 -13.957 -9.909 2.376
124 HG SER 21 HG SER 21 -12.983 -9.828 0.213
125 H GLY 22 H GLY 22 -12.620 -6.800 3.166
126 HA2 GLY 22 HA2 GLY 22 -13.183 -6.276 5.444
127 HA3 GLY 22 HA3 GLY 22 -12.017 -7.489 5.961
128 H THR 23 H THR 23 -10.330 -6.383 3.633
129 HA THR 23 HA THR 23 -9.235 -4.176 5.220
130 HB THR 23 HB THR 23 -7.036 -4.691 4.040
131 HG1 THR 23 HG1 THR 23 -8.632 -6.509 2.799
132 HG21 THR 23 HG21 THR 23 -8.247 -6.822 5.783
133 HG22 THR 23 HG22 THR 23 -7.429 -5.360 6.343
134 HG23 THR 23 HG23 THR 23 -6.527 -6.612 5.480
135 H THR 24 H THR 24 -8.471 -2.289 4.201
136 HA THR 24 HA THR 24 -9.489 -1.943 1.489
137 HB THR 24 HB THR 24 -9.992 0.454 2.221
138 HG1 THR 24 HG1 THR 24 -9.114 -0.598 4.611
139 HG21 THR 24 HG21 THR 24 -11.767 -1.198 1.788
140 HG22 THR 24 HG22 THR 24 -12.200 -0.133 3.119
141 HG23 THR 24 HG23 THR 24 -11.639 -1.774 3.450
142 H CYS 25 H CYS 25 -8.162 -0.914 0.120
143 HA CYS 25 HA CYS 25 -5.457 -0.501 0.971
144 HB2 CYS 25 HB2 CYS 25 -6.064 -1.407 -1.294
145 HB3 CYS 25 HB3 CYS 25 -6.720 0.188 -1.676
146 H GLN 26 H GLN 26 -4.922 1.313 2.050
147 HA GLN 26 HA GLN 26 -6.374 3.686 1.296
148 HB2 GLN 26 HB2 GLN 26 -5.177 2.879 3.929
149 HB3 GLN 26 HB3 GLN 26 -5.852 4.465 3.587
150 HG2 GLN 26 HG2 GLN 26 -8.034 3.433 3.119
151 HG3 GLN 26 HG3 GLN 26 -7.348 1.850 3.453
152 HE21 GLN 26 HE21 GLN 26 -8.815 1.460 5.106
153 HE22 GLN 26 HE22 GLN 26 -8.693 2.255 6.627
154 H VAL 27 H VAL 27 -5.263 5.090 0.267
155 HA VAL 27 HA VAL 27 -2.451 4.974 -0.053
156 HB VAL 27 HB VAL 27 -4.417 7.174 -0.793
157 HG11 VAL 27 HG11 VAL 27 -1.604 6.704 -1.771
158 HG12 VAL 27 HG12 VAL 27 -2.123 8.012 -0.710
159 HG13 VAL 27 HG13 VAL 27 -2.712 7.937 -2.373
160 HG21 VAL 27 HG21 VAL 27 -3.296 4.909 -2.428
161 HG22 VAL 27 HG22 VAL 27 -4.270 6.236 -3.059
162 HG23 VAL 27 HG23 VAL 27 -4.968 5.101 -1.900
163 H LEU 28 H LEU 28 -1.180 5.460 1.559
164 HA LEU 28 HA LEU 28 -1.956 7.374 3.593
165 HB2 LEU 28 HB2 LEU 28 0.581 5.774 3.266
166 HB3 LEU 28 HB3 LEU 28 0.144 6.689 4.695
167 HG LEU 28 HG LEU 28 -1.162 4.164 3.664
168 HD11 LEU 28 HD11 LEU 28 0.931 3.816 4.777
169 HD12 LEU 28 HD12 LEU 28 -0.404 3.222 5.769
170 HD13 LEU 28 HD13 LEU 28 0.383 4.748 6.169
171 HD21 LEU 28 HD21 LEU 28 -2.883 5.607 4.603
172 HD22 LEU 28 HD22 LEU 28 -1.881 5.824 6.054
173 HD23 LEU 28 HD23 LEU 28 -2.523 4.231 5.659
174 H ASN 29 H ASN 29 0.475 6.868 1.148
175 HA ASN 29 HA ASN 29 1.028 9.741 0.998
176 HB2 ASN 29 HB2 ASN 29 3.077 7.479 0.902
177 HB3 ASN 29 HB3 ASN 29 3.405 9.183 0.605
178 HD21 ASN 29 HD21 ASN 29 4.450 7.288 2.600
179 HD22 ASN 29 HD22 ASN 29 4.181 8.033 4.131
180 HA PRO 30 HA PRO 30 0.277 8.924 -3.251
181 HB2 PRO 30 HB2 PRO 30 2.650 9.822 -4.496
182 HB3 PRO 30 HB3 PRO 30 1.120 10.680 -4.368
183 HG2 PRO 30 HG2 PRO 30 3.560 11.238 -3.014
184 HG3 PRO 30 HG3 PRO 30 2.013 12.076 -2.829
185 HD2 PRO 30 HD2 PRO 30 3.340 10.266 -1.044
186 HD3 PRO 30 HD3 PRO 30 1.852 11.162 -0.748
187 H TYR 31 H TYR 31 3.466 7.941 -2.245
188 HA TYR 31 HA TYR 31 3.439 5.883 -4.326
189 HB2 TYR 31 HB2 TYR 31 5.615 6.644 -2.380
190 HB3 TYR 31 HB3 TYR 31 5.750 5.405 -3.618
191 HD1 TYR 31 HD1 TYR 31 5.630 8.997 -2.953
192 HD2 TYR 31 HD2 TYR 31 6.006 6.013 -5.951
193 HE1 TYR 31 HE1 TYR 31 6.444 10.691 -4.524
194 HE2 TYR 31 HE2 TYR 31 6.823 7.696 -7.537
195 HH TYR 31 HH TYR 31 7.750 10.811 -6.478
196 H TYR 32 H TYR 32 3.048 6.304 -0.872
197 HA TYR 32 HA TYR 32 3.195 3.406 -0.586
198 HB2 TYR 32 HB2 TYR 32 4.738 4.696 0.854
199 HB3 TYR 32 HB3 TYR 32 3.347 5.435 1.644
200 HD1 TYR 32 HD1 TYR 32 4.852 2.107 0.888
201 HD2 TYR 32 HD2 TYR 32 2.455 4.407 3.530
202 HE1 TYR 32 HE1 TYR 32 4.792 0.219 2.454
203 HE2 TYR 32 HE2 TYR 32 2.364 2.526 5.109
204 HH TYR 32 HH TYR 32 2.687 0.170 5.202
205 H SER 33 H SER 33 1.348 2.440 -0.678
206 HA SER 33 HA SER 33 -0.940 3.649 0.680
207 HB2 SER 33 HB2 SER 33 -0.941 1.823 -1.757
208 HB3 SER 33 HB3 SER 33 -2.364 2.534 -1.008
209 HG SER 33 HG SER 33 -1.176 3.551 -2.938
210 H GLN 34 H GLN 34 -1.782 2.327 2.246
211 HA GLN 34 HA GLN 34 -0.604 -0.355 2.378
212 HB2 GLN 34 HB2 GLN 34 0.449 1.210 3.992
213 HB3 GLN 34 HB3 GLN 34 -1.138 1.502 4.690
214 HG2 GLN 34 HG2 GLN 34 -1.306 -0.809 5.356
215 HG3 GLN 34 HG3 GLN 34 0.249 -1.160 4.605
216 HE21 GLN 34 HE21 GLN 34 -1.347 0.252 7.262
217 HE22 GLN 34 HE22 GLN 34 0.055 0.524 8.237
218 H CYS 35 H CYS 35 -1.977 -1.950 2.914
219 HA CYS 35 HA CYS 35 -4.747 -1.239 2.737
220 HB2 CYS 35 HB2 CYS 35 -3.679 -3.241 1.585
221 HB3 CYS 35 HB3 CYS 35 -3.692 -4.027 3.171
222 H LEU 36 H LEU 36 -5.979 -0.840 4.338
223 HA LEU 36 HA LEU 36 -5.223 -1.725 7.009
224 HB2 LEU 36 HB2 LEU 36 -6.436 0.865 6.079
225 HB3 LEU 36 HB3 LEU 36 -6.359 0.385 7.759
226 HG LEU 36 HG LEU 36 -3.935 0.781 5.997
227 HD11 LEU 36 HD11 LEU 36 -5.090 2.892 6.379
228 HD12 LEU 36 HD12 LEU 36 -3.581 2.827 7.294
229 HD13 LEU 36 HD13 LEU 36 -5.125 2.565 8.109
230 HD21 LEU 36 HD21 LEU 36 -4.304 0.252 8.921
231 HD22 LEU 36 HD22 LEU 36 -2.804 0.825 8.235
232 HD23 LEU 36 HD23 LEU 36 -3.437 -0.763 7.764
233 H1 MAN 101 H1 MAN 101 0.560 -10.108 4.683
234 H2 MAN 101 H2 MAN 101 2.285 -8.317 4.211
235 H3 MAN 101 H3 MAN 101 1.894 -8.073 1.794
236 H4 MAN 101 H4 MAN 101 3.065 -10.868 1.653
237 H5 MAN 101 H5 MAN 101 0.235 -9.836 1.049
238 H61 MAN 101 H61 MAN 101 -0.356 -12.215 0.789
239 H62 MAN 101 H62 MAN 101 1.350 -12.693 0.974
240 HO2 MAN 101 HO2 MAN 101 2.899 -10.425 4.964
241 HO3 MAN 101 HO3 MAN 101 4.421 -9.241 2.417
242 HO4 MAN 101 HO4 MAN 101 3.582 -9.366 0.003
243 HO6 MAN 101 HO6 MAN 101 1.579 -10.995 -0.796
Start of MODEL 16
1 H1 THR 1 H1 THR 1 -3.009 -11.354 -3.713
2 H2 THR 1 H2 THR 1 -4.637 -11.737 -4.013
3 H3 THR 1 H3 THR 1 -4.002 -11.871 -2.452
4 HA THR 1 HA THR 1 -4.337 -9.381 -3.932
5 HB THR 1 HB THR 1 -5.891 -9.010 -1.883
6 HG1 THR 1 HG1 THR 1 -6.887 -11.194 -1.416
7 HG21 THR 1 HG21 THR 1 -7.799 -10.013 -3.106
8 HG22 THR 1 HG22 THR 1 -6.652 -10.854 -4.157
9 HG23 THR 1 HG23 THR 1 -6.723 -9.095 -4.155
10 H ALA 2 H ALA 2 -4.220 -7.548 -2.244
11 HA ALA 2 HA ALA 2 -1.606 -7.528 -1.201
12 HB1 ALA 2 HB1 ALA 2 -3.833 -5.540 -0.741
13 HB2 ALA 2 HB2 ALA 2 -2.709 -5.526 -2.102
14 HB3 ALA 2 HB3 ALA 2 -2.113 -5.274 -0.463
15 H SER 3 H SER 3 -1.081 -6.926 0.981
16 HA SER 3 HA SER 3 -2.477 -8.637 2.873
17 HB2 SER 3 HB2 SER 3 -0.197 -8.499 3.963
18 HB3 SER 3 HB3 SER 3 -0.271 -9.333 2.401
19 H HIS 4 H HIS 4 -2.516 -7.881 5.124
20 HA HIS 4 HA HIS 4 -3.409 -5.175 5.296
21 HB2 HIS 4 HB2 HIS 4 -4.297 -7.166 6.647
22 HB3 HIS 4 HB3 HIS 4 -2.832 -7.046 7.604
23 HD1 HIS 4 HD1 HIS 4 -4.130 -6.443 9.754
24 HD2 HIS 4 HD2 HIS 4 -4.782 -3.827 6.616
25 HE1 HIS 4 HE1 HIS 4 -5.420 -4.537 10.727
26 HE2 HIS 4 HE2 HIS 4 -6.120 -3.220 8.721
27 H TYR 5 H TYR 5 -2.294 -3.438 5.831
28 HA TYR 5 HA TYR 5 -0.707 -2.037 6.487
29 HB2 TYR 5 HB2 TYR 5 0.592 -4.412 7.818
30 HB3 TYR 5 HB3 TYR 5 1.322 -2.819 7.800
31 HD1 TYR 5 HD1 TYR 5 -1.312 -4.906 9.191
32 HD2 TYR 5 HD2 TYR 5 0.363 -1.010 9.089
33 HE1 TYR 5 HE1 TYR 5 -2.520 -4.336 11.245
34 HE2 TYR 5 HE2 TYR 5 -0.842 -0.426 11.136
35 HH TYR 5 HH TYR 5 -2.846 -1.180 12.359
36 H GLY 6 H GLY 6 -0.441 -4.327 4.290
37 HA2 GLY 6 HA2 GLY 6 2.271 -3.762 3.491
38 HA3 GLY 6 HA3 GLY 6 1.120 -4.824 2.677
39 H GLN 7 H GLN 7 2.630 -3.103 1.261
40 HA GLN 7 HA GLN 7 1.209 -0.681 0.722
41 HB2 GLN 7 HB2 GLN 7 3.685 -1.103 0.322
42 HB3 GLN 7 HB3 GLN 7 3.199 -2.149 -1.005
43 HG2 GLN 7 HG2 GLN 7 2.182 -0.278 -2.150
44 HG3 GLN 7 HG3 GLN 7 2.596 0.790 -0.809
45 HE21 GLN 7 HE21 GLN 7 3.927 2.140 -2.127
46 HE22 GLN 7 HE22 GLN 7 5.425 1.585 -2.665
47 H CYS 8 H CYS 8 -0.602 -0.597 -0.467
