NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
573608 |
2mij   |
19683 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 28.926 2.358 7.694
2 H2 GLY 1 H2 GLY 1 30.196 3.009 6.770
3 H3 GLY 1 H3 GLY 1 28.667 2.767 6.069
4 HA2 GLY 1 HA3 GLY 1 29.631 4.947 7.701
5 HA3 GLY 1 HA2 GLY 1 28.333 4.922 6.507
6 H LEU 2 H LEU 2 26.682 2.957 7.442
7 HA LEU 2 HA LEU 2 24.919 2.639 8.883
8 HB2 LEU 2 HB3 LEU 2 26.928 3.451 11.005
9 HB3 LEU 2 HB2 LEU 2 25.479 2.476 11.248
10 HG LEU 2 HG LEU 2 27.813 1.692 9.476
11 HD11 LEU 2 HD11 LEU 2 28.267 1.782 11.978
12 HD12 LEU 2 HD12 LEU 2 28.489 0.198 11.232
13 HD13 LEU 2 HD13 LEU 2 27.030 0.538 12.164
14 HD21 LEU 2 HD21 LEU 2 25.202 0.377 10.238
15 HD22 LEU 2 HD22 LEU 2 26.601 -0.609 9.816
16 HD23 LEU 2 HD23 LEU 2 25.941 0.526 8.643
17 H GLY 3 H GLY 3 26.132 5.541 8.177
18 HA2 GLY 3 HA3 GLY 3 24.928 7.261 10.100
19 HA3 GLY 3 HA2 GLY 3 25.473 7.730 8.497
20 H LYS 4 H LYS 4 23.156 8.751 9.604
21 HA LYS 4 HA LYS 4 20.809 7.328 8.889
22 HB2 LYS 4 HB3 LYS 4 19.657 9.428 9.280
23 HB3 LYS 4 HB2 LYS 4 21.000 9.401 10.424
24 HG2 LYS 4 HG3 LYS 4 22.345 10.764 8.747
25 HG3 LYS 4 HG2 LYS 4 20.888 10.914 7.790
26 HD2 LYS 4 HD3 LYS 4 19.704 11.991 9.655
27 HD3 LYS 4 HD2 LYS 4 21.142 11.855 10.666
28 HE2 LYS 4 HE3 LYS 4 21.048 13.339 8.026
29 HE3 LYS 4 HE2 LYS 4 20.900 14.107 9.607
30 HZ1 LYS 4 HZ1 LYS 4 23.239 13.057 8.281
31 HZ2 LYS 4 HZ2 LYS 4 23.105 12.607 9.914
32 HZ3 LYS 4 HZ3 LYS 4 23.113 14.249 9.480
33 H ALA 5 H ALA 5 19.924 7.039 6.958
34 HA ALA 5 HA ALA 5 19.448 7.213 4.727
35 HB1 ALA 5 HB1 ALA 5 20.810 9.893 4.636
36 HB2 ALA 5 HB2 ALA 5 19.267 9.709 5.466
37 HB3 ALA 5 HB3 ALA 5 19.393 9.334 3.747
38 H GLN 6 H GLN 6 22.617 7.661 5.993
39 HA GLN 6 HA GLN 6 24.011 7.586 3.561
40 HB2 GLN 6 HB3 GLN 6 24.731 7.006 6.418
41 HB3 GLN 6 HB2 GLN 6 25.871 6.697 5.143
42 HG2 GLN 6 HG3 GLN 6 24.538 9.379 5.593
43 HG3 GLN 6 HG2 GLN 6 26.141 8.967 6.221
44 HE21 GLN 6 HE21 GLN 6 24.811 10.671 3.766
45 HE22 GLN 6 HE22 GLN 6 25.957 10.394 2.544
46 H CYS 7 H CYS 7 22.907 5.302 5.935
47 HA CYS 7 HA CYS 7 23.998 2.987 4.676
48 HB2 CYS 7 HB3 CYS 7 23.070 3.420 7.148
49 HB3 CYS 7 HB2 CYS 7 21.606 2.731 6.452
50 H ALA 8 H ALA 8 20.698 4.311 4.823
51 HA ALA 8 HA ALA 8 19.558 2.362 3.139
52 HB1 ALA 8 HB1 ALA 8 18.792 5.179 3.857
53 HB2 ALA 8 HB2 ALA 8 18.071 3.674 4.423
54 HB3 ALA 8 HB3 ALA 8 17.806 4.208 2.763
55 H ALA 9 H ALA 9 20.926 5.520 2.417
56 HA ALA 9 HA ALA 9 20.313 5.501 -0.344
57 HB1 ALA 9 HB1 ALA 9 22.592 6.907 1.064
58 HB2 ALA 9 HB2 ALA 9 20.956 7.545 0.892
59 HB3 ALA 9 HB3 ALA 9 21.957 7.290 -0.536
60 H LEU 10 H LEU 10 22.936 4.174 1.559
61 HA LEU 10 HA LEU 10 24.740 3.679 -0.555
62 HB2 LEU 10 HB3 LEU 10 25.321 3.643 1.826
63 HB3 LEU 10 HB2 LEU 10 24.305 2.234 2.060
64 HG LEU 10 HG LEU 10 25.718 0.866 0.643
65 HD11 LEU 10 HD11 LEU 10 27.963 1.950 -0.094
66 HD12 LEU 10 HD12 LEU 10 27.116 3.488 0.077
67 HD13 LEU 10 HD13 LEU 10 26.532 2.278 -1.066
68 HD21 LEU 10 HD21 LEU 10 26.432 0.940 2.925
69 HD22 LEU 10 HD22 LEU 10 27.145 2.539 2.733
70 HD23 LEU 10 HD23 LEU 10 27.898 1.143 1.972
71 H TRP 11 H TRP 11 22.064 1.715 0.799
72 HA TRP 11 HA TRP 11 22.597 -0.437 -1.081
73 HB2 TRP 11 HB3 TRP 11 21.398 -1.554 0.487
74 HB3 TRP 11 HB2 TRP 11 20.991 -0.037 1.277
75 HD1 TRP 11 HD1 TRP 11 18.609 0.870 0.999
76 HE1 TRP 11 HE1 TRP 11 16.466 0.001 -0.130
77 HE3 TRP 11 HE3 TRP 11 20.593 -2.906 -1.798
78 HZ2 TRP 11 HZ2 TRP 11 15.705 -2.020 -2.013
79 HZ3 TRP 11 HZ3 TRP 11 19.138 -4.277 -3.264
80 HH2 TRP 11 HH2 TRP 11 16.701 -3.837 -3.379
81 H LEU 12 H LEU 12 20.259 2.209 -0.780
82 HA LEU 12 HA LEU 12 18.680 1.526 -2.997
83 HB2 LEU 12 HB3 LEU 12 18.436 3.311 -1.035
84 HB3 LEU 12 HB2 LEU 12 19.076 4.399 -2.251
85 HG LEU 12 HG LEU 12 16.672 4.487 -2.400
86 HD11 LEU 12 HD11 LEU 12 17.406 2.654 -4.674
87 HD12 LEU 12 HD12 LEU 12 18.120 4.261 -4.542
88 HD13 LEU 12 HD13 LEU 12 16.373 4.081 -4.691
89 HD21 LEU 12 HD21 LEU 12 16.602 1.949 -1.410
90 HD22 LEU 12 HD22 LEU 12 16.290 1.609 -3.113
91 HD23 LEU 12 HD23 LEU 12 15.238 2.705 -2.227
92 H GLN 13 H GLN 13 21.533 3.603 -2.707
93 HA GLN 13 HA GLN 13 21.539 4.584 -5.335
94 HB2 GLN 13 HB3 GLN 13 23.715 4.123 -3.300
95 HB3 GLN 13 HB2 GLN 13 24.039 4.825 -4.872
96 HG2 GLN 13 HG3 GLN 13 21.847 5.944 -3.143
97 HG3 GLN 13 HG2 GLN 13 23.516 6.430 -2.889
98 HE21 GLN 13 HE21 GLN 13 22.774 5.610 -6.159
99 HE22 GLN 13 HE22 GLN 13 22.625 7.194 -6.752
100 H CYS 14 H CYS 14 22.875 1.647 -3.896
101 HA CYS 14 HA CYS 14 24.346 0.754 -6.096
102 HB2 CYS 14 HB3 CYS 14 23.898 -0.203 -3.581
103 HB3 CYS 14 HB2 CYS 14 22.930 -1.331 -4.519
104 H ALA 15 H ALA 15 21.069 1.231 -5.855
105 HA ALA 15 HA ALA 15 20.107 -0.877 -7.493
106 HB1 ALA 15 HB1 ALA 15 18.892 1.855 -7.144
107 HB2 ALA 15 HB2 ALA 15 18.776 0.595 -5.916
108 HB3 ALA 15 HB3 ALA 15 18.061 0.344 -7.512
109 H SER 16 H SER 16 21.283 2.370 -8.053
110 HA SER 16 HA SER 16 21.014 2.001 -10.969
111 HB2 SER 16 HB3 SER 16 20.832 4.305 -11.184
112 HB3 SER 16 HB2 SER 16 20.071 4.045 -9.615
113 HG SER 16 HG SER 16 22.559 4.245 -9.043
114 H GLY 17 H GLY 17 23.282 2.702 -8.403
115 HA2 GLY 17 HA3 GLY 17 25.565 1.917 -8.556
116 HA3 GLY 17 HA2 GLY 17 25.531 2.269 -10.283
117 H GLY 18 H GLY 18 24.320 4.292 -7.641
118 HA2 GLY 18 HA3 GLY 18 26.404 6.305 -8.272
119 HA3 GLY 18 HA2 GLY 18 24.723 6.740 -8.050
120 H THR 19 H THR 19 26.935 4.629 -6.258
121 HA THR 19 HA THR 19 25.938 5.590 -3.731
122 HB THR 19 HB THR 19 27.176 3.843 -2.751
123 HG1 THR 19 HG1 THR 19 28.772 3.346 -4.972
124 HG21 THR 19 HG21 THR 19 26.805 1.888 -4.196
125 HG22 THR 19 HG22 THR 19 26.729 2.921 -5.619
126 HG23 THR 19 HG23 THR 19 25.461 3.012 -4.397
127 H ILE 20 H ILE 20 27.671 6.078 -2.016
128 HA ILE 20 HA ILE 20 29.069 8.445 -2.825
129 HB ILE 20 HB ILE 20 29.232 6.912 -0.215
130 HG12 ILE 20 HG13 ILE 20 27.454 9.268 -0.887
131 HG13 ILE 20 HG12 ILE 20 26.895 7.600 -0.976
132 HG21 ILE 20 HG21 ILE 20 29.834 9.790 -0.962
133 HG22 ILE 20 HG22 ILE 20 31.014 8.565 -0.498
134 HG23 ILE 20 HG23 ILE 20 29.845 9.154 0.683
135 HD11 ILE 20 HD11 ILE 20 26.302 8.502 1.206
136 HD12 ILE 20 HD12 ILE 20 27.969 9.006 1.487
137 HD13 ILE 20 HD13 ILE 20 27.567 7.289 1.412
138 H GLY 21 H GLY 21 29.850 5.096 -2.471
139 HA2 GLY 21 HA3 GLY 21 32.633 5.260 -2.063
140 HA3 GLY 21 HA2 GLY 21 31.793 3.899 -2.790
141 H CYS 22 H CYS 22 30.663 5.486 -4.932
142 HA CYS 22 HA CYS 22 31.168 5.857 -7.152
143 HB2 CYS 22 HB3 CYS 22 31.664 8.055 -6.382
144 HB3 CYS 22 HB2 CYS 22 33.200 7.539 -5.691
145 H GLY 23 H GLY 23 31.808 3.974 -8.081
146 HA2 GLY 23 HA3 GLY 23 33.810 3.292 -9.462
147 HA3 GLY 23 HA2 GLY 23 34.683 3.242 -7.937
148 H GLY 24 H GLY 24 32.727 1.528 -10.107
149 HA2 GLY 24 HA3 GLY 24 31.880 -0.613 -10.131
150 HA3 GLY 24 HA2 GLY 24 33.164 -0.978 -8.984
151 H GLY 25 H GLY 25 30.283 1.103 -8.689
152 HA2 GLY 25 HA3 GLY 25 29.721 0.429 -6.038
153 HA3 GLY 25 HA2 GLY 25 28.550 1.090 -7.171
154 H ALA 26 H ALA 26 29.704 -1.712 -8.529
155 HA ALA 26 HA ALA 26 27.282 -3.090 -8.238
156 HB1 ALA 26 HB1 ALA 26 28.693 -3.640 -10.086
157 HB2 ALA 26 HB2 ALA 26 28.616 -5.077 -9.067
158 HB3 ALA 26 HB3 ALA 26 30.038 -4.036 -9.017
159 H VAL 27 H VAL 27 30.383 -3.480 -6.623
160 HA VAL 27 HA VAL 27 29.566 -5.628 -4.925
161 HB VAL 27 HB VAL 27 31.923 -5.163 -5.583
162 HG11 VAL 27 HG11 VAL 27 33.156 -3.374 -4.472
163 HG12 VAL 27 HG12 VAL 27 31.702 -2.862 -3.622
164 HG13 VAL 27 HG13 VAL 27 31.804 -2.693 -5.370
165 HG21 VAL 27 HG21 VAL 27 32.879 -5.838 -3.519
166 HG22 VAL 27 HG22 VAL 27 31.229 -6.449 -3.460
167 HG23 VAL 27 HG23 VAL 27 31.659 -4.986 -2.582
168 H ALA 28 H ALA 28 29.157 -2.193 -4.763
169 HA ALA 28 HA ALA 28 29.046 -1.823 -1.982
170 HB1 ALA 28 HB1 ALA 28 28.670 0.279 -2.704
171 HB2 ALA 28 HB2 ALA 28 27.038 -0.185 -3.182
172 HB3 ALA 28 HB3 ALA 28 28.366 -0.328 -4.321
173 H CYS 29 H CYS 29 26.751 -3.308 -4.173
174 HA CYS 29 HA CYS 29 24.444 -3.107 -2.605
175 HB2 CYS 29 HB3 CYS 29 25.324 -5.334 -4.439
176 HB3 CYS 29 HB2 CYS 29 23.708 -5.126 -3.799
177 H GLN 30 H GLN 30 26.844 -5.743 -2.773
178 HA GLN 30 HA GLN 30 25.504 -7.238 -0.733
179 HB2 GLN 30 HB3 GLN 30 27.613 -8.596 -0.640
180 HB3 GLN 30 HB2 GLN 30 26.900 -8.475 -2.244
181 HG2 GLN 30 HG3 GLN 30 29.211 -8.090 -2.569
182 HG3 GLN 30 HG2 GLN 30 28.464 -6.505 -2.620
183 HE21 GLN 30 HE21 GLN 30 29.080 -8.404 0.344
184 HE22 GLN 30 HE22 GLN 30 30.193 -7.308 1.007
185 H ASN 31 H ASN 31 28.033 -4.835 -0.695
186 HA ASN 31 HA ASN 31 29.148 -5.167 1.795
187 HB2 ASN 31 HB3 ASN 31 28.429 -2.681 0.225
188 HB3 ASN 31 HB2 ASN 31 29.190 -2.604 1.795
189 HD21 ASN 31 HD21 ASN 31 29.891 -3.338 -1.568
190 HD22 ASN 31 HD22 ASN 31 31.525 -3.746 -1.326
191 H TYR 32 H TYR 32 25.998 -3.953 0.929
192 HA TYR 32 HA TYR 32 25.214 -2.825 3.369
193 HB2 TYR 32 HB3 TYR 32 23.921 -2.441 1.373
194 HB3 TYR 32 HB2 TYR 32 23.577 -4.165 1.222
195 HD1 TYR 32 HD2 TYR 32 22.246 -5.314 2.974
196 HD2 TYR 32 HD1 TYR 32 22.629 -1.051 2.858
197 HE1 TYR 32 HE2 TYR 32 20.329 -5.131 4.467
198 HE2 TYR 32 HE1 TYR 32 20.682 -0.841 4.365
199 HH TYR 32 HH TYR 32 19.610 -2.727 6.264
200 H ARG 33 H ARG 33 24.750 -6.195 2.220
201 HA ARG 33 HA ARG 33 23.324 -7.079 4.474
202 HB2 ARG 33 HB3 ARG 33 24.569 -8.277 2.165
203 HB3 ARG 33 HB2 ARG 33 25.042 -9.215 3.574
204 HG2 ARG 33 HG3 ARG 33 22.997 -10.142 2.644
205 HG3 ARG 33 HG2 ARG 33 22.662 -9.441 4.229
206 HD2 ARG 33 HD3 ARG 33 21.099 -8.902 2.069
207 HD3 ARG 33 HD2 ARG 33 21.372 -7.709 3.341
208 HE ARG 33 HE ARG 33 22.805 -6.531 1.899
209 HH11 ARG 33 HH21 ARG 33 21.767 -9.534 0.528
210 HH12 ARG 33 HH22 ARG 33 22.278 -9.125 -1.074
211 HH21 ARG 33 HH11 ARG 33 23.473 -5.995 -0.174
212 HH22 ARG 33 HH12 ARG 33 23.247 -7.119 -1.475
213 H GLN 34 H GLN 34 26.767 -6.873 3.808
214 HA GLN 34 HA GLN 34 27.675 -8.102 6.213
215 HB2 GLN 34 HB3 GLN 34 29.372 -5.996 4.971
216 HB3 GLN 34 HB2 GLN 34 29.794 -7.644 5.421
217 HG2 GLN 34 HG3 GLN 34 28.213 -6.774 3.019
218 HG3 GLN 34 HG2 GLN 34 29.829 -7.452 3.005
219 HE21 GLN 34 HE21 GLN 34 26.938 -8.363 2.049
220 HE22 GLN 34 HE22 GLN 34 26.899 -9.987 2.553
221 H PHE 35 H PHE 35 27.127 -4.689 5.338
222 HA PHE 35 HA PHE 35 27.964 -3.810 7.995
223 HB2 PHE 35 HB3 PHE 35 27.064 -2.418 5.489
224 HB3 PHE 35 HB2 PHE 35 27.120 -1.527 7.005
225 HD1 PHE 35 HD1 PHE 35 29.473 -2.150 8.417
226 HD2 PHE 35 HD2 PHE 35 28.980 -2.140 4.126
227 HE1 PHE 35 HE1 PHE 35 31.901 -1.836 8.123
228 HE2 PHE 35 HE2 PHE 35 31.411 -1.834 3.861
229 HZ PHE 35 HZ PHE 35 32.875 -1.679 5.851
230 H CYS 36 H CYS 36 24.984 -3.509 6.036
231 HA CYS 36 HA CYS 36 23.480 -3.249 8.551
232 HB2 CYS 36 HB3 CYS 36 23.144 -2.170 5.785
233 HB3 CYS 36 HB2 CYS 36 21.690 -2.485 6.722
234 H ARG 37 H ARG 37 22.882 -5.228 9.171
235 HA ARG 37 HA ARG 37 22.384 -7.413 7.437
236 HB2 ARG 37 HB3 ARG 37 22.976 -7.658 9.836
237 HB3 ARG 37 HB2 ARG 37 21.398 -7.004 10.272
238 HG2 ARG 37 HG3 ARG 37 20.287 -8.857 9.091
239 HG3 ARG 37 HG2 ARG 37 21.858 -9.505 8.617
240 HD2 ARG 37 HD3 ARG 37 22.440 -9.694 11.052
241 HD3 ARG 37 HD2 ARG 37 20.789 -9.215 11.437
242 HE ARG 37 HE ARG 37 20.692 -11.392 9.649
243 HH11 ARG 37 HH21 ARG 37 21.646 -10.600 12.882
244 HH12 ARG 37 HH22 ARG 37 21.334 -12.184 13.508
245 HH21 ARG 37 HH11 ARG 37 20.280 -13.468 10.465
246 HH22 ARG 37 HH12 ARG 37 20.561 -13.807 12.140
247 H2 BGC 101 H2 GLC 0 34.684 8.225 -10.003
248 H3 BGC 101 H3 GLC 0 36.223 5.729 -9.073
249 H4 BGC 101 H4 GLC 0 37.157 8.652 -9.075
250 H5 BGC 101 H5 GLC 0 36.403 6.861 -6.667
251 H6C1 BGC 101 H61 GLC 0 37.432 8.352 -5.336
252 H6C2 BGC 101 H62 GLC 0 38.129 9.126 -6.776
253 H1 BGC 101 H1 GLC 0 34.174 6.435 -7.522
254 HB BGC 101 HO2 GLC 0 33.020 6.616 -10.086
255 HC BGC 101 HO3 GLC 0 37.538 6.208 -10.721
256 HD BGC 101 HO4 GLC 0 39.005 7.705 -8.836
257 H6 BGC 101 HO6 GLC 0 36.408 10.116 -5.079
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 27.479 3.283 5.738
2 H2 GLY 1 H2 GLY 1 28.963 2.689 6.315
3 H3 GLY 1 H3 GLY 1 28.909 3.606 4.886
4 HA2 GLY 1 HA3 GLY 1 29.739 4.865 6.835
5 HA3 GLY 1 HA2 GLY 1 28.324 5.575 6.057
6 H LEU 2 H LEU 2 26.778 3.164 7.178
7 HA LEU 2 HA LEU 2 25.382 2.769 8.958
8 HB2 LEU 2 HB3 LEU 2 27.682 3.866 10.602
9 HB3 LEU 2 HB2 LEU 2 26.396 2.805 11.175
10 HG LEU 2 HG LEU 2 28.378 2.074 9.000
11 HD11 LEU 2 HD11 LEU 2 29.394 0.619 10.737
12 HD12 LEU 2 HD12 LEU 2 28.297 1.308 11.935
13 HD13 LEU 2 HD13 LEU 2 29.510 2.327 11.158
14 HD21 LEU 2 HD21 LEU 2 26.135 0.613 10.402
15 HD22 LEU 2 HD22 LEU 2 27.495 -0.280 9.725
16 HD23 LEU 2 HD23 LEU 2 26.483 0.705 8.675
17 H GLY 3 H GLY 3 26.230 5.750 7.964
18 HA2 GLY 3 HA3 GLY 3 25.099 7.386 10.031
19 HA3 GLY 3 HA2 GLY 3 25.504 7.903 8.402
20 H LYS 4 H LYS 4 23.163 8.741 9.682
21 HA LYS 4 HA LYS 4 20.907 7.136 9.061
22 HB2 LYS 4 HB3 LYS 4 19.634 9.137 9.542
23 HB3 LYS 4 HB2 LYS 4 21.028 9.183 10.618
24 HG2 LYS 4 HG3 LYS 4 22.187 10.612 8.780
25 HG3 LYS 4 HG2 LYS 4 20.599 10.760 8.063
26 HD2 LYS 4 HD3 LYS 4 20.694 12.668 9.413
27 HD3 LYS 4 HD2 LYS 4 19.827 11.526 10.439
28 HE2 LYS 4 HE3 LYS 4 21.837 11.017 11.683
29 HE3 LYS 4 HE2 LYS 4 22.828 11.935 10.555
30 HZ1 LYS 4 HZ1 LYS 4 20.763 13.583 11.491
31 HZ2 LYS 4 HZ2 LYS 4 22.437 13.750 11.728
32 HZ3 LYS 4 HZ3 LYS 4 21.506 12.856 12.832
33 H ALA 5 H ALA 5 19.938 6.828 7.155
34 HA ALA 5 HA ALA 5 19.315 7.072 4.981
35 HB1 ALA 5 HB1 ALA 5 19.087 9.539 5.834
36 HB2 ALA 5 HB2 ALA 5 19.061 9.211 4.103
37 HB3 ALA 5 HB3 ALA 5 20.534 9.809 4.864
38 H GLN 6 H GLN 6 22.529 7.646 6.067
39 HA GLN 6 HA GLN 6 23.777 7.719 3.552
40 HB2 GLN 6 HB3 GLN 6 24.681 7.137 6.356
41 HB3 GLN 6 HB2 GLN 6 25.763 6.844 5.022
42 HG2 GLN 6 HG3 GLN 6 24.388 9.503 5.448
43 HG3 GLN 6 HG2 GLN 6 25.978 9.136 6.132
44 HE21 GLN 6 HE21 GLN 6 27.789 9.199 4.714
45 HE22 GLN 6 HE22 GLN 6 27.668 9.581 3.065
46 H CYS 7 H CYS 7 22.908 5.295 5.901
47 HA CYS 7 HA CYS 7 24.034 3.071 4.513
48 HB2 CYS 7 HB3 CYS 7 23.606 2.904 6.895
49 HB3 CYS 7 HB2 CYS 7 21.884 3.182 6.637
50 H ALA 8 H ALA 8 20.692 4.251 4.846
51 HA ALA 8 HA ALA 8 19.549 2.306 3.159
52 HB1 ALA 8 HB1 ALA 8 17.716 4.084 2.919
53 HB2 ALA 8 HB2 ALA 8 18.717 5.073 3.984
54 HB3 ALA 8 HB3 ALA 8 18.085 3.530 4.554
55 H ALA 9 H ALA 9 20.816 5.514 2.487
56 HA ALA 9 HA ALA 9 20.097 5.587 -0.250
57 HB1 ALA 9 HB1 ALA 9 20.736 7.604 1.027
