NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
616852 |
5x37   |
36053 | 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 -6.699 -7.359 5.634
2 H2 THR 1 H2 THR 1 -5.156 -7.292 6.219
3 H3 THR 1 H3 THR 1 -5.690 -8.708 5.441
4 HA THR 1 HA THR 1 -4.321 -7.424 3.936
5 HB THR 1 HB THR 1 -6.141 -6.789 2.232
6 HG1 THR 1 HG1 THR 1 -8.191 -8.030 3.230
7 HG21 THR 1 HG21 THR 1 -5.062 -9.010 2.258
8 HG22 THR 1 HG22 THR 1 -6.767 -9.124 1.820
9 HG23 THR 1 HG23 THR 1 -6.247 -9.557 3.447
10 H GLN 2 H GLN 2 -3.911 -5.351 2.923
11 HA GLN 2 HA GLN 2 -4.427 -3.251 4.797
12 HB2 GLN 2 HB2 GLN 2 -2.336 -3.875 3.081
13 HB3 GLN 2 HB3 GLN 2 -3.042 -2.444 2.356
14 HG2 GLN 2 HG2 GLN 2 -2.185 -2.661 5.240
15 HG3 GLN 2 HG3 GLN 2 -1.199 -1.952 3.979
16 HE21 GLN 2 HE21 GLN 2 -3.456 -0.678 2.676
17 HE22 GLN 2 HE22 GLN 2 -3.946 0.616 3.690
18 H SER 3 H SER 3 -5.650 -1.491 4.550
19 HA SER 3 HA SER 3 -7.906 -1.749 2.885
20 HB2 SER 3 HB2 SER 3 -8.437 0.417 4.183
21 HB3 SER 3 HB3 SER 3 -8.347 -1.114 5.055
22 HG SER 3 HG SER 3 -6.694 1.094 5.173
23 H HIS 4 H HIS 4 -8.832 0.079 1.785
24 HA HIS 4 HA HIS 4 -7.257 1.055 -0.344
25 HB2 HIS 4 HB2 HIS 4 -9.773 0.555 -0.255
26 HB3 HIS 4 HB3 HIS 4 -9.949 2.106 0.545
27 HD1 HIS 4 HD1 HIS 4 -11.464 2.826 -1.476
28 HD2 HIS 4 HD2 HIS 4 -7.534 1.992 -2.478
29 HE1 HIS 4 HE1 HIS 4 -11.186 3.633 -3.832
30 HE2 HIS 4 HE2 HIS 4 -8.956 2.698 -4.487
31 H TYR 5 H TYR 5 -6.076 2.867 -0.509
32 HA TYR 5 HA TYR 5 -5.139 4.824 -0.192
33 HB2 TYR 5 HB2 TYR 5 -7.655 5.462 1.328
34 HB3 TYR 5 HB3 TYR 5 -6.319 6.611 1.280
35 HD1 TYR 5 HD1 TYR 5 -8.989 5.028 -0.659
36 HD2 TYR 5 HD2 TYR 5 -5.671 7.677 -0.811
37 HE1 TYR 5 HE1 TYR 5 -9.729 5.824 -2.866
38 HE2 TYR 5 HE2 TYR 5 -6.405 8.484 -3.009
39 HH TYR 5 HH TYR 5 -7.735 7.719 -4.877
40 H GLY 6 H GLY 6 -4.812 2.537 1.690
41 HA2 GLY 6 HA2 GLY 6 -3.303 4.064 3.699
42 HA3 GLY 6 HA3 GLY 6 -3.837 2.397 3.914
43 H GLN 7 H GLN 7 -1.187 2.980 4.293
44 HA GLN 7 HA GLN 7 0.248 2.555 1.839
45 HB2 GLN 7 HB2 GLN 7 1.248 3.985 3.583
46 HB3 GLN 7 HB3 GLN 7 1.281 2.618 4.688
47 HG2 GLN 7 HG2 GLN 7 2.893 1.475 3.339
48 HG3 GLN 7 HG3 GLN 7 2.787 2.674 2.063
49 HE21 GLN 7 HE21 GLN 7 5.132 1.826 3.457
50 HE22 GLN 7 HE22 GLN 7 5.786 3.193 4.261
51 H CYS 8 H CYS 8 0.523 0.713 0.956
52 HA CYS 8 HA CYS 8 -0.186 -1.716 2.320
53 HB2 CYS 8 HB2 CYS 8 0.289 -2.747 0.070
54 HB3 CYS 8 HB3 CYS 8 -1.004 -1.554 0.134
55 H GLY 9 H GLY 9 2.768 -0.560 0.687
56 HA2 GLY 9 HA2 GLY 9 4.474 -1.777 2.537
57 HA3 GLY 9 HA3 GLY 9 4.188 -2.890 1.206
58 H GLY 10 H GLY 10 5.672 -0.010 2.205
59 HA2 GLY 10 HA2 GLY 10 7.018 0.155 -0.396
60 HA3 GLY 10 HA3 GLY 10 6.861 1.507 0.735
61 H ILE 11 H ILE 11 9.332 1.249 0.176
62 HA ILE 11 HA ILE 11 10.825 -0.747 1.451
63 HB ILE 11 HB ILE 11 11.589 2.134 0.854
64 HG12 ILE 11 HG12 ILE 11 12.089 -0.396 -0.737
65 HG13 ILE 11 HG13 ILE 11 10.910 0.848 -1.142
66 HG21 ILE 11 HG21 ILE 11 13.365 -0.227 1.463
67 HG22 ILE 11 HG22 ILE 11 13.082 1.160 2.517
68 HG23 ILE 11 HG23 ILE 11 13.910 1.377 0.973
69 HD11 ILE 11 HD11 ILE 11 13.899 1.214 -1.034
70 HD12 ILE 11 HD12 ILE 11 12.722 2.457 -1.463
71 HD13 ILE 11 HD13 ILE 11 12.927 1.043 -2.495
72 H GLY 12 H GLY 12 10.827 -1.191 3.572
73 HA2 GLY 12 HA2 GLY 12 11.535 -0.566 5.745
74 HA3 GLY 12 HA3 GLY 12 10.965 1.065 5.427
75 H TYR 13 H TYR 13 8.518 -0.486 4.173
76 HA TYR 13 HA TYR 13 7.040 -0.394 6.687
77 HB2 TYR 13 HB2 TYR 13 6.099 0.749 4.679
78 HB3 TYR 13 HB3 TYR 13 5.999 -0.811 3.875
79 HD1 TYR 13 HD1 TYR 13 4.305 -2.482 4.620
80 HD2 TYR 13 HD2 TYR 13 4.481 1.400 6.344
81 HE1 TYR 13 HE1 TYR 13 2.056 -2.806 5.547
82 HE2 TYR 13 HE2 TYR 13 2.227 1.088 7.282
83 HH TYR 13 HH TYR 13 0.215 -0.294 6.664
84 H SER 14 H SER 14 6.923 -2.169 7.806
85 HA SER 14 HA SER 14 7.003 -4.772 6.453
86 HB2 SER 14 HB2 SER 14 7.659 -3.954 9.295
87 HB3 SER 14 HB3 SER 14 7.782 -5.592 8.664
88 H GLY 15 H GLY 15 5.077 -5.791 6.386
89 HA2 GLY 15 HA2 GLY 15 3.429 -6.347 8.440
90 HA3 GLY 15 HA3 GLY 15 2.867 -4.776 7.870
91 HA PRO 16 HA PRO 16 0.800 -7.898 5.235
92 HB2 PRO 16 HB2 PRO 16 -1.581 -6.237 5.505
93 HB3 PRO 16 HB3 PRO 16 -1.354 -7.913 6.009
94 HG2 PRO 16 HG2 PRO 16 -1.631 -5.859 7.772
95 HG3 PRO 16 HG3 PRO 16 -0.710 -7.328 8.131
96 HD2 PRO 16 HD2 PRO 16 0.279 -4.629 7.283
97 HD3 PRO 16 HD3 PRO 16 0.942 -5.742 8.502
98 H THR 17 H THR 17 1.724 -7.355 3.328
99 HA THR 17 HA THR 17 1.417 -4.716 2.242
100 HB THR 17 HB THR 17 2.974 -5.708 0.459
101 HG1 THR 17 HG1 THR 17 3.064 -7.843 0.614
102 HG21 THR 17 HG21 THR 17 3.723 -4.329 2.406
103 HG22 THR 17 HG22 THR 17 4.918 -5.528 1.914
104 HG23 THR 17 HG23 THR 17 3.913 -5.811 3.333
105 H VAL 18 H VAL 18 -0.219 -7.595 2.087
106 HA VAL 18 HA VAL 18 -1.189 -7.346 -0.628
107 HB VAL 18 HB VAL 18 -2.186 -9.120 1.632
108 HG11 VAL 18 HG11 VAL 18 -2.743 -9.278 -1.333
109 HG12 VAL 18 HG12 VAL 18 -3.891 -8.789 -0.088
110 HG13 VAL 18 HG13 VAL 18 -3.279 -10.441 -0.120
111 HG21 VAL 18 HG21 VAL 18 -0.327 -9.758 -0.657
112 HG22 VAL 18 HG22 VAL 18 -0.942 -10.921 0.518
113 HG23 VAL 18 HG23 VAL 18 0.126 -9.619 1.040
114 H CYS 19 H CYS 19 -2.832 -6.088 -1.221
115 HA CYS 19 HA CYS 19 -4.272 -4.602 0.785
116 HB2 CYS 19 HB2 CYS 19 -4.333 -4.363 -2.260
117 HB3 CYS 19 HB3 CYS 19 -5.080 -3.266 -1.098
118 H ALA 20 H ALA 20 -6.640 -4.263 0.394
119 HA ALA 20 HA ALA 20 -7.995 -6.749 0.468
120 HB1 ALA 20 HB1 ALA 20 -9.116 -3.956 0.209
121 HB2 ALA 20 HB2 ALA 20 -8.774 -4.794 1.722
122 HB3 ALA 20 HB3 ALA 20 -10.035 -5.398 0.646
123 H SER 21 H SER 21 -9.675 -7.461 -0.967
124 HA SER 21 HA SER 21 -8.953 -7.734 -3.581
125 HB2 SER 21 HB2 SER 21 -11.722 -7.944 -2.399
126 HB3 SER 21 HB3 SER 21 -11.211 -8.631 -3.941
127 HG SER 21 HG SER 21 -11.056 -10.216 -2.474
128 H GLY 22 H GLY 22 -8.882 -6.424 -5.211
129 HA2 GLY 22 HA2 GLY 22 -9.995 -5.095 -6.818
130 HA3 GLY 22 HA3 GLY 22 -11.020 -4.462 -5.539
131 H THR 23 H THR 23 -8.252 -4.302 -4.017
132 HA THR 23 HA THR 23 -7.615 -1.706 -5.206
133 HB THR 23 HB THR 23 -6.763 -0.992 -2.972
134 HG1 THR 23 HG1 THR 23 -7.366 -3.638 -2.332
135 HG21 THR 23 HG21 THR 23 -9.622 -1.941 -3.007
136 HG22 THR 23 HG22 THR 23 -9.016 -0.414 -3.650
137 HG23 THR 23 HG23 THR 23 -8.958 -0.725 -1.917
138 H THR 24 H THR 24 -5.546 -1.177 -5.622
139 HA THR 24 HA THR 24 -3.760 -3.494 -5.625
140 HB THR 24 HB THR 24 -2.654 -2.328 -7.584
141 HG1 THR 24 HG1 THR 24 -4.829 -0.561 -7.116
142 HG21 THR 24 HG21 THR 24 -5.565 -3.064 -7.873
143 HG22 THR 24 HG22 THR 24 -4.208 -4.190 -7.887
144 HG23 THR 24 HG23 THR 24 -4.386 -3.004 -9.183
145 H CYS 25 H CYS 25 -1.771 -3.352 -4.811
146 HA CYS 25 HA CYS 25 -1.050 -1.065 -3.255
147 HB2 CYS 25 HB2 CYS 25 -0.463 -3.343 -2.505
148 HB3 CYS 25 HB3 CYS 25 0.517 -3.575 -3.947
149 H GLN 26 H GLN 26 -0.683 0.670 -4.525
150 HA GLN 26 HA GLN 26 1.170 0.362 -6.763
151 HB2 GLN 26 HB2 GLN 26 -0.679 2.643 -6.080
152 HB3 GLN 26 HB3 GLN 26 0.384 2.581 -7.476
153 HG2 GLN 26 HG2 GLN 26 -0.842 0.581 -8.261
154 HG3 GLN 26 HG3 GLN 26 -1.951 0.779 -6.904
155 HE21 GLN 26 HE21 GLN 26 -3.676 1.086 -8.252
156 HE22 GLN 26 HE22 GLN 26 -3.906 2.544 -9.164
157 H VAL 27 H VAL 27 3.129 1.059 -6.585
158 HA VAL 27 HA VAL 27 4.001 2.366 -4.181
159 HB VAL 27 HB VAL 27 5.585 1.771 -6.698
160 HG11 VAL 27 HG11 VAL 27 7.532 1.801 -5.214
161 HG12 VAL 27 HG12 VAL 27 6.487 2.247 -3.866
162 HG13 VAL 27 HG13 VAL 27 6.685 3.349 -5.229
163 HG21 VAL 27 HG21 VAL 27 5.216 0.029 -4.261
164 HG22 VAL 27 HG22 VAL 27 6.338 -0.290 -5.584
165 HG23 VAL 27 HG23 VAL 27 4.600 -0.294 -5.881
166 H LEU 28 H LEU 28 3.487 4.454 -4.030
167 HA LEU 28 HA LEU 28 3.248 6.113 -6.408
168 HB2 LEU 28 HB2 LEU 28 2.849 6.876 -3.515
169 HB3 LEU 28 HB3 LEU 28 2.362 7.798 -4.920
170 HG LEU 28 HG LEU 28 1.167 5.194 -3.976
171 HD11 LEU 28 HD11 LEU 28 -0.836 6.552 -3.619
172 HD12 LEU 28 HD12 LEU 28 0.068 7.992 -4.082
173 HD13 LEU 28 HD13 LEU 28 0.520 7.095 -2.633
174 HD21 LEU 28 HD21 LEU 28 0.441 6.893 -6.354
175 HD22 LEU 28 HD22 LEU 28 -0.463 5.492 -5.770
176 HD23 LEU 28 HD23 LEU 28 1.169 5.283 -6.411
177 H ASN 29 H ASN 29 5.107 5.895 -3.456
178 HA ASN 29 HA ASN 29 7.119 7.719 -4.562
179 HB2 ASN 29 HB2 ASN 29 6.245 7.514 -1.650
180 HB3 ASN 29 HB3 ASN 29 7.490 8.568 -2.285
181 HD21 ASN 29 HD21 ASN 29 5.097 9.264 -0.747
182 HD22 ASN 29 HD22 ASN 29 4.219 10.340 -1.746
183 HA PRO 30 HA PRO 30 10.106 4.525 -3.661
184 HB2 PRO 30 HB2 PRO 30 11.330 6.253 -1.559
185 HB3 PRO 30 HB3 PRO 30 12.108 5.398 -2.895
186 HG2 PRO 30 HG2 PRO 30 11.733 8.003 -3.054
187 HG3 PRO 30 HG3 PRO 30 11.434 6.973 -4.467
188 HD2 PRO 30 HD2 PRO 30 9.485 8.248 -2.606
189 HD3 PRO 30 HD3 PRO 30 9.366 8.019 -4.362
190 H TYR 31 H TYR 31 8.885 6.097 -0.694
191 HA TYR 31 HA TYR 31 9.068 3.451 0.577
192 HB2 TYR 31 HB2 TYR 31 8.778 6.147 1.923
193 HB3 TYR 31 HB3 TYR 31 9.037 4.602 2.718
194 HD1 TYR 31 HD1 TYR 31 10.602 7.271 0.757
195 HD2 TYR 31 HD2 TYR 31 11.236 3.553 2.706
196 HE1 TYR 31 HE1 TYR 31 13.016 7.602 0.584
197 HE2 TYR 31 HE2 TYR 31 13.661 3.877 2.548
198 HH TYR 31 HH TYR 31 15.037 6.850 1.733
199 H TYR 32 H TYR 32 6.891 5.957 -0.420
200 HA TYR 32 HA TYR 32 4.744 4.775 1.131
201 HB2 TYR 32 HB2 TYR 32 5.030 7.280 0.938
202 HB3 TYR 32 HB3 TYR 32 4.503 7.123 -0.734
203 HD1 TYR 32 HD1 TYR 32 3.470 6.502 2.751
204 HD2 TYR 32 HD2 TYR 32 2.178 7.052 -1.266
205 HE1 TYR 32 HE1 TYR 32 1.154 6.650 3.527
206 HE2 TYR 32 HE2 TYR 32 -0.156 7.202 -0.486
207 HH TYR 32 HH TYR 32 -0.876 7.561 2.837
208 H SER 33 H SER 33 3.730 3.131 0.344
209 HA SER 33 HA SER 33 2.955 3.155 -2.477
210 HB2 SER 33 HB2 SER 33 3.493 0.729 -0.731
211 HB3 SER 33 HB3 SER 33 3.102 0.718 -2.454
212 HG SER 33 HG SER 33 5.216 2.328 -1.926
213 H GLN 34 H GLN 34 0.738 2.770 -2.774
214 HA GLN 34 HA GLN 34 -0.827 2.637 -0.284
215 HB2 GLN 34 HB2 GLN 34 -0.578 4.956 -0.935
216 HB3 GLN 34 HB3 GLN 34 -1.103 4.585 -2.563
217 HG2 GLN 34 HG2 GLN 34 -3.329 4.095 -1.760
218 HG3 GLN 34 HG3 GLN 34 -2.807 4.358 -0.096
219 HE21 GLN 34 HE21 GLN 34 -2.408 6.456 0.607
220 HE22 GLN 34 HE22 GLN 34 -2.954 7.822 -0.281
221 H CYS 35 H CYS 35 -2.752 1.492 -0.411
222 HA CYS 35 HA CYS 35 -3.184 -0.114 -2.733
223 HB2 CYS 35 HB2 CYS 35 -4.957 0.151 -0.291
224 HB3 CYS 35 HB3 CYS 35 -4.961 -1.100 -1.505
225 H LEU 36 H LEU 36 -4.037 0.819 -4.414
226 HA LEU 36 HA LEU 36 -6.296 2.649 -4.092
227 HB2 LEU 36 HB2 LEU 36 -4.275 2.391 -6.318
228 HB3 LEU 36 HB3 LEU 36 -5.705 3.401 -6.408
229 HG LEU 36 HG LEU 36 -3.463 3.744 -4.420
230 HD11 LEU 36 HD11 LEU 36 -2.778 4.324 -6.688
231 HD12 LEU 36 HD12 LEU 36 -2.940 5.765 -5.685
232 HD13 LEU 36 HD13 LEU 36 -4.194 5.360 -6.857
233 HD21 LEU 36 HD21 LEU 36 -5.589 4.459 -3.503
234 HD22 LEU 36 HD22 LEU 36 -5.935 5.377 -4.965
235 HD23 LEU 36 HD23 LEU 36 -4.609 5.865 -3.914
236 H1 MAN 101 H1 MAN 101 9.811 -6.214 7.855
237 H2 MAN 101 H2 MAN 101 11.794 -4.678 7.871
238 H3 MAN 101 H3 MAN 101 10.943 -2.949 6.331
239 H4 MAN 101 H4 MAN 101 11.151 -5.116 4.173
240 H5 MAN 101 H5 MAN 101 8.674 -3.737 5.338
241 H61 MAN 101 H61 MAN 101 7.437 -5.384 4.101
242 H62 MAN 101 H62 MAN 101 8.908 -6.152 3.456
243 HO2 MAN 101 HO2 MAN 101 11.413 -6.441 5.644
244 HO3 MAN 101 HO3 MAN 101 13.129 -4.493 5.328
245 HO4 MAN 101 HO4 MAN 101 10.148 -3.432 2.985
246 HO6 MAN 101 HO6 MAN 101 7.747 -3.596 2.946
Start of MODEL 2
1 H1 THR 1 H1 THR 1 -6.370 -9.064 5.111
2 H2 THR 1 H2 THR 1 -7.259 -7.625 5.177
3 H3 THR 1 H3 THR 1 -5.885 -7.798 6.149
4 HA THR 1 HA THR 1 -4.531 -7.808 4.207
5 HB THR 1 HB THR 1 -5.777 -7.003 2.076
6 HG1 THR 1 HG1 THR 1 -7.984 -8.011 2.103
7 HG21 THR 1 HG21 THR 1 -4.725 -9.214 2.268
8 HG22 THR 1 HG22 THR 1 -6.244 -9.316 1.381
9 HG23 THR 1 HG23 THR 1 -6.171 -9.833 3.064
10 H GLN 2 H GLN 2 -4.071 -5.665 2.981
11 HA GLN 2 HA GLN 2 -4.379 -3.710 5.047
12 HB2 GLN 2 HB2 GLN 2 -2.245 -4.383 3.656
13 HB3 GLN 2 HB3 GLN 2 -2.849 -3.205 2.508
14 HG2 GLN 2 HG2 GLN 2 -2.356 -2.574 5.415
15 HG3 GLN 2 HG3 GLN 2 -1.117 -2.380 4.187
16 HE21 GLN 2 HE21 GLN 2 -2.931 -1.406 2.167
17 HE22 GLN 2 HE22 GLN 2 -3.420 0.155 2.660
18 H SER 3 H SER 3 -5.425 -1.849 4.965
19 HA SER 3 HA SER 3 -7.841 -1.659 3.634
20 HB2 SER 3 HB2 SER 3 -6.344 0.514 5.071
21 HB3 SER 3 HB3 SER 3 -8.091 0.363 4.874
22 HG SER 3 HG SER 3 -8.158 -1.219 6.289
23 H HIS 4 H HIS 4 -8.686 -0.023 2.300
24 HA HIS 4 HA HIS 4 -7.180 0.712 0.005
25 HB2 HIS 4 HB2 HIS 4 -9.710 0.271 0.172
26 HB3 HIS 4 HB3 HIS 4 -9.835 1.852 0.917
27 HD1 HIS 4 HD1 HIS 4 -11.466 2.175 -1.237
28 HD2 HIS 4 HD2 HIS 4 -7.411 1.949 -2.014
29 HE1 HIS 4 HE1 HIS 4 -11.181 2.956 -3.616
30 HE2 HIS 4 HE2 HIS 4 -8.808 2.225 -4.089
31 H TYR 5 H TYR 5 -6.091 2.595 -0.378
32 HA TYR 5 HA TYR 5 -5.137 4.536 -0.130
33 HB2 TYR 5 HB2 TYR 5 -7.468 5.163 1.669
34 HB3 TYR 5 HB3 TYR 5 -6.148 6.305 1.458
35 HD1 TYR 5 HD1 TYR 5 -9.114 4.840 -0.049
36 HD2 TYR 5 HD2 TYR 5 -5.714 7.288 -0.754
37 HE1 TYR 5 HE1 TYR 5 -10.162 5.709 -2.101
38 HE2 TYR 5 HE2 TYR 5 -6.747 8.158 -2.796
39 HH TYR 5 HH TYR 5 -10.013 7.690 -3.500
40 H GLY 6 H GLY 6 -4.933 2.226 1.942
41 HA2 GLY 6 HA2 GLY 6 -3.328 3.680 3.879
42 HA3 GLY 6 HA3 GLY 6 -3.721 1.961 3.940
43 H GLN 7 H GLN 7 -1.146 2.971 4.303
44 HA GLN 7 HA GLN 7 0.412 2.646 1.929
45 HB2 GLN 7 HB2 GLN 7 1.239 3.990 3.799
46 HB3 GLN 7 HB3 GLN 7 1.208 2.586 4.846
47 HG2 GLN 7 HG2 GLN 7 2.984 1.556 3.590
48 HG3 GLN 7 HG3 GLN 7 3.023 2.872 2.431
49 HE21 GLN 7 HE21 GLN 7 5.205 3.547 2.953
50 HE22 GLN 7 HE22 GLN 7 5.541 4.224 4.487
51 H CYS 8 H CYS 8 0.674 0.841 0.943
52 HA CYS 8 HA CYS 8 0.024 -1.668 2.237
53 HB2 CYS 8 HB2 CYS 8 0.240 -2.568 -0.084
54 HB3 CYS 8 HB3 CYS 8 -1.020 -1.368 0.178
55 H GLY 9 H GLY 9 2.946 -0.245 0.781
56 HA2 GLY 9 HA2 GLY 9 4.616 -2.001 2.168
57 HA3 GLY 9 HA3 GLY 9 4.217 -2.771 0.647
58 H GLY 10 H GLY 10 5.474 0.164 2.037
59 HA2 GLY 10 HA2 GLY 10 7.182 0.406 -0.335
60 HA3 GLY 10 HA3 GLY 10 6.728 1.754 0.717
61 H ILE 11 H ILE 11 9.337 1.416 0.322
62 HA ILE 11 HA ILE 11 10.688 -0.289 2.084
63 HB ILE 11 HB ILE 11 11.487 2.460 1.077
64 HG12 ILE 11 HG12 ILE 11 12.186 -0.296 0.040
65 HG13 ILE 11 HG13 ILE 11 11.046 0.815 -0.702
66 HG21 ILE 11 HG21 ILE 11 12.799 1.861 3.039
67 HG22 ILE 11 HG22 ILE 11 13.806 1.785 1.590
68 HG23 ILE 11 HG23 ILE 11 13.191 0.301 2.319
69 HD11 ILE 11 HD11 ILE 11 13.173 0.835 -1.864
70 HD12 ILE 11 HD12 ILE 11 13.999 1.271 -0.369
71 HD13 ILE 11 HD13 ILE 11 12.859 2.396 -1.107
72 H GLY 12 H GLY 12 10.748 -0.299 4.231
73 HA2 GLY 12 HA2 GLY 12 11.119 0.951 6.308
74 HA3 GLY 12 HA3 GLY 12 10.085 2.204 5.633
75 H TYR 13 H TYR 13 8.276 0.165 4.507
76 HA TYR 13 HA TYR 13 6.775 -0.352 6.966
77 HB2 TYR 13 HB2 TYR 13 5.609 1.041 5.292
78 HB3 TYR 13 HB3 TYR 13 5.861 -0.197 4.074
79 HD1 TYR 13 HD1 TYR 13 3.919 0.725 7.059
80 HD2 TYR 13 HD2 TYR 13 4.468 -2.177 4.020
81 HE1 TYR 13 HE1 TYR 13 1.756 -0.304 7.645
82 HE2 TYR 13 HE2 TYR 13 2.324 -3.202 4.583
83 HH TYR 13 HH TYR 13 0.651 -3.227 5.944
84 H SER 14 H SER 14 5.951 -2.437 7.354
85 HA SER 14 HA SER 14 6.194 -4.456 5.407
86 HB2 SER 14 HB2 SER 14 7.597 -5.949 6.934
87 HB3 SER 14 HB3 SER 14 8.432 -4.665 6.064
88 H GLY 15 H GLY 15 5.205 -6.476 6.095
89 HA2 GLY 15 HA2 GLY 15 3.924 -7.532 7.948
90 HA3 GLY 15 HA3 GLY 15 3.210 -5.941 8.188
91 HA PRO 16 HA PRO 16 0.202 -7.627 5.285
92 HB2 PRO 16 HB2 PRO 16 -1.408 -5.267 5.752
93 HB3 PRO 16 HB3 PRO 16 -1.740 -6.922 6.264
94 HG2 PRO 16 HG2 PRO 16 -1.120 -4.855 7.970
95 HG3 PRO 16 HG3 PRO 16 -0.889 -6.564 8.350
96 HD2 PRO 16 HD2 PRO 16 1.089 -4.520 7.483
97 HD3 PRO 16 HD3 PRO 16 1.286 -5.883 8.614
98 H THR 17 H THR 17 1.303 -7.322 3.396
99 HA THR 17 HA THR 17 1.548 -4.647 2.325
100 HB THR 17 HB THR 17 2.910 -5.942 0.597
101 HG1 THR 17 HG1 THR 17 3.382 -8.010 1.039
102 HG21 THR 17 HG21 THR 17 3.798 -5.941 3.487
103 HG22 THR 17 HG22 THR 17 3.898 -4.572 2.382
104 HG23 THR 17 HG23 THR 17 4.864 -6.021 2.081
105 H VAL 18 H VAL 18 -0.302 -7.449 2.035
106 HA VAL 18 HA VAL 18 -1.116 -6.924 -0.685
107 HB VAL 18 HB VAL 18 -2.100 -9.019 1.268
108 HG11 VAL 18 HG11 VAL 18 -3.729 -8.566 -0.498
109 HG12 VAL 18 HG12 VAL 18 -2.983 -10.151 -0.710
110 HG13 VAL 18 HG13 VAL 18 -2.477 -8.795 -1.720
111 HG21 VAL 18 HG21 VAL 18 -0.688 -10.548 -0.020
112 HG22 VAL 18 HG22 VAL 18 0.248 -9.280 0.779
113 HG23 VAL 18 HG23 VAL 18 -0.076 -9.180 -0.949
114 H CYS 19 H CYS 19 -2.750 -5.740 -1.205
115 HA CYS 19 HA CYS 19 -4.306 -4.377 0.768
116 HB2 CYS 19 HB2 CYS 19 -4.480 -4.308 -2.252
117 HB3 CYS 19 HB3 CYS 19 -5.142 -3.128 -1.123
118 H ALA 20 H ALA 20 -6.684 -4.206 0.461
119 HA ALA 20 HA ALA 20 -7.952 -6.728 0.494
120 HB1 ALA 20 HB1 ALA 20 -8.808 -4.777 1.729
121 HB2 ALA 20 HB2 ALA 20 -10.039 -5.443 0.656
122 HB3 ALA 20 HB3 ALA 20 -9.173 -3.974 0.202
123 H SER 21 H SER 21 -9.382 -7.655 -1.061
124 HA SER 21 HA SER 21 -8.602 -7.579 -3.685
125 HB2 SER 21 HB2 SER 21 -11.323 -8.353 -2.621
126 HB3 SER 21 HB3 SER 21 -10.607 -8.882 -4.142
127 HG SER 21 HG SER 21 -8.935 -9.838 -2.942
128 H GLY 22 H GLY 22 -8.887 -6.174 -5.246
129 HA2 GLY 22 HA2 GLY 22 -10.373 -4.870 -6.617
130 HA3 GLY 22 HA3 GLY 22 -11.195 -4.355 -5.147
131 H THR 23 H THR 23 -8.288 -4.259 -4.025
132 HA THR 23 HA THR 23 -7.690 -1.651 -5.183
133 HB THR 23 HB THR 23 -6.821 -0.912 -2.983
134 HG1 THR 23 HG1 THR 23 -7.428 -3.580 -2.287
135 HG21 THR 23 HG21 THR 23 -8.952 -0.789 -1.782
136 HG22 THR 23 HG22 THR 23 -9.605 -2.041 -2.840
137 HG23 THR 23 HG23 THR 23 -9.151 -0.474 -3.506
138 H THR 24 H THR 24 -5.567 -1.170 -5.579
139 HA THR 24 HA THR 24 -3.833 -3.533 -5.606
140 HB THR 24 HB THR 24 -2.824 -2.446 -7.647
141 HG1 THR 24 HG1 THR 24 -4.975 -0.641 -7.159
142 HG21 THR 24 HG21 THR 24 -4.627 -3.197 -9.154
143 HG22 THR 24 HG22 THR 24 -5.752 -3.195 -7.796
144 HG23 THR 24 HG23 THR 24 -4.406 -4.328 -7.818
145 H CYS 25 H CYS 25 -1.675 -3.276 -4.986
146 HA CYS 25 HA CYS 25 -1.115 -0.928 -3.421
147 HB2 CYS 25 HB2 CYS 25 -0.409 -3.159 -2.601
148 HB3 CYS 25 HB3 CYS 25 0.604 -3.352 -4.028
149 H GLN 26 H GLN 26 -0.697 0.819 -4.605
150 HA GLN 26 HA GLN 26 1.124 0.451 -6.826
151 HB2 GLN 26 HB2 GLN 26 -0.895 2.644 -6.340
152 HB3 GLN 26 HB3 GLN 26 0.246 2.626 -7.682
153 HG2 GLN 26 HG2 GLN 26 -0.706 0.491 -8.454
154 HG3 GLN 26 HG3 GLN 26 -1.872 0.549 -7.140
155 HE21 GLN 26 HE21 GLN 26 -3.587 0.496 -8.553
156 HE22 GLN 26 HE22 GLN 26 -4.037 1.805 -9.566
157 H VAL 27 H VAL 27 3.051 1.028 -6.648
158 HA VAL 27 HA VAL 27 4.068 2.401 -4.361
159 HB VAL 27 HB VAL 27 5.468 1.473 -6.897
160 HG11 VAL 27 HG11 VAL 27 6.647 2.283 -4.242
161 HG12 VAL 27 HG12 VAL 27 6.766 3.190 -5.750
162 HG13 VAL 27 HG13 VAL 27 7.544 1.614 -5.603
163 HG21 VAL 27 HG21 VAL 27 5.272 0.151 -4.200
164 HG22 VAL 27 HG22 VAL 27 6.204 -0.443 -5.575
165 HG23 VAL 27 HG23 VAL 27 4.442 -0.363 -5.666
166 H LEU 28 H LEU 28 3.766 4.501 -4.246
167 HA LEU 28 HA LEU 28 3.765 6.114 -6.668
168 HB2 LEU 28 HB2 LEU 28 3.209 6.931 -3.810
169 HB3 LEU 28 HB3 LEU 28 2.936 7.909 -5.234
170 HG LEU 28 HG LEU 28 1.428 5.420 -4.452
171 HD11 LEU 28 HD11 LEU 28 0.566 8.290 -4.668
172 HD12 LEU 28 HD12 LEU 28 0.798 7.368 -3.181
173 HD13 LEU 28 HD13 LEU 28 -0.485 6.920 -4.305
174 HD21 LEU 28 HD21 LEU 28 1.682 5.450 -6.863
175 HD22 LEU 28 HD22 LEU 28 1.165 7.131 -6.918
176 HD23 LEU 28 HD23 LEU 28 0.023 5.874 -6.434
177 H ASN 29 H ASN 29 5.426 5.797 -3.604
178 HA ASN 29 HA ASN 29 7.778 7.145 -4.742
179 HB2 ASN 29 HB2 ASN 29 6.829 7.272 -1.848
180 HB3 ASN 29 HB3 ASN 29 8.339 7.924 -2.447
181 HD21 ASN 29 HD21 ASN 29 6.344 9.251 -1.000
182 HD22 ASN 29 HD22 ASN 29 5.734 10.542 -1.968
183 HA PRO 30 HA PRO 30 9.857 3.383 -3.547
184 HB2 PRO 30 HB2 PRO 30 11.633 4.907 -1.695
185 HB3 PRO 30 HB3 PRO 30 12.065 3.782 -2.987
186 HG2 PRO 30 HG2 PRO 30 12.373 6.376 -3.353
187 HG3 PRO 30 HG3 PRO 30 11.727 5.366 -4.659
188 HD2 PRO 30 HD2 PRO 30 10.290 7.202 -2.792
189 HD3 PRO 30 HD3 PRO 30 10.025 6.956 -4.530
190 H TYR 31 H TYR 31 9.122 5.604 -0.883
191 HA TYR 31 HA TYR 31 8.919 3.317 0.960
192 HB2 TYR 31 HB2 TYR 31 8.606 6.231 1.688
193 HB3 TYR 31 HB3 TYR 31 9.072 4.889 2.718
194 HD1 TYR 31 HD1 TYR 31 10.225 7.432 0.405
195 HD2 TYR 31 HD2 TYR 31 11.364 3.940 2.537
196 HE1 TYR 31 HE1 TYR 31 12.582 7.957 -0.014
197 HE2 TYR 31 HE2 TYR 31 13.725 4.457 2.119
198 HH TYR 31 HH TYR 31 15.026 5.715 0.451
199 H TYR 32 H TYR 32 7.045 5.792 -0.674
200 HA TYR 32 HA TYR 32 4.720 5.049 0.876
201 HB2 TYR 32 HB2 TYR 32 5.233 7.485 0.429
202 HB3 TYR 32 HB3 TYR 32 4.763 7.188 -1.244
203 HD1 TYR 32 HD1 TYR 32 2.537 7.577 -1.823
204 HD2 TYR 32 HD2 TYR 32 3.512 6.651 2.211
205 HE1 TYR 32 HE1 TYR 32 0.186 7.924 -1.167
206 HE2 TYR 32 HE2 TYR 32 1.179 6.998 2.869
207 HH TYR 32 HH TYR 32 -1.333 7.335 0.573
208 H SER 33 H SER 33 3.548 3.459 0.243
209 HA SER 33 HA SER 33 2.872 3.243 -2.583
210 HB2 SER 33 HB2 SER 33 3.444 0.921 -0.714
211 HB3 SER 33 HB3 SER 33 3.020 0.809 -2.423
212 HG SER 33 HG SER 33 5.102 2.424 -2.217
213 H GLN 34 H GLN 34 0.673 3.055 -2.811
214 HA GLN 34 HA GLN 34 -0.834 2.747 -0.317
215 HB2 GLN 34 HB2 GLN 34 -0.733 5.101 -0.703
216 HB3 GLN 34 HB3 GLN 34 -1.090 4.905 -2.406
217 HG2 GLN 34 HG2 GLN 34 -3.361 4.316 -1.917
218 HG3 GLN 34 HG3 GLN 34 -3.015 4.284 -0.187
219 HE21 GLN 34 HE21 GLN 34 -3.032 6.172 0.956
220 HE22 GLN 34 HE22 GLN 34 -3.437 7.693 0.275
221 H CYS 35 H CYS 35 -2.685 1.573 -0.446
222 HA CYS 35 HA CYS 35 -3.143 0.049 -2.800
223 HB2 CYS 35 HB2 CYS 35 -4.877 0.282 -0.326
224 HB3 CYS 35 HB3 CYS 35 -4.963 -0.931 -1.580
225 H LEU 36 H LEU 36 -4.050 0.919 -4.463
226 HA LEU 36 HA LEU 36 -6.226 2.837 -4.126
227 HB2 LEU 36 HB2 LEU 36 -4.365 2.356 -6.465
228 HB3 LEU 36 HB3 LEU 36 -5.700 3.489 -6.474
229 HG LEU 36 HG LEU 36 -3.284 3.685 -4.666
230 HD11 LEU 36 HD11 LEU 36 -2.711 4.092 -7.003
231 HD12 LEU 36 HD12 LEU 36 -2.627 5.571 -6.045
232 HD13 LEU 36 HD13 LEU 36 -4.005 5.288 -7.109
233 HD21 LEU 36 HD21 LEU 36 -4.144 5.926 -4.163
234 HD22 LEU 36 HD22 LEU 36 -5.270 4.672 -3.659
235 HD23 LEU 36 HD23 LEU 36 -5.576 5.593 -5.135
236 H1 MAN 101 H1 MAN 101 9.650 -5.807 8.232
237 H2 MAN 101 H2 MAN 101 9.319 -4.667 10.464
238 H3 MAN 101 H3 MAN 101 9.081 -2.362 9.728
239 H4 MAN 101 H4 MAN 101 11.996 -2.673 8.857
240 H5 MAN 101 H5 MAN 101 9.429 -2.268 7.279
241 H61 MAN 101 H61 MAN 101 12.283 -2.637 6.267
242 H62 MAN 101 H62 MAN 101 11.423 -1.088 6.285
243 HO2 MAN 101 HO2 MAN 101 11.271 -5.749 9.981
244 HO3 MAN 101 HO3 MAN 101 11.549 -2.886 11.054
245 HO4 MAN 101 HO4 MAN 101 10.178 -0.465 8.675
246 HO6 MAN 101 HO6 MAN 101 9.751 -2.747 5.074
Start of MODEL 3
1 H1 THR 1 H1 THR 1 -6.580 -9.426 4.561
2 H2 THR 1 H2 THR 1 -7.388 -8.007 4.974
3 H3 THR 1 H3 THR 1 -5.883 -8.333 5.671
4 HA THR 1 HA THR 1 -4.895 -8.105 3.489
5 HB THR 1 HB THR 1 -6.450 -7.007 1.785
6 HG1 THR 1 HG1 THR 1 -8.727 -7.980 2.301
7 HG21 THR 1 HG21 THR 1 -7.326 -9.171 0.978
8 HG22 THR 1 HG22 THR 1 -6.961 -9.899 2.543
9 HG23 THR 1 HG23 THR 1 -5.653 -9.316 1.515
10 H GLN 2 H GLN 2 -4.402 -5.886 2.669
11 HA GLN 2 HA GLN 2 -4.628 -3.998 4.827
12 HB2 GLN 2 HB2 GLN 2 -2.671 -4.581 3.053
13 HB3 GLN 2 HB3 GLN 2 -3.435 -3.250 2.207
14 HG2 GLN 2 HG2 GLN 2 -2.247 -3.157 4.977
15 HG3 GLN 2 HG3 GLN 2 -1.556 -2.468 3.517
16 HE21 GLN 2 HE21 GLN 2 -2.633 -0.765 2.570
17 HE22 GLN 2 HE22 GLN 2 -3.653 0.279 3.494
18 H SER 3 H SER 3 -5.621 -1.935 4.643
19 HA SER 3 HA SER 3 -8.089 -1.981 3.173
20 HB2 SER 3 HB2 SER 3 -6.979 0.020 5.139
21 HB3 SER 3 HB3 SER 3 -8.650 -0.068 4.580
22 HG SER 3 HG SER 3 -8.741 -1.205 6.360
23 H HIS 4 H HIS 4 -8.897 0.057 2.193
24 HA HIS 4 HA HIS 4 -7.183 0.900 0.053
25 HB2 HIS 4 HB2 HIS 4 -9.736 0.509 -0.015
26 HB3 HIS 4 HB3 HIS 4 -9.884 2.040 0.823
27 HD1 HIS 4 HD1 HIS 4 -11.220 2.970 -1.235
28 HD2 HIS 4 HD2 HIS 4 -7.323 1.862 -2.072
29 HE1 HIS 4 HE1 HIS 4 -10.772 3.799 -3.564
30 HE2 HIS 4 HE2 HIS 4 -8.588 2.636 -4.112
31 H TYR 5 H TYR 5 -6.074 2.824 -0.112
32 HA TYR 5 HA TYR 5 -5.152 4.785 0.375
33 HB2 TYR 5 HB2 TYR 5 -7.579 5.205 2.119
34 HB3 TYR 5 HB3 TYR 5 -6.292 6.399 2.002
35 HD1 TYR 5 HD1 TYR 5 -9.259 5.091 0.478
36 HD2 TYR 5 HD2 TYR 5 -5.746 7.354 -0.271
37 HE1 TYR 5 HE1 TYR 5 -10.282 6.000 -1.554
38 HE2 TYR 5 HE2 TYR 5 -6.760 8.274 -2.311
39 HH TYR 5 HH TYR 5 -8.516 7.724 -3.912
40 H GLY 6 H GLY 6 -4.735 2.333 1.936
41 HA2 GLY 6 HA2 GLY 6 -3.219 3.650 4.070
42 HA3 GLY 6 HA3 GLY 6 -3.766 1.972 4.157
43 H GLN 7 H GLN 7 -1.065 2.997 4.349
44 HA GLN 7 HA GLN 7 0.327 2.469 1.938
45 HB2 GLN 7 HB2 GLN 7 1.278 3.891 3.683
46 HB3 GLN 7 HB3 GLN 7 1.277 2.547 4.811
47 HG2 GLN 7 HG2 GLN 7 2.954 1.404 3.484
48 HG3 GLN 7 HG3 GLN 7 2.917 2.698 2.287
49 HE21 GLN 7 HE21 GLN 7 5.151 3.142 2.598
50 HE22 GLN 7 HE22 GLN 7 5.694 3.929 4.013
51 H CYS 8 H CYS 8 0.736 0.588 1.035
52 HA CYS 8 HA CYS 8 0.073 -1.854 2.441
53 HB2 CYS 8 HB2 CYS 8 0.503 -2.885 0.149
54 HB3 CYS 8 HB3 CYS 8 -0.857 -1.774 0.283
55 H GLY 9 H GLY 9 2.916 -0.448 0.858
56 HA2 GLY 9 HA2 GLY 9 4.688 -1.478 2.687
57 HA3 GLY 9 HA3 GLY 9 4.507 -2.724 1.464
58 H GLY 10 H GLY 10 5.843 0.281 2.289
59 HA2 GLY 10 HA2 GLY 10 7.186 0.375 -0.319
60 HA3 GLY 10 HA3 GLY 10 6.998 1.762 0.767
61 H ILE 11 H ILE 11 9.499 1.455 0.174
62 HA ILE 11 HA ILE 11 10.983 -0.480 1.532
63 HB ILE 11 HB ILE 11 11.794 2.375 0.881
64 HG12 ILE 11 HG12 ILE 11 12.274 -0.200 -0.641
65 HG13 ILE 11 HG13 ILE 11 11.096 1.029 -1.075
66 HG21 ILE 11 HG21 ILE 11 14.114 1.586 1.045
67 HG22 ILE 11 HG22 ILE 11 13.538 -0.004 1.536
68 HG23 ILE 11 HG23 ILE 11 13.270 1.391 2.582
69 HD11 ILE 11 HD11 ILE 11 13.092 1.182 -2.446
70 HD12 ILE 11 HD12 ILE 11 14.082 1.394 -1.000
71 HD13 ILE 11 HD13 ILE 11 12.903 2.628 -1.454
72 H GLY 12 H GLY 12 11.044 -0.913 3.618
73 HA2 GLY 12 HA2 GLY 12 11.821 -0.310 5.791
74 HA3 GLY 12 HA3 GLY 12 11.196 1.310 5.525
75 H TYR 13 H TYR 13 8.752 -0.189 4.317
76 HA TYR 13 HA TYR 13 7.292 -0.007 6.787
77 HB2 TYR 13 HB2 TYR 13 6.273 0.997 4.821
78 HB3 TYR 13 HB3 TYR 13 6.327 -0.533 3.962
79 HD1 TYR 13 HD1 TYR 13 4.570 1.425 6.512
80 HD2 TYR 13 HD2 TYR 13 4.707 -2.312 4.491
81 HE1 TYR 13 HE1 TYR 13 2.324 0.876 7.362
82 HE2 TYR 13 HE2 TYR 13 2.480 -2.858 5.315
83 HH TYR 13 HH TYR 13 0.417 -0.647 6.604
84 H SER 14 H SER 14 6.415 -1.604 7.933
85 HA SER 14 HA SER 14 6.625 -4.371 6.955
86 HB2 SER 14 HB2 SER 14 6.886 -3.399 9.793
87 HB3 SER 14 HB3 SER 14 7.101 -5.059 9.237
88 H GLY 15 H GLY 15 4.550 -5.055 6.609
89 HA2 GLY 15 HA2 GLY 15 2.607 -5.159 8.586
90 HA3 GLY 15 HA3 GLY 15 2.296 -3.735 7.596
91 HA PRO 16 HA PRO 16 0.378 -7.336 5.411
92 HB2 PRO 16 HB2 PRO 16 -1.884 -5.546 4.974
93 HB3 PRO 16 HB3 PRO 16 -1.860 -7.102 5.804
94 HG2 PRO 16 HG2 PRO 16 -2.254 -4.745 7.100
95 HG3 PRO 16 HG3 PRO 16 -1.484 -6.147 7.858
96 HD2 PRO 16 HD2 PRO 16 -0.224 -3.693 6.695
97 HD3 PRO 16 HD3 PRO 16 0.193 -4.575 8.178
98 H THR 17 H THR 17 1.262 -7.400 3.442
99 HA THR 17 HA THR 17 1.476 -4.943 1.952
100 HB THR 17 HB THR 17 2.889 -6.446 0.410
101 HG1 THR 17 HG1 THR 17 2.995 -8.077 2.729
102 HG21 THR 17 HG21 THR 17 3.732 -5.947 3.275
103 HG22 THR 17 HG22 THR 17 3.853 -4.796 1.950
104 HG23 THR 17 HG23 THR 17 4.831 -6.265 1.933
105 H VAL 18 H VAL 18 -0.385 -7.832 1.886
106 HA VAL 18 HA VAL 18 -1.257 -7.360 -0.836
107 HB VAL 18 HB VAL 18 -2.192 -9.439 1.180
108 HG11 VAL 18 HG11 VAL 18 -3.322 -10.515 -0.736
109 HG12 VAL 18 HG12 VAL 18 -2.870 -9.148 -1.754
110 HG13 VAL 18 HG13 VAL 18 -3.977 -8.911 -0.405
111 HG21 VAL 18 HG21 VAL 18 -0.957 -11.028 -0.215
112 HG22 VAL 18 HG22 VAL 18 0.111 -9.763 0.399
113 HG23 VAL 18 HG23 VAL 18 -0.449 -9.711 -1.269
114 H CYS 19 H CYS 19 -2.820 -6.058 -1.327
115 HA CYS 19 HA CYS 19 -4.363 -4.779 0.733
116 HB2 CYS 19 HB2 CYS 19 -4.359 -4.376 -2.264
117 HB3 CYS 19 HB3 CYS 19 -5.072 -3.306 -1.061
118 H ALA 20 H ALA 20 -6.707 -4.502 0.417
119 HA ALA 20 HA ALA 20 -8.108 -6.907 0.188
120 HB1 ALA 20 HB1 ALA 20 -8.943 -4.985 1.455
121 HB2 ALA 20 HB2 ALA 20 -10.121 -5.486 0.240
122 HB3 ALA 20 HB3 ALA 20 -9.114 -4.067 -0.042
123 H SER 21 H SER 21 -9.266 -7.815 -1.491
124 HA SER 21 HA SER 21 -8.418 -7.485 -4.096
