Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616844 | 5x36 RC | 36052 | 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 -11.644 -0.306 -4.376
2 H2 THR 1 H2 THR 1 -10.705 -1.646 -3.973
3 H3 THR 1 H3 THR 1 -11.119 -1.345 -5.592
4 HA THR 1 HA THR 1 -8.860 -0.668 -5.148
5 HB THR 1 HB THR 1 -9.257 1.844 -5.667
6 HG1 THR 1 HG1 THR 1 -11.439 2.269 -6.279
7 HG21 THR 1 HG21 THR 1 -8.750 0.147 -7.389
8 HG22 THR 1 HG22 THR 1 -9.938 1.313 -7.970
9 HG23 THR 1 HG23 THR 1 -10.458 -0.286 -7.451
10 H GLN 2 H GLN 2 -7.452 -0.039 -3.692
11 HA GLN 2 HA GLN 2 -8.273 0.824 -1.086
12 HB2 GLN 2 HB2 GLN 2 -6.368 -0.721 -1.443
13 HB3 GLN 2 HB3 GLN 2 -5.518 0.540 -2.318
14 HG2 GLN 2 HG2 GLN 2 -4.755 0.248 0.005
15 HG3 GLN 2 HG3 GLN 2 -5.334 1.868 -0.367
16 HE21 GLN 2 HE21 GLN 2 -5.878 2.406 1.547
17 HE22 GLN 2 HE22 GLN 2 -7.121 1.714 2.569
18 H SER 3 H SER 3 -7.827 2.812 -0.088
19 HA SER 3 HA SER 3 -8.246 4.963 -1.885
20 HB2 SER 3 HB2 SER 3 -8.526 6.283 0.107
21 HB3 SER 3 HB3 SER 3 -9.469 4.805 0.262
22 H HIS 4 H HIS 4 -7.154 6.986 -1.285
23 HA HIS 4 HA HIS 4 -4.350 6.743 -1.923
24 HB2 HIS 4 HB2 HIS 4 -5.994 8.453 -2.869
25 HB3 HIS 4 HB3 HIS 4 -5.952 9.243 -1.315
26 HD1 HIS 4 HD1 HIS 4 -5.061 11.319 -2.828
27 HD2 HIS 4 HD2 HIS 4 -2.495 8.101 -2.440
28 HE1 HIS 4 HE1 HIS 4 -2.857 12.116 -3.677
29 HE2 HIS 4 HE2 HIS 4 -1.548 9.981 -3.856
30 H TYR 5 H TYR 5 -2.695 7.028 -0.430
31 HA TYR 5 HA TYR 5 -1.590 7.358 1.462
32 HB2 TYR 5 HB2 TYR 5 -4.055 8.807 2.334
33 HB3 TYR 5 HB3 TYR 5 -2.634 8.681 3.379
34 HD1 TYR 5 HD1 TYR 5 -4.238 10.470 0.733
35 HD2 TYR 5 HD2 TYR 5 -0.465 9.665 2.491
36 HE1 TYR 5 HE1 TYR 5 -3.322 12.450 -0.362
37 HE2 TYR 5 HE2 TYR 5 0.475 11.644 1.400
38 HH TYR 5 HH TYR 5 -1.496 13.998 -0.051
39 H GLY 6 H GLY 6 -3.753 5.250 0.957
40 HA2 GLY 6 HA2 GLY 6 -4.014 4.203 3.677
41 HA3 GLY 6 HA3 GLY 6 -4.884 3.679 2.247
42 H GLN 7 H GLN 7 -3.586 1.830 3.923
43 HA GLN 7 HA GLN 7 -1.015 1.168 2.830
44 HB2 GLN 7 HB2 GLN 7 -1.837 0.664 5.197
45 HB3 GLN 7 HB3 GLN 7 -2.823 -0.599 4.477
46 HG2 GLN 7 HG2 GLN 7 -0.825 -1.724 3.664
47 HG3 GLN 7 HG3 GLN 7 0.195 -0.460 4.339
48 HE21 GLN 7 HE21 GLN 7 0.392 -3.209 4.981
49 HE22 GLN 7 HE22 GLN 7 0.004 -3.406 6.629
50 H CYS 8 H CYS 8 -0.703 0.071 0.996
51 HA CYS 8 HA CYS 8 -3.048 -1.207 -0.241
52 HB2 CYS 8 HB2 CYS 8 -1.774 -0.971 -2.335
53 HB3 CYS 8 HB3 CYS 8 -2.232 0.538 -1.575
54 H GLY 9 H GLY 9 -0.757 -2.409 1.562
55 HA2 GLY 9 HA2 GLY 9 -0.959 -4.932 1.320
56 HA3 GLY 9 HA3 GLY 9 -0.453 -4.650 -0.328
57 H GLY 10 H GLY 10 0.507 -4.538 2.976
58 HA2 GLY 10 HA2 GLY 10 3.277 -4.877 2.119
59 HA3 GLY 10 HA3 GLY 10 2.736 -4.545 3.774
60 H ILE 11 H ILE 11 4.322 -6.668 3.640
61 HA ILE 11 HA ILE 11 2.974 -9.087 3.080
62 HB ILE 11 HB ILE 11 5.241 -8.585 5.042
63 HG12 ILE 11 HG12 ILE 11 5.310 -9.497 2.152
64 HG13 ILE 11 HG13 ILE 11 5.767 -7.898 2.730
65 HG21 ILE 11 HG21 ILE 11 4.293 -11.158 3.761
66 HG22 ILE 11 HG22 ILE 11 4.089 -10.712 5.454
67 HG23 ILE 11 HG23 ILE 11 5.707 -10.993 4.807
68 HD11 ILE 11 HD11 ILE 11 7.603 -8.877 3.994
69 HD12 ILE 11 HD12 ILE 11 7.716 -9.297 2.281
70 HD13 ILE 11 HD13 ILE 11 7.124 -10.483 3.447
71 H GLY 12 H GLY 12 1.135 -9.679 4.021
72 HA2 GLY 12 HA2 GLY 12 0.210 -10.610 6.068
73 HA3 GLY 12 HA3 GLY 12 0.861 -9.210 6.912
74 H TYR 13 H TYR 13 -0.064 -7.827 4.210
75 HA TYR 13 HA TYR 13 -2.805 -7.296 5.175
76 HB2 TYR 13 HB2 TYR 13 -1.199 -5.344 5.031
77 HB3 TYR 13 HB3 TYR 13 -1.053 -5.648 3.312
78 HD1 TYR 13 HD1 TYR 13 -2.987 -4.073 5.919
79 HD2 TYR 13 HD2 TYR 13 -3.091 -5.227 1.822
80 HE1 TYR 13 HE1 TYR 13 -4.860 -2.513 5.518
81 HE2 TYR 13 HE2 TYR 13 -4.965 -3.651 1.439
82 HH TYR 13 HH TYR 13 -5.768 -1.254 3.504
83 H SER 14 H SER 14 -4.158 -8.606 4.051
84 HA SER 14 HA SER 14 -3.530 -9.089 1.227
85 HB2 SER 14 HB2 SER 14 -5.149 -10.797 3.119
86 HB3 SER 14 HB3 SER 14 -4.681 -11.217 1.472
87 HG SER 14 HG SER 14 -2.455 -10.563 2.684
88 H GLY 15 H GLY 15 -5.272 -7.066 2.861
89 HA2 GLY 15 HA2 GLY 15 -7.947 -7.244 1.810
90 HA3 GLY 15 HA3 GLY 15 -7.160 -5.885 2.566
91 HA PRO 16 HA PRO 16 -7.838 -4.486 -1.714
92 HB2 PRO 16 HB2 PRO 16 -7.634 -1.913 -0.252
93 HB3 PRO 16 HB3 PRO 16 -8.835 -2.434 -1.436
94 HG2 PRO 16 HG2 PRO 16 -9.414 -2.292 1.166
95 HG3 PRO 16 HG3 PRO 16 -10.080 -3.572 0.144
96 HD2 PRO 16 HD2 PRO 16 -7.837 -3.740 2.136
97 HD3 PRO 16 HD3 PRO 16 -9.095 -4.914 1.727
98 H THR 17 H THR 17 -5.835 -5.066 -2.454
99 HA THR 17 HA THR 17 -3.497 -3.502 -1.699
100 HB THR 17 HB THR 17 -2.360 -5.291 -3.127
101 HG1 THR 17 HG1 THR 17 -3.842 -6.284 -4.280
102 HG21 THR 17 HG21 THR 17 -2.492 -6.981 -1.349
103 HG22 THR 17 HG22 THR 17 -3.948 -6.213 -0.716
104 HG23 THR 17 HG23 THR 17 -2.408 -5.363 -0.650
105 H VAL 18 H VAL 18 -5.854 -3.579 -4.025
106 HA VAL 18 HA VAL 18 -4.151 -2.517 -6.147
107 HB VAL 18 HB VAL 18 -7.131 -3.123 -6.211
108 HG11 VAL 18 HG11 VAL 18 -6.496 -1.423 -7.838
109 HG12 VAL 18 HG12 VAL 18 -6.920 -2.933 -8.646
110 HG13 VAL 18 HG13 VAL 18 -5.225 -2.477 -8.463
111 HG21 VAL 18 HG21 VAL 18 -6.528 -5.103 -7.532
112 HG22 VAL 18 HG22 VAL 18 -5.801 -5.163 -5.923
113 HG23 VAL 18 HG23 VAL 18 -4.822 -4.720 -7.318
114 H CYS 19 H CYS 19 -3.759 -0.424 -5.978
115 HA CYS 19 HA CYS 19 -5.294 1.351 -4.425
116 HB2 CYS 19 HB2 CYS 19 -3.137 1.822 -6.469
117 HB3 CYS 19 HB3 CYS 19 -3.785 3.044 -5.384
118 H ALA 20 H ALA 20 -6.405 3.226 -5.137
119 HA ALA 20 HA ALA 20 -8.174 2.919 -7.303
120 HB1 ALA 20 HB1 ALA 20 -8.663 4.369 -5.379
121 HB2 ALA 20 HB2 ALA 20 -8.747 5.289 -6.877
122 HB3 ALA 20 HB3 ALA 20 -7.337 5.435 -5.833
123 H SER 21 H SER 21 -8.164 3.953 -9.362
124 HA SER 21 HA SER 21 -5.660 4.017 -10.591
125 HB2 SER 21 HB2 SER 21 -8.282 5.152 -11.576
126 HB3 SER 21 HB3 SER 21 -6.879 4.746 -12.566
127 HG SER 21 HG SER 21 -7.171 2.588 -11.417
128 H GLY 22 H GLY 22 -4.211 5.523 -10.831
129 HA2 GLY 22 HA2 GLY 22 -3.606 7.819 -11.173
130 HA3 GLY 22 HA3 GLY 22 -4.912 8.262 -10.075
131 H THR 23 H THR 23 -4.121 5.824 -8.388
132 HA THR 23 HA THR 23 -1.881 7.174 -7.089
133 HB THR 23 HB THR 23 -2.549 6.097 -4.985
134 HG1 THR 23 HG1 THR 23 -4.482 4.868 -6.648
135 HG21 THR 23 HG21 THR 23 -4.671 7.274 -4.596
136 HG22 THR 23 HG22 THR 23 -4.829 7.531 -6.334
137 HG23 THR 23 HG23 THR 23 -3.492 8.266 -5.445
138 H THR 24 H THR 24 -0.143 6.021 -6.440
139 HA THR 24 HA THR 24 0.137 3.422 -7.751
140 HB THR 24 HB THR 24 2.623 3.935 -7.610
141 HG1 THR 24 HG1 THR 24 1.550 6.325 -6.521
142 HG21 THR 24 HG21 THR 24 1.359 4.229 -9.698
143 HG22 THR 24 HG22 THR 24 2.574 5.495 -9.527
144 HG23 THR 24 HG23 THR 24 0.884 5.848 -9.183
145 H CYS 25 H CYS 25 0.793 1.640 -6.541
146 HA CYS 25 HA CYS 25 0.714 1.973 -3.678
147 HB2 CYS 25 HB2 CYS 25 -0.436 0.020 -4.627
148 HB3 CYS 25 HB3 CYS 25 1.065 -0.566 -5.333
149 H GLN 26 H GLN 26 2.446 2.826 -2.854
150 HA GLN 26 HA GLN 26 5.040 1.994 -3.873
151 HB2 GLN 26 HB2 GLN 26 4.201 4.359 -2.212
152 HB3 GLN 26 HB3 GLN 26 5.866 4.026 -2.658
153 HG2 GLN 26 HG2 GLN 26 5.253 4.202 -5.031
154 HG3 GLN 26 HG3 GLN 26 3.587 4.515 -4.573
155 HE21 GLN 26 HE21 GLN 26 3.529 6.442 -5.562
156 HE22 GLN 26 HE22 GLN 26 4.356 7.847 -5.000
157 H VAL 27 H VAL 27 6.052 0.534 -2.819
158 HA VAL 27 HA VAL 27 5.324 -0.250 -0.153
159 HB VAL 27 HB VAL 27 7.705 -1.141 -1.826
160 HG11 VAL 27 HG11 VAL 27 7.981 -1.662 0.546
161 HG12 VAL 27 HG12 VAL 27 7.720 -3.135 -0.384
162 HG13 VAL 27 HG13 VAL 27 6.408 -2.451 0.568
163 HG21 VAL 27 HG21 VAL 27 5.610 -1.582 -2.999
164 HG22 VAL 27 HG22 VAL 27 4.977 -2.408 -1.573
165 HG23 VAL 27 HG23 VAL 27 6.352 -3.086 -2.448
166 H LEU 28 H LEU 28 6.054 0.735 1.564
167 HA LEU 28 HA LEU 28 8.376 2.504 1.287
168 HB2 LEU 28 HB2 LEU 28 6.194 2.463 3.377
169 HB3 LEU 28 HB3 LEU 28 7.472 3.661 3.255
170 HG LEU 28 HG LEU 28 5.314 3.205 1.181
171 HD11 LEU 28 HD11 LEU 28 4.463 5.365 1.842
172 HD12 LEU 28 HD12 LEU 28 5.656 5.456 3.142
173 HD13 LEU 28 HD13 LEU 28 4.397 4.217 3.177
174 HD21 LEU 28 HD21 LEU 28 7.465 5.263 1.388
175 HD22 LEU 28 HD22 LEU 28 6.155 5.275 0.203
176 HD23 LEU 28 HD23 LEU 28 7.358 3.973 0.186
177 H ASN 29 H ASN 29 6.957 0.014 3.267
178 HA ASN 29 HA ASN 29 9.587 -0.691 4.314
179 HB2 ASN 29 HB2 ASN 29 7.005 -0.509 5.935
180 HB3 ASN 29 HB3 ASN 29 8.501 -1.211 6.505
181 HD21 ASN 29 HD21 ASN 29 6.816 1.740 5.823
182 HD22 ASN 29 HD22 ASN 29 7.931 2.803 6.600
183 HA PRO 30 HA PRO 30 8.331 -4.747 3.019
184 HB2 PRO 30 HB2 PRO 30 8.491 -5.755 5.804
185 HB3 PRO 30 HB3 PRO 30 9.256 -6.396 4.347
186 HG2 PRO 30 HG2 PRO 30 10.712 -5.054 6.106
187 HG3 PRO 30 HG3 PRO 30 10.943 -4.778 4.370
188 HD2 PRO 30 HD2 PRO 30 9.503 -3.100 6.381
189 HD3 PRO 30 HD3 PRO 30 10.545 -2.586 5.042
190 H TYR 31 H TYR 31 6.689 -3.538 5.895
191 HA TYR 31 HA TYR 31 4.368 -5.186 5.128
192 HB2 TYR 31 HB2 TYR 31 4.785 -3.840 7.807
193 HB3 TYR 31 HB3 TYR 31 3.613 -5.078 7.393
194 HD1 TYR 31 HD1 TYR 31 4.348 -7.423 7.084
195 HD2 TYR 31 HD2 TYR 31 7.059 -4.413 8.364
196 HE1 TYR 31 HE1 TYR 31 5.916 -9.158 7.812
197 HE2 TYR 31 HE2 TYR 31 8.642 -6.135 9.097
198 HH TYR 31 HH TYR 31 8.268 -9.420 8.256
199 H TYR 32 H TYR 32 5.533 -1.945 5.642
200 HA TYR 32 HA TYR 32 2.849 -0.884 5.327
201 HB2 TYR 32 HB2 TYR 32 4.234 0.085 7.119
202 HB3 TYR 32 HB3 TYR 32 5.404 0.609 5.916
203 HD1 TYR 32 HD1 TYR 32 5.350 2.901 5.458
204 HD2 TYR 32 HD2 TYR 32 1.701 0.870 6.368
205 HE1 TYR 32 HE1 TYR 32 4.149 4.985 5.268
206 HE2 TYR 32 HE2 TYR 32 0.486 2.978 6.151
207 HH TYR 32 HH TYR 32 1.909 5.807 4.842
208 H SER 33 H SER 33 2.109 -0.518 3.393
209 HA SER 33 HA SER 33 3.859 0.667 1.365
210 HB2 SER 33 HB2 SER 33 1.712 -1.427 0.856
211 HB3 SER 33 HB3 SER 33 2.792 -0.720 -0.347
212 HG SER 33 HG SER 33 3.354 -2.860 0.526
213 H GLN 34 H GLN 34 2.731 2.293 0.165
214 HA GLN 34 HA GLN 34 0.002 2.806 1.094
215 HB2 GLN 34 HB2 GLN 34 1.319 4.127 2.565
216 HB3 GLN 34 HB3 GLN 34 2.324 4.710 1.250
217 HG2 GLN 34 HG2 GLN 34 0.475 5.998 0.362
218 HG3 GLN 34 HG3 GLN 34 -0.584 5.353 1.616
219 HE21 GLN 34 HE21 GLN 34 -0.546 6.252 3.619
220 HE22 GLN 34 HE22 GLN 34 0.433 7.618 4.016
221 H CYS 35 H CYS 35 -1.357 3.591 -0.383
222 HA CYS 35 HA CYS 35 -0.535 3.845 -3.133
223 HB2 CYS 35 HB2 CYS 35 -3.189 4.591 -1.878
224 HB3 CYS 35 HB3 CYS 35 -2.852 4.421 -3.595
225 H LEU 36 H LEU 36 0.461 5.595 -3.840
226 HA LEU 36 HA LEU 36 -0.384 8.212 -2.842
227 HB2 LEU 36 HB2 LEU 36 2.379 7.279 -3.581
228 HB3 LEU 36 HB3 LEU 36 1.953 8.967 -3.422
229 HG LEU 36 HG LEU 36 1.723 6.949 -1.195
230 HD11 LEU 36 HD11 LEU 36 3.795 9.090 -1.667
231 HD12 LEU 36 HD12 LEU 36 4.058 7.348 -1.807
232 HD13 LEU 36 HD13 LEU 36 3.660 8.059 -0.242
233 HD21 LEU 36 HD21 LEU 36 1.446 8.955 0.199
234 HD22 LEU 36 HD22 LEU 36 0.147 8.772 -0.966
235 HD23 LEU 36 HD23 LEU 36 1.429 9.951 -1.255
236 H1 MAN 101 H1 MAN 101 -8.628 6.506 2.391
237 H2 MAN 101 H2 MAN 101 -6.533 5.831 3.545
238 H3 MAN 101 H3 MAN 101 -6.695 3.413 3.200
239 H4 MAN 101 H4 MAN 101 -9.012 3.503 5.195
240 H5 MAN 101 H5 MAN 101 -9.097 2.913 2.159
241 H61 MAN 101 H61 MAN 101 -11.163 3.130 4.370
242 H62 MAN 101 H62 MAN 101 -10.848 1.719 3.328
243 HO2 MAN 101 HO2 MAN 101 -8.285 6.824 4.702
244 HO3 MAN 101 HO3 MAN 101 -6.958 4.183 5.929
245 HO4 MAN 101 HO4 MAN 101 -7.669 1.654 5.176
246 HO6 MAN 101 HO6 MAN 101 -11.695 4.297 2.409
Start of MODEL 2
1 H1 THR 1 H1 THR 1 -11.754 0.806 -5.042
2 H2 THR 1 H2 THR 1 -11.566 -0.672 -4.243
3 H3 THR 1 H3 THR 1 -11.560 -0.624 -5.947
4 HA THR 1 HA THR 1 -9.348 -0.842 -5.192
5 HB THR 1 HB THR 1 -8.471 1.428 -5.947
6 HG1 THR 1 HG1 THR 1 -10.230 2.702 -6.951
7 HG21 THR 1 HG21 THR 1 -10.476 0.005 -7.706
8 HG22 THR 1 HG22 THR 1 -8.778 -0.442 -7.496
9 HG23 THR 1 HG23 THR 1 -9.201 1.093 -8.253
10 H GLN 2 H GLN 2 -7.588 -0.006 -3.974
11 HA GLN 2 HA GLN 2 -8.271 0.745 -1.322
12 HB2 GLN 2 HB2 GLN 2 -6.388 -0.770 -1.796
13 HB3 GLN 2 HB3 GLN 2 -5.580 0.497 -2.700
14 HG2 GLN 2 HG2 GLN 2 -4.636 0.282 -0.425
15 HG3 GLN 2 HG3 GLN 2 -5.388 1.835 -0.727
16 HE21 GLN 2 HE21 GLN 2 -5.764 2.270 1.198
17 HE22 GLN 2 HE22 GLN 2 -6.905 1.472 2.267
18 H SER 3 H SER 3 -7.850 2.641 -0.245
19 HA SER 3 HA SER 3 -8.263 4.933 -1.864
20 HB2 SER 3 HB2 SER 3 -8.699 6.027 0.275
21 HB3 SER 3 HB3 SER 3 -9.570 4.503 0.146
22 H HIS 4 H HIS 4 -7.165 6.833 -1.530
23 HA HIS 4 HA HIS 4 -4.342 6.685 -1.942
24 HB2 HIS 4 HB2 HIS 4 -5.971 8.431 -2.902
25 HB3 HIS 4 HB3 HIS 4 -5.952 9.187 -1.325
26 HD1 HIS 4 HD1 HIS 4 -5.044 11.298 -2.776
27 HD2 HIS 4 HD2 HIS 4 -2.457 8.072 -2.452
28 HE1 HIS 4 HE1 HIS 4 -2.813 12.160 -3.485
29 HE2 HIS 4 HE2 HIS 4 -1.441 10.066 -3.706
30 H TYR 5 H TYR 5 -2.725 6.913 -0.442
31 HA TYR 5 HA TYR 5 -1.639 7.145 1.439
32 HB2 TYR 5 HB2 TYR 5 -4.000 8.794 2.260
33 HB3 TYR 5 HB3 TYR 5 -2.710 8.453 3.411
34 HD1 TYR 5 HD1 TYR 5 -0.465 9.342 3.021
35 HD2 TYR 5 HD2 TYR 5 -3.688 10.360 0.460
36 HE1 TYR 5 HE1 TYR 5 0.845 11.207 2.139
37 HE2 TYR 5 HE2 TYR 5 -2.380 12.235 -0.445
38 HH TYR 5 HH TYR 5 -0.505 13.663 0.309
39 H GLY 6 H GLY 6 -4.020 5.208 0.966
40 HA2 GLY 6 HA2 GLY 6 -4.181 4.025 3.629
41 HA3 GLY 6 HA3 GLY 6 -5.024 3.526 2.179
42 H GLN 7 H GLN 7 -3.787 1.628 3.735
43 HA GLN 7 HA GLN 7 -1.138 1.120 2.745
44 HB2 GLN 7 HB2 GLN 7 -1.972 0.503 5.064
45 HB3 GLN 7 HB3 GLN 7 -2.936 -0.753 4.303
46 HG2 GLN 7 HG2 GLN 7 -0.936 -1.835 3.485
47 HG3 GLN 7 HG3 GLN 7 0.070 -0.553 4.146
48 HE21 GLN 7 HE21 GLN 7 0.281 -3.320 4.764
49 HE22 GLN 7 HE22 GLN 7 -0.088 -3.512 6.420
50 H CYS 8 H CYS 8 -0.622 -0.129 1.035
51 HA CYS 8 HA CYS 8 -2.924 -1.246 -0.437
52 HB2 CYS 8 HB2 CYS 8 -1.626 -0.815 -2.458
53 HB3 CYS 8 HB3 CYS 8 -2.014 0.631 -1.531
54 H GLY 9 H GLY 9 -0.471 -2.538 1.299
55 HA2 GLY 9 HA2 GLY 9 -0.685 -5.091 0.739
56 HA3 GLY 9 HA3 GLY 9 0.011 -4.569 -0.779
57 H GLY 10 H GLY 10 0.565 -4.575 2.663
58 HA2 GLY 10 HA2 GLY 10 3.437 -4.815 2.137
59 HA3 GLY 10 HA3 GLY 10 2.702 -4.466 3.705
60 H ILE 11 H ILE 11 4.434 -6.501 3.703
61 HA ILE 11 HA ILE 11 3.420 -9.039 3.130
62 HB ILE 11 HB ILE 11 5.222 -8.250 5.437
63 HG12 ILE 11 HG12 ILE 11 5.967 -9.236 2.673
64 HG13 ILE 11 HG13 ILE 11 6.090 -7.565 3.217
65 HG21 ILE 11 HG21 ILE 11 4.792 -10.944 4.137
66 HG22 ILE 11 HG22 ILE 11 4.273 -10.472 5.753
67 HG23 ILE 11 HG23 ILE 11 5.994 -10.586 5.379
68 HD11 ILE 11 HD11 ILE 11 7.715 -8.230 4.891
69 HD12 ILE 11 HD12 ILE 11 8.241 -8.697 3.266
70 HD13 ILE 11 HD13 ILE 11 7.567 -9.906 4.368
71 H GLY 12 H GLY 12 1.463 -9.704 3.781
72 HA2 GLY 12 HA2 GLY 12 0.300 -10.794 5.557
73 HA3 GLY 12 HA3 GLY 12 0.928 -9.582 6.659
74 H TYR 13 H TYR 13 0.101 -7.882 4.032
75 HA TYR 13 HA TYR 13 -2.437 -7.139 5.257
76 HB2 TYR 13 HB2 TYR 13 -0.868 -5.345 4.609
77 HB3 TYR 13 HB3 TYR 13 -0.942 -5.888 2.941
78 HD1 TYR 13 HD1 TYR 13 -2.500 -4.914 1.492
79 HD2 TYR 13 HD2 TYR 13 -3.118 -4.616 5.678
80 HE1 TYR 13 HE1 TYR 13 -4.357 -3.383 1.092
81 HE2 TYR 13 HE2 TYR 13 -4.993 -3.069 5.290
82 HH TYR 13 HH TYR 13 -6.125 -2.354 2.024
83 H SER 14 H SER 14 -4.110 -8.324 4.688
84 HA SER 14 HA SER 14 -4.205 -9.388 1.975
85 HB2 SER 14 HB2 SER 14 -5.726 -10.241 4.441
86 HB3 SER 14 HB3 SER 14 -5.683 -11.077 2.885
87 HG SER 14 HG SER 14 -3.286 -11.026 3.262
88 H GLY 15 H GLY 15 -5.057 -6.690 3.108
89 HA2 GLY 15 HA2 GLY 15 -7.898 -6.609 2.480
90 HA3 GLY 15 HA3 GLY 15 -6.882 -5.248 2.936
91 HA PRO 16 HA PRO 16 -7.758 -4.896 -1.633
92 HB2 PRO 16 HB2 PRO 16 -7.742 -2.038 -0.808
93 HB3 PRO 16 HB3 PRO 16 -8.887 -2.889 -1.851
94 HG2 PRO 16 HG2 PRO 16 -9.581 -2.203 0.618
95 HG3 PRO 16 HG3 PRO 16 -10.067 -3.770 -0.053
96 HD2 PRO 16 HD2 PRO 16 -7.853 -3.156 1.877
97 HD3 PRO 16 HD3 PRO 16 -9.007 -4.494 1.890
98 H THR 17 H THR 17 -5.863 -5.203 -2.665
99 HA THR 17 HA THR 17 -3.546 -3.585 -1.913
100 HB THR 17 HB THR 17 -2.353 -5.396 -3.304
101 HG1 THR 17 HG1 THR 17 -4.308 -7.191 -2.640
102 HG21 THR 17 HG21 THR 17 -2.204 -5.256 -0.865
103 HG22 THR 17 HG22 THR 17 -2.315 -6.944 -1.378
104 HG23 THR 17 HG23 THR 17 -3.726 -6.128 -0.709
105 H VAL 18 H VAL 18 -5.937 -3.398 -4.073
106 HA VAL 18 HA VAL 18 -4.165 -2.487 -6.223
107 HB VAL 18 HB VAL 18 -7.140 -3.080 -6.372
108 HG11 VAL 18 HG11 VAL 18 -6.843 -2.890 -8.806
109 HG12 VAL 18 HG12 VAL 18 -5.160 -2.433 -8.555
110 HG13 VAL 18 HG13 VAL 18 -6.453 -1.382 -7.977
111 HG21 VAL 18 HG21 VAL 18 -6.495 -5.041 -7.692
112 HG22 VAL 18 HG22 VAL 18 -5.849 -5.123 -6.049
113 HG23 VAL 18 HG23 VAL 18 -4.799 -4.671 -7.392
114 H CYS 19 H CYS 19 -3.757 -0.417 -6.010
115 HA CYS 19 HA CYS 19 -5.314 1.369 -4.486
116 HB2 CYS 19 HB2 CYS 19 -3.071 1.842 -6.437
117 HB3 CYS 19 HB3 CYS 19 -3.743 3.046 -5.343
118 H ALA 20 H ALA 20 -6.376 3.235 -5.189
119 HA ALA 20 HA ALA 20 -8.073 2.960 -7.386
120 HB1 ALA 20 HB1 ALA 20 -7.301 5.448 -5.860
121 HB2 ALA 20 HB2 ALA 20 -8.614 4.334 -5.456
122 HB3 ALA 20 HB3 ALA 20 -8.692 5.285 -6.936
123 H SER 21 H SER 21 -8.075 3.961 -9.394
124 HA SER 21 HA SER 21 -5.663 4.189 -10.733
125 HB2 SER 21 HB2 SER 21 -8.329 5.421 -11.453
126 HB3 SER 21 HB3 SER 21 -7.014 5.030 -12.566
127 HG SER 21 HG SER 21 -7.246 2.824 -11.788
128 H GLY 22 H GLY 22 -4.189 5.768 -10.819
129 HA2 GLY 22 HA2 GLY 22 -3.649 8.090 -11.026
130 HA3 GLY 22 HA3 GLY 22 -4.984 8.446 -9.931
131 H THR 23 H THR 23 -3.985 5.880 -8.426
132 HA THR 23 HA THR 23 -1.796 7.252 -7.064
133 HB THR 23 HB THR 23 -2.483 6.155 -4.981
134 HG1 THR 23 HG1 THR 23 -4.430 4.982 -6.669
135 HG21 THR 23 HG21 THR 23 -4.757 7.629 -6.311
136 HG22 THR 23 HG22 THR 23 -3.399 8.362 -5.457
137 HG23 THR 23 HG23 THR 23 -4.573 7.389 -4.574
138 H THR 24 H THR 24 -0.054 6.014 -6.393
139 HA THR 24 HA THR 24 0.091 3.384 -7.699
140 HB THR 24 HB THR 24 2.582 3.741 -7.703
141 HG1 THR 24 HG1 THR 24 1.781 6.143 -6.487
142 HG21 THR 24 HG21 THR 24 0.923 5.792 -9.168
143 HG22 THR 24 HG22 THR 24 1.284 4.154 -9.719
144 HG23 THR 24 HG23 THR 24 2.576 5.343 -9.570
145 H CYS 25 H CYS 25 0.734 1.618 -6.512
146 HA CYS 25 HA CYS 25 0.713 1.961 -3.663
147 HB2 CYS 25 HB2 CYS 25 -0.369 0.009 -4.589
148 HB3 CYS 25 HB3 CYS 25 1.118 -0.545 -5.344
149 H GLN 26 H GLN 26 2.437 2.710 -2.694
150 HA GLN 26 HA GLN 26 5.039 1.933 -3.746
151 HB2 GLN 26 HB2 GLN 26 4.235 4.235 -1.981
152 HB3 GLN 26 HB3 GLN 26 5.883 3.906 -2.487
153 HG2 GLN 26 HG2 GLN 26 5.149 4.178 -4.844
154 HG3 GLN 26 HG3 GLN 26 3.545 4.607 -4.260
155 HE21 GLN 26 HE21 GLN 26 3.586 6.619 -5.119
156 HE22 GLN 26 HE22 GLN 26 4.615 7.886 -4.515
157 H VAL 27 H VAL 27 5.845 0.270 -2.729
158 HA VAL 27 HA VAL 27 5.152 -0.366 -0.031
159 HB VAL 27 HB VAL 27 7.365 -1.531 -1.778
160 HG11 VAL 27 HG11 VAL 27 6.113 -2.611 0.740
161 HG12 VAL 27 HG12 VAL 27 7.733 -1.940 0.601
162 HG13 VAL 27 HG13 VAL 27 7.323 -3.439 -0.247
163 HG21 VAL 27 HG21 VAL 27 5.164 -1.853 -2.781
164 HG22 VAL 27 HG22 VAL 27 4.572 -2.557 -1.275
165 HG23 VAL 27 HG23 VAL 27 5.822 -3.385 -2.201
166 H LEU 28 H LEU 28 5.773 1.015 1.391
167 HA LEU 28 HA LEU 28 8.173 2.617 1.116
168 HB2 LEU 28 HB2 LEU 28 6.076 2.553 3.280
169 HB3 LEU 28 HB3 LEU 28 7.329 3.765 3.104
170 HG LEU 28 HG LEU 28 5.085 3.298 1.132
171 HD11 LEU 28 HD11 LEU 28 4.252 5.442 1.918
172 HD12 LEU 28 HD12 LEU 28 5.496 5.463 3.178
173 HD13 LEU 28 HD13 LEU 28 4.240 4.218 3.187
174 HD21 LEU 28 HD21 LEU 28 7.097 4.157 0.101
175 HD22 LEU 28 HD22 LEU 28 7.163 5.421 1.338
176 HD23 LEU 28 HD23 LEU 28 5.829 5.390 0.181
177 H ASN 29 H ASN 29 6.872 0.095 3.148
178 HA ASN 29 HA ASN 29 9.503 -0.413 4.313
179 HB2 ASN 29 HB2 ASN 29 6.891 -0.549 5.888
180 HB3 ASN 29 HB3 ASN 29 8.479 -0.918 6.489
181 HD21 ASN 29 HD21 ASN 29 7.370 1.944 4.739
182 HD22 ASN 29 HD22 ASN 29 7.735 3.084 5.981
183 HA PRO 30 HA PRO 30 8.506 -4.582 3.119
184 HB2 PRO 30 HB2 PRO 30 8.664 -5.464 5.960
185 HB3 PRO 30 HB3 PRO 30 9.483 -6.123 4.541
186 HG2 PRO 30 HG2 PRO 30 10.851 -4.637 6.248
187 HG3 PRO 30 HG3 PRO 30 11.085 -4.430 4.502
188 HD2 PRO 30 HD2 PRO 30 9.546 -2.734 6.420
189 HD3 PRO 30 HD3 PRO 30 10.579 -2.233 5.065
190 H TYR 31 H TYR 31 6.790 -3.496 6.053
191 HA TYR 31 HA TYR 31 4.540 -5.176 5.179
192 HB2 TYR 31 HB2 TYR 31 4.893 -3.866 7.892
193 HB3 TYR 31 HB3 TYR 31 3.679 -5.049 7.433
194 HD1 TYR 31 HD1 TYR 31 4.215 -7.400 7.314
195 HD2 TYR 31 HD2 TYR 31 7.227 -4.553 8.263
196 HE1 TYR 31 HE1 TYR 31 5.705 -9.220 8.038
197 HE2 TYR 31 HE2 TYR 31 8.719 -6.353 8.982
198 HH TYR 31 HH TYR 31 8.415 -8.717 9.860
199 H TYR 32 H TYR 32 5.589 -1.930 5.675
200 HA TYR 32 HA TYR 32 2.869 -0.971 5.370
201 HB2 TYR 32 HB2 TYR 32 4.288 0.064 7.120
202 HB3 TYR 32 HB3 TYR 32 5.345 0.675 5.853
203 HD1 TYR 32 HD1 TYR 32 1.710 0.597 6.562
204 HD2 TYR 32 HD2 TYR 32 5.044 2.900 5.284
205 HE1 TYR 32 HE1 TYR 32 0.268 2.549 6.370
206 HE2 TYR 32 HE2 TYR 32 3.628 4.864 5.078
207 HH TYR 32 HH TYR 32 1.254 5.429 4.823
208 H SER 33 H SER 33 2.109 -0.705 3.437
209 HA SER 33 HA SER 33 3.792 0.539 1.380
210 HB2 SER 33 HB2 SER 33 1.625 -1.541 0.922
211 HB3 SER 33 HB3 SER 33 2.711 -0.863 -0.296
212 HG SER 33 HG SER 33 3.306 -2.996 0.561
213 H GLN 34 H GLN 34 2.677 2.210 0.277
214 HA GLN 34 HA GLN 34 -0.055 2.701 1.201
215 HB2 GLN 34 HB2 GLN 34 1.231 3.998 2.714
216 HB3 GLN 34 HB3 GLN 34 2.294 4.561 1.442
217 HG2 GLN 34 HG2 GLN 34 0.539 5.965 0.550
218 HG3 GLN 34 HG3 GLN 34 -0.602 5.307 1.721
219 HE21 GLN 34 HE21 GLN 34 -0.661 6.143 3.755
220 HE22 GLN 34 HE22 GLN 34 0.327 7.451 4.276
221 H CYS 35 H CYS 35 -1.410 3.506 -0.279
222 HA CYS 35 HA CYS 35 -0.553 3.731 -3.011
223 HB2 CYS 35 HB2 CYS 35 -3.207 4.521 -1.794
224 HB3 CYS 35 HB3 CYS 35 -2.841 4.382 -3.508
225 H LEU 36 H LEU 36 0.592 5.409 -3.568
226 HA LEU 36 HA LEU 36 -0.340 8.045 -2.746
227 HB2 LEU 36 HB2 LEU 36 2.466 7.123 -3.361
228 HB3 LEU 36 HB3 LEU 36 2.009 8.802 -3.176
229 HG LEU 36 HG LEU 36 1.779 6.714 -1.012
230 HD11 LEU 36 HD11 LEU 36 3.779 8.941 -1.390
231 HD12 LEU 36 HD12 LEU 36 4.109 7.214 -1.541
232 HD13 LEU 36 HD13 LEU 36 3.655 7.891 0.023
233 HD21 LEU 36 HD21 LEU 36 1.375 9.701 -0.990
234 HD22 LEU 36 HD22 LEU 36 1.386 8.659 0.432
235 HD23 LEU 36 HD23 LEU 36 0.127 8.472 -0.786
236 H1 MAN 101 H1 MAN 101 -9.282 5.704 2.529
237 H2 MAN 101 H2 MAN 101 -7.203 5.302 3.892
238 H3 MAN 101 H3 MAN 101 -6.731 3.044 3.203
239 H4 MAN 101 H4 MAN 101 -9.203 2.315 4.796
240 H5 MAN 101 H5 MAN 101 -8.728 2.116 1.778
241 H61 MAN 101 H61 MAN 101 -10.241 0.412 2.839
242 H62 MAN 101 H62 MAN 101 -11.016 1.412 1.591
243 HO2 MAN 101 HO2 MAN 101 -8.333 4.543 5.759
244 HO3 MAN 101 HO3 MAN 101 -6.591 2.163 5.359
245 HO4 MAN 101 HO4 MAN 101 -8.572 0.201 4.003
246 HO6 MAN 101 HO6 MAN 101 -11.860 2.705 3.224
Start of MODEL 3
1 H1 THR 1 H1 THR 1 -11.300 -1.048 -4.483
2 H2 THR 1 H2 THR 1 -11.458 -0.691 -6.117
3 H3 THR 1 H3 THR 1 -11.866 0.477 -4.949
4 HA THR 1 HA THR 1 -9.189 -0.501 -5.556
5 HB THR 1 HB THR 1 -8.977 2.043 -5.895
6 HG1 THR 1 HG1 THR 1 -11.122 2.859 -6.709
7 HG21 THR 1 HG21 THR 1 -10.586 0.429 -7.896
8 HG22 THR 1 HG22 THR 1 -8.831 0.391 -7.731
9 HG23 THR 1 HG23 THR 1 -9.633 1.871 -8.251
10 H GLN 2 H GLN 2 -7.677 -0.035 -4.059
11 HA GLN 2 HA GLN 2 -8.455 0.675 -1.433
12 HB2 GLN 2 HB2 GLN 2 -6.607 -0.892 -1.863
13 HB3 GLN 2 HB3 GLN 2 -5.713 0.367 -2.703
14 HG2 GLN 2 HG2 GLN 2 -4.911 -0.016 -0.415
15 HG3 GLN 2 HG3 GLN 2 -5.486 1.625 -0.692
16 HE21 GLN 2 HE21 GLN 2 -6.060 2.128 1.177
17 HE22 GLN 2 HE22 GLN 2 -7.255 1.400 2.219
18 H SER 3 H SER 3 -8.065 2.613 -0.338
19 HA SER 3 HA SER 3 -8.354 4.857 -2.036
20 HB2 SER 3 HB2 SER 3 -8.824 6.045 0.021
21 HB3 SER 3 HB3 SER 3 -9.699 4.512 0.010
22 H HIS 4 H HIS 4 -7.260 6.828 -1.440
23 HA HIS 4 HA HIS 4 -4.439 6.639 -1.899
24 HB2 HIS 4 HB2 HIS 4 -6.206 8.434 -2.634
25 HB3 HIS 4 HB3 HIS 4 -5.911 9.128 -1.052
26 HD1 HIS 4 HD1 HIS 4 -5.312 10.820 -3.461
27 HD2 HIS 4 HD2 HIS 4 -2.486 8.292 -1.786
28 HE1 HIS 4 HE1 HIS 4 -3.115 11.644 -4.288
29 HE2 HIS 4 HE2 HIS 4 -1.615 9.744 -3.716
30 H TYR 5 H TYR 5 -2.832 6.842 -0.348
31 HA TYR 5 HA TYR 5 -1.787 6.964 1.593
32 HB2 TYR 5 HB2 TYR 5 -4.219 8.470 2.521
33 HB3 TYR 5 HB3 TYR 5 -2.869 8.127 3.602
34 HD1 TYR 5 HD1 TYR 5 -4.159 10.273 1.040
35 HD2 TYR 5 HD2 TYR 5 -0.600 9.023 2.977
36 HE1 TYR 5 HE1 TYR 5 -3.013 12.274 0.215
37 HE2 TYR 5 HE2 TYR 5 0.560 11.017 2.156
38 HH TYR 5 HH TYR 5 -1.038 13.652 0.882
39 H GLY 6 H GLY 6 -4.025 4.982 0.919
40 HA2 GLY 6 HA2 GLY 6 -4.306 3.764 3.538
41 HA3 GLY 6 HA3 GLY 6 -5.088 3.298 2.045
42 H GLN 7 H GLN 7 -3.648 1.598 3.864
43 HA GLN 7 HA GLN 7 -1.128 0.937 2.740
44 HB2 GLN 7 HB2 GLN 7 -1.955 0.383 5.075
45 HB3 GLN 7 HB3 GLN 7 -2.936 -0.883 4.347
46 HG2 GLN 7 HG2 GLN 7 -0.916 -1.983 3.551
47 HG3 GLN 7 HG3 GLN 7 0.088 -0.714 4.243
48 HE21 GLN 7 HE21 GLN 7 0.349 -3.431 4.939
49 HE22 GLN 7 HE22 GLN 7 -0.176 -3.638 6.553
50 H CYS 8 H CYS 8 -0.722 -0.187 0.946
51 HA CYS 8 HA CYS 8 -3.040 -1.341 -0.453
52 HB2 CYS 8 HB2 CYS 8 -1.694 -1.051 -2.482
53 HB3 CYS 8 HB3 CYS 8 -2.056 0.445 -1.633
54 H GLY 9 H GLY 9 -0.783 -2.635 1.405
55 HA2 GLY 9 HA2 GLY 9 -0.981 -5.166 1.162
56 HA3 GLY 9 HA3 GLY 9 -0.515 -4.880 -0.497
57 H GLY 10 H GLY 10 0.591 -4.358 2.769
58 HA2 GLY 10 HA2 GLY 10 3.346 -4.917 1.906
59 HA3 GLY 10 HA3 GLY 10 2.851 -4.268 3.476
60 H ILE 11 H ILE 11 4.429 -6.340 3.758
61 HA ILE 11 HA ILE 11 3.280 -8.883 3.635
62 HB ILE 11 HB ILE 11 5.272 -7.882 5.703
63 HG12 ILE 11 HG12 ILE 11 5.755 -9.274 3.052
64 HG13 ILE 11 HG13 ILE 11 6.025 -7.565 3.361
65 HG21 ILE 11 HG21 ILE 11 4.608 -10.700 4.820
66 HG22 ILE 11 HG22 ILE 11 4.230 -9.983 6.385
67 HG23 ILE 11 HG23 ILE 11 5.912 -10.256 5.922
68 HD11 ILE 11 HD11 ILE 11 8.106 -8.812 3.398
69 HD12 ILE 11 HD12 ILE 11 7.481 -9.851 4.679
70 HD13 ILE 11 HD13 ILE 11 7.757 -8.136 4.989
71 H GLY 12 H GLY 12 1.476 -9.589 4.502
72 HA2 GLY 12 HA2 GLY 12 0.424 -10.312 6.536
73 HA3 GLY 12 HA3 GLY 12 0.834 -8.753 7.237
74 H TYR 13 H TYR 13 0.068 -7.426 4.681
75 HA TYR 13 HA TYR 13 -2.684 -6.955 5.459
76 HB2 TYR 13 HB2 TYR 13 -1.112 -5.104 4.800
77 HB3 TYR 13 HB3 TYR 13 -1.128 -5.733 3.167
78 HD1 TYR 13 HD1 TYR 13 -3.232 -4.185 5.784
79 HD2 TYR 13 HD2 TYR 13 -2.911 -5.142 1.655
80 HE1 TYR 13 HE1 TYR 13 -5.174 -2.749 5.299
81 HE2 TYR 13 HE2 TYR 13 -4.839 -3.723 1.168
82 HH TYR 13 HH TYR 13 -6.558 -2.608 2.068
83 H SER 14 H SER 14 -4.211 -8.222 4.827
84 HA SER 14 HA SER 14 -4.037 -9.616 2.280
85 HB2 SER 14 HB2 SER 14 -5.964 -10.888 3.404
86 HB3 SER 14 HB3 SER 14 -4.332 -11.138 4.029
87 HG SER 14 HG SER 14 -6.416 -10.421 5.376
88 H GLY 15 H GLY 15 -5.337 -6.835 3.453
89 HA2 GLY 15 HA2 GLY 15 -7.974 -6.934 2.344
90 HA3 GLY 15 HA3 GLY 15 -7.121 -5.497 2.871
91 HA PRO 16 HA PRO 16 -7.707 -5.221 -1.777
92 HB2 PRO 16 HB2 PRO 16 -7.850 -2.368 -0.917
93 HB3 PRO 16 HB3 PRO 16 -8.862 -3.242 -2.076
94 HG2 PRO 16 HG2 PRO 16 -9.819 -2.668 0.318
95 HG3 PRO 16 HG3 PRO 16 -10.115 -4.263 -0.395
96 HD2 PRO 16 HD2 PRO 16 -8.116 -3.491 1.708
97 HD3 PRO 16 HD3 PRO 16 -9.170 -4.910 1.639
98 H THR 17 H THR 17 -5.927 -5.220 -2.957
99 HA THR 17 HA THR 17 -3.598 -3.691 -2.055
100 HB THR 17 HB THR 17 -2.331 -5.409 -3.440
101 HG1 THR 17 HG1 THR 17 -3.643 -7.426 -3.513
102 HG21 THR 17 HG21 THR 17 -2.436 -5.467 -0.990
103 HG22 THR 17 HG22 THR 17 -2.438 -7.101 -1.663
104 HG23 THR 17 HG23 THR 17 -3.937 -6.386 -1.073
105 H VAL 18 H VAL 18 -5.969 -3.504 -4.265
106 HA VAL 18 HA VAL 18 -4.230 -2.477 -6.387
107 HB VAL 18 HB VAL 18 -7.200 -3.137 -6.474
108 HG11 VAL 18 HG11 VAL 18 -7.062 -2.682 -8.885
109 HG12 VAL 18 HG12 VAL 18 -5.390 -2.153 -8.680
110 HG13 VAL 18 HG13 VAL 18 -6.699 -1.242 -7.932
111 HG21 VAL 18 HG21 VAL 18 -6.532 -4.918 -8.014
112 HG22 VAL 18 HG22 VAL 18 -5.744 -5.112 -6.442
113 HG23 VAL 18 HG23 VAL 18 -4.842 -4.465 -7.808
114 H CYS 19 H CYS 19 -3.785 -0.402 -6.166
115 HA CYS 19 HA CYS 19 -5.279 1.342 -4.549
116 HB2 CYS 19 HB2 CYS 19 -3.045 1.850 -6.495
117 HB3 CYS 19 HB3 CYS 19 -3.687 3.031 -5.367
118 H ALA 20 H ALA 20 -6.011 3.426 -5.231
119 HA ALA 20 HA ALA 20 -7.988 3.337 -7.242
120 HB1 ALA 20 HB1 ALA 20 -8.237 4.609 -5.200
121 HB2 ALA 20 HB2 ALA 20 -8.325 5.693 -6.594
122 HB3 ALA 20 HB3 ALA 20 -6.857 5.611 -5.630
123 H SER 21 H SER 21 -8.172 4.919 -9.009