58 HB2 ALA 9 HB2 ALA 9 21.711 7.416 -0.429
59 HB3 ALA 9 HB3 ALA 9 22.387 6.994 1.144
60 H LEU 10 H LEU 10 22.837 4.292 1.509
61 HA LEU 10 HA LEU 10 24.557 3.890 -0.679
62 HB2 LEU 10 HB3 LEU 10 25.200 3.787 1.698
63 HB3 LEU 10 HB2 LEU 10 24.248 2.327 1.884
64 HG LEU 10 HG LEU 10 25.678 1.069 0.401
65 HD11 LEU 10 HD11 LEU 10 27.833 2.254 -0.415
66 HD12 LEU 10 HD12 LEU 10 26.953 3.760 -0.152
67 HD13 LEU 10 HD13 LEU 10 26.350 2.572 -1.309
68 HD21 LEU 10 HD21 LEU 10 26.476 1.154 2.660
69 HD22 LEU 10 HD22 LEU 10 27.130 2.775 2.445
70 HD23 LEU 10 HD23 LEU 10 27.887 1.410 1.641
71 H TRP 11 H TRP 11 21.955 1.822 0.700
72 HA TRP 11 HA TRP 11 22.466 -0.242 -1.278
73 HB2 TRP 11 HB3 TRP 11 21.315 -1.461 0.243
74 HB3 TRP 11 HB2 TRP 11 20.956 0.001 1.149
75 HD1 TRP 11 HD1 TRP 11 18.578 0.979 0.989
76 HE1 TRP 11 HE1 TRP 11 16.369 0.162 -0.055
77 HE3 TRP 11 HE3 TRP 11 20.379 -2.727 -2.020
78 HZ2 TRP 11 HZ2 TRP 11 15.495 -1.790 -1.961
79 HZ3 TRP 11 HZ3 TRP 11 18.839 -4.040 -3.449
80 HH2 TRP 11 HH2 TRP 11 16.403 -3.574 -3.428
81 H LEU 12 H LEU 12 20.154 2.391 -0.828
82 HA LEU 12 HA LEU 12 18.442 1.772 -2.957
83 HB2 LEU 12 HB3 LEU 12 18.339 3.575 -1.012
84 HB3 LEU 12 HB2 LEU 12 19.000 4.632 -2.243
85 HG LEU 12 HG LEU 12 16.601 4.844 -2.319
86 HD11 LEU 12 HD11 LEU 12 17.957 4.578 -4.506
87 HD12 LEU 12 HD12 LEU 12 16.203 4.451 -4.601
88 HD13 LEU 12 HD13 LEU 12 17.191 2.995 -4.626
89 HD21 LEU 12 HD21 LEU 12 15.077 3.131 -2.158
90 HD22 LEU 12 HD22 LEU 12 16.406 2.335 -1.324
91 HD23 LEU 12 HD23 LEU 12 16.089 1.979 -3.023
92 H GLN 13 H GLN 13 21.351 3.825 -2.860
93 HA GLN 13 HA GLN 13 21.223 4.712 -5.526
94 HB2 GLN 13 HB3 GLN 13 23.491 4.318 -3.572
95 HB3 GLN 13 HB2 GLN 13 23.736 4.976 -5.185
96 HG2 GLN 13 HG3 GLN 13 22.112 6.711 -4.735
97 HG3 GLN 13 HG2 GLN 13 21.862 6.115 -3.117
98 HE21 GLN 13 HE21 GLN 13 24.998 5.484 -3.349
99 HE22 GLN 13 HE22 GLN 13 25.678 6.970 -2.891
100 H CYS 14 H CYS 14 22.663 1.895 -4.015
101 HA CYS 14 HA CYS 14 24.022 0.874 -6.232
102 HB2 CYS 14 HB3 CYS 14 23.725 0.040 -3.659
103 HB3 CYS 14 HB2 CYS 14 22.710 -1.138 -4.481
104 H ALA 15 H ALA 15 20.807 1.449 -5.969
105 HA ALA 15 HA ALA 15 19.708 -0.780 -7.333
106 HB1 ALA 15 HB1 ALA 15 18.685 2.056 -7.176
107 HB2 ALA 15 HB2 ALA 15 18.402 0.818 -5.952
108 HB3 ALA 15 HB3 ALA 15 17.739 0.622 -7.577
109 H SER 16 H SER 16 21.062 2.292 -8.296
110 HA SER 16 HA SER 16 20.672 1.635 -11.143
111 HB2 SER 16 HB3 SER 16 20.732 3.921 -11.597
112 HB3 SER 16 HB2 SER 16 19.944 3.876 -10.020
113 HG SER 16 HG SER 16 22.362 4.904 -10.746
114 H GLY 17 H GLY 17 23.051 1.955 -8.680
115 HA2 GLY 17 HA3 GLY 17 25.206 0.840 -9.101
116 HA3 GLY 17 HA2 GLY 17 25.222 1.620 -10.680
117 H GLY 18 H GLY 18 24.415 2.878 -7.454
118 HA2 GLY 18 HA3 GLY 18 26.630 4.824 -7.700
119 HA3 GLY 18 HA2 GLY 18 25.022 5.309 -7.180
120 H THR 19 H THR 19 27.645 5.408 -5.798
121 HA THR 19 HA THR 19 26.729 4.432 -3.242
122 HB THR 19 HB THR 19 27.723 2.396 -3.805
123 HG1 THR 19 HG1 THR 19 29.852 2.507 -2.699
124 HG21 THR 19 HG21 THR 19 29.915 4.020 -5.152
125 HG22 THR 19 HG22 THR 19 28.734 2.971 -5.932
126 HG23 THR 19 HG23 THR 19 30.002 2.275 -4.921
127 H ILE 20 H ILE 20 28.149 5.112 -1.456
128 HA ILE 20 HA ILE 20 29.015 7.832 -1.776
129 HB ILE 20 HB ILE 20 29.467 5.923 0.544
130 HG12 ILE 20 HG13 ILE 20 27.236 7.940 0.171
131 HG13 ILE 20 HG12 ILE 20 27.051 6.222 -0.184
132 HG21 ILE 20 HG21 ILE 20 29.533 8.083 1.827
133 HG22 ILE 20 HG22 ILE 20 29.508 8.944 0.289
134 HG23 ILE 20 HG23 ILE 20 30.868 7.896 0.691
135 HD11 ILE 20 HD11 ILE 20 26.270 6.819 2.116
136 HD12 ILE 20 HD12 ILE 20 27.912 7.335 2.506
137 HD13 ILE 20 HD13 ILE 20 27.585 5.643 2.128
138 H GLY 21 H GLY 21 30.593 4.686 -1.353
139 HA2 GLY 21 HA3 GLY 21 33.242 5.607 -1.118
140 HA3 GLY 21 HA2 GLY 21 32.771 3.999 -1.650
141 H CYS 22 H CYS 22 31.134 5.365 -3.811
142 HA CYS 22 HA CYS 22 31.384 5.745 -6.063
143 HB2 CYS 22 HB3 CYS 22 31.979 7.959 -5.410
144 HB3 CYS 22 HB2 CYS 22 33.581 7.445 -4.887
145 H GLY 23 H GLY 23 31.930 3.960 -7.170
146 HA2 GLY 23 HA3 GLY 23 34.029 3.384 -8.599
147 HA3 GLY 23 HA2 GLY 23 34.690 2.924 -7.034
148 H GLY 24 H GLY 24 32.782 1.962 -9.672
149 HA2 GLY 24 HA3 GLY 24 31.600 0.043 -10.174
150 HA3 GLY 24 HA2 GLY 24 32.753 -0.744 -9.100
151 H GLY 25 H GLY 25 29.804 1.263 -8.947
152 HA2 GLY 25 HA3 GLY 25 29.061 0.652 -6.329
153 HA3 GLY 25 HA2 GLY 25 27.940 1.106 -7.607
154 H ALA 26 H ALA 26 29.465 -1.566 -8.777
155 HA ALA 26 HA ALA 26 27.196 -3.201 -8.525
156 HB1 ALA 26 HB1 ALA 26 29.036 -3.415 -10.248
157 HB2 ALA 26 HB2 ALA 26 28.494 -4.933 -9.533
158 HB3 ALA 26 HB3 ALA 26 30.003 -4.196 -8.996
159 H VAL 27 H VAL 27 30.295 -3.283 -6.855
160 HA VAL 27 HA VAL 27 29.585 -5.422 -5.087
161 HB VAL 27 HB VAL 27 31.930 -4.835 -5.779
162 HG11 VAL 27 HG11 VAL 27 31.626 -2.593 -3.765
163 HG12 VAL 27 HG12 VAL 27 31.622 -2.366 -5.506
164 HG13 VAL 27 HG13 VAL 27 33.061 -2.985 -4.707
165 HG21 VAL 27 HG21 VAL 27 31.527 -4.757 -2.777
166 HG22 VAL 27 HG22 VAL 27 32.925 -5.379 -3.645
167 HG23 VAL 27 HG23 VAL 27 31.383 -6.228 -3.736
168 H ALA 28 H ALA 28 29.006 -2.007 -5.067
169 HA ALA 28 HA ALA 28 28.916 -1.555 -2.292
170 HB1 ALA 28 HB1 ALA 28 27.641 -0.256 -4.660
171 HB2 ALA 28 HB2 ALA 28 28.797 0.404 -3.520
172 HB3 ALA 28 HB3 ALA 28 27.107 0.210 -3.053
173 H CYS 29 H CYS 29 26.639 -3.158 -4.435
174 HA CYS 29 HA CYS 29 24.353 -2.978 -2.813
175 HB2 CYS 29 HB3 CYS 29 25.216 -5.177 -4.688
176 HB3 CYS 29 HB2 CYS 29 23.618 -5.002 -3.999
177 H GLN 30 H GLN 30 26.845 -5.500 -3.046
178 HA GLN 30 HA GLN 30 25.614 -7.092 -1.041
179 HB2 GLN 30 HB3 GLN 30 27.913 -8.260 -0.928
180 HB3 GLN 30 HB2 GLN 30 27.015 -8.351 -2.437
181 HG2 GLN 30 HG3 GLN 30 29.102 -7.763 -3.244
182 HG3 GLN 30 HG2 GLN 30 28.410 -6.175 -3.024
183 HE21 GLN 30 HE21 GLN 30 30.521 -8.580 -1.438
184 HE22 GLN 30 HE22 GLN 30 31.383 -7.450 -0.510
185 H ASN 31 H ASN 31 28.034 -4.580 -0.931
186 HA ASN 31 HA ASN 31 29.103 -4.896 1.592
187 HB2 ASN 31 HB3 ASN 31 28.369 -2.430 -0.013
188 HB3 ASN 31 HB2 ASN 31 29.122 -2.336 1.567
189 HD21 ASN 31 HD21 ASN 31 29.866 -3.041 -1.784
190 HD22 ASN 31 HD22 ASN 31 31.489 -3.482 -1.523
191 H TYR 32 H TYR 32 25.965 -3.696 0.658
192 HA TYR 32 HA TYR 32 25.145 -2.557 3.062
193 HB2 TYR 32 HB3 TYR 32 23.850 -2.220 1.083
194 HB3 TYR 32 HB2 TYR 32 23.593 -3.955 0.905
195 HD1 TYR 32 HD2 TYR 32 22.225 -5.188 2.442
196 HD2 TYR 32 HD1 TYR 32 22.541 -0.925 2.689
197 HE1 TYR 32 HE2 TYR 32 20.254 -5.154 3.893
198 HE2 TYR 32 HE1 TYR 32 20.545 -0.859 4.157
199 HH TYR 32 HH TYR 32 18.799 -2.077 4.949
200 H ARG 33 H ARG 33 24.809 -5.978 2.027
201 HA ARG 33 HA ARG 33 23.411 -6.785 4.364
202 HB2 ARG 33 HB3 ARG 33 23.937 -8.045 2.091
203 HB3 ARG 33 HB2 ARG 33 25.315 -8.697 2.988
204 HG2 ARG 33 HG3 ARG 33 22.335 -8.919 3.704
205 HG3 ARG 33 HG2 ARG 33 23.406 -10.225 3.216
206 HD2 ARG 33 HD3 ARG 33 23.288 -8.780 5.911
207 HD3 ARG 33 HD2 ARG 33 23.302 -10.516 5.568
208 HE ARG 33 HE ARG 33 25.736 -9.207 4.720
209 HH11 ARG 33 HH21 ARG 33 23.987 -10.606 7.355
210 HH12 ARG 33 HH22 ARG 33 25.405 -11.075 8.231
211 HH21 ARG 33 HH11 ARG 33 27.607 -9.825 5.861
212 HH22 ARG 33 HH12 ARG 33 27.455 -10.635 7.384
213 H GLN 34 H GLN 34 26.799 -6.600 3.513
214 HA GLN 34 HA GLN 34 27.916 -7.807 5.804
215 HB2 GLN 34 HB3 GLN 34 29.051 -5.613 4.087
216 HB3 GLN 34 HB2 GLN 34 29.963 -6.772 5.044
217 HG2 GLN 34 HG3 GLN 34 29.040 -8.616 3.692
218 HG3 GLN 34 HG2 GLN 34 28.137 -7.454 2.728
219 HE21 GLN 34 HE21 GLN 34 29.158 -6.894 0.834
220 HE22 GLN 34 HE22 GLN 34 30.839 -6.891 0.587
221 H PHE 35 H PHE 35 27.250 -4.366 5.071
222 HA PHE 35 HA PHE 35 28.149 -3.582 7.737
223 HB2 PHE 35 HB3 PHE 35 27.120 -2.059 5.349
224 HB3 PHE 35 HB2 PHE 35 27.353 -1.269 6.904
225 HD1 PHE 35 HD2 PHE 35 29.812 -2.090 8.037
226 HD2 PHE 35 HD1 PHE 35 28.895 -1.707 3.833
227 HE1 PHE 35 HE2 PHE 35 32.209 -1.847 7.518
228 HE2 PHE 35 HE1 PHE 35 31.303 -1.470 3.343
229 HZ PHE 35 HZ PHE 35 32.960 -1.537 5.181
230 H CYS 36 H CYS 36 25.147 -3.432 5.821
231 HA CYS 36 HA CYS 36 23.645 -3.098 8.330
232 HB2 CYS 36 HB3 CYS 36 23.242 -2.210 5.512
233 HB3 CYS 36 HB2 CYS 36 21.801 -2.586 6.449
234 H ARG 37 H ARG 37 23.161 -5.050 9.098
235 HA ARG 37 HA ARG 37 22.938 -7.454 7.808
236 HB2 ARG 37 HB3 ARG 37 21.685 -8.236 9.691
237 HB3 ARG 37 HB2 ARG 37 22.844 -7.066 10.294
238 HG2 ARG 37 HG3 ARG 37 21.016 -5.318 10.160
239 HG3 ARG 37 HG2 ARG 37 19.887 -6.620 9.784
240 HD2 ARG 37 HD3 ARG 37 21.633 -6.565 12.254
241 HD3 ARG 37 HD2 ARG 37 19.959 -6.016 12.220
242 HE ARG 37 HE ARG 37 19.978 -8.600 11.169
243 HH11 ARG 37 HH21 ARG 37 20.794 -6.968 14.109
244 HH12 ARG 37 HH22 ARG 37 20.409 -8.315 15.127
245 HH21 ARG 37 HH11 ARG 37 19.473 -10.372 12.497
246 HH22 ARG 37 HH12 ARG 37 19.662 -10.243 14.214
247 H2 BGC 101 H2 GLC 0 34.562 7.998 -9.359
248 H3 BGC 101 H3 GLC 0 36.179 5.511 -8.543
249 H4 BGC 101 H4 GLC 0 37.129 8.422 -8.736
250 H5 BGC 101 H5 GLC 0 36.644 6.706 -6.207
251 H6C1 BGC 101 H61 GLC 0 37.832 8.221 -5.046
252 H6C2 BGC 101 H62 GLC 0 38.364 8.947 -6.578
253 H1 BGC 101 H1 GLC 0 34.328 6.281 -6.786
254 HB BGC 101 HO2 GLC 0 32.888 6.406 -9.204
255 HC BGC 101 HO3 GLC 0 37.298 5.931 -10.344
256 HD BGC 101 HO4 GLC 0 38.985 7.461 -8.684
257 H6 BGC 101 HO6 GLC 0 36.859 10.002 -4.723
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 29.398 5.940 7.195
2 H2 GLY 1 H2 GLY 1 28.798 6.270 5.641
3 H3 GLY 1 H3 GLY 1 30.102 5.202 5.841
4 HA2 GLY 1 HA3 GLY 1 27.464 4.516 5.654
5 HA3 GLY 1 HA2 GLY 1 28.776 3.472 6.205
6 H LEU 2 H LEU 2 26.429 2.895 7.279
7 HA LEU 2 HA LEU 2 25.278 2.636 9.250
8 HB2 LEU 2 HB3 LEU 2 27.774 3.797 10.523
9 HB3 LEU 2 HB2 LEU 2 26.581 2.753 11.295
10 HG LEU 2 HG LEU 2 28.300 1.951 8.928
11 HD11 LEU 2 HD11 LEU 2 28.549 1.053 11.810
12 HD12 LEU 2 HD12 LEU 2 29.527 2.344 11.112
13 HD13 LEU 2 HD13 LEU 2 29.648 0.704 10.476
14 HD21 LEU 2 HD21 LEU 2 26.383 0.580 8.853
15 HD22 LEU 2 HD22 LEU 2 26.226 0.537 10.610
16 HD23 LEU 2 HD23 LEU 2 27.504 -0.379 9.815
17 H GLY 3 H GLY 3 26.020 5.537 7.969
18 HA2 GLY 3 HA3 GLY 3 25.040 7.255 10.101
19 HA3 GLY 3 HA2 GLY 3 25.524 7.758 8.490
20 H LYS 4 H LYS 4 23.202 8.739 9.661
21 HA LYS 4 HA LYS 4 20.875 7.266 8.973
22 HB2 LYS 4 HB3 LYS 4 19.708 9.345 9.385
23 HB3 LYS 4 HB2 LYS 4 21.061 9.322 10.515
24 HG2 LYS 4 HG3 LYS 4 22.371 10.649 8.695
25 HG3 LYS 4 HG2 LYS 4 20.814 10.894 7.934
26 HD2 LYS 4 HD3 LYS 4 20.950 12.798 9.273
27 HD3 LYS 4 HD2 LYS 4 20.057 11.701 10.326
28 HE2 LYS 4 HE3 LYS 4 22.131 11.085 11.481
29 HE3 LYS 4 HE2 LYS 4 23.059 12.107 10.391
30 HZ1 LYS 4 HZ1 LYS 4 21.714 12.834 12.746
31 HZ2 LYS 4 HZ2 LYS 4 20.990 13.649 11.444
32 HZ3 LYS 4 HZ3 LYS 4 22.657 13.807 11.726
33 H ALA 5 H ALA 5 19.962 6.991 7.030
34 HA ALA 5 HA ALA 5 19.428 7.251 4.834
35 HB1 ALA 5 HB1 ALA 5 19.358 9.386 3.906
36 HB2 ALA 5 HB2 ALA 5 20.833 9.899 4.726
37 HB3 ALA 5 HB3 ALA 5 19.330 9.743 5.633
38 H GLN 6 H GLN 6 22.630 7.650 6.030
39 HA GLN 6 HA GLN 6 23.969 7.583 3.565
40 HB2 GLN 6 HB3 GLN 6 24.752 6.961 6.406
41 HB3 GLN 6 HB2 GLN 6 25.873 6.732 5.088
42 HG2 GLN 6 HG3 GLN 6 24.464 9.345 5.679
43 HG3 GLN 6 HG2 GLN 6 26.110 8.973 6.215
44 HE21 GLN 6 HE21 GLN 6 24.552 10.665 3.857
45 HE22 GLN 6 HE22 GLN 6 25.658 10.492 2.581
46 H CYS 7 H CYS 7 22.942 5.267 5.952
47 HA CYS 7 HA CYS 7 23.999 2.970 4.631
48 HB2 CYS 7 HB3 CYS 7 23.125 3.380 7.124
49 HB3 CYS 7 HB2 CYS 7 21.647 2.699 6.451
50 H ALA 8 H ALA 8 20.702 4.293 4.878
51 HA ALA 8 HA ALA 8 19.504 2.375 3.212
52 HB1 ALA 8 HB1 ALA 8 18.078 3.757 4.515
53 HB2 ALA 8 HB2 ALA 8 17.778 4.222 2.841
54 HB3 ALA 8 HB3 ALA 8 18.801 5.228 3.867
55 H ALA 9 H ALA 9 20.895 5.514 2.449
56 HA ALA 9 HA ALA 9 20.266 5.487 -0.305
57 HB1 ALA 9 HB1 ALA 9 22.559 6.884 1.090
58 HB2 ALA 9 HB2 ALA 9 20.925 7.525 0.931
59 HB3 ALA 9 HB3 ALA 9 21.917 7.272 -0.505
60 H LEU 10 H LEU 10 22.923 4.180 1.571
61 HA LEU 10 HA LEU 10 24.693 3.649 -0.554
62 HB2 LEU 10 HB3 LEU 10 25.262 3.603 1.841
63 HB3 LEU 10 HB2 LEU 10 24.264 2.177 2.050
64 HG LEU 10 HG LEU 10 25.701 0.848 0.617
65 HD11 LEU 10 HD11 LEU 10 26.509 2.284 -1.075
66 HD12 LEU 10 HD12 LEU 10 27.935 1.985 -0.095
67 HD13 LEU 10 HD13 LEU 10 27.052 3.500 0.086
68 HD21 LEU 10 HD21 LEU 10 27.873 1.133 1.946
69 HD22 LEU 10 HD22 LEU 10 26.413 0.921 2.905
70 HD23 LEU 10 HD23 LEU 10 27.115 2.522 2.714
71 H TRP 11 H TRP 11 21.971 1.703 0.790
72 HA TRP 11 HA TRP 11 22.502 -0.434 -1.110
73 HB2 TRP 11 HB3 TRP 11 21.239 -1.560 0.401
74 HB3 TRP 11 HB2 TRP 11 20.904 -0.052 1.240
75 HD1 TRP 11 HD1 TRP 11 18.576 1.009 0.959
76 HE1 TRP 11 HE1 TRP 11 16.384 0.260 -0.165
77 HE3 TRP 11 HE3 TRP 11 20.344 -2.872 -1.834
78 HZ2 TRP 11 HZ2 TRP 11 15.510 -1.716 -2.050
79 HZ3 TRP 11 HZ3 TRP 11 18.814 -4.169 -3.290
80 HH2 TRP 11 HH2 TRP 11 16.403 -3.595 -3.404
81 H LEU 12 H LEU 12 20.197 2.230 -0.810
82 HA LEU 12 HA LEU 12 18.604 1.608 -3.030
83 HB2 LEU 12 HB3 LEU 12 18.416 3.408 -1.076
84 HB3 LEU 12 HB2 LEU 12 19.114 4.466 -2.287
85 HG LEU 12 HG LEU 12 16.725 4.661 -2.449
86 HD11 LEU 12 HD11 LEU 12 16.426 4.274 -4.748
87 HD12 LEU 12 HD12 LEU 12 17.431 2.825 -4.737
88 HD13 LEU 12 HD13 LEU 12 18.172 4.416 -4.572
89 HD21 LEU 12 HD21 LEU 12 16.527 2.125 -1.482
90 HD22 LEU 12 HD22 LEU 12 16.223 1.806 -3.190
91 HD23 LEU 12 HD23 LEU 12 15.210 2.944 -2.310
92 H GLN 13 H GLN 13 21.493 3.663 -2.756
93 HA GLN 13 HA GLN 13 21.545 4.617 -5.391
94 HB2 GLN 13 HB3 GLN 13 23.651 4.120 -3.289
95 HB3 GLN 13 HB2 GLN 13 24.058 4.781 -4.865
96 HG2 GLN 13 HG3 GLN 13 22.509 6.584 -4.552
97 HG3 GLN 13 HG2 GLN 13 21.982 5.958 -3.018
98 HE21 GLN 13 HE21 GLN 13 24.135 5.462 -1.541
99 HE22 GLN 13 HE22 GLN 13 25.201 6.784 -1.449
100 H CYS 14 H CYS 14 22.826 1.734 -3.890
101 HA CYS 14 HA CYS 14 24.308 0.728 -6.033
102 HB2 CYS 14 HB3 CYS 14 23.766 -0.159 -3.514
103 HB3 CYS 14 HB2 CYS 14 22.791 -1.281 -4.452
104 H ALA 15 H ALA 15 21.021 1.256 -5.852
105 HA ALA 15 HA ALA 15 20.064 -0.842 -7.501
106 HB1 ALA 15 HB1 ALA 15 18.041 0.415 -7.578
107 HB2 ALA 15 HB2 ALA 15 18.891 1.914 -7.195
108 HB3 ALA 15 HB3 ALA 15 18.720 0.658 -5.967
109 H SER 16 H SER 16 21.301 2.385 -8.073
110 HA SER 16 HA SER 16 21.083 1.984 -10.988
111 HB2 SER 16 HB3 SER 16 21.256 4.440 -9.268
112 HB3 SER 16 HB2 SER 16 21.632 4.508 -10.989
113 HG SER 16 HG SER 16 19.389 3.112 -10.645