125 HB2 SER 21 HB2 SER 21 -11.113 -8.517 -3.183
126 HB3 SER 21 HB3 SER 21 -10.266 -8.933 -4.672
127 HG SER 21 HG SER 21 -8.571 -9.761 -3.343
128 H GLY 22 H GLY 22 -8.773 -5.913 -5.524
129 HA2 GLY 22 HA2 GLY 22 -10.325 -4.517 -6.736
130 HA3 GLY 22 HA3 GLY 22 -11.173 -4.243 -5.217
131 H THR 23 H THR 23 -8.210 -4.140 -4.119
132 HA THR 23 HA THR 23 -7.705 -1.422 -5.053
133 HB THR 23 HB THR 23 -6.811 -0.851 -2.808
134 HG1 THR 23 HG1 THR 23 -7.427 -3.558 -2.292
135 HG21 THR 23 HG21 THR 23 -9.600 -1.989 -2.687
136 HG22 THR 23 HG22 THR 23 -9.152 -0.375 -3.241
137 HG23 THR 23 HG23 THR 23 -8.914 -0.824 -1.553
138 H THR 24 H THR 24 -5.550 -0.948 -5.477
139 HA THR 24 HA THR 24 -3.900 -3.369 -5.587
140 HB THR 24 HB THR 24 -2.806 -2.237 -7.589
141 HG1 THR 24 HG1 THR 24 -4.836 -0.392 -6.999
142 HG21 THR 24 HG21 THR 24 -5.722 -2.995 -7.794
143 HG22 THR 24 HG22 THR 24 -4.370 -4.123 -7.777
144 HG23 THR 24 HG23 THR 24 -4.561 -2.997 -9.122
145 H CYS 25 H CYS 25 -1.881 -3.323 -4.782
146 HA CYS 25 HA CYS 25 -1.067 -1.048 -3.253
147 HB2 CYS 25 HB2 CYS 25 -0.509 -3.339 -2.512
148 HB3 CYS 25 HB3 CYS 25 0.439 -3.586 -3.971
149 H GLN 26 H GLN 26 -0.654 0.688 -4.463
150 HA GLN 26 HA GLN 26 1.031 0.389 -6.827
151 HB2 GLN 26 HB2 GLN 26 -0.778 2.650 -5.973
152 HB3 GLN 26 HB3 GLN 26 0.228 2.660 -7.414
153 HG2 GLN 26 HG2 GLN 26 -1.008 0.753 -8.295
154 HG3 GLN 26 HG3 GLN 26 -2.005 0.727 -6.845
155 HE21 GLN 26 HE21 GLN 26 -3.841 1.030 -8.024
156 HE22 GLN 26 HE22 GLN 26 -4.278 2.548 -8.717
157 H VAL 27 H VAL 27 2.826 1.598 -7.081
158 HA VAL 27 HA VAL 27 4.062 2.497 -4.645
159 HB VAL 27 HB VAL 27 5.138 2.267 -7.478
160 HG11 VAL 27 HG11 VAL 27 6.358 3.955 -6.208
161 HG12 VAL 27 HG12 VAL 27 7.355 2.535 -6.507
162 HG13 VAL 27 HG13 VAL 27 6.640 2.791 -4.915
163 HG21 VAL 27 HG21 VAL 27 5.547 0.496 -5.075
164 HG22 VAL 27 HG22 VAL 27 6.340 0.306 -6.640
165 HG23 VAL 27 HG23 VAL 27 4.590 0.117 -6.505
166 H LEU 28 H LEU 28 3.621 4.543 -4.093
167 HA LEU 28 HA LEU 28 3.088 6.560 -6.120
168 HB2 LEU 28 HB2 LEU 28 3.013 6.679 -3.117
169 HB3 LEU 28 HB3 LEU 28 2.786 8.085 -4.125
170 HG LEU 28 HG LEU 28 0.862 6.718 -5.193
171 HD11 LEU 28 HD11 LEU 28 -0.240 5.161 -3.728
172 HD12 LEU 28 HD12 LEU 28 1.095 5.288 -2.581
173 HD13 LEU 28 HD13 LEU 28 1.371 4.593 -4.181
174 HD21 LEU 28 HD21 LEU 28 0.658 7.828 -2.411
175 HD22 LEU 28 HD22 LEU 28 -0.691 7.560 -3.533
176 HD23 LEU 28 HD23 LEU 28 0.589 8.718 -3.935
177 H ASN 29 H ASN 29 5.408 5.807 -3.630
178 HA ASN 29 HA ASN 29 7.502 7.398 -4.931
179 HB2 ASN 29 HB2 ASN 29 6.847 7.422 -1.930
180 HB3 ASN 29 HB3 ASN 29 8.367 7.961 -2.588
181 HD21 ASN 29 HD21 ASN 29 5.322 8.774 -4.093
182 HD22 ASN 29 HD22 ASN 29 5.308 10.425 -3.618
183 HA PRO 30 HA PRO 30 9.727 3.564 -4.079
184 HB2 PRO 30 HB2 PRO 30 11.739 4.983 -2.397
185 HB3 PRO 30 HB3 PRO 30 11.995 3.949 -3.806
186 HG2 PRO 30 HG2 PRO 30 12.273 6.583 -4.011
187 HG3 PRO 30 HG3 PRO 30 11.506 5.660 -5.313
188 HD2 PRO 30 HD2 PRO 30 10.265 7.365 -3.201
189 HD3 PRO 30 HD3 PRO 30 9.825 7.215 -4.913
190 H TYR 31 H TYR 31 9.218 5.697 -1.360
191 HA TYR 31 HA TYR 31 9.200 3.409 0.489
192 HB2 TYR 31 HB2 TYR 31 9.083 6.372 1.069
193 HB3 TYR 31 HB3 TYR 31 9.231 5.094 2.265
194 HD1 TYR 31 HD1 TYR 31 10.960 6.893 -0.440
195 HD2 TYR 31 HD2 TYR 31 11.365 4.070 2.706
196 HE1 TYR 31 HE1 TYR 31 13.396 7.040 -0.630
197 HE2 TYR 31 HE2 TYR 31 13.809 4.213 2.521
198 HH TYR 31 HH TYR 31 15.482 4.838 0.875
199 H TYR 32 H TYR 32 7.162 5.731 -1.068
200 HA TYR 32 HA TYR 32 4.930 5.158 0.714
201 HB2 TYR 32 HB2 TYR 32 5.478 7.534 -0.159
202 HB3 TYR 32 HB3 TYR 32 4.904 6.952 -1.705
203 HD1 TYR 32 HD1 TYR 32 2.817 5.294 0.462
204 HD2 TYR 32 HD2 TYR 32 3.623 9.237 -0.907
205 HE1 TYR 32 HE1 TYR 32 0.548 5.969 1.087
206 HE2 TYR 32 HE2 TYR 32 1.351 9.925 -0.270
207 HH TYR 32 HH TYR 32 -0.875 8.848 0.105
208 H SER 33 H SER 33 3.832 3.351 0.220
209 HA SER 33 HA SER 33 2.973 3.040 -2.534
210 HB2 SER 33 HB2 SER 33 3.847 0.663 -0.835
211 HB3 SER 33 HB3 SER 33 3.416 0.706 -2.556
212 HG SER 33 HG SER 33 5.317 2.343 -2.523
213 H GLN 34 H GLN 34 0.819 2.623 -2.594
214 HA GLN 34 HA GLN 34 -0.496 2.116 -0.029
215 HB2 GLN 34 HB2 GLN 34 -0.340 4.496 -0.152
216 HB3 GLN 34 HB3 GLN 34 -0.944 4.537 -1.786
217 HG2 GLN 34 HG2 GLN 34 -3.122 3.765 -0.976
218 HG3 GLN 34 HG3 GLN 34 -2.487 3.748 0.668
219 HE21 GLN 34 HE21 GLN 34 -2.113 5.699 1.710
220 HE22 GLN 34 HE22 GLN 34 -2.729 7.186 1.093
221 H CYS 35 H CYS 35 -2.523 1.187 -0.161
222 HA CYS 35 HA CYS 35 -3.121 -0.212 -2.561
223 HB2 CYS 35 HB2 CYS 35 -4.832 0.054 -0.085
224 HB3 CYS 35 HB3 CYS 35 -4.908 -1.173 -1.327
225 H LEU 36 H LEU 36 -3.908 0.892 -4.158
226 HA LEU 36 HA LEU 36 -6.091 2.763 -3.688
227 HB2 LEU 36 HB2 LEU 36 -4.062 2.677 -5.928
228 HB3 LEU 36 HB3 LEU 36 -5.441 3.754 -5.878
229 HG LEU 36 HG LEU 36 -3.137 3.779 -3.928
230 HD11 LEU 36 HD11 LEU 36 -2.507 4.586 -6.140
231 HD12 LEU 36 HD12 LEU 36 -2.575 5.909 -4.975
232 HD13 LEU 36 HD13 LEU 36 -3.883 5.688 -6.134
233 HD21 LEU 36 HD21 LEU 36 -5.211 4.471 -2.861
234 HD22 LEU 36 HD22 LEU 36 -5.543 5.585 -4.184
235 HD23 LEU 36 HD23 LEU 36 -4.163 5.864 -3.123
236 H1 MAN 101 H1 MAN 101 9.321 -5.139 10.100
237 H2 MAN 101 H2 MAN 101 8.091 -3.243 11.317
238 H3 MAN 101 H3 MAN 101 8.848 -1.380 9.942
239 H4 MAN 101 H4 MAN 101 11.601 -1.976 11.161
240 H5 MAN 101 H5 MAN 101 10.583 -2.243 8.294
241 H61 MAN 101 H61 MAN 101 13.279 -2.814 9.576
242 H62 MAN 101 H62 MAN 101 12.938 -1.592 8.331
243 HO2 MAN 101 HO2 MAN 101 9.740 -2.934 12.836
244 HO3 MAN 101 HO3 MAN 101 9.479 -0.051 11.738
245 HO4 MAN 101 HO4 MAN 101 11.170 0.240 10.749
246 HO6 MAN 101 HO6 MAN 101 11.972 -3.896 7.426
Start of MODEL 4
1 H1 THR 1 H1 THR 1 -6.776 -7.760 5.017
2 H2 THR 1 H2 THR 1 -5.302 -7.814 5.828
3 H3 THR 1 H3 THR 1 -5.724 -9.071 4.765
4 HA THR 1 HA THR 1 -4.187 -7.628 3.696
5 HB THR 1 HB THR 1 -5.776 -6.727 1.893
6 HG1 THR 1 HG1 THR 1 -7.936 -7.850 2.267
7 HG21 THR 1 HG21 THR 1 -6.010 -9.642 2.686
8 HG22 THR 1 HG22 THR 1 -4.694 -8.941 1.744
9 HG23 THR 1 HG23 THR 1 -6.326 -8.979 1.080
10 H GLN 2 H GLN 2 -3.862 -5.385 2.821
11 HA GLN 2 HA GLN 2 -4.415 -3.545 4.979
12 HB2 GLN 2 HB2 GLN 2 -2.153 -4.046 3.755
13 HB3 GLN 2 HB3 GLN 2 -2.725 -2.911 2.561
14 HG2 GLN 2 HG2 GLN 2 -2.479 -2.262 5.499
15 HG3 GLN 2 HG3 GLN 2 -1.175 -1.996 4.352
16 HE21 GLN 2 HE21 GLN 2 -2.878 -1.120 2.218
17 HE22 GLN 2 HE22 GLN 2 -3.504 0.402 2.675
18 H SER 3 H SER 3 -5.365 -1.492 4.712
19 HA SER 3 HA SER 3 -7.775 -1.559 3.245
20 HB2 SER 3 HB2 SER 3 -6.584 0.681 4.838
21 HB3 SER 3 HB3 SER 3 -8.295 0.351 4.533
22 HG SER 3 HG SER 3 -8.272 -0.878 6.182
23 H HIS 4 H HIS 4 -8.632 0.197 1.972
24 HA HIS 4 HA HIS 4 -7.033 1.028 -0.237
25 HB2 HIS 4 HB2 HIS 4 -9.501 0.520 -0.301
26 HB3 HIS 4 HB3 HIS 4 -9.779 1.950 0.663
27 HD1 HIS 4 HD1 HIS 4 -11.273 2.972 -1.091
28 HD2 HIS 4 HD2 HIS 4 -7.465 2.175 -2.521
29 HE1 HIS 4 HE1 HIS 4 -11.169 4.061 -3.347
30 HE2 HIS 4 HE2 HIS 4 -9.006 3.259 -4.312
31 H TYR 5 H TYR 5 -5.936 2.910 -0.529
32 HA TYR 5 HA TYR 5 -4.960 4.845 -0.185
33 HB2 TYR 5 HB2 TYR 5 -7.434 5.503 1.421
34 HB3 TYR 5 HB3 TYR 5 -6.095 6.636 1.276
35 HD1 TYR 5 HD1 TYR 5 -5.357 7.270 -1.090
36 HD2 TYR 5 HD2 TYR 5 -9.099 5.452 -0.234
37 HE1 TYR 5 HE1 TYR 5 -6.219 8.058 -3.246
38 HE2 TYR 5 HE2 TYR 5 -9.970 6.238 -2.399
39 HH TYR 5 HH TYR 5 -9.494 7.994 -4.077
40 H GLY 6 H GLY 6 -4.712 2.532 1.689
41 HA2 GLY 6 HA2 GLY 6 -3.204 3.980 3.747
42 HA3 GLY 6 HA3 GLY 6 -3.760 2.310 3.891
43 H GLN 7 H GLN 7 -1.139 2.897 4.317
44 HA GLN 7 HA GLN 7 0.387 2.451 1.907
45 HB2 GLN 7 HB2 GLN 7 1.275 3.930 3.647
46 HB3 GLN 7 HB3 GLN 7 1.249 2.614 4.805
47 HG2 GLN 7 HG2 GLN 7 2.962 1.435 3.518
48 HG3 GLN 7 HG3 GLN 7 2.971 2.736 2.326
49 HE21 GLN 7 HE21 GLN 7 5.224 3.191 2.731
50 HE22 GLN 7 HE22 GLN 7 5.697 3.948 4.184
51 H CYS 8 H CYS 8 0.410 0.517 1.068
52 HA CYS 8 HA CYS 8 -0.154 -1.873 2.532
53 HB2 CYS 8 HB2 CYS 8 0.502 -2.925 0.269
54 HB3 CYS 8 HB3 CYS 8 -0.933 -1.902 0.342
55 H GLY 9 H GLY 9 2.790 -0.513 1.120
56 HA2 GLY 9 HA2 GLY 9 4.514 -1.216 3.023
57 HA3 GLY 9 HA3 GLY 9 4.297 -2.745 2.193
58 H GLY 10 H GLY 10 5.690 0.326 2.193
59 HA2 GLY 10 HA2 GLY 10 7.129 -0.311 -0.287
60 HA3 GLY 10 HA3 GLY 10 6.924 1.322 0.358
61 H ILE 11 H ILE 11 9.231 1.557 0.444
62 HA ILE 11 HA ILE 11 10.735 -0.136 2.169
63 HB ILE 11 HB ILE 11 11.366 2.743 1.385
64 HG12 ILE 11 HG12 ILE 11 12.259 0.173 0.037
65 HG13 ILE 11 HG13 ILE 11 11.032 1.264 -0.595
66 HG21 ILE 11 HG21 ILE 11 13.692 2.103 1.860
67 HG22 ILE 11 HG22 ILE 11 13.147 0.503 2.365
68 HG23 ILE 11 HG23 ILE 11 12.669 1.930 3.288
69 HD11 ILE 11 HD11 ILE 11 12.721 3.032 -0.782
70 HD12 ILE 11 HD12 ILE 11 13.133 1.598 -1.717
71 HD13 ILE 11 HD13 ILE 11 13.943 1.907 -0.180
72 H GLY 12 H GLY 12 10.763 -0.123 4.337
73 HA2 GLY 12 HA2 GLY 12 10.828 1.026 6.437
74 HA3 GLY 12 HA3 GLY 12 9.802 2.271 5.745
75 H TYR 13 H TYR 13 8.167 -0.039 4.525
76 HA TYR 13 HA TYR 13 6.738 -0.730 6.995
77 HB2 TYR 13 HB2 TYR 13 5.580 1.146 5.835
78 HB3 TYR 13 HB3 TYR 13 5.450 0.156 4.392
79 HD1 TYR 13 HD1 TYR 13 3.756 1.228 7.303
80 HD2 TYR 13 HD2 TYR 13 4.160 -2.170 4.771
81 HE1 TYR 13 HE1 TYR 13 1.585 0.369 8.088
82 HE2 TYR 13 HE2 TYR 13 2.027 -3.025 5.519
83 HH TYR 13 HH TYR 13 -0.207 -1.176 7.151
84 H SER 14 H SER 14 6.649 -2.833 7.177
85 HA SER 14 HA SER 14 5.967 -4.425 4.858
86 HB2 SER 14 HB2 SER 14 8.250 -4.986 6.754
87 HB3 SER 14 HB3 SER 14 7.611 -6.156 5.594
88 H GLY 15 H GLY 15 4.105 -5.277 5.377
89 HA2 GLY 15 HA2 GLY 15 3.742 -6.826 7.742
90 HA3 GLY 15 HA3 GLY 15 2.811 -5.322 7.743
91 HA PRO 16 HA PRO 16 0.105 -7.777 5.141
92 HB2 PRO 16 HB2 PRO 16 -1.846 -5.665 5.206
93 HB3 PRO 16 HB3 PRO 16 -1.916 -7.211 6.049
94 HG2 PRO 16 HG2 PRO 16 -1.619 -4.729 7.267
95 HG3 PRO 16 HG3 PRO 16 -1.253 -6.289 8.014
96 HD2 PRO 16 HD2 PRO 16 0.592 -4.268 6.845
97 HD3 PRO 16 HD3 PRO 16 0.850 -5.416 8.176
98 H THR 17 H THR 17 1.450 -7.456 3.351
99 HA THR 17 HA THR 17 1.515 -4.902 2.100
100 HB THR 17 HB THR 17 3.050 -6.217 0.482
101 HG1 THR 17 HG1 THR 17 3.101 -8.283 0.888
102 HG21 THR 17 HG21 THR 17 3.830 -4.650 2.183
103 HG22 THR 17 HG22 THR 17 4.910 -6.049 2.130
104 HG23 THR 17 HG23 THR 17 3.707 -5.888 3.416
105 H VAL 18 H VAL 18 -0.256 -7.771 1.758
106 HA VAL 18 HA VAL 18 -1.134 -7.114 -0.920
107 HB VAL 18 HB VAL 18 -2.218 -9.210 1.004
108 HG11 VAL 18 HG11 VAL 18 -2.728 -8.841 -1.952
109 HG12 VAL 18 HG12 VAL 18 -3.884 -8.518 -0.666
110 HG13 VAL 18 HG13 VAL 18 -3.335 -10.168 -0.959
111 HG21 VAL 18 HG21 VAL 18 0.100 -9.638 0.322
112 HG22 VAL 18 HG22 VAL 18 -0.383 -9.525 -1.374
113 HG23 VAL 18 HG23 VAL 18 -1.011 -10.824 -0.360
114 H CYS 19 H CYS 19 -2.798 -5.873 -1.369
115 HA CYS 19 HA CYS 19 -4.156 -4.498 0.743
116 HB2 CYS 19 HB2 CYS 19 -4.413 -4.253 -2.254
117 HB3 CYS 19 HB3 CYS 19 -5.076 -3.151 -1.052
118 H ALA 20 H ALA 20 -6.497 -4.227 0.654
119 HA ALA 20 HA ALA 20 -7.833 -6.699 0.632
120 HB1 ALA 20 HB1 ALA 20 -8.543 -4.892 2.084
121 HB2 ALA 20 HB2 ALA 20 -9.876 -5.351 1.020
122 HB3 ALA 20 HB3 ALA 20 -8.932 -3.899 0.689
123 H SER 21 H SER 21 -9.589 -7.364 -0.670
124 HA SER 21 HA SER 21 -8.991 -7.546 -3.325
125 HB2 SER 21 HB2 SER 21 -11.665 -7.903 -1.988
126 HB3 SER 21 HB3 SER 21 -11.112 -8.685 -3.473
127 HG SER 21 HG SER 21 -9.261 -9.332 -1.962
128 H GLY 22 H GLY 22 -9.233 -6.226 -4.971
129 HA2 GLY 22 HA2 GLY 22 -10.659 -4.847 -6.306
130 HA3 GLY 22 HA3 GLY 22 -11.281 -4.138 -4.821
131 H THR 23 H THR 23 -8.363 -4.216 -3.838
132 HA THR 23 HA THR 23 -7.574 -1.815 -5.302
133 HB THR 23 HB THR 23 -6.564 -0.963 -3.132
134 HG1 THR 23 HG1 THR 23 -7.531 -3.391 -2.249
135 HG21 THR 23 HG21 THR 23 -8.719 -0.196 -2.254
136 HG22 THR 23 HG22 THR 23 -9.542 -1.425 -3.225
137 HG23 THR 23 HG23 THR 23 -8.666 -0.118 -4.012
138 H THR 24 H THR 24 -5.372 -1.380 -5.559
139 HA THR 24 HA THR 24 -3.703 -3.779 -5.360
140 HB THR 24 HB THR 24 -2.486 -2.773 -7.358
141 HG1 THR 24 HG1 THR 24 -4.567 -0.925 -7.089
142 HG21 THR 24 HG21 THR 24 -4.091 -3.681 -8.978
143 HG22 THR 24 HG22 THR 24 -5.345 -3.647 -7.736
144 HG23 THR 24 HG23 THR 24 -3.958 -4.719 -7.556
145 H CYS 25 H CYS 25 -1.564 -3.500 -4.790
146 HA CYS 25 HA CYS 25 -1.010 -1.157 -3.215
147 HB2 CYS 25 HB2 CYS 25 -0.357 -3.397 -2.394
148 HB3 CYS 25 HB3 CYS 25 0.670 -3.616 -3.804
149 H GLN 26 H GLN 26 -0.623 0.577 -4.467
150 HA GLN 26 HA GLN 26 1.191 0.232 -6.729
151 HB2 GLN 26 HB2 GLN 26 -0.732 2.478 -6.106
152 HB3 GLN 26 HB3 GLN 26 0.335 2.420 -7.503
153 HG2 GLN 26 HG2 GLN 26 -0.797 0.374 -8.260
154 HG3 GLN 26 HG3 GLN 26 -1.878 0.479 -6.879
155 HE21 GLN 26 HE21 GLN 26 -3.664 0.631 -8.145
156 HE22 GLN 26 HE22 GLN 26 -4.083 2.036 -9.056
157 H VAL 27 H VAL 27 3.130 1.019 -6.670
158 HA VAL 27 HA VAL 27 4.055 2.350 -4.300
159 HB VAL 27 HB VAL 27 5.567 1.677 -6.847
160 HG11 VAL 27 HG11 VAL 27 6.675 3.405 -5.531
161 HG12 VAL 27 HG12 VAL 27 7.585 1.897 -5.465
162 HG13 VAL 27 HG13 VAL 27 6.588 2.386 -4.098
163 HG21 VAL 27 HG21 VAL 27 5.383 0.130 -4.261
164 HG22 VAL 27 HG22 VAL 27 6.416 -0.280 -5.629
165 HG23 VAL 27 HG23 VAL 27 4.662 -0.337 -5.798
166 H LEU 28 H LEU 28 3.581 4.404 -4.123
167 HA LEU 28 HA LEU 28 3.294 6.111 -6.464
168 HB2 LEU 28 HB2 LEU 28 3.016 6.825 -3.541
169 HB3 LEU 28 HB3 LEU 28 2.472 7.768 -4.909
170 HG LEU 28 HG LEU 28 1.326 5.152 -3.944
171 HD11 LEU 28 HD11 LEU 28 0.221 7.944 -3.978
172 HD12 LEU 28 HD12 LEU 28 0.692 7.010 -2.557
173 HD13 LEU 28 HD13 LEU 28 -0.685 6.502 -3.533
174 HD21 LEU 28 HD21 LEU 28 0.538 6.838 -6.315
175 HD22 LEU 28 HD22 LEU 28 -0.381 5.472 -5.681
176 HD23 LEU 28 HD23 LEU 28 1.226 5.211 -6.359
177 H ASN 29 H ASN 29 5.092 5.979 -3.457
178 HA ASN 29 HA ASN 29 7.183 7.658 -4.641
179 HB2 ASN 29 HB2 ASN 29 6.265 7.569 -1.737
180 HB3 ASN 29 HB3 ASN 29 7.608 8.508 -2.364
181 HD21 ASN 29 HD21 ASN 29 5.160 9.343 -0.954
182 HD22 ASN 29 HD22 ASN 29 4.399 10.487 -1.987
183 HA PRO 30 HA PRO 30 10.004 4.360 -3.839
184 HB2 PRO 30 HB2 PRO 30 11.449 6.101 -1.879
185 HB3 PRO 30 HB3 PRO 30 12.101 5.144 -3.220
186 HG2 PRO 30 HG2 PRO 30 11.846 7.741 -3.545
187 HG3 PRO 30 HG3 PRO 30 11.312 6.649 -4.836
188 HD2 PRO 30 HD2 PRO 30 9.677 8.099 -2.796
189 HD3 PRO 30 HD3 PRO 30 9.359 7.893 -4.529
190 H TYR 31 H TYR 31 9.144 6.033 -0.773
191 HA TYR 31 HA TYR 31 9.327 3.440 0.585
192 HB2 TYR 31 HB2 TYR 31 8.816 6.192 1.769
193 HB3 TYR 31 HB3 TYR 31 9.098 4.712 2.651
194 HD1 TYR 31 HD1 TYR 31 10.736 7.102 0.322
195 HD2 TYR 31 HD2 TYR 31 11.275 4.101 3.278
196 HE1 TYR 31 HE1 TYR 31 13.116 7.641 0.422
197 HE2 TYR 31 HE2 TYR 31 13.675 4.633 3.378
198 HH TYR 31 HH TYR 31 15.380 5.646 1.888
199 H TYR 32 H TYR 32 7.052 5.803 -0.571
200 HA TYR 32 HA TYR 32 4.962 4.580 1.021
201 HB2 TYR 32 HB2 TYR 32 5.177 7.083 0.858
202 HB3 TYR 32 HB3 TYR 32 4.564 6.934 -0.790
203 HD1 TYR 32 HD1 TYR 32 2.223 6.853 -1.164
204 HD2 TYR 32 HD2 TYR 32 3.775 6.096 2.720
205 HE1 TYR 32 HE1 TYR 32 -0.056 6.796 -0.254
206 HE2 TYR 32 HE2 TYR 32 1.508 6.031 3.629
207 HH TYR 32 HH TYR 32 -0.721 6.838 3.098
208 H SER 33 H SER 33 3.955 2.907 0.281
209 HA SER 33 HA SER 33 3.089 2.908 -2.512
210 HB2 SER 33 HB2 SER 33 3.586 0.512 -0.707
211 HB3 SER 33 HB3 SER 33 3.164 0.471 -2.423
212 HG SER 33 HG SER 33 5.285 1.962 -2.315
213 H GLN 34 H GLN 34 0.865 2.691 -2.746
214 HA GLN 34 HA GLN 34 -0.657 2.516 -0.239
215 HB2 GLN 34 HB2 GLN 34 -0.331 4.857 -0.848
216 HB3 GLN 34 HB3 GLN 34 -0.999 4.548 -2.442
217 HG2 GLN 34 HG2 GLN 34 -3.153 4.076 -1.486
218 HG3 GLN 34 HG3 GLN 34 -2.506 4.251 0.143
219 HE21 GLN 34 HE21 GLN 34 -2.017 6.326 0.913
220 HE22 GLN 34 HE22 GLN 34 -2.621 7.728 0.137
221 H CYS 35 H CYS 35 -2.644 1.519 -0.399
222 HA CYS 35 HA CYS 35 -3.089 -0.067 -2.723
223 HB2 CYS 35 HB2 CYS 35 -4.866 0.266 -0.314
224 HB3 CYS 35 HB3 CYS 35 -4.921 -0.987 -1.524
225 H LEU 36 H LEU 36 -3.902 0.765 -4.418
226 HA LEU 36 HA LEU 36 -6.173 2.590 -4.247
227 HB2 LEU 36 HB2 LEU 36 -4.039 2.387 -6.380
228 HB3 LEU 36 HB3 LEU 36 -5.445 3.428 -6.453
229 HG LEU 36 HG LEU 36 -3.211 3.670 -4.436
230 HD11 LEU 36 HD11 LEU 36 -2.476 4.270 -6.672
231 HD12 LEU 36 HD12 LEU 36 -2.637 5.712 -5.665
232 HD13 LEU 36 HD13 LEU 36 -3.874 5.326 -6.859
233 HD21 LEU 36 HD21 LEU 36 -5.343 4.439 -3.544
234 HD22 LEU 36 HD22 LEU 36 -5.607 5.421 -4.981
235 HD23 LEU 36 HD23 LEU 36 -4.286 5.809 -3.877
236 H1 MAN 101 H1 MAN 101 9.836 -6.167 4.762
237 H2 MAN 101 H2 MAN 101 10.250 -4.629 6.806
238 H3 MAN 101 H3 MAN 101 10.015 -2.467 5.615
239 H4 MAN 101 H4 MAN 101 12.555 -3.397 4.291
240 H5 MAN 101 H5 MAN 101 9.761 -2.847 3.142
241 H61 MAN 101 H61 MAN 101 11.637 -2.318 1.579
242 H62 MAN 101 H62 MAN 101 10.637 -3.677 1.021
243 HO2 MAN 101 HO2 MAN 101 12.514 -4.718 6.547
244 HO3 MAN 101 HO3 MAN 101 12.049 -1.571 6.328
245 HO4 MAN 101 HO4 MAN 101 12.480 -1.442 3.251
246 HO6 MAN 101 HO6 MAN 101 12.245 -4.996 2.278
Start of MODEL 5
1 H1 THR 1 H1 THR 1 -5.207 -8.832 5.814
2 H2 THR 1 H2 THR 1 -5.992 -7.467 6.455
3 H3 THR 1 H3 THR 1 -4.309 -7.516 6.389
4 HA THR 1 HA THR 1 -4.409 -7.551 3.999
5 HB THR 1 HB THR 1 -7.404 -7.369 4.389
6 HG1 THR 1 HG1 THR 1 -6.970 -9.697 3.448
7 HG21 THR 1 HG21 THR 1 -6.502 -6.527 2.239
8 HG22 THR 1 HG22 THR 1 -7.449 -8.000 2.013
9 HG23 THR 1 HG23 THR 1 -5.687 -8.070 1.991
10 H GLN 2 H GLN 2 -4.165 -5.488 3.041
11 HA GLN 2 HA GLN 2 -4.754 -3.288 4.850
12 HB2 GLN 2 HB2 GLN 2 -2.484 -3.994 3.486
13 HB3 GLN 2 HB3 GLN 2 -3.152 -2.771 2.420
14 HG2 GLN 2 HG2 GLN 2 -2.620 -2.361 5.373
15 HG3 GLN 2 HG3 GLN 2 -1.505 -1.916 4.089
16 HE21 GLN 2 HE21 GLN 2 -3.439 -0.952 2.292
17 HE22 GLN 2 HE22 GLN 2 -4.107 0.490 2.937
18 H SER 3 H SER 3 -6.012 -1.547 4.268
19 HA SER 3 HA SER 3 -7.873 -2.122 2.128
20 HB2 SER 3 HB2 SER 3 -9.203 -0.321 3.389
21 HB3 SER 3 HB3 SER 3 -8.964 -1.887 4.170
22 HG SER 3 HG SER 3 -8.180 0.554 4.956
23 H HIS 4 H HIS 4 -8.955 0.001 1.290
24 HA HIS 4 HA HIS 4 -7.191 1.238 -0.501
25 HB2 HIS 4 HB2 HIS 4 -9.657 0.922 -0.817
26 HB3 HIS 4 HB3 HIS 4 -9.933 2.135 0.410
27 HD1 HIS 4 HD1 HIS 4 -10.876 4.067 -0.769
28 HD2 HIS 4 HD2 HIS 4 -7.726 2.386 -2.887
29 HE1 HIS 4 HE1 HIS 4 -10.596 5.506 -2.770
30 HE2 HIS 4 HE2 HIS 4 -8.878 4.314 -4.173
31 H TYR 5 H TYR 5 -5.904 2.979 -0.317
32 HA TYR 5 HA TYR 5 -4.867 4.767 0.434
33 HB2 TYR 5 HB2 TYR 5 -7.574 5.405 1.443
34 HB3 TYR 5 HB3 TYR 5 -6.238 6.327 2.126
35 HD1 TYR 5 HD1 TYR 5 -5.443 8.164 1.020
36 HD2 TYR 5 HD2 TYR 5 -7.667 5.287 -1.162
37 HE1 TYR 5 HE1 TYR 5 -5.352 9.614 -0.959
38 HE2 TYR 5 HE2 TYR 5 -7.585 6.725 -3.152
39 HH TYR 5 HH TYR 5 -5.445 9.256 -3.377
40 H GLY 6 H GLY 6 -3.726 2.920 1.427
41 HA2 GLY 6 HA2 GLY 6 -2.837 3.881 3.979
42 HA3 GLY 6 HA3 GLY 6 -3.487 2.236 3.984
43 H GLN 7 H GLN 7 -0.719 2.979 4.451
44 HA GLN 7 HA GLN 7 0.727 2.404 2.065
45 HB2 GLN 7 HB2 GLN 7 1.711 3.741 3.927
46 HB3 GLN 7 HB3 GLN 7 1.705 2.306 4.937
47 HG2 GLN 7 HG2 GLN 7 3.286 1.222 3.424
48 HG3 GLN 7 HG3 GLN 7 3.285 2.636 2.377
49 HE21 GLN 7 HE21 GLN 7 5.582 2.994 2.672
50 HE22 GLN 7 HE22 GLN 7 6.192 3.504 4.182
51 H CYS 8 H CYS 8 0.805 0.553 1.157
52 HA CYS 8 HA CYS 8 0.112 -1.891 2.586
53 HB2 CYS 8 HB2 CYS 8 0.207 -2.856 0.262
54 HB3 CYS 8 HB3 CYS 8 -1.016 -1.624 0.540
55 H GLY 9 H GLY 9 2.907 -0.541 0.935
56 HA2 GLY 9 HA2 GLY 9 4.723 -2.115 2.340
57 HA3 GLY 9 HA3 GLY 9 4.320 -2.985 0.866
58 H GLY 10 H GLY 10 5.759 -0.177 2.211
59 HA2 GLY 10 HA2 GLY 10 7.066 0.318 -0.367
60 HA3 GLY 10 HA3 GLY 10 6.842 1.543 0.889
61 H ILE 11 H ILE 11 9.338 1.393 0.212
62 HA ILE 11 HA ILE 11 10.853 -0.664 1.410
63 HB ILE 11 HB ILE 11 11.734 2.204 0.923
64 HG12 ILE 11 HG12 ILE 11 12.007 -0.183 -0.925
65 HG13 ILE 11 HG13 ILE 11 10.843 1.123 -1.138
66 HG21 ILE 11 HG21 ILE 11 14.003 1.236 0.821
67 HG22 ILE 11 HG22 ILE 11 13.334 -0.340 1.242
68 HG23 ILE 11 HG23 ILE 11 13.238 0.989 2.392
69 HD11 ILE 11 HD11 ILE 11 12.711 2.713 -1.373
70 HD12 ILE 11 HD12 ILE 11 12.742 1.450 -2.597
71 HD13 ILE 11 HD13 ILE 11 13.847 1.372 -1.223
72 H GLY 12 H GLY 12 10.910 -1.092 3.498
73 HA2 GLY 12 HA2 GLY 12 11.724 -0.478 5.663
74 HA3 GLY 12 HA3 GLY 12 11.144 1.156 5.373
75 H TYR 13 H TYR 13 8.694 -0.507 4.201
76 HA TYR 13 HA TYR 13 7.219 -0.287 6.688
77 HB2 TYR 13 HB2 TYR 13 6.204 0.598 4.622
78 HB3 TYR 13 HB3 TYR 13 6.256 -1.001 3.900
79 HD1 TYR 13 HD1 TYR 13 4.705 1.026 6.577
80 HD2 TYR 13 HD2 TYR 13 4.510 -2.594 4.357
81 HE1 TYR 13 HE1 TYR 13 2.470 0.591 7.490
82 HE2 TYR 13 HE2 TYR 13 2.273 -3.033 5.258
83 HH TYR 13 HH TYR 13 0.430 -0.732 6.660
84 H SER 14 H SER 14 6.182 -1.970 7.709
85 HA SER 14 HA SER 14 6.831 -4.667 6.820
86 HB2 SER 14 HB2 SER 14 7.245 -3.657 9.641
87 HB3 SER 14 HB3 SER 14 7.786 -5.199 8.952
88 H GLY 15 H GLY 15 4.677 -5.210 6.399
89 HA2 GLY 15 HA2 GLY 15 2.977 -5.747 8.579
90 HA3 GLY 15 HA3 GLY 15 2.493 -4.240 7.814
91 HA PRO 16 HA PRO 16 0.311 -7.405 5.405
92 HB2 PRO 16 HB2 PRO 16 -1.895 -5.647 5.064
93 HB3 PRO 16 HB3 PRO 16 -1.784 -7.016 6.171
94 HG2 PRO 16 HG2 PRO 16 -1.920 -4.330 6.921
95 HG3 PRO 16 HG3 PRO 16 -1.419 -5.685 7.944
96 HD2 PRO 16 HD2 PRO 16 0.244 -3.680 6.509
97 HD3 PRO 16 HD3 PRO 16 0.517 -4.491 8.069
98 H THR 17 H THR 17 1.311 -7.410 3.447
99 HA THR 17 HA THR 17 1.440 -4.992 1.904
100 HB THR 17 HB THR 17 2.872 -6.407 0.423
101 HG1 THR 17 HG1 THR 17 3.346 -8.377 2.153
102 HG21 THR 17 HG21 THR 17 3.574 -6.374 3.358
103 HG22 THR 17 HG22 THR 17 3.805 -5.038 2.235
104 HG23 THR 17 HG23 THR 17 4.727 -6.533 2.032
105 H VAL 18 H VAL 18 -0.659 -7.553 2.198
106 HA VAL 18 HA VAL 18 -1.509 -7.588 -0.580
107 HB VAL 18 HB VAL 18 -2.695 -8.983 1.842
108 HG11 VAL 18 HG11 VAL 18 -3.908 -10.371 0.229
109 HG12 VAL 18 HG12 VAL 18 -3.238 -9.422 -1.097
110 HG13 VAL 18 HG13 VAL 18 -4.343 -8.671 0.053
111 HG21 VAL 18 HG21 VAL 18 -0.431 -9.712 1.294
112 HG22 VAL 18 HG22 VAL 18 -0.965 -10.104 -0.348
113 HG23 VAL 18 HG23 VAL 18 -1.621 -10.979 1.036
114 H CYS 19 H CYS 19 -2.903 -6.173 -1.287
115 HA CYS 19 HA CYS 19 -4.435 -4.606 0.604
116 HB2 CYS 19 HB2 CYS 19 -4.234 -4.362 -2.413
117 HB3 CYS 19 HB3 CYS 19 -5.050 -3.233 -1.327
118 H ALA 20 H ALA 20 -6.677 -4.386 0.397
119 HA ALA 20 HA ALA 20 -8.147 -6.734 0.230
120 HB1 ALA 20 HB1 ALA 20 -10.118 -5.295 0.299
121 HB2 ALA 20 HB2 ALA 20 -9.115 -3.900 -0.100
122 HB3 ALA 20 HB3 ALA 20 -8.889 -4.738 1.435
123 H SER 21 H SER 21 -9.595 -7.523 -1.314
124 HA SER 21 HA SER 21 -8.689 -7.493 -3.934
125 HB2 SER 21 HB2 SER 21 -11.383 -8.314 -2.846
126 HB3 SER 21 HB3 SER 21 -10.740 -8.767 -4.427
127 HG SER 21 HG SER 21 -10.313 -9.923 -2.069
128 H GLY 22 H GLY 22 -8.900 -6.057 -5.476
129 HA2 GLY 22 HA2 GLY 22 -10.314 -4.643 -6.818
130 HA3 GLY 22 HA3 GLY 22 -11.145 -4.176 -5.339
131 H THR 23 H THR 23 -8.304 -4.166 -4.094
132 HA THR 23 HA THR 23 -7.531 -1.565 -5.191
133 HB THR 23 HB THR 23 -6.595 -0.989 -2.947
134 HG1 THR 23 HG1 THR 23 -7.438 -3.578 -2.362
135 HG21 THR 23 HG21 THR 23 -9.518 -1.707 -2.904
136 HG22 THR 23 HG22 THR 23 -8.814 -0.204 -3.508
137 HG23 THR 23 HG23 THR 23 -8.711 -0.605 -1.793
138 H THR 24 H THR 24 -5.390 -1.214 -5.580
139 HA THR 24 HA THR 24 -3.726 -3.629 -5.491
140 HB THR 24 HB THR 24 -2.558 -2.545 -7.483
141 HG1 THR 24 HG1 THR 24 -4.695 -0.746 -7.116
142 HG21 THR 24 HG21 THR 24 -5.423 -3.466 -7.789
143 HG22 THR 24 HG22 THR 24 -4.006 -4.510 -7.692
144 HG23 THR 24 HG23 THR 24 -4.217 -3.437 -9.075
145 H CYS 25 H CYS 25 -1.597 -3.452 -4.832
146 HA CYS 25 HA CYS 25 -1.012 -1.126 -3.242
147 HB2 CYS 25 HB2 CYS 25 -0.441 -3.404 -2.423
148 HB3 CYS 25 HB3 CYS 25 0.642 -3.624 -3.793
149 H GLN 26 H GLN 26 -0.603 0.578 -4.521
150 HA GLN 26 HA GLN 26 1.299 0.199 -6.706
151 HB2 GLN 26 HB2 GLN 26 -0.618 2.475 -6.187
152 HB3 GLN 26 HB3 GLN 26 0.483 2.365 -7.551
153 HG2 GLN 26 HG2 GLN 26 -0.686 0.306 -8.282
154 HG3 GLN 26 HG3 GLN 26 -1.821 0.520 -6.953
155 HE21 GLN 26 HE21 GLN 26 -3.540 0.687 -8.350
156 HE22 GLN 26 HE22 GLN 26 -3.836 2.091 -9.302
157 H VAL 27 H VAL 27 3.194 1.235 -6.718
158 HA VAL 27 HA VAL 27 4.029 2.382 -4.225
159 HB VAL 27 HB VAL 27 5.604 1.995 -6.801
160 HG11 VAL 27 HG11 VAL 27 6.537 2.436 -3.970
161 HG12 VAL 27 HG12 VAL 27 6.638 3.598 -5.293
162 HG13 VAL 27 HG13 VAL 27 7.577 2.104 -5.352
163 HG21 VAL 27 HG21 VAL 27 5.413 0.183 -4.395
164 HG22 VAL 27 HG22 VAL 27 6.495 -0.043 -5.769
165 HG23 VAL 27 HG23 VAL 27 4.747 -0.142 -5.994
166 H LEU 28 H LEU 28 3.260 4.335 -3.948
167 HA LEU 28 HA LEU 28 2.731 6.166 -6.119
168 HB2 LEU 28 HB2 LEU 28 1.485 5.773 -3.782
169 HB3 LEU 28 HB3 LEU 28 2.674 6.909 -3.219
170 HG LEU 28 HG LEU 28 0.630 7.502 -5.364
171 HD11 LEU 28 HD11 LEU 28 0.715 8.317 -2.472
172 HD12 LEU 28 HD12 LEU 28 -0.425 7.198 -3.220
173 HD13 LEU 28 HD13 LEU 28 -0.437 8.901 -3.670
174 HD21 LEU 28 HD21 LEU 28 2.540 9.346 -3.924
175 HD22 LEU 28 HD22 LEU 28 1.299 9.834 -5.082
176 HD23 LEU 28 HD23 LEU 28 2.664 8.851 -5.612
177 H ASN 29 H ASN 29 4.890 5.907 -3.375
178 HA ASN 29 HA ASN 29 6.716 7.849 -4.578
179 HB2 ASN 29 HB2 ASN 29 6.035 7.572 -1.621
180 HB3 ASN 29 HB3 ASN 29 7.283 8.606 -2.288
181 HD21 ASN 29 HD21 ASN 29 3.888 8.220 -1.741
182 HD22 ASN 29 HD22 ASN 29 3.454 9.824 -2.199
183 HA PRO 30 HA PRO 30 9.791 4.712 -4.124
184 HB2 PRO 30 HB2 PRO 30 11.278 6.407 -2.171
185 HB3 PRO 30 HB3 PRO 30 11.861 5.589 -3.627
186 HG2 PRO 30 HG2 PRO 30 11.440 8.191 -3.689
187 HG3 PRO 30 HG3 PRO 30 10.932 7.177 -5.052
188 HD2 PRO 30 HD2 PRO 30 9.279 8.375 -2.863
189 HD3 PRO 30 HD3 PRO 30 8.910 8.216 -4.594
190 H TYR 31 H TYR 31 8.867 6.158 -1.006
191 HA TYR 31 HA TYR 31 9.239 3.495 0.175
192 HB2 TYR 31 HB2 TYR 31 9.117 6.177 1.591
193 HB3 TYR 31 HB3 TYR 31 9.331 4.618 2.367
194 HD1 TYR 31 HD1 TYR 31 10.941 7.146 0.209
195 HD2 TYR 31 HD2 TYR 31 11.429 3.531 2.373
196 HE1 TYR 31 HE1 TYR 31 13.386 7.324 -0.055
197 HE2 TYR 31 HE2 TYR 31 13.857 3.690 2.114
198 HH TYR 31 HH TYR 31 15.429 4.744 0.504
199 H TYR 32 H TYR 32 6.893 5.960 -0.523
200 HA TYR 32 HA TYR 32 4.947 4.593 1.151
201 HB2 TYR 32 HB2 TYR 32 5.001 7.153 1.093
202 HB3 TYR 32 HB3 TYR 32 4.438 6.993 -0.565
203 HD1 TYR 32 HD1 TYR 32 2.184 7.035 -1.018
204 HD2 TYR 32 HD2 TYR 32 3.485 5.860 2.854
205 HE1 TYR 32 HE1 TYR 32 -0.152 6.865 -0.289
206 HE2 TYR 32 HE2 TYR 32 1.145 5.691 3.593
207 HH TYR 32 HH TYR 32 -1.016 6.475 3.008
208 H SER 33 H SER 33 3.955 2.898 0.349
209 HA SER 33 HA SER 33 3.021 3.007 -2.429
210 HB2 SER 33 HB2 SER 33 3.475 0.554 -0.693
211 HB3 SER 33 HB3 SER 33 3.051 0.565 -2.405
212 HG SER 33 HG SER 33 5.349 0.267 -1.730
213 H GLN 34 H GLN 34 0.777 2.634 -2.694
214 HA GLN 34 HA GLN 34 -0.740 2.484 -0.183
215 HB2 GLN 34 HB2 GLN 34 -0.477 4.838 -0.865
216 HB3 GLN 34 HB3 GLN 34 -1.203 4.460 -2.417
217 HG2 GLN 34 HG2 GLN 34 -3.289 3.874 -1.305
218 HG3 GLN 34 HG3 GLN 34 -2.561 4.234 0.258
219 HE21 GLN 34 HE21 GLN 34 -2.185 6.379 0.821
220 HE22 GLN 34 HE22 GLN 34 -2.918 7.682 -0.037
221 H CYS 35 H CYS 35 -2.656 1.346 -0.323
222 HA CYS 35 HA CYS 35 -3.144 -0.154 -2.683
223 HB2 CYS 35 HB2 CYS 35 -4.933 0.111 -0.247
224 HB3 CYS 35 HB3 CYS 35 -4.968 -1.116 -1.484
225 H LEU 36 H LEU 36 -3.859 0.869 -4.354
226 HA LEU 36 HA LEU 36 -6.073 2.764 -4.130
227 HB2 LEU 36 HB2 LEU 36 -3.997 2.346 -6.288
228 HB3 LEU 36 HB3 LEU 36 -5.408 3.363 -6.494
229 HG LEU 36 HG LEU 36 -3.253 3.833 -4.427
230 HD11 LEU 36 HD11 LEU 36 -3.775 5.233 -7.046
231 HD12 LEU 36 HD12 LEU 36 -2.419 4.154 -6.716
232 HD13 LEU 36 HD13 LEU 36 -2.560 5.686 -5.852
233 HD21 LEU 36 HD21 LEU 36 -5.434 4.705 -3.770
234 HD22 LEU 36 HD22 LEU 36 -5.588 5.519 -5.325
235 HD23 LEU 36 HD23 LEU 36 -4.333 6.014 -4.191
236 H1 MAN 101 H1 MAN 101 9.515 -3.165 10.213
237 H2 MAN 101 H2 MAN 101 10.590 -1.612 8.577
238 H3 MAN 101 H3 MAN 101 10.845 -3.148 6.700
239 H4 MAN 101 H4 MAN 101 12.926 -4.552 8.455
240 H5 MAN 101 H5 MAN 101 10.161 -5.510 7.488
241 H61 MAN 101 H61 MAN 101 12.354 -6.708 9.198
242 H62 MAN 101 H62 MAN 101 11.716 -7.366 7.673
243 HO2 MAN 101 HO2 MAN 101 12.301 -3.435 9.972
244 HO3 MAN 101 HO3 MAN 101 13.326 -2.362 7.880
245 HO4 MAN 101 HO4 MAN 101 13.378 -4.479 6.245