48 HA CYS 8 HA CYS 8 -1.324 -3.038 -1.948
49 HB2 CYS 8 HB2 CYS 8 -3.623 -2.259 -1.749
50 HB3 CYS 8 HB3 CYS 8 -2.833 -2.555 -0.195
51 H GLY 9 H GLY 9 -0.299 0.068 -2.624
52 HA2 GLY 9 HA2 GLY 9 -0.580 -0.143 -5.358
53 HA3 GLY 9 HA3 GLY 9 -2.111 0.508 -4.789
54 H GLY 10 H GLY 10 1.268 1.043 -4.066
55 HA2 GLY 10 HA2 GLY 10 0.733 3.907 -4.361
56 HA3 GLY 10 HA3 GLY 10 2.051 3.219 -3.404
57 H ILE 11 H ILE 11 2.536 5.096 -5.399
58 HA ILE 11 HA ILE 11 3.241 3.964 -7.853
59 HB ILE 11 HB ILE 11 4.620 6.276 -6.437
60 HG12 ILE 11 HG12 ILE 11 2.372 6.320 -8.466
61 HG13 ILE 11 HG13 ILE 11 2.153 6.559 -6.737
62 HG21 ILE 11 HG21 ILE 11 5.317 6.950 -8.704
63 HG22 ILE 11 HG22 ILE 11 4.548 5.504 -9.360
64 HG23 ILE 11 HG23 ILE 11 5.934 5.347 -8.288
65 HD11 ILE 11 HD11 ILE 11 2.150 8.673 -7.937
66 HD12 ILE 11 HD12 ILE 11 3.750 8.317 -8.589
67 HD13 ILE 11 HD13 ILE 11 3.541 8.574 -6.858
68 H GLY 12 H GLY 12 4.595 2.427 -8.253
69 HA2 GLY 12 HA2 GLY 12 6.951 1.729 -8.249
70 HA3 GLY 12 HA3 GLY 12 6.951 2.060 -6.518
71 H TYR 13 H TYR 13 4.177 0.927 -6.377
72 HA TYR 13 HA TYR 13 5.025 -1.800 -5.849
73 HB2 TYR 13 HB2 TYR 13 3.677 -0.612 -4.185
74 HB3 TYR 13 HB3 TYR 13 2.395 -0.382 -5.359
75 HD1 TYR 13 HD1 TYR 13 4.304 -3.080 -3.630
76 HD2 TYR 13 HD2 TYR 13 0.642 -1.896 -5.419
77 HE1 TYR 13 HE1 TYR 13 3.255 -5.166 -2.849
78 HE2 TYR 13 HE2 TYR 13 -0.415 -3.975 -4.655
79 HH TYR 13 HH TYR 13 -0.030 -5.995 -3.804
80 H SER 14 H SER 14 4.764 -3.417 -7.272
81 HA SER 14 HA SER 14 2.821 -3.006 -9.430
82 HB2 SER 14 HB2 SER 14 4.397 -4.512 -10.702
83 HB3 SER 14 HB3 SER 14 5.014 -2.904 -10.311
84 HG SER 14 HG SER 14 6.564 -3.858 -9.366
85 H GLY 15 H GLY 15 2.892 -4.442 -6.685
86 HA2 GLY 15 HA2 GLY 15 2.331 -7.178 -7.413
87 HA3 GLY 15 HA3 GLY 15 2.232 -6.476 -5.800
88 HA PRO 16 HA PRO 16 -2.182 -7.329 -7.210
89 HB2 PRO 16 HB2 PRO 16 -2.718 -8.178 -4.623
90 HB3 PRO 16 HB3 PRO 16 -2.314 -9.264 -5.958
91 HG2 PRO 16 HG2 PRO 16 -0.484 -8.058 -3.891
92 HG3 PRO 16 HG3 PRO 16 -0.576 -9.761 -4.419
93 HD2 PRO 16 HD2 PRO 16 1.308 -8.231 -5.304
94 HD3 PRO 16 HD3 PRO 16 0.405 -9.212 -6.481
95 H THR 17 H THR 17 -3.195 -5.354 -7.164
96 HA THR 17 HA THR 17 -2.765 -3.606 -4.888
97 HB THR 17 HB THR 17 -3.903 -1.910 -6.318
98 HG1 THR 17 HG1 THR 17 -3.505 -3.646 -8.504
99 HG21 THR 17 HG21 THR 17 -2.001 -1.615 -7.870
100 HG22 THR 17 HG22 THR 17 -1.468 -3.258 -7.507
101 HG23 THR 17 HG23 THR 17 -1.468 -2.031 -6.243
102 H VAL 18 H VAL 18 -4.997 -5.895 -5.704
103 HA VAL 18 HA VAL 18 -7.188 -4.514 -4.356
104 HB VAL 18 HB VAL 18 -7.087 -7.322 -5.542
105 HG11 VAL 18 HG11 VAL 18 -9.439 -5.784 -4.447
106 HG12 VAL 18 HG12 VAL 18 -8.687 -7.201 -3.717
107 HG13 VAL 18 HG13 VAL 18 -9.518 -7.347 -5.265
108 HG21 VAL 18 HG21 VAL 18 -6.972 -5.598 -7.260
109 HG22 VAL 18 HG22 VAL 18 -8.403 -4.817 -6.584
110 HG23 VAL 18 HG23 VAL 18 -8.533 -6.420 -7.302
111 H CYS 19 H CYS 19 -7.709 -4.966 -2.269
112 HA CYS 19 HA CYS 19 -5.700 -6.337 -0.760
113 HB2 CYS 19 HB2 CYS 19 -8.121 -4.770 0.028
114 HB3 CYS 19 HB3 CYS 19 -7.115 -5.640 1.177
115 H ALA 20 H ALA 20 -6.355 -7.652 1.125
116 HA ALA 20 HA ALA 20 -7.764 -9.966 0.257
117 HB1 ALA 20 HB1 ALA 20 -7.097 -10.820 2.474
118 HB2 ALA 20 HB2 ALA 20 -6.498 -9.220 2.899
119 HB3 ALA 20 HB3 ALA 20 -5.730 -10.131 1.598
120 H SER 21 H SER 21 -9.439 -10.904 1.775
121 HA SER 21 HA SER 21 -11.605 -9.203 1.972
122 HB2 SER 21 HB2 SER 21 -12.377 -11.241 3.455
123 HB3 SER 21 HB3 SER 21 -12.194 -11.382 1.706
124 HG SER 21 HG SER 21 -10.335 -12.115 3.709
125 H GLY 22 H GLY 22 -11.965 -7.641 3.330
126 HA2 GLY 22 HA2 GLY 22 -12.584 -7.025 5.571
127 HA3 GLY 22 HA3 GLY 22 -11.258 -8.022 6.160
128 H THR 23 H THR 23 -9.758 -6.802 3.749
129 HA THR 23 HA THR 23 -8.922 -4.448 5.274
130 HB THR 23 HB THR 23 -6.679 -4.753 4.154
131 HG1 THR 23 HG1 THR 23 -8.096 -6.788 2.907
132 HG21 THR 23 HG21 THR 23 -7.073 -5.587 6.422
133 HG22 THR 23 HG22 THR 23 -5.998 -6.667 5.536
134 HG23 THR 23 HG23 THR 23 -7.691 -7.102 5.765
135 H THR 24 H THR 24 -8.366 -2.508 4.124
136 HA THR 24 HA THR 24 -9.411 -2.420 1.378
137 HB THR 24 HB THR 24 -10.344 -0.162 1.882
138 HG1 THR 24 HG1 THR 24 -9.338 -0.790 4.442
139 HG21 THR 24 HG21 THR 24 -12.308 -0.932 3.150
140 HG22 THR 24 HG22 THR 24 -11.421 -2.383 3.623
141 HG23 THR 24 HG23 THR 24 -11.819 -2.106 1.927
142 H CYS 25 H CYS 25 -8.319 -1.055 -0.042
143 HA CYS 25 HA CYS 25 -5.618 -0.448 0.741
144 HB2 CYS 25 HB2 CYS 25 -6.165 -1.387 -1.519
145 HB3 CYS 25 HB3 CYS 25 -6.997 0.126 -1.885
146 H GLN 26 H GLN 26 -5.139 1.379 1.795
147 HA GLN 26 HA GLN 26 -6.692 3.737 1.162
148 HB2 GLN 26 HB2 GLN 26 -5.413 2.832 3.733
149 HB3 GLN 26 HB3 GLN 26 -6.134 4.412 3.531
150 HG2 GLN 26 HG2 GLN 26 -8.311 3.332 3.057
151 HG3 GLN 26 HG3 GLN 26 -7.558 1.760 3.271
152 HE21 GLN 26 HE21 GLN 26 -8.932 1.208 4.907
153 HE22 GLN 26 HE22 GLN 26 -8.838 1.873 6.487
154 H VAL 27 H VAL 27 -5.533 5.077 -0.009
155 HA VAL 27 HA VAL 27 -2.693 4.996 -0.197
156 HB VAL 27 HB VAL 27 -4.661 7.077 -1.239
157 HG11 VAL 27 HG11 VAL 27 -1.748 6.711 -1.929
158 HG12 VAL 27 HG12 VAL 27 -2.439 8.053 -1.020
159 HG13 VAL 27 HG13 VAL 27 -2.858 7.829 -2.719
160 HG21 VAL 27 HG21 VAL 27 -3.258 4.811 -2.639
161 HG22 VAL 27 HG22 VAL 27 -4.296 6.006 -3.410
162 HG23 VAL 27 HG23 VAL 27 -4.978 4.868 -2.236
163 H LEU 28 H LEU 28 -1.499 5.572 1.458
164 HA LEU 28 HA LEU 28 -2.347 7.630 3.331
165 HB2 LEU 28 HB2 LEU 28 0.224 6.063 3.284
166 HB3 LEU 28 HB3 LEU 28 -0.384 7.016 4.617
167 HG LEU 28 HG LEU 28 -1.424 4.374 3.609
168 HD11 LEU 28 HD11 LEU 28 -0.232 5.226 6.225
169 HD12 LEU 28 HD12 LEU 28 0.566 4.272 4.979
170 HD13 LEU 28 HD13 LEU 28 -0.827 3.612 5.839
171 HD21 LEU 28 HD21 LEU 28 -3.021 4.458 5.412
172 HD22 LEU 28 HD22 LEU 28 -3.319 5.760 4.245
173 HD23 LEU 28 HD23 LEU 28 -2.530 6.109 5.796
174 H ASN 29 H ASN 29 0.099 7.021 0.919
175 HA ASN 29 HA ASN 29 0.777 9.837 0.784
176 HB2 ASN 29 HB2 ASN 29 2.790 7.554 1.031
177 HB3 ASN 29 HB3 ASN 29 3.210 9.213 0.636
178 HD21 ASN 29 HD21 ASN 29 2.419 6.986 3.133
179 HD22 ASN 29 HD22 ASN 29 2.662 8.053 4.456
180 HA PRO 30 HA PRO 30 0.464 8.776 -3.464
181 HB2 PRO 30 HB2 PRO 30 2.861 9.781 -4.570
182 HB3 PRO 30 HB3 PRO 30 1.287 10.562 -4.545
183 HG2 PRO 30 HG2 PRO 30 3.607 11.277 -3.072
184 HG3 PRO 30 HG3 PRO 30 2.007 12.021 -2.985
185 HD2 PRO 30 HD2 PRO 30 3.333 10.259 -1.108
186 HD3 PRO 30 HD3 PRO 30 1.829 11.168 -0.899
187 H TYR 31 H TYR 31 3.699 8.015 -2.203
188 HA TYR 31 HA TYR 31 3.791 5.883 -4.192
189 HB2 TYR 31 HB2 TYR 31 5.894 6.728 -2.187
190 HB3 TYR 31 HB3 TYR 31 6.078 5.469 -3.388
191 HD1 TYR 31 HD1 TYR 31 5.480 9.124 -3.032
192 HD2 TYR 31 HD2 TYR 31 6.938 5.983 -5.496
193 HE1 TYR 31 HE1 TYR 31 6.427 10.780 -4.576
194 HE2 TYR 31 HE2 TYR 31 7.881 7.637 -7.054
195 HH TYR 31 HH TYR 31 8.241 10.873 -6.220
196 H TYR 32 H TYR 32 3.345 6.431 -0.755
197 HA TYR 32 HA TYR 32 3.249 3.536 -0.494
198 HB2 TYR 32 HB2 TYR 32 4.738 4.708 1.107
199 HB3 TYR 32 HB3 TYR 32 3.317 5.502 1.791
200 HD1 TYR 32 HD1 TYR 32 4.788 2.171 1.115
201 HD2 TYR 32 HD2 TYR 32 2.022 4.410 3.456
202 HE1 TYR 32 HE1 TYR 32 4.404 0.206 2.524
203 HE2 TYR 32 HE2 TYR 32 1.645 2.468 4.881
204 HH TYR 32 HH TYR 32 1.878 -0.228 4.429
205 H SER 33 H SER 33 1.399 2.678 -0.760
206 HA SER 33 HA SER 33 -0.931 3.945 0.518
207 HB2 SER 33 HB2 SER 33 -0.953 2.001 -1.833
208 HB3 SER 33 HB3 SER 33 -2.337 2.861 -1.158
209 HG SER 33 HG SER 33 -1.253 3.773 -3.123
210 H GLN 34 H GLN 34 -1.961 2.650 2.067
211 HA GLN 34 HA GLN 34 -0.642 0.060 2.488
212 HB2 GLN 34 HB2 GLN 34 0.060 1.749 4.095
213 HB3 GLN 34 HB3 GLN 34 -1.612 2.047 4.530