124 HA SER 21 HA SER 21 -6.030 4.759 -10.786
125 HB2 SER 21 HB2 SER 21 -8.394 6.632 -10.910
126 HB3 SER 21 HB3 SER 21 -7.484 5.961 -12.260
127 HG SER 21 HG SER 21 -8.410 4.005 -11.948
128 H GLY 22 H GLY 22 -4.238 5.923 -10.719
129 HA2 GLY 22 HA2 GLY 22 -3.201 8.049 -11.019
130 HA3 GLY 22 HA3 GLY 22 -4.386 8.739 -9.911
131 H THR 23 H THR 23 -3.845 6.048 -8.367
132 HA THR 23 HA THR 23 -1.583 7.223 -6.937
133 HB THR 23 HB THR 23 -2.376 6.098 -4.917
134 HG1 THR 23 HG1 THR 23 -4.306 5.045 -6.710
135 HG21 THR 23 HG21 THR 23 -4.447 7.375 -4.558
136 HG22 THR 23 HG22 THR 23 -4.556 7.664 -6.293
137 HG23 THR 23 HG23 THR 23 -3.216 8.340 -5.369
138 H THR 24 H THR 24 0.077 5.989 -6.294
139 HA THR 24 HA THR 24 0.302 3.420 -7.668
140 HB THR 24 HB THR 24 2.807 3.811 -7.327
141 HG1 THR 24 HG1 THR 24 1.776 6.302 -6.434
142 HG21 THR 24 HG21 THR 24 1.257 5.694 -9.105
143 HG22 THR 24 HG22 THR 24 1.741 4.047 -9.505
144 HG23 THR 24 HG23 THR 24 2.964 5.299 -9.295
145 H CYS 25 H CYS 25 0.798 1.602 -6.511
146 HA CYS 25 HA CYS 25 0.703 1.829 -3.652
147 HB2 CYS 25 HB2 CYS 25 -0.418 -0.064 -4.658
148 HB3 CYS 25 HB3 CYS 25 1.055 -0.610 -5.439
149 H GLN 26 H GLN 26 2.430 2.712 -2.802
150 HA GLN 26 HA GLN 26 5.018 1.924 -3.823
151 HB2 GLN 26 HB2 GLN 26 4.215 4.210 -2.051
152 HB3 GLN 26 HB3 GLN 26 5.867 3.866 -2.554
153 HG2 GLN 26 HG2 GLN 26 5.207 4.127 -4.889
154 HG3 GLN 26 HG3 GLN 26 3.563 4.488 -4.376
155 HE21 GLN 26 HE21 GLN 26 3.565 6.433 -5.298
156 HE22 GLN 26 HE22 GLN 26 4.452 7.787 -4.696
157 H VAL 27 H VAL 27 6.055 0.437 -2.856
158 HA VAL 27 HA VAL 27 5.424 -0.413 -0.205
159 HB VAL 27 HB VAL 27 7.820 -1.151 -1.933
160 HG11 VAL 27 HG11 VAL 27 6.587 -2.581 0.417
161 HG12 VAL 27 HG12 VAL 27 8.114 -1.703 0.423
162 HG13 VAL 27 HG13 VAL 27 7.946 -3.167 -0.545
163 HG21 VAL 27 HG21 VAL 27 5.749 -1.688 -3.109
164 HG22 VAL 27 HG22 VAL 27 5.160 -2.560 -1.693
165 HG23 VAL 27 HG23 VAL 27 6.561 -3.161 -2.575
166 H LEU 28 H LEU 28 5.834 1.136 1.212
167 HA LEU 28 HA LEU 28 8.163 2.817 1.035
168 HB2 LEU 28 HB2 LEU 28 5.990 2.610 3.118
169 HB3 LEU 28 HB3 LEU 28 7.228 3.850 3.087
170 HG LEU 28 HG LEU 28 5.172 3.460 0.901
171 HD11 LEU 28 HD11 LEU 28 4.110 4.184 2.976
172 HD12 LEU 28 HD12 LEU 28 4.124 5.470 1.769
173 HD13 LEU 28 HD13 LEU 28 5.270 5.506 3.108
174 HD21 LEU 28 HD21 LEU 28 5.920 5.660 0.175
175 HD22 LEU 28 HD22 LEU 28 7.237 4.480 0.145
176 HD23 LEU 28 HD23 LEU 28 7.128 5.659 1.462
177 H ASN 29 H ASN 29 7.004 0.114 2.877
178 HA ASN 29 HA ASN 29 9.662 -0.457 3.851
179 HB2 ASN 29 HB2 ASN 29 7.223 -0.323 5.690
180 HB3 ASN 29 HB3 ASN 29 8.813 -0.911 6.117
181 HD21 ASN 29 HD21 ASN 29 6.892 1.901 5.530
182 HD22 ASN 29 HD22 ASN 29 7.992 3.061 6.172
183 HA PRO 30 HA PRO 30 8.398 -4.568 2.737
184 HB2 PRO 30 HB2 PRO 30 8.734 -5.499 5.537
185 HB3 PRO 30 HB3 PRO 30 9.404 -6.176 4.050
186 HG2 PRO 30 HG2 PRO 30 10.972 -4.770 5.656
187 HG3 PRO 30 HG3 PRO 30 11.070 -4.541 3.900
188 HD2 PRO 30 HD2 PRO 30 9.771 -2.822 5.967
189 HD3 PRO 30 HD3 PRO 30 10.703 -2.343 4.535
190 H TYR 31 H TYR 31 6.975 -3.567 5.863
191 HA TYR 31 HA TYR 31 4.621 -5.206 5.215
192 HB2 TYR 31 HB2 TYR 31 5.244 -3.713 7.784
193 HB3 TYR 31 HB3 TYR 31 3.941 -4.853 7.520
194 HD1 TYR 31 HD1 TYR 31 4.265 -7.147 7.934
195 HD2 TYR 31 HD2 TYR 31 7.666 -4.609 7.661
196 HE1 TYR 31 HE1 TYR 31 5.690 -8.964 8.725
197 HE2 TYR 31 HE2 TYR 31 9.092 -6.392 8.442
198 HH TYR 31 HH TYR 31 8.942 -8.445 9.694
199 H TYR 32 H TYR 32 5.749 -1.950 5.494
200 HA TYR 32 HA TYR 32 3.028 -0.950 5.315
201 HB2 TYR 32 HB2 TYR 32 4.618 0.071 6.945
202 HB3 TYR 32 HB3 TYR 32 5.546 0.667 5.575
203 HD1 TYR 32 HD1 TYR 32 5.291 2.947 5.328
204 HD2 TYR 32 HD2 TYR 32 1.915 0.575 6.380
205 HE1 TYR 32 HE1 TYR 32 3.909 4.927 5.289
206 HE2 TYR 32 HE2 TYR 32 0.496 2.557 6.336
207 HH TYR 32 HH TYR 32 0.720 4.888 6.604
208 H SER 33 H SER 33 2.179 -0.723 3.405
209 HA SER 33 HA SER 33 3.792 0.483 1.285
210 HB2 SER 33 HB2 SER 33 1.773 -1.760 0.908
211 HB3 SER 33 HB3 SER 33 2.740 -0.997 -0.356
212 HG SER 33 HG SER 33 4.435 -1.824 1.487
213 H GLN 34 H GLN 34 2.643 2.110 0.234
214 HA GLN 34 HA GLN 34 -0.121 2.480 1.114
215 HB2 GLN 34 HB2 GLN 34 1.134 3.786 2.682
216 HB3 GLN 34 HB3 GLN 34 2.145 4.441 1.408
217 HG2 GLN 34 HG2 GLN 34 0.301 5.728 0.547
218 HG3 GLN 34 HG3 GLN 34 -0.787 4.991 1.714
219 HE21 GLN 34 HE21 GLN 34 -0.838 5.762 3.766
220 HE22 GLN 34 HE22 GLN 34 0.073 7.130 4.278
221 H CYS 35 H CYS 35 -1.462 3.357 -0.356
222 HA CYS 35 HA CYS 35 -0.572 3.704 -3.063
223 HB2 CYS 35 HB2 CYS 35 -3.248 4.430 -1.854
224 HB3 CYS 35 HB3 CYS 35 -2.857 4.288 -3.565
225 H LEU 36 H LEU 36 0.494 5.441 -3.631
226 HA LEU 36 HA LEU 36 -0.357 8.029 -2.590
227 HB2 LEU 36 HB2 LEU 36 2.413 7.062 -3.259
228 HB3 LEU 36 HB3 LEU 36 2.021 8.757 -3.027
229 HG LEU 36 HG LEU 36 1.632 6.626 -0.925
230 HD11 LEU 36 HD11 LEU 36 3.557 7.593 0.183
231 HD12 LEU 36 HD12 LEU 36 3.781 8.727 -1.147
232 HD13 LEU 36 HD13 LEU 36 4.015 6.997 -1.414
233 HD21 LEU 36 HD21 LEU 36 1.441 9.631 -0.831
234 HD22 LEU 36 HD22 LEU 36 1.336 8.553 0.558
235 HD23 LEU 36 HD23 LEU 36 0.101 8.493 -0.690
236 H1 MAN 101 H1 MAN 101 -9.186 6.020 2.323
237 H2 MAN 101 H2 MAN 101 -7.049 5.584 3.471
238 H3 MAN 101 H3 MAN 101 -6.872 3.209 2.810
239 H4 MAN 101 H4 MAN 101 -9.054 2.834 4.859
240 H5 MAN 101 H5 MAN 101 -9.096 2.355 1.828
241 H61 MAN 101 H61 MAN 101 -11.227 2.246 3.986
242 H62 MAN 101 H62 MAN 101 -10.576 0.838 3.144
243 HO2 MAN 101 HO2 MAN 101 -8.911 6.143 4.692
244 HO3 MAN 101 HO3 MAN 101 -7.041 3.711 5.598
245 HO4 MAN 101 HO4 MAN 101 -7.414 1.248 4.689
246 HO6 MAN 101 HO6 MAN 101 -11.865 3.057 1.866
Start of MODEL 4
1 H1 THR 1 H1 THR 1 -11.090 -1.452 -4.145
2 H2 THR 1 H2 THR 1 -11.497 -0.910 -5.710
3 H3 THR 1 H3 THR 1 -11.851 0.041 -4.355
4 HA THR 1 HA THR 1 -9.164 -0.608 -5.247
5 HB THR 1 HB THR 1 -9.200 1.941 -5.576
6 HG1 THR 1 HG1 THR 1 -11.240 2.824 -5.937
7 HG21 THR 1 HG21 THR 1 -9.052 0.356 -7.447
8 HG22 THR 1 HG22 THR 1 -10.087 1.725 -7.852
9 HG23 THR 1 HG23 THR 1 -10.809 0.174 -7.433
10 H GLN 2 H GLN 2 -7.595 0.013 -3.894
11 HA GLN 2 HA GLN 2 -8.267 0.680 -1.199
12 HB2 GLN 2 HB2 GLN 2 -6.362 -0.817 -1.669
13 HB3 GLN 2 HB3 GLN 2 -5.593 0.441 -2.618
14 HG2 GLN 2 HG2 GLN 2 -4.609 0.266 -0.357
15 HG3 GLN 2 HG3 GLN 2 -5.345 1.822 -0.697
16 HE21 GLN 2 HE21 GLN 2 -5.741 2.355 1.150
17 HE22 GLN 2 HE22 GLN 2 -6.821 1.657 2.337
18 H SER 3 H SER 3 -7.893 2.678 -0.184
19 HA SER 3 HA SER 3 -8.255 4.860 -1.974
20 HB2 SER 3 HB2 SER 3 -8.749 6.117 0.002
21 HB3 SER 3 HB3 SER 3 -9.571 4.555 0.104
22 H HIS 4 H HIS 4 -7.132 6.808 -1.669
23 HA HIS 4 HA HIS 4 -4.322 6.669 -1.922
24 HB2 HIS 4 HB2 HIS 4 -5.957 8.410 -2.880
25 HB3 HIS 4 HB3 HIS 4 -5.969 9.114 -1.273
26 HD1 HIS 4 HD1 HIS 4 -5.027 11.317 -2.487
27 HD2 HIS 4 HD2 HIS 4 -2.500 8.031 -2.509
28 HE1 HIS 4 HE1 HIS 4 -2.792 12.184 -3.217
29 HE2 HIS 4 HE2 HIS 4 -1.523 10.047 -3.674
30 H TYR 5 H TYR 5 -2.763 6.893 -0.312
31 HA TYR 5 HA TYR 5 -1.766 7.118 1.642
32 HB2 TYR 5 HB2 TYR 5 -4.183 8.733 2.362
33 HB3 TYR 5 HB3 TYR 5 -2.916 8.422 3.549
34 HD1 TYR 5 HD1 TYR 5 -0.601 9.256 3.075
35 HD2 TYR 5 HD2 TYR 5 -3.942 10.422 0.723
36 HE1 TYR 5 HE1 TYR 5 0.678 11.160 2.218
37 HE2 TYR 5 HE2 TYR 5 -2.667 12.330 -0.143
38 HH TYR 5 HH TYR 5 -0.740 13.716 0.547
39 H GLY 6 H GLY 6 -3.922 5.075 1.028
40 HA2 GLY 6 HA2 GLY 6 -4.190 3.968 3.723
41 HA3 GLY 6 HA3 GLY 6 -5.031 3.445 2.302
42 H GLN 7 H GLN 7 -3.818 1.489 3.749
43 HA GLN 7 HA GLN 7 -1.142 1.035 2.767
44 HB2 GLN 7 HB2 GLN 7 -1.947 0.398 5.090
45 HB3 GLN 7 HB3 GLN 7 -2.918 -0.863 4.338
46 HG2 GLN 7 HG2 GLN 7 -0.870 -1.911 3.491
47 HG3 GLN 7 HG3 GLN 7 0.107 -0.658 4.235
48 HE21 GLN 7 HE21 GLN 7 0.392 -3.404 4.784
49 HE22 GLN 7 HE22 GLN 7 -0.056 -3.676 6.416
50 H CYS 8 H CYS 8 -0.690 -0.110 0.978
51 HA CYS 8 HA CYS 8 -3.005 -1.258 -0.457
52 HB2 CYS 8 HB2 CYS 8 -1.674 -0.889 -2.475
53 HB3 CYS 8 HB3 CYS 8 -2.071 0.579 -1.589
54 H GLY 9 H GLY 9 -0.626 -2.513 1.321
55 HA2 GLY 9 HA2 GLY 9 -0.808 -5.056 0.937
56 HA3 GLY 9 HA3 GLY 9 -0.256 -4.649 -0.674
57 H GLY 10 H GLY 10 0.592 -4.534 2.682
58 HA2 GLY 10 HA2 GLY 10 3.398 -4.803 1.916
59 HA3 GLY 10 HA3 GLY 10 2.797 -4.462 3.547
60 H ILE 11 H ILE 11 4.441 -6.495 3.557
61 HA ILE 11 HA ILE 11 3.338 -9.004 2.972
62 HB ILE 11 HB ILE 11 5.311 -8.314 5.171
63 HG12 ILE 11 HG12 ILE 11 5.790 -9.230 2.325
64 HG13 ILE 11 HG13 ILE 11 6.030 -7.591 2.917
65 HG21 ILE 11 HG21 ILE 11 4.703 -10.960 3.827
66 HG22 ILE 11 HG22 ILE 11 4.307 -10.528 5.489
67 HG23 ILE 11 HG23 ILE 11 5.993 -10.682 4.996
68 HD11 ILE 11 HD11 ILE 11 8.130 -8.781 2.738
69 HD12 ILE 11 HD12 ILE 11 7.511 -10.038 3.819
70 HD13 ILE 11 HD13 ILE 11 7.764 -8.402 4.425
71 H GLY 12 H GLY 12 1.452 -9.690 3.673
72 HA2 GLY 12 HA2 GLY 12 0.328 -10.822 5.423
73 HA3 GLY 12 HA3 GLY 12 0.965 -9.653 6.560
74 H TYR 13 H TYR 13 -0.003 -7.992 3.865
75 HA TYR 13 HA TYR 13 -2.434 -7.175 5.263
76 HB2 TYR 13 HB2 TYR 13 -0.875 -5.416 4.490
77 HB3 TYR 13 HB3 TYR 13 -1.092 -5.962 2.835
78 HD1 TYR 13 HD1 TYR 13 -2.697 -4.871 1.505
79 HD2 TYR 13 HD2 TYR 13 -3.063 -4.709 5.729
80 HE1 TYR 13 HE1 TYR 13 -4.554 -3.290 1.273
81 HE2 TYR 13 HE2 TYR 13 -4.941 -3.122 5.508
82 HH TYR 13 HH TYR 13 -6.267 -2.280 2.351
83 H SER 14 H SER 14 -4.152 -8.353 4.836
84 HA SER 14 HA SER 14 -4.495 -9.553 2.213
85 HB2 SER 14 HB2 SER 14 -6.103 -9.916 4.744
86 HB3 SER 14 HB3 SER 14 -6.163 -10.930 3.303
87 HG SER 14 HG SER 14 -4.883 -11.843 4.907
88 H GLY 15 H GLY 15 -5.088 -6.635 3.168
89 HA2 GLY 15 HA2 GLY 15 -7.940 -6.416 2.564
90 HA3 GLY 15 HA3 GLY 15 -6.869 -5.103 3.042
91 HA PRO 16 HA PRO 16 -7.772 -4.703 -1.526
92 HB2 PRO 16 HB2 PRO 16 -7.726 -1.853 -0.657
93 HB3 PRO 16 HB3 PRO 16 -8.852 -2.669 -1.754
94 HG2 PRO 16 HG2 PRO 16 -9.616 -2.032 0.697
95 HG3 PRO 16 HG3 PRO 16 -10.068 -3.602 0.005
96 HD2 PRO 16 HD2 PRO 16 -7.895 -2.965 1.972
97 HD3 PRO 16 HD3 PRO 16 -9.051 -4.312 1.972
98 H THR 17 H THR 17 -5.959 -5.031 -2.580
99 HA THR 17 HA THR 17 -3.504 -3.592 -1.897
100 HB THR 17 HB THR 17 -2.614 -5.470 -3.441
101 HG1 THR 17 HG1 THR 17 -4.110 -6.781 -4.163
102 HG21 THR 17 HG21 THR 17 -2.532 -7.034 -1.535
103 HG22 THR 17 HG22 THR 17 -3.833 -6.138 -0.751
104 HG23 THR 17 HG23 THR 17 -2.266 -5.372 -0.995
105 H VAL 18 H VAL 18 -5.985 -3.463 -4.079
106 HA VAL 18 HA VAL 18 -4.257 -2.488 -6.244
107 HB VAL 18 HB VAL 18 -7.244 -3.075 -6.308
108 HG11 VAL 18 HG11 VAL 18 -5.346 -2.414 -8.564
109 HG12 VAL 18 HG12 VAL 18 -6.608 -1.360 -7.923
110 HG13 VAL 18 HG13 VAL 18 -7.044 -2.857 -8.746
111 HG21 VAL 18 HG21 VAL 18 -5.910 -5.120 -6.050
112 HG22 VAL 18 HG22 VAL 18 -4.959 -4.678 -7.465
113 HG23 VAL 18 HG23 VAL 18 -6.674 -5.046 -7.635
114 H CYS 19 H CYS 19 -3.818 -0.394 -5.983
115 HA CYS 19 HA CYS 19 -5.425 1.366 -4.473
116 HB2 CYS 19 HB2 CYS 19 -3.179 1.909 -6.397
117 HB3 CYS 19 HB3 CYS 19 -3.853 3.052 -5.248
118 H ALA 20 H ALA 20 -6.511 3.218 -5.201
119 HA ALA 20 HA ALA 20 -8.134 3.029 -7.457
120 HB1 ALA 20 HB1 ALA 20 -7.209 5.493 -5.966
121 HB2 ALA 20 HB2 ALA 20 -8.623 4.514 -5.567
122 HB3 ALA 20 HB3 ALA 20 -8.574 5.424 -7.078
123 H SER 21 H SER 21 -7.880 3.728 -9.559
124 HA SER 21 HA SER 21 -5.312 3.835 -10.602
125 HB2 SER 21 HB2 SER 21 -7.895 4.825 -11.824
126 HB3 SER 21 HB3 SER 21 -6.419 4.412 -12.706
127 HG SER 21 HG SER 21 -7.305 2.514 -12.795
128 H GLY 22 H GLY 22 -3.900 5.407 -10.874
129 HA2 GLY 22 HA2 GLY 22 -3.367 7.714 -11.302
130 HA3 GLY 22 HA3 GLY 22 -4.732 8.157 -10.284
131 H THR 23 H THR 23 -3.911 5.846 -8.402
132 HA THR 23 HA THR 23 -1.727 7.316 -7.130
133 HB THR 23 HB THR 23 -2.417 6.266 -5.011
134 HG1 THR 23 HG1 THR 23 -4.351 4.998 -6.661
135 HG21 THR 23 HG21 THR 23 -4.616 7.355 -4.708
136 HG22 THR 23 HG22 THR 23 -4.709 7.599 -6.454
137 HG23 THR 23 HG23 THR 23 -3.441 8.387 -5.511
138 H THR 24 H THR 24 0.056 6.143 -6.344
139 HA THR 24 HA THR 24 0.341 3.540 -7.651
140 HB THR 24 HB THR 24 2.839 3.984 -7.406
141 HG1 THR 24 HG1 THR 24 1.796 6.384 -6.391
142 HG21 THR 24 HG21 THR 24 1.227 5.875 -9.129
143 HG22 THR 24 HG22 THR 24 1.676 4.224 -9.548
144 HG23 THR 24 HG23 THR 24 2.923 5.461 -9.373
145 H CYS 25 H CYS 25 0.692 1.765 -6.421
146 HA CYS 25 HA CYS 25 0.664 1.999 -3.582
147 HB2 CYS 25 HB2 CYS 25 -0.426 0.085 -4.592
148 HB3 CYS 25 HB3 CYS 25 1.056 -0.441 -5.376
149 H GLN 26 H GLN 26 2.409 2.841 -2.682
150 HA GLN 26 HA GLN 26 5.009 2.045 -3.707
151 HB2 GLN 26 HB2 GLN 26 4.175 4.396 -2.038
152 HB3 GLN 26 HB3 GLN 26 5.843 4.038 -2.465
153 HG2 GLN 26 HG2 GLN 26 5.236 4.223 -4.844
154 HG3 GLN 26 HG3 GLN 26 3.591 4.623 -4.373
155 HE21 GLN 26 HE21 GLN 26 3.640 6.560 -5.337
156 HE22 GLN 26 HE22 GLN 26 4.551 7.914 -4.766
157 H VAL 27 H VAL 27 5.928 0.529 -2.704
158 HA VAL 27 HA VAL 27 5.369 -0.230 -0.025
159 HB VAL 27 HB VAL 27 7.623 -1.047 -1.905
160 HG11 VAL 27 HG11 VAL 27 8.285 -1.399 0.426
161 HG12 VAL 27 HG12 VAL 27 8.000 -2.938 -0.391
162 HG13 VAL 27 HG13 VAL 27 6.791 -2.286 0.718
163 HG21 VAL 27 HG21 VAL 27 5.389 -1.682 -2.657
164 HG22 VAL 27 HG22 VAL 27 5.086 -2.463 -1.107
165 HG23 VAL 27 HG23 VAL 27 6.333 -3.097 -2.183
166 H LEU 28 H LEU 28 5.888 1.043 1.551
167 HA LEU 28 HA LEU 28 8.221 2.791 1.408
168 HB2 LEU 28 HB2 LEU 28 5.935 2.674 3.373
169 HB3 LEU 28 HB3 LEU 28 7.219 3.868 3.400
170 HG LEU 28 HG LEU 28 5.203 3.531 1.170
171 HD11 LEU 28 HD11 LEU 28 4.182 4.428 3.177
172 HD12 LEU 28 HD12 LEU 28 4.323 5.662 1.920
173 HD13 LEU 28 HD13 LEU 28 5.447 5.657 3.283
174 HD21 LEU 28 HD21 LEU 28 6.135 5.646 0.362
175 HD22 LEU 28 HD22 LEU 28 7.313 4.323 0.364
176 HD23 LEU 28 HD23 LEU 28 7.355 5.549 1.643
177 H ASN 29 H ASN 29 6.909 0.114 3.186
178 HA ASN 29 HA ASN 29 9.530 -0.484 4.319
179 HB2 ASN 29 HB2 ASN 29 6.914 -0.789 5.891
180 HB3 ASN 29 HB3 ASN 29 8.488 -1.294 6.423
181 HD21 ASN 29 HD21 ASN 29 7.526 1.842 5.113
182 HD22 ASN 29 HD22 ASN 29 7.870 2.739 6.547
183 HA PRO 30 HA PRO 30 8.338 -4.457 2.630
184 HB2 PRO 30 HB2 PRO 30 8.682 -5.763 5.283
185 HB3 PRO 30 HB3 PRO 30 9.415 -6.177 3.730
186 HG2 PRO 30 HG2 PRO 30 10.860 -4.973 5.599
187 HG3 PRO 30 HG3 PRO 30 11.028 -4.507 3.895
188 HD2 PRO 30 HD2 PRO 30 9.547 -3.136 6.102
189 HD3 PRO 30 HD3 PRO 30 10.561 -2.420 4.827
190 H TYR 31 H TYR 31 6.858 -3.648 5.753
191 HA TYR 31 HA TYR 31 4.546 -5.280 4.956
192 HB2 TYR 31 HB2 TYR 31 5.015 -4.053 7.698
193 HB3 TYR 31 HB3 TYR 31 3.849 -5.276 7.254
194 HD1 TYR 31 HD1 TYR 31 4.437 -7.600 7.255
195 HD2 TYR 31 HD2 TYR 31 7.479 -4.667 7.728
196 HE1 TYR 31 HE1 TYR 31 6.037 -9.360 7.869
197 HE2 TYR 31 HE2 TYR 31 9.079 -6.404 8.346
198 HH TYR 31 HH TYR 31 9.183 -8.551 9.133
199 H TYR 32 H TYR 32 5.615 -2.035 5.524
200 HA TYR 32 HA TYR 32 2.890 -1.025 5.329
201 HB2 TYR 32 HB2 TYR 32 4.368 -0.050 7.059
202 HB3 TYR 32 HB3 TYR 32 5.438 0.521 5.791
203 HD1 TYR 32 HD1 TYR 32 5.314 2.822 5.491
204 HD2 TYR 32 HD2 TYR 32 1.744 0.638 6.335
205 HE1 TYR 32 HE1 TYR 32 4.035 4.873 5.389
206 HE2 TYR 32 HE2 TYR 32 0.449 2.706 6.215
207 HH TYR 32 HH TYR 32 1.813 5.645 5.046
208 H SER 33 H SER 33 2.091 -0.702 3.396
209 HA SER 33 HA SER 33 3.774 0.548 1.345
210 HB2 SER 33 HB2 SER 33 1.646 -1.568 0.854
211 HB3 SER 33 HB3 SER 33 2.697 -0.834 -0.353
212 HG SER 33 HG SER 33 3.316 -2.983 0.475
213 H GLN 34 H GLN 34 2.685 2.250 0.319
214 HA GLN 34 HA GLN 34 -0.085 2.684 1.171
215 HB2 GLN 34 HB2 GLN 34 1.137 3.964 2.743
216 HB3 GLN 34 HB3 GLN 34 2.238 4.564 1.519
217 HG2 GLN 34 HG2 GLN 34 0.521 5.976 0.597
218 HG3 GLN 34 HG3 GLN 34 -0.679 5.267 1.671
219 HE21 GLN 34 HE21 GLN 34 -0.847 6.000 3.735
220 HE22 GLN 34 HE22 GLN 34 0.059 7.314 4.351
221 H CYS 35 H CYS 35 -1.415 3.510 -0.322
222 HA CYS 35 HA CYS 35 -0.502 3.818 -3.037
223 HB2 CYS 35 HB2 CYS 35 -3.190 4.618 -1.902
224 HB3 CYS 35 HB3 CYS 35 -2.769 4.374 -3.595
225 H LEU 36 H LEU 36 0.562 5.555 -3.635
226 HA LEU 36 HA LEU 36 -0.301 8.156 -2.633
227 HB2 LEU 36 HB2 LEU 36 2.474 7.205 -3.317
228 HB3 LEU 36 HB3 LEU 36 2.066 8.885 -3.034
229 HG LEU 36 HG LEU 36 1.730 6.683 -0.999
230 HD11 LEU 36 HD11 LEU 36 3.846 8.824 -1.192
231 HD12 LEU 36 HD12 LEU 36 4.090 7.094 -1.445
232 HD13 LEU 36 HD13 LEU 36 3.622 7.696 0.147
233 HD21 LEU 36 HD21 LEU 36 1.404 8.559 0.560
234 HD22 LEU 36 HD22 LEU 36 0.153 8.473 -0.673
235 HD23 LEU 36 HD23 LEU 36 1.438 9.676 -0.807
236 H1 MAN 101 H1 MAN 101 -8.970 6.342 2.193
237 H2 MAN 101 H2 MAN 101 -6.767 6.061 3.271
238 H3 MAN 101 H3 MAN 101 -6.702 3.610 3.328
239 H4 MAN 101 H4 MAN 101 -8.906 3.915 5.389
240 H5 MAN 101 H5 MAN 101 -8.939 2.679 2.551
241 H61 MAN 101 H61 MAN 101 -11.074 3.041 4.681
242 H62 MAN 101 H62 MAN 101 -10.516 1.492 3.995
243 HO2 MAN 101 HO2 MAN 101 -8.494 7.081 4.284
244 HO3 MAN 101 HO3 MAN 101 -6.859 4.875 5.867
245 HO4 MAN 101 HO4 MAN 101 -7.313 2.272 5.686
246 HO6 MAN 101 HO6 MAN 101 -11.521 3.559 2.320
Start of MODEL 5
1 H1 THR 1 H1 THR 1 -11.700 -0.585 -4.211
2 H2 THR 1 H2 THR 1 -11.696 -0.451 -5.881
3 H3 THR 1 H3 THR 1 -11.802 0.953 -4.916
4 HA THR 1 HA THR 1 -9.521 -0.872 -5.136
5 HB THR 1 HB THR 1 -8.435 1.326 -5.869
6 HG1 THR 1 HG1 THR 1 -10.308 2.515 -7.075
7 HG21 THR 1 HG21 THR 1 -9.089 1.010 -8.185
8 HG22 THR 1 HG22 THR 1 -10.493 0.065 -7.687
9 HG23 THR 1 HG23 THR 1 -8.858 -0.550 -7.396
10 H GLN 2 H GLN 2 -7.633 -0.073 -3.980
11 HA GLN 2 HA GLN 2 -8.275 0.625 -1.320
12 HB2 GLN 2 HB2 GLN 2 -6.391 -0.878 -1.817
13 HB3 GLN 2 HB3 GLN 2 -5.581 0.400 -2.708
14 HG2 GLN 2 HG2 GLN 2 -4.656 0.124 -0.457
15 HG3 GLN 2 HG3 GLN 2 -5.361 1.715 -0.725
16 HE21 GLN 2 HE21 GLN 2 -5.924 2.230 1.144
17 HE22 GLN 2 HE22 GLN 2 -7.039 1.424 2.216
18 H SER 3 H SER 3 -7.961 2.549 -0.238
19 HA SER 3 HA SER 3 -8.332 4.829 -1.866
20 HB2 SER 3 HB2 SER 3 -8.719 5.964 0.228
21 HB3 SER 3 HB3 SER 3 -9.601 4.437 0.194
22 H HIS 4 H HIS 4 -7.217 6.755 -1.575
23 HA HIS 4 HA HIS 4 -4.407 6.620 -1.908
24 HB2 HIS 4 HB2 HIS 4 -6.030 8.388 -2.816
25 HB3 HIS 4 HB3 HIS 4 -6.021 9.093 -1.217
26 HD1 HIS 4 HD1 HIS 4 -5.052 11.245 -2.603
27 HD2 HIS 4 HD2 HIS 4 -2.544 7.970 -2.300
28 HE1 HIS 4 HE1 HIS 4 -2.790 12.049 -3.318
29 HE2 HIS 4 HE2 HIS 4 -1.509 9.897 -3.558
30 H TYR 5 H TYR 5 -2.793 6.882 -0.404
31 HA TYR 5 HA TYR 5 -1.715 7.074 1.497
32 HB2 TYR 5 HB2 TYR 5 -4.161 8.548 2.413
33 HB3 TYR 5 HB3 TYR 5 -2.762 8.334 3.479
34 HD1 TYR 5 HD1 TYR 5 -4.226 10.224 0.781
35 HD2 TYR 5 HD2 TYR 5 -0.567 9.348 2.748
36 HE1 TYR 5 HE1 TYR 5 -3.198 12.193 -0.266
37 HE2 TYR 5 HE2 TYR 5 0.473 11.311 1.712
38 HH TYR 5 HH TYR 5 -1.319 13.713 0.063
39 H GLY 6 H GLY 6 -3.960 5.037 0.908
40 HA2 GLY 6 HA2 GLY 6 -4.148 3.859 3.566
41 HA3 GLY 6 HA3 GLY 6 -5.015 3.361 2.139
42 H GLN 7 H GLN 7 -3.641 1.572 3.774
43 HA GLN 7 HA GLN 7 -1.065 0.971 2.701
44 HB2 GLN 7 HB2 GLN 7 -1.901 0.440 5.037
45 HB3 GLN 7 HB3 GLN 7 -2.885 -0.829 4.310
46 HG2 GLN 7 HG2 GLN 7 -0.895 -1.980 3.576
47 HG3 GLN 7 HG3 GLN 7 0.133 -0.692 4.196
48 HE21 GLN 7 HE21 GLN 7 0.298 -3.411 4.976
49 HE22 GLN 7 HE22 GLN 7 -0.124 -3.545 6.620
50 H CYS 8 H CYS 8 -0.678 -0.120 0.868
51 HA CYS 8 HA CYS 8 -2.980 -1.358 -0.480
52 HB2 CYS 8 HB2 CYS 8 -1.657 -1.052 -2.527
53 HB3 CYS 8 HB3 CYS 8 -2.085 0.442 -1.708
54 H GLY 9 H GLY 9 -0.793 -2.619 1.387
55 HA2 GLY 9 HA2 GLY 9 -0.922 -5.146 1.103
56 HA3 GLY 9 HA3 GLY 9 -0.405 -4.829 -0.538
57 H GLY 10 H GLY 10 0.572 -4.400 2.777
58 HA2 GLY 10 HA2 GLY 10 3.327 -4.944 1.949
59 HA3 GLY 10 HA3 GLY 10 2.830 -4.345 3.543
60 H ILE 11 H ILE 11 4.356 -6.449 3.811
61 HA ILE 11 HA ILE 11 3.140 -8.975 3.651
62 HB ILE 11 HB ILE 11 5.077 -7.994 5.786
63 HG12 ILE 11 HG12 ILE 11 5.670 -9.357 3.145
64 HG13 ILE 11 HG13 ILE 11 5.936 -7.652 3.486
65 HG21 ILE 11 HG21 ILE 11 4.459 -10.793 4.833
66 HG22 ILE 11 HG22 ILE 11 3.989 -10.102 6.383
67 HG23 ILE 11 HG23 ILE 11 5.696 -10.365 6.015
68 HD11 ILE 11 HD11 ILE 11 7.581 -8.257 5.194
69 HD12 ILE 11 HD12 ILE 11 8.012 -8.899 3.608
70 HD13 ILE 11 HD13 ILE 11 7.318 -9.965 4.832
71 H GLY 12 H GLY 12 1.291 -9.628 4.618
72 HA2 GLY 12 HA2 GLY 12 0.168 -10.144 6.681
73 HA3 GLY 12 HA3 GLY 12 0.725 -8.600 7.308
74 H TYR 13 H TYR 13 0.021 -7.394 4.607
75 HA TYR 13 HA TYR 13 -2.725 -6.853 5.394
76 HB2 TYR 13 HB2 TYR 13 -1.168 -4.953 4.884
77 HB3 TYR 13 HB3 TYR 13 -1.098 -5.514 3.218
78 HD1 TYR 13 HD1 TYR 13 -2.808 -4.888 1.665
79 HD2 TYR 13 HD2 TYR 13 -3.365 -4.193 5.819
80 HE1 TYR 13 HE1 TYR 13 -4.786 -3.547 1.159
81 HE2 TYR 13 HE2 TYR 13 -5.363 -2.836 5.325
82 HH TYR 13 HH TYR 13 -6.548 -2.487 2.007
83 H SER 14 H SER 14 -4.176 -8.135 4.611
84 HA SER 14 HA SER 14 -3.740 -9.352 1.987
85 HB2 SER 14 HB2 SER 14 -5.555 -10.248 4.230
86 HB3 SER 14 HB3 SER 14 -5.130 -11.154 2.776
87 HG SER 14 HG SER 14 -2.834 -10.538 3.809
88 H GLY 15 H GLY 15 -5.152 -6.762 3.152
89 HA2 GLY 15 HA2 GLY 15 -7.826 -6.945 2.079
90 HA3 GLY 15 HA3 GLY 15 -7.034 -5.502 2.686
91 HA PRO 16 HA PRO 16 -7.541 -5.029 -1.925
92 HB2 PRO 16 HB2 PRO 16 -7.717 -2.217 -0.942
93 HB3 PRO 16 HB3 PRO 16 -8.672 -3.033 -2.190
94 HG2 PRO 16 HG2 PRO 16 -9.722 -2.597 0.191
95 HG3 PRO 16 HG3 PRO 16 -9.979 -4.154 -0.623
96 HD2 PRO 16 HD2 PRO 16 -8.084 -3.484 1.604
97 HD3 PRO 16 HD3 PRO 16 -9.111 -4.915 1.384
98 H THR 17 H THR 17 -5.703 -5.146 -2.919
99 HA THR 17 HA THR 17 -3.381 -3.605 -2.048
100 HB THR 17 HB THR 17 -2.182 -5.222 -3.598
101 HG1 THR 17 HG1 THR 17 -4.506 -6.783 -3.354
102 HG21 THR 17 HG21 THR 17 -2.252 -5.507 -1.151
103 HG22 THR 17 HG22 THR 17 -2.254 -7.064 -1.980
104 HG23 THR 17 HG23 THR 17 -3.752 -6.416 -1.302
105 H VAL 18 H VAL 18 -5.792 -3.592 -4.325
106 HA VAL 18 HA VAL 18 -4.183 -2.351 -6.429
107 HB VAL 18 HB VAL 18 -7.141 -3.066 -6.450
108 HG11 VAL 18 HG11 VAL 18 -7.048 -2.643 -8.861
109 HG12 VAL 18 HG12 VAL 18 -5.363 -2.143 -8.714
110 HG13 VAL 18 HG13 VAL 18 -6.633 -1.189 -7.948
111 HG21 VAL 18 HG21 VAL 18 -5.693 -5.047 -6.413
112 HG22 VAL 18 HG22 VAL 18 -4.821 -4.421 -7.813
113 HG23 VAL 18 HG23 VAL 18 -6.517 -4.877 -7.962
114 H CYS 19 H CYS 19 -3.822 -0.292 -6.155
115 HA CYS 19 HA CYS 19 -5.401 1.379 -4.488
116 HB2 CYS 19 HB2 CYS 19 -3.178 1.997 -6.423
117 HB3 CYS 19 HB3 CYS 19 -3.847 3.107 -5.235
118 H ALA 20 H ALA 20 -6.408 3.331 -5.210
119 HA ALA 20 HA ALA 20 -8.079 3.008 -7.431
120 HB1 ALA 20 HB1 ALA 20 -8.730 5.332 -7.016
121 HB2 ALA 20 HB2 ALA 20 -7.374 5.515 -5.893
122 HB3 ALA 20 HB3 ALA 20 -8.683 4.387 -5.531
123 H SER 21 H SER 21 -7.916 3.736 -9.486
124 HA SER 21 HA SER 21 -5.477 4.054 -10.728
125 HB2 SER 21 HB2 SER 21 -8.142 5.176 -11.625
126 HB3 SER 21 HB3 SER 21 -6.750 4.872 -12.664
127 HG SER 21 HG SER 21 -8.663 3.194 -12.009
128 H GLY 22 H GLY 22 -3.988 5.633 -10.612
129 HA2 GLY 22 HA2 GLY 22 -3.440 7.971 -10.927
130 HA3 GLY 22 HA3 GLY 22 -4.928 8.372 -10.079
131 H THR 23 H THR 23 -3.856 5.843 -8.364
132 HA THR 23 HA THR 23 -1.889 7.382 -6.846
133 HB THR 23 HB THR 23 -2.621 6.244 -4.804
134 HG1 THR 23 HG1 THR 23 -4.505 5.049 -6.551
135 HG21 THR 23 HG21 THR 23 -4.870 7.661 -6.216
136 HG22 THR 23 HG22 THR 23 -3.598 8.392 -5.222
137 HG23 THR 23 HG23 THR 23 -4.805 7.349 -4.483
138 H THR 24 H THR 24 -0.130 6.201 -6.133
139 HA THR 24 HA THR 24 0.098 3.649 -7.544
140 HB THR 24 HB THR 24 2.573 4.102 -7.547
141 HG1 THR 24 HG1 THR 24 1.669 6.468 -6.279
142 HG21 THR 24 HG21 THR 24 2.453 5.698 -9.399
143 HG22 THR 24 HG22 THR 24 0.830 6.158 -8.895
144 HG23 THR 24 HG23 THR 24 1.133 4.530 -9.498
145 H CYS 25 H CYS 25 0.589 1.865 -6.455
146 HA CYS 25 HA CYS 25 0.653 1.971 -3.608
147 HB2 CYS 25 HB2 CYS 25 -0.429 0.103 -4.741
148 HB3 CYS 25 HB3 CYS 25 1.088 -0.357 -5.509
149 H GLN 26 H GLN 26 2.395 2.811 -2.742
150 HA GLN 26 HA GLN 26 4.964 2.058 -3.866
151 HB2 GLN 26 HB2 GLN 26 4.174 4.327 -2.060
152 HB3 GLN 26 HB3 GLN 26 5.818 4.019 -2.591
153 HG2 GLN 26 HG2 GLN 26 5.008 4.263 -4.949
154 HG3 GLN 26 HG3 GLN 26 3.444 4.741 -4.303
155 HE21 GLN 26 HE21 GLN 26 3.559 6.725 -5.256
156 HE22 GLN 26 HE22 GLN 26 4.568 7.990 -4.658
157 H VAL 27 H VAL 27 5.859 0.436 -2.920
158 HA VAL 27 HA VAL 27 5.192 -0.324 -0.253
159 HB VAL 27 HB VAL 27 7.426 -1.363 -2.043
160 HG11 VAL 27 HG11 VAL 27 7.743 -1.893 0.316
161 HG12 VAL 27 HG12 VAL 27 7.360 -3.347 -0.609
162 HG13 VAL 27 HG13 VAL 27 6.126 -2.580 0.389
163 HG21 VAL 27 HG21 VAL 27 5.245 -1.653 -3.112
164 HG22 VAL 27 HG22 VAL 27 4.624 -2.430 -1.656
165 HG23 VAL 27 HG23 VAL 27 5.899 -3.208 -2.594
166 H LEU 28 H LEU 28 5.868 0.910 1.282
167 HA LEU 28 HA LEU 28 8.274 2.513 1.012
168 HB2 LEU 28 HB2 LEU 28 6.180 2.418 3.185
169 HB3 LEU 28 HB3 LEU 28 7.472 3.597 3.071
170 HG LEU 28 HG LEU 28 5.260 3.294 1.025
171 HD11 LEU 28 HD11 LEU 28 4.396 5.380 1.923
172 HD12 LEU 28 HD12 LEU 28 5.622 5.352 3.193
173 HD13 LEU 28 HD13 LEU 28 4.374 4.102 3.136
174 HD21 LEU 28 HD21 LEU 28 7.357 5.388 1.417
175 HD22 LEU 28 HD22 LEU 28 6.058 5.437 0.223
176 HD23 LEU 28 HD23 LEU 28 7.319 4.196 0.112
177 H ASN 29 H ASN 29 6.906 0.044 3.103
178 HA ASN 29 HA ASN 29 9.591 -0.632 4.100
179 HB2 ASN 29 HB2 ASN 29 7.019 -0.836 5.761
180 HB3 ASN 29 HB3 ASN 29 8.622 -1.275 6.257
181 HD21 ASN 29 HD21 ASN 29 7.670 1.746 4.698
182 HD22 ASN 29 HD22 ASN 29 8.017 2.777 6.029
183 HA PRO 30 HA PRO 30 8.302 -4.734 2.787
184 HB2 PRO 30 HB2 PRO 30 8.661 -5.754 5.558
185 HB3 PRO 30 HB3 PRO 30 9.341 -6.364 4.047
186 HG2 PRO 30 HG2 PRO 30 10.879 -5.018 5.731
187 HG3 PRO 30 HG3 PRO 30 11.012 -4.736 3.987
188 HD2 PRO 30 HD2 PRO 30 9.661 -3.081 6.077
189 HD3 PRO 30 HD3 PRO 30 10.632 -2.554 4.688
190 H TYR 31 H TYR 31 6.934 -3.687 5.906
191 HA TYR 31 HA TYR 31 4.529 -5.279 5.310
192 HB2 TYR 31 HB2 TYR 31 5.330 -3.771 7.813
193 HB3 TYR 31 HB3 TYR 31 3.862 -4.718 7.639
194 HD1 TYR 31 HD1 TYR 31 3.872 -6.981 8.200
195 HD2 TYR 31 HD2 TYR 31 7.575 -5.023 7.515
196 HE1 TYR 31 HE1 TYR 31 5.065 -8.986 8.941
197 HE2 TYR 31 HE2 TYR 31 8.782 -6.993 8.241
198 HH TYR 31 HH TYR 31 8.336 -9.002 9.682
199 H TYR 32 H TYR 32 5.700 -2.062 5.473
200 HA TYR 32 HA TYR 32 3.005 -1.001 5.314
201 HB2 TYR 32 HB2 TYR 32 4.567 -0.035 6.983
202 HB3 TYR 32 HB3 TYR 32 5.553 0.558 5.655
203 HD1 TYR 32 HD1 TYR 32 5.334 2.815 5.321
204 HD2 TYR 32 HD2 TYR 32 1.908 0.561 6.454
205 HE1 TYR 32 HE1 TYR 32 4.013 4.838 5.256
206 HE2 TYR 32 HE2 TYR 32 0.539 2.577 6.391
207 HH TYR 32 HH TYR 32 1.629 5.501 5.033
208 H SER 33 H SER 33 2.148 -0.708 3.410
209 HA SER 33 HA SER 33 3.798 0.419 1.264
210 HB2 SER 33 HB2 SER 33 1.632 -1.691 0.909
211 HB3 SER 33 HB3 SER 33 2.664 -1.023 -0.355
212 HG SER 33 HG SER 33 3.306 -3.134 0.515
213 H GLN 34 H GLN 34 2.689 2.124 0.224
214 HA GLN 34 HA GLN 34 -0.060 2.550 1.112
215 HB2 GLN 34 HB2 GLN 34 1.144 3.768 2.740
216 HB3 GLN 34 HB3 GLN 34 2.264 4.406 1.553
217 HG2 GLN 34 HG2 GLN 34 0.565 5.870 0.676
218 HG3 GLN 34 HG3 GLN 34 -0.646 5.127 1.716
219 HE21 GLN 34 HE21 GLN 34 -0.844 5.803 3.783
220 HE22 GLN 34 HE22 GLN 34 0.112 7.038 4.490
221 H CYS 35 H CYS 35 -1.376 3.412 -0.339
222 HA CYS 35 HA CYS 35 -0.487 3.806 -3.042
223 HB2 CYS 35 HB2 CYS 35 -3.159 4.545 -1.833
224 HB3 CYS 35 HB3 CYS 35 -2.781 4.367 -3.541
225 H LEU 36 H LEU 36 0.645 5.562 -3.497
226 HA LEU 36 HA LEU 36 -0.229 8.122 -2.400
227 HB2 LEU 36 HB2 LEU 36 2.537 7.193 -3.168
228 HB3 LEU 36 HB3 LEU 36 2.133 8.858 -2.793
229 HG LEU 36 HG LEU 36 1.819 6.557 -0.863
230 HD11 LEU 36 HD11 LEU 36 3.728 7.497 0.293
231 HD12 LEU 36 HD12 LEU 36 3.942 8.696 -0.988
232 HD13 LEU 36 HD13 LEU 36 4.177 6.978 -1.332
233 HD21 LEU 36 HD21 LEU 36 0.267 8.365 -0.442
234 HD22 LEU 36 HD22 LEU 36 1.581 9.537 -0.515
235 HD23 LEU 36 HD23 LEU 36 1.532 8.349 0.785
236 H1 MAN 101 H1 MAN 101 -8.966 5.961 2.460
237 H2 MAN 101 H2 MAN 101 -6.832 5.314 3.656
238 H3 MAN 101 H3 MAN 101 -6.996 2.887 3.439
239 H4 MAN 101 H4 MAN 101 -9.432 3.171 5.240
240 H5 MAN 101 H5 MAN 101 -9.088 2.214 2.376
241 H61 MAN 101 H61 MAN 101 -10.927 1.147 3.765
242 H62 MAN 101 H62 MAN 101 -11.449 1.906 2.244
243 HO2 MAN 101 HO2 MAN 101 -9.310 5.123 5.069
244 HO3 MAN 101 HO3 MAN 101 -7.343 3.849 6.093
245 HO4 MAN 101 HO4 MAN 101 -8.058 1.395 5.604
