Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616876 | 5x3c RC | 36056 | 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 -2.775 4.867 8.368
2 H2 THR 1 H2 THR 1 -3.513 6.349 8.889
3 H3 THR 1 H3 THR 1 -1.851 6.126 8.999
4 HA THR 1 HA THR 1 -3.260 6.180 6.463
5 HB THR 1 HB THR 1 -1.505 8.316 7.698
6 HG1 THR 1 HG1 THR 1 -3.192 9.130 8.684
7 HG21 THR 1 HG21 THR 1 -2.603 9.738 6.022
8 HG22 THR 1 HG22 THR 1 -3.575 8.367 5.492
9 HG23 THR 1 HG23 THR 1 -1.827 8.352 5.251
10 H GLN 2 H GLN 2 -1.947 5.202 4.992
11 HA GLN 2 HA GLN 2 0.605 4.345 5.925
12 HB2 GLN 2 HB2 GLN 2 -0.940 2.892 4.594
13 HB3 GLN 2 HB3 GLN 2 -0.609 3.905 3.197
14 HG2 GLN 2 HG2 GLN 2 0.742 1.853 3.201
15 HG3 GLN 2 HG3 GLN 2 1.727 3.309 3.272
16 HE21 GLN 2 HE21 GLN 2 0.558 0.562 5.055
17 HE22 GLN 2 HE22 GLN 2 1.681 0.687 6.346
18 H SER 3 H SER 3 2.520 4.978 5.271
19 HA SER 3 HA SER 3 2.556 7.629 4.066
20 HB2 SER 3 HB2 SER 3 3.437 7.252 6.340
21 HB3 SER 3 HB3 SER 3 4.634 6.149 5.661
22 H HIS 4 H HIS 4 4.678 8.060 2.854
23 HA HIS 4 HA HIS 4 4.804 6.471 0.529
24 HB2 HIS 4 HB2 HIS 4 5.484 8.908 0.768
25 HB3 HIS 4 HB3 HIS 4 6.950 8.350 1.550
26 HD1 HIS 4 HD1 HIS 4 8.879 7.707 0.007
27 HD2 HIS 4 HD2 HIS 4 5.286 8.145 -2.012
28 HE1 HIS 4 HE1 HIS 4 9.469 7.713 -2.407
29 HE2 HIS 4 HE2 HIS 4 7.268 7.869 -3.615
30 H ALA 5 H ALA 5 5.992 4.735 0.061
31 HA ALA 5 HA ALA 5 7.469 3.078 0.109
32 HB1 ALA 5 HB1 ALA 5 9.462 3.013 1.483
33 HB2 ALA 5 HB2 ALA 5 8.815 4.265 2.544
34 HB3 ALA 5 HB3 ALA 5 9.238 4.658 0.881
35 H GLY 6 H GLY 6 5.115 3.587 2.245
36 HA2 GLY 6 HA2 GLY 6 5.607 1.142 3.760
37 HA3 GLY 6 HA3 GLY 6 4.313 2.303 4.038
38 H GLN 7 H GLN 7 3.863 -0.458 3.926
39 HA GLN 7 HA GLN 7 2.861 -1.086 1.292
40 HB2 GLN 7 HB2 GLN 7 3.865 -2.919 2.541
41 HB3 GLN 7 HB3 GLN 7 2.734 -2.679 3.866
42 HG2 GLN 7 HG2 GLN 7 0.892 -3.387 2.489
43 HG3 GLN 7 HG3 GLN 7 1.918 -3.510 1.074
44 HE21 GLN 7 HE21 GLN 7 0.274 -5.511 2.338
45 HE22 GLN 7 HE22 GLN 7 1.305 -6.822 2.768
46 H CYS 8 H CYS 8 1.140 -0.123 0.661
47 HA CYS 8 HA CYS 8 -0.858 0.860 2.507
48 HB2 CYS 8 HB2 CYS 8 -1.915 1.705 0.447
49 HB3 CYS 8 HB3 CYS 8 -0.284 2.308 0.765
50 H GLY 9 H GLY 9 -0.869 -1.659 0.003
51 HA2 GLY 9 HA2 GLY 9 -3.041 -2.903 1.312
52 HA3 GLY 9 HA3 GLY 9 -3.643 -1.900 0.004
53 H GLY 10 H GLY 10 -1.551 -4.520 0.806
54 HA2 GLY 10 HA2 GLY 10 -2.017 -5.591 -1.893
55 HA3 GLY 10 HA3 GLY 10 -0.622 -6.014 -0.890
56 H ILE 11 H ILE 11 -2.041 -8.110 -1.719
57 HA ILE 11 HA ILE 11 -4.120 -8.851 0.055
58 HB ILE 11 HB ILE 11 -2.169 -10.736 -1.341
59 HG12 ILE 11 HG12 ILE 11 -4.823 -9.674 -2.360
60 HG13 ILE 11 HG13 ILE 11 -3.248 -9.157 -2.933
61 HG21 ILE 11 HG21 ILE 11 -4.001 -12.364 -1.192
62 HG22 ILE 11 HG22 ILE 11 -4.998 -11.175 -0.358
63 HG23 ILE 11 HG23 ILE 11 -3.540 -11.794 0.414
64 HD11 ILE 11 HD11 ILE 11 -4.386 -11.931 -3.176
65 HD12 ILE 11 HD12 ILE 11 -2.799 -11.411 -3.756
66 HD13 ILE 11 HD13 ILE 11 -4.261 -10.735 -4.466
67 H GLY 12 H GLY 12 -4.043 -9.718 2.095
68 HA2 GLY 12 HA2 GLY 12 -2.945 -10.842 3.883
69 HA3 GLY 12 HA3 GLY 12 -1.402 -10.295 3.232
70 H TYR 13 H TYR 13 -2.897 -7.639 2.791
71 HA TYR 13 HA TYR 13 -2.306 -6.613 5.468
72 HB2 TYR 13 HB2 TYR 13 -1.081 -5.653 3.514
73 HB3 TYR 13 HB3 TYR 13 -2.614 -5.096 2.858
74 HD1 TYR 13 HD1 TYR 13 -0.365 -4.756 5.803
75 HD2 TYR 13 HD2 TYR 13 -3.409 -2.965 3.450
76 HE1 TYR 13 HE1 TYR 13 -0.055 -2.631 7.019
77 HE2 TYR 13 HE2 TYR 13 -3.102 -0.842 4.660
78 HH TYR 13 HH TYR 13 -2.265 -0.013 6.674
79 H SER 14 H SER 14 -4.040 -6.538 6.685
80 HA SER 14 HA SER 14 -6.644 -5.979 5.507
81 HB2 SER 14 HB2 SER 14 -7.412 -6.827 7.796
82 HB3 SER 14 HB3 SER 14 -6.657 -8.001 6.720
83 HG SER 14 HG SER 14 -5.048 -6.586 8.556
84 H GLY 15 H GLY 15 -4.217 -4.292 6.819
85 HA2 GLY 15 HA2 GLY 15 -5.649 -2.623 8.660
86 HA3 GLY 15 HA3 GLY 15 -4.019 -2.359 8.051
87 HA PRO 16 HA PRO 16 -7.072 0.754 6.192
88 HB2 PRO 16 HB2 PRO 16 -5.501 2.935 6.826
89 HB3 PRO 16 HB3 PRO 16 -6.824 2.347 7.825
90 HG2 PRO 16 HG2 PRO 16 -3.889 1.797 8.105
91 HG3 PRO 16 HG3 PRO 16 -5.089 2.161 9.365
92 HD2 PRO 16 HD2 PRO 16 -4.231 -0.319 8.900
93 HD3 PRO 16 HD3 PRO 16 -5.924 0.005 9.335
94 H THR 17 H THR 17 -6.856 0.935 4.067
95 HA THR 17 HA THR 17 -4.267 0.547 2.826
96 HB THR 17 HB THR 17 -5.741 0.240 0.818
97 HG1 THR 17 HG1 THR 17 -7.977 -0.090 1.347
98 HG21 THR 17 HG21 THR 17 -6.286 -1.492 3.238
99 HG22 THR 17 HG22 THR 17 -4.916 -1.659 2.136
100 HG23 THR 17 HG23 THR 17 -6.553 -1.965 1.559
101 H VAL 18 H VAL 18 -5.607 3.242 3.862
102 HA VAL 18 HA VAL 18 -5.438 4.727 1.383
103 HB VAL 18 HB VAL 18 -7.365 5.232 2.757
104 HG11 VAL 18 HG11 VAL 18 -7.201 6.291 4.958
105 HG12 VAL 18 HG12 VAL 18 -5.453 6.066 4.932
106 HG13 VAL 18 HG13 VAL 18 -6.523 4.667 4.955
107 HG21 VAL 18 HG21 VAL 18 -7.170 7.676 2.942
108 HG22 VAL 18 HG22 VAL 18 -6.481 7.070 1.439
109 HG23 VAL 18 HG23 VAL 18 -5.419 7.538 2.771
110 H CYS 19 H CYS 19 -3.778 5.844 0.777
111 HA CYS 19 HA CYS 19 -1.435 6.024 2.443
112 HB2 CYS 19 HB2 CYS 19 -1.952 6.945 -0.386
113 HB3 CYS 19 HB3 CYS 19 -0.396 7.015 0.429
114 H ALA 20 H ALA 20 -0.291 8.010 2.701
115 HA ALA 20 HA ALA 20 -1.855 10.183 3.618
116 HB1 ALA 20 HB1 ALA 20 1.115 10.037 3.050
117 HB2 ALA 20 HB2 ALA 20 0.333 9.622 4.576
118 HB3 ALA 20 HB3 ALA 20 0.300 11.284 3.996
119 H SER 21 H SER 21 -1.821 12.372 2.774
120 HA SER 21 HA SER 21 -2.457 12.467 0.082
121 HB2 SER 21 HB2 SER 21 -2.244 14.995 0.598
122 HB3 SER 21 HB3 SER 21 -3.499 14.048 1.399
123 HG SER 21 HG SER 21 -1.533 15.445 2.476
124 H GLY 22 H GLY 22 -1.334 12.823 -1.675
125 HA2 GLY 22 HA2 GLY 22 0.450 13.931 -2.822
126 HA3 GLY 22 HA3 GLY 22 1.463 13.656 -1.403
127 H THR 23 H THR 23 0.011 10.931 -1.280
128 HA THR 23 HA THR 23 1.677 9.657 -3.327
129 HB THR 23 HB THR 23 2.171 7.812 -1.743
130 HG1 THR 23 HG1 THR 23 0.505 9.354 -0.047
131 HG21 THR 23 HG21 THR 23 2.896 10.530 -0.646
132 HG22 THR 23 HG22 THR 23 3.747 9.674 -1.930
133 HG23 THR 23 HG23 THR 23 3.724 9.011 -0.292
134 H THR 24 H THR 24 0.949 7.636 -4.113
135 HA THR 24 HA THR 24 -1.912 7.119 -3.671
136 HB THR 24 HB THR 24 -1.876 6.210 -6.028
137 HG1 THR 24 HG1 THR 24 0.800 6.946 -5.833
138 HG21 THR 24 HG21 THR 24 -1.213 9.144 -5.723
139 HG22 THR 24 HG22 THR 24 -2.812 8.422 -5.561
140 HG23 THR 24 HG23 THR 24 -1.996 8.414 -7.125
141 H CYS 25 H CYS 25 -2.514 4.856 -3.597
142 HA CYS 25 HA CYS 25 -0.392 3.171 -2.686
143 HB2 CYS 25 HB2 CYS 25 -2.709 2.975 -1.750
144 HB3 CYS 25 HB3 CYS 25 -3.256 2.434 -3.333
145 H GLN 26 H GLN 26 1.026 2.494 -4.127
146 HA GLN 26 HA GLN 26 0.027 1.715 -6.720
147 HB2 GLN 26 HB2 GLN 26 2.803 2.393 -5.784
148 HB3 GLN 26 HB3 GLN 26 2.431 1.749 -7.380
149 HG2 GLN 26 HG2 GLN 26 1.359 4.322 -6.250
150 HG3 GLN 26 HG3 GLN 26 2.688 4.192 -7.394
151 HE21 GLN 26 HE21 GLN 26 0.128 5.547 -7.684
152 HE22 GLN 26 HE22 GLN 26 -0.621 4.855 -9.079
153 H VAL 27 H VAL 27 -0.443 -0.217 -6.911
154 HA VAL 27 HA VAL 27 0.602 -2.282 -5.227
155 HB VAL 27 HB VAL 27 -1.206 -2.446 -7.664
156 HG11 VAL 27 HG11 VAL 27 -1.840 -4.658 -6.802
157 HG12 VAL 27 HG12 VAL 27 -0.633 -4.494 -5.526
158 HG13 VAL 27 HG13 VAL 27 -0.126 -4.580 -7.212
159 HG21 VAL 27 HG21 VAL 27 -3.044 -2.620 -6.067
160 HG22 VAL 27 HG22 VAL 27 -2.141 -1.109 -5.838
161 HG23 VAL 27 HG23 VAL 27 -1.902 -2.454 -4.731
162 H LEU 28 H LEU 28 2.402 -3.332 -5.625
163 HA LEU 28 HA LEU 28 3.557 -3.201 -8.326
164 HB2 LEU 28 HB2 LEU 28 4.891 -3.891 -5.688
165 HB3 LEU 28 HB3 LEU 28 5.696 -3.758 -7.235
166 HG LEU 28 HG LEU 28 4.428 -1.487 -5.698
167 HD11 LEU 28 HD11 LEU 28 6.730 -0.715 -5.412
168 HD12 LEU 28 HD12 LEU 28 7.316 -2.173 -6.212
169 HD13 LEU 28 HD13 LEU 28 6.470 -2.292 -4.667
170 HD21 LEU 28 HD21 LEU 28 5.455 -0.042 -7.384
171 HD22 LEU 28 HD22 LEU 28 4.268 -1.129 -8.107
172 HD23 LEU 28 HD23 LEU 28 5.993 -1.465 -8.281
173 H ASN 29 H ASN 29 3.671 -5.331 -5.565
174 HA ASN 29 HA ASN 29 3.295 -7.652 -7.296
175 HB2 ASN 29 HB2 ASN 29 4.043 -7.442 -4.353
176 HB3 ASN 29 HB3 ASN 29 3.765 -8.940 -5.225
177 HD21 ASN 29 HD21 ASN 29 5.972 -6.281 -4.743
178 HD22 ASN 29 HD22 ASN 29 7.266 -6.993 -5.612
179 HA PRO 30 HA PRO 30 -0.950 -7.949 -6.014
180 HB2 PRO 30 HB2 PRO 30 -0.610 -10.752 -5.107
181 HB3 PRO 30 HB3 PRO 30 -1.666 -10.106 -6.365
182 HG2 PRO 30 HG2 PRO 30 0.508 -11.531 -6.995
183 HG3 PRO 30 HG3 PRO 30 -0.007 -10.141 -7.971
184 HD2 PRO 30 HD2 PRO 30 2.179 -10.318 -5.936
185 HD3 PRO 30 HD3 PRO 30 2.179 -9.506 -7.517
186 H TYR 31 H TYR 31 1.447 -9.260 -3.805
187 HA TYR 31 HA TYR 31 -0.355 -8.735 -1.567
188 HB2 TYR 31 HB2 TYR 31 2.302 -10.190 -1.615
189 HB3 TYR 31 HB3 TYR 31 1.278 -9.993 -0.206
190 HD1 TYR 31 HD1 TYR 31 1.194 -11.416 -3.673
191 HD2 TYR 31 HD2 TYR 31 -0.266 -11.649 0.313
192 HE1 TYR 31 HE1 TYR 31 0.009 -13.489 -4.241
193 HE2 TYR 31 HE2 TYR 31 -1.457 -13.719 -0.251
194 HH TYR 31 HH TYR 31 -0.868 -15.445 -3.095
195 H TYR 32 H TYR 32 2.535 -7.526 -3.093
196 HA TYR 32 HA TYR 32 2.847 -5.699 -0.831
197 HB2 TYR 32 HB2 TYR 32 4.911 -6.950 -1.326
198 HB3 TYR 32 HB3 TYR 32 4.928 -6.283 -2.954
199 HD1 TYR 32 HD1 TYR 32 6.039 -4.281 -3.372
200 HD2 TYR 32 HD2 TYR 32 4.947 -5.236 0.624
201 HE1 TYR 32 HE1 TYR 32 7.270 -2.311 -2.563
202 HE2 TYR 32 HE2 TYR 32 6.173 -3.274 1.439
203 HH TYR 32 HH TYR 32 7.911 -1.777 0.769
204 H SER 33 H SER 33 1.929 -3.849 -1.047
205 HA SER 33 HA SER 33 2.088 -2.448 -3.616
206 HB2 SER 33 HB2 SER 33 -0.128 -2.232 -1.561
207 HB3 SER 33 HB3 SER 33 -0.091 -1.500 -3.166
208 HG SER 33 HG SER 33 -1.341 -3.488 -2.928
209 H GLN 34 H GLN 34 2.602 -0.210 -3.359
210 HA GLN 34 HA GLN 34 3.455 0.519 -0.641
211 HB2 GLN 34 HB2 GLN 34 5.348 -0.392 -1.921
212 HB3 GLN 34 HB3 GLN 34 5.059 0.801 -3.179
213 HG2 GLN 34 HG2 GLN 34 5.503 2.580 -1.526
214 HG3 GLN 34 HG3 GLN 34 5.900 1.337 -0.348
215 HE21 GLN 34 HE21 GLN 34 7.232 -0.365 -2.298
216 HE22 GLN 34 HE22 GLN 34 8.717 0.420 -2.691
217 H CYS 35 H CYS 35 3.129 2.667 -0.160
218 HA CYS 35 HA CYS 35 1.602 4.253 -1.982
219 HB2 CYS 35 HB2 CYS 35 2.916 5.069 0.613
220 HB3 CYS 35 HB3 CYS 35 1.779 6.050 -0.301
221 H LEU 36 H LEU 36 2.379 5.239 -3.638
222 HA LEU 36 HA LEU 36 4.982 6.528 -3.482
223 HB2 LEU 36 HB2 LEU 36 3.731 5.116 -5.847
224 HB3 LEU 36 HB3 LEU 36 5.209 6.057 -5.913
225 HG LEU 36 HG LEU 36 4.838 3.490 -4.358
226 HD11 LEU 36 HD11 LEU 36 4.836 3.107 -6.760
227 HD12 LEU 36 HD12 LEU 36 6.332 2.517 -6.034
228 HD13 LEU 36 HD13 LEU 36 6.322 4.042 -6.920
229 HD21 LEU 36 HD21 LEU 36 7.255 3.588 -4.037
230 HD22 LEU 36 HD22 LEU 36 6.473 4.994 -3.319
231 HD23 LEU 36 HD23 LEU 36 7.322 5.143 -4.859
232 H1 MAN 101 H1 MAN 101 5.140 8.524 7.204
233 H2 MAN 101 H2 MAN 101 5.904 10.496 5.781
234 H3 MAN 101 H3 MAN 101 7.043 9.252 4.012
235 H4 MAN 101 H4 MAN 101 9.018 8.474 6.189
236 H5 MAN 101 H5 MAN 101 7.016 6.822 4.543
237 H61 MAN 101 H61 MAN 101 8.945 6.029 6.756
238 H62 MAN 101 H62 MAN 101 9.082 5.555 5.041
239 HO2 MAN 101 HO2 MAN 101 7.763 9.263 7.586
240 HO3 MAN 101 HO3 MAN 101 8.760 10.782 5.712
241 HO4 MAN 101 HO4 MAN 101 9.848 8.930 4.140
242 HO6 MAN 101 HO6 MAN 101 6.794 4.962 6.680
Start of MODEL 2
1 H1 THR 1 H1 THR 1 -2.771 4.523 9.385
2 H2 THR 1 H2 THR 1 -3.151 6.109 9.910
3 H3 THR 1 H3 THR 1 -1.558 5.543 9.953
4 HA THR 1 HA THR 1 -3.071 5.966 7.496
5 HB THR 1 HB THR 1 -0.841 7.631 8.722
6 HG1 THR 1 HG1 THR 1 -2.529 9.072 9.313
7 HG21 THR 1 HG21 THR 1 -2.872 8.241 6.546
8 HG22 THR 1 HG22 THR 1 -1.178 7.847 6.269
9 HG23 THR 1 HG23 THR 1 -1.609 9.333 7.116
10 H GLN 2 H GLN 2 -1.462 5.830 5.623
11 HA GLN 2 HA GLN 2 0.989 4.455 6.392
12 HB2 GLN 2 HB2 GLN 2 -0.753 2.948 5.300
13 HB3 GLN 2 HB3 GLN 2 -0.587 3.938 3.856
14 HG2 GLN 2 HG2 GLN 2 0.756 1.935 3.660
15 HG3 GLN 2 HG3 GLN 2 1.794 3.360 3.751
16 HE21 GLN 2 HE21 GLN 2 0.750 0.492 5.350
17 HE22 GLN 2 HE22 GLN 2 1.905 0.488 6.618
18 H SER 3 H SER 3 2.808 5.300 5.400
19 HA SER 3 HA SER 3 2.267 7.678 3.783
20 HB2 SER 3 HB2 SER 3 4.647 7.058 5.530
21 HB3 SER 3 HB3 SER 3 4.445 8.509 4.549
22 H HIS 4 H HIS 4 4.613 8.225 2.594
23 HA HIS 4 HA HIS 4 4.605 6.571 0.350
24 HB2 HIS 4 HB2 HIS 4 5.427 8.972 0.465
25 HB3 HIS 4 HB3 HIS 4 6.886 8.360 1.223
26 HD1 HIS 4 HD1 HIS 4 8.701 7.454 -0.314
27 HD2 HIS 4 HD2 HIS 4 5.134 8.237 -2.285
28 HE1 HIS 4 HE1 HIS 4 9.201 7.188 -2.736
29 HE2 HIS 4 HE2 HIS 4 7.164 8.108 -3.847
30 H ALA 5 H ALA 5 5.641 4.830 -0.195
31 HA ALA 5 HA ALA 5 7.004 3.081 -0.297
32 HB1 ALA 5 HB1 ALA 5 9.124 2.914 0.866
33 HB2 ALA 5 HB2 ALA 5 8.664 4.221 1.959
34 HB3 ALA 5 HB3 ALA 5 8.922 4.556 0.247
35 H GLY 6 H GLY 6 5.028 3.788 2.218
36 HA2 GLY 6 HA2 GLY 6 5.546 1.380 3.709
37 HA3 GLY 6 HA3 GLY 6 4.251 2.540 3.990
38 H GLN 7 H GLN 7 4.225 -0.431 3.730
39 HA GLN 7 HA GLN 7 2.951 -1.152 1.320
40 HB2 GLN 7 HB2 GLN 7 3.883 -2.865 2.778
41 HB3 GLN 7 HB3 GLN 7 2.757 -2.430 4.054
42 HG2 GLN 7 HG2 GLN 7 0.898 -3.193 2.728
43 HG3 GLN 7 HG3 GLN 7 1.937 -3.597 1.374
44 HE21 GLN 7 HE21 GLN 7 1.409 -5.846 1.422
45 HE22 GLN 7 HE22 GLN 7 1.870 -6.845 2.722
46 H CYS 8 H CYS 8 1.202 -0.297 0.600
47 HA CYS 8 HA CYS 8 -0.700 0.951 2.393
48 HB2 CYS 8 HB2 CYS 8 -1.739 1.781 0.322
49 HB3 CYS 8 HB3 CYS 8 -0.036 2.201 0.469
50 H GLY 9 H GLY 9 -0.742 -1.722 0.056
51 HA2 GLY 9 HA2 GLY 9 -2.889 -2.944 1.381
52 HA3 GLY 9 HA3 GLY 9 -3.523 -1.942 0.085
53 H GLY 10 H GLY 10 -1.546 -4.626 0.899
54 HA2 GLY 10 HA2 GLY 10 -1.723 -5.541 -1.874
55 HA3 GLY 10 HA3 GLY 10 -0.592 -6.155 -0.666
56 H ILE 11 H ILE 11 -1.929 -8.064 -1.824
57 HA ILE 11 HA ILE 11 -4.412 -8.696 -0.637
58 HB ILE 11 HB ILE 11 -2.308 -10.594 -1.740
59 HG12 ILE 11 HG12 ILE 11 -4.702 -9.334 -3.092
60 HG13 ILE 11 HG13 ILE 11 -3.029 -8.876 -3.355
61 HG21 ILE 11 HG21 ILE 11 -5.268 -11.008 -1.277
62 HG22 ILE 11 HG22 ILE 11 -3.964 -11.747 -0.349
63 HG23 ILE 11 HG23 ILE 11 -4.178 -12.160 -2.051
64 HD11 ILE 11 HD11 ILE 11 -2.562 -11.093 -4.260
65 HD12 ILE 11 HD12 ILE 11 -3.841 -10.271 -5.155
66 HD13 ILE 11 HD13 ILE 11 -4.248 -11.546 -4.002
67 H GLY 12 H GLY 12 -4.879 -9.437 1.347
68 HA2 GLY 12 HA2 GLY 12 -4.479 -10.768 3.257
69 HA3 GLY 12 HA3 GLY 12 -2.753 -10.663 2.934
70 H TYR 13 H TYR 13 -3.353 -7.690 2.407
71 HA TYR 13 HA TYR 13 -2.745 -6.904 5.123
72 HB2 TYR 13 HB2 TYR 13 -1.407 -6.074 3.178
73 HB3 TYR 13 HB3 TYR 13 -2.833 -5.231 2.600
74 HD1 TYR 13 HD1 TYR 13 -0.487 -5.422 5.471
75 HD2 TYR 13 HD2 TYR 13 -3.263 -3.027 3.326
76 HE1 TYR 13 HE1 TYR 13 0.202 -3.463 6.774
77 HE2 TYR 13 HE2 TYR 13 -2.572 -1.056 4.617
78 HH TYR 13 HH TYR 13 -1.542 -0.485 6.635
79 H SER 14 H SER 14 -4.440 -6.582 6.419
80 HA SER 14 HA SER 14 -6.916 -5.551 5.301
81 HB2 SER 14 HB2 SER 14 -7.829 -6.285 7.522
82 HB3 SER 14 HB3 SER 14 -7.143 -7.589 6.552
83 HG SER 14 HG SER 14 -6.300 -6.466 8.913
84 H GLY 15 H GLY 15 -4.205 -4.336 6.484
85 HA2 GLY 15 HA2 GLY 15 -5.124 -2.509 8.478
86 HA3 GLY 15 HA3 GLY 15 -3.565 -2.478 7.665
87 HA PRO 16 HA PRO 16 -6.307 1.098 6.281
88 HB2 PRO 16 HB2 PRO 16 -4.366 2.999 6.726
89 HB3 PRO 16 HB3 PRO 16 -5.632 2.582 7.882
90 HG2 PRO 16 HG2 PRO 16 -2.787 1.675 7.778
91 HG3 PRO 16 HG3 PRO 16 -3.780 2.116 9.179
92 HD2 PRO 16 HD2 PRO 16 -3.284 -0.442 8.538
93 HD3 PRO 16 HD3 PRO 16 -4.834 0.066 9.242
94 H THR 17 H THR 17 -6.320 1.221 4.163
95 HA THR 17 HA THR 17 -3.906 0.873 2.625
96 HB THR 17 HB THR 17 -5.584 0.770 0.721
97 HG1 THR 17 HG1 THR 17 -7.647 0.972 1.136
98 HG21 THR 17 HG21 THR 17 -6.040 -1.178 2.995
99 HG22 THR 17 HG22 THR 17 -4.741 -1.281 1.808
100 HG23 THR 17 HG23 THR 17 -6.421 -1.463 1.294
101 H VAL 18 H VAL 18 -5.413 3.315 4.066
102 HA VAL 18 HA VAL 18 -5.455 5.226 1.954
103 HB VAL 18 HB VAL 18 -7.093 5.423 3.755
104 HG11 VAL 18 HG11 VAL 18 -5.855 4.569 5.639
105 HG12 VAL 18 HG12 VAL 18 -6.510 6.162 6.013
106 HG13 VAL 18 HG13 VAL 18 -4.802 5.981 5.618
107 HG21 VAL 18 HG21 VAL 18 -6.853 7.819 4.276
108 HG22 VAL 18 HG22 VAL 18 -6.519 7.454 2.583
109 HG23 VAL 18 HG23 VAL 18 -5.187 7.751 3.699
110 H CYS 19 H CYS 19 -3.714 5.963 1.095
111 HA CYS 19 HA CYS 19 -1.233 6.186 2.531
112 HB2 CYS 19 HB2 CYS 19 -1.992 6.926 -0.303
113 HB3 CYS 19 HB3 CYS 19 -0.367 6.993 0.362
114 H ALA 20 H ALA 20 -0.138 8.121 2.833
115 HA ALA 20 HA ALA 20 -1.563 10.357 3.671
116 HB1 ALA 20 HB1 ALA 20 0.594 11.520 3.725
117 HB2 ALA 20 HB2 ALA 20 1.310 10.252 2.731
118 HB3 ALA 20 HB3 ALA 20 0.744 9.881 4.361
119 H SER 21 H SER 21 -1.985 12.368 2.755
120 HA SER 21 HA SER 21 -2.913 12.446 0.188
121 HB2 SER 21 HB2 SER 21 -2.000 14.761 1.900
122 HB3 SER 21 HB3 SER 21 -3.171 14.830 0.580
123 HG SER 21 HG SER 21 -4.523 13.497 1.740
124 H GLY 22 H GLY 22 -1.900 12.443 -1.690
125 HA2 GLY 22 HA2 GLY 22 -0.468 13.682 -3.216
126 HA3 GLY 22 HA3 GLY 22 0.698 13.804 -1.910
127 H THR 23 H THR 23 -0.267 10.838 -1.390
128 HA THR 23 HA THR 23 1.498 9.681 -3.433
129 HB THR 23 HB THR 23 2.169 7.947 -1.787
130 HG1 THR 23 HG1 THR 23 0.423 9.421 -0.104
131 HG21 THR 23 HG21 THR 23 2.608 10.766 -0.808
132 HG22 THR 23 HG22 THR 23 3.572 9.920 -2.020
133 HG23 THR 23 HG23 THR 23 3.564 9.359 -0.345
134 H THR 24 H THR 24 0.909 7.620 -4.278
135 HA THR 24 HA THR 24 -1.910 6.988 -3.778
136 HB THR 24 HB THR 24 -1.904 6.046 -6.112
137 HG1 THR 24 HG1 THR 24 0.760 6.959 -6.013
138 HG21 THR 24 HG21 THR 24 -2.066 8.243 -7.225
139 HG22 THR 24 HG22 THR 24 -1.282 8.989 -5.833
140 HG23 THR 24 HG23 THR 24 -2.867 8.235 -5.653
141 H CYS 25 H CYS 25 -2.517 4.771 -3.722
142 HA CYS 25 HA CYS 25 -0.451 3.073 -2.668
143 HB2 CYS 25 HB2 CYS 25 -2.738 2.959 -1.745
144 HB3 CYS 25 HB3 CYS 25 -3.356 2.470 -3.318
145 H GLN 26 H GLN 26 1.005 2.335 -4.125
146 HA GLN 26 HA GLN 26 -0.096 1.477 -6.657
147 HB2 GLN 26 HB2 GLN 26 2.752 2.199 -5.989
148 HB3 GLN 26 HB3 GLN 26 2.206 1.609 -7.553
149 HG2 GLN 26 HG2 GLN 26 0.633 3.572 -7.629
150 HG3 GLN 26 HG3 GLN 26 1.463 4.192 -6.208
151 HE21 GLN 26 HE21 GLN 26 2.193 6.004 -7.277
152 HE22 GLN 26 HE22 GLN 26 3.442 5.949 -8.459
153 H VAL 27 H VAL 27 -0.288 -0.459 -7.089
154 HA VAL 27 HA VAL 27 0.679 -2.502 -5.299
155 HB VAL 27 HB VAL 27 -1.096 -2.697 -7.748
156 HG11 VAL 27 HG11 VAL 27 0.023 -4.819 -7.315
157 HG12 VAL 27 HG12 VAL 27 -1.691 -4.933 -6.926
158 HG13 VAL 27 HG13 VAL 27 -0.501 -4.768 -5.633
159 HG21 VAL 27 HG21 VAL 27 -2.911 -2.985 -6.130
160 HG22 VAL 27 HG22 VAL 27 -2.133 -1.409 -5.985
161 HG23 VAL 27 HG23 VAL 27 -1.780 -2.684 -4.815
162 H LEU 28 H LEU 28 2.685 -3.003 -5.562
163 HA LEU 28 HA LEU 28 3.908 -3.141 -8.179
164 HB2 LEU 28 HB2 LEU 28 5.069 -3.918 -5.491
165 HB3 LEU 28 HB3 LEU 28 5.962 -3.646 -6.964
166 HG LEU 28 HG LEU 28 4.546 -1.570 -5.303
167 HD11 LEU 28 HD11 LEU 28 6.802 -0.722 -4.923
168 HD12 LEU 28 HD12 LEU 28 7.456 -2.087 -5.829
169 HD13 LEU 28 HD13 LEU 28 6.585 -2.365 -4.319
170 HD21 LEU 28 HD21 LEU 28 4.388 -0.987 -7.669
171 HD22 LEU 28 HD22 LEU 28 6.123 -1.229 -7.857
172 HD23 LEU 28 HD23 LEU 28 5.519 0.081 -6.840
173 H ASN 29 H ASN 29 3.933 -5.359 -5.444
174 HA ASN 29 HA ASN 29 3.565 -7.616 -7.257
175 HB2 ASN 29 HB2 ASN 29 4.340 -7.537 -4.324
176 HB3 ASN 29 HB3 ASN 29 4.180 -9.000 -5.289
177 HD21 ASN 29 HD21 ASN 29 6.165 -6.321 -4.469
178 HD22 ASN 29 HD22 ASN 29 7.526 -6.792 -5.392
179 HA PRO 30 HA PRO 30 -0.640 -8.228 -5.946
180 HB2 PRO 30 HB2 PRO 30 0.044 -10.893 -4.805
181 HB3 PRO 30 HB3 PRO 30 -1.195 -10.461 -5.990
182 HG2 PRO 30 HG2 PRO 30 1.014 -11.691 -6.766
183 HG3 PRO 30 HG3 PRO 30 0.312 -10.389 -7.745
184 HD2 PRO 30 HD2 PRO 30 2.670 -10.328 -5.911
185 HD3 PRO 30 HD3 PRO 30 2.466 -9.548 -7.494
186 H TYR 31 H TYR 31 1.708 -9.428 -3.500
187 HA TYR 31 HA TYR 31 -0.212 -8.701 -1.418
188 HB2 TYR 31 HB2 TYR 31 2.458 -10.110 -1.075
189 HB3 TYR 31 HB3 TYR 31 1.180 -9.941 0.112
190 HD1 TYR 31 HD1 TYR 31 2.237 -11.704 -2.927
191 HD2 TYR 31 HD2 TYR 31 -0.796 -11.327 0.023
192 HE1 TYR 31 HE1 TYR 31 1.244 -13.820 -3.681
193 HE2 TYR 31 HE2 TYR 31 -1.792 -13.441 -0.723
194 HH TYR 31 HH TYR 31 -1.852 -14.752 -2.759
195 H TYR 32 H TYR 32 2.817 -7.688 -2.803
196 HA TYR 32 HA TYR 32 3.034 -5.737 -0.648
197 HB2 TYR 32 HB2 TYR 32 5.077 -7.054 -1.061
198 HB3 TYR 32 HB3 TYR 32 5.143 -6.435 -2.707
199 HD1 TYR 32 HD1 TYR 32 5.105 -5.295 0.836
200 HD2 TYR 32 HD2 TYR 32 6.304 -4.460 -3.163
201 HE1 TYR 32 HE1 TYR 32 6.363 -3.337 1.628
202 HE2 TYR 32 HE2 TYR 32 7.563 -2.511 -2.372
203 HH TYR 32 HH TYR 32 7.580 -0.989 -0.527
204 H SER 33 H SER 33 2.161 -3.899 -0.978
205 HA SER 33 HA SER 33 2.400 -2.577 -3.566
206 HB2 SER 33 HB2 SER 33 -0.070 -2.633 -1.801
207 HB3 SER 33 HB3 SER 33 0.067 -1.881 -3.391
208 HG SER 33 HG SER 33 0.745 -4.382 -3.782
209 H GLN 34 H GLN 34 2.799 -0.293 -3.204
210 HA GLN 34 HA GLN 34 2.865 0.482 -0.401
211 HB2 GLN 34 HB2 GLN 34 5.124 1.414 -0.584
212 HB3 GLN 34 HB3 GLN 34 5.115 -0.325 -0.801
213 HG2 GLN 34 HG2 GLN 34 5.331 -0.037 -3.209
214 HG3 GLN 34 HG3 GLN 34 5.288 1.716 -3.000
215 HE21 GLN 34 HE21 GLN 34 7.080 2.752 -2.167
216 HE22 GLN 34 HE22 GLN 34 8.617 1.990 -2.020
217 H CYS 35 H CYS 35 2.914 2.687 -0.021
218 HA CYS 35 HA CYS 35 1.465 4.209 -1.930
219 HB2 CYS 35 HB2 CYS 35 2.824 5.127 0.604
220 HB3 CYS 35 HB3 CYS 35 1.625 6.034 -0.309
221 H LEU 36 H LEU 36 2.274 5.137 -3.615
222 HA LEU 36 HA LEU 36 4.874 6.420 -3.470
223 HB2 LEU 36 HB2 LEU 36 3.688 4.925 -5.821
224 HB3 LEU 36 HB3 LEU 36 5.162 5.863 -5.870
225 HG LEU 36 HG LEU 36 4.746 3.336 -4.273
226 HD11 LEU 36 HD11 LEU 36 4.837 2.920 -6.674
227 HD12 LEU 36 HD12 LEU 36 6.297 2.334 -5.876
228 HD13 LEU 36 HD13 LEU 36 6.334 3.845 -6.784
229 HD21 LEU 36 HD21 LEU 36 7.171 3.459 -3.906
230 HD22 LEU 36 HD22 LEU 36 6.314 4.818 -3.180
231 HD23 LEU 36 HD23 LEU 36 7.194 5.035 -4.694
232 H1 MAN 101 H1 MAN 101 4.907 8.597 7.317
233 H2 MAN 101 H2 MAN 101 2.890 8.817 8.792
234 H3 MAN 101 H3 MAN 101 1.423 10.026 7.224
235 H4 MAN 101 H4 MAN 101 3.382 12.308 7.675
236 H5 MAN 101 H5 MAN 101 2.746 10.682 5.157
237 H61 MAN 101 H61 MAN 101 3.368 13.049 4.721
238 H62 MAN 101 H62 MAN 101 4.541 11.905 4.064
239 HO2 MAN 101 HO2 MAN 101 3.622 10.703 9.796
240 HO3 MAN 101 HO3 MAN 101 0.872 11.726 8.719
241 HO4 MAN 101 HO4 MAN 101 1.992 13.363 6.197
242 HO6 MAN 101 HO6 MAN 101 5.589 12.238 6.304
Start of MODEL 3
1 H1 THR 1 H1 THR 1 -2.499 6.278 8.900
2 H2 THR 1 H2 THR 1 -3.102 4.847 8.251
3 H3 THR 1 H3 THR 1 -4.100 6.239 8.439
4 HA THR 1 HA THR 1 -3.471 6.000 6.169
5 HB THR 1 HB THR 1 -2.182 8.341 7.595
6 HG1 THR 1 HG1 THR 1 -4.342 9.153 7.636
7 HG21 THR 1 HG21 THR 1 -1.915 8.285 5.133
8 HG22 THR 1 HG22 THR 1 -2.978 9.597 5.648
9 HG23 THR 1 HG23 THR 1 -3.663 8.124 4.964
10 H GLN 2 H GLN 2 -1.978 4.977 4.968
11 HA GLN 2 HA GLN 2 0.555 4.341 6.118
12 HB2 GLN 2 HB2 GLN 2 -0.774 2.720 4.767
13 HB3 GLN 2 HB3 GLN 2 -0.488 3.708 3.345
14 HG2 GLN 2 HG2 GLN 2 1.025 1.796 3.413
15 HG3 GLN 2 HG3 GLN 2 1.915 3.312 3.537
16 HE21 GLN 2 HE21 GLN 2 0.917 0.453 5.183
17 HE22 GLN 2 HE22 GLN 2 1.926 0.610 6.556
18 H SER 3 H SER 3 2.532 4.900 5.365
19 HA SER 3 HA SER 3 2.632 7.558 4.150
20 HB2 SER 3 HB2 SER 3 3.492 7.389 6.375
21 HB3 SER 3 HB3 SER 3 4.430 5.964 5.942
22 H HIS 4 H HIS 4 4.774 7.901 2.938
23 HA HIS 4 HA HIS 4 4.921 6.236 0.680
24 HB2 HIS 4 HB2 HIS 4 5.643 8.549 0.517
25 HB3 HIS 4 HB3 HIS 4 6.853 8.289 1.764
26 HD1 HIS 4 HD1 HIS 4 9.137 8.294 0.738
27 HD2 HIS 4 HD2 HIS 4 6.316 6.581 -1.782
28 HE1 HIS 4 HE1 HIS 4 10.407 7.531 -1.269
29 HE2 HIS 4 HE2 HIS 4 8.609 6.908 -2.896
30 H ALA 5 H ALA 5 6.061 4.499 0.209
31 HA ALA 5 HA ALA 5 7.518 2.821 0.226
32 HB1 ALA 5 HB1 ALA 5 8.955 4.101 2.561
33 HB2 ALA 5 HB2 ALA 5 9.302 4.424 0.865
34 HB3 ALA 5 HB3 ALA 5 9.570 2.810 1.524
35 H GLY 6 H GLY 6 5.167 3.260 2.202
36 HA2 GLY 6 HA2 GLY 6 5.689 0.865 3.820
37 HA3 GLY 6 HA3 GLY 6 4.422 2.052 4.121
38 H GLN 7 H GLN 7 3.847 -0.678 3.990
39 HA GLN 7 HA GLN 7 2.857 -1.274 1.345
40 HB2 GLN 7 HB2 GLN 7 3.787 -3.059 2.777
41 HB3 GLN 7 HB3 GLN 7 2.528 -2.756 3.958
42 HG2 GLN 7 HG2 GLN 7 0.840 -3.544 2.454
43 HG3 GLN 7 HG3 GLN 7 2.005 -3.716 1.143
44 HE21 GLN 7 HE21 GLN 7 0.323 -5.795 2.340
45 HE22 GLN 7 HE22 GLN 7 1.402 -6.962 2.994
46 H CYS 8 H CYS 8 1.091 -0.368 0.682
47 HA CYS 8 HA CYS 8 -0.764 0.780 2.584
48 HB2 CYS 8 HB2 CYS 8 -1.833 1.748 0.593
49 HB3 CYS 8 HB3 CYS 8 -0.133 2.174 0.779
50 H GLY 9 H GLY 9 -0.823 -1.846 0.230
51 HA2 GLY 9 HA2 GLY 9 -2.975 -3.100 1.478
52 HA3 GLY 9 HA3 GLY 9 -3.649 -2.027 0.265
53 H GLY 10 H GLY 10 -1.491 -4.687 0.789
54 HA2 GLY 10 HA2 GLY 10 -2.063 -5.580 -1.952
55 HA3 GLY 10 HA3 GLY 10 -0.607 -6.028 -1.048
56 H ILE 11 H ILE 11 -2.019 -8.110 -1.950
57 HA ILE 11 HA ILE 11 -4.132 -9.051 -0.419
58 HB ILE 11 HB ILE 11 -1.882 -10.697 -1.631
59 HG12 ILE 11 HG12 ILE 11 -4.607 -10.010 -2.768
60 HG13 ILE 11 HG13 ILE 11 -3.090 -9.270 -3.269
61 HG21 ILE 11 HG21 ILE 11 -3.471 -12.572 -1.596
62 HG22 ILE 11 HG22 ILE 11 -4.653 -11.552 -0.779
63 HG23 ILE 11 HG23 ILE 11 -3.147 -11.976 0.035
64 HD11 ILE 11 HD11 ILE 11 -3.823 -12.180 -3.557
65 HD12 ILE 11 HD12 ILE 11 -2.301 -11.448 -4.064
66 HD13 ILE 11 HD13 ILE 11 -3.808 -10.976 -4.846
67 H GLY 12 H GLY 12 -4.219 -9.180 1.715
68 HA2 GLY 12 HA2 GLY 12 -3.543 -10.548 3.620
69 HA3 GLY 12 HA3 GLY 12 -1.879 -10.283 3.119
70 H TYR 13 H TYR 13 -3.098 -7.386 2.595
71 HA TYR 13 HA TYR 13 -2.428 -6.527 5.314
72 HB2 TYR 13 HB2 TYR 13 -1.078 -5.596 3.449
73 HB3 TYR 13 HB3 TYR 13 -2.537 -4.894 2.762
74 HD1 TYR 13 HD1 TYR 13 -0.214 -4.765 5.644
75 HD2 TYR 13 HD2 TYR 13 -3.358 -2.808 3.565
76 HE1 TYR 13 HE1 TYR 13 0.190 -2.726 6.962
77 HE2 TYR 13 HE2 TYR 13 -2.967 -0.775 4.874
78 HH TYR 13 HH TYR 13 -1.988 -0.008 6.778
79 H SER 14 H SER 14 -4.123 -6.256 6.557
80 HA SER 14 HA SER 14 -6.624 -5.384 5.342
81 HB2 SER 14 HB2 SER 14 -7.560 -6.405 7.537
82 HB3 SER 14 HB3 SER 14 -6.992 -7.481 6.254
83 HG SER 14 HG SER 14 -5.981 -8.277 7.898
84 H GLY 15 H GLY 15 -4.161 -4.016 6.769
85 HA2 GLY 15 HA2 GLY 15 -5.475 -2.407 8.771
86 HA3 GLY 15 HA3 GLY 15 -3.818 -2.237 8.202
87 HA PRO 16 HA PRO 16 -6.347 1.401 6.671
88 HB2 PRO 16 HB2 PRO 16 -4.249 3.168 6.990
89 HB3 PRO 16 HB3 PRO 16 -5.487 2.849 8.210
90 HG2 PRO 16 HG2 PRO 16 -2.731 1.719 7.971
91 HG3 PRO 16 HG3 PRO 16 -3.592 2.276 9.418
92 HD2 PRO 16 HD2 PRO 16 -3.360 -0.321 8.843
93 HD3 PRO 16 HD3 PRO 16 -4.847 0.327 9.568
94 H THR 17 H THR 17 -6.493 1.154 4.533
95 HA THR 17 HA THR 17 -4.197 0.619 2.925
96 HB THR 17 HB THR 17 -6.084 0.501 1.172
97 HG1 THR 17 HG1 THR 17 -8.063 0.799 1.910
98 HG21 THR 17 HG21 THR 17 -6.040 -1.355 3.569
99 HG22 THR 17 HG22 THR 17 -4.986 -1.474 2.157
100 HG23 THR 17 HG23 THR 17 -6.715 -1.753 1.991
101 H VAL 18 H VAL 18 -5.808 3.383 3.885
102 HA VAL 18 HA VAL 18 -5.444 4.864 1.444
103 HB VAL 18 HB VAL 18 -7.354 5.447 2.859
104 HG11 VAL 18 HG11 VAL 18 -5.363 6.231 4.976
105 HG12 VAL 18 HG12 VAL 18 -6.485 4.874 5.045
106 HG13 VAL 18 HG13 VAL 18 -7.100 6.528 5.046
107 HG21 VAL 18 HG21 VAL 18 -7.056 7.887 3.017
108 HG22 VAL 18 HG22 VAL 18 -6.420 7.242 1.502
109 HG23 VAL 18 HG23 VAL 18 -5.317 7.677 2.804
110 H CYS 19 H CYS 19 -3.727 6.061 0.872
111 HA CYS 19 HA CYS 19 -1.431 6.046 2.643
112 HB2 CYS 19 HB2 CYS 19 -1.647 6.904 -0.270
113 HB3 CYS 19 HB3 CYS 19 -0.184 6.845 0.689
114 H ALA 20 H ALA 20 -0.103 8.025 2.666
115 HA ALA 20 HA ALA 20 -1.429 10.269 3.622
116 HB1 ALA 20 HB1 ALA 20 1.319 10.060 2.386
117 HB2 ALA 20 HB2 ALA 20 0.930 9.812 4.087
118 HB3 ALA 20 HB3 ALA 20 0.737 11.409 3.355
119 H SER 21 H SER 21 -2.158 12.108 2.619
120 HA SER 21 HA SER 21 -2.896 11.939 -0.054
121 HB2 SER 21 HB2 SER 21 -2.761 14.348 1.769
122 HB3 SER 21 HB3 SER 21 -3.605 14.293 0.219