214 HG2 GLN 34 HG2 GLN 34 -1.802 -0.198 5.433
215 HG3 GLN 34 HG3 GLN 34 -0.147 -0.549 4.937
216 HE21 GLN 34 HE21 GLN 34 1.589 0.295 6.162
217 HE22 GLN 34 HE22 GLN 34 1.304 1.052 7.672
218 H CYS 35 H CYS 35 -1.927 -1.619 2.959
219 HA CYS 35 HA CYS 35 -4.752 -1.147 2.613
220 HB2 CYS 35 HB2 CYS 35 -3.543 -3.080 1.486
221 HB3 CYS 35 HB3 CYS 35 -3.443 -3.806 3.084
222 H LEU 36 H LEU 36 -6.062 -0.921 4.203
223 HA LEU 36 HA LEU 36 -5.374 -1.945 6.836
224 HB2 LEU 36 HB2 LEU 36 -6.656 0.678 6.101
225 HB3 LEU 36 HB3 LEU 36 -6.605 0.033 7.731
226 HG LEU 36 HG LEU 36 -4.168 0.724 6.088
227 HD11 LEU 36 HD11 LEU 36 -5.417 2.725 6.682
228 HD12 LEU 36 HD12 LEU 36 -3.927 2.619 7.614
229 HD13 LEU 36 HD13 LEU 36 -5.470 2.211 8.367
230 HD21 LEU 36 HD21 LEU 36 -3.785 -1.071 7.713
231 HD22 LEU 36 HD22 LEU 36 -4.459 -0.062 8.993
232 HD23 LEU 36 HD23 LEU 36 -2.967 0.411 8.186
233 H1 MAN 101 H1 MAN 101 2.261 -8.481 2.937
234 H2 MAN 101 H2 MAN 101 2.231 -6.140 0.972
235 H3 MAN 101 H3 MAN 101 3.384 -7.510 -0.478
236 H4 MAN 101 H4 MAN 101 4.383 -8.966 1.997
237 H5 MAN 101 H5 MAN 101 2.773 -10.025 -0.367
238 H61 MAN 101 H61 MAN 101 1.843 -11.538 1.345
239 H62 MAN 101 H62 MAN 101 2.876 -10.814 2.598
240 HO2 MAN 101 HO2 MAN 101 4.191 -5.809 2.141
241 HO3 MAN 101 HO3 MAN 101 5.615 -7.247 0.006
242 HO4 MAN 101 HO4 MAN 101 5.320 -10.311 0.403
243 HO6 MAN 101 HO6 MAN 101 3.482 -12.758 0.812
Start of MODEL 17
1 H1 THR 1 H1 THR 1 -4.307 -11.784 -3.951
2 H2 THR 1 H2 THR 1 -3.596 -11.932 -2.436
3 H3 THR 1 H3 THR 1 -2.775 -11.103 -3.647
4 HA THR 1 HA THR 1 -4.542 -9.437 -3.599
5 HB THR 1 HB THR 1 -5.982 -9.597 -1.477
6 HG1 THR 1 HG1 THR 1 -6.352 -11.885 -0.928
7 HG21 THR 1 HG21 THR 1 -6.435 -11.582 -3.717
8 HG22 THR 1 HG22 THR 1 -6.897 -9.880 -3.739
9 HG23 THR 1 HG23 THR 1 -7.672 -10.989 -2.609
10 H ALA 2 H ALA 2 -4.308 -7.623 -2.237
11 HA ALA 2 HA ALA 2 -1.729 -7.410 -1.127
12 HB1 ALA 2 HB1 ALA 2 -4.012 -5.443 -0.903
13 HB2 ALA 2 HB2 ALA 2 -2.858 -5.539 -2.232
14 HB3 ALA 2 HB3 ALA 2 -2.302 -5.126 -0.613
15 H SER 3 H SER 3 -1.145 -6.879 0.955
16 HA SER 3 HA SER 3 -2.641 -8.487 2.825
17 HB2 SER 3 HB2 SER 3 -0.379 -8.482 3.951
18 HB3 SER 3 HB3 SER 3 -0.514 -9.312 2.390
19 H HIS 4 H HIS 4 -2.789 -7.865 5.006
20 HA HIS 4 HA HIS 4 -3.565 -5.163 5.423
21 HB2 HIS 4 HB2 HIS 4 -4.598 -7.230 6.499
22 HB3 HIS 4 HB3 HIS 4 -3.169 -7.327 7.507
23 HD1 HIS 4 HD1 HIS 4 -4.514 -6.943 9.670
24 HD2 HIS 4 HD2 HIS 4 -4.927 -3.909 6.884
25 HE1 HIS 4 HE1 HIS 4 -5.663 -5.076 10.886
26 HE2 HIS 4 HE2 HIS 4 -6.224 -3.453 9.063
27 H TYR 5 H TYR 5 -2.236 -3.568 5.814
28 HA TYR 5 HA TYR 5 -0.587 -2.297 6.551
29 HB2 TYR 5 HB2 TYR 5 0.087 -4.625 8.363
30 HB3 TYR 5 HB3 TYR 5 1.129 -3.205 8.257
31 HD1 TYR 5 HD1 TYR 5 -2.340 -4.267 9.087
32 HD2 TYR 5 HD2 TYR 5 0.641 -1.260 9.449
33 HE1 TYR 5 HE1 TYR 5 -3.738 -3.075 10.717
34 HE2 TYR 5 HE2 TYR 5 -0.752 -0.065 11.081
35 HH TYR 5 HH TYR 5 -3.541 -1.494 12.459
36 H GLY 6 H GLY 6 -0.511 -4.233 4.360
37 HA2 GLY 6 HA2 GLY 6 2.342 -3.941 3.776
38 HA3 GLY 6 HA3 GLY 6 1.236 -5.089 3.003
39 H GLN 7 H GLN 7 2.790 -3.151 1.607
40 HA GLN 7 HA GLN 7 1.156 -0.959 0.868
41 HB2 GLN 7 HB2 GLN 7 3.613 -1.001 0.529
42 HB3 GLN 7 HB3 GLN 7 3.412 -2.277 -0.659
43 HG2 GLN 7 HG2 GLN 7 2.249 -0.793 -2.131
44 HG3 GLN 7 HG3 GLN 7 2.272 0.520 -0.965
45 HE21 GLN 7 HE21 GLN 7 3.558 1.948 -2.286
46 HE22 GLN 7 HE22 GLN 7 5.175 1.567 -2.646
47 H CYS 8 H CYS 8 -0.320 -0.790 -0.675
48 HA CYS 8 HA CYS 8 -1.106 -3.298 -2.033
49 HB2 CYS 8 HB2 CYS 8 -3.420 -2.415 -1.811
50 HB3 CYS 8 HB3 CYS 8 -2.615 -2.850 -0.299
51 H GLY 9 H GLY 9 -0.947 0.235 -2.379
52 HA2 GLY 9 HA2 GLY 9 -1.111 -0.063 -5.250
53 HA3 GLY 9 HA3 GLY 9 -2.547 0.644 -4.524
54 H GLY 10 H GLY 10 0.911 0.971 -4.172
55 HA2 GLY 10 HA2 GLY 10 0.516 3.880 -4.179
56 HA3 GLY 10 HA3 GLY 10 1.901 3.046 -3.468
57 H ILE 11 H ILE 11 1.982 5.129 -5.485
58 HA ILE 11 HA ILE 11 2.473 3.963 -8.009
59 HB ILE 11 HB ILE 11 3.696 6.508 -6.881
60 HG12 ILE 11 HG12 ILE 11 1.146 6.150 -8.489
61 HG13 ILE 11 HG13 ILE 11 1.223 6.517 -6.771
62 HG21 ILE 11 HG21 ILE 11 3.277 5.572 -9.722
63 HG22 ILE 11 HG22 ILE 11 4.815 5.652 -8.875
64 HG23 ILE 11 HG23 ILE 11 3.938 7.140 -9.249
65 HD11 ILE 11 HD11 ILE 11 2.287 8.656 -7.275
66 HD12 ILE 11 HD12 ILE 11 0.727 8.500 -8.084
67 HD13 ILE 11 HD13 ILE 11 2.222 8.281 -8.997
68 H GLY 12 H GLY 12 4.019 2.587 -8.472
69 HA2 GLY 12 HA2 GLY 12 6.451 2.224 -8.581
70 HA3 GLY 12 HA3 GLY 12 6.506 2.701 -6.894
71 H TYR 13 H TYR 13 3.803 1.099 -6.806
72 HA TYR 13 HA TYR 13 5.127 -1.370 -6.022
73 HB2 TYR 13 HB2 TYR 13 3.652 -0.269 -4.388
74 HB3 TYR 13 HB3 TYR 13 2.308 -0.391 -5.511
75 HD1 TYR 13 HD1 TYR 13 0.811 -2.094 -5.147
76 HD2 TYR 13 HD2 TYR 13 4.835 -2.636 -3.907
77 HE1 TYR 13 HE1 TYR 13 0.220 -4.276 -4.205
78 HE2 TYR 13 HE2 TYR 13 4.257 -4.822 -2.950
79 HH TYR 13 HH TYR 13 1.120 -6.233 -3.532
80 H SER 14 H SER 14 5.094 -3.107 -7.287
81 HA SER 14 HA SER 14 3.209 -3.168 -9.494
82 HB2 SER 14 HB2 SER 14 5.027 -4.799 -10.342
83 HB3 SER 14 HB3 SER 14 5.363 -3.065 -10.354
84 HG SER 14 HG SER 14 6.574 -5.054 -9.015
85 H GLY 15 H GLY 15 2.987 -4.283 -6.610
86 HA2 GLY 15 HA2 GLY 15 2.653 -7.149 -7.206
87 HA3 GLY 15 HA3 GLY 15 2.644 -6.441 -5.593
88 HA PRO 16 HA PRO 16 -1.780 -7.540 -6.742
89 HB2 PRO 16 HB2 PRO 16 -2.230 -8.125 -4.055
90 HB3 PRO 16 HB3 PRO 16 -1.822 -9.313 -5.299
91 HG2 PRO 16 HG2 PRO 16 0.022 -7.857 -3.420
92 HG3 PRO 16 HG3 PRO 16 -0.029 -9.607 -3.790
93 HD2 PRO 16 HD2 PRO 16 1.780 -8.113 -4.880
94 HD3 PRO 16 HD3 PRO 16 0.867 -9.214 -5.935
95 H THR 17 H THR 17 -2.904 -5.693 -6.962
96 HA THR 17 HA THR 17 -2.710 -3.543 -5.056
97 HB THR 17 HB THR 17 -4.242 -2.443 -6.770
98 HG1 THR 17 HG1 THR 17 -4.993 -3.683 -8.278
99 HG21 THR 17 HG21 THR 17 -1.575 -3.520 -7.724
100 HG22 THR 17 HG22 THR 17 -1.806 -2.064 -6.753
101 HG23 THR 17 HG23 THR 17 -2.419 -2.131 -8.403
102 H VAL 18 H VAL 18 -4.868 -6.082 -5.921
103 HA VAL 18 HA VAL 18 -7.195 -4.940 -4.636
104 HB VAL 18 HB VAL 18 -6.744 -7.771 -5.623
105 HG11 VAL 18 HG11 VAL 18 -9.298 -6.309 -4.960
106 HG12 VAL 18 HG12 VAL 18 -8.576 -7.628 -4.036
107 HG13 VAL 18 HG13 VAL 18 -9.197 -7.924 -5.662
108 HG21 VAL 18 HG21 VAL 18 -6.500 -6.187 -7.455
109 HG22 VAL 18 HG22 VAL 18 -8.035 -5.437 -7.031
110 HG23 VAL 18 HG23 VAL 18 -8.002 -7.097 -7.630
111 H CYS 19 H CYS 19 -7.423 -5.005 -2.492
112 HA CYS 19 HA CYS 19 -5.683 -6.480 -0.813
113 HB2 CYS 19 HB2 CYS 19 -8.065 -4.743 -0.267
114 HB3 CYS 19 HB3 CYS 19 -7.204 -5.617 0.997
115 H ALA 20 H ALA 20 -6.546 -7.644 1.095
116 HA ALA 20 HA ALA 20 -8.021 -9.926 0.214
117 HB1 ALA 20 HB1 ALA 20 -6.013 -10.097 1.646
118 HB2 ALA 20 HB2 ALA 20 -7.426 -10.815 2.414
119 HB3 ALA 20 HB3 ALA 20 -6.856 -9.221 2.916
120 H SER 21 H SER 21 -9.766 -10.768 1.821
121 HA SER 21 HA SER 21 -11.925 -8.980 1.793
122 HB2 SER 21 HB2 SER 21 -11.626 -11.561 3.336
123 HB3 SER 21 HB3 SER 21 -13.135 -10.780 2.863
124 HG SER 21 HG SER 21 -13.003 -11.756 1.081
125 H GLY 22 H GLY 22 -12.142 -7.304 3.132
126 HA2 GLY 22 HA2 GLY 22 -12.750 -6.552 5.318
127 HA3 GLY 22 HA3 GLY 22 -11.663 -7.759 5.994
128 H THR 23 H THR 23 -10.222 -6.306 3.383
129 HA THR 23 HA THR 23 -9.045 -4.234 5.064
130 HB THR 23 HB THR 23 -6.830 -4.714 3.923
131 HG1 THR 23 HG1 THR 23 -8.361 -6.626 2.721
132 HG21 THR 23 HG21 THR 23 -7.958 -6.876 5.702
133 HG22 THR 23 HG22 THR 23 -7.203 -5.377 6.238
134 HG23 THR 23 HG23 THR 23 -6.245 -6.600 5.397
135 H THR 24 H THR 24 -8.343 -2.348 3.951
136 HA THR 24 HA THR 24 -9.211 -2.218 1.177
137 HB THR 24 HB THR 24 -9.997 0.155 1.703
138 HG1 THR 24 HG1 THR 24 -9.292 -0.688 4.237