246 HO6 MAN 101 HO6 MAN 101 -11.779 3.841 3.618
Start of MODEL 6
1 H1 THR 1 H1 THR 1 -11.779 0.566 -4.679
2 H2 THR 1 H2 THR 1 -11.605 -0.988 -4.058
3 H3 THR 1 H3 THR 1 -11.647 -0.753 -5.743
4 HA THR 1 HA THR 1 -9.418 -1.114 -5.019
5 HB THR 1 HB THR 1 -8.503 1.240 -5.579
6 HG1 THR 1 HG1 THR 1 -10.690 2.102 -6.771
7 HG21 THR 1 HG21 THR 1 -10.374 -0.115 -7.531
8 HG22 THR 1 HG22 THR 1 -8.691 -0.561 -7.239
9 HG23 THR 1 HG23 THR 1 -9.077 1.009 -7.941
10 H GLN 2 H GLN 2 -7.567 0.040 -3.875
11 HA GLN 2 HA GLN 2 -8.340 0.663 -1.173
12 HB2 GLN 2 HB2 GLN 2 -6.370 -0.806 -1.632
13 HB3 GLN 2 HB3 GLN 2 -5.607 0.519 -2.486
14 HG2 GLN 2 HG2 GLN 2 -4.761 0.222 -0.205
15 HG3 GLN 2 HG3 GLN 2 -5.453 1.817 -0.505
16 HE21 GLN 2 HE21 GLN 2 -6.013 2.299 1.403
17 HE22 GLN 2 HE22 GLN 2 -7.185 1.530 2.431
18 H SER 3 H SER 3 -7.907 2.652 -0.159
19 HA SER 3 HA SER 3 -8.423 4.853 -1.886
20 HB2 SER 3 HB2 SER 3 -8.748 6.069 0.151
21 HB3 SER 3 HB3 SER 3 -9.559 4.514 0.298
22 H HIS 4 H HIS 4 -7.326 6.918 -1.291
23 HA HIS 4 HA HIS 4 -4.526 6.677 -1.958
24 HB2 HIS 4 HB2 HIS 4 -6.155 8.475 -2.823
25 HB3 HIS 4 HB3 HIS 4 -6.026 9.224 -1.248
26 HD1 HIS 4 HD1 HIS 4 -5.118 11.237 -2.928
27 HD2 HIS 4 HD2 HIS 4 -2.600 8.009 -2.322
28 HE1 HIS 4 HE1 HIS 4 -2.871 11.946 -3.813
29 HE2 HIS 4 HE2 HIS 4 -1.612 9.780 -3.853
30 H TYR 5 H TYR 5 -2.825 6.963 -0.500
31 HA TYR 5 HA TYR 5 -1.689 7.167 1.365
32 HB2 TYR 5 HB2 TYR 5 -4.083 8.699 2.307
33 HB3 TYR 5 HB3 TYR 5 -2.699 8.424 3.371
34 HD1 TYR 5 HD1 TYR 5 -4.086 10.424 0.719
35 HD2 TYR 5 HD2 TYR 5 -0.462 9.332 2.642
36 HE1 TYR 5 HE1 TYR 5 -2.983 12.394 -0.246
37 HE2 TYR 5 HE2 TYR 5 0.647 11.297 1.692
38 HH TYR 5 HH TYR 5 -0.985 13.841 0.436
39 H GLY 6 H GLY 6 -3.955 5.142 0.888
40 HA2 GLY 6 HA2 GLY 6 -4.092 4.037 3.583
41 HA3 GLY 6 HA3 GLY 6 -4.967 3.490 2.162
42 H GLN 7 H GLN 7 -3.696 1.657 3.751
43 HA GLN 7 HA GLN 7 -1.077 1.051 2.750
44 HB2 GLN 7 HB2 GLN 7 -2.018 0.463 5.037
45 HB3 GLN 7 HB3 GLN 7 -2.971 -0.768 4.229
46 HG2 GLN 7 HG2 GLN 7 -0.963 -1.861 3.466
47 HG3 GLN 7 HG3 GLN 7 0.051 -0.647 4.231
48 HE21 GLN 7 HE21 GLN 7 0.233 -3.353 4.817
49 HE22 GLN 7 HE22 GLN 7 -0.318 -3.617 6.425
50 H CYS 8 H CYS 8 -0.643 -0.178 0.995
51 HA CYS 8 HA CYS 8 -2.991 -1.313 -0.396
52 HB2 CYS 8 HB2 CYS 8 -1.704 -0.893 -2.443
53 HB3 CYS 8 HB3 CYS 8 -2.206 0.539 -1.549
54 H GLY 9 H GLY 9 -0.518 -2.556 1.292
55 HA2 GLY 9 HA2 GLY 9 -0.699 -5.105 0.619
56 HA3 GLY 9 HA3 GLY 9 0.076 -4.507 -0.828
57 H GLY 10 H GLY 10 0.406 -4.642 2.617
58 HA2 GLY 10 HA2 GLY 10 3.297 -4.809 2.240
59 HA3 GLY 10 HA3 GLY 10 2.486 -4.510 3.781
60 H ILE 11 H ILE 11 4.313 -6.522 3.673
61 HA ILE 11 HA ILE 11 3.268 -9.044 3.082
62 HB ILE 11 HB ILE 11 5.226 -8.269 5.270
63 HG12 ILE 11 HG12 ILE 11 5.723 -9.316 2.471
64 HG13 ILE 11 HG13 ILE 11 5.947 -7.652 2.987
65 HG21 ILE 11 HG21 ILE 11 4.631 -10.986 4.099
66 HG22 ILE 11 HG22 ILE 11 4.278 -10.448 5.741
67 HG23 ILE 11 HG23 ILE 11 5.951 -10.620 5.210
68 HD11 ILE 11 HD11 ILE 11 7.702 -8.364 4.521
69 HD12 ILE 11 HD12 ILE 11 8.064 -8.858 2.864
70 HD13 ILE 11 HD13 ILE 11 7.448 -10.036 4.029
71 H GLY 12 H GLY 12 1.442 -9.873 3.830
72 HA2 GLY 12 HA2 GLY 12 0.305 -10.904 5.647
73 HA3 GLY 12 HA3 GLY 12 0.821 -9.582 6.685
74 H TYR 13 H TYR 13 0.106 -7.802 4.230
75 HA TYR 13 HA TYR 13 -2.469 -7.127 5.266
76 HB2 TYR 13 HB2 TYR 13 -0.889 -5.384 4.514
77 HB3 TYR 13 HB3 TYR 13 -1.020 -5.989 2.871
78 HD1 TYR 13 HD1 TYR 13 -3.270 -4.811 5.623
79 HD2 TYR 13 HD2 TYR 13 -2.447 -4.826 1.456
80 HE1 TYR 13 HE1 TYR 13 -5.144 -3.253 5.244
81 HE2 TYR 13 HE2 TYR 13 -4.306 -3.283 1.074
82 HH TYR 13 HH TYR 13 -6.091 -2.327 1.973
83 H SER 14 H SER 14 -4.256 -8.071 4.735
84 HA SER 14 HA SER 14 -4.377 -9.526 2.193
85 HB2 SER 14 HB2 SER 14 -5.927 -10.002 4.747
86 HB3 SER 14 HB3 SER 14 -5.834 -11.064 3.336
87 HG SER 14 HG SER 14 -3.603 -10.282 4.911
88 H GLY 15 H GLY 15 -5.042 -6.681 2.921
89 HA2 GLY 15 HA2 GLY 15 -7.929 -6.547 2.417
90 HA3 GLY 15 HA3 GLY 15 -6.874 -5.210 2.855
91 HA PRO 16 HA PRO 16 -7.693 -4.917 -1.681
92 HB2 PRO 16 HB2 PRO 16 -7.775 -2.041 -0.980
93 HB3 PRO 16 HB3 PRO 16 -8.915 -2.988 -1.941
94 HG2 PRO 16 HG2 PRO 16 -9.511 -2.156 0.525
95 HG3 PRO 16 HG3 PRO 16 -10.056 -3.733 -0.078
96 HD2 PRO 16 HD2 PRO 16 -7.784 -3.099 1.779
97 HD3 PRO 16 HD3 PRO 16 -8.953 -4.423 1.848
98 H THR 17 H THR 17 -5.819 -5.149 -2.714
99 HA THR 17 HA THR 17 -3.503 -3.553 -1.918
100 HB THR 17 HB THR 17 -2.286 -5.278 -3.259
101 HG1 THR 17 HG1 THR 17 -3.370 -7.127 -3.827
102 HG21 THR 17 HG21 THR 17 -2.412 -5.402 -0.824
103 HG22 THR 17 HG22 THR 17 -2.454 -7.024 -1.520
104 HG23 THR 17 HG23 THR 17 -3.940 -6.274 -0.930
105 H VAL 18 H VAL 18 -5.889 -3.470 -4.155
106 HA VAL 18 HA VAL 18 -4.142 -2.364 -6.238
107 HB VAL 18 HB VAL 18 -7.100 -3.066 -6.393
108 HG11 VAL 18 HG11 VAL 18 -6.504 -1.246 -7.913
109 HG12 VAL 18 HG12 VAL 18 -6.870 -2.722 -8.807
110 HG13 VAL 18 HG13 VAL 18 -5.195 -2.222 -8.577
111 HG21 VAL 18 HG21 VAL 18 -5.716 -5.061 -6.209
112 HG22 VAL 18 HG22 VAL 18 -4.702 -4.498 -7.537
113 HG23 VAL 18 HG23 VAL 18 -6.385 -4.928 -7.835
114 H CYS 19 H CYS 19 -3.793 -0.256 -5.936
115 HA CYS 19 HA CYS 19 -5.460 1.409 -4.377
116 HB2 CYS 19 HB2 CYS 19 -3.212 2.069 -6.273
117 HB3 CYS 19 HB3 CYS 19 -3.919 3.152 -5.085
118 H ALA 20 H ALA 20 -6.697 3.150 -5.051
119 HA ALA 20 HA ALA 20 -8.203 3.012 -7.374
120 HB1 ALA 20 HB1 ALA 20 -7.465 5.451 -5.730
121 HB2 ALA 20 HB2 ALA 20 -8.827 4.379 -5.431
122 HB3 ALA 20 HB3 ALA 20 -8.792 5.366 -6.891
123 H SER 21 H SER 21 -7.629 3.355 -9.431
124 HA SER 21 HA SER 21 -5.039 3.875 -10.193
125 HB2 SER 21 HB2 SER 21 -7.519 4.336 -11.858
126 HB3 SER 21 HB3 SER 21 -5.878 4.047 -12.436
127 HG SER 21 HG SER 21 -6.023 2.037 -11.141
128 H GLY 22 H GLY 22 -3.896 5.595 -10.707
129 HA2 GLY 22 HA2 GLY 22 -3.668 7.958 -11.117
130 HA3 GLY 22 HA3 GLY 22 -5.098 8.206 -10.115
131 H THR 23 H THR 23 -3.843 5.853 -8.423
132 HA THR 23 HA THR 23 -1.729 7.419 -7.167
133 HB THR 23 HB THR 23 -2.358 6.427 -4.987
134 HG1 THR 23 HG1 THR 23 -4.482 5.216 -6.454
135 HG21 THR 23 HG21 THR 23 -4.736 7.660 -6.377
136 HG22 THR 23 HG22 THR 23 -3.424 8.542 -5.599
137 HG23 THR 23 HG23 THR 23 -4.513 7.545 -4.631
138 H THR 24 H THR 24 0.051 6.143 -6.390
139 HA THR 24 HA THR 24 0.141 3.500 -7.658
140 HB THR 24 HB THR 24 2.666 3.861 -7.638
141 HG1 THR 24 HG1 THR 24 1.802 6.345 -6.638
142 HG21 THR 24 HG21 THR 24 1.339 4.043 -9.696
143 HG22 THR 24 HG22 THR 24 2.641 5.230 -9.684
144 HG23 THR 24 HG23 THR 24 0.987 5.730 -9.322
145 H CYS 25 H CYS 25 0.786 1.759 -6.451
146 HA CYS 25 HA CYS 25 0.770 2.121 -3.605
147 HB2 CYS 25 HB2 CYS 25 -0.408 0.208 -4.519
148 HB3 CYS 25 HB3 CYS 25 1.065 -0.383 -5.303
149 H GLN 26 H GLN 26 2.544 2.930 -2.781
150 HA GLN 26 HA GLN 26 5.083 1.991 -3.818
151 HB2 GLN 26 HB2 GLN 26 4.289 4.503 -2.415
152 HB3 GLN 26 HB3 GLN 26 5.979 4.022 -2.512
153 HG2 GLN 26 HG2 GLN 26 5.838 3.995 -4.953
154 HG3 GLN 26 HG3 GLN 26 4.114 4.359 -4.821
155 HE21 GLN 26 HE21 GLN 26 3.500 6.398 -4.636
156 HE22 GLN 26 HE22 GLN 26 4.542 7.771 -4.557
157 H VAL 27 H VAL 27 6.068 0.555 -2.807
158 HA VAL 27 HA VAL 27 5.443 -0.209 -0.127
159 HB VAL 27 HB VAL 27 7.727 -1.102 -1.918
160 HG11 VAL 27 HG11 VAL 27 7.870 -3.072 -0.440
161 HG12 VAL 27 HG12 VAL 27 6.642 -2.361 0.606
162 HG13 VAL 27 HG13 VAL 27 8.207 -1.574 0.425
163 HG21 VAL 27 HG21 VAL 27 5.565 -1.603 -2.912
164 HG22 VAL 27 HG22 VAL 27 5.035 -2.375 -1.417
165 HG23 VAL 27 HG23 VAL 27 6.342 -3.087 -2.362
166 H LEU 28 H LEU 28 6.033 1.009 1.450
167 HA LEU 28 HA LEU 28 8.420 2.678 1.306
168 HB2 LEU 28 HB2 LEU 28 6.184 2.547 3.332
169 HB3 LEU 28 HB3 LEU 28 7.473 3.739 3.325
170 HG LEU 28 HG LEU 28 5.423 3.429 1.118
171 HD11 LEU 28 HD11 LEU 28 5.606 5.489 3.307
172 HD12 LEU 28 HD12 LEU 28 4.369 4.232 3.150
173 HD13 LEU 28 HD13 LEU 28 4.489 5.510 1.940
174 HD21 LEU 28 HD21 LEU 28 6.286 5.583 0.380
175 HD22 LEU 28 HD22 LEU 28 7.525 4.315 0.364
176 HD23 LEU 28 HD23 LEU 28 7.490 5.509 1.674
177 H ASN 29 H ASN 29 6.980 0.097 3.166
178 HA ASN 29 HA ASN 29 9.583 -0.623 4.239
179 HB2 ASN 29 HB2 ASN 29 7.024 -0.440 5.889
180 HB3 ASN 29 HB3 ASN 29 8.547 -1.100 6.445
181 HD21 ASN 29 HD21 ASN 29 6.742 1.771 5.835
182 HD22 ASN 29 HD22 ASN 29 7.848 2.878 6.553
183 HA PRO 30 HA PRO 30 8.304 -4.685 2.978
184 HB2 PRO 30 HB2 PRO 30 8.416 -5.659 5.788
185 HB3 PRO 30 HB3 PRO 30 9.172 -6.332 4.337
186 HG2 PRO 30 HG2 PRO 30 10.647 -5.005 6.071
187 HG3 PRO 30 HG3 PRO 30 10.874 -4.748 4.331
188 HD2 PRO 30 HD2 PRO 30 9.465 -3.022 6.330
189 HD3 PRO 30 HD3 PRO 30 10.523 -2.543 4.986
190 H TYR 31 H TYR 31 6.685 -3.644 5.984
191 HA TYR 31 HA TYR 31 4.356 -5.211 5.119
192 HB2 TYR 31 HB2 TYR 31 4.748 -3.861 7.799
193 HB3 TYR 31 HB3 TYR 31 3.569 -5.087 7.373
194 HD1 TYR 31 HD1 TYR 31 4.313 -7.434 7.005
195 HD2 TYR 31 HD2 TYR 31 6.970 -4.460 8.467
196 HE1 TYR 31 HE1 TYR 31 5.867 -9.186 7.755
197 HE2 TYR 31 HE2 TYR 31 8.521 -6.197 9.218
198 HH TYR 31 HH TYR 31 8.376 -8.594 9.871
199 H TYR 32 H TYR 32 5.509 -1.988 5.658
200 HA TYR 32 HA TYR 32 2.834 -0.934 5.284
201 HB2 TYR 32 HB2 TYR 32 4.260 0.004 7.069
202 HB3 TYR 32 HB3 TYR 32 5.370 0.580 5.830
203 HD1 TYR 32 HD1 TYR 32 5.237 2.854 5.435
204 HD2 TYR 32 HD2 TYR 32 1.684 0.676 6.363
205 HE1 TYR 32 HE1 TYR 32 3.957 4.891 5.285
206 HE2 TYR 32 HE2 TYR 32 0.382 2.740 6.200
207 HH TYR 32 HH TYR 32 0.673 5.087 6.324
208 H SER 33 H SER 33 2.123 -0.616 3.328
209 HA SER 33 HA SER 33 3.888 0.599 1.317
210 HB2 SER 33 HB2 SER 33 1.728 -1.480 0.767
211 HB3 SER 33 HB3 SER 33 2.830 -0.773 -0.411
212 HG SER 33 HG SER 33 3.307 -2.946 0.471
213 H GLN 34 H GLN 34 2.770 2.306 0.164
214 HA GLN 34 HA GLN 34 0.044 2.758 1.104
215 HB2 GLN 34 HB2 GLN 34 1.318 4.056 2.626
216 HB3 GLN 34 HB3 GLN 34 2.357 4.671 1.356
217 HG2 GLN 34 HG2 GLN 34 0.581 6.052 0.503
218 HG3 GLN 34 HG3 GLN 34 -0.568 5.308 1.607
219 HE21 GLN 34 HE21 GLN 34 -0.702 6.025 3.645
220 HE22 GLN 34 HE22 GLN 34 0.189 7.332 4.298
221 H CYS 35 H CYS 35 -1.324 3.570 -0.307
222 HA CYS 35 HA CYS 35 -0.599 3.837 -3.069
223 HB2 CYS 35 HB2 CYS 35 -3.171 4.634 -1.689
224 HB3 CYS 35 HB3 CYS 35 -2.941 4.464 -3.421
225 H LEU 36 H LEU 36 0.529 5.552 -3.672
226 HA LEU 36 HA LEU 36 -0.308 8.182 -2.710
227 HB2 LEU 36 HB2 LEU 36 2.453 7.203 -3.410
228 HB3 LEU 36 HB3 LEU 36 2.059 8.894 -3.171
229 HG LEU 36 HG LEU 36 1.758 6.757 -1.061
230 HD11 LEU 36 HD11 LEU 36 3.901 8.856 -1.388
231 HD12 LEU 36 HD12 LEU 36 4.112 7.116 -1.612
232 HD13 LEU 36 HD13 LEU 36 3.709 7.756 -0.020
233 HD21 LEU 36 HD21 LEU 36 1.510 8.678 0.439
234 HD22 LEU 36 HD22 LEU 36 0.234 8.608 -0.768
235 HD23 LEU 36 HD23 LEU 36 1.559 9.761 -0.950
236 H1 MAN 101 H1 MAN 101 -8.739 6.336 2.298
237 H2 MAN 101 H2 MAN 101 -6.496 5.862 3.312
238 H3 MAN 101 H3 MAN 101 -6.619 3.421 3.350
239 H4 MAN 101 H4 MAN 101 -8.778 3.894 5.407
240 H5 MAN 101 H5 MAN 101 -8.832 2.651 2.608
241 H61 MAN 101 H61 MAN 101 -10.447 1.585 4.181
242 H62 MAN 101 H62 MAN 101 -11.229 2.437 2.834
243 HO2 MAN 101 HO2 MAN 101 -7.237 6.075 5.436
244 HO3 MAN 101 HO3 MAN 101 -6.128 3.142 5.529
245 HO4 MAN 101 HO4 MAN 101 -8.767 1.613 5.462
246 HO6 MAN 101 HO6 MAN 101 -11.150 4.309 4.517
Start of MODEL 7
1 H1 THR 1 H1 THR 1 -11.760 -0.525 -5.956
2 H2 THR 1 H2 THR 1 -11.834 0.906 -5.065
3 H3 THR 1 H3 THR 1 -11.813 -0.580 -4.251
4 HA THR 1 HA THR 1 -9.568 -0.917 -5.167
5 HB THR 1 HB THR 1 -8.576 1.370 -5.871
6 HG1 THR 1 HG1 THR 1 -10.356 2.478 -7.139
7 HG21 THR 1 HG21 THR 1 -10.414 -0.105 -7.764
8 HG22 THR 1 HG22 THR 1 -8.767 -0.596 -7.349
9 HG23 THR 1 HG23 THR 1 -9.043 0.921 -8.205
10 H GLN 2 H GLN 2 -7.700 0.042 -4.025
11 HA GLN 2 HA GLN 2 -8.398 0.751 -1.355
12 HB2 GLN 2 HB2 GLN 2 -6.539 -0.786 -1.813
13 HB3 GLN 2 HB3 GLN 2 -5.724 0.443 -2.754
14 HG2 GLN 2 HG2 GLN 2 -4.763 0.207 -0.505
15 HG3 GLN 2 HG3 GLN 2 -5.426 1.802 -0.830
16 HE21 GLN 2 HE21 GLN 2 -5.800 2.316 1.012
17 HE22 GLN 2 HE22 GLN 2 -6.905 1.667 2.205
18 H SER 3 H SER 3 -7.997 2.722 -0.281
19 HA SER 3 HA SER 3 -8.319 4.990 -1.953
20 HB2 SER 3 HB2 SER 3 -8.621 6.194 0.118
21 HB3 SER 3 HB3 SER 3 -9.595 4.731 0.128
22 H HIS 4 H HIS 4 -7.132 6.926 -1.666
23 HA HIS 4 HA HIS 4 -4.306 6.675 -1.936
24 HB2 HIS 4 HB2 HIS 4 -5.820 8.471 -2.961
25 HB3 HIS 4 HB3 HIS 4 -5.906 9.197 -1.375
26 HD1 HIS 4 HD1 HIS 4 -4.834 11.347 -2.637
27 HD2 HIS 4 HD2 HIS 4 -2.374 8.024 -2.376
28 HE1 HIS 4 HE1 HIS 4 -2.551 12.158 -3.228
29 HE2 HIS 4 HE2 HIS 4 -1.298 9.994 -3.561
30 H TYR 5 H TYR 5 -2.748 6.859 -0.392
31 HA TYR 5 HA TYR 5 -1.725 7.072 1.534
32 HB2 TYR 5 HB2 TYR 5 -4.160 8.604 2.331
33 HB3 TYR 5 HB3 TYR 5 -2.902 8.252 3.521
34 HD1 TYR 5 HD1 TYR 5 -3.888 10.256 0.664
35 HD2 TYR 5 HD2 TYR 5 -0.656 9.236 3.218
36 HE1 TYR 5 HE1 TYR 5 -2.671 12.242 -0.099
37 HE2 TYR 5 HE2 TYR 5 0.575 11.208 2.468
38 HH TYR 5 HH TYR 5 0.606 12.737 0.492
39 H GLY 6 H GLY 6 -4.065 5.101 0.903
40 HA2 GLY 6 HA2 GLY 6 -4.188 3.904 3.556
41 HA3 GLY 6 HA3 GLY 6 -5.124 3.414 2.182
42 H GLN 7 H GLN 7 -3.750 1.594 3.735
43 HA GLN 7 HA GLN 7 -1.169 1.013 2.672
44 HB2 GLN 7 HB2 GLN 7 -2.022 0.442 4.976
45 HB3 GLN 7 HB3 GLN 7 -3.004 -0.815 4.235
46 HG2 GLN 7 HG2 GLN 7 -0.997 -1.963 3.492
47 HG3 GLN 7 HG3 GLN 7 0.016 -0.673 4.148
48 HE21 GLN 7 HE21 GLN 7 0.200 -3.412 4.928
49 HE22 GLN 7 HE22 GLN 7 -0.302 -3.501 6.568
50 H CYS 8 H CYS 8 -0.684 -0.174 0.914
51 HA CYS 8 HA CYS 8 -2.951 -1.375 -0.542
52 HB2 CYS 8 HB2 CYS 8 -1.631 -0.995 -2.563
53 HB3 CYS 8 HB3 CYS 8 -2.030 0.488 -1.704
54 H GLY 9 H GLY 9 -0.873 -2.649 1.378
55 HA2 GLY 9 HA2 GLY 9 -0.902 -5.160 1.082
56 HA3 GLY 9 HA3 GLY 9 -0.366 -4.832 -0.553
57 H GLY 10 H GLY 10 0.507 -4.501 2.784
58 HA2 GLY 10 HA2 GLY 10 3.307 -4.867 2.035
59 HA3 GLY 10 HA3 GLY 10 2.725 -4.373 3.635
60 H ILE 11 H ILE 11 4.385 -6.497 3.617
61 HA ILE 11 HA ILE 11 3.211 -9.023 3.307
62 HB ILE 11 HB ILE 11 5.225 -8.190 5.425
63 HG12 ILE 11 HG12 ILE 11 5.742 -9.333 2.676
64 HG13 ILE 11 HG13 ILE 11 5.917 -7.632 3.093
65 HG21 ILE 11 HG21 ILE 11 5.924 -10.554 5.389
66 HG22 ILE 11 HG22 ILE 11 4.607 -10.916 4.273
67 HG23 ILE 11 HG23 ILE 11 4.251 -10.360 5.910
68 HD11 ILE 11 HD11 ILE 11 8.064 -8.784 3.079
69 HD12 ILE 11 HD12 ILE 11 7.452 -9.910 4.298
70 HD13 ILE 11 HD13 ILE 11 7.650 -8.205 4.697
71 H GLY 12 H GLY 12 1.332 -9.670 4.216
72 HA2 GLY 12 HA2 GLY 12 0.297 -10.485 6.223
73 HA3 GLY 12 HA3 GLY 12 0.916 -9.081 7.067
74 H TYR 13 H TYR 13 -0.045 -7.750 4.315
75 HA TYR 13 HA TYR 13 -2.673 -7.082 5.434
76 HB2 TYR 13 HB2 TYR 13 -1.138 -5.214 4.856
77 HB3 TYR 13 HB3 TYR 13 -1.113 -5.762 3.194
78 HD1 TYR 13 HD1 TYR 13 -3.361 -4.372 5.831
79 HD2 TYR 13 HD2 TYR 13 -2.743 -4.959 1.663
80 HE1 TYR 13 HE1 TYR 13 -5.228 -2.833 5.325
81 HE2 TYR 13 HE2 TYR 13 -4.598 -3.445 1.169
82 HH TYR 13 HH TYR 13 -6.239 -2.272 1.972
83 H SER 14 H SER 14 -4.276 -8.297 4.739
84 HA SER 14 HA SER 14 -4.068 -9.662 2.161
85 HB2 SER 14 HB2 SER 14 -6.032 -10.091 4.408
86 HB3 SER 14 HB3 SER 14 -5.699 -11.178 3.058
87 HG SER 14 HG SER 14 -3.453 -11.096 3.915
88 H GLY 15 H GLY 15 -5.274 -6.857 3.267
89 HA2 GLY 15 HA2 GLY 15 -7.934 -6.861 2.167
90 HA3 GLY 15 HA3 GLY 15 -7.046 -5.481 2.768
91 HA PRO 16 HA PRO 16 -7.545 -4.877 -1.799
92 HB2 PRO 16 HB2 PRO 16 -7.628 -2.090 -0.790
93 HB3 PRO 16 HB3 PRO 16 -8.704 -2.893 -1.945
94 HG2 PRO 16 HG2 PRO 16 -9.512 -2.362 0.526
95 HG3 PRO 16 HG3 PRO 16 -9.945 -3.888 -0.269
96 HD2 PRO 16 HD2 PRO 16 -7.840 -3.376 1.802
97 HD3 PRO 16 HD3 PRO 16 -8.987 -4.720 1.661
98 H THR 17 H THR 17 -5.603 -5.105 -2.699
99 HA THR 17 HA THR 17 -3.366 -3.446 -1.840
100 HB THR 17 HB THR 17 -2.044 -5.089 -3.191
101 HG1 THR 17 HG1 THR 17 -3.365 -6.012 -4.619
102 HG21 THR 17 HG21 THR 17 -2.395 -5.398 -0.765
103 HG22 THR 17 HG22 THR 17 -2.277 -6.942 -1.605
104 HG23 THR 17 HG23 THR 17 -3.853 -6.327 -1.105
105 H VAL 18 H VAL 18 -5.716 -3.655 -4.200
106 HA VAL 18 HA VAL 18 -4.139 -2.425 -6.303
107 HB VAL 18 HB VAL 18 -7.087 -3.172 -6.240
108 HG11 VAL 18 HG11 VAL 18 -6.662 -1.305 -7.777
109 HG12 VAL 18 HG12 VAL 18 -7.063 -2.780 -8.660
110 HG13 VAL 18 HG13 VAL 18 -5.388 -2.243 -8.559
111 HG21 VAL 18 HG21 VAL 18 -6.450 -4.999 -7.715
112 HG22 VAL 18 HG22 VAL 18 -5.548 -5.098 -6.198
113 HG23 VAL 18 HG23 VAL 18 -4.767 -4.487 -7.651
114 H CYS 19 H CYS 19 -3.776 -0.346 -6.116
115 HA CYS 19 HA CYS 19 -5.295 1.386 -4.466
116 HB2 CYS 19 HB2 CYS 19 -3.145 1.916 -6.506
117 HB3 CYS 19 HB3 CYS 19 -3.783 3.095 -5.370
118 H ALA 20 H ALA 20 -6.469 3.212 -5.128
119 HA ALA 20 HA ALA 20 -8.108 2.920 -7.377
120 HB1 ALA 20 HB1 ALA 20 -8.767 4.244 -5.445
121 HB2 ALA 20 HB2 ALA 20 -8.811 5.226 -6.909
122 HB3 ALA 20 HB3 ALA 20 -7.474 5.403 -5.765
123 H SER 21 H SER 21 -7.964 3.768 -9.398
124 HA SER 21 HA SER 21 -5.534 4.074 -10.610
125 HB2 SER 21 HB2 SER 21 -8.141 5.302 -11.468
126 HB3 SER 21 HB3 SER 21 -6.799 4.805 -12.509
127 HG SER 21 HG SER 21 -8.583 3.294 -12.316
128 H GLY 22 H GLY 22 -4.086 5.669 -10.683
129 HA2 GLY 22 HA2 GLY 22 -3.576 8.011 -10.983
130 HA3 GLY 22 HA3 GLY 22 -4.953 8.381 -9.949
131 H THR 23 H THR 23 -3.924 5.893 -8.342
132 HA THR 23 HA THR 23 -1.798 7.363 -6.972
133 HB THR 23 HB THR 23 -2.474 6.261 -4.863
134 HG1 THR 23 HG1 THR 23 -4.456 5.060 -6.517
135 HG21 THR 23 HG21 THR 23 -3.463 8.414 -5.324
136 HG22 THR 23 HG22 THR 23 -4.642 7.378 -4.521
137 HG23 THR 23 HG23 THR 23 -4.742 7.648 -6.264
138 H THR 24 H THR 24 -0.021 6.126 -6.213
139 HA THR 24 HA THR 24 0.156 3.578 -7.626
140 HB THR 24 HB THR 24 2.673 4.006 -7.572
141 HG1 THR 24 HG1 THR 24 1.734 6.425 -6.480
142 HG21 THR 24 HG21 THR 24 0.930 5.891 -9.167
143 HG22 THR 24 HG22 THR 24 1.340 4.235 -9.613
144 HG23 THR 24 HG23 THR 24 2.599 5.470 -9.555
145 H CYS 25 H CYS 25 0.881 1.800 -6.561
146 HA CYS 25 HA CYS 25 0.766 1.959 -3.685
147 HB2 CYS 25 HB2 CYS 25 -0.370 0.099 -4.738
148 HB3 CYS 25 HB3 CYS 25 1.108 -0.439 -5.522
149 H GLN 26 H GLN 26 2.485 2.795 -2.819
150 HA GLN 26 HA GLN 26 5.085 1.966 -3.810
151 HB2 GLN 26 HB2 GLN 26 4.248 4.314 -2.111
152 HB3 GLN 26 HB3 GLN 26 5.907 3.977 -2.590
153 HG2 GLN 26 HG2 GLN 26 5.260 4.190 -4.949
154 HG3 GLN 26 HG3 GLN 26 3.604 4.508 -4.461
155 HE21 GLN 26 HE21 GLN 26 3.576 6.455 -5.470
156 HE22 GLN 26 HE22 GLN 26 4.397 7.847 -4.872
157 H VAL 27 H VAL 27 5.995 0.421 -2.756
158 HA VAL 27 HA VAL 27 5.188 -0.291 -0.097
159 HB VAL 27 HB VAL 27 7.466 -1.443 -1.751
160 HG11 VAL 27 HG11 VAL 27 5.953 -2.625 0.570
161 HG12 VAL 27 HG12 VAL 27 7.571 -1.940 0.642
162 HG13 VAL 27 HG13 VAL 27 7.272 -3.393 -0.319
163 HG21 VAL 27 HG21 VAL 27 5.906 -3.237 -2.387
164 HG22 VAL 27 HG22 VAL 27 5.371 -1.665 -2.979
165 HG23 VAL 27 HG23 VAL 27 4.601 -2.383 -1.565
166 H LEU 28 H LEU 28 5.764 1.245 1.225
167 HA LEU 28 HA LEU 28 8.221 2.702 1.079
168 HB2 LEU 28 HB2 LEU 28 6.059 2.666 3.181
169 HB3 LEU 28 HB3 LEU 28 7.358 3.837 3.101
170 HG LEU 28 HG LEU 28 5.247 3.497 0.957
171 HD11 LEU 28 HD11 LEU 28 5.487 5.603 3.097
172 HD12 LEU 28 HD12 LEU 28 4.267 4.330 3.033
173 HD13 LEU 28 HD13 LEU 28 4.313 5.575 1.782
174 HD21 LEU 28 HD21 LEU 28 7.323 5.588 1.440
175 HD22 LEU 28 HD22 LEU 28 6.085 5.652 0.181
176 HD23 LEU 28 HD23 LEU 28 7.341 4.401 0.130
177 H ASN 29 H ASN 29 6.911 0.118 3.046
178 HA ASN 29 HA ASN 29 9.579 -0.482 4.065
179 HB2 ASN 29 HB2 ASN 29 7.092 -0.617 5.867
180 HB3 ASN 29 HB3 ASN 29 8.719 -1.040 6.295
181 HD21 ASN 29 HD21 ASN 29 7.568 1.940 4.759
182 HD22 ASN 29 HD22 ASN 29 8.059 3.017 6.008
183 HA PRO 30 HA PRO 30 8.379 -4.590 2.776
184 HB2 PRO 30 HB2 PRO 30 8.717 -5.558 5.578
185 HB3 PRO 30 HB3 PRO 30 9.391 -6.212 4.079
186 HG2 PRO 30 HG2 PRO 30 10.944 -4.820 5.694
187 HG3 PRO 30 HG3 PRO 30 11.029 -4.550 3.942
188 HD2 PRO 30 HD2 PRO 30 9.703 -2.895 6.052
189 HD3 PRO 30 HD3 PRO 30 10.635 -2.376 4.632
190 H TYR 31 H TYR 31 6.985 -3.625 5.880
191 HA TYR 31 HA TYR 31 4.599 -5.218 5.246
192 HB2 TYR 31 HB2 TYR 31 5.262 -3.739 7.805
193 HB3 TYR 31 HB3 TYR 31 3.926 -4.859 7.562
194 HD1 TYR 31 HD1 TYR 31 4.437 -7.281 7.169
195 HD2 TYR 31 HD2 TYR 31 7.415 -4.525 8.379
196 HE1 TYR 31 HE1 TYR 31 5.874 -9.147 7.851
197 HE2 TYR 31 HE2 TYR 31 8.872 -6.369 9.068
198 HH TYR 31 HH TYR 31 8.413 -8.848 9.839
199 H TYR 32 H TYR 32 5.745 -1.970 5.414
200 HA TYR 32 HA TYR 32 3.023 -0.965 5.323
201 HB2 TYR 32 HB2 TYR 32 4.590 0.075 6.936
202 HB3 TYR 32 HB3 TYR 32 5.558 0.629 5.574
203 HD1 TYR 32 HD1 TYR 32 1.915 0.579 6.264
204 HD2 TYR 32 HD2 TYR 32 5.335 2.921 5.305
205 HE1 TYR 32 HE1 TYR 32 0.511 2.560 6.170
206 HE2 TYR 32 HE2 TYR 32 3.966 4.909 5.208
207 HH TYR 32 HH TYR 32 1.606 5.541 4.918
208 H SER 33 H SER 33 2.149 -0.771 3.404
209 HA SER 33 HA SER 33 3.752 0.404 1.250
210 HB2 SER 33 HB2 SER 33 1.588 -1.702 0.921
211 HB3 SER 33 HB3 SER 33 2.624 -1.049 -0.347
212 HG SER 33 HG SER 33 3.293 -3.130 0.477
213 H GLN 34 H GLN 34 2.644 2.102 0.230
214 HA GLN 34 HA GLN 34 -0.107 2.528 1.107
215 HB2 GLN 34 HB2 GLN 34 1.083 3.768 2.730
216 HB3 GLN 34 HB3 GLN 34 2.222 4.381 1.547
217 HG2 GLN 34 HG2 GLN 34 0.517 5.823 0.613
218 HG3 GLN 34 HG3 GLN 34 -0.684 5.130 1.694
219 HE21 GLN 34 HE21 GLN 34 -0.855 5.884 3.757
220 HE22 GLN 34 HE22 GLN 34 0.107 7.160 4.377
221 H CYS 35 H CYS 35 -1.408 3.421 -0.362
222 HA CYS 35 HA CYS 35 -0.483 3.787 -3.054
223 HB2 CYS 35 HB2 CYS 35 -3.161 4.528 -1.852
224 HB3 CYS 35 HB3 CYS 35 -2.785 4.400 -3.565
225 H LEU 36 H LEU 36 0.676 5.512 -3.522
226 HA LEU 36 HA LEU 36 -0.127 8.090 -2.430
227 HB2 LEU 36 HB2 LEU 36 2.610 7.047 -3.089
228 HB3 LEU 36 HB3 LEU 36 2.279 8.756 -2.880
229 HG LEU 36 HG LEU 36 1.827 6.654 -0.761
230 HD11 LEU 36 HD11 LEU 36 3.759 7.617 0.346
231 HD12 LEU 36 HD12 LEU 36 4.021 8.702 -1.022
232 HD13 LEU 36 HD13 LEU 36 4.209 6.959 -1.231
233 HD21 LEU 36 HD21 LEU 36 1.668 9.660 -0.710
234 HD22 LEU 36 HD22 LEU 36 1.563 8.605 0.703
235 HD23 LEU 36 HD23 LEU 36 0.325 8.525 -0.547
236 H1 MAN 101 H1 MAN 101 -8.780 6.328 2.318
237 H2 MAN 101 H2 MAN 101 -6.751 5.523 3.574
238 H3 MAN 101 H3 MAN 101 -7.125 3.116 3.478
239 H4 MAN 101 H4 MAN 101 -9.551 3.755 5.205
240 H5 MAN 101 H5 MAN 101 -9.437 2.737 2.279
241 H61 MAN 101 H61 MAN 101 -11.621 3.221 4.306
242 H62 MAN 101 H62 MAN 101 -11.361 1.753 3.332
243 HO2 MAN 101 HO2 MAN 101 -7.808 5.784 5.616
244 HO3 MAN 101 HO3 MAN 101 -6.114 4.045 5.401
245 HO4 MAN 101 HO4 MAN 101 -8.560 1.259 4.194
246 HO6 MAN 101 HO6 MAN 101 -11.882 4.335 2.228
Start of MODEL 8
1 H1 THR 1 H1 THR 1 -11.554 -0.834 -4.252
2 H2 THR 1 H2 THR 1 -11.763 -0.232 -5.832
3 H3 THR 1 H3 THR 1 -11.877 0.800 -4.501
4 HA THR 1 HA THR 1 -9.440 -0.576 -5.349
5 HB THR 1 HB THR 1 -8.746 1.849 -5.687
6 HG1 THR 1 HG1 THR 1 -10.484 2.938 -4.704
7 HG21 THR 1 HG21 THR 1 -10.858 0.649 -7.484
8 HG22 THR 1 HG22 THR 1 -9.115 0.363 -7.573
9 HG23 THR 1 HG23 THR 1 -9.771 1.955 -7.948
10 H GLN 2 H GLN 2 -7.592 0.215 -4.109
11 HA GLN 2 HA GLN 2 -8.267 0.614 -1.365
12 HB2 GLN 2 HB2 GLN 2 -6.382 -0.873 -1.934
13 HB3 GLN 2 HB3 GLN 2 -5.567 0.456 -2.751
14 HG2 GLN 2 HG2 GLN 2 -4.661 0.053 -0.487
15 HG3 GLN 2 HG3 GLN 2 -5.349 1.658 -0.700
16 HE21 GLN 2 HE21 GLN 2 -5.868 2.057 1.215
17 HE22 GLN 2 HE22 GLN 2 -7.029 1.251 2.232
18 H SER 3 H SER 3 -7.972 2.501 -0.214
19 HA SER 3 HA SER 3 -8.350 4.834 -1.705
20 HB2 SER 3 HB2 SER 3 -8.480 5.937 0.435
21 HB3 SER 3 HB3 SER 3 -9.443 4.468 0.467
22 H HIS 4 H HIS 4 -7.249 6.744 -1.313
23 HA HIS 4 HA HIS 4 -4.450 6.640 -1.907
24 HB2 HIS 4 HB2 HIS 4 -6.181 8.346 -2.752
25 HB3 HIS 4 HB3 HIS 4 -6.126 9.051 -1.147
26 HD1 HIS 4 HD1 HIS 4 -5.370 11.201 -2.628
27 HD2 HIS 4 HD2 HIS 4 -2.644 8.099 -2.357
28 HE1 HIS 4 HE1 HIS 4 -3.198 12.153 -3.413
29 HE2 HIS 4 HE2 HIS 4 -1.855 10.053 -3.754
30 H TYR 5 H TYR 5 -2.825 6.771 -0.412
31 HA TYR 5 HA TYR 5 -1.714 6.973 1.467
32 HB2 TYR 5 HB2 TYR 5 -4.069 8.596 2.340
33 HB3 TYR 5 HB3 TYR 5 -2.832 8.156 3.516
34 HD1 TYR 5 HD1 TYR 5 -0.784 9.241 3.563
35 HD2 TYR 5 HD2 TYR 5 -3.434 9.994 0.344
36 HE1 TYR 5 HE1 TYR 5 0.645 11.090 2.844
37 HE2 TYR 5 HE2 TYR 5 -2.009 11.858 -0.398
38 HH TYR 5 HH TYR 5 1.113 12.238 0.897
39 H GLY 6 H GLY 6 -4.004 4.997 0.912
40 HA2 GLY 6 HA2 GLY 6 -4.131 3.772 3.553
41 HA3 GLY 6 HA3 GLY 6 -5.038 3.301 2.139
42 H GLN 7 H GLN 7 -3.744 1.389 3.617
43 HA GLN 7 HA GLN 7 -1.110 0.873 2.631
44 HB2 GLN 7 HB2 GLN 7 -2.061 0.198 4.909
45 HB3 GLN 7 HB3 GLN 7 -2.956 -1.048 4.059
46 HG2 GLN 7 HG2 GLN 7 -0.929 -2.111 3.369
47 HG3 GLN 7 HG3 GLN 7 0.058 -0.824 4.056
48 HE21 GLN 7 HE21 GLN 7 0.313 -3.549 4.741
49 HE22 GLN 7 HE22 GLN 7 -0.139 -3.723 6.382
50 H CYS 8 H CYS 8 -0.606 -0.249 0.842
51 HA CYS 8 HA CYS 8 -2.883 -1.347 -0.679
52 HB2 CYS 8 HB2 CYS 8 -1.511 -0.951 -2.665
53 HB3 CYS 8 HB3 CYS 8 -1.921 0.502 -1.761
54 H GLY 9 H GLY 9 -0.584 -2.705 1.126
55 HA2 GLY 9 HA2 GLY 9 -0.796 -5.254 0.540
56 HA3 GLY 9 HA3 GLY 9 -0.053 -4.731 -0.955
57 H GLY 10 H GLY 10 0.444 -4.490 2.490
58 HA2 GLY 10 HA2 GLY 10 3.291 -4.906 1.990
59 HA3 GLY 10 HA3 GLY 10 2.593 -4.322 3.507
60 H ILE 11 H ILE 11 4.268 -6.394 3.706
61 HA ILE 11 HA ILE 11 2.969 -8.870 3.591
62 HB ILE 11 HB ILE 11 5.267 -7.968 5.354
63 HG12 ILE 11 HG12 ILE 11 5.220 -9.503 2.742
64 HG13 ILE 11 HG13 ILE 11 5.640 -7.807 2.925
65 HG21 ILE 11 HG21 ILE 11 4.293 -10.769 4.740
66 HG22 ILE 11 HG22 ILE 11 4.177 -9.960 6.298
67 HG23 ILE 11 HG23 ILE 11 5.760 -10.369 5.632
68 HD11 ILE 11 HD11 ILE 11 7.574 -8.429 4.253
69 HD12 ILE 11 HD12 ILE 11 7.598 -9.223 2.674
70 HD13 ILE 11 HD13 ILE 11 7.121 -10.125 4.113
71 H GLY 12 H GLY 12 1.364 -9.618 4.788
72 HA2 GLY 12 HA2 GLY 12 0.292 -10.069 6.852
73 HA3 GLY 12 HA3 GLY 12 1.001 -8.598 7.507
74 H TYR 13 H TYR 13 -0.037 -7.905 4.467
75 HA TYR 13 HA TYR 13 -2.563 -6.873 5.513
76 HB2 TYR 13 HB2 TYR 13 -0.930 -5.201 4.632
77 HB3 TYR 13 HB3 TYR 13 -1.061 -5.969 3.057
78 HD1 TYR 13 HD1 TYR 13 -2.473 -4.956 1.540
79 HD2 TYR 13 HD2 TYR 13 -3.334 -4.584 5.675
80 HE1 TYR 13 HE1 TYR 13 -4.354 -3.490 1.009
81 HE2 TYR 13 HE2 TYR 13 -5.238 -3.106 5.149
82 HH TYR 13 HH TYR 13 -6.258 -2.559 1.855
83 H SER 14 H SER 14 -4.136 -8.114 5.067
84 HA SER 14 HA SER 14 -4.146 -9.844 2.723
85 HB2 SER 14 HB2 SER 14 -6.071 -9.811 5.041
86 HB3 SER 14 HB3 SER 14 -5.669 -11.153 3.970
87 HG SER 14 HG SER 14 -4.253 -11.662 5.487
88 H GLY 15 H GLY 15 -5.023 -6.804 3.272
89 HA2 GLY 15 HA2 GLY 15 -7.799 -6.871 2.370
90 HA3 GLY 15 HA3 GLY 15 -6.898 -5.452 2.870
91 HA PRO 16 HA PRO 16 -7.476 -5.331 -1.781
92 HB2 PRO 16 HB2 PRO 16 -7.792 -2.463 -1.118
93 HB3 PRO 16 HB3 PRO 16 -8.797 -3.501 -2.138
94 HG2 PRO 16 HG2 PRO 16 -9.635 -2.718 0.254
95 HG3 PRO 16 HG3 PRO 16 -9.972 -4.353 -0.342
96 HD2 PRO 16 HD2 PRO 16 -7.904 -3.447 1.631
97 HD3 PRO 16 HD3 PRO 16 -8.947 -4.880 1.671
98 H THR 17 H THR 17 -5.703 -5.279 -2.941
99 HA THR 17 HA THR 17 -3.440 -3.577 -2.156
100 HB THR 17 HB THR 17 -2.202 -5.158 -3.659
101 HG1 THR 17 HG1 THR 17 -3.533 -6.235 -4.891
102 HG21 THR 17 HG21 THR 17 -2.192 -6.996 -2.029
103 HG22 THR 17 HG22 THR 17 -3.714 -6.410 -1.354
104 HG23 THR 17 HG23 THR 17 -2.253 -5.434 -1.207
105 H VAL 18 H VAL 18 -5.980 -3.425 -4.253
106 HA VAL 18 HA VAL 18 -4.375 -2.489 -6.508
107 HB VAL 18 HB VAL 18 -7.379 -2.897 -6.374
108 HG11 VAL 18 HG11 VAL 18 -6.756 -1.271 -8.061
109 HG12 VAL 18 HG12 VAL 18 -7.289 -2.771 -8.830
110 HG13 VAL 18 HG13 VAL 18 -5.570 -2.392 -8.731
111 HG21 VAL 18 HG21 VAL 18 -6.982 -4.932 -7.707
112 HG22 VAL 18 HG22 VAL 18 -6.215 -5.021 -6.122
113 HG23 VAL 18 HG23 VAL 18 -5.242 -4.675 -7.553
114 H CYS 19 H CYS 19 -3.815 -0.426 -6.356
115 HA CYS 19 HA CYS 19 -5.215 1.423 -4.756
116 HB2 CYS 19 HB2 CYS 19 -2.967 1.765 -6.728
117 HB3 CYS 19 HB3 CYS 19 -3.560 3.017 -5.650
118 H ALA 20 H ALA 20 -6.290 3.248 -5.377
119 HA ALA 20 HA ALA 20 -8.026 3.080 -7.571
120 HB1 ALA 20 HB1 ALA 20 -7.252 5.478 -5.911
121 HB2 ALA 20 HB2 ALA 20 -8.545 4.335 -5.539
122 HB3 ALA 20 HB3 ALA 20 -8.663 5.369 -6.964
123 H SER 21 H SER 21 -8.118 4.387 -9.434
124 HA SER 21 HA SER 21 -5.714 4.640 -10.843