246 HO6 MAN 101 HO6 MAN 101 9.742 -6.851 9.516
Start of MODEL 6
1 H1 THR 1 H1 THR 1 -7.505 -7.844 5.139
2 H2 THR 1 H2 THR 1 -5.957 -8.163 5.734
3 H3 THR 1 H3 THR 1 -6.678 -9.237 4.644
4 HA THR 1 HA THR 1 -5.035 -7.907 3.563
5 HB THR 1 HB THR 1 -6.581 -6.856 1.849
6 HG1 THR 1 HG1 THR 1 -8.870 -7.631 2.291
7 HG21 THR 1 HG21 THR 1 -7.500 -9.010 1.092
8 HG22 THR 1 HG22 THR 1 -7.195 -9.703 2.684
9 HG23 THR 1 HG23 THR 1 -5.845 -9.195 1.669
10 H GLN 2 H GLN 2 -4.299 -5.833 2.952
11 HA GLN 2 HA GLN 2 -4.557 -3.867 5.018
12 HB2 GLN 2 HB2 GLN 2 -2.563 -4.605 3.352
13 HB3 GLN 2 HB3 GLN 2 -3.216 -3.264 2.430
14 HG2 GLN 2 HG2 GLN 2 -2.178 -3.119 5.260
15 HG3 GLN 2 HG3 GLN 2 -1.328 -2.587 3.817
16 HE21 GLN 2 HE21 GLN 2 -2.096 -0.839 2.733
17 HE22 GLN 2 HE22 GLN 2 -3.066 0.360 3.498
18 H SER 3 H SER 3 -5.436 -1.762 4.745
19 HA SER 3 HA SER 3 -7.802 -1.845 3.135
20 HB2 SER 3 HB2 SER 3 -6.896 0.103 5.237
21 HB3 SER 3 HB3 SER 3 -8.497 0.068 4.486
22 HG SER 3 HG SER 3 -7.987 -1.146 6.588
23 H HIS 4 H HIS 4 -8.625 -0.004 2.065
24 HA HIS 4 HA HIS 4 -7.017 0.916 -0.062
25 HB2 HIS 4 HB2 HIS 4 -9.498 0.454 -0.054
26 HB3 HIS 4 HB3 HIS 4 -9.711 1.915 0.886
27 HD1 HIS 4 HD1 HIS 4 -11.131 3.091 -0.878
28 HD2 HIS 4 HD2 HIS 4 -7.434 1.864 -2.296
29 HE1 HIS 4 HE1 HIS 4 -10.959 4.009 -3.202
30 HE2 HIS 4 HE2 HIS 4 -8.939 2.870 -4.115
31 H TYR 5 H TYR 5 -5.897 2.765 -0.275
32 HA TYR 5 HA TYR 5 -4.991 4.764 0.050
33 HB2 TYR 5 HB2 TYR 5 -7.191 5.245 2.059
34 HB3 TYR 5 HB3 TYR 5 -5.953 6.442 1.685
35 HD1 TYR 5 HD1 TYR 5 -5.714 6.897 -0.930
36 HD2 TYR 5 HD2 TYR 5 -9.193 5.411 0.993
37 HE1 TYR 5 HE1 TYR 5 -7.082 7.733 -2.785
38 HE2 TYR 5 HE2 TYR 5 -10.572 6.234 -0.856
39 HH TYR 5 HH TYR 5 -10.439 7.941 -2.546
40 H GLY 6 H GLY 6 -4.748 2.305 1.970
41 HA2 GLY 6 HA2 GLY 6 -3.050 3.697 3.889
42 HA3 GLY 6 HA3 GLY 6 -3.573 2.016 4.013
43 H GLN 7 H GLN 7 -0.936 2.806 4.281
44 HA GLN 7 HA GLN 7 0.457 2.359 1.830
45 HB2 GLN 7 HB2 GLN 7 1.488 3.714 3.570
46 HB3 GLN 7 HB3 GLN 7 1.443 2.359 4.688
47 HG2 GLN 7 HG2 GLN 7 2.987 1.139 3.370
48 HG3 GLN 7 HG3 GLN 7 3.015 2.375 2.118
49 HE21 GLN 7 HE21 GLN 7 5.300 2.776 2.340
50 HE22 GLN 7 HE22 GLN 7 5.889 3.569 3.732
51 H CYS 8 H CYS 8 0.779 0.539 0.901
52 HA CYS 8 HA CYS 8 0.006 -1.948 2.149
53 HB2 CYS 8 HB2 CYS 8 0.533 -2.881 -0.137
54 HB3 CYS 8 HB3 CYS 8 -0.754 -1.683 -0.056
55 H GLY 9 H GLY 9 2.967 -0.772 0.569
56 HA2 GLY 9 HA2 GLY 9 4.654 -2.011 2.426
57 HA3 GLY 9 HA3 GLY 9 4.424 -3.087 1.054
58 H GLY 10 H GLY 10 5.577 -0.009 2.084
59 HA2 GLY 10 HA2 GLY 10 7.150 0.169 -0.391
60 HA3 GLY 10 HA3 GLY 10 6.720 1.555 0.622
61 H ILE 11 H ILE 11 9.291 1.476 0.264
62 HA ILE 11 HA ILE 11 10.789 -0.274 1.877
63 HB ILE 11 HB ILE 11 11.518 2.586 1.153
64 HG12 ILE 11 HG12 ILE 11 12.122 0.046 -0.379
65 HG13 ILE 11 HG13 ILE 11 10.908 1.235 -0.839
66 HG21 ILE 11 HG21 ILE 11 13.836 1.794 1.373
67 HG22 ILE 11 HG22 ILE 11 13.244 0.206 1.862
68 HG23 ILE 11 HG23 ILE 11 12.943 1.613 2.882
69 HD11 ILE 11 HD11 ILE 11 12.952 1.488 -2.141
70 HD12 ILE 11 HD12 ILE 11 13.876 1.723 -0.655
71 HD13 ILE 11 HD13 ILE 11 12.660 2.906 -1.134
72 H GLY 12 H GLY 12 10.566 -0.485 3.990
73 HA2 GLY 12 HA2 GLY 12 11.060 0.497 6.157
74 HA3 GLY 12 HA3 GLY 12 10.215 1.938 5.608
75 H TYR 13 H TYR 13 8.202 -0.072 4.332
76 HA TYR 13 HA TYR 13 6.623 -0.215 6.777
77 HB2 TYR 13 HB2 TYR 13 5.535 0.846 4.793
78 HB3 TYR 13 HB3 TYR 13 5.687 -0.680 3.923
79 HD1 TYR 13 HD1 TYR 13 4.214 -2.569 4.447
80 HD2 TYR 13 HD2 TYR 13 3.921 1.068 6.627
81 HE1 TYR 13 HE1 TYR 13 2.109 -3.342 5.434
82 HE2 TYR 13 HE2 TYR 13 1.804 0.302 7.620
83 HH TYR 13 HH TYR 13 -0.013 -1.338 7.091
84 H SER 14 H SER 14 5.905 -2.078 7.647
85 HA SER 14 HA SER 14 6.552 -4.603 6.311
86 HB2 SER 14 HB2 SER 14 6.902 -4.185 9.268
87 HB3 SER 14 HB3 SER 14 7.627 -5.417 8.225
88 H GLY 15 H GLY 15 4.822 -6.040 6.534
89 HA2 GLY 15 HA2 GLY 15 3.165 -6.637 8.446
90 HA3 GLY 15 HA3 GLY 15 2.550 -5.035 8.045
91 HA PRO 16 HA PRO 16 0.199 -7.809 5.344
92 HB2 PRO 16 HB2 PRO 16 -1.800 -5.677 5.297
93 HB3 PRO 16 HB3 PRO 16 -1.959 -7.320 5.913
94 HG2 PRO 16 HG2 PRO 16 -1.918 -5.141 7.530
95 HG3 PRO 16 HG3 PRO 16 -1.314 -6.727 8.036
96 HD2 PRO 16 HD2 PRO 16 0.218 -4.329 7.094
97 HD3 PRO 16 HD3 PRO 16 0.579 -5.461 8.416
98 H THR 17 H THR 17 1.398 -7.641 3.487
99 HA THR 17 HA THR 17 1.411 -5.161 2.039
100 HB THR 17 HB THR 17 2.931 -6.565 0.499
101 HG1 THR 17 HG1 THR 17 2.829 -8.608 1.049
102 HG21 THR 17 HG21 THR 17 4.835 -6.235 2.008
103 HG22 THR 17 HG22 THR 17 3.736 -6.072 3.375
104 HG23 THR 17 HG23 THR 17 3.735 -4.859 2.097
105 H VAL 18 H VAL 18 -0.723 -7.618 2.222
106 HA VAL 18 HA VAL 18 -1.410 -7.530 -0.619
107 HB VAL 18 HB VAL 18 -2.571 -9.337 1.538
108 HG11 VAL 18 HG11 VAL 18 -2.872 -9.429 -1.460
109 HG12 VAL 18 HG12 VAL 18 -4.110 -8.948 -0.300
110 HG13 VAL 18 HG13 VAL 18 -3.522 -10.610 -0.321
111 HG21 VAL 18 HG21 VAL 18 -1.263 -11.138 0.510
112 HG22 VAL 18 HG22 VAL 18 -0.218 -9.864 1.142
113 HG23 VAL 18 HG23 VAL 18 -0.528 -9.972 -0.590
114 H CYS 19 H CYS 19 -2.786 -6.004 -1.106
115 HA CYS 19 HA CYS 19 -4.303 -4.625 0.890
116 HB2 CYS 19 HB2 CYS 19 -4.323 -4.318 -2.118
117 HB3 CYS 19 HB3 CYS 19 -4.994 -3.186 -0.953
118 H ALA 20 H ALA 20 -6.647 -4.164 0.494
119 HA ALA 20 HA ALA 20 -8.190 -6.490 0.540
120 HB1 ALA 20 HB1 ALA 20 -10.116 -4.988 0.522
121 HB2 ALA 20 HB2 ALA 20 -9.084 -3.652 0.019
122 HB3 ALA 20 HB3 ALA 20 -8.863 -4.385 1.607
123 H SER 21 H SER 21 -9.805 -7.209 -0.906
124 HA SER 21 HA SER 21 -8.995 -7.549 -3.511
125 HB2 SER 21 HB2 SER 21 -11.486 -8.313 -3.692
126 HB3 SER 21 HB3 SER 21 -10.369 -9.196 -2.645
127 HG SER 21 HG SER 21 -12.374 -7.329 -1.930
128 H GLY 22 H GLY 22 -8.866 -6.086 -5.023
129 HA2 GLY 22 HA2 GLY 22 -10.082 -4.780 -6.633
130 HA3 GLY 22 HA3 GLY 22 -11.044 -4.147 -5.300
131 H THR 23 H THR 23 -8.170 -4.210 -3.925
132 HA THR 23 HA THR 23 -7.462 -1.582 -5.000
133 HB THR 23 HB THR 23 -6.597 -0.966 -2.759
134 HG1 THR 23 HG1 THR 23 -7.283 -3.632 -2.226
135 HG21 THR 23 HG21 THR 23 -9.429 -2.006 -2.679
136 HG22 THR 23 HG22 THR 23 -8.920 -0.427 -3.283
137 HG23 THR 23 HG23 THR 23 -8.736 -0.821 -1.574
138 H THR 24 H THR 24 -5.336 -1.145 -5.411
139 HA THR 24 HA THR 24 -3.645 -3.546 -5.468
140 HB THR 24 HB THR 24 -2.529 -2.409 -7.433
141 HG1 THR 24 HG1 THR 24 -4.676 -0.635 -6.972
142 HG21 THR 24 HG21 THR 24 -4.267 -3.143 -9.029
143 HG22 THR 24 HG22 THR 24 -5.419 -3.244 -7.694
144 HG23 THR 24 HG23 THR 24 -4.013 -4.309 -7.730
145 H CYS 25 H CYS 25 -1.485 -3.377 -4.971
146 HA CYS 25 HA CYS 25 -0.773 -1.153 -3.290
147 HB2 CYS 25 HB2 CYS 25 -0.084 -3.469 -2.691
148 HB3 CYS 25 HB3 CYS 25 0.867 -3.562 -4.167
149 H GLN 26 H GLN 26 -0.437 0.648 -4.420
150 HA GLN 26 HA GLN 26 1.181 0.447 -6.841
151 HB2 GLN 26 HB2 GLN 26 -0.695 2.609 -5.916
152 HB3 GLN 26 HB3 GLN 26 0.263 2.675 -7.385
153 HG2 GLN 26 HG2 GLN 26 -0.908 0.647 -8.185
154 HG3 GLN 26 HG3 GLN 26 -1.921 0.712 -6.743
155 HE21 GLN 26 HE21 GLN 26 -3.782 0.988 -7.926
156 HE22 GLN 26 HE22 GLN 26 -4.154 2.469 -8.740
157 H VAL 27 H VAL 27 3.081 1.338 -6.939
158 HA VAL 27 HA VAL 27 4.143 2.558 -4.557
159 HB VAL 27 HB VAL 27 5.506 1.955 -7.205
160 HG11 VAL 27 HG11 VAL 27 7.606 2.209 -5.972
161 HG12 VAL 27 HG12 VAL 27 6.701 2.682 -4.534
162 HG13 VAL 27 HG13 VAL 27 6.667 3.702 -5.971
163 HG21 VAL 27 HG21 VAL 27 6.485 0.039 -6.047
164 HG22 VAL 27 HG22 VAL 27 4.723 -0.071 -6.106
165 HG23 VAL 27 HG23 VAL 27 5.530 0.423 -4.616
166 H LEU 28 H LEU 28 3.383 4.564 -4.348
167 HA LEU 28 HA LEU 28 3.241 6.388 -6.577
168 HB2 LEU 28 HB2 LEU 28 2.803 6.722 -3.632
169 HB3 LEU 28 HB3 LEU 28 2.775 8.097 -4.699
170 HG LEU 28 HG LEU 28 0.937 6.737 -5.951
171 HD11 LEU 28 HD11 LEU 28 0.816 5.484 -3.239
172 HD12 LEU 28 HD12 LEU 28 1.200 4.670 -4.756
173 HD13 LEU 28 HD13 LEU 28 -0.416 5.342 -4.496
174 HD21 LEU 28 HD21 LEU 28 0.467 8.052 -3.297
175 HD22 LEU 28 HD22 LEU 28 -0.758 7.763 -4.549
176 HD23 LEU 28 HD23 LEU 28 0.621 8.826 -4.878
177 H ASN 29 H ASN 29 5.015 6.194 -3.582
178 HA ASN 29 HA ASN 29 7.101 7.927 -4.716
179 HB2 ASN 29 HB2 ASN 29 6.345 7.463 -1.811
180 HB3 ASN 29 HB3 ASN 29 7.610 8.512 -2.414
181 HD21 ASN 29 HD21 ASN 29 6.695 10.186 -1.253
182 HD22 ASN 29 HD22 ASN 29 5.286 11.017 -1.773
183 HA PRO 30 HA PRO 30 9.997 4.569 -4.168
184 HB2 PRO 30 HB2 PRO 30 11.530 6.206 -2.203
185 HB3 PRO 30 HB3 PRO 30 12.101 5.373 -3.656
186 HG2 PRO 30 HG2 PRO 30 11.806 8.000 -3.673
187 HG3 PRO 30 HG3 PRO 30 11.310 7.033 -5.074
188 HD2 PRO 30 HD2 PRO 30 9.633 8.268 -2.933
189 HD3 PRO 30 HD3 PRO 30 9.311 8.159 -4.675
190 H TYR 31 H TYR 31 9.148 6.197 -1.090
191 HA TYR 31 HA TYR 31 9.405 3.582 0.228
192 HB2 TYR 31 HB2 TYR 31 9.053 6.308 1.527
193 HB3 TYR 31 HB3 TYR 31 9.424 4.798 2.325
194 HD1 TYR 31 HD1 TYR 31 10.805 7.358 0.019
195 HD2 TYR 31 HD2 TYR 31 11.652 4.042 2.534
196 HE1 TYR 31 HE1 TYR 31 13.190 7.824 -0.194
197 HE2 TYR 31 HE2 TYR 31 14.050 4.496 2.317
198 HH TYR 31 HH TYR 31 15.229 7.399 1.034
199 H TYR 32 H TYR 32 7.136 6.038 -0.738
200 HA TYR 32 HA TYR 32 5.104 4.791 0.905
201 HB2 TYR 32 HB2 TYR 32 5.264 7.320 0.799
202 HB3 TYR 32 HB3 TYR 32 4.653 7.196 -0.848
203 HD1 TYR 32 HD1 TYR 32 3.856 6.019 2.570
204 HD2 TYR 32 HD2 TYR 32 2.351 7.296 -1.203
205 HE1 TYR 32 HE1 TYR 32 1.584 5.876 3.446
206 HE2 TYR 32 HE2 TYR 32 0.055 7.154 -0.318
207 HH TYR 32 HH TYR 32 -0.570 6.746 3.027
208 H SER 33 H SER 33 4.041 3.157 0.189
209 HA SER 33 HA SER 33 3.113 3.165 -2.587
210 HB2 SER 33 HB2 SER 33 3.775 0.738 -0.883
211 HB3 SER 33 HB3 SER 33 3.317 0.742 -2.589
212 HG SER 33 HG SER 33 5.347 2.291 -2.576
213 H GLN 34 H GLN 34 0.884 2.889 -2.740
214 HA GLN 34 HA GLN 34 -0.542 2.578 -0.178
215 HB2 GLN 34 HB2 GLN 34 -0.378 4.942 -0.764
216 HB3 GLN 34 HB3 GLN 34 -1.065 4.616 -2.348
217 HG2 GLN 34 HG2 GLN 34 -3.164 3.998 -1.314
218 HG3 GLN 34 HG3 GLN 34 -2.465 4.248 0.283
219 HE21 GLN 34 HE21 GLN 34 -2.027 6.363 0.970
220 HE22 GLN 34 HE22 GLN 34 -2.783 7.712 0.216
221 H CYS 35 H CYS 35 -2.504 1.483 -0.264
222 HA CYS 35 HA CYS 35 -2.993 -0.130 -2.570
223 HB2 CYS 35 HB2 CYS 35 -4.668 0.190 -0.077
224 HB3 CYS 35 HB3 CYS 35 -4.792 -1.060 -1.285
225 H LEU 36 H LEU 36 -3.793 0.917 -4.234
226 HA LEU 36 HA LEU 36 -6.154 2.606 -3.862
227 HB2 LEU 36 HB2 LEU 36 -4.123 2.548 -6.095
228 HB3 LEU 36 HB3 LEU 36 -5.624 3.442 -6.177
229 HG LEU 36 HG LEU 36 -3.418 3.952 -4.177
230 HD11 LEU 36 HD11 LEU 36 -2.763 4.550 -6.454
231 HD12 LEU 36 HD12 LEU 36 -3.018 5.988 -5.465
232 HD13 LEU 36 HD13 LEU 36 -4.240 5.496 -6.638
233 HD21 LEU 36 HD21 LEU 36 -5.617 4.538 -3.302
234 HD22 LEU 36 HD22 LEU 36 -5.980 5.444 -4.766
235 HD23 LEU 36 HD23 LEU 36 -4.702 5.993 -3.683
236 H1 MAN 101 H1 MAN 101 9.080 -3.836 10.037
237 H2 MAN 101 H2 MAN 101 9.791 -1.660 9.196
238 H3 MAN 101 H3 MAN 101 10.243 -2.329 6.896
239 H4 MAN 101 H4 MAN 101 12.593 -3.789 8.164
240 H5 MAN 101 H5 MAN 101 10.107 -4.740 6.645
241 H61 MAN 101 H61 MAN 101 12.497 -6.242 7.788
242 H62 MAN 101 H62 MAN 101 11.938 -6.168 6.094
243 HO2 MAN 101 HO2 MAN 101 10.995 -2.722 10.836
244 HO3 MAN 101 HO3 MAN 101 12.241 -1.225 6.693
245 HO4 MAN 101 HO4 MAN 101 13.133 -2.799 6.160
246 HO6 MAN 101 HO6 MAN 101 10.214 -7.134 8.121
Start of MODEL 7
1 H1 THR 1 H1 THR 1 -4.575 -7.798 6.617
2 H2 THR 1 H2 THR 1 -5.575 -9.035 5.992
3 H3 THR 1 H3 THR 1 -6.250 -7.605 6.588
4 HA THR 1 HA THR 1 -4.476 -7.753 4.279
5 HB THR 1 HB THR 1 -7.505 -7.506 4.368
6 HG1 THR 1 HG1 THR 1 -7.050 -9.759 3.340
7 HG21 THR 1 HG21 THR 1 -5.571 -8.069 2.112
8 HG22 THR 1 HG22 THR 1 -6.403 -6.538 2.374
9 HG23 THR 1 HG23 THR 1 -7.325 -7.989 1.972
10 H GLN 2 H GLN 2 -4.164 -5.664 3.295
11 HA GLN 2 HA GLN 2 -4.610 -3.532 5.211
12 HB2 GLN 2 HB2 GLN 2 -2.380 -4.233 3.931
13 HB3 GLN 2 HB3 GLN 2 -3.016 -3.178 2.696
14 HG2 GLN 2 HG2 GLN 2 -2.605 -2.317 5.561
15 HG3 GLN 2 HG3 GLN 2 -1.383 -2.130 4.310
16 HE21 GLN 2 HE21 GLN 2 -3.118 -1.417 2.220
17 HE22 GLN 2 HE22 GLN 2 -3.794 0.112 2.583
18 H SER 3 H SER 3 -5.839 -1.768 4.836
19 HA SER 3 HA SER 3 -7.975 -2.089 2.967
20 HB2 SER 3 HB2 SER 3 -7.461 0.073 4.990
21 HB3 SER 3 HB3 SER 3 -8.995 -0.266 4.188
22 HG SER 3 HG SER 3 -8.119 -1.310 6.407
23 H HIS 4 H HIS 4 -8.905 -0.054 1.971
24 HA HIS 4 HA HIS 4 -7.249 0.797 -0.147
25 HB2 HIS 4 HB2 HIS 4 -9.802 0.505 -0.070
26 HB3 HIS 4 HB3 HIS 4 -9.847 2.068 0.723
27 HD1 HIS 4 HD1 HIS 4 -11.346 2.663 -1.429
28 HD2 HIS 4 HD2 HIS 4 -7.328 1.984 -2.148
29 HE1 HIS 4 HE1 HIS 4 -10.939 3.464 -3.761
30 HE2 HIS 4 HE2 HIS 4 -8.642 2.514 -4.236
31 H TYR 5 H TYR 5 -6.004 2.563 -0.356
32 HA TYR 5 HA TYR 5 -5.026 4.495 -0.100
33 HB2 TYR 5 HB2 TYR 5 -7.266 5.223 1.788
34 HB3 TYR 5 HB3 TYR 5 -5.979 6.335 1.346
35 HD1 TYR 5 HD1 TYR 5 -5.608 6.549 -1.285
36 HD2 TYR 5 HD2 TYR 5 -9.232 5.328 0.569
37 HE1 TYR 5 HE1 TYR 5 -6.850 7.213 -3.295
38 HE2 TYR 5 HE2 TYR 5 -10.484 5.985 -1.437
39 HH TYR 5 HH TYR 5 -9.034 6.574 -4.389
40 H GLY 6 H GLY 6 -4.877 2.183 1.995
41 HA2 GLY 6 HA2 GLY 6 -3.150 3.614 3.878
42 HA3 GLY 6 HA3 GLY 6 -3.618 1.916 3.985
43 H GLN 7 H GLN 7 -1.010 2.402 4.346
44 HA GLN 7 HA GLN 7 0.362 2.185 1.803
45 HB2 GLN 7 HB2 GLN 7 1.402 3.574 3.536
46 HB3 GLN 7 HB3 GLN 7 1.405 2.217 4.648
47 HG2 GLN 7 HG2 GLN 7 3.045 1.058 3.297
48 HG3 GLN 7 HG3 GLN 7 2.993 2.324 2.073
49 HE21 GLN 7 HE21 GLN 7 5.283 2.765 2.338
50 HE22 GLN 7 HE22 GLN 7 5.846 3.540 3.747
51 H CYS 8 H CYS 8 0.703 0.356 0.860
52 HA CYS 8 HA CYS 8 -0.021 -2.124 2.135
53 HB2 CYS 8 HB2 CYS 8 0.618 -3.023 -0.180
54 HB3 CYS 8 HB3 CYS 8 -0.781 -1.960 -0.058
55 H GLY 9 H GLY 9 2.932 -0.871 0.617
56 HA2 GLY 9 HA2 GLY 9 4.617 -2.037 2.504
57 HA3 GLY 9 HA3 GLY 9 4.417 -3.171 1.176
58 H GLY 10 H GLY 10 5.524 -0.054 2.116
59 HA2 GLY 10 HA2 GLY 10 7.125 0.063 -0.340
60 HA3 GLY 10 HA3 GLY 10 6.691 1.467 0.646
61 H ILE 11 H ILE 11 9.210 1.479 0.371
62 HA ILE 11 HA ILE 11 10.719 -0.233 2.028
63 HB ILE 11 HB ILE 11 11.394 2.626 1.229
64 HG12 ILE 11 HG12 ILE 11 12.143 0.040 -0.164
65 HG13 ILE 11 HG13 ILE 11 10.901 1.151 -0.721
66 HG21 ILE 11 HG21 ILE 11 13.731 1.933 1.578
67 HG22 ILE 11 HG22 ILE 11 13.177 0.342 2.099
68 HG23 ILE 11 HG23 ILE 11 12.783 1.770 3.058
69 HD11 ILE 11 HD11 ILE 11 13.833 1.787 -0.454
70 HD12 ILE 11 HD12 ILE 11 12.584 2.881 -1.048
71 HD13 ILE 11 HD13 ILE 11 12.983 1.426 -1.957
72 H GLY 12 H GLY 12 10.893 -0.288 4.150
73 HA2 GLY 12 HA2 GLY 12 11.195 0.692 6.298
74 HA3 GLY 12 HA3 GLY 12 10.294 2.097 5.747
75 H TYR 13 H TYR 13 8.474 -0.200 4.550
76 HA TYR 13 HA TYR 13 6.800 -0.344 6.962
77 HB2 TYR 13 HB2 TYR 13 5.830 0.879 5.013
78 HB3 TYR 13 HB3 TYR 13 5.994 -0.578 4.047
79 HD1 TYR 13 HD1 TYR 13 3.968 1.199 6.463
80 HD2 TYR 13 HD2 TYR 13 4.541 -2.579 4.595
81 HE1 TYR 13 HE1 TYR 13 1.715 0.519 7.148
82 HE2 TYR 13 HE2 TYR 13 2.289 -3.266 5.284
83 HH TYR 13 HH TYR 13 0.017 -1.167 6.183
84 H SER 14 H SER 14 6.030 -2.320 7.624
85 HA SER 14 HA SER 14 6.385 -4.631 5.938
86 HB2 SER 14 HB2 SER 14 7.473 -5.910 7.736
87 HB3 SER 14 HB3 SER 14 8.453 -4.497 7.336
88 H GLY 15 H GLY 15 4.684 -6.098 6.328
89 HA2 GLY 15 HA2 GLY 15 3.162 -6.593 8.417
90 HA3 GLY 15 HA3 GLY 15 2.580 -4.992 7.959
91 HA PRO 16 HA PRO 16 0.117 -7.685 5.332
92 HB2 PRO 16 HB2 PRO 16 -1.931 -5.719 5.200
93 HB3 PRO 16 HB3 PRO 16 -1.928 -7.183 6.171
94 HG2 PRO 16 HG2 PRO 16 -1.811 -4.577 7.163
95 HG3 PRO 16 HG3 PRO 16 -1.435 -6.063 8.047
96 HD2 PRO 16 HD2 PRO 16 0.400 -4.084 6.810
97 HD3 PRO 16 HD3 PRO 16 0.612 -5.093 8.260
98 H THR 17 H THR 17 1.393 -7.457 3.513
99 HA THR 17 HA THR 17 1.434 -4.992 2.070
100 HB THR 17 HB THR 17 2.851 -6.303 0.453
101 HG1 THR 17 HG1 THR 17 3.270 -8.404 0.861
102 HG21 THR 17 HG21 THR 17 3.837 -5.034 2.303
103 HG22 THR 17 HG22 THR 17 4.748 -6.523 2.028
104 HG23 THR 17 HG23 THR 17 3.616 -6.413 3.374
105 H VAL 18 H VAL 18 -0.492 -7.770 2.103
106 HA VAL 18 HA VAL 18 -1.445 -7.490 -0.605
107 HB VAL 18 HB VAL 18 -2.580 -9.173 1.656
108 HG11 VAL 18 HG11 VAL 18 -4.225 -8.737 -0.088
109 HG12 VAL 18 HG12 VAL 18 -3.726 -10.428 -0.104
110 HG13 VAL 18 HG13 VAL 18 -3.093 -9.311 -1.314
111 HG21 VAL 18 HG21 VAL 18 -0.724 -9.963 -0.593
112 HG22 VAL 18 HG22 VAL 18 -1.448 -11.066 0.579
113 HG23 VAL 18 HG23 VAL 18 -0.295 -9.844 1.114
114 H CYS 19 H CYS 19 -2.925 -6.108 -1.198
115 HA CYS 19 HA CYS 19 -4.337 -4.510 0.743
116 HB2 CYS 19 HB2 CYS 19 -4.383 -4.425 -2.282
117 HB3 CYS 19 HB3 CYS 19 -5.029 -3.211 -1.190
118 H ALA 20 H ALA 20 -6.664 -4.156 0.431
119 HA ALA 20 HA ALA 20 -8.138 -6.537 0.428
120 HB1 ALA 20 HB1 ALA 20 -8.903 -4.518 1.578
121 HB2 ALA 20 HB2 ALA 20 -10.121 -5.092 0.432
122 HB3 ALA 20 HB3 ALA 20 -9.111 -3.709 0.023
123 H SER 21 H SER 21 -9.660 -7.341 -1.101
124 HA SER 21 HA SER 21 -8.785 -7.379 -3.714
125 HB2 SER 21 HB2 SER 21 -11.141 -8.394 -4.093
126 HB3 SER 21 HB3 SER 21 -10.020 -9.235 -3.013
127 HG SER 21 HG SER 21 -12.117 -7.469 -2.245
128 H GLY 22 H GLY 22 -8.981 -6.033 -5.311
129 HA2 GLY 22 HA2 GLY 22 -10.381 -4.642 -6.708
130 HA3 GLY 22 HA3 GLY 22 -11.164 -4.055 -5.244
131 H THR 23 H THR 23 -8.371 -4.045 -4.005
132 HA THR 23 HA THR 23 -7.590 -1.477 -5.192
133 HB THR 23 HB THR 23 -6.680 -0.821 -2.996
134 HG1 THR 23 HG1 THR 23 -7.319 -3.497 -2.364
135 HG21 THR 23 HG21 THR 23 -8.768 -0.711 -1.723
136 HG22 THR 23 HG22 THR 23 -9.465 -1.939 -2.778
137 HG23 THR 23 HG23 THR 23 -9.032 -0.357 -3.432
138 H THR 24 H THR 24 -5.422 -1.098 -5.611
139 HA THR 24 HA THR 24 -3.790 -3.530 -5.619
140 HB THR 24 HB THR 24 -2.700 -2.471 -7.663
141 HG1 THR 24 HG1 THR 24 -4.802 -0.634 -7.210
142 HG21 THR 24 HG21 THR 24 -5.606 -3.287 -7.835
143 HG22 THR 24 HG22 THR 24 -4.218 -4.377 -7.840
144 HG23 THR 24 HG23 THR 24 -4.471 -3.269 -9.185
145 H CYS 25 H CYS 25 -1.663 -3.366 -5.000
146 HA CYS 25 HA CYS 25 -0.953 -1.099 -3.405
147 HB2 CYS 25 HB2 CYS 25 -0.253 -3.371 -2.755
148 HB3 CYS 25 HB3 CYS 25 0.680 -3.521 -4.240
149 H GLN 26 H GLN 26 -0.522 0.729 -4.453
150 HA GLN 26 HA GLN 26 1.165 0.525 -6.806
151 HB2 GLN 26 HB2 GLN 26 -0.843 2.643 -6.073
152 HB3 GLN 26 HB3 GLN 26 0.236 2.740 -7.455
153 HG2 GLN 26 HG2 GLN 26 -0.774 0.628 -8.308
154 HG3 GLN 26 HG3 GLN 26 -1.925 0.700 -6.979
155 HE21 GLN 26 HE21 GLN 26 -3.660 0.863 -8.312
156 HE22 GLN 26 HE22 GLN 26 -4.028 2.286 -9.220
157 H VAL 27 H VAL 27 3.036 1.388 -6.798
158 HA VAL 27 HA VAL 27 4.039 2.589 -4.383
159 HB VAL 27 HB VAL 27 5.454 2.054 -7.019
160 HG11 VAL 27 HG11 VAL 27 6.618 3.699 -5.657
161 HG12 VAL 27 HG12 VAL 27 7.522 2.186 -5.722
162 HG13 VAL 27 HG13 VAL 27 6.587 2.596 -4.282
163 HG21 VAL 27 HG21 VAL 27 5.325 0.366 -4.524
164 HG22 VAL 27 HG22 VAL 27 6.350 0.045 -5.923
165 HG23 VAL 27 HG23 VAL 27 4.592 -0.008 -6.084
166 H LEU 28 H LEU 28 3.651 4.665 -4.088
167 HA LEU 28 HA LEU 28 3.231 6.423 -6.376
168 HB2 LEU 28 HB2 LEU 28 2.935 6.968 -3.420
169 HB3 LEU 28 HB3 LEU 28 2.497 8.077 -4.702
170 HG LEU 28 HG LEU 28 1.177 5.423 -4.117
171 HD11 LEU 28 HD11 LEU 28 -0.760 6.794 -3.540
172 HD12 LEU 28 HD12 LEU 28 0.210 8.250 -3.782
173 HD13 LEU 28 HD13 LEU 28 0.628 7.110 -2.500
174 HD21 LEU 28 HD21 LEU 28 0.556 7.495 -6.205
175 HD22 LEU 28 HD22 LEU 28 -0.449 6.096 -5.813
176 HD23 LEU 28 HD23 LEU 28 1.160 5.859 -6.498
177 H ASN 29 H ASN 29 5.211 6.160 -3.509
178 HA ASN 29 HA ASN 29 7.234 7.897 -4.750
179 HB2 ASN 29 HB2 ASN 29 6.680 7.619 -1.756
180 HB3 ASN 29 HB3 ASN 29 7.918 8.596 -2.516
181 HD21 ASN 29 HD21 ASN 29 5.880 9.383 -0.663
182 HD22 ASN 29 HD22 ASN 29 4.938 10.597 -1.435
183 HA PRO 30 HA PRO 30 10.006 4.445 -4.260
184 HB2 PRO 30 HB2 PRO 30 11.620 6.097 -2.359
185 HB3 PRO 30 HB3 PRO 30 12.155 5.146 -3.752
186 HG2 PRO 30 HG2 PRO 30 11.994 7.749 -3.996
187 HG3 PRO 30 HG3 PRO 30 11.344 6.720 -5.289
188 HD2 PRO 30 HD2 PRO 30 9.885 8.186 -3.131
189 HD3 PRO 30 HD3 PRO 30 9.458 8.018 -4.846
190 H TYR 31 H TYR 31 9.276 6.100 -1.217
191 HA TYR 31 HA TYR 31 9.511 3.522 0.184
192 HB2 TYR 31 HB2 TYR 31 9.192 6.313 1.318
193 HB3 TYR 31 HB3 TYR 31 9.443 4.853 2.255
194 HD1 TYR 31 HD1 TYR 31 11.643 4.176 2.793
195 HD2 TYR 31 HD2 TYR 31 11.070 7.025 -0.307
196 HE1 TYR 31 HE1 TYR 31 14.075 4.565 2.689
197 HE2 TYR 31 HE2 TYR 31 13.483 7.410 -0.417
198 HH TYR 31 HH TYR 31 15.679 5.367 0.952
199 H TYR 32 H TYR 32 7.199 5.872 -0.886
200 HA TYR 32 HA TYR 32 5.159 4.775 0.883
201 HB2 TYR 32 HB2 TYR 32 5.379 7.250 0.720
202 HB3 TYR 32 HB3 TYR 32 4.872 7.142 -0.962
203 HD1 TYR 32 HD1 TYR 32 2.621 7.623 -1.386
204 HD2 TYR 32 HD2 TYR 32 3.713 5.915 2.366
205 HE1 TYR 32 HE1 TYR 32 0.283 7.748 -0.629
206 HE2 TYR 32 HE2 TYR 32 1.376 6.043 3.101
207 HH TYR 32 HH TYR 32 -1.166 6.874 0.917
208 H SER 33 H SER 33 4.050 3.112 0.219
209 HA SER 33 HA SER 33 3.132 3.038 -2.560
210 HB2 SER 33 HB2 SER 33 3.759 0.652 -0.788
211 HB3 SER 33 HB3 SER 33 3.338 0.626 -2.504
212 HG SER 33 HG SER 33 5.462 0.606 -2.673
213 H GLN 34 H GLN 34 0.937 2.853 -2.726
214 HA GLN 34 HA GLN 34 -0.555 2.476 -0.231
215 HB2 GLN 34 HB2 GLN 34 -0.487 4.811 -0.478
216 HB3 GLN 34 HB3 GLN 34 -0.724 4.746 -2.206
217 HG2 GLN 34 HG2 GLN 34 -3.042 4.074 -1.865
218 HG3 GLN 34 HG3 GLN 34 -2.785 4.083 -0.117
219 HE21 GLN 34 HE21 GLN 34 -2.798 6.018 0.967
220 HE22 GLN 34 HE22 GLN 34 -3.152 7.515 0.187
221 H CYS 35 H CYS 35 -2.494 1.411 -0.389
222 HA CYS 35 HA CYS 35 -2.970 -0.091 -2.770
223 HB2 CYS 35 HB2 CYS 35 -4.669 0.140 -0.287
224 HB3 CYS 35 HB3 CYS 35 -4.786 -1.073 -1.543
225 H LEU 36 H LEU 36 -3.795 0.924 -4.423
226 HA LEU 36 HA LEU 36 -6.038 2.757 -4.057
227 HB2 LEU 36 HB2 LEU 36 -4.082 2.462 -6.336
228 HB3 LEU 36 HB3 LEU 36 -5.492 3.502 -6.381
229 HG LEU 36 HG LEU 36 -3.154 3.813 -4.487
230 HD11 LEU 36 HD11 LEU 36 -2.554 4.356 -6.785
231 HD12 LEU 36 HD12 LEU 36 -2.655 5.816 -5.794
232 HD13 LEU 36 HD13 LEU 36 -3.959 5.416 -6.911
233 HD21 LEU 36 HD21 LEU 36 -5.588 5.533 -4.945
234 HD22 LEU 36 HD22 LEU 36 -4.201 5.960 -3.947
235 HD23 LEU 36 HD23 LEU 36 -5.221 4.602 -3.491
236 H1 MAN 101 H1 MAN 101 8.945 -5.690 9.634
237 H2 MAN 101 H2 MAN 101 7.316 -4.913 11.569
238 H3 MAN 101 H3 MAN 101 7.888 -3.114 12.792
239 H4 MAN 101 H4 MAN 101 8.592 -1.148 11.368
240 H5 MAN 101 H5 MAN 101 8.714 -2.045 8.766
241 H61 MAN 101 H61 MAN 101 11.122 -1.725 8.842
242 H62 MAN 101 H62 MAN 101 11.138 -1.837 10.618
243 HO2 MAN 101 HO2 MAN 101 9.113 -6.367 11.705
244 HO3 MAN 101 HO3 MAN 101 9.947 -3.988 12.970
245 HO4 MAN 101 HO4 MAN 101 6.762 -2.964 10.128
246 HO6 MAN 101 HO6 MAN 101 9.715 0.122 9.060
Start of MODEL 8
1 H1 THR 1 H1 THR 1 -6.084 -7.279 6.650
2 H2 THR 1 H2 THR 1 -4.422 -7.468 6.450
3 H3 THR 1 H3 THR 1 -5.510 -8.698 5.967
4 HA THR 1 HA THR 1 -4.700 -7.468 4.089
5 HB THR 1 HB THR 1 -7.631 -7.001 4.701
6 HG1 THR 1 HG1 THR 1 -7.142 -9.345 3.461
7 HG21 THR 1 HG21 THR 1 -6.836 -6.102 2.565
8 HG22 THR 1 HG22 THR 1 -7.882 -7.501 2.301
9 HG23 THR 1 HG23 THR 1 -6.134 -7.666 2.164
10 H GLN 2 H GLN 2 -4.123 -5.464 3.306
11 HA GLN 2 HA GLN 2 -4.374 -3.282 5.181
12 HB2 GLN 2 HB2 GLN 2 -2.272 -4.179 3.779
13 HB3 GLN 2 HB3 GLN 2 -2.877 -3.039 2.601
14 HG2 GLN 2 HG2 GLN 2 -2.243 -2.294 5.457
15 HG3 GLN 2 HG3 GLN 2 -1.076 -2.173 4.148
16 HE21 GLN 2 HE21 GLN 2 -2.932 -1.271 2.194
17 HE22 GLN 2 HE22 GLN 2 -3.411 0.313 2.618
18 H SER 3 H SER 3 -5.475 -1.442 4.800
19 HA SER 3 HA SER 3 -7.732 -1.641 3.121
20 HB2 SER 3 HB2 SER 3 -6.833 0.631 4.879
21 HB3 SER 3 HB3 SER 3 -8.454 0.390 4.224
22 HG SER 3 HG SER 3 -8.680 -0.553 6.075
23 H HIS 4 H HIS 4 -8.543 0.075 1.810
24 HA HIS 4 HA HIS 4 -6.905 0.826 -0.353
25 HB2 HIS 4 HB2 HIS 4 -9.468 0.471 -0.246
26 HB3 HIS 4 HB3 HIS 4 -9.544 2.094 0.410
27 HD1 HIS 4 HD1 HIS 4 -11.008 2.700 -1.738
28 HD2 HIS 4 HD2 HIS 4 -7.085 1.623 -2.519
29 HE1 HIS 4 HE1 HIS 4 -10.631 3.234 -4.146
30 HE2 HIS 4 HE2 HIS 4 -8.428 2.062 -4.604
31 H TYR 5 H TYR 5 -5.772 2.708 -0.723
32 HA TYR 5 HA TYR 5 -4.780 4.649 -0.438
33 HB2 TYR 5 HB2 TYR 5 -7.116 5.337 1.353
34 HB3 TYR 5 HB3 TYR 5 -5.845 6.477 0.930
35 HD1 TYR 5 HD1 TYR 5 -8.970 5.077 -0.013
36 HD2 TYR 5 HD2 TYR 5 -5.491 6.952 -1.567
37 HE1 TYR 5 HE1 TYR 5 -10.204 5.671 -2.046
38 HE2 TYR 5 HE2 TYR 5 -6.718 7.557 -3.607
39 HH TYR 5 HH TYR 5 -10.066 7.363 -3.779
40 H GLY 6 H GLY 6 -4.460 2.340 1.475
41 HA2 GLY 6 HA2 GLY 6 -2.952 3.852 3.482
42 HA3 GLY 6 HA3 GLY 6 -3.501 2.187 3.695
43 H GLN 7 H GLN 7 -0.879 2.811 4.154
44 HA GLN 7 HA GLN 7 0.729 2.335 1.826
45 HB2 GLN 7 HB2 GLN 7 1.557 3.682 3.737
46 HB3 GLN 7 HB3 GLN 7 1.525 2.244 4.743
47 HG2 GLN 7 HG2 GLN 7 3.207 1.199 3.295
48 HG3 GLN 7 HG3 GLN 7 3.253 2.649 2.298
49 HE21 GLN 7 HE21 GLN 7 5.497 3.040 2.743
50 HE22 GLN 7 HE22 GLN 7 5.994 3.512 4.301
51 H CYS 8 H CYS 8 0.820 0.481 0.904
52 HA CYS 8 HA CYS 8 0.133 -1.971 2.303
53 HB2 CYS 8 HB2 CYS 8 0.298 -2.921 -0.027
54 HB3 CYS 8 HB3 CYS 8 -0.946 -1.703 0.258
55 H GLY 9 H GLY 9 2.998 -0.542 0.878
56 HA2 GLY 9 HA2 GLY 9 4.752 -2.200 2.252
57 HA3 GLY 9 HA3 GLY 9 4.435 -2.981 0.712
58 H GLY 10 H GLY 10 5.489 0.013 2.168
59 HA2 GLY 10 HA2 GLY 10 6.974 0.613 -0.289
60 HA3 GLY 10 HA3 GLY 10 6.631 1.759 1.012
61 H ILE 11 H ILE 11 9.149 1.805 0.433
62 HA ILE 11 HA ILE 11 10.785 -0.213 1.518
63 HB ILE 11 HB ILE 11 11.441 2.740 1.199
64 HG12 ILE 11 HG12 ILE 11 11.954 0.416 -0.678
65 HG13 ILE 11 HG13 ILE 11 10.725 1.651 -0.908
66 HG21 ILE 11 HG21 ILE 11 13.787 2.006 1.175
67 HG22 ILE 11 HG22 ILE 11 13.270 0.350 1.489
68 HG23 ILE 11 HG23 ILE 11 12.992 1.605 2.701
69 HD11 ILE 11 HD11 ILE 11 12.669 2.063 -2.298
70 HD12 ILE 11 HD12 ILE 11 13.703 2.094 -0.870
71 HD13 ILE 11 HD13 ILE 11 12.481 3.346 -1.102
72 H GLY 12 H GLY 12 10.800 -0.838 3.559
73 HA2 GLY 12 HA2 GLY 12 11.522 -0.347 5.801
74 HA3 GLY 12 HA3 GLY 12 10.750 1.229 5.651
75 H TYR 13 H TYR 13 8.487 -0.364 4.241
76 HA TYR 13 HA TYR 13 7.022 -0.744 6.710
77 HB2 TYR 13 HB2 TYR 13 6.014 0.512 4.787
78 HB3 TYR 13 HB3 TYR 13 6.011 -0.976 3.858
79 HD1 TYR 13 HD1 TYR 13 4.342 -2.737 4.340
80 HD2 TYR 13 HD2 TYR 13 4.463 0.847 6.630
81 HE1 TYR 13 HE1 TYR 13 2.120 -3.253 5.250
82 HE2 TYR 13 HE2 TYR 13 2.247 0.345 7.552
83 HH TYR 13 HH TYR 13 0.258 -0.965 6.745
84 H SER 14 H SER 14 6.296 -2.628 7.456
85 HA SER 14 HA SER 14 6.726 -5.077 5.946
86 HB2 SER 14 HB2 SER 14 7.738 -6.060 8.025
87 HB3 SER 14 HB3 SER 14 8.734 -4.790 7.303
88 H GLY 15 H GLY 15 4.898 -6.354 6.177
89 HA2 GLY 15 HA2 GLY 15 3.497 -7.144 8.224
90 HA3 GLY 15 HA3 GLY 15 2.987 -5.461 8.178
91 HA PRO 16 HA PRO 16 -0.175 -7.345 5.594
92 HB2 PRO 16 HB2 PRO 16 -1.425 -4.696 5.640
93 HB3 PRO 16 HB3 PRO 16 -2.050 -6.227 6.255
94 HG2 PRO 16 HG2 PRO 16 -1.264 -4.237 7.887
95 HG3 PRO 16 HG3 PRO 16 -1.071 -5.948 8.317
96 HD2 PRO 16 HD2 PRO 16 0.966 -4.017 7.274
97 HD3 PRO 16 HD3 PRO 16 1.094 -5.238 8.564
98 H THR 17 H THR 17 0.932 -7.545 3.669
99 HA THR 17 HA THR 17 1.340 -5.175 2.063
100 HB THR 17 HB THR 17 2.533 -6.925 0.577
101 HG1 THR 17 HG1 THR 17 3.184 -8.529 2.564
102 HG21 THR 17 HG21 THR 17 3.548 -6.316 3.362
103 HG22 THR 17 HG22 THR 17 3.705 -5.259 1.964
104 HG23 THR 17 HG23 THR 17 4.549 -6.812 1.996
105 H VAL 18 H VAL 18 -0.853 -7.743 2.391
106 HA VAL 18 HA VAL 18 -1.739 -7.693 -0.367
107 HB VAL 18 HB VAL 18 -2.947 -9.108 2.040
108 HG11 VAL 18 HG11 VAL 18 -3.535 -9.463 -0.898
109 HG12 VAL 18 HG12 VAL 18 -4.608 -8.728 0.291
110 HG13 VAL 18 HG13 VAL 18 -4.204 -10.442 0.409
111 HG21 VAL 18 HG21 VAL 18 -1.192 -10.184 -0.166
112 HG22 VAL 18 HG22 VAL 18 -1.954 -11.151 1.095
113 HG23 VAL 18 HG23 VAL 18 -0.721 -9.962 1.517
114 H CYS 19 H CYS 19 -3.136 -6.252 -1.090
115 HA CYS 19 HA CYS 19 -4.458 -4.462 0.735
116 HB2 CYS 19 HB2 CYS 19 -4.419 -4.548 -2.289
117 HB3 CYS 19 HB3 CYS 19 -5.117 -3.265 -1.316
118 H ALA 20 H ALA 20 -6.783 -3.885 0.231
119 HA ALA 20 HA ALA 20 -8.403 -6.162 0.633
120 HB1 ALA 20 HB1 ALA 20 -9.241 -3.334 -0.002
121 HB2 ALA 20 HB2 ALA 20 -8.895 -3.966 1.609
122 HB3 ALA 20 HB3 ALA 20 -10.260 -4.598 0.690
123 H SER 21 H SER 21 -10.449 -6.520 -0.620
124 HA SER 21 HA SER 21 -9.943 -7.550 -3.091
125 HB2 SER 21 HB2 SER 21 -12.605 -6.634 -2.011
