Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616860 | 5x38 RC | 36054 | 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 4.537 1.667 8.883
2 H2 THR 1 H2 THR 1 4.302 2.652 10.283
3 H3 THR 1 H3 THR 1 5.466 3.053 9.130
4 HA THR 1 HA THR 1 2.598 2.991 8.630
5 HB THR 1 HB THR 1 4.423 5.372 9.014
6 HG1 THR 1 HG1 THR 1 3.171 5.363 11.121
7 HG21 THR 1 HG21 THR 1 2.291 6.538 9.371
8 HG22 THR 1 HG22 THR 1 1.420 5.022 9.142
9 HG23 THR 1 HG23 THR 1 2.303 5.740 7.797
10 H GLN 2 H GLN 2 2.226 2.944 6.487
11 HA GLN 2 HA GLN 2 4.371 2.599 4.667
12 HB2 GLN 2 HB2 GLN 2 2.188 1.406 4.522
13 HB3 GLN 2 HB3 GLN 2 1.419 2.926 4.129
14 HG2 GLN 2 HG2 GLN 2 1.789 1.625 2.128
15 HG3 GLN 2 HG3 GLN 2 2.753 3.101 2.098
16 HE21 GLN 2 HE21 GLN 2 2.801 -0.332 2.301
17 HE22 GLN 2 HE22 GLN 2 4.481 -0.535 2.029
18 H SER 3 H SER 3 5.375 4.049 3.506
19 HA SER 3 HA SER 3 4.694 6.775 3.643
20 HB2 SER 3 HB2 SER 3 6.691 7.168 2.376
21 HB3 SER 3 HB3 SER 3 7.042 5.957 3.593
22 H HIS 4 H HIS 4 4.803 8.062 1.556
23 HA HIS 4 HA HIS 4 2.434 7.621 0.118
24 HB2 HIS 4 HB2 HIS 4 3.687 9.816 0.633
25 HB3 HIS 4 HB3 HIS 4 4.704 9.417 -0.741
26 HD1 HIS 4 HD1 HIS 4 3.885 11.559 -1.962
27 HD2 HIS 4 HD2 HIS 4 0.875 8.864 -1.066
28 HE1 HIS 4 HE1 HIS 4 1.834 12.421 -3.127
29 HE2 HIS 4 HE2 HIS 4 0.007 10.971 -2.238
30 H TYR 5 H TYR 5 2.049 6.599 -1.775
31 HA TYR 5 HA TYR 5 2.239 5.497 -3.658
32 HB2 TYR 5 HB2 TYR 5 5.154 6.302 -3.706
33 HB3 TYR 5 HB3 TYR 5 4.394 5.341 -4.958
34 HD1 TYR 5 HD1 TYR 5 2.719 6.321 -6.452
35 HD2 TYR 5 HD2 TYR 5 4.705 8.681 -3.532
36 HE1 TYR 5 HE1 TYR 5 1.970 8.361 -7.599
37 HE2 TYR 5 HE2 TYR 5 3.957 10.722 -4.669
38 HH TYR 5 HH TYR 5 3.250 11.413 -6.870
39 H GLY 6 H GLY 6 3.289 4.501 -0.856
40 HA2 GLY 6 HA2 GLY 6 4.408 1.981 -1.744
41 HA3 GLY 6 HA3 GLY 6 4.089 2.467 -0.082
42 H GLN 7 H GLN 7 3.425 -0.044 -1.099
43 HA GLN 7 HA GLN 7 0.629 -0.097 -1.747
44 HB2 GLN 7 HB2 GLN 7 2.178 -1.799 -2.653
45 HB3 GLN 7 HB3 GLN 7 2.536 -2.342 -1.026
46 HG2 GLN 7 HG2 GLN 7 0.222 -3.083 -0.757
47 HG3 GLN 7 HG3 GLN 7 -0.146 -2.522 -2.384
48 HE21 GLN 7 HE21 GLN 7 -0.758 -4.707 -3.033
49 HE22 GLN 7 HE22 GLN 7 0.459 -5.868 -3.292
50 H CYS 8 H CYS 8 -0.851 0.228 -0.288
51 HA CYS 8 HA CYS 8 -0.180 0.081 2.541
52 HB2 CYS 8 HB2 CYS 8 -2.371 1.238 2.826
53 HB3 CYS 8 HB3 CYS 8 -1.170 2.101 1.868
54 H GLY 9 H GLY 9 -1.352 -2.148 0.521
55 HA2 GLY 9 HA2 GLY 9 -1.872 -4.204 1.896
56 HA3 GLY 9 HA3 GLY 9 -3.061 -3.190 2.683
57 H GLY 10 H GLY 10 -2.218 -4.911 -0.185
58 HA2 GLY 10 HA2 GLY 10 -4.994 -4.757 -1.092
59 HA3 GLY 10 HA3 GLY 10 -3.629 -5.421 -1.999
60 H ILE 11 H ILE 11 -5.478 -7.169 -2.039
61 HA ILE 11 HA ILE 11 -5.926 -8.838 0.133
62 HB ILE 11 HB ILE 11 -5.690 -9.549 -2.804
63 HG12 ILE 11 HG12 ILE 11 -8.123 -9.097 -1.062
64 HG13 ILE 11 HG13 ILE 11 -7.476 -7.944 -2.225
65 HG21 ILE 11 HG21 ILE 11 -5.334 -11.552 -1.503
66 HG22 ILE 11 HG22 ILE 11 -6.920 -11.615 -2.278
67 HG23 ILE 11 HG23 ILE 11 -6.789 -11.240 -0.553
68 HD11 ILE 11 HD11 ILE 11 -8.613 -10.659 -2.858
69 HD12 ILE 11 HD12 ILE 11 -7.955 -9.520 -4.033
70 HD13 ILE 11 HD13 ILE 11 -9.406 -9.104 -3.118
71 H GLY 12 H GLY 12 -4.525 -9.843 1.400
72 HA2 GLY 12 HA2 GLY 12 -2.989 -11.569 1.803
73 HA3 GLY 12 HA3 GLY 12 -2.387 -11.379 0.167
74 H TYR 13 H TYR 13 -2.371 -8.330 0.976
75 HA TYR 13 HA TYR 13 0.422 -8.461 1.701
76 HB2 TYR 13 HB2 TYR 13 -0.374 -6.828 -0.010
77 HB3 TYR 13 HB3 TYR 13 -1.312 -6.023 1.239
78 HD1 TYR 13 HD1 TYR 13 -0.178 -4.569 2.877
79 HD2 TYR 13 HD2 TYR 13 2.017 -6.659 -0.092
80 HE1 TYR 13 HE1 TYR 13 1.753 -3.143 3.317
81 HE2 TYR 13 HE2 TYR 13 3.972 -5.235 0.345
82 HH TYR 13 HH TYR 13 4.261 -2.845 1.238
83 H SER 14 H SER 14 0.828 -8.878 3.742
84 HA SER 14 HA SER 14 -0.845 -7.740 5.856
85 HB2 SER 14 HB2 SER 14 1.216 -9.855 5.936
86 HB3 SER 14 HB3 SER 14 0.100 -9.465 7.253
87 HG SER 14 HG SER 14 -1.305 -9.889 5.022
88 H GLY 15 H GLY 15 1.531 -6.516 4.286
89 HA2 GLY 15 HA2 GLY 15 3.466 -5.993 6.387
90 HA3 GLY 15 HA3 GLY 15 3.504 -5.354 4.746
91 HA PRO 16 HA PRO 16 2.378 -1.780 7.478
92 HB2 PRO 16 HB2 PRO 16 3.282 0.092 5.641
93 HB3 PRO 16 HB3 PRO 16 4.246 -0.597 6.948
94 HG2 PRO 16 HG2 PRO 16 4.183 -1.336 4.059
95 HG3 PRO 16 HG3 PRO 16 5.560 -1.254 5.167
96 HD2 PRO 16 HD2 PRO 16 4.424 -3.579 4.446
97 HD3 PRO 16 HD3 PRO 16 5.129 -3.340 6.056
98 H THR 17 H THR 17 0.299 -1.321 7.461
99 HA THR 17 HA THR 17 -1.103 -1.148 4.894
100 HB THR 17 HB THR 17 -3.113 -1.648 6.426
101 HG1 THR 17 HG1 THR 17 -1.092 -2.783 8.069
102 HG21 THR 17 HG21 THR 17 -0.969 -3.743 5.972
103 HG22 THR 17 HG22 THR 17 -2.189 -3.255 4.802
104 HG23 THR 17 HG23 THR 17 -2.673 -4.077 6.284
105 H VAL 18 H VAL 18 -0.467 0.573 7.839
106 HA VAL 18 HA VAL 18 -2.528 2.528 7.244
107 HB VAL 18 HB VAL 18 -0.470 2.503 9.473
108 HG11 VAL 18 HG11 VAL 18 -1.905 4.176 10.547
109 HG12 VAL 18 HG12 VAL 18 -2.987 4.141 9.158
110 HG13 VAL 18 HG13 VAL 18 -1.338 4.745 8.976
111 HG21 VAL 18 HG21 VAL 18 -3.356 1.649 9.479
112 HG22 VAL 18 HG22 VAL 18 -2.316 1.768 10.897
113 HG23 VAL 18 HG23 VAL 18 -1.953 0.591 9.633
114 H CYS 19 H CYS 19 -2.137 4.326 6.162
115 HA CYS 19 HA CYS 19 0.506 4.768 5.094
116 HB2 CYS 19 HB2 CYS 19 -2.060 6.289 4.642
117 HB3 CYS 19 HB3 CYS 19 -0.581 6.403 3.694
118 H ALA 20 H ALA 20 1.517 6.848 5.148
119 HA ALA 20 HA ALA 20 1.728 8.089 7.649
120 HB1 ALA 20 HB1 ALA 20 2.388 9.252 4.939
121 HB2 ALA 20 HB2 ALA 20 3.460 8.238 5.897
122 HB3 ALA 20 HB3 ALA 20 2.997 9.834 6.486
123 H SER 21 H SER 21 0.911 10.046 8.448
124 HA SER 21 HA SER 21 -1.767 10.594 7.903
125 HB2 SER 21 HB2 SER 21 0.273 12.365 9.252
126 HB3 SER 21 HB3 SER 21 -1.482 12.509 9.387
127 HG SER 21 HG SER 21 -0.628 9.990 9.901
128 H GLY 22 H GLY 22 -2.647 11.556 6.224
129 HA2 GLY 22 HA2 GLY 22 -2.848 13.621 4.970
130 HA3 GLY 22 HA3 GLY 22 -1.093 13.598 4.786
131 H THR 23 H THR 23 -1.311 10.601 4.520
132 HA THR 23 HA THR 23 -2.162 10.625 1.721
133 HB THR 23 HB THR 23 -0.666 8.702 1.338
134 HG1 THR 23 HG1 THR 23 -0.326 8.902 4.113
135 HG21 THR 23 HG21 THR 23 0.233 10.937 0.969
136 HG22 THR 23 HG22 THR 23 1.489 9.861 1.575
137 HG23 THR 23 HG23 THR 23 0.728 11.025 2.658
138 H THR 24 H THR 24 -3.455 8.986 1.011
139 HA THR 24 HA THR 24 -4.788 7.530 3.174
140 HB THR 24 HB THR 24 -6.859 7.744 1.752
141 HG1 THR 24 HG1 THR 24 -5.030 9.194 0.170
142 HG21 THR 24 HG21 THR 24 -7.325 10.046 2.441
143 HG22 THR 24 HG22 THR 24 -5.602 10.332 2.679
144 HG23 THR 24 HG23 THR 24 -6.456 9.188 3.715
145 H CYS 25 H CYS 25 -5.280 5.408 2.813
146 HA CYS 25 HA CYS 25 -3.828 4.056 0.778
147 HB2 CYS 25 HB2 CYS 25 -4.227 3.004 2.987
148 HB3 CYS 25 HB3 CYS 25 -5.960 3.001 2.664
149 H GLN 26 H GLN 26 -4.422 4.016 -1.249
150 HA GLN 26 HA GLN 26 -7.255 4.161 -1.944
151 HB2 GLN 26 HB2 GLN 26 -4.773 4.668 -3.591
152 HB3 GLN 26 HB3 GLN 26 -6.424 4.802 -4.177
153 HG2 GLN 26 HG2 GLN 26 -5.224 6.454 -1.970
154 HG3 GLN 26 HG3 GLN 26 -5.425 6.974 -3.643
155 HE21 GLN 26 HE21 GLN 26 -6.521 8.028 -1.172
156 HE22 GLN 26 HE22 GLN 26 -8.228 8.048 -1.410
157 H VAL 27 H VAL 27 -8.063 2.206 -2.220
158 HA VAL 27 HA VAL 27 -6.449 -0.010 -3.075
159 HB VAL 27 HB VAL 27 -9.477 0.162 -2.859
160 HG11 VAL 27 HG11 VAL 27 -7.658 -2.240 -2.980
161 HG12 VAL 27 HG12 VAL 27 -8.718 -1.680 -4.267
162 HG13 VAL 27 HG13 VAL 27 -9.410 -2.286 -2.759
163 HG21 VAL 27 HG21 VAL 27 -9.215 -0.958 -0.685
164 HG22 VAL 27 HG22 VAL 27 -8.426 0.621 -0.702
165 HG23 VAL 27 HG23 VAL 27 -7.462 -0.847 -0.848
166 H LEU 28 H LEU 28 -5.690 0.238 -5.046
167 HA LEU 28 HA LEU 28 -7.249 1.458 -7.158
168 HB2 LEU 28 HB2 LEU 28 -4.507 0.202 -7.294
169 HB3 LEU 28 HB3 LEU 28 -5.240 1.212 -8.516
170 HG LEU 28 HG LEU 28 -4.341 2.106 -5.772
171 HD11 LEU 28 HD11 LEU 28 -3.268 2.705 -8.518
172 HD12 LEU 28 HD12 LEU 28 -2.509 1.687 -7.295
173 HD13 LEU 28 HD13 LEU 28 -2.699 3.416 -7.009
174 HD21 LEU 28 HD21 LEU 28 -6.311 3.359 -6.471
175 HD22 LEU 28 HD22 LEU 28 -5.532 3.689 -8.029
176 HD23 LEU 28 HD23 LEU 28 -4.844 4.349 -6.544
177 H ASN 29 H ASN 29 -5.997 -1.674 -6.248
178 HA ASN 29 HA ASN 29 -7.765 -2.962 -8.167
179 HB2 ASN 29 HB2 ASN 29 -4.835 -3.731 -7.818
180 HB3 ASN 29 HB3 ASN 29 -6.013 -4.536 -8.839
181 HD21 ASN 29 HD21 ASN 29 -3.872 -1.865 -8.513
182 HD22 ASN 29 HD22 ASN 29 -4.006 -1.279 -10.125
183 HA PRO 30 HA PRO 30 -8.545 -5.743 -4.774
184 HB2 PRO 30 HB2 PRO 30 -7.429 -7.989 -6.403
185 HB3 PRO 30 HB3 PRO 30 -8.957 -7.904 -5.514
186 HG2 PRO 30 HG2 PRO 30 -8.968 -7.640 -8.139
187 HG3 PRO 30 HG3 PRO 30 -9.974 -6.577 -7.141
188 HD2 PRO 30 HD2 PRO 30 -7.386 -6.003 -8.505
189 HD3 PRO 30 HD3 PRO 30 -8.790 -4.949 -8.319
190 H TYR 31 H TYR 31 -5.399 -6.492 -6.360
191 HA TYR 31 HA TYR 31 -4.396 -7.072 -3.668
192 HB2 TYR 31 HB2 TYR 31 -3.217 -7.605 -6.385
193 HB3 TYR 31 HB3 TYR 31 -2.325 -7.826 -4.890
194 HD1 TYR 31 HD1 TYR 31 -5.466 -8.931 -6.582
195 HD2 TYR 31 HD2 TYR 31 -2.374 -9.896 -3.842
196 HE1 TYR 31 HE1 TYR 31 -6.305 -11.248 -6.443
197 HE2 TYR 31 HE2 TYR 31 -3.203 -12.188 -3.686
198 HH TYR 31 HH TYR 31 -5.210 -13.421 -4.042
199 H TYR 32 H TYR 32 -4.046 -4.677 -6.202
200 HA TYR 32 HA TYR 32 -1.904 -3.571 -4.616
201 HB2 TYR 32 HB2 TYR 32 -1.437 -3.740 -7.027
202 HB3 TYR 32 HB3 TYR 32 -2.697 -2.539 -7.331
203 HD1 TYR 32 HD1 TYR 32 0.373 -3.065 -5.316
204 HD2 TYR 32 HD2 TYR 32 -2.108 -0.283 -7.339
205 HE1 TYR 32 HE1 TYR 32 1.983 -1.303 -4.811
206 HE2 TYR 32 HE2 TYR 32 -0.510 1.516 -6.840
207 HH TYR 32 HH TYR 32 2.637 0.830 -5.570
208 H SER 33 H SER 33 -2.236 -2.207 -3.117
209 HA SER 33 HA SER 33 -4.219 -0.089 -3.538
210 HB2 SER 33 HB2 SER 33 -3.371 -1.320 -0.893
211 HB3 SER 33 HB3 SER 33 -4.627 -0.112 -1.133
212 HG SER 33 HG SER 33 -5.177 -2.472 -0.915
213 H GLN 34 H GLN 34 -3.351 1.987 -3.160
214 HA GLN 34 HA GLN 34 -0.527 2.079 -2.319
215 HB2 GLN 34 HB2 GLN 34 -0.492 2.237 -4.712
216 HB3 GLN 34 HB3 GLN 34 -1.778 3.433 -4.709
217 HG2 GLN 34 HG2 GLN 34 -0.333 5.063 -3.730
218 HG3 GLN 34 HG3 GLN 34 0.953 3.865 -3.532
219 HE21 GLN 34 HE21 GLN 34 2.163 3.312 -5.308
220 HE22 GLN 34 HE22 GLN 34 2.089 4.161 -6.805
221 H CYS 35 H CYS 35 0.031 3.731 -0.988
222 HA CYS 35 HA CYS 35 -2.057 5.390 0.094
223 HB2 CYS 35 HB2 CYS 35 0.920 5.626 0.622
224 HB3 CYS 35 HB3 CYS 35 -0.394 6.338 1.525
225 H LEU 36 H LEU 36 -2.746 7.114 -0.850
226 HA LEU 36 HA LEU 36 -0.871 8.839 -2.252
227 HB2 LEU 36 HB2 LEU 36 -3.701 8.149 -3.006
228 HB3 LEU 36 HB3 LEU 36 -2.824 9.500 -3.696
229 HG LEU 36 HG LEU 36 -1.957 6.618 -3.921
230 HD11 LEU 36 HD11 LEU 36 -3.290 8.402 -5.946
231 HD12 LEU 36 HD12 LEU 36 -4.008 6.994 -5.150
232 HD13 LEU 36 HD13 LEU 36 -2.639 6.788 -6.240
233 HD21 LEU 36 HD21 LEU 36 -0.090 8.191 -4.020
234 HD22 LEU 36 HD22 LEU 36 -0.940 9.134 -5.242
235 HD23 LEU 36 HD23 LEU 36 -0.405 7.495 -5.607
236 H2 BGC 101 H2 BGC 101 8.668 3.479 0.696
237 H3 BGC 101 H3 BGC 101 6.483 1.375 1.028
238 H4 BGC 101 H4 BGC 101 9.274 1.684 2.168
239 H5 BGC 101 H5 BGC 101 6.470 1.762 3.420
240 H6C1 BGC 101 H61 BGC 101 9.269 2.039 4.610
241 H6C2 BGC 101 H62 BGC 101 8.075 0.781 4.983
242 H1 BGC 101 H1 BGC 101 5.873 3.577 1.883
243 HB BGC 101 HO2 BGC 101 7.010 4.467 -0.568
244 HC BGC 101 HO3 BGC 101 8.080 0.013 0.137
245 HD BGC 101 HO4 BGC 101 8.727 -0.261 3.232
246 H6 BGC 101 HO6 BGC 101 7.749 3.575 5.520
Start of MODEL 2
1 H1 THR 1 H1 THR 1 3.925 1.787 10.051
2 H2 THR 1 H2 THR 1 5.225 1.760 8.970
3 H3 THR 1 H3 THR 1 3.885 0.780 8.694
4 HA THR 1 HA THR 1 2.532 2.666 8.334
5 HB THR 1 HB THR 1 5.015 4.296 8.905
6 HG1 THR 1 HG1 THR 1 3.708 4.860 10.823
7 HG21 THR 1 HG21 THR 1 3.372 5.357 7.385
8 HG22 THR 1 HG22 THR 1 3.449 6.188 8.936
9 HG23 THR 1 HG23 THR 1 2.108 5.098 8.588
10 H GLN 2 H GLN 2 2.283 3.254 6.244
11 HA GLN 2 HA GLN 2 4.429 2.539 4.406
12 HB2 GLN 2 HB2 GLN 2 2.245 1.372 4.197
13 HB3 GLN 2 HB3 GLN 2 1.471 2.921 3.921
14 HG2 GLN 2 HG2 GLN 2 1.842 1.676 1.854
15 HG3 GLN 2 HG3 GLN 2 2.699 3.215 1.875
16 HE21 GLN 2 HE21 GLN 2 3.036 -0.228 1.907
17 HE22 GLN 2 HE22 GLN 2 4.729 -0.249 1.635
18 H SER 3 H SER 3 5.459 4.115 3.356
19 HA SER 3 HA SER 3 4.780 6.817 3.707
20 HB2 SER 3 HB2 SER 3 6.741 7.302 2.374
21 HB3 SER 3 HB3 SER 3 7.124 5.997 3.475
22 H HIS 4 H HIS 4 4.898 8.269 1.564
23 HA HIS 4 HA HIS 4 2.386 7.860 0.329
24 HB2 HIS 4 HB2 HIS 4 3.584 10.084 0.820
25 HB3 HIS 4 HB3 HIS 4 4.540 9.762 -0.617
26 HD1 HIS 4 HD1 HIS 4 3.418 12.083 -1.440
27 HD2 HIS 4 HD2 HIS 4 0.845 8.860 -1.065
28 HE1 HIS 4 HE1 HIS 4 1.304 12.767 -2.591
29 HE2 HIS 4 HE2 HIS 4 -0.306 10.966 -1.864
30 H TYR 5 H TYR 5 1.879 6.901 -1.533
31 HA TYR 5 HA TYR 5 1.946 5.922 -3.480
32 HB2 TYR 5 HB2 TYR 5 4.787 6.913 -3.690
33 HB3 TYR 5 HB3 TYR 5 4.049 5.890 -4.917
34 HD1 TYR 5 HD1 TYR 5 2.194 6.707 -6.260
35 HD2 TYR 5 HD2 TYR 5 4.166 9.244 -3.488
36 HE1 TYR 5 HE1 TYR 5 1.189 8.659 -7.348
37 HE2 TYR 5 HE2 TYR 5 3.162 11.213 -4.573
38 HH TYR 5 HH TYR 5 2.215 11.828 -6.723
39 H GLY 6 H GLY 6 3.156 4.785 -0.837
40 HA2 GLY 6 HA2 GLY 6 4.298 2.379 -1.975
41 HA3 GLY 6 HA3 GLY 6 4.069 2.731 -0.261
42 H GLN 7 H GLN 7 3.365 0.323 -1.699
43 HA GLN 7 HA GLN 7 0.500 0.236 -1.866
44 HB2 GLN 7 HB2 GLN 7 1.983 -1.279 -3.193
45 HB3 GLN 7 HB3 GLN 7 2.520 -2.025 -1.699
46 HG2 GLN 7 HG2 GLN 7 0.183 -2.737 -1.269
47 HG3 GLN 7 HG3 GLN 7 -0.258 -2.080 -2.842
48 HE21 GLN 7 HE21 GLN 7 -0.459 -4.817 -1.943
49 HE22 GLN 7 HE22 GLN 7 0.462 -5.767 -3.012
50 H CYS 8 H CYS 8 -0.671 0.428 -0.028
51 HA CYS 8 HA CYS 8 0.494 -0.022 2.537
52 HB2 CYS 8 HB2 CYS 8 -1.620 0.589 3.494
53 HB3 CYS 8 HB3 CYS 8 -1.421 1.603 2.073
54 H GLY 9 H GLY 9 -1.760 -1.773 0.513
55 HA2 GLY 9 HA2 GLY 9 -0.985 -4.235 0.926
56 HA3 GLY 9 HA3 GLY 9 -1.818 -3.910 2.438
57 H GLY 10 H GLY 10 -2.110 -5.156 -0.529
58 HA2 GLY 10 HA2 GLY 10 -4.982 -4.691 -0.774
59 HA3 GLY 10 HA3 GLY 10 -3.907 -5.459 -1.940
60 H ILE 11 H ILE 11 -5.557 -7.149 -1.857
61 HA ILE 11 HA ILE 11 -5.984 -8.788 0.344
62 HB ILE 11 HB ILE 11 -5.828 -9.541 -2.590
63 HG12 ILE 11 HG12 ILE 11 -8.209 -8.931 -0.824
64 HG13 ILE 11 HG13 ILE 11 -7.530 -7.844 -2.030
65 HG21 ILE 11 HG21 ILE 11 -7.133 -11.523 -2.004
66 HG22 ILE 11 HG22 ILE 11 -6.981 -11.108 -0.289
67 HG23 ILE 11 HG23 ILE 11 -5.544 -11.505 -1.241
68 HD11 ILE 11 HD11 ILE 11 -8.127 -9.444 -3.788
69 HD12 ILE 11 HD12 ILE 11 -9.528 -8.930 -2.854
70 HD13 ILE 11 HD13 ILE 11 -8.810 -10.515 -2.563
71 H GLY 12 H GLY 12 -4.607 -9.936 1.554
72 HA2 GLY 12 HA2 GLY 12 -3.029 -11.650 1.897
73 HA3 GLY 12 HA3 GLY 12 -2.410 -11.369 0.281
74 H TYR 13 H TYR 13 -2.443 -8.382 1.105
75 HA TYR 13 HA TYR 13 0.264 -8.499 2.221
76 HB2 TYR 13 HB2 TYR 13 -0.173 -7.373 0.031
77 HB3 TYR 13 HB3 TYR 13 -1.183 -6.209 0.865
78 HD1 TYR 13 HD1 TYR 13 0.318 -5.200 3.049
79 HD2 TYR 13 HD2 TYR 13 1.797 -6.563 -0.688
80 HE1 TYR 13 HE1 TYR 13 2.242 -3.765 3.323
81 HE2 TYR 13 HE2 TYR 13 3.771 -5.137 -0.437
82 HH TYR 13 HH TYR 13 4.222 -2.912 0.845
83 H SER 14 H SER 14 0.394 -8.132 4.330
84 HA SER 14 HA SER 14 -1.513 -6.312 5.582
85 HB2 SER 14 HB2 SER 14 -0.653 -8.980 6.526
86 HB3 SER 14 HB3 SER 14 -1.671 -7.895 7.483
87 HG SER 14 HG SER 14 -3.169 -7.981 5.715
88 H GLY 15 H GLY 15 1.282 -6.034 4.709
89 HA2 GLY 15 HA2 GLY 15 2.870 -5.877 7.125
90 HA3 GLY 15 HA3 GLY 15 3.352 -5.374 5.517
91 HA PRO 16 HA PRO 16 2.793 -1.278 7.344
92 HB2 PRO 16 HB2 PRO 16 3.625 0.106 5.117
93 HB3 PRO 16 HB3 PRO 16 4.728 -0.555 6.323
94 HG2 PRO 16 HG2 PRO 16 3.929 -1.673 3.670
95 HG3 PRO 16 HG3 PRO 16 5.523 -1.653 4.441
96 HD2 PRO 16 HD2 PRO 16 3.965 -3.864 4.424
97 HD3 PRO 16 HD3 PRO 16 5.038 -3.469 5.780
98 H THR 17 H THR 17 0.492 -1.793 7.238
99 HA THR 17 HA THR 17 -0.996 -1.096 4.879
100 HB THR 17 HB THR 17 -2.896 -1.812 6.429
101 HG1 THR 17 HG1 THR 17 -1.902 -3.192 8.172
102 HG21 THR 17 HG21 THR 17 -0.634 -3.732 5.783
103 HG22 THR 17 HG22 THR 17 -1.945 -3.284 4.704
104 HG23 THR 17 HG23 THR 17 -2.290 -4.211 6.163
105 H VAL 18 H VAL 18 -0.053 0.411 7.810
106 HA VAL 18 HA VAL 18 -2.217 2.343 7.724
107 HB VAL 18 HB VAL 18 0.222 2.268 9.528
108 HG11 VAL 18 HG11 VAL 18 -0.710 4.497 9.369
109 HG12 VAL 18 HG12 VAL 18 -1.041 3.818 10.963
110 HG13 VAL 18 HG13 VAL 18 -2.320 3.885 9.749
111 HG21 VAL 18 HG21 VAL 18 -2.594 1.320 10.072
112 HG22 VAL 18 HG22 VAL 18 -1.289 1.389 11.259
113 HG23 VAL 18 HG23 VAL 18 -1.170 0.299 9.878
114 H CYS 19 H CYS 19 -2.048 3.968 6.326
115 HA CYS 19 HA CYS 19 0.446 4.597 5.078
116 HB2 CYS 19 HB2 CYS 19 -2.230 5.989 4.886
117 HB3 CYS 19 HB3 CYS 19 -0.855 6.230 3.814
118 H ALA 20 H ALA 20 1.570 6.519 5.216
119 HA ALA 20 HA ALA 20 1.818 7.755 7.686
120 HB1 ALA 20 HB1 ALA 20 3.209 9.403 6.528
121 HB2 ALA 20 HB2 ALA 20 2.590 8.841 4.975
122 HB3 ALA 20 HB3 ALA 20 3.572 7.769 5.975
123 H SER 21 H SER 21 1.076 9.666 8.523
124 HA SER 21 HA SER 21 -1.519 10.409 8.087
125 HB2 SER 21 HB2 SER 21 0.689 12.100 9.250
126 HB3 SER 21 HB3 SER 21 -1.034 12.194 9.628
127 HG SER 21 HG SER 21 -0.934 10.393 10.755
128 H GLY 22 H GLY 22 -2.409 11.400 6.411
129 HA2 GLY 22 HA2 GLY 22 -2.528 13.543 5.213
130 HA3 GLY 22 HA3 GLY 22 -0.806 13.338 4.894
131 H THR 23 H THR 23 -1.311 10.392 4.602
132 HA THR 23 HA THR 23 -2.272 10.555 1.830
133 HB THR 23 HB THR 23 -0.852 8.618 1.311
134 HG1 THR 23 HG1 THR 23 -0.251 8.724 4.102
135 HG21 THR 23 HG21 THR 23 0.181 10.818 1.154
136 HG22 THR 23 HG22 THR 23 1.360 9.625 1.710
137 HG23 THR 23 HG23 THR 23 0.620 10.741 2.858
138 H THR 24 H THR 24 -3.566 8.858 1.035
139 HA THR 24 HA THR 24 -4.814 7.170 3.076
140 HB THR 24 HB THR 24 -6.919 7.558 1.582
141 HG1 THR 24 HG1 THR 24 -5.174 9.223 0.408
142 HG21 THR 24 HG21 THR 24 -7.580 9.459 2.985
143 HG22 THR 24 HG22 THR 24 -5.897 9.726 3.431
144 HG23 THR 24 HG23 THR 24 -6.722 8.254 3.944
145 H CYS 25 H CYS 25 -5.034 5.073 2.481
146 HA CYS 25 HA CYS 25 -3.761 4.264 0.052
147 HB2 CYS 25 HB2 CYS 25 -3.601 2.997 2.241
148 HB3 CYS 25 HB3 CYS 25 -5.276 2.508 1.972
149 H GLN 26 H GLN 26 -4.640 4.330 -1.773
150 HA GLN 26 HA GLN 26 -7.507 4.040 -2.029
151 HB2 GLN 26 HB2 GLN 26 -5.410 4.830 -4.053
152 HB3 GLN 26 HB3 GLN 26 -7.152 4.891 -4.285
153 HG2 GLN 26 HG2 GLN 26 -5.594 6.488 -2.274
154 HG3 GLN 26 HG3 GLN 26 -6.219 7.109 -3.796
155 HE21 GLN 26 HE21 GLN 26 -6.764 7.948 -1.057
156 HE22 GLN 26 HE22 GLN 26 -8.470 7.781 -0.843
157 H VAL 27 H VAL 27 -8.279 2.159 -2.549
158 HA VAL 27 HA VAL 27 -6.562 -0.013 -3.297
159 HB VAL 27 HB VAL 27 -9.591 0.048 -3.132
160 HG11 VAL 27 HG11 VAL 27 -7.669 -2.268 -3.043
161 HG12 VAL 27 HG12 VAL 27 -8.721 -1.846 -4.388
162 HG13 VAL 27 HG13 VAL 27 -9.422 -2.375 -2.854
163 HG21 VAL 27 HG21 VAL 27 -9.335 -0.903 -0.878
164 HG22 VAL 27 HG22 VAL 27 -8.632 0.713 -0.995
165 HG23 VAL 27 HG23 VAL 27 -7.586 -0.705 -1.010
166 H LEU 28 H LEU 28 -5.780 0.375 -5.253
167 HA LEU 28 HA LEU 28 -7.355 1.390 -7.455
168 HB2 LEU 28 HB2 LEU 28 -4.549 0.285 -7.414
169 HB3 LEU 28 HB3 LEU 28 -5.267 1.235 -8.695
170 HG LEU 28 HG LEU 28 -4.688 2.255 -5.906
171 HD11 LEU 28 HD11 LEU 28 -3.249 2.725 -8.506
172 HD12 LEU 28 HD12 LEU 28 -2.653 1.820 -7.112
173 HD13 LEU 28 HD13 LEU 28 -2.931 3.557 -6.984
174 HD21 LEU 28 HD21 LEU 28 -6.566 3.377 -6.964
175 HD22 LEU 28 HD22 LEU 28 -5.557 3.669 -8.391
176 HD23 LEU 28 HD23 LEU 28 -5.146 4.430 -6.852
177 H ASN 29 H ASN 29 -6.114 -1.633 -6.303
178 HA ASN 29 HA ASN 29 -7.614 -3.103 -8.295
179 HB2 ASN 29 HB2 ASN 29 -4.658 -3.515 -7.718
180 HB3 ASN 29 HB3 ASN 29 -5.685 -4.640 -8.589
181 HD21 ASN 29 HD21 ASN 29 -3.990 -1.620 -8.739
182 HD22 ASN 29 HD22 ASN 29 -4.154 -1.413 -10.444
183 HA PRO 30 HA PRO 30 -8.465 -5.758 -4.784
184 HB2 PRO 30 HB2 PRO 30 -7.209 -8.032 -6.255
185 HB3 PRO 30 HB3 PRO 30 -8.788 -7.946 -5.460
186 HG2 PRO 30 HG2 PRO 30 -8.673 -7.808 -8.083
187 HG3 PRO 30 HG3 PRO 30 -9.729 -6.692 -7.195
188 HD2 PRO 30 HD2 PRO 30 -7.040 -6.191 -8.402
189 HD3 PRO 30 HD3 PRO 30 -8.482 -5.152 -8.432
190 H TYR 31 H TYR 31 -5.214 -6.418 -6.181
191 HA TYR 31 HA TYR 31 -4.334 -6.957 -3.432
192 HB2 TYR 31 HB2 TYR 31 -2.922 -7.521 -6.060
193 HB3 TYR 31 HB3 TYR 31 -2.317 -7.940 -4.472
194 HD1 TYR 31 HD1 TYR 31 -5.078 -8.637 -6.870
195 HD2 TYR 31 HD2 TYR 31 -2.937 -9.952 -3.447
196 HE1 TYR 31 HE1 TYR 31 -6.224 -10.810 -6.993
197 HE2 TYR 31 HE2 TYR 31 -4.077 -12.116 -3.557
198 HH TYR 31 HH TYR 31 -5.896 -13.075 -6.256
199 H TYR 32 H TYR 32 -3.955 -4.743 -6.105
200 HA TYR 32 HA TYR 32 -1.760 -3.456 -4.701
201 HB2 TYR 32 HB2 TYR 32 -1.607 -3.790 -7.186
202 HB3 TYR 32 HB3 TYR 32 -2.921 -2.636 -7.369
203 HD1 TYR 32 HD1 TYR 32 0.456 -2.920 -5.821
204 HD2 TYR 32 HD2 TYR 32 -2.403 -0.378 -7.692
205 HE1 TYR 32 HE1 TYR 32 2.101 -1.097 -5.841
206 HE2 TYR 32 HE2 TYR 32 -0.772 1.454 -7.712
207 HH TYR 32 HH TYR 32 1.264 2.137 -6.592
208 H SER 33 H SER 33 -2.196 -2.061 -3.206
209 HA SER 33 HA SER 33 -4.269 -0.054 -3.660
210 HB2 SER 33 HB2 SER 33 -3.667 -1.463 -1.026
211 HB3 SER 33 HB3 SER 33 -4.880 -0.206 -1.276
212 HG SER 33 HG SER 33 -5.246 -2.222 -3.037
213 H GLN 34 H GLN 34 -3.421 1.989 -3.372
214 HA GLN 34 HA GLN 34 -0.683 2.105 -2.293
215 HB2 GLN 34 HB2 GLN 34 -0.414 2.189 -4.626
216 HB3 GLN 34 HB3 GLN 34 -1.787 3.260 -4.840
217 HG2 GLN 34 HG2 GLN 34 -0.554 5.098 -3.923
218 HG3 GLN 34 HG3 GLN 34 0.797 4.035 -3.509
219 HE21 GLN 34 HE21 GLN 34 2.242 3.469 -5.089
220 HE22 GLN 34 HE22 GLN 34 2.197 4.131 -6.679
221 H CYS 35 H CYS 35 -0.218 3.674 -0.892
222 HA CYS 35 HA CYS 35 -2.294 5.384 0.128
223 HB2 CYS 35 HB2 CYS 35 0.663 5.502 0.742
224 HB3 CYS 35 HB3 CYS 35 -0.658 6.190 1.671
225 H LEU 36 H LEU 36 -2.983 6.993 -0.976
226 HA LEU 36 HA LEU 36 -1.094 8.737 -2.330
227 HB2 LEU 36 HB2 LEU 36 -3.997 8.141 -2.924
228 HB3 LEU 36 HB3 LEU 36 -3.058 9.385 -3.723
229 HG LEU 36 HG LEU 36 -2.484 6.423 -3.851
230 HD11 LEU 36 HD11 LEU 36 -3.188 6.600 -6.172
231 HD12 LEU 36 HD12 LEU 36 -3.645 8.289 -5.919
232 HD13 LEU 36 HD13 LEU 36 -4.506 7.001 -5.076
233 HD21 LEU 36 HD21 LEU 36 -0.889 7.074 -5.603
234 HD22 LEU 36 HD22 LEU 36 -0.461 7.719 -4.026
235 HD23 LEU 36 HD23 LEU 36 -1.206 8.770 -5.237
236 H2 BGC 101 H2 BGC 101 8.576 3.670 0.340
237 H3 BGC 101 H3 BGC 101 6.258 1.752 0.630
238 H4 BGC 101 H4 BGC 101 9.143 1.681 1.628
239 H5 BGC 101 H5 BGC 101 6.433 1.933 3.082
240 H6C1 BGC 101 H61 BGC 101 9.306 2.012 4.116
241 H6C2 BGC 101 H62 BGC 101 8.075 0.800 4.546
242 H1 BGC 101 H1 BGC 101 5.852 3.805 1.670
243 HB BGC 101 HO2 BGC 101 6.965 4.816 -0.835
244 HC BGC 101 HO3 BGC 101 7.343 1.805 -1.360
245 HD BGC 101 HO4 BGC 101 8.414 -0.295 2.621
246 H6 BGC 101 HO6 BGC 101 6.929 2.396 5.700
Start of MODEL 3
1 H1 THR 1 H1 THR 1 5.906 2.440 8.644
2 H2 THR 1 H2 THR 1 4.716 1.265 8.403
3 H3 THR 1 H3 THR 1 4.785 2.133 9.863
4 HA THR 1 HA THR 1 3.026 2.913 8.447
5 HB THR 1 HB THR 1 5.259 4.940 8.735
6 HG1 THR 1 HG1 THR 1 4.403 5.084 10.928
7 HG21 THR 1 HG21 THR 1 2.259 5.119 9.133
8 HG22 THR 1 HG22 THR 1 3.122 5.688 7.708
9 HG23 THR 1 HG23 THR 1 3.406 6.451 9.271
10 H GLN 2 H GLN 2 2.450 2.931 6.358
11 HA GLN 2 HA GLN 2 4.473 2.644 4.352
12 HB2 GLN 2 HB2 GLN 2 2.364 1.317 4.321
13 HB3 GLN 2 HB3 GLN 2 1.467 2.802 4.041
14 HG2 GLN 2 HG2 GLN 2 1.807 1.550 1.979
15 HG3 GLN 2 HG3 GLN 2 2.603 3.124 1.929
16 HE21 GLN 2 HE21 GLN 2 3.052 -0.293 2.008
17 HE22 GLN 2 HE22 GLN 2 4.743 -0.288 1.673
18 H SER 3 H SER 3 5.210 4.134 3.025
19 HA SER 3 HA SER 3 4.490 6.833 3.538
20 HB2 SER 3 HB2 SER 3 6.449 7.426 2.320
21 HB3 SER 3 HB3 SER 3 6.852 6.075 3.349
22 H HIS 4 H HIS 4 4.657 8.288 1.409
23 HA HIS 4 HA HIS 4 2.150 7.908 0.136
24 HB2 HIS 4 HB2 HIS 4 3.423 10.122 0.642
25 HB3 HIS 4 HB3 HIS 4 4.323 9.786 -0.829
26 HD1 HIS 4 HD1 HIS 4 3.159 12.212 -1.487
27 HD2 HIS 4 HD2 HIS 4 0.644 8.916 -1.241
28 HE1 HIS 4 HE1 HIS 4 1.034 12.906 -2.579
29 HE2 HIS 4 HE2 HIS 4 -0.532 11.066 -1.865
30 H TYR 5 H TYR 5 1.694 6.806 -1.658
31 HA TYR 5 HA TYR 5 1.793 5.810 -3.587
32 HB2 TYR 5 HB2 TYR 5 4.615 6.839 -3.821
33 HB3 TYR 5 HB3 TYR 5 3.908 5.770 -5.029
34 HD1 TYR 5 HD1 TYR 5 2.206 6.564 -6.540
35 HD2 TYR 5 HD2 TYR 5 3.787 9.134 -3.546
36 HE1 TYR 5 HE1 TYR 5 1.192 8.490 -7.671
37 HE2 TYR 5 HE2 TYR 5 2.775 11.069 -4.669
38 HH TYR 5 HH TYR 5 0.584 10.673 -7.367
39 H GLY 6 H GLY 6 3.186 4.778 -0.900
40 HA2 GLY 6 HA2 GLY 6 4.328 2.344 -1.920
41 HA3 GLY 6 HA3 GLY 6 4.043 2.748 -0.230
42 H GLN 7 H GLN 7 3.475 0.227 -1.109
43 HA GLN 7 HA GLN 7 0.698 0.032 -1.850
44 HB2 GLN 7 HB2 GLN 7 2.509 -1.576 -2.624
45 HB3 GLN 7 HB3 GLN 7 2.514 -2.219 -0.988
46 HG2 GLN 7 HG2 GLN 7 0.181 -2.867 -1.213
47 HG3 GLN 7 HG3 GLN 7 0.130 -2.177 -2.832
48 HE21 GLN 7 HE21 GLN 7 -0.478 -4.883 -2.177
49 HE22 GLN 7 HE22 GLN 7 0.682 -5.852 -2.978
50 H CYS 8 H CYS 8 -0.787 0.370 -0.390
51 HA CYS 8 HA CYS 8 -0.163 0.185 2.440
52 HB2 CYS 8 HB2 CYS 8 -2.346 1.275 2.733
53 HB3 CYS 8 HB3 CYS 8 -1.213 2.164 1.724
54 H GLY 9 H GLY 9 -1.158 -2.131 0.471
55 HA2 GLY 9 HA2 GLY 9 -1.727 -4.200 1.739
56 HA3 GLY 9 HA3 GLY 9 -2.849 -3.197 2.641
57 H GLY 10 H GLY 10 -2.266 -4.999 -0.153
58 HA2 GLY 10 HA2 GLY 10 -5.017 -4.624 -1.066
59 HA3 GLY 10 HA3 GLY 10 -3.708 -5.458 -1.920
60 H ILE 11 H ILE 11 -5.583 -7.088 -1.987
61 HA ILE 11 HA ILE 11 -6.246 -8.577 0.273
62 HB ILE 11 HB ILE 11 -6.033 -9.468 -2.614
63 HG12 ILE 11 HG12 ILE 11 -8.438 -8.648 -0.965
64 HG13 ILE 11 HG13 ILE 11 -7.651 -7.651 -2.180
65 HG21 ILE 11 HG21 ILE 11 -7.341 -10.870 -0.289
66 HG22 ILE 11 HG22 ILE 11 -5.904 -11.394 -1.174
67 HG23 ILE 11 HG23 ILE 11 -7.469 -11.342 -1.989
68 HD11 ILE 11 HD11 ILE 11 -9.068 -10.263 -2.668
69 HD12 ILE 11 HD12 ILE 11 -8.274 -9.276 -3.897
70 HD13 ILE 11 HD13 ILE 11 -9.681 -8.651 -3.039
71 H GLY 12 H GLY 12 -4.933 -9.516 1.632
72 HA2 GLY 12 HA2 GLY 12 -3.548 -11.274 2.291
73 HA3 GLY 12 HA3 GLY 12 -2.982 -11.435 0.636
74 H TYR 13 H TYR 13 -2.887 -8.217 1.408
75 HA TYR 13 HA TYR 13 -0.041 -8.472 2.090
76 HB2 TYR 13 HB2 TYR 13 -0.663 -7.254 -0.058
77 HB3 TYR 13 HB3 TYR 13 -1.485 -6.071 0.944
78 HD1 TYR 13 HD1 TYR 13 1.633 -7.138 -0.459
79 HD2 TYR 13 HD2 TYR 13 -0.054 -4.668 2.566
80 HE1 TYR 13 HE1 TYR 13 3.742 -5.880 -0.301
81 HE2 TYR 13 HE2 TYR 13 2.041 -3.417 2.720
82 HH TYR 13 HH TYR 13 4.395 -3.707 2.220
83 H SER 14 H SER 14 0.125 -8.358 4.235
84 HA SER 14 HA SER 14 -1.651 -6.513 5.659
85 HB2 SER 14 HB2 SER 14 -1.390 -8.161 7.554
86 HB3 SER 14 HB3 SER 14 -2.303 -8.729 6.156
87 HG SER 14 HG SER 14 -0.943 -10.321 6.170
88 H GLY 15 H GLY 15 1.304 -6.458 4.611
89 HA2 GLY 15 HA2 GLY 15 2.848 -6.051 7.010
90 HA3 GLY 15 HA3 GLY 15 3.357 -5.689 5.369
91 HA PRO 16 HA PRO 16 2.888 -1.461 6.926
92 HB2 PRO 16 HB2 PRO 16 3.813 -0.284 4.589
93 HB3 PRO 16 HB3 PRO 16 4.852 -0.795 5.922
94 HG2 PRO 16 HG2 PRO 16 4.247 -2.167 3.354
95 HG3 PRO 16 HG3 PRO 16 5.764 -2.096 4.266
96 HD2 PRO 16 HD2 PRO 16 4.160 -4.271 4.271
97 HD3 PRO 16 HD3 PRO 16 5.152 -3.813 5.667
98 H THR 17 H THR 17 0.770 -1.361 6.987
99 HA THR 17 HA THR 17 -0.736 -1.040 4.497
100 HB THR 17 HB THR 17 -2.649 -1.846 6.040
101 HG1 THR 17 HG1 THR 17 -0.423 -2.965 7.400
102 HG21 THR 17 HG21 THR 17 -2.113 -4.180 5.558
103 HG22 THR 17 HG22 THR 17 -0.418 -3.756 5.327
104 HG23 THR 17 HG23 THR 17 -1.626 -3.171 4.191
105 H VAL 18 H VAL 18 -0.022 0.283 7.603
106 HA VAL 18 HA VAL 18 -2.164 2.197 7.545
107 HB VAL 18 HB VAL 18 0.266 2.009 9.356
108 HG11 VAL 18 HG11 VAL 18 -0.636 4.278 9.293
109 HG12 VAL 18 HG12 VAL 18 -0.954 3.519 10.850
110 HG13 VAL 18 HG13 VAL 18 -2.246 3.656 9.657
111 HG21 VAL 18 HG21 VAL 18 -2.585 1.134 9.825
112 HG22 VAL 18 HG22 VAL 18 -1.275 1.062 11.006
113 HG23 VAL 18 HG23 VAL 18 -1.210 0.069 9.552
114 H CYS 19 H CYS 19 -2.046 3.854 6.214
115 HA CYS 19 HA CYS 19 0.403 4.706 5.037
116 HB2 CYS 19 HB2 CYS 19 -2.357 5.956 4.883
117 HB3 CYS 19 HB3 CYS 19 -0.964 6.306 3.853
118 H ALA 20 H ALA 20 1.442 6.582 5.331
119 HA ALA 20 HA ALA 20 1.600 7.675 7.901
120 HB1 ALA 20 HB1 ALA 20 3.447 7.699 6.310
121 HB2 ALA 20 HB2 ALA 20 3.091 9.326 6.899
122 HB3 ALA 20 HB3 ALA 20 2.560 8.831 5.294
123 H SER 21 H SER 21 1.214 9.866 8.571
124 HA SER 21 HA SER 21 -1.366 10.769 8.199
125 HB2 SER 21 HB2 SER 21 -0.383 12.855 9.325