125 HB2 SER 21 HB2 SER 21 -8.360 5.999 -11.389
126 HB3 SER 21 HB3 SER 21 -7.058 5.754 -12.556
127 HG SER 21 HG SER 21 -7.407 3.412 -11.692
128 H GLY 22 H GLY 22 -4.151 6.063 -10.704
129 HA2 GLY 22 HA2 GLY 22 -3.436 8.367 -10.786
130 HA3 GLY 22 HA3 GLY 22 -4.777 8.747 -9.713
131 H THR 23 H THR 23 -3.922 6.023 -8.371
132 HA THR 23 HA THR 23 -1.825 7.305 -6.800
133 HB THR 23 HB THR 23 -2.562 6.041 -4.860
134 HG1 THR 23 HG1 THR 23 -4.400 4.941 -6.726
135 HG21 THR 23 HG21 THR 23 -3.542 8.234 -5.195
136 HG22 THR 23 HG22 THR 23 -4.728 7.152 -4.467
137 HG23 THR 23 HG23 THR 23 -4.820 7.535 -6.187
138 H THR 24 H THR 24 -0.080 6.110 -6.206
139 HA THR 24 HA THR 24 0.223 3.601 -7.689
140 HB THR 24 HB THR 24 2.705 4.138 -7.639
141 HG1 THR 24 HG1 THR 24 1.671 6.499 -6.455
142 HG21 THR 24 HG21 THR 24 2.586 5.737 -9.499
143 HG22 THR 24 HG22 THR 24 0.918 6.113 -9.068
144 HG23 THR 24 HG23 THR 24 1.335 4.501 -9.648
145 H CYS 25 H CYS 25 0.830 1.793 -6.557
146 HA CYS 25 HA CYS 25 0.808 1.974 -3.710
147 HB2 CYS 25 HB2 CYS 25 -0.254 0.054 -4.749
148 HB3 CYS 25 HB3 CYS 25 1.223 -0.440 -5.542
149 H GLN 26 H GLN 26 2.498 2.805 -2.772
150 HA GLN 26 HA GLN 26 5.122 2.106 -3.803
151 HB2 GLN 26 HB2 GLN 26 4.225 4.382 -2.042
152 HB3 GLN 26 HB3 GLN 26 5.892 4.106 -2.521
153 HG2 GLN 26 HG2 GLN 26 5.198 4.315 -4.887
154 HG3 GLN 26 HG3 GLN 26 3.565 4.683 -4.354
155 HE21 GLN 26 HE21 GLN 26 3.543 6.629 -5.319
156 HE22 GLN 26 HE22 GLN 26 4.465 7.992 -4.782
157 H VAL 27 H VAL 27 6.061 0.566 -2.824
158 HA VAL 27 HA VAL 27 5.324 -0.279 -0.184
159 HB VAL 27 HB VAL 27 7.655 -1.207 -1.914
160 HG11 VAL 27 HG11 VAL 27 7.660 -3.212 -0.498
161 HG12 VAL 27 HG12 VAL 27 6.380 -2.512 0.492
162 HG13 VAL 27 HG13 VAL 27 7.971 -1.754 0.447
163 HG21 VAL 27 HG21 VAL 27 4.906 -2.411 -1.583
164 HG22 VAL 27 HG22 VAL 27 6.232 -3.111 -2.513
165 HG23 VAL 27 HG23 VAL 27 5.510 -1.582 -3.017
166 H LEU 28 H LEU 28 5.812 1.149 1.284
167 HA LEU 28 HA LEU 28 8.229 2.714 1.216
168 HB2 LEU 28 HB2 LEU 28 5.999 2.554 3.235
169 HB3 LEU 28 HB3 LEU 28 7.307 3.722 3.285
170 HG LEU 28 HG LEU 28 5.286 3.522 1.042
171 HD11 LEU 28 HD11 LEU 28 5.459 5.483 3.323
172 HD12 LEU 28 HD12 LEU 28 4.208 4.253 3.074
173 HD13 LEU 28 HD13 LEU 28 4.375 5.588 1.933
174 HD21 LEU 28 HD21 LEU 28 7.382 5.552 1.695
175 HD22 LEU 28 HD22 LEU 28 6.184 5.698 0.403
176 HD23 LEU 28 HD23 LEU 28 7.415 4.428 0.333
177 H ASN 29 H ASN 29 6.899 0.037 3.008
178 HA ASN 29 HA ASN 29 9.525 -0.612 4.010
179 HB2 ASN 29 HB2 ASN 29 7.070 -0.491 5.817
180 HB3 ASN 29 HB3 ASN 29 8.676 -1.018 6.278
181 HD21 ASN 29 HD21 ASN 29 6.629 1.698 5.687
182 HD22 ASN 29 HD22 ASN 29 7.682 2.916 6.296
183 HA PRO 30 HA PRO 30 8.338 -4.686 2.797
184 HB2 PRO 30 HB2 PRO 30 8.608 -5.665 5.603
185 HB3 PRO 30 HB3 PRO 30 9.341 -6.298 4.126
186 HG2 PRO 30 HG2 PRO 30 10.799 -4.893 5.834
187 HG3 PRO 30 HG3 PRO 30 10.991 -4.655 4.088
188 HD2 PRO 30 HD2 PRO 30 9.578 -2.955 6.092
189 HD3 PRO 30 HD3 PRO 30 10.563 -2.463 4.696
190 H TYR 31 H TYR 31 6.835 -3.734 5.884
191 HA TYR 31 HA TYR 31 4.519 -5.386 5.171
192 HB2 TYR 31 HB2 TYR 31 5.112 -4.011 7.819
193 HB3 TYR 31 HB3 TYR 31 3.844 -5.176 7.492
194 HD1 TYR 31 HD1 TYR 31 7.554 -4.823 7.649
195 HD2 TYR 31 HD2 TYR 31 4.241 -7.479 7.754
196 HE1 TYR 31 HE1 TYR 31 9.046 -6.627 8.280
197 HE2 TYR 31 HE2 TYR 31 5.735 -9.316 8.387
198 HH TYR 31 HH TYR 31 8.942 -8.739 9.342
199 H TYR 32 H TYR 32 5.591 -2.125 5.596
200 HA TYR 32 HA TYR 32 2.865 -1.177 5.294
201 HB2 TYR 32 HB2 TYR 32 4.249 -0.165 7.057
202 HB3 TYR 32 HB3 TYR 32 5.320 0.469 5.810
203 HD1 TYR 32 HD1 TYR 32 1.685 0.372 6.581
204 HD2 TYR 32 HD2 TYR 32 4.994 2.676 5.201
205 HE1 TYR 32 HE1 TYR 32 0.239 2.341 6.414
206 HE2 TYR 32 HE2 TYR 32 3.602 4.611 5.036
207 HH TYR 32 HH TYR 32 0.381 4.689 6.362
208 H SER 33 H SER 33 2.079 -0.841 3.347
209 HA SER 33 HA SER 33 3.792 0.411 1.313
210 HB2 SER 33 HB2 SER 33 1.646 -1.684 0.793
211 HB3 SER 33 HB3 SER 33 2.731 -0.971 -0.398
212 HG SER 33 HG SER 33 3.453 -3.044 0.273
213 H GLN 34 H GLN 34 2.682 2.117 0.213
214 HA GLN 34 HA GLN 34 -0.076 2.576 1.107
215 HB2 GLN 34 HB2 GLN 34 1.217 3.868 2.631
216 HB3 GLN 34 HB3 GLN 34 2.259 4.465 1.357
217 HG2 GLN 34 HG2 GLN 34 0.442 5.820 0.479
218 HG3 GLN 34 HG3 GLN 34 -0.647 5.146 1.688
219 HE21 GLN 34 HE21 GLN 34 -0.648 5.992 3.729
220 HE22 GLN 34 HE22 GLN 34 0.344 7.315 4.202
221 H CYS 35 H CYS 35 -1.439 3.371 -0.407
222 HA CYS 35 HA CYS 35 -0.510 3.716 -3.118
223 HB2 CYS 35 HB2 CYS 35 -3.256 4.328 -1.988
224 HB3 CYS 35 HB3 CYS 35 -2.813 4.257 -3.684
225 H LEU 36 H LEU 36 0.577 5.486 -3.572
226 HA LEU 36 HA LEU 36 -0.462 8.037 -2.595
227 HB2 LEU 36 HB2 LEU 36 2.333 7.229 -3.364
228 HB3 LEU 36 HB3 LEU 36 1.847 8.898 -3.137
229 HG LEU 36 HG LEU 36 1.677 6.783 -0.991
230 HD11 LEU 36 HD11 LEU 36 3.600 7.912 0.001
231 HD12 LEU 36 HD12 LEU 36 3.702 8.973 -1.407
232 HD13 LEU 36 HD13 LEU 36 4.000 7.242 -1.582
233 HD21 LEU 36 HD21 LEU 36 0.062 8.580 -0.712
234 HD22 LEU 36 HD22 LEU 36 1.336 9.779 -0.933
235 HD23 LEU 36 HD23 LEU 36 1.352 8.722 0.478
236 H1 MAN 101 H1 MAN 101 -8.398 5.978 2.638
237 H2 MAN 101 H2 MAN 101 -6.283 5.039 3.671
238 H3 MAN 101 H3 MAN 101 -6.738 2.659 3.402
239 H4 MAN 101 H4 MAN 101 -8.951 3.190 5.392
240 H5 MAN 101 H5 MAN 101 -9.072 2.416 2.405
241 H61 MAN 101 H61 MAN 101 -11.201 2.761 4.546
242 H62 MAN 101 H62 MAN 101 -10.936 1.337 3.514
243 HO2 MAN 101 HO2 MAN 101 -7.723 6.287 4.858
244 HO3 MAN 101 HO3 MAN 101 -6.847 3.597 6.071
245 HO4 MAN 101 HO4 MAN 101 -7.802 1.226 5.572
246 HO6 MAN 101 HO6 MAN 101 -11.352 3.845 2.302
Start of MODEL 9
1 H1 THR 1 H1 THR 1 -11.672 -0.071 -4.671
2 H2 THR 1 H2 THR 1 -10.830 -1.477 -4.245
3 H3 THR 1 H3 THR 1 -11.185 -1.165 -5.863
4 HA THR 1 HA THR 1 -8.914 -0.654 -5.392
5 HB THR 1 HB THR 1 -9.055 1.858 -5.951
6 HG1 THR 1 HG1 THR 1 -11.338 2.292 -6.741
7 HG21 THR 1 HG21 THR 1 -9.825 1.420 -8.235
8 HG22 THR 1 HG22 THR 1 -10.536 -0.105 -7.716
9 HG23 THR 1 HG23 THR 1 -8.782 0.117 -7.668
10 H GLN 2 H GLN 2 -7.438 0.039 -4.008
11 HA GLN 2 HA GLN 2 -8.240 0.813 -1.395
12 HB2 GLN 2 HB2 GLN 2 -6.389 -0.761 -1.742
13 HB3 GLN 2 HB3 GLN 2 -5.488 0.459 -2.625
14 HG2 GLN 2 HG2 GLN 2 -4.697 0.200 -0.334
15 HG3 GLN 2 HG3 GLN 2 -5.319 1.815 -0.654
16 HE21 GLN 2 HE21 GLN 2 -5.877 2.322 1.206
17 HE22 GLN 2 HE22 GLN 2 -7.085 1.608 2.249
18 H SER 3 H SER 3 -7.869 2.780 -0.373
19 HA SER 3 HA SER 3 -8.126 5.009 -2.106
20 HB2 SER 3 HB2 SER 3 -8.605 6.214 -0.044
21 HB3 SER 3 HB3 SER 3 -9.520 4.705 -0.094
22 H HIS 4 H HIS 4 -7.055 6.961 -1.531
23 HA HIS 4 HA HIS 4 -4.219 6.791 -1.903
24 HB2 HIS 4 HB2 HIS 4 -5.773 8.519 -2.939
25 HB3 HIS 4 HB3 HIS 4 -5.910 9.251 -1.356
26 HD1 HIS 4 HD1 HIS 4 -4.849 11.475 -2.106
27 HD2 HIS 4 HD2 HIS 4 -2.419 8.182 -2.774
28 HE1 HIS 4 HE1 HIS 4 -2.638 12.404 -2.802
29 HE2 HIS 4 HE2 HIS 4 -1.379 10.378 -3.587
30 H TYR 5 H TYR 5 -2.702 6.894 -0.331
31 HA TYR 5 HA TYR 5 -1.673 7.053 1.602
32 HB2 TYR 5 HB2 TYR 5 -3.929 8.875 2.261
33 HB3 TYR 5 HB3 TYR 5 -2.815 8.401 3.546
34 HD1 TYR 5 HD1 TYR 5 -3.124 10.165 0.322
35 HD2 TYR 5 HD2 TYR 5 -0.611 9.256 3.613
36 HE1 TYR 5 HE1 TYR 5 -1.520 11.850 -0.443
37 HE2 TYR 5 HE2 TYR 5 0.991 10.932 2.875
38 HH TYR 5 HH TYR 5 0.274 13.218 0.454
39 H GLY 6 H GLY 6 -3.842 5.134 0.940
40 HA2 GLY 6 HA2 GLY 6 -4.229 4.017 3.607
41 HA3 GLY 6 HA3 GLY 6 -5.039 3.561 2.122
42 H GLN 7 H GLN 7 -3.814 1.671 3.777
43 HA GLN 7 HA GLN 7 -1.186 1.061 2.804
44 HB2 GLN 7 HB2 GLN 7 -2.125 0.485 5.084
45 HB3 GLN 7 HB3 GLN 7 -3.082 -0.756 4.288
46 HG2 GLN 7 HG2 GLN 7 -1.069 -1.891 3.585
47 HG3 GLN 7 HG3 GLN 7 -0.062 -0.629 4.291
48 HE21 GLN 7 HE21 GLN 7 0.083 -3.356 4.997
49 HE22 GLN 7 HE22 GLN 7 -0.418 -3.502 6.628
50 H CYS 8 H CYS 8 -0.699 -0.122 1.034
51 HA CYS 8 HA CYS 8 -2.994 -1.246 -0.444
52 HB2 CYS 8 HB2 CYS 8 -1.694 -0.879 -2.452
53 HB3 CYS 8 HB3 CYS 8 -1.986 0.600 -1.545
54 H GLY 9 H GLY 9 -0.508 -2.485 1.332
55 HA2 GLY 9 HA2 GLY 9 -0.763 -5.080 0.818
56 HA3 GLY 9 HA3 GLY 9 -0.056 -4.557 -0.689
57 H GLY 10 H GLY 10 0.504 -4.411 2.758
58 HA2 GLY 10 HA2 GLY 10 3.349 -4.782 2.193
59 HA3 GLY 10 HA3 GLY 10 2.662 -4.321 3.758
60 H ILE 11 H ILE 11 4.356 -6.444 3.730
61 HA ILE 11 HA ILE 11 3.173 -8.959 3.347
62 HB ILE 11 HB ILE 11 5.168 -8.215 5.521
63 HG12 ILE 11 HG12 ILE 11 5.727 -9.265 2.739
64 HG13 ILE 11 HG13 ILE 11 5.898 -7.579 3.216
65 HG21 ILE 11 HG21 ILE 11 4.141 -10.403 5.889
66 HG22 ILE 11 HG22 ILE 11 5.836 -10.580 5.432
67 HG23 ILE 11 HG23 ILE 11 4.569 -10.894 4.248
68 HD11 ILE 11 HD11 ILE 11 7.626 -8.200 4.816
69 HD12 ILE 11 HD12 ILE 11 8.048 -8.725 3.187
70 HD13 ILE 11 HD13 ILE 11 7.439 -9.893 4.366
71 H GLY 12 H GLY 12 1.485 -9.869 4.322
72 HA2 GLY 12 HA2 GLY 12 0.377 -10.607 6.316
73 HA3 GLY 12 HA3 GLY 12 0.854 -9.100 7.090
74 H TYR 13 H TYR 13 0.099 -7.615 4.610
75 HA TYR 13 HA TYR 13 -2.671 -7.266 5.367
76 HB2 TYR 13 HB2 TYR 13 -1.193 -5.298 5.067
77 HB3 TYR 13 HB3 TYR 13 -0.973 -5.733 3.382
78 HD1 TYR 13 HD1 TYR 13 -2.316 -4.687 1.803
79 HD2 TYR 13 HD2 TYR 13 -3.700 -4.899 5.802
80 HE1 TYR 13 HE1 TYR 13 -4.227 -3.256 1.201
81 HE2 TYR 13 HE2 TYR 13 -5.629 -3.460 5.202
82 HH TYR 13 HH TYR 13 -6.213 -2.545 1.863
83 H SER 14 H SER 14 -4.161 -8.406 4.441
84 HA SER 14 HA SER 14 -3.788 -9.319 1.677
85 HB2 SER 14 HB2 SER 14 -5.387 -10.577 3.920
86 HB3 SER 14 HB3 SER 14 -5.155 -11.247 2.303
87 HG SER 14 HG SER 14 -2.889 -11.216 2.757
88 H GLY 15 H GLY 15 -5.041 -6.867 2.988
89 HA2 GLY 15 HA2 GLY 15 -7.844 -7.027 2.275
90 HA3 GLY 15 HA3 GLY 15 -6.972 -5.609 2.831
91 HA PRO 16 HA PRO 16 -7.832 -4.831 -1.662
92 HB2 PRO 16 HB2 PRO 16 -7.763 -2.098 -0.467
93 HB3 PRO 16 HB3 PRO 16 -8.901 -2.770 -1.641
94 HG2 PRO 16 HG2 PRO 16 -9.657 -2.439 0.876
95 HG3 PRO 16 HG3 PRO 16 -10.111 -3.912 0.000
96 HD2 PRO 16 HD2 PRO 16 -7.936 -3.528 2.033
97 HD3 PRO 16 HD3 PRO 16 -9.077 -4.868 1.857
98 H THR 17 H THR 17 -5.958 -5.060 -2.727
99 HA THR 17 HA THR 17 -3.595 -3.549 -1.855
100 HB THR 17 HB THR 17 -2.424 -5.362 -3.229
101 HG1 THR 17 HG1 THR 17 -3.840 -6.522 -4.281
102 HG21 THR 17 HG21 THR 17 -3.940 -6.173 -0.736
103 HG22 THR 17 HG22 THR 17 -2.411 -5.298 -0.768
104 HG23 THR 17 HG23 THR 17 -2.486 -6.961 -1.358
105 H VAL 18 H VAL 18 -5.941 -3.348 -4.101
106 HA VAL 18 HA VAL 18 -4.095 -2.451 -6.205
107 HB VAL 18 HB VAL 18 -7.064 -3.047 -6.471
108 HG11 VAL 18 HG11 VAL 18 -6.662 -2.929 -8.887
109 HG12 VAL 18 HG12 VAL 18 -4.981 -2.498 -8.586
110 HG13 VAL 18 HG13 VAL 18 -6.270 -1.404 -8.092
111 HG21 VAL 18 HG21 VAL 18 -6.398 -5.081 -7.662
112 HG22 VAL 18 HG22 VAL 18 -5.795 -5.088 -6.007
113 HG23 VAL 18 HG23 VAL 18 -4.702 -4.719 -7.340
114 H CYS 19 H CYS 19 -3.724 -0.357 -6.057
115 HA CYS 19 HA CYS 19 -5.311 1.404 -4.542
116 HB2 CYS 19 HB2 CYS 19 -3.076 1.943 -6.487
117 HB3 CYS 19 HB3 CYS 19 -3.743 3.089 -5.336
118 H ALA 20 H ALA 20 -6.284 3.337 -5.254
119 HA ALA 20 HA ALA 20 -8.111 3.087 -7.378
120 HB1 ALA 20 HB1 ALA 20 -8.531 4.445 -5.384
121 HB2 ALA 20 HB2 ALA 20 -8.689 5.412 -6.852
122 HB3 ALA 20 HB3 ALA 20 -7.240 5.545 -5.857
123 H SER 21 H SER 21 -8.295 4.576 -9.211
124 HA SER 21 HA SER 21 -5.989 4.478 -10.793
125 HB2 SER 21 HB2 SER 21 -8.540 6.041 -11.227
126 HB3 SER 21 HB3 SER 21 -7.367 5.577 -12.465
127 HG SER 21 HG SER 21 -8.015 3.383 -11.161
128 H GLY 22 H GLY 22 -4.306 5.755 -10.728
129 HA2 GLY 22 HA2 GLY 22 -3.423 7.981 -11.055
130 HA3 GLY 22 HA3 GLY 22 -4.674 8.570 -9.968
131 H THR 23 H THR 23 -4.036 5.949 -8.375
132 HA THR 23 HA THR 23 -1.784 7.172 -6.961
133 HB THR 23 HB THR 23 -2.518 5.926 -4.968
134 HG1 THR 23 HG1 THR 23 -4.449 4.948 -6.782
135 HG21 THR 23 HG21 THR 23 -4.550 7.225 -4.502
136 HG22 THR 23 HG22 THR 23 -4.670 7.611 -6.218
137 HG23 THR 23 HG23 THR 23 -3.296 8.195 -5.274
138 H THR 24 H THR 24 -0.063 5.945 -6.343
139 HA THR 24 HA THR 24 0.129 3.345 -7.679
140 HB THR 24 HB THR 24 2.654 3.758 -7.493
141 HG1 THR 24 HG1 THR 24 1.687 6.185 -6.484
142 HG21 THR 24 HG21 THR 24 0.997 5.566 -9.246
143 HG22 THR 24 HG22 THR 24 1.488 3.909 -9.608
144 HG23 THR 24 HG23 THR 24 2.698 5.184 -9.500
145 H CYS 25 H CYS 25 0.657 1.568 -6.503
146 HA CYS 25 HA CYS 25 0.619 1.811 -3.654
147 HB2 CYS 25 HB2 CYS 25 -0.439 -0.136 -4.666
148 HB3 CYS 25 HB3 CYS 25 1.066 -0.642 -5.409
149 H GLN 26 H GLN 26 2.329 2.740 -2.802
150 HA GLN 26 HA GLN 26 4.932 1.976 -3.812
151 HB2 GLN 26 HB2 GLN 26 4.052 4.303 -2.128
152 HB3 GLN 26 HB3 GLN 26 5.725 3.991 -2.561
153 HG2 GLN 26 HG2 GLN 26 5.088 4.142 -4.953
154 HG3 GLN 26 HG3 GLN 26 3.445 4.532 -4.461
155 HE21 GLN 26 HE21 GLN 26 3.474 6.478 -5.471
156 HE22 GLN 26 HE22 GLN 26 4.379 7.830 -4.886
157 H VAL 27 H VAL 27 5.817 0.388 -2.853
158 HA VAL 27 HA VAL 27 5.248 -0.366 -0.168
159 HB VAL 27 HB VAL 27 7.511 -1.266 -1.992
160 HG11 VAL 27 HG11 VAL 27 7.642 -3.243 -0.549
161 HG12 VAL 27 HG12 VAL 27 6.393 -2.560 0.491
162 HG13 VAL 27 HG13 VAL 27 7.956 -1.761 0.361
163 HG21 VAL 27 HG21 VAL 27 5.341 -1.731 -3.000
164 HG22 VAL 27 HG22 VAL 27 4.802 -2.509 -1.516
165 HG23 VAL 27 HG23 VAL 27 6.104 -3.230 -2.466
166 H LEU 28 H LEU 28 5.807 1.047 1.281
167 HA LEU 28 HA LEU 28 8.179 2.685 1.031
168 HB2 LEU 28 HB2 LEU 28 6.060 2.542 3.176
169 HB3 LEU 28 HB3 LEU 28 7.340 3.740 3.105
170 HG LEU 28 HG LEU 28 5.167 3.426 1.020
171 HD11 LEU 28 HD11 LEU 28 4.251 4.219 3.115
172 HD12 LEU 28 HD12 LEU 28 4.291 5.509 1.910
173 HD13 LEU 28 HD13 LEU 28 5.491 5.475 3.203
174 HD21 LEU 28 HD21 LEU 28 7.265 5.507 1.447
175 HD22 LEU 28 HD22 LEU 28 5.971 5.588 0.245
176 HD23 LEU 28 HD23 LEU 28 7.223 4.339 0.118
177 H ASN 29 H ASN 29 6.925 0.086 2.981
178 HA ASN 29 HA ASN 29 9.590 -0.512 3.981
179 HB2 ASN 29 HB2 ASN 29 7.078 -0.377 5.700
180 HB3 ASN 29 HB3 ASN 29 8.647 -0.948 6.226
181 HD21 ASN 29 HD21 ASN 29 6.725 1.837 5.490
182 HD22 ASN 29 HD22 ASN 29 7.796 3.010 6.134
183 HA PRO 30 HA PRO 30 8.362 -4.646 2.890
184 HB2 PRO 30 HB2 PRO 30 8.661 -5.553 5.714
185 HB3 PRO 30 HB3 PRO 30 9.370 -6.219 4.241
186 HG2 PRO 30 HG2 PRO 30 10.864 -4.786 5.892
187 HG3 PRO 30 HG3 PRO 30 11.016 -4.575 4.137
188 HD2 PRO 30 HD2 PRO 30 9.626 -2.844 6.139
189 HD3 PRO 30 HD3 PRO 30 10.610 -2.374 4.737
190 H TYR 31 H TYR 31 6.851 -3.544 5.924
191 HA TYR 31 HA TYR 31 4.525 -5.209 5.235
192 HB2 TYR 31 HB2 TYR 31 5.118 -3.896 7.909
193 HB3 TYR 31 HB3 TYR 31 3.875 -5.085 7.556
194 HD1 TYR 31 HD1 TYR 31 4.410 -7.425 7.325
195 HD2 TYR 31 HD2 TYR 31 7.487 -4.589 8.066
196 HE1 TYR 31 HE1 TYR 31 5.982 -9.251 7.817
197 HE2 TYR 31 HE2 TYR 31 9.054 -6.390 8.556
198 HH TYR 31 HH TYR 31 8.429 -9.584 7.742
199 H TYR 32 H TYR 32 5.630 -1.979 5.682
200 HA TYR 32 HA TYR 32 2.912 -1.006 5.439
201 HB2 TYR 32 HB2 TYR 32 4.398 0.015 7.132
202 HB3 TYR 32 HB3 TYR 32 5.403 0.617 5.823
203 HD1 TYR 32 HD1 TYR 32 1.774 0.551 6.646
204 HD2 TYR 32 HD2 TYR 32 5.103 2.826 5.251
205 HE1 TYR 32 HE1 TYR 32 0.354 2.535 6.485
206 HE2 TYR 32 HE2 TYR 32 3.714 4.789 5.095
207 HH TYR 32 HH TYR 32 0.647 4.940 6.524
208 H SER 33 H SER 33 2.107 -0.743 3.500
209 HA SER 33 HA SER 33 3.775 0.491 1.425
210 HB2 SER 33 HB2 SER 33 1.682 -1.669 0.979
211 HB3 SER 33 HB3 SER 33 2.703 -0.933 -0.256
212 HG SER 33 HG SER 33 3.409 -3.043 0.576
213 H GLN 34 H GLN 34 2.646 2.139 0.312
214 HA GLN 34 HA GLN 34 -0.102 2.598 1.204
215 HB2 GLN 34 HB2 GLN 34 1.142 3.886 2.749
216 HB3 GLN 34 HB3 GLN 34 2.237 4.464 1.510
217 HG2 GLN 34 HG2 GLN 34 0.520 5.885 0.598
218 HG3 GLN 34 HG3 GLN 34 -0.667 5.198 1.702
219 HE21 GLN 34 HE21 GLN 34 -0.807 5.962 3.751
220 HE22 GLN 34 HE22 GLN 34 0.162 7.233 4.369
221 H CYS 35 H CYS 35 -1.446 3.436 -0.277
222 HA CYS 35 HA CYS 35 -0.570 3.711 -3.003
223 HB2 CYS 35 HB2 CYS 35 -3.241 4.448 -1.794
224 HB3 CYS 35 HB3 CYS 35 -2.864 4.346 -3.507
225 H LEU 36 H LEU 36 0.496 5.405 -3.621
226 HA LEU 36 HA LEU 36 -0.341 8.033 -2.677
227 HB2 LEU 36 HB2 LEU 36 2.432 7.046 -3.331
228 HB3 LEU 36 HB3 LEU 36 2.026 8.731 -3.081
229 HG LEU 36 HG LEU 36 1.714 6.566 -1.006
230 HD11 LEU 36 HD11 LEU 36 4.064 7.006 -1.484
231 HD12 LEU 36 HD12 LEU 36 3.605 7.628 0.103
232 HD13 LEU 36 HD13 LEU 36 3.789 8.734 -1.257
233 HD21 LEU 36 HD21 LEU 36 1.408 9.559 -0.847
234 HD22 LEU 36 HD22 LEU 36 1.350 8.447 0.520
235 HD23 LEU 36 HD23 LEU 36 0.113 8.367 -0.725
236 H1 MAN 101 H1 MAN 101 -9.000 6.202 2.213
237 H2 MAN 101 H2 MAN 101 -6.864 5.771 3.374
238 H3 MAN 101 H3 MAN 101 -6.786 3.384 2.818
239 H4 MAN 101 H4 MAN 101 -8.949 3.158 4.911
240 H5 MAN 101 H5 MAN 101 -8.998 2.452 1.937
241 H61 MAN 101 H61 MAN 101 -10.501 1.183 3.484
242 H62 MAN 101 H62 MAN 101 -11.372 2.127 2.260
243 HO2 MAN 101 HO2 MAN 101 -9.240 5.022 4.800
244 HO3 MAN 101 HO3 MAN 101 -6.839 3.980 5.603
245 HO4 MAN 101 HO4 MAN 101 -7.338 1.520 4.881
246 HO6 MAN 101 HO6 MAN 101 -11.657 3.771 3.796
Start of MODEL 10
1 H1 THR 1 H1 THR 1 -11.926 -0.275 -4.160
2 H2 THR 1 H2 THR 1 -11.298 -1.872 -4.021
3 H3 THR 1 H3 THR 1 -11.753 -1.206 -5.528
4 HA THR 1 HA THR 1 -9.347 -1.203 -5.189
5 HB THR 1 HB THR 1 -10.325 1.557 -5.515
6 HG1 THR 1 HG1 THR 1 -11.220 0.424 -7.671
7 HG21 THR 1 HG21 THR 1 -8.874 -0.412 -7.293
8 HG22 THR 1 HG22 THR 1 -8.123 0.849 -6.315
9 HG23 THR 1 HG23 THR 1 -9.158 1.280 -7.680
10 H GLN 2 H GLN 2 -7.625 -0.143 -4.059
11 HA GLN 2 HA GLN 2 -8.304 0.507 -1.359
12 HB2 GLN 2 HB2 GLN 2 -6.331 -0.882 -1.914
13 HB3 GLN 2 HB3 GLN 2 -5.640 0.486 -2.772
14 HG2 GLN 2 HG2 GLN 2 -4.693 0.180 -0.500
15 HG3 GLN 2 HG3 GLN 2 -5.465 1.744 -0.747
16 HE21 GLN 2 HE21 GLN 2 -6.050 2.167 1.207
17 HE22 GLN 2 HE22 GLN 2 -7.174 1.254 2.176
18 H SER 3 H SER 3 -8.002 2.490 -0.296
19 HA SER 3 HA SER 3 -8.438 4.739 -1.978
20 HB2 SER 3 HB2 SER 3 -8.834 5.917 0.120
21 HB3 SER 3 HB3 SER 3 -9.747 4.408 0.067
22 H HIS 4 H HIS 4 -7.378 6.722 -1.454
23 HA HIS 4 HA HIS 4 -4.534 6.594 -1.940
24 HB2 HIS 4 HB2 HIS 4 -6.251 8.358 -2.812
25 HB3 HIS 4 HB3 HIS 4 -6.079 9.102 -1.239
26 HD1 HIS 4 HD1 HIS 4 -5.298 11.018 -3.203
27 HD2 HIS 4 HD2 HIS 4 -2.612 8.053 -2.125
28 HE1 HIS 4 HE1 HIS 4 -3.071 11.801 -4.019
29 HE2 HIS 4 HE2 HIS 4 -1.644 9.770 -3.761
30 H TYR 5 H TYR 5 -2.885 6.920 -0.469
31 HA TYR 5 HA TYR 5 -1.789 7.117 1.405
32 HB2 TYR 5 HB2 TYR 5 -4.207 8.627 2.317
33 HB3 TYR 5 HB3 TYR 5 -2.890 8.284 3.438
34 HD1 TYR 5 HD1 TYR 5 -0.891 9.531 3.374
35 HD2 TYR 5 HD2 TYR 5 -3.751 10.002 0.272
36 HE1 TYR 5 HE1 TYR 5 0.355 11.463 2.531
37 HE2 TYR 5 HE2 TYR 5 -2.518 11.934 -0.582
38 HH TYR 5 HH TYR 5 -0.956 13.615 0.283
39 H GLY 6 H GLY 6 -4.147 5.131 0.898
40 HA2 GLY 6 HA2 GLY 6 -4.283 3.920 3.519
41 HA3 GLY 6 HA3 GLY 6 -5.066 3.367 2.052
42 H GLN 7 H GLN 7 -3.728 1.605 3.693
43 HA GLN 7 HA GLN 7 -1.063 1.218 2.700
44 HB2 GLN 7 HB2 GLN 7 -1.763 0.692 5.049
45 HB3 GLN 7 HB3 GLN 7 -2.789 -0.590 4.406
46 HG2 GLN 7 HG2 GLN 7 -0.837 -1.772 3.605
47 HG3 GLN 7 HG3 GLN 7 0.204 -0.459 4.156
48 HE21 GLN 7 HE21 GLN 7 0.312 -3.196 4.969
49 HE22 GLN 7 HE22 GLN 7 -0.017 -3.262 6.652
50 H CYS 8 H CYS 8 -0.635 0.184 0.863
51 HA CYS 8 HA CYS 8 -2.871 -1.155 -0.474
52 HB2 CYS 8 HB2 CYS 8 -1.531 -0.912 -2.516
53 HB3 CYS 8 HB3 CYS 8 -1.932 0.613 -1.741
54 H GLY 9 H GLY 9 -0.763 -2.381 1.474
55 HA2 GLY 9 HA2 GLY 9 -0.913 -4.900 1.273
56 HA3 GLY 9 HA3 GLY 9 -0.318 -4.656 -0.355
57 H GLY 10 H GLY 10 0.441 -4.528 2.996
58 HA2 GLY 10 HA2 GLY 10 3.276 -4.781 2.310
59 HA3 GLY 10 HA3 GLY 10 2.634 -4.461 3.930
60 H ILE 11 H ILE 11 4.312 -6.502 3.914
61 HA ILE 11 HA ILE 11 3.138 -9.007 3.382
62 HB ILE 11 HB ILE 11 5.204 -8.284 5.495
63 HG12 ILE 11 HG12 ILE 11 5.579 -9.437 2.719
64 HG13 ILE 11 HG13 ILE 11 5.888 -7.766 3.178
65 HG21 ILE 11 HG21 ILE 11 5.801 -10.679 5.469
66 HG22 ILE 11 HG22 ILE 11 4.424 -10.991 4.405
67 HG23 ILE 11 HG23 ILE 11 4.157 -10.395 6.041
68 HD11 ILE 11 HD11 ILE 11 7.653 -8.508 4.690
69 HD12 ILE 11 HD12 ILE 11 7.949 -9.056 3.041
70 HD13 ILE 11 HD13 ILE 11 7.329 -10.184 4.248
71 H GLY 12 H GLY 12 1.296 -9.708 4.219
72 HA2 GLY 12 HA2 GLY 12 0.238 -10.645 6.183
73 HA3 GLY 12 HA3 GLY 12 0.778 -9.231 7.074
74 H TYR 13 H TYR 13 -0.031 -7.799 4.396
75 HA TYR 13 HA TYR 13 -2.673 -7.122 5.433
76 HB2 TYR 13 HB2 TYR 13 -1.078 -5.319 4.808
77 HB3 TYR 13 HB3 TYR 13 -1.091 -5.901 3.154
78 HD1 TYR 13 HD1 TYR 13 -3.156 -4.291 5.775
79 HD2 TYR 13 HD2 TYR 13 -2.820 -5.198 1.629
80 HE1 TYR 13 HE1 TYR 13 -4.991 -2.724 5.277
81 HE2 TYR 13 HE2 TYR 13 -4.643 -3.652 1.131
82 HH TYR 13 HH TYR 13 -6.285 -2.403 2.010
83 H SER 14 H SER 14 -4.335 -8.277 4.752
84 HA SER 14 HA SER 14 -4.168 -9.715 2.221
85 HB2 SER 14 HB2 SER 14 -6.099 -9.965 4.523
86 HB3 SER 14 HB3 SER 14 -6.010 -11.037 3.121
87 HG SER 14 HG SER 14 -3.594 -10.917 4.062
88 H GLY 15 H GLY 15 -5.354 -6.848 3.309
89 HA2 GLY 15 HA2 GLY 15 -7.942 -6.815 2.082
90 HA3 GLY 15 HA3 GLY 15 -7.072 -5.436 2.722
91 HA PRO 16 HA PRO 16 -7.472 -4.993 -1.869
92 HB2 PRO 16 HB2 PRO 16 -7.733 -2.165 -0.979
93 HB3 PRO 16 HB3 PRO 16 -8.702 -3.059 -2.159
94 HG2 PRO 16 HG2 PRO 16 -9.683 -2.525 0.240
95 HG3 PRO 16 HG3 PRO 16 -9.954 -4.112 -0.508
96 HD2 PRO 16 HD2 PRO 16 -7.982 -3.343 1.619
97 HD3 PRO 16 HD3 PRO 16 -9.033 -4.768 1.519
98 H THR 17 H THR 17 -5.651 -4.911 -2.961
99 HA THR 17 HA THR 17 -3.376 -3.394 -1.905
100 HB THR 17 HB THR 17 -2.083 -4.930 -3.456
101 HG1 THR 17 HG1 THR 17 -3.393 -5.940 -4.771
102 HG21 THR 17 HG21 THR 17 -3.679 -6.228 -1.229
103 HG22 THR 17 HG22 THR 17 -2.205 -5.293 -1.014
104 HG23 THR 17 HG23 THR 17 -2.153 -6.823 -1.889
105 H VAL 18 H VAL 18 -5.658 -3.497 -4.352
106 HA VAL 18 HA VAL 18 -3.990 -2.267 -6.397
107 HB VAL 18 HB VAL 18 -6.992 -2.753 -6.461
108 HG11 VAL 18 HG11 VAL 18 -5.063 -2.131 -8.694
109 HG12 VAL 18 HG12 VAL 18 -6.290 -1.049 -8.039
110 HG13 VAL 18 HG13 VAL 18 -6.772 -2.514 -8.893
111 HG21 VAL 18 HG21 VAL 18 -4.784 -4.445 -7.639
112 HG22 VAL 18 HG22 VAL 18 -6.514 -4.730 -7.827
113 HG23 VAL 18 HG23 VAL 18 -5.760 -4.874 -6.238
114 H CYS 19 H CYS 19 -3.541 -0.193 -6.064
115 HA CYS 19 HA CYS 19 -5.121 1.528 -4.496
116 HB2 CYS 19 HB2 CYS 19 -2.906 2.075 -6.453
117 HB3 CYS 19 HB3 CYS 19 -3.595 3.256 -5.349
118 H ALA 20 H ALA 20 -6.462 3.177 -5.065
119 HA ALA 20 HA ALA 20 -8.066 2.985 -7.315
120 HB1 ALA 20 HB1 ALA 20 -7.469 5.439 -5.658
121 HB2 ALA 20 HB2 ALA 20 -8.697 4.226 -5.297
122 HB3 ALA 20 HB3 ALA 20 -8.849 5.233 -6.738
123 H SER 21 H SER 21 -7.921 3.695 -9.303
124 HA SER 21 HA SER 21 -5.572 4.214 -10.570
125 HB2 SER 21 HB2 SER 21 -8.316 5.167 -11.401
126 HB3 SER 21 HB3 SER 21 -6.934 4.915 -12.477
127 HG SER 21 HG SER 21 -6.915 2.728 -11.661
128 H GLY 22 H GLY 22 -4.259 5.849 -10.868
129 HA2 GLY 22 HA2 GLY 22 -3.812 8.187 -11.119
130 HA3 GLY 22 HA3 GLY 22 -5.081 8.504 -9.938
131 H THR 23 H THR 23 -4.010 6.051 -8.405
132 HA THR 23 HA THR 23 -1.770 7.496 -7.193
133 HB THR 23 HB THR 23 -2.360 6.468 -5.029
134 HG1 THR 23 HG1 THR 23 -4.495 5.292 -6.510
135 HG21 THR 23 HG21 THR 23 -4.495 7.613 -4.639
136 HG22 THR 23 HG22 THR 23 -4.710 7.774 -6.385
137 HG23 THR 23 HG23 THR 23 -3.381 8.602 -5.581
138 H THR 24 H THR 24 -0.037 6.220 -6.338
139 HA THR 24 HA THR 24 0.195 3.671 -7.748
140 HB THR 24 HB THR 24 2.684 4.108 -7.619
141 HG1 THR 24 HG1 THR 24 1.731 6.421 -6.393
142 HG21 THR 24 HG21 THR 24 1.445 4.451 -9.691
143 HG22 THR 24 HG22 THR 24 2.688 5.692 -9.506
144 HG23 THR 24 HG23 THR 24 1.001 6.076 -9.167
145 H CYS 25 H CYS 25 0.859 1.891 -6.616
146 HA CYS 25 HA CYS 25 0.791 2.106 -3.743
147 HB2 CYS 25 HB2 CYS 25 -0.375 0.250 -4.711
148 HB3 CYS 25 HB3 CYS 25 1.058 -0.307 -5.567
149 H GLN 26 H GLN 26 2.533 2.722 -2.763
150 HA GLN 26 HA GLN 26 5.101 1.930 -3.883
151 HB2 GLN 26 HB2 GLN 26 4.356 4.229 -2.081
152 HB3 GLN 26 HB3 GLN 26 5.989 3.870 -2.627
153 HG2 GLN 26 HG2 GLN 26 5.348 4.241 -4.927
154 HG3 GLN 26 HG3 GLN 26 3.670 4.466 -4.450
155 HE21 GLN 26 HE21 GLN 26 3.564 6.454 -5.342
156 HE22 GLN 26 HE22 GLN 26 4.335 7.842 -4.660
157 H VAL 27 H VAL 27 5.947 0.280 -2.900
158 HA VAL 27 HA VAL 27 5.246 -0.444 -0.213
159 HB VAL 27 HB VAL 27 7.406 -1.609 -2.022
160 HG11 VAL 27 HG11 VAL 27 7.328 -3.571 -0.545
161 HG12 VAL 27 HG12 VAL 27 6.154 -2.753 0.481
162 HG13 VAL 27 HG13 VAL 27 7.789 -2.121 0.349
163 HG21 VAL 27 HG21 VAL 27 4.588 -2.571 -1.519
164 HG22 VAL 27 HG22 VAL 27 5.801 -3.407 -2.488
165 HG23 VAL 27 HG23 VAL 27 5.181 -1.839 -3.009
166 H LEU 28 H LEU 28 5.909 0.963 1.183
167 HA LEU 28 HA LEU 28 8.367 2.442 0.934
168 HB2 LEU 28 HB2 LEU 28 6.293 2.391 3.125
169 HB3 LEU 28 HB3 LEU 28 7.585 3.564 2.975
170 HG LEU 28 HG LEU 28 5.357 3.223 0.956
171 HD11 LEU 28 HD11 LEU 28 4.502 5.337 1.820
172 HD12 LEU 28 HD12 LEU 28 5.725 5.318 3.093
173 HD13 LEU 28 HD13 LEU 28 4.468 4.076 3.047
174 HD21 LEU 28 HD21 LEU 28 7.392 4.100 -0.009
175 HD22 LEU 28 HD22 LEU 28 7.482 5.289 1.298
176 HD23 LEU 28 HD23 LEU 28 6.165 5.373 0.122
177 H ASN 29 H ASN 29 7.066 -0.140 2.882
178 HA ASN 29 HA ASN 29 9.705 -0.793 3.922
179 HB2 ASN 29 HB2 ASN 29 7.202 -0.500 5.629
180 HB3 ASN 29 HB3 ASN 29 8.744 -1.109 6.197
181 HD21 ASN 29 HD21 ASN 29 6.924 1.664 5.309
182 HD22 ASN 29 HD22 ASN 29 7.990 2.853 5.938
183 HA PRO 30 HA PRO 30 8.283 -4.891 2.982
184 HB2 PRO 30 HB2 PRO 30 8.427 -5.758 5.810
185 HB3 PRO 30 HB3 PRO 30 9.188 -6.470 4.384
186 HG2 PRO 30 HG2 PRO 30 10.632 -5.073 6.127
187 HG3 PRO 30 HG3 PRO 30 10.930 -4.934 4.386
188 HD2 PRO 30 HD2 PRO 30 9.523 -3.053 6.226
189 HD3 PRO 30 HD3 PRO 30 10.594 -2.700 4.852
190 H TYR 31 H TYR 31 6.775 -3.593 5.931
191 HA TYR 31 HA TYR 31 4.383 -5.175 5.257
192 HB2 TYR 31 HB2 TYR 31 4.948 -3.797 7.893
193 HB3 TYR 31 HB3 TYR 31 3.717 -4.995 7.549
194 HD1 TYR 31 HD1 TYR 31 4.272 -7.356 7.455
195 HD2 TYR 31 HD2 TYR 31 7.298 -4.462 8.151
196 HE1 TYR 31 HE1 TYR 31 5.823 -9.141 8.137
197 HE2 TYR 31 HE2 TYR 31 8.846 -6.223 8.827
198 HH TYR 31 HH TYR 31 8.749 -8.455 9.696
199 H TYR 32 H TYR 32 5.624 -1.977 5.669
200 HA TYR 32 HA TYR 32 2.964 -0.870 5.392
201 HB2 TYR 32 HB2 TYR 32 4.445 0.056 7.121
202 HB3 TYR 32 HB3 TYR 32 5.543 0.601 5.858
203 HD1 TYR 32 HD1 TYR 32 5.387 2.840 5.272
204 HD2 TYR 32 HD2 TYR 32 1.904 0.782 6.624
205 HE1 TYR 32 HE1 TYR 32 4.122 4.906 5.130
206 HE2 TYR 32 HE2 TYR 32 0.619 2.853 6.471
207 HH TYR 32 HH TYR 32 1.329 5.378 6.653
208 H SER 33 H SER 33 2.173 -0.512 3.476
209 HA SER 33 HA SER 33 3.895 0.599 1.390
210 HB2 SER 33 HB2 SER 33 1.706 -1.472 0.978
211 HB3 SER 33 HB3 SER 33 2.764 -0.804 -0.265
212 HG SER 33 HG SER 33 3.325 -2.953 0.650
213 H GLN 34 H GLN 34 2.760 2.251 0.231
214 HA GLN 34 HA GLN 34 0.033 2.745 1.156
215 HB2 GLN 34 HB2 GLN 34 1.304 4.039 2.695
216 HB3 GLN 34 HB3 GLN 34 2.350 4.648 1.427
217 HG2 GLN 34 HG2 GLN 34 0.560 6.017 0.551
218 HG3 GLN 34 HG3 GLN 34 -0.567 5.288 1.692
219 HE21 GLN 34 HE21 GLN 34 -0.727 6.097 3.716
220 HE22 GLN 34 HE22 GLN 34 0.238 7.394 4.305
221 H CYS 35 H CYS 35 -1.309 3.610 -0.270
222 HA CYS 35 HA CYS 35 -0.497 3.906 -3.013
223 HB2 CYS 35 HB2 CYS 35 -3.124 4.595 -1.679
224 HB3 CYS 35 HB3 CYS 35 -2.837 4.553 -3.412
225 H LEU 36 H LEU 36 0.546 5.657 -3.630
226 HA LEU 36 HA LEU 36 -0.364 8.254 -2.660
227 HB2 LEU 36 HB2 LEU 36 2.451 7.356 -3.288
228 HB3 LEU 36 HB3 LEU 36 1.991 9.036 -3.084
229 HG LEU 36 HG LEU 36 1.748 6.919 -0.945
230 HD11 LEU 36 HD11 LEU 36 3.609 8.066 0.123
231 HD12 LEU 36 HD12 LEU 36 3.744 9.149 -1.262
232 HD13 LEU 36 HD13 LEU 36 4.083 7.427 -1.453
233 HD21 LEU 36 HD21 LEU 36 1.349 9.905 -0.882
234 HD22 LEU 36 HD22 LEU 36 1.339 8.841 0.524
235 HD23 LEU 36 HD23 LEU 36 0.092 8.676 -0.712
236 H1 MAN 101 H1 MAN 101 -9.167 5.863 2.427
237 H2 MAN 101 H2 MAN 101 -7.119 5.177 3.679
238 H3 MAN 101 H3 MAN 101 -7.152 2.837 3.021
239 H4 MAN 101 H4 MAN 101 -9.542 2.634 4.883
240 H5 MAN 101 H5 MAN 101 -9.346 2.199 1.855
241 H61 MAN 101 H61 MAN 101 -11.097 0.886 3.052
242 H62 MAN 101 H62 MAN 101 -11.776 2.064 1.906
243 HO2 MAN 101 HO2 MAN 101 -8.989 5.968 4.760
244 HO3 MAN 101 HO3 MAN 101 -6.830 1.932 5.065
245 HO4 MAN 101 HO4 MAN 101 -9.442 0.440 4.166