126 HB3 SER 21 HB3 SER 21 -12.313 -7.925 -3.183
127 HG SER 21 HG SER 21 -12.626 -8.603 -0.929
128 H GLY 22 H GLY 22 -9.380 -6.464 -4.876
129 HA2 GLY 22 HA2 GLY 22 -10.083 -5.291 -6.787
130 HA3 GLY 22 HA3 GLY 22 -11.148 -4.327 -5.778
131 H THR 23 H THR 23 -8.262 -4.484 -4.171
132 HA THR 23 HA THR 23 -7.462 -1.977 -5.451
133 HB THR 23 HB THR 23 -6.591 -1.186 -3.276
134 HG1 THR 23 HG1 THR 23 -7.436 -3.752 -2.467
135 HG21 THR 23 HG21 THR 23 -8.746 -0.875 -2.146
136 HG22 THR 23 HG22 THR 23 -9.446 -2.123 -3.186
137 HG23 THR 23 HG23 THR 23 -8.867 -0.613 -3.885
138 H THR 24 H THR 24 -5.350 -1.561 -5.824
139 HA THR 24 HA THR 24 -3.633 -3.920 -5.636
140 HB THR 24 HB THR 24 -2.484 -2.932 -7.657
141 HG1 THR 24 HG1 THR 24 -4.685 -1.169 -7.455
142 HG21 THR 24 HG21 THR 24 -4.159 -3.853 -9.235
143 HG22 THR 24 HG22 THR 24 -5.346 -3.852 -7.930
144 HG23 THR 24 HG23 THR 24 -3.927 -4.890 -7.827
145 H CYS 25 H CYS 25 -1.509 -3.644 -5.019
146 HA CYS 25 HA CYS 25 -0.978 -1.254 -3.493
147 HB2 CYS 25 HB2 CYS 25 -0.370 -3.466 -2.588
148 HB3 CYS 25 HB3 CYS 25 0.684 -3.742 -3.969
149 H GLN 26 H GLN 26 -0.243 0.484 -4.562
150 HA GLN 26 HA GLN 26 1.685 0.022 -6.729
151 HB2 GLN 26 HB2 GLN 26 -0.357 2.232 -6.518
152 HB3 GLN 26 HB3 GLN 26 0.795 2.011 -7.824
153 HG2 GLN 26 HG2 GLN 26 -0.280 -0.089 -8.427
154 HG3 GLN 26 HG3 GLN 26 -1.426 0.119 -7.103
155 HE21 GLN 26 HE21 GLN 26 -3.185 0.154 -8.411
156 HE22 GLN 26 HE22 GLN 26 -3.546 1.462 -9.468
157 H VAL 27 H VAL 27 3.467 1.268 -6.687
158 HA VAL 27 HA VAL 27 4.152 2.541 -4.234
159 HB VAL 27 HB VAL 27 5.613 2.567 -6.899
160 HG11 VAL 27 HG11 VAL 27 6.640 3.124 -4.122
161 HG12 VAL 27 HG12 VAL 27 6.349 4.325 -5.376
162 HG13 VAL 27 HG13 VAL 27 7.602 3.105 -5.602
163 HG21 VAL 27 HG21 VAL 27 5.270 0.282 -6.110
164 HG22 VAL 27 HG22 VAL 27 5.959 0.711 -4.544
165 HG23 VAL 27 HG23 VAL 27 6.967 0.736 -5.989
166 H LEU 28 H LEU 28 3.668 4.615 -3.746
167 HA LEU 28 HA LEU 28 2.716 6.333 -5.925
168 HB2 LEU 28 HB2 LEU 28 1.394 5.825 -3.713
169 HB3 LEU 28 HB3 LEU 28 2.520 6.942 -2.982
170 HG LEU 28 HG LEU 28 0.593 7.665 -5.209
171 HD11 LEU 28 HD11 LEU 28 -0.610 7.093 -3.192
172 HD12 LEU 28 HD12 LEU 28 -0.678 8.831 -3.485
173 HD13 LEU 28 HD13 LEU 28 0.405 8.187 -2.254
174 HD21 LEU 28 HD21 LEU 28 1.109 9.987 -4.634
175 HD22 LEU 28 HD22 LEU 28 2.575 9.131 -5.119
176 HD23 LEU 28 HD23 LEU 28 2.259 9.439 -3.416
177 H ASN 29 H ASN 29 4.930 6.211 -3.192
178 HA ASN 29 HA ASN 29 6.646 8.194 -4.483
179 HB2 ASN 29 HB2 ASN 29 6.013 8.143 -1.496
180 HB3 ASN 29 HB3 ASN 29 7.178 9.192 -2.278
181 HD21 ASN 29 HD21 ASN 29 3.964 8.788 -1.307
182 HD22 ASN 29 HD22 ASN 29 3.356 10.253 -1.968
183 HA PRO 30 HA PRO 30 9.997 5.361 -3.780
184 HB2 PRO 30 HB2 PRO 30 11.066 7.165 -1.635
185 HB3 PRO 30 HB3 PRO 30 11.933 6.355 -2.945
186 HG2 PRO 30 HG2 PRO 30 11.350 8.903 -3.193
187 HG3 PRO 30 HG3 PRO 30 11.095 7.817 -4.570
188 HD2 PRO 30 HD2 PRO 30 9.109 9.010 -2.707
189 HD3 PRO 30 HD3 PRO 30 8.952 8.699 -4.447
190 H TYR 31 H TYR 31 8.892 6.660 -0.626
191 HA TYR 31 HA TYR 31 9.279 3.970 0.495
192 HB2 TYR 31 HB2 TYR 31 8.766 6.615 1.863
193 HB3 TYR 31 HB3 TYR 31 8.895 5.078 2.697
194 HD1 TYR 31 HD1 TYR 31 10.782 7.528 0.653
195 HD2 TYR 31 HD2 TYR 31 10.998 4.188 3.269
196 HE1 TYR 31 HE1 TYR 31 13.205 7.858 0.871
197 HE2 TYR 31 HE2 TYR 31 13.419 4.513 3.487
198 HH TYR 31 HH TYR 31 15.215 5.515 2.282
199 H TYR 32 H TYR 32 6.814 6.196 -0.441
200 HA TYR 32 HA TYR 32 4.871 4.733 1.159
201 HB2 TYR 32 HB2 TYR 32 4.824 7.282 1.106
202 HB3 TYR 32 HB3 TYR 32 4.301 7.124 -0.556
203 HD1 TYR 32 HD1 TYR 32 2.056 7.054 -1.036
204 HD2 TYR 32 HD2 TYR 32 3.358 5.899 2.835
205 HE1 TYR 32 HE1 TYR 32 -0.273 6.783 -0.334
206 HE2 TYR 32 HE2 TYR 32 1.018 5.635 3.549
207 HH TYR 32 HH TYR 32 -1.180 6.358 2.929
208 H SER 33 H SER 33 4.031 2.961 0.304
209 HA SER 33 HA SER 33 3.187 3.046 -2.506
210 HB2 SER 33 HB2 SER 33 3.652 0.618 -0.732
211 HB3 SER 33 HB3 SER 33 3.220 0.596 -2.445
212 HG SER 33 HG SER 33 5.329 0.411 -2.550
213 H GLN 34 H GLN 34 0.984 2.670 -2.877
214 HA GLN 34 HA GLN 34 -0.635 2.520 -0.442
215 HB2 GLN 34 HB2 GLN 34 -0.373 4.847 -1.108
216 HB3 GLN 34 HB3 GLN 34 -0.945 4.469 -2.722
217 HG2 GLN 34 HG2 GLN 34 -3.124 3.939 -1.871
218 HG3 GLN 34 HG3 GLN 34 -2.561 4.159 -0.214
219 HE21 GLN 34 HE21 GLN 34 -2.231 6.231 0.562
220 HE22 GLN 34 HE22 GLN 34 -2.832 7.621 -0.248
221 H CYS 35 H CYS 35 -2.522 1.372 -0.629
222 HA CYS 35 HA CYS 35 -2.914 -0.235 -2.952
223 HB2 CYS 35 HB2 CYS 35 -4.770 0.145 -0.596
224 HB3 CYS 35 HB3 CYS 35 -4.807 -1.124 -1.789
225 H LEU 36 H LEU 36 -3.869 0.461 -4.686
226 HA LEU 36 HA LEU 36 -5.988 2.465 -4.516
227 HB2 LEU 36 HB2 LEU 36 -3.991 1.960 -6.728
228 HB3 LEU 36 HB3 LEU 36 -5.336 3.075 -6.840
229 HG LEU 36 HG LEU 36 -3.030 3.340 -4.902
230 HD11 LEU 36 HD11 LEU 36 -2.332 3.707 -7.213
231 HD12 LEU 36 HD12 LEU 36 -2.338 5.214 -6.295
232 HD13 LEU 36 HD13 LEU 36 -3.647 4.865 -7.425
233 HD21 LEU 36 HD21 LEU 36 -3.951 5.576 -4.492
234 HD22 LEU 36 HD22 LEU 36 -5.084 4.314 -4.029
235 HD23 LEU 36 HD23 LEU 36 -5.321 5.203 -5.536
236 H1 MAN 101 H1 MAN 101 9.005 -5.551 10.027
237 H2 MAN 101 H2 MAN 101 7.894 -2.986 11.127
238 H3 MAN 101 H3 MAN 101 9.547 -2.879 12.855
239 H4 MAN 101 H4 MAN 101 11.673 -2.467 11.183
240 H5 MAN 101 H5 MAN 101 9.324 -1.997 9.315
241 H61 MAN 101 H61 MAN 101 11.522 -0.994 8.813
242 H62 MAN 101 H62 MAN 101 10.989 -2.135 7.572
243 HO2 MAN 101 HO2 MAN 101 8.665 -5.532 12.133
244 HO3 MAN 101 HO3 MAN 101 10.946 -4.885 11.389
245 HO4 MAN 101 HO4 MAN 101 10.731 -0.412 10.884
246 HO6 MAN 101 HO6 MAN 101 12.295 -3.697 9.093
Start of MODEL 9
1 H1 THR 1 H1 THR 1 -7.863 -7.070 6.536
2 H2 THR 1 H2 THR 1 -6.286 -7.537 6.946
3 H3 THR 1 H3 THR 1 -7.335 -8.630 6.176
4 HA THR 1 HA THR 1 -5.712 -7.770 4.661
5 HB THR 1 HB THR 1 -8.465 -6.682 4.029
6 HG1 THR 1 HG1 THR 1 -9.218 -8.725 3.924
7 HG21 THR 1 HG21 THR 1 -6.429 -8.236 2.428
8 HG22 THR 1 HG22 THR 1 -6.734 -6.500 2.300
9 HG23 THR 1 HG23 THR 1 -7.982 -7.657 1.834
10 H GLN 2 H GLN 2 -4.897 -5.816 3.528
11 HA GLN 2 HA GLN 2 -4.921 -3.524 5.270
12 HB2 GLN 2 HB2 GLN 2 -2.955 -4.678 3.901
13 HB3 GLN 2 HB3 GLN 2 -3.545 -3.664 2.602
14 HG2 GLN 2 HG2 GLN 2 -2.526 -2.710 5.270
15 HG3 GLN 2 HG3 GLN 2 -1.624 -2.682 3.766
16 HE21 GLN 2 HE21 GLN 2 -2.389 -1.328 2.128
17 HE22 GLN 2 HE22 GLN 2 -3.296 0.090 2.495
18 H SER 3 H SER 3 -5.876 -1.584 4.786
19 HA SER 3 HA SER 3 -8.207 -1.725 3.134
20 HB2 SER 3 HB2 SER 3 -7.171 0.546 4.828
21 HB3 SER 3 HB3 SER 3 -8.804 0.358 4.190
22 HG SER 3 HG SER 3 -8.596 -0.290 6.363
23 H HIS 4 H HIS 4 -8.875 -0.009 1.721
24 HA HIS 4 HA HIS 4 -7.065 0.695 -0.335
25 HB2 HIS 4 HB2 HIS 4 -9.586 0.367 -0.512
26 HB3 HIS 4 HB3 HIS 4 -9.755 1.881 0.344
27 HD1 HIS 4 HD1 HIS 4 -11.209 2.419 -1.866
28 HD2 HIS 4 HD2 HIS 4 -7.107 2.200 -2.395
29 HE1 HIS 4 HE1 HIS 4 -10.753 3.499 -4.075
30 HE2 HIS 4 HE2 HIS 4 -8.368 2.965 -4.511
31 H TYR 5 H TYR 5 -5.892 2.523 -0.577
32 HA TYR 5 HA TYR 5 -4.937 4.500 -0.299
33 HB2 TYR 5 HB2 TYR 5 -7.125 5.165 1.678
34 HB3 TYR 5 HB3 TYR 5 -5.890 6.288 1.143
35 HD1 TYR 5 HD1 TYR 5 -5.789 6.671 -1.462
36 HD2 TYR 5 HD2 TYR 5 -9.153 5.114 0.611
37 HE1 TYR 5 HE1 TYR 5 -7.256 7.375 -3.310
38 HE2 TYR 5 HE2 TYR 5 -10.618 5.808 -1.224
39 HH TYR 5 HH TYR 5 -10.610 7.473 -3.010
40 H GLY 6 H GLY 6 -4.905 2.125 1.799
41 HA2 GLY 6 HA2 GLY 6 -3.308 3.509 3.807
42 HA3 GLY 6 HA3 GLY 6 -3.760 1.802 3.829
43 H GLN 7 H GLN 7 -1.154 2.584 4.337
44 HA GLN 7 HA GLN 7 0.322 2.294 1.896
45 HB2 GLN 7 HB2 GLN 7 1.203 3.687 3.719
46 HB3 GLN 7 HB3 GLN 7 1.246 2.284 4.774
47 HG2 GLN 7 HG2 GLN 7 2.922 1.249 3.322
48 HG3 GLN 7 HG3 GLN 7 2.875 2.659 2.267
49 HE21 GLN 7 HE21 GLN 7 5.155 3.087 2.669
50 HE22 GLN 7 HE22 GLN 7 5.596 3.701 4.198
51 H CYS 8 H CYS 8 0.625 0.463 0.967
52 HA CYS 8 HA CYS 8 -0.044 -2.031 2.248
53 HB2 CYS 8 HB2 CYS 8 0.591 -2.943 -0.044
54 HB3 CYS 8 HB3 CYS 8 -0.792 -1.856 0.044
55 H GLY 9 H GLY 9 2.870 -0.565 0.894
56 HA2 GLY 9 HA2 GLY 9 4.642 -1.561 2.681
57 HA3 GLY 9 HA3 GLY 9 4.442 -2.862 1.509
58 H GLY 10 H GLY 10 5.761 0.214 2.138
59 HA2 GLY 10 HA2 GLY 10 6.977 0.219 -0.536
60 HA3 GLY 10 HA3 GLY 10 6.782 1.649 0.483
61 H ILE 11 H ILE 11 9.207 1.658 -0.046
62 HA ILE 11 HA ILE 11 10.895 -0.183 1.252
63 HB ILE 11 HB ILE 11 11.436 2.749 0.646
64 HG12 ILE 11 HG12 ILE 11 12.078 0.300 -1.016
65 HG13 ILE 11 HG13 ILE 11 10.770 1.427 -1.348
66 HG21 ILE 11 HG21 ILE 11 13.340 0.462 1.166
67 HG22 ILE 11 HG22 ILE 11 13.030 1.830 2.236
68 HG23 ILE 11 HG23 ILE 11 13.801 2.091 0.672
69 HD11 ILE 11 HD11 ILE 11 12.691 1.865 -2.767
70 HD12 ILE 11 HD12 ILE 11 13.704 2.085 -1.339
71 HD13 ILE 11 HD13 ILE 11 12.394 3.218 -1.673
72 H GLY 12 H GLY 12 11.119 -0.502 3.379
73 HA2 GLY 12 HA2 GLY 12 11.724 0.314 5.533
74 HA3 GLY 12 HA3 GLY 12 10.897 1.818 5.154
75 H TYR 13 H TYR 13 8.789 -0.249 3.998
76 HA TYR 13 HA TYR 13 7.318 -0.390 6.527
77 HB2 TYR 13 HB2 TYR 13 6.204 0.733 4.618
78 HB3 TYR 13 HB3 TYR 13 6.350 -0.728 3.665
79 HD1 TYR 13 HD1 TYR 13 4.345 1.105 5.952
80 HD2 TYR 13 HD2 TYR 13 5.030 -2.831 4.532
81 HE1 TYR 13 HE1 TYR 13 2.130 0.423 6.773
82 HE2 TYR 13 HE2 TYR 13 2.815 -3.520 5.352
83 HH TYR 13 HH TYR 13 0.457 -1.387 6.134
84 H SER 14 H SER 14 6.780 -2.322 7.392
85 HA SER 14 HA SER 14 7.188 -4.724 5.809
86 HB2 SER 14 HB2 SER 14 8.253 -4.362 8.597
87 HB3 SER 14 HB3 SER 14 8.500 -5.767 7.561
88 H GLY 15 H GLY 15 5.105 -5.488 5.849
89 HA2 GLY 15 HA2 GLY 15 3.938 -6.376 8.205
90 HA3 GLY 15 HA3 GLY 15 3.251 -4.800 7.808
91 HA PRO 16 HA PRO 16 0.742 -7.851 5.541
92 HB2 PRO 16 HB2 PRO 16 -1.508 -6.081 5.913
93 HB3 PRO 16 HB3 PRO 16 -1.250 -7.677 6.614
94 HG2 PRO 16 HG2 PRO 16 -1.242 -5.343 8.065
95 HG3 PRO 16 HG3 PRO 16 -0.400 -6.817 8.558
96 HD2 PRO 16 HD2 PRO 16 0.684 -4.358 7.257
97 HD3 PRO 16 HD3 PRO 16 1.400 -5.379 8.530
98 H THR 17 H THR 17 1.441 -7.549 3.505
99 HA THR 17 HA THR 17 1.101 -5.052 2.147
100 HB THR 17 HB THR 17 2.096 -6.469 0.247
101 HG1 THR 17 HG1 THR 17 2.738 -8.442 0.740
102 HG21 THR 17 HG21 THR 17 3.648 -6.130 2.825
103 HG22 THR 17 HG22 THR 17 3.379 -4.868 1.625
104 HG23 THR 17 HG23 THR 17 4.336 -6.289 1.206
105 H VAL 18 H VAL 18 -0.767 -7.830 2.572
106 HA VAL 18 HA VAL 18 -1.963 -8.029 -0.012
107 HB VAL 18 HB VAL 18 -3.110 -9.005 2.619
108 HG11 VAL 18 HG11 VAL 18 -4.751 -8.975 0.827
109 HG12 VAL 18 HG12 VAL 18 -4.325 -10.638 1.243
110 HG13 VAL 18 HG13 VAL 18 -3.661 -9.896 -0.210
111 HG21 VAL 18 HG21 VAL 18 -1.296 -10.438 0.679
112 HG22 VAL 18 HG22 VAL 18 -2.077 -11.175 2.078
113 HG23 VAL 18 HG23 VAL 18 -0.870 -9.907 2.306
114 H CYS 19 H CYS 19 -3.118 -6.436 -0.853
115 HA CYS 19 HA CYS 19 -4.551 -4.558 0.796
116 HB2 CYS 19 HB2 CYS 19 -4.345 -4.707 -2.242
117 HB3 CYS 19 HB3 CYS 19 -5.028 -3.393 -1.308
118 H ALA 20 H ALA 20 -6.780 -3.975 0.254
119 HA ALA 20 HA ALA 20 -8.586 -6.098 0.434
120 HB1 ALA 20 HB1 ALA 20 -9.064 -3.850 1.266
121 HB2 ALA 20 HB2 ALA 20 -10.308 -4.364 0.126
122 HB3 ALA 20 HB3 ALA 20 -9.060 -3.232 -0.386
123 H SER 21 H SER 21 -10.207 -6.759 -1.073
124 HA SER 21 HA SER 21 -9.206 -7.449 -3.566
125 HB2 SER 21 HB2 SER 21 -12.087 -7.395 -2.655
126 HB3 SER 21 HB3 SER 21 -11.411 -8.375 -3.958
127 HG SER 21 HG SER 21 -9.907 -8.941 -1.968
128 H GLY 22 H GLY 22 -8.956 -6.257 -5.297
129 HA2 GLY 22 HA2 GLY 22 -9.881 -4.960 -7.065
130 HA3 GLY 22 HA3 GLY 22 -10.940 -4.188 -5.895
131 H THR 23 H THR 23 -8.211 -4.209 -4.226
132 HA THR 23 HA THR 23 -7.376 -1.666 -5.402
133 HB THR 23 HB THR 23 -6.637 -0.946 -3.164
134 HG1 THR 23 HG1 THR 23 -7.263 -3.606 -2.514
135 HG21 THR 23 HG21 THR 23 -9.449 -2.033 -3.133
136 HG22 THR 23 HG22 THR 23 -8.937 -0.474 -3.787
137 HG23 THR 23 HG23 THR 23 -8.815 -0.792 -2.055
138 H THR 24 H THR 24 -5.261 -1.329 -5.829
139 HA THR 24 HA THR 24 -3.573 -3.705 -5.522
140 HB THR 24 HB THR 24 -2.429 -2.896 -7.626
141 HG1 THR 24 HG1 THR 24 -4.539 -1.012 -7.448
142 HG21 THR 24 HG21 THR 24 -4.020 -4.764 -7.665
143 HG22 THR 24 HG22 THR 24 -4.181 -3.792 -9.128
144 HG23 THR 24 HG23 THR 24 -5.359 -3.630 -7.828
145 H CYS 25 H CYS 25 -1.625 -3.473 -4.648
146 HA CYS 25 HA CYS 25 -0.843 -1.091 -3.352
147 HB2 CYS 25 HB2 CYS 25 -0.210 -3.334 -2.539
148 HB3 CYS 25 HB3 CYS 25 0.753 -3.590 -3.989
149 H GLN 26 H GLN 26 -0.175 0.669 -4.421
150 HA GLN 26 HA GLN 26 1.659 0.283 -6.658
151 HB2 GLN 26 HB2 GLN 26 -0.491 2.374 -6.367
152 HB3 GLN 26 HB3 GLN 26 0.720 2.370 -7.641
153 HG2 GLN 26 HG2 GLN 26 -0.106 0.160 -8.376
154 HG3 GLN 26 HG3 GLN 26 -1.366 0.259 -7.154
155 HE21 GLN 26 HE21 GLN 26 -2.982 0.144 -8.679
156 HE22 GLN 26 HE22 GLN 26 -3.322 1.462 -9.752
157 H VAL 27 H VAL 27 3.460 1.423 -6.714
158 HA VAL 27 HA VAL 27 4.342 2.661 -4.291
159 HB VAL 27 HB VAL 27 5.726 2.349 -6.979
160 HG11 VAL 27 HG11 VAL 27 6.786 4.066 -5.637
161 HG12 VAL 27 HG12 VAL 27 7.817 2.646 -5.758
162 HG13 VAL 27 HG13 VAL 27 6.909 2.950 -4.278
163 HG21 VAL 27 HG21 VAL 27 6.858 0.421 -5.994
164 HG22 VAL 27 HG22 VAL 27 5.110 0.187 -6.047
165 HG23 VAL 27 HG23 VAL 27 5.896 0.615 -4.529
166 H LEU 28 H LEU 28 3.509 4.670 -3.952
167 HA LEU 28 HA LEU 28 3.103 6.525 -6.161
168 HB2 LEU 28 HB2 LEU 28 2.810 6.997 -3.186
169 HB3 LEU 28 HB3 LEU 28 2.279 8.077 -4.454
170 HG LEU 28 HG LEU 28 1.102 5.385 -3.783
171 HD11 LEU 28 HD11 LEU 28 0.516 7.135 -2.214
172 HD12 LEU 28 HD12 LEU 28 -0.877 6.706 -3.210
173 HD13 LEU 28 HD13 LEU 28 0.022 8.183 -3.543
174 HD21 LEU 28 HD21 LEU 28 1.022 5.737 -6.183
175 HD22 LEU 28 HD22 LEU 28 0.338 7.347 -5.945
176 HD23 LEU 28 HD23 LEU 28 -0.587 5.912 -5.480
177 H ASN 29 H ASN 29 5.065 6.158 -3.327
178 HA ASN 29 HA ASN 29 7.090 7.976 -4.405
179 HB2 ASN 29 HB2 ASN 29 6.249 7.624 -1.503
180 HB3 ASN 29 HB3 ASN 29 7.608 8.590 -2.068
181 HD21 ASN 29 HD21 ASN 29 5.285 9.295 -0.467
182 HD22 ASN 29 HD22 ASN 29 4.497 10.585 -1.289
183 HA PRO 30 HA PRO 30 9.678 4.426 -3.794
184 HB2 PRO 30 HB2 PRO 30 11.400 5.914 -1.878
185 HB3 PRO 30 HB3 PRO 30 11.858 5.054 -3.350
186 HG2 PRO 30 HG2 PRO 30 11.792 7.698 -3.307
187 HG3 PRO 30 HG3 PRO 30 11.221 6.813 -4.733
188 HD2 PRO 30 HD2 PRO 30 9.653 8.149 -2.565
189 HD3 PRO 30 HD3 PRO 30 9.312 8.088 -4.300
190 H TYR 31 H TYR 31 9.061 6.203 -0.767
191 HA TYR 31 HA TYR 31 9.245 3.649 0.651
192 HB2 TYR 31 HB2 TYR 31 9.035 6.483 1.706
193 HB3 TYR 31 HB3 TYR 31 9.175 5.047 2.702
194 HD1 TYR 31 HD1 TYR 31 10.972 7.035 0.111
195 HD2 TYR 31 HD2 TYR 31 11.306 4.188 3.240
196 HE1 TYR 31 HE1 TYR 31 13.417 7.223 0.012
197 HE2 TYR 31 HE2 TYR 31 13.749 4.360 3.147
198 HH TYR 31 HH TYR 31 15.438 4.990 1.537
199 H TYR 32 H TYR 32 6.901 6.103 -0.289
200 HA TYR 32 HA TYR 32 4.900 4.695 1.262
201 HB2 TYR 32 HB2 TYR 32 4.971 7.219 1.292
202 HB3 TYR 32 HB3 TYR 32 4.406 7.181 -0.376
203 HD1 TYR 32 HD1 TYR 32 2.087 6.819 -0.869
204 HD2 TYR 32 HD2 TYR 32 3.541 6.259 3.086
205 HE1 TYR 32 HE1 TYR 32 -0.227 6.622 -0.044
206 HE2 TYR 32 HE2 TYR 32 1.238 6.052 3.916
207 HH TYR 32 HH TYR 32 -1.368 5.496 1.960
208 H SER 33 H SER 33 3.966 3.024 0.408
209 HA SER 33 HA SER 33 3.132 3.187 -2.390
210 HB2 SER 33 HB2 SER 33 3.769 0.679 -0.793
211 HB3 SER 33 HB3 SER 33 3.341 0.751 -2.505
212 HG SER 33 HG SER 33 5.511 0.717 -2.582
213 H GLN 34 H GLN 34 0.969 2.819 -2.732
214 HA GLN 34 HA GLN 34 -0.658 2.460 -0.304
215 HB2 GLN 34 HB2 GLN 34 -0.543 4.790 -0.780
216 HB3 GLN 34 HB3 GLN 34 -0.900 4.527 -2.479
217 HG2 GLN 34 HG2 GLN 34 -3.171 3.908 -1.923
218 HG3 GLN 34 HG3 GLN 34 -2.805 4.045 -0.199
219 HE21 GLN 34 HE21 GLN 34 -2.727 6.069 0.747
220 HE22 GLN 34 HE22 GLN 34 -3.135 7.505 -0.096
221 H CYS 35 H CYS 35 -2.519 1.260 -0.530
222 HA CYS 35 HA CYS 35 -2.836 -0.279 -2.915
223 HB2 CYS 35 HB2 CYS 35 -4.665 -0.061 -0.511
224 HB3 CYS 35 HB3 CYS 35 -4.693 -1.297 -1.754
225 H LEU 36 H LEU 36 -3.621 0.725 -4.622
226 HA LEU 36 HA LEU 36 -5.822 2.616 -4.350
227 HB2 LEU 36 HB2 LEU 36 -3.949 2.036 -6.653
228 HB3 LEU 36 HB3 LEU 36 -5.299 3.143 -6.734
229 HG LEU 36 HG LEU 36 -2.860 3.473 -4.981
230 HD11 LEU 36 HD11 LEU 36 -2.349 5.340 -6.489
231 HD12 LEU 36 HD12 LEU 36 -3.735 4.898 -7.487
232 HD13 LEU 36 HD13 LEU 36 -2.371 3.796 -7.338
233 HD21 LEU 36 HD21 LEU 36 -3.780 5.706 -4.542
234 HD22 LEU 36 HD22 LEU 36 -4.841 4.436 -3.946
235 HD23 LEU 36 HD23 LEU 36 -5.233 5.280 -5.444
236 H1 MAN 101 H1 MAN 101 10.882 -5.667 7.232
237 H2 MAN 101 H2 MAN 101 9.894 -4.532 9.533
238 H3 MAN 101 H3 MAN 101 11.311 -3.126 10.584
239 H4 MAN 101 H4 MAN 101 12.144 -1.320 9.010
240 H5 MAN 101 H5 MAN 101 11.222 -2.044 6.526
241 H61 MAN 101 H61 MAN 101 13.377 -0.924 7.049
242 H62 MAN 101 H62 MAN 101 13.520 -2.133 5.755
243 HO2 MAN 101 HO2 MAN 101 11.101 -6.496 9.239
244 HO3 MAN 101 HO3 MAN 101 12.976 -4.592 10.161
245 HO4 MAN 101 HO4 MAN 101 10.039 -0.996 8.067
246 HO6 MAN 101 HO6 MAN 101 13.905 -3.207 8.255
Start of MODEL 10
1 H1 THR 1 H1 THR 1 -5.410 -9.079 5.643
2 H2 THR 1 H2 THR 1 -6.048 -7.790 6.545
3 H3 THR 1 H3 THR 1 -4.395 -7.845 6.215
4 HA THR 1 HA THR 1 -4.870 -7.634 3.872
5 HB THR 1 HB THR 1 -7.724 -7.231 4.792
6 HG1 THR 1 HG1 THR 1 -7.786 -9.377 3.489
7 HG21 THR 1 HG21 THR 1 -7.085 -6.131 2.680
8 HG22 THR 1 HG22 THR 1 -8.216 -7.454 2.400
9 HG23 THR 1 HG23 THR 1 -6.499 -7.672 2.059
10 H GLN 2 H GLN 2 -4.162 -5.633 3.424
11 HA GLN 2 HA GLN 2 -4.676 -3.519 5.349
12 HB2 GLN 2 HB2 GLN 2 -2.350 -4.276 4.326
13 HB3 GLN 2 HB3 GLN 2 -2.828 -3.281 2.966
14 HG2 GLN 2 HG2 GLN 2 -2.674 -2.285 5.805
15 HG3 GLN 2 HG3 GLN 2 -1.327 -2.169 4.690
16 HE21 GLN 2 HE21 GLN 2 -3.014 -1.549 2.406
17 HE22 GLN 2 HE22 GLN 2 -3.620 0.033 2.656
18 H SER 3 H SER 3 -5.799 -1.624 4.763
19 HA SER 3 HA SER 3 -7.710 -2.146 2.693
20 HB2 SER 3 HB2 SER 3 -8.852 -0.182 3.862
21 HB3 SER 3 HB3 SER 3 -8.669 -1.704 4.738
22 HG SER 3 HG SER 3 -7.224 0.698 5.025
23 H HIS 4 H HIS 4 -8.716 -0.282 1.611
24 HA HIS 4 HA HIS 4 -7.068 0.931 -0.292
25 HB2 HIS 4 HB2 HIS 4 -9.510 0.403 -0.536
26 HB3 HIS 4 HB3 HIS 4 -9.861 1.702 0.574
27 HD1 HIS 4 HD1 HIS 4 -11.023 3.345 -0.857
28 HD2 HIS 4 HD2 HIS 4 -7.561 1.932 -2.625
29 HE1 HIS 4 HE1 HIS 4 -10.770 4.658 -2.980
30 HE2 HIS 4 HE2 HIS 4 -8.917 3.504 -4.175
31 H TYR 5 H TYR 5 -5.993 2.797 -0.332
32 HA TYR 5 HA TYR 5 -5.138 4.770 0.151
33 HB2 TYR 5 HB2 TYR 5 -7.548 5.100 1.897
34 HB3 TYR 5 HB3 TYR 5 -6.242 6.276 1.978
35 HD1 TYR 5 HD1 TYR 5 -5.511 7.182 -0.422
36 HD2 TYR 5 HD2 TYR 5 -9.305 5.522 0.495
37 HE1 TYR 5 HE1 TYR 5 -6.484 8.389 -2.328
38 HE2 TYR 5 HE2 TYR 5 -10.290 6.717 -1.413
39 HH TYR 5 HH TYR 5 -8.411 8.195 -3.814
40 H GLY 6 H GLY 6 -4.924 2.236 1.943
41 HA2 GLY 6 HA2 GLY 6 -3.339 3.512 4.039
42 HA3 GLY 6 HA3 GLY 6 -3.776 1.807 3.955
43 H GLN 7 H GLN 7 -1.157 2.742 4.409
44 HA GLN 7 HA GLN 7 0.315 2.605 1.963
45 HB2 GLN 7 HB2 GLN 7 1.115 3.939 3.900
46 HB3 GLN 7 HB3 GLN 7 1.245 2.472 4.848
47 HG2 GLN 7 HG2 GLN 7 3.006 1.650 3.381
48 HG3 GLN 7 HG3 GLN 7 2.856 3.092 2.380
49 HE21 GLN 7 HE21 GLN 7 5.062 3.696 2.780
50 HE22 GLN 7 HE22 GLN 7 5.532 4.294 4.303
51 H CYS 8 H CYS 8 0.597 0.775 0.951
52 HA CYS 8 HA CYS 8 -0.049 -1.736 2.215
53 HB2 CYS 8 HB2 CYS 8 0.291 -2.667 -0.065
54 HB3 CYS 8 HB3 CYS 8 -0.922 -1.398 0.048
55 H GLY 9 H GLY 9 2.835 -0.069 1.394
56 HA2 GLY 9 HA2 GLY 9 4.643 -1.224 2.815
57 HA3 GLY 9 HA3 GLY 9 4.296 -2.595 1.770
58 H GLY 10 H GLY 10 5.586 0.578 2.026
59 HA2 GLY 10 HA2 GLY 10 7.013 0.167 -0.491
60 HA3 GLY 10 HA3 GLY 10 6.859 1.708 0.364
61 H ILE 11 H ILE 11 9.289 1.590 0.144
62 HA ILE 11 HA ILE 11 10.690 -0.248 1.757
63 HB ILE 11 HB ILE 11 11.537 2.562 0.954
64 HG12 ILE 11 HG12 ILE 11 12.150 -0.100 -0.361
65 HG13 ILE 11 HG13 ILE 11 10.966 1.053 -0.949
66 HG21 ILE 11 HG21 ILE 11 13.180 0.203 1.915
67 HG22 ILE 11 HG22 ILE 11 12.868 1.688 2.817
68 HG23 ILE 11 HG23 ILE 11 13.833 1.740 1.344
69 HD11 ILE 11 HD11 ILE 11 12.731 2.676 -1.342
70 HD12 ILE 11 HD12 ILE 11 13.049 1.164 -2.195
71 HD13 ILE 11 HD13 ILE 11 13.918 1.541 -0.706
72 H GLY 12 H GLY 12 10.582 -0.456 3.842
73 HA2 GLY 12 HA2 GLY 12 11.097 0.524 6.009
74 HA3 GLY 12 HA3 GLY 12 10.168 1.934 5.517
75 H TYR 13 H TYR 13 8.124 0.135 4.235
76 HA TYR 13 HA TYR 13 6.768 -0.515 6.751
77 HB2 TYR 13 HB2 TYR 13 5.637 1.219 5.379
78 HB3 TYR 13 HB3 TYR 13 5.500 0.077 4.058
79 HD1 TYR 13 HD1 TYR 13 4.051 1.258 7.144
80 HD2 TYR 13 HD2 TYR 13 3.985 -1.997 4.401
81 HE1 TYR 13 HE1 TYR 13 1.884 0.512 8.056
82 HE2 TYR 13 HE2 TYR 13 1.848 -2.732 5.290
83 HH TYR 13 HH TYR 13 0.467 -2.514 7.174
84 H SER 14 H SER 14 6.739 -2.537 7.180
85 HA SER 14 HA SER 14 6.368 -4.496 5.050
86 HB2 SER 14 HB2 SER 14 8.286 -4.578 7.411
87 HB3 SER 14 HB3 SER 14 7.735 -6.056 6.633
88 H GLY 15 H GLY 15 5.314 -6.527 5.933
89 HA2 GLY 15 HA2 GLY 15 4.085 -7.460 7.813
90 HA3 GLY 15 HA3 GLY 15 3.587 -5.814 8.192
91 HA PRO 16 HA PRO 16 -0.069 -7.021 5.878
92 HB2 PRO 16 HB2 PRO 16 -0.847 -4.187 6.236
93 HB3 PRO 16 HB3 PRO 16 -1.707 -5.645 6.741
94 HG2 PRO 16 HG2 PRO 16 -0.514 -4.092 8.537
95 HG3 PRO 16 HG3 PRO 16 -0.465 -5.857 8.692
96 HD2 PRO 16 HD2 PRO 16 1.609 -3.997 7.597
97 HD3 PRO 16 HD3 PRO 16 1.809 -5.323 8.785
98 H THR 17 H THR 17 0.770 -7.268 3.877
99 HA THR 17 HA THR 17 1.259 -4.873 2.273
100 HB THR 17 HB THR 17 2.590 -6.549 0.849
101 HG1 THR 17 HG1 THR 17 2.677 -7.988 3.282
102 HG21 THR 17 HG21 THR 17 3.505 -5.925 3.671
103 HG22 THR 17 HG22 THR 17 3.642 -4.838 2.298
104 HG23 THR 17 HG23 THR 17 4.564 -6.345 2.324
105 H VAL 18 H VAL 18 -0.719 -7.623 2.627
106 HA VAL 18 HA VAL 18 -1.567 -7.775 -0.117
107 HB VAL 18 HB VAL 18 -2.750 -9.039 2.381
108 HG11 VAL 18 HG11 VAL 18 -3.284 -9.647 -0.521
109 HG12 VAL 18 HG12 VAL 18 -4.404 -8.876 0.597
110 HG13 VAL 18 HG13 VAL 18 -3.923 -10.558 0.848
111 HG21 VAL 18 HG21 VAL 18 -1.645 -11.093 1.634
112 HG22 VAL 18 HG22 VAL 18 -0.467 -9.808 1.923
113 HG23 VAL 18 HG23 VAL 18 -0.938 -10.223 0.274
114 H CYS 19 H CYS 19 -2.825 -6.254 -0.939
115 HA CYS 19 HA CYS 19 -4.480 -4.603 0.754
116 HB2 CYS 19 HB2 CYS 19 -4.198 -4.574 -2.279
117 HB3 CYS 19 HB3 CYS 19 -5.003 -3.360 -1.290
118 H ALA 20 H ALA 20 -6.774 -4.231 0.099
119 HA ALA 20 HA ALA 20 -8.193 -6.677 0.137
120 HB1 ALA 20 HB1 ALA 20 -9.177 -3.870 -0.323
121 HB2 ALA 20 HB2 ALA 20 -9.018 -4.666 1.241
122 HB3 ALA 20 HB3 ALA 20 -10.187 -5.263 0.060
123 H SER 21 H SER 21 -9.737 -7.435 -1.467
124 HA SER 21 HA SER 21 -8.743 -7.447 -4.056
125 HB2 SER 21 HB2 SER 21 -11.100 -8.492 -4.433
126 HB3 SER 21 HB3 SER 21 -9.940 -9.338 -3.404
127 HG SER 21 HG SER 21 -12.015 -9.175 -2.469
128 H GLY 22 H GLY 22 -8.922 -5.976 -5.584
129 HA2 GLY 22 HA2 GLY 22 -10.325 -4.590 -6.960
130 HA3 GLY 22 HA3 GLY 22 -11.203 -4.130 -5.505
131 H THR 23 H THR 23 -8.182 -4.211 -4.446
132 HA THR 23 HA THR 23 -7.559 -1.500 -5.370
133 HB THR 23 HB THR 23 -6.613 -0.983 -3.126
134 HG1 THR 23 HG1 THR 23 -7.377 -3.636 -2.634
135 HG21 THR 23 HG21 THR 23 -8.911 -0.323 -3.574
136 HG22 THR 23 HG22 THR 23 -8.715 -0.803 -1.886
137 HG23 THR 23 HG23 THR 23 -9.484 -1.901 -3.031
138 H THR 24 H THR 24 -5.311 -1.071 -5.623
139 HA THR 24 HA THR 24 -3.712 -3.526 -5.591
140 HB THR 24 HB THR 24 -2.503 -2.535 -7.558
141 HG1 THR 24 HG1 THR 24 -4.419 -0.541 -7.114
142 HG21 THR 24 HG21 THR 24 -4.184 -4.289 -7.837
143 HG22 THR 24 HG22 THR 24 -4.231 -3.147 -9.185
144 HG23 THR 24 HG23 THR 24 -5.442 -3.060 -7.905
145 H CYS 25 H CYS 25 -1.768 -3.410 -4.663
146 HA CYS 25 HA CYS 25 -0.993 -1.087 -3.236
147 HB2 CYS 25 HB2 CYS 25 -0.331 -3.337 -2.474
148 HB3 CYS 25 HB3 CYS 25 0.602 -3.567 -3.951
149 H GLN 26 H GLN 26 -0.538 0.668 -4.400
150 HA GLN 26 HA GLN 26 1.193 0.324 -6.703
151 HB2 GLN 26 HB2 GLN 26 -0.922 2.401 -6.150
152 HB3 GLN 26 HB3 GLN 26 0.274 2.578 -7.430
153 HG2 GLN 26 HG2 GLN 26 -0.513 0.509 -8.468
154 HG3 GLN 26 HG3 GLN 26 -1.704 0.318 -7.186
155 HE21 GLN 26 HE21 GLN 26 -3.569 1.509 -7.268
156 HE22 GLN 26 HE22 GLN 26 -4.030 2.486 -8.591
157 H VAL 27 H VAL 27 3.037 1.234 -6.788
158 HA VAL 27 HA VAL 27 4.124 2.475 -4.429
159 HB VAL 27 HB VAL 27 5.418 1.865 -7.110
160 HG11 VAL 27 HG11 VAL 27 7.556 2.040 -5.911
161 HG12 VAL 27 HG12 VAL 27 6.683 2.537 -4.460
162 HG13 VAL 27 HG13 VAL 27 6.657 3.559 -5.898
163 HG21 VAL 27 HG21 VAL 27 5.457 0.273 -4.547
164 HG22 VAL 27 HG22 VAL 27 6.381 -0.104 -6.002
165 HG23 VAL 27 HG23 VAL 27 4.619 -0.167 -6.034
166 H LEU 28 H LEU 28 3.782 4.558 -4.150
167 HA LEU 28 HA LEU 28 3.472 6.301 -6.483
168 HB2 LEU 28 HB2 LEU 28 2.835 6.761 -3.575
169 HB3 LEU 28 HB3 LEU 28 2.520 7.915 -4.856
170 HG LEU 28 HG LEU 28 1.232 5.187 -4.608
171 HD11 LEU 28 HD11 LEU 28 0.464 6.669 -2.874
172 HD12 LEU 28 HD12 LEU 28 -0.806 6.440 -4.072
173 HD13 LEU 28 HD13 LEU 28 0.134 7.936 -4.055
174 HD21 LEU 28 HD21 LEU 28 -0.259 5.983 -6.388
175 HD22 LEU 28 HD22 LEU 28 1.420 5.908 -6.928
176 HD23 LEU 28 HD23 LEU 28 0.694 7.461 -6.510
177 H ASN 29 H ASN 29 5.466 5.667 -3.728
178 HA ASN 29 HA ASN 29 7.566 7.365 -4.783
179 HB2 ASN 29 HB2 ASN 29 6.661 7.463 -1.854
180 HB3 ASN 29 HB3 ASN 29 8.133 8.155 -2.477
181 HD21 ASN 29 HD21 ASN 29 4.699 8.510 -2.277
182 HD22 ASN 29 HD22 ASN 29 4.639 10.131 -2.854
183 HA PRO 30 HA PRO 30 9.937 3.769 -3.749
184 HB2 PRO 30 HB2 PRO 30 11.629 5.348 -1.864
185 HB3 PRO 30 HB3 PRO 30 12.127 4.297 -3.195
186 HG2 PRO 30 HG2 PRO 30 12.230 6.926 -3.480
187 HG3 PRO 30 HG3 PRO 30 11.649 5.908 -4.812
188 HD2 PRO 30 HD2 PRO 30 10.094 7.585 -2.884
189 HD3 PRO 30 HD3 PRO 30 9.822 7.340 -4.621
190 H TYR 31 H TYR 31 9.248 5.790 -0.935
191 HA TYR 31 HA TYR 31 9.172 3.379 0.747
192 HB2 TYR 31 HB2 TYR 31 8.901 6.266 1.603
193 HB3 TYR 31 HB3 TYR 31 9.203 4.875 2.626
194 HD1 TYR 31 HD1 TYR 31 11.441 4.044 2.947
195 HD2 TYR 31 HD2 TYR 31 10.691 7.135 0.130
196 HE1 TYR 31 HE1 TYR 31 13.857 4.489 2.790
197 HE2 TYR 31 HE2 TYR 31 13.091 7.582 -0.039
198 HH TYR 31 HH TYR 31 15.400 5.474 1.076
199 H TYR 32 H TYR 32 7.144 5.833 -0.674
200 HA TYR 32 HA TYR 32 4.905 4.995 0.976
201 HB2 TYR 32 HB2 TYR 32 5.342 7.444 0.613
202 HB3 TYR 32 HB3 TYR 32 4.928 7.186 -1.077
203 HD1 TYR 32 HD1 TYR 32 3.516 6.672 2.324
204 HD2 TYR 32 HD2 TYR 32 2.753 7.513 -1.774
205 HE1 TYR 32 HE1 TYR 32 1.148 7.071 2.843
206 HE2 TYR 32 HE2 TYR 32 0.386 7.901 -1.255
207 HH TYR 32 HH TYR 32 -1.209 7.326 0.419
208 H SER 33 H SER 33 3.788 3.338 0.317
209 HA SER 33 HA SER 33 2.989 3.208 -2.483
210 HB2 SER 33 HB2 SER 33 3.691 0.837 -0.709
211 HB3 SER 33 HB3 SER 33 3.211 0.770 -2.405
212 HG SER 33 HG SER 33 5.424 0.664 -2.389
213 H GLN 34 H GLN 34 0.803 2.867 -2.653
214 HA GLN 34 HA GLN 34 -0.663 2.473 -0.137
215 HB2 GLN 34 HB2 GLN 34 -0.622 4.825 -0.412
216 HB3 GLN 34 HB3 GLN 34 -0.969 4.741 -2.120
217 HG2 GLN 34 HG2 GLN 34 -3.246 3.989 -1.605
218 HG3 GLN 34 HG3 GLN 34 -2.868 4.051 0.115
219 HE21 GLN 34 HE21 GLN 34 -2.825 6.022 1.152
220 HE22 GLN 34 HE22 GLN 34 -3.346 7.474 0.391
221 H CYS 35 H CYS 35 -2.605 1.322 -0.291
222 HA CYS 35 HA CYS 35 -3.031 -0.156 -2.689
223 HB2 CYS 35 HB2 CYS 35 -4.849 -0.004 -0.258
224 HB3 CYS 35 HB3 CYS 35 -4.842 -1.195 -1.530
225 H LEU 36 H LEU 36 -3.767 0.941 -4.324
226 HA LEU 36 HA LEU 36 -6.138 2.599 -3.991
227 HB2 LEU 36 HB2 LEU 36 -3.897 2.775 -5.999
228 HB3 LEU 36 HB3 LEU 36 -5.419 3.617 -6.192
229 HG LEU 36 HG LEU 36 -3.484 4.048 -3.910
230 HD11 LEU 36 HD11 LEU 36 -3.001 6.174 -5.014
231 HD12 LEU 36 HD12 LEU 36 -4.047 5.719 -6.358
232 HD13 LEU 36 HD13 LEU 36 -2.568 4.812 -6.047
233 HD21 LEU 36 HD21 LEU 36 -6.002 5.493 -4.732
234 HD22 LEU 36 HD22 LEU 36 -4.891 6.020 -3.473
235 HD23 LEU 36 HD23 LEU 36 -5.789 4.520 -3.275
236 H1 MAN 101 H1 MAN 101 8.269 -3.098 4.777
237 H2 MAN 101 H2 MAN 101 9.777 -4.206 3.130
238 H3 MAN 101 H3 MAN 101 11.628 -4.827 4.557
239 H4 MAN 101 H4 MAN 101 11.958 -1.821 5.003
240 H5 MAN 101 H5 MAN 101 11.059 -4.061 6.915
241 H61 MAN 101 H61 MAN 101 11.647 -1.099 7.265
242 H62 MAN 101 H62 MAN 101 12.351 -2.446 8.181
243 HO2 MAN 101 HO2 MAN 101 9.144 -1.982 3.068
244 HO3 MAN 101 HO3 MAN 101 13.304 -3.858 3.345
245 HO4 MAN 101 HO4 MAN 101 13.948 -2.993 4.979
246 HO6 MAN 101 HO6 MAN 101 9.737 -1.370 8.257