126 HB3 SER 21 HB3 SER 21 -0.203 11.318 10.183
127 HG SER 21 HG SER 21 1.736 12.325 8.419
128 H GLY 22 H GLY 22 -2.212 11.639 6.429
129 HA2 GLY 22 HA2 GLY 22 -2.264 13.572 4.973
130 HA3 GLY 22 HA3 GLY 22 -0.523 13.393 4.778
131 H THR 23 H THR 23 -1.624 10.316 4.784
132 HA THR 23 HA THR 23 -2.242 10.378 1.922
133 HB THR 23 HB THR 23 -0.958 8.292 1.613
134 HG1 THR 23 HG1 THR 23 -0.446 8.669 4.365
135 HG21 THR 23 HG21 THR 23 1.294 9.271 1.746
136 HG22 THR 23 HG22 THR 23 0.633 10.587 2.723
137 HG23 THR 23 HG23 THR 23 0.104 10.372 1.055
138 H THR 24 H THR 24 -3.679 8.795 1.171
139 HA THR 24 HA THR 24 -5.077 7.320 3.293
140 HB THR 24 HB THR 24 -7.082 7.522 1.715
141 HG1 THR 24 HG1 THR 24 -5.213 9.113 0.366
142 HG21 THR 24 HG21 THR 24 -5.993 10.054 2.965
143 HG22 THR 24 HG22 THR 24 -6.915 8.804 3.801
144 HG23 THR 24 HG23 THR 24 -7.678 9.759 2.530
145 H CYS 25 H CYS 25 -5.686 5.169 2.823
146 HA CYS 25 HA CYS 25 -4.050 3.937 0.823
147 HB2 CYS 25 HB2 CYS 25 -4.341 2.849 3.017
148 HB3 CYS 25 HB3 CYS 25 -6.068 2.704 2.715
149 H GLN 26 H GLN 26 -4.678 4.132 -1.196
150 HA GLN 26 HA GLN 26 -7.504 3.879 -1.838
151 HB2 GLN 26 HB2 GLN 26 -5.177 4.811 -3.531
152 HB3 GLN 26 HB3 GLN 26 -6.869 4.825 -4.002
153 HG2 GLN 26 HG2 GLN 26 -5.633 6.438 -1.775
154 HG3 GLN 26 HG3 GLN 26 -6.138 7.050 -3.350
155 HE21 GLN 26 HE21 GLN 26 -7.017 7.841 -0.699
156 HE22 GLN 26 HE22 GLN 26 -8.709 7.592 -0.663
157 H VAL 27 H VAL 27 -8.101 1.890 -2.330
158 HA VAL 27 HA VAL 27 -6.194 -0.081 -3.177
159 HB VAL 27 HB VAL 27 -9.227 -0.279 -3.031
160 HG11 VAL 27 HG11 VAL 27 -8.250 -1.989 -4.478
161 HG12 VAL 27 HG12 VAL 27 -8.863 -2.708 -2.988
162 HG13 VAL 27 HG13 VAL 27 -7.133 -2.452 -3.194
163 HG21 VAL 27 HG21 VAL 27 -8.871 -1.431 -0.896
164 HG22 VAL 27 HG22 VAL 27 -8.256 0.225 -0.857
165 HG23 VAL 27 HG23 VAL 27 -7.137 -1.128 -1.032
166 H LEU 28 H LEU 28 -5.452 0.026 -5.124
167 HA LEU 28 HA LEU 28 -6.953 1.311 -7.268
168 HB2 LEU 28 HB2 LEU 28 -4.174 0.156 -7.287
169 HB3 LEU 28 HB3 LEU 28 -4.876 1.200 -8.499
170 HG LEU 28 HG LEU 28 -4.172 1.993 -5.669
171 HD11 LEU 28 HD11 LEU 28 -2.248 1.661 -7.051
172 HD12 LEU 28 HD12 LEU 28 -2.493 3.390 -6.778
173 HD13 LEU 28 HD13 LEU 28 -2.935 2.665 -8.324
174 HD21 LEU 28 HD21 LEU 28 -6.112 3.198 -6.495
175 HD22 LEU 28 HD22 LEU 28 -5.187 3.619 -7.954
176 HD23 LEU 28 HD23 LEU 28 -4.676 4.237 -6.376
177 H ASN 29 H ASN 29 -5.441 -1.737 -6.443
178 HA ASN 29 HA ASN 29 -6.959 -3.104 -8.543
179 HB2 ASN 29 HB2 ASN 29 -4.108 -3.752 -7.646
180 HB3 ASN 29 HB3 ASN 29 -5.065 -4.669 -8.774
181 HD21 ASN 29 HD21 ASN 29 -4.875 -1.198 -8.922
182 HD22 ASN 29 HD22 ASN 29 -3.921 -1.107 -10.359
183 HA PRO 30 HA PRO 30 -8.225 -5.701 -5.115
184 HB2 PRO 30 HB2 PRO 30 -6.982 -8.084 -6.405
185 HB3 PRO 30 HB3 PRO 30 -8.629 -7.868 -5.802
186 HG2 PRO 30 HG2 PRO 30 -8.157 -7.818 -8.403
187 HG3 PRO 30 HG3 PRO 30 -9.295 -6.662 -7.682
188 HD2 PRO 30 HD2 PRO 30 -6.473 -6.237 -8.582
189 HD3 PRO 30 HD3 PRO 30 -7.872 -5.167 -8.758
190 H TYR 31 H TYR 31 -4.931 -6.482 -6.248
191 HA TYR 31 HA TYR 31 -4.256 -7.079 -3.459
192 HB2 TYR 31 HB2 TYR 31 -2.604 -7.677 -5.937
193 HB3 TYR 31 HB3 TYR 31 -2.269 -8.204 -4.299
194 HD1 TYR 31 HD1 TYR 31 -3.801 -9.830 -3.201
195 HD2 TYR 31 HD2 TYR 31 -4.107 -8.916 -7.333
196 HE1 TYR 31 HE1 TYR 31 -5.124 -11.850 -3.541
197 HE2 TYR 31 HE2 TYR 31 -5.444 -10.942 -7.692
198 HH TYR 31 HH TYR 31 -5.744 -13.119 -6.588
199 H TYR 32 H TYR 32 -3.648 -4.842 -6.051
200 HA TYR 32 HA TYR 32 -1.496 -3.629 -4.510
201 HB2 TYR 32 HB2 TYR 32 -1.131 -3.932 -6.951
202 HB3 TYR 32 HB3 TYR 32 -2.444 -2.801 -7.259
203 HD1 TYR 32 HD1 TYR 32 -1.964 -0.498 -7.502
204 HD2 TYR 32 HD2 TYR 32 0.801 -3.038 -5.463
205 HE1 TYR 32 HE1 TYR 32 -0.357 1.345 -7.360
206 HE2 TYR 32 HE2 TYR 32 2.398 -1.175 -5.318
207 HH TYR 32 HH TYR 32 1.512 2.035 -6.086
208 H SER 33 H SER 33 -1.990 -2.202 -3.039
209 HA SER 33 HA SER 33 -4.067 -0.221 -3.627
210 HB2 SER 33 HB2 SER 33 -3.231 -1.284 -0.912
211 HB3 SER 33 HB3 SER 33 -4.557 -0.169 -1.242
212 HG SER 33 HG SER 33 -4.981 -2.528 -0.940
213 H GLN 34 H GLN 34 -3.422 1.946 -2.992
214 HA GLN 34 HA GLN 34 -0.602 2.186 -2.264
215 HB2 GLN 34 HB2 GLN 34 -0.512 2.247 -4.618
216 HB3 GLN 34 HB3 GLN 34 -1.940 3.251 -4.724
217 HG2 GLN 34 HG2 GLN 34 -0.733 5.162 -3.974
218 HG3 GLN 34 HG3 GLN 34 0.673 4.157 -3.585
219 HE21 GLN 34 HE21 GLN 34 2.093 3.613 -5.176
220 HE22 GLN 34 HE22 GLN 34 1.945 4.176 -6.804
221 H CYS 35 H CYS 35 -0.148 3.814 -0.910
222 HA CYS 35 HA CYS 35 -2.311 5.367 0.168
223 HB2 CYS 35 HB2 CYS 35 0.653 5.762 0.772
224 HB3 CYS 35 HB3 CYS 35 -0.730 6.335 1.670
225 H LEU 36 H LEU 36 -3.084 7.024 -0.830
226 HA LEU 36 HA LEU 36 -1.293 8.817 -2.283
227 HB2 LEU 36 HB2 LEU 36 -4.200 8.191 -2.786
228 HB3 LEU 36 HB3 LEU 36 -3.299 9.449 -3.606
229 HG LEU 36 HG LEU 36 -2.675 6.499 -3.762
230 HD11 LEU 36 HD11 LEU 36 -3.500 6.659 -6.048
231 HD12 LEU 36 HD12 LEU 36 -3.958 8.342 -5.772
232 HD13 LEU 36 HD13 LEU 36 -4.761 7.051 -4.881
233 HD21 LEU 36 HD21 LEU 36 -1.142 7.163 -5.560
234 HD22 LEU 36 HD22 LEU 36 -0.685 7.892 -4.024
235 HD23 LEU 36 HD23 LEU 36 -1.512 8.858 -5.248
236 H2 BGC 101 H2 BGC 101 8.511 4.102 0.051
237 H3 BGC 101 H3 BGC 101 6.459 1.871 0.216
238 H4 BGC 101 H4 BGC 101 9.304 2.241 1.169
239 H5 BGC 101 H5 BGC 101 6.617 1.901 2.647
240 H6C1 BGC 101 H61 BGC 101 9.483 2.231 3.614
241 H6C2 BGC 101 H62 BGC 101 8.404 0.867 3.978
242 H1 BGC 101 H1 BGC 101 5.776 3.877 1.387
243 HB BGC 101 HO2 BGC 101 7.232 3.784 -1.818
244 HC BGC 101 HO3 BGC 101 8.024 0.776 -1.020
245 HD BGC 101 HO4 BGC 101 9.053 0.105 1.923
246 H6 BGC 101 HO6 BGC 101 7.642 3.525 4.618
Start of MODEL 4
1 H1 THR 1 H1 THR 1 5.747 2.657 9.041
2 H2 THR 1 H2 THR 1 4.573 1.427 9.032
3 H3 THR 1 H3 THR 1 4.640 2.568 10.301
4 HA THR 1 HA THR 1 2.856 3.015 8.755
5 HB THR 1 HB THR 1 5.054 5.106 8.809
6 HG1 THR 1 HG1 THR 1 4.169 5.578 10.910
7 HG21 THR 1 HG21 THR 1 2.031 5.318 8.957
8 HG22 THR 1 HG22 THR 1 3.007 5.688 7.538
9 HG23 THR 1 HG23 THR 1 3.170 6.665 8.997
10 H GLN 2 H GLN 2 2.231 3.145 6.645
11 HA GLN 2 HA GLN 2 4.190 2.394 4.681
12 HB2 GLN 2 HB2 GLN 2 1.912 1.381 4.736
13 HB3 GLN 2 HB3 GLN 2 1.235 2.956 4.372
14 HG2 GLN 2 HG2 GLN 2 1.362 1.506 2.399
15 HG3 GLN 2 HG3 GLN 2 2.311 2.979 2.216
16 HE21 GLN 2 HE21 GLN 2 2.424 -0.435 2.663
17 HE22 GLN 2 HE22 GLN 2 4.075 -0.644 2.232
18 H SER 3 H SER 3 5.280 3.769 3.530
19 HA SER 3 HA SER 3 4.828 6.531 3.690
20 HB2 SER 3 HB2 SER 3 6.834 6.749 2.355
21 HB3 SER 3 HB3 SER 3 7.081 5.486 3.540
22 H HIS 4 H HIS 4 4.740 7.921 1.752
23 HA HIS 4 HA HIS 4 2.373 7.537 0.306
24 HB2 HIS 4 HB2 HIS 4 3.549 9.730 0.853
25 HB3 HIS 4 HB3 HIS 4 4.689 9.346 -0.421
26 HD1 HIS 4 HD1 HIS 4 3.885 11.655 -1.443
27 HD2 HIS 4 HD2 HIS 4 1.011 8.674 -1.372
28 HE1 HIS 4 HE1 HIS 4 2.019 12.463 -2.928
29 HE2 HIS 4 HE2 HIS 4 0.212 10.892 -2.435
30 H TYR 5 H TYR 5 1.959 6.572 -1.634
31 HA TYR 5 HA TYR 5 2.165 5.573 -3.579
32 HB2 TYR 5 HB2 TYR 5 5.126 6.219 -3.509
33 HB3 TYR 5 HB3 TYR 5 4.328 5.420 -4.852
34 HD1 TYR 5 HD1 TYR 5 5.330 8.526 -3.496
35 HD2 TYR 5 HD2 TYR 5 2.325 6.720 -5.903
36 HE1 TYR 5 HE1 TYR 5 4.790 10.717 -4.457
37 HE2 TYR 5 HE2 TYR 5 1.782 8.907 -6.871
38 HH TYR 5 HH TYR 5 3.771 11.604 -6.494
39 H GLY 6 H GLY 6 3.219 4.448 -0.763
40 HA2 GLY 6 HA2 GLY 6 4.283 1.939 -1.696
41 HA3 GLY 6 HA3 GLY 6 3.933 2.391 -0.032
42 H GLN 7 H GLN 7 3.269 -0.113 -1.052
43 HA GLN 7 HA GLN 7 0.520 -0.108 -1.842
44 HB2 GLN 7 HB2 GLN 7 2.247 -1.793 -2.582
45 HB3 GLN 7 HB3 GLN 7 2.213 -2.455 -0.953
46 HG2 GLN 7 HG2 GLN 7 -0.171 -2.989 -1.252
47 HG3 GLN 7 HG3 GLN 7 -0.097 -2.334 -2.885
48 HE21 GLN 7 HE21 GLN 7 -0.803 -5.039 -2.206
49 HE22 GLN 7 HE22 GLN 7 0.379 -6.044 -2.911
50 H CYS 8 H CYS 8 -0.997 0.318 -0.420
51 HA CYS 8 HA CYS 8 -0.432 0.215 2.420
52 HB2 CYS 8 HB2 CYS 8 -2.623 1.342 2.644
53 HB3 CYS 8 HB3 CYS 8 -1.449 2.184 1.640
54 H GLY 9 H GLY 9 -1.249 -2.244 0.691
55 HA2 GLY 9 HA2 GLY 9 -1.884 -4.197 2.085
56 HA3 GLY 9 HA3 GLY 9 -3.129 -3.167 2.771
57 H GLY 10 H GLY 10 -2.111 -4.894 -0.021
58 HA2 GLY 10 HA2 GLY 10 -4.858 -4.879 -1.008
59 HA3 GLY 10 HA3 GLY 10 -3.442 -5.435 -1.909
60 H ILE 11 H ILE 11 -5.220 -7.265 -2.021
61 HA ILE 11 HA ILE 11 -5.512 -9.024 0.136
62 HB ILE 11 HB ILE 11 -5.414 -9.732 -2.816
63 HG12 ILE 11 HG12 ILE 11 -7.809 -9.065 -1.088
64 HG13 ILE 11 HG13 ILE 11 -7.074 -7.962 -2.242
65 HG21 ILE 11 HG21 ILE 11 -5.208 -11.686 -1.356
66 HG22 ILE 11 HG22 ILE 11 -6.766 -11.675 -2.181
67 HG23 ILE 11 HG23 ILE 11 -6.666 -11.205 -0.487
68 HD11 ILE 11 HD11 ILE 11 -9.055 -8.985 -3.170
69 HD12 ILE 11 HD12 ILE 11 -8.387 -10.589 -2.886
70 HD13 ILE 11 HD13 ILE 11 -7.627 -9.512 -4.058
71 H GLY 12 H GLY 12 -3.970 -10.057 1.196
72 HA2 GLY 12 HA2 GLY 12 -2.293 -11.713 1.344
73 HA3 GLY 12 HA3 GLY 12 -1.765 -11.296 -0.278
74 H TYR 13 H TYR 13 -2.100 -8.374 0.917
75 HA TYR 13 HA TYR 13 0.680 -8.310 1.824
76 HB2 TYR 13 HB2 TYR 13 -0.009 -6.877 -0.149
77 HB3 TYR 13 HB3 TYR 13 -1.073 -6.000 0.940
78 HD1 TYR 13 HD1 TYR 13 -0.012 -4.688 2.867
79 HD2 TYR 13 HD2 TYR 13 2.273 -6.324 -0.327
80 HE1 TYR 13 HE1 TYR 13 1.823 -3.181 3.426
81 HE2 TYR 13 HE2 TYR 13 4.129 -4.819 0.226
82 HH TYR 13 HH TYR 13 4.412 -2.621 1.354
83 H SER 14 H SER 14 0.713 -8.529 3.966
84 HA SER 14 HA SER 14 -1.350 -7.172 5.537
85 HB2 SER 14 HB2 SER 14 0.409 -9.435 6.266
86 HB3 SER 14 HB3 SER 14 -0.965 -8.855 7.217
87 HG SER 14 HG SER 14 -2.326 -9.438 5.482
88 H GLY 15 H GLY 15 1.528 -6.437 4.465
89 HA2 GLY 15 HA2 GLY 15 3.080 -5.837 6.787
90 HA3 GLY 15 HA3 GLY 15 3.358 -5.247 5.156
91 HA PRO 16 HA PRO 16 2.189 -1.515 7.556
92 HB2 PRO 16 HB2 PRO 16 3.291 0.265 5.753
93 HB3 PRO 16 HB3 PRO 16 4.169 -0.464 7.099
94 HG2 PRO 16 HG2 PRO 16 4.127 -1.245 4.224
95 HG3 PRO 16 HG3 PRO 16 5.493 -1.203 5.351
96 HD2 PRO 16 HD2 PRO 16 4.262 -3.495 4.670
97 HD3 PRO 16 HD3 PRO 16 4.936 -3.232 6.292
98 H THR 17 H THR 17 0.053 -1.479 7.315
99 HA THR 17 HA THR 17 -1.125 -0.936 4.739
100 HB THR 17 HB THR 17 -3.255 -1.424 6.062
101 HG1 THR 17 HG1 THR 17 -2.974 -1.590 8.152
102 HG21 THR 17 HG21 THR 17 -2.177 -3.080 4.584
103 HG22 THR 17 HG22 THR 17 -2.867 -3.863 6.004
104 HG23 THR 17 HG23 THR 17 -1.127 -3.575 5.906
105 H VAL 18 H VAL 18 -0.645 0.501 7.881
106 HA VAL 18 HA VAL 18 -2.508 2.635 7.435
107 HB VAL 18 HB VAL 18 -0.320 2.392 9.522
108 HG11 VAL 18 HG11 VAL 18 -2.625 4.332 9.325
109 HG12 VAL 18 HG12 VAL 18 -0.905 4.719 9.204
110 HG13 VAL 18 HG13 VAL 18 -1.579 4.143 10.730
111 HG21 VAL 18 HG21 VAL 18 -3.284 1.870 9.698
112 HG22 VAL 18 HG22 VAL 18 -2.152 1.822 11.049
113 HG23 VAL 18 HG23 VAL 18 -2.009 0.653 9.731
114 H CYS 19 H CYS 19 -2.171 4.172 6.069
115 HA CYS 19 HA CYS 19 0.382 4.797 4.957
116 HB2 CYS 19 HB2 CYS 19 -2.258 6.235 4.670
117 HB3 CYS 19 HB3 CYS 19 -0.839 6.410 3.641
118 H ALA 20 H ALA 20 1.515 6.705 5.131
119 HA ALA 20 HA ALA 20 1.782 7.900 7.620
120 HB1 ALA 20 HB1 ALA 20 3.252 9.500 6.526
121 HB2 ALA 20 HB2 ALA 20 2.617 9.028 4.952
122 HB3 ALA 20 HB3 ALA 20 3.540 7.872 5.914
123 H SER 21 H SER 21 1.484 10.146 8.249
124 HA SER 21 HA SER 21 -1.130 10.924 8.062
125 HB2 SER 21 HB2 SER 21 -0.121 13.071 9.142
126 HB3 SER 21 HB3 SER 21 -0.001 11.533 10.002
127 HG SER 21 HG SER 21 2.026 12.188 10.053
128 H GLY 22 H GLY 22 -2.160 11.762 6.403
129 HA2 GLY 22 HA2 GLY 22 -2.476 13.705 4.970
130 HA3 GLY 22 HA3 GLY 22 -0.742 13.690 4.676
131 H THR 23 H THR 23 -1.328 10.560 4.617
132 HA THR 23 HA THR 23 -2.131 10.592 1.798
133 HB THR 23 HB THR 23 -0.775 8.547 1.472
134 HG1 THR 23 HG1 THR 23 -0.314 8.905 4.219
135 HG21 THR 23 HG21 THR 23 0.193 10.704 0.926
136 HG22 THR 23 HG22 THR 23 1.432 9.620 1.559
137 HG23 THR 23 HG23 THR 23 0.755 10.888 2.586
138 H THR 24 H THR 24 -3.542 8.921 1.118
139 HA THR 24 HA THR 24 -4.742 7.408 3.318
140 HB THR 24 HB THR 24 -6.936 7.643 2.076
141 HG1 THR 24 HG1 THR 24 -5.288 9.182 0.444
142 HG21 THR 24 HG21 THR 24 -7.403 9.903 2.953
143 HG22 THR 24 HG22 THR 24 -5.674 10.174 3.152
144 HG23 THR 24 HG23 THR 24 -6.487 8.930 4.103
145 H CYS 25 H CYS 25 -5.614 5.359 2.761
146 HA CYS 25 HA CYS 25 -4.051 4.043 0.771
147 HB2 CYS 25 HB2 CYS 25 -4.533 2.959 2.915
148 HB3 CYS 25 HB3 CYS 25 -6.254 2.969 2.545
149 H GLN 26 H GLN 26 -4.544 4.172 -1.280
150 HA GLN 26 HA GLN 26 -7.334 4.234 -2.083
151 HB2 GLN 26 HB2 GLN 26 -4.816 4.768 -3.670
152 HB3 GLN 26 HB3 GLN 26 -6.460 4.893 -4.287
153 HG2 GLN 26 HG2 GLN 26 -5.256 6.562 -2.095
154 HG3 GLN 26 HG3 GLN 26 -5.547 7.075 -3.756
155 HE21 GLN 26 HE21 GLN 26 -6.562 8.102 -1.231
156 HE22 GLN 26 HE22 GLN 26 -8.281 8.060 -1.391
157 H VAL 27 H VAL 27 -8.117 2.263 -2.362
158 HA VAL 27 HA VAL 27 -6.389 0.105 -3.159
159 HB VAL 27 HB VAL 27 -9.406 0.104 -2.787
160 HG11 VAL 27 HG11 VAL 27 -9.168 -2.339 -2.650
161 HG12 VAL 27 HG12 VAL 27 -7.443 -2.182 -2.981
162 HG13 VAL 27 HG13 VAL 27 -8.616 -1.723 -4.212
163 HG21 VAL 27 HG21 VAL 27 -8.930 -0.982 -0.631
164 HG22 VAL 27 HG22 VAL 27 -8.277 0.655 -0.704
165 HG23 VAL 27 HG23 VAL 27 -7.205 -0.733 -0.897
166 H LEU 28 H LEU 28 -5.744 0.199 -5.123
167 HA LEU 28 HA LEU 28 -7.334 1.382 -7.231
168 HB2 LEU 28 HB2 LEU 28 -4.577 0.151 -7.267
169 HB3 LEU 28 HB3 LEU 28 -5.315 1.015 -8.598
170 HG LEU 28 HG LEU 28 -4.668 2.266 -5.918
171 HD11 LEU 28 HD11 LEU 28 -3.195 2.420 -8.537
172 HD12 LEU 28 HD12 LEU 28 -2.642 1.600 -7.079
173 HD13 LEU 28 HD13 LEU 28 -2.828 3.354 -7.086
174 HD21 LEU 28 HD21 LEU 28 -5.005 4.349 -7.105
175 HD22 LEU 28 HD22 LEU 28 -6.480 3.365 -7.128
176 HD23 LEU 28 HD23 LEU 28 -5.430 3.449 -8.559
177 H ASN 29 H ASN 29 -5.907 -1.701 -6.396
178 HA ASN 29 HA ASN 29 -7.719 -3.065 -8.228
179 HB2 ASN 29 HB2 ASN 29 -4.730 -3.586 -7.906
180 HB3 ASN 29 HB3 ASN 29 -5.856 -4.635 -8.752
181 HD21 ASN 29 HD21 ASN 29 -4.103 -1.642 -8.872
182 HD22 ASN 29 HD22 ASN 29 -4.387 -1.316 -10.533
183 HA PRO 30 HA PRO 30 -8.498 -5.717 -4.743
184 HB2 PRO 30 HB2 PRO 30 -7.320 -8.032 -6.217
185 HB3 PRO 30 HB3 PRO 30 -8.880 -7.903 -5.394
186 HG2 PRO 30 HG2 PRO 30 -8.782 -7.794 -8.029
187 HG3 PRO 30 HG3 PRO 30 -9.837 -6.682 -7.132
188 HD2 PRO 30 HD2 PRO 30 -7.191 -6.173 -8.409
189 HD3 PRO 30 HD3 PRO 30 -8.631 -5.134 -8.368
190 H TYR 31 H TYR 31 -5.351 -6.512 -6.266
191 HA TYR 31 HA TYR 31 -4.345 -7.113 -3.585
192 HB2 TYR 31 HB2 TYR 31 -2.985 -7.534 -6.263
193 HB3 TYR 31 HB3 TYR 31 -2.425 -8.103 -4.706
194 HD1 TYR 31 HD1 TYR 31 -5.166 -8.512 -7.198
195 HD2 TYR 31 HD2 TYR 31 -3.137 -10.201 -3.866
196 HE1 TYR 31 HE1 TYR 31 -6.362 -10.608 -7.545
197 HE2 TYR 31 HE2 TYR 31 -4.343 -12.311 -4.212
198 HH TYR 31 HH TYR 31 -6.415 -13.089 -5.247
199 H TYR 32 H TYR 32 -4.076 -4.783 -6.183
200 HA TYR 32 HA TYR 32 -1.853 -3.589 -4.756
201 HB2 TYR 32 HB2 TYR 32 -1.588 -3.861 -7.186
202 HB3 TYR 32 HB3 TYR 32 -2.907 -2.715 -7.437
203 HD1 TYR 32 HD1 TYR 32 -2.276 -0.527 -7.902
204 HD2 TYR 32 HD2 TYR 32 0.248 -2.939 -5.455
205 HE1 TYR 32 HE1 TYR 32 -0.672 1.301 -7.755
206 HE2 TYR 32 HE2 TYR 32 1.865 -1.099 -5.295
207 HH TYR 32 HH TYR 32 1.138 2.072 -6.442
208 H SER 33 H SER 33 -2.198 -2.206 -3.267
209 HA SER 33 HA SER 33 -4.269 -0.165 -3.618
210 HB2 SER 33 HB2 SER 33 -3.320 -1.443 -1.025
211 HB3 SER 33 HB3 SER 33 -4.613 -0.257 -1.193
212 HG SER 33 HG SER 33 -5.229 -2.539 -0.998
213 H GLN 34 H GLN 34 -3.443 1.963 -3.096
214 HA GLN 34 HA GLN 34 -0.629 2.038 -2.275
215 HB2 GLN 34 HB2 GLN 34 -0.492 2.163 -4.657
216 HB3 GLN 34 HB3 GLN 34 -1.794 3.338 -4.740
217 HG2 GLN 34 HG2 GLN 34 -0.390 5.010 -3.709
218 HG3 GLN 34 HG3 GLN 34 0.898 3.828 -3.494
219 HE21 GLN 34 HE21 GLN 34 2.192 3.316 -5.223
220 HE22 GLN 34 HE22 GLN 34 2.111 4.167 -6.723
221 H CYS 35 H CYS 35 -0.085 3.686 -0.958
222 HA CYS 35 HA CYS 35 -2.186 5.319 0.115
223 HB2 CYS 35 HB2 CYS 35 0.785 5.506 0.660
224 HB3 CYS 35 HB3 CYS 35 -0.505 6.286 1.549
225 H LEU 36 H LEU 36 -2.906 7.014 -0.838
226 HA LEU 36 HA LEU 36 -1.063 8.916 -2.045
227 HB2 LEU 36 HB2 LEU 36 -3.824 8.129 -3.008
228 HB3 LEU 36 HB3 LEU 36 -2.907 9.484 -3.630
229 HG LEU 36 HG LEU 36 -2.045 6.596 -3.848
230 HD11 LEU 36 HD11 LEU 36 -2.595 6.818 -6.217
231 HD12 LEU 36 HD12 LEU 36 -3.263 8.425 -5.916
232 HD13 LEU 36 HD13 LEU 36 -4.017 7.000 -5.194
233 HD21 LEU 36 HD21 LEU 36 -0.928 9.116 -5.086
234 HD22 LEU 36 HD22 LEU 36 -0.392 7.469 -5.426
235 HD23 LEU 36 HD23 LEU 36 -0.165 8.152 -3.820
236 H2 BGC 101 H2 BGC 101 8.292 2.832 0.540
237 H3 BGC 101 H3 BGC 101 5.741 1.277 0.881
238 H4 BGC 101 H4 BGC 101 8.617 0.834 1.770
239 H5 BGC 101 H5 BGC 101 6.025 1.387 3.348
240 H6C1 BGC 101 H61 BGC 101 8.958 1.134 4.121
241 H6C2 BGC 101 H62 BGC 101 7.620 0.095 4.671
242 H1 BGC 101 H1 BGC 101 5.609 3.325 1.844
243 HB BGC 101 HO2 BGC 101 6.881 4.169 -0.677
244 HC BGC 101 HO3 BGC 101 6.805 1.093 -1.184
245 HD BGC 101 HO4 BGC 101 7.489 -1.051 1.211
246 H6 BGC 101 HO6 BGC 101 7.555 2.902 5.116
Start of MODEL 5
1 H1 THR 1 H1 THR 1 5.044 2.273 9.306
2 H2 THR 1 H2 THR 1 3.629 1.321 9.258
3 H3 THR 1 H3 THR 1 3.830 2.566 10.411
4 HA THR 1 HA THR 1 2.350 3.203 8.637
5 HB THR 1 HB THR 1 4.823 4.917 8.742
6 HG1 THR 1 HG1 THR 1 3.547 5.443 10.912
7 HG21 THR 1 HG21 THR 1 3.129 6.671 9.085
8 HG22 THR 1 HG22 THR 1 1.858 5.444 9.077
9 HG23 THR 1 HG23 THR 1 2.800 5.750 7.620
10 H GLN 2 H GLN 2 2.080 3.484 6.454
11 HA GLN 2 HA GLN 2 4.239 2.511 4.760
12 HB2 GLN 2 HB2 GLN 2 1.971 1.455 4.648
13 HB3 GLN 2 HB3 GLN 2 1.343 2.984 4.047
14 HG2 GLN 2 HG2 GLN 2 1.740 1.421 2.223
15 HG3 GLN 2 HG3 GLN 2 2.788 2.833 2.108
16 HE21 GLN 2 HE21 GLN 2 2.654 -0.534 2.859
17 HE22 GLN 2 HE22 GLN 2 4.339 -0.850 2.754
18 H SER 3 H SER 3 5.316 3.862 3.452
19 HA SER 3 HA SER 3 4.871 6.617 3.473
20 HB2 SER 3 HB2 SER 3 6.720 6.763 1.898
21 HB3 SER 3 HB3 SER 3 7.124 5.708 3.237
22 H HIS 4 H HIS 4 4.838 7.923 1.458
23 HA HIS 4 HA HIS 4 2.399 7.569 0.102
24 HB2 HIS 4 HB2 HIS 4 3.772 9.717 0.592
25 HB3 HIS 4 HB3 HIS 4 4.680 9.309 -0.851
26 HD1 HIS 4 HD1 HIS 4 3.602 11.819 -1.393
27 HD2 HIS 4 HD2 HIS 4 1.033 8.572 -1.485
28 HE1 HIS 4 HE1 HIS 4 1.587 12.601 -2.664
29 HE2 HIS 4 HE2 HIS 4 -0.061 10.773 -2.121
30 H TYR 5 H TYR 5 1.943 6.542 -1.771
31 HA TYR 5 HA TYR 5 2.062 5.455 -3.655
32 HB2 TYR 5 HB2 TYR 5 4.973 6.256 -3.855
33 HB3 TYR 5 HB3 TYR 5 4.067 5.433 -5.116
34 HD1 TYR 5 HD1 TYR 5 4.984 8.606 -3.835
35 HD2 TYR 5 HD2 TYR 5 1.897 6.549 -5.886
36 HE1 TYR 5 HE1 TYR 5 4.106 10.746 -4.640
37 HE2 TYR 5 HE2 TYR 5 1.005 8.690 -6.705
38 HH TYR 5 HH TYR 5 1.058 11.074 -5.921
39 H GLY 6 H GLY 6 3.197 4.457 -0.934
40 HA2 GLY 6 HA2 GLY 6 4.272 1.966 -1.927
41 HA3 GLY 6 HA3 GLY 6 4.102 2.422 -0.231
42 H GLN 7 H GLN 7 3.256 -0.030 -1.544
43 HA GLN 7 HA GLN 7 0.420 -0.027 -1.725
44 HB2 GLN 7 HB2 GLN 7 1.727 -1.857 -2.710
45 HB3 GLN 7 HB3 GLN 7 2.281 -2.329 -1.112
46 HG2 GLN 7 HG2 GLN 7 -0.189 -2.748 -0.507
47 HG3 GLN 7 HG3 GLN 7 -0.515 -2.472 -2.190
48 HE21 GLN 7 HE21 GLN 7 -1.336 -4.684 -2.323
49 HE22 GLN 7 HE22 GLN 7 -0.207 -5.952 -2.530
50 H CYS 8 H CYS 8 -0.794 0.473 -0.122
51 HA CYS 8 HA CYS 8 0.030 0.334 2.595
52 HB2 CYS 8 HB2 CYS 8 -2.411 0.988 2.960
53 HB3 CYS 8 HB3 CYS 8 -1.376 2.111 2.086
54 H GLY 9 H GLY 9 -2.412 -1.441 0.726
55 HA2 GLY 9 HA2 GLY 9 -2.242 -3.589 2.616
56 HA3 GLY 9 HA3 GLY 9 -3.711 -2.643 2.772
57 H GLY 10 H GLY 10 -1.954 -4.842 0.926
58 HA2 GLY 10 HA2 GLY 10 -4.102 -5.035 -1.048
59 HA3 GLY 10 HA3 GLY 10 -2.528 -5.792 -1.163
60 H ILE 11 H ILE 11 -5.113 -7.014 -1.393
61 HA ILE 11 HA ILE 11 -5.607 -8.580 0.904
62 HB ILE 11 HB ILE 11 -6.129 -9.221 -2.016
63 HG12 ILE 11 HG12 ILE 11 -7.994 -8.141 0.106
64 HG13 ILE 11 HG13 ILE 11 -7.269 -7.179 -1.176
65 HG21 ILE 11 HG21 ILE 11 -6.070 -11.215 -0.651
66 HG22 ILE 11 HG22 ILE 11 -7.713 -10.868 -1.219
67 HG23 ILE 11 HG23 ILE 11 -7.263 -10.524 0.459
68 HD11 ILE 11 HD11 ILE 11 -9.203 -9.459 -1.531
69 HD12 ILE 11 HD12 ILE 11 -8.475 -8.526 -2.833
70 HD13 ILE 11 HD13 ILE 11 -9.568 -7.744 -1.696
71 H GLY 12 H GLY 12 -4.108 -9.839 1.816
72 HA2 GLY 12 HA2 GLY 12 -2.769 -11.803 1.781
73 HA3 GLY 12 HA3 GLY 12 -2.481 -11.502 0.072
74 H TYR 13 H TYR 13 -2.260 -8.600 1.540
75 HA TYR 13 HA TYR 13 0.655 -8.784 1.816
76 HB2 TYR 13 HB2 TYR 13 -0.141 -7.182 0.062
77 HB3 TYR 13 HB3 TYR 13 -1.159 -6.419 1.259
78 HD1 TYR 13 HD1 TYR 13 2.397 -7.027 0.373
79 HD2 TYR 13 HD2 TYR 13 -0.360 -4.653 2.572
80 HE1 TYR 13 HE1 TYR 13 4.196 -5.427 0.902
81 HE2 TYR 13 HE2 TYR 13 1.430 -3.055 3.106
82 HH TYR 13 HH TYR 13 4.365 -3.068 1.507
83 H SER 14 H SER 14 1.458 -8.533 3.854
84 HA SER 14 HA SER 14 -0.365 -7.439 5.867
85 HB2 SER 14 HB2 SER 14 0.824 -9.022 7.466
86 HB3 SER 14 HB3 SER 14 -0.256 -9.770 6.284
87 HG SER 14 HG SER 14 1.340 -10.744 5.447
88 H GLY 15 H GLY 15 1.833 -6.227 4.245
89 HA2 GLY 15 HA2 GLY 15 3.890 -5.502 6.115
90 HA3 GLY 15 HA3 GLY 15 3.579 -4.746 4.560
91 HA PRO 16 HA PRO 16 2.251 -1.748 7.913
92 HB2 PRO 16 HB2 PRO 16 3.242 0.454 6.560
93 HB3 PRO 16 HB3 PRO 16 4.115 -0.419 7.818
94 HG2 PRO 16 HG2 PRO 16 4.382 -0.575 4.861
95 HG3 PRO 16 HG3 PRO 16 5.631 -0.719 6.107
96 HD2 PRO 16 HD2 PRO 16 4.606 -2.847 4.763
97 HD3 PRO 16 HD3 PRO 16 5.217 -2.956 6.424
98 H THR 17 H THR 17 0.100 -1.644 7.604
99 HA THR 17 HA THR 17 -0.959 -1.047 4.991
100 HB THR 17 HB THR 17 -3.152 -1.508 6.102
101 HG1 THR 17 HG1 THR 17 -3.077 -1.385 8.138
102 HG21 THR 17 HG21 THR 17 -1.022 -3.640 6.329
103 HG22 THR 17 HG22 THR 17 -1.970 -3.262 4.889
104 HG23 THR 17 HG23 THR 17 -2.764 -3.931 6.314
105 H VAL 18 H VAL 18 -0.559 0.557 8.016
106 HA VAL 18 HA VAL 18 -2.543 2.556 7.434
107 HB VAL 18 HB VAL 18 -0.479 2.421 9.640
108 HG11 VAL 18 HG11 VAL 18 -1.069 4.715 9.286
109 HG12 VAL 18 HG12 VAL 18 -1.864 4.151 10.759
110 HG13 VAL 18 HG13 VAL 18 -2.790 4.325 9.268
111 HG21 VAL 18 HG21 VAL 18 -2.124 0.633 9.799
112 HG22 VAL 18 HG22 VAL 18 -3.430 1.810 9.682
113 HG23 VAL 18 HG23 VAL 18 -2.365 1.813 11.086
114 H CYS 19 H CYS 19 -2.157 4.083 6.037
115 HA CYS 19 HA CYS 19 0.444 4.701 5.065
116 HB2 CYS 19 HB2 CYS 19 -2.151 6.187 4.649
117 HB3 CYS 19 HB3 CYS 19 -0.678 6.329 3.688
118 H ALA 20 H ALA 20 1.503 6.693 5.156
119 HA ALA 20 HA ALA 20 1.735 7.902 7.650
120 HB1 ALA 20 HB1 ALA 20 3.074 9.590 6.502
121 HB2 ALA 20 HB2 ALA 20 2.469 9.026 4.943
122 HB3 ALA 20 HB3 ALA 20 3.482 7.971 5.933
123 H SER 21 H SER 21 0.928 9.809 8.509
124 HA SER 21 HA SER 21 -1.703 10.460 7.998
125 HB2 SER 21 HB2 SER 21 0.402 12.182 9.316
126 HB3 SER 21 HB3 SER 21 -1.346 12.241 9.593
127 HG SER 21 HG SER 21 -1.283 10.334 10.597
128 H GLY 22 H GLY 22 -2.481 11.356 6.220
129 HA2 GLY 22 HA2 GLY 22 -2.658 13.526 5.019
130 HA3 GLY 22 HA3 GLY 22 -0.907 13.457 4.880
131 H THR 23 H THR 23 -1.372 10.407 4.561
132 HA THR 23 HA THR 23 -2.134 10.571 1.744
133 HB THR 23 HB THR 23 -0.653 8.639 1.306
134 HG1 THR 23 HG1 THR 23 -0.241 8.827 4.086
135 HG21 THR 23 HG21 THR 23 1.504 9.806 1.517
136 HG22 THR 23 HG22 THR 23 0.758 10.947 2.637
137 HG23 THR 23 HG23 THR 23 0.224 10.886 0.959
138 H THR 24 H THR 24 -3.431 8.915 0.951
139 HA THR 24 HA THR 24 -4.840 7.470 3.085
140 HB THR 24 HB THR 24 -6.830 7.662 1.542
141 HG1 THR 24 HG1 THR 24 -4.922 9.121 0.070
142 HG21 THR 24 HG21 THR 24 -7.345 9.980 2.213
143 HG22 THR 24 HG22 THR 24 -5.644 10.236 2.608
144 HG23 THR 24 HG23 THR 24 -6.601 9.078 3.533
145 H CYS 25 H CYS 25 -5.314 5.341 2.751
146 HA CYS 25 HA CYS 25 -3.865 3.945 0.726
147 HB2 CYS 25 HB2 CYS 25 -4.179 2.949 2.948
148 HB3 CYS 25 HB3 CYS 25 -5.929 2.945 2.722
149 H GLN 26 H GLN 26 -4.544 4.138 -1.307
150 HA GLN 26 HA GLN 26 -7.406 4.038 -1.851
151 HB2 GLN 26 HB2 GLN 26 -5.093 4.897 -3.578
152 HB3 GLN 26 HB3 GLN 26 -6.787 4.940 -4.053
153 HG2 GLN 26 HG2 GLN 26 -5.560 6.507 -1.792
154 HG3 GLN 26 HG3 GLN 26 -5.941 7.150 -3.383
155 HE21 GLN 26 HE21 GLN 26 -6.878 7.876 -0.756
156 HE22 GLN 26 HE22 GLN 26 -8.597 7.797 -0.791
157 H VAL 27 H VAL 27 -8.091 2.092 -2.338
158 HA VAL 27 HA VAL 27 -6.409 0.005 -3.291
159 HB VAL 27 HB VAL 27 -9.441 0.173 -3.297
160 HG11 VAL 27 HG11 VAL 27 -8.574 -1.572 -4.767
161 HG12 VAL 27 HG12 VAL 27 -9.383 -2.277 -3.371
162 HG13 VAL 27 HG13 VAL 27 -7.617 -2.221 -3.439
163 HG21 VAL 27 HG21 VAL 27 -7.589 -0.983 -1.218
164 HG22 VAL 27 HG22 VAL 27 -9.351 -1.103 -1.200
165 HG23 VAL 27 HG23 VAL 27 -8.575 0.473 -1.040
166 H LEU 28 H LEU 28 -5.547 0.218 -5.242
167 HA LEU 28 HA LEU 28 -6.922 1.711 -7.337
168 HB2 LEU 28 HB2 LEU 28 -4.223 0.373 -7.424
169 HB3 LEU 28 HB3 LEU 28 -4.849 1.532 -8.570
170 HG LEU 28 HG LEU 28 -4.013 2.065 -5.725
171 HD11 LEU 28 HD11 LEU 28 -2.929 3.002 -8.364
172 HD12 LEU 28 HD12 LEU 28 -2.209 1.778 -7.330
173 HD13 LEU 28 HD13 LEU 28 -2.312 3.453 -6.776
174 HD21 LEU 28 HD21 LEU 28 -4.501 4.382 -6.175
175 HD22 LEU 28 HD22 LEU 28 -5.966 3.397 -6.312
176 HD23 LEU 28 HD23 LEU 28 -5.123 3.953 -7.771
177 H ASN 29 H ASN 29 -5.659 -1.478 -6.672
178 HA ASN 29 HA ASN 29 -7.139 -2.569 -8.956
179 HB2 ASN 29 HB2 ASN 29 -4.493 -3.592 -7.809
180 HB3 ASN 29 HB3 ASN 29 -5.413 -4.354 -9.080
181 HD21 ASN 29 HD21 ASN 29 -4.773 -0.905 -8.964
182 HD22 ASN 29 HD22 ASN 29 -3.683 -0.879 -10.307
183 HA PRO 30 HA PRO 30 -9.102 -5.175 -5.892
184 HB2 PRO 30 HB2 PRO 30 -8.029 -7.608 -7.244
185 HB3 PRO 30 HB3 PRO 30 -9.695 -7.222 -6.793
186 HG2 PRO 30 HG2 PRO 30 -8.974 -7.027 -9.318
187 HG3 PRO 30 HG3 PRO 30 -9.983 -5.762 -8.593
188 HD2 PRO 30 HD2 PRO 30 -7.042 -5.731 -9.169
189 HD3 PRO 30 HD3 PRO 30 -8.242 -4.444 -9.411
190 H TYR 31 H TYR 31 -5.765 -6.033 -6.618
191 HA TYR 31 HA TYR 31 -5.431 -6.852 -3.788
192 HB2 TYR 31 HB2 TYR 31 -3.820 -7.717 -6.196
193 HB3 TYR 31 HB3 TYR 31 -3.467 -8.156 -4.528
194 HD1 TYR 31 HD1 TYR 31 -4.788 -9.802 -3.378
195 HD2 TYR 31 HD2 TYR 31 -5.762 -8.666 -7.344
196 HE1 TYR 31 HE1 TYR 31 -6.313 -11.720 -3.542
197 HE2 TYR 31 HE2 TYR 31 -7.289 -10.579 -7.531
198 HH TYR 31 HH TYR 31 -7.628 -12.775 -6.487
199 H TYR 32 H TYR 32 -4.351 -4.670 -6.244
200 HA TYR 32 HA TYR 32 -2.193 -3.810 -4.497
201 HB2 TYR 32 HB2 TYR 32 -1.626 -4.016 -6.900
202 HB3 TYR 32 HB3 TYR 32 -2.790 -2.740 -7.268
203 HD1 TYR 32 HD1 TYR 32 -2.126 -0.457 -7.168
204 HD2 TYR 32 HD2 TYR 32 0.253 -3.441 -5.284
205 HE1 TYR 32 HE1 TYR 32 -0.414 1.231 -6.650
206 HE2 TYR 32 HE2 TYR 32 1.961 -1.772 -4.773
207 HH TYR 32 HH TYR 32 2.708 0.376 -5.540
208 H SER 33 H SER 33 -2.481 -2.296 -3.065
209 HA SER 33 HA SER 33 -4.332 -0.109 -3.656
210 HB2 SER 33 HB2 SER 33 -3.782 -1.357 -0.944
211 HB3 SER 33 HB3 SER 33 -4.956 -0.083 -1.303
212 HG SER 33 HG SER 33 -5.439 -2.135 -2.929
213 H GLN 34 H GLN 34 -3.456 1.950 -3.129
214 HA GLN 34 HA GLN 34 -0.649 1.944 -2.242
215 HB2 GLN 34 HB2 GLN 34 -0.541 2.018 -4.615
216 HB3 GLN 34 HB3 GLN 34 -1.843 3.185 -4.713
217 HG2 GLN 34 HG2 GLN 34 -0.441 4.905 -3.852
218 HG3 GLN 34 HG3 GLN 34 0.863 3.744 -3.537
219 HE21 GLN 34 HE21 GLN 34 2.106 3.062 -5.264
220 HE22 GLN 34 HE22 GLN 34 2.018 3.765 -6.826
221 H CYS 35 H CYS 35 -0.059 3.650 -0.965
222 HA CYS 35 HA CYS 35 -2.153 5.323 0.069
223 HB2 CYS 35 HB2 CYS 35 0.817 5.584 0.599
224 HB3 CYS 35 HB3 CYS 35 -0.531 6.278 1.492
225 H LEU 36 H LEU 36 -2.836 7.017 -0.911
226 HA LEU 36 HA LEU 36 -1.010 8.619 -2.523
227 HB2 LEU 36 HB2 LEU 36 -3.950 8.055 -2.903
228 HB3 LEU 36 HB3 LEU 36 -3.039 9.231 -3.838
229 HG LEU 36 HG LEU 36 -2.358 6.291 -3.762
230 HD11 LEU 36 HD11 LEU 36 -3.323 6.153 -5.963
231 HD12 LEU 36 HD12 LEU 36 -3.898 7.822 -5.843
232 HD13 LEU 36 HD13 LEU 36 -4.546 6.579 -4.772
233 HD21 LEU 36 HD21 LEU 36 -1.476 8.538 -5.555
234 HD22 LEU 36 HD22 LEU 36 -1.042 6.842 -5.740
235 HD23 LEU 36 HD23 LEU 36 -0.500 7.740 -4.324
236 H2 BGC 101 H2 BGC 101 8.542 2.781 0.721
237 H3 BGC 101 H3 BGC 101 6.291 0.890 1.429
238 H4 BGC 101 H4 BGC 101 9.122 1.232 2.533
239 H5 BGC 101 H5 BGC 101 6.341 1.700 3.757
240 H6C1 BGC 101 H61 BGC 101 9.161 2.188 4.800
241 H6C2 BGC 101 H62 BGC 101 7.981 1.049 5.492
242 H1 BGC 101 H1 BGC 101 5.758 3.156 1.925
243 HB BGC 101 HO2 BGC 101 7.319 1.957 -1.020
244 HC BGC 101 HO3 BGC 101 7.737 -0.695 0.681