123 HG SER 21 HG SER 21 -4.254 12.227 1.930
124 H GLY 22 H GLY 22 -1.805 12.268 -1.818
125 HA2 GLY 22 HA2 GLY 22 -0.295 13.636 -3.144
126 HA3 GLY 22 HA3 GLY 22 0.704 13.814 -1.700
127 H THR 23 H THR 23 -0.146 10.781 -1.311
128 HA THR 23 HA THR 23 1.769 9.710 -3.247
129 HB THR 23 HB THR 23 2.411 7.972 -1.618
130 HG1 THR 23 HG1 THR 23 0.467 9.275 -0.057
131 HG21 THR 23 HG21 THR 23 3.737 9.371 -0.075
132 HG22 THR 23 HG22 THR 23 2.776 10.773 -0.550
133 HG23 THR 23 HG23 THR 23 3.797 9.965 -1.734
134 H THR 24 H THR 24 1.219 7.744 -4.171
135 HA THR 24 HA THR 24 -1.605 7.117 -3.784
136 HB THR 24 HB THR 24 -1.528 6.280 -6.172
137 HG1 THR 24 HG1 THR 24 1.124 7.264 -5.928
138 HG21 THR 24 HG21 THR 24 -2.490 8.452 -5.560
139 HG22 THR 24 HG22 THR 24 -1.698 8.536 -7.131
140 HG23 THR 24 HG23 THR 24 -0.901 9.199 -5.704
141 H CYS 25 H CYS 25 -2.272 5.042 -3.568
142 HA CYS 25 HA CYS 25 -0.288 3.163 -2.685
143 HB2 CYS 25 HB2 CYS 25 -2.429 3.288 -1.501
144 HB3 CYS 25 HB3 CYS 25 -3.294 2.918 -2.990
145 H GLN 26 H GLN 26 0.889 2.308 -4.287
146 HA GLN 26 HA GLN 26 -0.590 1.436 -6.623
147 HB2 GLN 26 HB2 GLN 26 2.347 2.037 -6.346
148 HB3 GLN 26 HB3 GLN 26 1.571 1.438 -7.811
149 HG2 GLN 26 HG2 GLN 26 0.155 3.432 -7.865
150 HG3 GLN 26 HG3 GLN 26 0.972 4.041 -6.429
151 HE21 GLN 26 HE21 GLN 26 1.674 5.843 -7.451
152 HE22 GLN 26 HE22 GLN 26 2.937 5.830 -8.627
153 H VAL 27 H VAL 27 -0.812 -0.591 -7.036
154 HA VAL 27 HA VAL 27 0.258 -2.535 -5.214
155 HB VAL 27 HB VAL 27 -1.438 -2.948 -7.704
156 HG11 VAL 27 HG11 VAL 27 -2.008 -5.118 -6.727
157 HG12 VAL 27 HG12 VAL 27 -0.925 -4.798 -5.375
158 HG13 VAL 27 HG13 VAL 27 -0.274 -4.984 -7.002
159 HG21 VAL 27 HG21 VAL 27 -3.343 -3.128 -6.158
160 HG22 VAL 27 HG22 VAL 27 -2.588 -1.533 -6.100
161 HG23 VAL 27 HG23 VAL 27 -2.282 -2.697 -4.817
162 H LEU 28 H LEU 28 2.373 -2.682 -5.512
163 HA LEU 28 HA LEU 28 3.620 -2.762 -8.093
164 HB2 LEU 28 HB2 LEU 28 4.741 -3.474 -5.375
165 HB3 LEU 28 HB3 LEU 28 5.695 -3.210 -6.808
166 HG LEU 28 HG LEU 28 4.114 -1.150 -5.274
167 HD11 LEU 28 HD11 LEU 28 6.308 -0.167 -4.841
168 HD12 LEU 28 HD12 LEU 28 7.067 -1.526 -5.672
169 HD13 LEU 28 HD13 LEU 28 6.160 -1.797 -4.184
170 HD21 LEU 28 HD21 LEU 28 4.005 -0.638 -7.661
171 HD22 LEU 28 HD22 LEU 28 5.754 -0.813 -7.793
172 HD23 LEU 28 HD23 LEU 28 5.070 0.502 -6.837
173 H ASN 29 H ASN 29 3.711 -5.032 -5.443
174 HA ASN 29 HA ASN 29 3.673 -7.271 -7.316
175 HB2 ASN 29 HB2 ASN 29 4.296 -7.177 -4.340
176 HB3 ASN 29 HB3 ASN 29 4.305 -8.630 -5.327
177 HD21 ASN 29 HD21 ASN 29 6.030 -5.749 -4.474
178 HD22 ASN 29 HD22 ASN 29 7.461 -6.115 -5.349
179 HA PRO 30 HA PRO 30 -0.543 -8.143 -6.307
180 HB2 PRO 30 HB2 PRO 30 0.116 -10.896 -5.398
181 HB3 PRO 30 HB3 PRO 30 -1.003 -10.370 -6.660
182 HG2 PRO 30 HG2 PRO 30 1.326 -11.473 -7.311
183 HG3 PRO 30 HG3 PRO 30 0.685 -10.097 -8.230
184 HD2 PRO 30 HD2 PRO 30 2.804 -10.137 -6.116
185 HD3 PRO 30 HD3 PRO 30 2.793 -9.258 -7.656
186 H TYR 31 H TYR 31 1.792 -9.239 -3.911
187 HA TYR 31 HA TYR 31 -0.236 -8.900 -1.814
188 HB2 TYR 31 HB2 TYR 31 2.534 -10.115 -1.584
189 HB3 TYR 31 HB3 TYR 31 1.327 -10.036 -0.321
190 HD1 TYR 31 HD1 TYR 31 -0.190 -11.768 -0.031
191 HD2 TYR 31 HD2 TYR 31 1.959 -11.488 -3.681
192 HE1 TYR 31 HE1 TYR 31 -1.023 -13.980 -0.686
193 HE2 TYR 31 HE2 TYR 31 1.123 -13.692 -4.349
194 HH TYR 31 HH TYR 31 0.306 -15.710 -3.258
195 H TYR 32 H TYR 32 2.692 -7.468 -3.072
196 HA TYR 32 HA TYR 32 2.729 -5.692 -0.748
197 HB2 TYR 32 HB2 TYR 32 4.875 -6.859 -1.238
198 HB3 TYR 32 HB3 TYR 32 4.942 -6.020 -2.782
199 HD1 TYR 32 HD1 TYR 32 5.902 -3.839 -2.918
200 HD2 TYR 32 HD2 TYR 32 4.812 -5.459 0.868
201 HE1 TYR 32 HE1 TYR 32 7.019 -1.954 -1.781
202 HE2 TYR 32 HE2 TYR 32 5.918 -3.590 1.997
203 HH TYR 32 HH TYR 32 7.098 -0.806 0.300
204 H SER 33 H SER 33 1.649 -3.905 -1.024
205 HA SER 33 HA SER 33 1.897 -2.481 -3.577
206 HB2 SER 33 HB2 SER 33 -0.323 -2.273 -1.519
207 HB3 SER 33 HB3 SER 33 -0.274 -1.483 -3.097
208 HG SER 33 HG SER 33 -1.533 -3.495 -2.881
209 H GLN 34 H GLN 34 2.386 -0.230 -3.346
210 HA GLN 34 HA GLN 34 3.192 0.533 -0.648
211 HB2 GLN 34 HB2 GLN 34 5.138 -0.481 -1.632
212 HB3 GLN 34 HB3 GLN 34 4.967 0.493 -3.077
213 HG2 GLN 34 HG2 GLN 34 5.539 2.477 -1.862
214 HG3 GLN 34 HG3 GLN 34 5.551 1.581 -0.342
215 HE21 GLN 34 HE21 GLN 34 7.185 2.073 -3.357
216 HE22 GLN 34 HE22 GLN 34 8.691 1.394 -2.882
217 H CYS 35 H CYS 35 3.055 2.653 -0.208
218 HA CYS 35 HA CYS 35 1.591 4.348 -1.985
219 HB2 CYS 35 HB2 CYS 35 3.016 5.066 0.578
220 HB3 CYS 35 HB3 CYS 35 1.777 6.024 -0.230
221 H LEU 36 H LEU 36 2.441 5.347 -3.612
222 HA LEU 36 HA LEU 36 5.126 6.498 -3.441
223 HB2 LEU 36 HB2 LEU 36 3.756 5.230 -5.822
224 HB3 LEU 36 HB3 LEU 36 5.255 6.119 -5.900
225 HG LEU 36 HG LEU 36 4.883 3.555 -4.353
226 HD11 LEU 36 HD11 LEU 36 6.162 4.054 -7.039
227 HD12 LEU 36 HD12 LEU 36 4.660 3.181 -6.749
228 HD13 LEU 36 HD13 LEU 36 6.187 2.530 -6.151
229 HD21 LEU 36 HD21 LEU 36 7.371 3.599 -4.328
230 HD22 LEU 36 HD22 LEU 36 6.640 4.917 -3.424
231 HD23 LEU 36 HD23 LEU 36 7.309 5.217 -5.028
232 H1 MAN 101 H1 MAN 101 5.505 8.362 7.239
233 H2 MAN 101 H2 MAN 101 7.019 9.683 5.635
234 H3 MAN 101 H3 MAN 101 7.773 7.911 4.140
235 H4 MAN 101 H4 MAN 101 9.114 6.711 6.596
236 H5 MAN 101 H5 MAN 101 6.668 5.790 5.000
237 H61 MAN 101 H61 MAN 101 8.110 4.538 7.362
238 H62 MAN 101 H62 MAN 101 7.937 3.830 5.740
239 HO2 MAN 101 HO2 MAN 101 8.823 9.471 6.994
240 HO3 MAN 101 HO3 MAN 101 10.086 8.167 4.529
241 HO4 MAN 101 HO4 MAN 101 8.759 5.810 3.906
242 HO6 MAN 101 HO6 MAN 101 5.656 4.615 7.256
Start of MODEL 4
1 H1 THR 1 H1 THR 1 -1.434 7.782 9.101
2 H2 THR 1 H2 THR 1 -2.099 6.278 9.494
3 H3 THR 1 H3 THR 1 -3.095 7.646 9.346
4 HA THR 1 HA THR 1 -3.274 6.205 7.428
5 HB THR 1 HB THR 1 -1.829 8.803 6.796
6 HG1 THR 1 HG1 THR 1 -4.596 8.546 7.378
7 HG21 THR 1 HG21 THR 1 -2.506 7.430 4.864
8 HG22 THR 1 HG22 THR 1 -3.446 8.921 4.951
9 HG23 THR 1 HG23 THR 1 -4.160 7.396 5.476
10 H GLN 2 H GLN 2 -2.114 5.161 5.606
11 HA GLN 2 HA GLN 2 0.560 4.500 6.338
12 HB2 GLN 2 HB2 GLN 2 -0.976 2.848 5.226
13 HB3 GLN 2 HB3 GLN 2 -0.908 3.820 3.763
14 HG2 GLN 2 HG2 GLN 2 0.609 1.916 3.630
15 HG3 GLN 2 HG3 GLN 2 1.508 3.431 3.607
16 HE21 GLN 2 HE21 GLN 2 0.871 0.540 5.321
17 HE22 GLN 2 HE22 GLN 2 2.052 0.743 6.554
18 H SER 3 H SER 3 2.442 5.109 5.256
19 HA SER 3 HA SER 3 2.075 7.556 3.681
20 HB2 SER 3 HB2 SER 3 4.247 7.014 5.700
21 HB3 SER 3 HB3 SER 3 3.898 8.550 4.886
22 H HIS 4 H HIS 4 4.389 8.155 2.778
23 HA HIS 4 HA HIS 4 4.854 6.546 0.613
24 HB2 HIS 4 HB2 HIS 4 5.574 8.901 0.848
25 HB3 HIS 4 HB3 HIS 4 6.851 8.382 1.935
26 HD1 HIS 4 HD1 HIS 4 9.027 7.761 0.874
27 HD2 HIS 4 HD2 HIS 4 5.915 7.952 -1.857
28 HE1 HIS 4 HE1 HIS 4 10.093 7.452 -1.384
29 HE2 HIS 4 HE2 HIS 4 8.211 7.874 -3.005
30 H ALA 5 H ALA 5 5.984 4.825 0.140
31 HA ALA 5 HA ALA 5 7.360 3.096 0.152
32 HB1 ALA 5 HB1 ALA 5 8.753 4.246 2.578
33 HB2 ALA 5 HB2 ALA 5 9.175 4.612 0.908
34 HB3 ALA 5 HB3 ALA 5 9.361 2.966 1.523
35 H GLY 6 H GLY 6 5.104 3.702 2.359
36 HA2 GLY 6 HA2 GLY 6 5.482 1.294 3.915
37 HA3 GLY 6 HA3 GLY 6 4.186 2.474 4.091
38 H GLN 7 H GLN 7 3.982 -0.385 3.928
39 HA GLN 7 HA GLN 7 2.924 -1.031 1.343
40 HB2 GLN 7 HB2 GLN 7 3.862 -2.785 2.787
41 HB3 GLN 7 HB3 GLN 7 2.604 -2.490 3.973
42 HG2 GLN 7 HG2 GLN 7 0.914 -3.237 2.480
43 HG3 GLN 7 HG3 GLN 7 2.030 -3.427 1.144
44 HE21 GLN 7 HE21 GLN 7 0.330 -5.431 2.217
45 HE22 GLN 7 HE22 GLN 7 1.322 -6.673 2.872
46 H CYS 8 H CYS 8 1.104 -0.275 0.629
47 HA CYS 8 HA CYS 8 -0.847 0.802 2.480
48 HB2 CYS 8 HB2 CYS 8 -1.984 1.569 0.397
49 HB3 CYS 8 HB3 CYS 8 -0.357 2.197 0.635
50 H GLY 9 H GLY 9 -0.860 -1.748 -0.011
51 HA2 GLY 9 HA2 GLY 9 -2.877 -3.129 1.399
52 HA3 GLY 9 HA3 GLY 9 -3.606 -2.098 0.177
53 H GLY 10 H GLY 10 -1.855 -4.903 0.813
54 HA2 GLY 10 HA2 GLY 10 -2.074 -5.616 -2.018
55 HA3 GLY 10 HA3 GLY 10 -0.868 -6.311 -0.923
56 H ILE 11 H ILE 11 -2.317 -8.181 -2.040
57 HA ILE 11 HA ILE 11 -4.795 -8.753 -0.860
58 HB ILE 11 HB ILE 11 -2.727 -10.733 -1.879
59 HG12 ILE 11 HG12 ILE 11 -5.070 -9.480 -3.338
60 HG13 ILE 11 HG13 ILE 11 -3.387 -9.013 -3.553
61 HG21 ILE 11 HG21 ILE 11 -4.637 -12.255 -2.197
62 HG22 ILE 11 HG22 ILE 11 -5.707 -11.057 -1.475
63 HG23 ILE 11 HG23 ILE 11 -4.438 -11.806 -0.501
64 HD11 ILE 11 HD11 ILE 11 -4.565 -11.713 -4.179
65 HD12 ILE 11 HD12 ILE 11 -2.879 -11.247 -4.408
66 HD13 ILE 11 HD13 ILE 11 -4.148 -10.464 -5.351
67 H GLY 12 H GLY 12 -5.146 -8.927 1.247
68 HA2 GLY 12 HA2 GLY 12 -5.110 -10.194 3.216
69 HA3 GLY 12 HA3 GLY 12 -3.497 -10.755 2.812
70 H TYR 13 H TYR 13 -4.384 -7.381 2.666
71 HA TYR 13 HA TYR 13 -2.758 -6.942 5.079
72 HB2 TYR 13 HB2 TYR 13 -1.727 -6.045 2.995
73 HB3 TYR 13 HB3 TYR 13 -3.150 -5.049 2.739
74 HD1 TYR 13 HD1 TYR 13 -3.284 -2.914 3.725
75 HD2 TYR 13 HD2 TYR 13 -0.349 -5.653 5.081
76 HE1 TYR 13 HE1 TYR 13 -2.255 -1.133 5.065
77 HE2 TYR 13 HE2 TYR 13 0.691 -3.887 6.431
78 HH TYR 13 HH TYR 13 -0.874 -0.874 6.960
79 H SER 14 H SER 14 -4.005 -6.439 6.779
80 HA SER 14 HA SER 14 -6.659 -5.333 6.320
81 HB2 SER 14 HB2 SER 14 -6.958 -5.980 8.741
82 HB3 SER 14 HB3 SER 14 -6.650 -7.314 7.629
83 HG SER 14 HG SER 14 -5.318 -7.662 9.297
84 H GLY 15 H GLY 15 -3.665 -4.150 7.002
85 HA2 GLY 15 HA2 GLY 15 -4.300 -2.232 9.050
86 HA3 GLY 15 HA3 GLY 15 -2.838 -2.277 8.075
87 HA PRO 16 HA PRO 16 -5.259 1.536 6.791
88 HB2 PRO 16 HB2 PRO 16 -2.958 3.004 6.405
89 HB3 PRO 16 HB3 PRO 16 -3.871 2.989 7.917
90 HG2 PRO 16 HG2 PRO 16 -1.416 1.454 7.171
91 HG3 PRO 16 HG3 PRO 16 -1.813 2.235 8.708
92 HD2 PRO 16 HD2 PRO 16 -2.034 -0.397 8.387
93 HD3 PRO 16 HD3 PRO 16 -3.198 0.502 9.377
94 H THR 17 H THR 17 -5.909 1.168 4.766
95 HA THR 17 HA THR 17 -3.993 0.253 2.823
96 HB THR 17 HB THR 17 -6.112 -0.081 1.436
97 HG1 THR 17 HG1 THR 17 -7.830 0.655 2.307
98 HG21 THR 17 HG21 THR 17 -6.640 -2.192 2.607
99 HG22 THR 17 HG22 THR 17 -5.742 -1.618 4.017
100 HG23 THR 17 HG23 THR 17 -4.901 -1.918 2.498
101 H VAL 18 H VAL 18 -5.479 3.106 3.738
102 HA VAL 18 HA VAL 18 -5.190 4.243 1.079
103 HB VAL 18 HB VAL 18 -7.276 4.738 2.400
104 HG11 VAL 18 HG11 VAL 18 -5.473 6.388 4.138
105 HG12 VAL 18 HG12 VAL 18 -6.331 4.933 4.623
106 HG13 VAL 18 HG13 VAL 18 -7.237 6.390 4.195
107 HG21 VAL 18 HG21 VAL 18 -7.358 7.152 1.873
108 HG22 VAL 18 HG22 VAL 18 -6.668 6.190 0.567
109 HG23 VAL 18 HG23 VAL 18 -5.611 7.131 1.619
110 H CYS 19 H CYS 19 -3.724 5.756 0.594
111 HA CYS 19 HA CYS 19 -1.463 5.971 2.389
112 HB2 CYS 19 HB2 CYS 19 -1.785 6.813 -0.507
113 HB3 CYS 19 HB3 CYS 19 -0.299 6.860 0.429
114 H ALA 20 H ALA 20 -0.526 7.963 2.846
115 HA ALA 20 HA ALA 20 -2.181 10.088 3.536
116 HB1 ALA 20 HB1 ALA 20 -0.100 11.363 3.849
117 HB2 ALA 20 HB2 ALA 20 0.789 10.117 2.972
118 HB3 ALA 20 HB3 ALA 20 0.024 9.736 4.519
119 H SER 21 H SER 21 -2.775 11.930 2.500
120 HA SER 21 HA SER 21 -3.169 11.871 -0.187
121 HB2 SER 21 HB2 SER 21 -3.616 14.389 0.153
122 HB3 SER 21 HB3 SER 21 -4.583 13.240 1.074
123 HG SER 21 HG SER 21 -3.913 14.260 2.738
124 H GLY 22 H GLY 22 -2.023 12.272 -1.921
125 HA2 GLY 22 HA2 GLY 22 -0.425 13.641 -3.103
126 HA3 GLY 22 HA3 GLY 22 0.527 13.707 -1.624
127 H THR 23 H THR 23 -0.178 10.758 -1.199
128 HA THR 23 HA THR 23 1.723 9.730 -3.170
129 HB THR 23 HB THR 23 2.279 7.919 -1.543
130 HG1 THR 23 HG1 THR 23 0.387 9.303 0.060
131 HG21 THR 23 HG21 THR 23 3.685 9.909 -1.604
132 HG22 THR 23 HG22 THR 23 3.570 9.283 0.042
133 HG23 THR 23 HG23 THR 23 2.639 10.703 -0.429
134 H THR 24 H THR 24 1.305 7.669 -4.072
135 HA THR 24 HA THR 24 -1.550 7.047 -4.006
136 HB THR 24 HB THR 24 -1.115 6.083 -6.325
137 HG1 THR 24 HG1 THR 24 1.425 6.964 -5.703
138 HG21 THR 24 HG21 THR 24 -1.220 8.276 -7.433
139 HG22 THR 24 HG22 THR 24 -0.700 9.055 -5.938
140 HG23 THR 24 HG23 THR 24 -2.259 8.231 -6.006
141 H CYS 25 H CYS 25 -2.180 4.934 -3.814
142 HA CYS 25 HA CYS 25 -0.238 3.117 -2.733
143 HB2 CYS 25 HB2 CYS 25 -2.510 3.144 -1.791
144 HB3 CYS 25 HB3 CYS 25 -3.178 2.720 -3.367
145 H GLN 26 H GLN 26 1.152 2.427 -4.224
146 HA GLN 26 HA GLN 26 0.065 1.639 -6.780
147 HB2 GLN 26 HB2 GLN 26 2.918 2.030 -5.910
148 HB3 GLN 26 HB3 GLN 26 2.418 1.526 -7.518
149 HG2 GLN 26 HG2 GLN 26 1.129 3.633 -7.721
150 HG3 GLN 26 HG3 GLN 26 1.801 4.138 -6.174
151 HE21 GLN 26 HE21 GLN 26 2.793 5.888 -7.086
152 HE22 GLN 26 HE22 GLN 26 4.210 5.756 -8.065
153 H VAL 27 H VAL 27 -0.401 -0.301 -7.128
154 HA VAL 27 HA VAL 27 0.395 -2.444 -5.406
155 HB VAL 27 HB VAL 27 -0.980 -2.595 -8.113
156 HG11 VAL 27 HG11 VAL 27 -0.058 -4.731 -7.399
157 HG12 VAL 27 HG12 VAL 27 -1.817 -4.771 -7.331
158 HG13 VAL 27 HG13 VAL 27 -0.885 -4.590 -5.848
159 HG21 VAL 27 HG21 VAL 27 -2.261 -1.175 -6.595
160 HG22 VAL 27 HG22 VAL 27 -2.226 -2.435 -5.363
161 HG23 VAL 27 HG23 VAL 27 -3.102 -2.701 -6.870
162 H LEU 28 H LEU 28 2.477 -2.907 -5.498
163 HA LEU 28 HA LEU 28 3.912 -2.822 -8.004
164 HB2 LEU 28 HB2 LEU 28 4.914 -3.675 -5.262
165 HB3 LEU 28 HB3 LEU 28 5.906 -3.319 -6.648
166 HG LEU 28 HG LEU 28 4.320 -1.373 -4.990
167 HD11 LEU 28 HD11 LEU 28 7.276 -1.721 -5.400
168 HD12 LEU 28 HD12 LEU 28 6.355 -2.120 -3.951
169 HD13 LEU 28 HD13 LEU 28 6.513 -0.440 -4.461
170 HD21 LEU 28 HD21 LEU 28 5.255 0.402 -6.392
171 HD22 LEU 28 HD22 LEU 28 4.241 -0.685 -7.344
172 HD23 LEU 28 HD23 LEU 28 6.000 -0.805 -7.438
173 H ASN 29 H ASN 29 3.848 -5.183 -5.416
174 HA ASN 29 HA ASN 29 3.822 -7.327 -7.376
175 HB2 ASN 29 HB2 ASN 29 4.340 -7.391 -4.379
176 HB3 ASN 29 HB3 ASN 29 4.462 -8.749 -5.489
177 HD21 ASN 29 HD21 ASN 29 6.468 -7.533 -3.732
178 HD22 ASN 29 HD22 ASN 29 7.784 -7.110 -4.763
179 HA PRO 30 HA PRO 30 -0.438 -8.311 -6.508
180 HB2 PRO 30 HB2 PRO 30 0.285 -10.998 -5.446
181 HB3 PRO 30 HB3 PRO 30 -0.839 -10.572 -6.741
182 HG2 PRO 30 HG2 PRO 30 1.526 -11.611 -7.332
183 HG3 PRO 30 HG3 PRO 30 0.871 -10.283 -8.304
184 HD2 PRO 30 HD2 PRO 30 2.971 -10.221 -6.180
185 HD3 PRO 30 HD3 PRO 30 2.925 -9.372 -7.741
186 H TYR 31 H TYR 31 1.737 -9.370 -3.904
187 HA TYR 31 HA TYR 31 -0.434 -8.872 -1.996
188 HB2 TYR 31 HB2 TYR 31 2.217 -10.245 -1.496
189 HB3 TYR 31 HB3 TYR 31 0.888 -10.102 -0.361
190 HD1 TYR 31 HD1 TYR 31 2.102 -11.811 -3.366
191 HD2 TYR 31 HD2 TYR 31 -1.091 -11.486 -0.586
192 HE1 TYR 31 HE1 TYR 31 1.179 -13.899 -4.211
193 HE2 TYR 31 HE2 TYR 31 -2.042 -13.583 -1.426
194 HH TYR 31 HH TYR 31 -1.979 -14.992 -3.320
195 H TYR 32 H TYR 32 2.604 -7.655 -3.073
196 HA TYR 32 HA TYR 32 2.644 -5.856 -0.772
197 HB2 TYR 32 HB2 TYR 32 4.734 -7.111 -1.128
198 HB3 TYR 32 HB3 TYR 32 4.890 -6.384 -2.723
199 HD1 TYR 32 HD1 TYR 32 4.517 -5.433 0.847
200 HD2 TYR 32 HD2 TYR 32 6.149 -4.417 -2.955
201 HE1 TYR 32 HE1 TYR 32 5.698 -3.541 1.864
202 HE2 TYR 32 HE2 TYR 32 7.337 -2.524 -1.934
203 HH TYR 32 HH TYR 32 7.584 -2.181 1.467
204 H SER 33 H SER 33 1.708 -4.009 -1.064
205 HA SER 33 HA SER 33 2.091 -2.573 -3.592
206 HB2 SER 33 HB2 SER 33 -0.240 -2.419 -1.669
207 HB3 SER 33 HB3 SER 33 -0.116 -1.533 -3.185
208 HG SER 33 HG SER 33 -1.314 -3.686 -2.991
209 H GLN 34 H GLN 34 2.527 -0.274 -3.290
210 HA GLN 34 HA GLN 34 3.313 0.393 -0.544
211 HB2 GLN 34 HB2 GLN 34 5.239 -0.582 -1.726
212 HB3 GLN 34 HB3 GLN 34 5.067 0.625 -2.985
213 HG2 GLN 34 HG2 GLN 34 5.563 2.376 -1.364
214 HG3 GLN 34 HG3 GLN 34 5.745 1.156 -0.108
215 HE21 GLN 34 HE21 GLN 34 7.551 -0.193 -0.152
216 HE22 GLN 34 HE22 GLN 34 8.930 0.206 -1.104
217 H CYS 35 H CYS 35 3.125 2.529 -0.030
218 HA CYS 35 HA CYS 35 1.688 4.263 -1.811
219 HB2 CYS 35 HB2 CYS 35 2.933 4.835 0.884
220 HB3 CYS 35 HB3 CYS 35 1.865 5.923 0.008
221 H LEU 36 H LEU 36 2.620 5.290 -3.375
222 HA LEU 36 HA LEU 36 5.245 6.467 -2.970
223 HB2 LEU 36 HB2 LEU 36 4.258 4.987 -5.404
224 HB3 LEU 36 HB3 LEU 36 5.713 5.963 -5.371
225 HG LEU 36 HG LEU 36 5.277 3.531 -3.638
226 HD11 LEU 36 HD11 LEU 36 6.862 3.834 -6.183
227 HD12 LEU 36 HD12 LEU 36 5.371 2.913 -6.002
228 HD13 LEU 36 HD13 LEU 36 6.832 2.404 -5.153
229 HD21 LEU 36 HD21 LEU 36 6.832 5.146 -2.690
230 HD22 LEU 36 HD22 LEU 36 7.720 5.211 -4.209
231 HD23 LEU 36 HD23 LEU 36 7.693 3.721 -3.268
232 H1 MAN 101 H1 MAN 101 3.885 8.215 7.773
233 H2 MAN 101 H2 MAN 101 1.643 7.619 8.648
234 H3 MAN 101 H3 MAN 101 0.301 8.868 7.049
235 H4 MAN 101 H4 MAN 101 1.423 11.325 8.456
236 H5 MAN 101 H5 MAN 101 1.722 10.278 5.602
237 H61 MAN 101 H61 MAN 101 1.750 12.763 5.786
238 H62 MAN 101 H62 MAN 101 3.295 12.087 5.222
239 HO2 MAN 101 HO2 MAN 101 3.174 8.839 9.866
240 HO3 MAN 101 HO3 MAN 101 0.075 9.864 9.712
241 HO4 MAN 101 HO4 MAN 101 -0.771 11.385 7.804
242 HO6 MAN 101 HO6 MAN 101 3.440 13.735 6.941
Start of MODEL 5
1 H1 THR 1 H1 THR 1 -3.815 6.720 9.210
2 H2 THR 1 H2 THR 1 -2.146 7.005 9.247
3 H3 THR 1 H3 THR 1 -2.699 5.439 9.099
4 HA THR 1 HA THR 1 -3.625 5.988 6.932
5 HB THR 1 HB THR 1 -2.281 8.673 7.425
6 HG1 THR 1 HG1 THR 1 -4.413 9.461 7.568
7 HG21 THR 1 HG21 THR 1 -3.410 9.340 5.350
8 HG22 THR 1 HG22 THR 1 -4.079 7.722 5.181
9 HG23 THR 1 HG23 THR 1 -2.335 7.972 5.058
10 H GLN 2 H GLN 2 -2.260 5.199 5.288
11 HA GLN 2 HA GLN 2 0.363 4.513 6.214
12 HB2 GLN 2 HB2 GLN 2 -1.181 2.959 4.926
13 HB3 GLN 2 HB3 GLN 2 -0.864 3.950 3.508
14 HG2 GLN 2 HG2 GLN 2 0.522 1.933 3.554
15 HG3 GLN 2 HG3 GLN 2 1.497 3.402 3.614
16 HE21 GLN 2 HE21 GLN 2 0.390 0.662 5.361
17 HE22 GLN 2 HE22 GLN 2 1.440 0.818 6.722
18 H SER 3 H SER 3 2.297 5.030 5.100
19 HA SER 3 HA SER 3 2.117 7.550 3.603
20 HB2 SER 3 HB2 SER 3 4.244 6.787 5.599
21 HB3 SER 3 HB3 SER 3 4.036 8.354 4.807
22 H HIS 4 H HIS 4 4.468 7.957 2.663
23 HA HIS 4 HA HIS 4 4.974 6.108 0.638
24 HB2 HIS 4 HB2 HIS 4 5.683 8.517 0.629
25 HB3 HIS 4 HB3 HIS 4 6.916 8.124 1.809
26 HD1 HIS 4 HD1 HIS 4 9.151 7.747 0.819
27 HD2 HIS 4 HD2 HIS 4 6.120 6.948 -1.896
28 HE1 HIS 4 HE1 HIS 4 10.310 7.139 -1.306
29 HE2 HIS 4 HE2 HIS 4 8.469 7.068 -2.978
30 H ALA 5 H ALA 5 6.499 4.485 0.334
31 HA ALA 5 HA ALA 5 7.856 2.786 0.765
32 HB1 ALA 5 HB1 ALA 5 9.468 4.444 1.672
33 HB2 ALA 5 HB2 ALA 5 9.569 2.892 2.506
34 HB3 ALA 5 HB3 ALA 5 8.735 4.246 3.266
35 H GLY 6 H GLY 6 5.158 3.335 2.185
36 HA2 GLY 6 HA2 GLY 6 5.327 1.076 4.027
37 HA3 GLY 6 HA3 GLY 6 4.109 2.350 4.076
38 H GLN 7 H GLN 7 3.886 -0.563 3.874
39 HA GLN 7 HA GLN 7 2.847 -1.067 1.255
40 HB2 GLN 7 HB2 GLN 7 3.874 -2.883 2.530
41 HB3 GLN 7 HB3 GLN 7 2.683 -2.674 3.806
42 HG2 GLN 7 HG2 GLN 7 0.923 -3.407 2.360
43 HG3 GLN 7 HG3 GLN 7 2.003 -3.505 0.978
44 HE21 GLN 7 HE21 GLN 7 0.388 -5.594 2.170
45 HE22 GLN 7 HE22 GLN 7 1.464 -6.832 2.637
46 H CYS 8 H CYS 8 1.008 -0.338 0.649
47 HA CYS 8 HA CYS 8 -0.890 0.674 2.581
48 HB2 CYS 8 HB2 CYS 8 -2.030 1.501 0.503
49 HB3 CYS 8 HB3 CYS 8 -0.410 2.130 0.810
50 H GLY 9 H GLY 9 -0.902 -1.784 -0.006
51 HA2 GLY 9 HA2 GLY 9 -3.027 -3.158 1.314
52 HA3 GLY 9 HA3 GLY 9 -3.603 -2.162 -0.016
53 H GLY 10 H GLY 10 -1.757 -4.907 0.875
54 HA2 GLY 10 HA2 GLY 10 -1.829 -5.798 -1.914
55 HA3 GLY 10 HA3 GLY 10 -0.636 -6.337 -0.723
56 H ILE 11 H ILE 11 -1.901 -8.354 -1.817
57 HA ILE 11 HA ILE 11 -4.381 -9.077 -0.764
58 HB ILE 11 HB ILE 11 -2.105 -10.881 -1.638
59 HG12 ILE 11 HG12 ILE 11 -4.596 -9.993 -3.108
60 HG13 ILE 11 HG13 ILE 11 -2.993 -9.306 -3.351
61 HG21 ILE 11 HG21 ILE 11 -3.667 -12.116 -0.208
62 HG22 ILE 11 HG22 ILE 11 -3.808 -12.642 -1.885
63 HG23 ILE 11 HG23 ILE 11 -5.021 -11.562 -1.194
64 HD11 ILE 11 HD11 ILE 11 -3.800 -12.155 -3.879
65 HD12 ILE 11 HD12 ILE 11 -2.195 -11.466 -4.147
66 HD13 ILE 11 HD13 ILE 11 -3.572 -10.893 -5.089
67 H GLY 12 H GLY 12 -4.929 -9.221 1.243
68 HA2 GLY 12 HA2 GLY 12 -5.050 -10.390 3.256
69 HA3 GLY 12 HA3 GLY 12 -3.375 -10.878 3.056
70 H TYR 13 H TYR 13 -3.894 -7.584 2.437
71 HA TYR 13 HA TYR 13 -2.679 -6.978 5.016
72 HB2 TYR 13 HB2 TYR 13 -1.598 -6.130 2.904
73 HB3 TYR 13 HB3 TYR 13 -3.017 -5.122 2.645
74 HD1 TYR 13 HD1 TYR 13 -0.171 -5.737 4.918
75 HD2 TYR 13 HD2 TYR 13 -3.242 -3.034 3.772
76 HE1 TYR 13 HE1 TYR 13 0.838 -4.005 6.321
77 HE2 TYR 13 HE2 TYR 13 -2.231 -1.291 5.178
78 HH TYR 13 HH TYR 13 0.851 -1.506 6.380
79 H SER 14 H SER 14 -4.042 -6.459 6.621
80 HA SER 14 HA SER 14 -6.599 -5.201 5.970
81 HB2 SER 14 HB2 SER 14 -7.118 -6.062 8.310
82 HB3 SER 14 HB3 SER 14 -6.870 -7.268 7.037
83 HG SER 14 HG SER 14 -5.469 -8.036 8.323
84 H GLY 15 H GLY 15 -3.929 -3.900 6.384
85 HA2 GLY 15 HA2 GLY 15 -4.397 -2.345 8.828
86 HA3 GLY 15 HA3 GLY 15 -2.936 -2.314 7.839
87 HA PRO 16 HA PRO 16 -5.268 1.496 6.752
88 HB2 PRO 16 HB2 PRO 16 -3.066 3.088 6.497
89 HB3 PRO 16 HB3 PRO 16 -3.882 2.823 8.040
90 HG2 PRO 16 HG2 PRO 16 -1.391 1.566 6.976
91 HG3 PRO 16 HG3 PRO 16 -1.763 2.086 8.625
92 HD2 PRO 16 HD2 PRO 16 -1.864 -0.505 7.808
93 HD3 PRO 16 HD3 PRO 16 -2.855 0.141 9.126
94 H THR 17 H THR 17 -5.928 1.083 4.760
95 HA THR 17 HA THR 17 -4.071 0.434 2.668
96 HB THR 17 HB THR 17 -6.279 0.245 1.335
97 HG1 THR 17 HG1 THR 17 -8.121 0.295 2.464
98 HG21 THR 17 HG21 THR 17 -5.017 -1.705 2.143
99 HG22 THR 17 HG22 THR 17 -6.751 -1.974 2.309
100 HG23 THR 17 HG23 THR 17 -5.785 -1.550 3.724
101 H VAL 18 H VAL 18 -5.655 3.195 3.836
102 HA VAL 18 HA VAL 18 -5.479 4.581 1.303
103 HB VAL 18 HB VAL 18 -7.436 5.038 2.744
104 HG11 VAL 18 HG11 VAL 18 -6.460 4.804 4.943
105 HG12 VAL 18 HG12 VAL 18 -7.241 6.378 4.794
106 HG13 VAL 18 HG13 VAL 18 -5.486 6.249 4.682
107 HG21 VAL 18 HG21 VAL 18 -7.397 7.505 2.642
108 HG22 VAL 18 HG22 VAL 18 -6.769 6.758 1.169
109 HG23 VAL 18 HG23 VAL 18 -5.658 7.446 2.353
110 H CYS 19 H CYS 19 -3.898 5.859 0.694
111 HA CYS 19 HA CYS 19 -1.582 6.124 2.428
112 HB2 CYS 19 HB2 CYS 19 -1.952 6.728 -0.501
113 HB3 CYS 19 HB3 CYS 19 -0.431 6.832 0.378
114 H ALA 20 H ALA 20 -0.617 8.035 2.897
115 HA ALA 20 HA ALA 20 -2.165 10.284 3.403
116 HB1 ALA 20 HB1 ALA 20 -0.052 11.398 3.940
117 HB2 ALA 20 HB2 ALA 20 0.836 10.099 3.144
118 HB3 ALA 20 HB3 ALA 20 -0.095 9.765 4.607
119 H SER 21 H SER 21 -2.251 12.288 2.447
120 HA SER 21 HA SER 21 -2.569 12.397 -0.285
121 HB2 SER 21 HB2 SER 21 -3.519 13.961 1.482
122 HB3 SER 21 HB3 SER 21 -1.947 14.759 1.489
123 HG SER 21 HG SER 21 -3.867 14.579 -0.510
124 H GLY 22 H GLY 22 -1.219 12.647 -1.941
125 HA2 GLY 22 HA2 GLY 22 0.730 13.699 -2.916
126 HA3 GLY 22 HA3 GLY 22 1.544 13.474 -1.370
127 H THR 23 H THR 23 0.112 10.766 -1.242
128 HA THR 23 HA THR 23 1.742 9.371 -3.224
129 HB THR 23 HB THR 23 2.075 7.528 -1.573
130 HG1 THR 23 HG1 THR 23 0.647 9.287 0.083
131 HG21 THR 23 HG21 THR 23 3.875 9.125 -1.937
132 HG22 THR 23 HG22 THR 23 3.827 8.618 -0.247
133 HG23 THR 23 HG23 THR 23 3.184 10.193 -0.714
134 H THR 24 H THR 24 0.854 7.508 -4.083
135 HA THR 24 HA THR 24 -1.947 7.010 -3.394
136 HB THR 24 HB THR 24 -2.094 6.250 -5.841
137 HG1 THR 24 HG1 THR 24 0.516 7.137 -5.772
138 HG21 THR 24 HG21 THR 24 -2.484 8.535 -6.678
139 HG22 THR 24 HG22 THR 24 -1.642 9.191 -5.273
140 HG23 THR 24 HG23 THR 24 -3.160 8.313 -5.065
141 H CYS 25 H CYS 25 -2.524 4.823 -3.212
142 HA CYS 25 HA CYS 25 -0.420 3.004 -2.703
143 HB2 CYS 25 HB2 CYS 25 -2.624 2.877 -1.577
144 HB3 CYS 25 HB3 CYS 25 -3.369 2.448 -3.119
145 H GLN 26 H GLN 26 0.829 2.380 -4.329
146 HA GLN 26 HA GLN 26 -0.489 1.603 -6.813
147 HB2 GLN 26 HB2 GLN 26 2.425 2.291 -6.360
148 HB3 GLN 26 HB3 GLN 26 1.697 1.884 -7.906
149 HG2 GLN 26 HG2 GLN 26 0.233 3.895 -7.665
150 HG3 GLN 26 HG3 GLN 26 1.148 4.319 -6.224
151 HE21 GLN 26 HE21 GLN 26 1.931 6.226 -7.058
152 HE22 GLN 26 HE22 GLN 26 3.068 6.306 -8.343
153 H VAL 27 H VAL 27 -0.704 -0.429 -7.117
154 HA VAL 27 HA VAL 27 0.470 -2.358 -5.372
155 HB VAL 27 HB VAL 27 -1.168 -2.779 -7.893
156 HG11 VAL 27 HG11 VAL 27 -1.702 -4.975 -6.958
157 HG12 VAL 27 HG12 VAL 27 -0.615 -4.654 -5.604
158 HG13 VAL 27 HG13 VAL 27 0.032 -4.785 -7.238
159 HG21 VAL 27 HG21 VAL 27 -3.092 -3.053 -6.394
160 HG22 VAL 27 HG22 VAL 27 -2.408 -1.432 -6.296
161 HG23 VAL 27 HG23 VAL 27 -2.082 -2.603 -5.021
162 H LEU 28 H LEU 28 2.393 -3.204 -5.660
163 HA LEU 28 HA LEU 28 3.636 -3.019 -8.302
164 HB2 LEU 28 HB2 LEU 28 4.895 -3.609 -5.609
165 HB3 LEU 28 HB3 LEU 28 5.764 -3.364 -7.107
166 HG LEU 28 HG LEU 28 4.177 -1.276 -5.605
167 HD11 LEU 28 HD11 LEU 28 6.354 -0.236 -5.221
168 HD12 LEU 28 HD12 LEU 28 7.135 -1.631 -5.972
169 HD13 LEU 28 HD13 LEU 28 6.223 -1.830 -4.481
170 HD21 LEU 28 HD21 LEU 28 5.098 0.323 -7.224
171 HD22 LEU 28 HD22 LEU 28 4.070 -0.872 -8.011
172 HD23 LEU 28 HD23 LEU 28 5.825 -1.009 -8.122
173 H ASN 29 H ASN 29 3.849 -5.181 -5.547
174 HA ASN 29 HA ASN 29 3.644 -7.525 -7.301
175 HB2 ASN 29 HB2 ASN 29 4.344 -7.269 -4.356
176 HB3 ASN 29 HB3 ASN 29 4.235 -8.792 -5.217
177 HD21 ASN 29 HD21 ASN 29 6.427 -7.704 -3.792
178 HD22 ASN 29 HD22 ASN 29 7.745 -7.508 -4.890
179 HA PRO 30 HA PRO 30 -0.552 -8.193 -5.989
180 HB2 PRO 30 HB2 PRO 30 0.108 -10.915 -4.984
181 HB3 PRO 30 HB3 PRO 30 -1.084 -10.426 -6.191
182 HG2 PRO 30 HG2 PRO 30 1.142 -11.625 -6.945
183 HG3 PRO 30 HG3 PRO 30 0.504 -10.261 -7.881
184 HD2 PRO 30 HD2 PRO 30 2.746 -10.295 -5.886
185 HD3 PRO 30 HD3 PRO 30 2.679 -9.504 -7.477
186 H TYR 31 H TYR 31 1.985 -9.043 -3.714
187 HA TYR 31 HA TYR 31 0.075 -8.636 -1.515
188 HB2 TYR 31 HB2 TYR 31 2.864 -9.802 -1.372
189 HB3 TYR 31 HB3 TYR 31 1.690 -9.728 -0.065
190 HD1 TYR 31 HD1 TYR 31 -0.079 -11.366 0.096
191 HD2 TYR 31 HD2 TYR 31 2.525 -11.332 -3.262
192 HE1 TYR 31 HE1 TYR 31 -0.912 -13.591 -0.578
193 HE2 TYR 31 HE2 TYR 31 1.715 -13.532 -3.934
194 HH TYR 31 HH TYR 31 0.676 -15.427 -2.987
195 H TYR 32 H TYR 32 2.934 -7.311 -3.027
196 HA TYR 32 HA TYR 32 3.037 -5.386 -0.847
197 HB2 TYR 32 HB2 TYR 32 5.190 -6.500 -1.244
198 HB3 TYR 32 HB3 TYR 32 5.195 -5.909 -2.903
199 HD1 TYR 32 HD1 TYR 32 4.936 -4.630 0.593
200 HD2 TYR 32 HD2 TYR 32 6.343 -3.936 -3.363
201 HE1 TYR 32 HE1 TYR 32 6.044 -2.574 1.355
202 HE2 TYR 32 HE2 TYR 32 7.452 -1.874 -2.604
203 HH TYR 32 HH TYR 32 7.917 -1.143 0.652
204 H SER 33 H SER 33 2.013 -3.660 -1.136
205 HA SER 33 HA SER 33 2.095 -2.296 -3.724
206 HB2 SER 33 HB2 SER 33 -0.191 -2.323 -1.703
207 HB3 SER 33 HB3 SER 33 -0.189 -1.528 -3.281
208 HG SER 33 HG SER 33 -1.196 -3.724 -2.982
209 H GLN 34 H GLN 34 2.719 -0.118 -3.474
210 HA GLN 34 HA GLN 34 3.279 0.658 -0.686
211 HB2 GLN 34 HB2 GLN 34 5.357 0.001 -1.877
212 HB3 GLN 34 HB3 GLN 34 5.035 1.234 -3.089
213 HG2 GLN 34 HG2 GLN 34 5.093 2.930 -1.237
214 HG3 GLN 34 HG3 GLN 34 5.664 1.653 -0.175
215 HE21 GLN 34 HE21 GLN 34 7.277 0.441 -2.282
216 HE22 GLN 34 HE22 GLN 34 8.638 1.458 -2.523
217 H CYS 35 H CYS 35 2.941 2.765 -0.165
218 HA CYS 35 HA CYS 35 1.336 4.376 -1.872
219 HB2 CYS 35 HB2 CYS 35 2.800 5.082 0.679
220 HB3 CYS 35 HB3 CYS 35 1.569 6.073 -0.096
221 H LEU 36 H LEU 36 2.187 5.132 -3.636
222 HA LEU 36 HA LEU 36 4.803 6.423 -3.565
223 HB2 LEU 36 HB2 LEU 36 3.505 4.792 -5.742
224 HB3 LEU 36 HB3 LEU 36 4.938 5.764 -5.977
225 HG LEU 36 HG LEU 36 4.789 3.443 -4.055
226 HD11 LEU 36 HD11 LEU 36 4.487 2.690 -6.357
227 HD12 LEU 36 HD12 LEU 36 6.070 2.223 -5.736
228 HD13 LEU 36 HD13 LEU 36 5.924 3.587 -6.847
229 HD21 LEU 36 HD21 LEU 36 7.088 5.067 -5.140
230 HD22 LEU 36 HD22 LEU 36 7.235 3.638 -4.118
231 HD23 LEU 36 HD23 LEU 36 6.473 5.096 -3.484
232 H1 MAN 101 H1 MAN 101 4.129 7.921 7.659
233 H2 MAN 101 H2 MAN 101 1.875 7.804 8.769
234 H3 MAN 101 H3 MAN 101 0.635 9.330 7.312
235 H4 MAN 101 H4 MAN 101 2.446 11.473 8.498
236 H5 MAN 101 H5 MAN 101 2.268 10.351 5.644
237 H61 MAN 101 H61 MAN 101 4.270 11.718 5.238
238 H62 MAN 101 H62 MAN 101 4.157 12.430 6.865
239 HO2 MAN 101 HO2 MAN 101 3.706 8.633 9.859
240 HO3 MAN 101 HO3 MAN 101 1.093 10.352 9.936
241 HO4 MAN 101 HO4 MAN 101 0.312 11.999 8.123