Start of MODEL 11
1 H1 THR 1 H1 THR 1 -4.647 -8.006 5.795
2 H2 THR 1 H2 THR 1 -5.912 -9.118 5.504
3 H3 THR 1 H3 THR 1 -6.176 -7.745 6.458
4 HA THR 1 HA THR 1 -5.503 -7.687 3.625
5 HB THR 1 HB THR 1 -8.161 -7.260 5.029
6 HG1 THR 1 HG1 THR 1 -7.450 -9.321 3.202
7 HG21 THR 1 HG21 THR 1 -7.885 -5.872 3.043
8 HG22 THR 1 HG22 THR 1 -9.055 -7.160 2.730
9 HG23 THR 1 HG23 THR 1 -7.404 -7.290 2.113
10 H GLN 2 H GLN 2 -4.590 -5.771 3.178
11 HA GLN 2 HA GLN 2 -4.684 -3.648 5.127
12 HB2 GLN 2 HB2 GLN 2 -2.723 -4.548 3.507
13 HB3 GLN 2 HB3 GLN 2 -3.402 -3.324 2.451
14 HG2 GLN 2 HG2 GLN 2 -2.280 -2.869 5.219
15 HG3 GLN 2 HG3 GLN 2 -1.493 -2.467 3.700
16 HE21 GLN 2 HE21 GLN 2 -2.396 -0.837 2.462
17 HE22 GLN 2 HE22 GLN 2 -3.388 0.388 3.167
18 H SER 3 H SER 3 -5.478 -1.553 4.619
19 HA SER 3 HA SER 3 -7.924 -1.697 3.096
20 HB2 SER 3 HB2 SER 3 -6.892 0.368 5.017
21 HB3 SER 3 HB3 SER 3 -8.542 0.266 4.384
22 HG SER 3 HG SER 3 -8.902 -1.490 5.540
23 H HIS 4 H HIS 4 -8.630 0.045 1.811
24 HA HIS 4 HA HIS 4 -6.929 0.945 -0.234
25 HB2 HIS 4 HB2 HIS 4 -9.392 0.608 -0.418
26 HB3 HIS 4 HB3 HIS 4 -9.638 1.980 0.642
27 HD1 HIS 4 HD1 HIS 4 -10.395 3.928 -0.629
28 HD2 HIS 4 HD2 HIS 4 -7.741 1.632 -2.836
29 HE1 HIS 4 HE1 HIS 4 -10.312 4.992 -2.895
30 HE2 HIS 4 HE2 HIS 4 -8.990 3.359 -4.269
31 H TYR 5 H TYR 5 -5.726 2.758 -0.427
32 HA TYR 5 HA TYR 5 -4.711 4.652 -0.031
33 HB2 TYR 5 HB2 TYR 5 -7.294 5.312 1.239
34 HB3 TYR 5 HB3 TYR 5 -5.930 6.351 1.671
35 HD1 TYR 5 HD1 TYR 5 -7.387 4.777 -1.377
36 HD2 TYR 5 HD2 TYR 5 -5.622 8.230 0.343
37 HE1 TYR 5 HE1 TYR 5 -7.628 5.945 -3.504
38 HE2 TYR 5 HE2 TYR 5 -5.858 9.422 -1.798
39 HH TYR 5 HH TYR 5 -6.091 8.899 -4.186
40 H GLY 6 H GLY 6 -4.685 2.345 2.013
41 HA2 GLY 6 HA2 GLY 6 -3.086 3.769 3.998
42 HA3 GLY 6 HA3 GLY 6 -3.547 2.067 4.075
43 H GLN 7 H GLN 7 -0.914 2.844 4.502
44 HA GLN 7 HA GLN 7 0.566 2.511 2.062
45 HB2 GLN 7 HB2 GLN 7 1.460 3.901 3.926
46 HB3 GLN 7 HB3 GLN 7 1.539 2.471 4.940
47 HG2 GLN 7 HG2 GLN 7 3.220 1.495 3.456
48 HG3 GLN 7 HG3 GLN 7 3.131 2.899 2.400
49 HE21 GLN 7 HE21 GLN 7 5.392 3.435 2.714
50 HE22 GLN 7 HE22 GLN 7 5.934 4.033 4.211
51 H CYS 8 H CYS 8 0.664 0.652 1.126
52 HA CYS 8 HA CYS 8 0.056 -1.785 2.535
53 HB2 CYS 8 HB2 CYS 8 0.312 -2.803 0.243
54 HB3 CYS 8 HB3 CYS 8 -0.946 -1.583 0.423
55 H GLY 9 H GLY 9 2.923 -0.353 1.092
56 HA2 GLY 9 HA2 GLY 9 4.737 -1.659 2.641
57 HA3 GLY 9 HA3 GLY 9 4.388 -2.805 1.357
58 H GLY 10 H GLY 10 5.619 0.349 2.099
59 HA2 GLY 10 HA2 GLY 10 7.096 0.283 -0.435
60 HA3 GLY 10 HA3 GLY 10 6.730 1.758 0.477
61 H ILE 11 H ILE 11 9.253 1.723 0.140
62 HA ILE 11 HA ILE 11 10.766 0.057 1.831
63 HB ILE 11 HB ILE 11 11.416 2.898 0.934
64 HG12 ILE 11 HG12 ILE 11 12.193 0.255 -0.320
65 HG13 ILE 11 HG13 ILE 11 10.924 1.311 -0.926
66 HG21 ILE 11 HG21 ILE 11 12.817 2.146 2.799
67 HG22 ILE 11 HG22 ILE 11 13.760 2.252 1.310
68 HG23 ILE 11 HG23 ILE 11 13.230 0.681 1.909
69 HD11 ILE 11 HD11 ILE 11 12.578 3.050 -1.362
70 HD12 ILE 11 HD12 ILE 11 12.980 1.553 -2.206
71 HD13 ILE 11 HD13 ILE 11 13.847 2.000 -0.737
72 H GLY 12 H GLY 12 10.888 0.004 3.982
73 HA2 GLY 12 HA2 GLY 12 11.102 1.085 6.095
74 HA3 GLY 12 HA3 GLY 12 10.121 2.412 5.483
75 H TYR 13 H TYR 13 8.541 -0.136 4.308
76 HA TYR 13 HA TYR 13 6.999 -0.598 6.771
77 HB2 TYR 13 HB2 TYR 13 5.855 0.946 5.135
78 HB3 TYR 13 HB3 TYR 13 5.875 -0.361 3.964
79 HD1 TYR 13 HD1 TYR 13 4.504 -2.494 4.520
80 HD2 TYR 13 HD2 TYR 13 4.131 1.133 6.708
81 HE1 TYR 13 HE1 TYR 13 2.309 -3.227 5.353
82 HE2 TYR 13 HE2 TYR 13 1.947 0.402 7.553
83 HH TYR 13 HH TYR 13 0.153 -1.136 6.709
84 H SER 14 H SER 14 6.530 -2.662 7.181
85 HA SER 14 HA SER 14 6.585 -4.705 5.169
86 HB2 SER 14 HB2 SER 14 8.490 -4.656 7.522
87 HB3 SER 14 HB3 SER 14 8.104 -6.129 6.638
88 H GLY 15 H GLY 15 4.559 -5.291 5.493
89 HA2 GLY 15 HA2 GLY 15 3.812 -6.623 7.870
90 HA3 GLY 15 HA3 GLY 15 3.053 -5.031 7.737
91 HA PRO 16 HA PRO 16 0.153 -7.604 5.391
92 HB2 PRO 16 HB2 PRO 16 -1.569 -5.233 5.649
93 HB3 PRO 16 HB3 PRO 16 -1.882 -6.887 6.179
94 HG2 PRO 16 HG2 PRO 16 -1.401 -4.907 7.930
95 HG3 PRO 16 HG3 PRO 16 -0.847 -6.566 8.213
96 HD2 PRO 16 HD2 PRO 16 0.701 -4.195 7.230
97 HD3 PRO 16 HD3 PRO 16 1.163 -5.441 8.411
98 H THR 17 H THR 17 1.163 -7.501 3.410
99 HA THR 17 HA THR 17 1.103 -5.008 1.964
100 HB THR 17 HB THR 17 2.371 -6.395 0.241
101 HG1 THR 17 HG1 THR 17 3.112 -8.176 2.209
102 HG21 THR 17 HG21 THR 17 3.534 -6.095 3.019
103 HG22 THR 17 HG22 THR 17 3.503 -4.847 1.770
104 HG23 THR 17 HG23 THR 17 4.467 -6.305 1.539
105 H VAL 18 H VAL 18 -0.711 -7.839 2.268
106 HA VAL 18 HA VAL 18 -1.838 -7.881 -0.376
107 HB VAL 18 HB VAL 18 -2.970 -9.138 2.142
108 HG11 VAL 18 HG11 VAL 18 -4.136 -10.655 0.594
109 HG12 VAL 18 HG12 VAL 18 -3.496 -9.739 -0.769
110 HG13 VAL 18 HG13 VAL 18 -4.609 -8.971 0.360
111 HG21 VAL 18 HG21 VAL 18 -1.141 -10.351 0.068
112 HG22 VAL 18 HG22 VAL 18 -1.885 -11.218 1.409
113 HG23 VAL 18 HG23 VAL 18 -0.699 -9.950 1.727
114 H CYS 19 H CYS 19 -3.032 -6.251 -1.038
115 HA CYS 19 HA CYS 19 -4.582 -4.652 0.810
116 HB2 CYS 19 HB2 CYS 19 -4.293 -4.439 -2.198
117 HB3 CYS 19 HB3 CYS 19 -5.078 -3.264 -1.150
118 H ALA 20 H ALA 20 -6.848 -4.224 0.444
119 HA ALA 20 HA ALA 20 -8.475 -6.451 0.297
120 HB1 ALA 20 HB1 ALA 20 -9.115 -4.335 1.357
121 HB2 ALA 20 HB2 ALA 20 -10.343 -4.894 0.219
122 HB3 ALA 20 HB3 ALA 20 -9.255 -3.584 -0.235
123 H SER 21 H SER 21 -10.028 -7.093 -1.221
124 HA SER 21 HA SER 21 -9.033 -7.441 -3.797
125 HB2 SER 21 HB2 SER 21 -11.842 -7.834 -2.768
126 HB3 SER 21 HB3 SER 21 -11.197 -8.483 -4.280
127 HG SER 21 HG SER 21 -9.961 -9.009 -1.790
128 H GLY 22 H GLY 22 -8.835 -6.001 -5.308
129 HA2 GLY 22 HA2 GLY 22 -9.993 -4.713 -7.005
130 HA3 GLY 22 HA3 GLY 22 -11.010 -4.075 -5.714
131 H THR 23 H THR 23 -8.290 -4.121 -4.143
132 HA THR 23 HA THR 23 -7.433 -1.547 -5.240
133 HB THR 23 HB THR 23 -6.690 -0.895 -2.975
134 HG1 THR 23 HG1 THR 23 -7.361 -3.552 -2.409
135 HG21 THR 23 HG21 THR 23 -9.528 -1.904 -3.003
136 HG22 THR 23 HG22 THR 23 -8.973 -0.331 -3.583
137 HG23 THR 23 HG23 THR 23 -8.877 -0.725 -1.867
138 H THR 24 H THR 24 -5.301 -1.271 -5.637
139 HA THR 24 HA THR 24 -3.708 -3.705 -5.357
140 HB THR 24 HB THR 24 -2.496 -2.878 -7.426
141 HG1 THR 24 HG1 THR 24 -4.511 -0.942 -7.191
142 HG21 THR 24 HG21 THR 24 -4.229 -3.751 -8.964
143 HG22 THR 24 HG22 THR 24 -5.430 -3.590 -7.683
144 HG23 THR 24 HG23 THR 24 -4.099 -4.733 -7.506
145 H CYS 25 H CYS 25 -1.701 -3.538 -4.564
146 HA CYS 25 HA CYS 25 -0.956 -1.167 -3.180
147 HB2 CYS 25 HB2 CYS 25 -0.378 -3.424 -2.328
148 HB3 CYS 25 HB3 CYS 25 0.645 -3.687 -3.737
149 H GLN 26 H GLN 26 -0.377 0.535 -4.344
150 HA GLN 26 HA GLN 26 1.458 0.070 -6.568
151 HB2 GLN 26 HB2 GLN 26 -0.477 2.350 -6.157
152 HB3 GLN 26 HB3 GLN 26 0.649 2.204 -7.493
153 HG2 GLN 26 HG2 GLN 26 -0.494 0.085 -8.136
154 HG3 GLN 26 HG3 GLN 26 -1.690 0.417 -6.888
155 HE21 GLN 26 HE21 GLN 26 -3.336 0.535 -8.381
156 HE22 GLN 26 HE22 GLN 26 -3.534 1.875 -9.441
157 H VAL 27 H VAL 27 3.387 0.787 -6.357
158 HA VAL 27 HA VAL 27 4.231 2.265 -4.091
159 HB VAL 27 HB VAL 27 5.690 1.614 -6.687
160 HG11 VAL 27 HG11 VAL 27 7.752 2.004 -5.434
161 HG12 VAL 27 HG12 VAL 27 6.808 2.471 -4.019
162 HG13 VAL 27 HG13 VAL 27 6.754 3.460 -5.476
163 HG21 VAL 27 HG21 VAL 27 5.738 0.202 -4.028
164 HG22 VAL 27 HG22 VAL 27 6.675 -0.245 -5.458
165 HG23 VAL 27 HG23 VAL 27 4.915 -0.362 -5.476
166 H LEU 28 H LEU 28 3.541 4.267 -3.936
167 HA LEU 28 HA LEU 28 2.939 5.888 -6.260
168 HB2 LEU 28 HB2 LEU 28 1.637 5.680 -3.974
169 HB3 LEU 28 HB3 LEU 28 2.862 6.758 -3.382
170 HG LEU 28 HG LEU 28 1.039 7.494 -5.675
171 HD11 LEU 28 HD11 LEU 28 -0.303 7.050 -3.696
172 HD12 LEU 28 HD12 LEU 28 -0.243 8.779 -4.039
173 HD13 LEU 28 HD13 LEU 28 0.739 8.105 -2.740
174 HD21 LEU 28 HD21 LEU 28 3.108 8.803 -5.498
175 HD22 LEU 28 HD22 LEU 28 2.723 9.191 -3.823
176 HD23 LEU 28 HD23 LEU 28 1.688 9.775 -5.127
177 H ASN 29 H ASN 29 5.091 5.818 -3.515
178 HA ASN 29 HA ASN 29 7.030 7.558 -4.848
179 HB2 ASN 29 HB2 ASN 29 6.246 7.621 -1.899
180 HB3 ASN 29 HB3 ASN 29 7.568 8.516 -2.620
181 HD21 ASN 29 HD21 ASN 29 5.244 9.412 -1.115
182 HD22 ASN 29 HD22 ASN 29 4.452 10.559 -2.128
183 HA PRO 30 HA PRO 30 9.871 4.287 -3.852
184 HB2 PRO 30 HB2 PRO 30 11.354 6.138 -2.032
185 HB3 PRO 30 HB3 PRO 30 11.984 5.086 -3.303
186 HG2 PRO 30 HG2 PRO 30 11.764 7.651 -3.798
187 HG3 PRO 30 HG3 PRO 30 11.200 6.490 -5.012
188 HD2 PRO 30 HD2 PRO 30 9.598 8.101 -3.064
189 HD3 PRO 30 HD3 PRO 30 9.271 7.774 -4.779
190 H TYR 31 H TYR 31 9.101 6.184 -0.897
191 HA TYR 31 HA TYR 31 9.356 3.682 0.620
192 HB2 TYR 31 HB2 TYR 31 8.794 6.444 1.740
193 HB3 TYR 31 HB3 TYR 31 9.317 5.019 2.604
194 HD1 TYR 31 HD1 TYR 31 11.676 4.348 2.602
195 HD2 TYR 31 HD2 TYR 31 10.377 7.784 0.466
196 HE1 TYR 31 HE1 TYR 31 14.010 5.122 2.411
197 HE2 TYR 31 HE2 TYR 31 12.682 8.552 0.267
198 HH TYR 31 HH TYR 31 14.754 8.296 1.257
199 H TYR 32 H TYR 32 7.035 5.955 -0.581
200 HA TYR 32 HA TYR 32 4.945 4.849 1.112
201 HB2 TYR 32 HB2 TYR 32 5.214 7.346 0.760
202 HB3 TYR 32 HB3 TYR 32 4.653 7.058 -0.885
203 HD1 TYR 32 HD1 TYR 32 2.420 7.213 -1.361
204 HD2 TYR 32 HD2 TYR 32 3.615 6.447 2.644
205 HE1 TYR 32 HE1 TYR 32 0.103 7.433 -0.635
206 HE2 TYR 32 HE2 TYR 32 1.283 6.677 3.390
207 HH TYR 32 HH TYR 32 -1.279 7.018 1.042
208 H SER 33 H SER 33 3.966 3.077 0.424
209 HA SER 33 HA SER 33 3.106 2.994 -2.376
210 HB2 SER 33 HB2 SER 33 3.638 0.646 -0.526
211 HB3 SER 33 HB3 SER 33 3.124 0.540 -2.209
212 HG SER 33 HG SER 33 5.435 0.283 -1.750
213 H GLN 34 H GLN 34 0.912 2.575 -2.660
214 HA GLN 34 HA GLN 34 -0.667 2.473 -0.197
215 HB2 GLN 34 HB2 GLN 34 -0.472 4.796 -0.695
216 HB3 GLN 34 HB3 GLN 34 -0.807 4.532 -2.392
217 HG2 GLN 34 HG2 GLN 34 -3.102 4.022 -1.904
218 HG3 GLN 34 HG3 GLN 34 -2.766 4.094 -0.171
219 HE21 GLN 34 HE21 GLN 34 -2.718 6.049 0.846
220 HE22 GLN 34 HE22 GLN 34 -3.012 7.542 0.010
221 H CYS 35 H CYS 35 -2.592 1.345 -0.358
222 HA CYS 35 HA CYS 35 -3.001 -0.256 -2.674
223 HB2 CYS 35 HB2 CYS 35 -4.849 0.129 -0.310
224 HB3 CYS 35 HB3 CYS 35 -4.874 -1.163 -1.486
225 H LEU 36 H LEU 36 -3.677 0.736 -4.406
226 HA LEU 36 HA LEU 36 -5.887 2.646 -4.273
227 HB2 LEU 36 HB2 LEU 36 -3.799 2.157 -6.405
228 HB3 LEU 36 HB3 LEU 36 -5.140 3.271 -6.566
229 HG LEU 36 HG LEU 36 -2.923 3.529 -4.526
230 HD11 LEU 36 HD11 LEU 36 -3.407 5.032 -7.089
231 HD12 LEU 36 HD12 LEU 36 -2.101 3.881 -6.799
232 HD13 LEU 36 HD13 LEU 36 -2.160 5.395 -5.899
233 HD21 LEU 36 HD21 LEU 36 -5.019 4.511 -3.777
234 HD22 LEU 36 HD22 LEU 36 -5.171 5.382 -5.302
235 HD23 LEU 36 HD23 LEU 36 -3.859 5.773 -4.192
236 H1 MAN 101 H1 MAN 101 10.544 -6.020 6.390
237 H2 MAN 101 H2 MAN 101 10.342 -3.835 7.763
238 H3 MAN 101 H3 MAN 101 10.036 -2.305 5.843
239 H4 MAN 101 H4 MAN 101 12.937 -2.987 5.232
240 H5 MAN 101 H5 MAN 101 10.372 -3.625 3.677
241 H61 MAN 101 H61 MAN 101 11.910 -4.979 2.270
242 H62 MAN 101 H62 MAN 101 13.302 -4.365 3.191
243 HO2 MAN 101 HO2 MAN 101 12.632 -3.469 7.781
244 HO3 MAN 101 HO3 MAN 101 11.775 -0.863 6.422
245 HO4 MAN 101 HO4 MAN 101 12.440 -1.681 3.445
246 HO6 MAN 101 HO6 MAN 101 11.512 -2.883 1.547
Start of MODEL 12
1 H1 THR 1 H1 THR 1 -6.500 -8.163 6.247
2 H2 THR 1 H2 THR 1 -4.809 -8.132 6.253
3 H3 THR 1 H3 THR 1 -5.631 -9.440 5.524
4 HA THR 1 HA THR 1 -4.789 -7.965 3.876
5 HB THR 1 HB THR 1 -7.791 -7.611 4.163
6 HG1 THR 1 HG1 THR 1 -7.142 -9.806 2.758
7 HG21 THR 1 HG21 THR 1 -6.005 -8.061 1.768
8 HG22 THR 1 HG22 THR 1 -6.716 -6.517 2.241
9 HG23 THR 1 HG23 THR 1 -7.753 -7.846 1.732
10 H GLN 2 H GLN 2 -4.545 -5.780 3.143
11 HA GLN 2 HA GLN 2 -4.977 -3.765 5.199
12 HB2 GLN 2 HB2 GLN 2 -2.858 -4.289 3.603
13 HB3 GLN 2 HB3 GLN 2 -3.709 -3.185 2.549
14 HG2 GLN 2 HG2 GLN 2 -2.770 -2.558 5.352
15 HG3 GLN 2 HG3 GLN 2 -1.966 -2.067 3.866
16 HE21 GLN 2 HE21 GLN 2 -2.947 -0.521 2.604
17 HE22 GLN 2 HE22 GLN 2 -4.160 0.540 3.226
18 H SER 3 H SER 3 -6.041 -1.715 4.577
19 HA SER 3 HA SER 3 -8.366 -2.237 2.902
20 HB2 SER 3 HB2 SER 3 -7.798 0.012 4.838
21 HB3 SER 3 HB3 SER 3 -9.340 -0.322 4.049
22 HG SER 3 HG SER 3 -8.114 -2.372 5.486
23 H HIS 4 H HIS 4 -9.229 -0.189 1.825
24 HA HIS 4 HA HIS 4 -7.415 0.681 -0.190
25 HB2 HIS 4 HB2 HIS 4 -9.904 0.235 -0.452
26 HB3 HIS 4 HB3 HIS 4 -10.196 1.708 0.447
27 HD1 HIS 4 HD1 HIS 4 -11.549 2.395 -1.770
28 HD2 HIS 4 HD2 HIS 4 -7.428 2.115 -2.182
29 HE1 HIS 4 HE1 HIS 4 -11.004 3.482 -3.954
30 HE2 HIS 4 HE2 HIS 4 -8.571 3.057 -4.277
31 H TYR 5 H TYR 5 -6.324 2.580 -0.341
32 HA TYR 5 HA TYR 5 -5.354 4.498 0.134
33 HB2 TYR 5 HB2 TYR 5 -7.830 5.186 1.724
34 HB3 TYR 5 HB3 TYR 5 -6.523 6.311 1.396
35 HD1 TYR 5 HD1 TYR 5 -9.673 5.221 0.362
36 HD2 TYR 5 HD2 TYR 5 -5.947 6.550 -1.182
37 HE1 TYR 5 HE1 TYR 5 -10.778 5.858 -1.730
38 HE2 TYR 5 HE2 TYR 5 -7.037 7.191 -3.277
39 HH TYR 5 HH TYR 5 -10.460 7.294 -3.595
40 H GLY 6 H GLY 6 -4.128 2.731 1.312
41 HA2 GLY 6 HA2 GLY 6 -3.224 3.986 3.737
42 HA3 GLY 6 HA3 GLY 6 -3.821 2.333 3.921
43 H GLN 7 H GLN 7 -1.096 3.246 4.271
44 HA GLN 7 HA GLN 7 0.433 2.563 2.001
45 HB2 GLN 7 HB2 GLN 7 1.327 3.989 3.818
46 HB3 GLN 7 HB3 GLN 7 1.288 2.612 4.905
47 HG2 GLN 7 HG2 GLN 7 2.937 1.459 3.504
48 HG3 GLN 7 HG3 GLN 7 2.990 2.841 2.415
49 HE21 GLN 7 HE21 GLN 7 5.244 3.235 2.802
50 HE22 GLN 7 HE22 GLN 7 5.774 3.830 4.301
51 H CYS 8 H CYS 8 0.621 0.669 1.158
52 HA CYS 8 HA CYS 8 0.027 -1.736 2.629
53 HB2 CYS 8 HB2 CYS 8 0.563 -2.821 0.362
54 HB3 CYS 8 HB3 CYS 8 -0.844 -1.772 0.447
55 H GLY 9 H GLY 9 2.861 -0.357 0.987
56 HA2 GLY 9 HA2 GLY 9 4.710 -0.951 2.818
57 HA3 GLY 9 HA3 GLY 9 4.510 -2.499 2.000
58 H GLY 10 H GLY 10 6.034 0.448 2.074
59 HA2 GLY 10 HA2 GLY 10 7.091 0.049 -0.633
60 HA3 GLY 10 HA3 GLY 10 7.120 1.582 0.244
61 H ILE 11 H ILE 11 9.475 1.498 -0.162
62 HA ILE 11 HA ILE 11 11.028 -0.480 1.124
63 HB ILE 11 HB ILE 11 11.799 2.370 0.383
64 HG12 ILE 11 HG12 ILE 11 12.292 -0.237 -1.084
65 HG13 ILE 11 HG13 ILE 11 11.082 0.962 -1.531
66 HG21 ILE 11 HG21 ILE 11 14.134 1.588 0.526
67 HG22 ILE 11 HG22 ILE 11 13.568 0.015 1.089
68 HG23 ILE 11 HG23 ILE 11 13.311 1.449 2.081
69 HD11 ILE 11 HD11 ILE 11 14.070 1.371 -1.526
70 HD12 ILE 11 HD12 ILE 11 12.864 2.575 -1.975
71 HD13 ILE 11 HD13 ILE 11 13.054 1.115 -2.944
72 H GLY 12 H GLY 12 11.329 -0.777 3.218
73 HA2 GLY 12 HA2 GLY 12 11.984 -0.067 5.356
74 HA3 GLY 12 HA3 GLY 12 11.365 1.536 4.991
75 H TYR 13 H TYR 13 8.979 -0.464 3.976
76 HA TYR 13 HA TYR 13 7.759 -0.444 6.648
77 HB2 TYR 13 HB2 TYR 13 6.664 1.165 5.111
78 HB3 TYR 13 HB3 TYR 13 6.337 -0.142 3.984
79 HD1 TYR 13 HD1 TYR 13 4.591 -1.832 4.512
80 HD2 TYR 13 HD2 TYR 13 5.352 1.427 7.136
81 HE1 TYR 13 HE1 TYR 13 2.497 -2.291 5.655
82 HE2 TYR 13 HE2 TYR 13 3.237 0.969 8.302
83 HH TYR 13 HH TYR 13 1.064 -0.150 7.823
84 H SER 14 H SER 14 6.781 -2.269 7.381
85 HA SER 14 HA SER 14 6.428 -4.506 5.560
86 HB2 SER 14 HB2 SER 14 7.643 -4.790 8.315
87 HB3 SER 14 HB3 SER 14 7.567 -6.016 7.044
88 H GLY 15 H GLY 15 4.652 -5.814 6.228
89 HA2 GLY 15 HA2 GLY 15 3.289 -6.046 8.491
90 HA3 GLY 15 HA3 GLY 15 2.820 -4.425 7.973
91 HA PRO 16 HA PRO 16 -0.185 -7.009 5.764
92 HB2 PRO 16 HB2 PRO 16 -1.787 -4.570 5.642
93 HB3 PRO 16 HB3 PRO 16 -2.183 -6.097 6.435
94 HG2 PRO 16 HG2 PRO 16 -1.635 -3.837 7.819
95 HG3 PRO 16 HG3 PRO 16 -1.256 -5.456 8.431
96 HD2 PRO 16 HD2 PRO 16 0.556 -3.442 7.156
97 HD3 PRO 16 HD3 PRO 16 0.841 -4.496 8.558
98 H THR 17 H THR 17 1.151 -7.088 3.936
99 HA THR 17 HA THR 17 1.304 -4.789 2.224
100 HB THR 17 HB THR 17 2.839 -6.432 0.974
101 HG1 THR 17 HG1 THR 17 2.885 -8.348 1.817
102 HG21 THR 17 HG21 THR 17 3.632 -4.543 2.360
103 HG22 THR 17 HG22 THR 17 4.680 -5.948 2.532
104 HG23 THR 17 HG23 THR 17 3.513 -5.558 3.797
105 H VAL 18 H VAL 18 -0.753 -7.367 2.596
106 HA VAL 18 HA VAL 18 -1.348 -7.588 -0.255
107 HB VAL 18 HB VAL 18 -2.570 -9.080 2.105
108 HG11 VAL 18 HG11 VAL 18 -2.959 -9.502 -0.866
109 HG12 VAL 18 HG12 VAL 18 -4.165 -8.901 0.269
110 HG13 VAL 18 HG13 VAL 18 -3.577 -10.556 0.405
111 HG21 VAL 18 HG21 VAL 18 -0.618 -10.020 0.001
112 HG22 VAL 18 HG22 VAL 18 -1.314 -11.014 1.284
113 HG23 VAL 18 HG23 VAL 18 -0.229 -9.687 1.685
114 H CYS 19 H CYS 19 -2.661 -6.139 -1.069
115 HA CYS 19 HA CYS 19 -4.330 -4.526 0.627
116 HB2 CYS 19 HB2 CYS 19 -3.923 -4.490 -2.370
117 HB3 CYS 19 HB3 CYS 19 -4.845 -3.303 -1.447
118 H ALA 20 H ALA 20 -6.577 -4.082 0.045
119 HA ALA 20 HA ALA 20 -8.154 -6.393 0.167
120 HB1 ALA 20 HB1 ALA 20 -8.759 -4.238 1.150
121 HB2 ALA 20 HB2 ALA 20 -10.026 -4.833 0.079
122 HB3 ALA 20 HB3 ALA 20 -8.942 -3.553 -0.463
123 H SER 21 H SER 21 -9.714 -7.183 -1.338
124 HA SER 21 HA SER 21 -8.779 -7.447 -3.943
125 HB2 SER 21 HB2 SER 21 -11.519 -7.999 -2.798
126 HB3 SER 21 HB3 SER 21 -10.934 -8.579 -4.357
127 HG SER 21 HG SER 21 -9.360 -9.761 -3.314
128 H GLY 22 H GLY 22 -8.784 -6.044 -5.489
129 HA2 GLY 22 HA2 GLY 22 -10.072 -4.761 -7.076
130 HA3 GLY 22 HA3 GLY 22 -11.021 -4.147 -5.722
131 H THR 23 H THR 23 -8.245 -4.105 -4.291
132 HA THR 23 HA THR 23 -7.520 -1.480 -5.379
133 HB THR 23 HB THR 23 -6.672 -0.875 -3.135
134 HG1 THR 23 HG1 THR 23 -7.170 -3.589 -2.632
135 HG21 THR 23 HG21 THR 23 -9.050 -0.490 -3.561
136 HG22 THR 23 HG22 THR 23 -8.760 -0.899 -1.869
137 HG23 THR 23 HG23 THR 23 -9.419 -2.110 -2.970
138 H THR 24 H THR 24 -5.339 -1.027 -5.637
139 HA THR 24 HA THR 24 -3.671 -3.428 -5.701
140 HB THR 24 HB THR 24 -2.498 -2.299 -7.645
141 HG1 THR 24 HG1 THR 24 -4.559 -0.457 -7.148
142 HG21 THR 24 HG21 THR 24 -4.080 -4.137 -7.984
143 HG22 THR 24 HG22 THR 24 -4.208 -2.958 -9.290
144 HG23 THR 24 HG23 THR 24 -5.417 -2.992 -8.005
145 H CYS 25 H CYS 25 -1.699 -3.299 -4.784
146 HA CYS 25 HA CYS 25 -1.003 -1.001 -3.212
147 HB2 CYS 25 HB2 CYS 25 -0.447 -3.294 -2.456
148 HB3 CYS 25 HB3 CYS 25 0.573 -3.520 -3.871
149 H GLN 26 H GLN 26 -0.599 0.731 -4.463
150 HA GLN 26 HA GLN 26 1.206 0.416 -6.730
151 HB2 GLN 26 HB2 GLN 26 -0.586 2.718 -5.944
152 HB3 GLN 26 HB3 GLN 26 0.473 2.714 -7.344
153 HG2 GLN 26 HG2 GLN 26 -0.756 0.826 -8.275
154 HG3 GLN 26 HG3 GLN 26 -1.814 0.816 -6.868
155 HE21 GLN 26 HE21 GLN 26 -3.601 1.141 -8.115
156 HE22 GLN 26 HE22 GLN 26 -3.983 2.654 -8.858
157 H VAL 27 H VAL 27 3.187 1.170 -6.703
158 HA VAL 27 HA VAL 27 4.175 2.329 -4.258
159 HB VAL 27 HB VAL 27 5.683 1.666 -6.815
160 HG11 VAL 27 HG11 VAL 27 6.892 3.229 -5.409
161 HG12 VAL 27 HG12 VAL 27 7.677 1.647 -5.363
162 HG13 VAL 27 HG13 VAL 27 6.676 2.175 -4.015
163 HG21 VAL 27 HG21 VAL 27 5.339 -0.006 -4.329
164 HG22 VAL 27 HG22 VAL 27 6.390 -0.396 -5.691
165 HG23 VAL 27 HG23 VAL 27 4.644 -0.345 -5.913
166 H LEU 28 H LEU 28 3.431 4.325 -4.140
167 HA LEU 28 HA LEU 28 3.292 6.140 -6.369
168 HB2 LEU 28 HB2 LEU 28 2.948 6.645 -3.413
169 HB3 LEU 28 HB3 LEU 28 2.528 7.747 -4.706
170 HG LEU 28 HG LEU 28 1.215 5.077 -4.212
171 HD11 LEU 28 HD11 LEU 28 -0.722 6.425 -3.531
172 HD12 LEU 28 HD12 LEU 28 0.266 7.885 -3.664
173 HD13 LEU 28 HD13 LEU 28 0.663 6.654 -2.465
174 HD21 LEU 28 HD21 LEU 28 1.193 5.702 -6.563
175 HD22 LEU 28 HD22 LEU 28 0.577 7.299 -6.128
176 HD23 LEU 28 HD23 LEU 28 -0.420 5.866 -5.856
177 H ASN 29 H ASN 29 5.177 5.816 -3.463
178 HA ASN 29 HA ASN 29 7.276 7.553 -4.561
179 HB2 ASN 29 HB2 ASN 29 6.351 7.310 -1.663
180 HB3 ASN 29 HB3 ASN 29 7.754 8.191 -2.203
181 HD21 ASN 29 HD21 ASN 29 6.999 10.046 -1.222
182 HD22 ASN 29 HD22 ASN 29 5.690 10.975 -1.853
183 HA PRO 30 HA PRO 30 9.863 4.026 -3.731
184 HB2 PRO 30 HB2 PRO 30 11.564 5.505 -1.795
185 HB3 PRO 30 HB3 PRO 30 12.024 4.662 -3.277
186 HG2 PRO 30 HG2 PRO 30 11.982 7.306 -3.195
187 HG3 PRO 30 HG3 PRO 30 11.425 6.441 -4.635
188 HD2 PRO 30 HD2 PRO 30 9.823 7.733 -2.463
189 HD3 PRO 30 HD3 PRO 30 9.534 7.736 -4.213
190 H TYR 31 H TYR 31 9.001 5.838 -0.805
191 HA TYR 31 HA TYR 31 9.102 3.289 0.658
192 HB2 TYR 31 HB2 TYR 31 8.798 6.039 1.858
193 HB3 TYR 31 HB3 TYR 31 9.267 4.548 2.647
194 HD1 TYR 31 HD1 TYR 31 10.444 7.371 0.630
195 HD2 TYR 31 HD2 TYR 31 11.534 3.651 2.363
196 HE1 TYR 31 HE1 TYR 31 12.796 7.917 0.308
197 HE2 TYR 31 HE2 TYR 31 13.883 4.185 2.043
198 HH TYR 31 HH TYR 31 15.253 5.623 0.622
199 H TYR 32 H TYR 32 7.002 5.861 -0.441
200 HA TYR 32 HA TYR 32 4.820 4.821 1.161
201 HB2 TYR 32 HB2 TYR 32 5.243 7.343 0.781
202 HB3 TYR 32 HB3 TYR 32 4.587 7.063 -0.823
203 HD1 TYR 32 HD1 TYR 32 2.252 7.154 -1.189
204 HD2 TYR 32 HD2 TYR 32 3.765 6.645 2.765
205 HE1 TYR 32 HE1 TYR 32 -0.017 7.456 -0.278
206 HE2 TYR 32 HE2 TYR 32 1.508 6.949 3.677
207 HH TYR 32 HH TYR 32 -1.305 6.912 1.771
208 H SER 33 H SER 33 3.755 3.183 0.419
209 HA SER 33 HA SER 33 2.967 3.162 -2.390
210 HB2 SER 33 HB2 SER 33 3.682 0.747 -0.689
211 HB3 SER 33 HB3 SER 33 3.197 0.721 -2.385
212 HG SER 33 HG SER 33 5.215 2.381 -2.262
213 H GLN 34 H GLN 34 0.766 2.739 -2.613
214 HA GLN 34 HA GLN 34 -0.650 2.300 -0.096
215 HB2 GLN 34 HB2 GLN 34 -0.491 4.693 -0.364
216 HB3 GLN 34 HB3 GLN 34 -1.135 4.597 -1.993
217 HG2 GLN 34 HG2 GLN 34 -3.282 3.980 -1.184
218 HG3 GLN 34 HG3 GLN 34 -2.657 3.730 0.442
219 HE21 GLN 34 HE21 GLN 34 -3.710 6.051 -1.867
220 HE22 GLN 34 HE22 GLN 34 -3.654 7.415 -0.813
221 H CYS 35 H CYS 35 -2.536 1.180 -0.237
222 HA CYS 35 HA CYS 35 -3.086 -0.229 -2.634
223 HB2 CYS 35 HB2 CYS 35 -4.901 -0.013 -0.223
224 HB3 CYS 35 HB3 CYS 35 -4.841 -1.252 -1.443
225 H LEU 36 H LEU 36 -3.836 0.863 -4.253
226 HA LEU 36 HA LEU 36 -6.077 2.685 -3.880
227 HB2 LEU 36 HB2 LEU 36 -3.983 2.521 -6.046
228 HB3 LEU 36 HB3 LEU 36 -5.384 3.564 -6.120
229 HG LEU 36 HG LEU 36 -3.198 3.770 -4.041
230 HD11 LEU 36 HD11 LEU 36 -2.390 4.374 -6.252
231 HD12 LEU 36 HD12 LEU 36 -2.568 5.806 -5.232
232 HD13 LEU 36 HD13 LEU 36 -3.771 5.446 -6.470
233 HD21 LEU 36 HD21 LEU 36 -5.587 5.487 -4.655
234 HD22 LEU 36 HD22 LEU 36 -4.265 5.964 -3.616
235 HD23 LEU 36 HD23 LEU 36 -5.283 4.588 -3.163
236 H1 MAN 101 H1 MAN 101 9.940 -6.315 6.776
237 H2 MAN 101 H2 MAN 101 9.250 -5.867 9.080
238 H3 MAN 101 H3 MAN 101 9.449 -3.756 9.797
239 H4 MAN 101 H4 MAN 101 11.491 -2.282 9.000
240 H5 MAN 101 H5 MAN 101 11.760 -2.774 6.430
241 H61 MAN 101 H61 MAN 101 13.632 -2.728 8.011
242 H62 MAN 101 H62 MAN 101 13.848 -3.951 6.751
243 HO2 MAN 101 HO2 MAN 101 12.040 -5.800 8.635
244 HO3 MAN 101 HO3 MAN 101 12.203 -4.439 9.976
245 HO4 MAN 101 HO4 MAN 101 10.153 -1.475 7.397
246 HO6 MAN 101 HO6 MAN 101 14.291 -5.117 8.501
Start of MODEL 13
1 H1 THR 1 H1 THR 1 -7.352 -7.116 5.342
2 H2 THR 1 H2 THR 1 -5.780 -7.391 5.905
3 H3 THR 1 H3 THR 1 -6.577 -8.570 4.964
4 HA THR 1 HA THR 1 -4.952 -7.316 3.726
5 HB THR 1 HB THR 1 -6.625 -6.486 1.945
6 HG1 THR 1 HG1 THR 1 -8.793 -7.311 2.333
7 HG21 THR 1 HG21 THR 1 -6.802 -9.340 2.946
8 HG22 THR 1 HG22 THR 1 -5.587 -8.692 1.848
9 HG23 THR 1 HG23 THR 1 -7.269 -8.790 1.335
10 H GLN 2 H GLN 2 -4.181 -5.323 3.006
11 HA GLN 2 HA GLN 2 -4.651 -3.243 4.884
12 HB2 GLN 2 HB2 GLN 2 -2.486 -3.968 3.466
13 HB3 GLN 2 HB3 GLN 2 -3.086 -2.728 2.383
14 HG2 GLN 2 HG2 GLN 2 -2.492 -2.284 5.315
15 HG3 GLN 2 HG3 GLN 2 -1.356 -1.947 4.031
16 HE21 GLN 2 HE21 GLN 2 -3.315 -0.918 2.231
17 HE22 GLN 2 HE22 GLN 2 -3.845 0.592 2.856
18 H SER 3 H SER 3 -5.807 -1.453 4.681
19 HA SER 3 HA SER 3 -8.086 -1.511 3.059
20 HB2 SER 3 HB2 SER 3 -7.008 0.676 4.821
21 HB3 SER 3 HB3 SER 3 -8.673 0.530 4.255
22 HG SER 3 HG SER 3 -8.934 -1.274 5.461
23 H HIS 4 H HIS 4 -8.894 0.205 1.720
24 HA HIS 4 HA HIS 4 -7.111 1.018 -0.342
25 HB2 HIS 4 HB2 HIS 4 -9.666 0.593 -0.522
26 HB3 HIS 4 HB3 HIS 4 -9.853 2.188 0.184
27 HD1 HIS 4 HD1 HIS 4 -11.090 2.837 -2.139
28 HD2 HIS 4 HD2 HIS 4 -7.059 1.900 -2.448
29 HE1 HIS 4 HE1 HIS 4 -10.420 3.499 -4.449
30 HE2 HIS 4 HE2 HIS 4 -8.169 2.368 -4.662
31 H TYR 5 H TYR 5 -5.825 2.758 -0.345
32 HA TYR 5 HA TYR 5 -4.845 4.665 0.138
33 HB2 TYR 5 HB2 TYR 5 -7.413 5.462 1.514
34 HB3 TYR 5 HB3 TYR 5 -5.998 6.501 1.461
35 HD1 TYR 5 HD1 TYR 5 -5.368 7.626 -0.551
36 HD2 TYR 5 HD2 TYR 5 -8.712 5.002 -0.530
37 HE1 TYR 5 HE1 TYR 5 -6.097 8.556 -2.695
38 HE2 TYR 5 HE2 TYR 5 -9.447 5.922 -2.686
39 HH TYR 5 HH TYR 5 -7.428 7.923 -4.560
40 H GLY 6 H GLY 6 -3.769 2.834 1.309
41 HA2 GLY 6 HA2 GLY 6 -2.793 4.007 3.737
42 HA3 GLY 6 HA3 GLY 6 -3.482 2.383 3.905
43 H GLN 7 H GLN 7 -0.755 2.853 4.354
44 HA GLN 7 HA GLN 7 0.683 2.256 1.937
45 HB2 GLN 7 HB2 GLN 7 1.692 3.684 3.666
46 HB3 GLN 7 HB3 GLN 7 1.651 2.343 4.799
47 HG2 GLN 7 HG2 GLN 7 3.251 1.115 3.475
48 HG3 GLN 7 HG3 GLN 7 3.248 2.358 2.231
49 HE21 GLN 7 HE21 GLN 7 5.546 2.775 2.483
50 HE22 GLN 7 HE22 GLN 7 6.099 3.525 3.919
51 H CYS 8 H CYS 8 0.802 0.366 1.130
52 HA CYS 8 HA CYS 8 0.032 -1.995 2.616
53 HB2 CYS 8 HB2 CYS 8 0.327 -3.037 0.315
54 HB3 CYS 8 HB3 CYS 8 -0.947 -1.837 0.511
55 H GLY 9 H GLY 9 2.890 -0.858 0.871
56 HA2 GLY 9 HA2 GLY 9 4.669 -2.170 2.566
57 HA3 GLY 9 HA3 GLY 9 4.310 -3.247 1.223
58 H GLY 10 H GLY 10 5.599 -0.172 2.125
59 HA2 GLY 10 HA2 GLY 10 6.962 -0.064 -0.479
60 HA3 GLY 10 HA3 GLY 10 6.636 1.343 0.543
61 H ILE 11 H ILE 11 9.083 1.444 0.100
62 HA ILE 11 HA ILE 11 10.765 -0.334 1.511
63 HB ILE 11 HB ILE 11 11.348 2.534 0.716
64 HG12 ILE 11 HG12 ILE 11 11.970 -0.037 -0.758
65 HG13 ILE 11 HG13 ILE 11 10.703 1.098 -1.207
66 HG21 ILE 11 HG21 ILE 11 13.214 0.252 1.410
67 HG22 ILE 11 HG22 ILE 11 12.899 1.672 2.402
68 HG23 ILE 11 HG23 ILE 11 13.712 1.850 0.845
69 HD11 ILE 11 HD11 ILE 11 13.665 1.663 -1.174
70 HD12 ILE 11 HD12 ILE 11 12.396 2.804 -1.629
71 HD13 ILE 11 HD13 ILE 11 12.675 1.360 -2.601
72 H GLY 12 H GLY 12 10.769 -0.577 3.606
73 HA2 GLY 12 HA2 GLY 12 11.397 0.327 5.752
74 HA3 GLY 12 HA3 GLY 12 10.517 1.790 5.338
75 H TYR 13 H TYR 13 8.561 -0.442 4.150
76 HA TYR 13 HA TYR 13 7.055 -0.555 6.652
77 HB2 TYR 13 HB2 TYR 13 5.964 0.577 4.707
78 HB3 TYR 13 HB3 TYR 13 6.035 -0.946 3.830
79 HD1 TYR 13 HD1 TYR 13 4.610 -2.886 4.618
80 HD2 TYR 13 HD2 TYR 13 4.266 0.989 6.314
81 HE1 TYR 13 HE1 TYR 13 2.423 -3.495 5.561
82 HE2 TYR 13 HE2 TYR 13 2.094 0.389 7.268
83 HH TYR 13 HH TYR 13 0.289 -1.228 6.719
84 H SER 14 H SER 14 6.572 -2.431 7.550
85 HA SER 14 HA SER 14 6.753 -4.896 6.011
86 HB2 SER 14 HB2 SER 14 8.016 -4.335 8.704
87 HB3 SER 14 HB3 SER 14 7.900 -5.938 7.960
88 H GLY 15 H GLY 15 4.782 -5.802 6.174
89 HA2 GLY 15 HA2 GLY 15 3.450 -6.465 8.462
90 HA3 GLY 15 HA3 GLY 15 2.859 -4.861 8.024
91 HA PRO 16 HA PRO 16 0.224 -7.721 5.598
92 HB2 PRO 16 HB2 PRO 16 -1.736 -5.543 5.850
93 HB3 PRO 16 HB3 PRO 16 -1.899 -7.237 6.332
94 HG2 PRO 16 HG2 PRO 16 -1.687 -5.287 8.168
95 HG3 PRO 16 HG3 PRO 16 -0.935 -6.874 8.404
96 HD2 PRO 16 HD2 PRO 16 0.334 -4.320 7.461
97 HD3 PRO 16 HD3 PRO 16 0.900 -5.470 8.694
98 H THR 17 H THR 17 1.377 -7.417 3.737
99 HA THR 17 HA THR 17 1.367 -4.959 2.309
100 HB THR 17 HB THR 17 2.637 -6.331 0.608
101 HG1 THR 17 HG1 THR 17 2.398 -8.393 0.824
102 HG21 THR 17 HG21 THR 17 4.651 -6.522 2.011
103 HG22 THR 17 HG22 THR 17 3.649 -6.413 3.460
104 HG23 THR 17 HG23 THR 17 3.776 -5.032 2.375
105 H VAL 18 H VAL 18 -0.508 -7.854 2.266
106 HA VAL 18 HA VAL 18 -1.447 -7.534 -0.420
107 HB VAL 18 HB VAL 18 -2.595 -9.254 1.808
108 HG11 VAL 18 HG11 VAL 18 -3.044 -9.400 -1.179
109 HG12 VAL 18 HG12 VAL 18 -4.212 -8.829 0.007
110 HG13 VAL 18 HG13 VAL 18 -3.698 -10.514 0.023
111 HG21 VAL 18 HG21 VAL 18 -0.695 -9.963 -0.424
112 HG22 VAL 18 HG22 VAL 18 -1.379 -11.095 0.743
113 HG23 VAL 18 HG23 VAL 18 -0.278 -9.829 1.281
114 H CYS 19 H CYS 19 -2.823 -6.092 -1.043
115 HA CYS 19 HA CYS 19 -4.366 -4.561 0.831
116 HB2 CYS 19 HB2 CYS 19 -4.251 -4.407 -2.193
117 HB3 CYS 19 HB3 CYS 19 -5.008 -3.244 -1.112
118 H ALA 20 H ALA 20 -6.692 -4.103 0.286
119 HA ALA 20 HA ALA 20 -8.155 -6.503 0.396
120 HB1 ALA 20 HB1 ALA 20 -8.893 -4.447 1.490
121 HB2 ALA 20 HB2 ALA 20 -10.126 -5.052 0.384
122 HB3 ALA 20 HB3 ALA 20 -9.117 -3.686 -0.085
123 H SER 21 H SER 21 -9.744 -7.285 -1.082
124 HA SER 21 HA SER 21 -8.957 -7.585 -3.717
125 HB2 SER 21 HB2 SER 21 -11.782 -7.761 -2.698
126 HB3 SER 21 HB3 SER 21 -11.032 -8.713 -3.980