246 HO6 MAN 101 HO6 MAN 101 -11.754 3.514 3.874
Start of MODEL 11
1 H1 THR 1 H1 THR 1 -10.936 -1.448 -5.640
2 H2 THR 1 H2 THR 1 -11.373 -0.347 -4.453
3 H3 THR 1 H3 THR 1 -10.626 -1.786 -3.997
4 HA THR 1 HA THR 1 -8.619 -1.007 -5.148
5 HB THR 1 HB THR 1 -8.761 1.561 -5.533
6 HG1 THR 1 HG1 THR 1 -10.790 2.355 -5.939
7 HG21 THR 1 HG21 THR 1 -8.327 -0.057 -7.329
8 HG22 THR 1 HG22 THR 1 -9.408 1.215 -7.889
9 HG23 THR 1 HG23 THR 1 -10.053 -0.371 -7.481
10 H GLN 2 H GLN 2 -7.082 -0.044 -3.813
11 HA GLN 2 HA GLN 2 -8.036 0.689 -1.183
12 HB2 GLN 2 HB2 GLN 2 -6.103 -0.833 -1.386
13 HB3 GLN 2 HB3 GLN 2 -5.210 0.416 -2.242
14 HG2 GLN 2 HG2 GLN 2 -4.579 0.228 0.132
15 HG3 GLN 2 HG3 GLN 2 -5.200 1.816 -0.307
16 HE21 GLN 2 HE21 GLN 2 -5.867 2.356 1.581
17 HE22 GLN 2 HE22 GLN 2 -7.146 1.622 2.523
18 H SER 3 H SER 3 -7.662 2.669 -0.177
19 HA SER 3 HA SER 3 -8.004 4.813 -1.998
20 HB2 SER 3 HB2 SER 3 -8.551 6.094 -0.023
21 HB3 SER 3 HB3 SER 3 -9.437 4.571 -0.041
22 H HIS 4 H HIS 4 -7.073 6.854 -1.393
23 HA HIS 4 HA HIS 4 -4.240 6.834 -1.825
24 HB2 HIS 4 HB2 HIS 4 -5.919 8.437 -2.824
25 HB3 HIS 4 HB3 HIS 4 -6.077 9.169 -1.246
26 HD1 HIS 4 HD1 HIS 4 -5.333 11.371 -2.567
27 HD2 HIS 4 HD2 HIS 4 -2.414 8.455 -2.193
28 HE1 HIS 4 HE1 HIS 4 -3.186 12.505 -3.127
29 HE2 HIS 4 HE2 HIS 4 -1.531 10.654 -3.232
30 H TYR 5 H TYR 5 -2.690 7.020 -0.310
31 HA TYR 5 HA TYR 5 -1.609 7.256 1.583
32 HB2 TYR 5 HB2 TYR 5 -3.976 8.885 2.355
33 HB3 TYR 5 HB3 TYR 5 -2.753 8.509 3.573
34 HD1 TYR 5 HD1 TYR 5 -3.552 10.456 0.587
35 HD2 TYR 5 HD2 TYR 5 -0.493 9.420 3.347
36 HE1 TYR 5 HE1 TYR 5 -2.200 12.345 -0.205
37 HE2 TYR 5 HE2 TYR 5 0.867 11.294 2.566
38 HH TYR 5 HH TYR 5 1.088 12.684 0.630
39 H GLY 6 H GLY 6 -3.917 5.286 1.071
40 HA2 GLY 6 HA2 GLY 6 -4.116 4.185 3.756
41 HA3 GLY 6 HA3 GLY 6 -5.003 3.680 2.336
42 H GLN 7 H GLN 7 -3.650 1.844 4.008
43 HA GLN 7 HA GLN 7 -1.120 1.153 2.836
44 HB2 GLN 7 HB2 GLN 7 -1.818 0.703 5.244
45 HB3 GLN 7 HB3 GLN 7 -2.851 -0.575 4.604
46 HG2 GLN 7 HG2 GLN 7 -0.920 -1.746 3.744
47 HG3 GLN 7 HG3 GLN 7 0.152 -0.464 4.294
48 HE21 GLN 7 HE21 GLN 7 0.381 -3.180 5.072
49 HE22 GLN 7 HE22 GLN 7 0.066 -3.269 6.748
50 H CYS 8 H CYS 8 -0.868 0.038 1.019
51 HA CYS 8 HA CYS 8 -3.233 -1.284 -0.161
52 HB2 CYS 8 HB2 CYS 8 -1.994 -1.018 -2.276
53 HB3 CYS 8 HB3 CYS 8 -2.451 0.489 -1.496
54 H GLY 9 H GLY 9 -0.916 -2.467 1.602
55 HA2 GLY 9 HA2 GLY 9 -1.122 -4.992 1.331
56 HA3 GLY 9 HA3 GLY 9 -0.678 -4.680 -0.323
57 H GLY 10 H GLY 10 0.491 -4.302 2.933
58 HA2 GLY 10 HA2 GLY 10 3.207 -4.835 1.968
59 HA3 GLY 10 HA3 GLY 10 2.764 -4.272 3.588
60 H ILE 11 H ILE 11 4.320 -6.412 3.629
61 HA ILE 11 HA ILE 11 3.038 -8.888 3.380
62 HB ILE 11 HB ILE 11 5.256 -8.138 5.308
63 HG12 ILE 11 HG12 ILE 11 5.428 -9.329 2.538
64 HG13 ILE 11 HG13 ILE 11 5.704 -7.631 2.901
65 HG21 ILE 11 HG21 ILE 11 4.204 -10.265 5.899
66 HG22 ILE 11 HG22 ILE 11 5.820 -10.539 5.247
67 HG23 ILE 11 HG23 ILE 11 4.400 -10.833 4.239
68 HD11 ILE 11 HD11 ILE 11 7.793 -8.789 2.662
69 HD12 ILE 11 HD12 ILE 11 7.309 -9.959 3.894
70 HD13 ILE 11 HD13 ILE 11 7.576 -8.272 4.336
71 H GLY 12 H GLY 12 1.274 -9.524 4.352
72 HA2 GLY 12 HA2 GLY 12 0.340 -10.325 6.439
73 HA3 GLY 12 HA3 GLY 12 0.864 -8.816 7.173
74 H TYR 13 H TYR 13 -0.067 -7.709 4.357
75 HA TYR 13 HA TYR 13 -2.731 -7.026 5.347
76 HB2 TYR 13 HB2 TYR 13 -1.106 -5.246 4.589
77 HB3 TYR 13 HB3 TYR 13 -1.209 -5.925 2.976
78 HD1 TYR 13 HD1 TYR 13 -3.249 -5.534 1.597
79 HD2 TYR 13 HD2 TYR 13 -2.900 -3.944 5.533
80 HE1 TYR 13 HE1 TYR 13 -5.147 -4.035 1.163
81 HE2 TYR 13 HE2 TYR 13 -4.830 -2.460 5.094
82 HH TYR 13 HH TYR 13 -5.900 -1.456 2.974
83 H SER 14 H SER 14 -4.596 -7.751 4.355
84 HA SER 14 HA SER 14 -4.214 -9.440 1.980
85 HB2 SER 14 HB2 SER 14 -5.878 -10.084 4.409
86 HB3 SER 14 HB3 SER 14 -5.696 -11.096 2.972
87 HG SER 14 HG SER 14 -3.376 -10.980 3.464
88 H GLY 15 H GLY 15 -5.518 -6.695 2.743
89 HA2 GLY 15 HA2 GLY 15 -8.220 -7.154 1.749
90 HA3 GLY 15 HA3 GLY 15 -7.561 -5.635 2.333
91 HA PRO 16 HA PRO 16 -7.617 -5.096 -2.162
92 HB2 PRO 16 HB2 PRO 16 -7.847 -2.365 -2.073
93 HB3 PRO 16 HB3 PRO 16 -9.221 -3.468 -2.032
94 HG2 PRO 16 HG2 PRO 16 -7.952 -1.953 0.166
95 HG3 PRO 16 HG3 PRO 16 -9.637 -2.440 -0.038
96 HD2 PRO 16 HD2 PRO 16 -7.795 -3.680 1.630
97 HD3 PRO 16 HD3 PRO 16 -9.295 -4.415 1.044
98 H THR 17 H THR 17 -5.664 -5.341 -2.982
99 HA THR 17 HA THR 17 -3.487 -3.764 -1.908
100 HB THR 17 HB THR 17 -2.084 -5.546 -3.094
101 HG1 THR 17 HG1 THR 17 -3.144 -6.982 -4.168
102 HG21 THR 17 HG21 THR 17 -3.963 -6.425 -0.894
103 HG22 THR 17 HG22 THR 17 -2.533 -5.441 -0.657
104 HG23 THR 17 HG23 THR 17 -2.366 -7.105 -1.236
105 H VAL 18 H VAL 18 -5.557 -3.588 -4.345
106 HA VAL 18 HA VAL 18 -3.595 -2.426 -6.182
107 HB VAL 18 HB VAL 18 -6.474 -3.245 -6.747
108 HG11 VAL 18 HG11 VAL 18 -5.794 -1.328 -8.105
109 HG12 VAL 18 HG12 VAL 18 -5.938 -2.775 -9.105
110 HG13 VAL 18 HG13 VAL 18 -4.347 -2.195 -8.618
111 HG21 VAL 18 HG21 VAL 18 -4.992 -5.168 -6.463
112 HG22 VAL 18 HG22 VAL 18 -3.878 -4.492 -7.650
113 HG23 VAL 18 HG23 VAL 18 -5.495 -4.997 -8.144
114 H CYS 19 H CYS 19 -3.436 -0.305 -6.090
115 HA CYS 19 HA CYS 19 -5.186 1.228 -4.496
116 HB2 CYS 19 HB2 CYS 19 -2.927 1.999 -6.317
117 HB3 CYS 19 HB3 CYS 19 -3.772 3.094 -5.231
118 H ALA 20 H ALA 20 -6.248 3.128 -5.162
119 HA ALA 20 HA ALA 20 -7.960 2.868 -7.360
120 HB1 ALA 20 HB1 ALA 20 -8.500 4.201 -5.384
121 HB2 ALA 20 HB2 ALA 20 -8.560 5.191 -6.849
122 HB3 ALA 20 HB3 ALA 20 -7.177 5.304 -5.767
123 H SER 21 H SER 21 -7.910 3.894 -9.375
124 HA SER 21 HA SER 21 -5.404 4.170 -10.551
125 HB2 SER 21 HB2 SER 21 -8.089 5.150 -11.533
126 HB3 SER 21 HB3 SER 21 -6.673 4.747 -12.517
127 HG SER 21 HG SER 21 -8.308 3.032 -12.324
128 H GLY 22 H GLY 22 -4.084 5.858 -10.651
129 HA2 GLY 22 HA2 GLY 22 -3.708 8.254 -10.847
130 HA3 GLY 22 HA3 GLY 22 -5.102 8.485 -9.793
131 H THR 23 H THR 23 -3.997 6.005 -8.285
132 HA THR 23 HA THR 23 -1.852 7.413 -6.855
133 HB THR 23 HB THR 23 -2.530 6.238 -4.803
134 HG1 THR 23 HG1 THR 23 -4.425 5.066 -6.529
135 HG21 THR 23 HG21 THR 23 -3.501 8.414 -5.104
136 HG22 THR 23 HG22 THR 23 -4.707 7.352 -4.381
137 HG23 THR 23 HG23 THR 23 -4.792 7.745 -6.099
138 H THR 24 H THR 24 -0.092 6.097 -6.201
139 HA THR 24 HA THR 24 -0.079 3.494 -7.551
140 HB THR 24 HB THR 24 2.418 3.757 -7.655
141 HG1 THR 24 HG1 THR 24 1.759 6.306 -6.573
142 HG21 THR 24 HG21 THR 24 2.405 5.338 -9.542
143 HG22 THR 24 HG22 THR 24 0.809 5.902 -9.051
144 HG23 THR 24 HG23 THR 24 1.020 4.246 -9.609
145 H CYS 25 H CYS 25 0.545 1.681 -6.425
146 HA CYS 25 HA CYS 25 0.602 1.928 -3.565
147 HB2 CYS 25 HB2 CYS 25 -0.578 0.032 -4.625
148 HB3 CYS 25 HB3 CYS 25 0.955 -0.557 -5.274
149 H GLN 26 H GLN 26 2.377 2.836 -2.883
150 HA GLN 26 HA GLN 26 4.928 1.902 -3.907
151 HB2 GLN 26 HB2 GLN 26 4.221 4.248 -2.140
152 HB3 GLN 26 HB3 GLN 26 5.846 3.853 -2.691
153 HG2 GLN 26 HG2 GLN 26 5.197 4.196 -4.990
154 HG3 GLN 26 HG3 GLN 26 3.530 4.478 -4.503
155 HE21 GLN 26 HE21 GLN 26 3.483 6.471 -5.420
156 HE22 GLN 26 HE22 GLN 26 4.321 7.833 -4.776
157 H VAL 27 H VAL 27 5.770 0.250 -2.900
158 HA VAL 27 HA VAL 27 5.089 -0.390 -0.195
159 HB VAL 27 HB VAL 27 7.264 -1.584 -1.954
160 HG11 VAL 27 HG11 VAL 27 7.554 -2.068 0.413
161 HG12 VAL 27 HG12 VAL 27 7.118 -3.530 -0.478
162 HG13 VAL 27 HG13 VAL 27 5.910 -2.691 0.499
163 HG21 VAL 27 HG21 VAL 27 5.102 -1.814 -3.045
164 HG22 VAL 27 HG22 VAL 27 4.412 -2.493 -1.571
165 HG23 VAL 27 HG23 VAL 27 5.657 -3.379 -2.446
166 H LEU 28 H LEU 28 5.764 1.091 1.122
167 HA LEU 28 HA LEU 28 8.244 2.522 0.767
168 HB2 LEU 28 HB2 LEU 28 6.219 2.612 3.000
169 HB3 LEU 28 HB3 LEU 28 7.538 3.745 2.779
170 HG LEU 28 HG LEU 28 5.230 3.383 0.852
171 HD11 LEU 28 HD11 LEU 28 5.763 5.546 2.881
172 HD12 LEU 28 HD12 LEU 28 4.461 4.350 2.929
173 HD13 LEU 28 HD13 LEU 28 4.490 5.574 1.660
174 HD21 LEU 28 HD21 LEU 28 7.275 4.156 -0.220
175 HD22 LEU 28 HD22 LEU 28 7.401 5.430 1.006
176 HD23 LEU 28 HD23 LEU 28 6.059 5.443 -0.141
177 H ASN 29 H ASN 29 6.920 0.060 2.861
178 HA ASN 29 HA ASN 29 9.591 -0.559 3.879
179 HB2 ASN 29 HB2 ASN 29 7.068 -0.611 5.592
180 HB3 ASN 29 HB3 ASN 29 8.672 -1.070 6.092
181 HD21 ASN 29 HD21 ASN 29 7.696 1.886 4.432
182 HD22 ASN 29 HD22 ASN 29 8.127 2.969 5.708
183 HA PRO 30 HA PRO 30 8.322 -4.686 2.726
184 HB2 PRO 30 HB2 PRO 30 8.600 -5.597 5.543
185 HB3 PRO 30 HB3 PRO 30 9.294 -6.290 4.073
186 HG2 PRO 30 HG2 PRO 30 10.841 -4.894 5.706
187 HG3 PRO 30 HG3 PRO 30 10.981 -4.695 3.949
188 HD2 PRO 30 HD2 PRO 30 9.665 -2.914 5.958
189 HD3 PRO 30 HD3 PRO 30 10.629 -2.469 4.536
190 H TYR 31 H TYR 31 6.857 -3.530 5.763
191 HA TYR 31 HA TYR 31 4.497 -5.161 5.104
192 HB2 TYR 31 HB2 TYR 31 4.982 -3.750 7.744
193 HB3 TYR 31 HB3 TYR 31 3.843 -5.028 7.385
194 HD1 TYR 31 HD1 TYR 31 4.595 -7.346 7.139
195 HD2 TYR 31 HD2 TYR 31 7.307 -4.267 8.202
196 HE1 TYR 31 HE1 TYR 31 6.233 -9.034 7.846
197 HE2 TYR 31 HE2 TYR 31 8.950 -5.938 8.915
198 HH TYR 31 HH TYR 31 8.560 -9.264 8.196
199 H TYR 32 H TYR 32 5.665 -1.936 5.439
200 HA TYR 32 HA TYR 32 2.973 -0.871 5.294
201 HB2 TYR 32 HB2 TYR 32 4.566 0.109 6.915
202 HB3 TYR 32 HB3 TYR 32 5.555 0.648 5.564
203 HD1 TYR 32 HD1 TYR 32 1.989 0.794 6.586
204 HD2 TYR 32 HD2 TYR 32 5.337 2.862 4.965
205 HE1 TYR 32 HE1 TYR 32 0.666 2.844 6.501
206 HE2 TYR 32 HE2 TYR 32 4.059 4.901 4.875
207 HH TYR 32 HH TYR 32 1.617 5.575 4.776
208 H SER 33 H SER 33 2.088 -0.552 3.423
209 HA SER 33 HA SER 33 3.698 0.481 1.202
210 HB2 SER 33 HB2 SER 33 1.427 -1.530 0.945
211 HB3 SER 33 HB3 SER 33 2.484 -0.956 -0.347
212 HG SER 33 HG SER 33 3.115 -3.035 0.439
213 H GLN 34 H GLN 34 2.628 2.225 0.199
214 HA GLN 34 HA GLN 34 -0.078 2.773 1.164
215 HB2 GLN 34 HB2 GLN 34 1.246 4.017 2.693
216 HB3 GLN 34 HB3 GLN 34 2.314 4.584 1.427
217 HG2 GLN 34 HG2 GLN 34 0.577 6.033 0.564
218 HG3 GLN 34 HG3 GLN 34 -0.569 5.371 1.729
219 HE21 GLN 34 HE21 GLN 34 -0.628 6.197 3.783
220 HE22 GLN 34 HE22 GLN 34 0.411 7.456 4.318
221 H CYS 35 H CYS 35 -1.424 3.642 -0.265
222 HA CYS 35 HA CYS 35 -0.621 3.900 -3.009
223 HB2 CYS 35 HB2 CYS 35 -3.235 4.694 -1.721
224 HB3 CYS 35 HB3 CYS 35 -2.922 4.539 -3.447
225 H LEU 36 H LEU 36 0.518 5.575 -3.593
226 HA LEU 36 HA LEU 36 -0.339 8.221 -2.719
227 HB2 LEU 36 HB2 LEU 36 2.431 7.240 -3.369
228 HB3 LEU 36 HB3 LEU 36 2.015 8.926 -3.136
229 HG LEU 36 HG LEU 36 1.716 6.794 -1.026
230 HD11 LEU 36 HD11 LEU 36 3.649 7.800 0.010
231 HD12 LEU 36 HD12 LEU 36 3.792 8.949 -1.318
232 HD13 LEU 36 HD13 LEU 36 4.061 7.230 -1.607
233 HD21 LEU 36 HD21 LEU 36 0.140 8.627 -0.754
234 HD22 LEU 36 HD22 LEU 36 1.446 9.795 -0.932
235 HD23 LEU 36 HD23 LEU 36 1.407 8.723 0.468
236 H1 MAN 101 H1 MAN 101 -9.032 6.198 2.206
237 H2 MAN 101 H2 MAN 101 -7.064 5.677 3.640
238 H3 MAN 101 H3 MAN 101 -6.957 3.305 3.358
239 H4 MAN 101 H4 MAN 101 -9.554 3.223 4.954
240 H5 MAN 101 H5 MAN 101 -9.023 2.496 2.033
241 H61 MAN 101 H61 MAN 101 -10.876 1.225 3.216
242 H62 MAN 101 H62 MAN 101 -11.360 2.081 1.740
243 HO2 MAN 101 HO2 MAN 101 -8.236 5.495 5.544
244 HO3 MAN 101 HO3 MAN 101 -6.880 2.803 5.598
245 HO4 MAN 101 HO4 MAN 101 -9.285 0.962 4.553
246 HO6 MAN 101 HO6 MAN 101 -11.649 3.789 3.799
Start of MODEL 12
1 H1 THR 1 H1 THR 1 -11.548 -0.693 -5.913
2 H2 THR 1 H2 THR 1 -11.774 0.539 -4.788
3 H3 THR 1 H3 THR 1 -11.393 -1.007 -4.251
4 HA THR 1 HA THR 1 -9.240 -0.797 -5.254
5 HB THR 1 HB THR 1 -8.680 1.623 -5.916
6 HG1 THR 1 HG1 THR 1 -10.621 2.641 -6.935
7 HG21 THR 1 HG21 THR 1 -8.658 -0.226 -7.511
8 HG22 THR 1 HG22 THR 1 -9.336 1.221 -8.257
9 HG23 THR 1 HG23 THR 1 -10.403 -0.080 -7.727
10 H GLN 2 H GLN 2 -7.552 0.023 -4.000
11 HA GLN 2 HA GLN 2 -8.271 0.747 -1.351
12 HB2 GLN 2 HB2 GLN 2 -6.408 -0.785 -1.765
13 HB3 GLN 2 HB3 GLN 2 -5.573 0.435 -2.709
14 HG2 GLN 2 HG2 GLN 2 -4.638 0.261 -0.413
15 HG3 GLN 2 HG3 GLN 2 -5.338 1.822 -0.786
16 HE21 GLN 2 HE21 GLN 2 -5.680 2.320 1.066
17 HE22 GLN 2 HE22 GLN 2 -6.821 1.656 2.215
18 H SER 3 H SER 3 -7.958 2.717 -0.306
19 HA SER 3 HA SER 3 -8.229 4.940 -2.029
20 HB2 SER 3 HB2 SER 3 -8.615 6.165 0.042
21 HB3 SER 3 HB3 SER 3 -9.614 4.714 -0.044
22 H HIS 4 H HIS 4 -7.086 6.862 -1.725
23 HA HIS 4 HA HIS 4 -4.263 6.632 -1.978
24 HB2 HIS 4 HB2 HIS 4 -5.814 8.422 -2.996
25 HB3 HIS 4 HB3 HIS 4 -5.798 9.182 -1.421
26 HD1 HIS 4 HD1 HIS 4 -4.725 11.286 -2.711
27 HD2 HIS 4 HD2 HIS 4 -2.364 7.884 -2.605
28 HE1 HIS 4 HE1 HIS 4 -2.453 12.019 -3.477
29 HE2 HIS 4 HE2 HIS 4 -1.245 9.828 -3.808
30 H TYR 5 H TYR 5 -2.696 6.902 -0.434
31 HA TYR 5 HA TYR 5 -1.676 7.135 1.460
32 HB2 TYR 5 HB2 TYR 5 -4.067 8.755 2.258
33 HB3 TYR 5 HB3 TYR 5 -2.756 8.452 3.406
34 HD1 TYR 5 HD1 TYR 5 -3.847 10.345 0.506
35 HD2 TYR 5 HD2 TYR 5 -0.490 9.342 2.908
36 HE1 TYR 5 HE1 TYR 5 -2.599 12.217 -0.467
37 HE2 TYR 5 HE2 TYR 5 0.769 11.209 1.946
38 HH TYR 5 HH TYR 5 -0.718 13.635 0.081
39 H GLY 6 H GLY 6 -4.138 5.230 0.989
40 HA2 GLY 6 HA2 GLY 6 -4.280 4.027 3.639
41 HA3 GLY 6 HA3 GLY 6 -5.123 3.528 2.213
42 H GLN 7 H GLN 7 -3.780 1.731 3.861
43 HA GLN 7 HA GLN 7 -1.181 1.183 2.806
44 HB2 GLN 7 HB2 GLN 7 -1.932 0.629 5.157
45 HB3 GLN 7 HB3 GLN 7 -2.953 -0.620 4.474
46 HG2 GLN 7 HG2 GLN 7 -1.042 -1.846 3.690
47 HG3 GLN 7 HG3 GLN 7 0.042 -0.532 4.149
48 HE21 GLN 7 HE21 GLN 7 0.172 -3.274 5.024
49 HE22 GLN 7 HE22 GLN 7 -0.020 -3.262 6.726
50 H CYS 8 H CYS 8 -0.749 0.089 1.016
51 HA CYS 8 HA CYS 8 -3.029 -1.130 -0.387
52 HB2 CYS 8 HB2 CYS 8 -1.687 -0.835 -2.405
53 HB3 CYS 8 HB3 CYS 8 -2.072 0.660 -1.559
54 H GLY 9 H GLY 9 -0.777 -2.374 1.484
55 HA2 GLY 9 HA2 GLY 9 -0.908 -4.894 1.239
56 HA3 GLY 9 HA3 GLY 9 -0.466 -4.602 -0.426
57 H GLY 10 H GLY 10 0.592 -4.549 2.837
58 HA2 GLY 10 HA2 GLY 10 3.358 -4.752 1.922
59 HA3 GLY 10 HA3 GLY 10 2.828 -4.548 3.598
60 H ILE 11 H ILE 11 4.447 -6.578 3.465
61 HA ILE 11 HA ILE 11 3.250 -9.031 2.718
62 HB ILE 11 HB ILE 11 5.387 -8.537 4.825
63 HG12 ILE 11 HG12 ILE 11 5.685 -9.269 1.898
64 HG13 ILE 11 HG13 ILE 11 5.991 -7.680 2.579
65 HG21 ILE 11 HG21 ILE 11 4.341 -10.746 5.043
66 HG22 ILE 11 HG22 ILE 11 6.001 -10.896 4.469
67 HG23 ILE 11 HG23 ILE 11 4.658 -11.076 3.340
68 HD11 ILE 11 HD11 ILE 11 7.484 -10.204 3.248
69 HD12 ILE 11 HD12 ILE 11 7.812 -8.606 3.923
70 HD13 ILE 11 HD13 ILE 11 8.061 -8.905 2.200
71 H GLY 12 H GLY 12 1.417 -9.776 3.571
72 HA2 GLY 12 HA2 GLY 12 0.465 -10.876 5.502
73 HA3 GLY 12 HA3 GLY 12 1.082 -9.556 6.487
74 H TYR 13 H TYR 13 0.152 -7.804 4.092
75 HA TYR 13 HA TYR 13 -2.423 -7.224 5.313
76 HB2 TYR 13 HB2 TYR 13 -0.883 -5.370 4.709
77 HB3 TYR 13 HB3 TYR 13 -0.998 -5.841 3.024
78 HD1 TYR 13 HD1 TYR 13 -2.817 -5.015 1.652
79 HD2 TYR 13 HD2 TYR 13 -2.924 -4.448 5.876
80 HE1 TYR 13 HE1 TYR 13 -4.672 -3.429 1.390
81 HE2 TYR 13 HE2 TYR 13 -4.802 -2.869 5.606
82 HH TYR 13 HH TYR 13 -6.376 -2.441 2.538
83 H SER 14 H SER 14 -4.099 -8.373 4.713
84 HA SER 14 HA SER 14 -4.146 -9.551 2.047
85 HB2 SER 14 HB2 SER 14 -5.842 -10.127 4.470
86 HB3 SER 14 HB3 SER 14 -5.766 -11.079 2.982
87 HG SER 14 HG SER 14 -3.314 -10.636 4.011
88 H GLY 15 H GLY 15 -5.184 -6.798 3.396
89 HA2 GLY 15 HA2 GLY 15 -7.908 -6.676 2.488
90 HA3 GLY 15 HA3 GLY 15 -6.920 -5.319 3.008
91 HA PRO 16 HA PRO 16 -7.679 -4.923 -1.588
92 HB2 PRO 16 HB2 PRO 16 -7.756 -2.071 -0.741
93 HB3 PRO 16 HB3 PRO 16 -8.844 -2.942 -1.831
94 HG2 PRO 16 HG2 PRO 16 -9.630 -2.296 0.627
95 HG3 PRO 16 HG3 PRO 16 -10.060 -3.866 -0.077
96 HD2 PRO 16 HD2 PRO 16 -7.922 -3.217 1.927
97 HD3 PRO 16 HD3 PRO 16 -9.039 -4.588 1.887
98 H THR 17 H THR 17 -5.788 -5.115 -2.620
99 HA THR 17 HA THR 17 -3.530 -3.474 -1.770
100 HB THR 17 HB THR 17 -2.169 -5.144 -3.039
101 HG1 THR 17 HG1 THR 17 -3.134 -6.588 -4.155
102 HG21 THR 17 HG21 THR 17 -2.459 -5.260 -0.621
103 HG22 THR 17 HG22 THR 17 -2.340 -6.883 -1.313
104 HG23 THR 17 HG23 THR 17 -3.912 -6.234 -0.827
105 H VAL 18 H VAL 18 -5.852 -3.473 -4.061
106 HA VAL 18 HA VAL 18 -4.069 -2.417 -6.140
107 HB VAL 18 HB VAL 18 -7.021 -3.111 -6.369
108 HG11 VAL 18 HG11 VAL 18 -6.383 -1.326 -7.916
109 HG12 VAL 18 HG12 VAL 18 -6.706 -2.822 -8.790
110 HG13 VAL 18 HG13 VAL 18 -5.043 -2.306 -8.506
111 HG21 VAL 18 HG21 VAL 18 -4.596 -4.556 -7.432
112 HG22 VAL 18 HG22 VAL 18 -6.279 -5.000 -7.731
113 HG23 VAL 18 HG23 VAL 18 -5.616 -5.089 -6.095
114 H CYS 19 H CYS 19 -3.702 -0.371 -5.907
115 HA CYS 19 HA CYS 19 -5.233 1.443 -4.420
116 HB2 CYS 19 HB2 CYS 19 -3.068 1.866 -6.457
117 HB3 CYS 19 HB3 CYS 19 -3.718 3.112 -5.401
118 H ALA 20 H ALA 20 -6.370 3.249 -5.065
119 HA ALA 20 HA ALA 20 -8.128 2.994 -7.226
120 HB1 ALA 20 HB1 ALA 20 -8.629 4.303 -5.235
121 HB2 ALA 20 HB2 ALA 20 -8.772 5.289 -6.697
122 HB3 ALA 20 HB3 ALA 20 -7.357 5.450 -5.658
123 H SER 21 H SER 21 -8.247 4.025 -9.147
124 HA SER 21 HA SER 21 -6.056 4.216 -10.726
125 HB2 SER 21 HB2 SER 21 -7.695 5.576 -12.187
126 HB3 SER 21 HB3 SER 21 -8.138 3.924 -11.734
127 HG SER 21 HG SER 21 -9.826 5.439 -11.434
128 H GLY 22 H GLY 22 -4.497 5.579 -10.908
129 HA2 GLY 22 HA2 GLY 22 -3.729 7.834 -11.311
130 HA3 GLY 22 HA3 GLY 22 -4.865 8.369 -10.079
131 H THR 23 H THR 23 -4.002 5.874 -8.468
132 HA THR 23 HA THR 23 -1.619 7.188 -7.388
133 HB THR 23 HB THR 23 -2.170 6.154 -5.211
134 HG1 THR 23 HG1 THR 23 -4.392 5.079 -6.656
135 HG21 THR 23 HG21 THR 23 -4.490 7.631 -6.451
136 HG22 THR 23 HG22 THR 23 -3.067 8.365 -5.709
137 HG23 THR 23 HG23 THR 23 -4.201 7.448 -4.722
138 H THR 24 H THR 24 0.017 5.794 -6.393
139 HA THR 24 HA THR 24 0.195 3.191 -7.743
140 HB THR 24 HB THR 24 2.701 3.554 -7.563
141 HG1 THR 24 HG1 THR 24 1.786 5.973 -6.506
142 HG21 THR 24 HG21 THR 24 1.514 3.803 -9.697
143 HG22 THR 24 HG22 THR 24 2.819 4.981 -9.568
144 HG23 THR 24 HG23 THR 24 1.146 5.483 -9.307
145 H CYS 25 H CYS 25 0.883 1.449 -6.461
146 HA CYS 25 HA CYS 25 0.715 1.878 -3.633
147 HB2 CYS 25 HB2 CYS 25 -0.353 -0.083 -4.592
148 HB3 CYS 25 HB3 CYS 25 1.177 -0.639 -5.266
149 H GLN 26 H GLN 26 2.427 2.615 -2.627
150 HA GLN 26 HA GLN 26 5.031 1.830 -3.653
151 HB2 GLN 26 HB2 GLN 26 4.190 4.224 -2.053
152 HB3 GLN 26 HB3 GLN 26 5.857 3.860 -2.464
153 HG2 GLN 26 HG2 GLN 26 5.221 3.937 -4.867
154 HG3 GLN 26 HG3 GLN 26 3.597 4.404 -4.382
155 HE21 GLN 26 HE21 GLN 26 3.718 6.310 -5.468
156 HE22 GLN 26 HE22 GLN 26 4.690 7.642 -4.930
157 H VAL 27 H VAL 27 6.025 0.387 -2.599
158 HA VAL 27 HA VAL 27 5.316 -0.366 0.071
159 HB VAL 27 HB VAL 27 7.667 -1.275 -1.626
160 HG11 VAL 27 HG11 VAL 27 7.699 -3.254 -0.191
161 HG12 VAL 27 HG12 VAL 27 6.370 -2.580 0.752
162 HG13 VAL 27 HG13 VAL 27 7.935 -1.775 0.747
163 HG21 VAL 27 HG21 VAL 27 5.567 -1.719 -2.784
164 HG22 VAL 27 HG22 VAL 27 4.931 -2.526 -1.351
165 HG23 VAL 27 HG23 VAL 27 6.300 -3.221 -2.227
166 H LEU 28 H LEU 28 5.839 1.033 1.540
167 HA LEU 28 HA LEU 28 8.219 2.697 1.336
168 HB2 LEU 28 HB2 LEU 28 6.009 2.629 3.388
169 HB3 LEU 28 HB3 LEU 28 7.281 3.834 3.307
170 HG LEU 28 HG LEU 28 5.174 3.399 1.175
171 HD11 LEU 28 HD11 LEU 28 4.288 5.533 1.900
172 HD12 LEU 28 HD12 LEU 28 5.460 5.589 3.217
173 HD13 LEU 28 HD13 LEU 28 4.207 4.339 3.193
174 HD21 LEU 28 HD21 LEU 28 7.264 5.494 1.526
175 HD22 LEU 28 HD22 LEU 28 6.015 5.498 0.273
176 HD23 LEU 28 HD23 LEU 28 7.267 4.241 0.279
177 H ASN 29 H ASN 29 6.856 0.184 3.314
178 HA ASN 29 HA ASN 29 9.488 -0.424 4.438
179 HB2 ASN 29 HB2 ASN 29 6.847 -0.641 5.967
180 HB3 ASN 29 HB3 ASN 29 8.422 -1.100 6.548
181 HD21 ASN 29 HD21 ASN 29 7.694 1.984 4.988
182 HD22 ASN 29 HD22 ASN 29 7.936 2.970 6.381
183 HA PRO 30 HA PRO 30 8.335 -4.429 2.823
184 HB2 PRO 30 HB2 PRO 30 8.651 -5.638 5.530
185 HB3 PRO 30 HB3 PRO 30 9.375 -6.131 3.995
186 HG2 PRO 30 HG2 PRO 30 10.861 -4.877 5.753
187 HG3 PRO 30 HG3 PRO 30 10.954 -4.417 4.042
188 HD2 PRO 30 HD2 PRO 30 9.511 -3.040 6.284
189 HD3 PRO 30 HD3 PRO 30 10.504 -2.321 5.002
190 H TYR 31 H TYR 31 6.749 -3.497 5.824
191 HA TYR 31 HA TYR 31 4.468 -5.170 5.014
192 HB2 TYR 31 HB2 TYR 31 4.946 -3.969 7.755
193 HB3 TYR 31 HB3 TYR 31 3.745 -5.169 7.308
194 HD1 TYR 31 HD1 TYR 31 7.280 -4.606 8.069
195 HD2 TYR 31 HD2 TYR 31 4.390 -7.491 6.917
196 HE1 TYR 31 HE1 TYR 31 8.872 -6.395 8.601
197 HE2 TYR 31 HE2 TYR 31 5.971 -9.293 7.452
198 HH TYR 31 HH TYR 31 8.853 -8.701 9.169
199 H TYR 32 H TYR 32 5.538 -1.938 5.629
200 HA TYR 32 HA TYR 32 2.828 -0.926 5.410
201 HB2 TYR 32 HB2 TYR 32 4.310 0.048 7.140
202 HB3 TYR 32 HB3 TYR 32 5.385 0.617 5.867
203 HD1 TYR 32 HD1 TYR 32 1.727 0.713 6.510
204 HD2 TYR 32 HD2 TYR 32 5.234 2.902 5.461
205 HE1 TYR 32 HE1 TYR 32 0.412 2.749 6.392
206 HE2 TYR 32 HE2 TYR 32 3.941 4.941 5.343
207 HH TYR 32 HH TYR 32 1.697 5.741 5.160
208 H SER 33 H SER 33 2.050 -0.621 3.486
209 HA SER 33 HA SER 33 3.744 0.583 1.429
210 HB2 SER 33 HB2 SER 33 1.588 -1.509 0.962
211 HB3 SER 33 HB3 SER 33 2.648 -0.798 -0.252
212 HG SER 33 HG SER 33 3.223 -2.943 0.595
213 H GLN 34 H GLN 34 2.645 2.219 0.313
214 HA GLN 34 HA GLN 34 -0.084 2.741 1.216
215 HB2 GLN 34 HB2 GLN 34 1.200 4.035 2.723
216 HB3 GLN 34 HB3 GLN 34 2.289 4.564 1.451
217 HG2 GLN 34 HG2 GLN 34 0.586 5.982 0.520
218 HG3 GLN 34 HG3 GLN 34 -0.599 5.346 1.660
219 HE21 GLN 34 HE21 GLN 34 -0.678 6.129 3.667
220 HE22 GLN 34 HE22 GLN 34 0.262 7.430 4.260
221 H CYS 35 H CYS 35 -1.404 3.543 -0.302
222 HA CYS 35 HA CYS 35 -0.489 3.762 -3.004
223 HB2 CYS 35 HB2 CYS 35 -3.131 4.643 -1.827
224 HB3 CYS 35 HB3 CYS 35 -2.737 4.491 -3.538
225 H LEU 36 H LEU 36 0.555 5.417 -3.752
226 HA LEU 36 HA LEU 36 -0.075 8.070 -2.742
227 HB2 LEU 36 HB2 LEU 36 2.617 6.907 -3.404
228 HB3 LEU 36 HB3 LEU 36 2.336 8.626 -3.202
229 HG LEU 36 HG LEU 36 1.877 6.542 -1.071
230 HD11 LEU 36 HD11 LEU 36 4.064 8.588 -1.345
231 HD12 LEU 36 HD12 LEU 36 4.251 6.848 -1.565
232 HD13 LEU 36 HD13 LEU 36 3.826 7.497 0.019
233 HD21 LEU 36 HD21 LEU 36 1.710 9.546 -1.028
234 HD22 LEU 36 HD22 LEU 36 1.636 8.500 0.392
235 HD23 LEU 36 HD23 LEU 36 0.374 8.406 -0.833
236 H1 MAN 101 H1 MAN 101 -8.935 6.212 2.241
237 H2 MAN 101 H2 MAN 101 -6.894 5.398 3.443
238 H3 MAN 101 H3 MAN 101 -7.261 3.001 3.367
239 H4 MAN 101 H4 MAN 101 -9.691 3.635 5.063
240 H5 MAN 101 H5 MAN 101 -9.378 2.544 2.227
241 H61 MAN 101 H61 MAN 101 -11.242 1.492 3.423
242 H62 MAN 101 H62 MAN 101 -11.802 2.520 2.091
243 HO2 MAN 101 HO2 MAN 101 -8.510 6.705 4.415
244 HO3 MAN 101 HO3 MAN 101 -7.638 4.074 5.983
245 HO4 MAN 101 HO4 MAN 101 -8.539 1.721 5.569
246 HO6 MAN 101 HO6 MAN 101 -12.042 2.799 4.883
Start of MODEL 13
1 H1 THR 1 H1 THR 1 -11.898 0.764 -4.817
2 H2 THR 1 H2 THR 1 -11.725 -0.779 -4.190
3 H3 THR 1 H3 THR 1 -11.779 -0.549 -5.883
4 HA THR 1 HA THR 1 -9.513 -0.877 -5.158
5 HB THR 1 HB THR 1 -8.677 1.497 -5.772
6 HG1 THR 1 HG1 THR 1 -10.537 2.635 -6.877
7 HG21 THR 1 HG21 THR 1 -9.248 1.178 -8.136
8 HG22 THR 1 HG22 THR 1 -10.509 0.036 -7.691
9 HG23 THR 1 HG23 THR 1 -8.815 -0.361 -7.394
10 H GLN 2 H GLN 2 -7.695 0.068 -3.957
11 HA GLN 2 HA GLN 2 -8.450 0.719 -1.279
12 HB2 GLN 2 HB2 GLN 2 -6.576 -0.826 -1.731
13 HB3 GLN 2 HB3 GLN 2 -5.710 0.447 -2.565
14 HG2 GLN 2 HG2 GLN 2 -4.895 0.080 -0.303
15 HG3 GLN 2 HG3 GLN 2 -5.524 1.710 -0.545
16 HE21 GLN 2 HE21 GLN 2 -6.106 2.168 1.402
17 HE22 GLN 2 HE22 GLN 2 -7.323 1.314 2.327
18 H SER 3 H SER 3 -8.055 2.647 -0.178
19 HA SER 3 HA SER 3 -8.391 4.954 -1.759
20 HB2 SER 3 HB2 SER 3 -8.567 6.122 0.354
21 HB3 SER 3 HB3 SER 3 -9.575 4.683 0.379
22 H HIS 4 H HIS 4 -7.324 6.851 -1.225
23 HA HIS 4 HA HIS 4 -4.505 6.719 -1.849
24 HB2 HIS 4 HB2 HIS 4 -6.148 8.451 -2.753
25 HB3 HIS 4 HB3 HIS 4 -6.168 9.158 -1.158
26 HD1 HIS 4 HD1 HIS 4 -5.177 11.391 -1.957
27 HD2 HIS 4 HD2 HIS 4 -2.762 8.131 -2.809
28 HE1 HIS 4 HE1 HIS 4 -3.021 12.352 -2.773
29 HE2 HIS 4 HE2 HIS 4 -1.826 10.351 -3.687
30 H TYR 5 H TYR 5 -2.872 6.990 -0.382
31 HA TYR 5 HA TYR 5 -1.766 7.211 1.521
32 HB2 TYR 5 HB2 TYR 5 -4.245 8.593 2.490
33 HB3 TYR 5 HB3 TYR 5 -2.804 8.448 3.518
34 HD1 TYR 5 HD1 TYR 5 -0.606 9.352 2.238
35 HD2 TYR 5 HD2 TYR 5 -4.590 10.540 1.366
36 HE1 TYR 5 HE1 TYR 5 0.237 11.410 1.196
37 HE2 TYR 5 HE2 TYR 5 -3.759 12.599 0.330
38 HH TYR 5 HH TYR 5 -0.553 12.973 -0.532
39 H GLY 6 H GLY 6 -4.031 5.156 0.929
40 HA2 GLY 6 HA2 GLY 6 -4.221 3.934 3.564
41 HA3 GLY 6 HA3 GLY 6 -5.034 3.423 2.087
42 H GLN 7 H GLN 7 -3.815 1.534 3.601
43 HA GLN 7 HA GLN 7 -1.126 1.070 2.670
44 HB2 GLN 7 HB2 GLN 7 -1.969 0.497 4.973
45 HB3 GLN 7 HB3 GLN 7 -2.947 -0.766 4.244
46 HG2 GLN 7 HG2 GLN 7 -0.968 -1.912 3.506
47 HG3 GLN 7 HG3 GLN 7 0.077 -0.636 4.112
48 HE21 GLN 7 HE21 GLN 7 0.264 -3.330 4.915
49 HE22 GLN 7 HE22 GLN 7 -0.173 -3.399 6.579
50 H CYS 8 H CYS 8 -0.569 -0.324 1.016
51 HA CYS 8 HA CYS 8 -2.873 -1.533 -0.393
52 HB2 CYS 8 HB2 CYS 8 -1.695 -1.023 -2.477
53 HB3 CYS 8 HB3 CYS 8 -2.195 0.390 -1.554
54 H GLY 9 H GLY 9 -0.225 -2.657 1.223
55 HA2 GLY 9 HA2 GLY 9 -0.449 -5.230 0.451
56 HA3 GLY 9 HA3 GLY 9 0.435 -4.561 -0.898
57 H GLY 10 H GLY 10 0.558 -4.728 2.614
58 HA2 GLY 10 HA2 GLY 10 3.465 -4.984 2.401
59 HA3 GLY 10 HA3 GLY 10 2.575 -4.631 3.885
60 H ILE 11 H ILE 11 4.367 -6.667 3.933
61 HA ILE 11 HA ILE 11 3.401 -9.226 3.328
62 HB ILE 11 HB ILE 11 5.025 -8.476 5.773
63 HG12 ILE 11 HG12 ILE 11 6.033 -9.267 3.031
64 HG13 ILE 11 HG13 ILE 11 6.052 -7.633 3.684
65 HG21 ILE 11 HG21 ILE 11 4.129 -10.734 5.885
66 HG22 ILE 11 HG22 ILE 11 5.877 -10.781 5.642
67 HG23 ILE 11 HG23 ILE 11 4.793 -11.096 4.289
68 HD11 ILE 11 HD11 ILE 11 7.509 -9.999 4.809
69 HD12 ILE 11 HD12 ILE 11 7.515 -8.369 5.478
70 HD13 ILE 11 HD13 ILE 11 8.230 -8.671 3.893
71 H GLY 12 H GLY 12 1.427 -9.950 3.916
72 HA2 GLY 12 HA2 GLY 12 0.170 -10.988 5.642
73 HA3 GLY 12 HA3 GLY 12 0.779 -9.768 6.748
74 H TYR 13 H TYR 13 0.030 -8.080 4.060
75 HA TYR 13 HA TYR 13 -2.400 -7.179 5.318
76 HB2 TYR 13 HB2 TYR 13 -0.810 -5.492 4.509
77 HB3 TYR 13 HB3 TYR 13 -0.970 -6.110 2.872
78 HD1 TYR 13 HD1 TYR 13 -3.204 -4.863 5.612
79 HD2 TYR 13 HD2 TYR 13 -2.311 -4.870 1.454
80 HE1 TYR 13 HE1 TYR 13 -5.036 -3.266 5.220
81 HE2 TYR 13 HE2 TYR 13 -4.135 -3.288 1.047
82 HH TYR 13 HH TYR 13 -5.971 -2.311 1.951
83 H SER 14 H SER 14 -4.186 -8.223 4.949
84 HA SER 14 HA SER 14 -4.640 -9.608 2.431
85 HB2 SER 14 HB2 SER 14 -6.176 -9.595 5.026
86 HB3 SER 14 HB3 SER 14 -6.547 -10.612 3.632
87 HG SER 14 HG SER 14 -3.977 -10.871 4.188
88 H GLY 15 H GLY 15 -5.029 -6.580 3.307
89 HA2 GLY 15 HA2 GLY 15 -7.781 -6.114 2.569
90 HA3 GLY 15 HA3 GLY 15 -6.554 -4.888 2.863
91 HA PRO 16 HA PRO 16 -7.432 -5.264 -1.716
92 HB2 PRO 16 HB2 PRO 16 -7.821 -2.338 -1.448
93 HB3 PRO 16 HB3 PRO 16 -8.828 -3.524 -2.284
94 HG2 PRO 16 HG2 PRO 16 -9.627 -2.428 0.007
95 HG3 PRO 16 HG3 PRO 16 -9.942 -4.138 -0.337
96 HD2 PRO 16 HD2 PRO 16 -7.789 -2.920 1.362
97 HD3 PRO 16 HD3 PRO 16 -8.822 -4.318 1.716
98 H THR 17 H THR 17 -5.626 -5.251 -2.880
99 HA THR 17 HA THR 17 -3.404 -3.590 -2.002
100 HB THR 17 HB THR 17 -2.054 -5.142 -3.405
101 HG1 THR 17 HG1 THR 17 -3.007 -6.407 -4.675
102 HG21 THR 17 HG21 THR 17 -2.250 -7.079 -1.895
103 HG22 THR 17 HG22 THR 17 -3.796 -6.458 -1.311
104 HG23 THR 17 HG23 THR 17 -2.313 -5.555 -1.009
105 H VAL 18 H VAL 18 -5.790 -3.595 -4.246
106 HA VAL 18 HA VAL 18 -4.204 -2.281 -6.330
107 HB VAL 18 HB VAL 18 -7.122 -3.128 -6.409
108 HG11 VAL 18 HG11 VAL 18 -6.649 -1.245 -7.898
109 HG12 VAL 18 HG12 VAL 18 -6.976 -2.709 -8.821
110 HG13 VAL 18 HG13 VAL 18 -5.316 -2.142 -8.627
111 HG21 VAL 18 HG21 VAL 18 -5.624 -5.061 -6.314
112 HG22 VAL 18 HG22 VAL 18 -4.707 -4.422 -7.679
113 HG23 VAL 18 HG23 VAL 18 -6.384 -4.926 -7.900
114 H CYS 19 H CYS 19 -3.956 -0.198 -5.984
115 HA CYS 19 HA CYS 19 -5.687 1.332 -4.323
116 HB2 CYS 19 HB2 CYS 19 -3.453 2.203 -6.150
117 HB3 CYS 19 HB3 CYS 19 -4.169 3.122 -4.836
118 H ALA 20 H ALA 20 -6.769 3.246 -5.030
119 HA ALA 20 HA ALA 20 -8.238 3.078 -7.413
120 HB1 ALA 20 HB1 ALA 20 -8.947 4.479 -5.534
121 HB2 ALA 20 HB2 ALA 20 -8.767 5.464 -6.988
122 HB3 ALA 20 HB3 ALA 20 -7.525 5.501 -5.740
123 H SER 21 H SER 21 -7.559 3.378 -9.455
124 HA SER 21 HA SER 21 -4.912 3.781 -10.043