114 H GLY 17 H GLY 17 23.309 2.648 -8.375
115 HA2 GLY 17 HA3 GLY 17 25.574 1.797 -8.488
116 HA3 GLY 17 HA2 GLY 17 25.583 2.159 -10.212
117 H GLY 18 H GLY 18 24.289 4.262 -7.701
118 HA2 GLY 18 HA3 GLY 18 26.456 6.212 -8.259
119 HA3 GLY 18 HA2 GLY 18 24.782 6.675 -8.029
120 H THR 19 H THR 19 27.034 4.569 -6.271
121 HA THR 19 HA THR 19 26.030 5.463 -3.728
122 HB THR 19 HB THR 19 27.326 3.744 -2.782
123 HG1 THR 19 HG1 THR 19 28.920 3.306 -5.011
124 HG21 THR 19 HG21 THR 19 26.896 2.846 -5.658
125 HG22 THR 19 HG22 THR 19 25.618 2.908 -4.443
126 HG23 THR 19 HG23 THR 19 26.980 1.805 -4.241
127 H ILE 20 H ILE 20 27.716 6.026 -2.015
128 HA ILE 20 HA ILE 20 29.067 8.421 -2.828
129 HB ILE 20 HB ILE 20 29.218 6.915 -0.200
130 HG12 ILE 20 HG13 ILE 20 27.401 9.227 -0.927
131 HG13 ILE 20 HG12 ILE 20 26.880 7.547 -1.004
132 HG21 ILE 20 HG21 ILE 20 30.958 8.553 -0.308
133 HG22 ILE 20 HG22 ILE 20 29.659 9.287 0.632
134 HG23 ILE 20 HG23 ILE 20 29.889 9.739 -1.057
135 HD11 ILE 20 HD11 ILE 20 27.569 7.303 1.412
136 HD12 ILE 20 HD12 ILE 20 26.217 8.407 1.153
137 HD13 ILE 20 HD13 ILE 20 27.834 9.047 1.450
138 H GLY 21 H GLY 21 29.915 5.093 -2.436
139 HA2 GLY 21 HA3 GLY 21 32.687 5.324 -1.972
140 HA3 GLY 21 HA2 GLY 21 31.891 3.938 -2.704
141 H CYS 22 H CYS 22 30.765 5.618 -4.845
142 HA CYS 22 HA CYS 22 31.297 5.985 -7.060
143 HB2 CYS 22 HB3 CYS 22 31.843 8.162 -6.249
144 HB3 CYS 22 HB2 CYS 22 33.371 7.598 -5.577
145 H GLY 23 H GLY 23 31.854 3.887 -7.688
146 HA2 GLY 23 HA3 GLY 23 33.926 3.254 -9.145
147 HA3 GLY 23 HA2 GLY 23 34.688 3.094 -7.567
148 H GLY 24 H GLY 24 32.755 1.601 -9.917
149 HA2 GLY 24 HA3 GLY 24 31.695 -0.443 -10.053
150 HA3 GLY 24 HA2 GLY 24 32.959 -0.978 -8.952
151 H GLY 25 H GLY 25 30.036 1.072 -8.713
152 HA2 GLY 25 HA3 GLY 25 29.481 0.477 -6.025
153 HA3 GLY 25 HA2 GLY 25 28.304 1.067 -7.193
154 H ALA 26 H ALA 26 29.568 -1.696 -8.492
155 HA ALA 26 HA ALA 26 27.199 -3.167 -8.188
156 HB1 ALA 26 HB1 ALA 26 29.987 -3.978 -8.993
157 HB2 ALA 26 HB2 ALA 26 28.601 -3.680 -10.042
158 HB3 ALA 26 HB3 ALA 26 28.629 -5.104 -9.002
159 H VAL 27 H VAL 27 30.329 -3.435 -6.602
160 HA VAL 27 HA VAL 27 29.612 -5.595 -4.873
161 HB VAL 27 HB VAL 27 31.952 -5.011 -5.579
162 HG11 VAL 27 HG11 VAL 27 31.636 -2.538 -5.211
163 HG12 VAL 27 HG12 VAL 27 33.113 -3.196 -4.513
164 HG13 VAL 27 HG13 VAL 27 31.728 -2.843 -3.482
165 HG21 VAL 27 HG21 VAL 27 31.526 -5.049 -2.575
166 HG22 VAL 27 HG22 VAL 27 32.978 -5.557 -3.431
167 HG23 VAL 27 HG23 VAL 27 31.486 -6.478 -3.604
168 H ALA 28 H ALA 28 29.065 -2.172 -4.732
169 HA ALA 28 HA ALA 28 28.973 -1.807 -1.936
170 HB1 ALA 28 HB1 ALA 28 28.629 0.284 -2.729
171 HB2 ALA 28 HB2 ALA 28 26.954 -0.170 -3.037
172 HB3 ALA 28 HB3 ALA 28 28.166 -0.342 -4.297
173 H CYS 29 H CYS 29 26.705 -3.303 -4.159
174 HA CYS 29 HA CYS 29 24.398 -3.178 -2.584
175 HB2 CYS 29 HB3 CYS 29 25.288 -5.399 -4.418
176 HB3 CYS 29 HB2 CYS 29 23.671 -5.160 -3.796
177 H GLN 30 H GLN 30 26.880 -5.726 -2.819
178 HA GLN 30 HA GLN 30 25.610 -7.313 -0.822
179 HB2 GLN 30 HB3 GLN 30 27.873 -8.536 -0.711
180 HB3 GLN 30 HB2 GLN 30 26.983 -8.597 -2.225
181 HG2 GLN 30 HG3 GLN 30 29.102 -8.076 -3.004
182 HG3 GLN 30 HG2 GLN 30 28.443 -6.468 -2.807
183 HE21 GLN 30 HE21 GLN 30 30.476 -8.913 -1.158
184 HE22 GLN 30 HE22 GLN 30 31.353 -7.790 -0.235
185 H ASN 31 H ASN 31 28.027 -4.821 -0.689
186 HA ASN 31 HA ASN 31 29.082 -5.191 1.847
187 HB2 ASN 31 HB3 ASN 31 28.453 -2.703 0.231
188 HB3 ASN 31 HB2 ASN 31 29.187 -2.632 1.819
189 HD21 ASN 31 HD21 ASN 31 29.964 -3.312 -1.518
190 HD22 ASN 31 HD22 ASN 31 31.558 -3.842 -1.244
191 H TYR 32 H TYR 32 25.975 -3.957 0.880
192 HA TYR 32 HA TYR 32 25.150 -2.773 3.265
193 HB2 TYR 32 HB3 TYR 32 23.842 -2.450 1.296
194 HB3 TYR 32 HB2 TYR 32 23.598 -4.185 1.112
195 HD1 TYR 32 HD2 TYR 32 22.278 -5.441 2.774
196 HD2 TYR 32 HD1 TYR 32 22.438 -1.154 2.766
197 HE1 TYR 32 HE2 TYR 32 20.292 -5.387 4.201
198 HE2 TYR 32 HE1 TYR 32 20.428 -1.075 4.195
199 HH TYR 32 HH TYR 32 18.411 -2.692 4.652
200 H ARG 33 H ARG 33 24.741 -6.196 2.263
201 HA ARG 33 HA ARG 33 23.330 -6.922 4.608
202 HB2 ARG 33 HB3 ARG 33 23.969 -8.233 2.298
203 HB3 ARG 33 HB2 ARG 33 25.115 -8.996 3.412
204 HG2 ARG 33 HG3 ARG 33 23.249 -10.370 3.649
205 HG3 ARG 33 HG2 ARG 33 23.036 -9.243 4.991
206 HD2 ARG 33 HD3 ARG 33 20.889 -9.337 3.950
207 HD3 ARG 33 HD2 ARG 33 21.585 -7.841 3.339
208 HE ARG 33 HE ARG 33 21.272 -10.365 1.838
209 HH11 ARG 33 HH21 ARG 33 22.217 -7.022 1.935
210 HH12 ARG 33 HH22 ARG 33 22.204 -6.839 0.216
211 HH21 ARG 33 HH11 ARG 33 21.275 -10.110 -0.414
212 HH22 ARG 33 HH12 ARG 33 21.679 -8.575 -1.109
213 H GLN 34 H GLN 34 26.729 -6.866 3.765
214 HA GLN 34 HA GLN 34 27.795 -8.099 6.071
215 HB2 GLN 34 HB3 GLN 34 29.016 -5.934 4.381
216 HB3 GLN 34 HB2 GLN 34 29.875 -7.135 5.333
217 HG2 GLN 34 HG3 GLN 34 28.959 -8.931 3.934
218 HG3 GLN 34 HG2 GLN 34 28.050 -7.752 3.000
219 HE21 GLN 34 HE21 GLN 34 29.059 -7.266 1.069
220 HE22 GLN 34 HE22 GLN 34 30.741 -7.217 0.829
221 H PHE 35 H PHE 35 27.183 -4.660 5.326
222 HA PHE 35 HA PHE 35 28.097 -3.874 7.995
223 HB2 PHE 35 HB3 PHE 35 27.148 -2.339 5.580
224 HB3 PHE 35 HB2 PHE 35 27.390 -1.544 7.131
225 HD1 PHE 35 HD1 PHE 35 29.802 -2.410 8.307
226 HD2 PHE 35 HD2 PHE 35 28.953 -2.099 4.086
227 HE1 PHE 35 HE1 PHE 35 32.214 -2.254 7.818
228 HE2 PHE 35 HE2 PHE 35 31.374 -1.957 3.620
229 HZ PHE 35 HZ PHE 35 33.004 -2.029 5.482
230 H CYS 36 H CYS 36 25.123 -3.570 6.042
231 HA CYS 36 HA CYS 36 23.610 -3.240 8.545
232 HB2 CYS 36 HB3 CYS 36 23.306 -2.208 5.765
233 HB3 CYS 36 HB2 CYS 36 21.829 -2.540 6.659
234 H ARG 37 H ARG 37 23.011 -5.187 9.223
235 HA ARG 37 HA ARG 37 22.687 -7.533 7.883
236 HB2 ARG 37 HB3 ARG 37 21.247 -8.258 9.674
237 HB3 ARG 37 HB2 ARG 37 22.496 -7.232 10.354
238 HG2 ARG 37 HG3 ARG 37 20.883 -5.306 10.267
239 HG3 ARG 37 HG2 ARG 37 19.636 -6.428 9.726
240 HD2 ARG 37 HD3 ARG 37 19.928 -7.754 11.783
241 HD3 ARG 37 HD2 ARG 37 21.172 -6.634 12.328
242 HE ARG 37 HE ARG 37 18.667 -5.336 11.722
243 HH11 ARG 37 HH21 ARG 37 20.499 -7.095 14.075
244 HH12 ARG 37 HH22 ARG 37 19.659 -6.422 15.431
245 HH21 ARG 37 HH11 ARG 37 17.564 -4.451 13.498
246 HH22 ARG 37 HH12 ARG 37 17.999 -4.926 15.106
247 H2 BGC 101 H2 GLC 0 34.840 8.299 -9.892
248 H3 BGC 101 H3 GLC 0 36.322 5.754 -9.005
249 H4 BGC 101 H4 GLC 0 37.331 8.652 -8.979
250 H5 BGC 101 H5 GLC 0 36.550 6.851 -6.587
251 H6C1 BGC 101 H61 GLC 0 37.627 8.298 -5.246
252 H6C2 BGC 101 H62 GLC 0 38.332 9.072 -6.683
253 H1 BGC 101 H1 GLC 0 34.304 6.491 -7.429
254 HB BGC 101 HO2 GLC 0 33.136 6.734 -9.981
255 HC BGC 101 HO3 GLC 0 37.636 6.220 -10.658
256 HD BGC 101 HO4 GLC 0 39.156 7.655 -8.767
257 H6 BGC 101 HO6 GLC 0 36.651 10.084 -4.960
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 28.912 5.180 6.119
2 H2 GLY 1 H2 GLY 1 30.559 5.318 5.723
3 H3 GLY 1 H3 GLY 1 29.810 6.504 6.682
4 HA2 GLY 1 HA3 GLY 1 30.565 3.743 7.407
5 HA3 GLY 1 HA2 GLY 1 30.975 5.249 8.229
6 H LEU 2 H LEU 2 28.089 3.415 7.206
7 HA LEU 2 HA LEU 2 26.027 3.161 8.188
8 HB2 LEU 2 HB3 LEU 2 28.030 2.853 10.398
9 HB3 LEU 2 HB2 LEU 2 26.318 2.849 10.815
10 HG LEU 2 HG LEU 2 27.188 1.124 8.514
11 HD11 LEU 2 HD11 LEU 2 27.717 0.511 11.434
12 HD12 LEU 2 HD12 LEU 2 28.888 0.532 10.117
13 HD13 LEU 2 HD13 LEU 2 27.656 -0.728 10.181
14 HD21 LEU 2 HD21 LEU 2 24.785 1.421 9.388
15 HD22 LEU 2 HD22 LEU 2 25.302 0.503 10.800
16 HD23 LEU 2 HD23 LEU 2 25.353 -0.237 9.201
17 H GLY 3 H GLY 3 24.831 4.911 7.895
18 HA2 GLY 3 HA3 GLY 3 24.580 6.801 10.101
19 HA3 GLY 3 HA2 GLY 3 25.067 7.493 8.562
20 H LYS 4 H LYS 4 22.753 8.310 9.722
21 HA LYS 4 HA LYS 4 20.444 6.861 8.959
22 HB2 LYS 4 HB3 LYS 4 19.233 8.893 9.493
23 HB3 LYS 4 HB2 LYS 4 20.591 8.838 10.619
24 HG2 LYS 4 HG3 LYS 4 21.870 10.319 8.974
25 HG3 LYS 4 HG2 LYS 4 20.371 10.515 8.096
26 HD2 LYS 4 HD3 LYS 4 20.663 11.209 11.037
27 HD3 LYS 4 HD2 LYS 4 20.811 12.380 9.728
28 HE2 LYS 4 HE3 LYS 4 18.488 11.591 8.971
29 HE3 LYS 4 HE2 LYS 4 18.371 10.789 10.537
30 HZ1 LYS 4 HZ1 LYS 4 17.418 12.920 10.778
31 HZ2 LYS 4 HZ2 LYS 4 18.727 13.684 10.009
32 HZ3 LYS 4 HZ3 LYS 4 18.929 12.989 11.547
33 H ALA 5 H ALA 5 19.541 6.638 7.016
34 HA ALA 5 HA ALA 5 19.005 6.942 4.811
35 HB1 ALA 5 HB1 ALA 5 18.890 9.121 3.956
36 HB2 ALA 5 HB2 ALA 5 20.293 9.664 4.874
37 HB3 ALA 5 HB3 ALA 5 18.758 9.384 5.694
38 H GLN 6 H GLN 6 22.177 7.456 6.041
39 HA GLN 6 HA GLN 6 23.511 7.562 3.577
40 HB2 GLN 6 HB3 GLN 6 24.316 6.949 6.403
41 HB3 GLN 6 HB2 GLN 6 25.455 6.746 5.099
42 HG2 GLN 6 HG3 GLN 6 23.946 9.319 5.617
43 HG3 GLN 6 HG2 GLN 6 25.578 9.008 6.227
44 HE21 GLN 6 HE21 GLN 6 24.076 10.613 3.777
45 HE22 GLN 6 HE22 GLN 6 25.245 10.456 2.557
46 H CYS 7 H CYS 7 22.620 5.078 5.869
47 HA CYS 7 HA CYS 7 23.828 2.938 4.428
48 HB2 CYS 7 HB3 CYS 7 22.388 3.253 6.901
49 HB3 CYS 7 HB2 CYS 7 21.695 1.900 6.015
50 H ALA 8 H ALA 8 20.467 4.041 4.718
51 HA ALA 8 HA ALA 8 19.390 2.144 2.944
52 HB1 ALA 8 HB1 ALA 8 18.512 4.900 3.788
53 HB2 ALA 8 HB2 ALA 8 17.873 3.343 4.320
54 HB3 ALA 8 HB3 ALA 8 17.554 3.915 2.682
55 H ALA 9 H ALA 9 20.537 5.428 2.376
56 HA ALA 9 HA ALA 9 19.923 5.488 -0.377
57 HB1 ALA 9 HB1 ALA 9 21.373 7.434 -0.483
58 HB2 ALA 9 HB2 ALA 9 22.091 7.021 1.074
59 HB3 ALA 9 HB3 ALA 9 20.399 7.511 0.984
60 H LEU 10 H LEU 10 22.644 4.266 1.452
61 HA LEU 10 HA LEU 10 24.465 4.023 -0.684
62 HB2 LEU 10 HB3 LEU 10 25.117 3.847 1.643
63 HB3 LEU 10 HB2 LEU 10 24.124 2.412 1.831
64 HG LEU 10 HG LEU 10 25.471 1.125 0.312
65 HD11 LEU 10 HD11 LEU 10 27.662 2.253 -0.526
66 HD12 LEU 10 HD12 LEU 10 26.829 3.779 -0.235
67 HD13 LEU 10 HD13 LEU 10 26.171 2.618 -1.392
68 HD21 LEU 10 HD21 LEU 10 26.324 1.142 2.550
69 HD22 LEU 10 HD22 LEU 10 27.018 2.746 2.364
70 HD23 LEU 10 HD23 LEU 10 27.726 1.379 1.518
71 H TRP 11 H TRP 11 22.000 1.758 0.601
72 HA TRP 11 HA TRP 11 22.657 -0.207 -1.408
73 HB2 TRP 11 HB3 TRP 11 21.715 -1.288 0.384
74 HB3 TRP 11 HB2 TRP 11 20.668 0.067 0.792
75 HD1 TRP 11 HD1 TRP 11 18.275 -0.522 0.472
76 HE1 TRP 11 HE1 TRP 11 16.880 -1.966 -1.144
77 HE3 TRP 11 HE3 TRP 11 21.993 -2.224 -2.551
78 HZ2 TRP 11 HZ2 TRP 11 17.310 -3.600 -3.468
79 HZ3 TRP 11 HZ3 TRP 11 21.486 -3.705 -4.466
80 HH2 TRP 11 HH2 TRP 11 19.151 -4.395 -4.930
81 H LEU 12 H LEU 12 20.118 2.228 -0.965
82 HA LEU 12 HA LEU 12 18.601 1.536 -3.223
83 HB2 LEU 12 HB3 LEU 12 18.225 3.224 -1.184
84 HB3 LEU 12 HB2 LEU 12 18.758 4.401 -2.366
85 HG LEU 12 HG LEU 12 16.353 4.269 -2.497
86 HD11 LEU 12 HD11 LEU 12 17.810 4.267 -4.647
87 HD12 LEU 12 HD12 LEU 12 16.090 3.922 -4.807
88 HD13 LEU 12 HD13 LEU 12 17.259 2.606 -4.843
89 HD21 LEU 12 HD21 LEU 12 16.200 1.422 -3.358
90 HD22 LEU 12 HD22 LEU 12 15.119 2.351 -2.326
91 HD23 LEU 12 HD23 LEU 12 16.586 1.659 -1.653
92 H GLN 13 H GLN 13 21.296 3.825 -2.850
93 HA GLN 13 HA GLN 13 21.189 4.940 -5.422
94 HB2 GLN 13 HB3 GLN 13 23.429 4.529 -3.446
95 HB3 GLN 13 HB2 GLN 13 23.675 5.345 -4.982
96 HG2 GLN 13 HG3 GLN 13 21.440 6.187 -3.161
97 HG3 GLN 13 HG2 GLN 13 23.071 6.786 -2.900
98 HE21 GLN 13 HE21 GLN 13 22.345 6.099 -6.202
99 HE22 GLN 13 HE22 GLN 13 22.066 7.699 -6.702
100 H CYS 14 H CYS 14 22.776 2.039 -4.183
101 HA CYS 14 HA CYS 14 24.201 1.390 -6.537
102 HB2 CYS 14 HB3 CYS 14 24.730 0.337 -4.406
103 HB3 CYS 14 HB2 CYS 14 23.125 -0.384 -4.336
104 H ALA 15 H ALA 15 20.988 1.718 -6.225
105 HA ALA 15 HA ALA 15 19.969 -0.575 -7.540
106 HB1 ALA 15 HB1 ALA 15 17.978 0.833 -7.921
107 HB2 ALA 15 HB2 ALA 15 18.892 2.240 -7.384
108 HB3 ALA 15 HB3 ALA 15 18.542 0.932 -6.253
109 H SER 16 H SER 16 21.153 2.543 -8.631
110 HA SER 16 HA SER 16 20.843 1.691 -11.439
111 HB2 SER 16 HB3 SER 16 19.748 3.807 -10.910
112 HB3 SER 16 HB2 SER 16 21.260 4.450 -10.275
113 HG SER 16 HG SER 16 22.097 4.484 -12.289
114 H GLY 17 H GLY 17 23.134 2.538 -8.995
115 HA2 GLY 17 HA3 GLY 17 25.380 1.446 -9.476
116 HA3 GLY 17 HA2 GLY 17 25.362 2.409 -10.949
117 H GLY 18 H GLY 18 24.380 3.241 -7.634
118 HA2 GLY 18 HA3 GLY 18 26.460 5.354 -7.596
119 HA3 GLY 18 HA2 GLY 18 24.812 5.647 -7.048
120 H THR 19 H THR 19 27.577 5.574 -5.740
121 HA THR 19 HA THR 19 26.684 4.403 -3.252
122 HB THR 19 HB THR 19 27.613 2.392 -4.016
123 HG1 THR 19 HG1 THR 19 29.797 2.385 -3.007
124 HG21 THR 19 HG21 THR 19 28.571 2.993 -6.113
125 HG22 THR 19 HG22 THR 19 29.935 2.407 -5.158
126 HG23 THR 19 HG23 THR 19 29.688 4.137 -5.369
127 H ILE 20 H ILE 20 28.102 4.951 -1.447
128 HA ILE 20 HA ILE 20 29.108 7.637 -1.625
129 HB ILE 20 HB ILE 20 29.389 5.592 0.603
130 HG12 ILE 20 HG13 ILE 20 27.331 7.794 0.271
131 HG13 ILE 20 HG12 ILE 20 27.025 6.112 -0.157
132 HG21 ILE 20 HG21 ILE 20 29.563 7.712 1.985
133 HG22 ILE 20 HG22 ILE 20 29.726 8.600 0.470
134 HG23 ILE 20 HG23 ILE 20 30.939 7.404 0.926
135 HD11 ILE 20 HD11 ILE 20 27.459 5.411 2.151
136 HD12 ILE 20 HD12 ILE 20 26.215 6.661 2.136
137 HD13 ILE 20 HD13 ILE 20 27.868 7.068 2.600
138 H GLY 21 H GLY 21 30.531 4.404 -1.350
139 HA2 GLY 21 HA3 GLY 21 33.216 5.202 -1.036
140 HA3 GLY 21 HA2 GLY 21 32.682 3.636 -1.626
141 H CYS 22 H CYS 22 31.147 5.117 -3.781
142 HA CYS 22 HA CYS 22 31.457 5.575 -6.009
143 HB2 CYS 22 HB3 CYS 22 32.168 7.727 -5.272
144 HB3 CYS 22 HB2 CYS 22 33.733 7.105 -4.755
145 H GLY 23 H GLY 23 31.940 3.890 -7.257
146 HA2 GLY 23 HA3 GLY 23 33.959 3.183 -8.671
147 HA3 GLY 23 HA2 GLY 23 34.644 2.690 -7.127
148 H GLY 24 H GLY 24 32.672 1.795 -9.728
149 HA2 GLY 24 HA3 GLY 24 31.375 -0.058 -10.193
150 HA3 GLY 24 HA2 GLY 24 32.542 -0.899 -9.178
151 H GLY 25 H GLY 25 29.628 1.143 -8.948
152 HA2 GLY 25 HA3 GLY 25 28.975 0.592 -6.289
153 HA3 GLY 25 HA2 GLY 25 27.813 1.033 -7.532
154 H ALA 26 H ALA 26 29.274 -1.625 -8.737
155 HA ALA 26 HA ALA 26 27.042 -3.288 -8.418
156 HB1 ALA 26 HB1 ALA 26 29.861 -4.207 -8.989
157 HB2 ALA 26 HB2 ALA 26 28.808 -3.479 -10.202
158 HB3 ALA 26 HB3 ALA 26 28.360 -5.011 -9.450
159 H VAL 27 H VAL 27 30.185 -3.343 -6.804
160 HA VAL 27 HA VAL 27 29.531 -5.502 -5.035
161 HB VAL 27 HB VAL 27 31.860 -4.872 -5.737
162 HG11 VAL 27 HG11 VAL 27 32.962 -3.004 -4.709
163 HG12 VAL 27 HG12 VAL 27 31.565 -2.665 -3.691
164 HG13 VAL 27 HG13 VAL 27 31.474 -2.398 -5.426
165 HG21 VAL 27 HG21 VAL 27 31.395 -4.854 -2.740
166 HG22 VAL 27 HG22 VAL 27 32.876 -5.334 -3.563
167 HG23 VAL 27 HG23 VAL 27 31.417 -6.306 -3.740