139 HG21 THR 24 HG21 THR 24 -11.505 -2.172 2.893
140 HG22 THR 24 HG22 THR 24 -11.566 -1.648 1.208
141 HG23 THR 24 HG23 THR 24 -12.212 -0.612 2.479
142 H CYS 25 H CYS 25 -7.962 -1.017 -0.129
143 HA CYS 25 HA CYS 25 -5.309 -0.498 0.786
144 HB2 CYS 25 HB2 CYS 25 -5.803 -1.425 -1.458
145 HB3 CYS 25 HB3 CYS 25 -6.587 0.107 -1.861
146 H GLN 26 H GLN 26 -4.939 1.278 1.971
147 HA GLN 26 HA GLN 26 -6.436 3.618 1.245
148 HB2 GLN 26 HB2 GLN 26 -5.143 2.823 3.836
149 HB3 GLN 26 HB3 GLN 26 -5.922 4.378 3.553
150 HG2 GLN 26 HG2 GLN 26 -8.034 3.234 3.100
151 HG3 GLN 26 HG3 GLN 26 -7.250 1.680 3.354
152 HE21 GLN 26 HE21 GLN 26 -8.579 1.103 4.980
153 HE22 GLN 26 HE22 GLN 26 -8.578 1.810 6.538
154 H VAL 27 H VAL 27 -5.420 5.268 0.472
155 HA VAL 27 HA VAL 27 -2.605 5.168 -0.068
156 HB VAL 27 HB VAL 27 -4.665 7.328 -0.646
157 HG11 VAL 27 HG11 VAL 27 -1.880 6.981 -1.754
158 HG12 VAL 27 HG12 VAL 27 -2.400 8.236 -0.632
159 HG13 VAL 27 HG13 VAL 27 -3.050 8.196 -2.275
160 HG21 VAL 27 HG21 VAL 27 -4.637 6.455 -2.940
161 HG22 VAL 27 HG22 VAL 27 -5.188 5.242 -1.785
162 HG23 VAL 27 HG23 VAL 27 -3.547 5.169 -2.430
163 H LEU 28 H LEU 28 -1.243 5.672 1.494
164 HA LEU 28 HA LEU 28 -2.012 7.556 3.585
165 HB2 LEU 28 HB2 LEU 28 0.630 6.118 3.240
166 HB3 LEU 28 HB3 LEU 28 0.052 6.918 4.681
167 HG LEU 28 HG LEU 28 -0.926 4.315 3.519
168 HD11 LEU 28 HD11 LEU 28 -0.144 3.382 5.618
169 HD12 LEU 28 HD12 LEU 28 0.396 4.978 6.133
170 HD13 LEU 28 HD13 LEU 28 1.160 4.195 4.750
171 HD21 LEU 28 HD21 LEU 28 -1.967 5.846 5.883
172 HD22 LEU 28 HD22 LEU 28 -2.369 4.177 5.478
173 HD23 LEU 28 HD23 LEU 28 -2.852 5.490 4.388
174 H ASN 29 H ASN 29 0.419 7.033 1.130
175 HA ASN 29 HA ASN 29 0.898 9.891 0.873
176 HB2 ASN 29 HB2 ASN 29 2.987 7.661 0.866
177 HB3 ASN 29 HB3 ASN 29 3.281 9.358 0.518
178 HD21 ASN 29 HD21 ASN 29 4.483 7.633 2.536
179 HD22 ASN 29 HD22 ASN 29 4.190 8.393 4.045
180 HA PRO 30 HA PRO 30 0.179 8.893 -3.379
181 HB2 PRO 30 HB2 PRO 30 2.581 9.739 -4.613
182 HB3 PRO 30 HB3 PRO 30 1.043 10.581 -4.580
183 HG2 PRO 30 HG2 PRO 30 3.419 11.279 -3.203
184 HG3 PRO 30 HG3 PRO 30 1.841 12.058 -3.059
185 HD2 PRO 30 HD2 PRO 30 3.221 10.343 -1.209
186 HD3 PRO 30 HD3 PRO 30 1.720 11.241 -0.948
187 H TYR 31 H TYR 31 3.529 8.058 -2.536
188 HA TYR 31 HA TYR 31 3.398 5.925 -4.510
189 HB2 TYR 31 HB2 TYR 31 5.769 6.785 -2.798
190 HB3 TYR 31 HB3 TYR 31 5.788 5.636 -4.115
191 HD1 TYR 31 HD1 TYR 31 6.331 6.351 -6.256
192 HD2 TYR 31 HD2 TYR 31 5.022 9.235 -3.427
193 HE1 TYR 31 HE1 TYR 31 6.850 8.153 -7.851
194 HE2 TYR 31 HE2 TYR 31 5.539 11.034 -5.004
195 HH TYR 31 HH TYR 31 6.493 10.339 -8.300
196 H TYR 32 H TYR 32 3.343 6.469 -1.063
197 HA TYR 32 HA TYR 32 3.348 3.567 -0.718
198 HB2 TYR 32 HB2 TYR 32 4.952 4.895 0.672
199 HB3 TYR 32 HB3 TYR 32 3.568 5.629 1.474
200 HD1 TYR 32 HD1 TYR 32 5.199 2.378 0.786
201 HD2 TYR 32 HD2 TYR 32 2.552 4.543 3.300
202 HE1 TYR 32 HE1 TYR 32 5.163 0.490 2.346
203 HE2 TYR 32 HE2 TYR 32 2.484 2.658 4.880
204 HH TYR 32 HH TYR 32 2.977 0.304 5.047
205 H SER 33 H SER 33 1.453 2.655 -0.761
206 HA SER 33 HA SER 33 -0.753 3.889 0.724
207 HB2 SER 33 HB2 SER 33 -1.015 2.190 -1.782
208 HB3 SER 33 HB3 SER 33 -2.312 3.010 -0.919
209 HG SER 33 HG SER 33 -1.563 4.109 -2.808
210 H GLN 34 H GLN 34 -1.759 2.435 2.103
211 HA GLN 34 HA GLN 34 -0.500 -0.211 2.190
212 HB2 GLN 34 HB2 GLN 34 0.496 1.372 3.809
213 HB3 GLN 34 HB3 GLN 34 -1.094 1.607 4.512
214 HG2 GLN 34 HG2 GLN 34 -1.169 -0.691 5.191
215 HG3 GLN 34 HG3 GLN 34 0.377 -1.004 4.399
216 HE21 GLN 34 HE21 GLN 34 -1.201 0.470 7.070
217 HE22 GLN 34 HE22 GLN 34 0.225 0.782 7.994
218 H CYS 35 H CYS 35 -1.833 -1.863 2.835
219 HA CYS 35 HA CYS 35 -4.635 -1.232 2.570
220 HB2 CYS 35 HB2 CYS 35 -3.494 -3.229 1.434
221 HB3 CYS 35 HB3 CYS 35 -3.506 -3.971 3.024
222 H LEU 36 H LEU 36 -5.938 -0.949 4.129
223 HA LEU 36 HA LEU 36 -5.355 -2.007 6.772
224 HB2 LEU 36 HB2 LEU 36 -6.364 0.749 6.049
225 HB3 LEU 36 HB3 LEU 36 -6.287 0.102 7.673
226 HG LEU 36 HG LEU 36 -3.859 0.519 5.926
227 HD11 LEU 36 HD11 LEU 36 -3.385 2.440 7.322
228 HD12 LEU 36 HD12 LEU 36 -4.890 2.189 8.204
229 HD13 LEU 36 HD13 LEU 36 -4.935 2.652 6.499
230 HD21 LEU 36 HD21 LEU 36 -2.679 0.254 8.086
231 HD22 LEU 36 HD22 LEU 36 -3.528 -1.197 7.566
232 HD23 LEU 36 HD23 LEU 36 -4.218 -0.176 8.829
233 H1 MAN 101 H1 MAN 101 2.022 -8.654 3.062
234 H2 MAN 101 H2 MAN 101 2.733 -6.247 2.291
235 H3 MAN 101 H3 MAN 101 2.953 -5.759 0.144
236 H4 MAN 101 H4 MAN 101 1.606 -7.108 -1.551
237 H5 MAN 101 H5 MAN 101 -0.010 -8.728 -0.194
238 H61 MAN 101 H61 MAN 101 1.443 -9.241 -2.215
239 H62 MAN 101 H62 MAN 101 1.058 -10.632 -1.189
240 HO2 MAN 101 HO2 MAN 101 4.083 -8.635 1.541
241 HO3 MAN 101 HO3 MAN 101 3.691 -8.432 -0.504
242 HO4 MAN 101 HO4 MAN 101 0.659 -5.445 -0.363
243 HO6 MAN 101 HO6 MAN 101 3.147 -10.551 -0.328
Start of MODEL 18
1 H1 THR 1 H1 THR 1 -3.384 -11.069 -3.996
2 H2 THR 1 H2 THR 1 -4.862 -11.857 -3.782
3 H3 THR 1 H3 THR 1 -3.639 -12.029 -2.623
4 HA THR 1 HA THR 1 -5.078 -9.560 -3.252
5 HB THR 1 HB THR 1 -5.787 -9.877 -0.829
6 HG1 THR 1 HG1 THR 1 -5.775 -12.425 -0.570
7 HG21 THR 1 HG21 THR 1 -6.771 -11.941 -2.816
8 HG22 THR 1 HG22 THR 1 -7.332 -10.274 -2.724
9 HG23 THR 1 HG23 THR 1 -7.647 -11.382 -1.393
10 H ALA 2 H ALA 2 -4.495 -7.810 -1.913
11 HA ALA 2 HA ALA 2 -1.744 -7.777 -1.124
12 HB1 ALA 2 HB1 ALA 2 -2.116 -5.414 -0.624
13 HB2 ALA 2 HB2 ALA 2 -3.847 -5.602 -0.916
14 HB3 ALA 2 HB3 ALA 2 -2.690 -5.831 -2.232
15 H SER 3 H SER 3 -1.048 -7.248 0.922
16 HA SER 3 HA SER 3 -2.459 -8.729 2.933
17 HB2 SER 3 HB2 SER 3 -0.125 -8.294 4.027
18 HB3 SER 3 HB3 SER 3 -0.274 -9.425 2.668
19 H HIS 4 H HIS 4 -3.045 -7.982 4.870
20 HA HIS 4 HA HIS 4 -3.814 -5.294 5.241
21 HB2 HIS 4 HB2 HIS 4 -4.802 -7.393 6.294
22 HB3 HIS 4 HB3 HIS 4 -3.403 -7.404 7.347
23 HD1 HIS 4 HD1 HIS 4 -4.872 -7.135 9.444
24 HD2 HIS 4 HD2 HIS 4 -5.275 -4.032 6.704
25 HE1 HIS 4 HE1 HIS 4 -6.236 -5.377 10.599
26 HE2 HIS 4 HE2 HIS 4 -6.747 -3.736 8.803
27 H TYR 5 H TYR 5 -2.651 -3.624 5.927
28 HA TYR 5 HA TYR 5 -1.106 -2.325 6.834
29 HB2 TYR 5 HB2 TYR 5 -0.134 -4.803 8.264
30 HB3 TYR 5 HB3 TYR 5 0.656 -3.241 8.427
31 HD1 TYR 5 HD1 TYR 5 -0.515 -1.387 9.559
32 HD2 TYR 5 HD2 TYR 5 -2.187 -5.294 9.380
33 HE1 TYR 5 HE1 TYR 5 -2.032 -0.816 11.411
34 HE2 TYR 5 HE2 TYR 5 -3.700 -4.731 11.224
35 HH TYR 5 HH TYR 5 -4.210 -1.569 12.284
36 H GLY 6 H GLY 6 -0.726 -4.364 4.515
37 HA2 GLY 6 HA2 GLY 6 2.125 -3.894 4.078
38 HA3 GLY 6 HA3 GLY 6 1.062 -4.999 3.196
39 H GLN 7 H GLN 7 2.705 -3.178 1.905
40 HA GLN 7 HA GLN 7 1.218 -0.890 1.113
41 HB2 GLN 7 HB2 GLN 7 3.697 -1.095 0.864
42 HB3 GLN 7 HB3 GLN 7 3.449 -2.322 -0.369
43 HG2 GLN 7 HG2 GLN 7 2.353 -0.661 -1.798
44 HG3 GLN 7 HG3 GLN 7 2.591 0.566 -0.553
45 HE21 GLN 7 HE21 GLN 7 3.927 1.876 -1.986
46 HE22 GLN 7 HE22 GLN 7 5.493 1.337 -2.374
47 H CYS 8 H CYS 8 -0.368 -0.751 -0.347
48 HA CYS 8 HA CYS 8 -1.081 -3.259 -1.758
49 HB2 CYS 8 HB2 CYS 8 -3.407 -2.616 -1.427
50 HB3 CYS 8 HB3 CYS 8 -2.490 -2.867 0.064
51 H GLY 9 H GLY 9 -0.347 0.024 -2.366
52 HA2 GLY 9 HA2 GLY 9 -0.836 -0.185 -5.112
53 HA3 GLY 9 HA3 GLY 9 -2.320 0.383 -4.376
54 H GLY 10 H GLY 10 1.108 1.093 -4.217
55 HA2 GLY 10 HA2 GLY 10 0.403 3.947 -4.261
56 HA3 GLY 10 HA3 GLY 10 1.925 3.287 -3.657
57 H ILE 11 H ILE 11 2.103 5.248 -5.510
58 HA ILE 11 HA ILE 11 2.204 4.196 -8.132
59 HB ILE 11 HB ILE 11 3.688 6.607 -7.014
60 HG12 ILE 11 HG12 ILE 11 1.059 6.460 -8.519
61 HG13 ILE 11 HG13 ILE 11 1.224 6.754 -6.793
62 HG21 ILE 11 HG21 ILE 11 3.839 7.328 -9.370
63 HG22 ILE 11 HG22 ILE 11 3.098 5.812 -9.877