242 HO6 MAN 101 HO6 MAN 101 1.897 12.984 6.110
Start of MODEL 6
1 H1 THR 1 H1 THR 1 -3.684 7.588 8.587
2 H2 THR 1 H2 THR 1 -2.039 7.920 8.540
3 H3 THR 1 H3 THR 1 -2.548 6.373 8.938
4 HA THR 1 HA THR 1 -3.387 6.112 6.695
5 HB THR 1 HB THR 1 -2.575 7.889 5.072
6 HG1 THR 1 HG1 THR 1 -2.574 9.970 6.733
7 HG21 THR 1 HG21 THR 1 -4.948 7.742 5.727
8 HG22 THR 1 HG22 THR 1 -4.457 9.415 5.502
9 HG23 THR 1 HG23 THR 1 -4.619 8.756 7.130
10 H GLN 2 H GLN 2 -1.828 5.444 4.973
11 HA GLN 2 HA GLN 2 0.676 4.715 6.212
12 HB2 GLN 2 HB2 GLN 2 -0.692 3.131 4.809
13 HB3 GLN 2 HB3 GLN 2 -0.310 4.119 3.411
14 HG2 GLN 2 HG2 GLN 2 1.115 2.167 3.477
15 HG3 GLN 2 HG3 GLN 2 2.086 3.614 3.730
16 HE21 GLN 2 HE21 GLN 2 0.827 0.739 5.149
17 HE22 GLN 2 HE22 GLN 2 1.746 0.774 6.598
18 H SER 3 H SER 3 2.649 5.566 5.737
19 HA SER 3 HA SER 3 2.690 8.097 4.380
20 HB2 SER 3 HB2 SER 3 4.952 6.526 5.605
21 HB3 SER 3 HB3 SER 3 5.008 8.203 5.081
22 H HIS 4 H HIS 4 4.795 8.469 3.008
23 HA HIS 4 HA HIS 4 4.688 6.951 0.643
24 HB2 HIS 4 HB2 HIS 4 5.500 9.304 0.751
25 HB3 HIS 4 HB3 HIS 4 6.874 8.767 1.703
26 HD1 HIS 4 HD1 HIS 4 8.909 7.995 0.439
27 HD2 HIS 4 HD2 HIS 4 5.585 8.441 -2.008
28 HE1 HIS 4 HE1 HIS 4 9.755 7.715 -1.884
29 HE2 HIS 4 HE2 HIS 4 7.785 8.296 -3.340
30 H ALA 5 H ALA 5 5.757 5.180 0.066
31 HA ALA 5 HA ALA 5 6.916 3.311 0.144
32 HB1 ALA 5 HB1 ALA 5 8.916 4.750 0.134
33 HB2 ALA 5 HB2 ALA 5 9.192 3.261 1.043
34 HB3 ALA 5 HB3 ALA 5 8.896 4.779 1.896
35 H GLY 6 H GLY 6 5.103 2.526 1.178
36 HA2 GLY 6 HA2 GLY 6 5.761 1.011 3.478
37 HA3 GLY 6 HA3 GLY 6 4.524 2.242 3.775
38 H GLN 7 H GLN 7 4.164 -0.648 3.764
39 HA GLN 7 HA GLN 7 2.871 -1.249 1.280
40 HB2 GLN 7 HB2 GLN 7 4.009 -3.004 2.626
41 HB3 GLN 7 HB3 GLN 7 2.784 -2.803 3.870
42 HG2 GLN 7 HG2 GLN 7 1.075 -3.622 2.422
43 HG3 GLN 7 HG3 GLN 7 2.153 -3.653 1.035
44 HE21 GLN 7 HE21 GLN 7 0.654 -5.892 2.102
45 HE22 GLN 7 HE22 GLN 7 1.810 -7.045 2.605
46 H CYS 8 H CYS 8 1.081 -0.426 0.768
47 HA CYS 8 HA CYS 8 -0.760 0.630 2.728
48 HB2 CYS 8 HB2 CYS 8 -1.971 1.333 0.587
49 HB3 CYS 8 HB3 CYS 8 -0.414 2.074 0.952
50 H GLY 9 H GLY 9 -0.815 -1.938 0.260
51 HA2 GLY 9 HA2 GLY 9 -2.622 -3.476 1.668
52 HA3 GLY 9 HA3 GLY 9 -3.564 -2.367 0.687
53 H GLY 10 H GLY 10 -1.702 -5.197 0.744
54 HA2 GLY 10 HA2 GLY 10 -2.200 -5.548 -2.114
55 HA3 GLY 10 HA3 GLY 10 -0.915 -6.357 -1.210
56 H ILE 11 H ILE 11 -1.977 -8.337 -2.010
57 HA ILE 11 HA ILE 11 -4.544 -9.056 -1.107
58 HB ILE 11 HB ILE 11 -2.215 -10.853 -1.857
59 HG12 ILE 11 HG12 ILE 11 -4.632 -9.973 -3.456
60 HG13 ILE 11 HG13 ILE 11 -2.999 -9.347 -3.653
61 HG21 ILE 11 HG21 ILE 11 -5.134 -11.538 -1.503
62 HG22 ILE 11 HG22 ILE 11 -3.801 -12.087 -0.487
63 HG23 ILE 11 HG23 ILE 11 -3.911 -12.619 -2.167
64 HD11 ILE 11 HD11 ILE 11 -3.522 -10.961 -5.376
65 HD12 ILE 11 HD12 ILE 11 -3.895 -12.178 -4.156
66 HD13 ILE 11 HD13 ILE 11 -2.244 -11.576 -4.327
67 H GLY 12 H GLY 12 -5.091 -9.050 0.966
68 HA2 GLY 12 HA2 GLY 12 -5.255 -10.270 2.982
69 HA3 GLY 12 HA3 GLY 12 -3.603 -10.809 2.744
70 H TYR 13 H TYR 13 -4.208 -7.449 2.332
71 HA TYR 13 HA TYR 13 -3.044 -6.990 4.990
72 HB2 TYR 13 HB2 TYR 13 -1.555 -6.357 3.088
73 HB3 TYR 13 HB3 TYR 13 -2.776 -5.204 2.561
74 HD1 TYR 13 HD1 TYR 13 -0.195 -5.980 5.030
75 HD2 TYR 13 HD2 TYR 13 -3.079 -3.108 3.816
76 HE1 TYR 13 HE1 TYR 13 0.854 -4.315 6.501
77 HE2 TYR 13 HE2 TYR 13 -2.039 -1.436 5.275
78 HH TYR 13 HH TYR 13 0.983 -1.779 6.613
79 H SER 14 H SER 14 -4.554 -6.286 6.348
80 HA SER 14 HA SER 14 -6.739 -4.655 5.298
81 HB2 SER 14 HB2 SER 14 -7.831 -5.472 7.459
82 HB3 SER 14 HB3 SER 14 -7.552 -6.660 6.179
83 HG SER 14 HG SER 14 -6.221 -6.337 8.637
84 H GLY 15 H GLY 15 -3.980 -3.899 6.307
85 HA2 GLY 15 HA2 GLY 15 -4.480 -2.368 8.704
86 HA3 GLY 15 HA3 GLY 15 -2.981 -2.398 7.781
87 HA PRO 16 HA PRO 16 -4.860 1.706 6.921
88 HB2 PRO 16 HB2 PRO 16 -2.464 2.988 6.519
89 HB3 PRO 16 HB3 PRO 16 -3.244 2.843 8.097
90 HG2 PRO 16 HG2 PRO 16 -1.001 1.251 6.941
91 HG3 PRO 16 HG3 PRO 16 -1.239 1.811 8.604
92 HD2 PRO 16 HD2 PRO 16 -1.721 -0.742 7.814
93 HD3 PRO 16 HD3 PRO 16 -2.614 0.041 9.131
94 H THR 17 H THR 17 -5.720 1.004 4.993
95 HA THR 17 HA THR 17 -4.070 0.481 2.716
96 HB THR 17 HB THR 17 -6.376 0.231 1.622
97 HG1 THR 17 HG1 THR 17 -7.810 -0.187 3.747
98 HG21 THR 17 HG21 THR 17 -5.725 -1.439 4.064
99 HG22 THR 17 HG22 THR 17 -5.063 -1.686 2.451
100 HG23 THR 17 HG23 THR 17 -6.789 -1.922 2.746
101 H VAL 18 H VAL 18 -5.423 3.123 4.148
102 HA VAL 18 HA VAL 18 -5.563 4.693 1.726
103 HB VAL 18 HB VAL 18 -7.406 5.054 3.245
104 HG11 VAL 18 HG11 VAL 18 -5.372 5.745 5.350
105 HG12 VAL 18 HG12 VAL 18 -6.458 4.357 5.339
106 HG13 VAL 18 HG13 VAL 18 -7.110 5.986 5.510
107 HG21 VAL 18 HG21 VAL 18 -5.531 7.418 3.313
108 HG22 VAL 18 HG22 VAL 18 -7.267 7.485 3.628
109 HG23 VAL 18 HG23 VAL 18 -6.678 7.025 2.032
110 H CYS 19 H CYS 19 -3.902 5.793 1.034
111 HA CYS 19 HA CYS 19 -1.520 6.073 2.646
112 HB2 CYS 19 HB2 CYS 19 -2.076 6.917 -0.210
113 HB3 CYS 19 HB3 CYS 19 -0.504 6.911 0.571
114 H ALA 20 H ALA 20 -0.535 8.110 3.029
115 HA ALA 20 HA ALA 20 -2.358 10.169 3.695
116 HB1 ALA 20 HB1 ALA 20 -0.269 9.781 4.948
117 HB2 ALA 20 HB2 ALA 20 -0.431 11.450 4.410
118 HB3 ALA 20 HB3 ALA 20 0.653 10.357 3.558
119 H SER 21 H SER 21 -2.055 12.439 3.018
120 HA SER 21 HA SER 21 -2.934 12.871 0.501
121 HB2 SER 21 HB2 SER 21 -1.381 14.771 2.247
122 HB3 SER 21 HB3 SER 21 -2.472 15.229 0.939
123 HG SER 21 HG SER 21 -4.099 14.899 2.178
124 H GLY 22 H GLY 22 -2.002 12.492 -1.416
125 HA2 GLY 22 HA2 GLY 22 -0.563 13.476 -3.051
126 HA3 GLY 22 HA3 GLY 22 0.694 13.553 -1.829
127 H THR 23 H THR 23 -0.220 10.735 -1.031
128 HA THR 23 HA THR 23 1.392 9.476 -3.122
129 HB THR 23 HB THR 23 1.870 7.690 -1.373
130 HG1 THR 23 HG1 THR 23 0.179 9.243 0.072
131 HG21 THR 23 HG21 THR 23 3.638 9.023 -0.316
132 HG22 THR 23 HG22 THR 23 2.849 10.501 -0.868
133 HG23 THR 23 HG23 THR 23 3.518 9.367 -2.042
134 H THR 24 H THR 24 0.876 7.461 -3.949
135 HA THR 24 HA THR 24 -1.923 6.705 -3.533
136 HB THR 24 HB THR 24 -1.743 5.901 -5.963
137 HG1 THR 24 HG1 THR 24 0.757 6.995 -5.631
138 HG21 THR 24 HG21 THR 24 -3.067 7.859 -5.293
139 HG22 THR 24 HG22 THR 24 -2.287 8.121 -6.853
140 HG23 THR 24 HG23 THR 24 -1.628 8.871 -5.400
141 H CYS 25 H CYS 25 -2.383 4.483 -3.588
142 HA CYS 25 HA CYS 25 -0.224 2.832 -2.688
143 HB2 CYS 25 HB2 CYS 25 -2.519 2.687 -1.719
144 HB3 CYS 25 HB3 CYS 25 -3.102 2.113 -3.275
145 H GLN 26 H GLN 26 1.186 2.311 -4.234
146 HA GLN 26 HA GLN 26 0.268 1.534 -6.872
147 HB2 GLN 26 HB2 GLN 26 3.043 1.892 -5.732
148 HB3 GLN 26 HB3 GLN 26 2.689 1.481 -7.405
149 HG2 GLN 26 HG2 GLN 26 1.871 4.017 -6.002
150 HG3 GLN 26 HG3 GLN 26 3.200 3.847 -7.153
151 HE21 GLN 26 HE21 GLN 26 0.769 5.501 -7.264
152 HE22 GLN 26 HE22 GLN 26 0.015 5.072 -8.741
153 H VAL 27 H VAL 27 -0.096 -0.483 -7.338
154 HA VAL 27 HA VAL 27 0.651 -2.558 -5.479
155 HB VAL 27 HB VAL 27 -0.859 -2.777 -8.105
156 HG11 VAL 27 HG11 VAL 27 -1.675 -4.914 -7.227
157 HG12 VAL 27 HG12 VAL 27 -0.671 -4.705 -5.792
158 HG13 VAL 27 HG13 VAL 27 0.084 -4.901 -7.372
159 HG21 VAL 27 HG21 VAL 27 -2.028 -1.301 -6.567
160 HG22 VAL 27 HG22 VAL 27 -1.942 -2.525 -5.300
161 HG23 VAL 27 HG23 VAL 27 -2.905 -2.822 -6.752
162 H LEU 28 H LEU 28 2.642 -3.287 -5.649
163 HA LEU 28 HA LEU 28 3.948 -3.322 -8.266
164 HB2 LEU 28 HB2 LEU 28 5.100 -3.905 -5.525
165 HB3 LEU 28 HB3 LEU 28 6.007 -3.750 -7.012
166 HG LEU 28 HG LEU 28 4.517 -1.518 -5.627
167 HD11 LEU 28 HD11 LEU 28 7.469 -2.069 -5.860
168 HD12 LEU 28 HD12 LEU 28 6.492 -2.200 -4.399
169 HD13 LEU 28 HD13 LEU 28 6.743 -0.627 -5.150
170 HD21 LEU 28 HD21 LEU 28 6.300 -1.464 -8.063
171 HD22 LEU 28 HD22 LEU 28 5.624 -0.051 -7.255
172 HD23 LEU 28 HD23 LEU 28 4.554 -1.203 -8.051
173 H ASN 29 H ASN 29 3.890 -5.393 -5.453
174 HA ASN 29 HA ASN 29 3.814 -7.748 -7.180
175 HB2 ASN 29 HB2 ASN 29 4.374 -7.491 -4.199
176 HB3 ASN 29 HB3 ASN 29 4.328 -9.005 -5.084
177 HD21 ASN 29 HD21 ASN 29 6.157 -6.124 -4.472
178 HD22 ASN 29 HD22 ASN 29 7.575 -6.597 -5.322
179 HA PRO 30 HA PRO 30 -0.471 -8.462 -6.215
180 HB2 PRO 30 HB2 PRO 30 0.099 -11.085 -4.948
181 HB3 PRO 30 HB3 PRO 30 -0.949 -10.712 -6.320
182 HG2 PRO 30 HG2 PRO 30 1.387 -11.939 -6.662
183 HG3 PRO 30 HG3 PRO 30 0.799 -10.744 -7.833
184 HD2 PRO 30 HD2 PRO 30 2.882 -10.468 -5.710
185 HD3 PRO 30 HD3 PRO 30 2.863 -9.799 -7.352
186 H TYR 31 H TYR 31 1.748 -9.486 -3.675
187 HA TYR 31 HA TYR 31 -0.236 -8.836 -1.637
188 HB2 TYR 31 HB2 TYR 31 2.510 -10.069 -1.377
189 HB3 TYR 31 HB3 TYR 31 1.355 -9.857 -0.070
190 HD1 TYR 31 HD1 TYR 31 -0.279 -11.508 0.347
191 HD2 TYR 31 HD2 TYR 31 1.888 -11.625 -3.300
192 HE1 TYR 31 HE1 TYR 31 -1.194 -13.743 -0.130
193 HE2 TYR 31 HE2 TYR 31 0.986 -13.845 -3.784
194 HH TYR 31 HH TYR 31 -1.603 -15.151 -2.112
195 H TYR 32 H TYR 32 2.652 -7.543 -3.084
196 HA TYR 32 HA TYR 32 2.858 -5.697 -0.823
197 HB2 TYR 32 HB2 TYR 32 4.915 -7.008 -1.427
198 HB3 TYR 32 HB3 TYR 32 4.952 -6.126 -2.950
199 HD1 TYR 32 HD1 TYR 32 4.976 -5.594 0.721
200 HD2 TYR 32 HD2 TYR 32 6.110 -4.090 -3.092
201 HE1 TYR 32 HE1 TYR 32 6.287 -3.842 1.818
202 HE2 TYR 32 HE2 TYR 32 7.427 -2.312 -1.999
203 HH TYR 32 HH TYR 32 7.612 -1.143 0.158
204 H SER 33 H SER 33 1.847 -3.948 -1.090
205 HA SER 33 HA SER 33 1.973 -2.516 -3.637
206 HB2 SER 33 HB2 SER 33 -0.264 -2.556 -1.582
207 HB3 SER 33 HB3 SER 33 -0.294 -1.661 -3.095
208 HG SER 33 HG SER 33 -1.394 -3.756 -3.003
209 H GLN 34 H GLN 34 2.554 -0.331 -3.354
210 HA GLN 34 HA GLN 34 3.208 0.422 -0.594
211 HB2 GLN 34 HB2 GLN 34 5.190 -0.541 -1.583
212 HB3 GLN 34 HB3 GLN 34 5.053 0.525 -2.969
213 HG2 GLN 34 HG2 GLN 34 5.582 2.427 -1.636
214 HG3 GLN 34 HG3 GLN 34 5.483 1.461 -0.161
215 HE21 GLN 34 HE21 GLN 34 7.370 2.128 -3.012
216 HE22 GLN 34 HE22 GLN 34 8.804 1.379 -2.423
217 H CYS 35 H CYS 35 2.824 2.496 -0.063
218 HA CYS 35 HA CYS 35 1.461 4.225 -1.864
219 HB2 CYS 35 HB2 CYS 35 2.682 4.877 0.824
220 HB3 CYS 35 HB3 CYS 35 1.576 5.910 -0.068
221 H LEU 36 H LEU 36 2.387 5.176 -3.471
222 HA LEU 36 HA LEU 36 4.884 6.618 -3.089
223 HB2 LEU 36 HB2 LEU 36 4.078 4.941 -5.476
224 HB3 LEU 36 HB3 LEU 36 5.435 6.043 -5.459
225 HG LEU 36 HG LEU 36 5.181 3.569 -3.738
226 HD11 LEU 36 HD11 LEU 36 5.465 3.020 -6.097
227 HD12 LEU 36 HD12 LEU 36 6.926 2.650 -5.184
228 HD13 LEU 36 HD13 LEU 36 6.859 4.098 -6.186
229 HD21 LEU 36 HD21 LEU 36 6.515 5.302 -2.667
230 HD22 LEU 36 HD22 LEU 36 7.459 5.506 -4.139
231 HD23 LEU 36 HD23 LEU 36 7.561 3.997 -3.232
232 H1 MAN 101 H1 MAN 101 5.764 7.458 7.602
233 H2 MAN 101 H2 MAN 101 3.581 8.936 9.098
234 H3 MAN 101 H3 MAN 101 5.214 10.513 9.647
235 H4 MAN 101 H4 MAN 101 7.246 8.282 9.205
236 H5 MAN 101 H5 MAN 101 6.997 10.866 7.566
237 H61 MAN 101 H61 MAN 101 7.923 8.009 7.033
238 H62 MAN 101 H62 MAN 101 8.934 9.472 7.031
239 HO2 MAN 101 HO2 MAN 101 3.952 6.722 9.360
240 HO3 MAN 101 HO3 MAN 101 5.892 8.176 11.104
241 HO4 MAN 101 HO4 MAN 101 8.725 10.024 9.497
242 HO6 MAN 101 HO6 MAN 101 6.686 9.294 5.322
Start of MODEL 7
1 H1 THR 1 H1 THR 1 -1.898 6.070 9.289
2 H2 THR 1 H2 THR 1 -2.673 4.635 8.864
3 H3 THR 1 H3 THR 1 -3.561 6.072 9.080
4 HA THR 1 HA THR 1 -3.278 5.584 6.750
5 HB THR 1 HB THR 1 -1.720 7.980 7.752
6 HG1 THR 1 HG1 THR 1 -4.357 8.400 7.201
7 HG21 THR 1 HG21 THR 1 -3.425 7.598 5.279
8 HG22 THR 1 HG22 THR 1 -1.663 7.680 5.304
9 HG23 THR 1 HG23 THR 1 -2.618 9.093 5.750
10 H GLN 2 H GLN 2 -1.824 4.913 5.092
11 HA GLN 2 HA GLN 2 0.756 4.128 6.105
12 HB2 GLN 2 HB2 GLN 2 -0.601 2.558 4.710
13 HB3 GLN 2 HB3 GLN 2 -0.430 3.662 3.355
14 HG2 GLN 2 HG2 GLN 2 1.121 1.765 3.233
15 HG3 GLN 2 HG3 GLN 2 1.983 3.295 3.319
16 HE21 GLN 2 HE21 GLN 2 1.211 0.358 4.948
17 HE22 GLN 2 HE22 GLN 2 2.366 0.531 6.220
18 H SER 3 H SER 3 2.634 4.972 5.532
19 HA SER 3 HA SER 3 2.509 7.638 4.382
20 HB2 SER 3 HB2 SER 3 3.514 7.263 6.568
21 HB3 SER 3 HB3 SER 3 4.731 6.202 5.846
22 H HIS 4 H HIS 4 4.843 8.117 3.313
23 HA HIS 4 HA HIS 4 4.795 6.864 0.788
24 HB2 HIS 4 HB2 HIS 4 5.597 9.202 1.215
25 HB3 HIS 4 HB3 HIS 4 7.011 8.530 2.015
26 HD1 HIS 4 HD1 HIS 4 8.972 8.757 0.488
27 HD2 HIS 4 HD2 HIS 4 5.498 7.835 -1.586
28 HE1 HIS 4 HE1 HIS 4 9.649 8.544 -1.905
29 HE2 HIS 4 HE2 HIS 4 7.541 8.047 -3.154
30 H ALA 5 H ALA 5 5.536 4.996 0.267
31 HA ALA 5 HA ALA 5 6.566 3.060 0.193
32 HB1 ALA 5 HB1 ALA 5 8.711 4.334 0.167
33 HB2 ALA 5 HB2 ALA 5 8.845 2.735 0.895
34 HB3 ALA 5 HB3 ALA 5 8.777 4.158 1.926
35 H GLY 6 H GLY 6 5.046 1.949 1.122
36 HA2 GLY 6 HA2 GLY 6 5.557 0.496 3.442
37 HA3 GLY 6 HA3 GLY 6 4.346 1.747 3.754
38 H GLN 7 H GLN 7 3.584 -0.967 3.780
39 HA GLN 7 HA GLN 7 2.492 -1.483 1.156
40 HB2 GLN 7 HB2 GLN 7 3.390 -3.368 2.489
41 HB3 GLN 7 HB3 GLN 7 2.182 -3.065 3.723
42 HG2 GLN 7 HG2 GLN 7 0.416 -3.706 2.247
43 HG3 GLN 7 HG3 GLN 7 1.529 -3.857 0.885
44 HE21 GLN 7 HE21 GLN 7 -0.222 -5.924 2.009
45 HE22 GLN 7 HE22 GLN 7 0.836 -7.181 2.506
46 H CYS 8 H CYS 8 0.764 -0.557 0.549
47 HA CYS 8 HA CYS 8 -1.118 0.577 2.477
48 HB2 CYS 8 HB2 CYS 8 -2.033 1.661 0.420
49 HB3 CYS 8 HB3 CYS 8 -0.381 2.095 0.845
50 H GLY 9 H GLY 9 -1.118 -1.801 -0.139
51 HA2 GLY 9 HA2 GLY 9 -3.589 -2.842 0.891
52 HA3 GLY 9 HA3 GLY 9 -3.796 -1.972 -0.622
53 H GLY 10 H GLY 10 -1.743 -4.392 0.815
54 HA2 GLY 10 HA2 GLY 10 -1.787 -5.796 -1.768
55 HA3 GLY 10 HA3 GLY 10 -0.493 -5.946 -0.573
56 H ILE 11 H ILE 11 -1.987 -8.129 -1.596
57 HA ILE 11 HA ILE 11 -4.148 -8.896 -0.016
58 HB ILE 11 HB ILE 11 -2.102 -10.689 -1.365
59 HG12 ILE 11 HG12 ILE 11 -4.773 -9.672 -2.380
60 HG13 ILE 11 HG13 ILE 11 -3.206 -9.057 -2.883
61 HG21 ILE 11 HG21 ILE 11 -4.920 -11.297 -0.447
62 HG22 ILE 11 HG22 ILE 11 -3.435 -11.900 0.285
63 HG23 ILE 11 HG23 ILE 11 -3.874 -12.398 -1.348
64 HD11 ILE 11 HD11 ILE 11 -4.228 -11.857 -3.315
65 HD12 ILE 11 HD12 ILE 11 -2.660 -11.238 -3.839
66 HD13 ILE 11 HD13 ILE 11 -4.142 -10.579 -4.530
67 H GLY 12 H GLY 12 -4.235 -9.196 2.088
68 HA2 GLY 12 HA2 GLY 12 -3.587 -10.653 3.952
69 HA3 GLY 12 HA3 GLY 12 -1.914 -10.395 3.472
70 H TYR 13 H TYR 13 -3.082 -7.509 2.955
71 HA TYR 13 HA TYR 13 -2.332 -6.538 5.603
72 HB2 TYR 13 HB2 TYR 13 -1.190 -5.570 3.665
73 HB3 TYR 13 HB3 TYR 13 -2.725 -5.129 2.949
74 HD1 TYR 13 HD1 TYR 13 -0.463 -4.404 5.819
75 HD2 TYR 13 HD2 TYR 13 -3.685 -3.060 3.402
76 HE1 TYR 13 HE1 TYR 13 -0.274 -2.159 6.820
77 HE2 TYR 13 HE2 TYR 13 -3.519 -0.840 4.400
78 HH TYR 13 HH TYR 13 -2.636 0.348 5.993
79 H SER 14 H SER 14 -3.875 -5.988 7.030
80 HA SER 14 HA SER 14 -6.593 -5.608 6.028
81 HB2 SER 14 HB2 SER 14 -7.188 -6.380 8.393
82 HB3 SER 14 HB3 SER 14 -6.513 -7.589 7.301
83 HG SER 14 HG SER 14 -5.213 -7.891 8.914
84 H GLY 15 H GLY 15 -4.122 -3.806 7.009
85 HA2 GLY 15 HA2 GLY 15 -5.431 -2.115 8.953
86 HA3 GLY 15 HA3 GLY 15 -3.858 -1.845 8.217
87 HA PRO 16 HA PRO 16 -6.768 1.230 6.334
88 HB2 PRO 16 HB2 PRO 16 -5.106 3.362 6.527
89 HB3 PRO 16 HB3 PRO 16 -6.173 2.867 7.843
90 HG2 PRO 16 HG2 PRO 16 -3.256 2.356 7.478
91 HG3 PRO 16 HG3 PRO 16 -4.142 2.790 8.954
92 HD2 PRO 16 HD2 PRO 16 -3.353 0.244 8.366
93 HD3 PRO 16 HD3 PRO 16 -4.789 0.626 9.339
94 H THR 17 H THR 17 -6.794 1.304 4.187
95 HA THR 17 HA THR 17 -4.437 0.600 2.731
96 HB THR 17 HB THR 17 -6.100 0.659 0.818
97 HG1 THR 17 HG1 THR 17 -8.209 0.963 1.318
98 HG21 THR 17 HG21 THR 17 -6.737 -1.105 3.198
99 HG22 THR 17 HG22 THR 17 -5.483 -1.416 1.997
100 HG23 THR 17 HG23 THR 17 -7.180 -1.442 1.521
101 H VAL 18 H VAL 18 -5.991 3.391 3.708
102 HA VAL 18 HA VAL 18 -5.421 4.974 1.411
103 HB VAL 18 HB VAL 18 -7.328 5.461 2.922
104 HG11 VAL 18 HG11 VAL 18 -6.349 5.045 5.076
105 HG12 VAL 18 HG12 VAL 18 -7.005 6.681 5.009
106 HG13 VAL 18 HG13 VAL 18 -5.266 6.424 4.880
107 HG21 VAL 18 HG21 VAL 18 -5.366 7.711 2.546
108 HG22 VAL 18 HG22 VAL 18 -7.074 7.923 2.925
109 HG23 VAL 18 HG23 VAL 18 -6.597 7.178 1.400
110 H CYS 19 H CYS 19 -3.785 6.169 0.937
111 HA CYS 19 HA CYS 19 -1.400 6.023 2.585
112 HB2 CYS 19 HB2 CYS 19 -1.824 7.009 -0.240
113 HB3 CYS 19 HB3 CYS 19 -0.270 6.884 0.576
114 H ALA 20 H ALA 20 -0.075 7.996 2.672
115 HA ALA 20 HA ALA 20 -1.442 10.225 3.681
116 HB1 ALA 20 HB1 ALA 20 0.770 11.293 3.689
117 HB2 ALA 20 HB2 ALA 20 1.406 9.972 2.710
118 HB3 ALA 20 HB3 ALA 20 0.837 9.660 4.351
119 H SER 21 H SER 21 -1.935 12.151 2.740
120 HA SER 21 HA SER 21 -2.612 12.268 0.063
121 HB2 SER 21 HB2 SER 21 -3.594 13.702 1.826
122 HB3 SER 21 HB3 SER 21 -2.069 14.566 1.969
123 HG SER 21 HG SER 21 -3.896 15.390 0.570
124 H GLY 22 H GLY 22 -1.505 12.631 -1.726
125 HA2 GLY 22 HA2 GLY 22 0.177 13.864 -2.942
126 HA3 GLY 22 HA3 GLY 22 1.220 13.720 -1.530
127 H THR 23 H THR 23 0.114 10.884 -1.211
128 HA THR 23 HA THR 23 1.742 9.709 -3.336
129 HB THR 23 HB THR 23 2.235 7.806 -1.812
130 HG1 THR 23 HG1 THR 23 0.647 9.311 -0.021
131 HG21 THR 23 HG21 THR 23 3.848 9.607 -1.978
132 HG22 THR 23 HG22 THR 23 3.809 8.985 -0.325
133 HG23 THR 23 HG23 THR 23 3.001 10.502 -0.720
134 H THR 24 H THR 24 1.058 7.577 -4.075
135 HA THR 24 HA THR 24 -1.774 7.098 -3.572
136 HB THR 24 HB THR 24 -1.805 6.241 -5.987
137 HG1 THR 24 HG1 THR 24 0.785 7.031 -5.864
138 HG21 THR 24 HG21 THR 24 -2.957 8.294 -5.319
139 HG22 THR 24 HG22 THR 24 -2.222 8.490 -6.912
140 HG23 THR 24 HG23 THR 24 -1.455 9.202 -5.490
141 H CYS 25 H CYS 25 -2.391 4.918 -3.623
142 HA CYS 25 HA CYS 25 -0.333 3.126 -2.756
143 HB2 CYS 25 HB2 CYS 25 -2.563 3.070 -1.739
144 HB3 CYS 25 HB3 CYS 25 -3.271 2.627 -3.287
145 H GLN 26 H GLN 26 1.041 2.495 -4.330
146 HA GLN 26 HA GLN 26 -0.142 1.679 -6.858
147 HB2 GLN 26 HB2 GLN 26 2.753 2.244 -6.208
148 HB3 GLN 26 HB3 GLN 26 2.123 1.850 -7.797
149 HG2 GLN 26 HG2 GLN 26 0.690 3.923 -7.618
150 HG3 GLN 26 HG3 GLN 26 1.630 4.339 -6.187
151 HE21 GLN 26 HE21 GLN 26 2.548 6.171 -7.056
152 HE22 GLN 26 HE22 GLN 26 3.665 6.124 -8.366
153 H VAL 27 H VAL 27 -0.529 -0.324 -7.103
154 HA VAL 27 HA VAL 27 0.505 -2.386 -5.437
155 HB VAL 27 HB VAL 27 -0.993 -2.629 -8.068
156 HG11 VAL 27 HG11 VAL 27 -0.665 -4.601 -5.812
157 HG12 VAL 27 HG12 VAL 27 0.093 -4.705 -7.399
158 HG13 VAL 27 HG13 VAL 27 -1.662 -4.842 -7.250
159 HG21 VAL 27 HG21 VAL 27 -2.261 -1.277 -6.490
160 HG22 VAL 27 HG22 VAL 27 -2.078 -2.521 -5.251
161 HG23 VAL 27 HG23 VAL 27 -3.027 -2.854 -6.702
162 H LEU 28 H LEU 28 2.449 -3.226 -5.661
163 HA LEU 28 HA LEU 28 3.828 -2.975 -8.234
164 HB2 LEU 28 HB2 LEU 28 4.934 -3.614 -5.490
165 HB3 LEU 28 HB3 LEU 28 5.890 -3.360 -6.931
166 HG LEU 28 HG LEU 28 4.250 -1.283 -5.483
167 HD11 LEU 28 HD11 LEU 28 6.415 -0.270 -4.983
168 HD12 LEU 28 HD12 LEU 28 7.224 -1.639 -5.744
169 HD13 LEU 28 HD13 LEU 28 6.259 -1.882 -4.289
170 HD21 LEU 28 HD21 LEU 28 5.248 0.329 -7.045
171 HD22 LEU 28 HD22 LEU 28 4.246 -0.853 -7.887
172 HD23 LEU 28 HD23 LEU 28 6.004 -0.998 -7.927
173 H ASN 29 H ASN 29 3.877 -5.201 -5.523
174 HA ASN 29 HA ASN 29 3.906 -7.485 -7.351
175 HB2 ASN 29 HB2 ASN 29 4.281 -7.350 -4.339
176 HB3 ASN 29 HB3 ASN 29 4.385 -8.810 -5.311
177 HD21 ASN 29 HD21 ASN 29 6.326 -7.643 -3.573
178 HD22 ASN 29 HD22 ASN 29 7.721 -7.301 -4.524
179 HA PRO 30 HA PRO 30 -0.381 -8.375 -6.412
180 HB2 PRO 30 HB2 PRO 30 0.365 -11.095 -5.450
181 HB3 PRO 30 HB3 PRO 30 -0.778 -10.636 -6.714
182 HG2 PRO 30 HG2 PRO 30 1.572 -11.674 -7.370
183 HG3 PRO 30 HG3 PRO 30 0.910 -10.317 -8.299
184 HD2 PRO 30 HD2 PRO 30 3.016 -10.303 -6.169
185 HD3 PRO 30 HD3 PRO 30 3.004 -9.441 -7.720
186 H TYR 31 H TYR 31 2.016 -9.218 -3.995
187 HA TYR 31 HA TYR 31 -0.031 -8.887 -1.922
188 HB2 TYR 31 HB2 TYR 31 2.736 -10.080 -1.709
189 HB3 TYR 31 HB3 TYR 31 1.628 -9.877 -0.370
190 HD1 TYR 31 HD1 TYR 31 -0.128 -11.426 0.017
191 HD2 TYR 31 HD2 TYR 31 2.163 -11.676 -3.553
192 HE1 TYR 31 HE1 TYR 31 -1.117 -13.618 -0.452
193 HE2 TYR 31 HE2 TYR 31 1.183 -13.869 -4.045
194 HH TYR 31 HH TYR 31 0.126 -15.683 -2.869
195 H TYR 32 H TYR 32 2.833 -7.403 -3.229
196 HA TYR 32 HA TYR 32 2.795 -5.589 -0.941
197 HB2 TYR 32 HB2 TYR 32 4.965 -6.727 -1.439
198 HB3 TYR 32 HB3 TYR 32 5.016 -5.842 -2.960
199 HD1 TYR 32 HD1 TYR 32 6.106 -3.768 -3.014
200 HD2 TYR 32 HD2 TYR 32 4.691 -5.275 0.704
201 HE1 TYR 32 HE1 TYR 32 7.204 -1.902 -1.839
202 HE2 TYR 32 HE2 TYR 32 5.784 -3.424 1.883
203 HH TYR 32 HH TYR 32 7.204 -0.728 0.215
204 H SER 33 H SER 33 1.665 -3.861 -1.245
205 HA SER 33 HA SER 33 1.864 -2.444 -3.801
206 HB2 SER 33 HB2 SER 33 -0.407 -2.364 -1.783
207 HB3 SER 33 HB3 SER 33 -0.391 -1.605 -3.374
208 HG SER 33 HG SER 33 -1.486 -3.775 -3.072
209 H GLN 34 H GLN 34 2.489 -0.268 -3.552
210 HA GLN 34 HA GLN 34 3.155 0.456 -0.798
211 HB2 GLN 34 HB2 GLN 34 5.121 -0.470 -1.746
212 HB3 GLN 34 HB3 GLN 34 4.945 0.478 -3.211
213 HG2 GLN 34 HG2 GLN 34 5.500 2.487 -2.042
214 HG3 GLN 34 HG3 GLN 34 5.430 1.623 -0.505
215 HE21 GLN 34 HE21 GLN 34 7.251 2.012 -3.457
216 HE22 GLN 34 HE22 GLN 34 8.705 1.319 -2.839
217 H CYS 35 H CYS 35 2.857 2.550 -0.242
218 HA CYS 35 HA CYS 35 1.471 4.320 -1.980
219 HB2 CYS 35 HB2 CYS 35 2.785 4.902 0.673
220 HB3 CYS 35 HB3 CYS 35 1.640 5.950 -0.154
221 H LEU 36 H LEU 36 2.381 5.245 -3.607
222 HA LEU 36 HA LEU 36 4.870 6.717 -3.295
223 HB2 LEU 36 HB2 LEU 36 4.067 5.007 -5.664
224 HB3 LEU 36 HB3 LEU 36 5.451 6.076 -5.613
225 HG LEU 36 HG LEU 36 5.097 3.614 -3.895
226 HD11 LEU 36 HD11 LEU 36 6.845 2.637 -5.319
227 HD12 LEU 36 HD12 LEU 36 6.821 4.086 -6.320
228 HD13 LEU 36 HD13 LEU 36 5.397 3.051 -6.237
229 HD21 LEU 36 HD21 LEU 36 7.458 5.459 -4.265
230 HD22 LEU 36 HD22 LEU 36 7.461 3.980 -3.311
231 HD23 LEU 36 HD23 LEU 36 6.463 5.342 -2.818
232 H1 MAN 101 H1 MAN 101 6.523 7.594 6.574
233 H2 MAN 101 H2 MAN 101 4.476 8.044 8.043
234 H3 MAN 101 H3 MAN 101 3.696 10.032 6.834
235 H4 MAN 101 H4 MAN 101 6.198 11.321 8.010
236 H5 MAN 101 H5 MAN 101 5.448 10.734 5.059
237 H61 MAN 101 H61 MAN 101 7.842 12.017 6.431
238 H62 MAN 101 H62 MAN 101 6.835 12.736 5.152
239 HO2 MAN 101 HO2 MAN 101 5.700 9.159 9.610
240 HO3 MAN 101 HO3 MAN 101 4.549 10.661 9.517
241 HO4 MAN 101 HO4 MAN 101 4.338 12.611 7.932
242 HO6 MAN 101 HO6 MAN 101 8.223 10.272 4.774
Start of MODEL 8
1 H1 THR 1 H1 THR 1 -2.703 6.369 9.070
2 H2 THR 1 H2 THR 1 -3.189 4.916 8.398
3 H3 THR 1 H3 THR 1 -4.303 6.193 8.578
4 HA THR 1 HA THR 1 -3.644 6.012 6.319
5 HB THR 1 HB THR 1 -2.414 8.439 7.661
6 HG1 THR 1 HG1 THR 1 -4.749 9.175 7.286
7 HG21 THR 1 HG21 THR 1 -3.204 9.611 5.650
8 HG22 THR 1 HG22 THR 1 -3.835 8.099 5.005
9 HG23 THR 1 HG23 THR 1 -2.097 8.311 5.219
10 H GLN 2 H GLN 2 -2.141 5.033 5.134
11 HA GLN 2 HA GLN 2 0.479 4.498 6.180
12 HB2 GLN 2 HB2 GLN 2 -0.886 2.792 4.988
13 HB3 GLN 2 HB3 GLN 2 -0.813 3.771 3.536
14 HG2 GLN 2 HG2 GLN 2 0.751 1.896 3.464
15 HG3 GLN 2 HG3 GLN 2 1.603 3.436 3.412
16 HE21 GLN 2 HE21 GLN 2 0.935 0.614 5.225
17 HE22 GLN 2 HE22 GLN 2 2.132 0.857 6.443
18 H SER 3 H SER 3 2.428 5.027 5.005
19 HA SER 3 HA SER 3 2.129 7.388 3.324
20 HB2 SER 3 HB2 SER 3 4.017 7.048 5.649
21 HB3 SER 3 HB3 SER 3 4.077 8.388 4.493
22 H HIS 4 H HIS 4 4.809 7.883 2.851
23 HA HIS 4 HA HIS 4 5.131 6.239 0.598
24 HB2 HIS 4 HB2 HIS 4 5.956 8.621 0.881
25 HB3 HIS 4 HB3 HIS 4 7.268 7.969 1.854
26 HD1 HIS 4 HD1 HIS 4 9.344 7.249 0.569
27 HD2 HIS 4 HD2 HIS 4 6.009 7.682 -1.875
28 HE1 HIS 4 HE1 HIS 4 10.170 6.927 -1.747
29 HE2 HIS 4 HE2 HIS 4 8.202 7.484 -3.209
30 H ALA 5 H ALA 5 6.338 4.477 0.184
31 HA ALA 5 HA ALA 5 7.655 2.694 0.405
32 HB1 ALA 5 HB1 ALA 5 8.858 3.981 2.865
33 HB2 ALA 5 HB2 ALA 5 9.452 4.196 1.219
34 HB3 ALA 5 HB3 ALA 5 9.516 2.606 1.983
35 H GLY 6 H GLY 6 5.127 3.314 2.146
36 HA2 GLY 6 HA2 GLY 6 5.377 0.992 3.905
37 HA3 GLY 6 HA3 GLY 6 4.157 2.254 4.015
38 H GLN 7 H GLN 7 3.822 -0.617 3.875
39 HA GLN 7 HA GLN 7 2.753 -1.190 1.275
40 HB2 GLN 7 HB2 GLN 7 3.712 -2.992 2.663
41 HB3 GLN 7 HB3 GLN 7 2.482 -2.703 3.883
42 HG2 GLN 7 HG2 GLN 7 0.761 -3.435 2.433
43 HG3 GLN 7 HG3 GLN 7 1.826 -3.582 1.054
44 HE21 GLN 7 HE21 GLN 7 0.195 -5.656 2.157
45 HE22 GLN 7 HE22 GLN 7 1.237 -6.899 2.725
46 H CYS 8 H CYS 8 0.965 -0.393 0.637
47 HA CYS 8 HA CYS 8 -0.902 0.684 2.579
48 HB2 CYS 8 HB2 CYS 8 -1.934 1.711 0.557
49 HB3 CYS 8 HB3 CYS 8 -0.282 2.210 0.927
50 H GLY 9 H GLY 9 -0.937 -1.673 -0.077
51 HA2 GLY 9 HA2 GLY 9 -3.410 -2.728 0.983
52 HA3 GLY 9 HA3 GLY 9 -3.614 -1.855 -0.527
53 H GLY 10 H GLY 10 -1.704 -4.356 0.936
54 HA2 GLY 10 HA2 GLY 10 -1.698 -5.713 -1.664
55 HA3 GLY 10 HA3 GLY 10 -0.428 -5.903 -0.454
56 H ILE 11 H ILE 11 -2.053 -7.966 -1.616
57 HA ILE 11 HA ILE 11 -4.145 -8.816 0.012
58 HB ILE 11 HB ILE 11 -2.110 -10.537 -1.444
59 HG12 ILE 11 HG12 ILE 11 -4.816 -9.543 -2.377
60 HG13 ILE 11 HG13 ILE 11 -3.270 -8.878 -2.891
61 HG21 ILE 11 HG21 ILE 11 -3.389 -11.813 0.198
62 HG22 ILE 11 HG22 ILE 11 -3.854 -12.259 -1.444
63 HG23 ILE 11 HG23 ILE 11 -4.895 -11.200 -0.490
64 HD11 ILE 11 HD11 ILE 11 -4.228 -11.693 -3.380
65 HD12 ILE 11 HD12 ILE 11 -2.694 -11.013 -3.924
66 HD13 ILE 11 HD13 ILE 11 -4.214 -10.384 -4.561
67 H GLY 12 H GLY 12 -4.195 -9.443 2.079
68 HA2 GLY 12 HA2 GLY 12 -3.388 -10.889 3.833
69 HA3 GLY 12 HA3 GLY 12 -1.747 -10.546 3.289
70 H TYR 13 H TYR 13 -2.838 -7.692 2.904
71 HA TYR 13 HA TYR 13 -2.288 -6.817 5.649
72 HB2 TYR 13 HB2 TYR 13 -0.849 -5.963 3.782
73 HB3 TYR 13 HB3 TYR 13 -2.282 -5.286 3.043
74 HD1 TYR 13 HD1 TYR 13 -0.256 -5.107 6.162
75 HD2 TYR 13 HD2 TYR 13 -2.899 -3.098 3.509
76 HE1 TYR 13 HE1 TYR 13 0.143 -3.003 7.361
77 HE2 TYR 13 HE2 TYR 13 -2.510 -0.995 4.704
78 HH TYR 13 HH TYR 13 -1.726 -0.167 6.726
79 H SER 14 H SER 14 -4.153 -6.551 6.758
80 HA SER 14 HA SER 14 -6.488 -5.642 5.271
81 HB2 SER 14 HB2 SER 14 -7.701 -6.630 7.286
82 HB3 SER 14 HB3 SER 14 -6.874 -7.758 6.209
83 HG SER 14 HG SER 14 -6.342 -7.022 8.795
84 H GLY 15 H GLY 15 -4.176 -4.229 6.910
85 HA2 GLY 15 HA2 GLY 15 -5.675 -2.688 8.841
86 HA3 GLY 15 HA3 GLY 15 -3.979 -2.488 8.414
87 HA PRO 16 HA PRO 16 -6.167 1.245 6.793
88 HB2 PRO 16 HB2 PRO 16 -3.966 2.870 7.041
89 HB3 PRO 16 HB3 PRO 16 -5.153 2.613 8.322
90 HG2 PRO 16 HG2 PRO 16 -2.472 1.357 7.947
91 HG3 PRO 16 HG3 PRO 16 -3.252 1.917 9.433
92 HD2 PRO 16 HD2 PRO 16 -3.132 -0.677 8.744
93 HD3 PRO 16 HD3 PRO 16 -4.502 -0.005 9.646
94 H THR 17 H THR 17 -6.400 1.057 4.685
95 HA THR 17 HA THR 17 -4.141 0.464 2.984
96 HB THR 17 HB THR 17 -6.039 0.196 1.289
97 HG1 THR 17 HG1 THR 17 -7.962 0.692 1.991
98 HG21 THR 17 HG21 THR 17 -4.906 -1.706 2.374
99 HG22 THR 17 HG22 THR 17 -6.629 -2.031 2.189
100 HG23 THR 17 HG23 THR 17 -5.983 -1.559 3.760
101 H VAL 18 H VAL 18 -5.618 3.221 4.037
102 HA VAL 18 HA VAL 18 -5.506 4.561 1.473
103 HB VAL 18 HB VAL 18 -7.438 5.056 2.909
104 HG11 VAL 18 HG11 VAL 18 -5.480 6.231 4.863
105 HG12 VAL 18 HG12 VAL 18 -6.473 4.794 5.103
106 HG13 VAL 18 HG13 VAL 18 -7.234 6.378 4.964
107 HG21 VAL 18 HG21 VAL 18 -7.371 7.520 2.823
108 HG22 VAL 18 HG22 VAL 18 -6.756 6.777 1.346
109 HG23 VAL 18 HG23 VAL 18 -5.633 7.443 2.531
110 H CYS 19 H CYS 19 -3.872 5.758 0.773
111 HA CYS 19 HA CYS 19 -1.540 6.071 2.465
112 HB2 CYS 19 HB2 CYS 19 -1.989 6.775 -0.446
113 HB3 CYS 19 HB3 CYS 19 -0.462 6.915 0.409
114 H ALA 20 H ALA 20 -0.548 8.039 2.810
115 HA ALA 20 HA ALA 20 -2.169 10.248 3.374
116 HB1 ALA 20 HB1 ALA 20 -0.064 11.456 3.738
117 HB2 ALA 20 HB2 ALA 20 0.821 10.150 2.950
118 HB3 ALA 20 HB3 ALA 20 -0.010 9.853 4.476
119 H SER 21 H SER 21 -2.486 12.185 2.267
120 HA SER 21 HA SER 21 -2.632 11.967 -0.492
121 HB2 SER 21 HB2 SER 21 -3.095 14.536 -0.117
122 HB3 SER 21 HB3 SER 21 -4.250 13.317 0.436
123 HG SER 21 HG SER 21 -3.976 14.349 2.245