168 H ALA 28 H ALA 28 28.869 -2.123 -5.019
169 HA ALA 28 HA ALA 28 28.780 -1.598 -2.260
170 HB1 ALA 28 HB1 ALA 28 26.912 -0.488 -4.342
171 HB2 ALA 28 HB2 ALA 28 28.540 0.113 -4.065
172 HB3 ALA 28 HB3 ALA 28 27.325 0.238 -2.802
173 H CYS 29 H CYS 29 26.549 -3.303 -4.360
174 HA CYS 29 HA CYS 29 24.245 -3.204 -2.767
175 HB2 CYS 29 HB3 CYS 29 25.247 -5.440 -4.527
176 HB3 CYS 29 HB2 CYS 29 23.619 -5.279 -3.904
177 H GLN 30 H GLN 30 26.836 -5.644 -2.922
178 HA GLN 30 HA GLN 30 25.656 -7.203 -0.854
179 HB2 GLN 30 HB3 GLN 30 27.965 -8.322 -0.737
180 HB3 GLN 30 HB2 GLN 30 27.072 -8.460 -2.244
181 HG2 GLN 30 HG3 GLN 30 29.160 -7.858 -3.047
182 HG3 GLN 30 HG2 GLN 30 28.426 -6.282 -2.882
183 HE21 GLN 30 HE21 GLN 30 30.627 -8.574 -1.235
184 HE22 GLN 30 HE22 GLN 30 31.433 -7.390 -0.323
185 H ASN 31 H ASN 31 27.959 -4.603 -0.869
186 HA ASN 31 HA ASN 31 29.078 -4.834 1.661
187 HB2 ASN 31 HB3 ASN 31 28.363 -2.461 -0.074
188 HB3 ASN 31 HB2 ASN 31 29.068 -2.258 1.510
189 HD21 ASN 31 HD21 ASN 31 29.929 -3.080 -1.766
190 HD22 ASN 31 HD22 ASN 31 31.536 -3.529 -1.436
191 H TYR 32 H TYR 32 25.921 -3.716 0.700
192 HA TYR 32 HA TYR 32 25.110 -2.454 3.051
193 HB2 TYR 32 HB3 TYR 32 23.754 -2.271 1.087
194 HB3 TYR 32 HB2 TYR 32 23.566 -4.023 1.005
195 HD1 TYR 32 HD1 TYR 32 22.315 -5.227 2.722
196 HD2 TYR 32 HD2 TYR 32 22.363 -0.943 2.563
197 HE1 TYR 32 HE1 TYR 32 20.366 -5.171 4.203
198 HE2 TYR 32 HE2 TYR 32 20.380 -0.865 4.040
199 HH TYR 32 HH TYR 32 18.396 -3.383 4.589
200 H ARG 33 H ARG 33 24.825 -5.908 2.173
201 HA ARG 33 HA ARG 33 23.470 -6.633 4.548
202 HB2 ARG 33 HB3 ARG 33 24.107 -7.963 2.260
203 HB3 ARG 33 HB2 ARG 33 25.313 -8.660 3.359
204 HG2 ARG 33 HG3 ARG 33 23.511 -10.097 3.695
205 HG3 ARG 33 HG2 ARG 33 23.273 -8.932 4.999
206 HD2 ARG 33 HD3 ARG 33 21.114 -9.145 3.988
207 HD3 ARG 33 HD2 ARG 33 21.746 -7.640 3.339
208 HE ARG 33 HE ARG 33 21.514 -10.202 1.894
209 HH11 ARG 33 HH21 ARG 33 22.288 -6.813 1.915
210 HH12 ARG 33 HH22 ARG 33 22.275 -6.674 0.192
211 HH21 ARG 33 HH11 ARG 33 21.495 -10.004 -0.346
212 HH22 ARG 33 HH12 ARG 33 21.830 -8.475 -1.089
213 H GLN 34 H GLN 34 26.876 -6.515 3.691
214 HA GLN 34 HA GLN 34 27.949 -7.655 6.049
215 HB2 GLN 34 HB3 GLN 34 29.195 -5.548 4.305
216 HB3 GLN 34 HB2 GLN 34 30.029 -6.743 5.286
217 HG2 GLN 34 HG3 GLN 34 29.156 -8.550 3.910
218 HG3 GLN 34 HG2 GLN 34 28.199 -7.411 2.970
219 HE21 GLN 34 HE21 GLN 34 29.158 -6.913 1.024
220 HE22 GLN 34 HE22 GLN 34 30.833 -6.829 0.748
221 H PHE 35 H PHE 35 27.264 -4.261 5.172
222 HA PHE 35 HA PHE 35 28.191 -3.355 7.797
223 HB2 PHE 35 HB3 PHE 35 27.165 -1.916 5.352
224 HB3 PHE 35 HB2 PHE 35 27.458 -1.076 6.870
225 HD1 PHE 35 HD2 PHE 35 29.905 -1.881 7.992
226 HD2 PHE 35 HD1 PHE 35 28.920 -1.749 3.791
227 HE1 PHE 35 HE2 PHE 35 32.303 -1.754 7.417
228 HE2 PHE 35 HE1 PHE 35 31.329 -1.632 3.241
229 HZ PHE 35 HZ PHE 35 33.015 -1.630 5.052
230 H CYS 36 H CYS 36 25.182 -3.160 5.865
231 HA CYS 36 HA CYS 36 23.699 -2.804 8.382
232 HB2 CYS 36 HB3 CYS 36 23.339 -1.833 5.591
233 HB3 CYS 36 HB2 CYS 36 21.876 -2.195 6.496
234 H ARG 37 H ARG 37 23.121 -4.738 9.125
235 HA ARG 37 HA ARG 37 22.513 -6.961 7.404
236 HB2 ARG 37 HB3 ARG 37 22.239 -6.525 10.380
237 HB3 ARG 37 HB2 ARG 37 21.775 -8.029 9.585
238 HG2 ARG 37 HG3 ARG 37 24.054 -8.291 8.706
239 HG3 ARG 37 HG2 ARG 37 24.529 -6.765 9.453
240 HD2 ARG 37 HD3 ARG 37 24.023 -7.682 11.677
241 HD3 ARG 37 HD2 ARG 37 23.510 -9.199 10.945
242 HE ARG 37 HE ARG 37 26.123 -8.679 10.074
243 HH11 ARG 37 HH21 ARG 37 24.367 -9.331 12.983
244 HH12 ARG 37 HH22 ARG 37 25.696 -10.113 13.773
245 HH21 ARG 37 HH11 ARG 37 27.869 -9.703 11.102
246 HH22 ARG 37 HH12 ARG 37 27.679 -10.324 12.708
247 H2 BGC 101 H2 GLC 0 34.780 7.745 -9.200
248 H3 BGC 101 H3 GLC 0 36.243 5.143 -8.459
249 H4 BGC 101 H4 GLC 0 37.363 7.998 -8.549
250 H5 BGC 101 H5 GLC 0 36.760 6.231 -6.081
251 H6C1 BGC 101 H61 GLC 0 38.025 7.635 -4.864
252 H6C2 BGC 101 H62 GLC 0 38.610 8.378 -6.368
253 H1 BGC 101 H1 GLC 0 34.428 5.961 -6.688
254 HB BGC 101 HO2 GLC 0 33.015 6.250 -9.108
255 HC BGC 101 HO3 GLC 0 37.398 5.556 -10.239
256 HD BGC 101 HO4 GLC 0 39.160 6.929 -8.519
257 H6 BGC 101 HO6 GLC 0 37.156 9.457 -4.487
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 26.976 4.933 4.521
2 H2 GLY 1 H2 GLY 1 26.964 3.369 5.185
3 H3 GLY 1 H3 GLY 1 27.861 3.691 3.778
4 HA2 GLY 1 HA3 GLY 1 29.502 3.683 5.373
5 HA3 GLY 1 HA2 GLY 1 29.097 5.396 5.243
6 H LEU 2 H LEU 2 27.035 2.939 6.688
7 HA LEU 2 HA LEU 2 26.153 2.722 8.799
8 HB2 LEU 2 HB3 LEU 2 28.797 3.906 9.697
9 HB3 LEU 2 HB2 LEU 2 27.715 2.903 10.657
10 HG LEU 2 HG LEU 2 29.089 2.000 8.107
11 HD11 LEU 2 HD11 LEU 2 30.552 0.694 9.597
12 HD12 LEU 2 HD12 LEU 2 29.733 1.367 11.008
13 HD13 LEU 2 HD13 LEU 2 30.687 2.416 9.958
14 HD21 LEU 2 HD21 LEU 2 27.261 0.671 10.115
15 HD22 LEU 2 HD22 LEU 2 28.418 -0.288 9.194
16 HD23 LEU 2 HD23 LEU 2 27.180 0.637 8.352
17 H GLY 3 H GLY 3 26.701 5.582 7.358
18 HA2 GLY 3 HA3 GLY 3 25.949 7.333 9.570
19 HA3 GLY 3 HA2 GLY 3 26.328 7.827 7.927
20 H LYS 4 H LYS 4 24.150 8.865 9.230
21 HA LYS 4 HA LYS 4 21.729 7.457 8.763
22 HB2 LYS 4 HB3 LYS 4 20.640 9.574 9.243
23 HB3 LYS 4 HB2 LYS 4 22.080 9.535 10.263
24 HG2 LYS 4 HG3 LYS 4 23.283 10.871 8.460
25 HG3 LYS 4 HG2 LYS 4 21.745 11.036 7.641
26 HD2 LYS 4 HD3 LYS 4 20.755 12.147 9.584
27 HD3 LYS 4 HD2 LYS 4 22.266 11.978 10.478
28 HE2 LYS 4 HE3 LYS 4 23.423 13.335 8.759
29 HE3 LYS 4 HE2 LYS 4 21.897 13.524 7.894
30 HZ1 LYS 4 HZ1 LYS 4 21.270 15.119 9.279
31 HZ2 LYS 4 HZ2 LYS 4 22.844 15.116 9.918
32 HZ3 LYS 4 HZ3 LYS 4 21.625 14.183 10.647
33 H ALA 5 H ALA 5 20.657 7.171 6.930
34 HA ALA 5 HA ALA 5 19.961 7.343 4.756
35 HB1 ALA 5 HB1 ALA 5 19.892 9.851 5.478
36 HB2 ALA 5 HB2 ALA 5 19.855 9.455 3.761
37 HB3 ALA 5 HB3 ALA 5 21.357 9.996 4.509
38 H GLN 6 H GLN 6 23.239 7.741 5.708
39 HA GLN 6 HA GLN 6 24.390 7.624 3.155
40 HB2 GLN 6 HB3 GLN 6 25.393 7.021 5.926
41 HB3 GLN 6 HB2 GLN 6 26.389 6.759 4.523
42 HG2 GLN 6 HG3 GLN 6 25.078 9.405 5.179
43 HG3 GLN 6 HG2 GLN 6 26.747 9.009 5.613
44 HE21 GLN 6 HE21 GLN 6 25.139 10.758 3.374
45 HE22 GLN 6 HE22 GLN 6 26.137 10.524 2.021
46 H CYS 7 H CYS 7 23.485 5.349 5.629
47 HA CYS 7 HA CYS 7 24.417 3.025 4.250
48 HB2 CYS 7 HB3 CYS 7 23.748 3.454 6.809
49 HB3 CYS 7 HB2 CYS 7 22.218 2.776 6.259
50 H ALA 8 H ALA 8 21.169 4.399 4.744
51 HA ALA 8 HA ALA 8 19.831 2.475 3.186
52 HB1 ALA 8 HB1 ALA 8 18.091 4.352 2.978
53 HB2 ALA 8 HB2 ALA 8 19.201 5.307 3.965
54 HB3 ALA 8 HB3 ALA 8 18.509 3.817 4.606
55 H ALA 9 H ALA 9 21.161 5.616 2.323
56 HA ALA 9 HA ALA 9 20.298 5.598 -0.368
57 HB1 ALA 9 HB1 ALA 9 22.719 6.976 0.810
58 HB2 ALA 9 HB2 ALA 9 21.082 7.635 0.800
59 HB3 ALA 9 HB3 ALA 9 21.934 7.366 -0.719
60 H LEU 10 H LEU 10 23.045 4.211 1.300
61 HA LEU 10 HA LEU 10 24.662 3.701 -0.953
62 HB2 LEU 10 HB3 LEU 10 25.424 3.590 1.383
63 HB3 LEU 10 HB2 LEU 10 24.414 2.180 1.641
64 HG LEU 10 HG LEU 10 25.694 0.868 0.045
65 HD11 LEU 10 HD11 LEU 10 27.904 1.962 -0.783
66 HD12 LEU 10 HD12 LEU 10 27.097 3.498 -0.470
67 HD13 LEU 10 HD13 LEU 10 26.422 2.364 -1.642
68 HD21 LEU 10 HD21 LEU 10 26.559 0.827 2.277
69 HD22 LEU 10 HD22 LEU 10 27.292 2.416 2.104
70 HD23 LEU 10 HD23 LEU 10 27.956 1.043 1.231
71 H TRP 11 H TRP 11 22.063 1.750 0.584
72 HA TRP 11 HA TRP 11 22.398 -0.347 -1.400
73 HB2 TRP 11 HB3 TRP 11 21.326 -1.490 0.239
74 HB3 TRP 11 HB2 TRP 11 21.002 0.009 1.097
75 HD1 TRP 11 HD1 TRP 11 18.626 0.931 1.054
76 HE1 TRP 11 HE1 TRP 11 16.386 0.143 0.061
77 HE3 TRP 11 HE3 TRP 11 20.322 -2.751 -2.039
78 HZ2 TRP 11 HZ2 TRP 11 15.448 -1.786 -1.839
79 HZ3 TRP 11 HZ3 TRP 11 18.736 -4.042 -3.434
80 HH2 TRP 11 HH2 TRP 11 16.306 -3.562 -3.343
81 H LEU 12 H LEU 12 20.156 2.327 -0.831
82 HA LEU 12 HA LEU 12 18.339 1.734 -2.890
83 HB2 LEU 12 HB3 LEU 12 18.316 3.496 -0.918
84 HB3 LEU 12 HB2 LEU 12 18.949 4.579 -2.145
85 HG LEU 12 HG LEU 12 16.397 2.951 -2.394
86 HD11 LEU 12 HD11 LEU 12 16.874 5.896 -1.869
87 HD12 LEU 12 HD12 LEU 12 16.104 4.735 -0.787
88 HD13 LEU 12 HD13 LEU 12 15.306 5.205 -2.288
89 HD21 LEU 12 HD21 LEU 12 17.911 4.748 -4.278
90 HD22 LEU 12 HD22 LEU 12 16.150 4.715 -4.362
91 HD23 LEU 12 HD23 LEU 12 17.068 3.234 -4.607
92 H GLN 13 H GLN 13 21.268 3.735 -2.855
93 HA GLN 13 HA GLN 13 21.074 4.714 -5.477
94 HB2 GLN 13 HB3 GLN 13 23.393 4.179 -3.633
95 HB3 GLN 13 HB2 GLN 13 23.614 4.883 -5.226
96 HG2 GLN 13 HG3 GLN 13 21.615 6.052 -3.304
97 HG3 GLN 13 HG2 GLN 13 23.313 6.493 -3.208
98 HE21 GLN 13 HE21 GLN 13 22.259 5.712 -6.401
99 HE22 GLN 13 HE22 GLN 13 22.098 7.305 -6.970
100 H CYS 14 H CYS 14 22.446 1.726 -4.166
101 HA CYS 14 HA CYS 14 23.676 0.810 -6.508
102 HB2 CYS 14 HB3 CYS 14 23.578 -0.156 -4.014
103 HB3 CYS 14 HB2 CYS 14 22.342 -1.186 -4.727
104 H ALA 15 H ALA 15 20.465 1.406 -5.974
105 HA ALA 15 HA ALA 15 19.238 -0.678 -7.434
106 HB1 ALA 15 HB1 ALA 15 17.301 0.770 -7.465
107 HB2 ALA 15 HB2 ALA 15 18.305 2.166 -7.073
108 HB3 ALA 15 HB3 ALA 15 18.076 0.884 -5.883
109 H SER 16 H SER 16 20.592 2.435 -8.301
110 HA SER 16 HA SER 16 19.891 2.064 -11.115
111 HB2 SER 16 HB3 SER 16 19.588 4.292 -10.084
112 HB3 SER 16 HB2 SER 16 21.320 4.361 -9.767
113 HG SER 16 HG SER 16 21.684 4.714 -11.826
114 H GLY 17 H GLY 17 22.646 2.050 -8.979
115 HA2 GLY 17 HA3 GLY 17 24.468 0.494 -9.676
116 HA3 GLY 17 HA2 GLY 17 24.415 1.296 -11.244
117 H GLY 18 H GLY 18 24.195 2.734 -8.003
118 HA2 GLY 18 HA3 GLY 18 26.880 3.851 -8.223
119 HA3 GLY 18 HA2 GLY 18 25.557 5.008 -8.266
120 H THR 19 H THR 19 27.023 5.585 -6.299
121 HA THR 19 HA THR 19 25.600 4.729 -3.910
122 HB THR 19 HB THR 19 27.592 4.174 -2.651
123 HG1 THR 19 HG1 THR 19 29.407 4.048 -4.609
124 HG21 THR 19 HG21 THR 19 26.543 2.379 -4.112
125 HG22 THR 19 HG22 THR 19 28.246 2.105 -3.738
126 HG23 THR 19 HG23 THR 19 27.782 2.728 -5.319
127 H ILE 20 H ILE 20 27.535 5.913 -2.147
128 HA ILE 20 HA ILE 20 27.542 8.752 -2.985
129 HB ILE 20 HB ILE 20 27.051 9.009 -0.366
130 HG12 ILE 20 HG13 ILE 20 25.310 7.319 0.299
131 HG13 ILE 20 HG12 ILE 20 25.782 6.329 -1.056
132 HG21 ILE 20 HG21 ILE 20 24.572 9.069 -0.971
133 HG22 ILE 20 HG22 ILE 20 25.048 8.489 -2.568
134 HG23 ILE 20 HG23 ILE 20 25.638 10.044 -1.983
135 HD11 ILE 20 HD11 ILE 20 26.838 5.794 1.239
136 HD12 ILE 20 HD12 ILE 20 27.790 7.260 1.015
137 HD13 ILE 20 HD13 ILE 20 27.947 5.922 -0.125
138 H GLY 21 H GLY 21 29.431 6.192 -2.289
139 HA2 GLY 21 HA3 GLY 21 31.455 7.821 -0.835
140 HA3 GLY 21 HA2 GLY 21 31.263 6.088 -0.606
141 H CYS 22 H CYS 22 30.752 6.946 -3.837
142 HA CYS 22 HA CYS 22 31.901 6.223 -5.709
143 HB2 CYS 22 HB3 CYS 22 32.603 8.515 -5.557
144 HB3 CYS 22 HB2 CYS 22 33.820 8.114 -4.346
145 H GLY 23 H GLY 23 32.260 4.009 -5.428
146 HA2 GLY 23 HA3 GLY 23 34.562 2.807 -5.758
147 HA3 GLY 23 HA2 GLY 23 34.713 3.158 -4.042
148 H GLY 24 H GLY 24 33.475 1.043 -6.376
149 HA2 GLY 24 HA3 GLY 24 33.040 -1.236 -5.401
150 HA3 GLY 24 HA2 GLY 24 31.884 -0.431 -4.346
151 H GLY 25 H GLY 25 30.146 0.750 -5.463
152 HA2 GLY 25 HA3 GLY 25 28.255 0.776 -6.709
153 HA3 GLY 25 HA2 GLY 25 29.331 0.518 -8.077
154 H ALA 26 H ALA 26 30.110 -1.792 -8.233
155 HA ALA 26 HA ALA 26 27.796 -3.429 -8.578
156 HB1 ALA 26 HB1 ALA 26 29.379 -5.203 -9.234
157 HB2 ALA 26 HB2 ALA 26 30.720 -4.202 -8.674
158 HB3 ALA 26 HB3 ALA 26 29.742 -3.682 -10.049
159 H VAL 27 H VAL 27 30.567 -3.579 -6.434
160 HA VAL 27 HA VAL 27 29.491 -5.715 -4.872
161 HB VAL 27 HB VAL 27 31.356 -5.105 -3.276
162 HG11 VAL 27 HG11 VAL 27 31.824 -5.877 -6.148
163 HG12 VAL 27 HG12 VAL 27 31.749 -6.924 -4.729
164 HG13 VAL 27 HG13 VAL 27 33.138 -5.869 -4.973
165 HG21 VAL 27 HG21 VAL 27 32.871 -3.425 -3.719
166 HG22 VAL 27 HG22 VAL 27 31.450 -2.694 -4.443
167 HG23 VAL 27 HG23 VAL 27 32.629 -3.513 -5.461
168 H ALA 28 H ALA 28 28.983 -2.349 -5.022
169 HA ALA 28 HA ALA 28 28.475 -1.637 -2.368
170 HB1 ALA 28 HB1 ALA 28 27.090 0.102 -3.254
171 HB2 ALA 28 HB2 ALA 28 26.839 -0.787 -4.737
172 HB3 ALA 28 HB3 ALA 28 28.424 -0.123 -4.380
173 H CYS 29 H CYS 29 26.425 -3.442 -4.646
174 HA CYS 29 HA CYS 29 24.095 -3.330 -3.060
175 HB2 CYS 29 HB3 CYS 29 25.090 -5.373 -5.037
176 HB3 CYS 29 HB2 CYS 29 23.532 -5.497 -4.240
177 H GLN 30 H GLN 30 26.619 -5.828 -3.254
178 HA GLN 30 HA GLN 30 25.447 -7.398 -1.193
179 HB2 GLN 30 HB3 GLN 30 27.756 -8.556 -1.149
180 HB3 GLN 30 HB2 GLN 30 26.811 -8.664 -2.628
181 HG2 GLN 30 HG3 GLN 30 28.808 -8.023 -3.570
182 HG3 GLN 30 HG2 GLN 30 28.199 -6.435 -3.198
183 HE21 GLN 30 HE21 GLN 30 30.187 -9.043 -1.763
184 HE22 GLN 30 HE22 GLN 30 31.215 -8.005 -0.900
185 H ASN 31 H ASN 31 27.972 -4.944 -1.206
186 HA ASN 31 HA ASN 31 29.066 -5.284 1.296
187 HB2 ASN 31 HB3 ASN 31 28.454 -2.805 -0.333
188 HB3 ASN 31 HB2 ASN 31 29.229 -2.726 1.234
189 HD21 ASN 31 HD21 ASN 31 29.970 -3.313 -2.091
190 HD22 ASN 31 HD22 ASN 31 31.535 -3.941 -1.866
191 H TYR 32 H TYR 32 25.943 -4.022 0.421
192 HA TYR 32 HA TYR 32 25.225 -2.778 2.814
193 HB2 TYR 32 HB3 TYR 32 23.841 -2.494 0.893
194 HB3 TYR 32 HB2 TYR 32 23.578 -4.232 0.767
195 HD1 TYR 32 HD2 TYR 32 22.277 -5.438 2.444
196 HD2 TYR 32 HD1 TYR 32 22.566 -1.156 2.472
197 HE1 TYR 32 HE2 TYR 32 20.347 -5.335 3.953
198 HE2 TYR 32 HE1 TYR 32 20.614 -1.031 3.986
199 HH TYR 32 HH TYR 32 19.188 -3.945 5.391
200 H ARG 33 H ARG 33 24.736 -6.216 1.906
201 HA ARG 33 HA ARG 33 23.428 -6.873 4.333
202 HB2 ARG 33 HB3 ARG 33 23.920 -8.227 2.011
203 HB3 ARG 33 HB2 ARG 33 25.095 -9.010 3.080
204 HG2 ARG 33 HG3 ARG 33 23.196 -10.324 3.413
205 HG3 ARG 33 HG2 ARG 33 23.089 -9.179 4.751
206 HD2 ARG 33 HD3 ARG 33 20.892 -9.162 3.849
207 HD3 ARG 33 HD2 ARG 33 21.622 -7.741 3.110
208 HE ARG 33 HE ARG 33 21.059 -10.318 1.785
209 HH11 ARG 33 HH21 ARG 33 22.258 -7.053 1.616
210 HH12 ARG 33 HH22 ARG 33 22.153 -6.975 -0.109
211 HH21 ARG 33 HH11 ARG 33 20.951 -10.201 -0.461
212 HH22 ARG 33 HH12 ARG 33 21.419 -8.748 -1.280
213 H GLN 34 H GLN 34 26.775 -6.855 3.312
214 HA GLN 34 HA GLN 34 27.930 -8.105 5.568
215 HB2 GLN 34 HB3 GLN 34 29.119 -5.964 3.821
216 HB3 GLN 34 HB2 GLN 34 29.993 -7.185 4.736
217 HG2 GLN 34 HG3 GLN 34 28.966 -8.961 3.388
218 HG3 GLN 34 HG2 GLN 34 28.053 -7.759 2.483
219 HE21 GLN 34 HE21 GLN 34 28.990 -7.357 0.503
220 HE22 GLN 34 HE22 GLN 34 30.664 -7.342 0.196
221 H PHE 35 H PHE 35 27.349 -4.657 4.833
222 HA PHE 35 HA PHE 35 28.371 -3.878 7.458