64 HG23 ILE 11 HG23 ILE 11 4.679 5.802 -9.095
65 HD11 ILE 11 HD11 ILE 11 2.397 8.842 -7.267
66 HD12 ILE 11 HD12 ILE 11 0.803 8.803 -8.024
67 HD13 ILE 11 HD13 ILE 11 2.248 8.534 -8.995
68 H GLY 12 H GLY 12 3.669 2.895 -8.981
69 HA2 GLY 12 HA2 GLY 12 5.890 2.183 -9.428
70 HA3 GLY 12 HA3 GLY 12 6.393 2.861 -7.882
71 H TYR 13 H TYR 13 3.611 1.376 -7.239
72 HA TYR 13 HA TYR 13 4.972 -1.090 -6.493
73 HB2 TYR 13 HB2 TYR 13 3.962 0.052 -4.608
74 HB3 TYR 13 HB3 TYR 13 2.425 0.168 -5.450
75 HD1 TYR 13 HD1 TYR 13 0.814 -1.435 -5.094
76 HD2 TYR 13 HD2 TYR 13 4.840 -2.368 -4.133
77 HE1 TYR 13 HE1 TYR 13 0.079 -3.534 -4.103
78 HE2 TYR 13 HE2 TYR 13 4.107 -4.490 -3.123
79 HH TYR 13 HH TYR 13 0.769 -5.537 -3.420
80 H SER 14 H SER 14 4.793 -2.557 -7.992
81 HA SER 14 HA SER 14 2.383 -2.693 -9.607
82 HB2 SER 14 HB2 SER 14 3.921 -4.128 -11.045
83 HB3 SER 14 HB3 SER 14 4.315 -2.413 -10.922
84 HG SER 14 HG SER 14 5.575 -4.634 -9.753
85 H GLY 15 H GLY 15 3.472 -4.034 -6.870
86 HA2 GLY 15 HA2 GLY 15 2.993 -6.839 -7.273
87 HA3 GLY 15 HA3 GLY 15 3.076 -6.020 -5.717
88 HA PRO 16 HA PRO 16 -1.309 -7.688 -6.272
89 HB2 PRO 16 HB2 PRO 16 -1.405 -8.048 -3.504
90 HB3 PRO 16 HB3 PRO 16 -0.986 -9.308 -4.675
91 HG2 PRO 16 HG2 PRO 16 0.835 -7.465 -3.160
92 HG3 PRO 16 HG3 PRO 16 0.982 -9.237 -3.353
93 HD2 PRO 16 HD2 PRO 16 2.469 -7.683 -4.785
94 HD3 PRO 16 HD3 PRO 16 1.581 -8.971 -5.629
95 H THR 17 H THR 17 -2.600 -5.908 -6.562
96 HA THR 17 HA THR 17 -2.485 -3.783 -4.603
97 HB THR 17 HB THR 17 -3.854 -2.578 -6.402
98 HG1 THR 17 HG1 THR 17 -4.037 -3.524 -8.315
99 HG21 THR 17 HG21 THR 17 -1.850 -2.057 -7.738
100 HG22 THR 17 HG22 THR 17 -1.041 -3.478 -7.075
101 HG23 THR 17 HG23 THR 17 -1.460 -2.132 -6.019
102 H VAL 18 H VAL 18 -4.611 -6.189 -5.942
103 HA VAL 18 HA VAL 18 -7.016 -5.142 -4.775
104 HB VAL 18 HB VAL 18 -6.411 -7.979 -5.683
105 HG11 VAL 18 HG11 VAL 18 -9.065 -6.617 -5.212
106 HG12 VAL 18 HG12 VAL 18 -8.350 -7.889 -4.219
107 HG13 VAL 18 HG13 VAL 18 -8.843 -8.239 -5.875
108 HG21 VAL 18 HG21 VAL 18 -6.113 -6.385 -7.510
109 HG22 VAL 18 HG22 VAL 18 -7.717 -5.722 -7.208
110 HG23 VAL 18 HG23 VAL 18 -7.543 -7.381 -7.777
111 H CYS 19 H CYS 19 -7.300 -5.063 -2.625
112 HA CYS 19 HA CYS 19 -5.667 -6.461 -0.784
113 HB2 CYS 19 HB2 CYS 19 -8.073 -4.698 -0.422
114 HB3 CYS 19 HB3 CYS 19 -7.311 -5.546 0.921
115 H ALA 20 H ALA 20 -6.499 -7.629 1.095
116 HA ALA 20 HA ALA 20 -7.832 -9.998 0.250
117 HB1 ALA 20 HB1 ALA 20 -6.803 -9.139 2.952
118 HB2 ALA 20 HB2 ALA 20 -5.871 -10.000 1.742
119 HB3 ALA 20 HB3 ALA 20 -7.265 -10.779 2.501
120 H SER 21 H SER 21 -9.441 -10.936 1.987
121 HA SER 21 HA SER 21 -11.807 -9.435 1.812
122 HB2 SER 21 HB2 SER 21 -11.215 -11.832 3.552
123 HB3 SER 21 HB3 SER 21 -12.793 -11.286 2.975
124 HG SER 21 HG SER 21 -11.967 -11.634 0.822
125 H GLY 22 H GLY 22 -12.284 -7.723 3.035
126 HA2 GLY 22 HA2 GLY 22 -12.937 -6.763 5.066
127 HA3 GLY 22 HA3 GLY 22 -11.878 -7.881 5.914
128 H THR 23 H THR 23 -10.324 -6.504 3.269
129 HA THR 23 HA THR 23 -9.223 -4.417 5.001
130 HB THR 23 HB THR 23 -6.982 -4.815 3.897
131 HG1 THR 23 HG1 THR 23 -8.482 -6.662 2.517
132 HG21 THR 23 HG21 THR 23 -8.167 -7.129 5.425
133 HG22 THR 23 HG22 THR 23 -7.403 -5.693 6.116
134 HG23 THR 23 HG23 THR 23 -6.447 -6.837 5.177
135 H THR 24 H THR 24 -8.512 -2.516 4.005
136 HA THR 24 HA THR 24 -9.440 -2.158 1.250
137 HB THR 24 HB THR 24 -10.164 0.212 1.999
138 HG1 THR 24 HG1 THR 24 -9.332 -0.560 4.380
139 HG21 THR 24 HG21 THR 24 -11.755 -2.203 2.849
140 HG22 THR 24 HG22 THR 24 -11.720 -1.505 1.232
141 HG23 THR 24 HG23 THR 24 -12.407 -0.588 2.575
142 H CYS 25 H CYS 25 -8.204 -0.886 -0.046
143 HA CYS 25 HA CYS 25 -5.525 -0.455 0.921
144 HB2 CYS 25 HB2 CYS 25 -6.032 -1.416 -1.344
145 HB3 CYS 25 HB3 CYS 25 -6.676 0.173 -1.785
146 H GLN 26 H GLN 26 -4.910 1.400 1.901
147 HA GLN 26 HA GLN 26 -6.403 3.776 1.210
148 HB2 GLN 26 HB2 GLN 26 -5.001 3.013 3.757
149 HB3 GLN 26 HB3 GLN 26 -5.829 4.537 3.515
150 HG2 GLN 26 HG2 GLN 26 -7.914 3.098 3.070
151 HG3 GLN 26 HG3 GLN 26 -6.970 1.767 3.720
152 HE21 GLN 26 HE21 GLN 26 -8.269 1.444 5.544
153 HE22 GLN 26 HE22 GLN 26 -8.359 2.616 6.797
154 H VAL 27 H VAL 27 -5.195 5.083 -0.049
155 HA VAL 27 HA VAL 27 -2.355 4.958 -0.170
156 HB VAL 27 HB VAL 27 -4.287 7.048 -1.257
157 HG11 VAL 27 HG11 VAL 27 -1.355 6.662 -1.873
158 HG12 VAL 27 HG12 VAL 27 -2.049 8.010 -0.974
159 HG13 VAL 27 HG13 VAL 27 -2.436 7.798 -2.681
160 HG21 VAL 27 HG21 VAL 27 -4.543 4.810 -2.251
161 HG22 VAL 27 HG22 VAL 27 -2.829 4.807 -2.650
162 HG23 VAL 27 HG23 VAL 27 -3.904 5.976 -3.410
163 H LEU 28 H LEU 28 -0.999 5.768 1.222
164 HA LEU 28 HA LEU 28 -1.932 7.746 3.173
165 HB2 LEU 28 HB2 LEU 28 0.524 5.993 3.153
166 HB3 LEU 28 HB3 LEU 28 0.099 7.103 4.435
167 HG LEU 28 HG LEU 28 -1.533 4.685 3.636
168 HD11 LEU 28 HD11 LEU 28 0.306 5.160 5.964
169 HD12 LEU 28 HD12 LEU 28 0.569 4.053 4.612
170 HD13 LEU 28 HD13 LEU 28 -0.741 3.756 5.755
171 HD21 LEU 28 HD21 LEU 28 -2.706 5.107 5.723
172 HD22 LEU 28 HD22 LEU 28 -2.874 6.469 4.600
173 HD23 LEU 28 HD23 LEU 28 -1.733 6.561 5.955
174 H ASN 29 H ASN 29 0.768 7.022 1.059
175 HA ASN 29 HA ASN 29 1.409 9.873 0.820
176 HB2 ASN 29 HB2 ASN 29 3.367 7.517 0.727
177 HB3 ASN 29 HB3 ASN 29 3.744 9.210 0.473
178 HD21 ASN 29 HD21 ASN 29 4.806 7.294 2.411
179 HD22 ASN 29 HD22 ASN 29 4.548 7.992 3.964
180 HA PRO 30 HA PRO 30 0.718 9.042 -3.442
181 HB2 PRO 30 HB2 PRO 30 3.085 9.776 -4.769
182 HB3 PRO 30 HB3 PRO 30 1.687 10.800 -4.467
183 HG2 PRO 30 HG2 PRO 30 4.295 10.850 -3.197
184 HG3 PRO 30 HG3 PRO 30 2.985 12.026 -3.104
185 HD2 PRO 30 HD2 PRO 30 3.823 10.200 -1.143
186 HD3 PRO 30 HD3 PRO 30 2.420 11.251 -1.030
187 H TYR 31 H TYR 31 3.845 7.835 -2.385
188 HA TYR 31 HA TYR 31 3.612 5.711 -4.378
189 HB2 TYR 31 HB2 TYR 31 6.011 6.552 -2.709
190 HB3 TYR 31 HB3 TYR 31 6.006 5.253 -3.888
191 HD1 TYR 31 HD1 TYR 31 6.472 5.717 -6.167
192 HD2 TYR 31 HD2 TYR 31 5.481 8.944 -3.577
193 HE1 TYR 31 HE1 TYR 31 7.013 7.324 -7.948
194 HE2 TYR 31 HE2 TYR 31 6.022 10.540 -5.352
195 HH TYR 31 HH TYR 31 7.304 10.668 -7.363
196 H TYR 32 H TYR 32 3.405 6.324 -0.992
197 HA TYR 32 HA TYR 32 3.426 3.444 -0.470
198 HB2 TYR 32 HB2 TYR 32 4.960 4.761 0.944
199 HB3 TYR 32 HB3 TYR 32 3.594 5.678 1.563
200 HD1 TYR 32 HD1 TYR 32 4.828 2.192 1.257
201 HD2 TYR 32 HD2 TYR 32 2.525 4.947 3.555
202 HE1 TYR 32 HE1 TYR 32 4.562 0.507 3.004
203 HE2 TYR 32 HE2 TYR 32 2.263 3.266 5.302
204 HH TYR 32 HH TYR 32 4.112 0.470 5.467
205 H SER 33 H SER 33 1.555 2.497 -0.481
206 HA SER 33 HA SER 33 -0.724 3.837 0.796
207 HB2 SER 33 HB2 SER 33 -0.890 1.954 -1.582
208 HB3 SER 33 HB3 SER 33 -2.199 2.889 -0.859
209 HG SER 33 HG SER 33 -1.219 3.787 -2.808
210 H GLN 34 H GLN 34 -1.740 2.521 2.308
211 HA GLN 34 HA GLN 34 -0.513 -0.136 2.635
212 HB2 GLN 34 HB2 GLN 34 0.201 1.645 4.273
213 HB3 GLN 34 HB3 GLN 34 -1.465 1.719 4.819
214 HG2 GLN 34 HG2 GLN 34 -1.345 -0.614 5.489
215 HG3 GLN 34 HG3 GLN 34 0.326 -0.685 4.942
216 HE21 GLN 34 HE21 GLN 34 1.174 -1.155 6.913
217 HE22 GLN 34 HE22 GLN 34 1.207 -0.044 8.226
218 H CYS 35 H CYS 35 -1.922 -1.802 3.062
219 HA CYS 35 HA CYS 35 -4.721 -1.161 2.651
220 HB2 CYS 35 HB2 CYS 35 -3.606 -3.167 1.514
221 HB3 CYS 35 HB3 CYS 35 -3.668 -3.949 3.087
222 H LEU 36 H LEU 36 -5.935 -0.663 4.177
223 HA LEU 36 HA LEU 36 -5.659 -1.926 6.786
224 HB2 LEU 36 HB2 LEU 36 -6.323 0.963 6.175
225 HB3 LEU 36 HB3 LEU 36 -6.223 0.241 7.771
226 HG LEU 36 HG LEU 36 -3.859 0.466 5.907
227 HD11 LEU 36 HD11 LEU 36 -3.157 2.363 7.276
228 HD12 LEU 36 HD12 LEU 36 -4.683 2.288 8.153