245 HD BGC 101 HO4 BGC 101 8.382 -0.952 2.498
246 H6 BGC 101 HO6 BGC 101 6.691 2.808 6.134
Start of MODEL 6
1 H1 THR 1 H1 THR 1 5.001 1.849 8.956
2 H2 THR 1 H2 THR 1 4.801 2.866 10.330
3 H3 THR 1 H3 THR 1 5.861 3.292 9.067
4 HA THR 1 HA THR 1 2.976 3.049 8.791
5 HB THR 1 HB THR 1 4.731 5.517 8.938
6 HG1 THR 1 HG1 THR 1 3.946 5.756 11.009
7 HG21 THR 1 HG21 THR 1 2.646 5.761 7.647
8 HG22 THR 1 HG22 THR 1 2.594 6.690 9.146
9 HG23 THR 1 HG23 THR 1 1.727 5.161 9.027
10 H GLN 2 H GLN 2 2.378 3.037 6.655
11 HA GLN 2 HA GLN 2 4.408 2.688 4.686
12 HB2 GLN 2 HB2 GLN 2 2.272 1.423 4.677
13 HB3 GLN 2 HB3 GLN 2 1.404 2.922 4.407
14 HG2 GLN 2 HG2 GLN 2 1.619 1.646 2.354
15 HG3 GLN 2 HG3 GLN 2 2.472 3.181 2.247
16 HE21 GLN 2 HE21 GLN 2 2.794 -0.257 2.415
17 HE22 GLN 2 HE22 GLN 2 4.442 -0.319 1.934
18 H SER 3 H SER 3 5.239 4.167 3.400
19 HA SER 3 HA SER 3 4.518 6.885 3.792
20 HB2 SER 3 HB2 SER 3 6.490 7.409 2.599
21 HB3 SER 3 HB3 SER 3 6.875 6.058 3.645
22 H HIS 4 H HIS 4 4.822 8.208 1.529
23 HA HIS 4 HA HIS 4 2.324 7.758 0.211
24 HB2 HIS 4 HB2 HIS 4 3.434 10.031 0.702
25 HB3 HIS 4 HB3 HIS 4 4.521 9.669 -0.626
26 HD1 HIS 4 HD1 HIS 4 3.546 11.891 -1.759
27 HD2 HIS 4 HD2 HIS 4 0.809 8.808 -1.290
28 HE1 HIS 4 HE1 HIS 4 1.589 12.521 -3.153
29 HE2 HIS 4 HE2 HIS 4 -0.145 10.913 -2.492
30 H TYR 5 H TYR 5 1.959 6.722 -1.660
31 HA TYR 5 HA TYR 5 2.198 5.653 -3.557
32 HB2 TYR 5 HB2 TYR 5 5.087 6.552 -3.576
33 HB3 TYR 5 HB3 TYR 5 4.364 5.585 -4.850
34 HD1 TYR 5 HD1 TYR 5 4.846 8.904 -3.549
35 HD2 TYR 5 HD2 TYR 5 2.449 6.567 -6.164
36 HE1 TYR 5 HE1 TYR 5 4.101 10.951 -4.685
37 HE2 TYR 5 HE2 TYR 5 1.692 8.609 -7.305
38 HH TYR 5 HH TYR 5 1.483 10.957 -6.880
39 H GLY 6 H GLY 6 3.246 4.658 -0.749
40 HA2 GLY 6 HA2 GLY 6 4.472 2.193 -1.649
41 HA3 GLY 6 HA3 GLY 6 4.102 2.642 0.015
42 H GLN 7 H GLN 7 3.524 0.113 -1.277
43 HA GLN 7 HA GLN 7 0.707 0.052 -1.789
44 HB2 GLN 7 HB2 GLN 7 2.344 -1.560 -2.797
45 HB3 GLN 7 HB3 GLN 7 2.545 -2.271 -1.201
46 HG2 GLN 7 HG2 GLN 7 0.121 -2.809 -1.182
47 HG3 GLN 7 HG3 GLN 7 0.008 -2.164 -2.808
48 HE21 GLN 7 HE21 GLN 7 -0.563 -4.875 -1.996
49 HE22 GLN 7 HE22 GLN 7 0.514 -5.868 -2.906
50 H CYS 8 H CYS 8 -0.587 0.475 -0.168
51 HA CYS 8 HA CYS 8 0.065 0.081 2.558
52 HB2 CYS 8 HB2 CYS 8 -2.430 0.636 2.836
53 HB3 CYS 8 HB3 CYS 8 -1.360 1.862 2.155
54 H GLY 9 H GLY 9 -2.009 -1.727 0.330
55 HA2 GLY 9 HA2 GLY 9 -1.624 -4.161 1.380
56 HA3 GLY 9 HA3 GLY 9 -2.765 -3.459 2.512
57 H GLY 10 H GLY 10 -2.326 -5.034 -0.390
58 HA2 GLY 10 HA2 GLY 10 -5.153 -4.754 -1.126
59 HA3 GLY 10 HA3 GLY 10 -3.886 -5.493 -2.109
60 H ILE 11 H ILE 11 -5.730 -7.180 -2.056
61 HA ILE 11 HA ILE 11 -6.125 -8.808 0.168
62 HB ILE 11 HB ILE 11 -6.083 -9.600 -2.766
63 HG12 ILE 11 HG12 ILE 11 -8.407 -8.951 -0.930
64 HG13 ILE 11 HG13 ILE 11 -7.751 -7.867 -2.150
65 HG21 ILE 11 HG21 ILE 11 -7.186 -11.135 -0.406
66 HG22 ILE 11 HG22 ILE 11 -5.792 -11.586 -1.390
67 HG23 ILE 11 HG23 ILE 11 -7.405 -11.568 -2.103
68 HD11 ILE 11 HD11 ILE 11 -9.792 -8.945 -2.912
69 HD12 ILE 11 HD12 ILE 11 -9.061 -10.533 -2.667
70 HD13 ILE 11 HD13 ILE 11 -8.419 -9.446 -3.897
71 H GLY 12 H GLY 12 -4.646 -9.761 1.360
72 HA2 GLY 12 HA2 GLY 12 -3.170 -11.623 1.628
73 HA3 GLY 12 HA3 GLY 12 -2.517 -11.285 0.032
74 H TYR 13 H TYR 13 -2.372 -8.406 0.596
75 HA TYR 13 HA TYR 13 0.305 -8.476 1.642
76 HB2 TYR 13 HB2 TYR 13 -0.368 -6.975 -0.250
77 HB3 TYR 13 HB3 TYR 13 -1.338 -6.050 0.880
78 HD1 TYR 13 HD1 TYR 13 1.953 -6.600 -0.473
79 HD2 TYR 13 HD2 TYR 13 -0.140 -4.781 2.752
80 HE1 TYR 13 HE1 TYR 13 3.923 -5.234 0.028
81 HE2 TYR 13 HE2 TYR 13 1.804 -3.410 3.269
82 HH TYR 13 HH TYR 13 4.421 -3.093 1.128
83 H SER 14 H SER 14 0.673 -8.554 3.714
84 HA SER 14 HA SER 14 -1.168 -7.193 5.563
85 HB2 SER 14 HB2 SER 14 0.449 -9.636 5.980
86 HB3 SER 14 HB3 SER 14 -0.754 -9.003 7.110
87 HG SER 14 HG SER 14 -1.201 -10.016 4.484
88 H GLY 15 H GLY 15 1.228 -6.044 4.355
89 HA2 GLY 15 HA2 GLY 15 3.227 -6.052 6.490
90 HA3 GLY 15 HA3 GLY 15 3.413 -5.319 4.906
91 HA PRO 16 HA PRO 16 2.646 -1.621 7.524
92 HB2 PRO 16 HB2 PRO 16 3.575 0.149 5.617
93 HB3 PRO 16 HB3 PRO 16 4.587 -0.602 6.848
94 HG2 PRO 16 HG2 PRO 16 4.258 -1.310 3.980
95 HG3 PRO 16 HG3 PRO 16 5.702 -1.385 4.995
96 HD2 PRO 16 HD2 PRO 16 4.244 -3.566 4.308
97 HD3 PRO 16 HD3 PRO 16 5.169 -3.465 5.818
98 H THR 17 H THR 17 0.488 -1.663 7.471
99 HA THR 17 HA THR 17 -0.945 -1.251 5.024
100 HB THR 17 HB THR 17 -2.899 -1.713 6.595
101 HG1 THR 17 HG1 THR 17 -2.323 -1.677 8.606
102 HG21 THR 17 HG21 THR 17 -1.954 -3.394 5.062
103 HG22 THR 17 HG22 THR 17 -2.377 -4.145 6.606
104 HG23 THR 17 HG23 THR 17 -0.694 -3.762 6.232
105 H VAL 18 H VAL 18 -0.316 0.551 7.981
106 HA VAL 18 HA VAL 18 -2.420 2.447 7.346
107 HB VAL 18 HB VAL 18 -0.390 2.562 9.600
108 HG11 VAL 18 HG11 VAL 18 -2.920 4.141 9.146
109 HG12 VAL 18 HG12 VAL 18 -1.265 4.762 9.088
110 HG13 VAL 18 HG13 VAL 18 -1.944 4.188 10.612
111 HG21 VAL 18 HG21 VAL 18 -2.225 1.815 11.042
112 HG22 VAL 18 HG22 VAL 18 -1.841 0.615 9.805
113 HG23 VAL 18 HG23 VAL 18 -3.263 1.641 9.628
114 H CYS 19 H CYS 19 -2.154 4.241 6.273
115 HA CYS 19 HA CYS 19 0.437 4.848 5.148
116 HB2 CYS 19 HB2 CYS 19 -2.227 6.198 4.711
117 HB3 CYS 19 HB3 CYS 19 -0.785 6.323 3.706
118 H ALA 20 H ALA 20 1.466 6.821 5.374
119 HA ALA 20 HA ALA 20 1.433 8.079 7.878
120 HB1 ALA 20 HB1 ALA 20 2.951 9.707 6.894
121 HB2 ALA 20 HB2 ALA 20 2.513 9.159 5.278
122 HB3 ALA 20 HB3 ALA 20 3.370 8.075 6.373
123 H SER 21 H SER 21 0.829 10.213 8.492
124 HA SER 21 HA SER 21 -1.722 11.025 7.835
125 HB2 SER 21 HB2 SER 21 0.521 12.707 8.959
126 HB3 SER 21 HB3 SER 21 -1.214 12.974 9.169
127 HG SER 21 HG SER 21 -0.348 11.962 10.963
128 H GLY 22 H GLY 22 -2.432 11.859 5.958
129 HA2 GLY 22 HA2 GLY 22 -2.338 13.820 4.497
130 HA3 GLY 22 HA3 GLY 22 -0.597 13.560 4.402
131 H THR 23 H THR 23 -1.476 10.556 4.506
132 HA THR 23 HA THR 23 -2.215 10.381 1.682
133 HB THR 23 HB THR 23 -0.769 8.394 1.442
134 HG1 THR 23 HG1 THR 23 -0.309 8.890 4.183
135 HG21 THR 23 HG21 THR 23 0.706 10.779 2.553
136 HG22 THR 23 HG22 THR 23 0.188 10.557 0.879
137 HG23 THR 23 HG23 THR 23 1.417 9.500 1.571
138 H THR 24 H THR 24 -3.539 8.612 1.130
139 HA THR 24 HA THR 24 -4.603 7.064 3.377
140 HB THR 24 HB THR 24 -6.812 7.190 2.000
141 HG1 THR 24 HG1 THR 24 -5.316 8.868 0.542
142 HG21 THR 24 HG21 THR 24 -5.840 9.524 3.652
143 HG22 THR 24 HG22 THR 24 -6.577 8.039 4.268
144 HG23 THR 24 HG23 THR 24 -7.526 9.152 3.285
145 H CYS 25 H CYS 25 -5.186 4.932 2.904
146 HA CYS 25 HA CYS 25 -3.800 3.762 0.747
147 HB2 CYS 25 HB2 CYS 25 -4.155 2.578 2.865
148 HB3 CYS 25 HB3 CYS 25 -5.893 2.566 2.585
149 H GLN 26 H GLN 26 -4.421 4.059 -1.276
150 HA GLN 26 HA GLN 26 -7.256 4.088 -1.958
151 HB2 GLN 26 HB2 GLN 26 -4.811 4.515 -3.683
152 HB3 GLN 26 HB3 GLN 26 -6.473 4.740 -4.189
153 HG2 GLN 26 HG2 GLN 26 -4.984 6.366 -2.143
154 HG3 GLN 26 HG3 GLN 26 -5.389 6.849 -3.790
155 HE21 GLN 26 HE21 GLN 26 -6.029 8.135 -1.344
156 HE22 GLN 26 HE22 GLN 26 -7.748 8.233 -1.241
157 H VAL 27 H VAL 27 -8.070 2.104 -2.278
158 HA VAL 27 HA VAL 27 -6.397 -0.063 -3.121
159 HB VAL 27 HB VAL 27 -9.438 0.071 -2.941
160 HG11 VAL 27 HG11 VAL 27 -8.683 -1.696 -4.451
161 HG12 VAL 27 HG12 VAL 27 -9.366 -2.373 -2.972
162 HG13 VAL 27 HG13 VAL 27 -7.616 -2.320 -3.196
163 HG21 VAL 27 HG21 VAL 27 -8.367 0.413 -0.772
164 HG22 VAL 27 HG22 VAL 27 -7.410 -1.048 -1.005
165 HG23 VAL 27 HG23 VAL 27 -9.163 -1.162 -0.835
166 H LEU 28 H LEU 28 -5.557 0.259 -5.028
167 HA LEU 28 HA LEU 28 -6.974 1.503 -7.200
168 HB2 LEU 28 HB2 LEU 28 -4.277 0.145 -7.134
169 HB3 LEU 28 HB3 LEU 28 -4.906 1.064 -8.484
170 HG LEU 28 HG LEU 28 -4.276 2.218 -5.757
171 HD11 LEU 28 HD11 LEU 28 -2.274 1.539 -6.917
172 HD12 LEU 28 HD12 LEU 28 -2.403 3.299 -6.907
173 HD13 LEU 28 HD13 LEU 28 -2.789 2.392 -8.370
174 HD21 LEU 28 HD21 LEU 28 -6.049 3.433 -6.909
175 HD22 LEU 28 HD22 LEU 28 -5.024 3.524 -8.352
176 HD23 LEU 28 HD23 LEU 28 -4.539 4.361 -6.876
177 H ASN 29 H ASN 29 -5.880 -1.685 -6.305
178 HA ASN 29 HA ASN 29 -7.748 -2.887 -8.167
179 HB2 ASN 29 HB2 ASN 29 -4.807 -3.690 -7.954
180 HB3 ASN 29 HB3 ASN 29 -6.056 -4.548 -8.843
181 HD21 ASN 29 HD21 ASN 29 -3.903 -1.869 -8.823
182 HD22 ASN 29 HD22 ASN 29 -4.130 -1.401 -10.467
183 HA PRO 30 HA PRO 30 -8.598 -5.488 -4.691
184 HB2 PRO 30 HB2 PRO 30 -7.724 -7.863 -6.289
185 HB3 PRO 30 HB3 PRO 30 -9.202 -7.625 -5.346
186 HG2 PRO 30 HG2 PRO 30 -9.343 -7.408 -7.960
187 HG3 PRO 30 HG3 PRO 30 -10.142 -6.195 -6.946
188 HD2 PRO 30 HD2 PRO 30 -7.536 -5.993 -8.407
189 HD3 PRO 30 HD3 PRO 30 -8.838 -4.793 -8.274
190 H TYR 31 H TYR 31 -5.519 -6.425 -6.296
191 HA TYR 31 HA TYR 31 -4.518 -7.148 -3.621
192 HB2 TYR 31 HB2 TYR 31 -3.293 -7.640 -6.344
193 HB3 TYR 31 HB3 TYR 31 -2.577 -8.102 -4.817
194 HD1 TYR 31 HD1 TYR 31 -3.030 -10.181 -3.898
195 HD2 TYR 31 HD2 TYR 31 -5.573 -8.696 -6.963
196 HE1 TYR 31 HE1 TYR 31 -4.117 -12.365 -4.045
197 HE2 TYR 31 HE2 TYR 31 -6.677 -10.885 -7.114
198 HH TYR 31 HH TYR 31 -6.107 -13.362 -4.794
199 H TYR 32 H TYR 32 -4.095 -4.815 -6.201
200 HA TYR 32 HA TYR 32 -1.824 -3.750 -4.741
201 HB2 TYR 32 HB2 TYR 32 -1.528 -4.035 -7.195
202 HB3 TYR 32 HB3 TYR 32 -2.762 -2.805 -7.450
203 HD1 TYR 32 HD1 TYR 32 -2.042 -0.594 -7.763
204 HD2 TYR 32 HD2 TYR 32 0.421 -3.270 -5.542
205 HE1 TYR 32 HE1 TYR 32 -0.341 1.154 -7.544
206 HE2 TYR 32 HE2 TYR 32 2.137 -1.516 -5.318
207 HH TYR 32 HH TYR 32 1.533 1.750 -6.193
208 H SER 33 H SER 33 -2.144 -2.312 -3.245
209 HA SER 33 HA SER 33 -4.116 -0.199 -3.734
210 HB2 SER 33 HB2 SER 33 -3.388 -1.417 -1.049
211 HB3 SER 33 HB3 SER 33 -4.613 -0.189 -1.344
212 HG SER 33 HG SER 33 -5.202 -2.533 -1.125
213 H GLN 34 H GLN 34 -3.316 1.898 -3.120
214 HA GLN 34 HA GLN 34 -0.532 1.947 -2.207
215 HB2 GLN 34 HB2 GLN 34 -0.323 2.053 -4.593
216 HB3 GLN 34 HB3 GLN 34 -1.600 3.247 -4.709
217 HG2 GLN 34 HG2 GLN 34 -0.190 4.908 -3.660
218 HG3 GLN 34 HG3 GLN 34 1.075 3.707 -3.417
219 HE21 GLN 34 HE21 GLN 34 2.449 3.220 -5.080
220 HE22 GLN 34 HE22 GLN 34 2.392 4.000 -6.610
221 H CYS 35 H CYS 35 -0.015 3.596 -0.875
222 HA CYS 35 HA CYS 35 -2.140 5.185 0.182
223 HB2 CYS 35 HB2 CYS 35 0.828 5.346 0.749
224 HB3 CYS 35 HB3 CYS 35 -0.440 6.155 1.650
225 H LEU 36 H LEU 36 -2.916 6.801 -0.838
226 HA LEU 36 HA LEU 36 -1.168 8.847 -1.940
227 HB2 LEU 36 HB2 LEU 36 -3.813 7.913 -3.083
228 HB3 LEU 36 HB3 LEU 36 -2.877 9.269 -3.658
229 HG LEU 36 HG LEU 36 -2.011 6.378 -3.809
230 HD11 LEU 36 HD11 LEU 36 -2.356 6.629 -6.218
231 HD12 LEU 36 HD12 LEU 36 -3.001 8.249 -5.958
232 HD13 LEU 36 HD13 LEU 36 -3.855 6.844 -5.320
233 HD21 LEU 36 HD21 LEU 36 -0.209 7.227 -5.229
234 HD22 LEU 36 HD22 LEU 36 -0.114 7.900 -3.603
235 HD23 LEU 36 HD23 LEU 36 -0.747 8.879 -4.930
236 H2 BGC 101 H2 BGC 101 8.392 3.974 0.379
237 H3 BGC 101 H3 BGC 101 6.189 1.895 0.481
238 H4 BGC 101 H4 BGC 101 9.044 1.939 1.540
239 H5 BGC 101 H5 BGC 101 6.287 1.889 2.896
240 H6C1 BGC 101 H61 BGC 101 9.096 2.009 4.061
241 H6C2 BGC 101 H62 BGC 101 7.933 0.678 4.286
242 H1 BGC 101 H1 BGC 101 5.655 3.915 1.695
243 HB BGC 101 HO2 BGC 101 6.701 5.131 -0.680
244 HC BGC 101 HO3 BGC 101 7.318 2.130 -1.496
245 HD BGC 101 HO4 BGC 101 8.458 -0.180 2.310
246 H6 BGC 101 HO6 BGC 101 7.548 3.392 5.086
Start of MODEL 7
1 H1 THR 1 H1 THR 1 3.770 0.877 8.846
2 H2 THR 1 H2 THR 1 3.980 1.943 10.163
3 H3 THR 1 H3 THR 1 5.142 1.845 8.952
4 HA THR 1 HA THR 1 2.401 2.759 8.493
5 HB THR 1 HB THR 1 4.919 4.425 8.696
6 HG1 THR 1 HG1 THR 1 4.640 4.370 10.801
7 HG21 THR 1 HG21 THR 1 1.972 5.144 8.803
8 HG22 THR 1 HG22 THR 1 3.038 5.403 7.424
9 HG23 THR 1 HG23 THR 1 3.313 6.281 8.929
10 H GLN 2 H GLN 2 2.065 3.314 6.335
11 HA GLN 2 HA GLN 2 4.120 2.345 4.499
12 HB2 GLN 2 HB2 GLN 2 1.852 1.315 4.419
13 HB3 GLN 2 HB3 GLN 2 1.189 2.880 3.994
14 HG2 GLN 2 HG2 GLN 2 1.458 1.449 2.036
15 HG3 GLN 2 HG3 GLN 2 2.447 2.905 1.938
16 HE21 GLN 2 HE21 GLN 2 2.462 -0.517 2.355
17 HE22 GLN 2 HE22 GLN 2 4.138 -0.753 2.074
18 H SER 3 H SER 3 5.203 3.722 3.282
19 HA SER 3 HA SER 3 4.813 6.482 3.486
20 HB2 SER 3 HB2 SER 3 6.733 6.677 1.987
21 HB3 SER 3 HB3 SER 3 7.058 5.503 3.241
22 H HIS 4 H HIS 4 4.711 7.924 1.558
23 HA HIS 4 HA HIS 4 2.261 7.588 0.210
24 HB2 HIS 4 HB2 HIS 4 3.505 9.771 0.780
25 HB3 HIS 4 HB3 HIS 4 4.502 9.448 -0.626
26 HD1 HIS 4 HD1 HIS 4 3.628 11.711 -1.661
27 HD2 HIS 4 HD2 HIS 4 0.678 8.870 -1.003
28 HE1 HIS 4 HE1 HIS 4 1.591 12.566 -2.849
29 HE2 HIS 4 HE2 HIS 4 -0.231 10.976 -2.154
30 H TYR 5 H TYR 5 1.776 6.640 -1.689
31 HA TYR 5 HA TYR 5 1.870 5.600 -3.589
32 HB2 TYR 5 HB2 TYR 5 4.740 6.522 -3.797
33 HB3 TYR 5 HB3 TYR 5 3.988 5.504 -5.008
34 HD1 TYR 5 HD1 TYR 5 3.910 8.858 -3.469
35 HD2 TYR 5 HD2 TYR 5 2.406 6.373 -6.563
36 HE1 TYR 5 HE1 TYR 5 2.947 10.819 -4.580
37 HE2 TYR 5 HE2 TYR 5 1.451 8.325 -7.683
38 HH TYR 5 HH TYR 5 2.271 11.451 -6.880
39 H GLY 6 H GLY 6 3.118 4.570 -0.886
40 HA2 GLY 6 HA2 GLY 6 4.250 2.090 -1.829
41 HA3 GLY 6 HA3 GLY 6 3.940 2.545 -0.156
42 H GLN 7 H GLN 7 3.297 0.020 -0.978
43 HA GLN 7 HA GLN 7 0.546 -0.057 -1.836
44 HB2 GLN 7 HB2 GLN 7 2.339 -1.713 -2.521
45 HB3 GLN 7 HB3 GLN 7 2.253 -2.356 -0.892
46 HG2 GLN 7 HG2 GLN 7 -0.129 -2.867 -1.255
47 HG3 GLN 7 HG3 GLN 7 0.026 -2.297 -2.913
48 HE21 GLN 7 HE21 GLN 7 -0.685 -4.999 -2.135
49 HE22 GLN 7 HE22 GLN 7 0.548 -6.012 -2.759
50 H CYS 8 H CYS 8 -0.922 0.449 -0.379
51 HA CYS 8 HA CYS 8 -0.380 0.287 2.459
52 HB2 CYS 8 HB2 CYS 8 -2.573 1.380 2.731
53 HB3 CYS 8 HB3 CYS 8 -1.465 2.245 1.668
54 H GLY 9 H GLY 9 -1.134 -2.133 0.685
55 HA2 GLY 9 HA2 GLY 9 -1.675 -4.173 1.882
56 HA3 GLY 9 HA3 GLY 9 -2.854 -3.244 2.790
57 H GLY 10 H GLY 10 -2.195 -4.967 -0.086
58 HA2 GLY 10 HA2 GLY 10 -4.985 -4.676 -0.952
59 HA3 GLY 10 HA3 GLY 10 -3.673 -5.409 -1.872
60 H ILE 11 H ILE 11 -5.403 -7.148 -1.997
61 HA ILE 11 HA ILE 11 -5.821 -8.806 0.241
62 HB ILE 11 HB ILE 11 -5.759 -9.540 -2.711
63 HG12 ILE 11 HG12 ILE 11 -8.107 -8.917 -0.903
64 HG13 ILE 11 HG13 ILE 11 -7.460 -7.852 -2.147
65 HG21 ILE 11 HG21 ILE 11 -6.894 -11.090 -0.385
66 HG22 ILE 11 HG22 ILE 11 -5.457 -11.518 -1.314
67 HG23 ILE 11 HG23 ILE 11 -7.045 -11.526 -2.086
68 HD11 ILE 11 HD11 ILE 11 -8.082 -9.467 -3.858
69 HD12 ILE 11 HD12 ILE 11 -9.479 -8.997 -2.885
70 HD13 ILE 11 HD13 ILE 11 -8.699 -10.553 -2.612
71 H GLY 12 H GLY 12 -4.396 -10.010 1.300
72 HA2 GLY 12 HA2 GLY 12 -2.730 -11.623 1.564
73 HA3 GLY 12 HA3 GLY 12 -2.277 -11.395 -0.118
74 H TYR 13 H TYR 13 -2.568 -8.457 1.522
75 HA TYR 13 HA TYR 13 0.342 -8.416 1.955
76 HB2 TYR 13 HB2 TYR 13 -0.501 -6.975 0.069
77 HB3 TYR 13 HB3 TYR 13 -1.427 -6.063 1.248
78 HD1 TYR 13 HD1 TYR 13 1.731 -6.482 -0.381
79 HD2 TYR 13 HD2 TYR 13 -0.087 -4.763 3.056
80 HE1 TYR 13 HE1 TYR 13 3.687 -5.018 -0.085
81 HE2 TYR 13 HE2 TYR 13 1.861 -3.297 3.359
82 HH TYR 13 HH TYR 13 4.162 -2.801 0.979
83 H SER 14 H SER 14 0.605 -8.632 4.118
84 HA SER 14 HA SER 14 -1.192 -7.108 5.849
85 HB2 SER 14 HB2 SER 14 -0.502 -8.785 7.600
86 HB3 SER 14 HB3 SER 14 -1.419 -9.455 6.250
87 HG SER 14 HG SER 14 0.162 -10.787 6.182
88 H GLY 15 H GLY 15 1.476 -6.444 4.450
89 HA2 GLY 15 HA2 GLY 15 3.264 -5.898 6.640
90 HA3 GLY 15 HA3 GLY 15 3.451 -5.364 4.974
91 HA PRO 16 HA PRO 16 2.538 -1.492 7.268
92 HB2 PRO 16 HB2 PRO 16 3.507 0.114 5.205
93 HB3 PRO 16 HB3 PRO 16 4.431 -0.418 6.609
94 HG2 PRO 16 HG2 PRO 16 4.442 -1.445 3.832
95 HG3 PRO 16 HG3 PRO 16 5.746 -1.418 5.027
96 HD2 PRO 16 HD2 PRO 16 4.335 -3.648 4.335
97 HD3 PRO 16 HD3 PRO 16 5.133 -3.438 5.906
98 H THR 17 H THR 17 0.397 -1.346 7.227
99 HA THR 17 HA THR 17 -1.036 -0.968 4.728
100 HB THR 17 HB THR 17 -2.979 -1.326 6.377
101 HG1 THR 17 HG1 THR 17 -2.387 -2.250 8.336
102 HG21 THR 17 HG21 THR 17 -0.958 -3.529 5.883
103 HG22 THR 17 HG22 THR 17 -2.214 -3.019 4.754
104 HG23 THR 17 HG23 THR 17 -2.657 -3.765 6.290
105 H VAL 18 H VAL 18 -0.656 0.439 7.937
106 HA VAL 18 HA VAL 18 -2.462 2.594 7.503
107 HB VAL 18 HB VAL 18 -0.280 2.332 9.596
108 HG11 VAL 18 HG11 VAL 18 -2.647 4.198 9.471
109 HG12 VAL 18 HG12 VAL 18 -0.942 4.637 9.345
110 HG13 VAL 18 HG13 VAL 18 -1.579 4.002 10.861
111 HG21 VAL 18 HG21 VAL 18 -2.087 1.624 11.098
112 HG22 VAL 18 HG22 VAL 18 -1.906 0.517 9.737
113 HG23 VAL 18 HG23 VAL 18 -3.226 1.684 9.754
114 H CYS 19 H CYS 19 -2.099 4.204 6.208
115 HA CYS 19 HA CYS 19 0.456 4.728 5.084
116 HB2 CYS 19 HB2 CYS 19 -2.133 6.262 4.831
117 HB3 CYS 19 HB3 CYS 19 -0.712 6.412 3.797
118 H ALA 20 H ALA 20 1.493 6.778 5.069
119 HA ALA 20 HA ALA 20 1.959 7.957 7.572
120 HB1 ALA 20 HB1 ALA 20 3.275 9.611 6.314
121 HB2 ALA 20 HB2 ALA 20 2.555 9.032 4.814
122 HB3 ALA 20 HB3 ALA 20 3.595 7.968 5.761
123 H SER 21 H SER 21 1.570 10.178 8.238
124 HA SER 21 HA SER 21 -1.105 10.945 8.149
125 HB2 SER 21 HB2 SER 21 1.268 12.686 8.810
126 HB3 SER 21 HB3 SER 21 -0.374 12.835 9.435
127 HG SER 21 HG SER 21 -0.091 10.855 10.526
128 H GLY 22 H GLY 22 -2.150 11.837 6.467
129 HA2 GLY 22 HA2 GLY 22 -2.422 13.782 5.074
130 HA3 GLY 22 HA3 GLY 22 -0.691 13.739 4.775
131 H THR 23 H THR 23 -1.403 10.606 4.702
132 HA THR 23 HA THR 23 -2.125 10.692 1.857
133 HB THR 23 HB THR 23 -0.793 8.652 1.506
134 HG1 THR 23 HG1 THR 23 -0.380 8.873 4.303
135 HG21 THR 23 HG21 THR 23 0.770 10.821 2.908
136 HG22 THR 23 HG22 THR 23 0.398 10.733 1.179
137 HG23 THR 23 HG23 THR 23 1.472 9.550 1.910
138 H THR 24 H THR 24 -3.544 9.079 1.107
139 HA THR 24 HA THR 24 -4.864 7.601 3.247
140 HB THR 24 HB THR 24 -6.971 7.929 1.723
141 HG1 THR 24 HG1 THR 24 -5.194 9.563 0.472
142 HG21 THR 24 HG21 THR 24 -6.769 8.731 4.033
143 HG22 THR 24 HG22 THR 24 -7.573 9.932 3.027
144 HG23 THR 24 HG23 THR 24 -5.879 10.145 3.468
145 H CYS 25 H CYS 25 -5.411 5.526 2.882
146 HA CYS 25 HA CYS 25 -4.041 4.154 0.810
147 HB2 CYS 25 HB2 CYS 25 -4.298 3.113 2.983
148 HB3 CYS 25 HB3 CYS 25 -6.054 3.146 2.834
149 H GLN 26 H GLN 26 -4.676 4.138 -1.208
150 HA GLN 26 HA GLN 26 -7.529 4.068 -1.823
151 HB2 GLN 26 HB2 GLN 26 -5.179 4.694 -3.619
152 HB3 GLN 26 HB3 GLN 26 -6.881 4.877 -4.012
153 HG2 GLN 26 HG2 GLN 26 -5.359 6.443 -1.942
154 HG3 GLN 26 HG3 GLN 26 -5.848 7.021 -3.535
155 HE21 GLN 26 HE21 GLN 26 -6.466 7.995 -0.880
156 HE22 GLN 26 HE22 GLN 26 -8.184 8.049 -0.773
157 H VAL 27 H VAL 27 -8.214 2.032 -2.249
158 HA VAL 27 HA VAL 27 -6.333 0.016 -3.075
159 HB VAL 27 HB VAL 27 -9.363 -0.159 -2.814
160 HG11 VAL 27 HG11 VAL 27 -8.466 -1.824 -4.370
161 HG12 VAL 27 HG12 VAL 27 -9.024 -2.597 -2.885
162 HG13 VAL 27 HG13 VAL 27 -7.299 -2.338 -3.157
163 HG21 VAL 27 HG21 VAL 27 -8.917 -1.359 -0.743
164 HG22 VAL 27 HG22 VAL 27 -8.220 0.265 -0.678
165 HG23 VAL 27 HG23 VAL 27 -7.186 -1.133 -0.973
166 H LEU 28 H LEU 28 -5.663 0.024 -5.031
167 HA LEU 28 HA LEU 28 -7.216 1.259 -7.156
168 HB2 LEU 28 HB2 LEU 28 -4.417 0.126 -7.134
169 HB3 LEU 28 HB3 LEU 28 -5.150 0.994 -8.468
170 HG LEU 28 HG LEU 28 -4.600 2.210 -5.753
171 HD11 LEU 28 HD11 LEU 28 -2.780 3.389 -6.884
172 HD12 LEU 28 HD12 LEU 28 -3.074 2.431 -8.339
173 HD13 LEU 28 HD13 LEU 28 -2.532 1.645 -6.857
174 HD21 LEU 28 HD21 LEU 28 -4.991 4.306 -6.903
175 HD22 LEU 28 HD22 LEU 28 -6.426 3.272 -6.980
176 HD23 LEU 28 HD23 LEU 28 -5.356 3.423 -8.386
177 H ASN 29 H ASN 29 -5.394 -1.725 -6.647
178 HA ASN 29 HA ASN 29 -7.176 -3.112 -8.535
179 HB2 ASN 29 HB2 ASN 29 -4.265 -3.745 -7.854
180 HB3 ASN 29 HB3 ASN 29 -5.285 -4.691 -8.908
181 HD21 ASN 29 HD21 ASN 29 -5.007 -1.189 -8.928
182 HD22 ASN 29 HD22 ASN 29 -4.255 -1.034 -10.456
183 HA PRO 30 HA PRO 30 -8.295 -5.810 -5.184
184 HB2 PRO 30 HB2 PRO 30 -6.969 -8.129 -6.520
185 HB3 PRO 30 HB3 PRO 30 -8.609 -8.004 -5.873
186 HG2 PRO 30 HG2 PRO 30 -8.231 -7.880 -8.486
187 HG3 PRO 30 HG3 PRO 30 -9.373 -6.770 -7.703
188 HD2 PRO 30 HD2 PRO 30 -6.600 -6.259 -8.683
189 HD3 PRO 30 HD3 PRO 30 -8.038 -5.218 -8.797
190 H TYR 31 H TYR 31 -4.952 -6.456 -6.291
191 HA TYR 31 HA TYR 31 -4.271 -7.031 -3.482
192 HB2 TYR 31 HB2 TYR 31 -2.555 -7.558 -5.932
193 HB3 TYR 31 HB3 TYR 31 -2.285 -8.128 -4.301
194 HD1 TYR 31 HD1 TYR 31 -3.351 -10.106 -3.486
195 HD2 TYR 31 HD2 TYR 31 -4.417 -8.539 -7.291
196 HE1 TYR 31 HE1 TYR 31 -4.562 -12.177 -4.005
197 HE2 TYR 31 HE2 TYR 31 -5.624 -10.596 -7.814
198 HH TYR 31 HH TYR 31 -5.610 -12.927 -7.132
199 H TYR 32 H TYR 32 -3.750 -4.816 -6.098
200 HA TYR 32 HA TYR 32 -1.619 -3.558 -4.591
201 HB2 TYR 32 HB2 TYR 32 -1.281 -3.866 -7.021
202 HB3 TYR 32 HB3 TYR 32 -2.617 -2.754 -7.326
203 HD1 TYR 32 HD1 TYR 32 0.572 -2.926 -5.429
204 HD2 TYR 32 HD2 TYR 32 -2.123 -0.493 -7.666
205 HE1 TYR 32 HE1 TYR 32 2.130 -1.046 -5.240
206 HE2 TYR 32 HE2 TYR 32 -0.561 1.396 -7.483
207 HH TYR 32 HH TYR 32 2.645 0.990 -6.433
208 H SER 33 H SER 33 -2.087 -2.161 -3.138
209 HA SER 33 HA SER 33 -4.211 -0.211 -3.615
210 HB2 SER 33 HB2 SER 33 -3.262 -1.360 -0.965
211 HB3 SER 33 HB3 SER 33 -4.595 -0.231 -1.197
212 HG SER 33 HG SER 33 -5.115 -2.553 -0.953
213 H GLN 34 H GLN 34 -3.522 1.955 -2.977
214 HA GLN 34 HA GLN 34 -0.669 2.139 -2.325
215 HB2 GLN 34 HB2 GLN 34 -0.752 2.302 -4.709
216 HB3 GLN 34 HB3 GLN 34 -2.065 3.464 -4.643
217 HG2 GLN 34 HG2 GLN 34 -0.587 5.112 -3.666
218 HG3 GLN 34 HG3 GLN 34 0.711 3.924 -3.618
219 HE21 GLN 34 HE21 GLN 34 1.829 3.477 -5.446
220 HE22 GLN 34 HE22 GLN 34 1.656 4.346 -6.911
221 H CYS 35 H CYS 35 -0.141 3.735 -0.942
222 HA CYS 35 HA CYS 35 -2.242 5.346 0.204
223 HB2 CYS 35 HB2 CYS 35 0.748 5.581 0.713
224 HB3 CYS 35 HB3 CYS 35 -0.546 6.316 1.622
225 H LEU 36 H LEU 36 -2.976 7.038 -0.748
226 HA LEU 36 HA LEU 36 -1.126 8.808 -2.106
227 HB2 LEU 36 HB2 LEU 36 -3.941 8.042 -2.862
228 HB3 LEU 36 HB3 LEU 36 -3.127 9.449 -3.514
229 HG LEU 36 HG LEU 36 -2.164 6.606 -3.849
230 HD11 LEU 36 HD11 LEU 36 -3.561 8.440 -5.786
231 HD12 LEU 36 HD12 LEU 36 -4.244 6.984 -5.057
232 HD13 LEU 36 HD13 LEU 36 -2.881 6.860 -6.168
233 HD21 LEU 36 HD21 LEU 36 -0.663 7.605 -5.512
234 HD22 LEU 36 HD22 LEU 36 -0.349 8.218 -3.896
235 HD23 LEU 36 HD23 LEU 36 -1.234 9.210 -5.059
236 H2 BGC 101 H2 BGC 101 8.419 2.737 0.514
237 H3 BGC 101 H3 BGC 101 6.022 0.939 0.903
238 H4 BGC 101 H4 BGC 101 8.845 0.894 2.068
239 H5 BGC 101 H5 BGC 101 6.086 1.392 3.333
240 H6C1 BGC 101 H61 BGC 101 8.932 1.434 4.429
241 H6C2 BGC 101 H62 BGC 101 7.609 0.356 4.922
242 H1 BGC 101 H1 BGC 101 5.639 3.109 1.690
243 HB BGC 101 HO2 BGC 101 6.901 3.784 -0.855
244 HC BGC 101 HO3 BGC 101 7.257 0.633 -1.036
245 HD BGC 101 HO4 BGC 101 7.916 -1.147 1.676
246 H6 BGC 101 HO6 BGC 101 6.438 2.277 5.637
Start of MODEL 8
1 H1 THR 1 H1 THR 1 5.223 2.428 9.882
2 H2 THR 1 H2 THR 1 6.195 2.962 8.601
3 H3 THR 1 H3 THR 1 5.312 1.544 8.434
4 HA THR 1 HA THR 1 3.274 2.789 8.542
5 HB THR 1 HB THR 1 5.090 5.211 8.655
6 HG1 THR 1 HG1 THR 1 3.826 5.091 10.913
7 HG21 THR 1 HG21 THR 1 3.005 6.388 9.229
8 HG22 THR 1 HG22 THR 1 2.110 4.874 9.109
9 HG23 THR 1 HG23 THR 1 2.849 5.576 7.672
10 H GLN 2 H GLN 2 2.485 2.954 6.478
11 HA GLN 2 HA GLN 2 4.368 2.620 4.367
12 HB2 GLN 2 HB2 GLN 2 2.173 1.427 4.495
13 HB3 GLN 2 HB3 GLN 2 1.374 2.961 4.182
14 HG2 GLN 2 HG2 GLN 2 1.562 1.596 2.173
15 HG3 GLN 2 HG3 GLN 2 2.456 3.113 2.022
16 HE21 GLN 2 HE21 GLN 2 2.703 -0.313 2.355
17 HE22 GLN 2 HE22 GLN 2 4.374 -0.436 1.960
18 H SER 3 H SER 3 5.215 4.104 3.151
19 HA SER 3 HA SER 3 4.547 6.827 3.546
20 HB2 SER 3 HB2 SER 3 6.498 7.318 2.256
21 HB3 SER 3 HB3 SER 3 6.894 5.981 3.310
22 H HIS 4 H HIS 4 4.724 8.170 1.310
23 HA HIS 4 HA HIS 4 2.196 7.754 0.076
24 HB2 HIS 4 HB2 HIS 4 3.552 9.960 0.504
25 HB3 HIS 4 HB3 HIS 4 4.365 9.553 -1.000
26 HD1 HIS 4 HD1 HIS 4 3.143 12.064 -1.464
27 HD2 HIS 4 HD2 HIS 4 0.755 8.678 -1.412
28 HE1 HIS 4 HE1 HIS 4 0.972 12.766 -2.461
29 HE2 HIS 4 HE2 HIS 4 -0.502 10.845 -1.827
30 H TYR 5 H TYR 5 1.754 6.658 -1.764
31 HA TYR 5 HA TYR 5 1.911 5.637 -3.705
32 HB2 TYR 5 HB2 TYR 5 4.862 6.338 -3.781
33 HB3 TYR 5 HB3 TYR 5 4.003 5.522 -5.077
34 HD1 TYR 5 HD1 TYR 5 4.807 8.694 -3.561
35 HD2 TYR 5 HD2 TYR 5 2.166 6.776 -6.283
36 HE1 TYR 5 HE1 TYR 5 4.219 10.871 -4.509
37 HE2 TYR 5 HE2 TYR 5 1.567 8.958 -7.248
38 HH TYR 5 HH TYR 5 3.362 11.757 -6.597
39 H GLY 6 H GLY 6 3.118 4.590 -0.905
40 HA2 GLY 6 HA2 GLY 6 4.239 2.085 -1.821
41 HA3 GLY 6 HA3 GLY 6 3.923 2.560 -0.160
42 H GLN 7 H GLN 7 3.323 -0.006 -1.066
43 HA GLN 7 HA GLN 7 0.533 -0.139 -1.773
44 HB2 GLN 7 HB2 GLN 7 2.291 -1.821 -2.529
45 HB3 GLN 7 HB3 GLN 7 2.301 -2.419 -0.877
46 HG2 GLN 7 HG2 GLN 7 -0.075 -3.010 -1.083
47 HG3 GLN 7 HG3 GLN 7 -0.068 -2.433 -2.748
48 HE21 GLN 7 HE21 GLN 7 -0.712 -5.126 -1.916
49 HE22 GLN 7 HE22 GLN 7 0.481 -6.126 -2.612
50 H CYS 8 H CYS 8 -0.919 0.293 -0.296
51 HA CYS 8 HA CYS 8 -0.289 0.059 2.519
52 HB2 CYS 8 HB2 CYS 8 -2.454 1.193 2.844
53 HB3 CYS 8 HB3 CYS 8 -1.313 2.084 1.845
54 H GLY 9 H GLY 9 -1.068 -2.317 0.710
55 HA2 GLY 9 HA2 GLY 9 -1.704 -4.376 1.932
56 HA3 GLY 9 HA3 GLY 9 -2.886 -3.392 2.765
57 H GLY 10 H GLY 10 -2.153 -5.193 -0.038
58 HA2 GLY 10 HA2 GLY 10 -4.902 -4.857 -0.972
59 HA3 GLY 10 HA3 GLY 10 -3.585 -5.618 -1.869
60 H ILE 11 H ILE 11 -5.337 -7.283 -2.044
61 HA ILE 11 HA ILE 11 -6.048 -8.932 0.108
62 HB ILE 11 HB ILE 11 -5.661 -9.666 -2.822
63 HG12 ILE 11 HG12 ILE 11 -8.179 -8.857 -1.349
64 HG13 ILE 11 HG13 ILE 11 -7.267 -7.824 -2.445
65 HG21 ILE 11 HG21 ILE 11 -5.715 -11.646 -1.429
66 HG22 ILE 11 HG22 ILE 11 -7.194 -11.525 -2.385
67 HG23 ILE 11 HG23 ILE 11 -7.214 -11.103 -0.673
68 HD11 ILE 11 HD11 ILE 11 -7.766 -9.335 -4.290
69 HD12 ILE 11 HD12 ILE 11 -9.248 -8.767 -3.514
70 HD13 ILE 11 HD13 ILE 11 -8.650 -10.393 -3.192
71 H GLY 12 H GLY 12 -4.617 -9.929 1.426
72 HA2 GLY 12 HA2 GLY 12 -3.101 -11.639 1.874
73 HA3 GLY 12 HA3 GLY 12 -2.535 -11.552 0.218
74 H TYR 13 H TYR 13 -2.577 -8.413 1.355
75 HA TYR 13 HA TYR 13 0.215 -8.710 2.236
76 HB2 TYR 13 HB2 TYR 13 -0.064 -7.433 0.092
77 HB3 TYR 13 HB3 TYR 13 -0.985 -6.220 0.979
78 HD1 TYR 13 HD1 TYR 13 0.185 -4.480 2.191
79 HD2 TYR 13 HD2 TYR 13 2.333 -7.826 0.664
80 HE1 TYR 13 HE1 TYR 13 2.283 -3.356 2.723
81 HE2 TYR 13 HE2 TYR 13 4.454 -6.704 1.195
82 HH TYR 13 HH TYR 13 5.317 -4.496 1.568
83 H SER 14 H SER 14 0.221 -8.729 4.349
84 HA SER 14 HA SER 14 -1.433 -6.838 5.823
85 HB2 SER 14 HB2 SER 14 -0.743 -8.524 7.674
86 HB3 SER 14 HB3 SER 14 -1.975 -8.988 6.497
87 HG SER 14 HG SER 14 0.344 -10.146 7.007
88 H GLY 15 H GLY 15 1.166 -6.220 4.538
89 HA2 GLY 15 HA2 GLY 15 3.104 -5.968 6.686
90 HA3 GLY 15 HA3 GLY 15 3.263 -5.357 5.041
91 HA PRO 16 HA PRO 16 2.516 -1.574 7.475
92 HB2 PRO 16 HB2 PRO 16 3.640 0.117 5.614
93 HB3 PRO 16 HB3 PRO 16 4.548 -0.660 6.912
94 HG2 PRO 16 HG2 PRO 16 4.328 -1.413 4.040
95 HG3 PRO 16 HG3 PRO 16 5.728 -1.499 5.118
96 HD2 PRO 16 HD2 PRO 16 4.239 -3.653 4.430
97 HD3 PRO 16 HD3 PRO 16 5.091 -3.532 5.979
98 H THR 17 H THR 17 0.339 -1.604 7.221
99 HA THR 17 HA THR 17 -0.777 -0.907 4.638
100 HB THR 17 HB THR 17 -2.881 -1.794 5.731
101 HG1 THR 17 HG1 THR 17 -2.253 -3.215 7.587
102 HG21 THR 17 HG21 THR 17 -2.190 -4.138 5.457
103 HG22 THR 17 HG22 THR 17 -0.501 -3.657 5.589
104 HG23 THR 17 HG23 THR 17 -1.450 -3.137 4.205
105 H VAL 18 H VAL 18 0.028 0.507 7.532
106 HA VAL 18 HA VAL 18 -2.230 2.331 7.544
107 HB VAL 18 HB VAL 18 0.149 2.203 9.423
108 HG11 VAL 18 HG11 VAL 18 -2.470 3.687 9.635
109 HG12 VAL 18 HG12 VAL 18 -0.867 4.395 9.400
110 HG13 VAL 18 HG13 VAL 18 -1.256 3.562 10.907
111 HG21 VAL 18 HG21 VAL 18 -1.389 1.149 11.031
112 HG22 VAL 18 HG22 VAL 18 -1.166 0.160 9.587
113 HG23 VAL 18 HG23 VAL 18 -2.640 1.103 9.788
114 H CYS 19 H CYS 19 -2.079 4.137 6.400
115 HA CYS 19 HA CYS 19 0.395 4.789 5.109
116 HB2 CYS 19 HB2 CYS 19 -2.284 6.191 4.981
117 HB3 CYS 19 HB3 CYS 19 -0.913 6.446 3.901
118 H ALA 20 H ALA 20 1.470 6.728 5.229
119 HA ALA 20 HA ALA 20 1.801 7.893 7.744
120 HB1 ALA 20 HB1 ALA 20 2.568 8.999 5.043
121 HB2 ALA 20 HB2 ALA 20 3.536 7.892 6.018
122 HB3 ALA 20 HB3 ALA 20 3.212 9.527 6.596
123 H SER 21 H SER 21 1.316 9.982 8.456
124 HA SER 21 HA SER 21 -1.333 10.764 8.150
125 HB2 SER 21 HB2 SER 21 1.005 12.346 9.224