127 HG SER 21 HG SER 21 -9.809 -9.774 -2.496
128 H GLY 22 H GLY 22 -8.944 -6.052 -5.311
129 HA2 GLY 22 HA2 GLY 22 -10.256 -4.676 -6.769
130 HA3 GLY 22 HA3 GLY 22 -11.168 -4.139 -5.358
131 H THR 23 H THR 23 -8.068 -4.293 -4.341
132 HA THR 23 HA THR 23 -7.420 -1.625 -5.333
133 HB THR 23 HB THR 23 -6.544 -0.990 -3.102
134 HG1 THR 23 HG1 THR 23 -7.304 -3.634 -2.484
135 HG21 THR 23 HG21 THR 23 -8.672 -0.789 -1.891
136 HG22 THR 23 HG22 THR 23 -9.405 -1.941 -3.011
137 HG23 THR 23 HG23 THR 23 -8.835 -0.380 -3.594
138 H THR 24 H THR 24 -5.209 -1.268 -5.671
139 HA THR 24 HA THR 24 -3.637 -3.743 -5.575
140 HB THR 24 HB THR 24 -2.430 -2.786 -7.587
141 HG1 THR 24 HG1 THR 24 -4.403 -0.802 -7.212
142 HG21 THR 24 HG21 THR 24 -4.096 -4.567 -7.804
143 HG22 THR 24 HG22 THR 24 -4.175 -3.464 -9.180
144 HG23 THR 24 HG23 THR 24 -5.380 -3.363 -7.895
145 H CYS 25 H CYS 25 -1.586 -3.646 -4.706
146 HA CYS 25 HA CYS 25 -0.920 -1.280 -3.231
147 HB2 CYS 25 HB2 CYS 25 -0.434 -3.513 -2.292
148 HB3 CYS 25 HB3 CYS 25 0.624 -3.858 -3.654
149 H GLN 26 H GLN 26 -0.261 0.399 -4.430
150 HA GLN 26 HA GLN 26 1.787 -0.140 -6.460
151 HB2 GLN 26 HB2 GLN 26 -0.417 1.904 -6.499
152 HB3 GLN 26 HB3 GLN 26 0.953 1.931 -7.591
153 HG2 GLN 26 HG2 GLN 26 0.309 -0.243 -8.469
154 HG3 GLN 26 HG3 GLN 26 -1.068 -0.284 -7.364
155 HE21 GLN 26 HE21 GLN 26 -2.825 0.976 -7.788
156 HE22 GLN 26 HE22 GLN 26 -3.047 1.791 -9.294
157 H VAL 27 H VAL 27 3.497 1.106 -6.554
158 HA VAL 27 HA VAL 27 4.342 2.523 -4.293
159 HB VAL 27 HB VAL 27 5.402 2.561 -7.147
160 HG11 VAL 27 HG11 VAL 27 6.205 4.507 -5.920
161 HG12 VAL 27 HG12 VAL 27 7.512 3.355 -6.196
162 HG13 VAL 27 HG13 VAL 27 6.751 3.466 -4.608
163 HG21 VAL 27 HG21 VAL 27 6.267 0.962 -4.745
164 HG22 VAL 27 HG22 VAL 27 7.059 0.957 -6.319
165 HG23 VAL 27 HG23 VAL 27 5.406 0.352 -6.156
166 H LEU 28 H LEU 28 3.572 4.444 -3.700
167 HA LEU 28 HA LEU 28 2.270 6.193 -5.659
168 HB2 LEU 28 HB2 LEU 28 1.263 5.463 -3.368
169 HB3 LEU 28 HB3 LEU 28 2.442 6.534 -2.666
170 HG LEU 28 HG LEU 28 0.281 7.476 -4.570
171 HD11 LEU 28 HD11 LEU 28 -0.738 6.532 -2.586
172 HD12 LEU 28 HD12 LEU 28 -0.876 8.293 -2.586
173 HD13 LEU 28 HD13 LEU 28 0.321 7.506 -1.568
174 HD21 LEU 28 HD21 LEU 28 0.756 9.675 -3.633
175 HD22 LEU 28 HD22 LEU 28 2.198 8.981 -4.381
176 HD23 LEU 28 HD23 LEU 28 2.028 8.980 -2.627
177 H ASN 29 H ASN 29 4.754 6.070 -3.214
178 HA ASN 29 HA ASN 29 6.268 8.225 -4.485
179 HB2 ASN 29 HB2 ASN 29 5.814 7.850 -1.489
180 HB3 ASN 29 HB3 ASN 29 6.966 8.966 -2.199
181 HD21 ASN 29 HD21 ASN 29 4.794 9.452 -0.366
182 HD22 ASN 29 HD22 ASN 29 3.760 10.596 -1.113
183 HA PRO 30 HA PRO 30 9.636 5.341 -4.353
184 HB2 PRO 30 HB2 PRO 30 11.018 7.000 -2.290
185 HB3 PRO 30 HB3 PRO 30 11.666 6.303 -3.782
186 HG2 PRO 30 HG2 PRO 30 11.070 8.852 -3.723
187 HG3 PRO 30 HG3 PRO 30 10.588 7.879 -5.127
188 HD2 PRO 30 HD2 PRO 30 8.935 8.878 -2.862
189 HD3 PRO 30 HD3 PRO 30 8.513 8.767 -4.582
190 H TYR 31 H TYR 31 8.813 6.428 -1.048
191 HA TYR 31 HA TYR 31 9.495 3.725 -0.118
192 HB2 TYR 31 HB2 TYR 31 9.168 6.287 1.489
193 HB3 TYR 31 HB3 TYR 31 9.600 4.711 2.146
194 HD1 TYR 31 HD1 TYR 31 10.777 7.453 -0.063
195 HD2 TYR 31 HD2 TYR 31 11.831 3.925 2.053
196 HE1 TYR 31 HE1 TYR 31 13.145 7.885 -0.534
197 HE2 TYR 31 HE2 TYR 31 14.190 4.343 1.590
198 HH TYR 31 HH TYR 31 15.341 7.270 0.462
199 H TYR 32 H TYR 32 6.930 5.954 -0.537
200 HA TYR 32 HA TYR 32 5.157 4.404 1.169
201 HB2 TYR 32 HB2 TYR 32 5.190 6.952 1.125
202 HB3 TYR 32 HB3 TYR 32 4.439 6.820 -0.459
203 HD1 TYR 32 HD1 TYR 32 2.128 6.529 -0.668
204 HD2 TYR 32 HD2 TYR 32 3.987 5.971 3.100
205 HE1 TYR 32 HE1 TYR 32 -0.080 6.398 0.398
206 HE2 TYR 32 HE2 TYR 32 1.793 5.835 4.179
207 HH TYR 32 HH TYR 32 -1.110 5.620 2.290
208 H SER 33 H SER 33 4.313 2.618 0.246
209 HA SER 33 HA SER 33 3.253 2.882 -2.466
210 HB2 SER 33 HB2 SER 33 3.819 0.303 -0.938
211 HB3 SER 33 HB3 SER 33 3.352 0.472 -2.634
212 HG SER 33 HG SER 33 5.444 0.335 -2.850
213 H GLN 34 H GLN 34 1.054 2.511 -2.708
214 HA GLN 34 HA GLN 34 -0.410 2.112 -0.211
215 HB2 GLN 34 HB2 GLN 34 -0.199 4.496 -0.506
216 HB3 GLN 34 HB3 GLN 34 -0.804 4.384 -2.148
217 HG2 GLN 34 HG2 GLN 34 -2.981 3.862 -1.410
218 HG3 GLN 34 HG3 GLN 34 -2.421 3.561 0.231
219 HE21 GLN 34 HE21 GLN 34 -3.274 5.966 -2.085
220 HE22 GLN 34 HE22 GLN 34 -3.255 7.299 -0.984
221 H CYS 35 H CYS 35 -2.353 1.123 -0.377
222 HA CYS 35 HA CYS 35 -2.958 -0.355 -2.713
223 HB2 CYS 35 HB2 CYS 35 -4.764 0.171 -0.351
224 HB3 CYS 35 HB3 CYS 35 -4.833 -1.150 -1.496
225 H LEU 36 H LEU 36 -3.644 0.645 -4.424
226 HA LEU 36 HA LEU 36 -5.727 2.694 -4.219
227 HB2 LEU 36 HB2 LEU 36 -3.585 2.299 -6.319
228 HB3 LEU 36 HB3 LEU 36 -4.883 3.463 -6.435
229 HG LEU 36 HG LEU 36 -2.713 3.503 -4.335
230 HD11 LEU 36 HD11 LEU 36 -1.869 5.456 -5.542
231 HD12 LEU 36 HD12 LEU 36 -3.110 5.236 -6.774
232 HD13 LEU 36 HD13 LEU 36 -1.850 4.019 -6.565
233 HD21 LEU 36 HD21 LEU 36 -4.737 4.504 -3.472
234 HD22 LEU 36 HD22 LEU 36 -4.961 5.406 -4.965
235 HD23 LEU 36 HD23 LEU 36 -3.615 5.799 -3.906
236 H1 MAN 101 H1 MAN 101 11.211 -4.370 7.071
237 H2 MAN 101 H2 MAN 101 9.727 -6.157 9.029
238 H3 MAN 101 H3 MAN 101 11.206 -5.297 10.624
239 H4 MAN 101 H4 MAN 101 12.950 -4.538 8.258
240 H5 MAN 101 H5 MAN 101 11.441 -2.662 10.185
241 H61 MAN 101 H61 MAN 101 11.474 -1.164 8.223
242 H62 MAN 101 H62 MAN 101 12.387 -2.357 7.276
243 HO2 MAN 101 HO2 MAN 101 10.574 -6.927 6.984
244 HO3 MAN 101 HO3 MAN 101 12.887 -6.811 8.886
245 HO4 MAN 101 HO4 MAN 101 14.046 -5.022 10.191
246 HO6 MAN 101 HO6 MAN 101 13.913 -2.178 9.258
Start of MODEL 14
1 H1 THR 1 H1 THR 1 -4.854 -8.070 6.096
2 H2 THR 1 H2 THR 1 -3.434 -8.230 5.165
3 H3 THR 1 H3 THR 1 -4.797 -9.218 4.882
4 HA THR 1 HA THR 1 -4.602 -7.495 3.243
5 HB THR 1 HB THR 1 -7.023 -7.239 5.031
6 HG1 THR 1 HG1 THR 1 -7.661 -9.155 3.703
7 HG21 THR 1 HG21 THR 1 -6.977 -5.844 3.006
8 HG22 THR 1 HG22 THR 1 -8.204 -7.105 2.882
9 HG23 THR 1 HG23 THR 1 -6.669 -7.280 2.030
10 H GLN 2 H GLN 2 -4.496 -5.280 2.822
11 HA GLN 2 HA GLN 2 -4.463 -3.515 5.154
12 HB2 GLN 2 HB2 GLN 2 -2.224 -4.119 3.954
13 HB3 GLN 2 HB3 GLN 2 -2.793 -3.076 2.670
14 HG2 GLN 2 HG2 GLN 2 -2.504 -2.154 5.527
15 HG3 GLN 2 HG3 GLN 2 -1.189 -2.066 4.366
16 HE21 GLN 2 HE21 GLN 2 -2.850 -1.335 2.145
17 HE22 GLN 2 HE22 GLN 2 -3.385 0.266 2.438
18 H SER 3 H SER 3 -5.480 -1.555 4.907
19 HA SER 3 HA SER 3 -7.841 -1.531 3.477
20 HB2 SER 3 HB2 SER 3 -6.429 0.731 4.850
21 HB3 SER 3 HB3 SER 3 -8.149 0.619 4.486
22 HG SER 3 HG SER 3 -8.062 -0.079 6.468
23 H HIS 4 H HIS 4 -8.673 -0.104 1.980
24 HA HIS 4 HA HIS 4 -7.145 0.583 -0.303
25 HB2 HIS 4 HB2 HIS 4 -9.679 0.149 -0.147
26 HB3 HIS 4 HB3 HIS 4 -9.821 1.746 0.555
27 HD1 HIS 4 HD1 HIS 4 -11.479 1.683 -1.772
28 HD2 HIS 4 HD2 HIS 4 -7.382 2.141 -2.245
29 HE1 HIS 4 HE1 HIS 4 -11.159 2.504 -4.107
30 HE2 HIS 4 HE2 HIS 4 -8.659 2.243 -4.416
31 H TYR 5 H TYR 5 -6.028 2.472 -0.723
32 HA TYR 5 HA TYR 5 -5.068 4.422 -0.491
33 HB2 TYR 5 HB2 TYR 5 -7.540 5.147 1.074
34 HB3 TYR 5 HB3 TYR 5 -6.223 6.294 0.842
35 HD1 TYR 5 HD1 TYR 5 -5.480 6.714 -1.590
36 HD2 TYR 5 HD2 TYR 5 -9.222 4.989 -0.551
37 HE1 TYR 5 HE1 TYR 5 -6.363 7.341 -3.785
38 HE2 TYR 5 HE2 TYR 5 -10.116 5.618 -2.772
39 HH TYR 5 HH TYR 5 -9.675 7.211 -4.531
40 H GLY 6 H GLY 6 -4.852 2.258 1.720
41 HA2 GLY 6 HA2 GLY 6 -3.398 3.944 3.633
42 HA3 GLY 6 HA3 GLY 6 -3.794 2.239 3.852
43 H GLN 7 H GLN 7 -1.213 3.071 4.308
44 HA GLN 7 HA GLN 7 0.400 2.645 1.969
45 HB2 GLN 7 HB2 GLN 7 1.212 4.087 3.802
46 HB3 GLN 7 HB3 GLN 7 1.184 2.716 4.898
47 HG2 GLN 7 HG2 GLN 7 2.917 1.608 3.544
48 HG3 GLN 7 HG3 GLN 7 2.960 3.002 2.469
49 HE21 GLN 7 HE21 GLN 7 5.200 3.426 2.939
50 HE22 GLN 7 HE22 GLN 7 5.662 4.020 4.460
51 H CYS 8 H CYS 8 0.492 0.747 1.093
52 HA CYS 8 HA CYS 8 -0.108 -1.651 2.578
53 HB2 CYS 8 HB2 CYS 8 0.164 -2.735 0.331
54 HB3 CYS 8 HB3 CYS 8 -1.097 -1.513 0.467
55 H GLY 9 H GLY 9 2.759 -0.230 1.139
56 HA2 GLY 9 HA2 GLY 9 4.559 -1.517 2.724
57 HA3 GLY 9 HA3 GLY 9 4.210 -2.690 1.469
58 H GLY 10 H GLY 10 5.667 0.303 2.242
59 HA2 GLY 10 HA2 GLY 10 7.004 0.226 -0.355
60 HA3 GLY 10 HA3 GLY 10 6.830 1.687 0.634
61 H ILE 11 H ILE 11 9.274 1.566 0.241
62 HA ILE 11 HA ILE 11 10.813 -0.303 1.676
63 HB ILE 11 HB ILE 11 11.452 2.613 1.066
64 HG12 ILE 11 HG12 ILE 11 12.196 0.104 -0.463
65 HG13 ILE 11 HG13 ILE 11 10.961 1.258 -0.949
66 HG21 ILE 11 HG21 ILE 11 13.303 0.340 1.824
67 HG22 ILE 11 HG22 ILE 11 12.896 1.730 2.829
68 HG23 ILE 11 HG23 ILE 11 13.813 1.959 1.340
69 HD11 ILE 11 HD11 ILE 11 12.675 2.984 -1.196
70 HD12 ILE 11 HD12 ILE 11 13.015 1.574 -2.202
71 HD13 ILE 11 HD13 ILE 11 13.909 1.823 -0.701
72 H GLY 12 H GLY 12 10.749 -0.641 3.824
73 HA2 GLY 12 HA2 GLY 12 11.284 0.228 5.998
74 HA3 GLY 12 HA3 GLY 12 10.465 1.720 5.550
75 H TYR 13 H TYR 13 8.405 -0.195 4.242
76 HA TYR 13 HA TYR 13 6.909 -0.596 6.728
77 HB2 TYR 13 HB2 TYR 13 5.876 0.941 5.012
78 HB3 TYR 13 HB3 TYR 13 5.830 -0.422 3.902
79 HD1 TYR 13 HD1 TYR 13 4.132 1.298 6.535
80 HD2 TYR 13 HD2 TYR 13 4.399 -2.476 4.597
81 HE1 TYR 13 HE1 TYR 13 1.952 0.663 7.468
82 HE2 TYR 13 HE2 TYR 13 2.219 -3.112 5.520
83 HH TYR 13 HH TYR 13 0.107 -0.932 6.880
84 H SER 14 H SER 14 6.703 -2.612 7.345
85 HA SER 14 HA SER 14 6.738 -4.730 5.328
86 HB2 SER 14 HB2 SER 14 8.117 -5.040 7.983
87 HB3 SER 14 HB3 SER 14 8.374 -5.947 6.485
88 H GLY 15 H GLY 15 4.931 -5.987 5.661
89 HA2 GLY 15 HA2 GLY 15 3.935 -7.024 7.898
90 HA3 GLY 15 HA3 GLY 15 3.329 -5.371 7.968
91 HA PRO 16 HA PRO 16 0.084 -7.316 5.532
92 HB2 PRO 16 HB2 PRO 16 -1.387 -4.808 5.841
93 HB3 PRO 16 HB3 PRO 16 -1.800 -6.409 6.458
94 HG2 PRO 16 HG2 PRO 16 -1.023 -4.366 8.070
95 HG3 PRO 16 HG3 PRO 16 -0.702 -6.069 8.443
96 HD2 PRO 16 HD2 PRO 16 1.135 -4.000 7.297
97 HD3 PRO 16 HD3 PRO 16 1.448 -5.250 8.524
98 H THR 17 H THR 17 1.099 -7.281 3.553
99 HA THR 17 HA THR 17 1.252 -4.773 2.105
100 HB THR 17 HB THR 17 2.675 -6.177 0.532
101 HG1 THR 17 HG1 THR 17 3.512 -8.084 1.550
102 HG21 THR 17 HG21 THR 17 3.622 -4.623 2.206
103 HG22 THR 17 HG22 THR 17 4.637 -6.047 2.007
104 HG23 THR 17 HG23 THR 17 3.582 -5.907 3.412
105 H VAL 18 H VAL 18 -0.798 -7.411 2.305
106 HA VAL 18 HA VAL 18 -1.460 -7.424 -0.530
107 HB VAL 18 HB VAL 18 -2.656 -9.063 1.738
108 HG11 VAL 18 HG11 VAL 18 -3.643 -10.449 -0.025
109 HG12 VAL 18 HG12 VAL 18 -3.010 -9.344 -1.245
110 HG13 VAL 18 HG13 VAL 18 -4.233 -8.788 -0.106
111 HG21 VAL 18 HG21 VAL 18 -1.372 -10.934 0.806
112 HG22 VAL 18 HG22 VAL 18 -0.312 -9.623 1.325
113 HG23 VAL 18 HG23 VAL 18 -0.661 -9.847 -0.387
114 H CYS 19 H CYS 19 -2.811 -5.961 -1.237
115 HA CYS 19 HA CYS 19 -4.377 -4.406 0.562
116 HB2 CYS 19 HB2 CYS 19 -4.291 -4.403 -2.449
117 HB3 CYS 19 HB3 CYS 19 -5.075 -3.194 -1.431
118 H ALA 20 H ALA 20 -6.629 -3.999 0.289
119 HA ALA 20 HA ALA 20 -8.158 -6.325 0.530
120 HB1 ALA 20 HB1 ALA 20 -8.635 -4.221 1.690
121 HB2 ALA 20 HB2 ALA 20 -10.033 -4.831 0.809
122 HB3 ALA 20 HB3 ALA 20 -9.092 -3.490 0.150
123 H SER 21 H SER 21 -10.318 -6.496 -0.658
124 HA SER 21 HA SER 21 -9.732 -7.368 -3.247
125 HB2 SER 21 HB2 SER 21 -11.488 -8.311 -1.730
126 HB3 SER 21 HB3 SER 21 -12.467 -6.885 -2.053
127 HG SER 21 HG SER 21 -12.475 -9.053 -3.397
128 H GLY 22 H GLY 22 -9.543 -6.256 -5.029
129 HA2 GLY 22 HA2 GLY 22 -10.473 -4.915 -6.721
130 HA3 GLY 22 HA3 GLY 22 -11.295 -3.976 -5.487
131 H THR 23 H THR 23 -8.369 -4.337 -4.177
132 HA THR 23 HA THR 23 -7.504 -1.842 -5.448
133 HB THR 23 HB THR 23 -6.641 -1.066 -3.286
134 HG1 THR 23 HG1 THR 23 -7.437 -3.663 -2.481
135 HG21 THR 23 HG21 THR 23 -8.769 -0.788 -2.120
136 HG22 THR 23 HG22 THR 23 -9.471 -2.073 -3.104
137 HG23 THR 23 HG23 THR 23 -8.956 -0.565 -3.857
138 H THR 24 H THR 24 -5.344 -1.458 -5.775
139 HA THR 24 HA THR 24 -3.632 -3.842 -5.578
140 HB THR 24 HB THR 24 -2.415 -2.856 -7.573
141 HG1 THR 24 HG1 THR 24 -4.692 -1.150 -7.496
142 HG21 THR 24 HG21 THR 24 -5.300 -3.674 -7.970
143 HG22 THR 24 HG22 THR 24 -3.926 -4.770 -7.804
144 HG23 THR 24 HG23 THR 24 -4.046 -3.714 -9.211
145 H CYS 25 H CYS 25 -1.696 -3.624 -4.593
146 HA CYS 25 HA CYS 25 -1.039 -1.202 -3.221
147 HB2 CYS 25 HB2 CYS 25 -0.490 -3.418 -2.279
148 HB3 CYS 25 HB3 CYS 25 0.585 -3.733 -3.634
149 H GLN 26 H GLN 26 -0.391 0.491 -4.437
150 HA GLN 26 HA GLN 26 1.573 -0.087 -6.532
151 HB2 GLN 26 HB2 GLN 26 -0.400 2.168 -6.362
152 HB3 GLN 26 HB3 GLN 26 0.807 1.961 -7.625
153 HG2 GLN 26 HG2 GLN 26 -0.252 -0.173 -8.242
154 HG3 GLN 26 HG3 GLN 26 -1.493 0.121 -7.025
155 HE21 GLN 26 HE21 GLN 26 -3.132 0.188 -8.460
156 HE22 GLN 26 HE22 GLN 26 -3.362 1.477 -9.587
157 H VAL 27 H VAL 27 3.375 1.072 -6.654
158 HA VAL 27 HA VAL 27 4.245 2.387 -4.275
159 HB VAL 27 HB VAL 27 5.620 1.940 -6.950
160 HG11 VAL 27 HG11 VAL 27 7.716 2.484 -5.784
161 HG12 VAL 27 HG12 VAL 27 6.784 2.936 -4.354
162 HG13 VAL 27 HG13 VAL 27 6.614 3.857 -5.842
163 HG21 VAL 27 HG21 VAL 27 5.926 0.521 -4.310
164 HG22 VAL 27 HG22 VAL 27 6.860 0.193 -5.770
165 HG23 VAL 27 HG23 VAL 27 5.122 -0.117 -5.740
166 H LEU 28 H LEU 28 3.733 4.448 -3.927
167 HA LEU 28 HA LEU 28 3.132 6.200 -6.208
168 HB2 LEU 28 HB2 LEU 28 1.638 5.806 -4.047
169 HB3 LEU 28 HB3 LEU 28 2.762 6.918 -3.318
170 HG LEU 28 HG LEU 28 1.044 7.610 -5.715
171 HD11 LEU 28 HD11 LEU 28 -0.347 8.854 -4.149
172 HD12 LEU 28 HD12 LEU 28 0.606 8.231 -2.807
173 HD13 LEU 28 HD13 LEU 28 -0.352 7.124 -3.794
174 HD21 LEU 28 HD21 LEU 28 2.602 9.377 -3.818
175 HD22 LEU 28 HD22 LEU 28 1.580 9.930 -5.143
176 HD23 LEU 28 HD23 LEU 28 3.050 9.014 -5.485
177 H ASN 29 H ASN 29 5.227 5.741 -3.459
178 HA ASN 29 HA ASN 29 7.198 7.572 -4.540
179 HB2 ASN 29 HB2 ASN 29 6.272 7.605 -1.620
180 HB3 ASN 29 HB3 ASN 29 7.688 8.414 -2.242
181 HD21 ASN 29 HD21 ASN 29 4.259 8.520 -1.948
182 HD22 ASN 29 HD22 ASN 29 4.077 10.126 -2.558
183 HA PRO 30 HA PRO 30 9.941 4.234 -3.524
184 HB2 PRO 30 HB2 PRO 30 11.379 5.948 -1.546
185 HB3 PRO 30 HB3 PRO 30 12.031 4.973 -2.869
186 HG2 PRO 30 HG2 PRO 30 11.861 7.594 -3.146
187 HG3 PRO 30 HG3 PRO 30 11.425 6.528 -4.492
188 HD2 PRO 30 HD2 PRO 30 9.663 8.038 -2.621
189 HD3 PRO 30 HD3 PRO 30 9.464 7.753 -4.361
190 H TYR 31 H TYR 31 9.090 6.050 -0.555
191 HA TYR 31 HA TYR 31 9.086 3.502 0.899
192 HB2 TYR 31 HB2 TYR 31 8.705 6.331 1.911
193 HB3 TYR 31 HB3 TYR 31 8.761 4.897 2.903
194 HD1 TYR 31 HD1 TYR 31 10.895 6.726 0.406
195 HD2 TYR 31 HD2 TYR 31 10.740 4.349 3.920
196 HE1 TYR 31 HE1 TYR 31 13.308 7.019 0.713
197 HE2 TYR 31 HE2 TYR 31 13.145 4.635 4.226
198 HH TYR 31 HH TYR 31 15.105 5.145 2.881
199 H TYR 32 H TYR 32 6.941 5.885 -0.435
200 HA TYR 32 HA TYR 32 4.748 4.812 1.135
201 HB2 TYR 32 HB2 TYR 32 5.028 7.308 0.827
202 HB3 TYR 32 HB3 TYR 32 4.580 7.043 -0.854
203 HD1 TYR 32 HD1 TYR 32 3.288 6.077 2.504
204 HD2 TYR 32 HD2 TYR 32 2.410 7.482 -1.408
205 HE1 TYR 32 HE1 TYR 32 0.921 6.257 3.108
206 HE2 TYR 32 HE2 TYR 32 0.031 7.654 -0.812
207 HH TYR 32 HH TYR 32 -1.515 6.920 0.739
208 H SER 33 H SER 33 3.782 3.073 0.394
209 HA SER 33 HA SER 33 3.033 3.060 -2.430
210 HB2 SER 33 HB2 SER 33 3.438 0.612 -0.665
211 HB3 SER 33 HB3 SER 33 3.085 0.643 -2.397
212 HG SER 33 HG SER 33 5.347 0.322 -1.632
213 H GLN 34 H GLN 34 0.859 2.671 -2.777
214 HA GLN 34 HA GLN 34 -0.793 2.523 -0.373
215 HB2 GLN 34 HB2 GLN 34 -0.657 4.846 -0.756
216 HB3 GLN 34 HB3 GLN 34 -0.818 4.668 -2.489
217 HG2 GLN 34 HG2 GLN 34 -3.145 4.108 -2.251
218 HG3 GLN 34 HG3 GLN 34 -2.985 4.093 -0.495
219 HE21 GLN 34 HE21 GLN 34 -3.051 5.991 0.615
220 HE22 GLN 34 HE22 GLN 34 -3.356 7.507 -0.118
221 H CYS 35 H CYS 35 -2.675 1.420 -0.591
222 HA CYS 35 HA CYS 35 -3.041 -0.193 -2.910
223 HB2 CYS 35 HB2 CYS 35 -4.879 0.197 -0.542
224 HB3 CYS 35 HB3 CYS 35 -4.941 -1.080 -1.741
225 H LEU 36 H LEU 36 -3.772 0.740 -4.664
226 HA LEU 36 HA LEU 36 -5.931 2.696 -4.497
227 HB2 LEU 36 HB2 LEU 36 -4.112 1.949 -6.799
228 HB3 LEU 36 HB3 LEU 36 -5.397 3.133 -6.885
229 HG LEU 36 HG LEU 36 -2.922 3.359 -5.162
230 HD11 LEU 36 HD11 LEU 36 -3.719 4.815 -7.677
231 HD12 LEU 36 HD12 LEU 36 -2.435 3.612 -7.532
232 HD13 LEU 36 HD13 LEU 36 -2.295 5.155 -6.695
233 HD21 LEU 36 HD21 LEU 36 -4.831 4.462 -4.131
234 HD22 LEU 36 HD22 LEU 36 -5.184 5.300 -5.637
235 HD23 LEU 36 HD23 LEU 36 -3.698 5.657 -4.758
236 H1 MAN 101 H1 MAN 101 10.503 -5.021 7.846
237 H2 MAN 101 H2 MAN 101 11.101 -2.528 7.188
238 H3 MAN 101 H3 MAN 101 12.527 -2.193 5.487
239 H4 MAN 101 H4 MAN 101 11.982 -3.582 3.436
240 H5 MAN 101 H5 MAN 101 9.783 -5.096 4.201
241 H61 MAN 101 H61 MAN 101 11.527 -5.789 2.606
242 H62 MAN 101 H62 MAN 101 11.076 -7.086 3.725
243 HO2 MAN 101 HO2 MAN 101 12.151 -3.928 8.668
244 HO3 MAN 101 HO3 MAN 101 13.889 -3.789 6.364
245 HO4 MAN 101 HO4 MAN 101 9.781 -2.947 3.479
246 HO6 MAN 101 HO6 MAN 101 13.089 -5.593 4.785
Start of MODEL 15
1 H1 THR 1 H1 THR 1 -7.115 -8.290 5.728
2 H2 THR 1 H2 THR 1 -5.463 -8.424 6.027
3 H3 THR 1 H3 THR 1 -6.286 -9.614 5.106
4 HA THR 1 HA THR 1 -5.016 -8.126 3.676
5 HB THR 1 HB THR 1 -7.933 -7.529 3.273
6 HG1 THR 1 HG1 THR 1 -7.222 -10.073 2.533
7 HG21 THR 1 HG21 THR 1 -5.784 -8.745 1.552
8 HG22 THR 1 HG22 THR 1 -6.245 -7.045 1.557
9 HG23 THR 1 HG23 THR 1 -7.393 -8.267 1.014
10 H GLN 2 H GLN 2 -4.487 -5.886 3.201
11 HA GLN 2 HA GLN 2 -5.359 -4.113 5.314
12 HB2 GLN 2 HB2 GLN 2 -2.967 -4.172 4.612
13 HB3 GLN 2 HB3 GLN 2 -3.447 -3.473 3.068
14 HG2 GLN 2 HG2 GLN 2 -4.359 -1.515 4.272
15 HG3 GLN 2 HG3 GLN 2 -3.794 -2.199 5.780
16 HE21 GLN 2 HE21 GLN 2 -2.028 -2.319 2.787
17 HE22 GLN 2 HE22 GLN 2 -0.792 -1.239 3.345
18 H SER 3 H SER 3 -6.326 -2.170 5.083
19 HA SER 3 HA SER 3 -8.525 -1.954 3.417
20 HB2 SER 3 HB2 SER 3 -7.031 0.040 5.023
21 HB3 SER 3 HB3 SER 3 -8.730 0.210 4.517
22 HG SER 3 HG SER 3 -8.853 -1.985 5.647
23 H HIS 4 H HIS 4 -9.031 -0.123 2.070
24 HA HIS 4 HA HIS 4 -7.202 0.541 -0.012
25 HB2 HIS 4 HB2 HIS 4 -9.744 0.360 -0.151
26 HB3 HIS 4 HB3 HIS 4 -9.828 1.854 0.759
27 HD1 HIS 4 HD1 HIS 4 -11.201 2.631 -1.392
28 HD2 HIS 4 HD2 HIS 4 -7.165 1.980 -1.996
29 HE1 HIS 4 HE1 HIS 4 -10.696 3.639 -3.627
30 HE2 HIS 4 HE2 HIS 4 -8.413 2.662 -4.087
31 H TYR 5 H TYR 5 -5.996 2.459 -0.202
32 HA TYR 5 HA TYR 5 -4.932 4.294 0.349
33 HB2 TYR 5 HB2 TYR 5 -7.351 4.852 2.075
34 HB3 TYR 5 HB3 TYR 5 -5.989 5.962 1.987
35 HD1 TYR 5 HD1 TYR 5 -5.381 6.955 -0.218
36 HD2 TYR 5 HD2 TYR 5 -8.995 4.812 0.360
37 HE1 TYR 5 HE1 TYR 5 -6.287 7.966 -2.259
38 HE2 TYR 5 HE2 TYR 5 -9.917 5.817 -1.690
39 HH TYR 5 HH TYR 5 -9.583 7.759 -3.080
40 H GLY 6 H GLY 6 -4.670 1.767 1.814
41 HA2 GLY 6 HA2 GLY 6 -3.190 2.801 4.120
42 HA3 GLY 6 HA3 GLY 6 -3.571 1.103 3.805
43 H GLN 7 H GLN 7 -0.928 2.458 4.256
44 HA GLN 7 HA GLN 7 0.396 2.393 1.763
45 HB2 GLN 7 HB2 GLN 7 1.287 3.678 3.661
46 HB3 GLN 7 HB3 GLN 7 1.507 2.193 4.574
47 HG2 GLN 7 HG2 GLN 7 3.232 1.460 3.160
48 HG3 GLN 7 HG3 GLN 7 2.912 2.700 1.955
49 HE21 GLN 7 HE21 GLN 7 5.412 2.152 3.275
50 HE22 GLN 7 HE22 GLN 7 5.815 3.559 4.164
51 H CYS 8 H CYS 8 0.621 0.597 0.666
52 HA CYS 8 HA CYS 8 0.024 -1.942 1.793
53 HB2 CYS 8 HB2 CYS 8 0.605 -2.759 -0.518
54 HB3 CYS 8 HB3 CYS 8 -0.701 -1.581 -0.401
55 H GLY 9 H GLY 9 2.999 -0.518 0.527
56 HA2 GLY 9 HA2 GLY 9 4.668 -1.900 2.229
57 HA3 GLY 9 HA3 GLY 9 4.414 -2.950 0.842
58 H GLY 10 H GLY 10 5.642 0.043 1.938
59 HA2 GLY 10 HA2 GLY 10 7.262 0.197 -0.489
60 HA3 GLY 10 HA3 GLY 10 6.889 1.584 0.546
61 H ILE 11 H ILE 11 9.466 1.306 0.223
62 HA ILE 11 HA ILE 11 10.713 -0.516 1.994
63 HB ILE 11 HB ILE 11 11.763 2.158 0.981
64 HG12 ILE 11 HG12 ILE 11 12.149 -0.637 -0.134
65 HG13 ILE 11 HG13 ILE 11 11.114 0.596 -0.831
66 HG21 ILE 11 HG21 ILE 11 13.015 1.336 2.922
67 HG22 ILE 11 HG22 ILE 11 13.995 1.227 1.460
68 HG23 ILE 11 HG23 ILE 11 13.245 -0.220 2.130
69 HD11 ILE 11 HD11 ILE 11 14.105 0.758 -0.547
70 HD12 ILE 11 HD12 ILE 11 13.070 1.992 -1.270
71 HD13 ILE 11 HD13 ILE 11 13.222 0.409 -2.031
72 H GLY 12 H GLY 12 10.576 -0.498 4.130
73 HA2 GLY 12 HA2 GLY 12 10.984 0.723 6.208
74 HA3 GLY 12 HA3 GLY 12 10.192 2.106 5.463
75 H TYR 13 H TYR 13 8.336 -0.135 4.300
76 HA TYR 13 HA TYR 13 6.541 -0.027 6.583
77 HB2 TYR 13 HB2 TYR 13 5.665 0.720 4.351
78 HB3 TYR 13 HB3 TYR 13 5.905 -0.924 3.762
79 HD1 TYR 13 HD1 TYR 13 3.951 1.194 6.043
80 HD2 TYR 13 HD2 TYR 13 4.372 -2.706 4.399
81 HE1 TYR 13 HE1 TYR 13 1.759 0.584 6.953
82 HE2 TYR 13 HE2 TYR 13 2.185 -3.334 5.287
83 HH TYR 13 HH TYR 13 -0.063 -1.168 6.338
84 H SER 14 H SER 14 6.024 -1.769 7.678
85 HA SER 14 HA SER 14 6.845 -4.394 6.701
86 HB2 SER 14 HB2 SER 14 7.309 -3.230 9.456
87 HB3 SER 14 HB3 SER 14 7.727 -4.866 8.936
88 H GLY 15 H GLY 15 4.763 -5.027 6.300
89 HA2 GLY 15 HA2 GLY 15 3.213 -5.970 8.381
90 HA3 GLY 15 HA3 GLY 15 2.560 -4.402 7.899
91 HA PRO 16 HA PRO 16 0.497 -7.481 5.238
92 HB2 PRO 16 HB2 PRO 16 -1.702 -5.571 5.223
93 HB3 PRO 16 HB3 PRO 16 -1.671 -7.222 5.835
94 HG2 PRO 16 HG2 PRO 16 -1.861 -5.081 7.479
95 HG3 PRO 16 HG3 PRO 16 -1.048 -6.584 7.949
96 HD2 PRO 16 HD2 PRO 16 0.133 -4.011 6.977
97 HD3 PRO 16 HD3 PRO 16 0.660 -5.071 8.306
98 H THR 17 H THR 17 1.471 -7.288 3.299
99 HA THR 17 HA THR 17 1.414 -4.806 1.838
100 HB THR 17 HB THR 17 2.741 -6.095 0.149
101 HG1 THR 17 HG1 THR 17 2.622 -8.187 0.293
102 HG21 THR 17 HG21 THR 17 3.856 -4.840 1.944
103 HG22 THR 17 HG22 THR 17 4.752 -6.319 1.578
104 HG23 THR 17 HG23 THR 17 3.715 -6.232 3.005
105 H VAL 18 H VAL 18 -0.524 -7.509 2.133
106 HA VAL 18 HA VAL 18 -1.461 -7.539 -0.599
107 HB VAL 18 HB VAL 18 -2.564 -9.029 1.807
108 HG11 VAL 18 HG11 VAL 18 -2.978 -9.471 -1.142
109 HG12 VAL 18 HG12 VAL 18 -4.164 -8.828 -0.006
110 HG13 VAL 18 HG13 VAL 18 -3.608 -10.495 0.147
111 HG21 VAL 18 HG21 VAL 18 -0.254 -9.666 1.399
112 HG22 VAL 18 HG22 VAL 18 -0.611 -9.940 -0.303
113 HG23 VAL 18 HG23 VAL 18 -1.334 -10.979 0.924
114 H CYS 19 H CYS 19 -2.874 -6.122 -1.289
115 HA CYS 19 HA CYS 19 -4.336 -4.495 0.584
116 HB2 CYS 19 HB2 CYS 19 -4.236 -4.368 -2.431
117 HB3 CYS 19 HB3 CYS 19 -4.926 -3.168 -1.334
118 H ALA 20 H ALA 20 -6.557 -4.161 0.508
119 HA ALA 20 HA ALA 20 -8.215 -6.320 0.566
120 HB1 ALA 20 HB1 ALA 20 -8.697 -4.160 1.586
121 HB2 ALA 20 HB2 ALA 20 -10.038 -4.726 0.599
122 HB3 ALA 20 HB3 ALA 20 -8.963 -3.464 -0.011
123 H SER 21 H SER 21 -9.810 -7.130 -0.743
124 HA SER 21 HA SER 21 -9.277 -7.543 -3.395
125 HB2 SER 21 HB2 SER 21 -11.931 -7.660 -1.958
126 HB3 SER 21 HB3 SER 21 -11.502 -8.534 -3.426
127 HG SER 21 HG SER 21 -10.255 -9.850 -2.338
128 H GLY 22 H GLY 22 -9.221 -6.041 -4.932
129 HA2 GLY 22 HA2 GLY 22 -10.559 -4.738 -6.471
130 HA3 GLY 22 HA3 GLY 22 -11.425 -4.097 -5.078
131 H THR 23 H THR 23 -8.268 -4.216 -4.137
132 HA THR 23 HA THR 23 -7.644 -1.577 -5.268
133 HB THR 23 HB THR 23 -6.756 -0.838 -3.022
134 HG1 THR 23 HG1 THR 23 -7.520 -3.450 -2.347
135 HG21 THR 23 HG21 THR 23 -8.898 -0.558 -1.896
136 HG22 THR 23 HG22 THR 23 -9.613 -1.803 -2.925
137 HG23 THR 23 HG23 THR 23 -9.069 -0.284 -3.629
138 H THR 24 H THR 24 -5.401 -1.200 -5.633
139 HA THR 24 HA THR 24 -3.775 -3.612 -5.286
140 HB THR 24 HB THR 24 -2.577 -2.840 -7.407
141 HG1 THR 24 HG1 THR 24 -5.040 -1.473 -7.772
142 HG21 THR 24 HG21 THR 24 -4.221 -3.965 -8.874
143 HG22 THR 24 HG22 THR 24 -5.417 -3.859 -7.578
144 HG23 THR 24 HG23 THR 24 -3.967 -4.836 -7.364
145 H CYS 25 H CYS 25 -1.598 -3.352 -4.910
146 HA CYS 25 HA CYS 25 -0.880 -1.029 -3.413
147 HB2 CYS 25 HB2 CYS 25 -0.064 -3.264 -2.788
148 HB3 CYS 25 HB3 CYS 25 0.750 -3.408 -4.342
149 H GLN 26 H GLN 26 -0.191 0.812 -4.359
150 HA GLN 26 HA GLN 26 1.278 0.513 -6.864
151 HB2 GLN 26 HB2 GLN 26 -0.630 2.719 -6.092
152 HB3 GLN 26 HB3 GLN 26 0.333 2.685 -7.565
153 HG2 GLN 26 HG2 GLN 26 -0.808 0.633 -8.266
154 HG3 GLN 26 HG3 GLN 26 -1.761 0.663 -6.790
155 HE21 GLN 26 HE21 GLN 26 -3.683 0.759 -7.886
156 HE22 GLN 26 HE22 GLN 26 -4.194 2.190 -8.709
157 H VAL 27 H VAL 27 3.213 1.306 -6.915
158 HA VAL 27 HA VAL 27 4.315 2.543 -4.578
159 HB VAL 27 HB VAL 27 5.605 1.894 -7.250
160 HG11 VAL 27 HG11 VAL 27 6.876 2.617 -4.606
161 HG12 VAL 27 HG12 VAL 27 6.859 3.608 -6.058
162 HG13 VAL 27 HG13 VAL 27 7.747 2.082 -6.042
163 HG21 VAL 27 HG21 VAL 27 6.552 -0.052 -6.109
164 HG22 VAL 27 HG22 VAL 27 4.787 -0.111 -6.121
165 HG23 VAL 27 HG23 VAL 27 5.649 0.356 -4.653
166 H LEU 28 H LEU 28 3.762 4.580 -4.323
167 HA LEU 28 HA LEU 28 3.512 6.388 -6.574
168 HB2 LEU 28 HB2 LEU 28 3.219 6.916 -3.611
169 HB3 LEU 28 HB3 LEU 28 2.769 8.011 -4.901
170 HG LEU 28 HG LEU 28 1.459 5.353 -4.308
171 HD11 LEU 28 HD11 LEU 28 -0.472 6.707 -3.682
172 HD12 LEU 28 HD12 LEU 28 0.483 8.172 -3.903
173 HD13 LEU 28 HD13 LEU 28 0.919 7.011 -2.642
174 HD21 LEU 28 HD21 LEU 28 0.786 7.460 -6.346
175 HD22 LEU 28 HD22 LEU 28 -0.195 6.044 -5.973
176 HD23 LEU 28 HD23 LEU 28 1.411 5.844 -6.687
177 H ASN 29 H ASN 29 5.452 6.000 -3.667
178 HA ASN 29 HA ASN 29 7.561 7.700 -4.803
179 HB2 ASN 29 HB2 ASN 29 6.663 7.626 -1.886
180 HB3 ASN 29 HB3 ASN 29 7.980 8.576 -2.528
181 HD21 ASN 29 HD21 ASN 29 5.590 9.399 -1.090
182 HD22 ASN 29 HD22 ASN 29 4.789 10.541 -2.099
183 HA PRO 30 HA PRO 30 10.277 4.325 -3.808
184 HB2 PRO 30 HB2 PRO 30 11.741 5.851 -1.711
185 HB3 PRO 30 HB3 PRO 30 12.377 5.027 -3.137
186 HG2 PRO 30 HG2 PRO 30 12.218 7.669 -3.071
187 HG3 PRO 30 HG3 PRO 30 11.824 6.778 -4.552
188 HD2 PRO 30 HD2 PRO 30 9.999 8.032 -2.547
189 HD3 PRO 30 HD3 PRO 30 9.847 7.984 -4.313
190 H TYR 31 H TYR 31 9.454 6.044 -0.804
191 HA TYR 31 HA TYR 31 9.403 3.467 0.577
192 HB2 TYR 31 HB2 TYR 31 9.100 6.246 1.741
193 HB3 TYR 31 HB3 TYR 31 9.360 4.755 2.629
194 HD1 TYR 31 HD1 TYR 31 10.969 7.350 0.568
195 HD2 TYR 31 HD2 TYR 31 11.590 3.747 2.742
196 HE1 TYR 31 HE1 TYR 31 13.383 7.739 0.509
197 HE2 TYR 31 HE2 TYR 31 14.014 4.127 2.684
198 HH TYR 31 HH TYR 31 15.380 7.106 1.742
199 H TYR 32 H TYR 32 7.323 5.963 -0.638
200 HA TYR 32 HA TYR 32 5.091 4.959 0.931
201 HB2 TYR 32 HB2 TYR 32 5.497 7.440 0.631
202 HB3 TYR 32 HB3 TYR 32 4.960 7.224 -1.036
203 HD1 TYR 32 HD1 TYR 32 3.877 6.392 2.397
204 HD2 TYR 32 HD2 TYR 32 2.694 7.629 -1.494
205 HE1 TYR 32 HE1 TYR 32 1.594 6.667 3.199
206 HE2 TYR 32 HE2 TYR 32 0.379 7.910 -0.682
207 HH TYR 32 HH TYR 32 -1.041 7.115 1.165
208 H SER 33 H SER 33 4.018 3.328 0.180
209 HA SER 33 HA SER 33 3.198 3.342 -2.615
210 HB2 SER 33 HB2 SER 33 4.115 0.882 -1.070
211 HB3 SER 33 HB3 SER 33 3.636 0.942 -2.769
212 HG SER 33 HG SER 33 5.505 2.755 -2.458
213 H GLN 34 H GLN 34 0.981 3.014 -2.713
214 HA GLN 34 HA GLN 34 -0.317 2.251 -0.198
215 HB2 GLN 34 HB2 GLN 34 -0.313 4.619 -0.144
216 HB3 GLN 34 HB3 GLN 34 -0.821 4.771 -1.807
217 HG2 GLN 34 HG2 GLN 34 -3.012 3.875 -1.201
218 HG3 GLN 34 HG3 GLN 34 -2.480 3.691 0.467
219 HE21 GLN 34 HE21 GLN 34 -2.339 5.504 1.774
220 HE22 GLN 34 HE22 GLN 34 -3.004 7.015 1.307
221 H CYS 35 H CYS 35 -2.351 1.277 -0.352
222 HA CYS 35 HA CYS 35 -2.915 -0.095 -2.785
223 HB2 CYS 35 HB2 CYS 35 -4.674 0.090 -0.329
224 HB3 CYS 35 HB3 CYS 35 -4.691 -1.102 -1.594
225 H LEU 36 H LEU 36 -3.872 0.896 -4.394
226 HA LEU 36 HA LEU 36 -5.986 2.833 -3.858
227 HB2 LEU 36 HB2 LEU 36 -4.131 2.622 -6.239
228 HB3 LEU 36 HB3 LEU 36 -5.470 3.745 -6.109
229 HG LEU 36 HG LEU 36 -3.002 3.743 -4.355
230 HD11 LEU 36 HD11 LEU 36 -2.457 5.829 -5.505
231 HD12 LEU 36 HD12 LEU 36 -3.842 5.593 -6.577
232 HD13 LEU 36 HD13 LEU 36 -2.495 4.454 -6.607
233 HD21 LEU 36 HD21 LEU 36 -3.862 5.883 -3.518
234 HD22 LEU 36 HD22 LEU 36 -4.955 4.561 -3.143
235 HD23 LEU 36 HD23 LEU 36 -5.333 5.667 -4.467
236 H1 MAN 101 H1 MAN 101 10.689 -2.497 8.573
237 H2 MAN 101 H2 MAN 101 9.122 -4.307 10.513
238 H3 MAN 101 H3 MAN 101 9.541 -2.720 12.076
239 H4 MAN 101 H4 MAN 101 11.937 -1.896 10.372
240 H5 MAN 101 H5 MAN 101 9.468 -0.239 11.106
241 H61 MAN 101 H61 MAN 101 11.259 1.013 10.053
242 H62 MAN 101 H62 MAN 101 9.926 0.816 8.904
243 HO2 MAN 101 HO2 MAN 101 11.264 -4.986 10.822
244 HO3 MAN 101 HO3 MAN 101 11.612 -3.214 12.973
245 HO4 MAN 101 HO4 MAN 101 12.085 -0.230 11.968
246 HO6 MAN 101 HO6 MAN 101 12.335 0.278 8.327
Start of MODEL 16