229 HD13 LEU 36 HD13 LEU 36 -4.670 2.686 6.430
230 HD21 LEU 36 HD21 LEU 36 -3.661 -1.256 7.625
231 HD22 LEU 36 HD22 LEU 36 -4.074 -0.076 8.867
232 HD23 LEU 36 HD23 LEU 36 -2.573 0.091 7.957
233 H1 MAN 101 H1 MAN 101 1.492 -9.241 1.473
234 H2 MAN 101 H2 MAN 101 2.293 -8.540 3.835
235 H3 MAN 101 H3 MAN 101 2.522 -6.182 3.619
236 H4 MAN 101 H4 MAN 101 4.603 -6.660 1.413
237 H5 MAN 101 H5 MAN 101 1.768 -5.603 1.098
238 H61 MAN 101 H61 MAN 101 3.550 -4.813 -0.480
239 H62 MAN 101 H62 MAN 101 2.193 -5.641 -1.273
240 HO2 MAN 101 HO2 MAN 101 4.412 -9.063 3.351
241 HO3 MAN 101 HO3 MAN 101 5.123 -7.327 3.411
242 HO4 MAN 101 HO4 MAN 101 4.748 -4.751 2.668
243 HO6 MAN 101 HO6 MAN 101 3.602 -7.589 -0.861
Start of MODEL 19
1 H1 THR 1 H1 THR 1 -2.652 -12.043 -3.584
2 H2 THR 1 H2 THR 1 -1.979 -11.873 -2.033
3 H3 THR 1 H3 THR 1 -1.356 -10.964 -3.303
4 HA THR 1 HA THR 1 -3.539 -9.851 -3.469
5 HB THR 1 HB THR 1 -4.163 -11.261 -0.892
6 HG1 THR 1 HG1 THR 1 -5.177 -12.882 -2.101
7 HG21 THR 1 HG21 THR 1 -5.906 -10.118 -3.088
8 HG22 THR 1 HG22 THR 1 -5.523 -9.316 -1.569
9 HG23 THR 1 HG23 THR 1 -6.481 -10.798 -1.566
10 H ALA 2 H ALA 2 -3.823 -7.938 -2.089
11 HA ALA 2 HA ALA 2 -1.427 -7.322 -0.652
12 HB1 ALA 2 HB1 ALA 2 -3.933 -5.676 -1.057
13 HB2 ALA 2 HB2 ALA 2 -2.494 -5.643 -2.075
14 HB3 ALA 2 HB3 ALA 2 -2.399 -5.091 -0.404
15 H SER 3 H SER 3 -1.116 -7.375 1.469
16 HA SER 3 HA SER 3 -3.118 -8.669 3.086
17 HB2 SER 3 HB2 SER 3 -1.179 -8.714 4.644
18 HB3 SER 3 HB3 SER 3 -0.853 -9.493 3.083
19 H HIS 4 H HIS 4 -3.199 -7.868 5.346
20 HA HIS 4 HA HIS 4 -3.871 -5.112 5.542
21 HB2 HIS 4 HB2 HIS 4 -4.852 -7.058 6.889
22 HB3 HIS 4 HB3 HIS 4 -3.330 -7.118 7.748
23 HD1 HIS 4 HD1 HIS 4 -4.596 -6.605 9.949
24 HD2 HIS 4 HD2 HIS 4 -4.890 -3.644 7.079
25 HE1 HIS 4 HE1 HIS 4 -5.584 -4.635 11.131
26 HE2 HIS 4 HE2 HIS 4 -6.109 -3.054 9.286
27 H TYR 5 H TYR 5 -2.415 -3.519 5.843
28 HA TYR 5 HA TYR 5 -0.620 -2.345 6.485
29 HB2 TYR 5 HB2 TYR 5 0.163 -4.819 8.041
30 HB3 TYR 5 HB3 TYR 5 1.209 -3.408 7.944
31 HD1 TYR 5 HD1 TYR 5 -1.810 -4.813 9.418
32 HD2 TYR 5 HD2 TYR 5 0.511 -1.292 8.932
33 HE1 TYR 5 HE1 TYR 5 -3.020 -3.757 11.282
34 HE2 TYR 5 HE2 TYR 5 -0.681 -0.233 10.775
35 HH TYR 5 HH TYR 5 -2.651 -1.945 12.917
36 H GLY 6 H GLY 6 -0.822 -4.288 4.190
37 HA2 GLY 6 HA2 GLY 6 2.003 -4.209 3.437
38 HA3 GLY 6 HA3 GLY 6 0.743 -5.161 2.649
39 H GLN 7 H GLN 7 2.571 -3.262 1.422
40 HA GLN 7 HA GLN 7 1.117 -0.916 0.768
41 HB2 GLN 7 HB2 GLN 7 3.606 -1.184 0.462
42 HB3 GLN 7 HB3 GLN 7 3.277 -2.308 -0.848
43 HG2 GLN 7 HG2 GLN 7 2.154 -0.509 -2.090
44 HG3 GLN 7 HG3 GLN 7 2.522 0.611 -0.782
45 HE21 GLN 7 HE21 GLN 7 3.814 1.977 -2.129
46 HE22 GLN 7 HE22 GLN 7 5.323 1.448 -2.692
47 H CYS 8 H CYS 8 -0.574 -0.764 -0.544
48 HA CYS 8 HA CYS 8 -1.278 -3.173 -2.102
49 HB2 CYS 8 HB2 CYS 8 -3.596 -2.450 -1.786
50 HB3 CYS 8 HB3 CYS 8 -2.748 -2.840 -0.283
51 H GLY 9 H GLY 9 -0.178 -0.113 -2.709
52 HA2 GLY 9 HA2 GLY 9 -0.604 -0.137 -5.419
53 HA3 GLY 9 HA3 GLY 9 -2.100 0.495 -4.765
54 H GLY 10 H GLY 10 1.347 1.013 -4.308
55 HA2 GLY 10 HA2 GLY 10 0.780 3.905 -4.333
56 HA3 GLY 10 HA3 GLY 10 2.203 3.164 -3.579
57 H ILE 11 H ILE 11 2.440 5.200 -5.448
58 HA ILE 11 HA ILE 11 2.775 4.332 -8.083
59 HB ILE 11 HB ILE 11 4.370 6.500 -6.674
60 HG12 ILE 11 HG12 ILE 11 1.768 6.675 -8.228
61 HG13 ILE 11 HG13 ILE 11 1.936 6.827 -6.489
62 HG21 ILE 11 HG21 ILE 11 5.373 5.815 -8.795
63 HG22 ILE 11 HG22 ILE 11 4.673 7.430 -8.947
64 HG23 ILE 11 HG23 ILE 11 3.829 6.031 -9.613
65 HD11 ILE 11 HD11 ILE 11 3.263 8.857 -6.780
66 HD12 ILE 11 HD12 ILE 11 1.674 8.996 -7.532
67 HD13 ILE 11 HD13 ILE 11 3.099 8.710 -8.530
68 H GLY 12 H GLY 12 4.064 2.879 -8.885
69 HA2 GLY 12 HA2 GLY 12 6.277 2.119 -9.419
70 HA3 GLY 12 HA3 GLY 12 6.770 2.557 -7.788
71 H TYR 13 H TYR 13 4.076 1.307 -6.976
72 HA TYR 13 HA TYR 13 5.195 -1.298 -6.466
73 HB2 TYR 13 HB2 TYR 13 4.054 -0.226 -4.634
74 HB3 TYR 13 HB3 TYR 13 2.621 0.035 -5.612
75 HD1 TYR 13 HD1 TYR 13 4.726 -2.708 -4.197
76 HD2 TYR 13 HD2 TYR 13 0.883 -1.467 -5.495
77 HE1 TYR 13 HE1 TYR 13 3.757 -4.803 -3.341
78 HE2 TYR 13 HE2 TYR 13 -0.088 -3.545 -4.656
79 HH TYR 13 HH TYR 13 0.397 -5.616 -3.951
80 H SER 14 H SER 14 5.054 -2.770 -7.918
81 HA SER 14 HA SER 14 2.818 -2.809 -9.795
82 HB2 SER 14 HB2 SER 14 4.485 -4.217 -11.101
83 HB3 SER 14 HB3 SER 14 4.895 -2.514 -10.883
84 HG SER 14 HG SER 14 6.478 -4.347 -10.392
85 H GLY 15 H GLY 15 3.011 -3.976 -7.003
86 HA2 GLY 15 HA2 GLY 15 2.763 -6.832 -7.561
87 HA3 GLY 15 HA3 GLY 15 2.726 -6.091 -5.965
88 HA PRO 16 HA PRO 16 -1.636 -7.385 -7.043
89 HB2 PRO 16 HB2 PRO 16 -2.018 -8.088 -4.385
90 HB3 PRO 16 HB3 PRO 16 -1.528 -9.207 -5.664
91 HG2 PRO 16 HG2 PRO 16 0.225 -7.668 -3.752
92 HG3 PRO 16 HG3 PRO 16 0.283 -9.412 -4.150
93 HD2 PRO 16 HD2 PRO 16 1.977 -7.778 -5.216
94 HD3 PRO 16 HD3 PRO 16 1.146 -8.940 -6.275
95 H THR 17 H THR 17 -3.025 -5.685 -7.039
96 HA THR 17 HA THR 17 -2.769 -3.635 -4.989
97 HB THR 17 HB THR 17 -4.331 -2.419 -6.691
98 HG1 THR 17 HG1 THR 17 -3.342 -3.555 -8.832
99 HG21 THR 17 HG21 THR 17 -1.973 -1.820 -6.278
100 HG22 THR 17 HG22 THR 17 -2.374 -1.684 -7.988
101 HG23 THR 17 HG23 THR 17 -1.460 -3.077 -7.404
102 H VAL 18 H VAL 18 -4.651 -6.283 -5.700
103 HA VAL 18 HA VAL 18 -7.104 -5.227 -4.555
104 HB VAL 18 HB VAL 18 -6.386 -8.043 -5.461
105 HG11 VAL 18 HG11 VAL 18 -9.065 -6.947 -4.610
106 HG12 VAL 18 HG12 VAL 18 -8.090 -8.144 -3.753
107 HG13 VAL 18 HG13 VAL 18 -8.785 -8.536 -5.324
108 HG21 VAL 18 HG21 VAL 18 -8.099 -5.939 -6.786
109 HG22 VAL 18 HG22 VAL 18 -7.852 -7.584 -7.375
110 HG23 VAL 18 HG23 VAL 18 -6.497 -6.455 -7.309
111 H CYS 19 H CYS 19 -7.657 -5.434 -2.450
112 HA CYS 19 HA CYS 19 -5.753 -6.632 -0.622
113 HB2 CYS 19 HB2 CYS 19 -8.163 -4.884 -0.236
114 HB3 CYS 19 HB3 CYS 19 -7.330 -5.669 1.088
115 H ALA 20 H ALA 20 -6.581 -7.832 1.209
116 HA ALA 20 HA ALA 20 -8.262 -10.003 0.446
117 HB1 ALA 20 HB1 ALA 20 -7.018 -9.232 3.086
118 HB2 ALA 20 HB2 ALA 20 -6.342 -10.346 1.890
119 HB3 ALA 20 HB3 ALA 20 -7.820 -10.768 2.755
120 H SER 21 H SER 21 -10.146 -10.625 1.881
121 HA SER 21 HA SER 21 -11.913 -8.397 2.021
122 HB2 SER 21 HB2 SER 21 -12.351 -11.260 2.901
123 HB3 SER 21 HB3 SER 21 -13.605 -10.050 2.592
124 HG SER 21 HG SER 21 -12.415 -9.934 0.428
125 H GLY 22 H GLY 22 -12.360 -7.173 3.700
126 HA2 GLY 22 HA2 GLY 22 -12.661 -6.832 6.051
127 HA3 GLY 22 HA3 GLY 22 -11.369 -7.994 6.336
128 H THR 23 H THR 23 -10.352 -6.303 3.736
129 HA THR 23 HA THR 23 -9.171 -4.158 5.318
130 HB THR 23 HB THR 23 -6.984 -4.587 4.090
131 HG1 THR 23 HG1 THR 23 -8.478 -6.527 2.925
132 HG21 THR 23 HG21 THR 23 -7.968 -6.755 5.943
133 HG22 THR 23 HG22 THR 23 -7.233 -5.225 6.431
134 HG23 THR 23 HG23 THR 23 -6.280 -6.427 5.555
135 H THR 24 H THR 24 -8.516 -2.283 4.093
136 HA THR 24 HA THR 24 -9.548 -2.200 1.362
137 HB THR 24 HB THR 24 -10.242 0.209 1.873
138 HG1 THR 24 HG1 THR 24 -9.425 -0.600 4.394
139 HG21 THR 24 HG21 THR 24 -11.742 -1.999 3.284
140 HG22 THR 24 HG22 THR 24 -11.904 -1.568 1.582
141 HG23 THR 24 HG23 THR 24 -12.419 -0.434 2.832
142 H CYS 25 H CYS 25 -8.312 -0.987 -0.052
143 HA CYS 25 HA CYS 25 -5.617 -0.512 0.818
144 HB2 CYS 25 HB2 CYS 25 -6.129 -1.448 -1.427
145 HB3 CYS 25 HB3 CYS 25 -6.891 0.089 -1.849
146 H GLN 26 H GLN 26 -5.002 1.347 1.794
147 HA GLN 26 HA GLN 26 -6.495 3.715 1.064
148 HB2 GLN 26 HB2 GLN 26 -5.205 2.954 3.658
149 HB3 GLN 26 HB3 GLN 26 -5.934 4.513 3.332
150 HG2 GLN 26 HG2 GLN 26 -8.091 3.339 2.903
151 HG3 GLN 26 HG3 GLN 26 -7.312 1.836 3.389
152 HE21 GLN 26 HE21 GLN 26 -8.643 1.524 5.083
153 HE22 GLN 26 HE22 GLN 26 -8.597 2.488 6.517