125 HB2 SER 21 HB2 SER 21 -7.298 4.168 -11.837
126 HB3 SER 21 HB3 SER 21 -5.631 3.924 -12.381
127 HG SER 21 HG SER 21 -5.907 1.993 -10.811
128 H GLY 22 H GLY 22 -3.696 5.411 -10.698
129 HA2 GLY 22 HA2 GLY 22 -3.374 7.722 -11.261
130 HA3 GLY 22 HA3 GLY 22 -4.797 8.100 -10.277
131 H THR 23 H THR 23 -3.916 5.973 -8.314
132 HA THR 23 HA THR 23 -1.734 7.486 -7.108
133 HB THR 23 HB THR 23 -2.384 6.513 -4.957
134 HG1 THR 23 HG1 THR 23 -4.496 5.223 -6.374
135 HG21 THR 23 HG21 THR 23 -4.794 7.578 -6.421
136 HG22 THR 23 HG22 THR 23 -3.556 8.541 -5.612
137 HG23 THR 23 HG23 THR 23 -4.616 7.491 -4.669
138 H THR 24 H THR 24 0.043 6.298 -6.352
139 HA THR 24 HA THR 24 0.281 3.705 -7.693
140 HB THR 24 HB THR 24 2.775 4.106 -7.490
141 HG1 THR 24 HG1 THR 24 1.799 6.418 -6.285
142 HG21 THR 24 HG21 THR 24 1.580 4.499 -9.593
143 HG22 THR 24 HG22 THR 24 2.862 5.694 -9.370
144 HG23 THR 24 HG23 THR 24 1.182 6.135 -9.067
145 H CYS 25 H CYS 25 0.617 1.930 -6.499
146 HA CYS 25 HA CYS 25 0.659 2.152 -3.652
147 HB2 CYS 25 HB2 CYS 25 -0.515 0.279 -4.647
148 HB3 CYS 25 HB3 CYS 25 0.946 -0.244 -5.485
149 H GLN 26 H GLN 26 2.419 2.854 -2.740
150 HA GLN 26 HA GLN 26 4.978 2.082 -3.887
151 HB2 GLN 26 HB2 GLN 26 4.242 4.362 -2.063
152 HB3 GLN 26 HB3 GLN 26 5.864 4.044 -2.648
153 HG2 GLN 26 HG2 GLN 26 5.014 4.341 -4.973
154 HG3 GLN 26 HG3 GLN 26 3.447 4.763 -4.300
155 HE21 GLN 26 HE21 GLN 26 3.500 6.781 -5.209
156 HE22 GLN 26 HE22 GLN 26 4.509 8.055 -4.598
157 H VAL 27 H VAL 27 5.897 0.485 -2.923
158 HA VAL 27 HA VAL 27 5.300 -0.318 -0.247
159 HB VAL 27 HB VAL 27 7.610 -1.207 -2.020
160 HG11 VAL 27 HG11 VAL 27 6.381 -2.533 0.401
161 HG12 VAL 27 HG12 VAL 27 7.938 -1.724 0.349
162 HG13 VAL 27 HG13 VAL 27 7.682 -3.199 -0.591
163 HG21 VAL 27 HG21 VAL 27 6.211 -3.144 -2.596
164 HG22 VAL 27 HG22 VAL 27 5.460 -1.631 -3.108
165 HG23 VAL 27 HG23 VAL 27 4.883 -2.457 -1.662
166 H LEU 28 H LEU 28 5.904 0.939 1.303
167 HA LEU 28 HA LEU 28 8.266 2.631 1.073
168 HB2 LEU 28 HB2 LEU 28 6.103 2.512 3.177
169 HB3 LEU 28 HB3 LEU 28 7.373 3.717 3.091
170 HG LEU 28 HG LEU 28 5.225 3.337 0.994
171 HD11 LEU 28 HD11 LEU 28 5.516 5.449 3.121
172 HD12 LEU 28 HD12 LEU 28 4.271 4.193 3.054
173 HD13 LEU 28 HD13 LEU 28 4.332 5.444 1.813
174 HD21 LEU 28 HD21 LEU 28 6.026 5.487 0.173
175 HD22 LEU 28 HD22 LEU 28 7.266 4.223 0.090
176 HD23 LEU 28 HD23 LEU 28 7.306 5.432 1.391
177 H ASN 29 H ASN 29 6.878 0.162 3.140
178 HA ASN 29 HA ASN 29 9.529 -0.469 4.226
179 HB2 ASN 29 HB2 ASN 29 6.902 -0.591 5.776
180 HB3 ASN 29 HB3 ASN 29 8.467 -1.062 6.375
181 HD21 ASN 29 HD21 ASN 29 7.618 1.940 4.725
182 HD22 ASN 29 HD22 ASN 29 7.941 2.986 6.065
183 HA PRO 30 HA PRO 30 8.316 -4.560 2.897
184 HB2 PRO 30 HB2 PRO 30 8.603 -5.645 5.647
185 HB3 PRO 30 HB3 PRO 30 9.370 -6.179 4.147
186 HG2 PRO 30 HG2 PRO 30 10.790 -4.843 5.931
187 HG3 PRO 30 HG3 PRO 30 10.966 -4.482 4.204
188 HD2 PRO 30 HD2 PRO 30 9.437 -2.983 6.302
189 HD3 PRO 30 HD3 PRO 30 10.488 -2.350 5.016
190 H TYR 31 H TYR 31 6.733 -3.456 5.868
191 HA TYR 31 HA TYR 31 4.444 -5.154 5.108
192 HB2 TYR 31 HB2 TYR 31 4.872 -3.816 7.789
193 HB3 TYR 31 HB3 TYR 31 3.686 -5.039 7.381
194 HD1 TYR 31 HD1 TYR 31 7.259 -4.439 8.053
195 HD2 TYR 31 HD2 TYR 31 4.271 -7.358 7.329
196 HE1 TYR 31 HE1 TYR 31 8.823 -6.189 8.759
197 HE2 TYR 31 HE2 TYR 31 5.826 -9.120 8.026
198 HH TYR 31 HH TYR 31 8.673 -8.502 9.677
199 H TYR 32 H TYR 32 5.525 -1.919 5.641
200 HA TYR 32 HA TYR 32 2.831 -0.894 5.316
201 HB2 TYR 32 HB2 TYR 32 4.311 0.084 7.064
202 HB3 TYR 32 HB3 TYR 32 5.369 0.650 5.780
203 HD1 TYR 32 HD1 TYR 32 5.196 2.904 5.320
204 HD2 TYR 32 HD2 TYR 32 1.709 0.721 6.454
205 HE1 TYR 32 HE1 TYR 32 3.901 4.929 5.168
206 HE2 TYR 32 HE2 TYR 32 0.371 2.762 6.287
207 HH TYR 32 HH TYR 32 1.609 5.674 4.920
208 H SER 33 H SER 33 2.092 -0.600 3.364
209 HA SER 33 HA SER 33 3.826 0.610 1.331
210 HB2 SER 33 HB2 SER 33 1.701 -1.514 0.810
211 HB3 SER 33 HB3 SER 33 2.802 -0.810 -0.375
212 HG SER 33 HG SER 33 3.522 -2.892 0.382
213 H GLN 34 H GLN 34 2.725 2.305 0.254
214 HA GLN 34 HA GLN 34 -0.035 2.735 1.131
215 HB2 GLN 34 HB2 GLN 34 1.214 4.028 2.679
216 HB3 GLN 34 HB3 GLN 34 2.263 4.656 1.421
217 HG2 GLN 34 HG2 GLN 34 0.472 6.012 0.546
218 HG3 GLN 34 HG3 GLN 34 -0.665 5.279 1.670
219 HE21 GLN 34 HE21 GLN 34 -0.765 6.005 3.735
220 HE22 GLN 34 HE22 GLN 34 0.147 7.346 4.309
221 H CYS 35 H CYS 35 -1.381 3.615 -0.289
222 HA CYS 35 HA CYS 35 -0.575 3.893 -3.043
223 HB2 CYS 35 HB2 CYS 35 -3.212 4.677 -1.807
224 HB3 CYS 35 HB3 CYS 35 -2.867 4.360 -3.502
225 H LEU 36 H LEU 36 0.522 5.640 -3.596
226 HA LEU 36 HA LEU 36 -0.369 8.254 -2.626
227 HB2 LEU 36 HB2 LEU 36 2.405 7.323 -3.346
228 HB3 LEU 36 HB3 LEU 36 1.983 8.993 -3.029
229 HG LEU 36 HG LEU 36 1.730 6.754 -1.026
230 HD11 LEU 36 HD11 LEU 36 3.613 7.817 0.088
231 HD12 LEU 36 HD12 LEU 36 3.773 8.965 -1.245
232 HD13 LEU 36 HD13 LEU 36 4.068 7.246 -1.516
233 HD21 LEU 36 HD21 LEU 36 1.408 9.733 -0.752
234 HD22 LEU 36 HD22 LEU 36 1.348 8.554 0.555
235 HD23 LEU 36 HD23 LEU 36 0.109 8.540 -0.691
236 H1 MAN 101 H1 MAN 101 -8.756 6.067 2.719
237 H2 MAN 101 H2 MAN 101 -6.746 5.178 3.939
238 H3 MAN 101 H3 MAN 101 -6.922 2.924 2.991
239 H4 MAN 101 H4 MAN 101 -9.226 2.606 4.947
240 H5 MAN 101 H5 MAN 101 -9.246 2.470 1.880
241 H61 MAN 101 H61 MAN 101 -11.023 1.217 3.133
242 H62 MAN 101 H62 MAN 101 -11.649 2.477 2.043
243 HO2 MAN 101 HO2 MAN 101 -8.586 5.874 5.172
244 HO3 MAN 101 HO3 MAN 101 -6.602 1.789 5.000
245 HO4 MAN 101 HO4 MAN 101 -9.222 0.473 3.956
246 HO6 MAN 101 HO6 MAN 101 -11.410 3.846 4.088
Start of MODEL 14
1 H1 THR 1 H1 THR 1 -10.906 -1.370 -5.981
2 H2 THR 1 H2 THR 1 -11.455 -0.323 -4.771
3 H3 THR 1 H3 THR 1 -10.716 -1.770 -4.336
4 HA THR 1 HA THR 1 -8.665 -0.960 -5.359
5 HB THR 1 HB THR 1 -8.621 1.559 -5.654
6 HG1 THR 1 HG1 THR 1 -10.546 2.239 -4.802
7 HG21 THR 1 HG21 THR 1 -8.563 0.007 -7.574
8 HG22 THR 1 HG22 THR 1 -9.454 1.485 -7.949
9 HG23 THR 1 HG23 THR 1 -10.330 0.002 -7.601
10 H GLN 2 H GLN 2 -7.197 0.281 -4.062
11 HA GLN 2 HA GLN 2 -8.090 0.657 -1.327
12 HB2 GLN 2 HB2 GLN 2 -6.103 -0.788 -1.883
13 HB3 GLN 2 HB3 GLN 2 -5.310 0.633 -2.512
14 HG2 GLN 2 HG2 GLN 2 -4.614 -0.095 -0.208
15 HG3 GLN 2 HG3 GLN 2 -5.089 1.593 -0.370
16 HE21 GLN 2 HE21 GLN 2 -6.682 2.320 0.798
17 HE22 GLN 2 HE22 GLN 2 -7.636 1.379 1.915
18 H SER 3 H SER 3 -8.150 2.610 -0.429
19 HA SER 3 HA SER 3 -8.275 4.879 -2.043
20 HB2 SER 3 HB2 SER 3 -8.764 6.029 0.090
21 HB3 SER 3 HB3 SER 3 -9.702 4.545 -0.099
22 H HIS 4 H HIS 4 -7.168 6.809 -1.705
23 HA HIS 4 HA HIS 4 -4.342 6.658 -1.898
24 HB2 HIS 4 HB2 HIS 4 -5.867 8.413 -2.939
25 HB3 HIS 4 HB3 HIS 4 -6.054 9.095 -1.339
26 HD1 HIS 4 HD1 HIS 4 -5.046 11.346 -2.182
27 HD2 HIS 4 HD2 HIS 4 -2.481 8.107 -2.503
28 HE1 HIS 4 HE1 HIS 4 -2.812 12.322 -2.689
29 HE2 HIS 4 HE2 HIS 4 -1.421 10.323 -3.281
30 H TYR 5 H TYR 5 -2.814 6.869 -0.309
31 HA TYR 5 HA TYR 5 -1.845 7.043 1.651
32 HB2 TYR 5 HB2 TYR 5 -4.286 8.594 2.372
33 HB3 TYR 5 HB3 TYR 5 -3.107 8.196 3.623
34 HD1 TYR 5 HD1 TYR 5 -0.787 9.009 3.356
35 HD2 TYR 5 HD2 TYR 5 -3.914 10.393 0.848
36 HE1 TYR 5 HE1 TYR 5 0.584 10.930 2.740
37 HE2 TYR 5 HE2 TYR 5 -2.541 12.338 0.216
38 HH TYR 5 HH TYR 5 0.815 12.541 1.117
39 H GLY 6 H GLY 6 -4.186 5.102 0.953
40 HA2 GLY 6 HA2 GLY 6 -4.472 3.798 3.525
41 HA3 GLY 6 HA3 GLY 6 -5.154 3.289 1.984
42 H GLN 7 H GLN 7 -3.684 1.678 3.868
43 HA GLN 7 HA GLN 7 -1.078 1.181 2.837
44 HB2 GLN 7 HB2 GLN 7 -1.889 0.583 5.145
45 HB3 GLN 7 HB3 GLN 7 -2.893 -0.658 4.417
46 HG2 GLN 7 HG2 GLN 7 -0.893 -1.791 3.599
47 HG3 GLN 7 HG3 GLN 7 0.121 -0.548 4.328
48 HE21 GLN 7 HE21 GLN 7 0.165 -3.342 4.933
49 HE22 GLN 7 HE22 GLN 7 -0.319 -3.527 6.574
50 H CYS 8 H CYS 8 -0.618 0.077 1.012
51 HA CYS 8 HA CYS 8 -2.894 -1.166 -0.378
52 HB2 CYS 8 HB2 CYS 8 -1.592 -0.818 -2.415
53 HB3 CYS 8 HB3 CYS 8 -1.981 0.661 -1.545
54 H GLY 9 H GLY 9 -0.702 -2.441 1.484
55 HA2 GLY 9 HA2 GLY 9 -0.861 -4.963 1.149
56 HA3 GLY 9 HA3 GLY 9 -0.329 -4.610 -0.480
57 H GLY 10 H GLY 10 0.585 -4.460 2.848
58 HA2 GLY 10 HA2 GLY 10 3.365 -4.830 2.029
59 HA3 GLY 10 HA3 GLY 10 2.815 -4.436 3.670
60 H ILE 11 H ILE 11 4.401 -6.562 3.621
61 HA ILE 11 HA ILE 11 3.065 -8.995 3.154
62 HB ILE 11 HB ILE 11 5.297 -8.386 5.125
63 HG12 ILE 11 HG12 ILE 11 5.416 -9.520 2.318
64 HG13 ILE 11 HG13 ILE 11 5.864 -7.881 2.777
65 HG21 ILE 11 HG21 ILE 11 5.768 -10.796 5.072
66 HG22 ILE 11 HG22 ILE 11 4.346 -11.048 4.062
67 HG23 ILE 11 HG23 ILE 11 4.160 -10.456 5.713
68 HD11 ILE 11 HD11 ILE 11 7.215 -10.400 3.716
69 HD12 ILE 11 HD12 ILE 11 7.677 -8.752 4.147
70 HD13 ILE 11 HD13 ILE 11 7.812 -9.298 2.474
71 H GLY 12 H GLY 12 1.253 -9.611 4.096
72 HA2 GLY 12 HA2 GLY 12 0.277 -10.455 6.163
73 HA3 GLY 12 HA3 GLY 12 0.895 -9.023 6.957
74 H TYR 13 H TYR 13 -0.094 -7.830 4.122
75 HA TYR 13 HA TYR 13 -2.653 -7.052 5.326
76 HB2 TYR 13 HB2 TYR 13 -1.053 -5.257 4.629
77 HB3 TYR 13 HB3 TYR 13 -1.231 -5.802 2.970
78 HD1 TYR 13 HD1 TYR 13 -3.349 -4.693 5.837
79 HD2 TYR 13 HD2 TYR 13 -2.778 -4.630 1.621
80 HE1 TYR 13 HE1 TYR 13 -5.241 -3.139 5.605
81 HE2 TYR 13 HE2 TYR 13 -4.684 -3.065 1.394
82 HH TYR 13 HH TYR 13 -6.339 -2.052 2.432
83 H SER 14 H SER 14 -4.286 -8.301 4.768
84 HA SER 14 HA SER 14 -4.398 -9.451 2.095
85 HB2 SER 14 HB2 SER 14 -6.058 -9.992 4.551
86 HB3 SER 14 HB3 SER 14 -6.011 -10.965 3.080
87 HG SER 14 HG SER 14 -4.648 -11.472 5.066
88 H GLY 15 H GLY 15 -5.088 -6.617 2.985
89 HA2 GLY 15 HA2 GLY 15 -7.929 -6.479 2.299
90 HA3 GLY 15 HA3 GLY 15 -6.940 -5.133 2.869
91 HA PRO 16 HA PRO 16 -7.559 -4.689 -1.751
92 HB2 PRO 16 HB2 PRO 16 -7.513 -1.848 -0.859
93 HB3 PRO 16 HB3 PRO 16 -8.591 -2.637 -2.017
94 HG2 PRO 16 HG2 PRO 16 -9.450 -1.997 0.405
95 HG3 PRO 16 HG3 PRO 16 -9.933 -3.532 -0.343
96 HD2 PRO 16 HD2 PRO 16 -7.878 -3.019 1.780
97 HD3 PRO 16 HD3 PRO 16 -9.053 -4.345 1.639
98 H THR 17 H THR 17 -5.659 -5.024 -2.692
99 HA THR 17 HA THR 17 -3.328 -3.547 -1.806
100 HB THR 17 HB THR 17 -2.169 -5.406 -3.149
101 HG1 THR 17 HG1 THR 17 -3.428 -7.245 -3.431
102 HG21 THR 17 HG21 THR 17 -2.319 -6.951 -1.249
103 HG22 THR 17 HG22 THR 17 -3.791 -6.135 -0.708
104 HG23 THR 17 HG23 THR 17 -2.256 -5.275 -0.686
105 H VAL 18 H VAL 18 -5.598 -3.381 -4.105
106 HA VAL 18 HA VAL 18 -3.757 -2.367 -6.179
107 HB VAL 18 HB VAL 18 -6.684 -3.152 -6.479
108 HG11 VAL 18 HG11 VAL 18 -6.081 -1.366 -8.028
109 HG12 VAL 18 HG12 VAL 18 -6.321 -2.885 -8.894
110 HG13 VAL 18 HG13 VAL 18 -4.689 -2.298 -8.579
111 HG21 VAL 18 HG21 VAL 18 -5.237 -5.099 -6.161
112 HG22 VAL 18 HG22 VAL 18 -4.192 -4.547 -7.465
113 HG23 VAL 18 HG23 VAL 18 -5.851 -5.035 -7.811
114 H CYS 19 H CYS 19 -3.509 -0.224 -6.103
115 HA CYS 19 HA CYS 19 -5.188 1.436 -4.554
116 HB2 CYS 19 HB2 CYS 19 -2.964 2.089 -6.471
117 HB3 CYS 19 HB3 CYS 19 -3.709 3.209 -5.338
118 H ALA 20 H ALA 20 -6.301 3.305 -5.266
119 HA ALA 20 HA ALA 20 -8.048 2.894 -7.438
120 HB1 ALA 20 HB1 ALA 20 -7.482 5.426 -5.888
121 HB2 ALA 20 HB2 ALA 20 -8.668 4.195 -5.455
122 HB3 ALA 20 HB3 ALA 20 -8.878 5.140 -6.928
123 H SER 21 H SER 21 -8.280 4.175 -9.342
124 HA SER 21 HA SER 21 -6.024 4.362 -10.915
125 HB2 SER 21 HB2 SER 21 -8.621 5.875 -11.252
126 HB3 SER 21 HB3 SER 21 -7.486 5.425 -12.529
127 HG SER 21 HG SER 21 -7.882 3.196 -11.672
128 H GLY 22 H GLY 22 -4.380 5.746 -10.858
129 HA2 GLY 22 HA2 GLY 22 -3.605 8.009 -11.149
130 HA3 GLY 22 HA3 GLY 22 -4.870 8.534 -10.048
131 H THR 23 H THR 23 -4.160 6.041 -8.381
132 HA THR 23 HA THR 23 -1.880 7.312 -7.057
133 HB THR 23 HB THR 23 -2.607 6.180 -4.990
134 HG1 THR 23 HG1 THR 23 -4.543 5.108 -6.724
135 HG21 THR 23 HG21 THR 23 -3.352 8.463 -5.406
136 HG22 THR 23 HG22 THR 23 -4.606 7.559 -4.558
137 HG23 THR 23 HG23 THR 23 -4.753 7.860 -6.289
138 H THR 24 H THR 24 -0.159 6.049 -6.376
139 HA THR 24 HA THR 24 -0.062 3.414 -7.673
140 HB THR 24 HB THR 24 2.431 3.742 -7.664
141 HG1 THR 24 HG1 THR 24 1.637 6.212 -6.547
142 HG21 THR 24 HG21 THR 24 0.819 5.793 -9.182
143 HG22 THR 24 HG22 THR 24 1.083 4.125 -9.678
144 HG23 THR 24 HG23 THR 24 2.442 5.249 -9.609
145 H CYS 25 H CYS 25 0.804 1.674 -6.532
146 HA CYS 25 HA CYS 25 0.703 2.001 -3.671
147 HB2 CYS 25 HB2 CYS 25 -0.374 0.057 -4.614
148 HB3 CYS 25 HB3 CYS 25 1.135 -0.459 -5.375
149 H GLN 26 H GLN 26 2.423 2.731 -2.705
150 HA GLN 26 HA GLN 26 5.020 1.968 -3.778
151 HB2 GLN 26 HB2 GLN 26 4.226 4.276 -2.015
152 HB3 GLN 26 HB3 GLN 26 5.858 3.964 -2.582
153 HG2 GLN 26 HG2 GLN 26 5.034 4.196 -4.918
154 HG3 GLN 26 HG3 GLN 26 3.446 4.600 -4.282
155 HE21 GLN 26 HE21 GLN 26 3.419 6.581 -5.222
156 HE22 GLN 26 HE22 GLN 26 4.412 7.898 -4.719
157 H VAL 27 H VAL 27 5.851 0.315 -2.763
158 HA VAL 27 HA VAL 27 5.132 -0.354 -0.070
159 HB VAL 27 HB VAL 27 7.316 -1.549 -1.815
160 HG11 VAL 27 HG11 VAL 27 5.967 -2.667 0.630
161 HG12 VAL 27 HG12 VAL 27 7.617 -2.059 0.535
162 HG13 VAL 27 HG13 VAL 27 7.157 -3.508 -0.366
163 HG21 VAL 27 HG21 VAL 27 5.709 -3.334 -2.347
164 HG22 VAL 27 HG22 VAL 27 5.150 -1.757 -2.915
165 HG23 VAL 27 HG23 VAL 27 4.461 -2.461 -1.455
166 H LEU 28 H LEU 28 5.834 0.978 1.372
167 HA LEU 28 HA LEU 28 8.288 2.473 1.075
168 HB2 LEU 28 HB2 LEU 28 6.205 2.454 3.263
169 HB3 LEU 28 HB3 LEU 28 7.513 3.613 3.117
170 HG LEU 28 HG LEU 28 5.319 3.280 1.060
171 HD11 LEU 28 HD11 LEU 28 5.630 5.390 3.190
172 HD12 LEU 28 HD12 LEU 28 4.381 4.137 3.128
173 HD13 LEU 28 HD13 LEU 28 4.434 5.387 1.894
174 HD21 LEU 28 HD21 LEU 28 7.443 5.345 1.444
175 HD22 LEU 28 HD22 LEU 28 6.153 5.420 0.235
176 HD23 LEU 28 HD23 LEU 28 7.381 4.145 0.148
177 H ASN 29 H ASN 29 6.950 -0.011 3.111
178 HA ASN 29 HA ASN 29 9.622 -0.725 4.037
179 HB2 ASN 29 HB2 ASN 29 7.143 -0.552 5.820
180 HB3 ASN 29 HB3 ASN 29 8.710 -1.181 6.293
181 HD21 ASN 29 HD21 ASN 29 6.875 1.696 5.631
182 HD22 ASN 29 HD22 ASN 29 7.990 2.823 6.267
183 HA PRO 30 HA PRO 30 8.314 -4.752 2.777
184 HB2 PRO 30 HB2 PRO 30 8.695 -5.815 5.534
185 HB3 PRO 30 HB3 PRO 30 9.359 -6.400 4.006
186 HG2 PRO 30 HG2 PRO 30 10.898 -5.066 5.691
187 HG3 PRO 30 HG3 PRO 30 11.016 -4.760 3.950
188 HD2 PRO 30 HD2 PRO 30 9.680 -3.144 6.080
189 HD3 PRO 30 HD3 PRO 30 10.630 -2.584 4.689
190 H TYR 31 H TYR 31 6.865 -3.616 5.764
191 HA TYR 31 HA TYR 31 4.525 -5.288 5.138
192 HB2 TYR 31 HB2 TYR 31 5.166 -4.009 7.811
193 HB3 TYR 31 HB3 TYR 31 3.924 -5.208 7.473
194 HD1 TYR 31 HD1 TYR 31 4.554 -7.574 7.084
195 HD2 TYR 31 HD2 TYR 31 7.451 -4.643 8.064
196 HE1 TYR 31 HE1 TYR 31 6.182 -9.364 7.596
197 HE2 TYR 31 HE2 TYR 31 9.069 -6.396 8.580
198 HH TYR 31 HH TYR 31 8.627 -9.639 7.713
199 H TYR 32 H TYR 32 5.640 -2.028 5.597
200 HA TYR 32 HA TYR 32 2.929 -1.016 5.371
201 HB2 TYR 32 HB2 TYR 32 4.370 -0.018 7.101
202 HB3 TYR 32 HB3 TYR 32 5.465 0.528 5.837
203 HD1 TYR 32 HD1 TYR 32 5.315 2.801 5.367
204 HD2 TYR 32 HD2 TYR 32 1.785 0.645 6.431
205 HE1 TYR 32 HE1 TYR 32 4.031 4.834 5.187
206 HE2 TYR 32 HE2 TYR 32 0.475 2.712 6.240
207 HH TYR 32 HH TYR 32 0.757 5.055 6.283
208 H SER 33 H SER 33 2.128 -0.692 3.425
209 HA SER 33 HA SER 33 3.832 0.537 1.377
210 HB2 SER 33 HB2 SER 33 1.625 -1.492 0.887
211 HB3 SER 33 HB3 SER 33 2.732 -0.821 -0.311
212 HG SER 33 HG SER 33 3.296 -2.957 0.445
213 H GLN 34 H GLN 34 2.707 2.256 0.299
214 HA GLN 34 HA GLN 34 -0.030 2.687 1.229
215 HB2 GLN 34 HB2 GLN 34 1.241 4.010 2.754
216 HB3 GLN 34 HB3 GLN 34 2.251 4.647 1.469
217 HG2 GLN 34 HG2 GLN 34 0.403 5.950 0.612
218 HG3 GLN 34 HG3 GLN 34 -0.672 5.203 1.789
219 HE21 GLN 34 HE21 GLN 34 -0.816 6.063 3.803
220 HE22 GLN 34 HE22 GLN 34 0.137 7.390 4.349
221 H CYS 35 H CYS 35 -1.407 3.529 -0.202
222 HA CYS 35 HA CYS 35 -0.619 3.805 -2.945
223 HB2 CYS 35 HB2 CYS 35 -3.240 4.467 -1.592
224 HB3 CYS 35 HB3 CYS 35 -2.956 4.504 -3.329
225 H LEU 36 H LEU 36 0.383 5.511 -3.642
226 HA LEU 36 HA LEU 36 -0.497 8.138 -2.751
227 HB2 LEU 36 HB2 LEU 36 2.314 7.208 -3.306
228 HB3 LEU 36 HB3 LEU 36 1.861 8.894 -3.166
229 HG LEU 36 HG LEU 36 1.564 6.847 -0.965
230 HD11 LEU 36 HD11 LEU 36 3.409 8.013 0.096
231 HD12 LEU 36 HD12 LEU 36 3.562 9.060 -1.315
232 HD13 LEU 36 HD13 LEU 36 3.899 7.334 -1.457
233 HD21 LEU 36 HD21 LEU 36 1.173 9.838 -0.994
234 HD22 LEU 36 HD22 LEU 36 1.135 8.817 0.441
235 HD23 LEU 36 HD23 LEU 36 -0.092 8.619 -0.807
236 H1 MAN 101 H1 MAN 101 -9.302 5.842 2.327
237 H2 MAN 101 H2 MAN 101 -7.271 5.220 3.621
238 H3 MAN 101 H3 MAN 101 -7.202 2.874 3.012
239 H4 MAN 101 H4 MAN 101 -9.710 2.703 4.744
240 H5 MAN 101 H5 MAN 101 -9.363 2.233 1.717
241 H61 MAN 101 H61 MAN 101 -11.731 2.071 3.617
242 H62 MAN 101 H62 MAN 101 -11.105 0.754 2.600
243 HO2 MAN 101 HO2 MAN 101 -9.206 5.963 4.670
244 HO3 MAN 101 HO3 MAN 101 -6.810 2.072 5.119
245 HO4 MAN 101 HO4 MAN 101 -8.353 0.924 4.953
246 HO6 MAN 101 HO6 MAN 101 -11.966 3.237 1.512
Start of MODEL 15
1 H1 THR 1 H1 THR 1 -11.278 -1.340 -5.857
2 H2 THR 1 H2 THR 1 -11.713 -0.173 -4.718
3 H3 THR 1 H3 THR 1 -11.034 -1.633 -4.179
4 HA THR 1 HA THR 1 -9.007 -0.941 -5.349
5 HB THR 1 HB THR 1 -9.115 1.646 -5.730
6 HG1 THR 1 HG1 THR 1 -11.267 2.227 -6.478
7 HG21 THR 1 HG21 THR 1 -10.400 -0.293 -7.674
8 HG22 THR 1 HG22 THR 1 -8.664 -0.019 -7.497
9 HG23 THR 1 HG23 THR 1 -9.704 1.276 -8.087
10 H GLN 2 H GLN 2 -7.462 0.039 -4.074
11 HA GLN 2 HA GLN 2 -8.257 0.591 -1.375
12 HB2 GLN 2 HB2 GLN 2 -6.328 -0.892 -1.803
13 HB3 GLN 2 HB3 GLN 2 -5.516 0.410 -2.656
14 HG2 GLN 2 HG2 GLN 2 -4.708 0.100 -0.356
15 HG3 GLN 2 HG3 GLN 2 -5.361 1.705 -0.678
16 HE21 GLN 2 HE21 GLN 2 -5.961 2.212 1.196
17 HE22 GLN 2 HE22 GLN 2 -7.167 1.462 2.208
18 H SER 3 H SER 3 -7.994 2.565 -0.343
19 HA SER 3 HA SER 3 -8.300 4.795 -2.051
20 HB2 SER 3 HB2 SER 3 -8.716 6.005 -0.011
21 HB3 SER 3 HB3 SER 3 -9.596 4.481 0.031
22 H HIS 4 H HIS 4 -7.199 6.737 -1.679
23 HA HIS 4 HA HIS 4 -4.351 6.615 -1.977
24 HB2 HIS 4 HB2 HIS 4 -5.884 8.298 -3.061
25 HB3 HIS 4 HB3 HIS 4 -6.138 9.023 -1.486
26 HD1 HIS 4 HD1 HIS 4 -5.241 11.248 -2.530
27 HD2 HIS 4 HD2 HIS 4 -2.458 8.178 -2.438
28 HE1 HIS 4 HE1 HIS 4 -3.038 12.330 -3.038
29 HE2 HIS 4 HE2 HIS 4 -1.436 10.408 -3.247
30 H TYR 5 H TYR 5 -2.806 6.887 -0.429
31 HA TYR 5 HA TYR 5 -1.800 7.101 1.499
32 HB2 TYR 5 HB2 TYR 5 -4.184 8.742 2.177
33 HB3 TYR 5 HB3 TYR 5 -3.064 8.303 3.459
34 HD1 TYR 5 HD1 TYR 5 -3.514 10.333 0.417
35 HD2 TYR 5 HD2 TYR 5 -0.835 9.166 3.493
36 HE1 TYR 5 HE1 TYR 5 -2.011 12.190 -0.183
37 HE2 TYR 5 HE2 TYR 5 0.655 10.992 2.922
38 HH TYR 5 HH TYR 5 1.173 12.381 1.050
39 H GLY 6 H GLY 6 -4.085 5.129 0.888
40 HA2 GLY 6 HA2 GLY 6 -4.295 3.969 3.540
41 HA3 GLY 6 HA3 GLY 6 -5.130 3.466 2.091
42 H GLN 7 H GLN 7 -3.749 1.672 3.728
43 HA GLN 7 HA GLN 7 -1.143 1.183 2.690
44 HB2 GLN 7 HB2 GLN 7 -1.964 0.597 5.010
45 HB3 GLN 7 HB3 GLN 7 -2.928 -0.674 4.277
46 HG2 GLN 7 HG2 GLN 7 -0.916 -1.780 3.508
47 HG3 GLN 7 HG3 GLN 7 0.076 -0.475 4.158
48 HE21 GLN 7 HE21 GLN 7 0.203 -3.257 4.851
49 HE22 GLN 7 HE22 GLN 7 -0.144 -3.349 6.532
50 H CYS 8 H CYS 8 -0.643 -0.043 0.963
51 HA CYS 8 HA CYS 8 -2.946 -1.179 -0.491
52 HB2 CYS 8 HB2 CYS 8 -1.589 -0.871 -2.496
53 HB3 CYS 8 HB3 CYS 8 -2.000 0.617 -1.650
54 H GLY 9 H GLY 9 -0.498 -2.394 1.281
55 HA2 GLY 9 HA2 GLY 9 -0.783 -4.955 0.890
56 HA3 GLY 9 HA3 GLY 9 -0.124 -4.551 -0.681
57 H GLY 10 H GLY 10 0.493 -4.599 2.708
58 HA2 GLY 10 HA2 GLY 10 3.349 -4.828 2.138
59 HA3 GLY 10 HA3 GLY 10 2.637 -4.555 3.737
60 H ILE 11 H ILE 11 4.324 -6.616 3.616
61 HA ILE 11 HA ILE 11 3.271 -9.104 2.889
62 HB ILE 11 HB ILE 11 5.023 -8.545 5.297
63 HG12 ILE 11 HG12 ILE 11 5.894 -9.177 2.470
64 HG13 ILE 11 HG13 ILE 11 5.935 -7.567 3.182
65 HG21 ILE 11 HG21 ILE 11 4.077 -10.787 5.255
66 HG22 ILE 11 HG22 ILE 11 5.817 -10.838 4.967
67 HG23 ILE 11 HG23 ILE 11 4.693 -11.036 3.619
68 HD11 ILE 11 HD11 ILE 11 7.445 -9.970 4.151
69 HD12 ILE 11 HD12 ILE 11 7.495 -8.363 4.875
70 HD13 ILE 11 HD13 ILE 11 8.126 -8.614 3.244
71 H GLY 12 H GLY 12 1.443 -10.024 3.585
72 HA2 GLY 12 HA2 GLY 12 0.170 -11.075 5.252
73 HA3 GLY 12 HA3 GLY 12 0.815 -9.941 6.426
74 H TYR 13 H TYR 13 -0.037 -8.094 3.863
75 HA TYR 13 HA TYR 13 -2.346 -7.097 5.264
76 HB2 TYR 13 HB2 TYR 13 -0.732 -5.581 4.150
77 HB3 TYR 13 HB3 TYR 13 -1.217 -6.240 2.596
78 HD1 TYR 13 HD1 TYR 13 -2.817 -5.071 1.372
79 HD2 TYR 13 HD2 TYR 13 -2.716 -4.576 5.593
80 HE1 TYR 13 HE1 TYR 13 -4.528 -3.328 1.209
81 HE2 TYR 13 HE2 TYR 13 -4.432 -2.830 5.434
82 HH TYR 13 HH TYR 13 -6.120 -2.173 2.478
83 H SER 14 H SER 14 -4.237 -8.028 5.127
84 HA SER 14 HA SER 14 -4.914 -9.557 2.760
85 HB2 SER 14 HB2 SER 14 -6.211 -9.424 5.485
86 HB3 SER 14 HB3 SER 14 -6.684 -10.518 4.180
87 HG SER 14 HG SER 14 -4.403 -11.158 4.218
88 H GLY 15 H GLY 15 -5.276 -6.465 3.643
89 HA2 GLY 15 HA2 GLY 15 -7.996 -6.099 2.776
90 HA3 GLY 15 HA3 GLY 15 -6.841 -4.823 3.159
91 HA PRO 16 HA PRO 16 -7.557 -5.109 -1.503
92 HB2 PRO 16 HB2 PRO 16 -7.769 -2.168 -1.119
93 HB3 PRO 16 HB3 PRO 16 -8.804 -3.247 -2.064
94 HG2 PRO 16 HG2 PRO 16 -9.661 -2.240 0.229
95 HG3 PRO 16 HG3 PRO 16 -10.001 -3.933 -0.186
96 HD2 PRO 16 HD2 PRO 16 -7.903 -2.824 1.649
97 HD3 PRO 16 HD3 PRO 16 -8.993 -4.206 1.900
98 H THR 17 H THR 17 -5.788 -5.152 -2.752
99 HA THR 17 HA THR 17 -3.434 -3.587 -1.960
100 HB THR 17 HB THR 17 -2.275 -5.345 -3.408
101 HG1 THR 17 HG1 THR 17 -3.611 -6.639 -4.395
102 HG21 THR 17 HG21 THR 17 -2.159 -5.337 -0.973
103 HG22 THR 17 HG22 THR 17 -2.298 -6.996 -1.563
104 HG23 THR 17 HG23 THR 17 -3.705 -6.173 -0.878
105 H VAL 18 H VAL 18 -5.844 -3.510 -4.172
106 HA VAL 18 HA VAL 18 -4.110 -2.523 -6.315
107 HB VAL 18 HB VAL 18 -7.083 -3.162 -6.389
108 HG11 VAL 18 HG11 VAL 18 -5.231 -2.350 -8.640
109 HG12 VAL 18 HG12 VAL 18 -6.513 -1.357 -7.943
110 HG13 VAL 18 HG13 VAL 18 -6.919 -2.838 -8.811
111 HG21 VAL 18 HG21 VAL 18 -5.650 -5.144 -6.220
112 HG22 VAL 18 HG22 VAL 18 -4.739 -4.593 -7.626
113 HG23 VAL 18 HG23 VAL 18 -6.432 -5.044 -7.797
114 H CYS 19 H CYS 19 -3.677 -0.460 -6.124
115 HA CYS 19 HA CYS 19 -5.132 1.339 -4.538
116 HB2 CYS 19 HB2 CYS 19 -2.987 1.748 -6.600
117 HB3 CYS 19 HB3 CYS 19 -3.618 3.019 -5.565
118 H ALA 20 H ALA 20 -6.256 3.194 -5.133
119 HA ALA 20 HA ALA 20 -8.057 2.998 -7.267
120 HB1 ALA 20 HB1 ALA 20 -8.507 4.310 -5.250
121 HB2 ALA 20 HB2 ALA 20 -8.646 5.316 -6.692
122 HB3 ALA 20 HB3 ALA 20 -7.210 5.425 -5.675
123 H SER 21 H SER 21 -8.158 4.239 -9.187
124 HA SER 21 HA SER 21 -5.773 4.305 -10.628
125 HB2 SER 21 HB2 SER 21 -8.380 5.687 -11.254
126 HB3 SER 21 HB3 SER 21 -7.123 5.225 -12.408
127 HG SER 21 HG SER 21 -7.449 3.043 -11.553
128 H GLY 22 H GLY 22 -4.236 5.713 -10.769
129 HA2 GLY 22 HA2 GLY 22 -3.523 7.983 -11.067
130 HA3 GLY 22 HA3 GLY 22 -4.774 8.473 -9.927
131 H THR 23 H THR 23 -3.972 5.929 -8.359
132 HA THR 23 HA THR 23 -1.704 7.229 -7.039
133 HB THR 23 HB THR 23 -2.367 6.079 -4.952
134 HG1 THR 23 HG1 THR 23 -4.367 4.941 -6.612
135 HG21 THR 23 HG21 THR 23 -3.273 8.289 -5.344
136 HG22 THR 23 HG22 THR 23 -4.459 7.291 -4.508
137 HG23 THR 23 HG23 THR 23 -4.628 7.601 -6.239
138 H THR 24 H THR 24 0.006 5.938 -6.274
139 HA THR 24 HA THR 24 0.227 3.387 -7.691
140 HB THR 24 HB THR 24 2.737 3.842 -7.536
141 HG1 THR 24 HG1 THR 24 1.724 6.208 -6.420
142 HG21 THR 24 HG21 THR 24 2.749 5.339 -9.489
143 HG22 THR 24 HG22 THR 24 1.065 5.759 -9.176
144 HG23 THR 24 HG23 THR 24 1.490 4.112 -9.639
145 H CYS 25 H CYS 25 0.962 1.623 -6.523
146 HA CYS 25 HA CYS 25 0.786 1.901 -3.653
147 HB2 CYS 25 HB2 CYS 25 -0.233 -0.067 -4.668
148 HB3 CYS 25 HB3 CYS 25 1.311 -0.590 -5.327
149 H GLN 26 H GLN 26 2.450 2.791 -2.714
150 HA GLN 26 HA GLN 26 5.092 2.093 -3.685
151 HB2 GLN 26 HB2 GLN 26 4.129 4.430 -2.060
152 HB3 GLN 26 HB3 GLN 26 5.818 4.141 -2.455
153 HG2 GLN 26 HG2 GLN 26 5.277 4.272 -4.837
154 HG3 GLN 26 HG3 GLN 26 3.586 4.551 -4.435
155 HE21 GLN 26 HE21 GLN 26 3.545 6.482 -5.467
156 HE22 GLN 26 HE22 GLN 26 4.320 7.904 -4.848
157 H VAL 27 H VAL 27 6.035 0.590 -2.662
158 HA VAL 27 HA VAL 27 5.450 -0.204 0.002
159 HB VAL 27 HB VAL 27 7.787 -0.948 -1.803
160 HG11 VAL 27 HG11 VAL 27 6.754 -2.298 0.683
161 HG12 VAL 27 HG12 VAL 27 8.270 -1.416 0.542
162 HG13 VAL 27 HG13 VAL 27 8.034 -2.916 -0.362
163 HG21 VAL 27 HG21 VAL 27 6.522 -2.984 -2.279
164 HG22 VAL 27 HG22 VAL 27 5.644 -1.540 -2.788
165 HG23 VAL 27 HG23 VAL 27 5.182 -2.374 -1.305
166 H LEU 28 H LEU 28 5.961 1.102 1.564
167 HA LEU 28 HA LEU 28 8.287 2.847 1.373
168 HB2 LEU 28 HB2 LEU 28 6.087 2.706 3.439
169 HB3 LEU 28 HB3 LEU 28 7.312 3.960 3.338
170 HG LEU 28 HG LEU 28 5.170 3.437 1.263
171 HD11 LEU 28 HD11 LEU 28 5.451 5.662 3.259
172 HD12 LEU 28 HD12 LEU 28 4.218 4.390 3.258
173 HD13 LEU 28 HD13 LEU 28 4.264 5.584 1.961
174 HD21 LEU 28 HD21 LEU 28 5.935 5.524 0.269
175 HD22 LEU 28 HD22 LEU 28 7.208 4.293 0.283
176 HD23 LEU 28 HD23 LEU 28 7.218 5.597 1.477
177 H ASN 29 H ASN 29 6.999 0.159 3.102
178 HA ASN 29 HA ASN 29 9.605 -0.511 4.185
179 HB2 ASN 29 HB2 ASN 29 7.038 -0.517 5.848
180 HB3 ASN 29 HB3 ASN 29 8.591 -1.155 6.338
181 HD21 ASN 29 HD21 ASN 29 6.750 1.759 5.800
182 HD22 ASN 29 HD22 ASN 29 7.806 2.821 6.646
183 HA PRO 30 HA PRO 30 8.303 -4.427 2.571
184 HB2 PRO 30 HB2 PRO 30 8.674 -5.713 5.231
185 HB3 PRO 30 HB3 PRO 30 9.362 -6.161 3.666
186 HG2 PRO 30 HG2 PRO 30 10.878 -4.969 5.479
187 HG3 PRO 30 HG3 PRO 30 11.005 -4.508 3.773
188 HD2 PRO 30 HD2 PRO 30 9.615 -3.105 6.018
189 HD3 PRO 30 HD3 PRO 30 10.592 -2.408 4.713
190 H TYR 31 H TYR 31 6.912 -3.605 5.689
191 HA TYR 31 HA TYR 31 4.553 -5.207 4.984
192 HB2 TYR 31 HB2 TYR 31 5.330 -4.042 7.670
193 HB3 TYR 31 HB3 TYR 31 3.943 -5.080 7.359
194 HD1 TYR 31 HD1 TYR 31 7.639 -4.972 7.448
195 HD2 TYR 31 HD2 TYR 31 4.196 -7.466 7.246
196 HE1 TYR 31 HE1 TYR 31 9.046 -6.916 7.840
197 HE2 TYR 31 HE2 TYR 31 5.601 -9.429 7.645
198 HH TYR 31 HH TYR 31 8.785 -9.232 8.713
199 H TYR 32 H TYR 32 5.635 -1.953 5.555
200 HA TYR 32 HA TYR 32 2.900 -0.993 5.355
201 HB2 TYR 32 HB2 TYR 32 4.284 -0.022 7.124
202 HB3 TYR 32 HB3 TYR 32 5.407 0.574 5.909
203 HD1 TYR 32 HD1 TYR 32 1.739 0.661 6.565
204 HD2 TYR 32 HD2 TYR 32 5.221 2.838 5.390
205 HE1 TYR 32 HE1 TYR 32 0.426 2.719 6.462
206 HE2 TYR 32 HE2 TYR 32 3.931 4.868 5.305
207 HH TYR 32 HH TYR 32 0.759 5.055 6.593
208 H SER 33 H SER 33 2.113 -0.599 3.429
209 HA SER 33 HA SER 33 3.835 0.647 1.416
210 HB2 SER 33 HB2 SER 33 1.774 -1.518 0.859
211 HB3 SER 33 HB3 SER 33 2.857 -0.767 -0.313
212 HG SER 33 HG SER 33 3.472 -2.904 0.550
213 H GLN 34 H GLN 34 2.721 2.316 0.366
214 HA GLN 34 HA GLN 34 -0.073 2.682 1.177
215 HB2 GLN 34 HB2 GLN 34 1.147 4.007 2.745
216 HB3 GLN 34 HB3 GLN 34 2.195 4.638 1.494
217 HG2 GLN 34 HG2 GLN 34 0.379 5.953 0.583
218 HG3 GLN 34 HG3 GLN 34 -0.739 5.234 1.738
219 HE21 GLN 34 HE21 GLN 34 -0.873 6.071 3.752
220 HE22 GLN 34 HE22 GLN 34 0.086 7.385 4.321
221 H CYS 35 H CYS 35 -1.409 3.485 -0.329
222 HA CYS 35 HA CYS 35 -0.493 3.776 -3.040
223 HB2 CYS 35 HB2 CYS 35 -3.200 4.452 -1.862
224 HB3 CYS 35 HB3 CYS 35 -2.810 4.399 -3.574
225 H LEU 36 H LEU 36 0.624 5.501 -3.564
226 HA LEU 36 HA LEU 36 -0.322 8.107 -2.653
227 HB2 LEU 36 HB2 LEU 36 2.489 7.193 -3.223
228 HB3 LEU 36 HB3 LEU 36 2.044 8.879 -3.057
229 HG LEU 36 HG LEU 36 1.738 6.793 -0.899
230 HD11 LEU 36 HD11 LEU 36 4.080 7.303 -1.335
231 HD12 LEU 36 HD12 LEU 36 3.554 7.970 0.212
232 HD13 LEU 36 HD13 LEU 36 3.737 9.031 -1.188
233 HD21 LEU 36 HD21 LEU 36 1.294 9.774 -0.895
234 HD22 LEU 36 HD22 LEU 36 1.281 8.741 0.532
235 HD23 LEU 36 HD23 LEU 36 0.059 8.525 -0.714
236 H1 MAN 101 H1 MAN 101 -8.881 6.147 2.212
237 H2 MAN 101 H2 MAN 101 -6.739 5.512 3.365
238 H3 MAN 101 H3 MAN 101 -6.937 3.080 3.133
239 H4 MAN 101 H4 MAN 101 -9.232 3.343 5.101
240 H5 MAN 101 H5 MAN 101 -9.171 2.434 2.165
241 H61 MAN 101 H61 MAN 101 -10.892 1.342 3.581
242 H62 MAN 101 H62 MAN 101 -11.601 2.385 2.329
243 HO2 MAN 101 HO2 MAN 101 -9.162 5.307 4.864
244 HO3 MAN 101 HO3 MAN 101 -6.636 2.555 5.322
245 HO4 MAN 101 HO4 MAN 101 -9.222 1.046 4.766
246 HO6 MAN 101 HO6 MAN 101 -11.634 4.070 4.020