124 H GLY 22 H GLY 22 -1.288 12.495 -2.055
125 HA2 GLY 22 HA2 GLY 22 0.526 13.836 -2.924
126 HA3 GLY 22 HA3 GLY 22 1.249 13.798 -1.317
127 H THR 23 H THR 23 0.028 10.851 -1.538
128 HA THR 23 HA THR 23 2.067 9.688 -3.263
129 HB THR 23 HB THR 23 2.408 7.839 -1.616
130 HG1 THR 23 HG1 THR 23 0.558 9.299 -0.165
131 HG21 THR 23 HG21 THR 23 3.193 10.569 -0.580
132 HG22 THR 23 HG22 THR 23 4.097 9.583 -1.732
133 HG23 THR 23 HG23 THR 23 3.907 9.043 -0.062
134 H THR 24 H THR 24 1.380 7.752 -4.243
135 HA THR 24 HA THR 24 -1.490 7.248 -3.883
136 HB THR 24 HB THR 24 -1.458 6.401 -6.252
137 HG1 THR 24 HG1 THR 24 1.250 6.949 -5.961
138 HG21 THR 24 HG21 THR 24 -0.548 9.261 -5.902
139 HG22 THR 24 HG22 THR 24 -2.203 8.681 -5.753
140 HG23 THR 24 HG23 THR 24 -1.382 8.609 -7.315
141 H CYS 25 H CYS 25 -2.204 5.071 -3.794
142 HA CYS 25 HA CYS 25 -0.188 3.283 -2.777
143 HB2 CYS 25 HB2 CYS 25 -2.374 3.326 -1.687
144 HB3 CYS 25 HB3 CYS 25 -3.156 2.881 -3.198
145 H GLN 26 H GLN 26 1.131 2.584 -4.336
146 HA GLN 26 HA GLN 26 -0.069 1.711 -6.810
147 HB2 GLN 26 HB2 GLN 26 2.824 2.106 -6.084
148 HB3 GLN 26 HB3 GLN 26 2.254 1.561 -7.656
149 HG2 GLN 26 HG2 GLN 26 0.946 3.692 -7.813
150 HG3 GLN 26 HG3 GLN 26 1.769 4.228 -6.353
151 HE21 GLN 26 HE21 GLN 26 2.802 5.916 -7.320
152 HE22 GLN 26 HE22 GLN 26 4.050 5.730 -8.482
153 H VAL 27 H VAL 27 -0.641 -0.209 -6.990
154 HA VAL 27 HA VAL 27 0.278 -2.331 -5.296
155 HB VAL 27 HB VAL 27 -1.458 -2.472 -7.781
156 HG11 VAL 27 HG11 VAL 27 -0.541 -4.642 -7.154
157 HG12 VAL 27 HG12 VAL 27 -2.278 -4.591 -6.848
158 HG13 VAL 27 HG13 VAL 27 -1.141 -4.430 -5.508
159 HG21 VAL 27 HG21 VAL 27 -2.415 -0.966 -6.109
160 HG22 VAL 27 HG22 VAL 27 -2.306 -2.245 -4.894
161 HG23 VAL 27 HG23 VAL 27 -3.373 -2.435 -6.287
162 H LEU 28 H LEU 28 2.389 -2.658 -5.675
163 HA LEU 28 HA LEU 28 3.463 -2.838 -8.337
164 HB2 LEU 28 HB2 LEU 28 4.713 -3.548 -5.670
165 HB3 LEU 28 HB3 LEU 28 5.579 -3.417 -7.184
166 HG LEU 28 HG LEU 28 4.237 -1.147 -5.711
167 HD11 LEU 28 HD11 LEU 28 6.508 -0.354 -5.328
168 HD12 LEU 28 HD12 LEU 28 7.148 -1.806 -6.100
169 HD13 LEU 28 HD13 LEU 28 6.239 -1.934 -4.595
170 HD21 LEU 28 HD21 LEU 28 5.893 -1.127 -8.238
171 HD22 LEU 28 HD22 LEU 28 5.334 0.299 -7.369
172 HD23 LEU 28 HD23 LEU 28 4.166 -0.785 -8.121
173 H ASN 29 H ASN 29 3.594 -5.090 -5.658
174 HA ASN 29 HA ASN 29 3.244 -7.338 -7.495
175 HB2 ASN 29 HB2 ASN 29 3.956 -7.289 -4.542
176 HB3 ASN 29 HB3 ASN 29 3.892 -8.720 -5.558
177 HD21 ASN 29 HD21 ASN 29 6.069 -7.681 -3.999
178 HD22 ASN 29 HD22 ASN 29 7.382 -7.363 -5.067
179 HA PRO 30 HA PRO 30 -0.970 -7.864 -6.074
180 HB2 PRO 30 HB2 PRO 30 -0.427 -10.644 -5.169
181 HB3 PRO 30 HB3 PRO 30 -1.610 -10.063 -6.347
182 HG2 PRO 30 HG2 PRO 30 0.579 -11.359 -7.141
183 HG3 PRO 30 HG3 PRO 30 -0.056 -9.985 -8.066
184 HD2 PRO 30 HD2 PRO 30 2.255 -10.088 -6.172
185 HD3 PRO 30 HD3 PRO 30 2.124 -9.249 -7.732
186 H TYR 31 H TYR 31 1.514 -9.170 -3.910
187 HA TYR 31 HA TYR 31 -0.226 -8.686 -1.605
188 HB2 TYR 31 HB2 TYR 31 2.499 -9.990 -1.721
189 HB3 TYR 31 HB3 TYR 31 1.466 -9.882 -0.305
190 HD1 TYR 31 HD1 TYR 31 -0.340 -11.409 0.009
191 HD2 TYR 31 HD2 TYR 31 1.858 -11.443 -3.615
192 HE1 TYR 31 HE1 TYR 31 -1.381 -13.537 -0.597
193 HE2 TYR 31 HE2 TYR 31 0.815 -13.572 -4.237
194 HH TYR 31 HH TYR 31 -1.879 -14.779 -2.684
195 H TYR 32 H TYR 32 2.640 -7.427 -3.172
196 HA TYR 32 HA TYR 32 2.904 -5.600 -0.924
197 HB2 TYR 32 HB2 TYR 32 4.970 -6.832 -1.495
198 HB3 TYR 32 HB3 TYR 32 4.943 -6.097 -3.096
199 HD1 TYR 32 HD1 TYR 32 6.016 -4.047 -3.439
200 HD2 TYR 32 HD2 TYR 32 4.990 -5.232 0.510
201 HE1 TYR 32 HE1 TYR 32 7.200 -2.086 -2.542
202 HE2 TYR 32 HE2 TYR 32 6.178 -3.279 1.413
203 HH TYR 32 HH TYR 32 8.003 -1.772 0.694
204 H SER 33 H SER 33 1.918 -3.771 -1.121
205 HA SER 33 HA SER 33 2.049 -2.331 -3.675
206 HB2 SER 33 HB2 SER 33 -0.206 -2.242 -1.643
207 HB3 SER 33 HB3 SER 33 -0.170 -1.427 -3.205
208 HG SER 33 HG SER 33 -1.360 -3.505 -3.007
209 H GLN 34 H GLN 34 2.716 -0.179 -3.399
210 HA GLN 34 HA GLN 34 3.361 0.564 -0.631
211 HB2 GLN 34 HB2 GLN 34 5.388 -0.268 -1.661
212 HB3 GLN 34 HB3 GLN 34 5.148 0.773 -3.055
213 HG2 GLN 34 HG2 GLN 34 5.417 2.741 -1.596
214 HG3 GLN 34 HG3 GLN 34 5.717 1.664 -0.243
215 HE21 GLN 34 HE21 GLN 34 7.350 -0.201 -1.668
216 HE22 GLN 34 HE22 GLN 34 8.820 0.580 -2.053
217 H CYS 35 H CYS 35 3.024 2.677 -0.110
218 HA CYS 35 HA CYS 35 1.640 4.354 -1.965
219 HB2 CYS 35 HB2 CYS 35 2.893 5.137 0.680
220 HB3 CYS 35 HB3 CYS 35 1.705 6.066 -0.224
221 H LEU 36 H LEU 36 2.587 5.183 -3.574
222 HA LEU 36 HA LEU 36 5.200 6.440 -3.322
223 HB2 LEU 36 HB2 LEU 36 4.048 4.835 -5.608
224 HB3 LEU 36 HB3 LEU 36 5.473 5.841 -5.750
225 HG LEU 36 HG LEU 36 5.297 3.511 -3.840
226 HD11 LEU 36 HD11 LEU 36 6.492 3.621 -6.603
227 HD12 LEU 36 HD12 LEU 36 5.032 2.736 -6.152
228 HD13 LEU 36 HD13 LEU 36 6.592 2.263 -5.479
229 HD21 LEU 36 HD21 LEU 36 7.605 5.111 -4.934
230 HD22 LEU 36 HD22 LEU 36 7.726 3.718 -3.857
231 HD23 LEU 36 HD23 LEU 36 6.960 5.201 -3.293
232 H1 MAN 101 H1 MAN 101 3.444 8.559 7.455
233 H2 MAN 101 H2 MAN 101 0.962 10.105 6.673
234 H3 MAN 101 H3 MAN 101 2.092 11.964 7.419
235 H4 MAN 101 H4 MAN 101 3.702 10.062 9.157
236 H5 MAN 101 H5 MAN 101 4.694 11.895 6.897
237 H61 MAN 101 H61 MAN 101 5.600 9.191 7.997
238 H62 MAN 101 H62 MAN 101 6.423 10.748 8.257
239 HO2 MAN 101 HO2 MAN 101 0.887 8.174 7.858
240 HO3 MAN 101 HO3 MAN 101 1.435 10.570 9.822
241 HO4 MAN 101 HO4 MAN 101 4.873 11.951 9.667
242 HO6 MAN 101 HO6 MAN 101 6.933 10.856 6.092
Start of MODEL 9
1 H1 THR 1 H1 THR 1 -3.899 8.137 8.449
2 H2 THR 1 H2 THR 1 -2.252 8.457 8.262
3 H3 THR 1 H3 THR 1 -2.737 7.032 9.020
4 HA THR 1 HA THR 1 -3.719 6.310 6.924
5 HB THR 1 HB THR 1 -2.896 7.638 4.910
6 HG1 THR 1 HG1 THR 1 -2.811 10.040 6.107
7 HG21 THR 1 HG21 THR 1 -4.859 9.016 6.747
8 HG22 THR 1 HG22 THR 1 -5.247 7.697 5.648
9 HG23 THR 1 HG23 THR 1 -4.738 9.252 5.007
10 H GLN 2 H GLN 2 -2.195 5.569 5.029
11 HA GLN 2 HA GLN 2 0.239 4.649 6.282
12 HB2 GLN 2 HB2 GLN 2 -1.320 3.156 4.942
13 HB3 GLN 2 HB3 GLN 2 -0.841 4.059 3.513
14 HG2 GLN 2 HG2 GLN 2 0.374 1.930 3.735
15 HG3 GLN 2 HG3 GLN 2 1.453 3.321 3.775
16 HE21 GLN 2 HE21 GLN 2 -0.050 0.839 5.652
17 HE22 GLN 2 HE22 GLN 2 0.972 0.957 7.028
18 H SER 3 H SER 3 2.304 5.039 5.306
19 HA SER 3 HA SER 3 2.278 7.579 3.850
20 HB2 SER 3 HB2 SER 3 2.960 7.760 6.186
21 HB3 SER 3 HB3 SER 3 4.232 6.572 5.890
22 H HIS 4 H HIS 4 4.698 7.931 2.998
23 HA HIS 4 HA HIS 4 4.960 6.266 0.754
24 HB2 HIS 4 HB2 HIS 4 5.831 8.579 0.841
25 HB3 HIS 4 HB3 HIS 4 7.038 8.064 2.012
26 HD1 HIS 4 HD1 HIS 4 9.198 6.989 1.087
27 HD2 HIS 4 HD2 HIS 4 6.278 7.641 -1.802
28 HE1 HIS 4 HE1 HIS 4 10.283 6.472 -1.096
29 HE2 HIS 4 HE2 HIS 4 8.597 7.187 -2.812
30 H ALA 5 H ALA 5 6.102 4.504 0.349
31 HA ALA 5 HA ALA 5 7.489 2.755 0.483
32 HB1 ALA 5 HB1 ALA 5 9.274 4.226 1.337
33 HB2 ALA 5 HB2 ALA 5 9.350 2.620 2.072
34 HB3 ALA 5 HB3 ALA 5 8.685 3.976 2.980
35 H GLY 6 H GLY 6 5.119 3.479 2.590
36 HA2 GLY 6 HA2 GLY 6 5.336 1.060 4.162
37 HA3 GLY 6 HA3 GLY 6 4.083 2.292 4.271
38 H GLN 7 H GLN 7 4.115 -0.720 3.871
39 HA GLN 7 HA GLN 7 2.891 -1.175 1.361
40 HB2 GLN 7 HB2 GLN 7 3.922 -2.992 2.684
41 HB3 GLN 7 HB3 GLN 7 2.701 -2.776 3.928
42 HG2 GLN 7 HG2 GLN 7 0.979 -3.528 2.444
43 HG3 GLN 7 HG3 GLN 7 2.095 -3.623 1.087
44 HE21 GLN 7 HE21 GLN 7 0.484 -5.761 2.196
45 HE22 GLN 7 HE22 GLN 7 1.591 -6.963 2.738
46 H CYS 8 H CYS 8 1.063 -0.355 0.780
47 HA CYS 8 HA CYS 8 -0.783 0.667 2.756
48 HB2 CYS 8 HB2 CYS 8 -1.970 1.584 0.755
49 HB3 CYS 8 HB3 CYS 8 -0.313 2.147 0.969
50 H GLY 9 H GLY 9 -0.830 -1.849 0.269
51 HA2 GLY 9 HA2 GLY 9 -2.807 -3.276 1.647
52 HA3 GLY 9 HA3 GLY 9 -3.607 -2.231 0.489
53 H GLY 10 H GLY 10 -1.643 -4.973 0.948
54 HA2 GLY 10 HA2 GLY 10 -2.013 -5.657 -1.882
55 HA3 GLY 10 HA3 GLY 10 -0.710 -6.301 -0.866
56 H ILE 11 H ILE 11 -2.197 -8.185 -2.006
57 HA ILE 11 HA ILE 11 -4.539 -8.918 -0.641
58 HB ILE 11 HB ILE 11 -2.493 -10.764 -1.932
59 HG12 ILE 11 HG12 ILE 11 -4.993 -9.514 -3.111
60 HG13 ILE 11 HG13 ILE 11 -3.343 -9.022 -3.473
61 HG21 ILE 11 HG21 ILE 11 -4.370 -12.342 -2.152
62 HG22 ILE 11 HG22 ILE 11 -5.409 -11.222 -1.271
63 HG23 ILE 11 HG23 ILE 11 -4.029 -11.965 -0.462
64 HD11 ILE 11 HD11 ILE 11 -4.577 -11.702 -4.088
65 HD12 ILE 11 HD12 ILE 11 -2.917 -11.237 -4.443
66 HD13 ILE 11 HD13 ILE 11 -4.257 -10.412 -5.248
67 H GLY 12 H GLY 12 -4.705 -9.219 1.498
68 HA2 GLY 12 HA2 GLY 12 -4.265 -10.837 3.258
69 HA3 GLY 12 HA3 GLY 12 -2.566 -10.731 2.828
70 H TYR 13 H TYR 13 -3.112 -7.733 2.441
71 HA TYR 13 HA TYR 13 -2.234 -7.090 5.120
72 HB2 TYR 13 HB2 TYR 13 -1.115 -6.117 3.122
73 HB3 TYR 13 HB3 TYR 13 -2.600 -5.248 2.750
74 HD1 TYR 13 HD1 TYR 13 0.061 -5.613 5.300
75 HD2 TYR 13 HD2 TYR 13 -3.052 -3.164 3.769
76 HE1 TYR 13 HE1 TYR 13 0.791 -3.780 6.757
77 HE2 TYR 13 HE2 TYR 13 -2.329 -1.327 5.217
78 HH TYR 13 HH TYR 13 0.635 -1.372 6.814
79 H SER 14 H SER 14 -3.536 -6.511 6.703
80 HA SER 14 HA SER 14 -6.297 -5.813 6.098
81 HB2 SER 14 HB2 SER 14 -6.479 -6.427 8.548
82 HB3 SER 14 HB3 SER 14 -6.051 -7.729 7.425
83 HG SER 14 HG SER 14 -4.573 -7.924 8.979
84 H GLY 15 H GLY 15 -3.635 -4.035 6.535
85 HA2 GLY 15 HA2 GLY 15 -4.497 -2.402 8.795
86 HA3 GLY 15 HA3 GLY 15 -2.990 -2.235 7.908
87 HA PRO 16 HA PRO 16 -5.699 1.279 6.629
88 HB2 PRO 16 HB2 PRO 16 -3.725 3.145 6.550
89 HB3 PRO 16 HB3 PRO 16 -4.582 2.729 8.041
90 HG2 PRO 16 HG2 PRO 16 -1.899 1.818 7.083
91 HG3 PRO 16 HG3 PRO 16 -2.401 2.299 8.711
92 HD2 PRO 16 HD2 PRO 16 -2.152 -0.290 7.933
93 HD3 PRO 16 HD3 PRO 16 -3.312 0.235 9.172
94 H THR 17 H THR 17 -6.176 1.016 4.550
95 HA THR 17 HA THR 17 -4.105 0.512 2.618
96 HB THR 17 HB THR 17 -6.142 0.204 1.092
97 HG1 THR 17 HG1 THR 17 -7.824 -0.327 3.090
98 HG21 THR 17 HG21 THR 17 -4.936 -1.687 2.105
99 HG22 THR 17 HG22 THR 17 -6.672 -2.004 2.070
100 HG23 THR 17 HG23 THR 17 -5.897 -1.514 3.574
101 H VAL 18 H VAL 18 -5.427 3.182 3.887
102 HA VAL 18 HA VAL 18 -5.413 4.692 1.395
103 HB VAL 18 HB VAL 18 -7.416 5.096 2.671
104 HG11 VAL 18 HG11 VAL 18 -5.643 5.803 5.002
105 HG12 VAL 18 HG12 VAL 18 -6.739 4.436 4.883
106 HG13 VAL 18 HG13 VAL 18 -7.385 6.075 4.947
107 HG21 VAL 18 HG21 VAL 18 -7.321 7.537 3.012
108 HG22 VAL 18 HG22 VAL 18 -6.517 7.046 1.521
109 HG23 VAL 18 HG23 VAL 18 -5.560 7.457 2.942
110 H CYS 19 H CYS 19 -3.718 5.767 0.830
111 HA CYS 19 HA CYS 19 -1.499 6.149 2.631
112 HB2 CYS 19 HB2 CYS 19 -1.805 6.883 -0.297
113 HB3 CYS 19 HB3 CYS 19 -0.315 6.898 0.634
114 H ALA 20 H ALA 20 -0.433 8.239 2.732
115 HA ALA 20 HA ALA 20 -2.101 10.411 3.355
116 HB1 ALA 20 HB1 ALA 20 0.855 10.348 2.737
117 HB2 ALA 20 HB2 ALA 20 0.125 10.112 4.324
118 HB3 ALA 20 HB3 ALA 20 0.000 11.677 3.519
119 H SER 21 H SER 21 -2.541 12.333 2.142
120 HA SER 21 HA SER 21 -2.732 12.049 -0.626
121 HB2 SER 21 HB2 SER 21 -2.813 14.589 1.027
122 HB3 SER 21 HB3 SER 21 -3.393 14.424 -0.630
123 HG SER 21 HG SER 21 -4.757 12.668 0.287
124 H GLY 22 H GLY 22 -1.396 12.592 -2.266
125 HA2 GLY 22 HA2 GLY 22 0.510 13.822 -3.126
126 HA3 GLY 22 HA3 GLY 22 1.227 13.711 -1.522
127 H THR 23 H THR 23 -0.019 10.871 -1.539
128 HA THR 23 HA THR 23 1.934 9.612 -3.321
129 HB THR 23 HB THR 23 2.192 7.760 -1.650
130 HG1 THR 23 HG1 THR 23 0.434 9.387 -0.156
131 HG21 THR 23 HG21 THR 23 3.661 8.944 -0.070
132 HG22 THR 23 HG22 THR 23 2.963 10.480 -0.585
133 HG23 THR 23 HG23 THR 23 3.894 9.508 -1.726
134 H THR 24 H THR 24 1.226 7.491 -4.121
135 HA THR 24 HA THR 24 -1.657 7.109 -3.797
136 HB THR 24 HB THR 24 -1.602 6.099 -6.124
137 HG1 THR 24 HG1 THR 24 1.065 6.633 -5.892
138 HG21 THR 24 HG21 THR 24 -0.851 9.018 -5.950
139 HG22 THR 24 HG22 THR 24 -2.477 8.368 -5.759
140 HG23 THR 24 HG23 THR 24 -1.654 8.248 -7.315
141 H CYS 25 H CYS 25 -2.366 4.983 -3.477
142 HA CYS 25 HA CYS 25 -0.374 3.146 -2.557
143 HB2 CYS 25 HB2 CYS 25 -2.622 3.211 -1.504
144 HB3 CYS 25 HB3 CYS 25 -3.354 2.738 -3.032
145 H GLN 26 H GLN 26 0.946 2.429 -4.114
146 HA GLN 26 HA GLN 26 -0.268 1.632 -6.633
147 HB2 GLN 26 HB2 GLN 26 2.662 1.908 -5.962
148 HB3 GLN 26 HB3 GLN 26 1.981 1.620 -7.554
149 HG2 GLN 26 HG2 GLN 26 0.777 3.852 -7.247
150 HG3 GLN 26 HG3 GLN 26 1.872 4.114 -5.893
151 HE21 GLN 26 HE21 GLN 26 2.913 5.841 -6.876
152 HE22 GLN 26 HE22 GLN 26 3.983 5.612 -8.220
153 H VAL 27 H VAL 27 -0.729 -0.360 -6.932
154 HA VAL 27 HA VAL 27 0.226 -2.415 -5.182
155 HB VAL 27 HB VAL 27 -1.390 -2.693 -7.737
156 HG11 VAL 27 HG11 VAL 27 -2.145 -4.825 -6.799
157 HG12 VAL 27 HG12 VAL 27 -1.108 -4.573 -5.400
158 HG13 VAL 27 HG13 VAL 27 -0.392 -4.788 -7.000
159 HG21 VAL 27 HG21 VAL 27 -2.536 -1.206 -6.185
160 HG22 VAL 27 HG22 VAL 27 -2.382 -2.401 -4.901
161 HG23 VAL 27 HG23 VAL 27 -3.390 -2.744 -6.311
162 H LEU 28 H LEU 28 2.334 -2.602 -5.460
163 HA LEU 28 HA LEU 28 3.620 -2.620 -8.015
164 HB2 LEU 28 HB2 LEU 28 4.680 -3.393 -5.289
165 HB3 LEU 28 HB3 LEU 28 5.672 -3.134 -6.701
166 HG LEU 28 HG LEU 28 4.068 -1.051 -5.220
167 HD11 LEU 28 HD11 LEU 28 6.057 -1.738 -4.043
168 HD12 LEU 28 HD12 LEU 28 6.242 -0.103 -4.679
169 HD13 LEU 28 HD13 LEU 28 7.034 -1.454 -5.485
170 HD21 LEU 28 HD21 LEU 28 4.081 -0.534 -7.600
171 HD22 LEU 28 HD22 LEU 28 5.832 -0.744 -7.653
172 HD23 LEU 28 HD23 LEU 28 5.129 0.579 -6.725
173 H ASN 29 H ASN 29 3.680 -5.013 -5.468
174 HA ASN 29 HA ASN 29 3.613 -7.139 -7.469
175 HB2 ASN 29 HB2 ASN 29 4.229 -7.220 -4.487
176 HB3 ASN 29 HB3 ASN 29 4.185 -8.639 -5.521
177 HD21 ASN 29 HD21 ASN 29 6.028 -5.867 -4.531
178 HD22 ASN 29 HD22 ASN 29 7.458 -6.262 -5.381
179 HA PRO 30 HA PRO 30 -0.650 -7.957 -6.481
180 HB2 PRO 30 HB2 PRO 30 -0.070 -10.763 -5.704
181 HB3 PRO 30 HB3 PRO 30 -1.155 -10.151 -6.956
182 HG2 PRO 30 HG2 PRO 30 1.148 -11.297 -7.635
183 HG3 PRO 30 HG3 PRO 30 0.571 -9.854 -8.494
184 HD2 PRO 30 HD2 PRO 30 2.623 -10.082 -6.334
185 HD3 PRO 30 HD3 PRO 30 2.704 -9.146 -7.852
186 H TYR 31 H TYR 31 1.701 -9.169 -4.199
187 HA TYR 31 HA TYR 31 -0.256 -8.888 -2.044
188 HB2 TYR 31 HB2 TYR 31 2.420 -10.283 -2.112
189 HB3 TYR 31 HB3 TYR 31 1.437 -10.112 -0.661
190 HD1 TYR 31 HD1 TYR 31 -0.239 -11.672 -0.188
191 HD2 TYR 31 HD2 TYR 31 1.404 -11.537 -4.105
192 HE1 TYR 31 HE1 TYR 31 -1.467 -13.717 -0.766
193 HE2 TYR 31 HE2 TYR 31 0.189 -13.569 -4.702
194 HH TYR 31 HH TYR 31 -2.284 -14.868 -2.653
195 H TYR 32 H TYR 32 2.681 -7.460 -3.291
196 HA TYR 32 HA TYR 32 2.749 -5.819 -0.873
197 HB2 TYR 32 HB2 TYR 32 4.875 -7.013 -1.514
198 HB3 TYR 32 HB3 TYR 32 4.947 -5.970 -2.934
199 HD1 TYR 32 HD1 TYR 32 5.635 -3.655 -2.735
200 HD2 TYR 32 HD2 TYR 32 5.117 -6.067 0.733
201 HE1 TYR 32 HE1 TYR 32 6.747 -1.939 -1.366
202 HE2 TYR 32 HE2 TYR 32 6.225 -4.353 2.097
203 HH TYR 32 HH TYR 32 7.763 -2.528 1.828
204 H SER 33 H SER 33 1.712 -3.988 -1.037
205 HA SER 33 HA SER 33 1.918 -2.458 -3.534
206 HB2 SER 33 HB2 SER 33 -0.316 -2.367 -1.492
207 HB3 SER 33 HB3 SER 33 -0.288 -1.564 -3.060
208 HG SER 33 HG SER 33 -1.458 -3.649 -2.795
209 H GLN 34 H GLN 34 2.436 -0.241 -3.192
210 HA GLN 34 HA GLN 34 3.172 0.437 -0.442
211 HB2 GLN 34 HB2 GLN 34 5.107 -0.603 -1.428
212 HB3 GLN 34 HB3 GLN 34 4.985 0.411 -2.846
213 HG2 GLN 34 HG2 GLN 34 5.617 2.345 -1.575
214 HG3 GLN 34 HG3 GLN 34 5.604 1.396 -0.082
215 HE21 GLN 34 HE21 GLN 34 7.288 -0.060 0.319
216 HE22 GLN 34 HE22 GLN 34 8.734 -0.020 -0.596
217 H CYS 35 H CYS 35 2.991 2.566 0.036
218 HA CYS 35 HA CYS 35 1.587 4.262 -1.775
219 HB2 CYS 35 HB2 CYS 35 2.910 4.958 0.851
220 HB3 CYS 35 HB3 CYS 35 1.771 5.973 -0.017
221 H LEU 36 H LEU 36 2.493 5.148 -3.426
222 HA LEU 36 HA LEU 36 5.053 6.511 -3.186
223 HB2 LEU 36 HB2 LEU 36 4.164 4.765 -5.495
224 HB3 LEU 36 HB3 LEU 36 5.623 5.721 -5.448
225 HG LEU 36 HG LEU 36 5.069 3.358 -3.645
226 HD11 LEU 36 HD11 LEU 36 6.808 3.583 -6.090
227 HD12 LEU 36 HD12 LEU 36 5.293 2.686 -5.978
228 HD13 LEU 36 HD13 LEU 36 6.694 2.179 -5.028
229 HD21 LEU 36 HD21 LEU 36 7.452 3.517 -3.126
230 HD22 LEU 36 HD22 LEU 36 6.599 4.990 -2.667
231 HD23 LEU 36 HD23 LEU 36 7.579 4.959 -4.134
232 H1 MAN 101 H1 MAN 101 5.460 8.373 6.883
233 H2 MAN 101 H2 MAN 101 3.440 10.506 5.975
234 H3 MAN 101 H3 MAN 101 4.901 12.019 6.814
235 H4 MAN 101 H4 MAN 101 5.917 9.804 8.676
236 H5 MAN 101 H5 MAN 101 7.535 11.253 6.527
237 H61 MAN 101 H61 MAN 101 8.613 9.019 6.314
238 H62 MAN 101 H62 MAN 101 7.533 8.348 7.554
239 HO2 MAN 101 HO2 MAN 101 2.635 10.072 8.048
240 HO3 MAN 101 HO3 MAN 101 4.332 12.374 9.025
241 HO4 MAN 101 HO4 MAN 101 6.043 11.904 9.595
242 HO6 MAN 101 HO6 MAN 101 9.777 9.959 7.837
Start of MODEL 10
1 H1 THR 1 H1 THR 1 -0.716 8.134 9.079
2 H2 THR 1 H2 THR 1 -1.247 6.686 9.699
3 H3 THR 1 H3 THR 1 -2.313 8.026 9.613
4 HA THR 1 HA THR 1 -2.751 6.401 7.848
5 HB THR 1 HB THR 1 -1.515 9.001 6.840
6 HG1 THR 1 HG1 THR 1 -4.189 8.617 7.672
7 HG21 THR 1 HG21 THR 1 -3.299 8.910 5.160
8 HG22 THR 1 HG22 THR 1 -3.910 7.421 5.869
9 HG23 THR 1 HG23 THR 1 -2.329 7.439 5.083
10 H GLN 2 H GLN 2 -1.832 5.460 5.739
11 HA GLN 2 HA GLN 2 0.910 4.730 6.226
12 HB2 GLN 2 HB2 GLN 2 -0.895 3.132 5.316
13 HB3 GLN 2 HB3 GLN 2 -0.768 4.022 3.805
14 HG2 GLN 2 HG2 GLN 2 0.613 2.092 3.598
15 HG3 GLN 2 HG3 GLN 2 1.675 3.487 3.762
16 HE21 GLN 2 HE21 GLN 2 -0.071 1.901 6.367
17 HE22 GLN 2 HE22 GLN 2 1.331 1.302 7.186
18 H SER 3 H SER 3 2.604 5.537 5.087
19 HA SER 3 HA SER 3 1.943 7.588 3.129
20 HB2 SER 3 HB2 SER 3 3.849 7.771 5.460
21 HB3 SER 3 HB3 SER 3 3.746 8.975 4.165
22 H HIS 4 H HIS 4 4.630 8.352 2.625
23 HA HIS 4 HA HIS 4 5.089 6.785 0.413
24 HB2 HIS 4 HB2 HIS 4 5.959 9.042 0.622
25 HB3 HIS 4 HB3 HIS 4 7.096 8.523 1.859
26 HD1 HIS 4 HD1 HIS 4 9.329 7.625 1.050
27 HD2 HIS 4 HD2 HIS 4 6.535 8.003 -2.010
28 HE1 HIS 4 HE1 HIS 4 10.579 7.183 -1.056
29 HE2 HIS 4 HE2 HIS 4 8.963 7.794 -2.857
30 H ALA 5 H ALA 5 5.992 4.992 -0.048
31 HA ALA 5 HA ALA 5 7.291 3.185 -0.128
32 HB1 ALA 5 HB1 ALA 5 9.193 4.658 0.396
33 HB2 ALA 5 HB2 ALA 5 9.408 3.043 1.074
34 HB3 ALA 5 HB3 ALA 5 8.915 4.384 2.113
35 H GLY 6 H GLY 6 5.104 3.706 2.015
36 HA2 GLY 6 HA2 GLY 6 5.632 1.338 3.633
37 HA3 GLY 6 HA3 GLY 6 4.354 2.526 3.894
38 H GLN 7 H GLN 7 3.704 -0.099 3.942
39 HA GLN 7 HA GLN 7 2.802 -0.886 1.298
40 HB2 GLN 7 HB2 GLN 7 3.802 -2.580 2.782
41 HB3 GLN 7 HB3 GLN 7 2.520 -2.293 3.947
42 HG2 GLN 7 HG2 GLN 7 0.873 -3.128 2.426
43 HG3 GLN 7 HG3 GLN 7 2.071 -3.330 1.149
44 HE21 GLN 7 HE21 GLN 7 0.366 -5.362 2.287
45 HE22 GLN 7 HE22 GLN 7 1.403 -6.536 2.984
46 H CYS 8 H CYS 8 0.998 -0.078 0.601
47 HA CYS 8 HA CYS 8 -0.975 0.958 2.443
48 HB2 CYS 8 HB2 CYS 8 -2.179 1.632 0.391
49 HB3 CYS 8 HB3 CYS 8 -0.555 2.298 0.532
50 H GLY 9 H GLY 9 -0.854 -1.703 0.099
51 HA2 GLY 9 HA2 GLY 9 -2.506 -3.329 1.553
52 HA3 GLY 9 HA3 GLY 9 -3.591 -2.281 0.649
53 H GLY 10 H GLY 10 -1.566 -4.960 0.620
54 HA2 GLY 10 HA2 GLY 10 -2.249 -5.434 -2.185
55 HA3 GLY 10 HA3 GLY 10 -0.858 -6.156 -1.363
56 H ILE 11 H ILE 11 -2.081 -8.154 -2.189
57 HA ILE 11 HA ILE 11 -4.481 -8.902 -0.958
58 HB ILE 11 HB ILE 11 -2.269 -10.728 -1.955
59 HG12 ILE 11 HG12 ILE 11 -4.760 -9.754 -3.375
60 HG13 ILE 11 HG13 ILE 11 -3.132 -9.155 -3.665
61 HG21 ILE 11 HG21 ILE 11 -5.195 -11.293 -1.435
62 HG22 ILE 11 HG22 ILE 11 -3.836 -11.887 -0.484
63 HG23 ILE 11 HG23 ILE 11 -4.044 -12.420 -2.156
64 HD11 ILE 11 HD11 ILE 11 -2.453 -11.378 -4.423
65 HD12 ILE 11 HD12 ILE 11 -3.798 -10.745 -5.371
66 HD13 ILE 11 HD13 ILE 11 -4.089 -11.972 -4.136
67 H GLY 12 H GLY 12 -4.892 -9.336 1.095
68 HA2 GLY 12 HA2 GLY 12 -4.597 -10.719 3.006
69 HA3 GLY 12 HA3 GLY 12 -2.876 -10.775 2.664
70 H TYR 13 H TYR 13 -3.586 -7.661 2.238
71 HA TYR 13 HA TYR 13 -2.762 -7.035 4.976
72 HB2 TYR 13 HB2 TYR 13 -1.466 -6.107 3.045
73 HB3 TYR 13 HB3 TYR 13 -2.896 -5.216 2.558
74 HD1 TYR 13 HD1 TYR 13 -3.259 -3.053 3.402
75 HD2 TYR 13 HD2 TYR 13 -0.501 -5.610 5.387
76 HE1 TYR 13 HE1 TYR 13 -2.525 -1.174 4.791
77 HE2 TYR 13 HE2 TYR 13 0.226 -3.729 6.798
78 HH TYR 13 HH TYR 13 -1.496 -0.738 6.806
79 H SER 14 H SER 14 -4.313 -6.600 6.396
80 HA SER 14 HA SER 14 -6.854 -5.564 5.403
81 HB2 SER 14 HB2 SER 14 -7.685 -6.461 7.596
82 HB3 SER 14 HB3 SER 14 -7.091 -7.678 6.460
83 HG SER 14 HG SER 14 -6.081 -6.829 8.897
84 H GLY 15 H GLY 15 -4.119 -4.448 6.774
85 HA2 GLY 15 HA2 GLY 15 -5.156 -2.801 8.879
86 HA3 GLY 15 HA3 GLY 15 -3.545 -2.723 8.179
87 HA PRO 16 HA PRO 16 -5.749 1.174 7.024
88 HB2 PRO 16 HB2 PRO 16 -3.452 2.704 7.016
89 HB3 PRO 16 HB3 PRO 16 -4.497 2.489 8.424
90 HG2 PRO 16 HG2 PRO 16 -1.934 1.117 7.733
91 HG3 PRO 16 HG3 PRO 16 -2.528 1.664 9.312
92 HD2 PRO 16 HD2 PRO 16 -2.606 -0.922 8.546
93 HD3 PRO 16 HD3 PRO 16 -3.837 -0.218 9.607
94 H THR 17 H THR 17 -6.250 0.894 4.962
95 HA THR 17 HA THR 17 -4.200 0.367 2.980
96 HB THR 17 HB THR 17 -6.343 0.047 1.564
97 HG1 THR 17 HG1 THR 17 -8.097 0.526 2.667
98 HG21 THR 17 HG21 THR 17 -4.900 -1.807 2.302
99 HG22 THR 17 HG22 THR 17 -6.600 -2.262 2.414
100 HG23 THR 17 HG23 THR 17 -5.709 -1.815 3.869
101 H VAL 18 H VAL 18 -4.969 3.064 4.235
102 HA VAL 18 HA VAL 18 -5.424 4.438 1.699
103 HB VAL 18 HB VAL 18 -7.257 4.846 3.253
104 HG11 VAL 18 HG11 VAL 18 -5.195 5.928 5.151
105 HG12 VAL 18 HG12 VAL 18 -6.194 4.490 5.377
106 HG13 VAL 18 HG13 VAL 18 -6.938 6.090 5.351
107 HG21 VAL 18 HG21 VAL 18 -6.692 6.660 1.745
108 HG22 VAL 18 HG22 VAL 18 -5.515 7.286 2.900
109 HG23 VAL 18 HG23 VAL 18 -7.234 7.317 3.290
110 H CYS 19 H CYS 19 -3.868 5.623 0.929
111 HA CYS 19 HA CYS 19 -1.460 6.074 2.476
112 HB2 CYS 19 HB2 CYS 19 -2.111 6.760 -0.401
113 HB3 CYS 19 HB3 CYS 19 -0.536 6.909 0.358
114 H ALA 20 H ALA 20 -0.638 8.106 2.845
115 HA ALA 20 HA ALA 20 -2.509 10.171 3.363
116 HB1 ALA 20 HB1 ALA 20 -0.473 9.840 4.665
117 HB2 ALA 20 HB2 ALA 20 -0.586 11.491 4.042
118 HB3 ALA 20 HB3 ALA 20 0.501 10.324 3.278
119 H SER 21 H SER 21 -2.596 12.270 2.413
120 HA SER 21 HA SER 21 -2.788 12.287 -0.323
121 HB2 SER 21 HB2 SER 21 -2.436 14.601 1.571
122 HB3 SER 21 HB3 SER 21 -3.136 14.695 -0.047
123 HG SER 21 HG SER 21 -4.708 13.108 0.738
124 H GLY 22 H GLY 22 -1.413 12.607 -1.912
125 HA2 GLY 22 HA2 GLY 22 0.502 13.760 -2.833
126 HA3 GLY 22 HA3 GLY 22 1.289 13.573 -1.267
127 H THR 23 H THR 23 -0.019 10.784 -1.213
128 HA THR 23 HA THR 23 1.869 9.522 -3.049
129 HB THR 23 HB THR 23 2.122 7.663 -1.421
130 HG1 THR 23 HG1 THR 23 0.328 9.258 0.068
131 HG21 THR 23 HG21 THR 23 2.888 10.378 -0.343
132 HG22 THR 23 HG22 THR 23 3.820 9.400 -1.476
133 HG23 THR 23 HG23 THR 23 3.580 8.844 0.181
134 H THR 24 H THR 24 1.189 7.625 -4.058
135 HA THR 24 HA THR 24 -1.684 7.140 -3.857
136 HB THR 24 HB THR 24 -1.464 6.298 -6.237
137 HG1 THR 24 HG1 THR 24 1.166 7.272 -5.843
138 HG21 THR 24 HG21 THR 24 -2.405 8.514 -5.767
139 HG22 THR 24 HG22 THR 24 -1.453 8.544 -7.252
140 HG23 THR 24 HG23 THR 24 -0.784 9.207 -5.762
141 H CYS 25 H CYS 25 -2.379 5.004 -3.797
142 HA CYS 25 HA CYS 25 -0.463 3.112 -2.803
143 HB2 CYS 25 HB2 CYS 25 -2.742 3.224 -1.837
144 HB3 CYS 25 HB3 CYS 25 -3.426 2.798 -3.401
145 H GLN 26 H GLN 26 0.841 2.221 -4.244
146 HA GLN 26 HA GLN 26 -0.279 1.439 -6.830
147 HB2 GLN 26 HB2 GLN 26 2.553 2.101 -6.048
148 HB3 GLN 26 HB3 GLN 26 2.062 1.520 -7.636
149 HG2 GLN 26 HG2 GLN 26 0.641 3.485 -7.905
150 HG3 GLN 26 HG3 GLN 26 1.160 4.074 -6.326
151 HE21 GLN 26 HE21 GLN 26 1.989 5.924 -7.174
152 HE22 GLN 26 HE22 GLN 26 3.432 5.967 -8.111
153 H VAL 27 H VAL 27 -0.243 -0.622 -7.368
154 HA VAL 27 HA VAL 27 0.619 -2.490 -5.326
155 HB VAL 27 HB VAL 27 -0.834 -3.051 -7.925
156 HG11 VAL 27 HG11 VAL 27 0.273 -5.014 -7.053
157 HG12 VAL 27 HG12 VAL 27 -1.471 -5.161 -6.814
158 HG13 VAL 27 HG13 VAL 27 -0.428 -4.734 -5.460
159 HG21 VAL 27 HG21 VAL 27 -2.129 -1.566 -6.487
160 HG22 VAL 27 HG22 VAL 27 -1.963 -2.703 -5.149
161 HG23 VAL 27 HG23 VAL 27 -2.868 -3.162 -6.592
162 H LEU 28 H LEU 28 2.605 -3.244 -5.402
163 HA LEU 28 HA LEU 28 4.032 -3.267 -7.945
164 HB2 LEU 28 HB2 LEU 28 5.034 -3.801 -5.137
165 HB3 LEU 28 HB3 LEU 28 6.035 -3.715 -6.569
166 HG LEU 28 HG LEU 28 4.496 -1.424 -5.346
167 HD11 LEU 28 HD11 LEU 28 6.697 -0.526 -4.819
168 HD12 LEU 28 HD12 LEU 28 7.451 -1.983 -5.467
169 HD13 LEU 28 HD13 LEU 28 6.430 -2.080 -4.032
170 HD21 LEU 28 HD21 LEU 28 4.616 -1.192 -7.775
171 HD22 LEU 28 HD22 LEU 28 6.360 -1.459 -7.726
172 HD23 LEU 28 HD23 LEU 28 5.668 -0.020 -6.982
173 H ASN 29 H ASN 29 4.010 -5.417 -5.164
174 HA ASN 29 HA ASN 29 3.963 -7.725 -6.963
175 HB2 ASN 29 HB2 ASN 29 4.326 -7.589 -3.937
176 HB3 ASN 29 HB3 ASN 29 4.371 -9.054 -4.905
177 HD21 ASN 29 HD21 ASN 29 6.408 -7.955 -3.163
178 HD22 ASN 29 HD22 ASN 29 7.783 -7.683 -4.168
179 HA PRO 30 HA PRO 30 -0.341 -8.448 -6.250
180 HB2 PRO 30 HB2 PRO 30 0.265 -11.140 -5.100
181 HB3 PRO 30 HB3 PRO 30 -0.829 -10.712 -6.422
182 HG2 PRO 30 HG2 PRO 30 1.499 -11.838 -6.973
183 HG3 PRO 30 HG3 PRO 30 0.912 -10.488 -7.961
184 HD2 PRO 30 HD2 PRO 30 2.951 -10.480 -5.771
185 HD3 PRO 30 HD3 PRO 30 3.020 -9.659 -7.342
186 H TYR 31 H TYR 31 1.769 -9.473 -3.645
187 HA TYR 31 HA TYR 31 -0.328 -8.934 -1.683
188 HB2 TYR 31 HB2 TYR 31 2.412 -10.157 -1.324
189 HB3 TYR 31 HB3 TYR 31 1.209 -9.968 -0.054
190 HD1 TYR 31 HD1 TYR 31 -0.794 -11.368 -0.038
191 HD2 TYR 31 HD2 TYR 31 2.187 -11.893 -3.007
192 HE1 TYR 31 HE1 TYR 31 -1.765 -13.543 -0.612
193 HE2 TYR 31 HE2 TYR 31 1.224 -14.075 -3.599
194 HH TYR 31 HH TYR 31 -1.822 -15.029 -2.656
195 H TYR 32 H TYR 32 2.623 -7.512 -2.911
196 HA TYR 32 HA TYR 32 2.567 -5.660 -0.653
197 HB2 TYR 32 HB2 TYR 32 4.735 -6.796 -0.936
198 HB3 TYR 32 HB3 TYR 32 4.897 -6.097 -2.544
199 HD1 TYR 32 HD1 TYR 32 4.783 -5.340 1.060
200 HD2 TYR 32 HD2 TYR 32 5.610 -3.814 -2.822
201 HE1 TYR 32 HE1 TYR 32 5.783 -3.333 2.066
202 HE2 TYR 32 HE2 TYR 32 6.616 -1.808 -1.820
203 HH TYR 32 HH TYR 32 7.415 -1.566 1.437
204 H SER 33 H SER 33 1.539 -3.877 -1.001
205 HA SER 33 HA SER 33 1.890 -2.501 -3.570
206 HB2 SER 33 HB2 SER 33 -0.422 -2.288 -1.627
207 HB3 SER 33 HB3 SER 33 -0.317 -1.506 -3.200
208 HG SER 33 HG SER 33 -1.551 -3.522 -3.016
209 H GLN 34 H GLN 34 2.328 -0.234 -3.364
210 HA GLN 34 HA GLN 34 3.246 0.515 -0.677
211 HB2 GLN 34 HB2 GLN 34 5.084 -0.434 -1.940
212 HB3 GLN 34 HB3 GLN 34 4.787 0.686 -3.255
213 HG2 GLN 34 HG2 GLN 34 5.450 2.537 -1.882
214 HG3 GLN 34 HG3 GLN 34 5.612 1.478 -0.479
215 HE21 GLN 34 HE21 GLN 34 7.320 0.031 -0.395
216 HE22 GLN 34 HE22 GLN 34 8.716 0.228 -1.381
217 H CYS 35 H CYS 35 3.097 2.652 -0.174
218 HA CYS 35 HA CYS 35 1.531 4.350 -1.908
219 HB2 CYS 35 HB2 CYS 35 2.796 4.956 0.777
220 HB3 CYS 35 HB3 CYS 35 1.670 6.000 -0.073
221 H LEU 36 H LEU 36 2.458 5.318 -3.513
222 HA LEU 36 HA LEU 36 5.058 6.571 -3.114
223 HB2 LEU 36 HB2 LEU 36 4.007 5.200 -5.589
224 HB3 LEU 36 HB3 LEU 36 5.434 6.213 -5.577
225 HG LEU 36 HG LEU 36 5.139 3.660 -3.986
226 HD11 LEU 36 HD11 LEU 36 6.692 2.707 -5.609
227 HD12 LEU 36 HD12 LEU 36 6.649 4.206 -6.536
228 HD13 LEU 36 HD13 LEU 36 5.195 3.223 -6.387
229 HD21 LEU 36 HD21 LEU 36 7.552 3.905 -3.654
230 HD22 LEU 36 HD22 LEU 36 6.661 5.252 -2.955
231 HD23 LEU 36 HD23 LEU 36 7.511 5.456 -4.493
232 H1 MAN 101 H1 MAN 101 2.958 9.270 7.175
233 H2 MAN 101 H2 MAN 101 0.481 10.762 6.117
234 H3 MAN 101 H3 MAN 101 1.427 12.646 6.929
235 H4 MAN 101 H4 MAN 101 3.079 10.828 8.701
236 H5 MAN 101 H5 MAN 101 3.978 12.636 6.370
237 H61 MAN 101 H61 MAN 101 5.803 10.983 6.195
238 H62 MAN 101 H62 MAN 101 5.208 10.122 7.626
239 HO2 MAN 101 HO2 MAN 101 -0.124 10.326 8.261
240 HO3 MAN 101 HO3 MAN 101 1.024 12.755 9.212
241 HO4 MAN 101 HO4 MAN 101 4.145 12.754 9.190