154 H VAL 27 H VAL 27 -5.358 5.164 0.064
155 HA VAL 27 HA VAL 27 -2.521 4.988 -0.186
156 HB VAL 27 HB VAL 27 -4.449 7.184 -1.039
157 HG11 VAL 27 HG11 VAL 27 -1.581 6.734 -1.855
158 HG12 VAL 27 HG12 VAL 27 -2.180 8.052 -0.847
159 HG13 VAL 27 HG13 VAL 27 -2.665 7.946 -2.539
160 HG21 VAL 27 HG21 VAL 27 -3.215 4.934 -2.626
161 HG22 VAL 27 HG22 VAL 27 -4.222 6.220 -3.285
162 HG23 VAL 27 HG23 VAL 27 -4.907 5.061 -2.145
163 H LEU 28 H LEU 28 -1.265 5.515 1.469
164 HA LEU 28 HA LEU 28 -2.175 7.407 3.489
165 HB2 LEU 28 HB2 LEU 28 0.433 5.903 3.328
166 HB3 LEU 28 HB3 LEU 28 -0.167 6.783 4.715
167 HG LEU 28 HG LEU 28 -1.232 4.192 3.597
168 HD11 LEU 28 HD11 LEU 28 0.806 3.975 4.866
169 HD12 LEU 28 HD12 LEU 28 -0.553 3.320 5.782
170 HD13 LEU 28 HD13 LEU 28 0.108 4.902 6.187
171 HD21 LEU 28 HD21 LEU 28 -2.750 4.174 5.473
172 HD22 LEU 28 HD22 LEU 28 -3.097 5.541 4.403
173 HD23 LEU 28 HD23 LEU 28 -2.239 5.797 5.936
174 H ASN 29 H ASN 29 0.281 6.975 1.075
175 HA ASN 29 HA ASN 29 0.835 9.817 0.984
176 HB2 ASN 29 HB2 ASN 29 2.987 7.642 1.083
177 HB3 ASN 29 HB3 ASN 29 3.230 9.372 0.861
178 HD21 ASN 29 HD21 ASN 29 2.568 6.851 3.139
179 HD22 ASN 29 HD22 ASN 29 2.800 7.772 4.572
180 HA PRO 30 HA PRO 30 0.491 8.821 -3.309
181 HB2 PRO 30 HB2 PRO 30 2.947 9.762 -4.357
182 HB3 PRO 30 HB3 PRO 30 1.378 10.542 -4.436
183 HG2 PRO 30 HG2 PRO 30 3.610 11.309 -2.883
184 HG3 PRO 30 HG3 PRO 30 1.999 12.040 -2.868
185 HD2 PRO 30 HD2 PRO 30 3.283 10.365 -0.902
186 HD3 PRO 30 HD3 PRO 30 1.739 11.202 -0.753
187 H TYR 31 H TYR 31 3.760 8.028 -2.125
188 HA TYR 31 HA TYR 31 3.813 5.938 -4.145
189 HB2 TYR 31 HB2 TYR 31 5.932 6.751 -2.145
190 HB3 TYR 31 HB3 TYR 31 6.125 5.521 -3.382
191 HD1 TYR 31 HD1 TYR 31 5.763 9.150 -2.785
192 HD2 TYR 31 HD2 TYR 31 6.581 6.121 -5.661
193 HE1 TYR 31 HE1 TYR 31 6.561 10.852 -4.332
194 HE2 TYR 31 HE2 TYR 31 7.384 7.839 -7.225
195 HH TYR 31 HH TYR 31 7.099 10.213 -7.608
196 H TYR 32 H TYR 32 3.348 6.357 -0.705
197 HA TYR 32 HA TYR 32 3.315 3.447 -0.502
198 HB2 TYR 32 HB2 TYR 32 4.849 4.619 1.071
199 HB3 TYR 32 HB3 TYR 32 3.434 5.352 1.830
200 HD1 TYR 32 HD1 TYR 32 2.169 4.146 3.413
201 HD2 TYR 32 HD2 TYR 32 5.103 2.136 1.105
202 HE1 TYR 32 HE1 TYR 32 1.891 2.163 4.827
203 HE2 TYR 32 HE2 TYR 32 4.852 0.129 2.495
204 HH TYR 32 HH TYR 32 4.102 -0.342 4.861
205 H SER 33 H SER 33 1.425 2.559 -0.719
206 HA SER 33 HA SER 33 -0.870 3.800 0.623
207 HB2 SER 33 HB2 SER 33 -0.927 1.944 -1.795
208 HB3 SER 33 HB3 SER 33 -2.288 2.815 -1.089
209 HG SER 33 HG SER 33 -1.210 3.757 -3.030
210 H GLN 34 H GLN 34 -1.822 2.468 2.152
211 HA GLN 34 HA GLN 34 -0.640 -0.208 2.393
212 HB2 GLN 34 HB2 GLN 34 0.315 1.334 4.022
213 HB3 GLN 34 HB3 GLN 34 -1.297 1.755 4.583
214 HG2 GLN 34 HG2 GLN 34 -1.618 -0.491 5.419
215 HG3 GLN 34 HG3 GLN 34 -0.047 -0.974 4.779
216 HE21 GLN 34 HE21 GLN 34 1.825 -0.268 5.828
217 HE22 GLN 34 HE22 GLN 34 1.797 0.353 7.418
218 H CYS 35 H CYS 35 -2.028 -1.811 2.832
219 HA CYS 35 HA CYS 35 -4.812 -1.152 2.598
220 HB2 CYS 35 HB2 CYS 35 -3.698 -3.172 1.478
221 HB3 CYS 35 HB3 CYS 35 -3.698 -3.894 3.078
222 H LEU 36 H LEU 36 -6.128 -0.871 4.169
223 HA LEU 36 HA LEU 36 -5.471 -1.837 6.839
224 HB2 LEU 36 HB2 LEU 36 -6.573 0.854 6.051
225 HB3 LEU 36 HB3 LEU 36 -6.421 0.262 7.694
226 HG LEU 36 HG LEU 36 -4.103 0.741 5.817
227 HD11 LEU 36 HD11 LEU 36 -3.580 2.634 7.271
228 HD12 LEU 36 HD12 LEU 36 -5.079 2.366 8.163
229 HD13 LEU 36 HD13 LEU 36 -5.133 2.831 6.460
230 HD21 LEU 36 HD21 LEU 36 -3.636 -1.027 7.397
231 HD22 LEU 36 HD22 LEU 36 -4.205 -0.030 8.731
232 HD23 LEU 36 HD23 LEU 36 -2.743 0.422 7.850
233 H1 MAN 101 H1 MAN 101 1.541 -8.948 3.625
234 H2 MAN 101 H2 MAN 101 0.228 -7.186 5.723
235 H3 MAN 101 H3 MAN 101 2.238 -6.012 5.864
236 H4 MAN 101 H4 MAN 101 3.637 -8.682 5.405
237 H5 MAN 101 H5 MAN 101 3.941 -6.229 3.579
238 H61 MAN 101 H61 MAN 101 3.752 -8.008 1.832
239 H62 MAN 101 H62 MAN 101 3.692 -9.249 3.100
240 HO2 MAN 101 HO2 MAN 101 1.030 -8.907 7.027
241 HO3 MAN 101 HO3 MAN 101 1.702 -7.076 7.886
242 HO4 MAN 101 HO4 MAN 101 4.642 -7.253 6.838
243 HO6 MAN 101 HO6 MAN 101 5.826 -7.867 2.086
Start of MODEL 20
1 H1 THR 1 H1 THR 1 -3.779 -12.147 -1.905
2 H2 THR 1 H2 THR 1 -2.899 -11.760 -3.260
3 H3 THR 1 H3 THR 1 -4.477 -12.365 -3.423
4 HA THR 1 HA THR 1 -4.433 -9.986 -3.760
5 HB THR 1 HB THR 1 -5.958 -9.371 -1.750
6 HG1 THR 1 HG1 THR 1 -5.267 -10.888 -0.228
7 HG21 THR 1 HG21 THR 1 -6.832 -10.104 -3.921
8 HG22 THR 1 HG22 THR 1 -7.787 -10.790 -2.606
9 HG23 THR 1 HG23 THR 1 -6.603 -11.787 -3.450
10 H ALA 2 H ALA 2 -4.499 -7.890 -2.140
11 HA ALA 2 HA ALA 2 -1.771 -7.612 -1.308
12 HB1 ALA 2 HB1 ALA 2 -2.295 -5.279 -0.916
13 HB2 ALA 2 HB2 ALA 2 -4.013 -5.588 -1.078
14 HB3 ALA 2 HB3 ALA 2 -2.950 -5.767 -2.475
15 H SER 3 H SER 3 -1.024 -7.275 0.672
16 HA SER 3 HA SER 3 -2.441 -8.692 2.722
17 HB2 SER 3 HB2 SER 3 -0.178 -8.377 3.843
18 HB3 SER 3 HB3 SER 3 -0.234 -9.363 2.378
19 H HIS 4 H HIS 4 -2.628 -7.974 4.852
20 HA HIS 4 HA HIS 4 -3.562 -5.282 5.101
21 HB2 HIS 4 HB2 HIS 4 -4.512 -7.359 6.269
22 HB3 HIS 4 HB3 HIS 4 -3.123 -7.278 7.333
23 HD1 HIS 4 HD1 HIS 4 -4.663 -6.803 9.405
24 HD2 HIS 4 HD2 HIS 4 -4.918 -3.979 6.390
25 HE1 HIS 4 HE1 HIS 4 -6.121 -4.981 10.306
26 HE2 HIS 4 HE2 HIS 4 -6.566 -3.574 8.244
27 H TYR 5 H TYR 5 -2.429 -3.584 5.760
28 HA TYR 5 HA TYR 5 -0.857 -2.267 6.542
29 HB2 TYR 5 HB2 TYR 5 0.142 -4.696 8.034
30 HB3 TYR 5 HB3 TYR 5 0.993 -3.155 8.087
31 HD1 TYR 5 HD1 TYR 5 -1.971 -4.995 9.185
32 HD2 TYR 5 HD2 TYR 5 0.004 -1.232 9.192
33 HE1 TYR 5 HE1 TYR 5 -3.444 -4.220 10.996
34 HE2 TYR 5 HE2 TYR 5 -1.457 -0.457 11.003
35 HH TYR 5 HH TYR 5 -3.341 -2.523 12.815
36 H GLY 6 H GLY 6 -0.529 -4.438 4.314
37 HA2 GLY 6 HA2 GLY 6 2.250 -3.918 3.683
38 HA3 GLY 6 HA3 GLY 6 1.131 -4.988 2.831
39 H GLN 7 H GLN 7 2.592 -3.288 1.359
40 HA GLN 7 HA GLN 7 1.128 -0.883 0.845
41 HB2 GLN 7 HB2 GLN 7 3.586 -1.110 0.505
42 HB3 GLN 7 HB3 GLN 7 3.288 -2.266 -0.777
43 HG2 GLN 7 HG2 GLN 7 2.142 -0.510 -2.055
44 HG3 GLN 7 HG3 GLN 7 2.497 0.641 -0.761
45 HE21 GLN 7 HE21 GLN 7 3.802 1.973 -2.114
46 HE22 GLN 7 HE22 GLN 7 5.315 1.440 -2.647
47 H CYS 8 H CYS 8 -0.575 -0.734 -0.474
48 HA CYS 8 HA CYS 8 -1.356 -3.169 -1.965
49 HB2 CYS 8 HB2 CYS 8 -3.664 -2.373 -1.607
50 HB3 CYS 8 HB3 CYS 8 -2.763 -2.757 -0.134
51 H GLY 9 H GLY 9 -0.150 -0.218 -2.652
52 HA2 GLY 9 HA2 GLY 9 -0.620 -0.200 -5.345
53 HA3 GLY 9 HA3 GLY 9 -2.090 0.475 -4.657
54 H GLY 10 H GLY 10 1.376 0.882 -4.260
55 HA2 GLY 10 HA2 GLY 10 0.865 3.766 -4.155
56 HA3 GLY 10 HA3 GLY 10 2.288 2.966 -3.491
57 H ILE 11 H ILE 11 2.450 5.099 -5.353
58 HA ILE 11 HA ILE 11 2.835 4.180 -7.964
59 HB ILE 11 HB ILE 11 4.285 6.461 -6.560
60 HG12 ILE 11 HG12 ILE 11 1.798 6.494 -8.300
61 HG13 ILE 11 HG13 ILE 11 1.826 6.701 -6.556
62 HG21 ILE 11 HG21 ILE 11 4.719 7.332 -8.822
63 HG22 ILE 11 HG22 ILE 11 3.944 5.910 -9.515
64 HG23 ILE 11 HG23 ILE 11 5.444 5.735 -8.607
65 HD11 ILE 11 HD11 ILE 11 1.580 8.832 -7.697
66 HD12 ILE 11 HD12 ILE 11 3.082 8.545 -8.574
67 HD13 ILE 11 HD13 ILE 11 3.112 8.761 -6.823
68 H GLY 12 H GLY 12 4.223 2.786 -8.715
69 HA2 GLY 12 HA2 GLY 12 6.524 2.122 -9.081
70 HA3 GLY 12 HA3 GLY 12 6.837 2.473 -7.384
71 H TYR 13 H TYR 13 4.144 1.195 -6.819
72 HA TYR 13 HA TYR 13 5.233 -1.428 -6.311
73 HB2 TYR 13 HB2 TYR 13 3.997 -0.286 -4.550
74 HB3 TYR 13 HB3 TYR 13 2.589 -0.159 -5.585
75 HD1 TYR 13 HD1 TYR 13 4.830 -2.789 -4.113
76 HD2 TYR 13 HD2 TYR 13 0.898 -1.677 -5.281
77 HE1 TYR 13 HE1 TYR 13 3.959 -4.873 -3.141
78 HE2 TYR 13 HE2 TYR 13 0.024 -3.753 -4.334