223 HB2 PHE 35 HB3 PHE 35 27.328 -2.336 5.087
224 HB3 PHE 35 HB2 PHE 35 27.663 -1.543 6.622
225 HD1 PHE 35 HD2 PHE 35 30.130 -2.466 7.666
226 HD2 PHE 35 HD1 PHE 35 29.052 -2.109 3.498
227 HE1 PHE 35 HE2 PHE 35 32.514 -2.371 7.040
228 HE2 PHE 35 HE1 PHE 35 31.446 -2.025 2.901
229 HZ PHE 35 HZ PHE 35 33.177 -2.155 4.665
230 H CYS 36 H CYS 36 25.317 -3.552 5.632
231 HA CYS 36 HA CYS 36 23.918 -3.150 8.188
232 HB2 CYS 36 HB3 CYS 36 23.482 -2.237 5.382
233 HB3 CYS 36 HB2 CYS 36 22.053 -2.519 6.365
234 H ARG 37 H ARG 37 23.327 -5.076 8.971
235 HA ARG 37 HA ARG 37 22.641 -7.304 7.282
236 HB2 ARG 37 HB3 ARG 37 23.687 -7.587 9.518
237 HB3 ARG 37 HB2 ARG 37 22.220 -6.948 10.261
238 HG2 ARG 37 HG3 ARG 37 20.907 -8.786 9.263
239 HG3 ARG 37 HG2 ARG 37 22.372 -9.425 8.516
240 HD2 ARG 37 HD3 ARG 37 23.369 -9.629 10.814
241 HD3 ARG 37 HD2 ARG 37 21.804 -9.167 11.481
242 HE ARG 37 HE ARG 37 21.639 -11.395 9.656
243 HH11 ARG 37 HH21 ARG 37 22.306 -10.373 12.895
244 HH12 ARG 37 HH22 ARG 37 21.901 -11.900 13.606
245 HH21 ARG 37 HH11 ARG 37 21.109 -13.399 10.582
246 HH22 ARG 37 HH12 ARG 37 21.224 -13.612 12.296
247 H2 BGC 101 H2 GLC 0 36.284 6.962 -8.067
248 H3 BGC 101 H3 GLC 0 37.033 4.825 -5.985
249 H4 BGC 101 H4 GLC 0 38.540 7.401 -6.698
250 H5 BGC 101 H5 GLC 0 36.938 6.741 -4.135
251 H6C1 BGC 101 H61 GLC 0 37.954 8.483 -3.143
252 H6C2 BGC 101 H62 GLC 0 39.085 8.575 -4.511
253 H1 BGC 101 H1 GLC 0 34.899 6.299 -5.372
254 HB BGC 101 HO2 GLC 0 34.375 5.652 -8.063
255 HC BGC 101 HO3 GLC 0 38.735 4.494 -7.276
256 HD BGC 101 HO4 GLC 0 40.056 6.395 -5.667
257 H6 BGC 101 HO6 GLC 0 37.294 10.325 -3.771
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 28.022 2.950 4.064
2 H2 GLY 1 H2 GLY 1 27.693 2.413 5.641
3 H3 GLY 1 H3 GLY 1 29.264 2.902 5.219
4 HA2 GLY 1 HA3 GLY 1 28.735 5.132 5.196
5 HA3 GLY 1 HA2 GLY 1 27.016 4.793 4.988
6 H LEU 2 H LEU 2 26.546 2.917 6.923
7 HA LEU 2 HA LEU 2 25.988 2.724 9.143
8 HB2 LEU 2 HB3 LEU 2 28.619 4.157 9.614
9 HB3 LEU 2 HB2 LEU 2 27.769 3.115 10.753
10 HG LEU 2 HG LEU 2 28.837 2.199 8.065
11 HD11 LEU 2 HD11 LEU 2 30.699 2.804 9.500
12 HD12 LEU 2 HD12 LEU 2 30.573 1.045 9.475
13 HD13 LEU 2 HD13 LEU 2 29.977 1.952 10.865
14 HD21 LEU 2 HD21 LEU 2 27.482 0.825 10.394
15 HD22 LEU 2 HD22 LEU 2 28.575 -0.074 9.343
16 HD23 LEU 2 HD23 LEU 2 27.134 0.679 8.670
17 H GLY 3 H GLY 3 26.115 5.581 7.570
18 HA2 GLY 3 HA3 GLY 3 25.375 7.259 9.877
19 HA3 GLY 3 HA2 GLY 3 25.769 7.838 8.265
20 H LYS 4 H LYS 4 23.513 8.718 9.556
21 HA LYS 4 HA LYS 4 21.178 7.215 8.968
22 HB2 LYS 4 HB3 LYS 4 19.970 9.257 9.502
23 HB3 LYS 4 HB2 LYS 4 21.379 9.234 10.565
24 HG2 LYS 4 HG3 LYS 4 22.571 10.708 8.865
25 HG3 LYS 4 HG2 LYS 4 21.052 10.842 8.006
26 HD2 LYS 4 HD3 LYS 4 19.953 11.805 9.975
27 HD3 LYS 4 HD2 LYS 4 21.452 11.677 10.896
28 HE2 LYS 4 HE3 LYS 4 21.166 13.252 8.324
29 HE3 LYS 4 HE2 LYS 4 21.073 13.961 9.936
30 HZ1 LYS 4 HZ1 LYS 4 23.392 12.451 8.853
31 HZ2 LYS 4 HZ2 LYS 4 23.299 13.166 10.392
32 HZ3 LYS 4 HZ3 LYS 4 23.300 14.137 8.998
33 H ALA 5 H ALA 5 20.165 6.951 7.098
34 HA ALA 5 HA ALA 5 19.522 7.167 4.916
35 HB1 ALA 5 HB1 ALA 5 20.725 9.920 4.821
36 HB2 ALA 5 HB2 ALA 5 19.262 9.623 5.756
37 HB3 ALA 5 HB3 ALA 5 19.275 9.310 4.021
38 H GLN 6 H GLN 6 22.748 7.728 5.966
39 HA GLN 6 HA GLN 6 23.970 7.800 3.438
40 HB2 GLN 6 HB3 GLN 6 24.927 7.132 6.212
41 HB3 GLN 6 HB2 GLN 6 25.977 6.969 4.836
42 HG2 GLN 6 HG3 GLN 6 24.540 9.531 5.560
43 HG3 GLN 6 HG2 GLN 6 26.211 9.179 6.022
44 HE21 GLN 6 HE21 GLN 6 24.570 10.938 3.797
45 HE22 GLN 6 HE22 GLN 6 25.622 10.809 2.471
46 H CYS 7 H CYS 7 23.130 5.414 5.815
47 HA CYS 7 HA CYS 7 24.212 3.155 4.462
48 HB2 CYS 7 HB3 CYS 7 23.378 3.535 6.980
49 HB3 CYS 7 HB2 CYS 7 21.910 2.800 6.337
50 H ALA 8 H ALA 8 20.877 4.378 4.767
51 HA ALA 8 HA ALA 8 19.728 2.395 3.131
52 HB1 ALA 8 HB1 ALA 8 18.254 3.662 4.473
53 HB2 ALA 8 HB2 ALA 8 17.910 4.189 2.825
54 HB3 ALA 8 HB3 ALA 8 18.911 5.188 3.882
55 H ALA 9 H ALA 9 20.973 5.594 2.362
56 HA ALA 9 HA ALA 9 20.258 5.578 -0.373
57 HB1 ALA 9 HB1 ALA 9 20.933 7.613 0.921
58 HB2 ALA 9 HB2 ALA 9 21.777 7.436 -0.617
59 HB3 ALA 9 HB3 ALA 9 22.595 7.024 0.890
60 H LEU 10 H LEU 10 22.992 4.319 1.416
61 HA LEU 10 HA LEU 10 24.717 3.869 -0.764
62 HB2 LEU 10 HB3 LEU 10 25.340 3.819 1.632
63 HB3 LEU 10 HB2 LEU 10 24.397 2.354 1.831
64 HG LEU 10 HG LEU 10 25.858 1.097 0.368
65 HD11 LEU 10 HD11 LEU 10 26.576 2.591 -1.325
66 HD12 LEU 10 HD12 LEU 10 28.033 2.317 -0.379
67 HD13 LEU 10 HD13 LEU 10 27.109 3.803 -0.155
68 HD21 LEU 10 HD21 LEU 10 28.021 1.423 1.668
69 HD22 LEU 10 HD22 LEU 10 26.584 1.223 2.666
70 HD23 LEU 10 HD23 LEU 10 27.273 2.824 2.423
71 H TRP 11 H TRP 11 22.129 1.836 0.678
72 HA TRP 11 HA TRP 11 22.616 -0.266 -1.271
73 HB2 TRP 11 HB3 TRP 11 21.544 -1.452 0.329
74 HB3 TRP 11 HB2 TRP 11 21.150 0.030 1.184
75 HD1 TRP 11 HD1 TRP 11 18.738 0.923 1.028
76 HE1 TRP 11 HE1 TRP 11 16.539 -0.017 0.070
77 HE3 TRP 11 HE3 TRP 11 20.607 -2.858 -1.827
78 HZ2 TRP 11 HZ2 TRP 11 15.694 -2.100 -1.714
79 HZ3 TRP 11 HZ3 TRP 11 19.090 -4.306 -3.150
80 HH2 TRP 11 HH2 TRP 11 16.639 -3.929 -3.101
81 H LEU 12 H LEU 12 20.204 2.290 -0.792
82 HA LEU 12 HA LEU 12 18.519 1.609 -2.936
83 HB2 LEU 12 HB3 LEU 12 18.248 3.315 -0.968
84 HB3 LEU 12 HB2 LEU 12 18.969 4.460 -2.087
85 HG LEU 12 HG LEU 12 17.132 3.461 -3.765
86 HD11 LEU 12 HD11 LEU 12 15.648 3.264 -1.138
87 HD12 LEU 12 HD12 LEU 12 16.390 1.850 -1.877
88 HD13 LEU 12 HD13 LEU 12 15.127 2.728 -2.735
89 HD21 LEU 12 HD21 LEU 12 15.592 5.293 -3.035
90 HD22 LEU 12 HD22 LEU 12 17.270 5.822 -3.153
91 HD23 LEU 12 HD23 LEU 12 16.561 5.485 -1.574
92 H GLN 13 H GLN 13 21.270 3.849 -2.791
93 HA GLN 13 HA GLN 13 21.041 4.771 -5.447
94 HB2 GLN 13 HB3 GLN 13 23.420 4.629 -3.583
95 HB3 GLN 13 HB2 GLN 13 23.395 5.493 -5.109
96 HG2 GLN 13 HG3 GLN 13 21.278 6.027 -3.050
97 HG3 GLN 13 HG2 GLN 13 22.844 6.822 -2.942
98 HE21 GLN 13 HE21 GLN 13 22.003 6.110 -6.167
99 HE22 GLN 13 HE22 GLN 13 21.431 7.651 -6.610
100 H CYS 14 H CYS 14 22.501 1.961 -3.999
101 HA CYS 14 HA CYS 14 24.135 1.150 -6.122
102 HB2 CYS 14 HB3 CYS 14 23.617 0.124 -3.664
103 HB3 CYS 14 HB2 CYS 14 22.660 -0.981 -4.644
104 H ALA 15 H ALA 15 20.747 1.207 -5.777
105 HA ALA 15 HA ALA 15 20.083 -0.727 -7.744
106 HB1 ALA 15 HB1 ALA 15 17.880 -0.007 -7.425
107 HB2 ALA 15 HB2 ALA 15 18.378 1.648 -7.065
108 HB3 ALA 15 HB3 ALA 15 18.643 0.373 -5.879
109 H SER 16 H SER 16 20.718 2.704 -7.753
110 HA SER 16 HA SER 16 19.939 3.207 -10.428
111 HB2 SER 16 HB3 SER 16 21.076 5.337 -10.169
112 HB3 SER 16 HB2 SER 16 20.186 4.970 -8.693
113 HG SER 16 HG SER 16 22.871 5.227 -9.119
114 H GLY 17 H GLY 17 22.895 2.133 -8.932
115 HA2 GLY 17 HA3 GLY 17 24.270 0.655 -10.434
116 HA3 GLY 17 HA2 GLY 17 24.204 1.972 -11.602
117 H GLY 18 H GLY 18 24.388 3.059 -8.379
118 HA2 GLY 18 HA3 GLY 18 27.173 2.889 -7.896
119 HA3 GLY 18 HA2 GLY 18 26.818 4.413 -8.710
120 H THR 19 H THR 19 27.845 4.453 -6.144
121 HA THR 19 HA THR 19 25.657 5.709 -4.673
122 HB THR 19 HB THR 19 25.868 4.426 -2.717
123 HG1 THR 19 HG1 THR 19 28.055 2.942 -3.549
124 HG21 THR 19 HG21 THR 19 26.445 2.435 -4.947
125 HG22 THR 19 HG22 THR 19 24.849 3.095 -4.592
126 HG23 THR 19 HG23 THR 19 25.666 2.077 -3.413
127 H ILE 20 H ILE 20 26.636 6.637 -2.534
128 HA ILE 20 HA ILE 20 28.742 8.428 -3.292
129 HB ILE 20 HB ILE 20 27.538 7.918 -0.554
130 HG12 ILE 20 HG13 ILE 20 26.760 10.049 -2.558
131 HG13 ILE 20 HG12 ILE 20 25.901 8.517 -2.420
132 HG21 ILE 20 HG21 ILE 20 29.543 9.190 -0.322
133 HG22 ILE 20 HG22 ILE 20 28.230 10.367 -0.287
134 HG23 ILE 20 HG23 ILE 20 29.184 10.153 -1.755
135 HD11 ILE 20 HD11 ILE 20 24.768 10.208 -1.061
136 HD12 ILE 20 HD12 ILE 20 26.271 10.563 -0.209
137 HD13 ILE 20 HD13 ILE 20 25.493 8.991 -0.009
138 H GLY 21 H GLY 21 28.529 5.392 -1.630
139 HA2 GLY 21 HA3 GLY 21 30.810 5.383 -0.052
140 HA3 GLY 21 HA2 GLY 21 30.154 3.958 -0.849
141 H CYS 22 H CYS 22 30.559 5.609 -3.437
142 HA CYS 22 HA CYS 22 32.077 5.425 -5.171
143 HB2 CYS 22 HB3 CYS 22 32.875 7.472 -4.229
144 HB3 CYS 22 HB2 CYS 22 33.705 6.620 -2.928
145 H GLY 23 H GLY 23 32.247 3.226 -5.538
146 HA2 GLY 23 HA3 GLY 23 34.780 2.017 -4.763
147 HA3 GLY 23 HA2 GLY 23 33.336 1.184 -4.199
148 H GLY 24 H GLY 24 32.255 -0.112 -5.561
149 HA2 GLY 24 HA3 GLY 24 33.056 -0.141 -8.426
150 HA3 GLY 24 HA2 GLY 24 32.842 -1.615 -7.490
151 H GLY 25 H GLY 25 30.680 0.839 -6.668
152 HA2 GLY 25 HA3 GLY 25 28.419 1.102 -6.778
153 HA3 GLY 25 HA2 GLY 25 28.644 0.849 -8.504
154 H ALA 26 H ALA 26 29.084 -1.546 -8.972
155 HA ALA 26 HA ALA 26 26.716 -2.960 -8.450
156 HB1 ALA 26 HB1 ALA 26 29.339 -4.216 -9.259
157 HB2 ALA 26 HB2 ALA 26 28.306 -3.342 -10.390
158 HB3 ALA 26 HB3 ALA 26 27.714 -4.805 -9.603
159 H VAL 27 H VAL 27 29.957 -3.171 -7.161
160 HA VAL 27 HA VAL 27 29.460 -5.299 -5.312
161 HB VAL 27 HB VAL 27 31.707 -4.664 -6.222
162 HG11 VAL 27 HG11 VAL 27 32.857 -2.741 -5.400
163 HG12 VAL 27 HG12 VAL 27 31.613 -2.427 -4.192
164 HG13 VAL 27 HG13 VAL 27 31.263 -2.177 -5.899
165 HG21 VAL 27 HG21 VAL 27 31.436 -4.637 -3.199
166 HG22 VAL 27 HG22 VAL 27 32.918 -4.986 -4.080
167 HG23 VAL 27 HG23 VAL 27 31.540 -6.077 -4.209
168 H ALA 28 H ALA 28 28.902 -1.864 -5.192
169 HA ALA 28 HA ALA 28 29.013 -1.456 -2.411
170 HB1 ALA 28 HB1 ALA 28 26.888 0.125 -3.497
171 HB2 ALA 28 HB2 ALA 28 28.151 0.002 -4.715
172 HB3 ALA 28 HB3 ALA 28 28.534 0.633 -3.123
173 H CYS 29 H CYS 29 26.574 -2.978 -4.427
174 HA CYS 29 HA CYS 29 24.396 -2.832 -2.674
175 HB2 CYS 29 HB3 CYS 29 25.134 -5.061 -4.563
176 HB3 CYS 29 HB2 CYS 29 23.565 -4.806 -3.832
177 H GLN 30 H GLN 30 26.845 -5.388 -3.051
178 HA GLN 30 HA GLN 30 25.721 -6.970 -0.944
179 HB2 GLN 30 HB3 GLN 30 27.999 -8.176 -1.007
180 HB3 GLN 30 HB2 GLN 30 27.001 -8.247 -2.453
181 HG2 GLN 30 HG3 GLN 30 29.051 -7.705 -3.384
182 HG3 GLN 30 HG2 GLN 30 28.388 -6.108 -3.146
183 HE21 GLN 30 HE21 GLN 30 30.521 -8.525 -1.585
184 HE22 GLN 30 HE22 GLN 30 31.465 -7.388 -0.753
185 H ASN 31 H ASN 31 28.185 -4.494 -1.029
186 HA ASN 31 HA ASN 31 29.417 -4.842 1.414
187 HB2 ASN 31 HB3 ASN 31 28.575 -2.350 -0.095
188 HB3 ASN 31 HB2 ASN 31 29.455 -2.286 1.416
189 HD21 ASN 31 HD21 ASN 31 29.887 -2.957 -1.999
190 HD22 ASN 31 HD22 ASN 31 31.530 -3.390 -1.904
191 H TYR 32 H TYR 32 26.235 -3.610 0.662
192 HA TYR 32 HA TYR 32 25.517 -2.592 3.176
193 HB2 TYR 32 HB3 TYR 32 24.159 -2.140 1.215
194 HB3 TYR 32 HB2 TYR 32 23.800 -3.858 1.050
195 HD1 TYR 32 HD1 TYR 32 22.551 -5.035 2.825
196 HD2 TYR 32 HD2 TYR 32 22.900 -0.773 2.759
197 HE1 TYR 32 HE1 TYR 32 20.695 -4.902 4.378
198 HE2 TYR 32 HE2 TYR 32 20.996 -0.612 4.341
199 HH TYR 32 HH TYR 32 18.917 -3.163 4.982
200 H ARG 33 H ARG 33 25.132 -5.899 1.872
201 HA ARG 33 HA ARG 33 23.746 -6.939 4.085
202 HB2 ARG 33 HB3 ARG 33 25.622 -8.204 2.085
203 HB3 ARG 33 HB2 ARG 33 24.814 -9.137 3.359
204 HG2 ARG 33 HG3 ARG 33 22.631 -8.612 2.454
205 HG3 ARG 33 HG2 ARG 33 23.290 -7.387 1.377
206 HD2 ARG 33 HD3 ARG 33 22.701 -9.503 0.158
207 HD3 ARG 33 HD2 ARG 33 24.415 -9.105 0.005
208 HE ARG 33 HE ARG 33 23.244 -11.284 1.614
209 HH11 ARG 33 HH21 ARG 33 26.029 -9.452 0.648
210 HH12 ARG 33 HH22 ARG 33 27.154 -10.700 1.064
211 HH21 ARG 33 HH11 ARG 33 24.721 -12.909 2.157
212 HH22 ARG 33 HH12 ARG 33 26.416 -12.652 1.916
213 H GLN 34 H GLN 34 27.146 -6.540 3.371
214 HA GLN 34 HA GLN 34 28.180 -7.933 5.621
215 HB2 GLN 34 HB3 GLN 34 29.434 -5.735 3.998
216 HB3 GLN 34 HB2 GLN 34 30.276 -6.978 4.917
217 HG2 GLN 34 HG3 GLN 34 29.315 -8.718 3.475
218 HG3 GLN 34 HG2 GLN 34 28.444 -7.491 2.562
219 HE21 GLN 34 HE21 GLN 34 29.488 -6.798 0.718
220 HE22 GLN 34 HE22 GLN 34 31.168 -6.865 0.459
221 H PHE 35 H PHE 35 27.632 -4.467 4.959
222 HA PHE 35 HA PHE 35 28.576 -3.740 7.621
223 HB2 PHE 35 HB3 PHE 35 27.534 -2.176 5.267
224 HB3 PHE 35 HB2 PHE 35 27.791 -1.403 6.825
225 HD1 PHE 35 HD1 PHE 35 30.261 -2.276 7.922
226 HD2 PHE 35 HD2 PHE 35 29.297 -1.802 3.740
227 HE1 PHE 35 HE1 PHE 35 32.651 -2.018 7.382
228 HE2 PHE 35 HE2 PHE 35 31.697 -1.557 3.228
229 HZ PHE 35 HZ PHE 35 33.374 -1.661 5.043
230 H CYS 36 H CYS 36 25.534 -3.488 5.770
231 HA CYS 36 HA CYS 36 24.101 -3.177 8.326
232 HB2 CYS 36 HB3 CYS 36 23.627 -2.233 5.526
233 HB3 CYS 36 HB2 CYS 36 22.235 -2.506 6.568
234 H ARG 37 H ARG 37 23.578 -5.162 9.024
235 HA ARG 37 HA ARG 37 22.908 -7.315 7.224
236 HB2 ARG 37 HB3 ARG 37 22.824 -7.042 10.233
237 HB3 ARG 37 HB2 ARG 37 22.350 -8.514 9.383
238 HG2 ARG 37 HG3 ARG 37 24.575 -8.659 8.352
239 HG3 ARG 37 HG2 ARG 37 25.057 -7.165 9.156
240 HD2 ARG 37 HD3 ARG 37 24.707 -8.223 11.351
241 HD3 ARG 37 HD2 ARG 37 24.202 -9.712 10.560
242 HE ARG 37 HE ARG 37 26.808 -8.863 9.702
243 HH11 ARG 37 HH21 ARG 37 25.006 -10.429 12.204
244 HH12 ARG 37 HH22 ARG 37 26.335 -11.401 12.745
245 HH21 ARG 37 HH11 ARG 37 28.557 -10.134 10.402
246 HH22 ARG 37 HH12 ARG 37 28.346 -11.234 11.723
247 H2 BGC 101 H2 GLC 0 37.011 6.198 -6.111
248 H3 BGC 101 H3 GLC 0 37.074 3.514 -4.611
249 H4 BGC 101 H4 GLC 0 38.841 5.984 -4.171
250 H5 BGC 101 H5 GLC 0 36.584 4.871 -2.370
251 H6C1 BGC 101 H61 GLC 0 37.384 6.155 -0.707
252 H6C2 BGC 101 H62 GLC 0 38.841 6.465 -1.676
253 H1 BGC 101 H1 GLC 0 34.929 5.022 -4.136
254 HB BGC 101 HO2 GLC 0 35.108 5.175 -6.944
255 HC BGC 101 HO3 GLC 0 39.040 3.330 -5.491
256 HD BGC 101 HO4 GLC 0 39.977 4.565 -3.136
257 H6 BGC 101 HO6 GLC 0 37.006 8.163 -0.922
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 28.910 3.096 4.748
2 H2 GLY 1 H2 GLY 1 27.245 3.413 4.875
3 H3 GLY 1 H3 GLY 1 28.046 2.550 6.101
4 HA2 GLY 1 HA3 GLY 1 29.500 4.759 6.129
5 HA3 GLY 1 HA2 GLY 1 27.951 5.412 5.592
6 H LEU 2 H LEU 2 26.720 2.984 7.050
7 HA LEU 2 HA LEU 2 25.672 2.618 9.060
8 HB2 LEU 2 HB3 LEU 2 28.172 3.873 10.235
9 HB3 LEU 2 HB2 LEU 2 27.055 2.793 11.062
10 HG LEU 2 HG LEU 2 28.657 2.037 8.601
11 HD11 LEU 2 HD11 LEU 2 30.226 2.364 10.375
12 HD12 LEU 2 HD12 LEU 2 29.935 0.626 10.300
13 HD13 LEU 2 HD13 LEU 2 29.161 1.597 11.553
14 HD21 LEU 2 HD21 LEU 2 26.807 0.572 8.683
15 HD22 LEU 2 HD22 LEU 2 26.778 0.553 10.448
16 HD23 LEU 2 HD23 LEU 2 28.040 -0.314 9.575
17 H GLY 3 H GLY 3 26.199 5.574 7.812
18 HA2 GLY 3 HA3 GLY 3 25.210 7.191 10.022
19 HA3 GLY 3 HA2 GLY 3 25.614 7.756 8.406
20 H LYS 4 H LYS 4 23.303 8.611 9.643