242 HO6 MAN 101 HO6 MAN 101 6.666 12.466 7.418
Start of MODEL 11
1 H1 THR 1 H1 THR 1 -3.129 7.323 9.227
2 H2 THR 1 H2 THR 1 -1.417 7.285 9.197
3 H3 THR 1 H3 THR 1 -2.290 5.843 9.221
4 HA THR 1 HA THR 1 -3.211 6.325 7.088
5 HB THR 1 HB THR 1 -1.384 8.721 7.120
6 HG1 THR 1 HG1 THR 1 -3.065 9.923 7.804
7 HG21 THR 1 HG21 THR 1 -3.760 7.969 5.414
8 HG22 THR 1 HG22 THR 1 -2.070 7.878 4.920
9 HG23 THR 1 HG23 THR 1 -2.811 9.444 5.252
10 H GLN 2 H GLN 2 -1.974 5.487 5.239
11 HA GLN 2 HA GLN 2 0.531 4.414 6.125
12 HB2 GLN 2 HB2 GLN 2 -1.304 3.144 4.851
13 HB3 GLN 2 HB3 GLN 2 -0.720 3.993 3.424
14 HG2 GLN 2 HG2 GLN 2 0.285 1.795 3.588
15 HG3 GLN 2 HG3 GLN 2 1.504 3.057 3.779
16 HE21 GLN 2 HE21 GLN 2 2.874 1.752 4.888
17 HE22 GLN 2 HE22 GLN 2 2.599 1.228 6.516
18 H SER 3 H SER 3 2.360 5.327 5.749
19 HA SER 3 HA SER 3 2.572 7.782 4.302
20 HB2 SER 3 HB2 SER 3 4.887 7.679 5.208
21 HB3 SER 3 HB3 SER 3 3.626 7.492 6.442
22 H HIS 4 H HIS 4 4.459 8.160 2.838
23 HA HIS 4 HA HIS 4 4.548 6.567 0.558
24 HB2 HIS 4 HB2 HIS 4 5.312 8.964 0.678
25 HB3 HIS 4 HB3 HIS 4 6.699 8.433 1.606
26 HD1 HIS 4 HD1 HIS 4 8.745 7.950 0.290
27 HD2 HIS 4 HD2 HIS 4 5.325 7.868 -2.054
28 HE1 HIS 4 HE1 HIS 4 9.547 7.609 -2.057
29 HE2 HIS 4 HE2 HIS 4 7.495 7.934 -3.447
30 H ALA 5 H ALA 5 5.778 4.869 -0.069
31 HA ALA 5 HA ALA 5 7.193 3.136 -0.056
32 HB1 ALA 5 HB1 ALA 5 9.003 4.766 0.413
33 HB2 ALA 5 HB2 ALA 5 9.312 3.203 1.163
34 HB3 ALA 5 HB3 ALA 5 8.734 4.550 2.141
35 H GLY 6 H GLY 6 4.930 3.583 1.966
36 HA2 GLY 6 HA2 GLY 6 5.547 1.274 3.662
37 HA3 GLY 6 HA3 GLY 6 4.252 2.443 3.938
38 H GLN 7 H GLN 7 3.775 -0.332 3.907
39 HA GLN 7 HA GLN 7 2.830 -1.057 1.293
40 HB2 GLN 7 HB2 GLN 7 3.796 -2.744 2.834
41 HB3 GLN 7 HB3 GLN 7 2.484 -2.442 3.952
42 HG2 GLN 7 HG2 GLN 7 0.872 -3.295 2.366
43 HG3 GLN 7 HG3 GLN 7 2.143 -3.517 1.163
44 HE21 GLN 7 HE21 GLN 7 0.351 -5.486 2.357
45 HE22 GLN 7 HE22 GLN 7 1.386 -6.651 3.098
46 H CYS 8 H CYS 8 1.056 -0.182 0.560
47 HA CYS 8 HA CYS 8 -0.978 0.861 2.358
48 HB2 CYS 8 HB2 CYS 8 -2.040 1.663 0.301
49 HB3 CYS 8 HB3 CYS 8 -0.372 2.202 0.466
50 H GLY 9 H GLY 9 -0.509 -2.032 0.650
51 HA2 GLY 9 HA2 GLY 9 -2.199 -3.597 1.760
52 HA3 GLY 9 HA3 GLY 9 -3.370 -2.524 1.010
53 H GLY 10 H GLY 10 -1.298 -5.165 0.650
54 HA2 GLY 10 HA2 GLY 10 -2.286 -5.525 -2.072
55 HA3 GLY 10 HA3 GLY 10 -0.803 -6.258 -1.439
56 H ILE 11 H ILE 11 -2.113 -8.261 -2.193
57 HA ILE 11 HA ILE 11 -4.408 -9.101 -0.820
58 HB ILE 11 HB ILE 11 -2.184 -10.799 -2.013
59 HG12 ILE 11 HG12 ILE 11 -4.830 -9.945 -3.213
60 HG13 ILE 11 HG13 ILE 11 -3.270 -9.240 -3.614
61 HG21 ILE 11 HG21 ILE 11 -5.004 -11.568 -1.282
62 HG22 ILE 11 HG22 ILE 11 -3.534 -12.104 -0.467
63 HG23 ILE 11 HG23 ILE 11 -3.848 -12.595 -2.132
64 HD11 ILE 11 HD11 ILE 11 -4.099 -12.096 -4.099
65 HD12 ILE 11 HD12 ILE 11 -2.528 -11.398 -4.490
66 HD13 ILE 11 HD13 ILE 11 -3.975 -10.820 -5.310
67 H GLY 12 H GLY 12 -4.599 -9.322 1.326
68 HA2 GLY 12 HA2 GLY 12 -4.108 -10.861 3.164
69 HA3 GLY 12 HA3 GLY 12 -2.408 -10.662 2.777
70 H TYR 13 H TYR 13 -3.208 -7.685 2.347
71 HA TYR 13 HA TYR 13 -2.648 -6.956 5.141
72 HB2 TYR 13 HB2 TYR 13 -1.219 -6.109 3.261
73 HB3 TYR 13 HB3 TYR 13 -2.628 -5.272 2.637
74 HD1 TYR 13 HD1 TYR 13 -3.222 -3.100 3.517
75 HD2 TYR 13 HD2 TYR 13 -0.210 -5.407 5.440
76 HE1 TYR 13 HE1 TYR 13 -2.553 -1.129 4.812
77 HE2 TYR 13 HE2 TYR 13 0.458 -3.442 6.755
78 HH TYR 13 HH TYR 13 -1.394 -0.482 6.682
79 H SER 14 H SER 14 -4.214 -6.006 6.401
80 HA SER 14 HA SER 14 -6.656 -5.148 5.033
81 HB2 SER 14 HB2 SER 14 -7.867 -6.282 6.972
82 HB3 SER 14 HB3 SER 14 -7.138 -7.312 5.736
83 HG SER 14 HG SER 14 -6.216 -8.221 7.326
84 H GLY 15 H GLY 15 -4.291 -3.917 6.632
85 HA2 GLY 15 HA2 GLY 15 -5.753 -2.510 8.724
86 HA3 GLY 15 HA3 GLY 15 -4.032 -2.374 8.387
87 HA PRO 16 HA PRO 16 -5.739 1.569 6.871
88 HB2 PRO 16 HB2 PRO 16 -3.324 2.876 6.842
89 HB3 PRO 16 HB3 PRO 16 -4.352 2.760 8.273
90 HG2 PRO 16 HG2 PRO 16 -1.928 1.179 7.544
91 HG3 PRO 16 HG3 PRO 16 -2.452 1.773 9.127
92 HD2 PRO 16 HD2 PRO 16 -2.752 -0.793 8.316
93 HD3 PRO 16 HD3 PRO 16 -3.853 -0.015 9.477
94 H THR 17 H THR 17 -6.251 1.285 4.794
95 HA THR 17 HA THR 17 -4.169 0.644 2.900
96 HB THR 17 HB THR 17 -6.196 0.341 1.361
97 HG1 THR 17 HG1 THR 17 -8.053 -0.232 2.925
98 HG21 THR 17 HG21 THR 17 -5.987 -1.393 3.833
99 HG22 THR 17 HG22 THR 17 -4.951 -1.520 2.417
100 HG23 THR 17 HG23 THR 17 -6.667 -1.887 2.281
101 H VAL 18 H VAL 18 -5.492 3.326 4.149
102 HA VAL 18 HA VAL 18 -5.524 4.835 1.687
103 HB VAL 18 HB VAL 18 -7.302 5.330 3.262
104 HG11 VAL 18 HG11 VAL 18 -6.897 6.411 5.432
105 HG12 VAL 18 HG12 VAL 18 -5.166 6.178 5.207
106 HG13 VAL 18 HG13 VAL 18 -6.226 4.780 5.361
107 HG21 VAL 18 HG21 VAL 18 -6.567 7.151 1.837
108 HG22 VAL 18 HG22 VAL 18 -5.363 7.624 3.036
109 HG23 VAL 18 HG23 VAL 18 -7.079 7.778 3.406
110 H CYS 19 H CYS 19 -3.886 5.923 0.933
111 HA CYS 19 HA CYS 19 -1.417 6.003 2.408
112 HB2 CYS 19 HB2 CYS 19 -2.103 6.842 -0.402
113 HB3 CYS 19 HB3 CYS 19 -0.489 6.930 0.292
114 H ALA 20 H ALA 20 -0.109 7.887 2.465
115 HA ALA 20 HA ALA 20 -1.378 10.098 3.669
116 HB1 ALA 20 HB1 ALA 20 1.451 9.811 2.666
117 HB2 ALA 20 HB2 ALA 20 0.873 9.359 4.273
118 HB3 ALA 20 HB3 ALA 20 0.866 11.051 3.777
119 H SER 21 H SER 21 -1.142 12.326 2.994
120 HA SER 21 HA SER 21 -2.343 12.921 0.616
121 HB2 SER 21 HB2 SER 21 -0.580 14.645 2.345
122 HB3 SER 21 HB3 SER 21 -1.789 15.222 1.200
123 HG SER 21 HG SER 21 -3.373 14.391 2.399
124 H GLY 22 H GLY 22 -1.590 12.701 -1.380
125 HA2 GLY 22 HA2 GLY 22 -0.187 13.622 -3.095
126 HA3 GLY 22 HA3 GLY 22 1.147 13.602 -1.949
127 H THR 23 H THR 23 0.043 10.829 -1.148
128 HA THR 23 HA THR 23 1.536 9.486 -3.290
129 HB THR 23 HB THR 23 2.009 7.687 -1.663
130 HG1 THR 23 HG1 THR 23 0.330 9.262 -0.072
131 HG21 THR 23 HG21 THR 23 2.802 10.452 -0.759
132 HG22 THR 23 HG22 THR 23 3.648 9.447 -1.944
133 HG23 THR 23 HG23 THR 23 3.571 8.950 -0.251
134 H THR 24 H THR 24 0.764 7.597 -4.187
135 HA THR 24 HA THR 24 -2.044 7.025 -3.569
136 HB THR 24 HB THR 24 -2.116 6.142 -5.939
137 HG1 THR 24 HG1 THR 24 0.512 6.992 -5.879
138 HG21 THR 24 HG21 THR 24 -3.182 8.242 -5.361
139 HG22 THR 24 HG22 THR 24 -2.425 8.389 -6.945
140 HG23 THR 24 HG23 THR 24 -1.653 9.102 -5.531
141 H CYS 25 H CYS 25 -2.681 4.805 -3.653
142 HA CYS 25 HA CYS 25 -0.613 3.040 -2.758
143 HB2 CYS 25 HB2 CYS 25 -2.886 2.960 -1.776
144 HB3 CYS 25 HB3 CYS 25 -3.545 2.499 -3.343
145 H GLN 26 H GLN 26 0.765 2.289 -4.261
146 HA GLN 26 HA GLN 26 -0.398 1.466 -6.793
147 HB2 GLN 26 HB2 GLN 26 2.476 2.182 -6.187
148 HB3 GLN 26 HB3 GLN 26 1.844 1.708 -7.760
149 HG2 GLN 26 HG2 GLN 26 0.348 3.712 -7.670
150 HG3 GLN 26 HG3 GLN 26 1.188 4.202 -6.205
151 HE21 GLN 26 HE21 GLN 26 2.016 6.092 -7.097
152 HE22 GLN 26 HE22 GLN 26 3.245 6.054 -8.307
153 H VAL 27 H VAL 27 -0.447 -0.577 -7.240
154 HA VAL 27 HA VAL 27 0.524 -2.485 -5.311
155 HB VAL 27 HB VAL 27 -0.937 -2.954 -7.930
156 HG11 VAL 27 HG11 VAL 27 -1.530 -5.135 -6.987
157 HG12 VAL 27 HG12 VAL 27 -0.535 -4.790 -5.572
158 HG13 VAL 27 HG13 VAL 27 0.215 -4.949 -7.162
159 HG21 VAL 27 HG21 VAL 27 -2.042 -2.737 -5.130
160 HG22 VAL 27 HG22 VAL 27 -2.963 -3.192 -6.560
161 HG23 VAL 27 HG23 VAL 27 -2.270 -1.573 -6.433
162 H LEU 28 H LEU 28 2.567 -3.107 -5.416
163 HA LEU 28 HA LEU 28 3.997 -3.069 -7.960
164 HB2 LEU 28 HB2 LEU 28 4.993 -3.646 -5.161
165 HB3 LEU 28 HB3 LEU 28 6.003 -3.518 -6.582
166 HG LEU 28 HG LEU 28 4.429 -1.281 -5.300
167 HD11 LEU 28 HD11 LEU 28 6.629 -0.373 -4.750
168 HD12 LEU 28 HD12 LEU 28 7.393 -1.808 -5.432
169 HD13 LEU 28 HD13 LEU 28 6.366 -1.948 -4.003
170 HD21 LEU 28 HD21 LEU 28 6.287 -1.238 -7.680
171 HD22 LEU 28 HD22 LEU 28 5.600 0.179 -6.891
172 HD23 LEU 28 HD23 LEU 28 4.545 -0.971 -7.713
173 H ASN 29 H ASN 29 3.955 -5.235 -5.200
174 HA ASN 29 HA ASN 29 4.076 -7.552 -6.978
175 HB2 ASN 29 HB2 ASN 29 4.233 -7.442 -3.940
176 HB3 ASN 29 HB3 ASN 29 4.565 -8.834 -4.956
177 HD21 ASN 29 HD21 ASN 29 6.226 -7.678 -2.986
178 HD22 ASN 29 HD22 ASN 29 7.692 -7.184 -3.744
179 HA PRO 30 HA PRO 30 -0.259 -8.357 -6.262
180 HB2 PRO 30 HB2 PRO 30 0.339 -11.076 -5.230
181 HB3 PRO 30 HB3 PRO 30 -0.673 -10.597 -6.597
182 HG2 PRO 30 HG2 PRO 30 1.710 -11.722 -6.992
183 HG3 PRO 30 HG3 PRO 30 1.134 -10.413 -8.040
184 HD2 PRO 30 HD2 PRO 30 3.102 -10.319 -5.788
185 HD3 PRO 30 HD3 PRO 30 3.175 -9.499 -7.360
186 H TYR 31 H TYR 31 1.987 -9.155 -3.717
187 HA TYR 31 HA TYR 31 -0.186 -8.914 -1.740
188 HB2 TYR 31 HB2 TYR 31 2.581 -10.026 -1.290
189 HB3 TYR 31 HB3 TYR 31 1.215 -10.104 -0.190
190 HD1 TYR 31 HD1 TYR 31 -0.566 -11.746 -0.538
191 HD2 TYR 31 HD2 TYR 31 2.682 -11.456 -3.254
192 HE1 TYR 31 HE1 TYR 31 -1.181 -13.917 -1.508
193 HE2 TYR 31 HE2 TYR 31 2.081 -13.615 -4.228
194 HH TYR 31 HH TYR 31 0.917 -15.624 -3.472
195 H TYR 32 H TYR 32 2.813 -7.490 -2.817
196 HA TYR 32 HA TYR 32 2.664 -5.646 -0.569
197 HB2 TYR 32 HB2 TYR 32 4.845 -6.756 -0.799
198 HB3 TYR 32 HB3 TYR 32 5.008 -6.108 -2.428
199 HD1 TYR 32 HD1 TYR 32 5.908 -3.947 -2.766
200 HD2 TYR 32 HD2 TYR 32 4.716 -5.152 1.132
201 HE1 TYR 32 HE1 TYR 32 6.907 -1.906 -1.826
202 HE2 TYR 32 HE2 TYR 32 5.720 -3.123 2.074
203 HH TYR 32 HH TYR 32 7.334 -1.473 1.543
204 H SER 33 H SER 33 1.617 -3.894 -0.958
205 HA SER 33 HA SER 33 1.901 -2.568 -3.559
206 HB2 SER 33 HB2 SER 33 -0.335 -2.369 -1.517
207 HB3 SER 33 HB3 SER 33 -0.319 -1.583 -3.091
208 HG SER 33 HG SER 33 -1.522 -3.572 -2.939
209 H GLN 34 H GLN 34 2.394 -0.288 -3.410
210 HA GLN 34 HA GLN 34 3.277 0.508 -0.726
211 HB2 GLN 34 HB2 GLN 34 5.157 -0.423 -2.033
212 HB3 GLN 34 HB3 GLN 34 4.873 0.783 -3.272
213 HG2 GLN 34 HG2 GLN 34 5.444 2.552 -1.724
214 HG3 GLN 34 HG3 GLN 34 5.636 1.376 -0.425
215 HE21 GLN 34 HE21 GLN 34 7.428 0.008 -0.444
216 HE22 GLN 34 HE22 GLN 34 8.812 0.341 -1.411
217 H CYS 35 H CYS 35 2.963 2.602 -0.223
218 HA CYS 35 HA CYS 35 1.397 4.243 -1.963
219 HB2 CYS 35 HB2 CYS 35 2.753 4.947 0.648
220 HB3 CYS 35 HB3 CYS 35 1.608 5.972 -0.204
221 H LEU 36 H LEU 36 2.175 5.220 -3.615
222 HA LEU 36 HA LEU 36 4.742 6.584 -3.476
223 HB2 LEU 36 HB2 LEU 36 3.650 4.952 -5.773
224 HB3 LEU 36 HB3 LEU 36 5.052 5.994 -5.872
225 HG LEU 36 HG LEU 36 4.881 3.581 -4.064
226 HD11 LEU 36 HD11 LEU 36 4.769 2.934 -6.424
227 HD12 LEU 36 HD12 LEU 36 6.309 2.479 -5.696
228 HD13 LEU 36 HD13 LEU 36 6.216 3.888 -6.756
229 HD21 LEU 36 HD21 LEU 36 6.464 5.298 -3.328
230 HD22 LEU 36 HD22 LEU 36 7.204 5.307 -4.928
231 HD23 LEU 36 HD23 LEU 36 7.306 3.867 -3.919
232 H1 MAN 101 H1 MAN 101 6.248 6.539 6.980
233 H2 MAN 101 H2 MAN 101 5.553 3.636 6.665
234 H3 MAN 101 H3 MAN 101 5.321 3.550 8.966
235 H4 MAN 101 H4 MAN 101 7.547 5.608 9.007
236 H5 MAN 101 H5 MAN 101 4.785 5.924 10.305
237 H61 MAN 101 H61 MAN 101 6.804 7.716 8.902
238 H62 MAN 101 H62 MAN 101 6.285 7.770 10.605
239 HO2 MAN 101 HO2 MAN 101 7.796 3.576 6.870
240 HO3 MAN 101 HO3 MAN 101 7.370 2.728 9.645
241 HO4 MAN 101 HO4 MAN 101 6.186 4.312 11.172
242 HO6 MAN 101 HO6 MAN 101 4.084 7.936 9.131
Start of MODEL 12
1 H1 THR 1 H1 THR 1 -1.909 6.438 9.145
2 H2 THR 1 H2 THR 1 -2.605 4.921 8.830
3 H3 THR 1 H3 THR 1 -3.568 6.312 8.969
4 HA THR 1 HA THR 1 -3.275 5.689 6.673
5 HB THR 1 HB THR 1 -1.885 8.279 7.451
6 HG1 THR 1 HG1 THR 1 -3.834 9.101 7.906
7 HG21 THR 1 HG21 THR 1 -3.734 7.599 5.157
8 HG22 THR 1 HG22 THR 1 -1.986 7.805 5.037
9 HG23 THR 1 HG23 THR 1 -3.009 9.172 5.476
10 H GLN 2 H GLN 2 -1.767 5.066 5.033
11 HA GLN 2 HA GLN 2 0.886 4.479 6.051
12 HB2 GLN 2 HB2 GLN 2 -0.584 2.824 4.745
13 HB3 GLN 2 HB3 GLN 2 -0.225 3.799 3.327
14 HG2 GLN 2 HG2 GLN 2 1.233 1.866 3.438
15 HG3 GLN 2 HG3 GLN 2 2.176 3.344 3.636
16 HE21 GLN 2 HE21 GLN 2 0.951 0.514 5.186
17 HE22 GLN 2 HE22 GLN 2 1.872 0.636 6.630
18 H SER 3 H SER 3 2.728 5.396 5.227
19 HA SER 3 HA SER 3 2.300 7.902 3.796
20 HB2 SER 3 HB2 SER 3 4.658 6.869 5.339
21 HB3 SER 3 HB3 SER 3 4.469 8.501 4.702
22 H HIS 4 H HIS 4 4.555 8.486 2.605
23 HA HIS 4 HA HIS 4 4.720 6.834 0.310
24 HB2 HIS 4 HB2 HIS 4 5.363 9.239 0.275
25 HB3 HIS 4 HB3 HIS 4 6.725 8.883 1.325
26 HD1 HIS 4 HD1 HIS 4 8.879 8.240 0.190
27 HD2 HIS 4 HD2 HIS 4 5.630 8.053 -2.392
28 HE1 HIS 4 HE1 HIS 4 9.839 7.795 -2.066
29 HE2 HIS 4 HE2 HIS 4 7.875 7.500 -3.568
30 H ALA 5 H ALA 5 5.835 5.063 -0.039
31 HA ALA 5 HA ALA 5 7.070 3.239 0.263
32 HB1 ALA 5 HB1 ALA 5 8.784 4.816 2.196
33 HB2 ALA 5 HB2 ALA 5 9.060 4.732 0.457
34 HB3 ALA 5 HB3 ALA 5 9.213 3.276 1.449
35 H GLY 6 H GLY 6 5.875 1.803 1.098
36 HA2 GLY 6 HA2 GLY 6 5.895 0.772 3.541
37 HA3 GLY 6 HA3 GLY 6 4.732 2.089 3.700
38 H GLN 7 H GLN 7 4.336 -0.826 3.741
39 HA GLN 7 HA GLN 7 2.975 -1.418 1.293
40 HB2 GLN 7 HB2 GLN 7 4.098 -3.195 2.560
41 HB3 GLN 7 HB3 GLN 7 3.015 -2.913 3.916
42 HG2 GLN 7 HG2 GLN 7 1.133 -3.671 2.621
43 HG3 GLN 7 HG3 GLN 7 2.134 -3.866 1.189
44 HE21 GLN 7 HE21 GLN 7 0.564 -5.844 2.614
45 HE22 GLN 7 HE22 GLN 7 1.648 -7.071 3.125
46 H CYS 8 H CYS 8 1.217 -0.381 0.868
47 HA CYS 8 HA CYS 8 -0.576 0.524 2.921
48 HB2 CYS 8 HB2 CYS 8 -1.888 1.408 0.964
49 HB3 CYS 8 HB3 CYS 8 -0.251 2.029 1.135
50 H GLY 9 H GLY 9 -0.692 -1.949 0.361
51 HA2 GLY 9 HA2 GLY 9 -2.483 -3.539 1.799
52 HA3 GLY 9 HA3 GLY 9 -3.422 -2.450 0.790
53 H GLY 10 H GLY 10 -1.502 -5.239 0.908
54 HA2 GLY 10 HA2 GLY 10 -2.019 -5.658 -1.944
55 HA3 GLY 10 HA3 GLY 10 -0.712 -6.437 -1.044
56 H ILE 11 H ILE 11 -1.869 -8.410 -1.948
57 HA ILE 11 HA ILE 11 -4.420 -9.154 -1.071
58 HB ILE 11 HB ILE 11 -2.052 -10.920 -1.767
59 HG12 ILE 11 HG12 ILE 11 -4.425 -10.076 -3.449
60 HG13 ILE 11 HG13 ILE 11 -2.817 -9.371 -3.558
61 HG21 ILE 11 HG21 ILE 11 -4.978 -11.645 -1.547
62 HG22 ILE 11 HG22 ILE 11 -3.695 -12.181 -0.464
63 HG23 ILE 11 HG23 ILE 11 -3.705 -12.709 -2.146
64 HD11 ILE 11 HD11 ILE 11 -3.186 -10.976 -5.334
65 HD12 ILE 11 HD12 ILE 11 -3.553 -12.227 -4.144
66 HD13 ILE 11 HD13 ILE 11 -1.929 -11.548 -4.237
67 H GLY 12 H GLY 12 -5.016 -9.144 0.989
68 HA2 GLY 12 HA2 GLY 12 -5.198 -10.521 2.934
69 HA3 GLY 12 HA3 GLY 12 -3.468 -10.810 2.832
70 H TYR 13 H TYR 13 -3.592 -7.699 2.197
71 HA TYR 13 HA TYR 13 -3.144 -7.031 5.026
72 HB2 TYR 13 HB2 TYR 13 -1.310 -6.679 3.349
73 HB3 TYR 13 HB3 TYR 13 -2.339 -5.491 2.561
74 HD1 TYR 13 HD1 TYR 13 -0.041 -6.143 5.250
75 HD2 TYR 13 HD2 TYR 13 -2.933 -3.390 3.814
76 HE1 TYR 13 HE1 TYR 13 0.876 -4.416 6.722
77 HE2 TYR 13 HE2 TYR 13 -2.035 -1.660 5.261
78 HH TYR 13 HH TYR 13 0.951 -1.923 6.704
79 H SER 14 H SER 14 -4.879 -6.131 5.981
80 HA SER 14 HA SER 14 -6.666 -4.517 4.312
81 HB2 SER 14 HB2 SER 14 -8.337 -5.179 6.144
82 HB3 SER 14 HB3 SER 14 -7.849 -6.385 4.951
83 HG SER 14 HG SER 14 -7.166 -7.530 6.488
84 H GLY 15 H GLY 15 -4.295 -3.898 6.261
85 HA2 GLY 15 HA2 GLY 15 -5.428 -2.243 8.320
86 HA3 GLY 15 HA3 GLY 15 -3.745 -2.326 7.856
87 HA PRO 16 HA PRO 16 -4.808 1.880 6.574
88 HB2 PRO 16 HB2 PRO 16 -2.250 2.765 6.328
89 HB3 PRO 16 HB3 PRO 16 -3.083 2.649 7.881
90 HG2 PRO 16 HG2 PRO 16 -1.126 0.753 6.645
91 HG3 PRO 16 HG3 PRO 16 -1.237 1.311 8.327
92 HD2 PRO 16 HD2 PRO 16 -2.186 -1.103 7.518
93 HD3 PRO 16 HD3 PRO 16 -2.920 -0.176 8.839
94 H THR 17 H THR 17 -5.613 0.815 4.625
95 HA THR 17 HA THR 17 -3.872 0.544 2.390
96 HB THR 17 HB THR 17 -6.064 0.172 1.175
97 HG1 THR 17 HG1 THR 17 -7.902 0.106 2.361
98 HG21 THR 17 HG21 THR 17 -5.590 -1.472 3.674
99 HG22 THR 17 HG22 THR 17 -4.766 -1.690 2.138
100 HG23 THR 17 HG23 THR 17 -6.500 -1.996 2.254
101 H VAL 18 H VAL 18 -5.317 3.057 3.918
102 HA VAL 18 HA VAL 18 -5.529 4.768 1.587
103 HB VAL 18 HB VAL 18 -7.278 5.003 3.304
104 HG11 VAL 18 HG11 VAL 18 -5.080 5.815 5.189
105 HG12 VAL 18 HG12 VAL 18 -6.077 4.366 5.295
106 HG13 VAL 18 HG13 VAL 18 -6.805 5.956 5.520
107 HG21 VAL 18 HG21 VAL 18 -5.496 7.430 3.136
108 HG22 VAL 18 HG22 VAL 18 -7.174 7.447 3.669
109 HG23 VAL 18 HG23 VAL 18 -6.781 6.984 2.011
110 H CYS 19 H CYS 19 -4.050 6.255 1.039
111 HA CYS 19 HA CYS 19 -1.539 6.158 2.513
112 HB2 CYS 19 HB2 CYS 19 -2.139 6.942 -0.328
113 HB3 CYS 19 HB3 CYS 19 -0.540 6.957 0.411
114 H ALA 20 H ALA 20 -0.298 8.056 2.707
115 HA ALA 20 HA ALA 20 -1.757 10.238 3.751
116 HB1 ALA 20 HB1 ALA 20 1.198 10.027 3.188
117 HB2 ALA 20 HB2 ALA 20 0.392 9.504 4.669
118 HB3 ALA 20 HB3 ALA 20 0.415 11.214 4.231
119 H SER 21 H SER 21 -0.915 12.537 3.200
120 HA SER 21 HA SER 21 -2.114 13.454 0.956
121 HB2 SER 21 HB2 SER 21 0.236 14.719 2.329
122 HB3 SER 21 HB3 SER 21 -1.133 15.525 1.558
123 HG SER 21 HG SER 21 -2.414 14.987 3.206
124 H GLY 22 H GLY 22 -1.568 12.916 -1.127
125 HA2 GLY 22 HA2 GLY 22 -0.344 13.433 -3.020
126 HA3 GLY 22 HA3 GLY 22 1.058 13.768 -2.016
127 H THR 23 H THR 23 -0.453 10.831 -1.243
128 HA THR 23 HA THR 23 1.346 9.434 -3.076
129 HB THR 23 HB THR 23 1.727 7.685 -1.381
130 HG1 THR 23 HG1 THR 23 0.093 9.389 0.155
131 HG21 THR 23 HG21 THR 23 3.424 9.361 -1.612
132 HG22 THR 23 HG22 THR 23 3.249 8.969 0.101
133 HG23 THR 23 HG23 THR 23 2.550 10.457 -0.544
134 H THR 24 H THR 24 0.626 7.560 -3.958
135 HA THR 24 HA THR 24 -2.209 6.930 -3.507
136 HB THR 24 HB THR 24 -2.189 6.176 -5.916
137 HG1 THR 24 HG1 THR 24 0.454 7.233 -5.766
138 HG21 THR 24 HG21 THR 24 -3.103 8.377 -5.305
139 HG22 THR 24 HG22 THR 24 -2.312 8.437 -6.880
140 HG23 THR 24 HG23 THR 24 -1.496 9.089 -5.462
141 H CYS 25 H CYS 25 -2.696 4.778 -3.165
142 HA CYS 25 HA CYS 25 -0.524 3.001 -2.567
143 HB2 CYS 25 HB2 CYS 25 -2.595 2.970 -1.213
144 HB3 CYS 25 HB3 CYS 25 -3.506 2.494 -2.641
145 H GLN 26 H GLN 26 0.545 2.102 -4.184
146 HA GLN 26 HA GLN 26 -1.052 1.135 -6.426
147 HB2 GLN 26 HB2 GLN 26 1.812 2.081 -6.453
148 HB3 GLN 26 HB3 GLN 26 0.948 1.417 -7.837
149 HG2 GLN 26 HG2 GLN 26 -0.691 3.265 -7.631
150 HG3 GLN 26 HG3 GLN 26 0.299 3.950 -6.353
151 HE21 GLN 26 HE21 GLN 26 0.626 5.824 -7.509
152 HE22 GLN 26 HE22 GLN 26 1.648 5.899 -8.893
153 H VAL 27 H VAL 27 -1.094 -0.899 -6.756
154 HA VAL 27 HA VAL 27 0.267 -2.757 -5.115
155 HB VAL 27 HB VAL 27 -1.339 -3.200 -7.657
156 HG11 VAL 27 HG11 VAL 27 -0.556 -5.165 -5.502
157 HG12 VAL 27 HG12 VAL 27 0.088 -5.116 -7.142
158 HG13 VAL 27 HG13 VAL 27 -1.613 -5.506 -6.875
159 HG21 VAL 27 HG21 VAL 27 -2.654 -2.102 -5.906
160 HG22 VAL 27 HG22 VAL 27 -2.196 -3.365 -4.767
161 HG23 VAL 27 HG23 VAL 27 -3.197 -3.759 -6.163
162 H LEU 28 H LEU 28 2.285 -3.314 -5.367
163 HA LEU 28 HA LEU 28 3.556 -3.016 -7.989
164 HB2 LEU 28 HB2 LEU 28 4.818 -3.499 -5.277
165 HB3 LEU 28 HB3 LEU 28 5.686 -3.154 -6.751
166 HG LEU 28 HG LEU 28 3.926 -1.268 -5.189
167 HD11 LEU 28 HD11 LEU 28 5.994 -0.008 -4.868
168 HD12 LEU 28 HD12 LEU 28 6.885 -1.265 -5.727
169 HD13 LEU 28 HD13 LEU 28 6.098 -1.634 -4.194
170 HD21 LEU 28 HD21 LEU 28 5.394 -0.772 -7.785
171 HD22 LEU 28 HD22 LEU 28 4.592 0.456 -6.808
172 HD23 LEU 28 HD23 LEU 28 3.644 -0.819 -7.567
173 H ASN 29 H ASN 29 3.939 -5.150 -5.233
174 HA ASN 29 HA ASN 29 4.119 -7.465 -7.000
175 HB2 ASN 29 HB2 ASN 29 4.717 -7.153 -4.034
176 HB3 ASN 29 HB3 ASN 29 4.932 -8.623 -4.972
177 HD21 ASN 29 HD21 ASN 29 6.863 -7.029 -3.457
178 HD22 ASN 29 HD22 ASN 29 8.107 -6.645 -4.581
179 HA PRO 30 HA PRO 30 0.037 -8.863 -5.901
180 HB2 PRO 30 HB2 PRO 30 1.078 -11.295 -4.536
181 HB3 PRO 30 HB3 PRO 30 -0.085 -11.167 -5.859
182 HG2 PRO 30 HG2 PRO 30 2.385 -11.987 -6.354
183 HG3 PRO 30 HG3 PRO 30 1.581 -10.863 -7.466
184 HD2 PRO 30 HD2 PRO 30 3.630 -10.313 -5.363
185 HD3 PRO 30 HD3 PRO 30 3.534 -9.674 -7.021
186 H TYR 31 H TYR 31 2.334 -9.297 -3.220
187 HA TYR 31 HA TYR 31 0.116 -8.798 -1.366
188 HB2 TYR 31 HB2 TYR 31 2.889 -9.845 -0.715
189 HB3 TYR 31 HB3 TYR 31 1.532 -9.708 0.385
190 HD1 TYR 31 HD1 TYR 31 2.974 -11.642 -2.365
191 HD2 TYR 31 HD2 TYR 31 -0.318 -11.264 0.285
192 HE1 TYR 31 HE1 TYR 31 2.264 -13.912 -2.945
193 HE2 TYR 31 HE2 TYR 31 -1.039 -13.536 -0.281
194 HH TYR 31 HH TYR 31 0.933 -15.717 -1.976
195 H TYR 32 H TYR 32 3.014 -7.452 -2.646
196 HA TYR 32 HA TYR 32 2.996 -5.449 -0.522
197 HB2 TYR 32 HB2 TYR 32 5.154 -6.618 -0.962
198 HB3 TYR 32 HB3 TYR 32 5.166 -5.919 -2.574
199 HD1 TYR 32 HD1 TYR 32 6.118 -3.783 -2.934
200 HD2 TYR 32 HD2 TYR 32 5.096 -5.017 1.012
201 HE1 TYR 32 HE1 TYR 32 7.251 -1.797 -2.014
202 HE2 TYR 32 HE2 TYR 32 6.221 -3.043 1.926
203 HH TYR 32 HH TYR 32 7.335 -0.429 -0.021
204 H SER 33 H SER 33 1.876 -3.788 -0.925
205 HA SER 33 HA SER 33 1.956 -2.497 -3.554
206 HB2 SER 33 HB2 SER 33 -0.262 -2.499 -1.484
207 HB3 SER 33 HB3 SER 33 -0.330 -1.707 -3.060
208 HG SER 33 HG SER 33 -1.326 -3.852 -2.786
209 H GLN 34 H GLN 34 2.263 -0.201 -3.371
210 HA GLN 34 HA GLN 34 2.968 0.634 -0.670
211 HB2 GLN 34 HB2 GLN 34 5.008 -0.172 -1.539
212 HB3 GLN 34 HB3 GLN 34 4.768 0.647 -3.069
213 HG2 GLN 34 HG2 GLN 34 5.189 2.759 -2.102
214 HG3 GLN 34 HG3 GLN 34 5.150 2.088 -0.472
215 HE21 GLN 34 HE21 GLN 34 6.931 2.304 -3.415
216 HE22 GLN 34 HE22 GLN 34 8.437 1.790 -2.773
217 H CYS 35 H CYS 35 2.791 2.797 -0.252
218 HA CYS 35 HA CYS 35 1.191 4.384 -1.996
219 HB2 CYS 35 HB2 CYS 35 2.607 5.125 0.570
220 HB3 CYS 35 HB3 CYS 35 1.371 6.086 -0.235
221 H LEU 36 H LEU 36 1.984 5.301 -3.676
222 HA LEU 36 HA LEU 36 4.663 6.478 -3.644
223 HB2 LEU 36 HB2 LEU 36 3.003 5.488 -5.970
224 HB3 LEU 36 HB3 LEU 36 4.571 6.255 -6.103
225 HG LEU 36 HG LEU 36 4.048 3.596 -4.770
226 HD11 LEU 36 HD11 LEU 36 3.726 3.482 -7.180
227 HD12 LEU 36 HD12 LEU 36 5.212 2.654 -6.707
228 HD13 LEU 36 HD13 LEU 36 5.290 4.257 -7.434
229 HD21 LEU 36 HD21 LEU 36 6.499 3.405 -4.806
230 HD22 LEU 36 HD22 LEU 36 5.941 4.727 -3.782
231 HD23 LEU 36 HD23 LEU 36 6.609 5.070 -5.377
232 H1 MAN 101 H1 MAN 101 4.843 7.720 7.496
233 H2 MAN 101 H2 MAN 101 2.324 9.165 8.296
234 H3 MAN 101 H3 MAN 101 3.724 10.857 9.137
235 H4 MAN 101 H4 MAN 101 5.863 8.691 9.426
236 H5 MAN 101 H5 MAN 101 6.023 11.130 7.595
237 H61 MAN 101 H61 MAN 101 7.263 9.582 6.160
238 H62 MAN 101 H62 MAN 101 6.944 8.215 7.248
239 HO2 MAN 101 HO2 MAN 101 2.761 6.941 8.803
240 HO3 MAN 101 HO3 MAN 101 3.962 8.631 10.887
241 HO4 MAN 101 HO4 MAN 101 7.141 10.570 9.916
242 HO6 MAN 101 HO6 MAN 101 8.706 10.389 7.537
Start of MODEL 13
1 H1 THR 1 H1 THR 1 -2.687 5.233 9.001
2 H2 THR 1 H2 THR 1 -3.740 6.555 9.117
3 H3 THR 1 H3 THR 1 -2.066 6.777 9.218
4 HA THR 1 HA THR 1 -3.472 5.853 6.830
5 HB THR 1 HB THR 1 -2.197 8.529 7.447
6 HG1 THR 1 HG1 THR 1 -4.258 9.264 7.799
7 HG21 THR 1 HG21 THR 1 -2.294 7.929 5.057
8 HG22 THR 1 HG22 THR 1 -3.393 9.258 5.420
9 HG23 THR 1 HG23 THR 1 -4.023 7.625 5.203
10 H GLN 2 H GLN 2 -2.018 5.266 5.170
11 HA GLN 2 HA GLN 2 0.626 4.697 6.182
12 HB2 GLN 2 HB2 GLN 2 -0.985 3.063 5.000
13 HB3 GLN 2 HB3 GLN 2 -0.505 3.882 3.527
14 HG2 GLN 2 HG2 GLN 2 0.753 1.827 3.840
15 HG3 GLN 2 HG3 GLN 2 1.808 3.234 3.908
16 HE21 GLN 2 HE21 GLN 2 1.866 0.439 5.048
17 HE22 GLN 2 HE22 GLN 2 2.280 0.665 6.708
18 H SER 3 H SER 3 2.353 5.834 5.600
19 HA SER 3 HA SER 3 1.976 8.006 3.728
20 HB2 SER 3 HB2 SER 3 4.069 8.823 4.636
21 HB3 SER 3 HB3 SER 3 2.915 8.475 5.925
22 H HIS 4 H HIS 4 4.235 8.516 2.622
23 HA HIS 4 HA HIS 4 4.626 6.827 0.476
24 HB2 HIS 4 HB2 HIS 4 5.312 9.222 0.569
25 HB3 HIS 4 HB3 HIS 4 6.586 8.774 1.686
26 HD1 HIS 4 HD1 HIS 4 8.799 8.286 0.654
27 HD2 HIS 4 HD2 HIS 4 5.690 7.974 -2.077
28 HE1 HIS 4 HE1 HIS 4 9.884 7.848 -1.540
29 HE2 HIS 4 HE2 HIS 4 8.006 8.036 -3.195
30 H ALA 5 H ALA 5 5.858 5.119 0.070
31 HA ALA 5 HA ALA 5 7.366 3.483 0.165
32 HB1 ALA 5 HB1 ALA 5 8.698 4.884 2.494
33 HB2 ALA 5 HB2 ALA 5 9.062 5.178 0.796
34 HB3 ALA 5 HB3 ALA 5 9.390 3.596 1.503
35 H GLY 6 H GLY 6 5.048 3.965 2.321
36 HA2 GLY 6 HA2 GLY 6 5.666 1.632 3.953
37 HA3 GLY 6 HA3 GLY 6 4.263 2.686 4.115
38 H GLN 7 H GLN 7 4.245 -0.195 4.000
39 HA GLN 7 HA GLN 7 3.221 -0.861 1.384
40 HB2 GLN 7 HB2 GLN 7 4.435 -2.593 2.628
41 HB3 GLN 7 HB3 GLN 7 3.290 -2.471 3.955
42 HG2 GLN 7 HG2 GLN 7 1.513 -3.341 2.540
43 HG3 GLN 7 HG3 GLN 7 2.604 -3.398 1.161
44 HE21 GLN 7 HE21 GLN 7 1.093 -5.576 2.434
45 HE22 GLN 7 HE22 GLN 7 2.276 -6.718 2.927
46 H CYS 8 H CYS 8 1.326 -0.144 0.839
47 HA CYS 8 HA CYS 8 -0.605 0.616 2.838
48 HB2 CYS 8 HB2 CYS 8 -1.979 1.298 0.844
49 HB3 CYS 8 HB3 CYS 8 -0.420 2.099 0.987
50 H GLY 9 H GLY 9 -0.463 -1.907 0.349
51 HA2 GLY 9 HA2 GLY 9 -1.735 -3.786 1.848
52 HA3 GLY 9 HA3 GLY 9 -3.023 -2.738 1.270
53 H GLY 10 H GLY 10 -1.274 -5.444 0.670
54 HA2 GLY 10 HA2 GLY 10 -1.993 -5.373 -2.145
55 HA3 GLY 10 HA3 GLY 10 -0.881 -6.519 -1.401
56 H ILE 11 H ILE 11 -2.118 -8.321 -2.104
57 HA ILE 11 HA ILE 11 -4.871 -8.587 -1.437
58 HB ILE 11 HB ILE 11 -2.811 -10.667 -2.212
59 HG12 ILE 11 HG12 ILE 11 -4.982 -9.341 -3.863
60 HG13 ILE 11 HG13 ILE 11 -3.270 -8.936 -3.920
61 HG21 ILE 11 HG21 ILE 11 -4.734 -12.148 -2.723
62 HG22 ILE 11 HG22 ILE 11 -5.830 -10.936 -2.062
63 HG23 ILE 11 HG23 ILE 11 -4.662 -11.734 -1.008
64 HD11 ILE 11 HD11 ILE 11 -2.775 -11.182 -4.751
65 HD12 ILE 11 HD12 ILE 11 -3.918 -10.334 -5.794
66 HD13 ILE 11 HD13 ILE 11 -4.493 -11.582 -4.688
67 H GLY 12 H GLY 12 -5.576 -8.659 0.567
68 HA2 GLY 12 HA2 GLY 12 -6.090 -9.960 2.465
69 HA3 GLY 12 HA3 GLY 12 -4.551 -10.778 2.291
70 H TYR 13 H TYR 13 -4.833 -7.298 2.259
71 HA TYR 13 HA TYR 13 -3.377 -7.285 4.834
72 HB2 TYR 13 HB2 TYR 13 -2.261 -6.463 2.716
73 HB3 TYR 13 HB3 TYR 13 -3.385 -5.128 2.736
74 HD1 TYR 13 HD1 TYR 13 -0.724 -6.754 4.768
75 HD2 TYR 13 HD2 TYR 13 -2.845 -3.172 3.915
76 HE1 TYR 13 HE1 TYR 13 0.893 -5.487 6.119
77 HE2 TYR 13 HE2 TYR 13 -1.272 -1.883 5.237
78 HH TYR 13 HH TYR 13 0.404 -2.236 7.053
79 H SER 14 H SER 14 -4.602 -6.589 6.514
80 HA SER 14 HA SER 14 -6.939 -4.943 5.919
81 HB2 SER 14 HB2 SER 14 -7.701 -5.722 8.193
82 HB3 SER 14 HB3 SER 14 -7.503 -7.012 7.008
83 HG SER 14 HG SER 14 -5.920 -6.322 9.203
84 H GLY 15 H GLY 15 -3.968 -4.261 6.545
85 HA2 GLY 15 HA2 GLY 15 -4.152 -2.603 8.897
86 HA3 GLY 15 HA3 GLY 15 -2.783 -2.705 7.800
87 HA PRO 16 HA PRO 16 -4.692 1.377 6.966
88 HB2 PRO 16 HB2 PRO 16 -2.373 2.749 6.652
89 HB3 PRO 16 HB3 PRO 16 -3.112 2.472 8.230
90 HG2 PRO 16 HG2 PRO 16 -0.788 1.109 6.971
91 HG3 PRO 16 HG3 PRO 16 -1.090 1.484 8.673
92 HD2 PRO 16 HD2 PRO 16 -1.438 -1.005 7.509
93 HD3 PRO 16 HD3 PRO 16 -2.188 -0.468 9.024
94 H THR 17 H THR 17 -5.485 0.791 5.002
95 HA THR 17 HA THR 17 -3.673 0.280 2.844
96 HB THR 17 HB THR 17 -5.883 -0.251 1.667
97 HG1 THR 17 HG1 THR 17 -7.591 0.272 2.800
98 HG21 THR 17 HG21 THR 17 -4.358 -1.947 2.600
99 HG22 THR 17 HG22 THR 17 -6.038 -2.425 2.817
100 HG23 THR 17 HG23 THR 17 -5.115 -1.770 4.172
101 H VAL 18 H VAL 18 -5.171 2.930 4.118
102 HA VAL 18 HA VAL 18 -5.379 4.267 1.546
103 HB VAL 18 HB VAL 18 -7.269 4.586 3.093
104 HG11 VAL 18 HG11 VAL 18 -6.113 4.388 5.214
105 HG12 VAL 18 HG12 VAL 18 -7.072 5.865 5.145
106 HG13 VAL 18 HG13 VAL 18 -5.320 5.940 4.942
107 HG21 VAL 18 HG21 VAL 18 -6.793 6.358 1.512
108 HG22 VAL 18 HG22 VAL 18 -5.688 7.114 2.660
109 HG23 VAL 18 HG23 VAL 18 -7.414 7.027 3.020
110 H CYS 19 H CYS 19 -3.933 5.693 0.841
111 HA CYS 19 HA CYS 19 -1.545 6.059 2.435
112 HB2 CYS 19 HB2 CYS 19 -2.087 6.730 -0.460
113 HB3 CYS 19 HB3 CYS 19 -0.531 6.866 0.352
114 H ALA 20 H ALA 20 -0.534 8.135 2.498
115 HA ALA 20 HA ALA 20 -2.391 10.176 3.273
116 HB1 ALA 20 HB1 ALA 20 -0.399 11.404 3.980
117 HB2 ALA 20 HB2 ALA 20 0.626 10.208 3.186
118 HB3 ALA 20 HB3 ALA 20 -0.366 9.742 4.568
119 H SER 21 H SER 21 -1.879 12.498 2.608
120 HA SER 21 HA SER 21 -2.503 12.878 -0.067
121 HB2 SER 21 HB2 SER 21 -1.295 14.814 1.910
122 HB3 SER 21 HB3 SER 21 -2.131 15.251 0.420
123 HG SER 21 HG SER 21 -3.239 15.025 2.697