Start of MODEL 16
1 H1 THR 1 H1 THR 1 -11.294 -1.087 -4.328
2 H2 THR 1 H2 THR 1 -11.424 -0.626 -5.963
3 H3 THR 1 H3 THR 1 -11.634 0.518 -4.730
4 HA THR 1 HA THR 1 -9.153 -0.906 -5.304
5 HB THR 1 HB THR 1 -8.425 1.487 -5.843
6 HG1 THR 1 HG1 THR 1 -10.300 2.734 -6.736
7 HG21 THR 1 HG21 THR 1 -9.180 1.344 -8.178
8 HG22 THR 1 HG22 THR 1 -10.383 0.143 -7.714
9 HG23 THR 1 HG23 THR 1 -8.665 -0.233 -7.577
10 H GLN 2 H GLN 2 -7.348 0.128 -4.119
11 HA GLN 2 HA GLN 2 -8.169 0.711 -1.427
12 HB2 GLN 2 HB2 GLN 2 -6.312 -0.880 -1.770
13 HB3 GLN 2 HB3 GLN 2 -5.396 0.363 -2.610
14 HG2 GLN 2 HG2 GLN 2 -4.676 0.062 -0.280
15 HG3 GLN 2 HG3 GLN 2 -5.260 1.686 -0.633
16 HE21 GLN 2 HE21 GLN 2 -5.933 2.265 1.198
17 HE22 GLN 2 HE22 GLN 2 -7.194 1.540 2.169
18 H SER 3 H SER 3 -7.875 2.659 -0.400
19 HA SER 3 HA SER 3 -8.049 4.873 -2.126
20 HB2 SER 3 HB2 SER 3 -8.541 6.111 -0.086
21 HB3 SER 3 HB3 SER 3 -9.476 4.613 -0.148
22 H HIS 4 H HIS 4 -6.964 6.789 -1.747
23 HA HIS 4 HA HIS 4 -4.130 6.697 -1.934
24 HB2 HIS 4 HB2 HIS 4 -5.687 8.407 -2.987
25 HB3 HIS 4 HB3 HIS 4 -5.892 9.113 -1.405
26 HD1 HIS 4 HD1 HIS 4 -4.911 11.367 -2.223
27 HD2 HIS 4 HD2 HIS 4 -2.310 8.178 -2.573
28 HE1 HIS 4 HE1 HIS 4 -2.690 12.388 -2.784
29 HE2 HIS 4 HE2 HIS 4 -1.211 10.446 -3.265
30 H TYR 5 H TYR 5 -2.641 6.931 -0.311
31 HA TYR 5 HA TYR 5 -1.681 7.208 1.669
32 HB2 TYR 5 HB2 TYR 5 -4.228 8.591 2.389
33 HB3 TYR 5 HB3 TYR 5 -2.932 8.401 3.583
34 HD1 TYR 5 HD1 TYR 5 -4.329 10.423 1.045
35 HD2 TYR 5 HD2 TYR 5 -0.622 9.380 2.825
36 HE1 TYR 5 HE1 TYR 5 -3.335 12.486 0.165
37 HE2 TYR 5 HE2 TYR 5 0.386 11.439 1.953
38 HH TYR 5 HH TYR 5 -1.410 13.973 0.830
39 H GLY 6 H GLY 6 -3.956 5.196 0.962
40 HA2 GLY 6 HA2 GLY 6 -4.257 3.958 3.584
41 HA3 GLY 6 HA3 GLY 6 -5.024 3.488 2.082
42 H GLN 7 H GLN 7 -3.793 1.615 3.726
43 HA GLN 7 HA GLN 7 -1.130 1.104 2.792
44 HB2 GLN 7 HB2 GLN 7 -2.044 0.478 5.080
45 HB3 GLN 7 HB3 GLN 7 -2.990 -0.764 4.277
46 HG2 GLN 7 HG2 GLN 7 -0.942 -1.855 3.532
47 HG3 GLN 7 HG3 GLN 7 0.028 -0.602 4.307
48 HE21 GLN 7 HE21 GLN 7 0.124 -3.423 4.871
49 HE22 GLN 7 HE22 GLN 7 -0.383 -3.647 6.489
50 H CYS 8 H CYS 8 -0.648 0.062 0.949
51 HA CYS 8 HA CYS 8 -2.886 -1.157 -0.519
52 HB2 CYS 8 HB2 CYS 8 -1.481 -0.867 -2.501
53 HB3 CYS 8 HB3 CYS 8 -1.944 0.625 -1.699
54 H GLY 9 H GLY 9 -0.532 -2.382 1.331
55 HA2 GLY 9 HA2 GLY 9 -0.759 -4.912 1.033
56 HA3 GLY 9 HA3 GLY 9 -0.245 -4.580 -0.609
57 H GLY 10 H GLY 10 0.675 -4.555 2.708
58 HA2 GLY 10 HA2 GLY 10 3.460 -4.806 1.888
59 HA3 GLY 10 HA3 GLY 10 2.880 -4.557 3.540
60 H ILE 11 H ILE 11 4.457 -6.589 3.525
61 HA ILE 11 HA ILE 11 3.352 -9.068 2.773
62 HB ILE 11 HB ILE 11 5.219 -8.506 5.099
63 HG12 ILE 11 HG12 ILE 11 5.881 -9.255 2.247
64 HG13 ILE 11 HG13 ILE 11 6.050 -7.641 2.926
65 HG21 ILE 11 HG21 ILE 11 5.920 -10.855 4.797
66 HG22 ILE 11 HG22 ILE 11 4.688 -11.050 3.548
67 HG23 ILE 11 HG23 ILE 11 4.209 -10.723 5.213
68 HD11 ILE 11 HD11 ILE 11 7.514 -10.104 3.813
69 HD12 ILE 11 HD12 ILE 11 7.692 -8.497 4.519
70 HD13 ILE 11 HD13 ILE 11 8.189 -8.789 2.850
71 H GLY 12 H GLY 12 1.501 -9.939 3.509
72 HA2 GLY 12 HA2 GLY 12 0.286 -10.975 5.226
73 HA3 GLY 12 HA3 GLY 12 1.023 -9.866 6.372
74 H TYR 13 H TYR 13 -0.039 -8.191 3.668
75 HA TYR 13 HA TYR 13 -2.140 -7.031 5.262
76 HB2 TYR 13 HB2 TYR 13 -0.684 -5.580 3.880
77 HB3 TYR 13 HB3 TYR 13 -1.336 -6.349 2.434
78 HD1 TYR 13 HD1 TYR 13 -2.767 -4.917 1.284
79 HD2 TYR 13 HD2 TYR 13 -2.862 -4.907 5.533
80 HE1 TYR 13 HE1 TYR 13 -4.565 -3.264 1.242
81 HE2 TYR 13 HE2 TYR 13 -4.658 -3.251 5.499
82 HH TYR 13 HH TYR 13 -6.166 -2.252 2.494
83 H SER 14 H SER 14 -4.064 -7.802 5.363
84 HA SER 14 HA SER 14 -5.034 -9.763 3.526
85 HB2 SER 14 HB2 SER 14 -6.933 -9.674 5.268
86 HB3 SER 14 HB3 SER 14 -5.337 -10.240 5.779
87 HG SER 14 HG SER 14 -6.651 -7.833 6.370
88 H GLY 15 H GLY 15 -5.140 -6.469 3.418
89 HA2 GLY 15 HA2 GLY 15 -7.958 -6.248 2.591
90 HA3 GLY 15 HA3 GLY 15 -6.883 -4.915 2.950
91 HA PRO 16 HA PRO 16 -7.335 -5.278 -1.681
92 HB2 PRO 16 HB2 PRO 16 -7.648 -2.360 -1.472
93 HB3 PRO 16 HB3 PRO 16 -8.685 -3.539 -2.273
94 HG2 PRO 16 HG2 PRO 16 -9.435 -2.300 -0.016
95 HG3 PRO 16 HG3 PRO 16 -9.885 -3.978 -0.370
96 HD2 PRO 16 HD2 PRO 16 -7.729 -2.945 1.439
97 HD3 PRO 16 HD3 PRO 16 -8.870 -4.279 1.692
98 H THR 17 H THR 17 -5.530 -5.233 -2.849
99 HA THR 17 HA THR 17 -3.311 -3.571 -1.966
100 HB THR 17 HB THR 17 -2.008 -5.185 -3.438
101 HG1 THR 17 HG1 THR 17 -3.025 -6.952 -4.144
102 HG21 THR 17 HG21 THR 17 -2.029 -6.942 -1.722
103 HG22 THR 17 HG22 THR 17 -3.574 -6.324 -1.120
104 HG23 THR 17 HG23 THR 17 -2.122 -5.336 -0.986
105 H VAL 18 H VAL 18 -5.686 -3.522 -4.194
106 HA VAL 18 HA VAL 18 -4.039 -2.472 -6.381
107 HB VAL 18 HB VAL 18 -7.006 -3.123 -6.362
108 HG11 VAL 18 HG11 VAL 18 -6.895 -2.892 -8.794
109 HG12 VAL 18 HG12 VAL 18 -5.202 -2.431 -8.682
110 HG13 VAL 18 HG13 VAL 18 -6.445 -1.384 -7.998
111 HG21 VAL 18 HG21 VAL 18 -6.380 -5.053 -7.751
112 HG22 VAL 18 HG22 VAL 18 -5.670 -5.132 -6.140
113 HG23 VAL 18 HG23 VAL 18 -4.678 -4.649 -7.513
114 H CYS 19 H CYS 19 -3.633 -0.378 -6.169
115 HA CYS 19 HA CYS 19 -5.129 1.342 -4.538
116 HB2 CYS 19 HB2 CYS 19 -2.956 1.846 -6.552
117 HB3 CYS 19 HB3 CYS 19 -3.619 3.070 -5.475
118 H ALA 20 H ALA 20 -6.191 3.245 -5.118
119 HA ALA 20 HA ALA 20 -8.082 3.042 -7.163
120 HB1 ALA 20 HB1 ALA 20 -7.148 5.506 -5.686
121 HB2 ALA 20 HB2 ALA 20 -8.416 4.400 -5.155
122 HB3 ALA 20 HB3 ALA 20 -8.640 5.359 -6.620
123 H SER 21 H SER 21 -8.274 4.120 -9.091
124 HA SER 21 HA SER 21 -6.019 4.260 -10.690
125 HB2 SER 21 HB2 SER 21 -8.683 5.616 -11.078
126 HB3 SER 21 HB3 SER 21 -7.561 5.113 -12.345
127 HG SER 21 HG SER 21 -7.878 2.942 -11.165
128 H GLY 22 H GLY 22 -4.488 5.767 -10.773
129 HA2 GLY 22 HA2 GLY 22 -3.874 8.091 -11.031
130 HA3 GLY 22 HA3 GLY 22 -5.125 8.489 -9.858
131 H THR 23 H THR 23 -4.075 5.877 -8.416
132 HA THR 23 HA THR 23 -1.796 7.227 -7.173
133 HB THR 23 HB THR 23 -2.389 6.063 -5.047
134 HG1 THR 23 HG1 THR 23 -4.427 5.009 -6.669
135 HG21 THR 23 HG21 THR 23 -4.369 7.404 -4.490
136 HG22 THR 23 HG22 THR 23 -4.634 7.713 -6.207
137 HG23 THR 23 HG23 THR 23 -3.190 8.338 -5.410
138 H THR 24 H THR 24 -0.030 5.896 -6.492
139 HA THR 24 HA THR 24 -0.032 3.250 -7.761
140 HB THR 24 HB THR 24 2.474 3.533 -7.915
141 HG1 THR 24 HG1 THR 24 1.841 5.971 -6.710
142 HG21 THR 24 HG21 THR 24 2.438 5.029 -9.870
143 HG22 THR 24 HG22 THR 24 0.837 5.594 -9.400
144 HG23 THR 24 HG23 THR 24 1.070 3.914 -9.888
145 H CYS 25 H CYS 25 0.855 1.508 -6.543
146 HA CYS 25 HA CYS 25 0.773 1.951 -3.726
147 HB2 CYS 25 HB2 CYS 25 -0.193 -0.070 -4.649
148 HB3 CYS 25 HB3 CYS 25 1.355 -0.552 -5.332
149 H GLN 26 H GLN 26 2.421 2.752 -2.709
150 HA GLN 26 HA GLN 26 5.081 2.183 -3.739
151 HB2 GLN 26 HB2 GLN 26 4.086 4.425 -1.998
152 HB3 GLN 26 HB3 GLN 26 5.768 4.196 -2.442
153 HG2 GLN 26 HG2 GLN 26 5.114 4.398 -4.824
154 HG3 GLN 26 HG3 GLN 26 3.464 4.725 -4.306
155 HE21 GLN 26 HE21 GLN 26 3.398 6.710 -5.205
156 HE22 GLN 26 HE22 GLN 26 4.316 8.048 -4.626
157 H VAL 27 H VAL 27 6.103 0.698 -2.728
158 HA VAL 27 HA VAL 27 5.422 -0.198 -0.112
159 HB VAL 27 HB VAL 27 7.918 -0.807 -1.743
160 HG11 VAL 27 HG11 VAL 27 6.682 -2.296 0.570
161 HG12 VAL 27 HG12 VAL 27 8.192 -1.391 0.601
162 HG13 VAL 27 HG13 VAL 27 8.058 -2.850 -0.381
163 HG21 VAL 27 HG21 VAL 27 5.913 -1.411 -2.998
164 HG22 VAL 27 HG22 VAL 27 5.305 -2.325 -1.618
165 HG23 VAL 27 HG23 VAL 27 6.762 -2.857 -2.455
166 H LEU 28 H LEU 28 5.859 0.969 1.583
167 HA LEU 28 HA LEU 28 8.099 2.830 1.545
168 HB2 LEU 28 HB2 LEU 28 5.746 2.591 3.409
169 HB3 LEU 28 HB3 LEU 28 6.994 3.817 3.530
170 HG LEU 28 HG LEU 28 5.073 3.495 1.219
171 HD11 LEU 28 HD11 LEU 28 4.172 5.622 1.976
172 HD12 LEU 28 HD12 LEU 28 5.225 5.556 3.398
173 HD13 LEU 28 HD13 LEU 28 3.959 4.341 3.166
174 HD21 LEU 28 HD21 LEU 28 7.198 5.519 1.781
175 HD22 LEU 28 HD22 LEU 28 5.994 5.636 0.485
176 HD23 LEU 28 HD23 LEU 28 7.189 4.327 0.472
177 H ASN 29 H ASN 29 6.878 0.019 3.144
178 HA ASN 29 HA ASN 29 9.444 -0.514 4.339
179 HB2 ASN 29 HB2 ASN 29 6.849 -0.504 5.955
180 HB3 ASN 29 HB3 ASN 29 8.399 -1.077 6.533
181 HD21 ASN 29 HD21 ASN 29 6.421 1.664 5.925
182 HD22 ASN 29 HD22 ASN 29 7.409 2.851 6.675
183 HA PRO 30 HA PRO 30 8.327 -4.601 2.972
184 HB2 PRO 30 HB2 PRO 30 8.467 -5.661 5.748
185 HB3 PRO 30 HB3 PRO 30 9.279 -6.233 4.284
186 HG2 PRO 30 HG2 PRO 30 10.627 -4.881 6.110
187 HG3 PRO 30 HG3 PRO 30 10.909 -4.572 4.387
188 HD2 PRO 30 HD2 PRO 30 9.367 -2.968 6.376
189 HD3 PRO 30 HD3 PRO 30 10.428 -2.411 5.067
190 H TYR 31 H TYR 31 6.619 -3.700 5.987
191 HA TYR 31 HA TYR 31 4.379 -5.344 5.029
192 HB2 TYR 31 HB2 TYR 31 4.718 -4.151 7.800
193 HB3 TYR 31 HB3 TYR 31 3.539 -5.345 7.298
194 HD1 TYR 31 HD1 TYR 31 7.036 -4.788 8.215
195 HD2 TYR 31 HD2 TYR 31 4.186 -7.687 6.991
196 HE1 TYR 31 HE1 TYR 31 8.581 -6.554 8.864
197 HE2 TYR 31 HE2 TYR 31 5.732 -9.482 7.637
198 HH TYR 31 HH TYR 31 8.156 -9.757 7.907
199 H TYR 32 H TYR 32 5.377 -2.108 5.745
200 HA TYR 32 HA TYR 32 2.670 -1.157 5.303
201 HB2 TYR 32 HB2 TYR 32 3.890 -0.191 7.191
202 HB3 TYR 32 HB3 TYR 32 5.094 0.452 6.077
203 HD1 TYR 32 HD1 TYR 32 4.851 2.698 5.395
204 HD2 TYR 32 HD2 TYR 32 1.412 0.463 6.586
205 HE1 TYR 32 HE1 TYR 32 3.487 4.675 5.150
206 HE2 TYR 32 HE2 TYR 32 0.027 2.459 6.318
207 HH TYR 32 HH TYR 32 1.167 5.325 4.807
208 H SER 33 H SER 33 2.016 -0.770 3.349
209 HA SER 33 HA SER 33 3.816 0.610 1.489
210 HB2 SER 33 HB2 SER 33 1.753 -1.504 0.756
211 HB3 SER 33 HB3 SER 33 2.834 -0.668 -0.359
212 HG SER 33 HG SER 33 3.441 -2.861 0.391
213 H GLN 34 H GLN 34 2.685 2.271 0.301
214 HA GLN 34 HA GLN 34 -0.072 2.704 1.194
215 HB2 GLN 34 HB2 GLN 34 1.207 4.031 2.692
216 HB3 GLN 34 HB3 GLN 34 2.234 4.622 1.401
217 HG2 GLN 34 HG2 GLN 34 0.413 5.959 0.524
218 HG3 GLN 34 HG3 GLN 34 -0.680 5.287 1.727
219 HE21 GLN 34 HE21 GLN 34 -0.703 6.127 3.779
220 HE22 GLN 34 HE22 GLN 34 0.307 7.434 4.260
221 H CYS 35 H CYS 35 -1.433 3.471 -0.292
222 HA CYS 35 HA CYS 35 -0.598 3.695 -3.026
223 HB2 CYS 35 HB2 CYS 35 -3.252 4.385 -1.755
224 HB3 CYS 35 HB3 CYS 35 -2.932 4.369 -3.483
225 H LEU 36 H LEU 36 0.469 5.363 -3.699
226 HA LEU 36 HA LEU 36 -0.482 8.032 -3.046
227 HB2 LEU 36 HB2 LEU 36 2.380 7.110 -3.250
228 HB3 LEU 36 HB3 LEU 36 1.882 8.788 -3.171
229 HG LEU 36 HG LEU 36 1.406 6.758 -1.000
230 HD11 LEU 36 HD11 LEU 36 3.154 7.951 0.216
231 HD12 LEU 36 HD12 LEU 36 3.450 8.957 -1.204
232 HD13 LEU 36 HD13 LEU 36 3.776 7.223 -1.263
233 HD21 LEU 36 HD21 LEU 36 -0.249 8.534 -0.999
234 HD22 LEU 36 HD22 LEU 36 1.024 9.748 -1.079
235 HD23 LEU 36 HD23 LEU 36 0.861 8.736 0.357
236 H1 MAN 101 H1 MAN 101 -8.950 6.158 2.136
237 H2 MAN 101 H2 MAN 101 -6.850 5.625 3.350
238 H3 MAN 101 H3 MAN 101 -6.858 3.231 2.947
239 H4 MAN 101 H4 MAN 101 -9.176 3.218 4.912
240 H5 MAN 101 H5 MAN 101 -9.122 2.486 1.909
241 H61 MAN 101 H61 MAN 101 -11.305 2.567 4.029
242 H62 MAN 101 H62 MAN 101 -10.779 1.153 3.076
243 HO2 MAN 101 HO2 MAN 101 -9.295 5.116 4.744
244 HO3 MAN 101 HO3 MAN 101 -7.171 3.865 5.696
245 HO4 MAN 101 HO4 MAN 101 -7.666 1.476 5.019
246 HO6 MAN 101 HO6 MAN 101 -11.659 3.464 1.717
Start of MODEL 17
1 H1 THR 1 H1 THR 1 -11.494 0.085 -4.921
2 H2 THR 1 H2 THR 1 -10.969 -1.382 -4.360
3 H3 THR 1 H3 THR 1 -11.099 -1.115 -6.042
4 HA THR 1 HA THR 1 -8.810 -0.947 -5.348
5 HB THR 1 HB THR 1 -8.513 1.538 -5.919
6 HG1 THR 1 HG1 THR 1 -10.831 1.991 -7.023
7 HG21 THR 1 HG21 THR 1 -10.067 -0.237 -7.815
8 HG22 THR 1 HG22 THR 1 -8.318 -0.263 -7.587
9 HG23 THR 1 HG23 THR 1 -9.096 1.159 -8.281
10 H GLN 2 H GLN 2 -7.247 0.076 -4.040
11 HA GLN 2 HA GLN 2 -8.212 0.758 -1.410
12 HB2 GLN 2 HB2 GLN 2 -6.341 -0.808 -1.632
13 HB3 GLN 2 HB3 GLN 2 -5.401 0.406 -2.489
14 HG2 GLN 2 HG2 GLN 2 -4.729 0.178 -0.155
15 HG3 GLN 2 HG3 GLN 2 -5.331 1.790 -0.537
16 HE21 GLN 2 HE21 GLN 2 -6.000 2.343 1.326
17 HE22 GLN 2 HE22 GLN 2 -7.271 1.610 2.274
18 H SER 3 H SER 3 -7.891 2.737 -0.365
19 HA SER 3 HA SER 3 -8.134 4.978 -2.061
20 HB2 SER 3 HB2 SER 3 -8.467 6.215 -0.034
21 HB3 SER 3 HB3 SER 3 -9.398 4.727 0.065
22 H HIS 4 H HIS 4 -7.033 6.949 -1.509
23 HA HIS 4 HA HIS 4 -4.191 6.776 -1.919
24 HB2 HIS 4 HB2 HIS 4 -5.701 8.501 -2.963
25 HB3 HIS 4 HB3 HIS 4 -5.966 9.157 -1.364
26 HD1 HIS 4 HD1 HIS 4 -4.967 11.416 -1.724
27 HD2 HIS 4 HD2 HIS 4 -2.395 8.358 -2.813
28 HE1 HIS 4 HE1 HIS 4 -2.775 12.530 -2.241
29 HE2 HIS 4 HE2 HIS 4 -1.442 10.705 -3.277
30 H TYR 5 H TYR 5 -2.643 6.993 -0.394
31 HA TYR 5 HA TYR 5 -1.594 7.176 1.533
32 HB2 TYR 5 HB2 TYR 5 -3.968 8.808 2.291
33 HB3 TYR 5 HB3 TYR 5 -2.823 8.347 3.551
34 HD1 TYR 5 HD1 TYR 5 -3.491 10.534 0.741
35 HD2 TYR 5 HD2 TYR 5 -0.468 9.148 3.377
36 HE1 TYR 5 HE1 TYR 5 -2.072 12.438 0.113
37 HE2 TYR 5 HE2 TYR 5 0.956 11.040 2.759
38 HH TYR 5 HH TYR 5 -0.231 13.706 1.034
39 H GLY 6 H GLY 6 -3.981 5.269 0.942
40 HA2 GLY 6 HA2 GLY 6 -4.232 4.069 3.570
41 HA3 GLY 6 HA3 GLY 6 -5.043 3.601 2.088
42 H GLN 7 H GLN 7 -3.799 1.738 3.767
43 HA GLN 7 HA GLN 7 -1.170 1.130 2.798
44 HB2 GLN 7 HB2 GLN 7 -2.116 0.567 5.096
45 HB3 GLN 7 HB3 GLN 7 -3.058 -0.683 4.296
46 HG2 GLN 7 HG2 GLN 7 -1.030 -1.786 3.579
47 HG3 GLN 7 HG3 GLN 7 -0.041 -0.532 4.315
48 HE21 GLN 7 HE21 GLN 7 0.073 -3.310 4.937
49 HE22 GLN 7 HE22 GLN 7 -0.389 -3.478 6.575
50 H CYS 8 H CYS 8 -0.742 0.063 0.948
51 HA CYS 8 HA CYS 8 -3.040 -1.137 -0.432
52 HB2 CYS 8 HB2 CYS 8 -1.661 -0.992 -2.447
53 HB3 CYS 8 HB3 CYS 8 -2.084 0.548 -1.719
54 H GLY 9 H GLY 9 -0.431 -2.292 1.286
55 HA2 GLY 9 HA2 GLY 9 -0.832 -4.859 1.115
56 HA3 GLY 9 HA3 GLY 9 -0.368 -4.586 -0.551
57 H GLY 10 H GLY 10 0.702 -4.453 2.731
58 HA2 GLY 10 HA2 GLY 10 3.464 -4.805 1.817
59 HA3 GLY 10 HA3 GLY 10 2.947 -4.443 3.464
60 H ILE 11 H ILE 11 4.493 -6.436 3.588
61 HA ILE 11 HA ILE 11 3.371 -8.987 3.129
62 HB ILE 11 HB ILE 11 5.287 -8.117 5.323
63 HG12 ILE 11 HG12 ILE 11 5.899 -9.351 2.637
64 HG13 ILE 11 HG13 ILE 11 6.094 -7.644 3.017
65 HG21 ILE 11 HG21 ILE 11 4.708 -10.878 4.234
66 HG22 ILE 11 HG22 ILE 11 4.238 -10.262 5.819
67 HG23 ILE 11 HG23 ILE 11 5.943 -10.475 5.429
68 HD11 ILE 11 HD11 ILE 11 7.555 -9.926 4.327
69 HD12 ILE 11 HD12 ILE 11 7.766 -8.215 4.698
70 HD13 ILE 11 HD13 ILE 11 8.218 -8.839 3.105
71 H GLY 12 H GLY 12 1.483 -9.680 3.981
72 HA2 GLY 12 HA2 GLY 12 0.327 -10.438 5.871
73 HA3 GLY 12 HA3 GLY 12 1.065 -9.151 6.801
74 H TYR 13 H TYR 13 -0.027 -7.900 3.897
75 HA TYR 13 HA TYR 13 -2.332 -6.805 5.285
76 HB2 TYR 13 HB2 TYR 13 -0.807 -5.248 4.078
77 HB3 TYR 13 HB3 TYR 13 -1.246 -6.064 2.580
78 HD1 TYR 13 HD1 TYR 13 -2.853 -4.973 1.263
79 HD2 TYR 13 HD2 TYR 13 -2.984 -4.480 5.484
80 HE1 TYR 13 HE1 TYR 13 -4.749 -3.429 1.030
81 HE2 TYR 13 HE2 TYR 13 -4.888 -2.935 5.233
82 HH TYR 13 HH TYR 13 -6.325 -2.290 2.088
83 H SER 14 H SER 14 -4.100 -7.933 5.166
84 HA SER 14 HA SER 14 -4.540 -9.831 3.049
85 HB2 SER 14 HB2 SER 14 -6.208 -9.201 5.469
86 HB3 SER 14 HB3 SER 14 -6.202 -10.690 4.520
87 HG SER 14 HG SER 14 -4.618 -11.364 5.668
88 H GLY 15 H GLY 15 -5.282 -6.616 3.492
89 HA2 GLY 15 HA2 GLY 15 -7.999 -6.647 2.508
90 HA3 GLY 15 HA3 GLY 15 -7.028 -5.224 2.849
91 HA PRO 16 HA PRO 16 -7.431 -5.550 -1.759
92 HB2 PRO 16 HB2 PRO 16 -7.957 -2.900 -2.150
93 HB3 PRO 16 HB3 PRO 16 -9.201 -4.107 -1.799
94 HG2 PRO 16 HG2 PRO 16 -7.934 -2.111 -0.004
95 HG3 PRO 16 HG3 PRO 16 -9.611 -2.671 -0.061
96 HD2 PRO 16 HD2 PRO 16 -7.759 -3.516 1.769
97 HD3 PRO 16 HD3 PRO 16 -9.172 -4.466 1.289
98 H THR 17 H THR 17 -5.679 -5.398 -3.059
99 HA THR 17 HA THR 17 -3.476 -3.722 -2.131
100 HB THR 17 HB THR 17 -2.092 -5.326 -3.534
101 HG1 THR 17 HG1 THR 17 -2.993 -7.099 -4.280
102 HG21 THR 17 HG21 THR 17 -2.056 -7.025 -1.752
103 HG22 THR 17 HG22 THR 17 -3.617 -6.437 -1.170
104 HG23 THR 17 HG23 THR 17 -2.200 -5.397 -1.080
105 H VAL 18 H VAL 18 -5.811 -3.424 -4.318
106 HA VAL 18 HA VAL 18 -4.003 -2.458 -6.416
107 HB VAL 18 HB VAL 18 -6.976 -3.032 -6.633
108 HG11 VAL 18 HG11 VAL 18 -4.945 -2.348 -8.757
109 HG12 VAL 18 HG12 VAL 18 -6.241 -1.300 -8.179
110 HG13 VAL 18 HG13 VAL 18 -6.629 -2.783 -9.053
111 HG21 VAL 18 HG21 VAL 18 -6.322 -4.985 -7.966
112 HG22 VAL 18 HG22 VAL 18 -5.689 -5.087 -6.321
113 HG23 VAL 18 HG23 VAL 18 -4.624 -4.632 -7.647
114 H CYS 19 H CYS 19 -3.575 -0.382 -6.154
115 HA CYS 19 HA CYS 19 -5.143 1.370 -4.627
116 HB2 CYS 19 HB2 CYS 19 -2.900 1.871 -6.561
117 HB3 CYS 19 HB3 CYS 19 -3.594 3.083 -5.494
118 H ALA 20 H ALA 20 -6.296 3.160 -5.237
119 HA ALA 20 HA ALA 20 -8.039 2.904 -7.407
120 HB1 ALA 20 HB1 ALA 20 -8.591 4.097 -5.357
121 HB2 ALA 20 HB2 ALA 20 -8.792 5.132 -6.773
122 HB3 ALA 20 HB3 ALA 20 -7.378 5.319 -5.736
123 H SER 21 H SER 21 -8.310 4.313 -9.192
124 HA SER 21 HA SER 21 -6.052 4.599 -10.790
125 HB2 SER 21 HB2 SER 21 -8.702 6.029 -11.022
126 HB3 SER 21 HB3 SER 21 -7.554 5.724 -12.329
127 HG SER 21 HG SER 21 -7.874 3.397 -11.485
128 H GLY 22 H GLY 22 -4.462 6.025 -10.672
129 HA2 GLY 22 HA2 GLY 22 -3.781 8.328 -10.819
130 HA3 GLY 22 HA3 GLY 22 -5.048 8.716 -9.661
131 H THR 23 H THR 23 -4.053 6.001 -8.379
132 HA THR 23 HA THR 23 -1.851 7.278 -6.916
133 HB THR 23 HB THR 23 -2.552 6.039 -4.903
134 HG1 THR 23 HG1 THR 23 -4.469 5.028 -6.691
135 HG21 THR 23 HG21 THR 23 -4.758 7.702 -6.115
136 HG22 THR 23 HG22 THR 23 -3.374 8.310 -5.205
137 HG23 THR 23 HG23 THR 23 -4.593 7.316 -4.402
138 H THR 24 H THR 24 -0.115 5.973 -6.306
139 HA THR 24 HA THR 24 -0.058 3.374 -7.672
140 HB THR 24 HB THR 24 2.432 3.684 -7.770
141 HG1 THR 24 HG1 THR 24 1.740 6.186 -6.604
142 HG21 THR 24 HG21 THR 24 2.399 5.278 -9.654
143 HG22 THR 24 HG22 THR 24 0.788 5.803 -9.167
144 HG23 THR 24 HG23 THR 24 1.043 4.153 -9.730
145 H CYS 25 H CYS 25 0.762 1.578 -6.542
146 HA CYS 25 HA CYS 25 0.678 1.874 -3.686
147 HB2 CYS 25 HB2 CYS 25 -0.349 -0.093 -4.731
148 HB3 CYS 25 HB3 CYS 25 1.206 -0.575 -5.397
149 H GLN 26 H GLN 26 2.366 2.578 -2.664
150 HA GLN 26 HA GLN 26 4.959 1.916 -3.770
151 HB2 GLN 26 HB2 GLN 26 4.127 4.223 -2.032
152 HB3 GLN 26 HB3 GLN 26 5.766 3.928 -2.596
153 HG2 GLN 26 HG2 GLN 26 4.925 4.074 -4.930
154 HG3 GLN 26 HG3 GLN 26 3.349 4.522 -4.287
155 HE21 GLN 26 HE21 GLN 26 3.401 6.482 -5.338
156 HE22 GLN 26 HE22 GLN 26 4.394 7.781 -4.807
157 H VAL 27 H VAL 27 5.917 0.381 -2.747
158 HA VAL 27 HA VAL 27 5.213 -0.373 -0.067
159 HB VAL 27 HB VAL 27 7.535 -1.378 -1.751
160 HG11 VAL 27 HG11 VAL 27 6.087 -2.662 0.567
161 HG12 VAL 27 HG12 VAL 27 7.698 -1.957 0.614
162 HG13 VAL 27 HG13 VAL 27 7.396 -3.392 -0.360
163 HG21 VAL 27 HG21 VAL 27 5.468 -1.674 -3.002
164 HG22 VAL 27 HG22 VAL 27 4.723 -2.463 -1.611
165 HG23 VAL 27 HG23 VAL 27 6.075 -3.231 -2.440
166 H LEU 28 H LEU 28 5.850 0.933 1.454
167 HA LEU 28 HA LEU 28 8.247 2.551 1.156
168 HB2 LEU 28 HB2 LEU 28 6.094 2.555 3.262
169 HB3 LEU 28 HB3 LEU 28 7.390 3.731 3.143
170 HG LEU 28 HG LEU 28 5.222 3.333 1.067
171 HD11 LEU 28 HD11 LEU 28 5.596 5.484 3.133
172 HD12 LEU 28 HD12 LEU 28 4.307 4.275 3.086
173 HD13 LEU 28 HD13 LEU 28 4.406 5.507 1.832
174 HD21 LEU 28 HD21 LEU 28 7.294 4.136 0.108
175 HD22 LEU 28 HD22 LEU 28 7.371 5.391 1.355
176 HD23 LEU 28 HD23 LEU 28 6.079 5.426 0.151
177 H ASN 29 H ASN 29 6.962 -0.030 3.070
178 HA ASN 29 HA ASN 29 9.578 -0.587 4.194
179 HB2 ASN 29 HB2 ASN 29 7.010 -0.389 5.835
180 HB3 ASN 29 HB3 ASN 29 8.532 -1.012 6.422
181 HD21 ASN 29 HD21 ASN 29 6.750 1.826 5.601
182 HD22 ASN 29 HD22 ASN 29 7.806 2.974 6.322
183 HA PRO 30 HA PRO 30 8.428 -4.758 3.159
184 HB2 PRO 30 HB2 PRO 30 8.401 -5.543 6.016
185 HB3 PRO 30 HB3 PRO 30 9.232 -6.313 4.658
186 HG2 PRO 30 HG2 PRO 30 10.621 -4.849 6.376
187 HG3 PRO 30 HG3 PRO 30 10.946 -4.730 4.637
188 HD2 PRO 30 HD2 PRO 30 9.470 -2.851 6.422
189 HD3 PRO 30 HD3 PRO 30 10.556 -2.489 5.066
190 H TYR 31 H TYR 31 6.680 -3.677 6.102
191 HA TYR 31 HA TYR 31 4.407 -5.308 5.211
192 HB2 TYR 31 HB2 TYR 31 4.644 -3.880 7.874
193 HB3 TYR 31 HB3 TYR 31 3.551 -5.177 7.438
194 HD1 TYR 31 HD1 TYR 31 6.798 -4.337 8.742
195 HD2 TYR 31 HD2 TYR 31 4.490 -7.502 7.096
196 HE1 TYR 31 HE1 TYR 31 8.402 -5.944 9.621
197 HE2 TYR 31 HE2 TYR 31 6.100 -9.135 7.985
198 HH TYR 31 HH TYR 31 8.614 -9.035 8.608
199 H TYR 32 H TYR 32 5.496 -2.063 5.623
200 HA TYR 32 HA TYR 32 2.810 -1.021 5.304
201 HB2 TYR 32 HB2 TYR 32 4.280 -0.034 7.027
202 HB3 TYR 32 HB3 TYR 32 5.345 0.537 5.748
203 HD1 TYR 32 HD1 TYR 32 1.711 0.618 6.541
204 HD2 TYR 32 HD2 TYR 32 5.133 2.752 5.173
205 HE1 TYR 32 HE1 TYR 32 0.380 2.657 6.404
206 HE2 TYR 32 HE2 TYR 32 3.824 4.787 5.037
207 HH TYR 32 HH TYR 32 1.452 5.463 4.825
208 H SER 33 H SER 33 2.047 -0.710 3.400
209 HA SER 33 HA SER 33 3.750 0.497 1.353
210 HB2 SER 33 HB2 SER 33 1.628 -1.622 0.858
211 HB3 SER 33 HB3 SER 33 2.655 -0.868 -0.359
212 HG SER 33 HG SER 33 3.297 -3.008 0.442
213 H GLN 34 H GLN 34 2.632 2.139 0.235
214 HA GLN 34 HA GLN 34 -0.098 2.629 1.170
215 HB2 GLN 34 HB2 GLN 34 1.177 3.906 2.687
216 HB3 GLN 34 HB3 GLN 34 2.274 4.450 1.431
217 HG2 GLN 34 HG2 GLN 34 0.556 5.888 0.521
218 HG3 GLN 34 HG3 GLN 34 -0.606 5.255 1.684
219 HE21 GLN 34 HE21 GLN 34 -0.663 6.081 3.724
220 HE22 GLN 34 HE22 GLN 34 0.383 7.339 4.258
221 H CYS 35 H CYS 35 -1.453 3.476 -0.297
222 HA CYS 35 HA CYS 35 -0.594 3.723 -3.022
223 HB2 CYS 35 HB2 CYS 35 -3.256 4.404 -1.757
224 HB3 CYS 35 HB3 CYS 35 -2.935 4.400 -3.483
225 H LEU 36 H LEU 36 0.573 5.399 -3.536
226 HA LEU 36 HA LEU 36 -0.367 8.033 -2.735
227 HB2 LEU 36 HB2 LEU 36 2.452 7.112 -3.306
228 HB3 LEU 36 HB3 LEU 36 1.990 8.795 -3.141
229 HG LEU 36 HG LEU 36 1.749 6.714 -0.968
230 HD11 LEU 36 HD11 LEU 36 3.594 7.909 0.094
231 HD12 LEU 36 HD12 LEU 36 3.735 8.947 -1.323
232 HD13 LEU 36 HD13 LEU 36 4.067 7.218 -1.458
233 HD21 LEU 36 HD21 LEU 36 1.308 8.664 0.477
234 HD22 LEU 36 HD22 LEU 36 0.063 8.436 -0.740
235 HD23 LEU 36 HD23 LEU 36 1.277 9.698 -0.952
236 H1 MAN 101 H1 MAN 101 -8.532 6.410 2.197
237 H2 MAN 101 H2 MAN 101 -6.452 5.637 3.373
238 H3 MAN 101 H3 MAN 101 -6.776 3.231 3.155
239 H4 MAN 101 H4 MAN 101 -9.121 3.640 5.048
240 H5 MAN 101 H5 MAN 101 -8.998 2.759 2.122
241 H61 MAN 101 H61 MAN 101 -10.834 1.718 3.435
242 H62 MAN 101 H62 MAN 101 -11.395 2.771 2.121
243 HO2 MAN 101 HO2 MAN 101 -8.071 6.834 4.436
244 HO3 MAN 101 HO3 MAN 101 -6.978 4.147 5.843
245 HO4 MAN 101 HO4 MAN 101 -7.856 1.745 5.284
246 HO6 MAN 101 HO6 MAN 101 -11.426 4.478 3.821
Start of MODEL 18
1 H1 THR 1 H1 THR 1 -11.771 0.636 -5.272
2 H2 THR 1 H2 THR 1 -11.504 -0.926 -4.686
3 H3 THR 1 H3 THR 1 -11.565 -0.652 -6.351
4 HA THR 1 HA THR 1 -9.302 -0.883 -5.560
5 HB THR 1 HB THR 1 -8.495 1.445 -6.234
6 HG1 THR 1 HG1 THR 1 -10.294 2.580 -7.380
7 HG21 THR 1 HG21 THR 1 -10.341 -0.056 -8.098
8 HG22 THR 1 HG22 THR 1 -8.633 -0.410 -7.811
9 HG23 THR 1 HG23 THR 1 -9.103 1.108 -8.571
10 H GLN 2 H GLN 2 -7.635 -0.159 -4.185
11 HA GLN 2 HA GLN 2 -8.481 0.607 -1.587
12 HB2 GLN 2 HB2 GLN 2 -6.581 -0.929 -1.947
13 HB3 GLN 2 HB3 GLN 2 -5.701 0.346 -2.773
14 HG2 GLN 2 HG2 GLN 2 -4.946 0.007 -0.477
15 HG3 GLN 2 HG3 GLN 2 -5.566 1.630 -0.766
16 HE21 GLN 2 HE21 GLN 2 -6.197 2.129 1.082
17 HE22 GLN 2 HE22 GLN 2 -7.363 1.356 2.124
18 H SER 3 H SER 3 -8.103 2.536 -0.461
19 HA SER 3 HA SER 3 -8.489 4.809 -2.115
20 HB2 SER 3 HB2 SER 3 -8.998 5.940 -0.059
21 HB3 SER 3 HB3 SER 3 -9.745 4.351 -0.020
22 H HIS 4 H HIS 4 -7.443 6.827 -1.469
23 HA HIS 4 HA HIS 4 -4.616 6.680 -1.903
24 HB2 HIS 4 HB2 HIS 4 -6.106 8.479 -2.851
25 HB3 HIS 4 HB3 HIS 4 -6.367 9.079 -1.232
26 HD1 HIS 4 HD1 HIS 4 -5.360 11.385 -1.958
27 HD2 HIS 4 HD2 HIS 4 -2.708 8.209 -2.250
28 HE1 HIS 4 HE1 HIS 4 -3.113 12.414 -2.393
29 HE2 HIS 4 HE2 HIS 4 -1.590 10.462 -2.784
30 H TYR 5 H TYR 5 -3.033 6.875 -0.415
31 HA TYR 5 HA TYR 5 -1.956 7.004 1.496
32 HB2 TYR 5 HB2 TYR 5 -4.407 8.434 2.408
33 HB3 TYR 5 HB3 TYR 5 -3.128 8.017 3.549
34 HD1 TYR 5 HD1 TYR 5 -4.313 10.368 1.179
35 HD2 TYR 5 HD2 TYR 5 -0.791 8.871 2.991
36 HE1 TYR 5 HE1 TYR 5 -3.152 12.440 0.625
37 HE2 TYR 5 HE2 TYR 5 0.390 10.939 2.444
38 HH TYR 5 HH TYR 5 -1.202 13.697 1.645
39 H GLY 6 H GLY 6 -4.148 4.936 0.833
40 HA2 GLY 6 HA2 GLY 6 -4.391 3.723 3.468
41 HA3 GLY 6 HA3 GLY 6 -5.098 3.165 1.964
42 H GLN 7 H GLN 7 -3.557 1.625 3.903
43 HA GLN 7 HA GLN 7 -1.006 1.102 2.776
44 HB2 GLN 7 HB2 GLN 7 -1.691 0.612 5.140
45 HB3 GLN 7 HB3 GLN 7 -2.730 -0.677 4.542
46 HG2 GLN 7 HG2 GLN 7 -0.799 -1.909 3.777
47 HG3 GLN 7 HG3 GLN 7 0.274 -0.580 4.212
48 HE21 GLN 7 HE21 GLN 7 0.473 -3.273 5.210
49 HE22 GLN 7 HE22 GLN 7 0.199 -3.187 6.892
50 H CYS 8 H CYS 8 -0.597 -0.053 0.987
51 HA CYS 8 HA CYS 8 -2.931 -1.197 -0.377
52 HB2 CYS 8 HB2 CYS 8 -1.610 -0.963 -2.406
53 HB3 CYS 8 HB3 CYS 8 -1.853 0.554 -1.545
54 H GLY 9 H GLY 9 -0.791 -2.569 1.510
55 HA2 GLY 9 HA2 GLY 9 -1.073 -5.090 1.236
56 HA3 GLY 9 HA3 GLY 9 -0.541 -4.806 -0.402
57 H GLY 10 H GLY 10 0.579 -4.050 2.846
58 HA2 GLY 10 HA2 GLY 10 3.268 -4.726 2.031
59 HA3 GLY 10 HA3 GLY 10 2.759 -4.211 3.645
60 H ILE 11 H ILE 11 4.365 -6.355 3.627
61 HA ILE 11 HA ILE 11 3.169 -8.852 3.301
62 HB ILE 11 HB ILE 11 5.239 -8.100 5.394
63 HG12 ILE 11 HG12 ILE 11 5.609 -9.166 2.581
64 HG13 ILE 11 HG13 ILE 11 5.926 -7.514 3.094
65 HG21 ILE 11 HG21 ILE 11 4.531 -10.789 4.210
66 HG22 ILE 11 HG22 ILE 11 4.186 -10.258 5.856
67 HG23 ILE 11 HG23 ILE 11 5.856 -10.487 5.334
68 HD11 ILE 11 HD11 ILE 11 7.984 -8.796 2.912
69 HD12 ILE 11 HD12 ILE 11 7.358 -9.970 4.074
70 HD13 ILE 11 HD13 ILE 11 7.684 -8.313 4.584
71 H GLY 12 H GLY 12 1.306 -9.457 4.145
72 HA2 GLY 12 HA2 GLY 12 0.255 -10.372 6.100
73 HA3 GLY 12 HA3 GLY 12 0.887 -9.014 7.014
74 H TYR 13 H TYR 13 0.033 -7.405 4.423
75 HA TYR 13 HA TYR 13 -2.581 -6.781 5.542
76 HB2 TYR 13 HB2 TYR 13 -1.096 -4.911 4.894
77 HB3 TYR 13 HB3 TYR 13 -1.104 -5.480 3.232
78 HD1 TYR 13 HD1 TYR 13 -2.976 -4.943 1.755
79 HD2 TYR 13 HD2 TYR 13 -3.146 -3.941 5.891
80 HE1 TYR 13 HE1 TYR 13 -4.930 -3.540 1.319
81 HE2 TYR 13 HE2 TYR 13 -5.111 -2.530 5.463
82 HH TYR 13 HH TYR 13 -6.643 -2.431 2.277
83 H SER 14 H SER 14 -4.167 -7.962 4.961
84 HA SER 14 HA SER 14 -4.150 -9.274 2.342
85 HB2 SER 14 HB2 SER 14 -5.637 -9.973 4.868
86 HB3 SER 14 HB3 SER 14 -5.458 -10.984 3.427
87 HG SER 14 HG SER 14 -3.046 -10.348 4.057
88 H GLY 15 H GLY 15 -5.043 -6.550 2.899
89 HA2 GLY 15 HA2 GLY 15 -7.938 -6.709 2.431
90 HA3 GLY 15 HA3 GLY 15 -7.027 -5.258 2.829
91 HA PRO 16 HA PRO 16 -7.725 -5.111 -1.770
92 HB2 PRO 16 HB2 PRO 16 -7.918 -2.239 -1.021
93 HB3 PRO 16 HB3 PRO 16 -8.960 -3.185 -2.092
94 HG2 PRO 16 HG2 PRO 16 -9.793 -2.467 0.316
95 HG3 PRO 16 HG3 PRO 16 -10.177 -4.075 -0.327
96 HD2 PRO 16 HD2 PRO 16 -8.090 -3.291 1.678
97 HD3 PRO 16 HD3 PRO 16 -9.169 -4.695 1.672
98 H THR 17 H THR 17 -5.831 -5.214 -2.790
99 HA THR 17 HA THR 17 -3.589 -3.551 -1.878
100 HB THR 17 HB THR 17 -2.202 -5.306 -3.015
101 HG1 THR 17 HG1 THR 17 -3.201 -7.219 -3.561
102 HG21 THR 17 HG21 THR 17 -4.058 -6.250 -0.827
103 HG22 THR 17 HG22 THR 17 -2.595 -5.294 -0.597
104 HG23 THR 17 HG23 THR 17 -2.481 -6.948 -1.210
105 H VAL 18 H VAL 18 -5.824 -3.480 -4.178
106 HA VAL 18 HA VAL 18 -3.954 -2.493 -6.215
107 HB VAL 18 HB VAL 18 -6.886 -3.205 -6.574
108 HG11 VAL 18 HG11 VAL 18 -6.184 -1.451 -8.108
109 HG12 VAL 18 HG12 VAL 18 -6.422 -2.959 -8.990
110 HG13 VAL 18 HG13 VAL 18 -4.793 -2.414 -8.603
111 HG21 VAL 18 HG21 VAL 18 -5.516 -5.193 -6.197
112 HG22 VAL 18 HG22 VAL 18 -4.412 -4.686 -7.475
113 HG23 VAL 18 HG23 VAL 18 -6.075 -5.128 -7.866
114 H CYS 19 H CYS 19 -3.638 -0.415 -6.014
115 HA CYS 19 HA CYS 19 -5.339 1.317 -4.567
116 HB2 CYS 19 HB2 CYS 19 -2.999 1.894 -6.361
117 HB3 CYS 19 HB3 CYS 19 -3.733 3.016 -5.220
118 H ALA 20 H ALA 20 -6.357 3.181 -5.314
119 HA ALA 20 HA ALA 20 -7.914 2.955 -7.626
120 HB1 ALA 20 HB1 ALA 20 -8.572 5.272 -7.125
121 HB2 ALA 20 HB2 ALA 20 -7.272 5.381 -5.936
122 HB3 ALA 20 HB3 ALA 20 -8.605 4.254 -5.688
123 H SER 21 H SER 21 -7.783 4.032 -9.593
124 HA SER 21 HA SER 21 -5.271 4.407 -10.720