21 HA LYS 4 HA LYS 4 21.023 7.033 9.027
22 HB2 LYS 4 HB3 LYS 4 19.775 9.049 9.501
23 HB3 LYS 4 HB2 LYS 4 21.171 9.091 10.576
24 HG2 LYS 4 HG3 LYS 4 22.342 10.496 8.725
25 HG3 LYS 4 HG2 LYS 4 20.754 10.652 8.006
26 HD2 LYS 4 HD3 LYS 4 20.840 12.568 9.339
27 HD3 LYS 4 HD2 LYS 4 20.013 11.434 10.405
28 HE2 LYS 4 HE3 LYS 4 22.114 10.925 11.544
29 HE3 LYS 4 HE2 LYS 4 23.000 11.951 10.420
30 HZ1 LYS 4 HZ1 LYS 4 22.370 12.953 12.643
31 HZ2 LYS 4 HZ2 LYS 4 20.772 12.989 12.066
32 HZ3 LYS 4 HZ3 LYS 4 21.987 13.863 11.264
33 H ALA 5 H ALA 5 20.056 6.732 7.125
34 HA ALA 5 HA ALA 5 19.437 6.975 4.949
35 HB1 ALA 5 HB1 ALA 5 20.705 9.691 4.814
36 HB2 ALA 5 HB2 ALA 5 19.256 9.453 5.785
37 HB3 ALA 5 HB3 ALA 5 19.222 9.113 4.056
38 H GLN 6 H GLN 6 22.656 7.494 6.046
39 HA GLN 6 HA GLN 6 23.921 7.528 3.543
40 HB2 GLN 6 HB3 GLN 6 24.823 6.877 6.342
41 HB3 GLN 6 HB2 GLN 6 25.894 6.691 4.985
42 HG2 GLN 6 HG3 GLN 6 24.461 9.271 5.647
43 HG3 GLN 6 HG2 GLN 6 26.119 8.917 6.155
44 HE21 GLN 6 HE21 GLN 6 24.633 10.731 3.926
45 HE22 GLN 6 HE22 GLN 6 25.677 10.541 2.602
46 H CYS 7 H CYS 7 23.014 5.147 5.908
47 HA CYS 7 HA CYS 7 24.111 2.905 4.541
48 HB2 CYS 7 HB3 CYS 7 23.302 3.220 7.055
49 HB3 CYS 7 HB2 CYS 7 21.804 2.552 6.410
50 H ALA 8 H ALA 8 20.786 4.131 4.846
51 HA ALA 8 HA ALA 8 19.631 2.190 3.161
52 HB1 ALA 8 HB1 ALA 8 17.830 4.014 2.887
53 HB2 ALA 8 HB2 ALA 8 18.832 4.966 3.985
54 HB3 ALA 8 HB3 ALA 8 18.155 3.430 4.520
55 H ALA 9 H ALA 9 20.920 5.384 2.475
56 HA ALA 9 HA ALA 9 20.217 5.433 -0.265
57 HB1 ALA 9 HB1 ALA 9 21.841 7.253 -0.454
58 HB2 ALA 9 HB2 ALA 9 22.503 6.846 1.129
59 HB3 ALA 9 HB3 ALA 9 20.855 7.460 0.993
60 H LEU 10 H LEU 10 22.918 4.117 1.521
61 HA LEU 10 HA LEU 10 24.667 3.710 -0.649
62 HB2 LEU 10 HB3 LEU 10 25.327 3.627 1.707
63 HB3 LEU 10 HB2 LEU 10 24.336 2.199 1.942
64 HG LEU 10 HG LEU 10 25.720 0.877 0.456
65 HD11 LEU 10 HD11 LEU 10 27.914 1.974 -0.356
66 HD12 LEU 10 HD12 LEU 10 27.101 3.514 -0.093
67 HD13 LEU 10 HD13 LEU 10 26.448 2.355 -1.252
68 HD21 LEU 10 HD21 LEU 10 27.943 1.158 1.711
69 HD22 LEU 10 HD22 LEU 10 26.513 0.919 2.712
70 HD23 LEU 10 HD23 LEU 10 27.198 2.529 2.523
71 H TRP 11 H TRP 11 22.057 1.667 0.716
72 HA TRP 11 HA TRP 11 22.599 -0.438 -1.212
73 HB2 TRP 11 HB3 TRP 11 21.462 -1.591 0.376
74 HB3 TRP 11 HB2 TRP 11 20.991 -0.092 1.165
75 HD1 TRP 11 HD1 TRP 11 18.570 0.653 0.955
76 HE1 TRP 11 HE1 TRP 11 16.463 -0.286 -0.189
77 HE3 TRP 11 HE3 TRP 11 20.724 -2.893 -2.019
78 HZ2 TRP 11 HZ2 TRP 11 15.793 -2.262 -2.151
79 HZ3 TRP 11 HZ3 TRP 11 19.327 -4.279 -3.525
80 HH2 TRP 11 HH2 TRP 11 16.869 -3.965 -3.599
81 H LEU 12 H LEU 12 20.209 2.153 -0.827
82 HA LEU 12 HA LEU 12 18.617 1.481 -3.038
83 HB2 LEU 12 HB3 LEU 12 18.358 3.236 -1.046
84 HB3 LEU 12 HB2 LEU 12 18.966 4.351 -2.252
85 HG LEU 12 HG LEU 12 16.559 4.396 -2.369
86 HD11 LEU 12 HD11 LEU 12 16.244 4.036 -4.661
87 HD12 LEU 12 HD12 LEU 12 17.288 2.619 -4.689
88 HD13 LEU 12 HD13 LEU 12 17.990 4.231 -4.530
89 HD21 LEU 12 HD21 LEU 12 15.156 2.583 -2.233
90 HD22 LEU 12 HD22 LEU 12 16.532 1.856 -1.414
91 HD23 LEU 12 HD23 LEU 12 16.241 1.517 -3.121
92 H GLN 13 H GLN 13 21.428 3.623 -2.736
93 HA GLN 13 HA GLN 13 21.391 4.651 -5.344
94 HB2 GLN 13 HB3 GLN 13 23.593 4.171 -3.341
95 HB3 GLN 13 HB2 GLN 13 23.899 4.907 -4.902
96 HG2 GLN 13 HG3 GLN 13 21.711 5.973 -3.131
97 HG3 GLN 13 HG2 GLN 13 23.379 6.468 -2.881
98 HE21 GLN 13 HE21 GLN 13 22.606 5.706 -6.159
99 HE22 GLN 13 HE22 GLN 13 22.443 7.301 -6.719
100 H CYS 14 H CYS 14 22.804 1.703 -3.992
101 HA CYS 14 HA CYS 14 24.239 0.889 -6.254
102 HB2 CYS 14 HB3 CYS 14 23.988 -0.115 -3.774
103 HB3 CYS 14 HB2 CYS 14 22.890 -1.206 -4.609
104 H ALA 15 H ALA 15 20.961 1.299 -5.921
105 HA ALA 15 HA ALA 15 19.987 -0.801 -7.550
106 HB1 ALA 15 HB1 ALA 15 18.648 0.636 -5.978
107 HB2 ALA 15 HB2 ALA 15 17.943 0.454 -7.588
108 HB3 ALA 15 HB3 ALA 15 18.794 1.938 -7.158
109 H SER 16 H SER 16 21.160 2.443 -8.147
110 HA SER 16 HA SER 16 20.883 2.038 -11.058
111 HB2 SER 16 HB3 SER 16 19.793 4.059 -10.139
112 HB3 SER 16 HB2 SER 16 21.354 4.601 -9.527
113 HG SER 16 HG SER 16 20.439 4.343 -12.175
114 H GLY 17 H GLY 17 23.144 2.788 -8.498
115 HA2 GLY 17 HA3 GLY 17 25.430 1.998 -8.641
116 HA3 GLY 17 HA2 GLY 17 25.398 2.341 -10.371
117 H GLY 18 H GLY 18 24.209 4.347 -7.701
118 HA2 GLY 18 HA3 GLY 18 26.281 6.368 -8.340
119 HA3 GLY 18 HA2 GLY 18 24.597 6.805 -8.147
120 H THR 19 H THR 19 26.851 4.766 -6.314
121 HA THR 19 HA THR 19 25.793 5.726 -3.803
122 HB THR 19 HB THR 19 27.075 4.035 -2.782
123 HG1 THR 19 HG1 THR 19 28.701 3.588 -5.004
124 HG21 THR 19 HG21 THR 19 26.696 3.031 -5.631
125 HG22 THR 19 HG22 THR 19 25.395 3.136 -4.444
126 HG23 THR 19 HG23 THR 19 26.755 2.043 -4.172
127 H ILE 20 H ILE 20 27.437 6.345 -2.085
128 HA ILE 20 HA ILE 20 28.829 8.700 -2.950
129 HB ILE 20 HB ILE 20 28.897 7.286 -0.268
130 HG12 ILE 20 HG13 ILE 20 27.133 9.594 -1.116
131 HG13 ILE 20 HG12 ILE 20 26.590 7.919 -1.157
132 HG21 ILE 20 HG21 ILE 20 29.634 10.064 -1.212
133 HG22 ILE 20 HG22 ILE 20 30.663 8.893 -0.386
134 HG23 ILE 20 HG23 ILE 20 29.350 9.684 0.487
135 HD11 ILE 20 HD11 ILE 20 25.900 8.899 0.959
136 HD12 ILE 20 HD12 ILE 20 27.545 9.447 1.283
137 HD13 ILE 20 HD13 ILE 20 27.175 7.722 1.271
138 H GLY 21 H GLY 21 29.634 5.380 -2.408
139 HA2 GLY 21 HA3 GLY 21 32.399 5.617 -1.896
140 HA3 GLY 21 HA2 GLY 21 31.606 4.198 -2.562
141 H CYS 22 H CYS 22 30.540 5.594 -4.851
142 HA CYS 22 HA CYS 22 31.150 5.771 -7.075
143 HB2 CYS 22 HB3 CYS 22 31.442 8.059 -6.453
144 HB3 CYS 22 HB2 CYS 22 32.987 7.715 -5.679
145 H GLY 23 H GLY 23 31.948 3.683 -7.468
146 HA2 GLY 23 HA3 GLY 23 34.054 3.043 -8.783
147 HA3 GLY 23 HA2 GLY 23 34.877 3.302 -7.250
148 H GLY 24 H GLY 24 33.193 1.099 -9.179
149 HA2 GLY 24 HA3 GLY 24 32.850 -1.172 -8.924
150 HA3 GLY 24 HA2 GLY 24 33.683 -1.069 -7.375
151 H GLY 25 H GLY 25 30.835 0.794 -8.298
152 HA2 GLY 25 HA3 GLY 25 29.435 0.348 -5.926
153 HA3 GLY 25 HA2 GLY 25 28.699 0.855 -7.444
154 H ALA 26 H ALA 26 30.141 -1.953 -8.271
155 HA ALA 26 HA ALA 26 27.700 -3.382 -8.373
156 HB1 ALA 26 HB1 ALA 26 29.206 -5.352 -8.913
157 HB2 ALA 26 HB2 ALA 26 30.573 -4.260 -8.690
158 HB3 ALA 26 HB3 ALA 26 29.396 -3.950 -9.966
159 H VAL 27 H VAL 27 30.551 -3.676 -6.347
160 HA VAL 27 HA VAL 27 29.474 -5.697 -4.673
161 HB VAL 27 HB VAL 27 31.426 -5.165 -3.212
162 HG11 VAL 27 HG11 VAL 27 33.130 -5.832 -5.008
163 HG12 VAL 27 HG12 VAL 27 31.780 -5.763 -6.139
164 HG13 VAL 27 HG13 VAL 27 31.740 -6.895 -4.786
165 HG21 VAL 27 HG21 VAL 27 31.450 -2.681 -4.314
166 HG22 VAL 27 HG22 VAL 27 32.666 -3.460 -5.319
167 HG23 VAL 27 HG23 VAL 27 32.864 -3.411 -3.571
168 H ALA 28 H ALA 28 29.123 -2.252 -4.747
169 HA ALA 28 HA ALA 28 28.714 -1.680 -2.028
170 HB1 ALA 28 HB1 ALA 28 27.047 0.056 -2.982
171 HB2 ALA 28 HB2 ALA 28 27.597 -0.518 -4.543
172 HB3 ALA 28 HB3 ALA 28 28.748 0.191 -3.425
173 H CYS 29 H CYS 29 26.566 -3.268 -4.347
174 HA CYS 29 HA CYS 29 24.212 -3.047 -2.825
175 HB2 CYS 29 HB3 CYS 29 25.117 -5.260 -4.666
176 HB3 CYS 29 HB2 CYS 29 23.494 -5.064 -4.032
177 H GLN 30 H GLN 30 26.610 -5.668 -2.997
178 HA GLN 30 HA GLN 30 25.287 -7.181 -0.986
179 HB2 GLN 30 HB3 GLN 30 27.422 -8.528 -0.899
180 HB3 GLN 30 HB2 GLN 30 26.676 -8.417 -2.488
181 HG2 GLN 30 HG3 GLN 30 28.981 -8.019 -2.853
182 HG3 GLN 30 HG2 GLN 30 28.208 -6.449 -2.921
183 HE21 GLN 30 HE21 GLN 30 28.657 -8.022 0.210
184 HE22 GLN 30 HE22 GLN 30 29.885 -6.990 0.753
185 H ASN 31 H ASN 31 27.890 -4.827 -0.924
186 HA ASN 31 HA ASN 31 28.990 -5.202 1.551
187 HB2 ASN 31 HB3 ASN 31 28.309 -2.696 0.010
188 HB3 ASN 31 HB2 ASN 31 29.106 -2.644 1.567
189 HD21 ASN 31 HD21 ASN 31 29.817 -3.122 -1.793
190 HD22 ASN 31 HD22 ASN 31 31.404 -3.708 -1.595
191 H TYR 32 H TYR 32 25.866 -3.951 0.723
192 HA TYR 32 HA TYR 32 25.112 -2.787 3.149
193 HB2 TYR 32 HB3 TYR 32 23.815 -2.376 1.187
194 HB3 TYR 32 HB2 TYR 32 23.468 -4.096 1.000
195 HD1 TYR 32 HD2 TYR 32 22.050 -5.268 2.589
196 HD2 TYR 32 HD1 TYR 32 22.621 -1.026 2.806
197 HE1 TYR 32 HE2 TYR 32 20.103 -5.099 4.067
198 HE2 TYR 32 HE1 TYR 32 20.659 -0.838 4.298
199 HH TYR 32 HH TYR 32 18.490 -3.490 4.830
200 H ARG 33 H ARG 33 24.616 -6.189 2.085
201 HA ARG 33 HA ARG 33 23.198 -6.967 4.396
202 HB2 ARG 33 HB3 ARG 33 23.798 -8.280 2.143
203 HB3 ARG 33 HB2 ARG 33 25.133 -8.899 3.143
204 HG2 ARG 33 HG3 ARG 33 23.465 -10.493 3.522
205 HG3 ARG 33 HG2 ARG 33 23.271 -9.414 4.897
206 HD2 ARG 33 HD3 ARG 33 21.562 -9.162 2.361
207 HD3 ARG 33 HD2 ARG 33 21.095 -10.130 3.751
208 HE ARG 33 HE ARG 33 21.142 -7.229 3.614
209 HH11 ARG 33 HH21 ARG 33 21.111 -10.088 5.560
210 HH12 ARG 33 HH22 ARG 33 20.451 -9.303 6.954
211 HH21 ARG 33 HH11 ARG 33 20.291 -6.186 5.453
212 HH22 ARG 33 HH12 ARG 33 19.978 -7.098 6.889
213 H GLN 34 H GLN 34 26.610 -6.880 3.629
214 HA GLN 34 HA GLN 34 27.570 -8.064 6.028
215 HB2 GLN 34 HB3 GLN 34 29.302 -6.013 4.759
216 HB3 GLN 34 HB2 GLN 34 29.662 -7.690 5.146
217 HG2 GLN 34 HG3 GLN 34 27.999 -6.729 2.824
218 HG3 GLN 34 HG2 GLN 34 29.644 -7.322 2.721
219 HE21 GLN 34 HE21 GLN 34 27.013 -8.400 1.588
220 HE22 GLN 34 HE22 GLN 34 26.977 -10.020 2.109
221 H PHE 35 H PHE 35 27.137 -4.614 5.162
222 HA PHE 35 HA PHE 35 28.067 -3.791 7.802
223 HB2 PHE 35 HB3 PHE 35 27.091 -2.315 5.367
224 HB3 PHE 35 HB2 PHE 35 27.342 -1.472 6.890
225 HD1 PHE 35 HD2 PHE 35 29.753 -2.284 8.085
226 HD2 PHE 35 HD1 PHE 35 28.901 -2.149 3.855
227 HE1 PHE 35 HE2 PHE 35 32.166 -2.151 7.587
228 HE2 PHE 35 HE1 PHE 35 31.317 -2.020 3.382
229 HZ PHE 35 HZ PHE 35 32.952 -2.019 5.241
230 H CYS 36 H CYS 36 25.040 -3.847 5.973
231 HA CYS 36 HA CYS 36 23.598 -3.012 8.378
232 HB2 CYS 36 HB3 CYS 36 22.526 -3.369 5.577
233 HB3 CYS 36 HB2 CYS 36 21.792 -2.483 6.898
234 H ARG 37 H ARG 37 23.257 -4.735 9.638
235 HA ARG 37 HA ARG 37 22.627 -6.843 10.325
236 HB2 ARG 37 HB3 ARG 37 20.608 -6.105 8.218
237 HB3 ARG 37 HB2 ARG 37 20.511 -7.662 9.036
238 HG2 ARG 37 HG3 ARG 37 19.115 -6.075 10.231
239 HG3 ARG 37 HG2 ARG 37 20.518 -6.443 11.232
240 HD2 ARG 37 HD3 ARG 37 21.579 -4.380 10.669
241 HD3 ARG 37 HD2 ARG 37 20.443 -4.070 9.359
242 HE ARG 37 HE ARG 37 19.161 -4.275 11.932
243 HH11 ARG 37 HH21 ARG 37 20.910 -2.251 9.742
244 HH12 ARG 37 HH22 ARG 37 20.244 -0.773 10.353
245 HH21 ARG 37 HH11 ARG 37 18.277 -2.341 12.742
246 HH22 ARG 37 HH12 ARG 37 18.753 -0.825 12.052
247 H2 BGC 101 H2 GLC 0 34.567 8.155 -9.988
248 H3 BGC 101 H3 GLC 0 36.245 5.862 -8.809
249 H4 BGC 101 H4 GLC 0 36.970 8.836 -9.029
250 H5 BGC 101 H5 GLC 0 36.260 7.197 -6.502
251 H6C1 BGC 101 H61 GLC 0 37.135 8.862 -5.271
252 H6C2 BGC 101 H62 GLC 0 37.825 9.565 -6.750
253 H1 BGC 101 H1 GLC 0 34.098 6.540 -7.382
254 HB BGC 101 HO2 GLC 0 33.025 6.428 -9.984
255 HC BGC 101 HO3 GLC 0 37.579 6.301 -10.452
256 HD BGC 101 HO4 GLC 0 38.871 8.049 -8.658
257 H6 BGC 101 HO6 GLC 0 35.981 10.561 -5.192
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 25.016 1.396 7.815
2 H2 GLY 1 H2 GLY 1 26.697 1.148 7.860
3 H3 GLY 1 H3 GLY 1 25.824 0.823 6.438
4 HA2 GLY 1 HA3 GLY 1 26.809 2.859 5.983
5 HA3 GLY 1 HA2 GLY 1 25.183 3.285 6.507
6 H LEU 2 H LEU 2 26.076 2.289 9.281
7 HA LEU 2 HA LEU 2 26.811 3.253 11.233
8 HB2 LEU 2 HB3 LEU 2 28.800 4.695 9.458
9 HB3 LEU 2 HB2 LEU 2 28.979 4.340 11.169
10 HG LEU 2 HG LEU 2 28.583 2.053 9.238
11 HD11 LEU 2 HD11 LEU 2 31.018 1.923 8.901
12 HD12 LEU 2 HD12 LEU 2 31.223 3.438 9.781
13 HD13 LEU 2 HD13 LEU 2 30.366 3.423 8.240
14 HD21 LEU 2 HD21 LEU 2 30.031 0.910 10.909
15 HD22 LEU 2 HD22 LEU 2 28.580 1.580 11.647
16 HD23 LEU 2 HD23 LEU 2 30.124 2.410 11.830
17 H GLY 3 H GLY 3 25.253 4.817 8.884
18 HA2 GLY 3 HA3 GLY 3 24.761 7.181 10.544
19 HA3 GLY 3 HA2 GLY 3 25.342 7.462 8.910
20 H LYS 4 H LYS 4 22.845 8.301 10.010
21 HA LYS 4 HA LYS 4 20.714 6.609 9.158
22 HB2 LYS 4 HB3 LYS 4 19.310 8.527 9.608
23 HB3 LYS 4 HB2 LYS 4 20.610 8.603 10.794
24 HG2 LYS 4 HG3 LYS 4 21.829 10.201 9.218
25 HG3 LYS 4 HG2 LYS 4 20.386 10.223 8.230
26 HD2 LYS 4 HD3 LYS 4 20.307 12.141 9.696
27 HD3 LYS 4 HD2 LYS 4 19.062 11.003 10.202
28 HE2 LYS 4 HE3 LYS 4 20.232 10.383 12.130
29 HE3 LYS 4 HE2 LYS 4 21.792 10.874 11.469
30 HZ1 LYS 4 HZ1 LYS 4 21.030 13.188 11.593
31 HZ2 LYS 4 HZ2 LYS 4 21.047 12.442 13.121
32 HZ3 LYS 4 HZ3 LYS 4 19.578 12.669 12.299
33 H ALA 5 H ALA 5 19.873 6.399 7.166
34 HA ALA 5 HA ALA 5 19.520 6.724 4.931
35 HB1 ALA 5 HB1 ALA 5 19.330 8.893 4.133
36 HB2 ALA 5 HB2 ALA 5 20.730 9.462 5.042
37 HB3 ALA 5 HB3 ALA 5 19.201 9.168 5.869
38 H GLN 6 H GLN 6 22.578 7.131 6.421
39 HA GLN 6 HA GLN 6 24.101 7.392 4.078
40 HB2 GLN 6 HB3 GLN 6 25.221 7.890 6.169
41 HB3 GLN 6 HB2 GLN 6 24.751 6.347 6.850
42 HG2 GLN 6 HG3 GLN 6 27.174 6.633 6.015
43 HG3 GLN 6 HG2 GLN 6 26.343 5.139 5.608
44 HE21 GLN 6 HE21 GLN 6 27.062 4.639 3.500
45 HE22 GLN 6 HE22 GLN 6 27.072 5.733 2.202
46 H CYS 7 H CYS 7 22.897 4.835 6.101
47 HA CYS 7 HA CYS 7 24.019 2.662 4.644
48 HB2 CYS 7 HB3 CYS 7 22.988 2.875 7.124
49 HB3 CYS 7 HB2 CYS 7 21.589 2.197 6.301
50 H ALA 8 H ALA 8 20.692 3.883 4.867
51 HA ALA 8 HA ALA 8 19.625 2.077 3.009
52 HB1 ALA 8 HB1 ALA 8 17.835 3.891 2.763
53 HB2 ALA 8 HB2 ALA 8 18.795 4.814 3.920
54 HB3 ALA 8 HB3 ALA 8 18.112 3.259 4.386
55 H ALA 9 H ALA 9 20.939 5.304 2.555
56 HA ALA 9 HA ALA 9 20.361 5.467 -0.209
57 HB1 ALA 9 HB1 ALA 9 22.609 6.843 1.269
58 HB2 ALA 9 HB2 ALA 9 20.940 7.415 1.262
59 HB3 ALA 9 HB3 ALA 9 21.859 7.352 -0.241
60 H LEU 10 H LEU 10 22.991 4.124 1.656
61 HA LEU 10 HA LEU 10 24.848 3.813 -0.449
62 HB2 LEU 10 HB3 LEU 10 25.472 3.730 1.883
63 HB3 LEU 10 HB2 LEU 10 24.485 2.304 2.128
64 HG LEU 10 HG LEU 10 25.892 0.958 0.690
65 HD11 LEU 10 HD11 LEU 10 26.619 2.364 -1.063
66 HD12 LEU 10 HD12 LEU 10 28.087 2.097 -0.133
67 HD13 LEU 10 HD13 LEU 10 27.204 3.610 0.046
68 HD21 LEU 10 HD21 LEU 10 26.691 1.105 2.959
69 HD22 LEU 10 HD22 LEU 10 27.379 2.700 2.690
70 HD23 LEU 10 HD23 LEU 10 28.110 1.293 1.937
71 H TRP 11 H TRP 11 22.204 1.742 0.707
72 HA TRP 11 HA TRP 11 22.957 -0.365 -1.143
73 HB2 TRP 11 HB3 TRP 11 21.764 -1.445 0.456
74 HB3 TRP 11 HB2 TRP 11 21.020 0.048 1.007
75 HD1 TRP 11 HD1 TRP 11 18.594 0.368 0.484
76 HE1 TRP 11 HE1 TRP 11 16.826 -0.834 -0.956
77 HE3 TRP 11 HE3 TRP 11 21.631 -2.789 -2.100
78 HZ2 TRP 11 HZ2 TRP 11 16.735 -2.868 -2.977
79 HZ3 TRP 11 HZ3 TRP 11 20.688 -4.347 -3.782