124 H GLY 22 H GLY 22 -1.288 12.909 -1.852
125 HA2 GLY 22 HA2 GLY 22 0.608 13.751 -3.029
126 HA3 GLY 22 HA3 GLY 22 1.545 13.576 -1.557
127 H THR 23 H THR 23 -0.210 10.876 -1.554
128 HA THR 23 HA THR 23 1.566 9.430 -3.365
129 HB THR 23 HB THR 23 1.818 7.633 -1.626
130 HG1 THR 23 HG1 THR 23 0.267 9.383 -0.179
131 HG21 THR 23 HG21 THR 23 3.651 9.180 -2.091
132 HG22 THR 23 HG22 THR 23 3.599 8.746 -0.381
133 HG23 THR 23 HG23 THR 23 2.996 10.319 -0.910
134 H THR 24 H THR 24 0.788 7.393 -4.064
135 HA THR 24 HA THR 24 -2.022 6.880 -3.467
136 HB THR 24 HB THR 24 -2.047 5.905 -5.865
137 HG1 THR 24 HG1 THR 24 0.474 6.649 -5.826
138 HG21 THR 24 HG21 THR 24 -1.866 8.902 -5.470
139 HG22 THR 24 HG22 THR 24 -3.309 7.914 -5.248
140 HG23 THR 24 HG23 THR 24 -2.605 8.103 -6.855
141 H CYS 25 H CYS 25 -2.613 4.615 -3.579
142 HA CYS 25 HA CYS 25 -0.480 2.942 -2.583
143 HB2 CYS 25 HB2 CYS 25 -2.715 2.902 -1.500
144 HB3 CYS 25 HB3 CYS 25 -3.435 2.349 -3.005
145 H GLN 26 H GLN 26 0.861 2.312 -4.200
146 HA GLN 26 HA GLN 26 -0.375 1.366 -6.657
147 HB2 GLN 26 HB2 GLN 26 2.538 1.978 -6.128
148 HB3 GLN 26 HB3 GLN 26 1.827 1.577 -7.684
149 HG2 GLN 26 HG2 GLN 26 0.397 3.637 -7.429
150 HG3 GLN 26 HG3 GLN 26 1.398 4.058 -6.047
151 HE21 GLN 26 HE21 GLN 26 2.258 5.881 -6.937
152 HE22 GLN 26 HE22 GLN 26 3.325 5.870 -8.288
153 H VAL 27 H VAL 27 -0.537 -0.656 -7.032
154 HA VAL 27 HA VAL 27 0.552 -2.594 -5.195
155 HB VAL 27 HB VAL 27 -1.163 -3.020 -7.665
156 HG11 VAL 27 HG11 VAL 27 -0.594 -4.877 -5.356
157 HG12 VAL 27 HG12 VAL 27 0.019 -5.043 -7.000
158 HG13 VAL 27 HG13 VAL 27 -1.710 -5.199 -6.685
159 HG21 VAL 27 HG21 VAL 27 -3.055 -3.236 -6.102
160 HG22 VAL 27 HG22 VAL 27 -2.335 -1.627 -6.057
161 HG23 VAL 27 HG23 VAL 27 -1.989 -2.784 -4.771
162 H LEU 28 H LEU 28 2.604 -3.139 -5.503
163 HA LEU 28 HA LEU 28 3.744 -3.159 -8.184
164 HB2 LEU 28 HB2 LEU 28 5.054 -3.732 -5.507
165 HB3 LEU 28 HB3 LEU 28 5.889 -3.561 -7.034
166 HG LEU 28 HG LEU 28 4.420 -1.369 -5.564
167 HD11 LEU 28 HD11 LEU 28 6.497 -1.990 -4.477
168 HD12 LEU 28 HD12 LEU 28 6.644 -0.411 -5.247
169 HD13 LEU 28 HD13 LEU 28 7.362 -1.832 -6.004
170 HD21 LEU 28 HD21 LEU 28 4.275 -1.051 -7.975
171 HD22 LEU 28 HD22 LEU 28 6.021 -1.267 -8.123
172 HD23 LEU 28 HD23 LEU 28 5.374 0.125 -7.258
173 H ASN 29 H ASN 29 4.004 -5.336 -5.433
174 HA ASN 29 HA ASN 29 3.800 -7.623 -7.245
175 HB2 ASN 29 HB2 ASN 29 4.539 -7.481 -4.290
176 HB3 ASN 29 HB3 ASN 29 4.398 -8.975 -5.194
177 HD21 ASN 29 HD21 ASN 29 6.392 -6.255 -4.480
178 HD22 ASN 29 HD22 ASN 29 7.749 -6.766 -5.386
179 HA PRO 30 HA PRO 30 -0.426 -8.373 -6.081
180 HB2 PRO 30 HB2 PRO 30 0.268 -11.068 -5.028
181 HB3 PRO 30 HB3 PRO 30 -0.920 -10.623 -6.260
182 HG2 PRO 30 HG2 PRO 30 1.350 -11.773 -6.978
183 HG3 PRO 30 HG3 PRO 30 0.692 -10.423 -7.922
184 HD2 PRO 30 HD2 PRO 30 2.896 -10.427 -5.905
185 HD3 PRO 30 HD3 PRO 30 2.845 -9.616 -7.489
186 H TYR 31 H TYR 31 2.031 -9.100 -3.736
187 HA TYR 31 HA TYR 31 0.042 -8.700 -1.634
188 HB2 TYR 31 HB2 TYR 31 2.753 -10.007 -1.380
189 HB3 TYR 31 HB3 TYR 31 1.542 -9.870 -0.108
190 HD1 TYR 31 HD1 TYR 31 -0.836 -10.829 -0.766
191 HD2 TYR 31 HD2 TYR 31 2.823 -11.983 -2.591
192 HE1 TYR 31 HE1 TYR 31 -1.884 -12.911 -1.536
193 HE2 TYR 31 HE2 TYR 31 1.788 -14.068 -3.367
194 HH TYR 31 HH TYR 31 -0.120 -15.515 -2.707
195 H TYR 32 H TYR 32 2.903 -7.364 -3.051
196 HA TYR 32 HA TYR 32 3.139 -5.563 -0.751
197 HB2 TYR 32 HB2 TYR 32 5.208 -6.763 -1.473
198 HB3 TYR 32 HB3 TYR 32 5.130 -5.915 -3.007
199 HD1 TYR 32 HD1 TYR 32 5.571 -5.463 0.645
200 HD2 TYR 32 HD2 TYR 32 6.040 -3.707 -3.199
201 HE1 TYR 32 HE1 TYR 32 6.950 -3.698 1.637
202 HE2 TYR 32 HE2 TYR 32 7.419 -1.917 -2.209
203 HH TYR 32 HH TYR 32 7.832 -0.859 -0.055
204 H SER 33 H SER 33 2.045 -3.842 -0.953
205 HA SER 33 HA SER 33 1.997 -2.402 -3.492
206 HB2 SER 33 HB2 SER 33 -0.123 -2.579 -1.325
207 HB3 SER 33 HB3 SER 33 -0.267 -1.589 -2.773
208 HG SER 33 HG SER 33 -1.321 -3.629 -2.831
209 H GLN 34 H GLN 34 2.519 -0.228 -3.250
210 HA GLN 34 HA GLN 34 3.332 0.550 -0.550
211 HB2 GLN 34 HB2 GLN 34 5.270 -0.377 -1.644
212 HB3 GLN 34 HB3 GLN 34 4.991 0.612 -3.061
213 HG2 GLN 34 HG2 GLN 34 5.589 2.599 -1.850
214 HG3 GLN 34 HG3 GLN 34 5.696 1.687 -0.345
215 HE21 GLN 34 HE21 GLN 34 7.151 2.189 -3.470
216 HE22 GLN 34 HE22 GLN 34 8.679 1.507 -3.081
217 H CYS 35 H CYS 35 3.066 2.665 -0.065
218 HA CYS 35 HA CYS 35 1.480 4.235 -1.834
219 HB2 CYS 35 HB2 CYS 35 2.779 4.987 0.788
220 HB3 CYS 35 HB3 CYS 35 1.620 5.983 -0.088
221 H LEU 36 H LEU 36 2.265 5.068 -3.523
222 HA LEU 36 HA LEU 36 4.678 6.690 -3.449
223 HB2 LEU 36 HB2 LEU 36 3.833 4.762 -5.624
224 HB3 LEU 36 HB3 LEU 36 5.130 5.922 -5.773
225 HG LEU 36 HG LEU 36 5.114 3.589 -3.859
226 HD11 LEU 36 HD11 LEU 36 5.219 2.874 -6.193
227 HD12 LEU 36 HD12 LEU 36 6.770 2.623 -5.397
228 HD13 LEU 36 HD13 LEU 36 6.550 3.989 -6.485
229 HD21 LEU 36 HD21 LEU 36 7.280 5.557 -4.617
230 HD22 LEU 36 HD22 LEU 36 7.501 4.151 -3.584
231 HD23 LEU 36 HD23 LEU 36 6.461 5.471 -3.058
232 H1 MAN 101 H1 MAN 101 4.708 8.233 7.500
233 H2 MAN 101 H2 MAN 101 5.675 9.513 5.451
234 H3 MAN 101 H3 MAN 101 6.765 7.616 4.332
235 H4 MAN 101 H4 MAN 101 8.586 7.632 6.763
236 H5 MAN 101 H5 MAN 101 6.518 5.578 5.784
237 H61 MAN 101 H61 MAN 101 7.016 4.413 7.909
238 H62 MAN 101 H62 MAN 101 8.327 5.570 8.258
239 HO2 MAN 101 HO2 MAN 101 7.351 8.884 7.646
240 HO3 MAN 101 HO3 MAN 101 8.594 9.493 5.488
241 HO4 MAN 101 HO4 MAN 101 9.481 7.181 4.691
242 HO6 MAN 101 HO6 MAN 101 8.885 4.823 5.899
Start of MODEL 14
1 H1 THR 1 H1 THR 1 -3.193 6.140 8.406
2 H2 THR 1 H2 THR 1 -4.219 7.400 7.971
3 H3 THR 1 H3 THR 1 -2.595 7.717 8.333
4 HA THR 1 HA THR 1 -3.558 6.213 6.011
5 HB THR 1 HB THR 1 -2.223 8.161 4.929
6 HG1 THR 1 HG1 THR 1 -2.610 10.104 6.434
7 HG21 THR 1 HG21 THR 1 -4.918 8.602 6.226
8 HG22 THR 1 HG22 THR 1 -4.621 7.930 4.621
9 HG23 THR 1 HG23 THR 1 -4.242 9.619 4.956
10 H GLN 2 H GLN 2 -1.931 5.264 4.751
11 HA GLN 2 HA GLN 2 0.474 4.608 6.191
12 HB2 GLN 2 HB2 GLN 2 -0.738 2.903 4.823
13 HB3 GLN 2 HB3 GLN 2 -0.356 3.825 3.377
14 HG2 GLN 2 HG2 GLN 2 1.137 1.911 3.640
15 HG3 GLN 2 HG3 GLN 2 2.022 3.433 3.733
16 HE21 GLN 2 HE21 GLN 2 0.989 0.620 5.439
17 HE22 GLN 2 HE22 GLN 2 1.920 0.878 6.865
18 H SER 3 H SER 3 2.574 5.034 5.495
19 HA SER 3 HA SER 3 2.823 7.705 4.359
20 HB2 SER 3 HB2 SER 3 4.975 5.983 5.546
21 HB3 SER 3 HB3 SER 3 4.939 7.739 5.383
22 H HIS 4 H HIS 4 4.717 8.079 2.987
23 HA HIS 4 HA HIS 4 4.956 6.648 0.643
24 HB2 HIS 4 HB2 HIS 4 5.787 8.929 0.915
25 HB3 HIS 4 HB3 HIS 4 6.950 8.399 2.108
26 HD1 HIS 4 HD1 HIS 4 9.220 7.859 1.265
27 HD2 HIS 4 HD2 HIS 4 6.412 7.992 -1.789
28 HE1 HIS 4 HE1 HIS 4 10.534 7.684 -0.850
29 HE2 HIS 4 HE2 HIS 4 8.810 7.610 -2.675
30 H ALA 5 H ALA 5 6.191 4.930 -0.015
31 HA ALA 5 HA ALA 5 7.486 3.118 -0.017
32 HB1 ALA 5 HB1 ALA 5 9.315 4.646 0.654
33 HB2 ALA 5 HB2 ALA 5 9.534 3.015 1.290
34 HB3 ALA 5 HB3 ALA 5 8.960 4.304 2.345
35 H GLY 6 H GLY 6 5.185 3.562 2.106
36 HA2 GLY 6 HA2 GLY 6 5.767 1.171 3.679
37 HA3 GLY 6 HA3 GLY 6 4.478 2.331 4.003
38 H GLN 7 H GLN 7 4.107 -0.442 3.913
39 HA GLN 7 HA GLN 7 2.947 -1.097 1.360
40 HB2 GLN 7 HB2 GLN 7 4.018 -2.864 2.691
41 HB3 GLN 7 HB3 GLN 7 2.871 -2.588 3.992
42 HG2 GLN 7 HG2 GLN 7 1.054 -3.385 2.633
43 HG3 GLN 7 HG3 GLN 7 2.100 -3.526 1.225
44 HE21 GLN 7 HE21 GLN 7 0.521 -5.586 2.553
45 HE22 GLN 7 HE22 GLN 7 1.640 -6.798 3.050
46 H CYS 8 H CYS 8 1.129 -0.326 0.794
47 HA CYS 8 HA CYS 8 -0.703 0.773 2.779
48 HB2 CYS 8 HB2 CYS 8 -1.796 1.785 0.848
49 HB3 CYS 8 HB3 CYS 8 -0.078 2.176 0.945
50 H GLY 9 H GLY 9 -0.774 -1.750 0.281
51 HA2 GLY 9 HA2 GLY 9 -2.847 -3.099 1.609
52 HA3 GLY 9 HA3 GLY 9 -3.570 -2.030 0.423
53 H GLY 10 H GLY 10 -1.484 -4.724 0.921
54 HA2 GLY 10 HA2 GLY 10 -1.997 -5.531 -1.852
55 HA3 GLY 10 HA3 GLY 10 -0.588 -6.048 -0.913
56 H ILE 11 H ILE 11 -1.974 -8.078 -1.901
57 HA ILE 11 HA ILE 11 -4.117 -8.970 -0.322
58 HB ILE 11 HB ILE 11 -2.030 -10.613 -1.814
59 HG12 ILE 11 HG12 ILE 11 -4.817 -9.762 -2.654
60 HG13 ILE 11 HG13 ILE 11 -3.322 -9.037 -3.231
61 HG21 ILE 11 HG21 ILE 11 -3.169 -11.972 -0.137
62 HG22 ILE 11 HG22 ILE 11 -3.696 -12.432 -1.761
63 HG23 ILE 11 HG23 ILE 11 -4.736 -11.434 -0.743
64 HD11 ILE 11 HD11 ILE 11 -2.691 -11.161 -4.256
65 HD12 ILE 11 HD12 ILE 11 -4.247 -10.584 -4.854
66 HD13 ILE 11 HD13 ILE 11 -4.188 -11.885 -3.664
67 H GLY 12 H GLY 12 -4.127 -9.436 1.743
68 HA2 GLY 12 HA2 GLY 12 -3.299 -10.820 3.530
69 HA3 GLY 12 HA3 GLY 12 -1.669 -10.476 2.968
70 H TYR 13 H TYR 13 -3.124 -7.640 2.585
71 HA TYR 13 HA TYR 13 -2.518 -6.796 5.333
72 HB2 TYR 13 HB2 TYR 13 -0.964 -5.922 3.558
73 HB3 TYR 13 HB3 TYR 13 -2.342 -5.167 2.789
74 HD1 TYR 13 HD1 TYR 13 -0.168 -5.070 5.781
75 HD2 TYR 13 HD2 TYR 13 -3.222 -3.102 3.582
76 HE1 TYR 13 HE1 TYR 13 0.192 -3.020 7.111
77 HE2 TYR 13 HE2 TYR 13 -2.865 -1.066 4.895
78 HH TYR 13 HH TYR 13 -1.991 -0.325 6.830
79 H SER 14 H SER 14 -4.421 -6.586 6.358
80 HA SER 14 HA SER 14 -6.702 -5.523 4.880
81 HB2 SER 14 HB2 SER 14 -7.967 -6.612 6.775
82 HB3 SER 14 HB3 SER 14 -7.088 -7.709 5.703
83 HG SER 14 HG SER 14 -6.916 -7.859 8.141
84 H GLY 15 H GLY 15 -4.414 -4.151 6.446
85 HA2 GLY 15 HA2 GLY 15 -5.866 -2.781 8.564
86 HA3 GLY 15 HA3 GLY 15 -4.171 -2.567 8.152
87 HA PRO 16 HA PRO 16 -6.330 1.277 6.684
88 HB2 PRO 16 HB2 PRO 16 -4.059 2.823 7.030
89 HB3 PRO 16 HB3 PRO 16 -5.304 2.603 8.265
90 HG2 PRO 16 HG2 PRO 16 -2.685 1.196 7.943
91 HG3 PRO 16 HG3 PRO 16 -3.453 1.794 9.425
92 HD2 PRO 16 HD2 PRO 16 -3.479 -0.785 8.773
93 HD3 PRO 16 HD3 PRO 16 -4.888 -0.024 9.543
94 H THR 17 H THR 17 -6.498 1.092 4.519
95 HA THR 17 HA THR 17 -4.155 0.394 2.990
96 HB THR 17 HB THR 17 -5.963 0.077 1.175
97 HG1 THR 17 HG1 THR 17 -7.900 0.532 1.789
98 HG21 THR 17 HG21 THR 17 -6.493 -2.160 2.069
99 HG22 THR 17 HG22 THR 17 -5.919 -1.654 3.660
100 HG23 THR 17 HG23 THR 17 -4.791 -1.762 2.312
101 H VAL 18 H VAL 18 -5.675 3.225 3.749
102 HA VAL 18 HA VAL 18 -5.131 4.396 1.140
103 HB VAL 18 HB VAL 18 -7.311 4.963 2.124
104 HG11 VAL 18 HG11 VAL 18 -6.844 4.786 4.458
105 HG12 VAL 18 HG12 VAL 18 -7.495 6.393 4.116
106 HG13 VAL 18 HG13 VAL 18 -5.766 6.176 4.391
107 HG21 VAL 18 HG21 VAL 18 -5.462 7.347 2.038
108 HG22 VAL 18 HG22 VAL 18 -7.222 7.417 1.942
109 HG23 VAL 18 HG23 VAL 18 -6.302 6.623 0.666
110 H CYS 19 H CYS 19 -3.473 5.800 0.764
111 HA CYS 19 HA CYS 19 -1.472 5.997 2.862
112 HB2 CYS 19 HB2 CYS 19 -1.272 6.924 -0.016
113 HB3 CYS 19 HB3 CYS 19 0.023 6.713 1.141
114 H ALA 20 H ALA 20 -0.310 8.086 2.997
115 HA ALA 20 HA ALA 20 -2.092 10.224 3.495
116 HB1 ALA 20 HB1 ALA 20 -0.046 11.518 3.964
117 HB2 ALA 20 HB2 ALA 20 0.929 10.212 3.293
118 HB3 ALA 20 HB3 ALA 20 -0.006 9.946 4.764
119 H SER 21 H SER 21 -2.444 12.048 2.304
120 HA SER 21 HA SER 21 -2.490 11.846 -0.442
121 HB2 SER 21 HB2 SER 21 -2.612 14.303 1.303
122 HB3 SER 21 HB3 SER 21 -3.158 14.211 -0.376
123 HG SER 21 HG SER 21 -4.232 12.204 0.999
124 H GLY 22 H GLY 22 -1.166 12.484 -2.013
125 HA2 GLY 22 HA2 GLY 22 0.735 13.743 -2.818
126 HA3 GLY 22 HA3 GLY 22 1.458 13.559 -1.220
127 H THR 23 H THR 23 0.170 10.730 -1.355
128 HA THR 23 HA THR 23 1.958 9.493 -3.280
129 HB THR 23 HB THR 23 2.467 7.662 -1.671
130 HG1 THR 23 HG1 THR 23 0.934 9.292 0.045
131 HG21 THR 23 HG21 THR 23 4.151 8.851 -0.331
132 HG22 THR 23 HG22 THR 23 3.387 10.386 -0.747
133 HG23 THR 23 HG23 THR 23 4.136 9.401 -2.008
134 H THR 24 H THR 24 1.133 7.625 -4.149
135 HA THR 24 HA THR 24 -1.679 7.152 -3.494
136 HB THR 24 HB THR 24 -1.789 6.219 -5.860
137 HG1 THR 24 HG1 THR 24 0.866 6.984 -5.760
138 HG21 THR 24 HG21 THR 24 -1.174 9.150 -5.466
139 HG22 THR 24 HG22 THR 24 -2.753 8.381 -5.278
140 HG23 THR 24 HG23 THR 24 -1.993 8.461 -6.865
141 H CYS 25 H CYS 25 -2.347 5.135 -3.029
142 HA CYS 25 HA CYS 25 -0.417 3.125 -2.467
143 HB2 CYS 25 HB2 CYS 25 -2.481 3.295 -1.150
144 HB3 CYS 25 HB3 CYS 25 -3.438 2.960 -2.591
145 H GLN 26 H GLN 26 0.651 2.395 -4.232
146 HA GLN 26 HA GLN 26 -0.998 1.467 -6.450
147 HB2 GLN 26 HB2 GLN 26 1.926 2.202 -6.422
148 HB3 GLN 26 HB3 GLN 26 1.057 1.580 -7.817
149 HG2 GLN 26 HG2 GLN 26 -0.458 3.552 -7.674
150 HG3 GLN 26 HG3 GLN 26 0.578 4.189 -6.399
151 HE21 GLN 26 HE21 GLN 26 1.046 5.993 -7.637
152 HE22 GLN 26 HE22 GLN 26 2.135 5.918 -8.983
153 H VAL 27 H VAL 27 -1.093 -0.551 -6.899
154 HA VAL 27 HA VAL 27 0.130 -2.468 -5.154
155 HB VAL 27 HB VAL 27 -1.613 -2.887 -7.606
156 HG11 VAL 27 HG11 VAL 27 -0.914 -4.805 -5.381
157 HG12 VAL 27 HG12 VAL 27 -0.326 -4.890 -7.039
158 HG13 VAL 27 HG13 VAL 27 -2.041 -5.123 -6.700
159 HG21 VAL 27 HG21 VAL 27 -3.440 -3.219 -6.022
160 HG22 VAL 27 HG22 VAL 27 -2.754 -1.598 -5.875
161 HG23 VAL 27 HG23 VAL 27 -2.355 -2.838 -4.688
162 H LEU 28 H LEU 28 2.172 -2.930 -5.454
163 HA LEU 28 HA LEU 28 3.377 -2.847 -8.099
164 HB2 LEU 28 HB2 LEU 28 4.596 -3.505 -5.405
165 HB3 LEU 28 HB3 LEU 28 5.497 -3.289 -6.884
166 HG LEU 28 HG LEU 28 3.967 -1.163 -5.388
167 HD11 LEU 28 HD11 LEU 28 6.917 -1.576 -5.808
168 HD12 LEU 28 HD12 LEU 28 6.034 -1.809 -4.298
169 HD13 LEU 28 HD13 LEU 28 6.176 -0.197 -4.998
170 HD21 LEU 28 HD21 LEU 28 3.856 -0.776 -7.797
171 HD22 LEU 28 HD22 LEU 28 5.606 -0.950 -7.912
172 HD23 LEU 28 HD23 LEU 28 4.909 0.400 -7.019
173 H ASN 29 H ASN 29 3.656 -5.101 -5.447
174 HA ASN 29 HA ASN 29 3.506 -7.343 -7.309
175 HB2 ASN 29 HB2 ASN 29 4.187 -7.266 -4.337
176 HB3 ASN 29 HB3 ASN 29 4.204 -8.694 -5.355
177 HD21 ASN 29 HD21 ASN 29 6.351 -7.483 -3.790
178 HD22 ASN 29 HD22 ASN 29 7.618 -7.156 -4.907
179 HA PRO 30 HA PRO 30 -0.697 -8.200 -6.082
180 HB2 PRO 30 HB2 PRO 30 0.037 -10.889 -5.074
181 HB3 PRO 30 HB3 PRO 30 -1.125 -10.447 -6.330
182 HG2 PRO 30 HG2 PRO 30 1.222 -11.565 -6.950
183 HG3 PRO 30 HG3 PRO 30 0.503 -10.312 -7.972
184 HD2 PRO 30 HD2 PRO 30 2.736 -10.118 -6.019
185 HD3 PRO 30 HD3 PRO 30 2.550 -9.317 -7.590
186 H TYR 31 H TYR 31 1.779 -9.200 -3.814
187 HA TYR 31 HA TYR 31 -0.117 -8.891 -1.599
188 HB2 TYR 31 HB2 TYR 31 2.694 -9.998 -1.637
189 HB3 TYR 31 HB3 TYR 31 1.627 -9.966 -0.243
190 HD1 TYR 31 HD1 TYR 31 -0.057 -11.638 0.041
191 HD2 TYR 31 HD2 TYR 31 2.137 -11.459 -3.591
192 HE1 TYR 31 HE1 TYR 31 -0.958 -13.821 -0.605
193 HE2 TYR 31 HE2 TYR 31 1.236 -13.643 -4.251
194 HH TYR 31 HH TYR 31 -1.350 -15.097 -2.567
195 H TYR 32 H TYR 32 2.663 -7.386 -3.049
196 HA TYR 32 HA TYR 32 2.869 -5.598 -0.746
197 HB2 TYR 32 HB2 TYR 32 4.911 -6.834 -1.415
198 HB3 TYR 32 HB3 TYR 32 4.883 -5.980 -2.953
199 HD1 TYR 32 HD1 TYR 32 4.986 -5.397 0.710
200 HD2 TYR 32 HD2 TYR 32 6.046 -3.958 -3.156
201 HE1 TYR 32 HE1 TYR 32 6.345 -3.639 1.745
202 HE2 TYR 32 HE2 TYR 32 7.402 -2.189 -2.123
203 HH TYR 32 HH TYR 32 7.655 -1.025 -0.050
204 H SER 33 H SER 33 1.763 -3.813 -0.989
205 HA SER 33 HA SER 33 1.894 -2.419 -3.566
206 HB2 SER 33 HB2 SER 33 -0.319 -2.273 -1.502
207 HB3 SER 33 HB3 SER 33 -0.302 -1.484 -3.078
208 HG SER 33 HG SER 33 -1.446 -3.615 -2.775
209 H GLN 34 H GLN 34 2.377 -0.168 -3.373
210 HA GLN 34 HA GLN 34 3.217 0.574 -0.678
211 HB2 GLN 34 HB2 GLN 34 5.108 -0.463 -1.877
212 HB3 GLN 34 HB3 GLN 34 4.957 0.751 -3.133
213 HG2 GLN 34 HG2 GLN 34 5.537 2.487 -1.565
214 HG3 GLN 34 HG3 GLN 34 5.597 1.309 -0.253
215 HE21 GLN 34 HE21 GLN 34 7.160 2.518 -3.051
216 HE22 GLN 34 HE22 GLN 34 8.666 1.710 -2.820
217 H CYS 35 H CYS 35 3.198 2.713 -0.249
218 HA CYS 35 HA CYS 35 1.598 4.411 -1.889
219 HB2 CYS 35 HB2 CYS 35 3.230 5.094 0.553
220 HB3 CYS 35 HB3 CYS 35 1.916 6.048 -0.131
221 H LEU 36 H LEU 36 2.355 5.280 -3.630
222 HA LEU 36 HA LEU 36 5.085 6.322 -3.708
223 HB2 LEU 36 HB2 LEU 36 3.464 4.997 -5.878
224 HB3 LEU 36 HB3 LEU 36 4.996 5.807 -6.134
225 HG LEU 36 HG LEU 36 4.699 3.420 -4.316
226 HD11 LEU 36 HD11 LEU 36 5.642 2.125 -6.133
227 HD12 LEU 36 HD12 LEU 36 5.604 3.541 -7.180
228 HD13 LEU 36 HD13 LEU 36 4.094 2.819 -6.619
229 HD21 LEU 36 HD21 LEU 36 6.641 4.777 -3.850
230 HD22 LEU 36 HD22 LEU 36 7.039 4.835 -5.562
231 HD23 LEU 36 HD23 LEU 36 7.155 3.310 -4.699
232 H1 MAN 101 H1 MAN 101 5.448 6.246 7.779
233 H2 MAN 101 H2 MAN 101 3.431 5.905 9.184
234 H3 MAN 101 H3 MAN 101 2.306 8.001 8.714
235 H4 MAN 101 H4 MAN 101 4.598 9.272 10.266
236 H5 MAN 101 H5 MAN 101 3.747 9.486 7.336
237 H61 MAN 101 H61 MAN 101 4.694 11.558 8.244
238 H62 MAN 101 H62 MAN 101 5.768 10.828 7.027
239 HO2 MAN 101 HO2 MAN 101 4.498 6.553 11.103
240 HO3 MAN 101 HO3 MAN 101 3.161 7.887 11.451
241 HO4 MAN 101 HO4 MAN 101 2.513 10.196 10.561
242 HO6 MAN 101 HO6 MAN 101 6.163 11.321 9.700
Start of MODEL 15
1 H1 THR 1 H1 THR 1 -3.368 5.207 9.057
2 H2 THR 1 H2 THR 1 -3.851 6.852 9.128
3 H3 THR 1 H3 THR 1 -2.248 6.422 9.363
4 HA THR 1 HA THR 1 -3.648 6.039 6.833
5 HB THR 1 HB THR 1 -1.572 8.139 7.535
6 HG1 THR 1 HG1 THR 1 -3.054 9.276 8.470
7 HG21 THR 1 HG21 THR 1 -2.029 7.683 5.140
8 HG22 THR 1 HG22 THR 1 -2.537 9.305 5.606
9 HG23 THR 1 HG23 THR 1 -3.737 8.027 5.416
10 H GLN 2 H GLN 2 -1.908 5.644 5.145
11 HA GLN 2 HA GLN 2 0.507 4.487 6.314
12 HB2 GLN 2 HB2 GLN 2 -0.978 2.860 5.100
13 HB3 GLN 2 HB3 GLN 2 -0.813 3.844 3.651
14 HG2 GLN 2 HG2 GLN 2 0.649 1.897 3.587
15 HG3 GLN 2 HG3 GLN 2 1.572 3.398 3.599
16 HE21 GLN 2 HE21 GLN 2 0.745 0.561 5.324
17 HE22 GLN 2 HE22 GLN 2 1.875 0.706 6.607
18 H SER 3 H SER 3 2.471 4.996 5.039
19 HA SER 3 HA SER 3 2.065 7.413 3.457
20 HB2 SER 3 HB2 SER 3 2.757 7.979 5.781
21 HB3 SER 3 HB3 SER 3 4.235 7.046 5.537
22 H HIS 4 H HIS 4 4.460 7.982 2.563
23 HA HIS 4 HA HIS 4 4.992 6.301 0.461
24 HB2 HIS 4 HB2 HIS 4 5.796 8.614 0.573
25 HB3 HIS 4 HB3 HIS 4 6.902 8.181 1.868
26 HD1 HIS 4 HD1 HIS 4 9.238 7.716 1.114
27 HD2 HIS 4 HD2 HIS 4 6.479 7.181 -1.940
28 HE1 HIS 4 HE1 HIS 4 10.579 7.174 -0.905
29 HE2 HIS 4 HE2 HIS 4 8.920 7.200 -2.773
30 H ALA 5 H ALA 5 6.062 4.505 0.151
31 HA ALA 5 HA ALA 5 7.414 2.746 0.328
32 HB1 ALA 5 HB1 ALA 5 8.735 4.059 2.705
33 HB2 ALA 5 HB2 ALA 5 9.212 4.299 1.026
34 HB3 ALA 5 HB3 ALA 5 9.368 2.705 1.764
35 H GLY 6 H GLY 6 5.022 3.439 2.285
36 HA2 GLY 6 HA2 GLY 6 5.314 1.078 3.969
37 HA3 GLY 6 HA3 GLY 6 4.061 2.308 4.088
38 H GLN 7 H GLN 7 3.609 -0.522 3.960
39 HA GLN 7 HA GLN 7 2.691 -1.082 1.290
40 HB2 GLN 7 HB2 GLN 7 3.593 -2.838 2.871
41 HB3 GLN 7 HB3 GLN 7 2.140 -2.620 3.834
42 HG2 GLN 7 HG2 GLN 7 0.772 -3.322 1.948
43 HG3 GLN 7 HG3 GLN 7 2.208 -3.542 0.958
44 HE21 GLN 7 HE21 GLN 7 0.279 -5.547 1.568
45 HE22 GLN 7 HE22 GLN 7 1.122 -6.755 2.463
46 H CYS 8 H CYS 8 0.855 -0.308 0.593
47 HA CYS 8 HA CYS 8 -1.002 0.882 2.487
48 HB2 CYS 8 HB2 CYS 8 -2.083 1.746 0.467
49 HB3 CYS 8 HB3 CYS 8 -0.413 2.272 0.692
50 H GLY 9 H GLY 9 -0.874 -1.934 0.488
51 HA2 GLY 9 HA2 GLY 9 -2.976 -3.199 1.622
52 HA3 GLY 9 HA3 GLY 9 -3.763 -2.105 0.499
53 H GLY 10 H GLY 10 -1.803 -4.838 0.901
54 HA2 GLY 10 HA2 GLY 10 -2.300 -5.506 -1.897
55 HA3 GLY 10 HA3 GLY 10 -0.935 -6.135 -0.965
56 H ILE 11 H ILE 11 -2.316 -8.095 -1.942
57 HA ILE 11 HA ILE 11 -4.612 -8.877 -0.502
58 HB ILE 11 HB ILE 11 -2.566 -10.697 -1.832
59 HG12 ILE 11 HG12 ILE 11 -5.062 -9.456 -3.034
60 HG13 ILE 11 HG13 ILE 11 -3.420 -8.922 -3.363
61 HG21 ILE 11 HG21 ILE 11 -5.496 -11.129 -1.199
62 HG22 ILE 11 HG22 ILE 11 -4.136 -11.878 -0.365
63 HG23 ILE 11 HG23 ILE 11 -4.451 -12.263 -2.057
64 HD11 ILE 11 HD11 ILE 11 -2.914 -11.087 -4.372
65 HD12 ILE 11 HD12 ILE 11 -4.290 -10.313 -5.162
66 HD13 ILE 11 HD13 ILE 11 -4.556 -11.633 -4.025
67 H GLY 12 H GLY 12 -4.639 -9.172 1.639
68 HA2 GLY 12 HA2 GLY 12 -4.028 -10.685 3.435
69 HA3 GLY 12 HA3 GLY 12 -2.359 -10.559 2.887
70 H TYR 13 H TYR 13 -3.510 -7.558 2.526
71 HA TYR 13 HA TYR 13 -2.506 -6.788 5.167
72 HB2 TYR 13 HB2 TYR 13 -1.335 -5.877 3.161
73 HB3 TYR 13 HB3 TYR 13 -2.839 -5.116 2.666
74 HD1 TYR 13 HD1 TYR 13 -0.227 -5.131 5.281
75 HD2 TYR 13 HD2 TYR 13 -3.466 -3.001 3.545
76 HE1 TYR 13 HE1 TYR 13 0.397 -3.135 6.575
77 HE2 TYR 13 HE2 TYR 13 -2.851 -1.013 4.821
78 HH TYR 13 HH TYR 13 -1.660 -0.323 6.588
79 H SER 14 H SER 14 -3.860 -5.909 6.608
80 HA SER 14 HA SER 14 -6.490 -5.032 5.674
81 HB2 SER 14 HB2 SER 14 -7.267 -6.087 7.913
82 HB3 SER 14 HB3 SER 14 -6.945 -7.123 6.519
83 HG SER 14 HG SER 14 -5.527 -8.075 7.624
84 H GLY 15 H GLY 15 -3.779 -3.941 6.992
85 HA2 GLY 15 HA2 GLY 15 -4.834 -2.356 9.169
86 HA3 GLY 15 HA3 GLY 15 -3.216 -2.248 8.488
87 HA PRO 16 HA PRO 16 -5.326 1.655 7.223
88 HB2 PRO 16 HB2 PRO 16 -2.964 3.062 6.933
89 HB3 PRO 16 HB3 PRO 16 -3.904 2.980 8.424
90 HG2 PRO 16 HG2 PRO 16 -1.488 1.425 7.622
91 HG3 PRO 16 HG3 PRO 16 -1.913 2.111 9.200
92 HD2 PRO 16 HD2 PRO 16 -2.195 -0.503 8.653
93 HD3 PRO 16 HD3 PRO 16 -3.320 0.355 9.726
94 H THR 17 H THR 17 -6.006 1.439 5.181
95 HA THR 17 HA THR 17 -4.167 0.608 3.099
96 HB THR 17 HB THR 17 -6.425 0.546 1.818
97 HG1 THR 17 HG1 THR 17 -8.180 0.738 2.975
98 HG21 THR 17 HG21 THR 17 -5.165 -1.456 2.505
99 HG22 THR 17 HG22 THR 17 -6.896 -1.702 2.737
100 HG23 THR 17 HG23 THR 17 -5.864 -1.346 4.119
101 H VAL 18 H VAL 18 -5.526 3.470 4.222
102 HA VAL 18 HA VAL 18 -5.371 4.702 1.608
103 HB VAL 18 HB VAL 18 -7.308 5.310 2.993
104 HG11 VAL 18 HG11 VAL 18 -6.385 5.070 5.202
105 HG12 VAL 18 HG12 VAL 18 -7.077 6.679 5.015
106 HG13 VAL 18 HG13 VAL 18 -5.330 6.457 4.944
107 HG21 VAL 18 HG21 VAL 18 -7.149 7.768 2.850
108 HG22 VAL 18 HG22 VAL 18 -6.545 6.964 1.399
109 HG23 VAL 18 HG23 VAL 18 -5.412 7.619 2.583
110 H CYS 19 H CYS 19 -3.715 5.825 0.906
111 HA CYS 19 HA CYS 19 -1.381 6.165 2.584
112 HB2 CYS 19 HB2 CYS 19 -1.824 6.879 -0.333
113 HB3 CYS 19 HB3 CYS 19 -0.290 6.915 0.521
114 H ALA 20 H ALA 20 -0.439 8.179 2.939
115 HA ALA 20 HA ALA 20 -2.077 10.392 3.420
116 HB1 ALA 20 HB1 ALA 20 0.038 11.647 3.637
117 HB2 ALA 20 HB2 ALA 20 0.905 10.299 2.904
118 HB3 ALA 20 HB3 ALA 20 0.122 10.092 4.469
119 H SER 21 H SER 21 -2.896 11.894 2.052
120 HA SER 21 HA SER 21 -2.851 11.574 -0.666
121 HB2 SER 21 HB2 SER 21 -3.439 14.083 0.904
122 HB3 SER 21 HB3 SER 21 -3.952 13.748 -0.754
123 HG SER 21 HG SER 21 -5.230 12.096 -0.039
124 H GLY 22 H GLY 22 -1.655 12.278 -2.298
125 HA2 GLY 22 HA2 GLY 22 0.045 13.700 -3.234
126 HA3 GLY 22 HA3 GLY 22 0.805 13.743 -1.637
127 H THR 23 H THR 23 0.061 10.836 -1.270
128 HA THR 23 HA THR 23 1.926 9.668 -3.186
129 HB THR 23 HB THR 23 2.439 7.893 -1.522
130 HG1 THR 23 HG1 THR 23 0.649 9.394 0.078
131 HG21 THR 23 HG21 THR 23 3.834 9.220 -0.010
132 HG22 THR 23 HG22 THR 23 2.961 10.680 -0.490
133 HG23 THR 23 HG23 THR 23 3.935 9.804 -1.673
134 H THR 24 H THR 24 1.325 7.695 -4.099
135 HA THR 24 HA THR 24 -1.537 7.176 -3.811
136 HB THR 24 HB THR 24 -1.388 6.334 -6.192
137 HG1 THR 24 HG1 THR 24 1.266 7.164 -5.801
138 HG21 THR 24 HG21 THR 24 -1.436 8.579 -7.184
139 HG22 THR 24 HG22 THR 24 -0.673 9.234 -5.735
140 HG23 THR 24 HG23 THR 24 -2.292 8.548 -5.641
141 H CYS 25 H CYS 25 -2.230 5.085 -3.710
142 HA CYS 25 HA CYS 25 -0.314 3.168 -2.769
143 HB2 CYS 25 HB2 CYS 25 -2.534 3.304 -1.733
144 HB3 CYS 25 HB3 CYS 25 -3.290 2.916 -3.272
145 H GLN 26 H GLN 26 0.997 2.457 -4.359
146 HA GLN 26 HA GLN 26 -0.252 1.603 -6.855
147 HB2 GLN 26 HB2 GLN 26 2.643 2.196 -6.237
148 HB3 GLN 26 HB3 GLN 26 2.017 1.707 -7.806
149 HG2 GLN 26 HG2 GLN 26 0.628 3.746 -7.850
150 HG3 GLN 26 HG3 GLN 26 1.355 4.243 -6.327
151 HE21 GLN 26 HE21 GLN 26 2.207 6.100 -7.209
152 HE22 GLN 26 HE22 GLN 26 3.543 6.082 -8.303
153 H VAL 27 H VAL 27 -0.367 -0.448 -7.323
154 HA VAL 27 HA VAL 27 0.563 -2.392 -5.435
155 HB VAL 27 HB VAL 27 -0.773 -2.802 -8.131
156 HG11 VAL 27 HG11 VAL 27 0.370 -4.793 -7.394
157 HG12 VAL 27 HG12 VAL 27 -1.374 -5.018 -7.232
158 HG13 VAL 27 HG13 VAL 27 -0.391 -4.675 -5.811
159 HG21 VAL 27 HG21 VAL 27 -2.856 -3.109 -6.858
160 HG22 VAL 27 HG22 VAL 27 -2.195 -1.487 -6.653
161 HG23 VAL 27 HG23 VAL 27 -2.002 -2.684 -5.373
162 H LEU 28 H LEU 28 2.575 -3.090 -5.491
163 HA LEU 28 HA LEU 28 4.112 -2.814 -7.955
164 HB2 LEU 28 HB2 LEU 28 5.039 -3.542 -5.163
165 HB3 LEU 28 HB3 LEU 28 6.072 -3.206 -6.533
166 HG LEU 28 HG LEU 28 4.318 -1.228 -5.087
167 HD11 LEU 28 HD11 LEU 28 7.309 -1.527 -5.239
168 HD12 LEU 28 HD12 LEU 28 6.289 -1.846 -3.835
169 HD13 LEU 28 HD13 LEU 28 6.448 -0.204 -4.455
170 HD21 LEU 28 HD21 LEU 28 6.179 -0.805 -7.424
171 HD22 LEU 28 HD22 LEU 28 5.350 0.467 -6.527
172 HD23 LEU 28 HD23 LEU 28 4.416 -0.696 -7.471
173 H ASN 29 H ASN 29 4.027 -5.132 -5.328
174 HA ASN 29 HA ASN 29 4.247 -7.332 -7.241
175 HB2 ASN 29 HB2 ASN 29 4.463 -7.348 -4.193
176 HB3 ASN 29 HB3 ASN 29 4.739 -8.709 -5.268
177 HD21 ASN 29 HD21 ASN 29 6.537 -7.364 -3.340
178 HD22 ASN 29 HD22 ASN 29 7.923 -6.926 -4.256
179 HA PRO 30 HA PRO 30 -0.045 -8.411 -6.869
180 HB2 PRO 30 HB2 PRO 30 0.626 -11.056 -5.675
181 HB3 PRO 30 HB3 PRO 30 -0.356 -10.685 -7.098
182 HG2 PRO 30 HG2 PRO 30 2.092 -11.674 -7.383
183 HG3 PRO 30 HG3 PRO 30 1.495 -10.401 -8.464
184 HD2 PRO 30 HD2 PRO 30 3.372 -10.205 -6.149
185 HD3 PRO 30 HD3 PRO 30 3.448 -9.372 -7.717
186 H TYR 31 H TYR 31 1.870 -9.319 -4.041
187 HA TYR 31 HA TYR 31 -0.482 -8.854 -2.357
188 HB2 TYR 31 HB2 TYR 31 2.138 -10.201 -1.630
189 HB3 TYR 31 HB3 TYR 31 0.747 -10.014 -0.575
190 HD1 TYR 31 HD1 TYR 31 -0.963 -11.619 -0.574
191 HD2 TYR 31 HD2 TYR 31 1.854 -11.609 -3.756
192 HE1 TYR 31 HE1 TYR 31 -1.879 -13.741 -1.396
193 HE2 TYR 31 HE2 TYR 31 0.955 -13.713 -4.583
194 HH TYR 31 HH TYR 31 -1.997 -14.983 -3.387
195 H TYR 32 H TYR 32 2.531 -7.467 -3.251
196 HA TYR 32 HA TYR 32 2.444 -5.770 -0.860
197 HB2 TYR 32 HB2 TYR 32 4.556 -7.044 -1.521
198 HB3 TYR 32 HB3 TYR 32 4.709 -5.881 -2.831
199 HD1 TYR 32 HD1 TYR 32 5.456 -3.610 -2.397
200 HD2 TYR 32 HD2 TYR 32 4.780 -6.337 0.796
201 HE1 TYR 32 HE1 TYR 32 6.645 -2.101 -0.852
202 HE2 TYR 32 HE2 TYR 32 5.951 -4.843 2.341
203 HH TYR 32 HH TYR 32 7.665 -3.139 2.177
204 H SER 33 H SER 33 1.349 -3.994 -1.179
205 HA SER 33 HA SER 33 1.699 -2.482 -3.674
206 HB2 SER 33 HB2 SER 33 -0.591 -2.340 -1.687
207 HB3 SER 33 HB3 SER 33 -0.522 -1.533 -3.250
208 HG SER 33 HG SER 33 -1.741 -3.587 -3.005
209 H GLN 34 H GLN 34 2.406 -0.335 -3.367
210 HA GLN 34 HA GLN 34 3.053 0.328 -0.579
211 HB2 GLN 34 HB2 GLN 34 4.958 -0.757 -1.731
212 HB3 GLN 34 HB3 GLN 34 4.917 0.513 -2.938
213 HG2 GLN 34 HG2 GLN 34 5.464 2.154 -1.226
214 HG3 GLN 34 HG3 GLN 34 5.492 0.876 -0.012
215 HE21 GLN 34 HE21 GLN 34 7.110 2.277 -2.703
216 HE22 GLN 34 HE22 GLN 34 8.604 1.448 -2.500
217 H CYS 35 H CYS 35 3.030 2.490 -0.098
218 HA CYS 35 HA CYS 35 1.648 4.221 -1.922
219 HB2 CYS 35 HB2 CYS 35 2.967 4.929 0.703
220 HB3 CYS 35 HB3 CYS 35 1.830 5.928 -0.187
221 H LEU 36 H LEU 36 2.550 5.214 -3.497
222 HA LEU 36 HA LEU 36 5.229 6.315 -3.234
223 HB2 LEU 36 HB2 LEU 36 3.936 5.063 -5.664
224 HB3 LEU 36 HB3 LEU 36 5.418 5.988 -5.717
225 HG LEU 36 HG LEU 36 5.061 3.376 -4.236
226 HD11 LEU 36 HD11 LEU 36 4.976 3.078 -6.661
227 HD12 LEU 36 HD12 LEU 36 6.486 2.452 -5.995
228 HD13 LEU 36 HD13 LEU 36 6.468 4.002 -6.830
229 HD21 LEU 36 HD21 LEU 36 7.517 3.465 -4.056
230 HD22 LEU 36 HD22 LEU 36 6.731 4.781 -3.189
231 HD23 LEU 36 HD23 LEU 36 7.495 5.086 -4.751
232 H1 MAN 101 H1 MAN 101 5.368 9.225 6.046
233 H2 MAN 101 H2 MAN 101 2.587 10.455 5.592
234 H3 MAN 101 H3 MAN 101 3.569 12.495 5.797
235 H4 MAN 101 H4 MAN 101 5.646 11.136 7.572
236 H5 MAN 101 H5 MAN 101 6.168 12.609 4.942
237 H61 MAN 101 H61 MAN 101 7.443 10.256 6.408
238 H62 MAN 101 H62 MAN 101 8.154 11.864 6.154
239 HO2 MAN 101 HO2 MAN 101 2.693 10.302 7.865
240 HO3 MAN 101 HO3 MAN 101 3.436 12.989 8.048
241 HO4 MAN 101 HO4 MAN 101 6.581 13.274 7.507