126 HB3 SER 21 HB3 SER 21 -0.702 12.708 9.505
127 HG SER 21 HG SER 21 0.321 10.167 10.134
128 H GLY 22 H GLY 22 -2.229 11.646 6.430
129 HA2 GLY 22 HA2 GLY 22 -2.381 13.762 5.185
130 HA3 GLY 22 HA3 GLY 22 -0.654 13.602 4.889
131 H THR 23 H THR 23 -1.459 10.569 4.685
132 HA THR 23 HA THR 23 -2.337 10.774 1.893
133 HB THR 23 HB THR 23 -0.980 8.758 1.391
134 HG1 THR 23 HG1 THR 23 -0.376 8.962 4.161
135 HG21 THR 23 HG21 THR 23 0.022 10.955 1.017
136 HG22 THR 23 HG22 THR 23 1.247 9.796 1.531
137 HG23 THR 23 HG23 THR 23 0.612 10.980 2.676
138 H THR 24 H THR 24 -3.594 8.923 1.132
139 HA THR 24 HA THR 24 -4.834 7.476 3.341
140 HB THR 24 HB THR 24 -6.964 7.671 1.819
141 HG1 THR 24 HG1 THR 24 -5.317 9.138 0.401
142 HG21 THR 24 HG21 THR 24 -5.936 9.966 3.498
143 HG22 THR 24 HG22 THR 24 -6.795 8.547 4.101
144 HG23 THR 24 HG23 THR 24 -7.621 9.703 3.055
145 H CYS 25 H CYS 25 -5.415 5.363 2.958
146 HA CYS 25 HA CYS 25 -4.010 4.015 0.883
147 HB2 CYS 25 HB2 CYS 25 -4.346 2.993 3.105
148 HB3 CYS 25 HB3 CYS 25 -6.081 2.958 2.827
149 H GLN 26 H GLN 26 -4.657 3.934 -1.143
150 HA GLN 26 HA GLN 26 -7.517 3.991 -1.743
151 HB2 GLN 26 HB2 GLN 26 -5.171 4.700 -3.497
152 HB3 GLN 26 HB3 GLN 26 -6.867 5.007 -3.818
153 HG2 GLN 26 HG2 GLN 26 -5.288 6.263 -1.579
154 HG3 GLN 26 HG3 GLN 26 -5.598 6.993 -3.149
155 HE21 GLN 26 HE21 GLN 26 -6.451 8.679 -1.960
156 HE22 GLN 26 HE22 GLN 26 -8.093 8.655 -1.393
157 H VAL 27 H VAL 27 -8.258 2.186 -2.765
158 HA VAL 27 HA VAL 27 -6.306 0.098 -3.301
159 HB VAL 27 HB VAL 27 -9.328 -0.112 -3.396
160 HG11 VAL 27 HG11 VAL 27 -7.168 -2.199 -3.210
161 HG12 VAL 27 HG12 VAL 27 -8.221 -1.889 -4.594
162 HG13 VAL 27 HG13 VAL 27 -8.896 -2.512 -3.086
163 HG21 VAL 27 HG21 VAL 27 -9.188 -1.105 -1.157
164 HG22 VAL 27 HG22 VAL 27 -8.644 0.572 -1.168
165 HG23 VAL 27 HG23 VAL 27 -7.462 -0.738 -1.112
166 H LEU 28 H LEU 28 -5.432 0.273 -5.238
167 HA LEU 28 HA LEU 28 -6.883 1.493 -7.445
168 HB2 LEU 28 HB2 LEU 28 -4.114 0.317 -7.464
169 HB3 LEU 28 HB3 LEU 28 -4.806 1.393 -8.652
170 HG LEU 28 HG LEU 28 -3.989 2.079 -5.835
171 HD11 LEU 28 HD11 LEU 28 -2.989 3.033 -8.501
172 HD12 LEU 28 HD12 LEU 28 -2.215 1.837 -7.481
173 HD13 LEU 28 HD13 LEU 28 -2.364 3.507 -6.916
174 HD21 LEU 28 HD21 LEU 28 -4.612 4.372 -6.392
175 HD22 LEU 28 HD22 LEU 28 -6.009 3.288 -6.373
176 HD23 LEU 28 HD23 LEU 28 -5.308 3.803 -7.914
177 H ASN 29 H ASN 29 -5.621 -1.603 -6.495
178 HA ASN 29 HA ASN 29 -7.102 -2.888 -8.645
179 HB2 ASN 29 HB2 ASN 29 -4.241 -3.603 -7.841
180 HB3 ASN 29 HB3 ASN 29 -5.238 -4.446 -9.008
181 HD21 ASN 29 HD21 ASN 29 -3.339 -1.609 -8.420
182 HD22 ASN 29 HD22 ASN 29 -3.185 -1.092 -10.041
183 HA PRO 30 HA PRO 30 -8.419 -5.541 -5.321
184 HB2 PRO 30 HB2 PRO 30 -7.212 -7.909 -6.671
185 HB3 PRO 30 HB3 PRO 30 -8.858 -7.675 -6.072
186 HG2 PRO 30 HG2 PRO 30 -8.374 -7.558 -8.673
187 HG3 PRO 30 HG3 PRO 30 -9.495 -6.411 -7.917
188 HD2 PRO 30 HD2 PRO 30 -6.669 -5.992 -8.799
189 HD3 PRO 30 HD3 PRO 30 -8.054 -4.891 -8.928
190 H TYR 31 H TYR 31 -5.166 -6.510 -6.458
191 HA TYR 31 HA TYR 31 -4.485 -7.077 -3.665
192 HB2 TYR 31 HB2 TYR 31 -2.948 -7.705 -6.208
193 HB3 TYR 31 HB3 TYR 31 -2.388 -8.066 -4.592
194 HD1 TYR 31 HD1 TYR 31 -5.327 -8.754 -6.825
195 HD2 TYR 31 HD2 TYR 31 -2.788 -10.159 -3.730
196 HE1 TYR 31 HE1 TYR 31 -6.443 -10.946 -6.915
197 HE2 TYR 31 HE2 TYR 31 -3.886 -12.353 -3.804
198 HH TYR 31 HH TYR 31 -5.919 -13.261 -6.341
199 H TYR 32 H TYR 32 -3.852 -4.761 -6.176
200 HA TYR 32 HA TYR 32 -1.701 -3.695 -4.538
201 HB2 TYR 32 HB2 TYR 32 -1.268 -3.911 -6.963
202 HB3 TYR 32 HB3 TYR 32 -2.542 -2.741 -7.273
203 HD1 TYR 32 HD1 TYR 32 -2.060 -0.427 -7.271
204 HD2 TYR 32 HD2 TYR 32 0.706 -3.161 -5.536
205 HE1 TYR 32 HE1 TYR 32 -0.414 1.382 -7.030
206 HE2 TYR 32 HE2 TYR 32 2.346 -1.352 -5.299
207 HH TYR 32 HH TYR 32 1.463 1.938 -5.868
208 H SER 33 H SER 33 -2.197 -2.373 -3.010
209 HA SER 33 HA SER 33 -4.228 -0.309 -3.477
210 HB2 SER 33 HB2 SER 33 -3.235 -1.445 -0.838
211 HB3 SER 33 HB3 SER 33 -4.561 -0.303 -1.052
212 HG SER 33 HG SER 33 -4.844 -2.756 -0.804
213 H GLN 34 H GLN 34 -3.504 1.845 -2.826
214 HA GLN 34 HA GLN 34 -0.668 2.056 -2.170
215 HB2 GLN 34 HB2 GLN 34 -0.586 2.104 -4.530
216 HB3 GLN 34 HB3 GLN 34 -2.000 3.132 -4.636
217 HG2 GLN 34 HG2 GLN 34 -0.760 5.016 -3.835
218 HG3 GLN 34 HG3 GLN 34 0.638 3.990 -3.497
219 HE21 GLN 34 HE21 GLN 34 2.018 3.461 -5.133
220 HE22 GLN 34 HE22 GLN 34 1.820 4.057 -6.744
221 H CYS 35 H CYS 35 -0.208 3.731 -0.842
222 HA CYS 35 HA CYS 35 -2.398 5.345 0.099
223 HB2 CYS 35 HB2 CYS 35 0.527 5.750 0.776
224 HB3 CYS 35 HB3 CYS 35 -0.897 6.366 1.597
225 H LEU 36 H LEU 36 -3.066 7.046 -0.877
226 HA LEU 36 HA LEU 36 -1.181 8.753 -2.300
227 HB2 LEU 36 HB2 LEU 36 -4.061 8.164 -2.996
228 HB3 LEU 36 HB3 LEU 36 -3.097 9.409 -3.751
229 HG LEU 36 HG LEU 36 -2.492 6.449 -3.906
230 HD11 LEU 36 HD11 LEU 36 -3.661 8.309 -5.964
231 HD12 LEU 36 HD12 LEU 36 -4.525 7.020 -5.128
232 HD13 LEU 36 HD13 LEU 36 -3.205 6.626 -6.229
233 HD21 LEU 36 HD21 LEU 36 -0.884 7.121 -5.622
234 HD22 LEU 36 HD22 LEU 36 -0.492 7.835 -4.062
235 HD23 LEU 36 HD23 LEU 36 -1.251 8.818 -5.315
236 H2 BGC 101 H2 BGC 101 8.311 3.833 0.015
237 H3 BGC 101 H3 BGC 101 6.147 1.720 0.327
238 H4 BGC 101 H4 BGC 101 9.048 1.907 1.211
239 H5 BGC 101 H5 BGC 101 6.412 1.821 2.795
240 H6C1 BGC 101 H61 BGC 101 9.332 2.111 3.580
241 H6C2 BGC 101 H62 BGC 101 8.289 0.732 3.993
242 H1 BGC 101 H1 BGC 101 5.633 3.802 1.465
243 HB BGC 101 HO2 BGC 101 6.935 3.551 -1.794
244 HC BGC 101 HO3 BGC 101 7.677 0.503 -0.926
245 HD BGC 101 HO4 BGC 101 7.094 -0.177 1.472
246 H6 BGC 101 HO6 BGC 101 7.606 3.425 4.713
Start of MODEL 9
1 H1 THR 1 H1 THR 1 5.344 2.492 8.925
2 H2 THR 1 H2 THR 1 4.364 1.251 8.406
3 H3 THR 1 H3 THR 1 4.128 1.952 9.950
4 HA THR 1 HA THR 1 2.482 2.747 8.412
5 HB THR 1 HB THR 1 4.551 4.814 9.223
6 HG1 THR 1 HG1 THR 1 3.154 4.781 11.180
7 HG21 THR 1 HG21 THR 1 1.537 4.976 8.983
8 HG22 THR 1 HG22 THR 1 2.689 5.694 7.858
9 HG23 THR 1 HG23 THR 1 2.602 6.276 9.522
10 H GLN 2 H GLN 2 2.119 2.761 6.328
11 HA GLN 2 HA GLN 2 4.242 2.561 4.485
12 HB2 GLN 2 HB2 GLN 2 2.124 1.292 4.320
13 HB3 GLN 2 HB3 GLN 2 1.281 2.789 3.963
14 HG2 GLN 2 HG2 GLN 2 1.734 1.487 1.953
15 HG3 GLN 2 HG3 GLN 2 2.550 3.050 1.923
16 HE21 GLN 2 HE21 GLN 2 2.975 -0.372 2.141
17 HE22 GLN 2 HE22 GLN 2 4.675 -0.380 1.896
18 H SER 3 H SER 3 5.176 4.067 3.321
19 HA SER 3 HA SER 3 4.491 6.789 3.596
20 HB2 SER 3 HB2 SER 3 6.475 7.227 2.290
21 HB3 SER 3 HB3 SER 3 6.826 5.973 3.465
22 H HIS 4 H HIS 4 4.550 8.210 1.585
23 HA HIS 4 HA HIS 4 2.241 7.802 0.067
24 HB2 HIS 4 HB2 HIS 4 3.481 9.979 0.629
25 HB3 HIS 4 HB3 HIS 4 4.549 9.587 -0.710
26 HD1 HIS 4 HD1 HIS 4 3.738 11.807 -1.832
27 HD2 HIS 4 HD2 HIS 4 0.777 8.957 -1.276
28 HE1 HIS 4 HE1 HIS 4 1.718 12.667 -3.073
29 HE2 HIS 4 HE2 HIS 4 0.065 10.831 -2.957
30 H TYR 5 H TYR 5 1.867 6.798 -1.800
31 HA TYR 5 HA TYR 5 2.069 5.724 -3.717
32 HB2 TYR 5 HB2 TYR 5 4.963 6.589 -3.707
33 HB3 TYR 5 HB3 TYR 5 4.278 5.586 -4.977
34 HD1 TYR 5 HD1 TYR 5 2.680 6.528 -6.562
35 HD2 TYR 5 HD2 TYR 5 4.430 8.937 -3.535
36 HE1 TYR 5 HE1 TYR 5 1.975 8.546 -7.769
37 HE2 TYR 5 HE2 TYR 5 3.717 10.959 -4.727
38 HH TYR 5 HH TYR 5 1.519 10.829 -7.338
39 H GLY 6 H GLY 6 3.257 4.743 -0.902
40 HA2 GLY 6 HA2 GLY 6 4.435 2.287 -1.798
41 HA3 GLY 6 HA3 GLY 6 4.079 2.744 -0.136
42 H GLN 7 H GLN 7 3.538 0.191 -1.231
43 HA GLN 7 HA GLN 7 0.705 0.122 -1.761
44 HB2 GLN 7 HB2 GLN 7 2.228 -1.490 -2.881
45 HB3 GLN 7 HB3 GLN 7 2.622 -2.176 -1.310
46 HG2 GLN 7 HG2 GLN 7 0.230 -2.777 -1.003
47 HG3 GLN 7 HG3 GLN 7 -0.089 -2.132 -2.597
48 HE21 GLN 7 HE21 GLN 7 -0.450 -4.838 -1.622
49 HE22 GLN 7 HE22 GLN 7 0.449 -5.843 -2.682
50 H CYS 8 H CYS 8 -0.552 0.526 -0.113
51 HA CYS 8 HA CYS 8 0.186 0.085 2.583
52 HB2 CYS 8 HB2 CYS 8 -2.317 0.615 2.951
53 HB3 CYS 8 HB3 CYS 8 -1.257 1.869 2.314
54 H GLY 9 H GLY 9 -1.967 -1.692 0.406
55 HA2 GLY 9 HA2 GLY 9 -1.474 -4.126 1.391
56 HA3 GLY 9 HA3 GLY 9 -2.570 -3.466 2.589
57 H GLY 10 H GLY 10 -2.239 -4.946 -0.402
58 HA2 GLY 10 HA2 GLY 10 -5.104 -4.747 -0.903
59 HA3 GLY 10 HA3 GLY 10 -3.896 -5.401 -2.011
60 H ILE 11 H ILE 11 -5.590 -7.179 -1.942
61 HA ILE 11 HA ILE 11 -5.775 -8.912 0.255
62 HB ILE 11 HB ILE 11 -5.908 -9.614 -2.700
63 HG12 ILE 11 HG12 ILE 11 -8.157 -8.958 -0.780
64 HG13 ILE 11 HG13 ILE 11 -7.504 -7.841 -1.967
65 HG21 ILE 11 HG21 ILE 11 -5.601 -11.602 -1.310
66 HG22 ILE 11 HG22 ILE 11 -7.237 -11.556 -1.970
67 HG23 ILE 11 HG23 ILE 11 -6.954 -11.114 -0.288
68 HD11 ILE 11 HD11 ILE 11 -8.843 -10.460 -2.571
69 HD12 ILE 11 HD12 ILE 11 -8.223 -9.317 -3.762
70 HD13 ILE 11 HD13 ILE 11 -9.579 -8.862 -2.726
71 H GLY 12 H GLY 12 -4.124 -9.881 1.231
72 HA2 GLY 12 HA2 GLY 12 -2.515 -11.654 1.216
73 HA3 GLY 12 HA3 GLY 12 -2.094 -11.209 -0.431
74 H TYR 13 H TYR 13 -2.414 -8.403 1.300
75 HA TYR 13 HA TYR 13 0.451 -8.417 1.969
76 HB2 TYR 13 HB2 TYR 13 -0.231 -6.930 0.044
77 HB3 TYR 13 HB3 TYR 13 -1.243 -6.040 1.169
78 HD1 TYR 13 HD1 TYR 13 -0.092 -4.761 3.059
79 HD2 TYR 13 HD2 TYR 13 2.076 -6.485 -0.169
80 HE1 TYR 13 HE1 TYR 13 1.812 -3.313 3.578
81 HE2 TYR 13 HE2 TYR 13 3.995 -5.040 0.346
82 HH TYR 13 HH TYR 13 4.328 -2.824 1.449
83 H SER 14 H SER 14 0.868 -8.145 4.089
84 HA SER 14 HA SER 14 -1.230 -6.995 5.788
85 HB2 SER 14 HB2 SER 14 -0.543 -8.781 7.436
86 HB3 SER 14 HB3 SER 14 -1.416 -9.349 6.008
87 HG SER 14 HG SER 14 0.759 -10.327 6.823
88 H GLY 15 H GLY 15 1.367 -5.958 4.682
89 HA2 GLY 15 HA2 GLY 15 3.091 -5.776 7.021
90 HA3 GLY 15 HA3 GLY 15 3.426 -5.118 5.427
91 HA PRO 16 HA PRO 16 2.353 -1.369 7.673
92 HB2 PRO 16 HB2 PRO 16 3.328 0.352 5.792
93 HB3 PRO 16 HB3 PRO 16 4.327 -0.410 7.032
94 HG2 PRO 16 HG2 PRO 16 3.983 -1.155 4.165
95 HG3 PRO 16 HG3 PRO 16 5.449 -1.154 5.155
96 HD2 PRO 16 HD2 PRO 16 4.042 -3.414 4.583
97 HD3 PRO 16 HD3 PRO 16 4.982 -3.205 6.073
98 H THR 17 H THR 17 0.190 -1.597 7.458
99 HA THR 17 HA THR 17 -1.130 -1.199 4.926
100 HB THR 17 HB THR 17 -3.175 -1.692 6.362
101 HG1 THR 17 HG1 THR 17 -1.726 -2.919 8.304
102 HG21 THR 17 HG21 THR 17 -0.947 -3.745 6.279
103 HG22 THR 17 HG22 THR 17 -2.086 -3.420 4.976
104 HG23 THR 17 HG23 THR 17 -2.658 -4.107 6.497
105 H VAL 18 H VAL 18 -0.715 0.332 7.999
106 HA VAL 18 HA VAL 18 -2.593 2.424 7.436
107 HB VAL 18 HB VAL 18 -0.508 2.287 9.638
108 HG11 VAL 18 HG11 VAL 18 -1.282 4.554 9.229
109 HG12 VAL 18 HG12 VAL 18 -1.915 3.954 10.762
110 HG13 VAL 18 HG13 VAL 18 -2.959 4.023 9.345
111 HG21 VAL 18 HG21 VAL 18 -3.432 1.539 9.704
112 HG22 VAL 18 HG22 VAL 18 -2.345 1.559 11.091
113 HG23 VAL 18 HG23 VAL 18 -2.078 0.415 9.774
114 H CYS 19 H CYS 19 -2.181 4.002 6.169
115 HA CYS 19 HA CYS 19 0.399 4.571 5.083
116 HB2 CYS 19 HB2 CYS 19 -2.204 6.074 4.846
117 HB3 CYS 19 HB3 CYS 19 -0.784 6.264 3.820
118 H ALA 20 H ALA 20 1.466 6.587 5.202
119 HA ALA 20 HA ALA 20 1.638 7.694 7.796
120 HB1 ALA 20 HB1 ALA 20 2.752 8.729 5.185
121 HB2 ALA 20 HB2 ALA 20 3.559 7.615 6.288
122 HB3 ALA 20 HB3 ALA 20 3.230 9.271 6.793
123 H SER 21 H SER 21 1.253 9.882 8.409
124 HA SER 21 HA SER 21 -1.320 10.768 7.942
125 HB2 SER 21 HB2 SER 21 1.030 12.390 8.912
126 HB3 SER 21 HB3 SER 21 -0.674 12.693 9.249
127 HG SER 21 HG SER 21 1.073 11.016 10.470
128 H GLY 22 H GLY 22 -2.132 11.585 6.135
129 HA2 GLY 22 HA2 GLY 22 -2.120 13.611 4.737
130 HA3 GLY 22 HA3 GLY 22 -0.414 13.278 4.461
131 H THR 23 H THR 23 -1.260 10.322 4.492
132 HA THR 23 HA THR 23 -2.110 10.328 1.689
133 HB THR 23 HB THR 23 -0.875 8.233 1.399
134 HG1 THR 23 HG1 THR 23 -0.250 8.672 4.143
135 HG21 THR 23 HG21 THR 23 0.742 10.507 2.503
136 HG22 THR 23 HG22 THR 23 0.255 10.261 0.819
137 HG23 THR 23 HG23 THR 23 1.408 9.167 1.577
138 H THR 24 H THR 24 -3.611 8.777 1.036
139 HA THR 24 HA THR 24 -4.918 7.279 3.182
140 HB THR 24 HB THR 24 -6.983 7.448 1.690
141 HG1 THR 24 HG1 THR 24 -5.239 9.088 0.231
142 HG21 THR 24 HG21 THR 24 -7.607 9.691 2.530
143 HG22 THR 24 HG22 THR 24 -5.921 9.976 2.970
144 HG23 THR 24 HG23 THR 24 -6.841 8.699 3.767
145 H CYS 25 H CYS 25 -5.356 5.152 2.789
146 HA CYS 25 HA CYS 25 -3.822 3.901 0.763
147 HB2 CYS 25 HB2 CYS 25 -4.168 2.832 2.952
148 HB3 CYS 25 HB3 CYS 25 -5.898 2.736 2.647
149 H GLN 26 H GLN 26 -4.449 4.214 -1.268
150 HA GLN 26 HA GLN 26 -7.244 4.170 -1.999
151 HB2 GLN 26 HB2 GLN 26 -4.736 4.678 -3.601
152 HB3 GLN 26 HB3 GLN 26 -6.374 4.799 -4.230
153 HG2 GLN 26 HG2 GLN 26 -5.289 6.442 -1.962
154 HG3 GLN 26 HG3 GLN 26 -5.378 6.968 -3.643
155 HE21 GLN 26 HE21 GLN 26 -6.660 7.956 -1.178
156 HE22 GLN 26 HE22 GLN 26 -8.334 7.982 -1.558
157 H VAL 27 H VAL 27 -8.118 2.296 -2.445
158 HA VAL 27 HA VAL 27 -6.479 0.039 -3.165
159 HB VAL 27 HB VAL 27 -9.514 0.216 -3.105
160 HG11 VAL 27 HG11 VAL 27 -9.422 -2.236 -2.914
161 HG12 VAL 27 HG12 VAL 27 -7.665 -2.164 -3.039
162 HG13 VAL 27 HG13 VAL 27 -8.660 -1.665 -4.400
163 HG21 VAL 27 HG21 VAL 27 -8.615 0.750 -0.899
164 HG22 VAL 27 HG22 VAL 27 -7.629 -0.713 -0.929
165 HG23 VAL 27 HG23 VAL 27 -9.388 -0.835 -0.882
166 H LEU 28 H LEU 28 -5.667 0.221 -5.095
167 HA LEU 28 HA LEU 28 -7.114 1.476 -7.265
168 HB2 LEU 28 HB2 LEU 28 -4.391 0.173 -7.204
169 HB3 LEU 28 HB3 LEU 28 -5.045 1.085 -8.548
170 HG LEU 28 HG LEU 28 -4.420 2.236 -5.817
171 HD11 LEU 28 HD11 LEU 28 -2.599 3.383 -6.967
172 HD12 LEU 28 HD12 LEU 28 -2.972 2.490 -8.442
173 HD13 LEU 28 HD13 LEU 28 -2.412 1.632 -6.999
174 HD21 LEU 28 HD21 LEU 28 -5.224 3.541 -8.386
175 HD22 LEU 28 HD22 LEU 28 -4.762 4.379 -6.900
176 HD23 LEU 28 HD23 LEU 28 -6.240 3.402 -6.947
177 H ASN 29 H ASN 29 -5.886 -1.638 -6.331
178 HA ASN 29 HA ASN 29 -7.634 -2.982 -8.224
179 HB2 ASN 29 HB2 ASN 29 -4.673 -3.600 -7.773
180 HB3 ASN 29 HB3 ASN 29 -5.806 -4.585 -8.683
181 HD21 ASN 29 HD21 ASN 29 -3.951 -1.667 -8.679
182 HD22 ASN 29 HD22 ASN 29 -4.120 -1.304 -10.354
183 HA PRO 30 HA PRO 30 -8.569 -5.397 -4.634
184 HB2 PRO 30 HB2 PRO 30 -7.731 -7.919 -5.958
185 HB3 PRO 30 HB3 PRO 30 -9.287 -7.490 -5.249
186 HG2 PRO 30 HG2 PRO 30 -8.953 -7.589 -7.896
187 HG3 PRO 30 HG3 PRO 30 -9.996 -6.370 -7.139
188 HD2 PRO 30 HD2 PRO 30 -7.248 -6.084 -8.267
189 HD3 PRO 30 HD3 PRO 30 -8.606 -4.950 -8.318
190 H TYR 31 H TYR 31 -5.487 -6.313 -6.159
191 HA TYR 31 HA TYR 31 -4.522 -7.055 -3.484
192 HB2 TYR 31 HB2 TYR 31 -3.270 -7.585 -6.192
193 HB3 TYR 31 HB3 TYR 31 -2.661 -8.168 -4.654
194 HD1 TYR 31 HD1 TYR 31 -5.756 -8.350 -6.776
195 HD2 TYR 31 HD2 TYR 31 -3.219 -10.344 -4.014
196 HE1 TYR 31 HE1 TYR 31 -7.059 -10.392 -7.074
197 HE2 TYR 31 HE2 TYR 31 -4.530 -12.404 -4.312
198 HH TYR 31 HH TYR 31 -6.629 -13.114 -5.038
199 H TYR 32 H TYR 32 -4.103 -4.765 -6.091
200 HA TYR 32 HA TYR 32 -1.833 -3.651 -4.665
201 HB2 TYR 32 HB2 TYR 32 -1.574 -3.931 -7.107
202 HB3 TYR 32 HB3 TYR 32 -2.864 -2.759 -7.352
203 HD1 TYR 32 HD1 TYR 32 -2.192 -0.567 -7.831
204 HD2 TYR 32 HD2 TYR 32 0.306 -3.025 -5.401
205 HE1 TYR 32 HE1 TYR 32 -0.540 1.231 -7.698
206 HE2 TYR 32 HE2 TYR 32 1.957 -1.218 -5.267
207 HH TYR 32 HH TYR 32 1.278 1.950 -6.353
208 H SER 33 H SER 33 -2.181 -2.270 -3.160
209 HA SER 33 HA SER 33 -4.169 -0.154 -3.578
210 HB2 SER 33 HB2 SER 33 -3.330 -1.409 -0.936
211 HB3 SER 33 HB3 SER 33 -4.554 -0.154 -1.157
212 HG SER 33 HG SER 33 -5.299 -2.387 -0.931
213 H GLN 34 H GLN 34 -3.389 1.946 -3.015
214 HA GLN 34 HA GLN 34 -0.565 2.091 -2.242
215 HB2 GLN 34 HB2 GLN 34 -0.445 2.162 -4.616
216 HB3 GLN 34 HB3 GLN 34 -1.798 3.275 -4.719
217 HG2 GLN 34 HG2 GLN 34 -0.466 5.046 -3.807
218 HG3 GLN 34 HG3 GLN 34 0.872 3.932 -3.520
219 HE21 GLN 34 HE21 GLN 34 2.184 3.368 -5.186
220 HE22 GLN 34 HE22 GLN 34 2.087 4.105 -6.746
221 H CYS 35 H CYS 35 -0.074 3.729 -0.903
222 HA CYS 35 HA CYS 35 -2.214 5.334 0.131
223 HB2 CYS 35 HB2 CYS 35 0.742 5.518 0.755
224 HB3 CYS 35 HB3 CYS 35 -0.586 6.237 1.658
225 H LEU 36 H LEU 36 -2.933 7.034 -0.875
226 HA LEU 36 HA LEU 36 -1.054 8.900 -2.112
227 HB2 LEU 36 HB2 LEU 36 -3.875 8.248 -2.977
228 HB3 LEU 36 HB3 LEU 36 -2.876 9.504 -3.675
229 HG LEU 36 HG LEU 36 -2.321 6.534 -3.821
230 HD11 LEU 36 HD11 LEU 36 -4.202 7.196 -5.221
231 HD12 LEU 36 HD12 LEU 36 -2.795 6.787 -6.195
232 HD13 LEU 36 HD13 LEU 36 -3.223 8.478 -5.935
233 HD21 LEU 36 HD21 LEU 36 -0.252 7.857 -3.771
234 HD22 LEU 36 HD22 LEU 36 -0.863 8.849 -5.099
235 HD23 LEU 36 HD23 LEU 36 -0.528 7.142 -5.357
236 H2 BGC 101 H2 BGC 101 8.479 3.547 0.510
237 H3 BGC 101 H3 BGC 101 6.199 1.568 0.749
238 H4 BGC 101 H4 BGC 101 9.049 1.605 1.810
239 H5 BGC 101 H5 BGC 101 6.340 1.860 3.295
240 H6C1 BGC 101 H61 BGC 101 9.261 1.980 4.107
241 H6C2 BGC 101 H62 BGC 101 8.035 0.854 4.718
242 H1 BGC 101 H1 BGC 101 5.701 3.636 1.715
243 HB BGC 101 HO2 BGC 101 7.315 3.196 -1.425
244 HC BGC 101 HO3 BGC 101 8.768 1.348 -0.512
245 HD BGC 101 HO4 BGC 101 8.133 -0.464 1.280
246 H6 BGC 101 HO6 BGC 101 7.772 3.690 4.989
Start of MODEL 10
1 H1 THR 1 H1 THR 1 4.667 1.898 9.038
2 H2 THR 1 H2 THR 1 4.655 3.058 10.318
3 H3 THR 1 H3 THR 1 5.666 3.251 8.990
4 HA THR 1 HA THR 1 2.775 3.302 8.818
5 HB THR 1 HB THR 1 4.722 5.610 8.776
6 HG1 THR 1 HG1 THR 1 3.411 5.635 11.053
7 HG21 THR 1 HG21 THR 1 2.473 5.938 7.821
8 HG22 THR 1 HG22 THR 1 2.702 6.892 9.288
9 HG23 THR 1 HG23 THR 1 1.753 5.402 9.339
10 H GLN 2 H GLN 2 2.164 3.201 6.711
11 HA GLN 2 HA GLN 2 4.191 2.599 4.796
12 HB2 GLN 2 HB2 GLN 2 1.997 1.384 4.987
13 HB3 GLN 2 HB3 GLN 2 1.214 2.824 4.389
14 HG2 GLN 2 HG2 GLN 2 1.512 1.067 2.671
15 HG3 GLN 2 HG3 GLN 2 2.243 2.608 2.253
16 HE21 GLN 2 HE21 GLN 2 2.721 -0.305 1.558
17 HE22 GLN 2 HE22 GLN 2 4.419 -0.508 1.666
18 H SER 3 H SER 3 5.179 3.933 3.641
19 HA SER 3 HA SER 3 4.637 6.660 3.569
20 HB2 SER 3 HB2 SER 3 6.588 6.841 2.158
21 HB3 SER 3 HB3 SER 3 6.909 5.729 3.473
22 H HIS 4 H HIS 4 4.692 7.899 1.480
23 HA HIS 4 HA HIS 4 2.279 7.533 0.104
24 HB2 HIS 4 HB2 HIS 4 3.636 9.677 0.560
25 HB3 HIS 4 HB3 HIS 4 4.610 9.219 -0.824
26 HD1 HIS 4 HD1 HIS 4 3.863 11.347 -2.064
27 HD2 HIS 4 HD2 HIS 4 0.753 8.830 -1.034
28 HE1 HIS 4 HE1 HIS 4 1.823 12.283 -3.213
29 HE2 HIS 4 HE2 HIS 4 -0.053 10.938 -2.223
30 H TYR 5 H TYR 5 1.810 6.501 -1.756
31 HA TYR 5 HA TYR 5 1.897 5.277 -3.533
32 HB2 TYR 5 HB2 TYR 5 4.795 6.091 -3.789
33 HB3 TYR 5 HB3 TYR 5 4.012 5.010 -4.917
34 HD1 TYR 5 HD1 TYR 5 2.454 5.776 -6.523
35 HD2 TYR 5 HD2 TYR 5 4.035 8.483 -3.671
36 HE1 TYR 5 HE1 TYR 5 1.529 7.640 -7.802
37 HE2 TYR 5 HE2 TYR 5 3.110 10.374 -4.957
38 HH TYR 5 HH TYR 5 2.415 10.842 -7.240
39 H GLY 6 H GLY 6 3.002 4.415 -0.745
40 HA2 GLY 6 HA2 GLY 6 4.172 1.882 -1.434
41 HA3 GLY 6 HA3 GLY 6 3.733 2.447 0.173
42 H GLN 7 H GLN 7 3.175 -0.134 -0.934
43 HA GLN 7 HA GLN 7 0.400 -0.174 -1.637
44 HB2 GLN 7 HB2 GLN 7 2.095 -1.933 -2.371
45 HB3 GLN 7 HB3 GLN 7 2.063 -2.536 -0.719
46 HG2 GLN 7 HG2 GLN 7 -0.339 -2.989 -0.932
47 HG3 GLN 7 HG3 GLN 7 -0.303 -2.386 -2.584
48 HE21 GLN 7 HE21 GLN 7 -1.139 -4.975 -1.745
49 HE22 GLN 7 HE22 GLN 7 -0.117 -6.128 -2.453
50 H CYS 8 H CYS 8 -1.089 0.247 -0.211
51 HA CYS 8 HA CYS 8 -0.477 0.149 2.619
52 HB2 CYS 8 HB2 CYS 8 -2.679 1.273 2.840
53 HB3 CYS 8 HB3 CYS 8 -1.494 2.117 1.843
54 H GLY 9 H GLY 9 -1.465 -2.240 0.764
55 HA2 GLY 9 HA2 GLY 9 -2.065 -4.212 2.213
56 HA3 GLY 9 HA3 GLY 9 -3.318 -3.175 2.866
57 H GLY 10 H GLY 10 -2.259 -4.949 0.122
58 HA2 GLY 10 HA2 GLY 10 -4.966 -4.855 -1.017
59 HA3 GLY 10 HA3 GLY 10 -3.518 -5.453 -1.827
60 H ILE 11 H ILE 11 -5.476 -7.173 -1.974
61 HA ILE 11 HA ILE 11 -5.753 -8.976 0.146
62 HB ILE 11 HB ILE 11 -5.779 -9.505 -2.848
63 HG12 ILE 11 HG12 ILE 11 -8.062 -9.083 -0.904
64 HG13 ILE 11 HG13 ILE 11 -7.483 -7.897 -2.068
65 HG21 ILE 11 HG21 ILE 11 -6.726 -11.280 -0.598
66 HG22 ILE 11 HG22 ILE 11 -5.376 -11.587 -1.687
67 HG23 ILE 11 HG23 ILE 11 -7.025 -11.566 -2.312
68 HD11 ILE 11 HD11 ILE 11 -8.162 -9.361 -3.896
69 HD12 ILE 11 HD12 ILE 11 -9.519 -9.007 -2.822
70 HD13 ILE 11 HD13 ILE 11 -8.705 -10.567 -2.730
71 H GLY 12 H GLY 12 -4.207 -10.074 1.167
72 HA2 GLY 12 HA2 GLY 12 -2.546 -11.774 1.154
73 HA3 GLY 12 HA3 GLY 12 -2.020 -11.197 -0.418
74 H TYR 13 H TYR 13 -2.300 -8.381 0.941
75 HA TYR 13 HA TYR 13 0.513 -8.350 1.699
76 HB2 TYR 13 HB2 TYR 13 -0.549 -6.707 0.056
77 HB3 TYR 13 HB3 TYR 13 -1.363 -6.005 1.446
78 HD1 TYR 13 HD1 TYR 13 1.815 -6.450 -0.280
79 HD2 TYR 13 HD2 TYR 13 -0.099 -4.662 3.067
80 HE1 TYR 13 HE1 TYR 13 3.771 -5.010 0.055
81 HE2 TYR 13 HE2 TYR 13 1.859 -3.216 3.408
82 HH TYR 13 HH TYR 13 4.202 -3.161 2.866
83 H SER 14 H SER 14 1.168 -8.124 3.776
84 HA SER 14 HA SER 14 -0.876 -7.500 5.778
85 HB2 SER 14 HB2 SER 14 0.178 -9.318 7.169
86 HB3 SER 14 HB3 SER 14 -0.700 -9.864 5.739
87 HG SER 14 HG SER 14 1.935 -10.038 6.368
88 H GLY 15 H GLY 15 1.948 -6.497 4.503
89 HA2 GLY 15 HA2 GLY 15 3.448 -5.987 6.905
90 HA3 GLY 15 HA3 GLY 15 3.817 -5.399 5.292
91 HA PRO 16 HA PRO 16 2.632 -1.534 7.400
92 HB2 PRO 16 HB2 PRO 16 3.460 0.055 5.274
93 HB3 PRO 16 HB3 PRO 16 4.479 -0.439 6.623
94 HG2 PRO 16 HG2 PRO 16 4.285 -1.570 3.879
95 HG3 PRO 16 HG3 PRO 16 5.708 -1.358 4.912
96 HD2 PRO 16 HD2 PRO 16 4.530 -3.741 4.551
97 HD3 PRO 16 HD3 PRO 16 5.304 -3.288 6.083
98 H THR 17 H THR 17 0.485 -1.333 7.405
99 HA THR 17 HA THR 17 -0.954 -1.043 4.853
100 HB THR 17 HB THR 17 -2.928 -1.761 6.351
101 HG1 THR 17 HG1 THR 17 -2.369 -2.053 8.363
102 HG21 THR 17 HG21 THR 17 -0.704 -3.727 5.735
103 HG22 THR 17 HG22 THR 17 -1.951 -3.203 4.602
104 HG23 THR 17 HG23 THR 17 -2.391 -4.151 6.022
105 H VAL 18 H VAL 18 -0.273 0.542 7.865
106 HA VAL 18 HA VAL 18 -2.450 2.422 7.429
107 HB VAL 18 HB VAL 18 -0.367 2.325 9.639
108 HG11 VAL 18 HG11 VAL 18 -2.834 4.039 9.376
109 HG12 VAL 18 HG12 VAL 18 -1.161 4.596 9.295
110 HG13 VAL 18 HG13 VAL 18 -1.803 3.946 10.804
111 HG21 VAL 18 HG21 VAL 18 -1.878 0.432 9.761
112 HG22 VAL 18 HG22 VAL 18 -3.268 1.504 9.623
113 HG23 VAL 18 HG23 VAL 18 -2.249 1.572 11.057
114 H CYS 19 H CYS 19 -2.129 4.065 6.127
115 HA CYS 19 HA CYS 19 0.433 4.684 5.072
116 HB2 CYS 19 HB2 CYS 19 -2.181 6.166 4.747
117 HB3 CYS 19 HB3 CYS 19 -0.743 6.320 3.742
118 H ALA 20 H ALA 20 1.366 6.790 5.040
119 HA ALA 20 HA ALA 20 1.710 7.921 7.612
120 HB1 ALA 20 HB1 ALA 20 2.552 9.029 4.935
121 HB2 ALA 20 HB2 ALA 20 3.480 7.893 5.912
122 HB3 ALA 20 HB3 ALA 20 3.169 9.524 6.512
123 H SER 21 H SER 21 1.315 10.102 8.270
124 HA SER 21 HA SER 21 -1.294 10.946 7.953
125 HB2 SER 21 HB2 SER 21 -0.296 13.061 9.068
126 HB3 SER 21 HB3 SER 21 -0.210 11.536 9.948
127 HG SER 21 HG SER 21 1.800 12.983 8.656
128 H GLY 22 H GLY 22 -2.191 11.811 6.247
129 HA2 GLY 22 HA2 GLY 22 -2.312 13.842 4.878
130 HA3 GLY 22 HA3 GLY 22 -0.596 13.609 4.547
131 H THR 23 H THR 23 -1.226 10.625 4.502
132 HA THR 23 HA THR 23 -2.125 10.649 1.713
133 HB THR 23 HB THR 23 -0.775 8.626 1.358
134 HG1 THR 23 HG1 THR 23 -0.455 8.829 4.140
135 HG21 THR 23 HG21 THR 23 0.778 10.861 2.661
136 HG22 THR 23 HG22 THR 23 0.287 10.784 0.970
137 HG23 THR 23 HG23 THR 23 1.459 9.627 1.603
138 H THR 24 H THR 24 -3.533 9.043 1.021
139 HA THR 24 HA THR 24 -4.909 7.609 3.175
140 HB THR 24 HB THR 24 -6.923 7.770 1.567
141 HG1 THR 24 HG1 THR 24 -5.070 9.338 0.221
142 HG21 THR 24 HG21 THR 24 -5.889 10.244 2.959
143 HG22 THR 24 HG22 THR 24 -6.831 8.953 3.701
144 HG23 THR 24 HG23 THR 24 -7.560 9.981 2.467
145 H CYS 25 H CYS 25 -5.384 5.472 2.854
146 HA CYS 25 HA CYS 25 -3.945 4.068 0.849
147 HB2 CYS 25 HB2 CYS 25 -4.320 2.979 3.004
148 HB3 CYS 25 HB3 CYS 25 -6.072 3.094 2.789
149 H GLN 26 H GLN 26 -4.529 4.177 -1.217
150 HA GLN 26 HA GLN 26 -7.366 4.227 -1.906
151 HB2 GLN 26 HB2 GLN 26 -4.903 4.812 -3.560
152 HB3 GLN 26 HB3 GLN 26 -6.557 4.927 -4.135
153 HG2 GLN 26 HG2 GLN 26 -5.349 6.589 -1.931
154 HG3 GLN 26 HG3 GLN 26 -5.597 7.109 -3.595
155 HE21 GLN 26 HE21 GLN 26 -6.643 8.197 -1.120
156 HE22 GLN 26 HE22 GLN 26 -8.354 8.187 -1.288
157 H VAL 27 H VAL 27 -8.191 2.308 -2.419
158 HA VAL 27 HA VAL 27 -6.505 0.104 -3.156
159 HB VAL 27 HB VAL 27 -9.537 0.326 -3.132
160 HG11 VAL 27 HG11 VAL 27 -7.770 -2.089 -3.451
161 HG12 VAL 27 HG12 VAL 27 -8.873 -1.422 -4.655
162 HG13 VAL 27 HG13 VAL 27 -9.511 -2.153 -3.180
163 HG21 VAL 27 HG21 VAL 27 -9.415 -0.981 -1.061
164 HG22 VAL 27 HG22 VAL 27 -8.566 0.559 -0.905
165 HG23 VAL 27 HG23 VAL 27 -7.655 -0.936 -1.141
166 H LEU 28 H LEU 28 -5.566 0.326 -5.060
167 HA LEU 28 HA LEU 28 -6.922 1.590 -7.279
168 HB2 LEU 28 HB2 LEU 28 -4.219 0.270 -7.154
169 HB3 LEU 28 HB3 LEU 28 -4.828 1.203 -8.496
170 HG LEU 28 HG LEU 28 -4.151 2.265 -5.750
171 HD11 LEU 28 HD11 LEU 28 -2.222 1.702 -7.056
172 HD12 LEU 28 HD12 LEU 28 -2.381 3.458 -6.947
173 HD13 LEU 28 HD13 LEU 28 -2.837 2.613 -8.429
174 HD21 LEU 28 HD21 LEU 28 -6.018 3.517 -6.706
175 HD22 LEU 28 HD22 LEU 28 -5.097 3.706 -8.209
176 HD23 LEU 28 HD23 LEU 28 -4.518 4.459 -6.723
177 H ASN 29 H ASN 29 -5.838 -1.599 -6.327
178 HA ASN 29 HA ASN 29 -7.487 -2.835 -8.390
179 HB2 ASN 29 HB2 ASN 29 -4.545 -3.473 -7.917
180 HB3 ASN 29 HB3 ASN 29 -5.633 -4.446 -8.890
181 HD21 ASN 29 HD21 ASN 29 -3.682 -1.625 -8.739
182 HD22 ASN 29 HD22 ASN 29 -3.839 -1.154 -10.380
183 HA PRO 30 HA PRO 30 -8.546 -5.739 -5.176
184 HB2 PRO 30 HB2 PRO 30 -7.218 -7.918 -6.740
185 HB3 PRO 30 HB3 PRO 30 -8.821 -7.891 -5.997
186 HG2 PRO 30 HG2 PRO 30 -8.610 -7.560 -8.597
187 HG3 PRO 30 HG3 PRO 30 -9.713 -6.523 -7.672
188 HD2 PRO 30 HD2 PRO 30 -7.010 -5.916 -8.773
189 HD3 PRO 30 HD3 PRO 30 -8.443 -4.878 -8.721
190 H TYR 31 H TYR 31 -5.279 -6.450 -6.478
191 HA TYR 31 HA TYR 31 -4.499 -7.094 -3.713
192 HB2 TYR 31 HB2 TYR 31 -2.892 -7.435 -6.244
193 HB3 TYR 31 HB3 TYR 31 -2.463 -8.031 -4.651
194 HD1 TYR 31 HD1 TYR 31 -3.662 -9.996 -3.727
195 HD2 TYR 31 HD2 TYR 31 -4.413 -8.572 -7.649
196 HE1 TYR 31 HE1 TYR 31 -4.720 -12.140 -4.295
197 HE2 TYR 31 HE2 TYR 31 -5.481 -10.702 -8.236
198 HH TYR 31 HH TYR 31 -5.338 -13.061 -7.453
199 H TYR 32 H TYR 32 -4.002 -4.705 -6.227
200 HA TYR 32 HA TYR 32 -1.861 -3.629 -4.607
201 HB2 TYR 32 HB2 TYR 32 -1.471 -3.852 -7.057
202 HB3 TYR 32 HB3 TYR 32 -2.690 -2.607 -7.315
203 HD1 TYR 32 HD1 TYR 32 -1.984 -0.389 -7.445
204 HD2 TYR 32 HD2 TYR 32 0.425 -3.212 -5.380
205 HE1 TYR 32 HE1 TYR 32 -0.279 1.353 -7.062
206 HE2 TYR 32 HE2 TYR 32 2.145 -1.504 -5.000
207 HH TYR 32 HH TYR 32 2.877 0.580 -5.997
208 H SER 33 H SER 33 -2.274 -2.282 -3.102
209 HA SER 33 HA SER 33 -4.283 -0.198 -3.553
210 HB2 SER 33 HB2 SER 33 -3.427 -1.442 -0.914
211 HB3 SER 33 HB3 SER 33 -4.676 -0.213 -1.123
212 HG SER 33 HG SER 33 -5.386 -2.456 -0.912
213 H GLN 34 H GLN 34 -3.500 1.920 -3.005
214 HA GLN 34 HA GLN 34 -0.651 2.035 -2.318
215 HB2 GLN 34 HB2 GLN 34 -0.724 2.065 -4.707
216 HB3 GLN 34 HB3 GLN 34 -2.008 3.259 -4.710
217 HG2 GLN 34 HG2 GLN 34 -0.492 4.932 -3.879
218 HG3 GLN 34 HG3 GLN 34 0.789 3.709 -3.752
219 HE21 GLN 34 HE21 GLN 34 1.890 3.103 -5.584
220 HE22 GLN 34 HE22 GLN 34 1.659 3.850 -7.108
221 H CYS 35 H CYS 35 -0.157 3.638 -0.929
222 HA CYS 35 HA CYS 35 -2.235 5.332 0.097
223 HB2 CYS 35 HB2 CYS 35 0.739 5.547 0.652
224 HB3 CYS 35 HB3 CYS 35 -0.578 6.262 1.562
225 H LEU 36 H LEU 36 -2.897 7.110 -0.832
226 HA LEU 36 HA LEU 36 -0.977 8.770 -2.259
227 HB2 LEU 36 HB2 LEU 36 -3.843 8.189 -2.984
228 HB3 LEU 36 HB3 LEU 36 -2.897 9.469 -3.712
229 HG LEU 36 HG LEU 36 -2.225 6.526 -3.880
230 HD11 LEU 36 HD11 LEU 36 -2.877 6.710 -6.212
231 HD12 LEU 36 HD12 LEU 36 -3.392 8.380 -5.950
232 HD13 LEU 36 HD13 LEU 36 -4.235 7.054 -5.145
233 HD21 LEU 36 HD21 LEU 36 -0.242 7.928 -3.982
234 HD22 LEU 36 HD22 LEU 36 -1.000 8.945 -5.205
235 HD23 LEU 36 HD23 LEU 36 -0.602 7.269 -5.579
236 H2 BGC 101 H2 BGC 101 8.295 2.909 0.717
237 H3 BGC 101 H3 BGC 101 6.057 0.961 1.384
238 H4 BGC 101 H4 BGC 101 8.954 1.197 2.211
239 H5 BGC 101 H5 BGC 101 6.313 1.502 3.754
240 H6C1 BGC 101 H61 BGC 101 9.207 1.918 4.608
241 H6C2 BGC 101 H62 BGC 101 8.148 0.602 5.159
242 H1 BGC 101 H1 BGC 101 5.605 3.229 2.090
243 HB BGC 101 HO2 BGC 101 6.645 3.846 -0.569
244 HC BGC 101 HO3 BGC 101 6.991 0.625 -0.607
245 HD BGC 101 HO4 BGC 101 8.059 -0.887 1.898