125 HB2 SER 21 HB2 SER 21 -7.926 5.542 -11.630
126 HB3 SER 21 HB3 SER 21 -6.456 5.489 -12.604
127 HG SER 21 HG SER 21 -7.215 3.634 -13.190
128 H GLY 22 H GLY 22 -3.859 5.956 -10.526
129 HA2 GLY 22 HA2 GLY 22 -3.328 8.313 -10.651
130 HA3 GLY 22 HA3 GLY 22 -4.777 8.621 -9.698
131 H THR 23 H THR 23 -3.816 5.977 -8.257
132 HA THR 23 HA THR 23 -1.832 7.350 -6.609
133 HB THR 23 HB THR 23 -2.615 6.107 -4.661
134 HG1 THR 23 HG1 THR 23 -4.370 4.942 -6.538
135 HG21 THR 23 HG21 THR 23 -4.831 7.616 -6.039
136 HG22 THR 23 HG22 THR 23 -3.585 8.292 -4.983
137 HG23 THR 23 HG23 THR 23 -4.809 7.208 -4.325
138 H THR 24 H THR 24 -0.107 6.181 -5.951
139 HA THR 24 HA THR 24 0.247 3.681 -7.434
140 HB THR 24 HB THR 24 2.746 4.197 -7.065
141 HG1 THR 24 HG1 THR 24 1.606 6.515 -6.022
142 HG21 THR 24 HG21 THR 24 1.679 4.278 -9.252
143 HG22 THR 24 HG22 THR 24 2.809 5.622 -9.083
144 HG23 THR 24 HG23 THR 24 1.074 5.899 -8.922
145 H CYS 25 H CYS 25 0.561 1.853 -6.346
146 HA CYS 25 HA CYS 25 0.691 1.882 -3.491
147 HB2 CYS 25 HB2 CYS 25 -0.489 0.038 -4.562
148 HB3 CYS 25 HB3 CYS 25 0.935 -0.451 -5.455
149 H GLN 26 H GLN 26 2.468 2.760 -2.757
150 HA GLN 26 HA GLN 26 4.998 1.958 -3.916
151 HB2 GLN 26 HB2 GLN 26 4.324 4.195 -2.014
152 HB3 GLN 26 HB3 GLN 26 5.936 3.843 -2.629
153 HG2 GLN 26 HG2 GLN 26 5.169 4.254 -4.899
154 HG3 GLN 26 HG3 GLN 26 3.548 4.577 -4.297
155 HE21 GLN 26 HE21 GLN 26 3.520 6.594 -5.107
156 HE22 GLN 26 HE22 GLN 26 4.436 7.904 -4.469
157 H VAL 27 H VAL 27 5.986 0.382 -3.022
158 HA VAL 27 HA VAL 27 5.403 -0.438 -0.335
159 HB VAL 27 HB VAL 27 7.615 -1.463 -2.148
160 HG11 VAL 27 HG11 VAL 27 7.930 -1.980 0.210
161 HG12 VAL 27 HG12 VAL 27 7.555 -3.450 -0.702
162 HG13 VAL 27 HG13 VAL 27 6.315 -2.672 0.287
163 HG21 VAL 27 HG21 VAL 27 4.813 -2.538 -1.767
164 HG22 VAL 27 HG22 VAL 27 6.090 -3.309 -2.710
165 HG23 VAL 27 HG23 VAL 27 5.432 -1.754 -3.220
166 H LEU 28 H LEU 28 5.980 1.085 0.970
167 HA LEU 28 HA LEU 28 8.432 2.565 0.795
168 HB2 LEU 28 HB2 LEU 28 6.288 2.481 2.934
169 HB3 LEU 28 HB3 LEU 28 7.588 3.649 2.851
170 HG LEU 28 HG LEU 28 5.504 3.360 0.681
171 HD11 LEU 28 HD11 LEU 28 5.599 5.357 2.939
172 HD12 LEU 28 HD12 LEU 28 4.417 4.059 2.755
173 HD13 LEU 28 HD13 LEU 28 4.468 5.369 1.589
174 HD21 LEU 28 HD21 LEU 28 7.592 4.361 -0.043
175 HD22 LEU 28 HD22 LEU 28 7.517 5.480 1.322
176 HD23 LEU 28 HD23 LEU 28 6.313 5.582 0.032
177 H ASN 29 H ASN 29 7.099 0.031 2.794
178 HA ASN 29 HA ASN 29 9.751 -0.697 3.716
179 HB2 ASN 29 HB2 ASN 29 7.323 -0.367 5.536
180 HB3 ASN 29 HB3 ASN 29 8.851 -1.066 6.011
181 HD21 ASN 29 HD21 ASN 29 7.154 1.875 5.330
182 HD22 ASN 29 HD22 ASN 29 8.334 2.955 5.964
183 HA PRO 30 HA PRO 30 8.313 -4.782 2.748
184 HB2 PRO 30 HB2 PRO 30 8.565 -5.610 5.603
185 HB3 PRO 30 HB3 PRO 30 9.216 -6.380 4.152
186 HG2 PRO 30 HG2 PRO 30 10.826 -4.989 5.713
187 HG3 PRO 30 HG3 PRO 30 10.942 -4.836 3.950
188 HD2 PRO 30 HD2 PRO 30 9.692 -2.977 5.924
189 HD3 PRO 30 HD3 PRO 30 10.680 -2.594 4.498
190 H TYR 31 H TYR 31 6.949 -3.701 5.880
191 HA TYR 31 HA TYR 31 4.505 -5.172 5.196
192 HB2 TYR 31 HB2 TYR 31 5.144 -3.779 7.817
193 HB3 TYR 31 HB3 TYR 31 3.872 -4.948 7.508
194 HD1 TYR 31 HD1 TYR 31 4.393 -7.330 7.307
195 HD2 TYR 31 HD2 TYR 31 7.444 -4.502 8.173
196 HE1 TYR 31 HE1 TYR 31 5.894 -9.151 7.982
197 HE2 TYR 31 HE2 TYR 31 8.941 -6.292 8.842
198 HH TYR 31 HH TYR 31 8.752 -8.625 9.664
199 H TYR 32 H TYR 32 5.792 -1.956 5.573
200 HA TYR 32 HA TYR 32 3.113 -0.864 5.336
201 HB2 TYR 32 HB2 TYR 32 4.649 0.154 6.994
202 HB3 TYR 32 HB3 TYR 32 5.706 0.649 5.681
203 HD1 TYR 32 HD1 TYR 32 5.600 2.915 5.237
204 HD2 TYR 32 HD2 TYR 32 2.036 0.844 6.340
205 HE1 TYR 32 HE1 TYR 32 4.354 4.975 5.045
206 HE2 TYR 32 HE2 TYR 32 0.765 2.921 6.133
207 HH TYR 32 HH TYR 32 2.046 5.700 4.658
208 H SER 33 H SER 33 2.305 -0.618 3.427
209 HA SER 33 HA SER 33 3.944 0.513 1.295
210 HB2 SER 33 HB2 SER 33 1.944 -1.762 0.952
211 HB3 SER 33 HB3 SER 33 2.937 -1.043 -0.319
212 HG SER 33 HG SER 33 4.572 -1.812 1.617
213 H GLN 34 H GLN 34 2.702 2.090 0.139
214 HA GLN 34 HA GLN 34 -0.023 2.437 1.171
215 HB2 GLN 34 HB2 GLN 34 1.524 3.680 2.621
216 HB3 GLN 34 HB3 GLN 34 2.124 4.559 1.229
217 HG2 GLN 34 HG2 GLN 34 -0.029 5.594 0.919
218 HG3 GLN 34 HG3 GLN 34 -0.706 4.650 2.240
219 HE21 GLN 34 HE21 GLN 34 -1.227 6.311 3.582
220 HE22 GLN 34 HE22 GLN 34 -0.075 7.383 4.277
221 H CYS 35 H CYS 35 -1.443 3.320 -0.263
222 HA CYS 35 HA CYS 35 -0.607 3.741 -2.989
223 HB2 CYS 35 HB2 CYS 35 -3.269 4.428 -1.736
224 HB3 CYS 35 HB3 CYS 35 -2.893 4.277 -3.447
225 H LEU 36 H LEU 36 0.515 5.509 -3.349
226 HA LEU 36 HA LEU 36 -0.447 7.988 -2.168
227 HB2 LEU 36 HB2 LEU 36 2.316 7.204 -3.086
228 HB3 LEU 36 HB3 LEU 36 1.880 8.841 -2.635
229 HG LEU 36 HG LEU 36 1.698 6.472 -0.763
230 HD11 LEU 36 HD11 LEU 36 3.797 8.611 -0.986
231 HD12 LEU 36 HD12 LEU 36 4.017 6.895 -1.337
232 HD13 LEU 36 HD13 LEU 36 3.682 7.427 0.314
233 HD21 LEU 36 HD21 LEU 36 1.489 8.202 0.962
234 HD22 LEU 36 HD22 LEU 36 0.166 8.266 -0.195
235 HD23 LEU 36 HD23 LEU 36 1.474 9.443 -0.290
236 H1 MAN 101 H1 MAN 101 -9.275 5.945 2.252
237 H2 MAN 101 H2 MAN 101 -7.172 5.537 3.495
238 H3 MAN 101 H3 MAN 101 -6.876 3.213 2.911
239 H4 MAN 101 H4 MAN 101 -9.255 2.660 4.746
240 H5 MAN 101 H5 MAN 101 -9.001 2.356 1.705
241 H61 MAN 101 H61 MAN 101 -10.474 0.748 2.785
242 H62 MAN 101 H62 MAN 101 -11.370 1.875 1.732
243 HO2 MAN 101 HO2 MAN 101 -9.103 6.123 4.619
244 HO3 MAN 101 HO3 MAN 101 -6.082 3.996 5.016
245 HO4 MAN 101 HO4 MAN 101 -7.623 1.109 4.696
246 HO6 MAN 101 HO6 MAN 101 -11.256 2.983 4.133
Start of MODEL 19
1 H1 THR 1 H1 THR 1 -11.441 -0.545 -6.244
2 H2 THR 1 H2 THR 1 -11.690 0.656 -5.060
3 H3 THR 1 H3 THR 1 -11.322 -0.920 -4.606
4 HA THR 1 HA THR 1 -9.163 -0.778 -5.454
5 HB THR 1 HB THR 1 -8.355 1.478 -6.196
6 HG1 THR 1 HG1 THR 1 -10.945 2.137 -6.989
7 HG21 THR 1 HG21 THR 1 -10.414 0.136 -7.956
8 HG22 THR 1 HG22 THR 1 -8.705 -0.300 -7.822
9 HG23 THR 1 HG23 THR 1 -9.173 1.266 -8.497
10 H GLN 2 H GLN 2 -7.532 -0.099 -4.105
11 HA GLN 2 HA GLN 2 -8.320 0.669 -1.512
12 HB2 GLN 2 HB2 GLN 2 -6.416 -0.860 -1.954
13 HB3 GLN 2 HB3 GLN 2 -5.552 0.451 -2.736
14 HG2 GLN 2 HG2 GLN 2 -4.785 0.052 -0.444
15 HG3 GLN 2 HG3 GLN 2 -5.430 1.671 -0.695
16 HE21 GLN 2 HE21 GLN 2 -6.009 2.066 1.246
17 HE22 GLN 2 HE22 GLN 2 -7.220 1.230 2.185
18 H SER 3 H SER 3 -7.924 2.593 -0.422
19 HA SER 3 HA SER 3 -8.238 4.859 -2.114
20 HB2 SER 3 HB2 SER 3 -8.783 6.001 -0.036
21 HB3 SER 3 HB3 SER 3 -9.663 4.477 -0.156
22 H HIS 4 H HIS 4 -7.237 6.864 -1.171
23 HA HIS 4 HA HIS 4 -4.408 6.699 -1.743
24 HB2 HIS 4 HB2 HIS 4 -5.922 8.439 -2.723
25 HB3 HIS 4 HB3 HIS 4 -6.152 9.120 -1.135
26 HD1 HIS 4 HD1 HIS 4 -5.146 11.396 -1.772
27 HD2 HIS 4 HD2 HIS 4 -2.586 8.220 -2.469
28 HE1 HIS 4 HE1 HIS 4 -2.948 12.440 -2.349
29 HE2 HIS 4 HE2 HIS 4 -1.603 10.487 -3.174
30 H TYR 5 H TYR 5 -2.808 6.920 -0.223
31 HA TYR 5 HA TYR 5 -1.745 7.008 1.705
32 HB2 TYR 5 HB2 TYR 5 -4.111 8.626 2.518
33 HB3 TYR 5 HB3 TYR 5 -2.969 8.119 3.767
34 HD1 TYR 5 HD1 TYR 5 -3.526 10.285 0.872
35 HD2 TYR 5 HD2 TYR 5 -0.688 9.004 3.760
36 HE1 TYR 5 HE1 TYR 5 -2.080 12.177 0.287
37 HE2 TYR 5 HE2 TYR 5 0.768 10.887 3.189
38 HH TYR 5 HH TYR 5 1.165 12.375 1.276
39 H GLY 6 H GLY 6 -4.066 5.088 1.013
40 HA2 GLY 6 HA2 GLY 6 -4.324 3.777 3.586
41 HA3 GLY 6 HA3 GLY 6 -5.119 3.344 2.083
42 H GLN 7 H GLN 7 -3.791 1.448 3.683
43 HA GLN 7 HA GLN 7 -1.183 1.020 2.575
44 HB2 GLN 7 HB2 GLN 7 -1.662 0.437 4.926
45 HB3 GLN 7 HB3 GLN 7 -2.877 -0.710 4.398
46 HG2 GLN 7 HG2 GLN 7 -1.235 -2.164 3.482
47 HG3 GLN 7 HG3 GLN 7 0.027 -0.948 3.665
48 HE21 GLN 7 HE21 GLN 7 -0.103 -3.672 4.748
49 HE22 GLN 7 HE22 GLN 7 0.024 -3.501 6.439
50 H CYS 8 H CYS 8 -0.707 -0.155 0.857
51 HA CYS 8 HA CYS 8 -2.983 -1.382 -0.545
52 HB2 CYS 8 HB2 CYS 8 -1.647 -1.107 -2.572
53 HB3 CYS 8 HB3 CYS 8 -2.004 0.405 -1.752
54 H GLY 9 H GLY 9 -0.674 -2.582 1.336
55 HA2 GLY 9 HA2 GLY 9 -0.820 -5.117 1.183
56 HA3 GLY 9 HA3 GLY 9 -0.421 -4.885 -0.503
57 H GLY 10 H GLY 10 0.774 -4.482 2.738
58 HA2 GLY 10 HA2 GLY 10 3.495 -4.982 1.754
59 HA3 GLY 10 HA3 GLY 10 3.049 -4.454 3.381
60 H ILE 11 H ILE 11 4.592 -6.563 3.468
61 HA ILE 11 HA ILE 11 3.299 -9.059 3.299
62 HB ILE 11 HB ILE 11 5.479 -8.184 5.230
63 HG12 ILE 11 HG12 ILE 11 5.721 -9.559 2.540
64 HG13 ILE 11 HG13 ILE 11 6.086 -7.868 2.854
65 HG21 ILE 11 HG21 ILE 11 4.416 -10.231 5.984
66 HG22 ILE 11 HG22 ILE 11 6.038 -10.581 5.379
67 HG23 ILE 11 HG23 ILE 11 4.628 -10.952 4.389
68 HD11 ILE 11 HD11 ILE 11 8.105 -9.219 2.737
69 HD12 ILE 11 HD12 ILE 11 7.504 -10.230 4.058
70 HD13 ILE 11 HD13 ILE 11 7.888 -8.534 4.350
71 H GLY 12 H GLY 12 1.455 -9.572 4.347
72 HA2 GLY 12 HA2 GLY 12 0.522 -10.236 6.480
73 HA3 GLY 12 HA3 GLY 12 1.249 -8.799 7.178
74 H TYR 13 H TYR 13 -0.018 -7.883 4.266
75 HA TYR 13 HA TYR 13 -2.426 -6.886 5.595
76 HB2 TYR 13 HB2 TYR 13 -0.925 -5.257 4.463
77 HB3 TYR 13 HB3 TYR 13 -1.230 -6.075 2.941
78 HD1 TYR 13 HD1 TYR 13 -3.229 -4.572 5.733
79 HD2 TYR 13 HD2 TYR 13 -2.767 -5.030 1.531
80 HE1 TYR 13 HE1 TYR 13 -5.130 -3.055 5.360
81 HE2 TYR 13 HE2 TYR 13 -4.655 -3.534 1.147
82 HH TYR 13 HH TYR 13 -6.366 -2.426 2.102
83 H SER 14 H SER 14 -4.444 -7.541 4.993
84 HA SER 14 HA SER 14 -4.556 -9.525 2.822
85 HB2 SER 14 HB2 SER 14 -6.325 -9.366 5.257
86 HB3 SER 14 HB3 SER 14 -6.175 -10.704 4.118
87 HG SER 14 HG SER 14 -3.975 -10.918 4.816
88 H GLY 15 H GLY 15 -5.216 -6.463 3.182
89 HA2 GLY 15 HA2 GLY 15 -8.046 -6.473 2.400
90 HA3 GLY 15 HA3 GLY 15 -7.097 -5.063 2.849
91 HA PRO 16 HA PRO 16 -7.616 -5.071 -1.782
92 HB2 PRO 16 HB2 PRO 16 -7.791 -2.162 -1.187
93 HB3 PRO 16 HB3 PRO 16 -8.801 -3.148 -2.250
94 HG2 PRO 16 HG2 PRO 16 -9.731 -2.319 0.091
95 HG3 PRO 16 HG3 PRO 16 -10.081 -3.959 -0.493
96 HD2 PRO 16 HD2 PRO 16 -8.062 -3.074 1.545
97 HD3 PRO 16 HD3 PRO 16 -9.160 -4.466 1.586
98 H THR 17 H THR 17 -5.831 -5.125 -2.908
99 HA THR 17 HA THR 17 -3.442 -3.661 -2.030
100 HB THR 17 HB THR 17 -2.352 -5.452 -3.476
101 HG1 THR 17 HG1 THR 17 -3.579 -7.192 -4.007
102 HG21 THR 17 HG21 THR 17 -2.464 -7.131 -1.683
103 HG22 THR 17 HG22 THR 17 -3.894 -6.337 -1.028
104 HG23 THR 17 HG23 THR 17 -2.342 -5.506 -1.004
105 H VAL 18 H VAL 18 -5.816 -3.566 -4.300
106 HA VAL 18 HA VAL 18 -4.076 -2.469 -6.398
107 HB VAL 18 HB VAL 18 -7.037 -3.155 -6.507
108 HG11 VAL 18 HG11 VAL 18 -5.175 -2.277 -8.716
109 HG12 VAL 18 HG12 VAL 18 -6.478 -1.314 -8.020
110 HG13 VAL 18 HG13 VAL 18 -6.852 -2.784 -8.925
111 HG21 VAL 18 HG21 VAL 18 -5.630 -5.135 -6.370
112 HG22 VAL 18 HG22 VAL 18 -4.656 -4.548 -7.713
113 HG23 VAL 18 HG23 VAL 18 -6.346 -4.987 -7.976
114 H CYS 19 H CYS 19 -3.721 -0.368 -6.210
115 HA CYS 19 HA CYS 19 -5.309 1.324 -4.585
116 HB2 CYS 19 HB2 CYS 19 -3.066 1.920 -6.502
117 HB3 CYS 19 HB3 CYS 19 -3.746 3.044 -5.335
118 H ALA 20 H ALA 20 -6.291 3.287 -5.290
119 HA ALA 20 HA ALA 20 -7.996 3.069 -7.507
120 HB1 ALA 20 HB1 ALA 20 -7.197 5.532 -5.935
121 HB2 ALA 20 HB2 ALA 20 -8.518 4.427 -5.548
122 HB3 ALA 20 HB3 ALA 20 -8.584 5.390 -7.022
123 H SER 21 H SER 21 -7.997 4.250 -9.457
124 HA SER 21 HA SER 21 -5.552 4.356 -10.785
125 HB2 SER 21 HB2 SER 21 -8.149 5.726 -11.500
126 HB3 SER 21 HB3 SER 21 -6.835 5.316 -12.612
127 HG SER 21 HG SER 21 -7.238 3.083 -11.616
128 H GLY 22 H GLY 22 -4.002 5.805 -10.715
129 HA2 GLY 22 HA2 GLY 22 -3.303 8.084 -10.922
130 HA3 GLY 22 HA3 GLY 22 -4.664 8.532 -9.895
131 H THR 23 H THR 23 -3.984 6.016 -8.241
132 HA THR 23 HA THR 23 -1.835 7.332 -6.759
133 HB THR 23 HB THR 23 -2.612 6.116 -4.787
134 HG1 THR 23 HG1 THR 23 -4.396 4.986 -6.652
135 HG21 THR 23 HG21 THR 23 -3.516 8.343 -5.169
136 HG22 THR 23 HG22 THR 23 -4.741 7.314 -4.423
137 HG23 THR 23 HG23 THR 23 -4.815 7.666 -6.150
138 H THR 24 H THR 24 -0.107 6.165 -6.105
139 HA THR 24 HA THR 24 0.237 3.650 -7.569
140 HB THR 24 HB THR 24 2.717 4.120 -7.302
141 HG1 THR 24 HG1 THR 24 1.659 6.533 -6.216
142 HG21 THR 24 HG21 THR 24 1.078 6.138 -8.831
143 HG22 THR 24 HG22 THR 24 1.523 4.528 -9.396
144 HG23 THR 24 HG23 THR 24 2.771 5.749 -9.132
145 H CYS 25 H CYS 25 0.823 1.804 -6.532
146 HA CYS 25 HA CYS 25 0.707 1.856 -3.654
147 HB2 CYS 25 HB2 CYS 25 -0.386 -0.006 -4.777
148 HB3 CYS 25 HB3 CYS 25 1.095 -0.512 -5.564
149 H GLN 26 H GLN 26 2.398 2.751 -2.803
150 HA GLN 26 HA GLN 26 5.038 2.072 -3.805
151 HB2 GLN 26 HB2 GLN 26 4.101 4.241 -1.929
152 HB3 GLN 26 HB3 GLN 26 5.775 3.997 -2.402
153 HG2 GLN 26 HG2 GLN 26 5.173 4.410 -4.733
154 HG3 GLN 26 HG3 GLN 26 3.494 4.628 -4.255
155 HE21 GLN 26 HE21 GLN 26 3.434 6.645 -5.059
156 HE22 GLN 26 HE22 GLN 26 4.212 8.002 -4.331
157 H VAL 27 H VAL 27 6.027 0.508 -2.840
158 HA VAL 27 HA VAL 27 5.223 -0.367 -0.220
159 HB VAL 27 HB VAL 27 7.585 -1.334 -1.884
160 HG11 VAL 27 HG11 VAL 27 7.410 -3.382 -0.551
161 HG12 VAL 27 HG12 VAL 27 6.098 -2.660 0.377
162 HG13 VAL 27 HG13 VAL 27 7.716 -1.973 0.467
163 HG21 VAL 27 HG21 VAL 27 6.131 -3.170 -2.631
164 HG22 VAL 27 HG22 VAL 27 5.522 -1.600 -3.160
165 HG23 VAL 27 HG23 VAL 27 4.769 -2.424 -1.793
166 H LEU 28 H LEU 28 5.687 1.183 1.152
167 HA LEU 28 HA LEU 28 8.061 2.789 1.096
168 HB2 LEU 28 HB2 LEU 28 5.887 2.522 3.160
169 HB3 LEU 28 HB3 LEU 28 7.131 3.753 3.170
170 HG LEU 28 HG LEU 28 5.035 3.455 1.008
171 HD11 LEU 28 HD11 LEU 28 4.052 5.458 2.001
172 HD12 LEU 28 HD12 LEU 28 5.209 5.361 3.334
173 HD13 LEU 28 HD13 LEU 28 4.016 4.076 3.092
174 HD21 LEU 28 HD21 LEU 28 5.752 5.673 0.369
175 HD22 LEU 28 HD22 LEU 28 7.099 4.519 0.260
176 HD23 LEU 28 HD23 LEU 28 6.979 5.633 1.637
177 H ASN 29 H ASN 29 6.903 0.028 2.828
178 HA ASN 29 HA ASN 29 9.491 -0.377 4.100
179 HB2 ASN 29 HB2 ASN 29 6.809 -0.503 5.539
180 HB3 ASN 29 HB3 ASN 29 8.373 -0.908 6.223
181 HD21 ASN 29 HD21 ASN 29 6.273 1.672 5.217
182 HD22 ASN 29 HD22 ASN 29 7.069 2.954 6.016
183 HA PRO 30 HA PRO 30 8.544 -4.522 2.754
184 HB2 PRO 30 HB2 PRO 30 8.821 -5.614 5.483
185 HB3 PRO 30 HB3 PRO 30 9.690 -6.063 4.013
186 HG2 PRO 30 HG2 PRO 30 10.914 -4.649 5.918
187 HG3 PRO 30 HG3 PRO 30 11.204 -4.306 4.203
188 HD2 PRO 30 HD2 PRO 30 9.501 -2.832 6.171
189 HD3 PRO 30 HD3 PRO 30 10.552 -2.186 4.895
190 H TYR 31 H TYR 31 6.954 -3.579 5.779
191 HA TYR 31 HA TYR 31 4.755 -5.391 5.048
192 HB2 TYR 31 HB2 TYR 31 5.207 -4.041 7.721
193 HB3 TYR 31 HB3 TYR 31 4.047 -5.302 7.350
194 HD1 TYR 31 HD1 TYR 31 7.611 -4.570 7.933
195 HD2 TYR 31 HD2 TYR 31 4.732 -7.614 7.247
196 HE1 TYR 31 HE1 TYR 31 9.253 -6.262 8.601
197 HE2 TYR 31 HE2 TYR 31 6.367 -9.313 7.910
198 HH TYR 31 HH TYR 31 9.186 -8.556 9.508
199 H TYR 32 H TYR 32 5.606 -2.048 5.620
200 HA TYR 32 HA TYR 32 2.829 -1.342 5.221
201 HB2 TYR 32 HB2 TYR 32 3.984 -0.222 7.078
202 HB3 TYR 32 HB3 TYR 32 5.087 0.528 5.928
203 HD1 TYR 32 HD1 TYR 32 4.545 2.654 5.053
204 HD2 TYR 32 HD2 TYR 32 1.464 0.159 6.629
205 HE1 TYR 32 HE1 TYR 32 2.941 4.439 4.727
206 HE2 TYR 32 HE2 TYR 32 -0.158 1.949 6.310
207 HH TYR 32 HH TYR 32 -0.154 4.386 6.136
208 H SER 33 H SER 33 2.089 -1.035 3.285
209 HA SER 33 HA SER 33 3.772 0.374 1.329
210 HB2 SER 33 HB2 SER 33 1.660 -1.733 0.738
211 HB3 SER 33 HB3 SER 33 2.715 -0.948 -0.435
212 HG SER 33 HG SER 33 3.367 -3.101 0.284
213 H GLN 34 H GLN 34 2.605 2.033 0.186
214 HA GLN 34 HA GLN 34 -0.132 2.483 1.128
215 HB2 GLN 34 HB2 GLN 34 1.113 3.772 2.671
216 HB3 GLN 34 HB3 GLN 34 2.190 4.369 1.423
217 HG2 GLN 34 HG2 GLN 34 0.432 5.748 0.511
218 HG3 GLN 34 HG3 GLN 34 -0.724 5.065 1.648
219 HE21 GLN 34 HE21 GLN 34 -0.779 5.811 3.703
220 HE22 GLN 34 HE22 GLN 34 0.137 7.133 4.276
221 H CYS 35 H CYS 35 -1.484 3.431 -0.290
222 HA CYS 35 HA CYS 35 -0.605 3.767 -3.024
223 HB2 CYS 35 HB2 CYS 35 -3.310 4.356 -1.807
224 HB3 CYS 35 HB3 CYS 35 -2.935 4.273 -3.520
225 H LEU 36 H LEU 36 0.517 5.545 -3.416
226 HA LEU 36 HA LEU 36 -0.588 8.088 -2.496
227 HB2 LEU 36 HB2 LEU 36 2.250 7.370 -3.190
228 HB3 LEU 36 HB3 LEU 36 1.703 9.021 -2.993
229 HG LEU 36 HG LEU 36 1.621 6.910 -0.839
230 HD11 LEU 36 HD11 LEU 36 3.464 9.264 -1.214
231 HD12 LEU 36 HD12 LEU 36 3.901 7.561 -1.387
232 HD13 LEU 36 HD13 LEU 36 3.421 8.192 0.189
233 HD21 LEU 36 HD21 LEU 36 1.116 8.820 0.630
234 HD22 LEU 36 HD22 LEU 36 -0.146 8.544 -0.559
235 HD23 LEU 36 HD23 LEU 36 1.005 9.864 -0.786
236 H1 MAN 101 H1 MAN 101 -9.258 5.851 2.263
237 H2 MAN 101 H2 MAN 101 -7.229 5.228 3.571
238 H3 MAN 101 H3 MAN 101 -7.028 2.932 2.804
239 H4 MAN 101 H4 MAN 101 -9.489 2.450 4.532
240 H5 MAN 101 H5 MAN 101 -9.187 2.255 1.482
241 H61 MAN 101 H61 MAN 101 -10.852 0.688 2.384
242 H62 MAN 101 H62 MAN 101 -11.630 2.005 1.476
243 HO2 MAN 101 HO2 MAN 101 -9.090 5.821 4.681
244 HO3 MAN 101 HO3 MAN 101 -7.640 3.264 5.542
245 HO4 MAN 101 HO4 MAN 101 -9.210 0.304 3.676
246 HO6 MAN 101 HO6 MAN 101 -11.607 3.016 3.790
Start of MODEL 20
1 H1 THR 1 H1 THR 1 -10.614 -2.022 -5.881
2 H2 THR 1 H2 THR 1 -11.340 -1.163 -4.653
3 H3 THR 1 H3 THR 1 -10.236 -2.381 -4.258
4 HA THR 1 HA THR 1 -8.542 -0.971 -5.363
5 HB THR 1 HB THR 1 -9.381 1.473 -5.420
6 HG1 THR 1 HG1 THR 1 -11.721 1.274 -6.257
7 HG21 THR 1 HG21 THR 1 -10.180 -0.509 -7.573
8 HG22 THR 1 HG22 THR 1 -8.596 0.260 -7.404
9 HG23 THR 1 HG23 THR 1 -10.003 1.232 -7.799
10 H GLN 2 H GLN 2 -7.275 0.089 -3.985
11 HA GLN 2 HA GLN 2 -8.238 0.518 -1.293
12 HB2 GLN 2 HB2 GLN 2 -6.181 -0.831 -1.582
13 HB3 GLN 2 HB3 GLN 2 -5.435 0.503 -2.449
14 HG2 GLN 2 HG2 GLN 2 -4.674 0.371 -0.148
15 HG3 GLN 2 HG3 GLN 2 -5.517 1.880 -0.497
16 HE21 GLN 2 HE21 GLN 2 -6.285 2.365 1.333
17 HE22 GLN 2 HE22 GLN 2 -7.342 1.457 2.370
18 H SER 3 H SER 3 -8.000 2.566 -0.315
19 HA SER 3 HA SER 3 -8.410 4.709 -2.138
20 HB2 SER 3 HB2 SER 3 -8.930 5.973 -0.151
21 HB3 SER 3 HB3 SER 3 -9.742 4.407 -0.068
22 H HIS 4 H HIS 4 -7.418 6.776 -1.466
23 HA HIS 4 HA HIS 4 -4.586 6.705 -1.916
24 HB2 HIS 4 HB2 HIS 4 -6.215 8.411 -2.831
25 HB3 HIS 4 HB3 HIS 4 -6.355 9.053 -1.211
26 HD1 HIS 4 HD1 HIS 4 -5.498 11.312 -2.085
27 HD2 HIS 4 HD2 HIS 4 -2.776 8.229 -2.505
28 HE1 HIS 4 HE1 HIS 4 -3.342 12.412 -2.692
29 HE2 HIS 4 HE2 HIS 4 -1.757 10.523 -3.130
30 H TYR 5 H TYR 5 -2.978 6.958 -0.431
31 HA TYR 5 HA TYR 5 -1.877 7.152 1.461
32 HB2 TYR 5 HB2 TYR 5 -4.323 8.600 2.376
33 HB3 TYR 5 HB3 TYR 5 -3.015 8.267 3.512
34 HD1 TYR 5 HD1 TYR 5 -4.191 10.391 0.845
35 HD2 TYR 5 HD2 TYR 5 -0.750 9.223 3.033
36 HE1 TYR 5 HE1 TYR 5 -3.020 12.406 0.082
37 HE2 TYR 5 HE2 TYR 5 0.429 11.237 2.285
38 HH TYR 5 HH TYR 5 -1.162 13.823 0.798
39 H GLY 6 H GLY 6 -4.121 5.106 0.896
40 HA2 GLY 6 HA2 GLY 6 -4.299 3.930 3.535
41 HA3 GLY 6 HA3 GLY 6 -5.063 3.380 2.064
42 H GLN 7 H GLN 7 -3.789 1.562 3.641
43 HA GLN 7 HA GLN 7 -1.112 1.121 2.682
44 HB2 GLN 7 HB2 GLN 7 -1.970 0.523 4.987
45 HB3 GLN 7 HB3 GLN 7 -2.922 -0.740 4.229
46 HG2 GLN 7 HG2 GLN 7 -0.906 -1.848 3.478
47 HG3 GLN 7 HG3 GLN 7 0.086 -0.563 4.165
48 HE21 GLN 7 HE21 GLN 7 0.221 -3.356 4.874
49 HE22 GLN 7 HE22 GLN 7 -0.223 -3.444 6.519
50 H CYS 8 H CYS 8 -0.628 -0.076 0.898
51 HA CYS 8 HA CYS 8 -2.931 -1.282 -0.496
52 HB2 CYS 8 HB2 CYS 8 -1.585 -0.989 -2.528
53 HB3 CYS 8 HB3 CYS 8 -2.056 0.502 -1.733
54 H GLY 9 H GLY 9 -0.749 -2.529 1.374
55 HA2 GLY 9 HA2 GLY 9 -0.877 -5.059 1.046
56 HA3 GLY 9 HA3 GLY 9 -0.270 -4.707 -0.556
57 H GLY 10 H GLY 10 0.463 -4.641 2.826
58 HA2 GLY 10 HA2 GLY 10 3.291 -4.868 2.143
59 HA3 GLY 10 HA3 GLY 10 2.637 -4.567 3.765
60 H ILE 11 H ILE 11 4.286 -6.590 3.785
61 HA ILE 11 HA ILE 11 3.177 -9.108 3.173
62 HB ILE 11 HB ILE 11 5.084 -8.401 5.425
63 HG12 ILE 11 HG12 ILE 11 5.705 -9.373 2.626
64 HG13 ILE 11 HG13 ILE 11 5.880 -7.709 3.174
65 HG21 ILE 11 HG21 ILE 11 5.770 -10.763 5.318
66 HG22 ILE 11 HG22 ILE 11 4.550 -11.065 4.087
67 HG23 ILE 11 HG23 ILE 11 4.056 -10.609 5.717
68 HD11 ILE 11 HD11 ILE 11 7.363 -10.092 4.230
69 HD12 ILE 11 HD12 ILE 11 7.541 -8.435 4.804
70 HD13 ILE 11 HD13 ILE 11 8.012 -8.853 3.152
71 H GLY 12 H GLY 12 1.207 -9.682 3.889
72 HA2 GLY 12 HA2 GLY 12 0.109 -10.736 5.755
73 HA3 GLY 12 HA3 GLY 12 0.725 -9.450 6.778
74 H TYR 13 H TYR 13 -0.073 -7.725 4.242
75 HA TYR 13 HA TYR 13 -2.582 -6.924 5.415
76 HB2 TYR 13 HB2 TYR 13 -0.979 -5.243 4.563
77 HB3 TYR 13 HB3 TYR 13 -1.189 -5.887 2.943
78 HD1 TYR 13 HD1 TYR 13 -2.776 -4.890 1.542
79 HD2 TYR 13 HD2 TYR 13 -3.136 -4.379 5.744
80 HE1 TYR 13 HE1 TYR 13 -4.569 -3.275 1.185
81 HE2 TYR 13 HE2 TYR 13 -4.952 -2.751 5.385
82 HH TYR 13 HH TYR 13 -6.203 -2.099 2.148
83 H SER 14 H SER 14 -4.325 -8.017 5.046
84 HA SER 14 HA SER 14 -4.640 -9.521 2.616
85 HB2 SER 14 HB2 SER 14 -6.639 -10.368 3.993
86 HB3 SER 14 HB3 SER 14 -5.016 -10.779 4.552
87 HG SER 14 HG SER 14 -6.826 -8.861 5.546
88 H GLY 15 H GLY 15 -5.280 -6.464 3.473
89 HA2 GLY 15 HA2 GLY 15 -8.032 -6.219 2.608
90 HA3 GLY 15 HA3 GLY 15 -6.956 -4.902 3.055
91 HA PRO 16 HA PRO 16 -7.617 -4.862 -1.572
92 HB2 PRO 16 HB2 PRO 16 -7.800 -1.956 -0.961
93 HB3 PRO 16 HB3 PRO 16 -8.829 -2.939 -2.002
94 HG2 PRO 16 HG2 PRO 16 -9.728 -2.136 0.353
95 HG3 PRO 16 HG3 PRO 16 -10.050 -3.789 -0.205
96 HD2 PRO 16 HD2 PRO 16 -7.966 -2.829 1.727
97 HD3 PRO 16 HD3 PRO 16 -9.061 -4.219 1.874
98 H THR 17 H THR 17 -5.780 -5.002 -2.690
99 HA THR 17 HA THR 17 -3.412 -3.460 -1.886
100 HB THR 17 HB THR 17 -2.272 -5.170 -3.331
101 HG1 THR 17 HG1 THR 17 -3.444 -6.591 -4.367
102 HG21 THR 17 HG21 THR 17 -2.445 -6.984 -1.675
103 HG22 THR 17 HG22 THR 17 -3.918 -6.256 -1.032
104 HG23 THR 17 HG23 THR 17 -2.380 -5.413 -0.878
105 H VAL 18 H VAL 18 -5.822 -3.513 -4.208
106 HA VAL 18 HA VAL 18 -4.086 -2.523 -6.343
107 HB VAL 18 HB VAL 18 -7.092 -2.945 -6.398
108 HG11 VAL 18 HG11 VAL 18 -5.137 -2.555 -8.656
109 HG12 VAL 18 HG12 VAL 18 -6.332 -1.385 -8.095
110 HG13 VAL 18 HG13 VAL 18 -6.856 -2.896 -8.839
111 HG21 VAL 18 HG21 VAL 18 -6.645 -5.026 -7.626
112 HG22 VAL 18 HG22 VAL 18 -5.968 -5.073 -5.999
113 HG23 VAL 18 HG23 VAL 18 -4.916 -4.788 -7.386
114 H CYS 19 H CYS 19 -3.604 -0.428 -6.114
115 HA CYS 19 HA CYS 19 -5.137 1.376 -4.608
116 HB2 CYS 19 HB2 CYS 19 -2.901 1.794 -6.571
117 HB3 CYS 19 HB3 CYS 19 -3.574 3.045 -5.535
118 H ALA 20 H ALA 20 -6.246 3.201 -5.288
119 HA ALA 20 HA ALA 20 -7.956 2.984 -7.483
120 HB1 ALA 20 HB1 ALA 20 -7.111 5.418 -5.910
121 HB2 ALA 20 HB2 ALA 20 -8.443 4.332 -5.508
122 HB3 ALA 20 HB3 ALA 20 -8.522 5.321 -6.965
123 H SER 21 H SER 21 -7.906 4.053 -9.476
124 HA SER 21 HA SER 21 -5.404 4.257 -10.723
125 HB2 SER 21 HB2 SER 21 -8.068 5.369 -11.604
126 HB3 SER 21 HB3 SER 21 -6.665 5.086 -12.643
127 HG SER 21 HG SER 21 -6.918 2.848 -11.539
128 H GLY 22 H GLY 22 -3.947 5.800 -10.667
129 HA2 GLY 22 HA2 GLY 22 -3.379 8.126 -10.881
130 HA3 GLY 22 HA3 GLY 22 -4.825 8.501 -9.940
131 H THR 23 H THR 23 -3.934 5.933 -8.342
132 HA THR 23 HA THR 23 -1.906 7.370 -6.801
133 HB THR 23 HB THR 23 -2.625 6.155 -4.794
134 HG1 THR 23 HG1 THR 23 -4.410 4.934 -6.616
135 HG21 THR 23 HG21 THR 23 -3.659 8.306 -5.210
136 HG22 THR 23 HG22 THR 23 -4.817 7.218 -4.449
137 HG23 THR 23 HG23 THR 23 -4.917 7.542 -6.182
138 H THR 24 H THR 24 -0.123 6.231 -6.085
139 HA THR 24 HA THR 24 0.329 3.757 -7.589
140 HB THR 24 HB THR 24 2.782 4.359 -7.393
141 HG1 THR 24 HG1 THR 24 1.656 6.722 -6.222
142 HG21 THR 24 HG21 THR 24 1.032 6.428 -8.734
143 HG22 THR 24 HG22 THR 24 1.493 4.881 -9.431
144 HG23 THR 24 HG23 THR 24 2.722 6.106 -9.117
145 H CYS 25 H CYS 25 0.853 1.908 -6.490
146 HA CYS 25 HA CYS 25 0.798 2.018 -3.621
147 HB2 CYS 25 HB2 CYS 25 -0.301 0.107 -4.695
148 HB3 CYS 25 HB3 CYS 25 1.196 -0.417 -5.442
149 H GLN 26 H GLN 26 2.485 2.883 -2.758
150 HA GLN 26 HA GLN 26 5.094 2.142 -3.780
151 HB2 GLN 26 HB2 GLN 26 4.272 4.372 -1.932
152 HB3 GLN 26 HB3 GLN 26 5.914 4.066 -2.482
153 HG2 GLN 26 HG2 GLN 26 5.240 4.453 -4.780
154 HG3 GLN 26 HG3 GLN 26 3.576 4.704 -4.262
155 HE21 GLN 26 HE21 GLN 26 3.479 6.703 -5.065
156 HE22 GLN 26 HE22 GLN 26 4.314 8.064 -4.387
157 H VAL 27 H VAL 27 5.873 0.422 -2.872
158 HA VAL 27 HA VAL 27 5.343 -0.321 -0.182
159 HB VAL 27 HB VAL 27 7.528 -1.269 -2.084
160 HG11 VAL 27 HG11 VAL 27 7.699 -3.233 -0.615
161 HG12 VAL 27 HG12 VAL 27 6.538 -2.495 0.494
162 HG13 VAL 27 HG13 VAL 27 8.111 -1.742 0.236
163 HG21 VAL 27 HG21 VAL 27 6.082 -3.212 -2.462
164 HG22 VAL 27 HG22 VAL 27 5.274 -1.717 -2.936
165 HG23 VAL 27 HG23 VAL 27 4.854 -2.506 -1.417
166 H LEU 28 H LEU 28 5.947 1.013 1.289
167 HA LEU 28 HA LEU 28 8.339 2.647 1.087
168 HB2 LEU 28 HB2 LEU 28 6.204 2.470 3.222
169 HB3 LEU 28 HB3 LEU 28 7.471 3.682 3.157
170 HG LEU 28 HG LEU 28 5.328 3.360 1.042
171 HD11 LEU 28 HD11 LEU 28 4.335 4.078 3.147
172 HD12 LEU 28 HD12 LEU 28 4.337 5.382 1.968
173 HD13 LEU 28 HD13 LEU 28 5.526 5.375 3.273
174 HD21 LEU 28 HD21 LEU 28 7.372 4.342 0.216
175 HD22 LEU 28 HD22 LEU 28 7.362 5.489 1.561
176 HD23 LEU 28 HD23 LEU 28 6.097 5.567 0.326
177 H ASN 29 H ASN 29 7.016 0.039 2.975
178 HA ASN 29 HA ASN 29 9.660 -0.685 3.953
179 HB2 ASN 29 HB2 ASN 29 7.147 -0.573 5.683
180 HB3 ASN 29 HB3 ASN 29 8.705 -1.211 6.157
181 HD21 ASN 29 HD21 ASN 29 6.879 1.695 5.553
182 HD22 ASN 29 HD22 ASN 29 7.954 2.806 6.280
183 HA PRO 30 HA PRO 30 8.319 -4.690 2.595
184 HB2 PRO 30 HB2 PRO 30 8.709 -5.761 5.355
185 HB3 PRO 30 HB3 PRO 30 9.346 -6.367 3.819
186 HG2 PRO 30 HG2 PRO 30 10.938 -5.051 5.468
187 HG3 PRO 30 HG3 PRO 30 11.009 -4.727 3.725
188 HD2 PRO 30 HD2 PRO 30 9.727 -3.129 5.900
189 HD3 PRO 30 HD3 PRO 30 10.653 -2.552 4.512
190 H TYR 31 H TYR 31 6.942 -3.692 5.696
191 HA TYR 31 HA TYR 31 4.541 -5.268 5.044
192 HB2 TYR 31 HB2 TYR 31 5.308 -4.001 7.692
193 HB3 TYR 31 HB3 TYR 31 3.920 -5.039 7.407
194 HD1 TYR 31 HD1 TYR 31 7.624 -5.008 7.291
195 HD2 TYR 31 HD2 TYR 31 4.136 -7.379 7.719
196 HE1 TYR 31 HE1 TYR 31 9.025 -6.909 7.858
197 HE2 TYR 31 HE2 TYR 31 5.533 -9.324 8.285
198 HH TYR 31 HH TYR 31 8.893 -9.017 8.964
199 H TYR 32 H TYR 32 5.720 -2.026 5.500
200 HA TYR 32 HA TYR 32 3.002 -1.032 5.311
201 HB2 TYR 32 HB2 TYR 32 4.436 -0.076 7.064
202 HB3 TYR 32 HB3 TYR 32 5.517 0.542 5.821
203 HD1 TYR 32 HD1 TYR 32 5.303 2.804 5.387
204 HD2 TYR 32 HD2 TYR 32 1.845 0.568 6.483
205 HE1 TYR 32 HE1 TYR 32 3.978 4.811 5.275
206 HE2 TYR 32 HE2 TYR 32 0.492 2.602 6.359
207 HH TYR 32 HH TYR 32 1.727 5.491 4.992
208 H SER 33 H SER 33 2.181 -0.681 3.385
209 HA SER 33 HA SER 33 3.849 0.581 1.327
210 HB2 SER 33 HB2 SER 33 1.747 -1.565 0.846
211 HB3 SER 33 HB3 SER 33 2.783 -0.820 -0.371
212 HG SER 33 HG SER 33 3.438 -2.948 0.451
213 H GLN 34 H GLN 34 2.693 2.239 0.221
214 HA GLN 34 HA GLN 34 -0.060 2.639 1.126
215 HB2 GLN 34 HB2 GLN 34 1.171 3.924 2.714
216 HB3 GLN 34 HB3 GLN 34 2.213 4.584 1.472
217 HG2 GLN 34 HG2 GLN 34 0.430 5.957 0.614
218 HG3 GLN 34 HG3 GLN 34 -0.718 5.186 1.707
219 HE21 GLN 34 HE21 GLN 34 -0.924 5.955 3.756
220 HE22 GLN 34 HE22 GLN 34 -0.017 7.259 4.395
221 H CYS 35 H CYS 35 -1.431 3.511 -0.308
222 HA CYS 35 HA CYS 35 -0.573 3.871 -3.048
223 HB2 CYS 35 HB2 CYS 35 -3.288 4.430 -1.825
224 HB3 CYS 35 HB3 CYS 35 -2.914 4.383 -3.537
225 H LEU 36 H LEU 36 0.499 5.663 -3.479
226 HA LEU 36 HA LEU 36 -0.602 8.201 -2.509
227 HB2 LEU 36 HB2 LEU 36 2.246 7.502 -3.229
228 HB3 LEU 36 HB3 LEU 36 1.683 9.130 -2.911
229 HG LEU 36 HG LEU 36 1.617 6.877 -0.907
230 HD11 LEU 36 HD11 LEU 36 3.472 9.251 -1.110
231 HD12 LEU 36 HD12 LEU 36 3.907 7.564 -1.405
232 HD13 LEU 36 HD13 LEU 36 3.410 8.079 0.207
233 HD21 LEU 36 HD21 LEU 36 1.117 8.685 0.679
234 HD22 LEU 36 HD22 LEU 36 -0.141 8.494 -0.531
235 HD23 LEU 36 HD23 LEU 36 1.014 9.822 -0.664
236 H1 MAN 101 H1 MAN 101 -9.197 6.099 2.118
237 H2 MAN 101 H2 MAN 101 -7.074 5.766 3.285
238 H3 MAN 101 H3 MAN 101 -6.909 3.327 2.921
239 H4 MAN 101 H4 MAN 101 -9.163 3.165 4.952
240 H5 MAN 101 H5 MAN 101 -9.080 2.392 1.994
241 H61 MAN 101 H61 MAN 101 -10.567 1.044 3.436
242 H62 MAN 101 H62 MAN 101 -11.464 1.996 2.222
243 HO2 MAN 101 HO2 MAN 101 -9.013 6.455 4.366
244 HO3 MAN 101 HO3 MAN 101 -7.081 4.071 5.663
245 HO4 MAN 101 HO4 MAN 101 -7.553 1.540 5.005
246 HO6 MAN 101 HO6 MAN 101 -11.861 3.555 3.875