242 HO6 MAN 101 HO6 MAN 101 7.299 10.577 3.841
Start of MODEL 16
1 H1 THR 1 H1 THR 1 -3.683 6.394 9.154
2 H2 THR 1 H2 THR 1 -2.002 6.370 9.409
3 H3 THR 1 H3 THR 1 -2.811 4.970 8.948
4 HA THR 1 HA THR 1 -3.340 5.893 6.827
5 HB THR 1 HB THR 1 -1.702 8.279 7.689
6 HG1 THR 1 HG1 THR 1 -4.540 8.313 7.520
7 HG21 THR 1 HG21 THR 1 -1.955 7.903 5.268
8 HG22 THR 1 HG22 THR 1 -2.818 9.355 5.776
9 HG23 THR 1 HG23 THR 1 -3.707 7.867 5.458
10 H GLN 2 H GLN 2 -1.862 5.105 5.252
11 HA GLN 2 HA GLN 2 0.719 4.365 6.285
12 HB2 GLN 2 HB2 GLN 2 -0.647 2.795 4.885
13 HB3 GLN 2 HB3 GLN 2 -0.448 3.892 3.525
14 HG2 GLN 2 HG2 GLN 2 1.081 1.979 3.425
15 HG3 GLN 2 HG3 GLN 2 1.969 3.494 3.530
16 HE21 GLN 2 HE21 GLN 2 1.128 0.568 5.127
17 HE22 GLN 2 HE22 GLN 2 2.260 0.712 6.420
18 H SER 3 H SER 3 2.665 5.090 5.470
19 HA SER 3 HA SER 3 2.552 7.837 4.523
20 HB2 SER 3 HB2 SER 3 4.942 7.742 5.305
21 HB3 SER 3 HB3 SER 3 3.706 7.487 6.551
22 H HIS 4 H HIS 4 4.770 8.343 3.298
23 HA HIS 4 HA HIS 4 4.689 7.091 0.775
24 HB2 HIS 4 HB2 HIS 4 5.502 9.427 1.157
25 HB3 HIS 4 HB3 HIS 4 6.894 8.774 2.008
26 HD1 HIS 4 HD1 HIS 4 8.921 8.294 0.601
27 HD2 HIS 4 HD2 HIS 4 5.468 8.684 -1.672
28 HE1 HIS 4 HE1 HIS 4 9.673 8.266 -1.768
29 HE2 HIS 4 HE2 HIS 4 7.618 8.984 -3.015
30 H ALA 5 H ALA 5 5.555 5.264 0.175
31 HA ALA 5 HA ALA 5 6.587 3.329 0.147
32 HB1 ALA 5 HB1 ALA 5 8.658 4.665 -0.030
33 HB2 ALA 5 HB2 ALA 5 8.917 3.124 0.796
34 HB3 ALA 5 HB3 ALA 5 8.811 4.615 1.727
35 H GLY 6 H GLY 6 5.004 2.385 1.234
36 HA2 GLY 6 HA2 GLY 6 5.737 0.965 3.563
37 HA3 GLY 6 HA3 GLY 6 4.459 2.151 3.850
38 H GLN 7 H GLN 7 4.000 -0.672 3.940
39 HA GLN 7 HA GLN 7 2.803 -1.262 1.394
40 HB2 GLN 7 HB2 GLN 7 3.873 -3.092 2.632
41 HB3 GLN 7 HB3 GLN 7 2.723 -2.880 3.946
42 HG2 GLN 7 HG2 GLN 7 0.903 -3.559 2.565
43 HG3 GLN 7 HG3 GLN 7 1.902 -3.601 1.125
44 HE21 GLN 7 HE21 GLN 7 0.318 -5.701 2.262
45 HE22 GLN 7 HE22 GLN 7 1.384 -6.988 2.667
46 H CYS 8 H CYS 8 1.033 -0.393 0.876
47 HA CYS 8 HA CYS 8 -0.818 0.573 2.865
48 HB2 CYS 8 HB2 CYS 8 -2.017 1.374 0.726
49 HB3 CYS 8 HB3 CYS 8 -0.493 2.124 1.197
50 H GLY 9 H GLY 9 -0.984 -1.798 0.205
51 HA2 GLY 9 HA2 GLY 9 -2.964 -3.251 1.621
52 HA3 GLY 9 HA3 GLY 9 -3.720 -2.196 0.446
53 H GLY 10 H GLY 10 -1.682 -4.893 0.940
54 HA2 GLY 10 HA2 GLY 10 -2.161 -5.701 -1.844
55 HA3 GLY 10 HA3 GLY 10 -0.791 -6.256 -0.866
56 H ILE 11 H ILE 11 -2.201 -8.295 -1.816
57 HA ILE 11 HA ILE 11 -4.433 -9.071 -0.278
58 HB ILE 11 HB ILE 11 -2.341 -10.892 -1.542
59 HG12 ILE 11 HG12 ILE 11 -4.980 -9.908 -2.670
60 HG13 ILE 11 HG13 ILE 11 -3.394 -9.326 -3.158
61 HG21 ILE 11 HG21 ILE 11 -3.728 -12.065 0.107
62 HG22 ILE 11 HG22 ILE 11 -4.117 -12.600 -1.525
63 HG23 ILE 11 HG23 ILE 11 -5.188 -11.474 -0.690
64 HD11 ILE 11 HD11 ILE 11 -2.843 -11.567 -3.990
65 HD12 ILE 11 HD12 ILE 11 -4.274 -10.903 -4.773
66 HD13 ILE 11 HD13 ILE 11 -4.446 -12.129 -3.514
67 H GLY 12 H GLY 12 -4.524 -9.443 1.863
68 HA2 GLY 12 HA2 GLY 12 -3.772 -10.766 3.729
69 HA3 GLY 12 HA3 GLY 12 -2.120 -10.507 3.181
70 H TYR 13 H TYR 13 -3.195 -7.635 2.594
71 HA TYR 13 HA TYR 13 -2.731 -6.677 5.339
72 HB2 TYR 13 HB2 TYR 13 -0.980 -6.196 3.518
73 HB3 TYR 13 HB3 TYR 13 -2.185 -5.151 2.790
74 HD1 TYR 13 HD1 TYR 13 -2.971 -3.115 4.044
75 HD2 TYR 13 HD2 TYR 13 0.274 -5.501 5.388
76 HE1 TYR 13 HE1 TYR 13 -2.242 -1.288 5.507
77 HE2 TYR 13 HE2 TYR 13 1.011 -3.688 6.863
78 HH TYR 13 HH TYR 13 0.789 -1.252 6.952
79 H SER 14 H SER 14 -4.494 -5.718 6.184
80 HA SER 14 HA SER 14 -6.299 -4.301 4.374
81 HB2 SER 14 HB2 SER 14 -8.237 -5.266 5.727
82 HB3 SER 14 HB3 SER 14 -7.400 -6.362 4.626
83 HG SER 14 HG SER 14 -6.814 -6.145 7.398
84 H GLY 15 H GLY 15 -4.246 -3.718 6.516
85 HA2 GLY 15 HA2 GLY 15 -5.668 -2.265 8.560
86 HA3 GLY 15 HA3 GLY 15 -3.939 -2.224 8.255
87 HA PRO 16 HA PRO 16 -5.113 1.907 6.783
88 HB2 PRO 16 HB2 PRO 16 -2.534 2.798 6.497
89 HB3 PRO 16 HB3 PRO 16 -3.428 2.870 8.018
90 HG2 PRO 16 HG2 PRO 16 -1.393 0.881 7.107
91 HG3 PRO 16 HG3 PRO 16 -1.622 1.588 8.715
92 HD2 PRO 16 HD2 PRO 16 -2.456 -0.907 8.088
93 HD3 PRO 16 HD3 PRO 16 -3.316 0.117 9.252
94 H THR 17 H THR 17 -5.898 0.965 4.814
95 HA THR 17 HA THR 17 -4.011 0.427 2.706
96 HB THR 17 HB THR 17 -6.083 -0.019 1.337
97 HG1 THR 17 HG1 THR 17 -8.039 0.126 2.253
98 HG21 THR 17 HG21 THR 17 -5.870 -1.486 3.976
99 HG22 THR 17 HG22 THR 17 -4.939 -1.840 2.523
100 HG23 THR 17 HG23 THR 17 -6.687 -2.094 2.533
101 H VAL 18 H VAL 18 -5.109 3.103 3.997
102 HA VAL 18 HA VAL 18 -5.345 4.575 1.501
103 HB VAL 18 HB VAL 18 -7.203 4.968 3.054
104 HG11 VAL 18 HG11 VAL 18 -5.139 5.877 5.042
105 HG12 VAL 18 HG12 VAL 18 -6.152 4.437 5.153
106 HG13 VAL 18 HG13 VAL 18 -6.884 6.037 5.227
107 HG21 VAL 18 HG21 VAL 18 -5.370 7.361 2.894
108 HG22 VAL 18 HG22 VAL 18 -7.095 7.424 3.253
109 HG23 VAL 18 HG23 VAL 18 -6.546 6.860 1.678
110 H CYS 19 H CYS 19 -3.782 5.857 0.897
111 HA CYS 19 HA CYS 19 -1.369 5.976 2.518
112 HB2 CYS 19 HB2 CYS 19 -1.842 6.819 -0.358
113 HB3 CYS 19 HB3 CYS 19 -0.294 6.783 0.475
114 H ALA 20 H ALA 20 -0.334 7.917 2.961
115 HA ALA 20 HA ALA 20 -1.840 10.124 3.682
116 HB1 ALA 20 HB1 ALA 20 0.324 11.312 3.852
117 HB2 ALA 20 HB2 ALA 20 1.096 10.015 2.939
118 HB3 ALA 20 HB3 ALA 20 0.434 9.692 4.535
119 H SER 21 H SER 21 -2.564 11.891 2.595
120 HA SER 21 HA SER 21 -2.901 11.734 -0.128
121 HB2 SER 21 HB2 SER 21 -3.589 14.204 0.102
122 HB3 SER 21 HB3 SER 21 -4.484 13.000 1.030
123 HG SER 21 HG SER 21 -4.033 14.516 2.466
124 H GLY 22 H GLY 22 -1.864 12.275 -1.862
125 HA2 GLY 22 HA2 GLY 22 -0.323 13.709 -3.033
126 HA3 GLY 22 HA3 GLY 22 0.644 13.771 -1.560
127 H THR 23 H THR 23 -0.275 10.733 -1.425
128 HA THR 23 HA THR 23 1.656 9.758 -3.387
129 HB THR 23 HB THR 23 2.382 8.001 -1.791
130 HG1 THR 23 HG1 THR 23 0.614 9.367 -0.029
131 HG21 THR 23 HG21 THR 23 2.732 10.797 -0.705
132 HG22 THR 23 HG22 THR 23 3.714 10.041 -1.956
133 HG23 THR 23 HG23 THR 23 3.744 9.407 -0.308
134 H THR 24 H THR 24 1.156 7.723 -4.308
135 HA THR 24 HA THR 24 -1.632 6.972 -3.867
136 HB THR 24 HB THR 24 -1.505 6.051 -6.249
137 HG1 THR 24 HG1 THR 24 1.070 6.843 -6.031
138 HG21 THR 24 HG21 THR 24 -2.696 8.117 -5.724
139 HG22 THR 24 HG22 THR 24 -1.883 8.256 -7.284
140 HG23 THR 24 HG23 THR 24 -1.195 9.032 -5.861
141 H CYS 25 H CYS 25 -2.164 4.829 -3.593
142 HA CYS 25 HA CYS 25 -0.054 3.116 -2.705
143 HB2 CYS 25 HB2 CYS 25 -2.283 3.051 -1.637
144 HB3 CYS 25 HB3 CYS 25 -2.992 2.519 -3.155
145 H GLN 26 H GLN 26 1.281 2.400 -4.206
146 HA GLN 26 HA GLN 26 0.269 1.593 -6.796
147 HB2 GLN 26 HB2 GLN 26 3.067 1.811 -5.699
148 HB3 GLN 26 HB3 GLN 26 2.659 1.307 -7.331
149 HG2 GLN 26 HG2 GLN 26 1.951 3.988 -6.165
150 HG3 GLN 26 HG3 GLN 26 3.387 3.666 -7.129
151 HE21 GLN 26 HE21 GLN 26 2.782 5.069 -8.706
152 HE22 GLN 26 HE22 GLN 26 1.528 4.737 -9.833
153 H VAL 27 H VAL 27 -0.446 -0.303 -6.962
154 HA VAL 27 HA VAL 27 0.355 -2.465 -5.247
155 HB VAL 27 HB VAL 27 -1.217 -2.591 -7.845
156 HG11 VAL 27 HG11 VAL 27 -2.119 -4.695 -6.951
157 HG12 VAL 27 HG12 VAL 27 -1.073 -4.535 -5.539
158 HG13 VAL 27 HG13 VAL 27 -0.363 -4.759 -7.137
159 HG21 VAL 27 HG21 VAL 27 -2.265 -2.335 -5.028
160 HG22 VAL 27 HG22 VAL 27 -3.240 -2.481 -6.500
161 HG23 VAL 27 HG23 VAL 27 -2.223 -1.058 -6.241
162 H LEU 28 H LEU 28 2.414 -3.034 -5.496
163 HA LEU 28 HA LEU 28 3.605 -3.015 -8.132
164 HB2 LEU 28 HB2 LEU 28 4.832 -3.712 -5.452
165 HB3 LEU 28 HB3 LEU 28 5.704 -3.490 -6.956
166 HG LEU 28 HG LEU 28 4.227 -1.351 -5.418
167 HD11 LEU 28 HD11 LEU 28 6.287 -2.019 -4.346
168 HD12 LEU 28 HD12 LEU 28 6.435 -0.406 -5.039
169 HD13 LEU 28 HD13 LEU 28 7.168 -1.787 -5.855
170 HD21 LEU 28 HD21 LEU 28 4.082 -0.912 -7.798
171 HD22 LEU 28 HD22 LEU 28 5.818 -1.160 -7.976
172 HD23 LEU 28 HD23 LEU 28 5.211 0.215 -7.049
173 H ASN 29 H ASN 29 3.683 -5.302 -5.467
174 HA ASN 29 HA ASN 29 3.477 -7.492 -7.394
175 HB2 ASN 29 HB2 ASN 29 4.115 -7.557 -4.418
176 HB3 ASN 29 HB3 ASN 29 4.079 -8.957 -5.480
177 HD21 ASN 29 HD21 ASN 29 6.258 -7.968 -3.886
178 HD22 ASN 29 HD22 ASN 29 7.546 -7.616 -4.978
179 HA PRO 30 HA PRO 30 -0.784 -8.235 -6.311
180 HB2 PRO 30 HB2 PRO 30 -0.154 -10.997 -5.399
181 HB3 PRO 30 HB3 PRO 30 -1.300 -10.464 -6.630
182 HG2 PRO 30 HG2 PRO 30 0.987 -11.624 -7.344
183 HG3 PRO 30 HG3 PRO 30 0.350 -10.246 -8.261
184 HD2 PRO 30 HD2 PRO 30 2.547 -10.328 -6.242
185 HD3 PRO 30 HD3 PRO 30 2.470 -9.439 -7.779
186 H TYR 31 H TYR 31 1.608 -9.312 -3.999
187 HA TYR 31 HA TYR 31 -0.309 -8.969 -1.811
188 HB2 TYR 31 HB2 TYR 31 2.440 -10.223 -1.861
189 HB3 TYR 31 HB3 TYR 31 1.455 -10.055 -0.421
190 HD1 TYR 31 HD1 TYR 31 1.677 -11.735 -3.715
191 HD2 TYR 31 HD2 TYR 31 -0.298 -11.601 0.046
192 HE1 TYR 31 HE1 TYR 31 0.631 -13.896 -4.198
193 HE2 TYR 31 HE2 TYR 31 -1.358 -13.763 -0.432
194 HH TYR 31 HH TYR 31 -0.342 -15.788 -2.893
195 H TYR 32 H TYR 32 2.499 -7.479 -3.236
196 HA TYR 32 HA TYR 32 2.716 -5.770 -0.884
197 HB2 TYR 32 HB2 TYR 32 4.798 -6.960 -1.438
198 HB3 TYR 32 HB3 TYR 32 4.829 -6.166 -3.008
199 HD1 TYR 32 HD1 TYR 32 4.843 -5.483 0.640
200 HD2 TYR 32 HD2 TYR 32 5.852 -4.056 -3.239
201 HE1 TYR 32 HE1 TYR 32 6.034 -3.593 1.650
202 HE2 TYR 32 HE2 TYR 32 7.048 -2.158 -2.229
203 HH TYR 32 HH TYR 32 7.787 -2.052 1.076
204 H SER 33 H SER 33 1.745 -3.926 -1.025
205 HA SER 33 HA SER 33 1.868 -2.439 -3.548
206 HB2 SER 33 HB2 SER 33 -0.306 -2.342 -1.424
207 HB3 SER 33 HB3 SER 33 -0.296 -1.436 -2.943
208 HG SER 33 HG SER 33 -1.531 -3.506 -2.803
209 H GLN 34 H GLN 34 2.590 -0.298 -3.341
210 HA GLN 34 HA GLN 34 3.521 0.490 -0.645
211 HB2 GLN 34 HB2 GLN 34 5.314 -0.535 -2.017
212 HB3 GLN 34 HB3 GLN 34 5.051 0.699 -3.241
213 HG2 GLN 34 HG2 GLN 34 5.746 2.406 -1.635
214 HG3 GLN 34 HG3 GLN 34 6.024 1.154 -0.429
215 HE21 GLN 34 HE21 GLN 34 7.745 -0.317 -0.739
216 HE22 GLN 34 HE22 GLN 34 9.039 0.060 -1.814
217 H CYS 35 H CYS 35 3.050 2.592 -0.130
218 HA CYS 35 HA CYS 35 1.605 4.252 -1.957
219 HB2 CYS 35 HB2 CYS 35 2.807 4.987 0.711
220 HB3 CYS 35 HB3 CYS 35 1.617 5.929 -0.181
221 H LEU 36 H LEU 36 2.548 5.184 -3.608
222 HA LEU 36 HA LEU 36 4.959 6.758 -3.179
223 HB2 LEU 36 HB2 LEU 36 4.293 5.034 -5.566
224 HB3 LEU 36 HB3 LEU 36 5.612 6.186 -5.509
225 HG LEU 36 HG LEU 36 5.382 3.727 -3.770
226 HD11 LEU 36 HD11 LEU 36 7.206 2.864 -5.132
227 HD12 LEU 36 HD12 LEU 36 7.124 4.295 -6.161
228 HD13 LEU 36 HD13 LEU 36 5.768 3.169 -6.103
229 HD21 LEU 36 HD21 LEU 36 7.708 4.237 -3.167
230 HD22 LEU 36 HD22 LEU 36 6.617 5.528 -2.675
231 HD23 LEU 36 HD23 LEU 36 7.626 5.724 -4.112
232 H1 MAN 101 H1 MAN 101 6.440 6.532 6.798
233 H2 MAN 101 H2 MAN 101 5.417 3.707 7.173
234 H3 MAN 101 H3 MAN 101 6.196 3.847 9.335
235 H4 MAN 101 H4 MAN 101 7.860 6.252 8.424
236 H5 MAN 101 H5 MAN 101 5.359 6.258 10.229
237 H61 MAN 101 H61 MAN 101 6.808 8.275 8.468
238 H62 MAN 101 H62 MAN 101 6.544 8.367 10.221
239 HO2 MAN 101 HO2 MAN 101 6.798 4.235 5.385
240 HO3 MAN 101 HO3 MAN 101 8.596 4.096 7.845
241 HO4 MAN 101 HO4 MAN 101 8.706 5.151 10.186
242 HO6 MAN 101 HO6 MAN 101 4.195 8.039 8.799
Start of MODEL 17
1 H1 THR 1 H1 THR 1 -3.589 7.045 8.944
2 H2 THR 1 H2 THR 1 -1.866 6.945 8.995
3 H3 THR 1 H3 THR 1 -2.788 5.564 8.949
4 HA THR 1 HA THR 1 -3.511 5.895 6.798
5 HB THR 1 HB THR 1 -3.581 8.475 7.011
6 HG1 THR 1 HG1 THR 1 -3.760 8.452 4.916
7 HG21 THR 1 HG21 THR 1 -1.247 8.742 7.816
8 HG22 THR 1 HG22 THR 1 -1.589 9.722 6.389
9 HG23 THR 1 HG23 THR 1 -0.669 8.223 6.232
10 H GLN 2 H GLN 2 -1.999 5.466 4.905
11 HA GLN 2 HA GLN 2 0.452 4.443 6.044
12 HB2 GLN 2 HB2 GLN 2 -1.019 2.909 4.702
13 HB3 GLN 2 HB3 GLN 2 -0.672 3.899 3.288
14 HG2 GLN 2 HG2 GLN 2 0.733 1.896 3.358
15 HG3 GLN 2 HG3 GLN 2 1.692 3.372 3.464
16 HE21 GLN 2 HE21 GLN 2 0.596 0.571 5.119
17 HE22 GLN 2 HE22 GLN 2 1.590 0.686 6.511
18 H SER 3 H SER 3 2.375 5.055 5.407
19 HA SER 3 HA SER 3 2.577 7.716 4.282
20 HB2 SER 3 HB2 SER 3 4.838 7.509 5.276
21 HB3 SER 3 HB3 SER 3 3.533 7.209 6.448
22 H HIS 4 H HIS 4 4.646 8.024 3.003
23 HA HIS 4 HA HIS 4 4.695 6.632 0.603
24 HB2 HIS 4 HB2 HIS 4 5.597 8.908 0.951
25 HB3 HIS 4 HB3 HIS 4 6.906 8.231 1.909
26 HD1 HIS 4 HD1 HIS 4 8.959 7.531 0.662
27 HD2 HIS 4 HD2 HIS 4 5.726 8.215 -1.847
28 HE1 HIS 4 HE1 HIS 4 9.872 7.417 -1.666
29 HE2 HIS 4 HE2 HIS 4 7.972 8.212 -3.086
30 H ALA 5 H ALA 5 5.680 4.845 -0.073
31 HA ALA 5 HA ALA 5 6.929 3.001 -0.250
32 HB1 ALA 5 HB1 ALA 5 8.881 4.452 0.181
33 HB2 ALA 5 HB2 ALA 5 9.117 2.817 0.811
34 HB3 ALA 5 HB3 ALA 5 8.710 4.136 1.906
35 H GLY 6 H GLY 6 4.911 3.506 2.103
36 HA2 GLY 6 HA2 GLY 6 5.549 1.087 3.607
37 HA3 GLY 6 HA3 GLY 6 4.276 2.250 3.992
38 H GLN 7 H GLN 7 3.929 -0.583 3.845
39 HA GLN 7 HA GLN 7 2.799 -1.323 1.327
40 HB2 GLN 7 HB2 GLN 7 3.701 -3.004 2.884
41 HB3 GLN 7 HB3 GLN 7 2.464 -2.586 4.057
42 HG2 GLN 7 HG2 GLN 7 0.736 -3.409 2.547
43 HG3 GLN 7 HG3 GLN 7 1.942 -3.839 1.340
44 HE21 GLN 7 HE21 GLN 7 1.505 -6.138 1.435
45 HE22 GLN 7 HE22 GLN 7 1.902 -7.016 2.853
46 H CYS 8 H CYS 8 1.052 -0.420 0.576
47 HA CYS 8 HA CYS 8 -0.886 0.733 2.409
48 HB2 CYS 8 HB2 CYS 8 -1.868 1.707 0.407
49 HB3 CYS 8 HB3 CYS 8 -0.183 2.164 0.667
50 H GLY 9 H GLY 9 -0.745 -1.924 0.107
51 HA2 GLY 9 HA2 GLY 9 -3.159 -3.007 1.086
52 HA3 GLY 9 HA3 GLY 9 -3.513 -2.029 -0.325
53 H GLY 10 H GLY 10 -1.764 -4.765 0.861
54 HA2 GLY 10 HA2 GLY 10 -1.771 -5.821 -1.879
55 HA3 GLY 10 HA3 GLY 10 -0.631 -6.312 -0.624
56 H ILE 11 H ILE 11 -2.138 -8.217 -1.892
57 HA ILE 11 HA ILE 11 -4.520 -8.881 -0.571
58 HB ILE 11 HB ILE 11 -2.454 -10.725 -1.838
59 HG12 ILE 11 HG12 ILE 11 -5.033 -9.604 -2.970
60 HG13 ILE 11 HG13 ILE 11 -3.420 -9.023 -3.366
61 HG21 ILE 11 HG21 ILE 11 -3.900 -11.975 -0.317
62 HG22 ILE 11 HG22 ILE 11 -4.277 -12.383 -1.990
63 HG23 ILE 11 HG23 ILE 11 -5.331 -11.292 -1.090
64 HD11 ILE 11 HD11 ILE 11 -4.513 -11.769 -3.946
65 HD12 ILE 11 HD12 ILE 11 -2.889 -11.204 -4.344
66 HD13 ILE 11 HD13 ILE 11 -4.296 -10.463 -5.113
67 H GLY 12 H GLY 12 -4.796 -9.275 1.505
68 HA2 GLY 12 HA2 GLY 12 -4.399 -10.740 3.383
69 HA3 GLY 12 HA3 GLY 12 -2.699 -10.764 2.933
70 H TYR 13 H TYR 13 -3.348 -7.696 2.440
71 HA TYR 13 HA TYR 13 -2.560 -6.975 5.148
72 HB2 TYR 13 HB2 TYR 13 -1.125 -6.113 3.371
73 HB3 TYR 13 HB3 TYR 13 -2.506 -5.388 2.568
74 HD1 TYR 13 HD1 TYR 13 -3.091 -3.193 3.033
75 HD2 TYR 13 HD2 TYR 13 -0.520 -5.221 5.732
76 HE1 TYR 13 HE1 TYR 13 -2.695 -1.093 4.206
77 HE2 TYR 13 HE2 TYR 13 -0.109 -3.097 6.928
78 HH TYR 13 HH TYR 13 -1.929 -0.205 6.075
79 H SER 14 H SER 14 -4.149 -6.616 6.451
80 HA SER 14 HA SER 14 -6.677 -5.531 5.520
81 HB2 SER 14 HB2 SER 14 -7.276 -6.439 7.876
82 HB3 SER 14 HB3 SER 14 -6.966 -7.584 6.570
83 HG SER 14 HG SER 14 -5.604 -8.362 7.955
84 H GLY 15 H GLY 15 -3.955 -4.263 6.577
85 HA2 GLY 15 HA2 GLY 15 -4.855 -2.699 8.833
86 HA3 GLY 15 HA3 GLY 15 -3.305 -2.559 8.013
87 HA PRO 16 HA PRO 16 -5.811 1.252 6.940
88 HB2 PRO 16 HB2 PRO 16 -3.595 2.885 7.024
89 HB3 PRO 16 HB3 PRO 16 -4.650 2.582 8.410
90 HG2 PRO 16 HG2 PRO 16 -2.042 1.292 7.707
91 HG3 PRO 16 HG3 PRO 16 -2.608 1.872 9.283
92 HD2 PRO 16 HD2 PRO 16 -2.658 -0.708 8.665
93 HD3 PRO 16 HD3 PRO 16 -3.976 0.024 9.605
94 H THR 17 H THR 17 -6.182 1.317 4.816
95 HA THR 17 HA THR 17 -4.050 0.592 2.974
96 HB THR 17 HB THR 17 -6.073 0.380 1.422
97 HG1 THR 17 HG1 THR 17 -7.747 1.246 2.412
98 HG21 THR 17 HG21 THR 17 -5.811 -1.426 3.844
99 HG22 THR 17 HG22 THR 17 -4.897 -1.565 2.342
100 HG23 THR 17 HG23 THR 17 -6.637 -1.851 2.345
101 H VAL 18 H VAL 18 -5.747 3.340 4.017
102 HA VAL 18 HA VAL 18 -5.551 4.701 1.490
103 HB VAL 18 HB VAL 18 -7.369 5.253 3.103
104 HG11 VAL 18 HG11 VAL 18 -6.163 5.116 5.207
105 HG12 VAL 18 HG12 VAL 18 -6.950 6.682 5.040
106 HG13 VAL 18 HG13 VAL 18 -5.214 6.537 4.769
107 HG21 VAL 18 HG21 VAL 18 -5.580 7.569 2.389
108 HG22 VAL 18 HG22 VAL 18 -7.288 7.693 2.824
109 HG23 VAL 18 HG23 VAL 18 -6.809 6.837 1.360
110 H CYS 19 H CYS 19 -4.036 6.127 0.840
111 HA CYS 19 HA CYS 19 -1.572 6.166 2.397
112 HB2 CYS 19 HB2 CYS 19 -2.119 6.895 -0.487
113 HB3 CYS 19 HB3 CYS 19 -0.545 6.989 0.290
114 H ALA 20 H ALA 20 -0.478 8.095 2.745
115 HA ALA 20 HA ALA 20 -1.998 10.296 3.519
116 HB1 ALA 20 HB1 ALA 20 0.188 9.760 4.474
117 HB2 ALA 20 HB2 ALA 20 0.135 11.421 3.879
118 HB3 ALA 20 HB3 ALA 20 0.959 10.173 2.942
119 H SER 21 H SER 21 -1.937 12.477 2.709
120 HA SER 21 HA SER 21 -2.676 12.743 0.058
121 HB2 SER 21 HB2 SER 21 -2.325 15.227 0.678
122 HB3 SER 21 HB3 SER 21 -3.521 14.295 1.591
123 HG SER 21 HG SER 21 -0.824 14.576 2.381
124 H GLY 22 H GLY 22 -1.449 12.719 -1.731
125 HA2 GLY 22 HA2 GLY 22 0.283 13.834 -2.995
126 HA3 GLY 22 HA3 GLY 22 1.286 13.784 -1.553
127 H THR 23 H THR 23 -0.054 10.946 -1.275
128 HA THR 23 HA THR 23 1.786 9.632 -3.147
129 HB THR 23 HB THR 23 2.041 7.798 -1.504
130 HG1 THR 23 HG1 THR 23 0.300 9.420 0.039
131 HG21 THR 23 HG21 THR 23 3.412 8.980 0.179
132 HG22 THR 23 HG22 THR 23 2.739 10.514 -0.377
133 HG23 THR 23 HG23 THR 23 3.725 9.530 -1.464
134 H THR 24 H THR 24 1.065 7.651 -4.052
135 HA THR 24 HA THR 24 -1.787 7.099 -3.680
136 HB THR 24 HB THR 24 -1.665 6.193 -6.074
137 HG1 THR 24 HG1 THR 24 0.901 7.129 -5.811
138 HG21 THR 24 HG21 THR 24 -1.351 9.158 -5.622
139 HG22 THR 24 HG22 THR 24 -2.857 8.242 -5.516
140 HG23 THR 24 HG23 THR 24 -2.030 8.408 -7.065
141 H CYS 25 H CYS 25 -2.400 4.906 -3.739
142 HA CYS 25 HA CYS 25 -0.378 3.133 -2.737
143 HB2 CYS 25 HB2 CYS 25 -2.677 3.090 -1.824
144 HB3 CYS 25 HB3 CYS 25 -3.287 2.593 -3.399
145 H GLN 26 H GLN 26 1.049 2.399 -4.174
146 HA GLN 26 HA GLN 26 0.143 1.648 -6.842
147 HB2 GLN 26 HB2 GLN 26 2.934 1.935 -5.734
148 HB3 GLN 26 HB3 GLN 26 2.519 1.625 -7.410
149 HG2 GLN 26 HG2 GLN 26 1.807 4.122 -5.875
150 HG3 GLN 26 HG3 GLN 26 3.158 3.936 -6.991
151 HE21 GLN 26 HE21 GLN 26 2.418 5.563 -8.264
152 HE22 GLN 26 HE22 GLN 26 1.065 5.400 -9.313
153 H VAL 27 H VAL 27 -0.287 -0.367 -7.202
154 HA VAL 27 HA VAL 27 0.572 -2.382 -5.314
155 HB VAL 27 HB VAL 27 -1.194 -2.689 -7.759
156 HG11 VAL 27 HG11 VAL 27 -1.939 -4.759 -6.680
157 HG12 VAL 27 HG12 VAL 27 -0.802 -4.479 -5.362
158 HG13 VAL 27 HG13 VAL 27 -0.203 -4.783 -6.992
159 HG21 VAL 27 HG21 VAL 27 -1.973 -2.253 -4.873
160 HG22 VAL 27 HG22 VAL 27 -3.090 -2.621 -6.187
161 HG23 VAL 27 HG23 VAL 27 -2.183 -1.106 -6.194
162 H LEU 28 H LEU 28 2.517 -3.075 -5.607
163 HA LEU 28 HA LEU 28 3.718 -3.207 -8.263
164 HB2 LEU 28 HB2 LEU 28 4.925 -3.885 -5.573
165 HB3 LEU 28 HB3 LEU 28 5.795 -3.689 -7.074
166 HG LEU 28 HG LEU 28 4.380 -1.512 -5.541
167 HD11 LEU 28 HD11 LEU 28 6.621 -0.670 -5.130
168 HD12 LEU 28 HD12 LEU 28 7.300 -2.083 -5.941
169 HD13 LEU 28 HD13 LEU 28 6.387 -2.275 -4.445
170 HD21 LEU 28 HD21 LEU 28 6.033 -1.358 -8.067
171 HD22 LEU 28 HD22 LEU 28 5.440 0.024 -7.148
172 HD23 LEU 28 HD23 LEU 28 4.299 -1.059 -7.940
173 H ASN 29 H ASN 29 3.741 -5.329 -5.467
174 HA ASN 29 HA ASN 29 3.562 -7.670 -7.211
175 HB2 ASN 29 HB2 ASN 29 4.248 -7.379 -4.266
176 HB3 ASN 29 HB3 ASN 29 4.083 -8.928 -5.080
177 HD21 ASN 29 HD21 ASN 29 6.066 -6.129 -4.619
178 HD22 ASN 29 HD22 ASN 29 7.457 -6.748 -5.411
179 HA PRO 30 HA PRO 30 -0.668 -8.313 -5.947
180 HB2 PRO 30 HB2 PRO 30 -0.109 -10.998 -4.830
181 HB3 PRO 30 HB3 PRO 30 -1.212 -10.535 -6.131
182 HG2 PRO 30 HG2 PRO 30 1.049 -11.816 -6.676
183 HG3 PRO 30 HG3 PRO 30 0.464 -10.511 -7.723
184 HD2 PRO 30 HD2 PRO 30 2.610 -10.434 -5.633
185 HD3 PRO 30 HD3 PRO 30 2.612 -9.728 -7.266
186 H TYR 31 H TYR 31 1.780 -9.207 -3.562
187 HA TYR 31 HA TYR 31 -0.193 -8.669 -1.447
188 HB2 TYR 31 HB2 TYR 31 2.517 -9.978 -1.088
189 HB3 TYR 31 HB3 TYR 31 1.194 -9.921 0.057
190 HD1 TYR 31 HD1 TYR 31 -0.650 -11.481 -0.095
191 HD2 TYR 31 HD2 TYR 31 2.396 -11.458 -3.050
192 HE1 TYR 31 HE1 TYR 31 -1.474 -13.630 -0.958
193 HE2 TYR 31 HE2 TYR 31 1.592 -13.596 -3.917
194 HH TYR 31 HH TYR 31 -1.411 -14.922 -2.987
195 H TYR 32 H TYR 32 2.821 -7.563 -2.835
196 HA TYR 32 HA TYR 32 2.938 -5.592 -0.700
197 HB2 TYR 32 HB2 TYR 32 5.056 -6.849 -1.062
198 HB3 TYR 32 HB3 TYR 32 5.165 -6.155 -2.678
199 HD1 TYR 32 HD1 TYR 32 5.112 -5.323 0.925
200 HD2 TYR 32 HD2 TYR 32 5.974 -3.929 -3.007
201 HE1 TYR 32 HE1 TYR 32 6.140 -3.306 1.872
202 HE2 TYR 32 HE2 TYR 32 7.012 -1.914 -2.061
203 HH TYR 32 HH TYR 32 7.713 -1.582 1.266
204 H SER 33 H SER 33 2.065 -3.764 -1.023
205 HA SER 33 HA SER 33 2.327 -2.422 -3.614
206 HB2 SER 33 HB2 SER 33 -0.054 -2.296 -1.736
207 HB3 SER 33 HB3 SER 33 0.063 -1.591 -3.349
208 HG SER 33 HG SER 33 -1.076 -3.701 -3.017
209 H GLN 34 H GLN 34 2.856 -0.164 -3.271
210 HA GLN 34 HA GLN 34 2.993 0.633 -0.472
211 HB2 GLN 34 HB2 GLN 34 5.239 1.613 -0.729
212 HB3 GLN 34 HB3 GLN 34 5.244 -0.131 -0.922
213 HG2 GLN 34 HG2 GLN 34 5.464 0.087 -3.306
214 HG3 GLN 34 HG3 GLN 34 5.264 1.833 -3.199
215 HE21 GLN 34 HE21 GLN 34 7.209 0.037 -0.863
216 HE22 GLN 34 HE22 GLN 34 8.712 0.632 -1.412
217 H CYS 35 H CYS 35 2.959 2.826 -0.051
218 HA CYS 35 HA CYS 35 1.525 4.350 -1.996
219 HB2 CYS 35 HB2 CYS 35 2.674 5.247 0.654
220 HB3 CYS 35 HB3 CYS 35 1.484 6.119 -0.307
221 H LEU 36 H LEU 36 2.378 5.421 -3.573
222 HA LEU 36 HA LEU 36 4.970 6.717 -3.229
223 HB2 LEU 36 HB2 LEU 36 3.950 5.298 -5.692
224 HB3 LEU 36 HB3 LEU 36 5.392 6.286 -5.639
225 HG LEU 36 HG LEU 36 4.997 3.723 -4.095
226 HD11 LEU 36 HD11 LEU 36 5.180 3.287 -6.473
227 HD12 LEU 36 HD12 LEU 36 6.657 2.794 -5.646
228 HD13 LEU 36 HD13 LEU 36 6.623 4.294 -6.570
229 HD21 LEU 36 HD21 LEU 36 6.494 5.261 -2.941
230 HD22 LEU 36 HD22 LEU 36 7.422 5.497 -4.417
231 HD23 LEU 36 HD23 LEU 36 7.409 3.921 -3.631
232 H1 MAN 101 H1 MAN 101 6.050 6.141 7.055
233 H2 MAN 101 H2 MAN 101 5.235 3.327 6.424
234 H3 MAN 101 H3 MAN 101 5.227 2.926 8.688
235 H4 MAN 101 H4 MAN 101 7.207 5.236 8.972
236 H5 MAN 101 H5 MAN 101 4.430 5.108 10.179
237 H61 MAN 101 H61 MAN 101 5.922 6.985 10.670
238 H62 MAN 101 H62 MAN 101 4.517 7.536 9.722
239 HO2 MAN 101 HO2 MAN 101 6.961 4.455 5.378
240 HO3 MAN 101 HO3 MAN 101 7.330 2.256 9.329
241 HO4 MAN 101 HO4 MAN 101 7.536 3.639 10.538
242 HO6 MAN 101 HO6 MAN 101 7.217 7.459 9.082
Start of MODEL 18
1 H1 THR 1 H1 THR 1 -3.014 6.741 9.580
2 H2 THR 1 H2 THR 1 -1.337 7.006 9.498
3 H3 THR 1 H3 THR 1 -1.929 5.438 9.522
4 HA THR 1 HA THR 1 -3.024 5.837 7.395
5 HB THR 1 HB THR 1 -1.481 8.445 7.465
6 HG1 THR 1 HG1 THR 1 -4.139 8.793 7.400
7 HG21 THR 1 HG21 THR 1 -3.649 7.435 5.611
8 HG22 THR 1 HG22 THR 1 -1.933 7.526 5.228
9 HG23 THR 1 HG23 THR 1 -2.852 9.004 5.509
10 H GLN 2 H GLN 2 -1.835 4.988 5.637
11 HA GLN 2 HA GLN 2 0.902 4.324 6.203
12 HB2 GLN 2 HB2 GLN 2 -0.773 2.749 5.122
13 HB3 GLN 2 HB3 GLN 2 -0.731 3.779 3.702
14 HG2 GLN 2 HG2 GLN 2 0.688 1.867 3.366
15 HG3 GLN 2 HG3 GLN 2 1.687 3.308 3.467
16 HE21 GLN 2 HE21 GLN 2 0.773 0.356 4.998
17 HE22 GLN 2 HE22 GLN 2 2.045 0.338 6.163
18 H SER 3 H SER 3 2.640 5.342 5.294
19 HA SER 3 HA SER 3 1.990 7.638 3.610
20 HB2 SER 3 HB2 SER 3 2.835 8.137 5.884
21 HB3 SER 3 HB3 SER 3 4.323 7.284 5.512
22 H HIS 4 H HIS 4 4.545 8.246 2.760
23 HA HIS 4 HA HIS 4 4.825 6.682 0.467
24 HB2 HIS 4 HB2 HIS 4 5.656 9.019 0.717
25 HB3 HIS 4 HB3 HIS 4 6.904 8.436 1.797
26 HD1 HIS 4 HD1 HIS 4 9.081 8.294 0.650
27 HD2 HIS 4 HD2 HIS 4 5.937 7.541 -1.952
28 HE1 HIS 4 HE1 HIS 4 10.145 7.844 -1.574
29 HE2 HIS 4 HE2 HIS 4 8.207 7.681 -3.172
30 H ALA 5 H ALA 5 5.706 4.823 0.106
31 HA ALA 5 HA ALA 5 6.830 2.924 0.250
32 HB1 ALA 5 HB1 ALA 5 8.697 4.314 2.183
33 HB2 ALA 5 HB2 ALA 5 8.896 4.256 0.430
34 HB3 ALA 5 HB3 ALA 5 8.994 2.773 1.385
35 H GLY 6 H GLY 6 4.904 2.130 1.129
36 HA2 GLY 6 HA2 GLY 6 5.309 0.597 3.467
37 HA3 GLY 6 HA3 GLY 6 4.144 1.899 3.712
38 H GLN 7 H GLN 7 3.519 -0.905 3.702
39 HA GLN 7 HA GLN 7 2.378 -1.479 1.136
40 HB2 GLN 7 HB2 GLN 7 3.263 -3.300 2.537
41 HB3 GLN 7 HB3 GLN 7 2.043 -2.953 3.754
42 HG2 GLN 7 HG2 GLN 7 0.291 -3.646 2.295
43 HG3 GLN 7 HG3 GLN 7 1.382 -3.816 0.932
44 HE21 GLN 7 HE21 GLN 7 -0.339 -5.889 2.066
45 HE22 GLN 7 HE22 GLN 7 0.705 -7.129 2.627
46 H CYS 8 H CYS 8 0.742 -0.424 0.502
47 HA CYS 8 HA CYS 8 -1.180 0.740 2.336
48 HB2 CYS 8 HB2 CYS 8 -2.119 1.649 0.224
49 HB3 CYS 8 HB3 CYS 8 -0.479 2.161 0.627
50 H GLY 9 H GLY 9 -1.195 -1.700 -0.213
51 HA2 GLY 9 HA2 GLY 9 -3.678 -2.712 0.809
52 HA3 GLY 9 HA3 GLY 9 -3.849 -1.862 -0.723
53 H GLY 10 H GLY 10 -1.485 -4.037 0.631
54 HA2 GLY 10 HA2 GLY 10 -1.611 -5.575 -1.855
55 HA3 GLY 10 HA3 GLY 10 -0.369 -5.733 -0.609
56 H ILE 11 H ILE 11 -2.083 -7.816 -1.765
57 HA ILE 11 HA ILE 11 -4.197 -8.500 -0.075
58 HB ILE 11 HB ILE 11 -2.382 -10.402 -1.602
59 HG12 ILE 11 HG12 ILE 11 -4.965 -9.085 -2.485
60 HG13 ILE 11 HG13 ILE 11 -3.360 -8.615 -3.024
61 HG21 ILE 11 HG21 ILE 11 -3.790 -11.539 0.053
62 HG22 ILE 11 HG22 ILE 11 -4.320 -11.918 -1.587
63 HG23 ILE 11 HG23 ILE 11 -5.222 -10.756 -0.615
64 HD11 ILE 11 HD11 ILE 11 -4.509 -9.988 -4.683
65 HD12 ILE 11 HD12 ILE 11 -4.656 -11.295 -3.507
66 HD13 ILE 11 HD13 ILE 11 -3.063 -10.789 -4.074
67 H GLY 12 H GLY 12 -4.232 -9.076 1.986
68 HA2 GLY 12 HA2 GLY 12 -3.512 -10.583 3.732
69 HA3 GLY 12 HA3 GLY 12 -1.866 -10.397 3.138
70 H TYR 13 H TYR 13 -3.307 -7.454 2.986
71 HA TYR 13 HA TYR 13 -2.179 -6.638 5.563
72 HB2 TYR 13 HB2 TYR 13 -1.217 -5.531 3.631
73 HB3 TYR 13 HB3 TYR 13 -2.803 -5.094 3.036
74 HD1 TYR 13 HD1 TYR 13 -0.637 -4.555 6.064
75 HD2 TYR 13 HD2 TYR 13 -3.486 -2.938 3.355
76 HE1 TYR 13 HE1 TYR 13 -0.401 -2.339 7.131
77 HE2 TYR 13 HE2 TYR 13 -3.267 -0.750 4.413
78 HH TYR 13 HH TYR 13 -2.551 0.284 6.294
79 H SER 14 H SER 14 -3.571 -6.241 7.158
80 HA SER 14 HA SER 14 -6.389 -5.931 6.533
81 HB2 SER 14 HB2 SER 14 -6.583 -6.466 9.010
82 HB3 SER 14 HB3 SER 14 -5.957 -7.751 7.972
83 HG SER 14 HG SER 14 -4.801 -6.468 10.039
84 H GLY 15 H GLY 15 -3.907 -3.908 7.011
85 HA2 GLY 15 HA2 GLY 15 -5.155 -2.122 8.926
86 HA3 GLY 15 HA3 GLY 15 -3.619 -1.863 8.110
87 HA PRO 16 HA PRO 16 -6.986 0.861 6.262
88 HB2 PRO 16 HB2 PRO 16 -5.573 3.198 6.480
89 HB3 PRO 16 HB3 PRO 16 -6.656 2.607 7.744
90 HG2 PRO 16 HG2 PRO 16 -3.683 2.374 7.531
91 HG3 PRO 16 HG3 PRO 16 -4.670 2.775 8.950
92 HD2 PRO 16 HD2 PRO 16 -3.653 0.316 8.585
93 HD3 PRO 16 HD3 PRO 16 -5.245 0.566 9.331
94 H THR 17 H THR 17 -6.997 1.025 4.114
95 HA THR 17 HA THR 17 -4.547 0.658 2.599
96 HB THR 17 HB THR 17 -6.144 0.458 0.671
97 HG1 THR 17 HG1 THR 17 -7.994 1.370 1.089
98 HG21 THR 17 HG21 THR 17 -6.719 -1.328 3.046
99 HG22 THR 17 HG22 THR 17 -5.388 -1.526 1.908
100 HG23 THR 17 HG23 THR 17 -7.057 -1.721 1.358
101 H VAL 18 H VAL 18 -5.628 3.241 3.921
102 HA VAL 18 HA VAL 18 -5.635 4.936 1.574
103 HB VAL 18 HB VAL 18 -7.452 5.354 3.147
104 HG11 VAL 18 HG11 VAL 18 -5.348 5.980 5.205
105 HG12 VAL 18 HG12 VAL 18 -6.472 4.618 5.215
106 HG13 VAL 18 HG13 VAL 18 -7.082 6.257 5.393
107 HG21 VAL 18 HG21 VAL 18 -5.454 7.620 3.144
108 HG22 VAL 18 HG22 VAL 18 -7.177 7.772 3.494
109 HG23 VAL 18 HG23 VAL 18 -6.647 7.267 1.889
110 H CYS 19 H CYS 19 -3.936 5.938 0.926
111 HA CYS 19 HA CYS 19 -1.553 6.026 2.558
112 HB2 CYS 19 HB2 CYS 19 -2.013 6.920 -0.306
113 HB3 CYS 19 HB3 CYS 19 -0.462 6.884 0.516
114 H ALA 20 H ALA 20 -0.402 7.991 2.771
115 HA ALA 20 HA ALA 20 -2.008 10.204 3.564
116 HB1 ALA 20 HB1 ALA 20 0.976 9.978 3.174
117 HB2 ALA 20 HB2 ALA 20 0.101 9.684 4.680
118 HB3 ALA 20 HB3 ALA 20 0.156 11.307 3.993
119 H SER 21 H SER 21 -2.261 12.201 2.540
120 HA SER 21 HA SER 21 -2.365 12.351 -0.192
121 HB2 SER 21 HB2 SER 21 -2.013 14.555 1.837
122 HB3 SER 21 HB3 SER 21 -2.510 14.811 0.164
123 HG SER 21 HG SER 21 -4.379 14.145 0.588
124 H GLY 22 H GLY 22 -0.969 12.807 -1.763