246 H6 BGC 101 HO6 BGC 101 7.649 3.409 5.555
Start of MODEL 11
1 H1 THR 1 H1 THR 1 5.194 2.926 10.119
2 H2 THR 1 H2 THR 1 6.174 3.484 8.861
3 H3 THR 1 H3 THR 1 5.497 1.927 8.779
4 HA THR 1 HA THR 1 3.309 2.888 8.675
5 HB THR 1 HB THR 1 4.740 5.553 8.548
6 HG1 THR 1 HG1 THR 1 3.693 5.668 10.774
7 HG21 THR 1 HG21 THR 1 2.507 6.427 9.000
8 HG22 THR 1 HG22 THR 1 1.869 4.789 9.103
9 HG23 THR 1 HG23 THR 1 2.477 5.404 7.565
10 H GLN 2 H GLN 2 2.494 3.020 6.561
11 HA GLN 2 HA GLN 2 4.427 2.648 4.483
12 HB2 GLN 2 HB2 GLN 2 2.298 1.347 4.568
13 HB3 GLN 2 HB3 GLN 2 1.408 2.835 4.353
14 HG2 GLN 2 HG2 GLN 2 1.573 1.538 2.276
15 HG3 GLN 2 HG3 GLN 2 2.310 3.127 2.124
16 HE21 GLN 2 HE21 GLN 2 2.856 -0.275 2.160
17 HE22 GLN 2 HE22 GLN 2 4.493 -0.200 1.623
18 H SER 3 H SER 3 5.230 4.155 3.236
19 HA SER 3 HA SER 3 4.429 6.862 3.563
20 HB2 SER 3 HB2 SER 3 6.393 7.408 2.327
21 HB3 SER 3 HB3 SER 3 6.822 6.077 3.390
22 H HIS 4 H HIS 4 4.396 8.222 1.495
23 HA HIS 4 HA HIS 4 2.096 7.657 0.019
24 HB2 HIS 4 HB2 HIS 4 3.206 9.917 0.544
25 HB3 HIS 4 HB3 HIS 4 4.310 9.559 -0.766
26 HD1 HIS 4 HD1 HIS 4 3.268 11.852 -1.696
27 HD2 HIS 4 HD2 HIS 4 0.718 8.603 -1.653
28 HE1 HIS 4 HE1 HIS 4 1.365 12.481 -3.189
29 HE2 HIS 4 HE2 HIS 4 -0.283 10.655 -2.879
30 H TYR 5 H TYR 5 1.789 6.597 -1.859
31 HA TYR 5 HA TYR 5 2.055 5.514 -3.741
32 HB2 TYR 5 HB2 TYR 5 4.916 6.470 -3.759
33 HB3 TYR 5 HB3 TYR 5 4.218 5.490 -5.036
34 HD1 TYR 5 HD1 TYR 5 4.648 8.825 -3.794
35 HD2 TYR 5 HD2 TYR 5 2.186 6.390 -6.255
36 HE1 TYR 5 HE1 TYR 5 3.763 10.837 -4.894
37 HE2 TYR 5 HE2 TYR 5 1.296 8.379 -7.359
38 HH TYR 5 HH TYR 5 2.719 11.425 -7.010
39 H GLY 6 H GLY 6 3.138 4.572 -0.939
40 HA2 GLY 6 HA2 GLY 6 4.425 2.117 -1.753
41 HA3 GLY 6 HA3 GLY 6 3.981 2.606 -0.121
42 H GLN 7 H GLN 7 3.498 0.026 -0.996
43 HA GLN 7 HA GLN 7 0.737 -0.115 -1.839
44 HB2 GLN 7 HB2 GLN 7 2.525 -1.751 -2.598
45 HB3 GLN 7 HB3 GLN 7 2.523 -2.390 -0.961
46 HG2 GLN 7 HG2 GLN 7 0.163 -2.996 -1.202
47 HG3 GLN 7 HG3 GLN 7 0.163 -2.353 -2.838
48 HE21 GLN 7 HE21 GLN 7 -0.453 -5.077 -2.126
49 HE22 GLN 7 HE22 GLN 7 0.735 -6.052 -2.889
50 H CYS 8 H CYS 8 -0.737 0.300 -0.375
51 HA CYS 8 HA CYS 8 -0.128 0.087 2.458
52 HB2 CYS 8 HB2 CYS 8 -2.299 1.204 2.789
53 HB3 CYS 8 HB3 CYS 8 -1.185 2.096 1.762
54 H GLY 9 H GLY 9 -1.030 -2.199 0.515
55 HA2 GLY 9 HA2 GLY 9 -1.584 -4.293 1.689
56 HA3 GLY 9 HA3 GLY 9 -2.717 -3.347 2.634
57 H GLY 10 H GLY 10 -2.152 -5.075 -0.193
58 HA2 GLY 10 HA2 GLY 10 -4.904 -4.643 -1.069
59 HA3 GLY 10 HA3 GLY 10 -3.637 -5.484 -1.969
60 H ILE 11 H ILE 11 -5.608 -7.047 -1.953
61 HA ILE 11 HA ILE 11 -6.261 -8.529 0.297
62 HB ILE 11 HB ILE 11 -6.023 -9.476 -2.577
63 HG12 ILE 11 HG12 ILE 11 -8.447 -8.537 -1.026
64 HG13 ILE 11 HG13 ILE 11 -7.568 -7.561 -2.195
65 HG21 ILE 11 HG21 ILE 11 -6.032 -11.362 -1.068
66 HG22 ILE 11 HG22 ILE 11 -7.571 -11.262 -1.926
67 HG23 ILE 11 HG23 ILE 11 -7.462 -10.736 -0.242
68 HD11 ILE 11 HD11 ILE 11 -8.163 -9.148 -3.957
69 HD12 ILE 11 HD12 ILE 11 -9.590 -8.485 -3.159
70 HD13 ILE 11 HD13 ILE 11 -9.043 -10.119 -2.776
71 H GLY 12 H GLY 12 -5.009 -9.642 1.637
72 HA2 GLY 12 HA2 GLY 12 -3.610 -11.445 2.175
73 HA3 GLY 12 HA3 GLY 12 -2.933 -11.375 0.554
74 H TYR 13 H TYR 13 -2.598 -8.380 0.959
75 HA TYR 13 HA TYR 13 0.098 -8.644 2.003
76 HB2 TYR 13 HB2 TYR 13 -0.452 -7.326 -0.089
77 HB3 TYR 13 HB3 TYR 13 -1.253 -6.152 0.941
78 HD1 TYR 13 HD1 TYR 13 0.136 -4.722 2.502
79 HD2 TYR 13 HD2 TYR 13 1.920 -7.410 -0.284
80 HE1 TYR 13 HE1 TYR 13 2.266 -3.548 2.750
81 HE2 TYR 13 HE2 TYR 13 4.067 -6.246 -0.027
82 HH TYR 13 HH TYR 13 4.699 -4.044 2.440
83 H SER 14 H SER 14 0.427 -8.472 4.085
84 HA SER 14 HA SER 14 -1.405 -6.844 5.697
85 HB2 SER 14 HB2 SER 14 0.066 -9.288 6.452
86 HB3 SER 14 HB3 SER 14 -1.200 -8.502 7.405
87 HG SER 14 HG SER 14 -1.462 -9.807 4.884
88 H GLY 15 H GLY 15 1.336 -6.369 4.419
89 HA2 GLY 15 HA2 GLY 15 3.114 -6.025 6.657
90 HA3 GLY 15 HA3 GLY 15 3.411 -5.513 5.005
91 HA PRO 16 HA PRO 16 2.799 -1.472 7.020
92 HB2 PRO 16 HB2 PRO 16 3.638 -0.064 4.758
93 HB3 PRO 16 HB3 PRO 16 4.699 -0.580 6.063
94 HG2 PRO 16 HG2 PRO 16 4.234 -1.799 3.395
95 HG3 PRO 16 HG3 PRO 16 5.721 -1.719 4.350
96 HD2 PRO 16 HD2 PRO 16 4.218 -3.949 4.118
97 HD3 PRO 16 HD3 PRO 16 5.182 -3.594 5.561
98 H THR 17 H THR 17 0.672 -1.278 7.119
99 HA THR 17 HA THR 17 -0.858 -1.087 4.630
100 HB THR 17 HB THR 17 -2.753 -1.966 6.210
101 HG1 THR 17 HG1 THR 17 -0.416 -2.975 7.484
102 HG21 THR 17 HG21 THR 17 -2.152 -4.269 5.649
103 HG22 THR 17 HG22 THR 17 -0.481 -3.782 5.374
104 HG23 THR 17 HG23 THR 17 -1.749 -3.203 4.298
105 H VAL 18 H VAL 18 -0.036 0.547 7.488
106 HA VAL 18 HA VAL 18 -2.354 2.306 7.290
107 HB VAL 18 HB VAL 18 -0.146 2.286 9.370
108 HG11 VAL 18 HG11 VAL 18 -1.650 3.721 10.676
109 HG12 VAL 18 HG12 VAL 18 -2.782 3.738 9.324
110 HG13 VAL 18 HG13 VAL 18 -1.184 4.463 9.143
111 HG21 VAL 18 HG21 VAL 18 -2.952 1.181 9.567
112 HG22 VAL 18 HG22 VAL 18 -1.793 1.282 10.894
113 HG23 VAL 18 HG23 VAL 18 -1.465 0.235 9.515
114 H CYS 19 H CYS 19 -2.135 4.163 6.237
115 HA CYS 19 HA CYS 19 0.409 4.779 5.059
116 HB2 CYS 19 HB2 CYS 19 -2.231 6.228 4.803
117 HB3 CYS 19 HB3 CYS 19 -0.803 6.418 3.778
118 H ALA 20 H ALA 20 1.471 6.739 5.207
119 HA ALA 20 HA ALA 20 1.745 7.907 7.732
120 HB1 ALA 20 HB1 ALA 20 2.486 9.062 5.040
121 HB2 ALA 20 HB2 ALA 20 3.486 7.975 5.998
122 HB3 ALA 20 HB3 ALA 20 3.115 9.589 6.598
123 H SER 21 H SER 21 1.065 9.862 8.567
124 HA SER 21 HA SER 21 -1.559 10.597 8.137
125 HB2 SER 21 HB2 SER 21 0.691 12.189 9.384
126 HB3 SER 21 HB3 SER 21 -1.038 12.457 9.640
127 HG SER 21 HG SER 21 -1.156 10.328 10.442
128 H GLY 22 H GLY 22 -2.425 11.569 6.451
129 HA2 GLY 22 HA2 GLY 22 -2.481 13.720 5.201
130 HA3 GLY 22 HA3 GLY 22 -0.763 13.457 4.928
131 H THR 23 H THR 23 -1.252 10.536 4.652
132 HA THR 23 HA THR 23 -2.275 10.680 1.920
133 HB THR 23 HB THR 23 -0.911 8.643 1.436
134 HG1 THR 23 HG1 THR 23 -0.313 8.903 4.173
135 HG21 THR 23 HG21 THR 23 -0.009 10.851 0.925
136 HG22 THR 23 HG22 THR 23 1.270 9.748 1.437
137 HG23 THR 23 HG23 THR 23 0.656 10.966 2.556
138 H THR 24 H THR 24 -3.553 8.931 1.181
139 HA THR 24 HA THR 24 -4.774 7.393 3.353
140 HB THR 24 HB THR 24 -6.948 7.673 1.887
141 HG1 THR 24 HG1 THR 24 -5.397 9.207 0.441
142 HG21 THR 24 HG21 THR 24 -5.875 9.852 3.683
143 HG22 THR 24 HG22 THR 24 -6.744 8.408 4.207
144 HG23 THR 24 HG23 THR 24 -7.570 9.638 3.249
145 H CYS 25 H CYS 25 -5.259 5.291 2.977
146 HA CYS 25 HA CYS 25 -3.917 3.991 0.862
147 HB2 CYS 25 HB2 CYS 25 -4.266 2.954 3.089
148 HB3 CYS 25 HB3 CYS 25 -5.994 2.900 2.780
149 H GLN 26 H GLN 26 -4.566 3.876 -1.168
150 HA GLN 26 HA GLN 26 -7.432 3.951 -1.774
151 HB2 GLN 26 HB2 GLN 26 -5.080 4.491 -3.574
152 HB3 GLN 26 HB3 GLN 26 -6.772 4.705 -3.964
153 HG2 GLN 26 HG2 GLN 26 -5.160 6.297 -1.992
154 HG3 GLN 26 HG3 GLN 26 -5.708 6.814 -3.586
155 HE21 GLN 26 HE21 GLN 26 -6.140 8.037 -1.085
156 HE22 GLN 26 HE22 GLN 26 -7.845 8.127 -0.815
157 H VAL 27 H VAL 27 -8.238 2.147 -2.604
158 HA VAL 27 HA VAL 27 -6.525 -0.079 -3.251
159 HB VAL 27 HB VAL 27 -9.537 0.228 -3.523
160 HG11 VAL 27 HG11 VAL 27 -9.585 -2.240 -3.637
161 HG12 VAL 27 HG12 VAL 27 -7.818 -2.243 -3.670
162 HG13 VAL 27 HG13 VAL 27 -8.723 -1.510 -4.991
163 HG21 VAL 27 HG21 VAL 27 -9.682 -1.109 -1.474
164 HG22 VAL 27 HG22 VAL 27 -8.822 0.407 -1.201
165 HG23 VAL 27 HG23 VAL 27 -7.924 -1.102 -1.347
166 H LEU 28 H LEU 28 -5.452 0.174 -5.105
167 HA LEU 28 HA LEU 28 -6.685 1.528 -7.358
168 HB2 LEU 28 HB2 LEU 28 -3.956 0.284 -7.051
169 HB3 LEU 28 HB3 LEU 28 -4.497 1.161 -8.464
170 HG LEU 28 HG LEU 28 -4.126 2.343 -5.705
171 HD11 LEU 28 HD11 LEU 28 -2.273 3.539 -6.749
172 HD12 LEU 28 HD12 LEU 28 -2.531 2.628 -8.240
173 HD13 LEU 28 HD13 LEU 28 -2.041 1.795 -6.760
174 HD21 LEU 28 HD21 LEU 28 -5.907 3.464 -6.933
175 HD22 LEU 28 HD22 LEU 28 -4.819 3.615 -8.326
176 HD23 LEU 28 HD23 LEU 28 -4.454 4.472 -6.829
177 H ASN 29 H ASN 29 -5.607 -1.645 -6.392
178 HA ASN 29 HA ASN 29 -7.281 -2.853 -8.410
179 HB2 ASN 29 HB2 ASN 29 -4.328 -3.556 -8.039
180 HB3 ASN 29 HB3 ASN 29 -5.468 -4.465 -9.014
181 HD21 ASN 29 HD21 ASN 29 -3.431 -1.708 -8.844
182 HD22 ASN 29 HD22 ASN 29 -3.642 -1.176 -10.467
183 HA PRO 30 HA PRO 30 -8.365 -5.615 -5.123
184 HB2 PRO 30 HB2 PRO 30 -7.121 -7.899 -6.589
185 HB3 PRO 30 HB3 PRO 30 -8.727 -7.783 -5.857
186 HG2 PRO 30 HG2 PRO 30 -8.473 -7.561 -8.472
187 HG3 PRO 30 HG3 PRO 30 -9.562 -6.467 -7.593
188 HD2 PRO 30 HD2 PRO 30 -6.851 -5.952 -8.716
189 HD3 PRO 30 HD3 PRO 30 -8.264 -4.879 -8.670
190 H TYR 31 H TYR 31 -5.094 -6.480 -6.330
191 HA TYR 31 HA TYR 31 -4.400 -7.098 -3.554
192 HB2 TYR 31 HB2 TYR 31 -2.888 -7.744 -6.108
193 HB3 TYR 31 HB3 TYR 31 -2.389 -8.197 -4.486
194 HD1 TYR 31 HD1 TYR 31 -4.764 -8.896 -7.209
195 HD2 TYR 31 HD2 TYR 31 -3.484 -10.012 -3.310
196 HE1 TYR 31 HE1 TYR 31 -6.028 -10.999 -7.398
197 HE2 TYR 31 HE2 TYR 31 -4.750 -12.111 -3.488
198 HH TYR 31 HH TYR 31 -6.674 -12.988 -4.724
199 H TYR 32 H TYR 32 -3.764 -4.855 -6.132
200 HA TYR 32 HA TYR 32 -1.602 -3.708 -4.567
201 HB2 TYR 32 HB2 TYR 32 -1.283 -3.974 -7.030
202 HB3 TYR 32 HB3 TYR 32 -2.543 -2.764 -7.274
203 HD1 TYR 32 HD1 TYR 32 -1.878 -0.514 -7.498
204 HD2 TYR 32 HD2 TYR 32 0.622 -3.237 -5.390
205 HE1 TYR 32 HE1 TYR 32 -0.188 1.250 -7.228
206 HE2 TYR 32 HE2 TYR 32 2.312 -1.493 -5.114
207 HH TYR 32 HH TYR 32 2.991 0.491 -6.065
208 H SER 33 H SER 33 -2.081 -2.321 -3.055
209 HA SER 33 HA SER 33 -4.104 -0.287 -3.616
210 HB2 SER 33 HB2 SER 33 -3.314 -1.446 -0.927
211 HB3 SER 33 HB3 SER 33 -4.596 -0.278 -1.225
212 HG SER 33 HG SER 33 -5.115 -2.607 -0.970
213 H GLN 34 H GLN 34 -3.396 1.841 -2.925
214 HA GLN 34 HA GLN 34 -0.577 1.990 -2.168
215 HB2 GLN 34 HB2 GLN 34 -0.504 2.076 -4.550
216 HB3 GLN 34 HB3 GLN 34 -1.831 3.227 -4.604
217 HG2 GLN 34 HG2 GLN 34 -0.422 4.928 -3.612
218 HG3 GLN 34 HG3 GLN 34 0.893 3.765 -3.479
219 HE21 GLN 34 HE21 GLN 34 2.092 3.275 -5.256
220 HE22 GLN 34 HE22 GLN 34 1.923 4.095 -6.762
221 H CYS 35 H CYS 35 -0.068 3.700 -0.904
222 HA CYS 35 HA CYS 35 -2.237 5.248 0.163
223 HB2 CYS 35 HB2 CYS 35 0.732 5.621 0.714
224 HB3 CYS 35 HB3 CYS 35 -0.605 6.328 1.586
225 H LEU 36 H LEU 36 -3.051 6.901 -0.734
226 HA LEU 36 HA LEU 36 -1.430 8.924 -2.022
227 HB2 LEU 36 HB2 LEU 36 -4.016 7.749 -3.082
228 HB3 LEU 36 HB3 LEU 36 -3.234 9.169 -3.728
229 HG LEU 36 HG LEU 36 -2.076 6.381 -3.811
230 HD11 LEU 36 HD11 LEU 36 -2.603 6.474 -6.204
231 HD12 LEU 36 HD12 LEU 36 -3.404 8.026 -5.955
232 HD13 LEU 36 HD13 LEU 36 -4.060 6.570 -5.214
233 HD21 LEU 36 HD21 LEU 36 -1.201 8.942 -5.145
234 HD22 LEU 36 HD22 LEU 36 -0.464 7.353 -5.356
235 HD23 LEU 36 HD23 LEU 36 -0.384 8.156 -3.793
236 H2 BGC 101 H2 BGC 101 8.213 3.913 0.075
237 H3 BGC 101 H3 BGC 101 5.922 1.917 0.282
238 H4 BGC 101 H4 BGC 101 8.828 1.860 1.126
239 H5 BGC 101 H5 BGC 101 6.210 1.937 2.740
240 H6C1 BGC 101 H61 BGC 101 9.137 1.943 3.565
241 H6C2 BGC 101 H62 BGC 101 7.923 0.702 3.964
242 H1 BGC 101 H1 BGC 101 5.545 3.944 1.499
243 HB BGC 101 HO2 BGC 101 6.567 5.177 -0.885
244 HC BGC 101 HO3 BGC 101 6.919 2.008 -1.793
245 HD BGC 101 HO4 BGC 101 7.848 -0.119 0.407
246 H6 BGC 101 HO6 BGC 101 7.574 3.431 4.674
Start of MODEL 12
1 H1 THR 1 H1 THR 1 4.029 1.246 9.008
2 H2 THR 1 H2 THR 1 4.148 2.403 10.291
3 H3 THR 1 H3 THR 1 5.305 2.345 9.068
4 HA THR 1 HA THR 1 2.516 3.032 8.626
5 HB THR 1 HB THR 1 4.929 4.849 8.755
6 HG1 THR 1 HG1 THR 1 3.439 5.247 10.880
7 HG21 THR 1 HG21 THR 1 3.197 6.581 9.042
8 HG22 THR 1 HG22 THR 1 1.941 5.343 8.970
9 HG23 THR 1 HG23 THR 1 2.931 5.678 7.551
10 H GLN 2 H GLN 2 2.098 3.217 6.462
11 HA GLN 2 HA GLN 2 4.173 2.316 4.652
12 HB2 GLN 2 HB2 GLN 2 1.864 1.352 4.608
13 HB3 GLN 2 HB3 GLN 2 1.268 2.922 4.098
14 HG2 GLN 2 HG2 GLN 2 1.495 1.448 2.200
15 HG3 GLN 2 HG3 GLN 2 2.633 2.788 2.083
16 HE21 GLN 2 HE21 GLN 2 2.272 -0.575 2.679
17 HE22 GLN 2 HE22 GLN 2 3.893 -1.044 2.431
18 H SER 3 H SER 3 5.354 3.684 3.508
19 HA SER 3 HA SER 3 4.961 6.429 3.557
20 HB2 SER 3 HB2 SER 3 6.878 6.549 2.039
21 HB3 SER 3 HB3 SER 3 7.197 5.431 3.355
22 H HIS 4 H HIS 4 4.788 7.832 1.713
23 HA HIS 4 HA HIS 4 2.424 7.485 0.253
24 HB2 HIS 4 HB2 HIS 4 3.594 9.657 0.866
25 HB3 HIS 4 HB3 HIS 4 4.735 9.316 -0.421
26 HD1 HIS 4 HD1 HIS 4 4.044 11.512 -1.646
27 HD2 HIS 4 HD2 HIS 4 0.937 8.809 -1.132
28 HE1 HIS 4 HE1 HIS 4 2.116 12.423 -2.952
29 HE2 HIS 4 HE2 HIS 4 0.220 10.922 -2.434
30 H TYR 5 H TYR 5 2.011 6.516 -1.659
31 HA TYR 5 HA TYR 5 2.179 5.454 -3.577
32 HB2 TYR 5 HB2 TYR 5 5.104 6.218 -3.618
33 HB3 TYR 5 HB3 TYR 5 4.318 5.304 -4.897
34 HD1 TYR 5 HD1 TYR 5 4.980 8.564 -3.549
35 HD2 TYR 5 HD2 TYR 5 2.440 6.397 -6.171
36 HE1 TYR 5 HE1 TYR 5 4.318 10.662 -4.634
37 HE2 TYR 5 HE2 TYR 5 1.770 8.492 -7.266
38 HH TYR 5 HH TYR 5 3.433 11.354 -6.851
39 H GLY 6 H GLY 6 3.170 4.416 -0.787
40 HA2 GLY 6 HA2 GLY 6 4.322 1.908 -1.626
41 HA3 GLY 6 HA3 GLY 6 3.901 2.392 0.015
42 H GLN 7 H GLN 7 3.258 -0.126 -1.034
43 HA GLN 7 HA GLN 7 0.523 -0.106 -1.899
44 HB2 GLN 7 HB2 GLN 7 2.272 -1.818 -2.600
45 HB3 GLN 7 HB3 GLN 7 2.175 -2.466 -0.970
46 HG2 GLN 7 HG2 GLN 7 -0.214 -2.946 -1.340
47 HG3 GLN 7 HG3 GLN 7 -0.054 -2.349 -2.986
48 HE21 GLN 7 HE21 GLN 7 -0.833 -5.031 -2.221
49 HE22 GLN 7 HE22 GLN 7 0.361 -6.082 -2.854
50 H CYS 8 H CYS 8 -0.970 0.370 -0.457
51 HA CYS 8 HA CYS 8 -0.370 0.251 2.364
52 HB2 CYS 8 HB2 CYS 8 -2.535 1.384 2.659
53 HB3 CYS 8 HB3 CYS 8 -1.422 2.211 1.577
54 H GLY 9 H GLY 9 -1.246 -2.197 0.633
55 HA2 GLY 9 HA2 GLY 9 -1.825 -4.171 2.021
56 HA3 GLY 9 HA3 GLY 9 -2.995 -3.129 2.801
57 H GLY 10 H GLY 10 -2.250 -4.874 -0.063
58 HA2 GLY 10 HA2 GLY 10 -5.072 -4.757 -0.864
59 HA3 GLY 10 HA3 GLY 10 -3.738 -5.387 -1.835
60 H ILE 11 H ILE 11 -5.571 -7.181 -1.788
61 HA ILE 11 HA ILE 11 -5.694 -8.897 0.417
62 HB ILE 11 HB ILE 11 -5.808 -9.593 -2.540
63 HG12 ILE 11 HG12 ILE 11 -8.040 -9.087 -0.555
64 HG13 ILE 11 HG13 ILE 11 -7.530 -7.982 -1.826
65 HG21 ILE 11 HG21 ILE 11 -6.958 -11.655 -1.877
66 HG22 ILE 11 HG22 ILE 11 -6.715 -11.247 -0.184
67 HG23 ILE 11 HG23 ILE 11 -5.322 -11.585 -1.215
68 HD11 ILE 11 HD11 ILE 11 -9.562 -9.188 -2.425
69 HD12 ILE 11 HD12 ILE 11 -8.708 -10.722 -2.248
70 HD13 ILE 11 HD13 ILE 11 -8.233 -9.590 -3.514
71 H GLY 12 H GLY 12 -3.978 -9.788 1.439
72 HA2 GLY 12 HA2 GLY 12 -2.345 -11.511 1.430
73 HA3 GLY 12 HA3 GLY 12 -1.940 -11.079 -0.222
74 H TYR 13 H TYR 13 -2.148 -8.162 1.087
75 HA TYR 13 HA TYR 13 0.718 -8.187 1.736
76 HB2 TYR 13 HB2 TYR 13 -0.111 -6.632 -0.067
77 HB3 TYR 13 HB3 TYR 13 -1.053 -5.793 1.151
78 HD1 TYR 13 HD1 TYR 13 0.194 -4.505 2.971
79 HD2 TYR 13 HD2 TYR 13 2.183 -6.191 -0.392
80 HE1 TYR 13 HE1 TYR 13 2.109 -3.025 3.367
81 HE2 TYR 13 HE2 TYR 13 4.109 -4.720 -0.000
82 HH TYR 13 HH TYR 13 4.547 -2.591 1.036
83 H SER 14 H SER 14 1.052 -8.467 3.812
84 HA SER 14 HA SER 14 -0.861 -7.351 5.721
85 HB2 SER 14 HB2 SER 14 0.997 -9.634 5.978
86 HB3 SER 14 HB3 SER 14 -0.200 -9.161 7.188
87 HG SER 14 HG SER 14 -1.715 -9.410 5.288
88 H GLY 15 H GLY 15 1.739 -6.306 4.447
89 HA2 GLY 15 HA2 GLY 15 3.447 -5.862 6.732
90 HA3 GLY 15 HA3 GLY 15 3.645 -5.174 5.125
91 HA PRO 16 HA PRO 16 2.303 -1.616 7.610
92 HB2 PRO 16 HB2 PRO 16 3.295 0.236 5.795
93 HB3 PRO 16 HB3 PRO 16 4.163 -0.384 7.196
94 HG2 PRO 16 HG2 PRO 16 4.459 -1.068 4.341
95 HG3 PRO 16 HG3 PRO 16 5.647 -1.156 5.646
96 HD2 PRO 16 HD2 PRO 16 4.324 -3.312 4.523
97 HD3 PRO 16 HD3 PRO 16 5.119 -3.318 6.108
98 H THR 17 H THR 17 0.163 -1.465 7.411
99 HA THR 17 HA THR 17 -0.962 -0.931 4.769
100 HB THR 17 HB THR 17 -3.129 -1.653 5.846
101 HG1 THR 17 HG1 THR 17 -2.883 -2.823 7.813
102 HG21 THR 17 HG21 THR 17 -0.860 -3.654 5.928
103 HG22 THR 17 HG22 THR 17 -1.759 -3.198 4.486
104 HG23 THR 17 HG23 THR 17 -2.574 -4.046 5.803
105 H VAL 18 H VAL 18 -0.405 0.538 7.816
106 HA VAL 18 HA VAL 18 -2.486 2.516 7.411
107 HB VAL 18 HB VAL 18 -0.382 2.263 9.593
108 HG11 VAL 18 HG11 VAL 18 -0.950 4.604 9.274
109 HG12 VAL 18 HG12 VAL 18 -1.657 4.013 10.781
110 HG13 VAL 18 HG13 VAL 18 -2.669 4.214 9.350
111 HG21 VAL 18 HG21 VAL 18 -2.103 0.535 9.684
112 HG22 VAL 18 HG22 VAL 18 -3.357 1.771 9.643
113 HG23 VAL 18 HG23 VAL 18 -2.273 1.662 11.029
114 H CYS 19 H CYS 19 -2.127 4.092 6.068
115 HA CYS 19 HA CYS 19 0.452 4.707 5.040
116 HB2 CYS 19 HB2 CYS 19 -2.151 6.193 4.710
117 HB3 CYS 19 HB3 CYS 19 -0.708 6.364 3.716
118 H ALA 20 H ALA 20 1.429 6.815 5.047
119 HA ALA 20 HA ALA 20 1.776 7.967 7.576
120 HB1 ALA 20 HB1 ALA 20 2.373 9.132 4.851
121 HB2 ALA 20 HB2 ALA 20 3.452 8.100 5.788
122 HB3 ALA 20 HB3 ALA 20 3.037 9.707 6.377
123 H SER 21 H SER 21 1.142 10.048 8.344
124 HA SER 21 HA SER 21 -1.577 10.606 8.005
125 HB2 SER 21 HB2 SER 21 0.587 12.337 9.203
126 HB3 SER 21 HB3 SER 21 -1.143 12.457 9.523
127 HG SER 21 HG SER 21 -0.792 10.068 10.057
128 H GLY 22 H GLY 22 -2.501 11.562 6.354
129 HA2 GLY 22 HA2 GLY 22 -2.760 13.622 5.083
130 HA3 GLY 22 HA3 GLY 22 -1.008 13.635 4.890
131 H THR 23 H THR 23 -1.339 10.560 4.604
132 HA THR 23 HA THR 23 -2.061 10.701 1.775
133 HB THR 23 HB THR 23 -0.656 8.714 1.394
134 HG1 THR 23 HG1 THR 23 -0.375 8.832 4.198
135 HG21 THR 23 HG21 THR 23 0.381 10.898 1.134
136 HG22 THR 23 HG22 THR 23 1.557 9.743 1.765
137 HG23 THR 23 HG23 THR 23 0.811 10.922 2.842
138 H THR 24 H THR 24 -3.412 9.098 0.944
139 HA THR 24 HA THR 24 -4.845 7.648 3.037
140 HB THR 24 HB THR 24 -6.865 7.866 1.456
141 HG1 THR 24 HG1 THR 24 -5.014 9.456 0.119
142 HG21 THR 24 HG21 THR 24 -6.700 8.986 3.625
143 HG22 THR 24 HG22 THR 24 -7.470 10.035 2.436
144 HG23 THR 24 HG23 THR 24 -5.784 10.301 2.887
145 H CYS 25 H CYS 25 -5.224 5.555 2.785
146 HA CYS 25 HA CYS 25 -3.901 4.097 0.765
147 HB2 CYS 25 HB2 CYS 25 -4.285 3.101 2.969
148 HB3 CYS 25 HB3 CYS 25 -6.031 3.192 2.732
149 H GLN 26 H GLN 26 -4.505 4.199 -1.266
150 HA GLN 26 HA GLN 26 -7.343 4.220 -1.894
151 HB2 GLN 26 HB2 GLN 26 -4.935 4.892 -3.589
152 HB3 GLN 26 HB3 GLN 26 -6.604 4.985 -4.124
153 HG2 GLN 26 HG2 GLN 26 -5.364 6.613 -1.919
154 HG3 GLN 26 HG3 GLN 26 -5.718 7.186 -3.547
155 HE21 GLN 26 HE21 GLN 26 -6.684 8.161 -0.984
156 HE22 GLN 26 HE22 GLN 26 -8.406 8.070 -1.093
157 H VAL 27 H VAL 27 -8.141 2.281 -2.375
158 HA VAL 27 HA VAL 27 -6.388 0.128 -3.161
159 HB VAL 27 HB VAL 27 -9.418 0.142 -2.892
160 HG11 VAL 27 HG11 VAL 27 -9.227 -2.297 -2.854
161 HG12 VAL 27 HG12 VAL 27 -7.484 -2.166 -3.098
162 HG13 VAL 27 HG13 VAL 27 -8.586 -1.638 -4.362
163 HG21 VAL 27 HG21 VAL 27 -7.286 -0.803 -0.981
164 HG22 VAL 27 HG22 VAL 27 -9.019 -1.032 -0.774
165 HG23 VAL 27 HG23 VAL 27 -8.339 0.601 -0.762
166 H LEU 28 H LEU 28 -5.739 0.067 -5.142
167 HA LEU 28 HA LEU 28 -7.295 1.308 -7.279
168 HB2 LEU 28 HB2 LEU 28 -4.497 0.170 -7.232
169 HB3 LEU 28 HB3 LEU 28 -5.234 0.933 -8.625
170 HG LEU 28 HG LEU 28 -4.707 2.351 -6.001
171 HD11 LEU 28 HD11 LEU 28 -2.625 1.705 -7.080
172 HD12 LEU 28 HD12 LEU 28 -2.879 3.449 -7.191
173 HD13 LEU 28 HD13 LEU 28 -3.171 2.421 -8.597
174 HD21 LEU 28 HD21 LEU 28 -5.107 4.351 -7.322
175 HD22 LEU 28 HD22 LEU 28 -6.529 3.291 -7.319
176 HD23 LEU 28 HD23 LEU 28 -5.448 3.336 -8.724
177 H ASN 29 H ASN 29 -5.657 -1.729 -6.599
178 HA ASN 29 HA ASN 29 -7.445 -3.112 -8.494
179 HB2 ASN 29 HB2 ASN 29 -4.579 -3.813 -7.712
180 HB3 ASN 29 HB3 ASN 29 -5.629 -4.825 -8.662
181 HD21 ASN 29 HD21 ASN 29 -5.343 -1.354 -9.138
182 HD22 ASN 29 HD22 ASN 29 -4.546 -1.457 -10.670
183 HA PRO 30 HA PRO 30 -8.686 -5.650 -5.008
184 HB2 PRO 30 HB2 PRO 30 -7.480 -8.025 -6.371
185 HB3 PRO 30 HB3 PRO 30 -9.094 -7.848 -5.679
186 HG2 PRO 30 HG2 PRO 30 -8.809 -7.755 -8.292
187 HG3 PRO 30 HG3 PRO 30 -9.862 -6.574 -7.487
188 HD2 PRO 30 HD2 PRO 30 -7.089 -6.232 -8.536
189 HD3 PRO 30 HD3 PRO 30 -8.464 -5.119 -8.660
190 H TYR 31 H TYR 31 -5.452 -6.419 -6.271
191 HA TYR 31 HA TYR 31 -4.612 -7.037 -3.519
192 HB2 TYR 31 HB2 TYR 31 -3.176 -7.555 -6.124
193 HB3 TYR 31 HB3 TYR 31 -2.620 -8.043 -4.536
194 HD1 TYR 31 HD1 TYR 31 -3.414 -10.042 -3.538
195 HD2 TYR 31 HD2 TYR 31 -5.207 -8.614 -7.102
196 HE1 TYR 31 HE1 TYR 31 -4.574 -12.186 -3.809
197 HE2 TYR 31 HE2 TYR 31 -6.378 -10.745 -7.375
198 HH TYR 31 HH TYR 31 -6.680 -12.973 -4.968
199 H TYR 32 H TYR 32 -4.146 -4.756 -6.115
200 HA TYR 32 HA TYR 32 -1.913 -3.611 -4.675
201 HB2 TYR 32 HB2 TYR 32 -1.629 -3.891 -7.096
202 HB3 TYR 32 HB3 TYR 32 -2.969 -2.785 -7.373
203 HD1 TYR 32 HD1 TYR 32 0.123 -2.811 -5.295
204 HD2 TYR 32 HD2 TYR 32 -2.343 -0.639 -8.017
205 HE1 TYR 32 HE1 TYR 32 1.687 -0.940 -5.208
206 HE2 TYR 32 HE2 TYR 32 -0.766 1.228 -7.933
207 HH TYR 32 HH TYR 32 0.956 2.125 -6.585
208 H SER 33 H SER 33 -2.244 -2.195 -3.208
209 HA SER 33 HA SER 33 -4.293 -0.149 -3.598
210 HB2 SER 33 HB2 SER 33 -3.358 -1.401 -0.985
211 HB3 SER 33 HB3 SER 33 -4.638 -0.200 -1.169
212 HG SER 33 HG SER 33 -5.380 -2.379 -0.950
213 H GLN 34 H GLN 34 -3.483 1.982 -3.016
214 HA GLN 34 HA GLN 34 -0.639 2.079 -2.304
215 HB2 GLN 34 HB2 GLN 34 -0.562 2.193 -4.676
216 HB3 GLN 34 HB3 GLN 34 -1.899 3.328 -4.738
217 HG2 GLN 34 HG2 GLN 34 -0.517 5.054 -3.766
218 HG3 GLN 34 HG3 GLN 34 0.826 3.911 -3.601
219 HE21 GLN 34 HE21 GLN 34 2.056 3.420 -5.410
220 HE22 GLN 34 HE22 GLN 34 1.822 4.247 -6.910
221 H CYS 35 H CYS 35 -0.095 3.692 -0.949
222 HA CYS 35 HA CYS 35 -2.158 5.402 0.102
223 HB2 CYS 35 HB2 CYS 35 0.812 5.607 0.647
224 HB3 CYS 35 HB3 CYS 35 -0.518 6.307 1.548
225 H LEU 36 H LEU 36 -2.804 7.120 -0.883
226 HA LEU 36 HA LEU 36 -0.877 8.830 -2.247
227 HB2 LEU 36 HB2 LEU 36 -3.764 8.255 -2.900
228 HB3 LEU 36 HB3 LEU 36 -2.842 9.550 -3.636
229 HG LEU 36 HG LEU 36 -2.126 6.629 -3.855
230 HD11 LEU 36 HD11 LEU 36 -4.226 7.093 -4.992
231 HD12 LEU 36 HD12 LEU 36 -2.925 6.799 -6.144
232 HD13 LEU 36 HD13 LEU 36 -3.477 8.450 -5.835
233 HD21 LEU 36 HD21 LEU 36 -0.625 7.418 -5.627
234 HD22 LEU 36 HD22 LEU 36 -0.207 8.115 -4.069
235 HD23 LEU 36 HD23 LEU 36 -1.073 9.082 -5.265
236 H2 BGC 101 H2 BGC 101 8.506 2.480 0.794
237 H3 BGC 101 H3 BGC 101 6.049 0.768 1.229
238 H4 BGC 101 H4 BGC 101 8.846 0.699 2.473
239 H5 BGC 101 H5 BGC 101 6.110 1.461 3.707
240 H6C1 BGC 101 H61 BGC 101 8.985 1.404 4.717
241 H6C2 BGC 101 H62 BGC 101 7.590 0.555 5.410
242 H1 BGC 101 H1 BGC 101 5.718 3.028 1.900
243 HB BGC 101 HO2 BGC 101 7.308 1.889 -1.065
244 HC BGC 101 HO3 BGC 101 8.639 0.167 0.174
245 HD BGC 101 HO4 BGC 101 6.444 -0.775 2.906
246 H6 BGC 101 HO6 BGC 101 6.730 2.478 6.131
Start of MODEL 13
1 H1 THR 1 H1 THR 1 3.725 1.134 9.208
2 H2 THR 1 H2 THR 1 3.701 2.241 10.522
3 H3 THR 1 H3 THR 1 4.912 2.300 9.370
4 HA THR 1 HA THR 1 2.126 2.801 8.734
5 HB THR 1 HB THR 1 4.352 4.787 9.230
6 HG1 THR 1 HG1 THR 1 3.565 4.999 11.226
7 HG21 THR 1 HG21 THR 1 2.508 6.397 9.258
8 HG22 THR 1 HG22 THR 1 1.360 5.094 8.943
9 HG23 THR 1 HG23 THR 1 2.554 5.533 7.721
10 H GLN 2 H GLN 2 1.834 3.163 6.560
11 HA GLN 2 HA GLN 2 3.997 2.380 4.828
12 HB2 GLN 2 HB2 GLN 2 1.712 1.442 4.573
13 HB3 GLN 2 HB3 GLN 2 1.104 3.051 4.239
14 HG2 GLN 2 HG2 GLN 2 1.378 1.704 2.221
15 HG3 GLN 2 HG3 GLN 2 2.383 3.152 2.201
16 HE21 GLN 2 HE21 GLN 2 2.373 -0.310 2.454
17 HE22 GLN 2 HE22 GLN 2 4.058 -0.514 2.193
18 H SER 3 H SER 3 5.200 3.743 3.676
19 HA SER 3 HA SER 3 4.879 6.530 3.948
20 HB2 SER 3 HB2 SER 3 6.927 6.717 2.721
21 HB3 SER 3 HB3 SER 3 7.093 5.321 3.750
22 H HIS 4 H HIS 4 5.135 7.886 1.788
23 HA HIS 4 HA HIS 4 2.632 7.578 0.468
24 HB2 HIS 4 HB2 HIS 4 3.877 9.778 0.941
25 HB3 HIS 4 HB3 HIS 4 4.905 9.369 -0.428
26 HD1 HIS 4 HD1 HIS 4 3.800 11.800 -1.244
27 HD2 HIS 4 HD2 HIS 4 1.301 8.491 -1.225
28 HE1 HIS 4 HE1 HIS 4 1.808 12.440 -2.598
29 HE2 HIS 4 HE2 HIS 4 0.192 10.624 -2.038
30 H TYR 5 H TYR 5 2.155 6.578 -1.392
31 HA TYR 5 HA TYR 5 2.277 5.650 -3.372
32 HB2 TYR 5 HB2 TYR 5 5.228 6.340 -3.394
33 HB3 TYR 5 HB3 TYR 5 4.408 5.531 -4.726
34 HD1 TYR 5 HD1 TYR 5 2.271 6.740 -5.591
35 HD2 TYR 5 HD2 TYR 5 5.368 8.679 -3.431
36 HE1 TYR 5 HE1 TYR 5 1.536 8.888 -6.488
37 HE2 TYR 5 HE2 TYR 5 4.634 10.851 -4.334
38 HH TYR 5 HH TYR 5 3.379 11.717 -6.234
39 H GLY 6 H GLY 6 3.067 4.377 -0.679
40 HA2 GLY 6 HA2 GLY 6 4.130 1.877 -1.753
41 HA3 GLY 6 HA3 GLY 6 3.952 2.293 -0.052
42 H GLN 7 H GLN 7 3.107 -0.134 -1.136
43 HA GLN 7 HA GLN 7 0.309 -0.047 -1.676
44 HB2 GLN 7 HB2 GLN 7 1.830 -1.810 -2.564
45 HB3 GLN 7 HB3 GLN 7 2.019 -2.427 -0.931
46 HG2 GLN 7 HG2 GLN 7 -0.324 -2.995 -0.829
47 HG3 GLN 7 HG3 GLN 7 -0.601 -2.262 -2.406
48 HE21 GLN 7 HE21 GLN 7 -1.144 -4.941 -1.605
49 HE22 GLN 7 HE22 GLN 7 -0.201 -5.968 -2.610
50 H CYS 8 H CYS 8 -1.177 0.334 -0.217
51 HA CYS 8 HA CYS 8 -0.596 0.127 2.612
52 HB2 CYS 8 HB2 CYS 8 -2.869 1.181 2.838
53 HB3 CYS 8 HB3 CYS 8 -1.644 2.122 1.997
54 H GLY 9 H GLY 9 -1.409 -2.232 0.737
55 HA2 GLY 9 HA2 GLY 9 -1.903 -4.190 2.299
56 HA3 GLY 9 HA3 GLY 9 -3.351 -3.280 2.691
57 H GLY 10 H GLY 10 -1.781 -5.300 0.501
58 HA2 GLY 10 HA2 GLY 10 -4.150 -5.356 -1.201
59 HA3 GLY 10 HA3 GLY 10 -2.579 -6.027 -1.623
60 H ILE 11 H ILE 11 -4.354 -7.749 -2.063
61 HA ILE 11 HA ILE 11 -5.083 -9.326 0.203
62 HB ILE 11 HB ILE 11 -5.007 -10.002 -2.753
63 HG12 ILE 11 HG12 ILE 11 -7.345 -9.235 -0.994
64 HG13 ILE 11 HG13 ILE 11 -6.573 -8.181 -2.174
65 HG21 ILE 11 HG21 ILE 11 -6.328 -11.501 -0.501
66 HG22 ILE 11 HG22 ILE 11 -4.874 -11.994 -1.374
67 HG23 ILE 11 HG23 ILE 11 -6.424 -11.894 -2.225
68 HD11 ILE 11 HD11 ILE 11 -8.654 -9.133 -3.027
69 HD12 ILE 11 HD12 ILE 11 -8.003 -10.754 -2.789
70 HD13 ILE 11 HD13 ILE 11 -7.264 -9.674 -3.967
71 H GLY 12 H GLY 12 -3.539 -10.278 1.346
72 HA2 GLY 12 HA2 GLY 12 -1.978 -12.047 1.573
73 HA3 GLY 12 HA3 GLY 12 -1.460 -11.744 -0.085
74 H TYR 13 H TYR 13 -1.877 -8.842 1.439
75 HA TYR 13 HA TYR 13 1.017 -8.528 1.760
76 HB2 TYR 13 HB2 TYR 13 -0.360 -6.915 0.352
77 HB3 TYR 13 HB3 TYR 13 -1.140 -6.411 1.839
78 HD1 TYR 13 HD1 TYR 13 2.062 -6.475 0.019
79 HD2 TYR 13 HD2 TYR 13 -0.088 -4.829 3.298
80 HE1 TYR 13 HE1 TYR 13 3.838 -4.811 0.340
81 HE2 TYR 13 HE2 TYR 13 1.687 -3.164 3.630
82 HH TYR 13 HH TYR 13 4.133 -2.647 1.311
83 H SER 14 H SER 14 1.908 -8.140 3.756
84 HA SER 14 HA SER 14 0.054 -8.097 6.018
85 HB2 SER 14 HB2 SER 14 1.949 -9.435 7.120
86 HB3 SER 14 HB3 SER 14 0.908 -10.255 5.951
87 HG SER 14 HG SER 14 3.528 -9.996 5.866
88 H GLY 15 H GLY 15 2.268 -6.268 4.453
89 HA2 GLY 15 HA2 GLY 15 3.827 -5.356 6.688
90 HA3 GLY 15 HA3 GLY 15 3.848 -4.701 5.057
91 HA PRO 16 HA PRO 16 1.918 -1.499 7.623
92 HB2 PRO 16 HB2 PRO 16 2.779 0.609 6.132
93 HB3 PRO 16 HB3 PRO 16 3.725 -0.149 7.403
94 HG2 PRO 16 HG2 PRO 16 3.947 -0.438 4.458
95 HG3 PRO 16 HG3 PRO 16 5.219 -0.466 5.684
96 HD2 PRO 16 HD2 PRO 16 4.153 -2.687 4.451
97 HD3 PRO 16 HD3 PRO 16 4.991 -2.709 6.013
98 H THR 17 H THR 17 -0.181 -1.474 7.369
99 HA THR 17 HA THR 17 -1.390 -0.980 4.754
100 HB THR 17 HB THR 17 -3.460 -1.697 6.044
101 HG1 THR 17 HG1 THR 17 -3.081 -2.727 7.985
102 HG21 THR 17 HG21 THR 17 -2.220 -3.195 4.538
103 HG22 THR 17 HG22 THR 17 -2.866 -4.061 5.930
104 HG23 THR 17 HG23 THR 17 -1.150 -3.644 5.868
105 H VAL 18 H VAL 18 -0.823 0.535 7.747
106 HA VAL 18 HA VAL 18 -2.908 2.530 7.348
107 HB VAL 18 HB VAL 18 -0.800 2.303 9.531
108 HG11 VAL 18 HG11 VAL 18 -2.166 3.932 10.764
109 HG12 VAL 18 HG12 VAL 18 -3.240 4.081 9.373
110 HG13 VAL 18 HG13 VAL 18 -1.562 4.607 9.249
111 HG21 VAL 18 HG21 VAL 18 -2.390 0.449 9.548
112 HG22 VAL 18 HG22 VAL 18 -3.733 1.592 9.583
113 HG23 VAL 18 HG23 VAL 18 -2.615 1.496 10.946
114 H CYS 19 H CYS 19 -2.514 4.450 6.403
115 HA CYS 19 HA CYS 19 0.075 4.775 5.161
116 HB2 CYS 19 HB2 CYS 19 -2.456 6.406 4.835
117 HB3 CYS 19 HB3 CYS 19 -1.007 6.469 3.828
118 H ALA 20 H ALA 20 1.289 6.664 5.236
119 HA ALA 20 HA ALA 20 1.570 7.844 7.779
120 HB1 ALA 20 HB1 ALA 20 2.755 8.695 5.140
121 HB2 ALA 20 HB2 ALA 20 3.448 7.502 6.236
122 HB3 ALA 20 HB3 ALA 20 3.316 9.191 6.737
123 H SER 21 H SER 21 1.553 10.166 8.212
124 HA SER 21 HA SER 21 -0.891 11.345 7.860
125 HB2 SER 21 HB2 SER 21 1.737 12.716 8.408
126 HB3 SER 21 HB3 SER 21 0.128 13.218 8.940