79 HH TYR 13 HH TYR 13 0.621 -5.801 -3.629
80 H SER 14 H SER 14 5.079 -3.014 -7.690
81 HA SER 14 HA SER 14 3.055 -2.971 -9.779
82 HB2 SER 14 HB2 SER 14 4.623 -4.746 -10.718
83 HB3 SER 14 HB3 SER 14 5.234 -3.092 -10.661
84 HG SER 14 HG SER 14 6.539 -5.016 -9.785
85 H GLY 15 H GLY 15 3.377 -4.249 -6.790
86 HA2 GLY 15 HA2 GLY 15 2.692 -6.982 -7.343
87 HA3 GLY 15 HA3 GLY 15 2.742 -6.232 -5.754
88 HA PRO 16 HA PRO 16 -1.698 -7.426 -6.827
89 HB2 PRO 16 HB2 PRO 16 -2.042 -8.090 -4.133
90 HB3 PRO 16 HB3 PRO 16 -1.649 -9.233 -5.427
91 HG2 PRO 16 HG2 PRO 16 0.228 -7.790 -3.567
92 HG3 PRO 16 HG3 PRO 16 0.204 -9.525 -3.988
93 HD2 PRO 16 HD2 PRO 16 1.931 -7.958 -5.103
94 HD3 PRO 16 HD3 PRO 16 0.995 -9.049 -6.154
95 H THR 17 H THR 17 -3.071 -5.710 -6.817
96 HA THR 17 HA THR 17 -2.767 -3.713 -4.714
97 HB THR 17 HB THR 17 -4.106 -2.256 -6.266
98 HG1 THR 17 HG1 THR 17 -5.018 -3.276 -7.825
99 HG21 THR 17 HG21 THR 17 -1.670 -2.078 -6.158
100 HG22 THR 17 HG22 THR 17 -2.220 -1.846 -7.818
101 HG23 THR 17 HG23 THR 17 -1.508 -3.384 -7.329
102 H VAL 18 H VAL 18 -4.870 -6.151 -5.836
103 HA VAL 18 HA VAL 18 -7.282 -5.077 -4.685
104 HB VAL 18 HB VAL 18 -6.638 -7.906 -5.602
105 HG11 VAL 18 HG11 VAL 18 -9.072 -8.249 -5.648
106 HG12 VAL 18 HG12 VAL 18 -9.294 -6.640 -4.957
107 HG13 VAL 18 HG13 VAL 18 -8.483 -7.893 -4.022
108 HG21 VAL 18 HG21 VAL 18 -6.511 -6.307 -7.440
109 HG22 VAL 18 HG22 VAL 18 -8.112 -5.694 -7.026
110 HG23 VAL 18 HG23 VAL 18 -7.928 -7.346 -7.611
111 H CYS 19 H CYS 19 -7.461 -4.949 -2.557
112 HA CYS 19 HA CYS 19 -5.787 -6.309 -0.742
113 HB2 CYS 19 HB2 CYS 19 -8.233 -4.624 -0.350
114 HB3 CYS 19 HB3 CYS 19 -7.430 -5.444 0.987
115 H ALA 20 H ALA 20 -6.453 -7.529 1.086
116 HA ALA 20 HA ALA 20 -7.782 -9.917 0.310
117 HB1 ALA 20 HB1 ALA 20 -5.818 -9.939 1.749
118 HB2 ALA 20 HB2 ALA 20 -7.206 -10.620 2.608
119 HB3 ALA 20 HB3 ALA 20 -6.670 -8.978 2.955
120 H SER 21 H SER 21 -9.386 -10.850 1.960
121 HA SER 21 HA SER 21 -11.710 -9.277 1.967
122 HB2 SER 21 HB2 SER 21 -11.133 -11.772 3.566
123 HB3 SER 21 HB3 SER 21 -12.707 -11.187 3.026
124 HG SER 21 HG SER 21 -12.400 -12.147 1.205
125 H GLY 22 H GLY 22 -12.190 -7.680 3.362
126 HA2 GLY 22 HA2 GLY 22 -12.666 -6.860 5.495
127 HA3 GLY 22 HA3 GLY 22 -11.556 -8.042 6.173
128 H THR 23 H THR 23 -10.436 -6.208 3.482
129 HA THR 23 HA THR 23 -9.146 -4.294 5.257
130 HB THR 23 HB THR 23 -6.967 -4.630 4.055
131 HG1 THR 23 HG1 THR 23 -8.479 -6.605 2.781
132 HG21 THR 23 HG21 THR 23 -7.984 -7.069 5.521
133 HG22 THR 23 HG22 THR 23 -7.282 -5.629 6.264
134 HG23 THR 23 HG23 THR 23 -6.289 -6.668 5.249
135 H THR 24 H THR 24 -8.541 -2.311 4.207
136 HA THR 24 HA THR 24 -9.557 -2.038 1.473
137 HB THR 24 HB THR 24 -10.226 0.337 2.150
138 HG1 THR 24 HG1 THR 24 -9.419 -0.641 4.624
139 HG21 THR 24 HG21 THR 24 -12.414 -0.368 3.026
140 HG22 THR 24 HG22 THR 24 -11.746 -1.963 3.380
141 HG23 THR 24 HG23 THR 24 -11.879 -1.416 1.711
142 H CYS 25 H CYS 25 -8.234 -0.971 0.075
143 HA CYS 25 HA CYS 25 -5.594 -0.360 0.957
144 HB2 CYS 25 HB2 CYS 25 -6.104 -1.307 -1.305
145 HB3 CYS 25 HB3 CYS 25 -6.856 0.234 -1.724
146 H GLN 26 H GLN 26 -4.955 1.499 1.848
147 HA GLN 26 HA GLN 26 -6.530 3.854 1.238
148 HB2 GLN 26 HB2 GLN 26 -5.205 2.966 3.780
149 HB3 GLN 26 HB3 GLN 26 -5.855 4.578 3.554
150 HG2 GLN 26 HG2 GLN 26 -8.074 3.642 3.173
151 HG3 GLN 26 HG3 GLN 26 -7.426 2.014 3.323
152 HE21 GLN 26 HE21 GLN 26 -8.792 1.507 4.978
153 HE22 GLN 26 HE22 GLN 26 -8.609 2.125 6.570
154 H VAL 27 H VAL 27 -5.480 5.312 0.172
155 HA VAL 27 HA VAL 27 -2.650 5.210 -0.184
156 HB VAL 27 HB VAL 27 -4.675 7.300 -1.081
157 HG11 VAL 27 HG11 VAL 27 -1.788 6.969 -1.903
158 HG12 VAL 27 HG12 VAL 27 -2.420 8.254 -0.884
159 HG13 VAL 27 HG13 VAL 27 -2.926 8.142 -2.574
160 HG21 VAL 27 HG21 VAL 27 -3.300 5.101 -2.612
161 HG22 VAL 27 HG22 VAL 27 -4.388 6.301 -3.297
162 HG23 VAL 27 HG23 VAL 27 -5.000 5.114 -2.138
163 H LEU 28 H LEU 28 -1.544 5.638 1.576
164 HA LEU 28 HA LEU 28 -2.286 7.720 3.414
165 HB2 LEU 28 HB2 LEU 28 0.277 6.128 3.232
166 HB3 LEU 28 HB3 LEU 28 -0.208 7.131 4.584
167 HG LEU 28 HG LEU 28 -1.496 4.543 3.705
168 HD11 LEU 28 HD11 LEU 28 0.070 5.281 6.158
169 HD12 LEU 28 HD12 LEU 28 0.605 4.252 4.828
170 HD13 LEU 28 HD13 LEU 28 -0.720 3.731 5.868
171 HD21 LEU 28 HD21 LEU 28 -2.187 6.374 5.972
172 HD22 LEU 28 HD22 LEU 28 -2.830 4.750 5.719
173 HD23 LEU 28 HD23 LEU 28 -3.198 6.038 4.554
174 H ASN 29 H ASN 29 0.191 7.102 1.020
175 HA ASN 29 HA ASN 29 0.665 9.939 0.641
176 HB2 ASN 29 HB2 ASN 29 2.792 7.815 1.178
177 HB3 ASN 29 HB3 ASN 29 3.123 9.397 0.486
178 HD21 ASN 29 HD21 ASN 29 4.069 8.123 2.978
179 HD22 ASN 29 HD22 ASN 29 3.652 9.230 4.217
180 HA PRO 30 HA PRO 30 0.544 8.662 -3.585
181 HB2 PRO 30 HB2 PRO 30 3.078 9.473 -4.550
182 HB3 PRO 30 HB3 PRO 30 1.529 10.265 -4.788
183 HG2 PRO 30 HG2 PRO 30 3.678 11.140 -3.178
184 HG3 PRO 30 HG3 PRO 30 2.072 11.869 -3.310
185 HD2 PRO 30 HD2 PRO 30 3.238 10.357 -1.163
186 HD3 PRO 30 HD3 PRO 30 1.692 11.215 -1.172
187 H TYR 31 H TYR 31 3.840 7.976 -2.321
188 HA TYR 31 HA TYR 31 3.882 5.705 -4.122
189 HB2 TYR 31 HB2 TYR 31 5.966 6.554 -2.092
190 HB3 TYR 31 HB3 TYR 31 6.144 5.295 -3.297
191 HD1 TYR 31 HD1 TYR 31 6.290 8.846 -2.636
192 HD2 TYR 31 HD2 TYR 31 6.285 5.911 -5.702
193 HE1 TYR 31 HE1 TYR 31 7.191 10.490 -4.192
194 HE2 TYR 31 HE2 TYR 31 7.187 7.562 -7.284
195 HH TYR 31 HH TYR 31 7.276 9.986 -7.538
196 H TYR 32 H TYR 32 3.312 6.439 -0.763
197 HA TYR 32 HA TYR 32 3.288 3.567 -0.292
198 HB2 TYR 32 HB2 TYR 32 4.701 4.923 1.228
199 HB3 TYR 32 HB3 TYR 32 3.238 5.694 1.836
200 HD1 TYR 32 HD1 TYR 32 2.304 4.802 3.765
201 HD2 TYR 32 HD2 TYR 32 4.564 2.272 1.205
202 HE1 TYR 32 HE1 TYR 32 2.011 2.953 5.342
203 HE2 TYR 32 HE2 TYR 32 4.285 0.411 2.768
204 HH TYR 32 HH TYR 32 2.109 0.639 5.451
205 H SER 33 H SER 33 1.475 2.634 -0.513
206 HA SER 33 HA SER 33 -0.886 3.867 0.694
207 HB2 SER 33 HB2 SER 33 -0.843 2.163 -1.837
208 HB3 SER 33 HB3 SER 33 -2.250 2.930 -1.108
209 HG SER 33 HG SER 33 -0.523 4.866 -1.422
210 H GLN 34 H GLN 34 -1.764 2.574 2.216
211 HA GLN 34 HA GLN 34 -0.660 -0.131 2.420
212 HB2 GLN 34 HB2 GLN 34 0.390 1.178 4.112
213 HB3 GLN 34 HB3 GLN 34 -1.122 1.954 4.543
214 HG2 GLN 34 HG2 GLN 34 -1.946 -0.105 5.507
215 HG3 GLN 34 HG3 GLN 34 -0.497 -0.950 4.966
216 HE21 GLN 34 HE21 GLN 34 1.340 -0.846 6.192
217 HE22 GLN 34 HE22 GLN 34 1.416 -0.004 7.688
218 H CYS 35 H CYS 35 -2.046 -1.727 2.951
219 HA CYS 35 HA CYS 35 -4.844 -1.031 2.706
220 HB2 CYS 35 HB2 CYS 35 -3.764 -2.966 1.464
221 HB3 CYS 35 HB3 CYS 35 -3.721 -3.815 3.003
222 H LEU 36 H LEU 36 -6.149 -0.841 4.333
223 HA LEU 36 HA LEU 36 -5.381 -1.901 6.936
224 HB2 LEU 36 HB2 LEU 36 -6.517 0.810 6.268
225 HB3 LEU 36 HB3 LEU 36 -6.376 0.172 7.895
226 HG LEU 36 HG LEU 36 -4.019 0.626 6.061
227 HD11 LEU 36 HD11 LEU 36 -3.541 2.574 7.451
228 HD12 LEU 36 HD12 LEU 36 -5.056 2.320 8.321
229 HD13 LEU 36 HD13 LEU 36 -5.079 2.746 6.606
230 HD21 LEU 36 HD21 LEU 36 -2.729 0.370 8.126
231 HD22 LEU 36 HD22 LEU 36 -3.653 -1.081 7.756
232 HD23 LEU 36 HD23 LEU 36 -4.213 0.023 9.009
233 H1 MAN 101 H1 MAN 101 2.233 -8.208 3.102
234 H2 MAN 101 H2 MAN 101 2.521 -5.955 1.751
235 H3 MAN 101 H3 MAN 101 2.924 -6.045 -0.507
236 H4 MAN 101 H4 MAN 101 1.799 -7.909 -1.739
237 H5 MAN 101 H5 MAN 101 0.292 -9.255 0.121
238 H61 MAN 101 H61 MAN 101 3.005 -10.160 -0.919
239 H62 MAN 101 H62 MAN 101 1.458 -10.323 -1.775
240 HO2 MAN 101 HO2 MAN 101 4.716 -6.527 1.603
241 HO3 MAN 101 HO3 MAN 101 4.025 -8.608 -0.045
242 HO4 MAN 101 HO4 MAN 101 0.679 -6.085 -1.001
243 HO6 MAN 101 HO6 MAN 101 0.848 -11.888 -0.500