80 HH2 TRP 11 HH2 TRP 11 18.249 -4.385 -4.230
81 H LEU 12 H LEU 12 20.466 2.154 -0.972
82 HA LEU 12 HA LEU 12 19.126 1.457 -3.355
83 HB2 LEU 12 HB3 LEU 12 18.457 3.050 -1.407
84 HB3 LEU 12 HB2 LEU 12 19.301 4.278 -2.328
85 HG LEU 12 HG LEU 12 17.815 3.280 -4.336
86 HD11 LEU 12 HD11 LEU 12 15.904 2.964 -2.016
87 HD12 LEU 12 HD12 LEU 12 16.817 1.590 -2.634
88 HD13 LEU 12 HD13 LEU 12 15.699 2.451 -3.690
89 HD21 LEU 12 HD21 LEU 12 16.947 5.254 -2.210
90 HD22 LEU 12 HD22 LEU 12 16.050 5.008 -3.709
91 HD23 LEU 12 HD23 LEU 12 17.710 5.602 -3.763
92 H GLN 13 H GLN 13 21.728 3.767 -2.722
93 HA GLN 13 HA GLN 13 21.824 4.870 -5.317
94 HB2 GLN 13 HB3 GLN 13 23.933 5.746 -4.654
95 HB3 GLN 13 HB2 GLN 13 22.863 5.864 -3.282
96 HG2 GLN 13 HG3 GLN 13 24.770 4.984 -2.297
97 HG3 GLN 13 HG2 GLN 13 23.907 3.515 -2.704
98 HE21 GLN 13 HE21 GLN 13 25.659 5.622 -5.003
99 HE22 GLN 13 HE22 GLN 13 26.799 4.455 -5.449
100 H CYS 14 H CYS 14 23.242 2.089 -3.830
101 HA CYS 14 HA CYS 14 25.177 1.426 -5.736
102 HB2 CYS 14 HB3 CYS 14 24.836 0.358 -3.446
103 HB3 CYS 14 HB2 CYS 14 23.534 -0.570 -4.176
104 H ALA 15 H ALA 15 21.795 1.302 -5.940
105 HA ALA 15 HA ALA 15 21.473 -0.800 -7.781
106 HB1 ALA 15 HB1 ALA 15 19.288 0.022 -8.042
107 HB2 ALA 15 HB2 ALA 15 19.787 1.686 -7.730
108 HB3 ALA 15 HB3 ALA 15 19.732 0.521 -6.406
109 H SER 16 H SER 16 22.213 2.592 -8.086
110 HA SER 16 HA SER 16 22.600 2.306 -10.998
111 HB2 SER 16 HB3 SER 16 21.080 4.084 -10.592
112 HB3 SER 16 HB2 SER 16 22.033 4.688 -9.240
113 HG SER 16 HG SER 16 22.438 5.944 -11.054
114 H GLY 17 H GLY 17 24.065 3.108 -7.979
115 HA2 GLY 17 HA3 GLY 17 26.275 3.215 -7.329
116 HA3 GLY 17 HA2 GLY 17 26.731 2.760 -8.977
117 H GLY 18 H GLY 18 24.832 5.419 -7.597
118 HA2 GLY 18 HA3 GLY 18 26.360 7.272 -9.297
119 HA3 GLY 18 HA2 GLY 18 24.742 7.545 -8.715
120 H THR 19 H THR 19 25.397 6.849 -5.929
121 HA THR 19 HA THR 19 26.430 9.470 -5.179
122 HB THR 19 HB THR 19 25.725 8.851 -2.936
123 HG1 THR 19 HG1 THR 19 24.669 6.543 -3.129
124 HG21 THR 19 HG21 THR 19 23.893 9.590 -4.356
125 HG22 THR 19 HG22 THR 19 23.309 8.183 -3.464
126 HG23 THR 19 HG23 THR 19 23.798 8.021 -5.150
127 H ILE 20 H ILE 20 27.019 7.317 -2.764
128 HA ILE 20 HA ILE 20 29.851 7.718 -2.712
129 HB ILE 20 HB ILE 20 28.126 5.787 -1.120
130 HG12 ILE 20 HG13 ILE 20 28.937 8.580 -0.290
131 HG13 ILE 20 HG12 ILE 20 27.399 8.255 -1.081
132 HG21 ILE 20 HG21 ILE 20 30.862 7.009 -0.690
133 HG22 ILE 20 HG22 ILE 20 30.460 5.299 -0.846
134 HG23 ILE 20 HG23 ILE 20 29.956 6.196 0.587
135 HD11 ILE 20 HD11 ILE 20 28.318 6.851 1.444
136 HD12 ILE 20 HD12 ILE 20 26.723 6.750 0.694
137 HD13 ILE 20 HD13 ILE 20 27.257 8.260 1.430
138 H GLY 21 H GLY 21 27.649 5.348 -3.995
139 HA2 GLY 21 HA3 GLY 21 29.441 3.133 -4.043
140 HA3 GLY 21 HA2 GLY 21 28.017 3.319 -5.053
141 H CYS 22 H CYS 22 28.297 3.700 -7.132
142 HA CYS 22 HA CYS 22 29.356 3.873 -9.158
143 HB2 CYS 22 HB3 CYS 22 29.191 6.225 -8.559
144 HB3 CYS 22 HB2 CYS 22 30.684 6.117 -7.633
145 H GLY 23 H GLY 23 31.520 3.944 -10.279
146 HA2 GLY 23 HA3 GLY 23 33.470 2.778 -10.709
147 HA3 GLY 23 HA2 GLY 23 33.988 3.485 -9.190
148 H GLY 24 H GLY 24 32.289 0.737 -10.577
149 HA2 GLY 24 HA3 GLY 24 32.318 -1.502 -10.002
150 HA3 GLY 24 HA2 GLY 24 33.642 -1.135 -8.899
151 H GLY 25 H GLY 25 30.755 0.707 -8.608
152 HA2 GLY 25 HA3 GLY 25 30.349 0.100 -5.911
153 HA3 GLY 25 HA2 GLY 25 29.153 0.843 -6.965
154 H ALA 26 H ALA 26 30.040 -2.047 -8.354
155 HA ALA 26 HA ALA 26 27.555 -3.246 -8.000
156 HB1 ALA 26 HB1 ALA 26 30.195 -4.598 -8.574
157 HB2 ALA 26 HB2 ALA 26 29.130 -3.883 -9.783
158 HB3 ALA 26 HB3 ALA 26 28.600 -5.290 -8.863
159 H VAL 27 H VAL 27 30.610 -3.782 -6.340
160 HA VAL 27 HA VAL 27 29.644 -5.795 -4.560
161 HB VAL 27 HB VAL 27 32.034 -5.487 -5.203
162 HG11 VAL 27 HG11 VAL 27 33.353 -3.734 -4.182
163 HG12 VAL 27 HG12 VAL 27 31.955 -3.144 -3.286
164 HG13 VAL 27 HG13 VAL 27 32.008 -2.990 -5.042
165 HG21 VAL 27 HG21 VAL 27 31.365 -6.761 -3.153
166 HG22 VAL 27 HG22 VAL 27 31.552 -5.283 -2.213
167 HG23 VAL 27 HG23 VAL 27 32.949 -6.005 -3.003
168 H ALA 28 H ALA 28 29.477 -2.331 -4.550
169 HA ALA 28 HA ALA 28 29.339 -1.857 -1.789
170 HB1 ALA 28 HB1 ALA 28 27.484 -0.145 -3.195
171 HB2 ALA 28 HB2 ALA 28 28.944 -0.354 -4.143
172 HB3 ALA 28 HB3 ALA 28 29.051 0.263 -2.508
173 H CYS 29 H CYS 29 26.962 -3.204 -4.001
174 HA CYS 29 HA CYS 29 24.674 -2.798 -2.421
175 HB2 CYS 29 HB3 CYS 29 25.328 -5.106 -4.250
176 HB3 CYS 29 HB2 CYS 29 23.746 -4.706 -3.623
177 H GLN 30 H GLN 30 26.901 -5.583 -2.580
178 HA GLN 30 HA GLN 30 25.443 -7.007 -0.601
179 HB2 GLN 30 HB3 GLN 30 27.620 -8.396 -0.374
180 HB3 GLN 30 HB2 GLN 30 26.747 -8.455 -1.895
181 HG2 GLN 30 HG3 GLN 30 28.905 -8.131 -2.656
182 HG3 GLN 30 HG2 GLN 30 28.367 -6.475 -2.551
183 HE21 GLN 30 HE21 GLN 30 30.288 -8.964 -0.877
184 HE22 GLN 30 HE22 GLN 30 31.193 -7.876 0.061
185 H ASN 31 H ASN 31 28.061 -4.721 -0.430
186 HA ASN 31 HA ASN 31 29.026 -5.119 2.126
187 HB2 ASN 31 HB3 ASN 31 28.576 -2.599 0.499
188 HB3 ASN 31 HB2 ASN 31 29.292 -2.578 2.091
189 HD21 ASN 31 HD21 ASN 31 30.005 -3.433 -1.243
190 HD22 ASN 31 HD22 ASN 31 31.589 -3.989 -0.960
191 H TYR 32 H TYR 32 26.002 -3.752 1.094
192 HA TYR 32 HA TYR 32 25.173 -2.495 3.439
193 HB2 TYR 32 HB3 TYR 32 23.912 -2.168 1.440
194 HB3 TYR 32 HB2 TYR 32 23.612 -3.898 1.290
195 HD1 TYR 32 HD1 TYR 32 22.210 -5.072 2.950
196 HD2 TYR 32 HD2 TYR 32 22.530 -0.796 2.871
197 HE1 TYR 32 HE1 TYR 32 20.198 -4.916 4.345
198 HE2 TYR 32 HE2 TYR 32 20.493 -0.620 4.269
199 HH TYR 32 HH TYR 32 18.537 -3.444 5.043
200 H ARG 33 H ARG 33 24.651 -5.922 2.495
201 HA ARG 33 HA ARG 33 23.185 -6.547 4.844
202 HB2 ARG 33 HB3 ARG 33 23.741 -7.910 2.553
203 HB3 ARG 33 HB2 ARG 33 24.867 -8.715 3.655
204 HG2 ARG 33 HG3 ARG 33 22.948 -10.008 3.926
205 HG3 ARG 33 HG2 ARG 33 22.795 -8.860 5.254
206 HD2 ARG 33 HD3 ARG 33 20.634 -8.866 4.238
207 HD3 ARG 33 HD2 ARG 33 21.391 -7.414 3.597
208 HE ARG 33 HE ARG 33 20.929 -9.941 2.144
209 HH11 ARG 33 HH21 ARG 33 22.087 -6.662 2.165
210 HH12 ARG 33 HH22 ARG 33 22.066 -6.512 0.443
211 HH21 ARG 33 HH11 ARG 33 20.931 -9.734 -0.098
212 HH22 ARG 33 HH12 ARG 33 21.418 -8.244 -0.833
213 H GLN 34 H GLN 34 26.575 -6.621 3.999
214 HA GLN 34 HA GLN 34 27.594 -7.905 6.298
215 HB2 GLN 34 HB3 GLN 34 28.907 -5.796 4.606
216 HB3 GLN 34 HB2 GLN 34 29.714 -7.031 5.565
217 HG2 GLN 34 HG3 GLN 34 28.654 -8.788 4.194
218 HG3 GLN 34 HG2 GLN 34 27.876 -7.547 3.219
219 HE21 GLN 34 HE21 GLN 34 28.978 -7.115 1.331
220 HE22 GLN 34 HE22 GLN 34 30.662 -7.247 1.127
221 H PHE 35 H PHE 35 27.126 -4.430 5.591
222 HA PHE 35 HA PHE 35 28.108 -3.710 8.249
223 HB2 PHE 35 HB3 PHE 35 27.112 -2.125 5.889
224 HB3 PHE 35 HB2 PHE 35 27.393 -1.356 7.445
225 HD1 PHE 35 HD2 PHE 35 29.819 -2.219 8.560
226 HD2 PHE 35 HD1 PHE 35 28.899 -1.916 4.355
227 HE1 PHE 35 HE2 PHE 35 32.227 -2.087 8.023
228 HE2 PHE 35 HE1 PHE 35 31.312 -1.795 3.846
229 HZ PHE 35 HZ PHE 35 32.976 -1.879 5.674
230 H CYS 36 H CYS 36 25.092 -3.587 6.388
231 HA CYS 36 HA CYS 36 23.622 -3.006 8.868
232 HB2 CYS 36 HB3 CYS 36 23.289 -2.290 6.035
233 HB3 CYS 36 HB2 CYS 36 21.793 -2.821 6.790
234 H ARG 37 H ARG 37 23.125 -4.821 9.876
235 HA ARG 37 HA ARG 37 22.402 -6.962 10.286
236 HB2 ARG 37 HB3 ARG 37 20.300 -5.762 9.684
237 HB3 ARG 37 HB2 ARG 37 20.517 -6.292 8.016
238 HG2 ARG 37 HG3 ARG 37 20.528 -8.650 8.807
239 HG3 ARG 37 HG2 ARG 37 20.192 -8.081 10.438
240 HD2 ARG 37 HD3 ARG 37 18.433 -7.487 8.046
241 HD3 ARG 37 HD2 ARG 37 18.142 -8.804 9.178
242 HE ARG 37 HE ARG 37 18.404 -6.425 10.653
243 HH11 ARG 37 HH21 ARG 37 16.335 -7.924 8.320
244 HH12 ARG 37 HH22 ARG 37 14.905 -7.111 8.861
245 HH21 ARG 37 HH11 ARG 37 16.535 -5.356 11.370
246 HH22 ARG 37 HH12 ARG 37 15.019 -5.656 10.590
247 H2 BGC 101 H2 GLC 0 32.598 6.582 -11.802
248 H3 BGC 101 H3 GLC 0 34.436 4.581 -10.358
249 H4 BGC 101 H4 GLC 0 34.793 7.613 -10.672
250 H5 BGC 101 H5 GLC 0 34.063 6.001 -8.134
251 H6C1 BGC 101 H61 GLC 0 34.598 7.817 -6.921
252 H6C2 BGC 101 H62 GLC 0 35.330 8.542 -8.370
253 H1 BGC 101 H1 GLC 0 32.096 5.029 -9.165
254 HB BGC 101 HO2 GLC 0 31.296 4.668 -11.842
255 HC BGC 101 HO3 GLC 0 35.852 5.123 -11.899
256 HD BGC 101 HO4 GLC 0 36.736 7.100 -10.093
257 H6 BGC 101 HO6 GLC 0 33.235 9.351 -7.036
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 26.766 4.857 4.751
2 H2 GLY 1 H2 GLY 1 27.225 3.222 4.781
3 H3 GLY 1 H3 GLY 1 27.729 4.225 3.507
4 HA2 GLY 1 HA3 GLY 1 29.519 3.801 5.111
5 HA3 GLY 1 HA2 GLY 1 29.108 5.511 4.977
6 H LEU 2 H LEU 2 27.350 2.903 6.621
7 HA LEU 2 HA LEU 2 26.428 2.864 8.737
8 HB2 LEU 2 HB3 LEU 2 29.306 3.610 9.346
9 HB3 LEU 2 HB2 LEU 2 28.149 3.022 10.539
10 HG LEU 2 HG LEU 2 27.848 1.066 8.691
11 HD11 LEU 2 HD11 LEU 2 29.670 2.305 7.303
12 HD12 LEU 2 HD12 LEU 2 29.816 0.559 7.493
13 HD13 LEU 2 HD13 LEU 2 30.807 1.641 8.472
14 HD21 LEU 2 HD21 LEU 2 30.031 1.276 10.790
15 HD22 LEU 2 HD22 LEU 2 29.582 -0.231 9.992
16 HD23 LEU 2 HD23 LEU 2 28.410 0.614 11.002
17 H GLY 3 H GLY 3 25.266 4.822 7.975
18 HA2 GLY 3 HA3 GLY 3 25.317 6.788 10.081
19 HA3 GLY 3 HA2 GLY 3 25.794 7.448 8.527
20 H LYS 4 H LYS 4 23.593 8.427 9.778
21 HA LYS 4 HA LYS 4 21.149 7.149 9.121
22 HB2 LYS 4 HB3 LYS 4 20.121 9.278 9.690
23 HB3 LYS 4 HB2 LYS 4 21.511 9.110 10.763
24 HG2 LYS 4 HG3 LYS 4 22.847 10.506 9.103
25 HG3 LYS 4 HG2 LYS 4 21.352 10.794 8.240
26 HD2 LYS 4 HD3 LYS 4 20.330 11.818 10.212
27 HD3 LYS 4 HD2 LYS 4 21.788 11.513 11.156
28 HE2 LYS 4 HE3 LYS 4 23.084 12.932 9.589
29 HE3 LYS 4 HE2 LYS 4 21.607 13.261 8.683
30 HZ1 LYS 4 HZ1 LYS 4 21.399 13.726 11.522
31 HZ2 LYS 4 HZ2 LYS 4 20.884 14.689 10.221
32 HZ3 LYS 4 HZ3 LYS 4 22.502 14.745 10.735
33 H ALA 5 H ALA 5 20.152 7.009 7.232
34 HA ALA 5 HA ALA 5 19.562 7.328 5.045
35 HB1 ALA 5 HB1 ALA 5 19.496 9.780 5.939
36 HB2 ALA 5 HB2 ALA 5 19.521 9.505 4.198
37 HB3 ALA 5 HB3 ALA 5 21.000 9.970 5.038
38 H GLN 6 H GLN 6 22.825 7.645 6.142
39 HA GLN 6 HA GLN 6 24.053 7.647 3.615
40 HB2 GLN 6 HB3 GLN 6 24.916 7.150 6.421
41 HB3 GLN 6 HB2 GLN 6 25.959 6.553 5.165
42 HG2 GLN 6 HG3 GLN 6 26.345 8.956 6.161
43 HG3 GLN 6 HG2 GLN 6 26.533 8.716 4.431
44 HE21 GLN 6 HE21 GLN 6 24.647 10.286 6.916
45 HE22 GLN 6 HE22 GLN 6 23.586 11.112 5.881
46 H CYS 7 H CYS 7 23.024 5.291 5.951
47 HA CYS 7 HA CYS 7 24.020 3.006 4.577
48 HB2 CYS 7 HB3 CYS 7 23.145 3.366 7.080
49 HB3 CYS 7 HB2 CYS 7 21.655 2.737 6.383
50 H ALA 8 H ALA 8 20.761 4.418 4.843
51 HA ALA 8 HA ALA 8 19.502 2.583 3.130
52 HB1 ALA 8 HB1 ALA 8 18.929 5.425 3.907
53 HB2 ALA 8 HB2 ALA 8 18.096 3.961 4.423
54 HB3 ALA 8 HB3 ALA 8 17.881 4.562 2.779
55 H ALA 9 H ALA 9 21.010 5.689 2.429
56 HA ALA 9 HA ALA 9 20.401 5.729 -0.327
57 HB1 ALA 9 HB1 ALA 9 22.109 7.455 -0.492
58 HB2 ALA 9 HB2 ALA 9 22.756 7.000 1.084
59 HB3 ALA 9 HB3 ALA 9 21.148 7.715 0.964
60 H LEU 10 H LEU 10 22.993 4.292 1.548
61 HA LEU 10 HA LEU 10 24.760 3.735 -0.567
62 HB2 LEU 10 HB3 LEU 10 25.314 3.654 1.831
63 HB3 LEU 10 HB2 LEU 10 24.284 2.247 2.018
64 HG LEU 10 HG LEU 10 25.704 0.904 0.576
65 HD11 LEU 10 HD11 LEU 10 27.150 3.525 0.107
66 HD12 LEU 10 HD12 LEU 10 26.554 2.368 -1.087
67 HD13 LEU 10 HD13 LEU 10 27.964 1.976 -0.113
68 HD21 LEU 10 HD21 LEU 10 26.394 0.913 2.865
69 HD22 LEU 10 HD22 LEU 10 27.113 2.514 2.727
70 HD23 LEU 10 HD23 LEU 10 27.872 1.141 1.936
71 H TRP 11 H TRP 11 21.986 1.850 0.743
72 HA TRP 11 HA TRP 11 22.445 -0.267 -1.200
73 HB2 TRP 11 HB3 TRP 11 21.172 -1.393 0.300
74 HB3 TRP 11 HB2 TRP 11 20.878 0.102 1.174
75 HD1 TRP 11 HD1 TRP 11 18.576 1.220 0.938
76 HE1 TRP 11 HE1 TRP 11 16.354 0.547 -0.174
77 HE3 TRP 11 HE3 TRP 11 20.220 -2.624 -1.980
78 HZ2 TRP 11 HZ2 TRP 11 15.408 -1.366 -2.083
79 HZ3 TRP 11 HZ3 TRP 11 18.639 -3.852 -3.438
80 HH2 TRP 11 HH2 TRP 11 16.240 -3.226 -3.500
81 H LEU 12 H LEU 12 20.283 2.501 -0.850
82 HA LEU 12 HA LEU 12 18.604 1.962 -3.022
83 HB2 LEU 12 HB3 LEU 12 18.567 3.779 -1.092
84 HB3 LEU 12 HB2 LEU 12 19.323 4.784 -2.311
85 HG LEU 12 HG LEU 12 16.950 5.150 -2.455
86 HD11 LEU 12 HD11 LEU 12 18.339 4.774 -4.598
87 HD12 LEU 12 HD12 LEU 12 16.585 4.754 -4.742
88 HD13 LEU 12 HD13 LEU 12 17.478 3.239 -4.726
89 HD21 LEU 12 HD21 LEU 12 16.578 2.651 -1.448
90 HD22 LEU 12 HD22 LEU 12 16.234 2.333 -3.149
91 HD23 LEU 12 HD23 LEU 12 15.315 3.554 -2.275
92 H GLN 13 H GLN 13 21.617 3.846 -2.852
93 HA GLN 13 HA GLN 13 21.650 4.692 -5.532
94 HB2 GLN 13 HB3 GLN 13 23.824 4.150 -3.507
95 HB3 GLN 13 HB2 GLN 13 24.158 4.787 -5.113
96 HG2 GLN 13 HG3 GLN 13 22.693 6.649 -4.720
97 HG3 GLN 13 HG2 GLN 13 22.245 6.049 -3.149
98 HE21 GLN 13 HE21 GLN 13 24.399 5.521 -1.755
99 HE22 GLN 13 HE22 GLN 13 25.547 6.774 -1.765
100 H CYS 14 H CYS 14 22.839 1.814 -3.927
101 HA CYS 14 HA CYS 14 24.176 0.657 -6.095
102 HB2 CYS 14 HB3 CYS 14 23.829 -0.074 -3.510
103 HB3 CYS 14 HB2 CYS 14 22.719 -1.199 -4.280
104 H ALA 15 H ALA 15 21.027 1.470 -5.967
105 HA ALA 15 HA ALA 15 19.768 -0.737 -7.227
106 HB1 ALA 15 HB1 ALA 15 18.533 1.021 -6.023
107 HB2 ALA 15 HB2 ALA 15 17.969 0.863 -7.690
108 HB3 ALA 15 HB3 ALA 15 19.038 2.192 -7.241
109 H SER 16 H SER 16 21.430 2.132 -8.327
110 HA SER 16 HA SER 16 21.062 1.328 -11.139
111 HB2 SER 16 HB3 SER 16 21.322 3.559 -11.735
112 HB3 SER 16 HB2 SER 16 20.543 3.709 -10.160
113 HG SER 16 HG SER 16 22.280 4.638 -9.462
114 H GLY 17 H GLY 17 23.393 1.600 -8.622
115 HA2 GLY 17 HA3 GLY 17 25.442 0.276 -8.867
116 HA3 GLY 17 HA2 GLY 17 25.565 0.886 -10.517
117 H GLY 18 H GLY 18 24.874 2.482 -7.404
118 HA2 GLY 18 HA3 GLY 18 27.293 4.133 -7.738
119 HA3 GLY 18 HA2 GLY 18 25.735 4.901 -7.476
120 H THR 19 H THR 19 27.672 5.455 -5.719
121 HA THR 19 HA THR 19 26.637 4.349 -3.235
122 HB THR 19 HB THR 19 28.612 3.417 -2.408
123 HG1 THR 19 HG1 THR 19 30.445 4.289 -4.205
124 HG21 THR 19 HG21 THR 19 27.943 2.060 -4.381
125 HG22 THR 19 HG22 THR 19 29.696 2.063 -4.192
126 HG23 THR 19 HG23 THR 19 28.945 3.076 -5.421
127 H ILE 20 H ILE 20 28.298 5.433 -1.439
128 HA ILE 20 HA ILE 20 27.765 8.243 -1.627
129 HB ILE 20 HB ILE 20 29.482 6.723 0.359
130 HG12 ILE 20 HG13 ILE 20 26.569 7.518 0.598
131 HG13 ILE 20 HG12 ILE 20 27.095 5.907 0.120
132 HG21 ILE 20 HG21 ILE 20 28.911 8.654 1.832
133 HG22 ILE 20 HG22 ILE 20 28.118 9.430 0.460
134 HG23 ILE 20 HG23 ILE 20 29.857 9.132 0.422