127 HG SER 21 HG SER 21 1.091 12.194 10.627
128 H GLY 22 H GLY 22 -1.738 12.207 6.092
129 HA2 GLY 22 HA2 GLY 22 -1.713 13.983 4.479
130 HA3 GLY 22 HA3 GLY 22 -0.002 13.673 4.237
131 H THR 23 H THR 23 -1.354 10.680 4.451
132 HA THR 23 HA THR 23 -1.917 10.653 1.575
133 HB THR 23 HB THR 23 -0.745 8.487 1.361
134 HG1 THR 23 HG1 THR 23 -0.323 8.880 4.146
135 HG21 THR 23 HG21 THR 23 0.514 10.527 0.931
136 HG22 THR 23 HG22 THR 23 1.553 9.289 1.642
137 HG23 THR 23 HG23 THR 23 0.957 10.621 2.635
138 H THR 24 H THR 24 -3.346 9.007 0.848
139 HA THR 24 HA THR 24 -4.979 7.803 2.977
140 HB THR 24 HB THR 24 -6.881 8.066 1.260
141 HG1 THR 24 HG1 THR 24 -4.808 9.412 -0.044
142 HG21 THR 24 HG21 THR 24 -6.771 9.415 3.313
143 HG22 THR 24 HG22 THR 24 -7.366 10.377 1.957
144 HG23 THR 24 HG23 THR 24 -5.700 10.562 2.502
145 H CYS 25 H CYS 25 -5.728 5.670 2.560
146 HA CYS 25 HA CYS 25 -4.125 4.231 0.652
147 HB2 CYS 25 HB2 CYS 25 -4.509 3.194 2.844
148 HB3 CYS 25 HB3 CYS 25 -6.253 3.258 2.580
149 H GLN 26 H GLN 26 -4.697 4.334 -1.392
150 HA GLN 26 HA GLN 26 -7.526 4.390 -2.122
151 HB2 GLN 26 HB2 GLN 26 -5.049 4.821 -3.804
152 HB3 GLN 26 HB3 GLN 26 -6.707 5.050 -4.335
153 HG2 GLN 26 HG2 GLN 26 -5.349 6.647 -2.170
154 HG3 GLN 26 HG3 GLN 26 -5.536 7.165 -3.841
155 HE21 GLN 26 HE21 GLN 26 -6.481 8.367 -1.373
156 HE22 GLN 26 HE22 GLN 26 -8.179 8.531 -1.564
157 H VAL 27 H VAL 27 -8.354 2.385 -2.460
158 HA VAL 27 HA VAL 27 -6.672 0.212 -3.296
159 HB VAL 27 HB VAL 27 -9.713 0.318 -3.098
160 HG11 VAL 27 HG11 VAL 27 -7.868 -2.056 -3.379
161 HG12 VAL 27 HG12 VAL 27 -8.946 -1.437 -4.626
162 HG13 VAL 27 HG13 VAL 27 -9.616 -2.135 -3.149
163 HG21 VAL 27 HG21 VAL 27 -9.415 -0.939 -1.028
164 HG22 VAL 27 HG22 VAL 27 -8.621 0.642 -0.942
165 HG23 VAL 27 HG23 VAL 27 -7.668 -0.816 -1.214
166 H LEU 28 H LEU 28 -5.843 0.658 -5.196
167 HA LEU 28 HA LEU 28 -7.340 1.825 -7.342
168 HB2 LEU 28 HB2 LEU 28 -4.648 0.475 -7.417
169 HB3 LEU 28 HB3 LEU 28 -5.318 1.508 -8.657
170 HG LEU 28 HG LEU 28 -4.439 2.361 -5.894
171 HD11 LEU 28 HD11 LEU 28 -3.303 2.960 -8.613
172 HD12 LEU 28 HD12 LEU 28 -2.637 1.840 -7.431
173 HD13 LEU 28 HD13 LEU 28 -2.698 3.566 -7.067
174 HD21 LEU 28 HD21 LEU 28 -5.541 3.999 -8.164
175 HD22 LEU 28 HD22 LEU 28 -4.841 4.627 -6.672
176 HD23 LEU 28 HD23 LEU 28 -6.341 3.694 -6.614
177 H ASN 29 H ASN 29 -6.183 -1.370 -6.447
178 HA ASN 29 HA ASN 29 -7.878 -2.547 -8.501
179 HB2 ASN 29 HB2 ASN 29 -4.955 -3.262 -8.069
180 HB3 ASN 29 HB3 ASN 29 -6.071 -4.113 -9.131
181 HD21 ASN 29 HD21 ASN 29 -4.004 -1.380 -8.753
182 HD22 ASN 29 HD22 ASN 29 -4.187 -0.769 -10.346
183 HA PRO 30 HA PRO 30 -9.089 -5.463 -5.399
184 HB2 PRO 30 HB2 PRO 30 -7.880 -7.702 -6.954
185 HB3 PRO 30 HB3 PRO 30 -9.510 -7.552 -6.280
186 HG2 PRO 30 HG2 PRO 30 -9.118 -7.221 -8.877
187 HG3 PRO 30 HG3 PRO 30 -10.229 -6.170 -7.984
188 HD2 PRO 30 HD2 PRO 30 -7.473 -5.612 -8.973
189 HD3 PRO 30 HD3 PRO 30 -8.878 -4.530 -8.912
190 H TYR 31 H TYR 31 -5.805 -6.189 -6.614
191 HA TYR 31 HA TYR 31 -5.113 -7.093 -3.907
192 HB2 TYR 31 HB2 TYR 31 -3.510 -7.371 -6.479
193 HB3 TYR 31 HB3 TYR 31 -3.077 -8.007 -4.908
194 HD1 TYR 31 HD1 TYR 31 -3.750 -10.143 -4.280
195 HD2 TYR 31 HD2 TYR 31 -5.673 -8.243 -7.555
196 HE1 TYR 31 HE1 TYR 31 -4.951 -12.231 -4.782
197 HE2 TYR 31 HE2 TYR 31 -6.865 -10.311 -8.070
198 HH TYR 31 HH TYR 31 -6.902 -12.993 -5.915
199 H TYR 32 H TYR 32 -4.544 -4.571 -6.255
200 HA TYR 32 HA TYR 32 -2.360 -3.630 -4.614
201 HB2 TYR 32 HB2 TYR 32 -1.950 -3.752 -7.039
202 HB3 TYR 32 HB3 TYR 32 -3.165 -2.498 -7.279
203 HD1 TYR 32 HD1 TYR 32 -2.477 -0.264 -7.302
204 HD2 TYR 32 HD2 TYR 32 -0.081 -3.170 -5.330
205 HE1 TYR 32 HE1 TYR 32 -0.783 1.451 -6.812
206 HE2 TYR 32 HE2 TYR 32 1.615 -1.471 -4.852
207 HH TYR 32 HH TYR 32 2.337 0.636 -5.635
208 H SER 33 H SER 33 -2.695 -2.322 -3.037
209 HA SER 33 HA SER 33 -4.618 -0.113 -3.344
210 HB2 SER 33 HB2 SER 33 -3.660 -1.480 -0.796
211 HB3 SER 33 HB3 SER 33 -4.839 -0.173 -0.887
212 HG SER 33 HG SER 33 -5.224 -2.800 -1.071
213 H GLN 34 H GLN 34 -3.662 1.970 -2.944
214 HA GLN 34 HA GLN 34 -0.824 1.920 -2.155
215 HB2 GLN 34 HB2 GLN 34 -0.969 1.987 -4.602
216 HB3 GLN 34 HB3 GLN 34 -1.981 3.417 -4.507
217 HG2 GLN 34 HG2 GLN 34 -0.183 4.688 -3.581
218 HG3 GLN 34 HG3 GLN 34 0.880 3.267 -3.551
219 HE21 GLN 34 HE21 GLN 34 2.408 4.069 -4.943
220 HE22 GLN 34 HE22 GLN 34 2.089 4.481 -6.589
221 H CYS 35 H CYS 35 -0.229 3.536 -0.769
222 HA CYS 35 HA CYS 35 -2.259 5.379 0.124
223 HB2 CYS 35 HB2 CYS 35 0.673 5.364 0.944
224 HB3 CYS 35 HB3 CYS 35 -0.653 6.239 1.676
225 H LEU 36 H LEU 36 -2.738 7.020 -1.007
226 HA LEU 36 HA LEU 36 -0.657 8.518 -2.381
227 HB2 LEU 36 HB2 LEU 36 -3.549 8.070 -3.131
228 HB3 LEU 36 HB3 LEU 36 -2.468 9.171 -3.966
229 HG LEU 36 HG LEU 36 -2.035 6.185 -3.775
230 HD11 LEU 36 HD11 LEU 36 -3.999 6.691 -5.127
231 HD12 LEU 36 HD12 LEU 36 -2.646 6.097 -6.088
232 HD13 LEU 36 HD13 LEU 36 -3.036 7.821 -6.092
233 HD21 LEU 36 HD21 LEU 36 0.027 7.417 -4.028
234 HD22 LEU 36 HD22 LEU 36 -0.657 8.326 -5.373
235 HD23 LEU 36 HD23 LEU 36 -0.379 6.593 -5.532
236 H2 BGC 101 H2 BGC 101 8.144 3.027 0.393
237 H3 BGC 101 H3 BGC 101 5.680 1.318 0.834
238 H4 BGC 101 H4 BGC 101 8.619 0.927 1.485
239 H5 BGC 101 H5 BGC 101 6.135 1.359 3.277
240 H6C1 BGC 101 H61 BGC 101 9.107 1.056 3.899
241 H6C2 BGC 101 H62 BGC 101 7.800 -0.007 4.441
242 H1 BGC 101 H1 BGC 101 5.601 3.363 1.993
243 HB BGC 101 HO2 BGC 101 6.575 4.407 -0.509
244 HC BGC 101 HO3 BGC 101 6.554 1.269 -1.305
245 HD BGC 101 HO4 BGC 101 7.388 -0.902 0.875
246 H6 BGC 101 HO6 BGC 101 7.490 1.275 6.066
Start of MODEL 14
1 H1 THR 1 H1 THR 1 3.537 0.938 9.120
2 H2 THR 1 H2 THR 1 3.509 1.953 10.478
3 H3 THR 1 H3 THR 1 4.871 1.904 9.481
4 HA THR 1 HA THR 1 2.229 2.888 8.696
5 HB THR 1 HB THR 1 4.766 4.484 9.134
6 HG1 THR 1 HG1 THR 1 3.223 5.056 11.084
7 HG21 THR 1 HG21 THR 1 3.016 5.519 7.753
8 HG22 THR 1 HG22 THR 1 3.140 6.350 9.306
9 HG23 THR 1 HG23 THR 1 1.829 5.207 9.016
10 H GLN 2 H GLN 2 2.115 3.503 6.525
11 HA GLN 2 HA GLN 2 4.322 2.592 4.824
12 HB2 GLN 2 HB2 GLN 2 2.118 1.360 4.746
13 HB3 GLN 2 HB3 GLN 2 1.393 2.837 4.180
14 HG2 GLN 2 HG2 GLN 2 1.829 1.171 2.398
15 HG3 GLN 2 HG3 GLN 2 2.563 2.741 2.113
16 HE21 GLN 2 HE21 GLN 2 3.112 -0.141 1.319
17 HE22 GLN 2 HE22 GLN 2 4.808 -0.354 1.570
18 H SER 3 H SER 3 5.267 4.035 3.601
19 HA SER 3 HA SER 3 4.529 6.758 3.667
20 HB2 SER 3 HB2 SER 3 6.529 7.167 2.417
21 HB3 SER 3 HB3 SER 3 6.894 5.918 3.592
22 H HIS 4 H HIS 4 4.574 8.028 1.591
23 HA HIS 4 HA HIS 4 2.289 7.561 0.062
24 HB2 HIS 4 HB2 HIS 4 3.549 9.749 0.580
25 HB3 HIS 4 HB3 HIS 4 4.618 9.314 -0.738
26 HD1 HIS 4 HD1 HIS 4 3.909 11.388 -2.085
27 HD2 HIS 4 HD2 HIS 4 0.777 8.857 -1.149
28 HE1 HIS 4 HE1 HIS 4 1.936 12.244 -3.382
29 HE2 HIS 4 HE2 HIS 4 0.033 10.945 -2.444
30 H TYR 5 H TYR 5 1.951 6.540 -1.855
31 HA TYR 5 HA TYR 5 2.182 5.372 -3.691
32 HB2 TYR 5 HB2 TYR 5 5.051 6.300 -3.723
33 HB3 TYR 5 HB3 TYR 5 4.392 5.229 -4.940
34 HD1 TYR 5 HD1 TYR 5 4.532 8.665 -3.766
35 HD2 TYR 5 HD2 TYR 5 2.596 6.002 -6.446
36 HE1 TYR 5 HE1 TYR 5 3.670 10.577 -5.048
37 HE2 TYR 5 HE2 TYR 5 1.731 7.904 -7.729
38 HH TYR 5 HH TYR 5 1.241 10.249 -7.422
39 H GLY 6 H GLY 6 3.204 4.415 -0.879
40 HA2 GLY 6 HA2 GLY 6 4.394 1.919 -1.732
41 HA3 GLY 6 HA3 GLY 6 4.057 2.418 -0.076
42 H GLN 7 H GLN 7 3.438 -0.099 -1.352
43 HA GLN 7 HA GLN 7 0.643 -0.175 -1.855
44 HB2 GLN 7 HB2 GLN 7 2.208 -1.877 -2.734
45 HB3 GLN 7 HB3 GLN 7 2.549 -2.400 -1.095
46 HG2 GLN 7 HG2 GLN 7 0.227 -3.141 -0.846
47 HG3 GLN 7 HG3 GLN 7 -0.120 -2.600 -2.485
48 HE21 GLN 7 HE21 GLN 7 -0.708 -4.810 -3.123
49 HE22 GLN 7 HE22 GLN 7 0.555 -5.922 -3.405
50 H CYS 8 H CYS 8 -0.820 0.183 -0.384
51 HA CYS 8 HA CYS 8 -0.130 0.092 2.448
52 HB2 CYS 8 HB2 CYS 8 -2.300 1.278 2.737
53 HB3 CYS 8 HB3 CYS 8 -1.120 2.121 1.741
54 H GLY 9 H GLY 9 -1.114 -2.226 0.604
55 HA2 GLY 9 HA2 GLY 9 -1.721 -4.247 1.894
56 HA3 GLY 9 HA3 GLY 9 -2.847 -3.220 2.762
57 H GLY 10 H GLY 10 -2.180 -4.864 -0.176
58 HA2 GLY 10 HA2 GLY 10 -4.995 -4.645 -0.951
59 HA3 GLY 10 HA3 GLY 10 -3.669 -5.322 -1.916
60 H ILE 11 H ILE 11 -5.684 -6.993 -1.783
61 HA ILE 11 HA ILE 11 -5.837 -8.627 0.490
62 HB ILE 11 HB ILE 11 -6.215 -9.440 -2.415
63 HG12 ILE 11 HG12 ILE 11 -8.265 -8.545 -0.368
64 HG13 ILE 11 HG13 ILE 11 -7.667 -7.557 -1.697
65 HG21 ILE 11 HG21 ILE 11 -7.602 -11.268 -1.507
66 HG22 ILE 11 HG22 ILE 11 -7.156 -10.775 0.129
67 HG23 ILE 11 HG23 ILE 11 -5.924 -11.383 -0.975
68 HD11 ILE 11 HD11 ILE 11 -9.229 -10.119 -1.955
69 HD12 ILE 11 HD12 ILE 11 -8.632 -9.141 -3.295
70 HD13 ILE 11 HD13 ILE 11 -9.853 -8.488 -2.203
71 H GLY 12 H GLY 12 -4.215 -9.715 1.437
72 HA2 GLY 12 HA2 GLY 12 -2.764 -11.625 1.334
73 HA3 GLY 12 HA3 GLY 12 -2.357 -11.168 -0.313
74 H TYR 13 H TYR 13 -2.291 -8.294 0.981
75 HA TYR 13 HA TYR 13 0.557 -8.521 1.615
76 HB2 TYR 13 HB2 TYR 13 -0.192 -6.905 -0.163
77 HB3 TYR 13 HB3 TYR 13 -1.077 -6.025 1.071
78 HD1 TYR 13 HD1 TYR 13 0.094 -4.539 2.610
79 HD2 TYR 13 HD2 TYR 13 2.254 -6.936 -0.161
80 HE1 TYR 13 HE1 TYR 13 2.115 -3.249 3.080
81 HE2 TYR 13 HE2 TYR 13 4.289 -5.648 0.307
82 HH TYR 13 HH TYR 13 4.901 -3.406 1.164
83 H SER 14 H SER 14 1.162 -8.480 3.698
84 HA SER 14 HA SER 14 -0.716 -7.303 5.607
85 HB2 SER 14 HB2 SER 14 0.183 -9.084 7.192
86 HB3 SER 14 HB3 SER 14 -0.875 -9.641 5.896
87 HG SER 14 HG SER 14 0.653 -10.843 5.253
88 H GLY 15 H GLY 15 1.737 -6.248 4.246
89 HA2 GLY 15 HA2 GLY 15 3.623 -5.829 6.411
90 HA3 GLY 15 HA3 GLY 15 3.700 -5.128 4.800
91 HA PRO 16 HA PRO 16 2.478 -1.628 7.431
92 HB2 PRO 16 HB2 PRO 16 3.473 0.319 5.769
93 HB3 PRO 16 HB3 PRO 16 4.445 -0.520 6.973
94 HG2 PRO 16 HG2 PRO 16 4.290 -0.960 4.036
95 HG3 PRO 16 HG3 PRO 16 5.685 -1.072 5.120
96 HD2 PRO 16 HD2 PRO 16 4.297 -3.232 4.160
97 HD3 PRO 16 HD3 PRO 16 5.226 -3.237 5.668
98 H THR 17 H THR 17 0.332 -1.470 7.285
99 HA THR 17 HA THR 17 -0.894 -1.041 4.684
100 HB THR 17 HB THR 17 -2.985 -1.734 5.955
101 HG1 THR 17 HG1 THR 17 -2.775 -2.104 8.001
102 HG21 THR 17 HG21 THR 17 -1.733 -3.261 4.464
103 HG22 THR 17 HG22 THR 17 -2.390 -4.125 5.855
104 HG23 THR 17 HG23 THR 17 -0.681 -3.697 5.805
105 H VAL 18 H VAL 18 -0.320 0.546 7.669
106 HA VAL 18 HA VAL 18 -2.489 2.444 7.275
107 HB VAL 18 HB VAL 18 -0.430 2.245 9.482
108 HG11 VAL 18 HG11 VAL 18 -1.104 4.555 9.205
109 HG12 VAL 18 HG12 VAL 18 -1.817 3.901 10.682
110 HG13 VAL 18 HG13 VAL 18 -2.806 4.092 9.232
111 HG21 VAL 18 HG21 VAL 18 -3.359 1.578 9.407
112 HG22 VAL 18 HG22 VAL 18 -2.341 1.550 10.844
113 HG23 VAL 18 HG23 VAL 18 -2.023 0.429 9.516
114 H CYS 19 H CYS 19 -2.162 4.082 5.988
115 HA CYS 19 HA CYS 19 0.447 4.857 5.139
116 HB2 CYS 19 HB2 CYS 19 -2.188 6.252 4.635
117 HB3 CYS 19 HB3 CYS 19 -0.690 6.407 3.713
118 H ALA 20 H ALA 20 1.480 6.781 5.524
119 HA ALA 20 HA ALA 20 1.220 7.973 8.065
120 HB1 ALA 20 HB1 ALA 20 2.810 9.645 7.245
121 HB2 ALA 20 HB2 ALA 20 2.570 9.074 5.593
122 HB3 ALA 20 HB3 ALA 20 3.322 8.018 6.790
123 H SER 21 H SER 21 0.273 9.926 8.708
124 HA SER 21 HA SER 21 -2.089 10.595 7.402
125 HB2 SER 21 HB2 SER 21 -0.543 12.137 9.485
126 HB3 SER 21 HB3 SER 21 -2.249 12.366 9.073
127 HG SER 21 HG SER 21 -2.366 9.983 9.535
128 H GLY 22 H GLY 22 -2.549 11.952 5.860
129 HA2 GLY 22 HA2 GLY 22 -2.049 14.057 4.693
130 HA3 GLY 22 HA3 GLY 22 -0.352 13.561 4.750
131 H THR 23 H THR 23 -1.408 10.717 4.433
132 HA THR 23 HA THR 23 -2.057 10.798 1.575
133 HB THR 23 HB THR 23 -0.676 8.767 1.249
134 HG1 THR 23 HG1 THR 23 -0.266 9.017 4.046
135 HG21 THR 23 HG21 THR 23 1.554 9.736 1.542
136 HG22 THR 23 HG22 THR 23 0.878 10.971 2.604
137 HG23 THR 23 HG23 THR 23 0.418 10.923 0.902
138 H THR 24 H THR 24 -3.452 9.035 0.928
139 HA THR 24 HA THR 24 -4.715 7.648 3.200
140 HB THR 24 HB THR 24 -6.844 7.746 1.822
141 HG1 THR 24 HG1 THR 24 -5.116 9.239 0.194
142 HG21 THR 24 HG21 THR 24 -6.515 9.228 3.750
143 HG22 THR 24 HG22 THR 24 -7.378 10.072 2.463
144 HG23 THR 24 HG23 THR 24 -5.660 10.378 2.725
145 H CYS 25 H CYS 25 -5.303 5.465 2.845
146 HA CYS 25 HA CYS 25 -3.813 4.162 0.788
147 HB2 CYS 25 HB2 CYS 25 -4.125 3.064 2.941
148 HB3 CYS 25 HB3 CYS 25 -5.874 3.053 2.723
149 H GLN 26 H GLN 26 -4.415 4.075 -1.237
150 HA GLN 26 HA GLN 26 -7.257 4.210 -1.886
151 HB2 GLN 26 HB2 GLN 26 -4.806 4.728 -3.570
152 HB3 GLN 26 HB3 GLN 26 -6.463 4.815 -4.149
153 HG2 GLN 26 HG2 GLN 26 -5.292 6.530 -1.977
154 HG3 GLN 26 HG3 GLN 26 -5.527 7.016 -3.653
155 HE21 GLN 26 HE21 GLN 26 -6.626 8.041 -1.150
156 HE22 GLN 26 HE22 GLN 26 -8.334 8.033 -1.375
157 H VAL 27 H VAL 27 -8.133 2.331 -2.253
158 HA VAL 27 HA VAL 27 -6.576 0.056 -3.038
159 HB VAL 27 HB VAL 27 -9.604 0.363 -2.951
160 HG11 VAL 27 HG11 VAL 27 -7.888 -2.120 -3.018
161 HG12 VAL 27 HG12 VAL 27 -8.824 -1.489 -4.361
162 HG13 VAL 27 HG13 VAL 27 -9.653 -2.088 -2.917
163 HG21 VAL 27 HG21 VAL 27 -9.486 -0.793 -0.783
164 HG22 VAL 27 HG22 VAL 27 -8.614 0.738 -0.742
165 HG23 VAL 27 HG23 VAL 27 -7.725 -0.777 -0.874
166 H LEU 28 H LEU 28 -5.774 0.148 -4.968
167 HA LEU 28 HA LEU 28 -7.189 1.471 -7.137
168 HB2 LEU 28 HB2 LEU 28 -4.454 0.195 -7.045
169 HB3 LEU 28 HB3 LEU 28 -5.105 1.084 -8.405
170 HG LEU 28 HG LEU 28 -4.516 2.278 -5.686
171 HD11 LEU 28 HD11 LEU 28 -2.495 1.627 -6.826
172 HD12 LEU 28 HD12 LEU 28 -2.659 3.385 -6.826
173 HD13 LEU 28 HD13 LEU 28 -3.017 2.461 -8.289
174 HD21 LEU 28 HD21 LEU 28 -5.286 3.533 -8.300
175 HD22 LEU 28 HD22 LEU 28 -4.806 4.400 -6.840
176 HD23 LEU 28 HD23 LEU 28 -6.303 3.450 -6.852
177 H ASN 29 H ASN 29 -5.866 -1.675 -6.288
178 HA ASN 29 HA ASN 29 -7.659 -2.947 -8.212
179 HB2 ASN 29 HB2 ASN 29 -4.740 -3.742 -7.731
180 HB3 ASN 29 HB3 ASN 29 -5.873 -4.615 -8.733
181 HD21 ASN 29 HD21 ASN 29 -5.089 -1.169 -8.643
182 HD22 ASN 29 HD22 ASN 29 -4.527 -1.050 -10.268
183 HA PRO 30 HA PRO 30 -8.595 -5.556 -4.697
184 HB2 PRO 30 HB2 PRO 30 -7.541 -8.014 -5.992
185 HB3 PRO 30 HB3 PRO 30 -9.146 -7.700 -5.324
186 HG2 PRO 30 HG2 PRO 30 -8.776 -7.775 -7.950
187 HG3 PRO 30 HG3 PRO 30 -9.862 -6.582 -7.218
188 HD2 PRO 30 HD2 PRO 30 -7.082 -6.233 -8.258
189 HD3 PRO 30 HD3 PRO 30 -8.479 -5.146 -8.414
190 H TYR 31 H TYR 31 -5.465 -6.482 -6.137
191 HA TYR 31 HA TYR 31 -4.540 -7.107 -3.426
192 HB2 TYR 31 HB2 TYR 31 -3.129 -7.714 -6.048
193 HB3 TYR 31 HB3 TYR 31 -2.726 -8.326 -4.459
194 HD1 TYR 31 HD1 TYR 31 -5.029 -8.668 -7.312
195 HD2 TYR 31 HD2 TYR 31 -4.030 -10.133 -3.448
196 HE1 TYR 31 HE1 TYR 31 -6.424 -10.640 -7.709
197 HE2 TYR 31 HE2 TYR 31 -5.427 -12.109 -3.837
198 HH TYR 31 HH TYR 31 -7.279 -12.744 -5.187
199 H TYR 32 H TYR 32 -4.102 -4.881 -6.071
200 HA TYR 32 HA TYR 32 -1.840 -3.725 -4.668
201 HB2 TYR 32 HB2 TYR 32 -1.648 -4.018 -7.139
202 HB3 TYR 32 HB3 TYR 32 -2.911 -2.805 -7.338
203 HD1 TYR 32 HD1 TYR 32 -2.268 -0.555 -7.582
204 HD2 TYR 32 HD2 TYR 32 0.342 -3.287 -5.627
205 HE1 TYR 32 HE1 TYR 32 -0.578 1.217 -7.357
206 HE2 TYR 32 HE2 TYR 32 2.040 -1.536 -5.406
207 HH TYR 32 HH TYR 32 2.652 0.565 -6.485
208 H SER 33 H SER 33 -2.159 -2.282 -3.161
209 HA SER 33 HA SER 33 -4.182 -0.208 -3.574
210 HB2 SER 33 HB2 SER 33 -3.325 -1.483 -0.952
211 HB3 SER 33 HB3 SER 33 -4.536 -0.218 -1.136
212 HG SER 33 HG SER 33 -5.272 -2.481 -0.935
213 H GLN 34 H GLN 34 -3.365 1.897 -3.005
214 HA GLN 34 HA GLN 34 -0.526 1.980 -2.246
215 HB2 GLN 34 HB2 GLN 34 -0.462 2.041 -4.635
216 HB3 GLN 34 HB3 GLN 34 -1.768 3.211 -4.702
217 HG2 GLN 34 HG2 GLN 34 -0.328 4.913 -3.767
218 HG3 GLN 34 HG3 GLN 34 0.966 3.729 -3.581
219 HE21 GLN 34 HE21 GLN 34 2.187 3.186 -5.331
220 HE22 GLN 34 HE22 GLN 34 2.041 3.927 -6.868
221 H CYS 35 H CYS 35 0.012 3.656 -0.920
222 HA CYS 35 HA CYS 35 -2.091 5.344 0.083
223 HB2 CYS 35 HB2 CYS 35 0.875 5.669 0.654
224 HB3 CYS 35 HB3 CYS 35 -0.489 6.340 1.518
225 H LEU 36 H LEU 36 -2.776 7.042 -0.887
226 HA LEU 36 HA LEU 36 -0.915 8.737 -2.345
227 HB2 LEU 36 HB2 LEU 36 -3.754 8.003 -3.026
228 HB3 LEU 36 HB3 LEU 36 -2.883 9.320 -3.787
229 HG LEU 36 HG LEU 36 -2.009 6.432 -3.893
230 HD11 LEU 36 HD11 LEU 36 -4.102 6.730 -5.084
231 HD12 LEU 36 HD12 LEU 36 -2.768 6.496 -6.219
232 HD13 LEU 36 HD13 LEU 36 -3.425 8.110 -5.942
233 HD21 LEU 36 HD21 LEU 36 -0.517 7.243 -5.671
234 HD22 LEU 36 HD22 LEU 36 -0.167 8.002 -4.125
235 HD23 LEU 36 HD23 LEU 36 -1.057 8.893 -5.362
236 H2 BGC 101 H2 BGC 101 8.362 3.512 0.467
237 H3 BGC 101 H3 BGC 101 6.156 1.503 1.025
238 H4 BGC 101 H4 BGC 101 9.112 1.659 1.671
239 H5 BGC 101 H5 BGC 101 6.607 1.788 3.471
240 H6C1 BGC 101 H61 BGC 101 9.574 2.146 4.040
241 H6C2 BGC 101 H62 BGC 101 8.550 0.829 4.645
242 H1 BGC 101 H1 BGC 101 5.746 3.611 1.974
243 HB BGC 101 HO2 BGC 101 6.694 4.610 -0.573
244 HC BGC 101 HO3 BGC 101 7.036 1.397 -1.121
245 HD BGC 101 HO4 BGC 101 8.711 -0.277 2.767
246 H6 BGC 101 HO6 BGC 101 8.490 3.609 5.297
Start of MODEL 15
1 H1 THR 1 H1 THR 1 4.598 2.591 10.503
2 H2 THR 1 H2 THR 1 5.779 2.817 9.316
3 H3 THR 1 H3 THR 1 4.704 1.518 9.198
4 HA THR 1 HA THR 1 2.885 3.014 8.878
5 HB THR 1 HB THR 1 4.981 5.216 9.007
6 HG1 THR 1 HG1 THR 1 2.994 5.095 10.915
7 HG21 THR 1 HG21 THR 1 2.983 5.721 7.638
8 HG22 THR 1 HG22 THR 1 3.014 6.694 9.105
9 HG23 THR 1 HG23 THR 1 1.952 5.291 9.000
10 H GLN 2 H GLN 2 2.330 3.406 6.698
11 HA GLN 2 HA GLN 2 4.394 2.607 4.830
12 HB2 GLN 2 HB2 GLN 2 2.145 1.463 4.947
13 HB3 GLN 2 HB3 GLN 2 1.439 2.950 4.380
14 HG2 GLN 2 HG2 GLN 2 1.697 1.243 2.599
15 HG3 GLN 2 HG3 GLN 2 2.509 2.763 2.255
16 HE21 GLN 2 HE21 GLN 2 2.889 -0.157 1.442
17 HE22 GLN 2 HE22 GLN 2 4.571 -0.432 1.657
18 H SER 3 H SER 3 5.445 4.005 3.718
19 HA SER 3 HA SER 3 4.975 6.728 3.670
20 HB2 SER 3 HB2 SER 3 6.801 6.860 2.072
21 HB3 SER 3 HB3 SER 3 7.198 5.764 3.379
22 H HIS 4 H HIS 4 4.684 8.124 1.848
23 HA HIS 4 HA HIS 4 2.320 7.711 0.406
24 HB2 HIS 4 HB2 HIS 4 3.416 9.929 0.992
25 HB3 HIS 4 HB3 HIS 4 4.558 9.631 -0.309
26 HD1 HIS 4 HD1 HIS 4 3.658 11.865 -1.435
27 HD2 HIS 4 HD2 HIS 4 0.836 8.844 -1.080
28 HE1 HIS 4 HE1 HIS 4 1.712 12.605 -2.792
29 HE2 HIS 4 HE2 HIS 4 -0.076 10.981 -2.137
30 H TYR 5 H TYR 5 1.898 6.717 -1.464
31 HA TYR 5 HA TYR 5 2.043 5.694 -3.375
32 HB2 TYR 5 HB2 TYR 5 4.892 6.697 -3.548
33 HB3 TYR 5 HB3 TYR 5 4.181 5.660 -4.781
34 HD1 TYR 5 HD1 TYR 5 2.065 6.483 -5.941
35 HD2 TYR 5 HD2 TYR 5 4.547 9.023 -3.615
36 HE1 TYR 5 HE1 TYR 5 1.072 8.444 -7.037
37 HE2 TYR 5 HE2 TYR 5 3.564 10.993 -4.703
38 HH TYR 5 HH TYR 5 2.396 11.516 -6.833
39 H GLY 6 H GLY 6 3.118 4.631 -0.665
40 HA2 GLY 6 HA2 GLY 6 4.366 2.204 -1.606
41 HA3 GLY 6 HA3 GLY 6 3.950 2.607 0.056
42 H GLN 7 H GLN 7 3.429 0.139 -1.439
43 HA GLN 7 HA GLN 7 0.642 0.017 -1.987
44 HB2 GLN 7 HB2 GLN 7 2.416 -1.620 -2.828
45 HB3 GLN 7 HB3 GLN 7 2.422 -2.319 -1.210
46 HG2 GLN 7 HG2 GLN 7 0.003 -2.827 -1.484
47 HG3 GLN 7 HG3 GLN 7 0.100 -2.217 -3.132
48 HE21 GLN 7 HE21 GLN 7 -0.694 -4.869 -2.418
49 HE22 GLN 7 HE22 GLN 7 0.479 -5.938 -3.040
50 H CYS 8 H CYS 8 -0.810 0.378 -0.449
51 HA CYS 8 HA CYS 8 -0.114 0.082 2.345
52 HB2 CYS 8 HB2 CYS 8 -2.314 1.131 2.775
53 HB3 CYS 8 HB3 CYS 8 -1.256 2.082 1.743
54 H GLY 9 H GLY 9 -1.049 -2.132 0.326
55 HA2 GLY 9 HA2 GLY 9 -1.391 -4.305 1.305
56 HA3 GLY 9 HA3 GLY 9 -2.398 -3.540 2.520
57 H GLY 10 H GLY 10 -2.222 -5.046 -0.477
58 HA2 GLY 10 HA2 GLY 10 -5.103 -4.758 -0.914
59 HA3 GLY 10 HA3 GLY 10 -3.910 -5.466 -2.015
60 H ILE 11 H ILE 11 -5.623 -7.249 -1.916
61 HA ILE 11 HA ILE 11 -5.779 -8.870 0.379
62 HB ILE 11 HB ILE 11 -6.108 -9.602 -2.548
63 HG12 ILE 11 HG12 ILE 11 -8.170 -9.029 -0.405
64 HG13 ILE 11 HG13 ILE 11 -7.696 -7.936 -1.701
65 HG21 ILE 11 HG21 ILE 11 -6.857 -11.217 -0.110
66 HG22 ILE 11 HG22 ILE 11 -5.571 -11.576 -1.265
67 HG23 ILE 11 HG23 ILE 11 -7.257 -11.622 -1.786
68 HD11 ILE 11 HD11 ILE 11 -8.573 -9.508 -3.349
69 HD12 ILE 11 HD12 ILE 11 -9.805 -9.032 -2.180
70 HD13 ILE 11 HD13 ILE 11 -9.032 -10.613 -2.053
71 H GLY 12 H GLY 12 -4.147 -9.862 1.349
72 HA2 GLY 12 HA2 GLY 12 -2.598 -11.722 1.263
73 HA3 GLY 12 HA3 GLY 12 -2.155 -11.192 -0.352
74 H TYR 13 H TYR 13 -2.247 -8.366 0.710
75 HA TYR 13 HA TYR 13 0.508 -8.406 1.722
76 HB2 TYR 13 HB2 TYR 13 -0.019 -7.119 -0.382
77 HB3 TYR 13 HB3 TYR 13 -1.071 -6.082 0.563
78 HD1 TYR 13 HD1 TYR 13 2.231 -6.609 -0.641
79 HD2 TYR 13 HD2 TYR 13 0.086 -4.766 2.541
80 HE1 TYR 13 HE1 TYR 13 4.174 -5.184 -0.142
81 HE2 TYR 13 HE2 TYR 13 2.014 -3.347 3.031
82 HH TYR 13 HH TYR 13 4.716 -3.062 0.960
83 H SER 14 H SER 14 0.452 -8.473 3.882
84 HA SER 14 HA SER 14 -1.549 -6.839 5.253
85 HB2 SER 14 HB2 SER 14 -0.225 -9.347 6.062
86 HB3 SER 14 HB3 SER 14 -1.402 -8.477 7.053
87 HG SER 14 HG SER 14 -2.524 -8.791 4.706
88 H GLY 15 H GLY 15 1.440 -6.366 4.411
89 HA2 GLY 15 HA2 GLY 15 2.767 -6.027 6.935
90 HA3 GLY 15 HA3 GLY 15 3.342 -5.502 5.368
91 HA PRO 16 HA PRO 16 2.456 -1.514 7.199
92 HB2 PRO 16 HB2 PRO 16 3.410 -0.051 5.053
93 HB3 PRO 16 HB3 PRO 16 4.420 -0.668 6.361
94 HG2 PRO 16 HG2 PRO 16 3.957 -1.771 3.635
95 HG3 PRO 16 HG3 PRO 16 5.451 -1.710 4.574
96 HD2 PRO 16 HD2 PRO 16 3.972 -3.957 4.331
97 HD3 PRO 16 HD3 PRO 16 4.914 -3.589 5.790
98 H THR 17 H THR 17 0.337 -1.389 7.204
99 HA THR 17 HA THR 17 -1.091 -0.969 4.702
100 HB THR 17 HB THR 17 -3.094 -1.756 6.143
101 HG1 THR 17 HG1 THR 17 -1.020 -2.975 7.632
102 HG21 THR 17 HG21 THR 17 -2.543 -4.126 5.750
103 HG22 THR 17 HG22 THR 17 -0.849 -3.687 5.498
104 HG23 THR 17 HG23 THR 17 -2.076 -3.120 4.376
105 H VAL 18 H VAL 18 -0.286 0.457 7.722
106 HA VAL 18 HA VAL 18 -2.403 2.446 7.579
107 HB VAL 18 HB VAL 18 -0.087 2.219 9.536
108 HG11 VAL 18 HG11 VAL 18 -1.373 3.784 10.938
109 HG12 VAL 18 HG12 VAL 18 -2.561 3.940 9.642
110 HG13 VAL 18 HG13 VAL 18 -0.907 4.500 9.396
111 HG21 VAL 18 HG21 VAL 18 -1.593 0.317 9.733
112 HG22 VAL 18 HG22 VAL 18 -2.972 1.408 9.855
113 HG23 VAL 18 HG23 VAL 18 -1.760 1.382 11.132
114 H CYS 19 H CYS 19 -2.139 4.097 6.300
115 HA CYS 19 HA CYS 19 0.399 4.741 5.146
116 HB2 CYS 19 HB2 CYS 19 -2.275 6.092 4.829
117 HB3 CYS 19 HB3 CYS 19 -0.854 6.335 3.818
118 H ALA 20 H ALA 20 1.388 6.770 5.148
119 HA ALA 20 HA ALA 20 1.669 7.983 7.673
120 HB1 ALA 20 HB1 ALA 20 2.618 8.965 4.985
121 HB2 ALA 20 HB2 ALA 20 3.481 7.836 6.030
122 HB3 ALA 20 HB3 ALA 20 3.213 9.497 6.557
123 H SER 21 H SER 21 1.572 10.349 7.976
124 HA SER 21 HA SER 21 -1.061 11.270 7.868
125 HB2 SER 21 HB2 SER 21 1.483 12.834 8.322
126 HB3 SER 21 HB3 SER 21 -0.140 13.362 8.764
127 HG SER 21 HG SER 21 1.236 11.078 9.763
128 H GLY 22 H GLY 22 -2.165 12.060 6.202
129 HA2 GLY 22 HA2 GLY 22 -2.482 13.788 4.606
130 HA3 GLY 22 HA3 GLY 22 -0.761 13.728 4.239
131 H THR 23 H THR 23 -1.517 10.609 4.513
132 HA THR 23 HA THR 23 -2.277 10.451 1.694
133 HB THR 23 HB THR 23 -0.910 8.439 1.439
134 HG1 THR 23 HG1 THR 23 -0.430 8.859 4.214
135 HG21 THR 23 HG21 THR 23 0.611 10.699 2.697
136 HG22 THR 23 HG22 THR 23 0.140 10.577 1.001
137 HG23 THR 23 HG23 THR 23 1.307 9.437 1.684
138 H THR 24 H THR 24 -3.563 8.736 1.070
139 HA THR 24 HA THR 24 -4.984 7.415 3.253
140 HB THR 24 HB THR 24 -7.012 7.640 1.746
141 HG1 THR 24 HG1 THR 24 -5.116 9.067 0.222
142 HG21 THR 24 HG21 THR 24 -5.748 10.171 2.815
143 HG22 THR 24 HG22 THR 24 -6.723 9.031 3.744
144 HG23 THR 24 HG23 THR 24 -7.456 9.966 2.444
145 H CYS 25 H CYS 25 -5.495 5.289 2.900
146 HA CYS 25 HA CYS 25 -3.986 3.933 0.892
147 HB2 CYS 25 HB2 CYS 25 -4.279 2.949 3.127
148 HB3 CYS 25 HB3 CYS 25 -6.017 2.870 2.863
149 H GLN 26 H GLN 26 -4.646 4.024 -1.130
150 HA GLN 26 HA GLN 26 -7.504 3.825 -1.689
151 HB2 GLN 26 HB2 GLN 26 -5.215 4.690 -3.456
152 HB3 GLN 26 HB3 GLN 26 -6.915 4.688 -3.903
153 HG2 GLN 26 HG2 GLN 26 -5.653 6.341 -1.735
154 HG3 GLN 26 HG3 GLN 26 -6.156 6.929 -3.315
155 HE21 GLN 26 HE21 GLN 26 -6.987 7.728 -0.668
156 HE22 GLN 26 HE22 GLN 26 -8.709 7.543 -0.641
157 H VAL 27 H VAL 27 -8.131 1.815 -2.084
158 HA VAL 27 HA VAL 27 -6.324 -0.201 -2.995
159 HB VAL 27 HB VAL 27 -9.365 -0.251 -2.837
160 HG11 VAL 27 HG11 VAL 27 -8.490 -2.003 -4.288
161 HG12 VAL 27 HG12 VAL 27 -9.135 -2.689 -2.794
162 HG13 VAL 27 HG13 VAL 27 -7.393 -2.530 -3.010
163 HG21 VAL 27 HG21 VAL 27 -8.390 0.201 -0.657
164 HG22 VAL 27 HG22 VAL 27 -7.308 -1.175 -0.834
165 HG23 VAL 27 HG23 VAL 27 -9.050 -1.435 -0.704
166 H LEU 28 H LEU 28 -5.521 0.164 -4.941
167 HA LEU 28 HA LEU 28 -7.010 1.432 -7.063
168 HB2 LEU 28 HB2 LEU 28 -4.227 0.296 -6.926
169 HB3 LEU 28 HB3 LEU 28 -4.863 1.124 -8.326
170 HG LEU 28 HG LEU 28 -4.479 2.376 -5.595
171 HD11 LEU 28 HD11 LEU 28 -2.668 3.612 -6.680
172 HD12 LEU 28 HD12 LEU 28 -2.905 2.667 -8.150
173 HD13 LEU 28 HD13 LEU 28 -2.361 1.879 -6.668
174 HD21 LEU 28 HD21 LEU 28 -5.226 3.548 -8.246
175 HD22 LEU 28 HD22 LEU 28 -4.916 4.463 -6.765
176 HD23 LEU 28 HD23 LEU 28 -6.316 3.378 -6.862
177 H ASN 29 H ASN 29 -5.892 -1.738 -6.229
178 HA ASN 29 HA ASN 29 -7.540 -2.962 -8.279
179 HB2 ASN 29 HB2 ASN 29 -4.608 -3.655 -7.793
180 HB3 ASN 29 HB3 ASN 29 -5.704 -4.533 -8.832
181 HD21 ASN 29 HD21 ASN 29 -3.795 -1.684 -8.480
182 HD22 ASN 29 HD22 ASN 29 -3.828 -1.183 -10.127
183 HA PRO 30 HA PRO 30 -8.542 -5.648 -4.884
184 HB2 PRO 30 HB2 PRO 30 -7.440 -8.007 -6.345
185 HB3 PRO 30 HB3 PRO 30 -9.023 -7.792 -5.588
186 HG2 PRO 30 HG2 PRO 30 -8.812 -7.645 -8.211
187 HG3 PRO 30 HG3 PRO 30 -9.829 -6.486 -7.335
188 HD2 PRO 30 HD2 PRO 30 -7.092 -6.099 -8.488
189 HD3 PRO 30 HD3 PRO 30 -8.484 -4.994 -8.492
190 H TYR 31 H TYR 31 -5.302 -6.283 -6.225
191 HA TYR 31 HA TYR 31 -4.486 -7.062 -3.508
192 HB2 TYR 31 HB2 TYR 31 -3.010 -7.532 -6.105
193 HB3 TYR 31 HB3 TYR 31 -2.594 -8.168 -4.521
194 HD1 TYR 31 HD1 TYR 31 -4.001 -9.931 -3.500
195 HD2 TYR 31 HD2 TYR 31 -4.709 -8.565 -7.449
196 HE1 TYR 31 HE1 TYR 31 -5.377 -11.904 -3.930
197 HE2 TYR 31 HE2 TYR 31 -6.092 -10.538 -7.889
198 HH TYR 31 HH TYR 31 -7.140 -12.565 -5.386
199 H TYR 32 H TYR 32 -4.003 -4.772 -6.081
200 HA TYR 32 HA TYR 32 -1.745 -3.625 -4.667
201 HB2 TYR 32 HB2 TYR 32 -1.598 -3.915 -7.123
202 HB3 TYR 32 HB3 TYR 32 -2.917 -2.769 -7.308
203 HD1 TYR 32 HD1 TYR 32 -2.317 -0.598 -7.877
204 HD2 TYR 32 HD2 TYR 32 0.363 -2.960 -5.547
205 HE1 TYR 32 HE1 TYR 32 -0.683 1.205 -7.930
206 HE2 TYR 32 HE2 TYR 32 2.001 -1.138 -5.578
207 HH TYR 32 HH TYR 32 2.541 0.741 -6.994
208 H SER 33 H SER 33 -2.152 -2.241 -3.124
209 HA SER 33 HA SER 33 -4.214 -0.207 -3.541
210 HB2 SER 33 HB2 SER 33 -3.324 -1.429 -0.909
211 HB3 SER 33 HB3 SER 33 -4.601 -0.237 -1.130
212 HG SER 33 HG SER 33 -5.183 -2.555 -0.909
213 H GLN 34 H GLN 34 -3.473 1.912 -2.911
214 HA GLN 34 HA GLN 34 -0.673 2.032 -2.109
215 HB2 GLN 34 HB2 GLN 34 -0.445 2.117 -4.440
216 HB3 GLN 34 HB3 GLN 34 -1.840 3.163 -4.626
217 HG2 GLN 34 HG2 GLN 34 -0.659 5.033 -3.850
218 HG3 GLN 34 HG3 GLN 34 0.694 4.043 -3.277
219 HE21 GLN 34 HE21 GLN 34 2.193 3.322 -4.768
220 HE22 GLN 34 HE22 GLN 34 2.250 3.901 -6.377
221 H CYS 35 H CYS 35 -0.128 3.682 -0.818
222 HA CYS 35 HA CYS 35 -2.242 5.302 0.248
223 HB2 CYS 35 HB2 CYS 35 0.727 5.606 0.771
224 HB3 CYS 35 HB3 CYS 35 -0.626 6.265 1.682
225 H LEU 36 H LEU 36 -2.984 6.853 -0.918
226 HA LEU 36 HA LEU 36 -1.147 8.572 -2.375
227 HB2 LEU 36 HB2 LEU 36 -4.089 8.024 -2.784
228 HB3 LEU 36 HB3 LEU 36 -3.178 9.239 -3.660
229 HG LEU 36 HG LEU 36 -2.588 6.278 -3.757
230 HD11 LEU 36 HD11 LEU 36 -3.501 6.353 -5.994
231 HD12 LEU 36 HD12 LEU 36 -3.966 8.045 -5.767
232 HD13 LEU 36 HD13 LEU 36 -4.727 6.773 -4.798
233 HD21 LEU 36 HD21 LEU 36 -1.183 6.902 -5.669
234 HD22 LEU 36 HD22 LEU 36 -0.625 7.628 -4.171
235 HD23 LEU 36 HD23 LEU 36 -1.510 8.602 -5.348
236 H2 BGC 101 H2 BGC 101 8.344 2.817 0.695
237 H3 BGC 101 H3 BGC 101 6.020 1.065 1.560
238 H4 BGC 101 H4 BGC 101 8.990 1.091 2.232
239 H5 BGC 101 H5 BGC 101 6.474 1.705 3.895
240 H6C1 BGC 101 H61 BGC 101 9.441 2.024 4.474
241 H6C2 BGC 101 H62 BGC 101 8.360 0.859 5.259
242 H1 BGC 101 H1 BGC 101 5.737 3.309 2.145
243 HB BGC 101 HO2 BGC 101 6.693 3.782 -0.579
244 HC BGC 101 HO3 BGC 101 6.792 0.546 -0.503
245 HD BGC 101 HO4 BGC 101 7.940 -1.004 2.207