1 H1 THR 1 H1 THR 1 -5.289 -8.710 5.088
2 H2 THR 1 H2 THR 1 -6.117 -9.683 3.964
3 H3 THR 1 H3 THR 1 -6.942 -8.492 4.844
4 HA THR 1 HA THR 1 -4.849 -7.915 2.910
5 HB THR 1 HB THR 1 -6.807 -6.950 1.646
6 HG1 THR 1 HG1 THR 1 -8.879 -7.959 2.235
7 HG21 THR 1 HG21 THR 1 -5.788 -9.067 0.950
8 HG22 THR 1 HG22 THR 1 -7.530 -9.099 0.690
9 HG23 THR 1 HG23 THR 1 -6.827 -9.947 2.069
10 H GLN 2 H GLN 2 -4.628 -5.602 2.587
11 HA GLN 2 HA GLN 2 -5.292 -4.146 5.013
12 HB2 GLN 2 HB2 GLN 2 -2.947 -4.166 4.008
13 HB3 GLN 2 HB3 GLN 2 -3.599 -3.135 2.740
14 HG2 GLN 2 HG2 GLN 2 -4.367 -1.568 4.537
15 HG3 GLN 2 HG3 GLN 2 -3.452 -2.546 5.674
16 HE21 GLN 2 HE21 GLN 2 -1.250 -3.014 3.756
17 HE22 GLN 2 HE22 GLN 2 -0.500 -1.453 3.682
18 H SER 3 H SER 3 -6.077 -1.976 4.911
19 HA SER 3 HA SER 3 -8.444 -1.578 3.548
20 HB2 SER 3 HB2 SER 3 -6.644 0.368 4.929
21 HB3 SER 3 HB3 SER 3 -8.405 0.478 4.765
22 HG SER 3 HG SER 3 -7.961 -0.319 6.769
23 H HIS 4 H HIS 4 -8.945 0.336 2.278
24 HA HIS 4 HA HIS 4 -7.115 0.860 0.099
25 HB2 HIS 4 HB2 HIS 4 -9.636 0.595 -0.158
26 HB3 HIS 4 HB3 HIS 4 -9.821 2.086 0.736
27 HD1 HIS 4 HD1 HIS 4 -10.860 3.453 -1.080
28 HD2 HIS 4 HD2 HIS 4 -7.319 1.687 -2.282
29 HE1 HIS 4 HE1 HIS 4 -10.416 4.356 -3.378
30 HE2 HIS 4 HE2 HIS 4 -8.506 2.954 -4.191
31 H TYR 5 H TYR 5 -5.895 2.715 -0.079
32 HA TYR 5 HA TYR 5 -4.806 4.533 0.484
33 HB2 TYR 5 HB2 TYR 5 -7.352 5.281 1.893
34 HB3 TYR 5 HB3 TYR 5 -5.924 6.301 2.037
35 HD1 TYR 5 HD1 TYR 5 -8.631 5.204 -0.157
36 HD2 TYR 5 HD2 TYR 5 -5.027 7.432 0.075
37 HE1 TYR 5 HE1 TYR 5 -9.167 6.303 -2.288
38 HE2 TYR 5 HE2 TYR 5 -5.551 8.526 -2.040
39 HH TYR 5 HH TYR 5 -8.596 8.402 -3.439
40 H GLY 6 H GLY 6 -3.715 2.681 1.455
41 HA2 GLY 6 HA2 GLY 6 -2.636 3.644 3.927
42 HA3 GLY 6 HA3 GLY 6 -3.273 1.990 3.948
43 H GLN 7 H GLN 7 -0.540 2.640 4.275
44 HA GLN 7 HA GLN 7 0.772 2.263 1.764
45 HB2 GLN 7 HB2 GLN 7 1.826 3.613 3.506
46 HB3 GLN 7 HB3 GLN 7 1.836 2.237 4.594
47 HG2 GLN 7 HG2 GLN 7 3.447 1.105 3.220
48 HG3 GLN 7 HG3 GLN 7 3.378 2.371 2.000
49 HE21 GLN 7 HE21 GLN 7 5.666 2.842 2.236
50 HE22 GLN 7 HE22 GLN 7 6.230 3.591 3.667
51 H CYS 8 H CYS 8 0.732 0.421 0.816
52 HA CYS 8 HA CYS 8 0.001 -2.018 2.071
53 HB2 CYS 8 HB2 CYS 8 0.557 -2.979 -0.196
54 HB3 CYS 8 HB3 CYS 8 -0.672 -1.716 -0.162
55 H GLY 9 H GLY 9 2.997 -0.855 0.667
56 HA2 GLY 9 HA2 GLY 9 4.627 -2.199 2.483
57 HA3 GLY 9 HA3 GLY 9 4.453 -3.172 1.023
58 H GLY 10 H GLY 10 5.543 -0.216 2.343
59 HA2 GLY 10 HA2 GLY 10 6.998 0.257 -0.145
60 HA3 GLY 10 HA3 GLY 10 6.579 1.520 1.017
61 H ILE 11 H ILE 11 9.130 1.383 0.367
62 HA ILE 11 HA ILE 11 10.722 -0.355 1.908
63 HB ILE 11 HB ILE 11 11.409 2.464 0.999
64 HG12 ILE 11 HG12 ILE 11 11.889 -0.176 -0.402
65 HG13 ILE 11 HG13 ILE 11 10.679 1.009 -0.872
66 HG21 ILE 11 HG21 ILE 11 12.944 1.584 2.701
67 HG22 ILE 11 HG22 ILE 11 13.744 1.699 1.134
68 HG23 ILE 11 HG23 ILE 11 13.192 0.132 1.728
69 HD11 ILE 11 HD11 ILE 11 12.474 2.614 -1.366
70 HD12 ILE 11 HD12 ILE 11 12.622 1.135 -2.314
71 HD13 ILE 11 HD13 ILE 11 13.669 1.395 -0.918
72 H GLY 12 H GLY 12 10.662 -0.488 4.028
73 HA2 GLY 12 HA2 GLY 12 11.297 0.481 6.131
74 HA3 GLY 12 HA3 GLY 12 10.541 1.985 5.622
75 H TYR 13 H TYR 13 8.402 -0.080 4.498
76 HA TYR 13 HA TYR 13 6.894 -0.098 7.000
77 HB2 TYR 13 HB2 TYR 13 5.775 1.134 5.200
78 HB3 TYR 13 HB3 TYR 13 5.905 -0.263 4.140
79 HD1 TYR 13 HD1 TYR 13 4.093 1.210 6.976
80 HD2 TYR 13 HD2 TYR 13 4.426 -2.213 4.464
81 HE1 TYR 13 HE1 TYR 13 1.922 0.391 7.795
82 HE2 TYR 13 HE2 TYR 13 2.272 -3.031 5.262
83 HH TYR 13 HH TYR 13 0.109 -1.129 6.963
84 H SER 14 H SER 14 6.352 -1.972 7.887
85 HA SER 14 HA SER 14 6.457 -4.363 6.226
86 HB2 SER 14 HB2 SER 14 7.231 -4.177 9.145
87 HB3 SER 14 HB3 SER 14 7.348 -5.617 8.143
88 H GLY 15 H GLY 15 4.558 -5.496 6.267
89 HA2 GLY 15 HA2 GLY 15 2.903 -5.952 8.353
90 HA3 GLY 15 HA3 GLY 15 2.386 -4.384 7.739
91 HA PRO 16 HA PRO 16 0.063 -7.532 5.323
92 HB2 PRO 16 HB2 PRO 16 -2.042 -5.508 5.244
93 HB3 PRO 16 HB3 PRO 16 -2.102 -7.138 5.915
94 HG2 PRO 16 HG2 PRO 16 -2.152 -4.905 7.455
95 HG3 PRO 16 HG3 PRO 16 -1.473 -6.448 8.000
96 HD2 PRO 16 HD2 PRO 16 -0.070 -4.002 7.011
97 HD3 PRO 16 HD3 PRO 16 0.380 -5.109 8.326
98 H THR 17 H THR 17 1.229 -7.373 3.468
99 HA THR 17 HA THR 17 1.345 -4.964 1.950
100 HB THR 17 HB THR 17 2.656 -6.471 0.380
101 HG1 THR 17 HG1 THR 17 3.129 -8.302 2.372
102 HG21 THR 17 HG21 THR 17 4.614 -6.483 1.880
103 HG22 THR 17 HG22 THR 17 3.539 -6.190 3.255
104 HG23 THR 17 HG23 THR 17 3.716 -4.968 2.003
105 H VAL 18 H VAL 18 -0.615 -7.747 1.965
106 HA VAL 18 HA VAL 18 -1.473 -7.427 -0.788
107 HB VAL 18 HB VAL 18 -2.573 -9.285 1.352
108 HG11 VAL 18 HG11 VAL 18 -4.131 -8.898 -0.494
109 HG12 VAL 18 HG12 VAL 18 -3.512 -10.550 -0.522
110 HG13 VAL 18 HG13 VAL 18 -2.881 -9.356 -1.652
111 HG21 VAL 18 HG21 VAL 18 -1.220 -11.045 0.272
112 HG22 VAL 18 HG22 VAL 18 -0.218 -9.762 0.948
113 HG23 VAL 18 HG23 VAL 18 -0.512 -9.827 -0.786
114 H CYS 19 H CYS 19 -3.086 -6.101 -1.304
115 HA CYS 19 HA CYS 19 -4.489 -4.786 0.857
116 HB2 CYS 19 HB2 CYS 19 -4.608 -4.157 -2.100
117 HB3 CYS 19 HB3 CYS 19 -5.030 -3.138 -0.723
118 H ALA 20 H ALA 20 -6.850 -4.333 0.533
119 HA ALA 20 HA ALA 20 -8.376 -6.665 0.379
120 HB1 ALA 20 HB1 ALA 20 -9.064 -4.649 1.597
121 HB2 ALA 20 HB2 ALA 20 -10.313 -5.185 0.473
122 HB3 ALA 20 HB3 ALA 20 -9.294 -3.806 0.065
123 H SER 21 H SER 21 -10.115 -7.186 -1.117
124 HA SER 21 HA SER 21 -9.250 -7.440 -3.744
125 HB2 SER 21 HB2 SER 21 -12.093 -7.578 -2.723
126 HB3 SER 21 HB3 SER 21 -11.408 -8.409 -4.122
127 HG SER 21 HG SER 21 -11.622 -9.385 -1.790
128 H GLY 22 H GLY 22 -9.160 -5.913 -5.282
129 HA2 GLY 22 HA2 GLY 22 -10.354 -4.340 -6.680
130 HA3 GLY 22 HA3 GLY 22 -11.149 -3.746 -5.233
131 H THR 23 H THR 23 -8.448 -4.045 -3.849
132 HA THR 23 HA THR 23 -7.387 -1.495 -4.839
133 HB THR 23 HB THR 23 -6.541 -1.066 -2.503
134 HG1 THR 23 HG1 THR 23 -7.461 -3.686 -2.165
135 HG21 THR 23 HG21 THR 23 -8.683 -0.798 -1.391
136 HG22 THR 23 HG22 THR 23 -9.443 -1.886 -2.551
137 HG23 THR 23 HG23 THR 23 -8.812 -0.325 -3.085
138 H THR 24 H THR 24 -5.203 -1.301 -5.172
139 HA THR 24 HA THR 24 -3.692 -3.817 -5.078
140 HB THR 24 HB THR 24 -2.564 -2.966 -7.180
141 HG1 THR 24 HG1 THR 24 -4.613 -1.032 -6.896
142 HG21 THR 24 HG21 THR 24 -4.363 -3.746 -8.664
143 HG22 THR 24 HG22 THR 24 -5.523 -3.575 -7.348
144 HG23 THR 24 HG23 THR 24 -4.235 -4.772 -7.238
145 H CYS 25 H CYS 25 -1.504 -3.637 -4.616
146 HA CYS 25 HA CYS 25 -0.683 -1.331 -3.149
147 HB2 CYS 25 HB2 CYS 25 0.028 -3.627 -2.521
148 HB3 CYS 25 HB3 CYS 25 0.887 -3.772 -4.048
149 H GLN 26 H GLN 26 -0.195 0.480 -4.266
150 HA GLN 26 HA GLN 26 1.385 0.164 -6.719
151 HB2 GLN 26 HB2 GLN 26 -0.560 2.352 -6.001
152 HB3 GLN 26 HB3 GLN 26 0.422 2.308 -7.459
153 HG2 GLN 26 HG2 GLN 26 -0.720 0.268 -8.162
154 HG3 GLN 26 HG3 GLN 26 -1.712 0.319 -6.708
155 HE21 GLN 26 HE21 GLN 26 -3.593 0.474 -7.840
156 HE22 GLN 26 HE22 GLN 26 -4.086 1.879 -8.694
157 H VAL 27 H VAL 27 3.271 1.125 -6.806
158 HA VAL 27 HA VAL 27 4.299 2.495 -4.500
159 HB VAL 27 HB VAL 27 5.554 2.086 -7.240
160 HG11 VAL 27 HG11 VAL 27 7.691 2.494 -6.109
161 HG12 VAL 27 HG12 VAL 27 6.829 2.816 -4.604
162 HG13 VAL 27 HG13 VAL 27 6.620 3.890 -5.986
163 HG21 VAL 27 HG21 VAL 27 5.005 -0.043 -6.170
164 HG22 VAL 27 HG22 VAL 27 5.868 0.459 -4.718
165 HG23 VAL 27 HG23 VAL 27 6.751 0.206 -6.227
166 H LEU 28 H LEU 28 3.710 4.519 -4.150
167 HA LEU 28 HA LEU 28 2.970 6.242 -6.393
168 HB2 LEU 28 HB2 LEU 28 2.796 6.793 -3.430
169 HB3 LEU 28 HB3 LEU 28 2.109 7.755 -4.721
170 HG LEU 28 HG LEU 28 1.223 5.003 -3.866
171 HD11 LEU 28 HD11 LEU 28 -0.101 7.702 -3.707
172 HD12 LEU 28 HD12 LEU 28 0.527 6.760 -2.353
173 HD13 LEU 28 HD13 LEU 28 -0.850 6.169 -3.279
174 HD21 LEU 28 HD21 LEU 28 1.023 5.252 -6.276
175 HD22 LEU 28 HD22 LEU 28 0.157 6.783 -6.038
176 HD23 LEU 28 HD23 LEU 28 -0.559 5.262 -5.490
177 H ASN 29 H ASN 29 5.159 6.063 -3.675
178 HA ASN 29 HA ASN 29 6.875 8.118 -4.860
179 HB2 ASN 29 HB2 ASN 29 6.190 7.787 -1.903
180 HB3 ASN 29 HB3 ASN 29 7.384 8.887 -2.559
181 HD21 ASN 29 HD21 ASN 29 4.984 9.427 -0.937
182 HD22 ASN 29 HD22 ASN 29 4.077 10.550 -1.863
183 HA PRO 30 HA PRO 30 10.197 5.203 -4.400
184 HB2 PRO 30 HB2 PRO 30 11.440 6.937 -2.300
185 HB3 PRO 30 HB3 PRO 30 12.183 6.197 -3.723
186 HG2 PRO 30 HG2 PRO 30 11.582 8.761 -3.786
187 HG3 PRO 30 HG3 PRO 30 11.218 7.739 -5.190
188 HD2 PRO 30 HD2 PRO 30 9.381 8.792 -3.083
189 HD3 PRO 30 HD3 PRO 30 9.092 8.637 -4.826
190 H TYR 31 H TYR 31 9.243 6.469 -1.191
191 HA TYR 31 HA TYR 31 9.664 3.761 -0.128
192 HB2 TYR 31 HB2 TYR 31 9.310 6.385 1.335
193 HB3 TYR 31 HB3 TYR 31 9.500 4.826 2.110
194 HD1 TYR 31 HD1 TYR 31 11.640 3.938 2.512
195 HD2 TYR 31 HD2 TYR 31 11.246 7.289 -0.069
196 HE1 TYR 31 HE1 TYR 31 14.078 4.204 2.497
197 HE2 TYR 31 HE2 TYR 31 13.685 7.562 -0.088
198 HH TYR 31 HH TYR 31 15.800 5.166 1.169
199 H TYR 32 H TYR 32 7.204 6.086 -0.863
200 HA TYR 32 HA TYR 32 5.333 4.635 0.807
201 HB2 TYR 32 HB2 TYR 32 5.343 7.165 0.775
202 HB3 TYR 32 HB3 TYR 32 4.631 7.053 -0.836
203 HD1 TYR 32 HD1 TYR 32 2.271 6.800 -1.089
204 HD2 TYR 32 HD2 TYR 32 4.128 5.978 2.662
205 HE1 TYR 32 HE1 TYR 32 0.071 6.530 -0.039
206 HE2 TYR 32 HE2 TYR 32 1.929 5.699 3.698
207 HH TYR 32 HH TYR 32 -0.364 6.421 3.303
208 H SER 33 H SER 33 4.358 2.959 0.067
209 HA SER 33 HA SER 33 3.327 3.008 -2.668
210 HB2 SER 33 HB2 SER 33 4.136 0.574 -1.030
211 HB3 SER 33 HB3 SER 33 3.661 0.596 -2.731
212 HG SER 33 HG SER 33 5.608 2.303 -2.574
213 H GLN 34 H GLN 34 1.087 2.655 -2.749
214 HA GLN 34 HA GLN 34 -0.226 2.248 -0.144
215 HB2 GLN 34 HB2 GLN 34 -0.119 4.604 -0.542
216 HB3 GLN 34 HB3 GLN 34 -0.764 4.412 -2.164
217 HG2 GLN 34 HG2 GLN 34 -2.912 3.762 -1.256
218 HG3 GLN 34 HG3 GLN 34 -2.271 3.836 0.383
219 HE21 GLN 34 HE21 GLN 34 -1.905 5.852 1.329
220 HE22 GLN 34 HE22 GLN 34 -2.544 7.294 0.672
221 H CYS 35 H CYS 35 -2.227 1.255 -0.176
222 HA CYS 35 HA CYS 35 -2.887 -0.311 -2.455
223 HB2 CYS 35 HB2 CYS 35 -4.454 0.105 0.104
224 HB3 CYS 35 HB3 CYS 35 -4.714 -1.110 -1.119
225 H LEU 36 H LEU 36 -3.696 0.699 -4.113
226 HA LEU 36 HA LEU 36 -5.977 2.490 -3.740
227 HB2 LEU 36 HB2 LEU 36 -3.965 2.366 -5.993
228 HB3 LEU 36 HB3 LEU 36 -5.431 3.322 -6.043
229 HG LEU 36 HG LEU 36 -3.119 3.732 -4.141
230 HD11 LEU 36 HD11 LEU 36 -2.604 4.380 -6.431
231 HD12 LEU 36 HD12 LEU 36 -2.771 5.797 -5.395
232 HD13 LEU 36 HD13 LEU 36 -4.073 5.351 -6.492
233 HD21 LEU 36 HD21 LEU 36 -4.310 5.781 -3.498
234 HD22 LEU 36 HD22 LEU 36 -5.230 4.339 -3.091
235 HD23 LEU 36 HD23 LEU 36 -5.676 5.300 -4.502
236 H1 MAN 101 H1 MAN 101 8.380 -3.880 5.767
237 H2 MAN 101 H2 MAN 101 8.404 -6.461 6.742
238 H3 MAN 101 H3 MAN 101 10.372 -7.623 6.307
239 H4 MAN 101 H4 MAN 101 12.301 -6.351 7.163
240 H5 MAN 101 H5 MAN 101 11.541 -3.818 7.751
241 H61 MAN 101 H61 MAN 101 12.854 -3.061 5.852
242 H62 MAN 101 H62 MAN 101 12.650 -4.627 5.021
243 HO2 MAN 101 HO2 MAN 101 9.234 -5.564 4.205
244 HO3 MAN 101 HO3 MAN 101 11.969 -6.818 4.863
245 HO4 MAN 101 HO4 MAN 101 11.265 -5.574 9.049
246 HO6 MAN 101 HO6 MAN 101 14.603 -4.779 6.028
Start of MODEL 17
1 H1 THR 1 H1 THR 1 -5.663 -8.050 6.290
2 H2 THR 1 H2 THR 1 -4.006 -7.861 6.075
3 H3 THR 1 H3 THR 1 -4.820 -9.232 5.467
4 HA THR 1 HA THR 1 -4.390 -7.631 3.702
5 HB THR 1 HB THR 1 -7.321 -7.921 4.378
6 HG1 THR 1 HG1 THR 1 -6.659 -10.094 3.174
7 HG21 THR 1 HG21 THR 1 -5.773 -8.251 1.801
8 HG22 THR 1 HG22 THR 1 -6.718 -6.833 2.243
9 HG23 THR 1 HG23 THR 1 -7.521 -8.380 1.981
10 H GLN 2 H GLN 2 -4.368 -5.429 3.199
11 HA GLN 2 HA GLN 2 -5.322 -3.721 5.382
12 HB2 GLN 2 HB2 GLN 2 -2.896 -3.755 4.525
13 HB3 GLN 2 HB3 GLN 2 -3.544 -2.834 3.175
14 HG2 GLN 2 HG2 GLN 2 -4.376 -1.133 4.761
15 HG3 GLN 2 HG3 GLN 2 -3.650 -2.042 6.081
16 HE21 GLN 2 HE21 GLN 2 -2.236 -1.596 2.903
17 HE22 GLN 2 HE22 GLN 2 -0.925 -0.650 3.488
18 H SER 3 H SER 3 -6.228 -1.660 4.919
19 HA SER 3 HA SER 3 -8.427 -1.725 3.169
20 HB2 SER 3 HB2 SER 3 -7.246 0.494 4.775
21 HB3 SER 3 HB3 SER 3 -8.934 0.362 4.238
22 HG SER 3 HG SER 3 -9.162 -1.427 5.597
23 H HIS 4 H HIS 4 -8.958 0.027 1.761
24 HA HIS 4 HA HIS 4 -7.165 0.793 -0.273
25 HB2 HIS 4 HB2 HIS 4 -9.696 0.591 -0.404
26 HB3 HIS 4 HB3 HIS 4 -9.802 2.027 0.579
27 HD1 HIS 4 HD1 HIS 4 -11.010 3.453 -1.117
28 HD2 HIS 4 HD2 HIS 4 -7.489 1.850 -2.602
29 HE1 HIS 4 HE1 HIS 4 -10.713 4.481 -3.384
30 HE2 HIS 4 HE2 HIS 4 -8.699 3.398 -4.338
31 H TYR 5 H TYR 5 -5.965 2.691 -0.493
32 HA TYR 5 HA TYR 5 -4.955 4.616 -0.073
33 HB2 TYR 5 HB2 TYR 5 -7.207 5.100 1.851
34 HB3 TYR 5 HB3 TYR 5 -5.875 6.241 1.678
35 HD1 TYR 5 HD1 TYR 5 -9.071 5.264 0.520
36 HD2 TYR 5 HD2 TYR 5 -5.472 7.127 -0.732
37 HE1 TYR 5 HE1 TYR 5 -10.268 6.313 -1.345
38 HE2 TYR 5 HE2 TYR 5 -6.658 8.180 -2.607
39 HH TYR 5 HH TYR 5 -8.650 7.797 -3.924
40 H GLY 6 H GLY 6 -4.744 2.097 1.809
41 HA2 GLY 6 HA2 GLY 6 -3.098 3.432 3.804
42 HA3 GLY 6 HA3 GLY 6 -3.526 1.712 3.815
43 H GLN 7 H GLN 7 -0.915 2.820 4.152
44 HA GLN 7 HA GLN 7 0.565 2.572 1.731
45 HB2 GLN 7 HB2 GLN 7 1.473 3.857 3.614
46 HB3 GLN 7 HB3 GLN 7 1.480 2.415 4.616
47 HG2 GLN 7 HG2 GLN 7 3.138 1.394 3.108
48 HG3 GLN 7 HG3 GLN 7 3.166 2.871 2.151
49 HE21 GLN 7 HE21 GLN 7 5.441 3.185 2.601
50 HE22 GLN 7 HE22 GLN 7 5.935 3.645 4.166
51 H CYS 8 H CYS 8 0.609 0.738 0.697
52 HA CYS 8 HA CYS 8 0.016 -1.743 1.985
53 HB2 CYS 8 HB2 CYS 8 0.382 -2.693 -0.298
54 HB3 CYS 8 HB3 CYS 8 -0.861 -1.454 -0.170
55 H GLY 9 H GLY 9 2.933 -0.297 0.665
56 HA2 GLY 9 HA2 GLY 9 4.666 -1.635 2.288
57 HA3 GLY 9 HA3 GLY 9 4.362 -2.747 0.963
58 H GLY 10 H GLY 10 5.837 0.150 1.961
59 HA2 GLY 10 HA2 GLY 10 7.203 0.282 -0.623
60 HA3 GLY 10 HA3 GLY 10 7.048 1.635 0.506
61 H ILE 11 H ILE 11 9.488 1.499 0.159
62 HA ILE 11 HA ILE 11 10.931 -0.597 1.388
63 HB ILE 11 HB ILE 11 11.784 2.296 0.981
64 HG12 ILE 11 HG12 ILE 11 12.196 -0.097 -0.831
65 HG13 ILE 11 HG13 ILE 11 11.039 1.190 -1.115
66 HG21 ILE 11 HG21 ILE 11 13.437 -0.201 1.375
67 HG22 ILE 11 HG22 ILE 11 13.227 1.096 2.550
68 HG23 ILE 11 HG23 ILE 11 14.074 1.407 1.033
69 HD11 ILE 11 HD11 ILE 11 13.035 1.468 -2.476
70 HD12 ILE 11 HD12 ILE 11 14.033 1.497 -1.021
71 HD13 ILE 11 HD13 ILE 11 12.871 2.792 -1.320
72 H GLY 12 H GLY 12 10.930 -1.074 3.496
73 HA2 GLY 12 HA2 GLY 12 11.527 -0.525 5.739
74 HA3 GLY 12 HA3 GLY 12 11.017 1.128 5.436
75 H TYR 13 H TYR 13 8.679 -0.692 4.102
76 HA TYR 13 HA TYR 13 7.096 -0.504 6.548
77 HB2 TYR 13 HB2 TYR 13 6.130 0.632 4.608
78 HB3 TYR 13 HB3 TYR 13 6.174 -0.847 3.669
79 HD1 TYR 13 HD1 TYR 13 4.554 -2.702 4.214
80 HD2 TYR 13 HD2 TYR 13 4.397 1.049 6.211
81 HE1 TYR 13 HE1 TYR 13 2.288 -3.226 5.007
82 HE2 TYR 13 HE2 TYR 13 2.134 0.529 7.014
83 HH TYR 13 HH TYR 13 0.203 -1.002 6.100
84 H SER 14 H SER 14 6.468 -2.253 7.586
85 HA SER 14 HA SER 14 6.442 -4.786 6.189
86 HB2 SER 14 HB2 SER 14 7.435 -5.815 8.269
87 HB3 SER 14 HB3 SER 14 8.550 -4.781 7.372
88 H GLY 15 H GLY 15 4.642 -5.950 6.680
89 HA2 GLY 15 HA2 GLY 15 3.103 -6.186 8.810
90 HA3 GLY 15 HA3 GLY 15 2.647 -4.581 8.235
91 HA PRO 16 HA PRO 16 0.043 -7.320 5.737
92 HB2 PRO 16 HB2 PRO 16 -1.911 -5.215 5.616
93 HB3 PRO 16 HB3 PRO 16 -2.028 -6.751 6.468
94 HG2 PRO 16 HG2 PRO 16 -1.845 -4.281 7.692
95 HG3 PRO 16 HG3 PRO 16 -1.426 -5.818 8.461
96 HD2 PRO 16 HD2 PRO 16 0.349 -3.742 7.261
97 HD3 PRO 16 HD3 PRO 16 0.614 -4.782 8.681
98 H THR 17 H THR 17 1.234 -7.233 3.872
99 HA THR 17 HA THR 17 1.404 -4.789 2.355
100 HB THR 17 HB THR 17 2.812 -6.379 0.880
101 HG1 THR 17 HG1 THR 17 2.877 -8.366 1.563
102 HG21 THR 17 HG21 THR 17 3.768 -4.644 2.340
103 HG22 THR 17 HG22 THR 17 4.748 -6.110 2.377
104 HG23 THR 17 HG23 THR 17 3.656 -5.741 3.716
105 H VAL 18 H VAL 18 -0.676 -7.438 2.493
106 HA VAL 18 HA VAL 18 -1.336 -7.246 -0.336
107 HB VAL 18 HB VAL 18 -2.473 -9.101 1.789
108 HG11 VAL 18 HG11 VAL 18 -3.471 -10.338 -0.084
109 HG12 VAL 18 HG12 VAL 18 -2.877 -9.117 -1.208
110 HG13 VAL 18 HG13 VAL 18 -4.086 -8.687 -0.000
111 HG21 VAL 18 HG21 VAL 18 -1.184 -10.852 0.653
112 HG22 VAL 18 HG22 VAL 18 -0.133 -9.590 1.297
113 HG23 VAL 18 HG23 VAL 18 -0.496 -9.644 -0.428
114 H CYS 19 H CYS 19 -2.845 -5.920 -0.985
115 HA CYS 19 HA CYS 19 -4.495 -4.545 0.946
116 HB2 CYS 19 HB2 CYS 19 -4.406 -4.238 -2.066
117 HB3 CYS 19 HB3 CYS 19 -5.083 -3.116 -0.887
118 H ALA 20 H ALA 20 -6.844 -4.362 0.509
119 HA ALA 20 HA ALA 20 -8.095 -6.857 0.247
120 HB1 ALA 20 HB1 ALA 20 -10.188 -5.579 0.252
121 HB2 ALA 20 HB2 ALA 20 -9.283 -4.095 -0.038
122 HB3 ALA 20 HB3 ALA 20 -9.075 -4.971 1.480
123 H SER 21 H SER 21 -9.209 -7.794 -1.458
124 HA SER 21 HA SER 21 -8.283 -7.281 -4.034
125 HB2 SER 21 HB2 SER 21 -10.756 -8.775 -3.151
126 HB3 SER 21 HB3 SER 21 -10.023 -8.864 -4.756
127 HG SER 21 HG SER 21 -8.039 -9.343 -3.346
128 H GLY 22 H GLY 22 -8.922 -5.982 -5.576
129 HA2 GLY 22 HA2 GLY 22 -10.595 -4.656 -6.676
130 HA3 GLY 22 HA3 GLY 22 -11.311 -4.343 -5.094
131 H THR 23 H THR 23 -8.359 -4.195 -4.152
132 HA THR 23 HA THR 23 -7.755 -1.538 -5.219
133 HB THR 23 HB THR 23 -6.817 -0.898 -2.974
134 HG1 THR 23 HG1 THR 23 -7.453 -3.552 -2.409
135 HG21 THR 23 HG21 THR 23 -8.915 -0.709 -1.743
136 HG22 THR 23 HG22 THR 23 -9.671 -1.878 -2.827
137 HG23 THR 23 HG23 THR 23 -9.140 -0.313 -3.445
138 H THR 24 H THR 24 -5.545 -1.146 -5.594
139 HA THR 24 HA THR 24 -3.924 -3.588 -5.441
140 HB THR 24 HB THR 24 -2.828 -2.846 -7.566
141 HG1 THR 24 HG1 THR 24 -4.676 -0.755 -7.253
142 HG21 THR 24 HG21 THR 24 -5.812 -3.308 -7.761
143 HG22 THR 24 HG22 THR 24 -4.599 -4.567 -7.571
144 HG23 THR 24 HG23 THR 24 -4.634 -3.592 -9.043
145 H CYS 25 H CYS 25 -1.875 -3.394 -4.772
146 HA CYS 25 HA CYS 25 -1.042 -1.049 -3.402
147 HB2 CYS 25 HB2 CYS 25 -0.373 -3.291 -2.646
148 HB3 CYS 25 HB3 CYS 25 0.479 -3.556 -4.163
149 H GLN 26 H GLN 26 -0.520 0.717 -4.550
150 HA GLN 26 HA GLN 26 1.219 0.355 -6.863
151 HB2 GLN 26 HB2 GLN 26 -0.978 2.349 -6.377
152 HB3 GLN 26 HB3 GLN 26 0.242 2.579 -7.622
153 HG2 GLN 26 HG2 GLN 26 -0.448 0.569 -8.747
154 HG3 GLN 26 HG3 GLN 26 -1.566 0.180 -7.441
155 HE21 GLN 26 HE21 GLN 26 -3.499 1.209 -7.328
156 HE22 GLN 26 HE22 GLN 26 -4.110 2.226 -8.561
157 H VAL 27 H VAL 27 3.073 1.326 -6.844
158 HA VAL 27 HA VAL 27 3.967 2.593 -4.437
159 HB VAL 27 HB VAL 27 5.456 2.172 -7.046
160 HG11 VAL 27 HG11 VAL 27 7.479 2.380 -5.678
161 HG12 VAL 27 HG12 VAL 27 6.484 2.724 -4.264
162 HG13 VAL 27 HG13 VAL 27 6.505 3.847 -5.622
163 HG21 VAL 27 HG21 VAL 27 6.424 0.182 -5.970
164 HG22 VAL 27 HG22 VAL 27 4.677 0.042 -6.150
165 HG23 VAL 27 HG23 VAL 27 5.372 0.434 -4.577
166 H LEU 28 H LEU 28 3.823 4.664 -4.063
167 HA LEU 28 HA LEU 28 3.376 6.509 -6.301
168 HB2 LEU 28 HB2 LEU 28 2.954 6.914 -3.331
169 HB3 LEU 28 HB3 LEU 28 2.559 8.072 -4.581
170 HG LEU 28 HG LEU 28 1.232 5.382 -4.184
171 HD11 LEU 28 HD11 LEU 28 0.251 8.177 -3.680
172 HD12 LEU 28 HD12 LEU 28 0.613 6.948 -2.462
173 HD13 LEU 28 HD13 LEU 28 -0.727 6.718 -3.579
174 HD21 LEU 28 HD21 LEU 28 1.285 6.001 -6.538
175 HD22 LEU 28 HD22 LEU 28 0.636 7.596 -6.135
176 HD23 LEU 28 HD23 LEU 28 -0.350 6.155 -5.887
177 H ASN 29 H ASN 29 5.205 6.126 -3.322
178 HA ASN 29 HA ASN 29 7.287 7.874 -4.410
179 HB2 ASN 29 HB2 ASN 29 6.331 7.718 -1.511
180 HB3 ASN 29 HB3 ASN 29 7.683 8.669 -2.105
181 HD21 ASN 29 HD21 ASN 29 5.167 9.460 -0.724
182 HD22 ASN 29 HD22 ASN 29 4.463 10.648 -1.736
183 HA PRO 30 HA PRO 30 10.143 4.558 -3.647
184 HB2 PRO 30 HB2 PRO 30 11.447 6.130 -1.466
185 HB3 PRO 30 HB3 PRO 30 12.182 5.295 -2.843
186 HG2 PRO 30 HG2 PRO 30 11.931 7.919 -2.889
187 HG3 PRO 30 HG3 PRO 30 11.581 6.960 -4.339
188 HD2 PRO 30 HD2 PRO 30 9.695 8.243 -2.415
189 HD3 PRO 30 HD3 PRO 30 9.556 8.106 -4.176
190 H TYR 31 H TYR 31 9.156 6.081 -0.575
191 HA TYR 31 HA TYR 31 9.191 3.417 0.634
192 HB2 TYR 31 HB2 TYR 31 8.759 6.086 1.970
193 HB3 TYR 31 HB3 TYR 31 9.048 4.540 2.746
194 HD1 TYR 31 HD1 TYR 31 11.340 3.506 2.563
195 HD2 TYR 31 HD2 TYR 31 10.563 7.468 1.254
196 HE1 TYR 31 HE1 TYR 31 13.746 3.999 2.601
197 HE2 TYR 31 HE2 TYR 31 12.934 7.962 1.293
198 HH TYR 31 HH TYR 31 15.258 5.515 1.571
199 H TYR 32 H TYR 32 7.041 5.982 -0.413
200 HA TYR 32 HA TYR 32 4.896 4.697 1.049
201 HB2 TYR 32 HB2 TYR 32 5.091 7.218 1.117
202 HB3 TYR 32 HB3 TYR 32 4.587 7.217 -0.573
203 HD1 TYR 32 HD1 TYR 32 3.535 6.110 2.798
204 HD2 TYR 32 HD2 TYR 32 2.294 7.111 -1.149
205 HE1 TYR 32 HE1 TYR 32 1.191 5.943 3.501
206 HE2 TYR 32 HE2 TYR 32 -0.055 6.953 -0.441
207 HH TYR 32 HH TYR 32 -0.980 6.767 2.810
208 H SER 33 H SER 33 3.843 3.143 0.188
209 HA SER 33 HA SER 33 3.059 3.304 -2.630
210 HB2 SER 33 HB2 SER 33 3.616 0.804 -0.984
211 HB3 SER 33 HB3 SER 33 3.197 0.850 -2.703
212 HG SER 33 HG SER 33 5.469 0.615 -2.261
213 H GLN 34 H GLN 34 0.797 2.868 -2.914
214 HA GLN 34 HA GLN 34 -0.660 2.602 -0.374
215 HB2 GLN 34 HB2 GLN 34 -0.532 4.927 -0.871
216 HB3 GLN 34 HB3 GLN 34 -1.096 4.681 -2.523
217 HG2 GLN 34 HG2 GLN 34 -3.275 4.020 -1.621
218 HG3 GLN 34 HG3 GLN 34 -2.662 4.273 0.010
219 HE21 GLN 34 HE21 GLN 34 -2.276 6.391 0.725
220 HE22 GLN 34 HE22 GLN 34 -2.957 7.749 -0.069
221 H CYS 35 H CYS 35 -2.555 1.463 -0.437
222 HA CYS 35 HA CYS 35 -3.088 -0.176 -2.702
223 HB2 CYS 35 HB2 CYS 35 -4.855 0.253 -0.286
224 HB3 CYS 35 HB3 CYS 35 -4.872 -1.067 -1.415
225 H LEU 36 H LEU 36 -3.896 0.786 -4.424
226 HA LEU 36 HA LEU 36 -6.269 2.452 -4.119
227 HB2 LEU 36 HB2 LEU 36 -4.099 2.588 -6.210
228 HB3 LEU 36 HB3 LEU 36 -5.615 3.460 -6.309
229 HG LEU 36 HG LEU 36 -3.529 3.856 -4.167
230 HD11 LEU 36 HD11 LEU 36 -4.260 5.565 -6.543
231 HD12 LEU 36 HD12 LEU 36 -2.772 4.641 -6.355
232 HD13 LEU 36 HD13 LEU 36 -3.114 5.992 -5.274
233 HD21 LEU 36 HD21 LEU 36 -6.085 5.340 -4.776
234 HD22 LEU 36 HD22 LEU 36 -4.885 5.801 -3.568
235 HD23 LEU 36 HD23 LEU 36 -5.791 4.309 -3.373
236 H1 MAN 101 H1 MAN 101 8.932 -5.437 10.081
237 H2 MAN 101 H2 MAN 101 7.975 -3.464 11.579
238 H3 MAN 101 H3 MAN 101 9.300 -1.694 11.955
239 H4 MAN 101 H4 MAN 101 10.370 -0.789 9.845
240 H5 MAN 101 H5 MAN 101 9.930 -2.564 7.806
241 H61 MAN 101 H61 MAN 101 12.308 -3.264 7.965
242 H62 MAN 101 H62 MAN 101 12.399 -2.595 9.612
243 HO2 MAN 101 HO2 MAN 101 9.175 -5.339 12.213
244 HO3 MAN 101 HO3 MAN 101 10.975 -3.226 12.392
245 HO4 MAN 101 HO4 MAN 101 8.548 -0.923 8.582
246 HO6 MAN 101 HO6 MAN 101 12.334 -0.553 8.824
Start of MODEL 18
1 H1 THR 1 H1 THR 1 -4.865 -9.012 5.388
2 H2 THR 1 H2 THR 1 -5.569 -7.775 6.294
3 H3 THR 1 H3 THR 1 -3.980 -7.601 5.782
4 HA THR 1 HA THR 1 -4.765 -7.560 3.508
5 HB THR 1 HB THR 1 -7.506 -7.563 4.817
6 HG1 THR 1 HG1 THR 1 -7.612 -9.671 3.742
7 HG21 THR 1 HG21 THR 1 -7.363 -6.328 2.685
8 HG22 THR 1 HG22 THR 1 -8.313 -7.803 2.509
9 HG23 THR 1 HG23 THR 1 -6.652 -7.748 1.918
10 H GLN 2 H GLN 2 -4.103 -5.584 3.133
11 HA GLN 2 HA GLN 2 -4.506 -3.554 5.135
12 HB2 GLN 2 HB2 GLN 2 -2.322 -4.303 3.872
13 HB3 GLN 2 HB3 GLN 2 -2.880 -3.212 2.625
14 HG2 GLN 2 HG2 GLN 2 -2.487 -2.404 5.494
15 HG3 GLN 2 HG3 GLN 2 -1.213 -2.290 4.295
16 HE21 GLN 2 HE21 GLN 2 -3.021 -1.451 2.184
17 HE22 GLN 2 HE22 GLN 2 -3.517 0.140 2.573
18 H SER 3 H SER 3 -5.658 -1.731 4.878
19 HA SER 3 HA SER 3 -7.896 -1.912 3.181
20 HB2 SER 3 HB2 SER 3 -7.044 0.239 5.090
21 HB3 SER 3 HB3 SER 3 -8.671 -0.002 4.457
22 HG SER 3 HG SER 3 -8.979 -1.526 5.820
23 H HIS 4 H HIS 4 -8.815 0.055 2.110
24 HA HIS 4 HA HIS 4 -7.226 0.756 -0.138
25 HB2 HIS 4 HB2 HIS 4 -9.804 0.482 0.042
26 HB3 HIS 4 HB3 HIS 4 -9.796 2.109 0.696
27 HD1 HIS 4 HD1 HIS 4 -11.376 1.814 -1.744
28 HD2 HIS 4 HD2 HIS 4 -7.297 2.476 -1.957
29 HE1 HIS 4 HE1 HIS 4 -10.953 2.654 -4.068
30 HE2 HIS 4 HE2 HIS 4 -8.473 2.380 -4.206
31 H TYR 5 H TYR 5 -5.949 2.477 -0.433
32 HA TYR 5 HA TYR 5 -4.905 4.365 -0.242
33 HB2 TYR 5 HB2 TYR 5 -7.240 5.274 1.440
34 HB3 TYR 5 HB3 TYR 5 -5.879 6.326 1.067
35 HD1 TYR 5 HD1 TYR 5 -9.102 5.424 0.072
36 HD2 TYR 5 HD2 TYR 5 -5.299 6.384 -1.558
37 HE1 TYR 5 HE1 TYR 5 -10.166 6.026 -2.067
38 HE2 TYR 5 HE2 TYR 5 -6.359 6.988 -3.696
39 HH TYR 5 HH TYR 5 -8.528 6.340 -4.911
40 H GLY 6 H GLY 6 -4.765 2.162 1.846
41 HA2 GLY 6 HA2 GLY 6 -3.122 3.631 3.786
42 HA3 GLY 6 HA3 GLY 6 -3.593 1.935 3.907
43 H GLN 7 H GLN 7 -0.941 2.600 4.273
44 HA GLN 7 HA GLN 7 0.522 2.340 1.818
45 HB2 GLN 7 HB2 GLN 7 1.448 3.573 3.779
46 HB3 GLN 7 HB3 GLN 7 1.501 2.063 4.677
47 HG2 GLN 7 HG2 GLN 7 3.122 1.167 3.080
48 HG3 GLN 7 HG3 GLN 7 3.076 2.669 2.168
49 HE21 GLN 7 HE21 GLN 7 5.314 3.143 2.490
50 HE22 GLN 7 HE22 GLN 7 5.902 3.549 4.038
51 H CYS 8 H CYS 8 0.843 0.524 0.784
52 HA CYS 8 HA CYS 8 0.051 -2.000 2.002
53 HB2 CYS 8 HB2 CYS 8 0.383 -2.911 -0.280
54 HB3 CYS 8 HB3 CYS 8 -0.789 -1.606 -0.182
55 H GLY 9 H GLY 9 3.041 -0.568 0.822
56 HA2 GLY 9 HA2 GLY 9 4.652 -2.132 2.446
57 HA3 GLY 9 HA3 GLY 9 4.457 -3.026 0.946
58 H GLY 10 H GLY 10 5.253 0.170 2.122
59 HA2 GLY 10 HA2 GLY 10 7.117 0.456 -0.126
60 HA3 GLY 10 HA3 GLY 10 6.504 1.782 0.869
61 H ILE 11 H ILE 11 9.109 1.824 0.694
62 HA ILE 11 HA ILE 11 10.564 0.114 2.367
63 HB ILE 11 HB ILE 11 11.228 3.006 1.724
64 HG12 ILE 11 HG12 ILE 11 12.069 0.494 0.257
65 HG13 ILE 11 HG13 ILE 11 10.818 1.595 -0.303
66 HG21 ILE 11 HG21 ILE 11 13.557 2.319 2.136
67 HG22 ILE 11 HG22 ILE 11 13.002 0.698 2.552
68 HG23 ILE 11 HG23 ILE 11 12.550 2.069 3.567
69 HD11 ILE 11 HD11 ILE 11 12.472 3.380 -0.483
70 HD12 ILE 11 HD12 ILE 11 12.921 1.981 -1.460
71 HD13 ILE 11 HD13 ILE 11 13.720 2.273 0.089
72 H GLY 12 H GLY 12 10.434 -0.129 4.434
73 HA2 GLY 12 HA2 GLY 12 10.748 0.803 6.646
74 HA3 GLY 12 HA3 GLY 12 9.737 2.155 6.146
75 H TYR 13 H TYR 13 7.935 0.209 4.724
76 HA TYR 13 HA TYR 13 6.235 -0.276 7.020
77 HB2 TYR 13 HB2 TYR 13 5.293 0.629 4.891
78 HB3 TYR 13 HB3 TYR 13 5.745 -0.864 4.087
79 HD1 TYR 13 HD1 TYR 13 4.435 -2.898 4.412
80 HD2 TYR 13 HD2 TYR 13 3.438 0.678 6.485
81 HE1 TYR 13 HE1 TYR 13 2.251 -3.860 5.007
82 HE2 TYR 13 HE2 TYR 13 1.257 -0.277 7.091
83 HH TYR 13 HH TYR 13 -0.243 -1.978 6.127
84 H SER 14 H SER 14 5.862 -2.242 7.898
85 HA SER 14 HA SER 14 7.026 -4.563 6.575
86 HB2 SER 14 HB2 SER 14 7.279 -3.950 9.515
87 HB3 SER 14 HB3 SER 14 8.111 -5.212 8.597
88 H GLY 15 H GLY 15 5.137 -5.624 6.129
89 HA2 GLY 15 HA2 GLY 15 3.692 -6.893 8.093
90 HA3 GLY 15 HA3 GLY 15 2.837 -5.394 7.740
91 HA PRO 16 HA PRO 16 1.342 -8.533 4.759
92 HB2 PRO 16 HB2 PRO 16 -1.276 -7.300 5.189
93 HB3 PRO 16 HB3 PRO 16 -0.777 -8.969 5.480
94 HG2 PRO 16 HG2 PRO 16 -1.330 -7.287 7.515
95 HG3 PRO 16 HG3 PRO 16 -0.073 -8.529 7.628
96 HD2 PRO 16 HD2 PRO 16 0.236 -5.605 6.996
97 HD3 PRO 16 HD3 PRO 16 1.142 -6.612 8.163
98 H THR 17 H THR 17 1.567 -8.063 2.705
99 HA THR 17 HA THR 17 1.222 -5.336 1.783
100 HB THR 17 HB THR 17 2.343 -6.435 -0.294
101 HG1 THR 17 HG1 THR 17 2.161 -8.612 0.313
102 HG21 THR 17 HG21 THR 17 4.562 -6.100 0.711
103 HG22 THR 17 HG22 THR 17 3.849 -6.175 2.322
104 HG23 THR 17 HG23 THR 17 3.446 -4.843 1.240
105 H VAL 18 H VAL 18 -0.598 -8.090 1.919
106 HA VAL 18 HA VAL 18 -1.874 -7.938 -0.641
107 HB VAL 18 HB VAL 18 -2.861 -9.257 1.912
108 HG11 VAL 18 HG11 VAL 18 -4.370 -10.535 0.450
109 HG12 VAL 18 HG12 VAL 18 -3.789 -9.623 -0.939
110 HG13 VAL 18 HG13 VAL 18 -4.688 -8.800 0.338
111 HG21 VAL 18 HG21 VAL 18 -2.049 -11.342 0.937
112 HG22 VAL 18 HG22 VAL 18 -0.727 -10.178 1.075
113 HG23 VAL 18 HG23 VAL 18 -1.487 -10.464 -0.480
114 H CYS 19 H CYS 19 -3.151 -6.358 -1.225
115 HA CYS 19 HA CYS 19 -4.333 -4.585 0.717
116 HB2 CYS 19 HB2 CYS 19 -4.402 -4.564 -2.305
117 HB3 CYS 19 HB3 CYS 19 -5.058 -3.299 -1.268
118 H ALA 20 H ALA 20 -6.605 -3.932 0.441
119 HA ALA 20 HA ALA 20 -8.360 -6.100 0.705
120 HB1 ALA 20 HB1 ALA 20 -10.123 -4.412 0.847
121 HB2 ALA 20 HB2 ALA 20 -9.009 -3.187 0.238
122 HB3 ALA 20 HB3 ALA 20 -8.716 -3.948 1.803
123 H SER 21 H SER 21 -10.339 -6.387 -0.516
124 HA SER 21 HA SER 21 -9.879 -7.199 -3.110
125 HB2 SER 21 HB2 SER 21 -11.615 -8.096 -1.580
126 HB3 SER 21 HB3 SER 21 -12.517 -6.596 -1.751
127 HG SER 21 HG SER 21 -11.824 -8.331 -3.875