125 HA2 GLY 22 HA2 GLY 22 1.111 13.780 -2.551
126 HA3 GLY 22 HA3 GLY 22 1.805 13.373 -0.991
127 H THR 23 H THR 23 0.128 10.773 -1.221
128 HA THR 23 HA THR 23 1.829 9.410 -3.147
129 HB THR 23 HB THR 23 2.071 7.509 -1.556
130 HG1 THR 23 HG1 THR 23 0.603 9.212 0.050
131 HG21 THR 23 HG21 THR 23 3.866 8.521 -0.215
132 HG22 THR 23 HG22 THR 23 3.297 10.125 -0.695
133 HG23 THR 23 HG23 THR 23 3.926 9.004 -1.906
134 H THR 24 H THR 24 0.930 7.628 -4.128
135 HA THR 24 HA THR 24 -1.888 7.106 -3.515
136 HB THR 24 HB THR 24 -2.024 6.378 -5.956
137 HG1 THR 24 HG1 THR 24 0.620 6.979 -5.860
138 HG21 THR 24 HG21 THR 24 -2.972 8.499 -5.209
139 HG22 THR 24 HG22 THR 24 -2.266 8.676 -6.816
140 HG23 THR 24 HG23 THR 24 -1.405 9.286 -5.400
141 H CYS 25 H CYS 25 -2.556 4.839 -3.754
142 HA CYS 25 HA CYS 25 -0.444 3.103 -2.887
143 HB2 CYS 25 HB2 CYS 25 -2.724 2.934 -1.919
144 HB3 CYS 25 HB3 CYS 25 -3.352 2.479 -3.494
145 H GLN 26 H GLN 26 0.933 2.259 -4.319
146 HA GLN 26 HA GLN 26 -0.150 1.570 -6.936
147 HB2 GLN 26 HB2 GLN 26 2.704 2.253 -6.205
148 HB3 GLN 26 HB3 GLN 26 2.153 1.792 -7.808
149 HG2 GLN 26 HG2 GLN 26 0.631 3.788 -7.759
150 HG3 GLN 26 HG3 GLN 26 1.429 4.276 -6.268
151 HE21 GLN 26 HE21 GLN 26 2.269 6.165 -7.115
152 HE22 GLN 26 HE22 GLN 26 3.512 6.180 -8.302
153 H VAL 27 H VAL 27 -0.125 -0.427 -7.553
154 HA VAL 27 HA VAL 27 0.668 -2.452 -5.673
155 HB VAL 27 HB VAL 27 -0.597 -2.713 -8.422
156 HG11 VAL 27 HG11 VAL 27 -1.244 -4.969 -7.706
157 HG12 VAL 27 HG12 VAL 27 -0.364 -4.736 -6.198
158 HG13 VAL 27 HG13 VAL 27 0.510 -4.773 -7.728
159 HG21 VAL 27 HG21 VAL 27 -2.704 -3.049 -7.217
160 HG22 VAL 27 HG22 VAL 27 -2.023 -1.456 -6.892
161 HG23 VAL 27 HG23 VAL 27 -1.882 -2.739 -5.690
162 H LEU 28 H LEU 28 2.726 -3.022 -5.622
163 HA LEU 28 HA LEU 28 4.342 -2.993 -8.042
164 HB2 LEU 28 HB2 LEU 28 5.110 -3.739 -5.198
165 HB3 LEU 28 HB3 LEU 28 6.214 -3.501 -6.529
166 HG LEU 28 HG LEU 28 4.549 -1.372 -5.192
167 HD11 LEU 28 HD11 LEU 28 6.406 -2.124 -3.838
168 HD12 LEU 28 HD12 LEU 28 6.694 -0.495 -4.450
169 HD13 LEU 28 HD13 LEU 28 7.511 -1.869 -5.189
170 HD21 LEU 28 HD21 LEU 28 6.535 -1.146 -7.455
171 HD22 LEU 28 HD22 LEU 28 5.788 0.209 -6.608
172 HD23 LEU 28 HD23 LEU 28 4.794 -0.888 -7.564
173 H ASN 29 H ASN 29 4.117 -5.278 -5.371
174 HA ASN 29 HA ASN 29 3.851 -7.464 -7.282
175 HB2 ASN 29 HB2 ASN 29 4.332 -7.499 -4.272
176 HB3 ASN 29 HB3 ASN 29 4.079 -8.923 -5.274
177 HD21 ASN 29 HD21 ASN 29 6.327 -6.492 -4.272
178 HD22 ASN 29 HD22 ASN 29 7.686 -7.164 -5.062
179 HA PRO 30 HA PRO 30 -0.505 -7.789 -6.353
180 HB2 PRO 30 HB2 PRO 30 -0.150 -10.644 -5.605
181 HB3 PRO 30 HB3 PRO 30 -1.207 -9.937 -6.831
182 HG2 PRO 30 HG2 PRO 30 0.965 -11.247 -7.566
183 HG3 PRO 30 HG3 PRO 30 0.514 -9.737 -8.384
184 HD2 PRO 30 HD2 PRO 30 2.574 -10.187 -6.259
185 HD3 PRO 30 HD3 PRO 30 2.713 -9.233 -7.751
186 H TYR 31 H TYR 31 1.704 -9.336 -4.038
187 HA TYR 31 HA TYR 31 -0.269 -8.884 -1.935
188 HB2 TYR 31 HB2 TYR 31 2.398 -10.312 -1.770
189 HB3 TYR 31 HB3 TYR 31 1.177 -10.244 -0.508
190 HD1 TYR 31 HD1 TYR 31 -0.903 -11.512 -0.718
191 HD2 TYR 31 HD2 TYR 31 2.112 -11.774 -3.698
192 HE1 TYR 31 HE1 TYR 31 -2.003 -13.500 -1.659
193 HE2 TYR 31 HE2 TYR 31 1.035 -13.753 -4.636
194 HH TYR 31 HH TYR 31 -2.098 -14.616 -3.891
195 H TYR 32 H TYR 32 2.803 -7.646 -3.088
196 HA TYR 32 HA TYR 32 2.758 -5.831 -0.786
197 HB2 TYR 32 HB2 TYR 32 4.902 -7.068 -1.175
198 HB3 TYR 32 HB3 TYR 32 5.081 -6.205 -2.699
199 HD1 TYR 32 HD1 TYR 32 6.201 -4.124 -2.716
200 HD2 TYR 32 HD2 TYR 32 4.641 -5.624 0.948
201 HE1 TYR 32 HE1 TYR 32 7.278 -2.264 -1.496
202 HE2 TYR 32 HE2 TYR 32 5.706 -3.787 2.168
203 HH TYR 32 HH TYR 32 7.402 -2.221 1.974
204 H SER 33 H SER 33 1.744 -4.014 -1.144
205 HA SER 33 HA SER 33 2.148 -2.677 -3.724
206 HB2 SER 33 HB2 SER 33 -0.355 -2.612 -1.997
207 HB3 SER 33 HB3 SER 33 -0.152 -1.839 -3.570
208 HG SER 33 HG SER 33 0.484 -4.363 -3.929
209 H GLN 34 H GLN 34 2.496 -0.387 -3.506
210 HA GLN 34 HA GLN 34 3.173 0.361 -0.745
211 HB2 GLN 34 HB2 GLN 34 5.134 -0.555 -1.835
212 HB3 GLN 34 HB3 GLN 34 4.926 0.548 -3.183
213 HG2 GLN 34 HG2 GLN 34 5.342 2.433 -1.674
214 HG3 GLN 34 HG3 GLN 34 5.586 1.286 -0.354
215 HE21 GLN 34 HE21 GLN 34 6.840 2.477 -3.325
216 HE22 GLN 34 HE22 GLN 34 8.450 1.891 -3.142
217 H CYS 35 H CYS 35 2.808 2.475 -0.233
218 HA CYS 35 HA CYS 35 1.418 4.190 -2.035
219 HB2 CYS 35 HB2 CYS 35 2.727 4.884 0.609
220 HB3 CYS 35 HB3 CYS 35 1.588 5.895 -0.264
221 H LEU 36 H LEU 36 2.219 5.258 -3.603
222 HA LEU 36 HA LEU 36 4.782 6.603 -3.415
223 HB2 LEU 36 HB2 LEU 36 3.819 4.832 -5.658
224 HB3 LEU 36 HB3 LEU 36 5.129 5.972 -5.831
225 HG LEU 36 HG LEU 36 5.158 3.633 -3.922
226 HD11 LEU 36 HD11 LEU 36 5.096 2.889 -6.245
227 HD12 LEU 36 HD12 LEU 36 6.696 2.613 -5.547
228 HD13 LEU 36 HD13 LEU 36 6.426 3.975 -6.636
229 HD21 LEU 36 HD21 LEU 36 7.568 4.147 -3.799
230 HD22 LEU 36 HD22 LEU 36 6.584 5.494 -3.244
231 HD23 LEU 36 HD23 LEU 36 7.303 5.530 -4.857
232 H1 MAN 101 H1 MAN 101 5.366 9.383 6.124
233 H2 MAN 101 H2 MAN 101 2.871 9.896 6.691
234 H3 MAN 101 H3 MAN 101 2.313 11.097 4.672
235 H4 MAN 101 H4 MAN 101 4.304 13.197 5.659
236 H5 MAN 101 H5 MAN 101 4.395 11.318 3.212
237 H61 MAN 101 H61 MAN 101 6.226 13.481 4.300
238 H62 MAN 101 H62 MAN 101 5.498 13.433 2.676
239 HO2 MAN 101 HO2 MAN 101 4.820 11.941 7.112
240 HO3 MAN 101 HO3 MAN 101 1.397 12.946 5.693
241 HO4 MAN 101 HO4 MAN 101 2.494 14.051 4.669
242 HO6 MAN 101 HO6 MAN 101 7.223 11.405 3.713
Start of MODEL 19
1 H1 THR 1 H1 THR 1 -2.511 5.638 9.296
2 H2 THR 1 H2 THR 1 -3.440 7.075 9.352
3 H3 THR 1 H3 THR 1 -1.760 7.131 9.410
4 HA THR 1 HA THR 1 -3.285 6.168 7.117
5 HB THR 1 HB THR 1 -1.895 8.823 7.553
6 HG1 THR 1 HG1 THR 1 -4.411 9.263 7.219
7 HG21 THR 1 HG21 THR 1 -2.990 9.457 5.449
8 HG22 THR 1 HG22 THR 1 -3.717 7.857 5.327
9 HG23 THR 1 HG23 THR 1 -1.969 8.039 5.197
10 H GLN 2 H GLN 2 -1.981 5.253 5.553
11 HA GLN 2 HA GLN 2 0.726 4.627 6.308
12 HB2 GLN 2 HB2 GLN 2 -1.036 3.077 5.218
13 HB3 GLN 2 HB3 GLN 2 -0.697 3.949 3.734
14 HG2 GLN 2 HG2 GLN 2 0.561 1.900 3.799
15 HG3 GLN 2 HG3 GLN 2 1.658 3.282 3.901
16 HE21 GLN 2 HE21 GLN 2 0.195 0.675 5.636
17 HE22 GLN 2 HE22 GLN 2 1.228 0.699 7.004
18 H SER 3 H SER 3 2.558 5.361 5.098
19 HA SER 3 HA SER 3 1.920 7.503 3.219
20 HB2 SER 3 HB2 SER 3 4.022 7.525 5.367
21 HB3 SER 3 HB3 SER 3 3.822 8.765 4.125
22 H HIS 4 H HIS 4 4.341 8.230 2.367
23 HA HIS 4 HA HIS 4 4.966 6.388 0.396
24 HB2 HIS 4 HB2 HIS 4 5.541 8.831 0.344
25 HB3 HIS 4 HB3 HIS 4 6.822 8.511 1.505
26 HD1 HIS 4 HD1 HIS 4 9.038 7.509 0.580
27 HD2 HIS 4 HD2 HIS 4 6.036 7.890 -2.275
28 HE1 HIS 4 HE1 HIS 4 10.120 7.011 -1.595
29 HE2 HIS 4 HE2 HIS 4 8.367 7.583 -3.304
30 H ALA 5 H ALA 5 6.245 4.692 0.241
31 HA ALA 5 HA ALA 5 7.735 3.088 0.617
32 HB1 ALA 5 HB1 ALA 5 9.556 3.229 2.218
33 HB2 ALA 5 HB2 ALA 5 8.764 4.565 3.050
34 HB3 ALA 5 HB3 ALA 5 9.377 4.790 1.412
35 H GLY 6 H GLY 6 5.165 3.749 2.391
36 HA2 GLY 6 HA2 GLY 6 5.464 1.449 4.151
37 HA3 GLY 6 HA3 GLY 6 4.163 2.637 4.193
38 H GLN 7 H GLN 7 3.900 -0.213 4.122
39 HA GLN 7 HA GLN 7 3.045 -0.860 1.438
40 HB2 GLN 7 HB2 GLN 7 4.066 -2.661 2.721
41 HB3 GLN 7 HB3 GLN 7 2.893 -2.450 4.014
42 HG2 GLN 7 HG2 GLN 7 1.109 -3.239 2.584
43 HG3 GLN 7 HG3 GLN 7 2.208 -3.321 1.211
44 HE21 GLN 7 HE21 GLN 7 0.567 -5.395 2.520
45 HE22 GLN 7 HE22 GLN 7 1.670 -6.637 2.959
46 H CYS 8 H CYS 8 1.235 -0.102 0.715
47 HA CYS 8 HA CYS 8 -0.864 0.754 2.517
48 HB2 CYS 8 HB2 CYS 8 -1.967 1.519 0.428
49 HB3 CYS 8 HB3 CYS 8 -0.366 2.208 0.701
50 H GLY 9 H GLY 9 -0.178 -2.061 0.743
51 HA2 GLY 9 HA2 GLY 9 -1.632 -3.845 1.789
52 HA3 GLY 9 HA3 GLY 9 -2.941 -2.765 1.343
53 H GLY 10 H GLY 10 -1.194 -5.411 0.526
54 HA2 GLY 10 HA2 GLY 10 -2.370 -5.406 -2.146
55 HA3 GLY 10 HA3 GLY 10 -0.965 -6.361 -1.641
56 H ILE 11 H ILE 11 -2.176 -8.294 -2.198
57 HA ILE 11 HA ILE 11 -4.601 -8.979 -0.941
58 HB ILE 11 HB ILE 11 -2.416 -10.813 -1.986
59 HG12 ILE 11 HG12 ILE 11 -4.960 -9.857 -3.323
60 HG13 ILE 11 HG13 ILE 11 -3.357 -9.213 -3.646
61 HG21 ILE 11 HG21 ILE 11 -5.318 -11.429 -1.373
62 HG22 ILE 11 HG22 ILE 11 -3.922 -12.007 -0.465
63 HG23 ILE 11 HG23 ILE 11 -4.170 -12.535 -2.128
64 HD11 ILE 11 HD11 ILE 11 -4.278 -12.032 -4.159
65 HD12 ILE 11 HD12 ILE 11 -2.661 -11.399 -4.469
66 HD13 ILE 11 HD13 ILE 11 -4.041 -10.765 -5.366
67 H GLY 12 H GLY 12 -5.040 -9.450 1.085
68 HA2 GLY 12 HA2 GLY 12 -4.801 -10.713 3.039
69 HA3 GLY 12 HA3 GLY 12 -3.087 -10.874 2.710
70 H TYR 13 H TYR 13 -4.049 -7.679 2.305
71 HA TYR 13 HA TYR 13 -3.069 -7.065 5.013
72 HB2 TYR 13 HB2 TYR 13 -1.699 -6.299 3.032
73 HB3 TYR 13 HB3 TYR 13 -3.045 -5.259 2.595
74 HD1 TYR 13 HD1 TYR 13 -3.284 -3.117 3.619
75 HD2 TYR 13 HD2 TYR 13 -0.484 -5.909 5.183
76 HE1 TYR 13 HE1 TYR 13 -2.286 -1.334 4.987
77 HE2 TYR 13 HE2 TYR 13 0.504 -4.142 6.575
78 HH TYR 13 HH TYR 13 0.681 -1.756 6.608
79 H SER 14 H SER 14 -4.418 -6.079 6.359
80 HA SER 14 HA SER 14 -6.852 -4.841 5.312
81 HB2 SER 14 HB2 SER 14 -7.905 -5.855 7.425
82 HB3 SER 14 HB3 SER 14 -7.553 -6.941 6.073
83 HG SER 14 HG SER 14 -5.930 -7.796 7.109
84 H GLY 15 H GLY 15 -4.137 -4.014 6.526
85 HA2 GLY 15 HA2 GLY 15 -4.922 -2.546 8.893
86 HA3 GLY 15 HA3 GLY 15 -3.341 -2.524 8.120
87 HA PRO 16 HA PRO 16 -5.127 1.503 6.973
88 HB2 PRO 16 HB2 PRO 16 -2.745 2.824 6.854
89 HB3 PRO 16 HB3 PRO 16 -3.662 2.614 8.347
90 HG2 PRO 16 HG2 PRO 16 -1.245 1.166 7.398
91 HG3 PRO 16 HG3 PRO 16 -1.722 1.608 9.043
92 HD2 PRO 16 HD2 PRO 16 -1.992 -0.908 7.944
93 HD3 PRO 16 HD3 PRO 16 -2.916 -0.305 9.331
94 H THR 17 H THR 17 -5.776 1.094 4.922
95 HA THR 17 HA THR 17 -3.793 0.543 2.900
96 HB THR 17 HB THR 17 -5.841 0.131 1.479
97 HG1 THR 17 HG1 THR 17 -7.662 0.768 2.281
98 HG21 THR 17 HG21 THR 17 -5.633 -1.461 4.043
99 HG22 THR 17 HG22 THR 17 -4.674 -1.724 2.586
100 HG23 THR 17 HG23 THR 17 -6.416 -2.006 2.559
101 H VAL 18 H VAL 18 -5.289 3.140 4.243
102 HA VAL 18 HA VAL 18 -5.527 4.754 1.882
103 HB VAL 18 HB VAL 18 -7.088 5.191 3.710
104 HG11 VAL 18 HG11 VAL 18 -6.383 6.176 5.836
105 HG12 VAL 18 HG12 VAL 18 -4.694 5.940 5.371
106 HG13 VAL 18 HG13 VAL 18 -5.738 4.547 5.614
107 HG21 VAL 18 HG21 VAL 18 -6.524 7.080 2.280
108 HG22 VAL 18 HG22 VAL 18 -5.168 7.491 3.324
109 HG23 VAL 18 HG23 VAL 18 -6.821 7.628 3.929
110 H CYS 19 H CYS 19 -3.930 5.813 0.946
111 HA CYS 19 HA CYS 19 -1.407 6.116 2.332
112 HB2 CYS 19 HB2 CYS 19 -2.215 6.692 -0.526
113 HB3 CYS 19 HB3 CYS 19 -0.593 6.919 0.116
114 H ALA 20 H ALA 20 -0.446 8.062 2.666
115 HA ALA 20 HA ALA 20 -1.972 10.240 3.450
116 HB1 ALA 20 HB1 ALA 20 0.933 10.217 2.623
117 HB2 ALA 20 HB2 ALA 20 0.313 9.836 4.229
118 HB3 ALA 20 HB3 ALA 20 0.143 11.467 3.584
119 H SER 21 H SER 21 -2.202 12.300 2.569
120 HA SER 21 HA SER 21 -3.097 12.349 -0.066
121 HB2 SER 21 HB2 SER 21 -3.815 13.816 1.880
122 HB3 SER 21 HB3 SER 21 -2.341 14.739 1.623
123 HG SER 21 HG SER 21 -4.420 14.312 -0.252
124 H GLY 22 H GLY 22 -1.903 12.311 -1.823
125 HA2 GLY 22 HA2 GLY 22 -0.364 13.524 -3.242
126 HA3 GLY 22 HA3 GLY 22 0.663 13.767 -1.828
127 H THR 23 H THR 23 -0.351 10.747 -1.397
128 HA THR 23 HA THR 23 1.628 9.617 -3.233
129 HB THR 23 HB THR 23 2.091 7.834 -1.532
130 HG1 THR 23 HG1 THR 23 0.207 9.338 -0.078
131 HG21 THR 23 HG21 THR 23 3.461 9.209 -0.006
132 HG22 THR 23 HG22 THR 23 2.620 10.654 -0.578
133 HG23 THR 23 HG23 THR 23 3.623 9.723 -1.686
134 H THR 24 H THR 24 1.096 7.579 -4.141
135 HA THR 24 HA THR 24 -1.743 6.950 -3.853
136 HB THR 24 HB THR 24 -1.578 6.147 -6.262
137 HG1 THR 24 HG1 THR 24 1.029 7.045 -5.889
138 HG21 THR 24 HG21 THR 24 -1.780 8.421 -7.207
139 HG22 THR 24 HG22 THR 24 -1.114 9.086 -5.712
140 HG23 THR 24 HG23 THR 24 -2.671 8.261 -5.694
141 H CYS 25 H CYS 25 -2.307 4.812 -3.706
142 HA CYS 25 HA CYS 25 -0.295 3.039 -2.755
143 HB2 CYS 25 HB2 CYS 25 -2.596 3.004 -1.846
144 HB3 CYS 25 HB3 CYS 25 -3.202 2.485 -3.414
145 H GLN 26 H GLN 26 1.123 2.309 -4.172
146 HA GLN 26 HA GLN 26 0.150 1.492 -6.768
147 HB2 GLN 26 HB2 GLN 26 2.955 1.941 -5.757
148 HB3 GLN 26 HB3 GLN 26 2.530 1.420 -7.390
149 HG2 GLN 26 HG2 GLN 26 1.695 4.008 -6.101
150 HG3 GLN 26 HG3 GLN 26 2.983 3.827 -7.287
151 HE21 GLN 26 HE21 GLN 26 0.503 5.386 -7.412
152 HE22 GLN 26 HE22 GLN 26 -0.350 4.822 -8.789
153 H VAL 27 H VAL 27 -0.410 -0.452 -6.959
154 HA VAL 27 HA VAL 27 0.466 -2.525 -5.159
155 HB VAL 27 HB VAL 27 -1.270 -2.767 -7.641
156 HG11 VAL 27 HG11 VAL 27 -0.989 -4.599 -5.258
157 HG12 VAL 27 HG12 VAL 27 -0.362 -4.900 -6.875
158 HG13 VAL 27 HG13 VAL 27 -2.105 -4.828 -6.605
159 HG21 VAL 27 HG21 VAL 27 -3.210 -2.670 -6.137
160 HG22 VAL 27 HG22 VAL 27 -2.272 -1.173 -6.089
161 HG23 VAL 27 HG23 VAL 27 -2.135 -2.341 -4.778
162 H LEU 28 H LEU 28 2.542 -2.922 -5.533
163 HA LEU 28 HA LEU 28 3.615 -3.061 -8.209
164 HB2 LEU 28 HB2 LEU 28 4.901 -3.700 -5.548
165 HB3 LEU 28 HB3 LEU 28 5.749 -3.554 -7.071
166 HG LEU 28 HG LEU 28 4.323 -1.312 -5.630
167 HD11 LEU 28 HD11 LEU 28 6.567 -0.431 -5.253
168 HD12 LEU 28 HD12 LEU 28 7.253 -1.878 -5.991
169 HD13 LEU 28 HD13 LEU 28 6.335 -2.003 -4.487
170 HD21 LEU 28 HD21 LEU 28 5.378 0.143 -7.310
171 HD22 LEU 28 HD22 LEU 28 4.254 -0.992 -8.047
172 HD23 LEU 28 HD23 LEU 28 5.993 -1.279 -8.150
173 H ASN 29 H ASN 29 3.770 -5.270 -5.498
174 HA ASN 29 HA ASN 29 3.579 -7.535 -7.346
175 HB2 ASN 29 HB2 ASN 29 4.225 -7.482 -4.366
176 HB3 ASN 29 HB3 ASN 29 4.166 -8.924 -5.370
177 HD21 ASN 29 HD21 ASN 29 6.049 -6.129 -4.490
178 HD22 ASN 29 HD22 ASN 29 7.453 -6.590 -5.347
179 HA PRO 30 HA PRO 30 -0.669 -8.265 -6.241
180 HB2 PRO 30 HB2 PRO 30 0.008 -10.984 -5.228
181 HB3 PRO 30 HB3 PRO 30 -1.174 -10.509 -6.450
182 HG2 PRO 30 HG2 PRO 30 1.089 -11.653 -7.189
183 HG3 PRO 30 HG3 PRO 30 0.434 -10.294 -8.119
184 HD2 PRO 30 HD2 PRO 30 2.657 -10.319 -6.113
185 HD3 PRO 30 HD3 PRO 30 2.587 -9.476 -7.675
186 H TYR 31 H TYR 31 1.687 -9.340 -3.867
187 HA TYR 31 HA TYR 31 -0.256 -8.824 -1.731
188 HB2 TYR 31 HB2 TYR 31 2.510 -10.013 -1.566
189 HB3 TYR 31 HB3 TYR 31 1.372 -9.857 -0.240
190 HD1 TYR 31 HD1 TYR 31 -0.594 -11.308 -0.124
191 HD2 TYR 31 HD2 TYR 31 2.276 -11.733 -3.223
192 HE1 TYR 31 HE1 TYR 31 -1.475 -13.539 -0.623
193 HE2 TYR 31 HE2 TYR 31 1.400 -13.964 -3.738
194 HH TYR 31 HH TYR 31 -1.512 -15.090 -2.650
195 H TYR 32 H TYR 32 2.577 -7.455 -3.193
196 HA TYR 32 HA TYR 32 2.817 -5.713 -0.881
197 HB2 TYR 32 HB2 TYR 32 4.894 -6.904 -1.305
198 HB3 TYR 32 HB3 TYR 32 4.939 -6.287 -2.953
199 HD1 TYR 32 HD1 TYR 32 6.156 -4.366 -3.408
200 HD2 TYR 32 HD2 TYR 32 4.836 -5.077 0.575
201 HE1 TYR 32 HE1 TYR 32 7.395 -2.391 -2.641
202 HE2 TYR 32 HE2 TYR 32 6.083 -3.106 1.344
203 HH TYR 32 HH TYR 32 7.822 -1.698 0.709
204 H SER 33 H SER 33 1.941 -3.885 -1.028
205 HA SER 33 HA SER 33 1.990 -2.392 -3.539
206 HB2 SER 33 HB2 SER 33 -0.151 -2.484 -1.397
207 HB3 SER 33 HB3 SER 33 -0.246 -1.531 -2.873
208 HG SER 33 HG SER 33 -1.346 -3.598 -2.821
209 H GLN 34 H GLN 34 2.668 -0.241 -3.232
210 HA GLN 34 HA GLN 34 3.376 0.519 -0.469
211 HB2 GLN 34 HB2 GLN 34 5.362 -0.325 -1.708
212 HB3 GLN 34 HB3 GLN 34 5.093 0.909 -2.930
213 HG2 GLN 34 HG2 GLN 34 5.382 2.628 -1.135
214 HG3 GLN 34 HG3 GLN 34 5.849 1.324 -0.045
215 HE21 GLN 34 HE21 GLN 34 7.283 -0.124 -2.162
216 HE22 GLN 34 HE22 GLN 34 8.718 0.767 -2.479
217 H CYS 35 H CYS 35 3.034 2.663 0.004
218 HA CYS 35 HA CYS 35 1.508 4.222 -1.850
219 HB2 CYS 35 HB2 CYS 35 2.732 5.015 0.802
220 HB3 CYS 35 HB3 CYS 35 1.611 6.003 -0.127
221 H LEU 36 H LEU 36 2.415 5.104 -3.523
222 HA LEU 36 HA LEU 36 4.982 6.434 -3.216
223 HB2 LEU 36 HB2 LEU 36 3.868 4.962 -5.607
224 HB3 LEU 36 HB3 LEU 36 5.306 5.953 -5.645
225 HG LEU 36 HG LEU 36 5.023 3.456 -3.965
226 HD11 LEU 36 HD11 LEU 36 6.422 3.882 -6.602
227 HD12 LEU 36 HD12 LEU 36 4.968 2.918 -6.347
228 HD13 LEU 36 HD13 LEU 36 6.500 2.420 -5.623
229 HD21 LEU 36 HD21 LEU 36 6.629 5.083 -3.090
230 HD22 LEU 36 HD22 LEU 36 7.409 5.161 -4.669
231 HD23 LEU 36 HD23 LEU 36 7.447 3.662 -3.738
232 H1 MAN 101 H1 MAN 101 3.598 9.155 7.017
233 H2 MAN 101 H2 MAN 101 0.860 10.378 6.660
234 H3 MAN 101 H3 MAN 101 1.843 12.371 7.207
235 H4 MAN 101 H4 MAN 101 4.094 10.749 8.499
236 H5 MAN 101 H5 MAN 101 4.288 12.552 6.042
237 H61 MAN 101 H61 MAN 101 6.005 10.910 5.388
238 H62 MAN 101 H62 MAN 101 5.724 9.971 6.869
239 HO2 MAN 101 HO2 MAN 101 1.217 8.460 7.903
240 HO3 MAN 101 HO3 MAN 101 1.942 12.631 9.471
241 HO4 MAN 101 HO4 MAN 101 3.813 12.783 9.485
242 HO6 MAN 101 HO6 MAN 101 6.105 12.274 7.835
Start of MODEL 20
1 H1 THR 1 H1 THR 1 -3.170 7.433 8.779
2 H2 THR 1 H2 THR 1 -1.587 7.812 8.343
3 H3 THR 1 H3 THR 1 -1.895 6.288 8.970
4 HA THR 1 HA THR 1 -3.209 5.870 6.948
5 HB THR 1 HB THR 1 -2.632 7.545 5.087
6 HG1 THR 1 HG1 THR 1 -2.323 9.738 6.172
7 HG21 THR 1 HG21 THR 1 -4.339 8.560 7.363
8 HG22 THR 1 HG22 THR 1 -4.875 7.421 6.135
9 HG23 THR 1 HG23 THR 1 -4.437 9.070 5.677
10 H GLN 2 H GLN 2 -1.915 5.192 4.920
11 HA GLN 2 HA GLN 2 0.594 4.282 5.959
12 HB2 GLN 2 HB2 GLN 2 -0.912 2.768 4.657
13 HB3 GLN 2 HB3 GLN 2 -0.578 3.735 3.226
14 HG2 GLN 2 HG2 GLN 2 0.801 1.726 3.270
15 HG3 GLN 2 HG3 GLN 2 1.789 3.181 3.380
16 HE21 GLN 2 HE21 GLN 2 0.648 0.380 5.044
17 HE22 GLN 2 HE22 GLN 2 1.726 0.479 6.379
18 H SER 3 H SER 3 2.563 4.798 5.299
19 HA SER 3 HA SER 3 2.861 7.455 4.217
20 HB2 SER 3 HB2 SER 3 5.213 7.030 5.000
21 HB3 SER 3 HB3 SER 3 3.963 6.957 6.253
22 H HIS 4 H HIS 4 4.634 7.863 2.722
23 HA HIS 4 HA HIS 4 4.772 6.332 0.387
24 HB2 HIS 4 HB2 HIS 4 5.539 8.719 0.576
25 HB3 HIS 4 HB3 HIS 4 6.895 8.175 1.545
26 HD1 HIS 4 HD1 HIS 4 8.978 7.450 0.299
27 HD2 HIS 4 HD2 HIS 4 5.687 7.897 -2.192
28 HE1 HIS 4 HE1 HIS 4 9.876 7.281 -2.035
29 HE2 HIS 4 HE2 HIS 4 7.912 7.824 -3.501
30 H ALA 5 H ALA 5 6.014 4.602 -0.179
31 HA ALA 5 HA ALA 5 7.436 2.878 -0.099
32 HB1 ALA 5 HB1 ALA 5 9.215 4.520 0.422
33 HB2 ALA 5 HB2 ALA 5 9.518 2.955 1.165
34 HB3 ALA 5 HB3 ALA 5 8.903 4.289 2.140
35 H GLY 6 H GLY 6 5.106 3.320 1.916
36 HA2 GLY 6 HA2 GLY 6 5.698 0.970 3.579
37 HA3 GLY 6 HA3 GLY 6 4.433 2.158 3.900
38 H GLN 7 H GLN 7 3.776 -0.535 3.868
39 HA GLN 7 HA GLN 7 2.810 -1.209 1.218
40 HB2 GLN 7 HB2 GLN 7 3.751 -2.994 2.598
41 HB3 GLN 7 HB3 GLN 7 2.536 -2.696 3.834
42 HG2 GLN 7 HG2 GLN 7 0.784 -3.414 2.338
43 HG3 GLN 7 HG3 GLN 7 1.934 -3.640 1.027
44 HE21 GLN 7 HE21 GLN 7 0.154 -5.595 2.236
45 HE22 GLN 7 HE22 GLN 7 1.147 -6.846 2.847
46 H CYS 8 H CYS 8 1.089 -0.241 0.541
47 HA CYS 8 HA CYS 8 -0.904 0.823 2.361
48 HB2 CYS 8 HB2 CYS 8 -1.912 1.679 0.300
49 HB3 CYS 8 HB3 CYS 8 -0.252 2.209 0.576
50 H GLY 9 H GLY 9 -0.823 -1.758 -0.057
51 HA2 GLY 9 HA2 GLY 9 -3.049 -2.988 1.159
52 HA3 GLY 9 HA3 GLY 9 -3.586 -2.024 -0.206
53 H GLY 10 H GLY 10 -1.731 -4.702 0.820
54 HA2 GLY 10 HA2 GLY 10 -1.780 -5.716 -1.937
55 HA3 GLY 10 HA3 GLY 10 -0.590 -6.208 -0.724
56 H ILE 11 H ILE 11 -1.964 -8.219 -1.837
57 HA ILE 11 HA ILE 11 -4.400 -8.853 -0.571
58 HB ILE 11 HB ILE 11 -2.290 -10.775 -1.625
59 HG12 ILE 11 HG12 ILE 11 -4.729 -9.646 -3.029
60 HG13 ILE 11 HG13 ILE 11 -3.074 -9.114 -3.310
61 HG21 ILE 11 HG21 ILE 11 -5.246 -11.195 -1.133
62 HG22 ILE 11 HG22 ILE 11 -3.935 -11.861 -0.164
63 HG23 ILE 11 HG23 ILE 11 -4.142 -12.378 -1.837
64 HD11 ILE 11 HD11 ILE 11 -3.832 -10.616 -5.054
65 HD12 ILE 11 HD12 ILE 11 -4.169 -11.869 -3.856
66 HD13 ILE 11 HD13 ILE 11 -2.512 -11.344 -4.143
67 H GLY 12 H GLY 12 -4.718 -9.162 1.542
68 HA2 GLY 12 HA2 GLY 12 -4.346 -10.591 3.461
69 HA3 GLY 12 HA3 GLY 12 -2.638 -10.596 3.050
70 H TYR 13 H TYR 13 -3.819 -7.535 2.615
71 HA TYR 13 HA TYR 13 -2.779 -6.730 5.230
72 HB2 TYR 13 HB2 TYR 13 -1.626 -5.790 3.257
73 HB3 TYR 13 HB3 TYR 13 -3.141 -5.135 2.674
74 HD1 TYR 13 HD1 TYR 13 -3.753 -2.969 3.255
75 HD2 TYR 13 HD2 TYR 13 -0.734 -4.894 5.531
76 HE1 TYR 13 HE1 TYR 13 -3.271 -0.850 4.398
77 HE2 TYR 13 HE2 TYR 13 -0.251 -2.769 6.690
78 HH TYR 13 HH TYR 13 -2.298 0.053 6.157
79 H SER 14 H SER 14 -4.248 -6.208 6.715
80 HA SER 14 HA SER 14 -6.941 -5.471 5.838
81 HB2 SER 14 HB2 SER 14 -7.543 -6.275 8.176
82 HB3 SER 14 HB3 SER 14 -6.996 -7.512 7.042
83 HG SER 14 HG SER 14 -5.756 -7.948 8.698
84 H GLY 15 H GLY 15 -4.218 -4.079 6.894
85 HA2 GLY 15 HA2 GLY 15 -5.242 -2.288 8.896
86 HA3 GLY 15 HA3 GLY 15 -3.680 -2.173 8.093
87 HA PRO 16 HA PRO 16 -6.500 1.240 6.540
88 HB2 PRO 16 HB2 PRO 16 -4.586 3.211 6.800
89 HB3 PRO 16 HB3 PRO 16 -5.790 2.831 8.038
90 HG2 PRO 16 HG2 PRO 16 -2.931 1.990 7.854
91 HG3 PRO 16 HG3 PRO 16 -3.866 2.478 9.277
92 HD2 PRO 16 HD2 PRO 16 -3.328 -0.105 8.724
93 HD3 PRO 16 HD3 PRO 16 -4.837 0.392 9.510
94 H THR 17 H THR 17 -6.567 1.170 4.332
95 HA THR 17 HA THR 17 -4.110 0.659 2.869
96 HB THR 17 HB THR 17 -5.627 0.277 0.948
97 HG1 THR 17 HG1 THR 17 -7.569 0.905 1.027
98 HG21 THR 17 HG21 THR 17 -6.401 -1.224 3.457
99 HG22 THR 17 HG22 THR 17 -5.049 -1.598 2.386
100 HG23 THR 17 HG23 THR 17 -6.706 -1.766 1.803
101 H VAL 18 H VAL 18 -5.839 3.263 3.830
102 HA VAL 18 HA VAL 18 -5.461 4.866 1.484
103 HB VAL 18 HB VAL 18 -7.417 5.324 2.837
104 HG11 VAL 18 HG11 VAL 18 -5.520 5.852 5.098
105 HG12 VAL 18 HG12 VAL 18 -6.756 4.600 5.000
106 HG13 VAL 18 HG13 VAL 18 -7.223 6.299 5.124
107 HG21 VAL 18 HG21 VAL 18 -6.485 7.251 1.683
108 HG22 VAL 18 HG22 VAL 18 -5.434 7.594 3.056
109 HG23 VAL 18 HG23 VAL 18 -7.179 7.756 3.224
110 H CYS 19 H CYS 19 -3.781 6.022 0.987
111 HA CYS 19 HA CYS 19 -1.454 5.978 2.705
112 HB2 CYS 19 HB2 CYS 19 -1.828 7.005 -0.114
113 HB3 CYS 19 HB3 CYS 19 -0.295 6.888 0.736
114 H ALA 20 H ALA 20 -0.197 7.932 2.973
115 HA ALA 20 HA ALA 20 -1.668 10.122 3.920
116 HB1 ALA 20 HB1 ALA 20 0.572 9.574 4.745
117 HB2 ALA 20 HB2 ALA 20 0.528 11.229 4.133
118 HB3 ALA 20 HB3 ALA 20 1.250 9.948 3.162
119 H SER 21 H SER 21 -1.744 12.276 3.060
120 HA SER 21 HA SER 21 -2.619 12.294 0.424
121 HB2 SER 21 HB2 SER 21 -3.451 13.891 2.100
122 HB3 SER 21 HB3 SER 21 -1.870 14.662 2.168
123 HG SER 21 HG SER 21 -3.515 14.472 -0.134
124 H GLY 22 H GLY 22 -1.651 12.501 -1.422
125 HA2 GLY 22 HA2 GLY 22 -0.022 13.629 -2.809
126 HA3 GLY 22 HA3 GLY 22 1.111 13.472 -1.477
127 H THR 23 H THR 23 -0.056 10.708 -1.007
128 HA THR 23 HA THR 23 1.413 9.440 -3.185
129 HB THR 23 HB THR 23 1.991 7.605 -1.590
130 HG1 THR 23 HG1 THR 23 0.559 9.259 0.174
131 HG21 THR 23 HG21 THR 23 2.954 10.349 -0.798
132 HG22 THR 23 HG22 THR 23 3.626 9.336 -2.083
133 HG23 THR 23 HG23 THR 23 3.749 8.825 -0.400
134 H THR 24 H THR 24 0.651 7.524 -3.989
135 HA THR 24 HA THR 24 -2.124 6.904 -3.293
136 HB THR 24 HB THR 24 -2.279 6.184 -5.722
137 HG1 THR 24 HG1 THR 24 0.352 6.997 -5.661
138 HG21 THR 24 HG21 THR 24 -2.628 8.480 -6.543
139 HG22 THR 24 HG22 THR 24 -1.767 9.101 -5.134
140 HG23 THR 24 HG23 THR 24 -3.303 8.257 -4.927
141 H CYS 25 H CYS 25 -2.702 4.646 -3.596
142 HA CYS 25 HA CYS 25 -0.553 2.940 -2.766
143 HB2 CYS 25 HB2 CYS 25 -2.811 2.759 -1.772
144 HB3 CYS 25 HB3 CYS 25 -3.434 2.231 -3.334
145 H GLN 26 H GLN 26 0.836 2.372 -4.318
146 HA GLN 26 HA GLN 26 -0.222 1.586 -6.926
147 HB2 GLN 26 HB2 GLN 26 2.646 2.038 -6.097
148 HB3 GLN 26 HB3 GLN 26 2.043 1.831 -7.726
149 HG2 GLN 26 HG2 GLN 26 1.453 4.173 -5.916
150 HG3 GLN 26 HG3 GLN 26 2.612 4.142 -7.237
151 HE21 GLN 26 HE21 GLN 26 1.621 5.846 -8.228
152 HE22 GLN 26 HE22 GLN 26 0.098 5.689 -9.042
153 H VAL 27 H VAL 27 -0.385 -0.469 -7.355
154 HA VAL 27 HA VAL 27 0.576 -2.420 -5.475
155 HB VAL 27 HB VAL 27 -0.878 -2.826 -8.112
156 HG11 VAL 27 HG11 VAL 27 -1.454 -5.036 -7.230
157 HG12 VAL 27 HG12 VAL 27 -0.480 -4.719 -5.799
158 HG13 VAL 27 HG13 VAL 27 0.292 -4.838 -7.382
159 HG21 VAL 27 HG21 VAL 27 -2.901 -3.086 -6.757
160 HG22 VAL 27 HG22 VAL 27 -2.183 -1.485 -6.556
161 HG23 VAL 27 HG23 VAL 27 -1.970 -2.711 -5.304
162 H LEU 28 H LEU 28 2.562 -3.130 -5.575
163 HA LEU 28 HA LEU 28 3.996 -3.071 -8.129
164 HB2 LEU 28 HB2 LEU 28 5.030 -3.526 -5.320
165 HB3 LEU 28 HB3 LEU 28 6.021 -3.385 -6.759
166 HG LEU 28 HG LEU 28 4.337 -1.180 -5.562
167 HD11 LEU 28 HD11 LEU 28 6.492 -0.164 -5.003
168 HD12 LEU 28 HD12 LEU 28 7.308 -1.621 -5.578
169 HD13 LEU 28 HD13 LEU 28 6.235 -1.702 -4.179
170 HD21 LEU 28 HD21 LEU 28 5.496 0.274 -7.176
171 HD22 LEU 28 HD22 LEU 28 4.518 -0.949 -7.986
172 HD23 LEU 28 HD23 LEU 28 6.268 -1.141 -7.891
173 H ASN 29 H ASN 29 4.032 -5.152 -5.290
174 HA ASN 29 HA ASN 29 4.063 -7.535 -6.987
175 HB2 ASN 29 HB2 ASN 29 4.372 -7.192 -3.976
176 HB3 ASN 29 HB3 ASN 29 4.421 -8.730 -4.821
177 HD21 ASN 29 HD21 ASN 29 6.396 -7.493 -3.121
178 HD22 ASN 29 HD22 ASN 29 7.823 -7.324 -4.068
179 HA PRO 30 HA PRO 30 -0.270 -8.228 -6.092
180 HB2 PRO 30 HB2 PRO 30 0.293 -10.931 -4.999
181 HB3 PRO 30 HB3 PRO 30 -0.732 -10.470 -6.363
182 HG2 PRO 30 HG2 PRO 30 1.615 -11.670 -6.773
183 HG3 PRO 30 HG3 PRO 30 1.055 -10.375 -7.845
184 HD2 PRO 30 HD2 PRO 30 3.056 -10.264 -5.626
185 HD3 PRO 30 HD3 PRO 30 3.128 -9.513 -7.234
186 H TYR 31 H TYR 31 2.056 -9.029 -3.627
187 HA TYR 31 HA TYR 31 0.003 -8.642 -1.554
188 HB2 TYR 31 HB2 TYR 31 2.746 -9.895 -1.362
189 HB3 TYR 31 HB3 TYR 31 1.631 -9.703 -0.021
190 HD1 TYR 31 HD1 TYR 31 -0.067 -11.255 0.371
191 HD2 TYR 31 HD2 TYR 31 2.063 -11.391 -3.293
192 HE1 TYR 31 HE1 TYR 31 -1.114 -13.391 -0.142
193 HE2 TYR 31 HE2 TYR 31 1.026 -13.534 -3.832
194 HH TYR 31 HH TYR 31 -0.006 -15.384 -2.662
195 H TYR 32 H TYR 32 2.956 -7.326 -2.846
196 HA TYR 32 HA TYR 32 2.923 -5.412 -0.652
197 HB2 TYR 32 HB2 TYR 32 5.081 -6.595 -0.963
198 HB3 TYR 32 HB3 TYR 32 5.199 -5.921 -2.583
199 HD1 TYR 32 HD1 TYR 32 6.045 -3.725 -2.921
200 HD2 TYR 32 HD2 TYR 32 5.118 -5.058 1.009
201 HE1 TYR 32 HE1 TYR 32 7.151 -1.739 -1.987
202 HE2 TYR 32 HE2 TYR 32 6.221 -3.077 1.951
203 HH TYR 32 HH TYR 32 7.950 -1.492 1.268
204 H SER 33 H SER 33 1.868 -3.679 -1.077
205 HA SER 33 HA SER 33 2.198 -2.423 -3.694
206 HB2 SER 33 HB2 SER 33 -0.174 -2.236 -1.810
207 HB3 SER 33 HB3 SER 33 -0.053 -1.503 -3.410
208 HG SER 33 HG SER 33 -1.179 -3.639 -3.085
209 H GLN 34 H GLN 34 2.645 -0.183 -3.534
210 HA GLN 34 HA GLN 34 3.440 0.594 -0.820
211 HB2 GLN 34 HB2 GLN 34 5.311 -0.293 -2.166
212 HB3 GLN 34 HB3 GLN 34 5.014 0.951 -3.362
213 HG2 GLN 34 HG2 GLN 34 5.534 2.659 -1.705
214 HG3 GLN 34 HG3 GLN 34 5.827 1.392 -0.514
215 HE21 GLN 34 HE21 GLN 34 7.688 0.117 -0.692
216 HE22 GLN 34 HE22 GLN 34 8.980 0.582 -1.736
217 H CYS 35 H CYS 35 3.088 2.695 -0.309
218 HA CYS 35 HA CYS 35 1.463 4.289 -2.029
219 HB2 CYS 35 HB2 CYS 35 2.845 5.062 0.547
220 HB3 CYS 35 HB3 CYS 35 1.617 6.012 -0.280
221 H LEU 36 H LEU 36 2.166 5.330 -3.665
222 HA LEU 36 HA LEU 36 4.755 6.655 -3.568
223 HB2 LEU 36 HB2 LEU 36 3.534 5.148 -5.869
224 HB3 LEU 36 HB3 LEU 36 4.963 6.150 -6.000
225 HG LEU 36 HG LEU 36 4.766 3.668 -4.281
226 HD11 LEU 36 HD11 LEU 36 4.660 3.117 -6.665
227 HD12 LEU 36 HD12 LEU 36 6.189 2.614 -5.947
228 HD13 LEU 36 HD13 LEU 36 6.124 4.065 -6.944
229 HD21 LEU 36 HD21 LEU 36 7.192 3.902 -4.125
230 HD22 LEU 36 HD22 LEU 36 6.363 5.295 -3.439
231 HD23 LEU 36 HD23 LEU 36 7.108 5.409 -5.034
232 H1 MAN 101 H1 MAN 101 6.630 5.486 6.343
233 H2 MAN 101 H2 MAN 101 6.144 3.004 5.958
234 H3 MAN 101 H3 MAN 101 3.949 2.792 6.931
235 H4 MAN 101 H4 MAN 101 5.249 3.605 9.584
236 H5 MAN 101 H5 MAN 101 3.335 5.104 7.711
237 H61 MAN 101 H61 MAN 101 3.693 6.991 9.278
238 H62 MAN 101 H62 MAN 101 4.466 5.891 10.448
239 HO2 MAN 101 HO2 MAN 101 7.018 3.806 8.554
240 HO3 MAN 101 HO3 MAN 101 5.413 0.994 7.247
241 HO4 MAN 101 HO4 MAN 101 3.069 3.575 10.259
242 HO6 MAN 101 HO6 MAN 101 2.225 6.148 10.902