246 H6 BGC 101 HO6 BGC 101 7.320 2.455 6.302
Start of MODEL 16
1 H1 THR 1 H1 THR 1 4.359 1.515 9.328
2 H2 THR 1 H2 THR 1 4.302 2.724 10.548
3 H3 THR 1 H3 THR 1 5.423 2.819 9.304
4 HA THR 1 HA THR 1 2.545 2.970 8.885
5 HB THR 1 HB THR 1 4.597 5.205 8.957
6 HG1 THR 1 HG1 THR 1 3.259 5.643 10.980
7 HG21 THR 1 HG21 THR 1 2.605 6.625 9.089
8 HG22 THR 1 HG22 THR 1 1.575 5.197 9.044
9 HG23 THR 1 HG23 THR 1 2.558 5.621 7.642
10 H GLN 2 H GLN 2 2.054 3.428 6.670
11 HA GLN 2 HA GLN 2 4.205 2.699 4.873
12 HB2 GLN 2 HB2 GLN 2 2.050 1.432 4.877
13 HB3 GLN 2 HB3 GLN 2 1.252 2.883 4.308
14 HG2 GLN 2 HG2 GLN 2 1.701 1.254 2.509
15 HG3 GLN 2 HG3 GLN 2 2.467 2.810 2.237
16 HE21 GLN 2 HE21 GLN 2 3.031 -0.060 1.406
17 HE22 GLN 2 HE22 GLN 2 4.698 -0.275 1.728
18 H SER 3 H SER 3 5.205 4.164 3.827
19 HA SER 3 HA SER 3 4.512 6.872 3.849
20 HB2 SER 3 HB2 SER 3 6.523 7.226 2.596
21 HB3 SER 3 HB3 SER 3 6.835 5.991 3.799
22 H HIS 4 H HIS 4 4.855 8.083 1.601
23 HA HIS 4 HA HIS 4 2.409 7.728 0.223
24 HB2 HIS 4 HB2 HIS 4 3.775 9.891 0.676
25 HB3 HIS 4 HB3 HIS 4 4.733 9.408 -0.713
26 HD1 HIS 4 HD1 HIS 4 3.883 11.708 -1.807
27 HD2 HIS 4 HD2 HIS 4 0.951 8.855 -1.100
28 HE1 HIS 4 HE1 HIS 4 1.852 12.520 -2.987
29 HE2 HIS 4 HE2 HIS 4 0.055 11.006 -2.130
30 H TYR 5 H TYR 5 2.002 6.688 -1.645
31 HA TYR 5 HA TYR 5 2.173 5.598 -3.552
32 HB2 TYR 5 HB2 TYR 5 5.134 6.212 -3.533
33 HB3 TYR 5 HB3 TYR 5 4.309 5.368 -4.838
34 HD1 TYR 5 HD1 TYR 5 5.157 8.531 -3.427
35 HD2 TYR 5 HD2 TYR 5 2.456 6.593 -6.064
36 HE1 TYR 5 HE1 TYR 5 4.596 10.681 -4.411
37 HE2 TYR 5 HE2 TYR 5 1.879 8.761 -7.074
38 HH TYR 5 HH TYR 5 3.710 11.576 -6.395
39 H GLY 6 H GLY 6 3.296 4.570 -0.732
40 HA2 GLY 6 HA2 GLY 6 4.323 2.034 -1.616
41 HA3 GLY 6 HA3 GLY 6 3.959 2.506 0.040
42 H GLN 7 H GLN 7 3.272 0.041 -1.409
43 HA GLN 7 HA GLN 7 0.421 0.135 -1.737
44 HB2 GLN 7 HB2 GLN 7 1.912 -1.467 -2.987
45 HB3 GLN 7 HB3 GLN 7 2.286 -2.244 -1.460
46 HG2 GLN 7 HG2 GLN 7 -0.080 -2.882 -1.210
47 HG3 GLN 7 HG3 GLN 7 -0.437 -2.080 -2.729
48 HE21 GLN 7 HE21 GLN 7 -0.787 -4.903 -2.086
49 HE22 GLN 7 HE22 GLN 7 0.157 -5.759 -3.237
50 H CYS 8 H CYS 8 -0.853 0.272 0.012
51 HA CYS 8 HA CYS 8 0.265 -0.111 2.621
52 HB2 CYS 8 HB2 CYS 8 -1.816 0.614 3.531
53 HB3 CYS 8 HB3 CYS 8 -1.568 1.577 2.084
54 H GLY 9 H GLY 9 -2.000 -1.902 0.614
55 HA2 GLY 9 HA2 GLY 9 -1.305 -4.351 1.300
56 HA3 GLY 9 HA3 GLY 9 -2.246 -3.873 2.702
57 H GLY 10 H GLY 10 -2.289 -5.131 -0.353
58 HA2 GLY 10 HA2 GLY 10 -5.188 -4.885 -0.620
59 HA3 GLY 10 HA3 GLY 10 -4.063 -5.507 -1.824
60 H ILE 11 H ILE 11 -5.584 -7.332 -1.837
61 HA ILE 11 HA ILE 11 -5.884 -9.134 0.271
62 HB ILE 11 HB ILE 11 -5.677 -9.735 -2.692
63 HG12 ILE 11 HG12 ILE 11 -8.122 -9.297 -0.975
64 HG13 ILE 11 HG13 ILE 11 -7.455 -8.107 -2.092
65 HG21 ILE 11 HG21 ILE 11 -5.361 -11.737 -1.399
66 HG22 ILE 11 HG22 ILE 11 -6.940 -11.769 -2.187
67 HG23 ILE 11 HG23 ILE 11 -6.819 -11.406 -0.457
68 HD11 ILE 11 HD11 ILE 11 -7.918 -9.615 -3.953
69 HD12 ILE 11 HD12 ILE 11 -9.379 -9.251 -3.036
70 HD13 ILE 11 HD13 ILE 11 -8.571 -10.806 -2.829
71 H GLY 12 H GLY 12 -4.203 -9.990 1.446
72 HA2 GLY 12 HA2 GLY 12 -2.659 -11.762 1.646
73 HA3 GLY 12 HA3 GLY 12 -2.278 -11.597 -0.057
74 H TYR 13 H TYR 13 -2.308 -8.582 1.267
75 HA TYR 13 HA TYR 13 0.610 -8.635 1.518
76 HB2 TYR 13 HB2 TYR 13 -0.414 -7.048 -0.128
77 HB3 TYR 13 HB3 TYR 13 -1.266 -6.280 1.200
78 HD1 TYR 13 HD1 TYR 13 1.791 -6.416 -0.700
79 HD2 TYR 13 HD2 TYR 13 0.130 -5.088 2.971
80 HE1 TYR 13 HE1 TYR 13 3.695 -4.887 -0.396
81 HE2 TYR 13 HE2 TYR 13 1.983 -3.573 3.301
82 HH TYR 13 HH TYR 13 4.469 -3.538 2.474
83 H SER 14 H SER 14 1.345 -8.770 3.524
84 HA SER 14 HA SER 14 -0.369 -7.941 5.743
85 HB2 SER 14 HB2 SER 14 1.182 -9.563 6.971
86 HB3 SER 14 HB3 SER 14 0.020 -10.248 5.829
87 HG SER 14 HG SER 14 1.798 -11.192 5.246
88 H GLY 15 H GLY 15 1.540 -6.191 4.240
89 HA2 GLY 15 HA2 GLY 15 3.679 -5.730 6.178
90 HA3 GLY 15 HA3 GLY 15 3.526 -4.961 4.604
91 HA PRO 16 HA PRO 16 2.253 -1.786 7.702
92 HB2 PRO 16 HB2 PRO 16 3.250 0.348 6.291
93 HB3 PRO 16 HB3 PRO 16 4.204 -0.587 7.441
94 HG2 PRO 16 HG2 PRO 16 4.168 -0.737 4.455
95 HG3 PRO 16 HG3 PRO 16 5.523 -0.903 5.575
96 HD2 PRO 16 HD2 PRO 16 4.282 -3.014 4.374
97 HD3 PRO 16 HD3 PRO 16 5.115 -3.124 5.934
98 H THR 17 H THR 17 0.109 -1.623 7.501
99 HA THR 17 HA THR 17 -1.046 -1.049 4.909
100 HB THR 17 HB THR 17 -3.194 -1.730 6.083
101 HG1 THR 17 HG1 THR 17 -2.203 -3.226 7.938
102 HG21 THR 17 HG21 THR 17 -0.930 -3.745 5.989
103 HG22 THR 17 HG22 THR 17 -1.901 -3.250 4.629
104 HG23 THR 17 HG23 THR 17 -2.653 -4.140 5.961
105 H VAL 18 H VAL 18 -0.662 0.419 8.022
106 HA VAL 18 HA VAL 18 -2.657 2.442 7.456
107 HB VAL 18 HB VAL 18 -0.631 2.334 9.724
108 HG11 VAL 18 HG11 VAL 18 -1.358 4.623 9.288
109 HG12 VAL 18 HG12 VAL 18 -2.027 4.040 10.811
110 HG13 VAL 18 HG13 VAL 18 -3.048 4.114 9.375
111 HG21 VAL 18 HG21 VAL 18 -2.226 0.493 9.832
112 HG22 VAL 18 HG22 VAL 18 -3.565 1.631 9.684
113 HG23 VAL 18 HG23 VAL 18 -2.539 1.665 11.116
114 H CYS 19 H CYS 19 -2.309 4.178 6.310
115 HA CYS 19 HA CYS 19 0.314 4.663 5.241
116 HB2 CYS 19 HB2 CYS 19 -2.253 6.192 4.796
117 HB3 CYS 19 HB3 CYS 19 -0.792 6.276 3.823
118 H ALA 20 H ALA 20 1.208 6.827 5.195
119 HA ALA 20 HA ALA 20 1.421 7.899 7.815
120 HB1 ALA 20 HB1 ALA 20 3.006 9.466 6.835
121 HB2 ALA 20 HB2 ALA 20 2.507 8.974 5.216
122 HB3 ALA 20 HB3 ALA 20 3.324 7.822 6.276
123 H SER 21 H SER 21 1.176 10.203 8.317
124 HA SER 21 HA SER 21 -1.385 11.129 7.874
125 HB2 SER 21 HB2 SER 21 -0.362 13.239 8.910
126 HB3 SER 21 HB3 SER 21 -0.246 11.753 9.856
127 HG SER 21 HG SER 21 1.752 12.961 8.255
128 H GLY 22 H GLY 22 -2.220 12.175 6.195
129 HA2 GLY 22 HA2 GLY 22 -2.193 13.899 4.571
130 HA3 GLY 22 HA3 GLY 22 -0.447 13.729 4.463
131 H THR 23 H THR 23 -1.664 10.650 4.556
132 HA THR 23 HA THR 23 -2.102 10.578 1.667
133 HB THR 23 HB THR 23 -0.778 8.499 1.473
134 HG1 THR 23 HG1 THR 23 -0.506 8.895 4.232
135 HG21 THR 23 HG21 THR 23 0.796 10.785 2.658
136 HG22 THR 23 HG22 THR 23 0.333 10.608 0.965
137 HG23 THR 23 HG23 THR 23 1.469 9.471 1.693
138 H THR 24 H THR 24 -3.489 8.995 0.944
139 HA THR 24 HA THR 24 -4.889 7.469 3.023
140 HB THR 24 HB THR 24 -6.940 7.770 1.544
141 HG1 THR 24 HG1 THR 24 -5.083 9.321 0.143
142 HG21 THR 24 HG21 THR 24 -7.463 10.023 2.407
143 HG22 THR 24 HG22 THR 24 -5.758 10.260 2.799
144 HG23 THR 24 HG23 THR 24 -6.694 9.025 3.640
145 H CYS 25 H CYS 25 -5.116 5.300 2.533
146 HA CYS 25 HA CYS 25 -3.775 4.371 0.163
147 HB2 CYS 25 HB2 CYS 25 -3.653 3.085 2.322
148 HB3 CYS 25 HB3 CYS 25 -5.358 2.688 2.096
149 H GLN 26 H GLN 26 -4.569 4.323 -1.701
150 HA GLN 26 HA GLN 26 -7.439 4.134 -2.046
151 HB2 GLN 26 HB2 GLN 26 -5.246 4.904 -3.967
152 HB3 GLN 26 HB3 GLN 26 -6.975 4.980 -4.288
153 HG2 GLN 26 HG2 GLN 26 -5.513 6.548 -2.183
154 HG3 GLN 26 HG3 GLN 26 -6.061 7.180 -3.731
155 HE21 GLN 26 HE21 GLN 26 -6.737 7.927 -0.970
156 HE22 GLN 26 HE22 GLN 26 -8.456 7.790 -0.858
157 H VAL 27 H VAL 27 -8.243 2.290 -2.628
158 HA VAL 27 HA VAL 27 -6.589 0.072 -3.365
159 HB VAL 27 HB VAL 27 -9.618 0.304 -3.323
160 HG11 VAL 27 HG11 VAL 27 -9.607 -2.153 -3.253
161 HG12 VAL 27 HG12 VAL 27 -7.845 -2.135 -3.374
162 HG13 VAL 27 HG13 VAL 27 -8.816 -1.546 -4.712
163 HG21 VAL 27 HG21 VAL 27 -9.508 -0.824 -1.155
164 HG22 VAL 27 HG22 VAL 27 -8.646 0.718 -1.117
165 HG23 VAL 27 HG23 VAL 27 -7.747 -0.794 -1.228
166 H LEU 28 H LEU 28 -5.718 0.291 -5.270
167 HA LEU 28 HA LEU 28 -7.160 1.468 -7.497
168 HB2 LEU 28 HB2 LEU 28 -4.373 0.318 -7.342
169 HB3 LEU 28 HB3 LEU 28 -5.026 1.200 -8.708
170 HG LEU 28 HG LEU 28 -4.554 2.368 -5.953
171 HD11 LEU 28 HD11 LEU 28 -2.753 3.621 -7.029
172 HD12 LEU 28 HD12 LEU 28 -3.012 2.698 -8.515
173 HD13 LEU 28 HD13 LEU 28 -2.473 1.882 -7.042
174 HD21 LEU 28 HD21 LEU 28 -4.971 4.504 -7.029
175 HD22 LEU 28 HD22 LEU 28 -6.394 3.455 -7.139
176 HD23 LEU 28 HD23 LEU 28 -5.328 3.673 -8.539
177 H ASN 29 H ASN 29 -5.857 -1.607 -6.476
178 HA ASN 29 HA ASN 29 -7.554 -3.008 -8.417
179 HB2 ASN 29 HB2 ASN 29 -4.688 -3.855 -7.689
180 HB3 ASN 29 HB3 ASN 29 -5.806 -4.763 -8.667
181 HD21 ASN 29 HD21 ASN 29 -5.186 -1.316 -9.020
182 HD22 ASN 29 HD22 ASN 29 -4.418 -1.415 -10.559
183 HA PRO 30 HA PRO 30 -8.764 -5.180 -4.710
184 HB2 PRO 30 HB2 PRO 30 -7.993 -7.792 -5.926
185 HB3 PRO 30 HB3 PRO 30 -9.534 -7.296 -5.221
186 HG2 PRO 30 HG2 PRO 30 -9.289 -7.479 -7.846
187 HG3 PRO 30 HG3 PRO 30 -10.178 -6.124 -7.125
188 HD2 PRO 30 HD2 PRO 30 -7.401 -6.194 -8.234
189 HD3 PRO 30 HD3 PRO 30 -8.641 -4.944 -8.441
190 H TYR 31 H TYR 31 -5.736 -6.286 -6.130
191 HA TYR 31 HA TYR 31 -4.731 -6.969 -3.450
192 HB2 TYR 31 HB2 TYR 31 -3.594 -7.431 -6.212
193 HB3 TYR 31 HB3 TYR 31 -2.725 -7.801 -4.735
194 HD1 TYR 31 HD1 TYR 31 -6.058 -8.566 -6.310
195 HD2 TYR 31 HD2 TYR 31 -2.766 -9.980 -4.031
196 HE1 TYR 31 HE1 TYR 31 -7.035 -10.831 -6.306
197 HE2 TYR 31 HE2 TYR 31 -3.724 -12.231 -4.020
198 HH TYR 31 HH TYR 31 -5.728 -13.324 -4.296
199 H TYR 32 H TYR 32 -4.419 -4.564 -5.969
200 HA TYR 32 HA TYR 32 -2.057 -3.507 -4.641
201 HB2 TYR 32 HB2 TYR 32 -2.013 -3.794 -7.118
202 HB3 TYR 32 HB3 TYR 32 -3.239 -2.534 -7.235
203 HD1 TYR 32 HD1 TYR 32 -2.457 -0.450 -7.801
204 HD2 TYR 32 HD2 TYR 32 0.038 -3.022 -5.517
205 HE1 TYR 32 HE1 TYR 32 -0.695 1.253 -7.818
206 HE2 TYR 32 HE2 TYR 32 1.815 -1.327 -5.524
207 HH TYR 32 HH TYR 32 1.307 1.866 -6.532
208 H SER 33 H SER 33 -2.347 -2.110 -3.108
209 HA SER 33 HA SER 33 -4.382 -0.041 -3.435
210 HB2 SER 33 HB2 SER 33 -3.718 -1.543 -0.874
211 HB3 SER 33 HB3 SER 33 -4.933 -0.266 -1.056
212 HG SER 33 HG SER 33 -5.480 -2.064 -2.884
213 H GLN 34 H GLN 34 -3.398 1.921 -3.319
214 HA GLN 34 HA GLN 34 -0.670 1.999 -2.204
215 HB2 GLN 34 HB2 GLN 34 -0.417 2.029 -4.564
216 HB3 GLN 34 HB3 GLN 34 -1.741 3.154 -4.772
217 HG2 GLN 34 HG2 GLN 34 -0.429 4.955 -3.889
218 HG3 GLN 34 HG3 GLN 34 0.882 3.844 -3.470
219 HE21 GLN 34 HE21 GLN 34 2.307 3.211 -5.064
220 HE22 GLN 34 HE22 GLN 34 2.278 3.867 -6.657
221 H CYS 35 H CYS 35 -0.155 3.613 -0.850
222 HA CYS 35 HA CYS 35 -2.213 5.381 0.105
223 HB2 CYS 35 HB2 CYS 35 0.735 5.412 0.791
224 HB3 CYS 35 HB3 CYS 35 -0.586 6.188 1.658
225 H LEU 36 H LEU 36 -2.838 7.037 -0.962
226 HA LEU 36 HA LEU 36 -0.880 8.698 -2.339
227 HB2 LEU 36 HB2 LEU 36 -3.785 8.176 -2.971
228 HB3 LEU 36 HB3 LEU 36 -2.790 9.372 -3.784
229 HG LEU 36 HG LEU 36 -2.277 6.396 -3.829
230 HD11 LEU 36 HD11 LEU 36 -3.461 8.201 -5.935
231 HD12 LEU 36 HD12 LEU 36 -4.326 6.971 -5.010
232 HD13 LEU 36 HD13 LEU 36 -3.049 6.495 -6.131
233 HD21 LEU 36 HD21 LEU 36 -0.704 6.957 -5.621
234 HD22 LEU 36 HD22 LEU 36 -0.245 7.725 -4.104
235 HD23 LEU 36 HD23 LEU 36 -1.029 8.670 -5.373
236 H2 BGC 101 H2 BGC 101 8.342 3.469 0.831
237 H3 BGC 101 H3 BGC 101 6.103 1.496 1.330
238 H4 BGC 101 H4 BGC 101 9.015 1.627 2.229
239 H5 BGC 101 H5 BGC 101 6.356 1.883 3.780
240 H6C1 BGC 101 H61 BGC 101 9.277 2.147 4.604
241 H6C2 BGC 101 H62 BGC 101 8.100 0.966 5.226
242 H1 BGC 101 H1 BGC 101 5.632 3.665 2.189
243 HB BGC 101 HO2 BGC 101 6.755 4.473 -0.432
244 HC BGC 101 HO3 BGC 101 7.129 1.364 -0.710
245 HD BGC 101 HO4 BGC 101 8.174 -0.474 1.813
246 H6 BGC 101 HO6 BGC 101 6.858 2.779 6.081
Start of MODEL 17
1 H1 THR 1 H1 THR 1 4.834 2.465 10.029
2 H2 THR 1 H2 THR 1 5.873 2.861 8.742
3 H3 THR 1 H3 THR 1 4.972 1.453 8.669
4 HA THR 1 HA THR 1 2.956 2.778 8.571
5 HB THR 1 HB THR 1 4.852 5.147 8.499
6 HG1 THR 1 HG1 THR 1 3.228 4.712 10.734
7 HG21 THR 1 HG21 THR 1 2.811 6.427 8.958
8 HG22 THR 1 HG22 THR 1 1.878 4.933 9.002
9 HG23 THR 1 HG23 THR 1 2.617 5.467 7.489
10 H GLN 2 H GLN 2 2.247 3.024 6.402
11 HA GLN 2 HA GLN 2 4.281 2.441 4.469
12 HB2 GLN 2 HB2 GLN 2 2.092 1.250 4.453
13 HB3 GLN 2 HB3 GLN 2 1.303 2.767 4.075
14 HG2 GLN 2 HG2 GLN 2 1.633 1.360 2.086
15 HG3 GLN 2 HG3 GLN 2 2.444 2.921 1.974
16 HE21 GLN 2 HE21 GLN 2 2.877 -0.494 2.268
17 HE22 GLN 2 HE22 GLN 2 4.566 -0.519 1.926
18 H SER 3 H SER 3 5.204 3.899 3.207
19 HA SER 3 HA SER 3 4.531 6.622 3.553
20 HB2 SER 3 HB2 SER 3 6.514 7.108 2.340
21 HB3 SER 3 HB3 SER 3 6.884 5.766 3.400
22 H HIS 4 H HIS 4 4.576 8.025 1.539
23 HA HIS 4 HA HIS 4 2.225 7.632 0.068
24 HB2 HIS 4 HB2 HIS 4 3.476 9.801 0.645
25 HB3 HIS 4 HB3 HIS 4 4.538 9.420 -0.696
26 HD1 HIS 4 HD1 HIS 4 3.719 11.733 -1.678
27 HD2 HIS 4 HD2 HIS 4 0.779 8.820 -1.386
28 HE1 HIS 4 HE1 HIS 4 1.814 12.570 -3.042
29 HE2 HIS 4 HE2 HIS 4 0.083 10.804 -2.948
30 H TYR 5 H TYR 5 1.833 6.583 -1.809
31 HA TYR 5 HA TYR 5 2.005 5.459 -3.673
32 HB2 TYR 5 HB2 TYR 5 4.829 6.503 -3.845
33 HB3 TYR 5 HB3 TYR 5 4.166 5.407 -5.036
34 HD1 TYR 5 HD1 TYR 5 3.869 8.812 -3.633
35 HD2 TYR 5 HD2 TYR 5 2.593 6.138 -6.681
36 HE1 TYR 5 HE1 TYR 5 2.854 10.685 -4.855
37 HE2 TYR 5 HE2 TYR 5 1.573 8.005 -7.907
38 HH TYR 5 HH TYR 5 0.741 10.211 -7.516
39 H GLY 6 H GLY 6 2.993 4.447 -0.949
40 HA2 GLY 6 HA2 GLY 6 4.246 1.990 -1.894
41 HA3 GLY 6 HA3 GLY 6 4.020 2.475 -0.215
42 H GLN 7 H GLN 7 3.347 -0.057 -1.189
43 HA GLN 7 HA GLN 7 0.538 -0.176 -1.700
44 HB2 GLN 7 HB2 GLN 7 2.075 -1.842 -2.616
45 HB3 GLN 7 HB3 GLN 7 2.503 -2.361 -0.996
46 HG2 GLN 7 HG2 GLN 7 0.175 -3.116 -0.662
47 HG3 GLN 7 HG3 GLN 7 -0.195 -2.632 -2.312
48 HE21 GLN 7 HE21 GLN 7 -0.728 -4.854 -2.916
49 HE22 GLN 7 HE22 GLN 7 0.533 -5.970 -3.158
50 H CYS 8 H CYS 8 -0.883 0.208 -0.226
51 HA CYS 8 HA CYS 8 -0.218 0.056 2.604
52 HB2 CYS 8 HB2 CYS 8 -2.404 1.210 2.917
53 HB3 CYS 8 HB3 CYS 8 -1.227 2.082 1.941
54 H GLY 9 H GLY 9 -1.224 -2.229 0.680
55 HA2 GLY 9 HA2 GLY 9 -1.812 -4.285 1.940
56 HA3 GLY 9 HA3 GLY 9 -2.952 -3.283 2.819
57 H GLY 10 H GLY 10 -2.254 -4.881 -0.139
58 HA2 GLY 10 HA2 GLY 10 -5.075 -4.672 -0.930
59 HA3 GLY 10 HA3 GLY 10 -3.742 -5.314 -1.893
60 H ILE 11 H ILE 11 -5.559 -7.046 -1.955
61 HA ILE 11 HA ILE 11 -5.692 -8.816 0.231
62 HB ILE 11 HB ILE 11 -5.921 -9.442 -2.738
63 HG12 ILE 11 HG12 ILE 11 -8.109 -8.863 -0.723
64 HG13 ILE 11 HG13 ILE 11 -7.519 -7.716 -1.919
65 HG21 ILE 11 HG21 ILE 11 -7.192 -11.430 -2.013
66 HG22 ILE 11 HG22 ILE 11 -6.859 -11.020 -0.330
67 HG23 ILE 11 HG23 ILE 11 -5.535 -11.457 -1.407
68 HD11 ILE 11 HD11 ILE 11 -8.871 -10.337 -2.491
69 HD12 ILE 11 HD12 ILE 11 -8.282 -9.199 -3.703
70 HD13 ILE 11 HD13 ILE 11 -9.603 -8.739 -2.625
71 H GLY 12 H GLY 12 -4.114 -10.040 1.048
72 HA2 GLY 12 HA2 GLY 12 -2.399 -11.648 0.897
73 HA3 GLY 12 HA3 GLY 12 -2.027 -11.068 -0.717
74 H TYR 13 H TYR 13 -2.330 -8.337 1.068
75 HA TYR 13 HA TYR 13 0.516 -8.425 1.803
76 HB2 TYR 13 HB2 TYR 13 -0.064 -6.822 -0.052
77 HB3 TYR 13 HB3 TYR 13 -1.106 -5.969 1.070
78 HD1 TYR 13 HD1 TYR 13 -0.122 -4.554 2.850
79 HD2 TYR 13 HD2 TYR 13 2.351 -6.685 0.120
80 HE1 TYR 13 HE1 TYR 13 1.789 -3.193 3.530
81 HE2 TYR 13 HE2 TYR 13 4.281 -5.321 0.804
82 HH TYR 13 HH TYR 13 4.660 -3.069 1.799
83 H SER 14 H SER 14 0.828 -8.450 3.905
84 HA SER 14 HA SER 14 -1.282 -7.381 5.637
85 HB2 SER 14 HB2 SER 14 0.626 -9.571 6.166
86 HB3 SER 14 HB3 SER 14 -0.760 -9.136 7.174
87 HG SER 14 HG SER 14 -2.116 -10.035 5.728
88 H GLY 15 H GLY 15 1.531 -6.436 4.520
89 HA2 GLY 15 HA2 GLY 15 3.064 -5.942 6.908
90 HA3 GLY 15 HA3 GLY 15 3.398 -5.307 5.304
91 HA PRO 16 HA PRO 16 2.155 -1.613 7.732
92 HB2 PRO 16 HB2 PRO 16 3.228 0.196 5.938
93 HB3 PRO 16 HB3 PRO 16 4.110 -0.509 7.291
94 HG2 PRO 16 HG2 PRO 16 4.126 -1.290 4.414
95 HG3 PRO 16 HG3 PRO 16 5.469 -1.233 5.568
96 HD2 PRO 16 HD2 PRO 16 4.281 -3.535 4.852
97 HD3 PRO 16 HD3 PRO 16 4.932 -3.286 6.487
98 H THR 17 H THR 17 0.056 -1.500 7.506
99 HA THR 17 HA THR 17 -1.148 -1.023 4.900
100 HB THR 17 HB THR 17 -3.284 -1.549 6.211
101 HG1 THR 17 HG1 THR 17 -2.764 -1.431 8.306
102 HG21 THR 17 HG21 THR 17 -1.142 -3.686 6.052
103 HG22 THR 17 HG22 THR 17 -2.159 -3.170 4.713
104 HG23 THR 17 HG23 THR 17 -2.885 -3.971 6.109
105 H VAL 18 H VAL 18 -0.489 0.455 7.893
106 HA VAL 18 HA VAL 18 -2.412 2.590 7.591
107 HB VAL 18 HB VAL 18 -0.153 2.231 9.598
108 HG11 VAL 18 HG11 VAL 18 -1.219 4.012 10.892
109 HG12 VAL 18 HG12 VAL 18 -2.419 4.216 9.619
110 HG13 VAL 18 HG13 VAL 18 -0.726 4.601 9.300
111 HG21 VAL 18 HG21 VAL 18 -3.125 1.814 9.882
112 HG22 VAL 18 HG22 VAL 18 -1.941 1.668 11.179
113 HG23 VAL 18 HG23 VAL 18 -1.905 0.547 9.818
114 H CYS 19 H CYS 19 -2.047 4.215 6.319
115 HA CYS 19 HA CYS 19 0.495 4.676 5.064
116 HB2 CYS 19 HB2 CYS 19 -2.125 6.158 4.848
117 HB3 CYS 19 HB3 CYS 19 -0.723 6.358 3.802
118 H ALA 20 H ALA 20 1.483 6.710 5.011
119 HA ALA 20 HA ALA 20 1.930 8.024 7.435
120 HB1 ALA 20 HB1 ALA 20 3.085 9.711 6.082
121 HB2 ALA 20 HB2 ALA 20 2.339 9.049 4.627
122 HB3 ALA 20 HB3 ALA 20 3.487 8.080 5.546
123 H SER 21 H SER 21 1.263 10.077 8.173
124 HA SER 21 HA SER 21 -1.471 10.634 7.811
125 HB2 SER 21 HB2 SER 21 -0.142 11.134 9.899
126 HB3 SER 21 HB3 SER 21 0.634 12.455 9.028
127 HG SER 21 HG SER 21 -2.040 12.154 9.824
128 H GLY 22 H GLY 22 -2.429 11.697 6.235
129 HA2 GLY 22 HA2 GLY 22 -2.576 13.713 4.895
130 HA3 GLY 22 HA3 GLY 22 -0.835 13.588 4.638
131 H THR 23 H THR 23 -1.272 10.582 4.473
132 HA THR 23 HA THR 23 -2.178 10.612 1.693
133 HB THR 23 HB THR 23 -0.768 8.683 1.267
134 HG1 THR 23 HG1 THR 23 -0.342 8.809 4.068
135 HG21 THR 23 HG21 THR 23 0.758 10.885 2.659
136 HG22 THR 23 HG22 THR 23 0.249 10.873 0.968
137 HG23 THR 23 HG23 THR 23 1.451 9.714 1.538
138 H THR 24 H THR 24 -3.560 8.994 1.002
139 HA THR 24 HA THR 24 -4.826 7.557 3.223
140 HB THR 24 HB THR 24 -6.964 7.761 1.916
141 HG1 THR 24 HG1 THR 24 -5.264 9.291 0.218
142 HG21 THR 24 HG21 THR 24 -7.386 10.095 2.595
143 HG22 THR 24 HG22 THR 24 -5.651 10.350 2.766
144 HG23 THR 24 HG23 THR 24 -6.481 9.219 3.831
145 H CYS 25 H CYS 25 -5.482 5.433 2.863
146 HA CYS 25 HA CYS 25 -3.957 4.073 0.879
147 HB2 CYS 25 HB2 CYS 25 -4.344 3.077 3.098
148 HB3 CYS 25 HB3 CYS 25 -6.072 3.016 2.776
149 H GLN 26 H GLN 26 -4.555 4.148 -1.178
150 HA GLN 26 HA GLN 26 -7.395 4.090 -1.875
151 HB2 GLN 26 HB2 GLN 26 -4.952 4.767 -3.527
152 HB3 GLN 26 HB3 GLN 26 -6.609 4.822 -4.094
153 HG2 GLN 26 HG2 GLN 26 -5.480 6.521 -1.883
154 HG3 GLN 26 HG3 GLN 26 -5.690 7.034 -3.556
155 HE21 GLN 26 HE21 GLN 26 -6.812 8.072 -1.088
156 HE22 GLN 26 HE22 GLN 26 -8.530 8.071 -1.343
157 H VAL 27 H VAL 27 -8.070 2.057 -2.213
158 HA VAL 27 HA VAL 27 -6.266 0.005 -3.058
159 HB VAL 27 HB VAL 27 -9.307 -0.046 -2.886
160 HG11 VAL 27 HG11 VAL 27 -8.410 -1.816 -4.312
161 HG12 VAL 27 HG12 VAL 27 -9.080 -2.473 -2.821
162 HG13 VAL 27 HG13 VAL 27 -7.333 -2.322 -3.012
163 HG21 VAL 27 HG21 VAL 27 -7.243 -0.949 -0.878
164 HG22 VAL 27 HG22 VAL 27 -8.985 -1.177 -0.733
165 HG23 VAL 27 HG23 VAL 27 -8.307 0.449 -0.717
166 H LEU 28 H LEU 28 -5.471 0.297 -5.022
167 HA LEU 28 HA LEU 28 -7.019 1.505 -7.163
168 HB2 LEU 28 HB2 LEU 28 -4.250 0.319 -7.241
169 HB3 LEU 28 HB3 LEU 28 -4.979 1.320 -8.474
170 HG LEU 28 HG LEU 28 -4.159 2.203 -5.707
171 HD11 LEU 28 HD11 LEU 28 -2.311 1.809 -7.217
172 HD12 LEU 28 HD12 LEU 28 -2.508 3.538 -6.905
173 HD13 LEU 28 HD13 LEU 28 -3.058 2.841 -8.431
174 HD21 LEU 28 HD21 LEU 28 -4.700 4.444 -6.469
175 HD22 LEU 28 HD22 LEU 28 -6.139 3.414 -6.431
176 HD23 LEU 28 HD23 LEU 28 -5.348 3.785 -7.973
177 H ASN 29 H ASN 29 -5.789 -1.602 -6.226
178 HA ASN 29 HA ASN 29 -7.380 -2.906 -8.271
179 HB2 ASN 29 HB2 ASN 29 -4.462 -3.537 -7.681
180 HB3 ASN 29 HB3 ASN 29 -5.532 -4.476 -8.714
181 HD21 ASN 29 HD21 ASN 29 -3.566 -1.660 -8.432
182 HD22 ASN 29 HD22 ASN 29 -3.626 -1.196 -10.078
183 HA PRO 30 HA PRO 30 -8.441 -5.578 -4.887
184 HB2 PRO 30 HB2 PRO 30 -7.284 -7.891 -6.382
185 HB3 PRO 30 HB3 PRO 30 -8.873 -7.727 -5.619
186 HG2 PRO 30 HG2 PRO 30 -8.681 -7.518 -8.242
187 HG3 PRO 30 HG3 PRO 30 -9.700 -6.380 -7.340
188 HD2 PRO 30 HD2 PRO 30 -6.970 -5.983 -8.483
189 HD3 PRO 30 HD3 PRO 30 -8.348 -4.870 -8.492
190 H TYR 31 H TYR 31 -5.196 -6.342 -6.227
191 HA TYR 31 HA TYR 31 -4.396 -7.042 -3.478
192 HB2 TYR 31 HB2 TYR 31 -2.775 -7.450 -6.000
193 HB3 TYR 31 HB3 TYR 31 -2.479 -8.135 -4.418
194 HD1 TYR 31 HD1 TYR 31 -3.899 -9.994 -3.596
195 HD2 TYR 31 HD2 TYR 31 -4.322 -8.468 -7.536
196 HE1 TYR 31 HE1 TYR 31 -5.114 -12.022 -4.248
197 HE2 TYR 31 HE2 TYR 31 -5.544 -10.485 -8.191
198 HH TYR 31 HH TYR 31 -6.756 -12.668 -5.960
199 H TYR 32 H TYR 32 -3.866 -4.738 -6.035
200 HA TYR 32 HA TYR 32 -1.743 -3.609 -4.427
201 HB2 TYR 32 HB2 TYR 32 -1.338 -3.838 -6.863
202 HB3 TYR 32 HB3 TYR 32 -2.595 -2.634 -7.147
203 HD1 TYR 32 HD1 TYR 32 0.639 -3.178 -5.447
204 HD2 TYR 32 HD2 TYR 32 -2.103 -0.332 -7.010
205 HE1 TYR 32 HE1 TYR 32 2.282 -1.403 -5.064
206 HE2 TYR 32 HE2 TYR 32 -0.463 1.461 -6.636
207 HH TYR 32 HH TYR 32 2.751 0.841 -6.032
208 H SER 33 H SER 33 -2.225 -2.267 -2.911
209 HA SER 33 HA SER 33 -4.234 -0.199 -3.420
210 HB2 SER 33 HB2 SER 33 -3.364 -1.368 -0.756
211 HB3 SER 33 HB3 SER 33 -4.655 -0.197 -1.013
212 HG SER 33 HG SER 33 -5.168 -2.547 -0.757
213 H GLN 34 H GLN 34 -3.433 1.911 -3.021
214 HA GLN 34 HA GLN 34 -0.608 2.061 -2.241
215 HB2 GLN 34 HB2 GLN 34 -0.604 2.133 -4.620
216 HB3 GLN 34 HB3 GLN 34 -1.941 3.269 -4.660
217 HG2 GLN 34 HG2 GLN 34 -0.531 5.011 -3.791
218 HG3 GLN 34 HG3 GLN 34 0.799 3.862 -3.583
219 HE21 GLN 34 HE21 GLN 34 2.012 3.292 -5.364
220 HE22 GLN 34 HE22 GLN 34 1.844 4.048 -6.894
221 H CYS 35 H CYS 35 -0.112 3.702 -0.899
222 HA CYS 35 HA CYS 35 -2.234 5.343 0.127
223 HB2 CYS 35 HB2 CYS 35 0.721 5.632 0.693
224 HB3 CYS 35 HB3 CYS 35 -0.639 6.313 1.579
225 H LEU 36 H LEU 36 -2.941 7.007 -0.868
226 HA LEU 36 HA LEU 36 -1.105 8.819 -2.229
227 HB2 LEU 36 HB2 LEU 36 -3.954 8.111 -2.933
228 HB3 LEU 36 HB3 LEU 36 -3.042 9.403 -3.684
229 HG LEU 36 HG LEU 36 -2.326 6.473 -3.830
230 HD11 LEU 36 HD11 LEU 36 -3.542 8.289 -5.906
231 HD12 LEU 36 HD12 LEU 36 -4.351 6.951 -5.086
232 HD13 LEU 36 HD13 LEU 36 -2.996 6.632 -6.166
233 HD21 LEU 36 HD21 LEU 36 -0.717 7.210 -5.530
234 HD22 LEU 36 HD22 LEU 36 -0.367 7.901 -3.954
235 HD23 LEU 36 HD23 LEU 36 -1.139 8.888 -5.196
236 H2 BGC 101 H2 BGC 101 8.372 3.631 0.154
237 H3 BGC 101 H3 BGC 101 6.198 1.507 0.393
238 H4 BGC 101 H4 BGC 101 9.084 1.679 1.321
239 H5 BGC 101 H5 BGC 101 6.391 1.589 2.800
240 H6C1 BGC 101 H61 BGC 101 9.269 1.777 3.769
241 H6C2 BGC 101 H62 BGC 101 8.121 0.464 4.118
242 H1 BGC 101 H1 BGC 101 5.669 3.582 1.525
243 HB BGC 101 HO2 BGC 101 6.621 4.759 -0.865
244 HC BGC 101 HO3 BGC 101 7.177 1.530 -1.675
245 HD BGC 101 HO4 BGC 101 8.410 -0.364 0.602
246 H6 BGC 101 HO6 BGC 101 7.276 3.058 4.724
Start of MODEL 18
1 H1 THR 1 H1 THR 1 5.499 2.672 9.072
2 H2 THR 1 H2 THR 1 4.265 1.490 9.090
3 H3 THR 1 H3 THR 1 4.358 2.695 10.308
4 HA THR 1 HA THR 1 2.643 3.140 8.707
5 HB THR 1 HB THR 1 4.852 5.189 8.728
6 HG1 THR 1 HG1 THR 1 4.621 5.385 10.853
7 HG21 THR 1 HG21 THR 1 2.719 5.769 7.672
8 HG22 THR 1 HG22 THR 1 2.960 6.693 9.158
9 HG23 THR 1 HG23 THR 1 1.862 5.314 9.143
10 H GLN 2 H GLN 2 2.144 3.079 6.618
11 HA GLN 2 HA GLN 2 4.119 2.313 4.701
12 HB2 GLN 2 HB2 GLN 2 1.801 1.430 4.708
13 HB3 GLN 2 HB3 GLN 2 1.208 3.034 4.328
14 HG2 GLN 2 HG2 GLN 2 1.262 1.619 2.355
15 HG3 GLN 2 HG3 GLN 2 2.366 2.982 2.198
16 HE21 GLN 2 HE21 GLN 2 2.121 -0.422 2.648
17 HE22 GLN 2 HE22 GLN 2 3.725 -0.829 2.238
18 H SER 3 H SER 3 5.237 3.585 3.377
19 HA SER 3 HA SER 3 5.037 6.379 3.603
20 HB2 SER 3 HB2 SER 3 6.972 6.442 2.130
21 HB3 SER 3 HB3 SER 3 7.209 5.204 3.344
22 H HIS 4 H HIS 4 5.058 7.776 1.561
23 HA HIS 4 HA HIS 4 2.533 7.491 0.308
24 HB2 HIS 4 HB2 HIS 4 3.776 9.677 0.785
25 HB3 HIS 4 HB3 HIS 4 4.805 9.293 -0.586
26 HD1 HIS 4 HD1 HIS 4 3.876 11.601 -1.558
27 HD2 HIS 4 HD2 HIS 4 1.067 8.585 -1.184
28 HE1 HIS 4 HE1 HIS 4 1.867 12.391 -2.857
29 HE2 HIS 4 HE2 HIS 4 0.097 10.734 -2.109
30 H TYR 5 H TYR 5 1.987 6.536 -1.566
31 HA TYR 5 HA TYR 5 2.051 5.458 -3.465
32 HB2 TYR 5 HB2 TYR 5 4.968 6.234 -3.634
33 HB3 TYR 5 HB3 TYR 5 4.194 5.235 -4.847
34 HD1 TYR 5 HD1 TYR 5 2.416 6.175 -6.267
35 HD2 TYR 5 HD2 TYR 5 4.594 8.606 -3.548
36 HE1 TYR 5 HE1 TYR 5 1.645 8.179 -7.456
37 HE2 TYR 5 HE2 TYR 5 3.821 10.619 -4.727
38 HH TYR 5 HH TYR 5 3.012 11.247 -6.906
39 H GLY 6 H GLY 6 3.104 4.438 -0.709
40 HA2 GLY 6 HA2 GLY 6 4.226 1.916 -1.531
41 HA3 GLY 6 HA3 GLY 6 3.814 2.411 0.108
42 H GLN 7 H GLN 7 3.189 -0.104 -0.881
43 HA GLN 7 HA GLN 7 0.466 -0.125 -1.795
44 HB2 GLN 7 HB2 GLN 7 2.249 -1.831 -2.418
45 HB3 GLN 7 HB3 GLN 7 2.075 -2.476 -0.796
46 HG2 GLN 7 HG2 GLN 7 -0.253 -2.998 -1.238
47 HG3 GLN 7 HG3 GLN 7 -0.118 -2.295 -2.842
48 HE21 GLN 7 HE21 GLN 7 -0.856 -5.062 -2.303
49 HE22 GLN 7 HE22 GLN 7 0.370 -5.992 -3.050
50 H CYS 8 H CYS 8 -1.078 0.331 -0.434
51 HA CYS 8 HA CYS 8 -0.590 0.362 2.411
52 HB2 CYS 8 HB2 CYS 8 -2.851 1.356 2.550
53 HB3 CYS 8 HB3 CYS 8 -1.693 2.221 1.546
54 H GLY 9 H GLY 9 -1.478 -2.153 0.652
55 HA2 GLY 9 HA2 GLY 9 -1.924 -4.104 2.141
56 HA3 GLY 9 HA3 GLY 9 -3.158 -3.092 2.871
57 H GLY 10 H GLY 10 -2.245 -4.815 0.028
58 HA2 GLY 10 HA2 GLY 10 -5.033 -4.820 -0.843
59 HA3 GLY 10 HA3 GLY 10 -3.645 -5.382 -1.776
60 H ILE 11 H ILE 11 -5.449 -7.177 -1.779
61 HA ILE 11 HA ILE 11 -5.685 -8.875 0.434
62 HB ILE 11 HB ILE 11 -5.742 -9.650 -2.494
63 HG12 ILE 11 HG12 ILE 11 -8.047 -8.842 -0.690
64 HG13 ILE 11 HG13 ILE 11 -7.319 -7.813 -1.914
65 HG21 ILE 11 HG21 ILE 11 -7.119 -11.546 -1.750
66 HG22 ILE 11 HG22 ILE 11 -6.895 -11.040 -0.071
67 HG23 ILE 11 HG23 ILE 11 -5.509 -11.566 -1.026
68 HD11 ILE 11 HD11 ILE 11 -8.735 -10.416 -2.419
69 HD12 ILE 11 HD12 ILE 11 -8.026 -9.374 -3.648
70 HD13 ILE 11 HD13 ILE 11 -9.395 -8.803 -2.692
71 H GLY 12 H GLY 12 -4.014 -9.765 1.483
72 HA2 GLY 12 HA2 GLY 12 -2.459 -11.596 1.484
73 HA3 GLY 12 HA3 GLY 12 -1.991 -11.128 -0.142
74 H TYR 13 H TYR 13 -2.066 -8.236 0.929
75 HA TYR 13 HA TYR 13 0.754 -8.212 1.631
76 HB2 TYR 13 HB2 TYR 13 -0.277 -6.563 0.003
77 HB3 TYR 13 HB3 TYR 13 -1.155 -5.873 1.355
78 HD1 TYR 13 HD1 TYR 13 2.039 -6.105 -0.357
79 HD2 TYR 13 HD2 TYR 13 0.094 -4.577 3.099
80 HE1 TYR 13 HE1 TYR 13 3.937 -4.598 0.032
81 HE2 TYR 13 HE2 TYR 13 2.000 -3.064 3.495
82 HH TYR 13 HH TYR 13 4.403 -2.566 1.105
83 H SER 14 H SER 14 1.289 -8.489 3.690
84 HA SER 14 HA SER 14 -0.609 -7.674 5.763
85 HB2 SER 14 HB2 SER 14 1.600 -9.618 5.904
86 HB3 SER 14 HB3 SER 14 0.331 -9.381 7.107
87 HG SER 14 HG SER 14 -1.112 -9.847 5.205
88 H GLY 15 H GLY 15 1.909 -6.345 4.365
89 HA2 GLY 15 HA2 GLY 15 3.568 -5.756 6.655
90 HA3 GLY 15 HA3 GLY 15 3.750 -5.103 5.031
91 HA PRO 16 HA PRO 16 2.326 -1.562 7.513
92 HB2 PRO 16 HB2 PRO 16 3.304 0.350 5.797
93 HB3 PRO 16 HB3 PRO 16 4.251 -0.407 7.080
94 HG2 PRO 16 HG2 PRO 16 4.214 -0.990 4.157
95 HG3 PRO 16 HG3 PRO 16 5.578 -0.991 5.286
96 HD2 PRO 16 HD2 PRO 16 4.349 -3.243 4.397
97 HD3 PRO 16 HD3 PRO 16 5.162 -3.143 5.968
98 H THR 17 H THR 17 0.217 -1.446 7.333
99 HA THR 17 HA THR 17 -1.042 -0.898 4.764
100 HB THR 17 HB THR 17 -3.129 -1.504 6.107
101 HG1 THR 17 HG1 THR 17 -2.010 -3.070 7.859
102 HG21 THR 17 HG21 THR 17 -2.020 -3.016 4.500
103 HG22 THR 17 HG22 THR 17 -2.688 -3.900 5.872
104 HG23 THR 17 HG23 THR 17 -0.954 -3.583 5.784
105 H VAL 18 H VAL 18 -0.555 0.496 7.926
106 HA VAL 18 HA VAL 18 -2.528 2.550 7.512
107 HB VAL 18 HB VAL 18 -0.384 2.314 9.654
108 HG11 VAL 18 HG11 VAL 18 -2.746 4.190 9.479
109 HG12 VAL 18 HG12 VAL 18 -1.041 4.640 9.386
110 HG13 VAL 18 HG13 VAL 18 -1.705 3.996 10.889
111 HG21 VAL 18 HG21 VAL 18 -3.336 1.700 9.737
112 HG22 VAL 18 HG22 VAL 18 -2.240 1.629 11.115
113 HG23 VAL 18 HG23 VAL 18 -2.031 0.516 9.762
114 H CYS 19 H CYS 19 -2.215 4.139 6.201
115 HA CYS 19 HA CYS 19 0.317 4.812 5.103
116 HB2 CYS 19 HB2 CYS 19 -2.305 6.294 4.862
117 HB3 CYS 19 HB3 CYS 19 -0.897 6.428 3.806
118 H ALA 20 H ALA 20 1.418 6.748 5.259
119 HA ALA 20 HA ALA 20 1.583 7.914 7.818
120 HB1 ALA 20 HB1 ALA 20 2.700 8.895 5.201
121 HB2 ALA 20 HB2 ALA 20 3.490 7.763 6.300
122 HB3 ALA 20 HB3 ALA 20 3.200 9.428 6.804
123 H SER 21 H SER 21 1.146 10.028 8.477
124 HA SER 21 HA SER 21 -1.319 11.064 8.073
125 HB2 SER 21 HB2 SER 21 1.166 12.612 8.796
126 HB3 SER 21 HB3 SER 21 -0.498 12.986 9.263