128 H GLY 22 H GLY 22 -9.658 -6.052 -4.894
129 HA2 GLY 22 HA2 GLY 22 -10.495 -4.639 -6.586
130 HA3 GLY 22 HA3 GLY 22 -11.378 -3.739 -5.366
131 H THR 23 H THR 23 -8.503 -4.044 -3.954
132 HA THR 23 HA THR 23 -7.603 -1.537 -5.173
133 HB THR 23 HB THR 23 -6.659 -0.876 -3.011
134 HG1 THR 23 HG1 THR 23 -7.432 -3.505 -2.279
135 HG21 THR 23 HG21 THR 23 -8.710 -0.691 -1.700
136 HG22 THR 23 HG22 THR 23 -9.475 -1.908 -2.726
137 HG23 THR 23 HG23 THR 23 -8.993 -0.352 -3.406
138 H THR 24 H THR 24 -5.449 -1.245 -5.615
139 HA THR 24 HA THR 24 -3.875 -3.719 -5.611
140 HB THR 24 HB THR 24 -2.754 -2.741 -7.655
141 HG1 THR 24 HG1 THR 24 -4.780 -0.793 -7.250
142 HG21 THR 24 HG21 THR 24 -4.568 -3.402 -9.182
143 HG22 THR 24 HG22 THR 24 -5.712 -3.318 -7.843
144 HG23 THR 24 HG23 THR 24 -4.426 -4.523 -7.827
145 H CYS 25 H CYS 25 -1.739 -3.609 -4.996
146 HA CYS 25 HA CYS 25 -0.982 -1.312 -3.436
147 HB2 CYS 25 HB2 CYS 25 -0.357 -3.540 -2.653
148 HB3 CYS 25 HB3 CYS 25 0.518 -3.849 -4.148
149 H GLN 26 H GLN 26 -0.348 0.485 -4.497
150 HA GLN 26 HA GLN 26 1.403 0.085 -6.798
151 HB2 GLN 26 HB2 GLN 26 -0.574 2.316 -6.326
152 HB3 GLN 26 HB3 GLN 26 0.553 2.244 -7.672
153 HG2 GLN 26 HG2 GLN 26 -0.507 0.134 -8.397
154 HG3 GLN 26 HG3 GLN 26 -1.681 0.315 -7.098
155 HE21 GLN 26 HE21 GLN 26 -3.400 0.429 -8.495
156 HE22 GLN 26 HE22 GLN 26 -3.668 1.776 -9.541
157 H VAL 27 H VAL 27 3.197 1.292 -6.972
158 HA VAL 27 HA VAL 27 4.152 2.473 -4.496
159 HB VAL 27 HB VAL 27 5.636 2.022 -7.110
160 HG11 VAL 27 HG11 VAL 27 6.683 2.558 -4.336
161 HG12 VAL 27 HG12 VAL 27 6.683 3.690 -5.686
162 HG13 VAL 27 HG13 VAL 27 7.668 2.229 -5.762
163 HG21 VAL 27 HG21 VAL 27 6.607 0.028 -6.052
164 HG22 VAL 27 HG22 VAL 27 4.856 -0.108 -6.229
165 HG23 VAL 27 HG23 VAL 27 5.560 0.268 -4.654
166 H LEU 28 H LEU 28 3.812 4.574 -4.233
167 HA LEU 28 HA LEU 28 3.294 6.243 -6.587
168 HB2 LEU 28 HB2 LEU 28 2.825 6.790 -3.663
169 HB3 LEU 28 HB3 LEU 28 2.396 7.869 -4.969
170 HG LEU 28 HG LEU 28 1.206 5.135 -4.484
171 HD11 LEU 28 HD11 LEU 28 0.050 7.892 -4.125
172 HD12 LEU 28 HD12 LEU 28 0.496 6.770 -2.839
173 HD13 LEU 28 HD13 LEU 28 -0.825 6.373 -3.938
174 HD21 LEU 28 HD21 LEU 28 0.536 7.240 -6.531
175 HD22 LEU 28 HD22 LEU 28 -0.368 5.746 -6.247
176 HD23 LEU 28 HD23 LEU 28 1.283 5.673 -6.860
177 H ASN 29 H ASN 29 5.497 5.812 -3.953
178 HA ASN 29 HA ASN 29 7.353 7.723 -5.089
179 HB2 ASN 29 HB2 ASN 29 6.457 7.856 -2.169
180 HB3 ASN 29 HB3 ASN 29 7.795 8.741 -2.870
181 HD21 ASN 29 HD21 ASN 29 4.377 8.556 -2.524
182 HD22 ASN 29 HD22 ASN 29 4.040 10.104 -3.209
183 HA PRO 30 HA PRO 30 10.343 4.646 -3.892
184 HB2 PRO 30 HB2 PRO 30 11.546 6.534 -1.910
185 HB3 PRO 30 HB3 PRO 30 12.339 5.559 -3.156
186 HG2 PRO 30 HG2 PRO 30 11.984 8.154 -3.538
187 HG3 PRO 30 HG3 PRO 30 11.723 7.012 -4.868
188 HD2 PRO 30 HD2 PRO 30 9.739 8.457 -3.191
189 HD3 PRO 30 HD3 PRO 30 9.649 8.046 -4.913
190 H TYR 31 H TYR 31 9.244 6.454 -0.992
191 HA TYR 31 HA TYR 31 9.378 3.924 0.488
192 HB2 TYR 31 HB2 TYR 31 8.899 6.740 1.514
193 HB3 TYR 31 HB3 TYR 31 9.046 5.300 2.508
194 HD1 TYR 31 HD1 TYR 31 10.926 7.488 0.163
195 HD2 TYR 31 HD2 TYR 31 11.170 4.540 3.213
196 HE1 TYR 31 HE1 TYR 31 13.333 7.841 0.293
197 HE2 TYR 31 HE2 TYR 31 13.598 4.890 3.353
198 HH TYR 31 HH TYR 31 15.391 5.703 1.825
199 H TYR 32 H TYR 32 7.133 6.115 -0.920
200 HA TYR 32 HA TYR 32 5.001 5.082 0.759
201 HB2 TYR 32 HB2 TYR 32 5.255 7.562 0.301
202 HB3 TYR 32 HB3 TYR 32 4.688 7.207 -1.328
203 HD1 TYR 32 HD1 TYR 32 3.736 6.376 2.158
204 HD2 TYR 32 HD2 TYR 32 2.426 7.572 -1.710
205 HE1 TYR 32 HE1 TYR 32 1.458 6.524 2.992
206 HE2 TYR 32 HE2 TYR 32 0.120 7.716 -0.881
207 HH TYR 32 HH TYR 32 -1.238 7.034 0.862
208 H SER 33 H SER 33 4.043 3.293 0.149
209 HA SER 33 HA SER 33 3.179 3.034 -2.638
210 HB2 SER 33 HB2 SER 33 3.879 0.744 -0.757
211 HB3 SER 33 HB3 SER 33 3.483 0.640 -2.477
212 HG SER 33 HG SER 33 5.588 0.722 -2.685
213 H GLN 34 H GLN 34 0.988 2.693 -2.788
214 HA GLN 34 HA GLN 34 -0.487 2.378 -0.270
215 HB2 GLN 34 HB2 GLN 34 -0.429 4.711 -0.582
216 HB3 GLN 34 HB3 GLN 34 -0.726 4.595 -2.299
217 HG2 GLN 34 HG2 GLN 34 -3.022 3.885 -1.843
218 HG3 GLN 34 HG3 GLN 34 -2.698 3.991 -0.110
219 HE21 GLN 34 HE21 GLN 34 -2.749 5.966 0.879
220 HE22 GLN 34 HE22 GLN 34 -3.118 7.426 0.027
221 H CYS 35 H CYS 35 -2.453 1.307 -0.426
222 HA CYS 35 HA CYS 35 -2.905 -0.234 -2.780
223 HB2 CYS 35 HB2 CYS 35 -4.635 0.047 -0.315
224 HB3 CYS 35 HB3 CYS 35 -4.778 -1.159 -1.572
225 H LEU 36 H LEU 36 -3.654 0.795 -4.453
226 HA LEU 36 HA LEU 36 -5.810 2.734 -4.185
227 HB2 LEU 36 HB2 LEU 36 -4.004 2.053 -6.512
228 HB3 LEU 36 HB3 LEU 36 -5.314 3.211 -6.580
229 HG LEU 36 HG LEU 36 -2.830 3.462 -4.880
230 HD11 LEU 36 HD11 LEU 36 -2.373 3.791 -7.237
231 HD12 LEU 36 HD12 LEU 36 -2.330 5.336 -6.378
232 HD13 LEU 36 HD13 LEU 36 -3.730 4.909 -7.354
233 HD21 LEU 36 HD21 LEU 36 -3.651 5.704 -4.411
234 HD22 LEU 36 HD22 LEU 36 -4.750 4.473 -3.799
235 HD23 LEU 36 HD23 LEU 36 -5.143 5.351 -5.284
236 H1 MAN 101 H1 MAN 101 9.354 -3.032 10.173
237 H2 MAN 101 H2 MAN 101 10.149 -1.243 8.454
238 H3 MAN 101 H3 MAN 101 12.137 -1.616 7.300
239 H4 MAN 101 H4 MAN 101 12.444 -3.970 6.548
240 H5 MAN 101 H5 MAN 101 10.345 -5.457 7.478
241 H61 MAN 101 H61 MAN 101 11.912 -6.602 8.973
242 H62 MAN 101 H62 MAN 101 13.041 -5.224 8.913
243 HO2 MAN 101 HO2 MAN 101 11.938 -2.418 10.291
244 HO3 MAN 101 HO3 MAN 101 13.773 -2.999 8.219
245 HO4 MAN 101 HO4 MAN 101 9.713 -3.134 6.609
246 HO6 MAN 101 HO6 MAN 101 12.214 -6.901 6.739
Start of MODEL 19
1 H1 THR 1 H1 THR 1 -5.234 -7.975 6.054
2 H2 THR 1 H2 THR 1 -3.703 -7.947 5.364
3 H3 THR 1 H3 THR 1 -4.764 -9.251 5.076
4 HA THR 1 HA THR 1 -4.690 -7.744 3.189
5 HB THR 1 HB THR 1 -7.354 -7.573 4.614
6 HG1 THR 1 HG1 THR 1 -7.191 -9.662 4.893
7 HG21 THR 1 HG21 THR 1 -7.144 -6.633 2.366
8 HG22 THR 1 HG22 THR 1 -8.235 -8.024 2.384
9 HG23 THR 1 HG23 THR 1 -6.593 -8.193 1.754
10 H GLN 2 H GLN 2 -3.956 -5.674 2.904
11 HA GLN 2 HA GLN 2 -4.308 -3.782 5.058
12 HB2 GLN 2 HB2 GLN 2 -2.121 -4.384 3.803
13 HB3 GLN 2 HB3 GLN 2 -2.700 -3.317 2.548
14 HG2 GLN 2 HG2 GLN 2 -2.347 -2.451 5.417
15 HG3 GLN 2 HG3 GLN 2 -1.068 -2.339 4.217
16 HE21 GLN 2 HE21 GLN 2 -2.722 -1.567 2.041
17 HE22 GLN 2 HE22 GLN 2 -3.286 0.013 2.376
18 H SER 3 H SER 3 -5.244 -1.787 4.928
19 HA SER 3 HA SER 3 -7.679 -1.569 3.682
20 HB2 SER 3 HB2 SER 3 -6.058 0.621 4.905
21 HB3 SER 3 HB3 SER 3 -7.813 0.438 4.885
22 HG SER 3 HG SER 3 -6.297 -0.294 6.770
23 H HIS 4 H HIS 4 -8.509 -0.091 2.218
24 HA HIS 4 HA HIS 4 -7.082 0.734 -0.066
25 HB2 HIS 4 HB2 HIS 4 -9.552 0.322 0.072
26 HB3 HIS 4 HB3 HIS 4 -9.706 1.751 1.072
27 HD1 HIS 4 HD1 HIS 4 -11.124 3.158 -0.412
28 HD2 HIS 4 HD2 HIS 4 -7.815 1.658 -2.419
29 HE1 HIS 4 HE1 HIS 4 -11.241 4.123 -2.725
30 HE2 HIS 4 HE2 HIS 4 -9.197 3.268 -3.899
31 H TYR 5 H TYR 5 -5.944 2.608 -0.474
32 HA TYR 5 HA TYR 5 -4.882 4.507 -0.214
33 HB2 TYR 5 HB2 TYR 5 -7.219 5.199 1.532
34 HB3 TYR 5 HB3 TYR 5 -5.827 6.274 1.476
35 HD1 TYR 5 HD1 TYR 5 -5.336 7.563 -0.503
36 HD2 TYR 5 HD2 TYR 5 -8.632 4.890 -0.432
37 HE1 TYR 5 HE1 TYR 5 -6.212 8.602 -2.548
38 HE2 TYR 5 HE2 TYR 5 -9.514 5.924 -2.473
39 HH TYR 5 HH TYR 5 -7.672 8.041 -4.388
40 H GLY 6 H GLY 6 -4.666 2.178 1.840
41 HA2 GLY 6 HA2 GLY 6 -2.932 3.640 3.698
42 HA3 GLY 6 HA3 GLY 6 -3.468 1.969 3.884
43 H GLN 7 H GLN 7 -0.821 2.550 4.182
44 HA GLN 7 HA GLN 7 0.582 2.100 1.715
45 HB2 GLN 7 HB2 GLN 7 1.605 3.457 3.467
46 HB3 GLN 7 HB3 GLN 7 1.543 2.095 4.572
47 HG2 GLN 7 HG2 GLN 7 3.126 0.885 3.257
48 HG3 GLN 7 HG3 GLN 7 3.214 2.138 2.036
49 HE21 GLN 7 HE21 GLN 7 5.445 2.664 2.390
50 HE22 GLN 7 HE22 GLN 7 5.971 3.317 3.876
51 H CYS 8 H CYS 8 0.659 0.246 0.810
52 HA CYS 8 HA CYS 8 -0.049 -2.218 2.119
53 HB2 CYS 8 HB2 CYS 8 0.549 -3.082 -0.238
54 HB3 CYS 8 HB3 CYS 8 -0.874 -2.063 -0.025
55 H GLY 9 H GLY 9 2.902 -1.049 0.536
56 HA2 GLY 9 HA2 GLY 9 4.536 -2.599 2.234
57 HA3 GLY 9 HA3 GLY 9 4.265 -3.443 0.711
58 H GLY 10 H GLY 10 5.349 -0.493 2.124
59 HA2 GLY 10 HA2 GLY 10 6.969 -0.073 -0.270
60 HA3 GLY 10 HA3 GLY 10 6.442 1.221 0.809
61 H ILE 11 H ILE 11 8.992 1.160 0.343
62 HA ILE 11 HA ILE 11 10.552 -0.459 2.044
63 HB ILE 11 HB ILE 11 11.169 2.324 0.994
64 HG12 ILE 11 HG12 ILE 11 11.922 -0.390 -0.115
65 HG13 ILE 11 HG13 ILE 11 10.679 0.661 -0.777
66 HG21 ILE 11 HG21 ILE 11 13.526 1.734 1.377
67 HG22 ILE 11 HG22 ILE 11 13.020 0.202 2.088
68 HG23 ILE 11 HG23 ILE 11 12.606 1.718 2.885
69 HD11 ILE 11 HD11 ILE 11 12.372 2.338 -1.293
70 HD12 ILE 11 HD12 ILE 11 12.738 0.792 -2.059
71 HD13 ILE 11 HD13 ILE 11 13.615 1.290 -0.614
72 H GLY 12 H GLY 12 10.468 -0.502 4.170
73 HA2 GLY 12 HA2 GLY 12 10.877 0.613 6.256
74 HA3 GLY 12 HA3 GLY 12 10.035 2.019 5.614
75 H TYR 13 H TYR 13 8.152 -0.302 4.505
76 HA TYR 13 HA TYR 13 6.441 -0.182 6.866
77 HB2 TYR 13 HB2 TYR 13 5.447 0.552 4.712
78 HB3 TYR 13 HB3 TYR 13 5.739 -1.056 4.053
79 HD1 TYR 13 HD1 TYR 13 4.184 -2.823 4.437
80 HD2 TYR 13 HD2 TYR 13 3.862 0.789 6.653
81 HE1 TYR 13 HE1 TYR 13 2.013 -3.568 5.331
82 HE2 TYR 13 HE2 TYR 13 1.703 0.052 7.549
83 HH TYR 13 HH TYR 13 -0.093 -1.466 6.792
84 H SER 14 H SER 14 5.830 -1.950 7.957
85 HA SER 14 HA SER 14 6.792 -4.569 7.011
86 HB2 SER 14 HB2 SER 14 6.674 -3.894 9.901
87 HB3 SER 14 HB3 SER 14 7.775 -4.996 9.067
88 H GLY 15 H GLY 15 4.808 -5.596 6.586
89 HA2 GLY 15 HA2 GLY 15 3.141 -6.444 8.534
90 HA3 GLY 15 HA3 GLY 15 2.498 -4.860 8.105
91 HA PRO 16 HA PRO 16 0.403 -7.809 5.306
92 HB2 PRO 16 HB2 PRO 16 -1.728 -5.797 5.323
93 HB3 PRO 16 HB3 PRO 16 -1.792 -7.485 5.822
94 HG2 PRO 16 HG2 PRO 16 -1.933 -5.458 7.596
95 HG3 PRO 16 HG3 PRO 16 -1.182 -7.014 7.988
96 HD2 PRO 16 HD2 PRO 16 0.106 -4.422 7.227
97 HD3 PRO 16 HD3 PRO 16 0.565 -5.592 8.488
98 H THR 17 H THR 17 1.350 -7.615 3.385
99 HA THR 17 HA THR 17 1.564 -5.076 2.070
100 HB THR 17 HB THR 17 2.852 -6.501 0.406
101 HG1 THR 17 HG1 THR 17 3.331 -8.541 1.004
102 HG21 THR 17 HG21 THR 17 3.762 -6.449 3.290
103 HG22 THR 17 HG22 THR 17 3.877 -5.100 2.167
104 HG23 THR 17 HG23 THR 17 4.815 -6.572 1.877
105 H VAL 18 H VAL 18 -0.586 -7.708 1.986
106 HA VAL 18 HA VAL 18 -1.242 -7.308 -0.812
107 HB VAL 18 HB VAL 18 -2.562 -9.208 1.154
108 HG11 VAL 18 HG11 VAL 18 -3.362 -10.361 -0.859
109 HG12 VAL 18 HG12 VAL 18 -2.641 -9.099 -1.852
110 HG13 VAL 18 HG13 VAL 18 -3.963 -8.705 -0.756
111 HG21 VAL 18 HG21 VAL 18 -0.193 -9.748 0.906
112 HG22 VAL 18 HG22 VAL 18 -0.371 -9.766 -0.850
113 HG23 VAL 18 HG23 VAL 18 -1.200 -10.972 0.134
114 H CYS 19 H CYS 19 -2.784 -6.043 -1.464
115 HA CYS 19 HA CYS 19 -4.167 -4.409 0.416
116 HB2 CYS 19 HB2 CYS 19 -4.310 -4.505 -2.587
117 HB3 CYS 19 HB3 CYS 19 -5.018 -3.256 -1.562
118 H ALA 20 H ALA 20 -6.432 -3.936 0.310
119 HA ALA 20 HA ALA 20 -8.068 -6.184 0.702
120 HB1 ALA 20 HB1 ALA 20 -9.851 -4.585 1.043
121 HB2 ALA 20 HB2 ALA 20 -8.878 -3.309 0.314
122 HB3 ALA 20 HB3 ALA 20 -8.377 -4.032 1.841
123 H SER 21 H SER 21 -10.316 -6.201 -0.288
124 HA SER 21 HA SER 21 -10.111 -7.347 -2.770
125 HB2 SER 21 HB2 SER 21 -12.639 -7.179 -2.622
126 HB3 SER 21 HB3 SER 21 -11.820 -8.000 -1.282
127 HG SER 21 HG SER 21 -12.558 -5.291 -1.368
128 H GLY 22 H GLY 22 -9.640 -6.314 -4.604
129 HA2 GLY 22 HA2 GLY 22 -10.391 -5.133 -6.462
130 HA3 GLY 22 HA3 GLY 22 -11.368 -4.130 -5.400
131 H THR 23 H THR 23 -8.427 -4.265 -3.935
132 HA THR 23 HA THR 23 -7.684 -1.755 -5.276
133 HB THR 23 HB THR 23 -6.658 -1.032 -3.120
134 HG1 THR 23 HG1 THR 23 -7.393 -3.645 -2.396
135 HG21 THR 23 HG21 THR 23 -9.516 -1.960 -2.848
136 HG22 THR 23 HG22 THR 23 -8.987 -0.449 -3.586
137 HG23 THR 23 HG23 THR 23 -8.736 -0.723 -1.862
138 H THR 24 H THR 24 -5.477 -1.308 -5.704
139 HA THR 24 HA THR 24 -3.772 -3.705 -5.650
140 HB THR 24 HB THR 24 -2.697 -2.741 -7.728
141 HG1 THR 24 HG1 THR 24 -4.667 -0.815 -7.298
142 HG21 THR 24 HG21 THR 24 -4.455 -3.557 -9.250
143 HG22 THR 24 HG22 THR 24 -5.618 -3.504 -7.923
144 HG23 THR 24 HG23 THR 24 -4.257 -4.623 -7.859
145 H CYS 25 H CYS 25 -1.594 -3.437 -5.130
146 HA CYS 25 HA CYS 25 -0.990 -1.090 -3.581
147 HB2 CYS 25 HB2 CYS 25 -0.279 -3.340 -2.819
148 HB3 CYS 25 HB3 CYS 25 0.717 -3.505 -4.261
149 H GLN 26 H GLN 26 -0.490 0.700 -4.673
150 HA GLN 26 HA GLN 26 1.281 0.438 -6.988
151 HB2 GLN 26 HB2 GLN 26 -0.769 2.574 -6.399
152 HB3 GLN 26 HB3 GLN 26 0.335 2.591 -7.768
153 HG2 GLN 26 HG2 GLN 26 -0.664 0.519 -8.602
154 HG3 GLN 26 HG3 GLN 26 -1.776 0.509 -7.237
155 HE21 GLN 26 HE21 GLN 26 -3.541 0.593 -8.540
156 HE22 GLN 26 HE22 GLN 26 -4.008 1.995 -9.435
157 H VAL 27 H VAL 27 3.140 1.405 -6.946
158 HA VAL 27 HA VAL 27 4.077 2.608 -4.522
159 HB VAL 27 HB VAL 27 5.516 2.339 -7.177
160 HG11 VAL 27 HG11 VAL 27 6.571 3.905 -5.646
161 HG12 VAL 27 HG12 VAL 27 7.551 2.449 -5.835
162 HG13 VAL 27 HG13 VAL 27 6.585 2.677 -4.379
163 HG21 VAL 27 HG21 VAL 27 4.725 0.165 -6.409
164 HG22 VAL 27 HG22 VAL 27 5.495 0.436 -4.843
165 HG23 VAL 27 HG23 VAL 27 6.480 0.283 -6.300
166 H LEU 28 H LEU 28 3.686 4.685 -4.126
167 HA LEU 28 HA LEU 28 3.207 6.527 -6.353
168 HB2 LEU 28 HB2 LEU 28 2.838 6.949 -3.389
169 HB3 LEU 28 HB3 LEU 28 2.370 8.065 -4.649
170 HG LEU 28 HG LEU 28 1.154 5.354 -4.118
171 HD11 LEU 28 HD11 LEU 28 0.518 7.044 -2.499
172 HD12 LEU 28 HD12 LEU 28 -0.841 6.640 -3.550
173 HD13 LEU 28 HD13 LEU 28 0.055 8.139 -3.800
174 HD21 LEU 28 HD21 LEU 28 0.477 7.409 -6.214
175 HD22 LEU 28 HD22 LEU 28 -0.469 5.965 -5.844
176 HD23 LEU 28 HD23 LEU 28 1.161 5.805 -6.502
177 H ASN 29 H ASN 29 5.193 6.122 -3.502
178 HA ASN 29 HA ASN 29 6.981 8.254 -4.454
179 HB2 ASN 29 HB2 ASN 29 6.170 7.676 -1.572
180 HB3 ASN 29 HB3 ASN 29 7.329 8.877 -2.092
181 HD21 ASN 29 HD21 ASN 29 4.778 9.120 -0.600
182 HD22 ASN 29 HD22 ASN 29 3.890 10.300 -1.459
183 HA PRO 30 HA PRO 30 10.425 5.438 -3.880
184 HB2 PRO 30 HB2 PRO 30 11.354 6.955 -1.478
185 HB3 PRO 30 HB3 PRO 30 12.275 6.432 -2.894
186 HG2 PRO 30 HG2 PRO 30 11.553 8.959 -2.682
187 HG3 PRO 30 HG3 PRO 30 11.397 8.130 -4.241
188 HD2 PRO 30 HD2 PRO 30 9.304 8.820 -2.245
189 HD3 PRO 30 HD3 PRO 30 9.223 8.882 -4.016
190 H TYR 31 H TYR 31 9.108 6.364 -0.698
191 HA TYR 31 HA TYR 31 9.525 3.596 0.234
192 HB2 TYR 31 HB2 TYR 31 8.795 6.045 1.857
193 HB3 TYR 31 HB3 TYR 31 9.235 4.462 2.475
194 HD1 TYR 31 HD1 TYR 31 11.596 3.771 2.528
195 HD2 TYR 31 HD2 TYR 31 10.473 7.606 1.075
196 HE1 TYR 31 HE1 TYR 31 13.926 4.544 2.747
197 HE2 TYR 31 HE2 TYR 31 12.772 8.374 1.280
198 HH TYR 31 HH TYR 31 15.387 6.295 1.794
199 H TYR 32 H TYR 32 7.091 5.905 -0.601
200 HA TYR 32 HA TYR 32 5.073 4.454 0.898
201 HB2 TYR 32 HB2 TYR 32 5.183 6.964 0.949
202 HB3 TYR 32 HB3 TYR 32 4.625 6.942 -0.718
203 HD1 TYR 32 HD1 TYR 32 3.704 5.862 2.697
204 HD2 TYR 32 HD2 TYR 32 2.328 6.848 -1.210
205 HE1 TYR 32 HE1 TYR 32 1.385 5.810 3.507
206 HE2 TYR 32 HE2 TYR 32 0.018 6.797 -0.403
207 HH TYR 32 HH TYR 32 -0.791 6.783 2.854
208 H SER 33 H SER 33 4.135 2.804 0.036
209 HA SER 33 HA SER 33 3.181 2.978 -2.727
210 HB2 SER 33 HB2 SER 33 3.736 0.462 -1.095
211 HB3 SER 33 HB3 SER 33 3.270 0.542 -2.798
212 HG SER 33 HG SER 33 5.424 0.297 -2.844
213 H GLN 34 H GLN 34 0.935 2.726 -2.929
214 HA GLN 34 HA GLN 34 -0.541 2.436 -0.389
215 HB2 GLN 34 HB2 GLN 34 -0.290 4.789 -0.992
216 HB3 GLN 34 HB3 GLN 34 -0.976 4.467 -2.575
217 HG2 GLN 34 HG2 GLN 34 -3.096 3.879 -1.530
218 HG3 GLN 34 HG3 GLN 34 -2.399 4.200 0.056
219 HE21 GLN 34 HE21 GLN 34 -2.004 6.331 0.671
220 HE22 GLN 34 HE22 GLN 34 -2.683 7.662 -0.187
221 H CYS 35 H CYS 35 -2.569 1.413 -0.532
222 HA CYS 35 HA CYS 35 -3.024 -0.138 -2.893
223 HB2 CYS 35 HB2 CYS 35 -4.721 0.042 -0.398
224 HB3 CYS 35 HB3 CYS 35 -4.834 -1.114 -1.693
225 H LEU 36 H LEU 36 -3.869 0.755 -4.539
226 HA LEU 36 HA LEU 36 -6.174 2.540 -4.285
227 HB2 LEU 36 HB2 LEU 36 -4.112 2.300 -6.490
228 HB3 LEU 36 HB3 LEU 36 -5.519 3.339 -6.536
229 HG LEU 36 HG LEU 36 -3.268 3.614 -4.542
230 HD11 LEU 36 HD11 LEU 36 -3.890 5.158 -7.049
231 HD12 LEU 36 HD12 LEU 36 -2.486 4.123 -6.780
232 HD13 LEU 36 HD13 LEU 36 -2.680 5.613 -5.853
233 HD21 LEU 36 HD21 LEU 36 -4.307 5.773 -4.066
234 HD22 LEU 36 HD22 LEU 36 -5.411 4.442 -3.722
235 HD23 LEU 36 HD23 LEU 36 -5.610 5.398 -5.191
236 H1 MAN 101 H1 MAN 101 9.908 -3.811 10.017
237 H2 MAN 101 H2 MAN 101 7.889 -3.919 11.456
238 H3 MAN 101 H3 MAN 101 6.821 -1.841 10.730
239 H4 MAN 101 H4 MAN 101 9.103 -0.442 12.225
240 H5 MAN 101 H5 MAN 101 8.369 -0.538 9.279
241 H61 MAN 101 H61 MAN 101 9.430 1.565 10.128
242 H62 MAN 101 H62 MAN 101 10.310 0.741 8.814
243 HO2 MAN 101 HO2 MAN 101 9.972 -2.213 12.426
244 HO3 MAN 101 HO3 MAN 101 7.627 -1.724 13.468
245 HO4 MAN 101 HO4 MAN 101 6.863 0.511 10.739
246 HO6 MAN 101 HO6 MAN 101 11.413 -0.326 10.788
Start of MODEL 20
1 H1 THR 1 H1 THR 1 -6.148 -7.958 5.765
2 H2 THR 1 H2 THR 1 -4.480 -8.107 5.824
3 H3 THR 1 H3 THR 1 -5.405 -9.280 5.008
4 HA THR 1 HA THR 1 -4.435 -7.796 3.410
5 HB THR 1 HB THR 1 -6.600 -6.739 2.561
6 HG1 THR 1 HG1 THR 1 -8.458 -7.555 3.767
7 HG21 THR 1 HG21 THR 1 -5.874 -8.988 1.857
8 HG22 THR 1 HG22 THR 1 -7.627 -8.928 2.049
9 HG23 THR 1 HG23 THR 1 -6.629 -9.679 3.292
10 H GLN 2 H GLN 2 -4.596 -5.475 2.575
11 HA GLN 2 HA GLN 2 -4.430 -3.633 4.847
12 HB2 GLN 2 HB2 GLN 2 -2.507 -4.232 3.032
13 HB3 GLN 2 HB3 GLN 2 -3.307 -2.915 2.192
14 HG2 GLN 2 HG2 GLN 2 -2.007 -2.801 4.912
15 HG3 GLN 2 HG3 GLN 2 -1.454 -2.030 3.428
16 HE21 GLN 2 HE21 GLN 2 -2.660 -0.333 2.634
17 HE22 GLN 2 HE22 GLN 2 -3.692 0.596 3.664
18 H SER 3 H SER 3 -5.569 -1.688 4.715
19 HA SER 3 HA SER 3 -7.986 -1.770 3.208
20 HB2 SER 3 HB2 SER 3 -6.892 0.327 5.073
21 HB3 SER 3 HB3 SER 3 -8.558 0.224 4.493
22 HG SER 3 HG SER 3 -8.388 -0.674 6.509
23 H HIS 4 H HIS 4 -8.808 -0.018 1.945
24 HA HIS 4 HA HIS 4 -7.159 0.830 -0.166
25 HB2 HIS 4 HB2 HIS 4 -9.709 0.458 -0.077
26 HB3 HIS 4 HB3 HIS 4 -9.805 2.063 0.627
27 HD1 HIS 4 HD1 HIS 4 -11.295 2.589 -1.521
28 HD2 HIS 4 HD2 HIS 4 -7.304 1.783 -2.269
29 HE1 HIS 4 HE1 HIS 4 -10.914 3.230 -3.916
30 HE2 HIS 4 HE2 HIS 4 -8.657 2.207 -4.363
31 H TYR 5 H TYR 5 -5.989 2.698 -0.467
32 HA TYR 5 HA TYR 5 -5.030 4.651 -0.202
33 HB2 TYR 5 HB2 TYR 5 -7.465 5.323 1.418
34 HB3 TYR 5 HB3 TYR 5 -6.156 6.479 1.206
35 HD1 TYR 5 HD1 TYR 5 -5.728 7.465 -0.976
36 HD2 TYR 5 HD2 TYR 5 -8.928 4.735 -0.411
37 HE1 TYR 5 HE1 TYR 5 -6.691 8.158 -3.130
38 HE2 TYR 5 HE2 TYR 5 -9.898 5.423 -2.561
39 HH TYR 5 HH TYR 5 -9.846 7.144 -4.153
40 H GLY 6 H GLY 6 -4.650 2.417 1.769
41 HA2 GLY 6 HA2 GLY 6 -3.094 4.037 3.679
42 HA3 GLY 6 HA3 GLY 6 -3.609 2.375 3.974
43 H GLN 7 H GLN 7 -0.991 2.857 4.311
44 HA GLN 7 HA GLN 7 0.459 2.497 1.852
45 HB2 GLN 7 HB2 GLN 7 1.401 3.814 3.742
46 HB3 GLN 7 HB3 GLN 7 1.454 2.355 4.712
47 HG2 GLN 7 HG2 GLN 7 3.095 1.377 3.199
48 HG3 GLN 7 HG3 GLN 7 3.014 2.806 2.168
49 HE21 GLN 7 HE21 GLN 7 5.322 3.223 2.481
50 HE22 GLN 7 HE22 GLN 7 5.838 3.825 3.991
51 H CYS 8 H CYS 8 0.871 0.660 0.902
52 HA CYS 8 HA CYS 8 0.078 -1.854 2.214
53 HB2 CYS 8 HB2 CYS 8 0.036 -2.719 -0.084
54 HB3 CYS 8 HB3 CYS 8 -1.043 -1.349 0.179
55 H GLY 9 H GLY 9 2.865 -0.297 1.928
56 HA2 GLY 9 HA2 GLY 9 4.699 -1.700 2.839
57 HA3 GLY 9 HA3 GLY 9 4.247 -2.880 1.622
58 H GLY 10 H GLY 10 5.766 0.106 2.273
59 HA2 GLY 10 HA2 GLY 10 7.072 -0.027 -0.343
60 HA3 GLY 10 HA3 GLY 10 6.924 1.443 0.635
61 H ILE 11 H ILE 11 9.350 1.260 0.255
62 HA ILE 11 HA ILE 11 10.869 -0.658 1.639
63 HB ILE 11 HB ILE 11 11.664 2.237 1.156
64 HG12 ILE 11 HG12 ILE 11 12.021 -0.137 -0.698
65 HG13 ILE 11 HG13 ILE 11 10.845 1.146 -0.920
66 HG21 ILE 11 HG21 ILE 11 13.324 -0.272 1.472
67 HG22 ILE 11 HG22 ILE 11 13.153 1.018 2.663
68 HG23 ILE 11 HG23 ILE 11 13.955 1.339 1.125
69 HD11 ILE 11 HD11 ILE 11 13.834 1.484 -0.923
70 HD12 ILE 11 HD12 ILE 11 12.652 2.773 -1.154
71 HD13 ILE 11 HD13 ILE 11 12.786 1.475 -2.342
72 H GLY 12 H GLY 12 11.045 -0.962 3.775
73 HA2 GLY 12 HA2 GLY 12 11.620 -0.181 5.961
74 HA3 GLY 12 HA3 GLY 12 10.855 1.354 5.575
75 H TYR 13 H TYR 13 8.559 -0.130 4.397
76 HA TYR 13 HA TYR 13 7.025 -0.282 6.832
77 HB2 TYR 13 HB2 TYR 13 6.076 0.784 4.847
78 HB3 TYR 13 HB3 TYR 13 6.185 -0.701 3.940
79 HD1 TYR 13 HD1 TYR 13 4.239 1.287 6.184
80 HD2 TYR 13 HD2 TYR 13 4.653 -2.670 4.696
81 HE1 TYR 13 HE1 TYR 13 1.958 0.788 6.902
82 HE2 TYR 13 HE2 TYR 13 2.370 -3.186 5.403
83 HH TYR 13 HH TYR 13 0.153 -0.880 6.123
84 H SER 14 H SER 14 6.502 -2.078 7.879
85 HA SER 14 HA SER 14 7.038 -4.668 6.590
86 HB2 SER 14 HB2 SER 14 7.457 -4.055 9.501
87 HB3 SER 14 HB3 SER 14 8.123 -5.396 8.556
88 H GLY 15 H GLY 15 4.854 -5.223 6.238
89 HA2 GLY 15 HA2 GLY 15 3.351 -6.201 8.357
90 HA3 GLY 15 HA3 GLY 15 2.777 -4.574 8.011
91 HA PRO 16 HA PRO 16 0.208 -7.119 5.268
92 HB2 PRO 16 HB2 PRO 16 -1.420 -4.720 5.034
93 HB3 PRO 16 HB3 PRO 16 -1.867 -6.296 5.674
94 HG2 PRO 16 HG2 PRO 16 -1.585 -4.104 7.246
95 HG3 PRO 16 HG3 PRO 16 -1.253 -5.749 7.814
96 HD2 PRO 16 HD2 PRO 16 0.653 -3.614 6.964
97 HD3 PRO 16 HD3 PRO 16 0.780 -4.801 8.283
98 H THR 17 H THR 17 0.846 -7.329 3.239
99 HA THR 17 HA THR 17 1.437 -4.913 1.726
100 HB THR 17 HB THR 17 2.789 -6.495 0.300
101 HG1 THR 17 HG1 THR 17 2.693 -8.506 0.792
102 HG21 THR 17 HG21 THR 17 3.819 -4.979 1.910
103 HG22 THR 17 HG22 THR 17 4.678 -6.524 1.902
104 HG23 THR 17 HG23 THR 17 3.546 -6.142 3.202
105 H VAL 18 H VAL 18 -0.700 -7.540 1.948
106 HA VAL 18 HA VAL 18 -1.484 -7.353 -0.857
107 HB VAL 18 HB VAL 18 -2.501 -9.244 1.299
108 HG11 VAL 18 HG11 VAL 18 -4.133 -8.900 -0.475
109 HG12 VAL 18 HG12 VAL 18 -3.456 -10.529 -0.568
110 HG13 VAL 18 HG13 VAL 18 -2.914 -9.283 -1.690
111 HG21 VAL 18 HG21 VAL 18 -1.166 -10.978 0.177
112 HG22 VAL 18 HG22 VAL 18 -0.151 -9.684 0.813
113 HG23 VAL 18 HG23 VAL 18 -0.504 -9.759 -0.912
114 H CYS 19 H CYS 19 -2.929 -5.837 -1.274
115 HA CYS 19 HA CYS 19 -4.453 -4.613 0.798
116 HB2 CYS 19 HB2 CYS 19 -4.550 -4.204 -2.191
117 HB3 CYS 19 HB3 CYS 19 -5.225 -3.137 -0.965
118 H ALA 20 H ALA 20 -6.818 -4.220 0.461
119 HA ALA 20 HA ALA 20 -8.267 -6.609 0.503
120 HB1 ALA 20 HB1 ALA 20 -8.974 -4.559 1.649
121 HB2 ALA 20 HB2 ALA 20 -10.247 -5.182 0.603
122 HB3 ALA 20 HB3 ALA 20 -9.285 -3.796 0.091
123 H SER 21 H SER 21 -10.132 -7.136 -0.916
124 HA SER 21 HA SER 21 -9.336 -7.600 -3.527
125 HB2 SER 21 HB2 SER 21 -12.127 -7.607 -2.375
126 HB3 SER 21 HB3 SER 21 -11.562 -8.510 -3.782
127 HG SER 21 HG SER 21 -10.442 -9.833 -2.545
128 H GLY 22 H GLY 22 -9.267 -6.247 -5.194
129 HA2 GLY 22 HA2 GLY 22 -10.374 -4.850 -6.770
130 HA3 GLY 22 HA3 GLY 22 -11.356 -4.214 -5.456
131 H THR 23 H THR 23 -8.394 -4.346 -4.161
132 HA THR 23 HA THR 23 -7.684 -1.705 -5.206
133 HB THR 23 HB THR 23 -6.826 -1.075 -2.950
134 HG1 THR 23 HG1 THR 23 -7.509 -3.744 -2.383
135 HG21 THR 23 HG21 THR 23 -9.145 -0.535 -3.489
136 HG22 THR 23 HG22 THR 23 -8.962 -0.905 -1.776
137 HG23 THR 23 HG23 THR 23 -9.663 -2.101 -2.871
138 H THR 24 H THR 24 -5.495 -1.312 -5.574
139 HA THR 24 HA THR 24 -3.844 -3.735 -5.493
140 HB THR 24 HB THR 24 -2.697 -2.736 -7.525
141 HG1 THR 24 HG1 THR 24 -4.807 -0.890 -7.210
142 HG21 THR 24 HG21 THR 24 -4.413 -3.586 -9.083
143 HG22 THR 24 HG22 THR 24 -5.593 -3.563 -7.773
144 HG23 THR 24 HG23 THR 24 -4.204 -4.647 -7.693
145 H CYS 25 H CYS 25 -1.720 -3.540 -4.900
146 HA CYS 25 HA CYS 25 -1.068 -1.203 -3.348
147 HB2 CYS 25 HB2 CYS 25 -0.506 -3.420 -2.471
148 HB3 CYS 25 HB3 CYS 25 0.497 -3.738 -3.882
149 H GLN 26 H GLN 26 -0.603 0.511 -4.632
150 HA GLN 26 HA GLN 26 1.328 0.097 -6.801
151 HB2 GLN 26 HB2 GLN 26 -0.577 2.402 -6.355
152 HB3 GLN 26 HB3 GLN 26 0.499 2.204 -7.729
153 HG2 GLN 26 HG2 GLN 26 -0.730 0.175 -8.378
154 HG3 GLN 26 HG3 GLN 26 -1.817 0.416 -7.015
155 HE21 GLN 26 HE21 GLN 26 -3.605 0.624 -8.312
156 HE22 GLN 26 HE22 GLN 26 -3.903 2.010 -9.288
157 H VAL 27 H VAL 27 3.244 1.034 -6.719
158 HA VAL 27 HA VAL 27 4.069 2.339 -4.307
159 HB VAL 27 HB VAL 27 5.585 1.847 -6.896
160 HG11 VAL 27 HG11 VAL 27 6.600 3.632 -5.580
161 HG12 VAL 27 HG12 VAL 27 7.613 2.186 -5.554
162 HG13 VAL 27 HG13 VAL 27 6.616 2.591 -4.158
163 HG21 VAL 27 HG21 VAL 27 4.853 -0.233 -5.874
164 HG22 VAL 27 HG22 VAL 27 5.542 0.265 -4.329
165 HG23 VAL 27 HG23 VAL 27 6.599 -0.049 -5.705
166 H LEU 28 H LEU 28 3.771 4.418 -3.982
167 HA LEU 28 HA LEU 28 3.246 6.182 -6.265
168 HB2 LEU 28 HB2 LEU 28 2.860 6.690 -3.314
169 HB3 LEU 28 HB3 LEU 28 2.360 7.750 -4.611
170 HG LEU 28 HG LEU 28 1.204 5.039 -3.968
171 HD11 LEU 28 HD11 LEU 28 0.116 7.827 -3.720
172 HD12 LEU 28 HD12 LEU 28 0.528 6.734 -2.396
173 HD13 LEU 28 HD13 LEU 28 -0.813 6.353 -3.475
174 HD21 LEU 28 HD21 LEU 28 0.464 7.014 -6.109
175 HD22 LEU 28 HD22 LEU 28 -0.440 5.553 -5.686
176 HD23 LEU 28 HD23 LEU 28 1.186 5.418 -6.360
177 H ASN 29 H ASN 29 5.022 6.138 -3.223
178 HA ASN 29 HA ASN 29 6.899 8.157 -4.281
179 HB2 ASN 29 HB2 ASN 29 6.297 7.491 -1.358
180 HB3 ASN 29 HB3 ASN 29 7.393 8.718 -1.925
181 HD21 ASN 29 HD21 ASN 29 4.151 8.238 -3.194
182 HD22 ASN 29 HD22 ASN 29 3.467 9.671 -2.544
183 HA PRO 30 HA PRO 30 10.192 5.122 -3.845
184 HB2 PRO 30 HB2 PRO 30 11.371 6.602 -1.537
185 HB3 PRO 30 HB3 PRO 30 12.143 6.020 -3.017
186 HG2 PRO 30 HG2 PRO 30 11.596 8.594 -2.737
187 HG3 PRO 30 HG3 PRO 30 11.335 7.783 -4.293
188 HD2 PRO 30 HD2 PRO 30 9.356 8.603 -2.224
189 HD3 PRO 30 HD3 PRO 30 9.213 8.647 -3.995
190 H TYR 31 H TYR 31 9.024 6.232 -0.662
191 HA TYR 31 HA TYR 31 9.275 3.474 0.304
192 HB2 TYR 31 HB2 TYR 31 8.964 6.033 1.911
193 HB3 TYR 31 HB3 TYR 31 9.124 4.418 2.571
194 HD1 TYR 31 HD1 TYR 31 10.915 7.103 0.759
195 HD2 TYR 31 HD2 TYR 31 11.239 3.406 2.806
196 HE1 TYR 31 HE1 TYR 31 13.351 7.365 0.844
197 HE2 TYR 31 HE2 TYR 31 13.669 3.646 2.890
198 HH TYR 31 HH TYR 31 15.446 4.817 1.670
199 H TYR 32 H TYR 32 6.999 5.946 -0.486
200 HA TYR 32 HA TYR 32 4.918 4.631 1.058
201 HB2 TYR 32 HB2 TYR 32 5.141 7.199 0.845
202 HB3 TYR 32 HB3 TYR 32 4.482 6.964 -0.760
203 HD1 TYR 32 HD1 TYR 32 3.743 6.138 2.767
204 HD2 TYR 32 HD2 TYR 32 2.183 7.026 -1.091
205 HE1 TYR 32 HE1 TYR 32 1.481 6.207 3.711
206 HE2 TYR 32 HE2 TYR 32 -0.087 7.097 -0.150
207 HH TYR 32 HH TYR 32 -1.322 6.380 1.710
208 H SER 33 H SER 33 3.975 2.955 0.241
209 HA SER 33 HA SER 33 3.136 2.937 -2.572
210 HB2 SER 33 HB2 SER 33 3.532 0.589 -0.678
211 HB3 SER 33 HB3 SER 33 3.188 0.501 -2.408
212 HG SER 33 HG SER 33 5.417 0.185 -1.800
213 H GLN 34 H GLN 34 0.849 2.589 -2.826
214 HA GLN 34 HA GLN 34 -0.624 2.374 -0.308
215 HB2 GLN 34 HB2 GLN 34 -0.362 4.745 -0.758
216 HB3 GLN 34 HB3 GLN 34 -1.027 4.538 -2.367
217 HG2 GLN 34 HG2 GLN 34 -3.180 4.025 -1.478
218 HG3 GLN 34 HG3 GLN 34 -2.545 3.980 0.163
219 HE21 GLN 34 HE21 GLN 34 -3.559 5.993 -2.437
220 HE22 GLN 34 HE22 GLN 34 -3.463 7.490 -1.587
221 H CYS 35 H CYS 35 -2.597 1.386 -0.417
222 HA CYS 35 HA CYS 35 -3.165 -0.210 -2.697
223 HB2 CYS 35 HB2 CYS 35 -4.955 0.300 -0.314
224 HB3 CYS 35 HB3 CYS 35 -5.016 -1.012 -1.458
225 H LEU 36 H LEU 36 -3.999 0.631 -4.415
226 HA LEU 36 HA LEU 36 -6.136 2.610 -4.210
227 HB2 LEU 36 HB2 LEU 36 -4.110 2.149 -6.395
228 HB3 LEU 36 HB3 LEU 36 -5.471 3.243 -6.516
229 HG LEU 36 HG LEU 36 -3.197 3.525 -4.550
230 HD11 LEU 36 HD11 LEU 36 -2.474 3.907 -6.833
231 HD12 LEU 36 HD12 LEU 36 -2.539 5.422 -5.927
232 HD13 LEU 36 HD13 LEU 36 -3.814 5.026 -7.081
233 HD21 LEU 36 HD21 LEU 36 -4.161 5.769 -4.183
234 HD22 LEU 36 HD22 LEU 36 -5.240 4.476 -3.669
235 HD23 LEU 36 HD23 LEU 36 -5.537 5.321 -5.190
236 H1 MAN 101 H1 MAN 101 9.505 -3.486 10.220
237 H2 MAN 101 H2 MAN 101 10.479 -1.630 8.596
238 H3 MAN 101 H3 MAN 101 12.548 -1.959 7.750
239 H4 MAN 101 H4 MAN 101 12.889 -4.305 6.843
240 H5 MAN 101 H5 MAN 101 10.514 -5.578 7.290
241 H61 MAN 101 H61 MAN 101 12.820 -6.527 7.316
242 H62 MAN 101 H62 MAN 101 11.713 -7.246 8.519
243 HO2 MAN 101 HO2 MAN 101 11.856 -2.866 10.761
244 HO3 MAN 101 HO3 MAN 101 13.029 -4.051 9.612
245 HO4 MAN 101 HO4 MAN 101 11.575 -2.772 5.822
246 HO6 MAN 101 HO6 MAN 101 12.594 -5.884 10.074
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