127 HG SER 21 HG SER 21 1.054 11.720 10.745
128 H GLY 22 H GLY 22 -2.246 11.861 6.335
129 HA2 GLY 22 HA2 GLY 22 -2.396 13.811 4.890
130 HA3 GLY 22 HA3 GLY 22 -0.678 13.616 4.571
131 H THR 23 H THR 23 -1.363 10.584 4.568
132 HA THR 23 HA THR 23 -2.308 10.582 1.770
133 HB THR 23 HB THR 23 -0.865 8.608 1.341
134 HG1 THR 23 HG1 THR 23 -0.274 8.941 4.089
135 HG21 THR 23 HG21 THR 23 0.639 10.945 2.514
136 HG22 THR 23 HG22 THR 23 0.029 10.827 0.864
137 HG23 THR 23 HG23 THR 23 1.305 9.741 1.409
138 H THR 24 H THR 24 -3.650 8.850 1.115
139 HA THR 24 HA THR 24 -4.593 7.181 3.320
140 HB THR 24 HB THR 24 -6.915 7.375 2.160
141 HG1 THR 24 HG1 THR 24 -5.654 9.778 1.378
142 HG21 THR 24 HG21 THR 24 -6.462 8.146 4.434
143 HG22 THR 24 HG22 THR 24 -7.512 9.282 3.591
144 HG23 THR 24 HG23 THR 24 -5.799 9.654 3.802
145 H CYS 25 H CYS 25 -5.494 5.194 2.752
146 HA CYS 25 HA CYS 25 -4.094 3.916 0.662
147 HB2 CYS 25 HB2 CYS 25 -4.595 2.806 2.787
148 HB3 CYS 25 HB3 CYS 25 -6.319 2.906 2.438
149 H GLN 26 H GLN 26 -4.649 4.146 -1.382
150 HA GLN 26 HA GLN 26 -7.470 4.266 -2.083
151 HB2 GLN 26 HB2 GLN 26 -5.032 4.718 -3.815
152 HB3 GLN 26 HB3 GLN 26 -6.702 5.044 -4.249
153 HG2 GLN 26 HG2 GLN 26 -5.106 6.475 -2.135
154 HG3 GLN 26 HG3 GLN 26 -5.496 7.086 -3.740
155 HE21 GLN 26 HE21 GLN 26 -6.060 8.116 -1.104
156 HE22 GLN 26 HE22 GLN 26 -7.745 8.368 -1.012
157 H VAL 27 H VAL 27 -8.279 2.326 -2.555
158 HA VAL 27 HA VAL 27 -6.542 0.145 -3.240
159 HB VAL 27 HB VAL 27 -9.583 0.212 -3.196
160 HG11 VAL 27 HG11 VAL 27 -7.681 -2.134 -3.210
161 HG12 VAL 27 HG12 VAL 27 -8.638 -1.592 -4.576
162 HG13 VAL 27 HG13 VAL 27 -9.444 -2.231 -3.134
163 HG21 VAL 27 HG21 VAL 27 -7.636 -0.760 -1.107
164 HG22 VAL 27 HG22 VAL 27 -9.392 -0.901 -1.021
165 HG23 VAL 27 HG23 VAL 27 -8.630 0.692 -0.998
166 H LEU 28 H LEU 28 -5.631 0.502 -5.110
167 HA LEU 28 HA LEU 28 -6.924 1.637 -7.398
168 HB2 LEU 28 HB2 LEU 28 -4.301 0.173 -7.103
169 HB3 LEU 28 HB3 LEU 28 -4.825 0.968 -8.566
170 HG LEU 28 HG LEU 28 -4.347 2.408 -5.949
171 HD11 LEU 28 HD11 LEU 28 -2.617 2.176 -8.412
172 HD12 LEU 28 HD12 LEU 28 -2.273 1.466 -6.832
173 HD13 LEU 28 HD13 LEU 28 -2.304 3.217 -7.024
174 HD21 LEU 28 HD21 LEU 28 -5.915 3.520 -7.428
175 HD22 LEU 28 HD22 LEU 28 -4.765 3.307 -8.757
176 HD23 LEU 28 HD23 LEU 28 -4.356 4.374 -7.410
177 H ASN 29 H ASN 29 -5.844 -1.542 -6.439
178 HA ASN 29 HA ASN 29 -7.449 -2.813 -8.509
179 HB2 ASN 29 HB2 ASN 29 -4.520 -3.293 -7.827
180 HB3 ASN 29 HB3 ASN 29 -5.485 -4.353 -8.841
181 HD21 ASN 29 HD21 ASN 29 -3.051 -2.535 -9.293
182 HD22 ASN 29 HD22 ASN 29 -3.478 -1.678 -10.718
183 HA PRO 30 HA PRO 30 -8.679 -5.465 -5.176
184 HB2 PRO 30 HB2 PRO 30 -7.536 -7.860 -6.516
185 HB3 PRO 30 HB3 PRO 30 -9.182 -7.569 -5.941
186 HG2 PRO 30 HG2 PRO 30 -8.651 -7.488 -8.539
187 HG3 PRO 30 HG3 PRO 30 -9.756 -6.312 -7.802
188 HD2 PRO 30 HD2 PRO 30 -6.906 -5.971 -8.638
189 HD3 PRO 30 HD3 PRO 30 -8.277 -4.853 -8.818
190 H TYR 31 H TYR 31 -5.430 -6.362 -6.342
191 HA TYR 31 HA TYR 31 -4.758 -7.038 -3.561
192 HB2 TYR 31 HB2 TYR 31 -3.284 -7.804 -6.112
193 HB3 TYR 31 HB3 TYR 31 -2.848 -8.293 -4.486
194 HD1 TYR 31 HD1 TYR 31 -3.780 -10.226 -3.535
195 HD2 TYR 31 HD2 TYR 31 -5.559 -8.603 -7.030
196 HE1 TYR 31 HE1 TYR 31 -5.236 -12.203 -3.708
197 HE2 TYR 31 HE2 TYR 31 -7.021 -10.572 -7.207
198 HH TYR 31 HH TYR 31 -7.006 -12.903 -6.472
199 H TYR 32 H TYR 32 -3.978 -4.897 -6.217
200 HA TYR 32 HA TYR 32 -1.831 -3.786 -4.605
201 HB2 TYR 32 HB2 TYR 32 -1.379 -4.114 -7.025
202 HB3 TYR 32 HB3 TYR 32 -2.608 -2.909 -7.393
203 HD1 TYR 32 HD1 TYR 32 -1.885 -0.711 -7.727
204 HD2 TYR 32 HD2 TYR 32 0.407 -3.300 -5.266
205 HE1 TYR 32 HE1 TYR 32 -0.211 1.063 -7.429
206 HE2 TYR 32 HE2 TYR 32 2.096 -1.552 -4.968
207 HH TYR 32 HH TYR 32 2.881 0.425 -6.096
208 H SER 33 H SER 33 -2.257 -2.327 -3.196
209 HA SER 33 HA SER 33 -4.271 -0.290 -3.788
210 HB2 SER 33 HB2 SER 33 -3.580 -1.497 -1.088
211 HB3 SER 33 HB3 SER 33 -4.886 -0.364 -1.432
212 HG SER 33 HG SER 33 -5.944 -2.262 -1.538
213 H GLN 34 H GLN 34 -3.541 1.864 -3.063
214 HA GLN 34 HA GLN 34 -0.743 1.935 -2.202
215 HB2 GLN 34 HB2 GLN 34 -0.544 2.020 -4.555
216 HB3 GLN 34 HB3 GLN 34 -1.852 3.172 -4.710
217 HG2 GLN 34 HG2 GLN 34 -0.512 4.897 -3.738
218 HG3 GLN 34 HG3 GLN 34 0.788 3.746 -3.393
219 HE21 GLN 34 HE21 GLN 34 2.082 3.071 -5.050
220 HE22 GLN 34 HE22 GLN 34 2.101 3.832 -6.588
221 H CYS 35 H CYS 35 -0.208 3.588 -0.859
222 HA CYS 35 HA CYS 35 -2.306 5.321 0.109
223 HB2 CYS 35 HB2 CYS 35 0.652 5.470 0.804
224 HB3 CYS 35 HB3 CYS 35 -0.669 6.254 1.624
225 H LEU 36 H LEU 36 -2.875 7.063 -0.898
226 HA LEU 36 HA LEU 36 -0.857 8.587 -2.330
227 HB2 LEU 36 HB2 LEU 36 -3.739 8.090 -3.045
228 HB3 LEU 36 HB3 LEU 36 -2.791 9.371 -3.769
229 HG LEU 36 HG LEU 36 -2.111 6.433 -3.949
230 HD11 LEU 36 HD11 LEU 36 -2.777 6.621 -6.280
231 HD12 LEU 36 HD12 LEU 36 -3.341 8.274 -5.999
232 HD13 LEU 36 HD13 LEU 36 -4.135 6.912 -5.202
233 HD21 LEU 36 HD21 LEU 36 -0.527 7.188 -5.665
234 HD22 LEU 36 HD22 LEU 36 -0.147 7.839 -4.080
235 HD23 LEU 36 HD23 LEU 36 -0.931 8.861 -5.287
236 H2 BGC 101 H2 BGC 101 8.282 2.404 0.488
237 H3 BGC 101 H3 BGC 101 5.696 0.893 0.791
238 H4 BGC 101 H4 BGC 101 8.499 0.427 1.940
239 H5 BGC 101 H5 BGC 101 5.850 1.217 3.307
240 H6C1 BGC 101 H61 BGC 101 8.724 0.898 4.231
241 H6C2 BGC 101 H62 BGC 101 7.329 -0.028 4.812
242 H1 BGC 101 H1 BGC 101 5.558 3.035 1.709
243 HB BGC 101 HO2 BGC 101 7.002 2.129 -1.399
244 HC BGC 101 HO3 BGC 101 8.187 0.067 -0.390
245 HD BGC 101 HO4 BGC 101 6.016 -0.967 2.231
246 H6 BGC 101 HO6 BGC 101 7.513 2.810 4.990
Start of MODEL 19
1 H1 THR 1 H1 THR 1 5.199 2.726 9.365
2 H2 THR 1 H2 THR 1 3.874 1.661 9.247
3 H3 THR 1 H3 THR 1 3.986 2.759 10.526
4 HA THR 1 HA THR 1 2.380 3.379 8.857
5 HB THR 1 HB THR 1 4.669 5.335 9.198
6 HG1 THR 1 HG1 THR 1 2.706 5.284 11.148
7 HG21 THR 1 HG21 THR 1 1.658 5.653 9.202
8 HG22 THR 1 HG22 THR 1 2.734 6.081 7.873
9 HG23 THR 1 HG23 THR 1 2.834 6.954 9.403
10 H GLN 2 H GLN 2 2.042 2.995 6.778
11 HA GLN 2 HA GLN 2 4.139 2.473 4.933
12 HB2 GLN 2 HB2 GLN 2 1.964 1.301 4.895
13 HB3 GLN 2 HB3 GLN 2 1.165 2.807 4.480
14 HG2 GLN 2 HG2 GLN 2 1.453 1.387 2.536
15 HG3 GLN 2 HG3 GLN 2 2.379 2.879 2.373
16 HE21 GLN 2 HE21 GLN 2 2.513 -0.511 2.832
17 HE22 GLN 2 HE22 GLN 2 4.186 -0.729 2.504
18 H SER 3 H SER 3 5.143 3.824 3.631
19 HA SER 3 HA SER 3 4.595 6.583 3.790
20 HB2 SER 3 HB2 SER 3 6.594 6.903 2.521
21 HB3 SER 3 HB3 SER 3 6.910 5.658 3.712
22 H HIS 4 H HIS 4 4.744 7.908 1.748
23 HA HIS 4 HA HIS 4 2.414 7.562 0.235
24 HB2 HIS 4 HB2 HIS 4 3.712 9.720 0.726
25 HB3 HIS 4 HB3 HIS 4 4.814 9.232 -0.545
26 HD1 HIS 4 HD1 HIS 4 4.062 11.556 -1.669
27 HD2 HIS 4 HD2 HIS 4 1.102 8.655 -1.415
28 HE1 HIS 4 HE1 HIS 4 2.215 12.330 -3.166
29 HE2 HIS 4 HE2 HIS 4 0.372 10.775 -2.746
30 H TYR 5 H TYR 5 2.014 6.519 -1.636
31 HA TYR 5 HA TYR 5 2.178 5.376 -3.484
32 HB2 TYR 5 HB2 TYR 5 5.125 6.038 -3.477
33 HB3 TYR 5 HB3 TYR 5 4.382 5.032 -4.709
34 HD1 TYR 5 HD1 TYR 5 4.877 8.406 -3.494
35 HD2 TYR 5 HD2 TYR 5 2.700 6.020 -6.250
36 HE1 TYR 5 HE1 TYR 5 4.271 10.418 -4.752
37 HE2 TYR 5 HE2 TYR 5 2.087 8.031 -7.519
38 HH TYR 5 HH TYR 5 3.613 10.990 -7.036
39 H GLY 6 H GLY 6 3.244 4.388 -0.616
40 HA2 GLY 6 HA2 GLY 6 4.283 1.839 -1.420
41 HA3 GLY 6 HA3 GLY 6 3.890 2.353 0.215
42 H GLN 7 H GLN 7 3.249 -0.153 -1.190
43 HA GLN 7 HA GLN 7 0.483 -0.225 -1.695
44 HB2 GLN 7 HB2 GLN 7 1.966 -1.952 -2.557
45 HB3 GLN 7 HB3 GLN 7 2.417 -2.429 -0.926
46 HG2 GLN 7 HG2 GLN 7 0.108 -3.171 -0.532
47 HG3 GLN 7 HG3 GLN 7 -0.312 -2.704 -2.175
48 HE21 GLN 7 HE21 GLN 7 -0.922 -4.907 -2.656
49 HE22 GLN 7 HE22 GLN 7 0.283 -6.082 -2.929
50 H CYS 8 H CYS 8 -1.032 0.148 -0.291
51 HA CYS 8 HA CYS 8 -0.425 0.170 2.555
52 HB2 CYS 8 HB2 CYS 8 -2.612 1.325 2.740
53 HB3 CYS 8 HB3 CYS 8 -1.410 2.134 1.745
54 H GLY 9 H GLY 9 -1.513 -2.224 0.728
55 HA2 GLY 9 HA2 GLY 9 -2.142 -4.142 2.267
56 HA3 GLY 9 HA3 GLY 9 -3.353 -3.034 2.886
57 H GLY 10 H GLY 10 -2.264 -4.526 -0.057
58 HA2 GLY 10 HA2 GLY 10 -5.052 -4.779 -0.927
59 HA3 GLY 10 HA3 GLY 10 -3.614 -5.060 -1.914
60 H ILE 11 H ILE 11 -5.513 -7.040 -1.768
61 HA ILE 11 HA ILE 11 -5.019 -8.908 0.248
62 HB ILE 11 HB ILE 11 -5.883 -9.398 -2.616
63 HG12 ILE 11 HG12 ILE 11 -7.510 -9.202 -0.066
64 HG13 ILE 11 HG13 ILE 11 -7.373 -7.928 -1.268
65 HG21 ILE 11 HG21 ILE 11 -4.958 -11.425 -1.613
66 HG22 ILE 11 HG22 ILE 11 -6.708 -11.571 -1.814
67 HG23 ILE 11 HG23 ILE 11 -6.021 -11.236 -0.218
68 HD11 ILE 11 HD11 ILE 11 -8.459 -9.359 -2.910
69 HD12 ILE 11 HD12 ILE 11 -9.464 -9.148 -1.477
70 HD13 ILE 11 HD13 ILE 11 -8.570 -10.652 -1.718
71 H GLY 12 H GLY 12 -3.315 -10.042 0.726
72 HA2 GLY 12 HA2 GLY 12 -1.629 -11.629 0.098
73 HA3 GLY 12 HA3 GLY 12 -1.378 -10.694 -1.373
74 H TYR 13 H TYR 13 -1.841 -8.435 0.898
75 HA TYR 13 HA TYR 13 1.040 -8.221 1.396
76 HB2 TYR 13 HB2 TYR 13 0.013 -6.409 0.023
77 HB3 TYR 13 HB3 TYR 13 -1.044 -6.025 1.374
78 HD1 TYR 13 HD1 TYR 13 -0.331 -4.482 2.996
79 HD2 TYR 13 HD2 TYR 13 2.497 -6.252 0.403
80 HE1 TYR 13 HE1 TYR 13 1.387 -2.977 3.871
81 HE2 TYR 13 HE2 TYR 13 4.256 -4.741 1.271
82 HH TYR 13 HH TYR 13 3.655 -2.772 4.053
83 H SER 14 H SER 14 1.713 -8.463 3.432
84 HA SER 14 HA SER 14 -0.255 -8.317 5.614
85 HB2 SER 14 HB2 SER 14 2.240 -9.897 5.448
86 HB3 SER 14 HB3 SER 14 0.977 -10.076 6.669
87 HG SER 14 HG SER 14 -0.272 -11.098 5.274
88 H GLY 15 H GLY 15 1.621 -6.242 4.469
89 HA2 GLY 15 HA2 GLY 15 3.448 -5.823 6.746
90 HA3 GLY 15 HA3 GLY 15 3.563 -5.035 5.178
91 HA PRO 16 HA PRO 16 1.742 -1.883 8.149
92 HB2 PRO 16 HB2 PRO 16 2.870 0.193 6.683
93 HB3 PRO 16 HB3 PRO 16 3.605 -0.544 8.111
94 HG2 PRO 16 HG2 PRO 16 4.097 -1.119 5.215
95 HG3 PRO 16 HG3 PRO 16 5.272 -0.960 6.533
96 HD2 PRO 16 HD2 PRO 16 4.590 -3.358 5.660
97 HD3 PRO 16 HD3 PRO 16 4.742 -3.073 7.406
98 H THR 17 H THR 17 -0.257 -1.332 7.770
99 HA THR 17 HA THR 17 -1.137 -0.963 5.016
100 HB THR 17 HB THR 17 -3.439 -1.492 6.051
101 HG1 THR 17 HG1 THR 17 -1.870 -2.779 8.030
102 HG21 THR 17 HG21 THR 17 -3.022 -3.905 5.906
103 HG22 THR 17 HG22 THR 17 -1.285 -3.616 6.017
104 HG23 THR 17 HG23 THR 17 -2.182 -3.048 4.613
105 H VAL 18 H VAL 18 -0.961 0.578 8.118
106 HA VAL 18 HA VAL 18 -2.792 2.679 7.410
107 HB VAL 18 HB VAL 18 -0.804 2.512 9.707
108 HG11 VAL 18 HG11 VAL 18 -2.071 4.407 10.682
109 HG12 VAL 18 HG12 VAL 18 -2.982 4.544 9.176
110 HG13 VAL 18 HG13 VAL 18 -1.242 4.836 9.186
111 HG21 VAL 18 HG21 VAL 18 -2.628 0.867 9.846
112 HG22 VAL 18 HG22 VAL 18 -3.802 2.162 9.664
113 HG23 VAL 18 HG23 VAL 18 -2.775 2.100 11.097
114 H CYS 19 H CYS 19 -2.329 4.193 6.061
115 HA CYS 19 HA CYS 19 0.292 4.698 5.074
116 HB2 CYS 19 HB2 CYS 19 -2.261 6.253 4.638
117 HB3 CYS 19 HB3 CYS 19 -0.770 6.364 3.690
118 H ALA 20 H ALA 20 1.322 6.737 5.059
119 HA ALA 20 HA ALA 20 1.573 7.927 7.603
120 HB1 ALA 20 HB1 ALA 20 2.631 8.846 4.943
121 HB2 ALA 20 HB2 ALA 20 3.427 7.711 6.033
122 HB3 ALA 20 HB3 ALA 20 3.174 9.388 6.530
123 H SER 21 H SER 21 1.404 10.187 8.044
124 HA SER 21 HA SER 21 -1.126 11.218 7.659
125 HB2 SER 21 HB2 SER 21 -0.034 13.298 8.648
126 HB3 SER 21 HB3 SER 21 0.112 11.813 9.590
127 HG SER 21 HG SER 21 2.013 12.945 7.853
128 H GLY 22 H GLY 22 -2.010 12.367 6.063
129 HA2 GLY 22 HA2 GLY 22 -1.976 14.068 4.425
130 HA3 GLY 22 HA3 GLY 22 -0.260 13.760 4.188
131 H THR 23 H THR 23 -1.234 10.747 4.341
132 HA THR 23 HA THR 23 -2.040 10.653 1.513
133 HB THR 23 HB THR 23 -0.733 8.572 1.252
134 HG1 THR 23 HG1 THR 23 -0.351 8.916 4.001
135 HG21 THR 23 HG21 THR 23 0.895 10.841 2.383
136 HG22 THR 23 HG22 THR 23 0.358 10.674 0.709
137 HG23 THR 23 HG23 THR 23 1.514 9.527 1.385
138 H THR 24 H THR 24 -3.493 8.953 0.962
139 HA THR 24 HA THR 24 -4.570 7.495 3.249
140 HB THR 24 HB THR 24 -6.816 7.633 1.996
141 HG1 THR 24 HG1 THR 24 -5.284 9.090 0.340
142 HG21 THR 24 HG21 THR 24 -7.387 9.796 3.037
143 HG22 THR 24 HG22 THR 24 -5.670 10.127 3.268
144 HG23 THR 24 HG23 THR 24 -6.431 8.785 4.118
145 H CYS 25 H CYS 25 -5.278 5.416 2.833
146 HA CYS 25 HA CYS 25 -3.877 4.068 0.787
147 HB2 CYS 25 HB2 CYS 25 -4.360 2.995 2.937
148 HB3 CYS 25 HB3 CYS 25 -6.087 3.091 2.614
149 H GLN 26 H GLN 26 -4.432 3.963 -1.291
150 HA GLN 26 HA GLN 26 -7.252 4.258 -2.063
151 HB2 GLN 26 HB2 GLN 26 -4.793 4.310 -3.820
152 HB3 GLN 26 HB3 GLN 26 -6.430 4.718 -4.288
153 HG2 GLN 26 HG2 GLN 26 -4.663 6.255 -2.408
154 HG3 GLN 26 HG3 GLN 26 -5.056 6.671 -4.075
155 HE21 GLN 26 HE21 GLN 26 -5.409 8.210 -1.718
156 HE22 GLN 26 HE22 GLN 26 -7.081 8.560 -1.588
157 H VAL 27 H VAL 27 -8.249 2.352 -2.469
158 HA VAL 27 HA VAL 27 -6.684 0.032 -3.145
159 HB VAL 27 HB VAL 27 -9.715 0.372 -3.118
160 HG11 VAL 27 HG11 VAL 27 -8.033 -2.134 -3.168
161 HG12 VAL 27 HG12 VAL 27 -8.978 -1.500 -4.508
162 HG13 VAL 27 HG13 VAL 27 -9.794 -2.081 -3.051
163 HG21 VAL 27 HG21 VAL 27 -7.883 -0.783 -1.012
164 HG22 VAL 27 HG22 VAL 27 -9.645 -0.782 -0.950
165 HG23 VAL 27 HG23 VAL 27 -8.761 0.740 -0.899
166 H LEU 28 H LEU 28 -5.779 0.253 -5.045
167 HA LEU 28 HA LEU 28 -7.118 1.510 -7.291
168 HB2 LEU 28 HB2 LEU 28 -4.407 0.183 -7.092
169 HB3 LEU 28 HB3 LEU 28 -4.997 1.067 -8.485
170 HG LEU 28 HG LEU 28 -4.517 2.287 -5.754
171 HD11 LEU 28 HD11 LEU 28 -2.593 3.362 -6.802
172 HD12 LEU 28 HD12 LEU 28 -2.885 2.435 -8.276
173 HD13 LEU 28 HD13 LEU 28 -2.426 1.608 -6.790
174 HD21 LEU 28 HD21 LEU 28 -6.232 3.438 -7.044
175 HD22 LEU 28 HD22 LEU 28 -5.112 3.503 -8.418
176 HD23 LEU 28 HD23 LEU 28 -4.743 4.397 -6.940
177 H ASN 29 H ASN 29 -6.099 -1.643 -6.245
178 HA ASN 29 HA ASN 29 -7.882 -2.903 -8.146
179 HB2 ASN 29 HB2 ASN 29 -4.972 -3.724 -7.737
180 HB3 ASN 29 HB3 ASN 29 -6.171 -4.643 -8.626
181 HD21 ASN 29 HD21 ASN 29 -4.030 -1.960 -8.688
182 HD22 ASN 29 HD22 ASN 29 -4.193 -1.583 -10.361
183 HA PRO 30 HA PRO 30 -8.873 -5.263 -4.525
184 HB2 PRO 30 HB2 PRO 30 -8.186 -7.797 -5.925
185 HB3 PRO 30 HB3 PRO 30 -9.696 -7.340 -5.120
186 HG2 PRO 30 HG2 PRO 30 -9.563 -7.384 -7.772
187 HG3 PRO 30 HG3 PRO 30 -10.436 -6.088 -6.937
188 HD2 PRO 30 HD2 PRO 30 -7.724 -6.031 -8.201
189 HD3 PRO 30 HD3 PRO 30 -8.990 -4.790 -8.215
190 H TYR 31 H TYR 31 -5.900 -6.262 -6.158
191 HA TYR 31 HA TYR 31 -4.842 -7.127 -3.549
192 HB2 TYR 31 HB2 TYR 31 -3.657 -7.607 -6.292
193 HB3 TYR 31 HB3 TYR 31 -3.165 -8.351 -4.781
194 HD1 TYR 31 HD1 TYR 31 -4.391 -10.229 -3.870
195 HD2 TYR 31 HD2 TYR 31 -5.759 -8.321 -7.412
196 HE1 TYR 31 HE1 TYR 31 -5.906 -12.113 -4.294
197 HE2 TYR 31 HE2 TYR 31 -7.287 -10.200 -7.841
198 HH TYR 31 HH TYR 31 -7.962 -12.561 -5.488
199 H TYR 32 H TYR 32 -4.426 -4.783 -6.114
200 HA TYR 32 HA TYR 32 -2.060 -3.801 -4.751
201 HB2 TYR 32 HB2 TYR 32 -1.901 -4.042 -7.199
202 HB3 TYR 32 HB3 TYR 32 -3.166 -2.829 -7.374
203 HD1 TYR 32 HD1 TYR 32 -0.022 -3.140 -5.380
204 HD2 TYR 32 HD2 TYR 32 -2.354 -0.740 -8.026
205 HE1 TYR 32 HE1 TYR 32 1.701 -1.401 -5.313
206 HE2 TYR 32 HE2 TYR 32 -0.639 0.987 -7.969
207 HH TYR 32 HH TYR 32 1.202 1.722 -6.544
208 H SER 33 H SER 33 -2.294 -2.389 -3.208
209 HA SER 33 HA SER 33 -4.256 -0.245 -3.558
210 HB2 SER 33 HB2 SER 33 -3.423 -1.550 -0.939
211 HB3 SER 33 HB3 SER 33 -4.651 -0.300 -1.144
212 HG SER 33 HG SER 33 -5.660 -2.300 -1.002
213 H GLN 34 H GLN 34 -3.396 1.833 -2.967
214 HA GLN 34 HA GLN 34 -0.580 1.876 -2.153
215 HB2 GLN 34 HB2 GLN 34 -0.408 1.881 -4.540
216 HB3 GLN 34 HB3 GLN 34 -1.682 3.074 -4.693
217 HG2 GLN 34 HG2 GLN 34 -0.241 4.769 -3.728
218 HG3 GLN 34 HG3 GLN 34 1.016 3.560 -3.470
219 HE21 GLN 34 HE21 GLN 34 2.303 2.955 -5.157
220 HE22 GLN 34 HE22 GLN 34 2.245 3.707 -6.702
221 H CYS 35 H CYS 35 -0.037 3.570 -0.865
222 HA CYS 35 HA CYS 35 -2.119 5.282 0.113
223 HB2 CYS 35 HB2 CYS 35 0.853 5.477 0.701
224 HB3 CYS 35 HB3 CYS 35 -0.451 6.256 1.558
225 H LEU 36 H LEU 36 -2.826 6.955 -0.906
226 HA LEU 36 HA LEU 36 -0.989 8.863 -2.090
227 HB2 LEU 36 HB2 LEU 36 -3.627 7.928 -3.245
228 HB3 LEU 36 HB3 LEU 36 -2.697 9.272 -3.853
229 HG LEU 36 HG LEU 36 -1.778 6.390 -3.879
230 HD11 LEU 36 HD11 LEU 36 -3.611 6.715 -5.415
231 HD12 LEU 36 HD12 LEU 36 -2.103 6.548 -6.309
232 HD13 LEU 36 HD13 LEU 36 -2.826 8.142 -6.090
233 HD21 LEU 36 HD21 LEU 36 0.015 7.212 -5.323
234 HD22 LEU 36 HD22 LEU 36 0.080 7.979 -3.740
235 HD23 LEU 36 HD23 LEU 36 -0.575 8.860 -5.122
236 H2 BGC 101 H2 BGC 101 8.369 3.144 0.778
237 H3 BGC 101 H3 BGC 101 6.000 1.257 1.049
238 H4 BGC 101 H4 BGC 101 8.850 1.206 2.124
239 H5 BGC 101 H5 BGC 101 6.115 1.546 3.522
240 H6C1 BGC 101 H61 BGC 101 8.987 1.581 4.543
241 H6C2 BGC 101 H62 BGC 101 7.705 0.450 5.045
242 H1 BGC 101 H1 BGC 101 5.610 3.387 1.990
243 HB BGC 101 HO2 BGC 101 6.769 4.323 -0.404
244 HC BGC 101 HO3 BGC 101 7.182 1.118 -0.948
245 HD BGC 101 HO4 BGC 101 7.891 -0.819 1.561
246 H6 BGC 101 HO6 BGC 101 7.160 3.196 5.299
Start of MODEL 20
1 H1 THR 1 H1 THR 1 4.840 2.423 10.059
2 H2 THR 1 H2 THR 1 5.925 2.851 8.835
3 H3 THR 1 H3 THR 1 5.024 1.440 8.691
4 HA THR 1 HA THR 1 3.002 2.762 8.584
5 HB THR 1 HB THR 1 4.886 5.126 8.478
6 HG1 THR 1 HG1 THR 1 4.350 5.452 10.664
7 HG21 THR 1 HG21 THR 1 2.834 6.377 9.008
8 HG22 THR 1 HG22 THR 1 1.928 4.868 9.078
9 HG23 THR 1 HG23 THR 1 2.612 5.414 7.546
10 H GLN 2 H GLN 2 2.296 3.182 6.425
11 HA GLN 2 HA GLN 2 4.313 2.501 4.483
12 HB2 GLN 2 HB2 GLN 2 2.128 1.310 4.544
13 HB3 GLN 2 HB3 GLN 2 1.337 2.820 4.111
14 HG2 GLN 2 HG2 GLN 2 1.654 1.339 2.185
15 HG3 GLN 2 HG3 GLN 2 2.501 2.878 2.003
16 HE21 GLN 2 HE21 GLN 2 2.847 -0.522 2.484
17 HE22 GLN 2 HE22 GLN 2 4.536 -0.605 2.156
18 H SER 3 H SER 3 5.305 3.969 3.306
19 HA SER 3 HA SER 3 4.676 6.681 3.414
20 HB2 SER 3 HB2 SER 3 6.550 7.009 1.912
21 HB3 SER 3 HB3 SER 3 6.985 5.854 3.155
22 H HIS 4 H HIS 4 4.603 8.028 1.376
23 HA HIS 4 HA HIS 4 2.127 7.601 0.084
24 HB2 HIS 4 HB2 HIS 4 3.282 9.809 0.682
25 HB3 HIS 4 HB3 HIS 4 4.344 9.515 -0.673
26 HD1 HIS 4 HD1 HIS 4 3.557 11.678 -1.814
27 HD2 HIS 4 HD2 HIS 4 0.512 8.960 -1.139
28 HE1 HIS 4 HE1 HIS 4 1.533 12.605 -2.993
29 HE2 HIS 4 HE2 HIS 4 -0.295 11.164 -2.254
30 H TYR 5 H TYR 5 1.709 6.616 -1.803
31 HA TYR 5 HA TYR 5 1.851 5.557 -3.711
32 HB2 TYR 5 HB2 TYR 5 4.758 6.381 -3.914
33 HB3 TYR 5 HB3 TYR 5 3.893 5.497 -5.146
34 HD1 TYR 5 HD1 TYR 5 4.356 8.764 -3.615
35 HD2 TYR 5 HD2 TYR 5 2.131 6.559 -6.475
36 HE1 TYR 5 HE1 TYR 5 3.563 10.859 -4.605
37 HE2 TYR 5 HE2 TYR 5 1.330 8.655 -7.475
38 HH TYR 5 HH TYR 5 2.708 11.627 -6.815
39 H GLY 6 H GLY 6 3.050 4.569 -0.968
40 HA2 GLY 6 HA2 GLY 6 4.230 2.092 -1.884
41 HA3 GLY 6 HA3 GLY 6 3.970 2.585 -0.214
42 H GLN 7 H GLN 7 3.346 0.072 -0.793
43 HA GLN 7 HA GLN 7 0.586 -0.134 -1.616
44 HB2 GLN 7 HB2 GLN 7 2.228 -1.784 -2.408
45 HB3 GLN 7 HB3 GLN 7 2.534 -2.271 -0.749
46 HG2 GLN 7 HG2 GLN 7 0.254 -3.095 -0.555
47 HG3 GLN 7 HG3 GLN 7 -0.090 -2.558 -2.196
48 HE21 GLN 7 HE21 GLN 7 -0.589 -4.727 -2.872
49 HE22 GLN 7 HE22 GLN 7 0.704 -5.825 -3.112
50 H CYS 8 H CYS 8 -0.952 0.183 -0.244
51 HA CYS 8 HA CYS 8 -0.396 0.117 2.623
52 HB2 CYS 8 HB2 CYS 8 -2.558 1.343 2.768
53 HB3 CYS 8 HB3 CYS 8 -1.272 2.140 1.861
54 H GLY 9 H GLY 9 -1.210 -2.339 0.926
55 HA2 GLY 9 HA2 GLY 9 -2.006 -4.249 2.341
56 HA3 GLY 9 HA3 GLY 9 -3.193 -3.126 2.961
57 H GLY 10 H GLY 10 -2.204 -4.851 0.104
58 HA2 GLY 10 HA2 GLY 10 -4.978 -4.796 -0.862
59 HA3 GLY 10 HA3 GLY 10 -3.562 -5.331 -1.761
60 H ILE 11 H ILE 11 -5.440 -7.107 -1.911
61 HA ILE 11 HA ILE 11 -5.738 -8.963 0.136
62 HB ILE 11 HB ILE 11 -5.626 -9.481 -2.855
63 HG12 ILE 11 HG12 ILE 11 -7.987 -9.058 -1.007
64 HG13 ILE 11 HG13 ILE 11 -7.376 -7.885 -2.162
65 HG21 ILE 11 HG21 ILE 11 -6.883 -11.552 -2.365
66 HG22 ILE 11 HG22 ILE 11 -6.668 -11.246 -0.639
67 HG23 ILE 11 HG23 ILE 11 -5.265 -11.556 -1.662
68 HD11 ILE 11 HD11 ILE 11 -9.366 -8.987 -3.008
69 HD12 ILE 11 HD12 ILE 11 -8.591 -10.561 -2.825
70 HD13 ILE 11 HD13 ILE 11 -7.963 -9.405 -3.996
71 H GLY 12 H GLY 12 -4.229 -10.030 1.225
72 HA2 GLY 12 HA2 GLY 12 -2.627 -11.801 1.275
73 HA3 GLY 12 HA3 GLY 12 -2.018 -11.238 -0.272
74 H TYR 13 H TYR 13 -2.067 -8.446 0.593
75 HA TYR 13 HA TYR 13 0.529 -8.525 1.901
76 HB2 TYR 13 HB2 TYR 13 0.279 -7.249 -0.224
77 HB3 TYR 13 HB3 TYR 13 -0.875 -6.191 0.576
78 HD1 TYR 13 HD1 TYR 13 2.651 -7.172 0.382
79 HD2 TYR 13 HD2 TYR 13 -0.123 -4.455 2.075
80 HE1 TYR 13 HE1 TYR 13 4.513 -5.722 1.092
81 HE2 TYR 13 HE2 TYR 13 1.704 -3.008 2.797
82 HH TYR 13 HH TYR 13 4.857 -3.375 1.633
83 H SER 14 H SER 14 0.343 -8.577 3.999
84 HA SER 14 HA SER 14 -1.589 -6.838 5.332
85 HB2 SER 14 HB2 SER 14 -0.244 -9.310 6.248
86 HB3 SER 14 HB3 SER 14 -1.526 -8.470 7.132
87 HG SER 14 HG SER 14 -2.545 -8.859 4.797
88 H GLY 15 H GLY 15 1.110 -6.151 4.350
89 HA2 GLY 15 HA2 GLY 15 2.869 -6.012 6.628
90 HA3 GLY 15 HA3 GLY 15 3.148 -5.277 5.055
91 HA PRO 16 HA PRO 16 2.179 -1.662 7.650
92 HB2 PRO 16 HB2 PRO 16 3.368 0.157 5.944
93 HB3 PRO 16 HB3 PRO 16 4.202 -0.655 7.269
94 HG2 PRO 16 HG2 PRO 16 4.270 -1.232 4.355
95 HG3 PRO 16 HG3 PRO 16 5.543 -1.419 5.568
96 HD2 PRO 16 HD2 PRO 16 4.061 -3.489 4.537
97 HD3 PRO 16 HD3 PRO 16 4.862 -3.529 6.117
98 H THR 17 H THR 17 0.060 -1.521 7.354
99 HA THR 17 HA THR 17 -0.978 -0.929 4.709
100 HB THR 17 HB THR 17 -3.179 -1.570 5.730
101 HG1 THR 17 HG1 THR 17 -3.226 -2.365 7.737
102 HG21 THR 17 HG21 THR 17 -2.689 -3.972 5.766
103 HG22 THR 17 HG22 THR 17 -0.976 -3.623 5.995
104 HG23 THR 17 HG23 THR 17 -1.757 -3.187 4.483
105 H VAL 18 H VAL 18 -0.486 0.502 7.787
106 HA VAL 18 HA VAL 18 -2.481 2.547 7.394
107 HB VAL 18 HB VAL 18 -0.261 2.396 9.457
108 HG11 VAL 18 HG11 VAL 18 -1.604 4.010 10.728
109 HG12 VAL 18 HG12 VAL 18 -2.751 4.090 9.390
110 HG13 VAL 18 HG13 VAL 18 -1.096 4.659 9.169
111 HG21 VAL 18 HG21 VAL 18 -3.153 1.572 9.698
112 HG22 VAL 18 HG22 VAL 18 -1.978 1.596 11.014
113 HG23 VAL 18 HG23 VAL 18 -1.765 0.487 9.660
114 H CYS 19 H CYS 19 -2.144 4.286 6.234
115 HA CYS 19 HA CYS 19 0.407 4.696 5.013
116 HB2 CYS 19 HB2 CYS 19 -2.182 6.224 4.722
117 HB3 CYS 19 HB3 CYS 19 -0.745 6.405 3.721
118 H ALA 20 H ALA 20 1.505 6.633 4.970
119 HA ALA 20 HA ALA 20 2.122 7.859 7.361
120 HB1 ALA 20 HB1 ALA 20 3.585 7.854 5.393
121 HB2 ALA 20 HB2 ALA 20 3.347 9.489 6.014
122 HB3 ALA 20 HB3 ALA 20 2.481 8.956 4.574
123 H SER 21 H SER 21 1.764 9.968 8.127
124 HA SER 21 HA SER 21 -0.839 10.825 8.290
125 HB2 SER 21 HB2 SER 21 1.615 12.524 8.687
126 HB3 SER 21 HB3 SER 21 0.091 12.587 9.578
127 HG SER 21 HG SER 21 1.419 11.491 10.871
128 H GLY 22 H GLY 22 -2.031 11.610 6.662
129 HA2 GLY 22 HA2 GLY 22 -2.514 13.597 5.375
130 HA3 GLY 22 HA3 GLY 22 -0.805 13.662 4.953
131 H THR 23 H THR 23 -1.345 10.525 4.786
132 HA THR 23 HA THR 23 -2.270 10.713 1.995
133 HB THR 23 HB THR 23 -0.832 8.745 1.445
134 HG1 THR 23 HG1 THR 23 -0.338 8.894 4.196
135 HG21 THR 23 HG21 THR 23 0.035 11.002 1.085
136 HG22 THR 23 HG22 THR 23 1.322 9.899 1.568
137 HG23 THR 23 HG23 THR 23 0.651 11.034 2.738
138 H THR 24 H THR 24 -3.610 9.035 1.237
139 HA THR 24 HA THR 24 -4.747 7.366 3.374
140 HB THR 24 HB THR 24 -6.963 7.633 2.081
141 HG1 THR 24 HG1 THR 24 -5.472 9.073 0.448
142 HG21 THR 24 HG21 THR 24 -6.568 8.583 4.310
143 HG22 THR 24 HG22 THR 24 -7.504 9.693 3.306
144 HG23 THR 24 HG23 THR 24 -5.788 9.982 3.574
145 H CYS 25 H CYS 25 -5.457 5.299 2.841
146 HA CYS 25 HA CYS 25 -3.982 4.105 0.729
147 HB2 CYS 25 HB2 CYS 25 -4.350 2.970 2.865
148 HB3 CYS 25 HB3 CYS 25 -6.083 2.928 2.535
149 H GLN 26 H GLN 26 -4.586 4.141 -1.341
150 HA GLN 26 HA GLN 26 -7.428 4.115 -1.968
151 HB2 GLN 26 HB2 GLN 26 -5.085 4.542 -3.818
152 HB3 GLN 26 HB3 GLN 26 -6.778 4.820 -4.173
153 HG2 GLN 26 HG2 GLN 26 -5.050 6.367 -2.276
154 HG3 GLN 26 HG3 GLN 26 -5.639 6.912 -3.840
155 HE21 GLN 26 HE21 GLN 26 -5.915 8.132 -1.322
156 HE22 GLN 26 HE22 GLN 26 -7.586 8.284 -0.951
157 H VAL 27 H VAL 27 -8.248 2.231 -2.698
158 HA VAL 27 HA VAL 27 -6.399 0.057 -3.216
159 HB VAL 27 HB VAL 27 -9.434 0.000 -3.295
160 HG11 VAL 27 HG11 VAL 27 -9.173 -2.440 -3.118
161 HG12 VAL 27 HG12 VAL 27 -7.421 -2.237 -3.131
162 HG13 VAL 27 HG13 VAL 27 -8.358 -1.805 -4.554
163 HG21 VAL 27 HG21 VAL 27 -9.310 -1.042 -1.070
164 HG22 VAL 27 HG22 VAL 27 -8.659 0.599 -1.064
165 HG23 VAL 27 HG23 VAL 27 -7.565 -0.782 -1.059
166 H LEU 28 H LEU 28 -5.512 0.152 -5.119
167 HA LEU 28 HA LEU 28 -6.903 1.306 -7.397
168 HB2 LEU 28 HB2 LEU 28 -4.132 0.120 -7.198
169 HB3 LEU 28 HB3 LEU 28 -4.765 0.984 -8.577
170 HG LEU 28 HG LEU 28 -4.226 2.179 -5.854
171 HD11 LEU 28 HD11 LEU 28 -2.779 2.458 -8.481
172 HD12 LEU 28 HD12 LEU 28 -2.205 1.609 -7.044
173 HD13 LEU 28 HD13 LEU 28 -2.419 3.357 -7.005
174 HD21 LEU 28 HD21 LEU 28 -4.618 4.299 -6.944
175 HD22 LEU 28 HD22 LEU 28 -6.073 3.287 -7.000
176 HD23 LEU 28 HD23 LEU 28 -5.039 3.455 -8.434
177 H ASN 29 H ASN 29 -5.377 -1.723 -6.474
178 HA ASN 29 HA ASN 29 -7.009 -3.146 -8.455
179 HB2 ASN 29 HB2 ASN 29 -4.175 -3.895 -7.551
180 HB3 ASN 29 HB3 ASN 29 -5.195 -4.820 -8.629
181 HD21 ASN 29 HD21 ASN 29 -4.723 -1.349 -8.843
182 HD22 ASN 29 HD22 ASN 29 -3.837 -1.389 -10.328
183 HA PRO 30 HA PRO 30 -8.296 -5.348 -4.823
184 HB2 PRO 30 HB2 PRO 30 -7.497 -7.952 -6.021
185 HB3 PRO 30 HB3 PRO 30 -9.067 -7.443 -5.398
186 HG2 PRO 30 HG2 PRO 30 -8.669 -7.634 -8.004
187 HG3 PRO 30 HG3 PRO 30 -9.623 -6.294 -7.337
188 HD2 PRO 30 HD2 PRO 30 -6.793 -6.317 -8.304
189 HD3 PRO 30 HD3 PRO 30 -8.037 -5.083 -8.558
190 H TYR 31 H TYR 31 -5.210 -6.466 -6.182
191 HA TYR 31 HA TYR 31 -4.325 -7.098 -3.454
192 HB2 TYR 31 HB2 TYR 31 -3.015 -7.632 -6.132
193 HB3 TYR 31 HB3 TYR 31 -2.315 -8.042 -4.582
194 HD1 TYR 31 HD1 TYR 31 -5.579 -8.607 -6.362
195 HD2 TYR 31 HD2 TYR 31 -2.466 -10.244 -3.988
196 HE1 TYR 31 HE1 TYR 31 -6.671 -10.800 -6.456
197 HE2 TYR 31 HE2 TYR 31 -3.546 -12.424 -4.060
198 HH TYR 31 HH TYR 31 -6.105 -13.101 -6.213
199 H TYR 32 H TYR 32 -3.845 -4.785 -6.007
200 HA TYR 32 HA TYR 32 -1.650 -3.665 -4.476
201 HB2 TYR 32 HB2 TYR 32 -1.267 -3.925 -6.909
202 HB3 TYR 32 HB3 TYR 32 -2.533 -2.734 -7.212
203 HD1 TYR 32 HD1 TYR 32 -1.870 -0.524 -7.527
204 HD2 TYR 32 HD2 TYR 32 0.543 -3.105 -5.151
205 HE1 TYR 32 HE1 TYR 32 -0.243 1.291 -7.211
206 HE2 TYR 32 HE2 TYR 32 2.179 -1.310 -4.834
207 HH TYR 32 HH TYR 32 2.867 0.672 -5.749
208 H SER 33 H SER 33 -2.079 -2.274 -2.986
209 HA SER 33 HA SER 33 -4.140 -0.265 -3.477
210 HB2 SER 33 HB2 SER 33 -3.214 -1.449 -0.828
211 HB3 SER 33 HB3 SER 33 -4.489 -0.247 -1.038
212 HG SER 33 HG SER 33 -5.736 -1.928 -1.172
213 H GLN 34 H GLN 34 -3.431 1.889 -2.968
214 HA GLN 34 HA GLN 34 -0.581 2.129 -2.322
215 HB2 GLN 34 HB2 GLN 34 -0.699 2.180 -4.723
216 HB3 GLN 34 HB3 GLN 34 -2.002 3.356 -4.677
217 HG2 GLN 34 HG2 GLN 34 -0.501 5.020 -3.770
218 HG3 GLN 34 HG3 GLN 34 0.797 3.825 -3.730
219 HE21 GLN 34 HE21 GLN 34 1.854 3.326 -5.576
220 HE22 GLN 34 HE22 GLN 34 1.596 4.137 -7.079
221 H CYS 35 H CYS 35 -0.102 3.775 -0.992
222 HA CYS 35 HA CYS 35 -2.232 5.338 0.134
223 HB2 CYS 35 HB2 CYS 35 0.745 5.687 0.623
224 HB3 CYS 35 HB3 CYS 35 -0.568 6.361 1.548
225 H LEU 36 H LEU 36 -3.042 7.051 -0.704
226 HA LEU 36 HA LEU 36 -1.415 9.109 -1.930
227 HB2 LEU 36 HB2 LEU 36 -4.004 8.010 -3.077
228 HB3 LEU 36 HB3 LEU 36 -3.137 9.400 -3.677
229 HG LEU 36 HG LEU 36 -2.110 6.564 -3.772
230 HD11 LEU 36 HD11 LEU 36 -4.010 6.854 -5.251
231 HD12 LEU 36 HD12 LEU 36 -2.521 6.748 -6.188
232 HD13 LEU 36 HD13 LEU 36 -3.287 8.313 -5.922
233 HD21 LEU 36 HD21 LEU 36 -0.398 7.496 -5.249
234 HD22 LEU 36 HD22 LEU 36 -0.327 8.225 -3.645
235 HD23 LEU 36 HD23 LEU 36 -1.055 9.111 -4.988
236 H2 BGC 101 H2 BGC 101 8.385 3.183 0.327
237 H3 BGC 101 H3 BGC 101 6.161 1.211 0.924
238 H4 BGC 101 H4 BGC 101 9.059 1.404 1.865
239 H5 BGC 101 H5 BGC 101 6.373 1.790 3.355
240 H6C1 BGC 101 H61 BGC 101 9.292 1.910 4.223
241 H6C2 BGC 101 H62 BGC 101 7.987 0.949 4.943
242 H1 BGC 101 H1 BGC 101 5.695 3.402 1.699
243 HB BGC 101 HO2 BGC 101 6.689 4.110 -0.928
244 HC BGC 101 HO3 BGC 101 7.169 1.058 -1.028
245 HD BGC 101 HO4 BGC 101 8.414 -0.418 3.148
246 H6 BGC 101 HO6 BGC 101 6.968 2.852 5.666