135 HD11 ILE 20 HD11 ILE 20 27.870 7.282 2.713
136 HD12 ILE 20 HD12 ILE 20 28.309 5.643 2.233
137 HD13 ILE 20 HD13 ILE 20 26.623 6.044 2.559
138 H GLY 21 H GLY 21 30.642 6.176 -1.785
139 HA2 GLY 21 HA3 GLY 21 32.364 8.472 -2.355
140 HA3 GLY 21 HA2 GLY 21 32.889 6.817 -2.088
141 H CYS 22 H CYS 22 30.412 6.435 -4.144
142 HA CYS 22 HA CYS 22 30.278 5.862 -6.361
143 HB2 CYS 22 HB3 CYS 22 30.170 8.213 -6.741
144 HB3 CYS 22 HB2 CYS 22 31.901 8.402 -6.475
145 H GLY 23 H GLY 23 31.235 4.042 -7.026
146 HA2 GLY 23 HA3 GLY 23 33.508 3.782 -8.460
147 HA3 GLY 23 HA2 GLY 23 34.098 3.652 -6.809
148 H GLY 24 H GLY 24 32.536 2.070 -9.386
149 HA2 GLY 24 HA3 GLY 24 31.762 -0.079 -9.702
150 HA3 GLY 24 HA2 GLY 24 32.941 -0.518 -8.469
151 H GLY 25 H GLY 25 29.833 1.248 -8.497
152 HA2 GLY 25 HA3 GLY 25 29.040 0.535 -5.922
153 HA3 GLY 25 HA2 GLY 25 27.941 0.999 -7.214
154 H ALA 26 H ALA 26 29.558 -1.580 -8.439
155 HA ALA 26 HA ALA 26 27.342 -3.295 -8.304
156 HB1 ALA 26 HB1 ALA 26 30.245 -3.905 -8.868
157 HB2 ALA 26 HB2 ALA 26 28.988 -3.556 -10.055
158 HB3 ALA 26 HB3 ALA 26 28.926 -5.049 -9.118
159 H VAL 27 H VAL 27 30.396 -3.351 -6.544
160 HA VAL 27 HA VAL 27 29.680 -5.578 -4.883
161 HB VAL 27 HB VAL 27 32.023 -4.950 -5.511
162 HG11 VAL 27 HG11 VAL 27 33.134 -3.140 -4.352
163 HG12 VAL 27 HG12 VAL 27 31.677 -2.776 -3.432
164 HG13 VAL 27 HG13 VAL 27 31.714 -2.494 -5.165
165 HG21 VAL 27 HG21 VAL 27 31.541 -6.450 -3.588
166 HG22 VAL 27 HG22 VAL 27 31.480 -5.045 -2.530
167 HG23 VAL 27 HG23 VAL 27 32.989 -5.481 -3.320
168 H ALA 28 H ALA 28 29.081 -2.176 -4.752
169 HA ALA 28 HA ALA 28 28.887 -1.829 -1.965
170 HB1 ALA 28 HB1 ALA 28 27.669 -0.464 -4.323
171 HB2 ALA 28 HB2 ALA 28 28.773 0.182 -3.125
172 HB3 ALA 28 HB3 ALA 28 27.075 -0.070 -2.723
173 H CYS 29 H CYS 29 26.720 -3.388 -4.255
174 HA CYS 29 HA CYS 29 24.368 -3.267 -2.752
175 HB2 CYS 29 HB3 CYS 29 25.352 -5.483 -4.550
176 HB3 CYS 29 HB2 CYS 29 23.711 -5.284 -3.971
177 H GLN 30 H GLN 30 26.878 -5.786 -2.881
178 HA GLN 30 HA GLN 30 25.562 -7.356 -0.912
179 HB2 GLN 30 HB3 GLN 30 27.848 -8.539 -0.702
180 HB3 GLN 30 HB2 GLN 30 27.001 -8.641 -2.238
181 HG2 GLN 30 HG3 GLN 30 29.122 -8.082 -2.980
182 HG3 GLN 30 HG2 GLN 30 28.440 -6.482 -2.802
183 HE21 GLN 30 HE21 GLN 30 30.440 -8.902 -1.074
184 HE22 GLN 30 HE22 GLN 30 31.289 -7.765 -0.141
185 H ASN 31 H ASN 31 27.990 -4.861 -0.728
186 HA ASN 31 HA ASN 31 28.964 -5.189 1.833
187 HB2 ASN 31 HB3 ASN 31 28.348 -2.713 0.196
188 HB3 ASN 31 HB2 ASN 31 29.052 -2.634 1.796
189 HD21 ASN 31 HD21 ASN 31 29.886 -3.312 -1.522
190 HD22 ASN 31 HD22 ASN 31 31.486 -3.812 -1.226
191 H TYR 32 H TYR 32 25.882 -3.927 0.783
192 HA TYR 32 HA TYR 32 24.996 -2.759 3.151
193 HB2 TYR 32 HB3 TYR 32 23.766 -2.412 1.138
194 HB3 TYR 32 HB2 TYR 32 23.513 -4.145 0.939
195 HD1 TYR 32 HD2 TYR 32 22.104 -5.402 2.493
196 HD2 TYR 32 HD1 TYR 32 22.354 -1.115 2.619
197 HE1 TYR 32 HE2 TYR 32 20.071 -5.339 3.860
198 HE2 TYR 32 HE1 TYR 32 20.299 -1.033 3.988
199 HH TYR 32 HH TYR 32 19.122 -2.763 5.644
200 H ARG 33 H ARG 33 24.589 -6.155 2.106
201 HA ARG 33 HA ARG 33 23.067 -6.960 4.343
202 HB2 ARG 33 HB3 ARG 33 23.596 -8.208 2.132
203 HB3 ARG 33 HB2 ARG 33 25.071 -8.737 2.967
204 HG2 ARG 33 HG3 ARG 33 23.829 -9.878 4.663
205 HG3 ARG 33 HG2 ARG 33 22.308 -9.119 4.185
206 HD2 ARG 33 HD3 ARG 33 22.418 -11.481 3.378
207 HD3 ARG 33 HD2 ARG 33 22.351 -10.358 2.017
208 HE ARG 33 HE ARG 33 24.670 -11.954 2.865
209 HH11 ARG 33 HH21 ARG 33 23.355 -9.454 0.848
210 HH12 ARG 33 HH22 ARG 33 24.643 -9.527 -0.307
211 HH21 ARG 33 HH11 ARG 33 26.362 -12.027 1.361
212 HH22 ARG 33 HH12 ARG 33 26.341 -10.978 -0.016
213 H GLN 34 H GLN 34 26.502 -6.915 3.682
214 HA GLN 34 HA GLN 34 27.445 -8.181 6.016
215 HB2 GLN 34 HB3 GLN 34 28.778 -6.028 4.392
216 HB3 GLN 34 HB2 GLN 34 29.575 -7.254 5.370
217 HG2 GLN 34 HG3 GLN 34 28.673 -9.020 3.930
218 HG3 GLN 34 HG2 GLN 34 27.828 -7.820 2.963
219 HE21 GLN 34 HE21 GLN 34 28.932 -7.233 1.110
220 HE22 GLN 34 HE22 GLN 34 30.622 -7.268 0.929
221 H PHE 35 H PHE 35 26.936 -4.732 5.258
222 HA PHE 35 HA PHE 35 27.759 -3.973 7.967
223 HB2 PHE 35 HB3 PHE 35 26.925 -2.397 5.537
224 HB3 PHE 35 HB2 PHE 35 27.155 -1.625 7.101
225 HD1 PHE 35 HD2 PHE 35 29.528 -2.618 8.309
226 HD2 PHE 35 HD1 PHE 35 28.765 -2.154 4.082
227 HE1 PHE 35 HE2 PHE 35 31.951 -2.534 7.862
228 HE2 PHE 35 HE1 PHE 35 31.197 -2.080 3.666
229 HZ PHE 35 HZ PHE 35 32.790 -2.269 5.550
230 H CYS 36 H CYS 36 24.863 -3.593 5.908
231 HA CYS 36 HA CYS 36 23.264 -3.264 8.361
232 HB2 CYS 36 HB3 CYS 36 23.091 -2.166 5.593
233 HB3 CYS 36 HB2 CYS 36 21.577 -2.470 6.432
234 H ARG 37 H ARG 37 22.576 -5.214 8.967
235 HA ARG 37 HA ARG 37 21.860 -7.261 7.025
236 HB2 ARG 37 HB3 ARG 37 21.838 -7.174 10.047
237 HB3 ARG 37 HB2 ARG 37 21.307 -8.573 9.113
238 HG2 ARG 37 HG3 ARG 37 23.510 -8.719 8.039
239 HG3 ARG 37 HG2 ARG 37 24.049 -7.290 8.922
240 HD2 ARG 37 HD3 ARG 37 23.692 -8.472 11.057
241 HD3 ARG 37 HD2 ARG 37 23.152 -9.899 10.179
242 HE ARG 37 HE ARG 37 25.759 -9.050 9.335
243 HH11 ARG 37 HH21 ARG 37 23.979 -10.712 11.795
244 HH12 ARG 37 HH22 ARG 37 25.304 -11.723 12.264
245 HH21 ARG 37 HH11 ARG 37 27.501 -10.376 9.945
246 HH22 ARG 37 HH12 ARG 37 27.297 -11.534 11.217
247 H2 BGC 101 H2 GLC 0 32.113 7.204 -10.923
248 H3 BGC 101 H3 GLC 0 34.550 5.817 -9.660
249 H4 BGC 101 H4 GLC 0 34.445 8.496 -11.152
250 H5 BGC 101 H5 GLC 0 34.859 7.977 -8.129
251 H6C1 BGC 101 H61 GLC 0 35.599 10.092 -7.947
252 H6C2 BGC 101 H62 GLC 0 35.675 10.196 -9.720
253 H1 BGC 101 H1 GLC 0 32.767 6.767 -7.922
254 HB BGC 101 HO2 GLC 0 31.096 5.465 -9.780
255 HC BGC 101 HO3 GLC 0 35.247 5.690 -11.702
256 HD BGC 101 HO4 GLC 0 36.508 8.161 -11.201
257 H6 BGC 101 HO6 GLC 0 34.131 11.524 -8.085
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 26.107 1.622 7.214
2 H2 GLY 1 H2 GLY 1 27.649 1.426 6.529
3 H3 GLY 1 H3 GLY 1 26.261 1.272 5.562
4 HA2 GLY 1 HA3 GLY 1 27.384 3.403 5.212
5 HA3 GLY 1 HA2 GLY 1 25.745 3.591 5.831
6 H LEU 2 H LEU 2 26.829 2.454 8.464
7 HA LEU 2 HA LEU 2 27.293 3.426 10.504
8 HB2 LEU 2 HB3 LEU 2 29.600 4.707 9.028
9 HB3 LEU 2 HB2 LEU 2 29.555 4.157 10.701
10 HG LEU 2 HG LEU 2 28.892 1.848 9.216
11 HD11 LEU 2 HD11 LEU 2 29.721 3.203 7.198
12 HD12 LEU 2 HD12 LEU 2 30.468 1.627 7.450
13 HD13 LEU 2 HD13 LEU 2 31.324 3.094 7.922
14 HD21 LEU 2 HD21 LEU 2 31.523 2.780 10.408
15 HD22 LEU 2 HD22 LEU 2 31.248 1.138 9.826
16 HD23 LEU 2 HD23 LEU 2 30.299 1.766 11.173
17 H GLY 3 H GLY 3 25.801 5.019 8.375
18 HA2 GLY 3 HA3 GLY 3 25.720 7.530 9.878
19 HA3 GLY 3 HA2 GLY 3 26.128 7.648 8.174
20 H LYS 4 H LYS 4 23.820 8.653 9.652
21 HA LYS 4 HA LYS 4 21.508 7.107 9.070
22 HB2 LYS 4 HB3 LYS 4 20.266 9.096 9.681
23 HB3 LYS 4 HB2 LYS 4 21.704 9.110 10.703
24 HG2 LYS 4 HG3 LYS 4 22.798 10.653 9.000
25 HG3 LYS 4 HG2 LYS 4 21.255 10.737 8.172
26 HD2 LYS 4 HD3 LYS 4 20.160 11.635 10.183
27 HD3 LYS 4 HD2 LYS 4 21.680 11.550 11.074
28 HE2 LYS 4 HE3 LYS 4 22.708 13.114 9.456
29 HE3 LYS 4 HE2 LYS 4 21.176 13.213 8.587
30 HZ1 LYS 4 HZ1 LYS 4 21.798 14.945 10.430
31 HZ2 LYS 4 HZ2 LYS 4 21.181 13.750 11.467
32 HZ3 LYS 4 HZ3 LYS 4 20.200 14.406 10.245
33 H ALA 5 H ALA 5 20.416 6.914 7.201
34 HA ALA 5 HA ALA 5 19.746 7.236 5.033
35 HB1 ALA 5 HB1 ALA 5 19.580 9.414 4.215
36 HB2 ALA 5 HB2 ALA 5 21.075 9.934 4.989
37 HB3 ALA 5 HB3 ALA 5 19.622 9.681 5.957
38 H GLN 6 H GLN 6 23.019 7.608 6.048
39 HA GLN 6 HA GLN 6 24.180 7.788 3.509
40 HB2 GLN 6 HB3 GLN 6 25.574 8.354 5.374
41 HB3 GLN 6 HB2 GLN 6 25.176 6.864 6.206
42 HG2 GLN 6 HG3 GLN 6 27.482 7.044 5.090
43 HG3 GLN 6 HG2 GLN 6 26.582 5.556 4.826
44 HE21 GLN 6 HE21 GLN 6 26.676 8.853 3.291
45 HE22 GLN 6 HE22 GLN 6 26.734 8.258 1.702
46 H CYS 7 H CYS 7 23.276 5.255 5.724
47 HA CYS 7 HA CYS 7 24.246 3.067 4.172
48 HB2 CYS 7 HB3 CYS 7 23.494 3.284 6.746
49 HB3 CYS 7 HB2 CYS 7 22.000 2.620 6.088
50 H ALA 8 H ALA 8 20.982 4.369 4.700
51 HA ALA 8 HA ALA 8 19.668 2.572 3.006
52 HB1 ALA 8 HB1 ALA 8 18.311 3.902 4.409
53 HB2 ALA 8 HB2 ALA 8 17.979 4.500 2.784
54 HB3 ALA 8 HB3 ALA 8 19.065 5.393 3.850
55 H ALA 9 H ALA 9 21.009 5.747 2.282
56 HA ALA 9 HA ALA 9 20.268 5.790 -0.439
57 HB1 ALA 9 HB1 ALA 9 22.508 7.199 1.027
58 HB2 ALA 9 HB2 ALA 9 20.901 7.837 0.678
59 HB3 ALA 9 HB3 ALA 9 22.039 7.545 -0.638
60 H LEU 10 H LEU 10 23.013 4.453 1.272
61 HA LEU 10 HA LEU 10 24.671 4.000 -0.964
62 HB2 LEU 10 HB3 LEU 10 25.408 3.927 1.388
63 HB3 LEU 10 HB2 LEU 10 24.437 2.484 1.633
64 HG LEU 10 HG LEU 10 25.775 1.206 0.053
65 HD11 LEU 10 HD11 LEU 10 27.117 3.866 -0.462
66 HD12 LEU 10 HD12 LEU 10 26.468 2.711 -1.631
67 HD13 LEU 10 HD13 LEU 10 27.952 2.342 -0.767
68 HD21 LEU 10 HD21 LEU 10 26.649 1.144 2.265
69 HD22 LEU 10 HD22 LEU 10 27.272 2.786 2.161
70 HD23 LEU 10 HD23 LEU 10 28.047 1.493 1.255
71 H TRP 11 H TRP 11 22.133 2.000 0.578
72 HA TRP 11 HA TRP 11 22.550 -0.140 -1.333
73 HB2 TRP 11 HB3 TRP 11 21.505 -1.261 0.338
74 HB3 TRP 11 HB2 TRP 11 21.108 0.255 1.138
75 HD1 TRP 11 HD1 TRP 11 18.684 1.062 1.037
76 HE1 TRP 11 HE1 TRP 11 16.508 0.148 0.009
77 HE3 TRP 11 HE3 TRP 11 20.630 -2.594 -1.930
78 HZ2 TRP 11 HZ2 TRP 11 15.713 -1.857 -1.887
79 HZ3 TRP 11 HZ3 TRP 11 19.148 -3.977 -3.354
80 HH2 TRP 11 HH2 TRP 11 16.696 -3.611 -3.340
81 H LEU 12 H LEU 12 20.207 2.471 -0.844
82 HA LEU 12 HA LEU 12 18.449 1.771 -2.918
83 HB2 LEU 12 HB3 LEU 12 18.327 3.587 -1.000
84 HB3 LEU 12 HB2 LEU 12 18.953 4.652 -2.246
85 HG LEU 12 HG LEU 12 16.462 2.938 -2.506
86 HD11 LEU 12 HD11 LEU 12 16.873 5.885 -1.950
87 HD12 LEU 12 HD12 LEU 12 16.010 4.711 -0.958
88 HD13 LEU 12 HD13 LEU 12 15.338 5.220 -2.507
89 HD21 LEU 12 HD21 LEU 12 16.206 4.664 -4.510
90 HD22 LEU 12 HD22 LEU 12 17.168 3.205 -4.709
91 HD23 LEU 12 HD23 LEU 12 17.965 4.746 -4.388
92 H GLN 13 H GLN 13 21.306 3.883 -2.901
93 HA GLN 13 HA GLN 13 21.097 4.768 -5.557
94 HB2 GLN 13 HB3 GLN 13 23.435 4.398 -3.686
95 HB3 GLN 13 HB2 GLN 13 23.622 5.058 -5.303
96 HG2 GLN 13 HG3 GLN 13 21.565 6.199 -3.421
97 HG3 GLN 13 HG2 GLN 13 23.245 6.712 -3.328
98 HE21 GLN 13 HE21 GLN 13 22.240 5.795 -6.499
99 HE22 GLN 13 HE22 GLN 13 22.015 7.362 -7.118
100 H CYS 14 H CYS 14 22.568 1.878 -4.144
101 HA CYS 14 HA CYS 14 23.816 0.944 -6.490
102 HB2 CYS 14 HB3 CYS 14 23.826 0.119 -3.908
103 HB3 CYS 14 HB2 CYS 14 22.739 -1.082 -4.589
104 H ALA 15 H ALA 15 20.657 1.504 -6.038
105 HA ALA 15 HA ALA 15 19.411 -0.780 -7.135
106 HB1 ALA 15 HB1 ALA 15 17.511 0.742 -7.521
107 HB2 ALA 15 HB2 ALA 15 18.555 2.111 -7.144
108 HB3 ALA 15 HB3 ALA 15 18.178 0.922 -5.897
109 H SER 16 H SER 16 20.788 2.127 -8.515
110 HA SER 16 HA SER 16 20.196 1.154 -11.231
111 HB2 SER 16 HB3 SER 16 19.468 3.454 -10.706
112 HB3 SER 16 HB2 SER 16 21.135 3.884 -10.335
113 HG SER 16 HG SER 16 20.774 2.625 -12.757
114 H GLY 17 H GLY 17 22.772 1.902 -9.023
115 HA2 GLY 17 HA3 GLY 17 24.819 0.497 -9.469
116 HA3 GLY 17 HA2 GLY 17 24.783 1.186 -11.091
117 H GLY 18 H GLY 18 24.290 2.628 -7.869
118 HA2 GLY 18 HA3 GLY 18 26.688 4.287 -8.245
119 HA3 GLY 18 HA2 GLY 18 25.140 5.089 -8.002
120 H THR 19 H THR 19 27.389 5.322 -6.300
121 HA THR 19 HA THR 19 26.151 4.633 -3.781
122 HB THR 19 HB THR 19 27.304 2.593 -3.933
123 HG1 THR 19 HG1 THR 19 29.202 2.947 -2.545
124 HG21 THR 19 HG21 THR 19 29.641 2.394 -4.768
125 HG22 THR 19 HG22 THR 19 29.680 4.126 -5.071
126 HG23 THR 19 HG23 THR 19 28.583 3.100 -5.991
127 H ILE 20 H ILE 20 26.905 5.880 -2.056
128 HA ILE 20 HA ILE 20 28.054 8.425 -2.747
129 HB ILE 20 HB ILE 20 27.491 7.216 -0.019
130 HG12 ILE 20 HG13 ILE 20 25.784 9.079 -1.695
131 HG13 ILE 20 HG12 ILE 20 25.522 7.340 -1.596
132 HG21 ILE 20 HG21 ILE 20 27.368 9.644 0.627
133 HG22 ILE 20 HG22 ILE 20 27.973 10.052 -0.978
134 HG23 ILE 20 HG23 ILE 20 28.980 9.126 0.135
135 HD11 ILE 20 HD11 ILE 20 24.072 8.599 -0.012
136 HD12 ILE 20 HD12 ILE 20 25.517 9.226 0.781
137 HD13 ILE 20 HD13 ILE 20 25.168 7.497 0.822
138 H GLY 21 H GLY 21 29.147 5.465 -1.165
139 HA2 GLY 21 HA3 GLY 21 31.633 6.458 -0.231
140 HA3 GLY 21 HA2 GLY 21 31.221 4.764 -0.449
141 H CYS 22 H CYS 22 30.533 5.717 -3.349
142 HA CYS 22 HA CYS 22 31.558 5.483 -5.395
143 HB2 CYS 22 HB3 CYS 22 32.285 7.723 -5.017
144 HB3 CYS 22 HB2 CYS 22 33.532 7.195 -3.890
145 H GLY 23 H GLY 23 32.107 3.433 -5.855
146 HA2 GLY 23 HA3 GLY 23 34.631 2.479 -6.092
147 HA3 GLY 23 HA2 GLY 23 34.211 2.040 -4.442
148 H GLY 24 H GLY 24 33.817 1.314 -7.757
149 HA2 GLY 24 HA3 GLY 24 32.594 -0.284 -8.909
150 HA3 GLY 24 HA2 GLY 24 33.082 -1.301 -7.557
151 H GLY 25 H GLY 25 30.621 1.113 -8.469
152 HA2 GLY 25 HA3 GLY 25 28.774 0.804 -6.480
153 HA3 GLY 25 HA2 GLY 25 28.328 1.059 -8.164
154 H ALA 26 H ALA 26 29.780 -1.639 -8.719
155 HA ALA 26 HA ALA 26 27.427 -3.215 -8.702
156 HB1 ALA 26 HB1 ALA 26 30.275 -4.203 -8.908
157 HB2 ALA 26 HB2 ALA 26 29.378 -3.511 -10.260
158 HB3 ALA 26 HB3 ALA 26 28.825 -5.007 -9.507
159 H VAL 27 H VAL 27 30.371 -3.328 -6.786
160 HA VAL 27 HA VAL 27 29.435 -5.360 -5.039
161 HB VAL 27 HB VAL 27 31.426 -4.786 -3.678
162 HG11 VAL 27 HG11 VAL 27 31.674 -5.368 -6.616
163 HG12 VAL 27 HG12 VAL 27 31.780 -6.486 -5.255
164 HG13 VAL 27 HG13 VAL 27 33.091 -5.353 -5.567
165 HG21 VAL 27 HG21 VAL 27 32.405 -2.958 -5.846
166 HG22 VAL 27 HG22 VAL 27 32.894 -3.060 -4.157
167 HG23 VAL 27 HG23 VAL 27 31.370 -2.303 -4.581
168 H ALA 28 H ALA 28 28.960 -1.933 -5.154
169 HA ALA 28 HA ALA 28 28.661 -1.312 -2.431
170 HB1 ALA 28 HB1 ALA 28 28.572 0.510 -3.891
171 HB2 ALA 28 HB2 ALA 28 26.901 0.343 -3.356
172 HB3 ALA 28 HB3 ALA 28 27.386 -0.269 -4.923
173 H CYS 29 H CYS 29 26.475 -3.034 -4.603
174 HA CYS 29 HA CYS 29 24.188 -2.857 -2.974
175 HB2 CYS 29 HB3 CYS 29 25.081 -5.048 -4.845
176 HB3 CYS 29 HB2 CYS 29 23.486 -4.914 -4.134
177 H GLN 30 H GLN 30 26.649 -5.417 -3.228
178 HA GLN 30 HA GLN 30 25.484 -6.939 -1.113
179 HB2 GLN 30 HB3 GLN 30 27.634 -8.243 -1.166
180 HB3 GLN 30 HB2 GLN 30 26.812 -8.138 -2.718
181 HG2 GLN 30 HG3 GLN 30 29.094 -7.695 -3.184
182 HG3 GLN 30 HG2 GLN 30 28.287 -6.141 -3.214
183 HE21 GLN 30 HE21 GLN 30 28.929 -7.731 -0.121
184 HE22 GLN 30 HE22 GLN 30 30.155 -6.670 0.372
185 H ASN 31 H ASN 31 27.998 -4.503 -1.241
186 HA ASN 31 HA ASN 31 29.240 -4.830 1.177
187 HB2 ASN 31 HB3 ASN 31 28.439 -2.367 -0.371
188 HB3 ASN 31 HB2 ASN 31 29.299 -2.272 1.152
189 HD21 ASN 31 HD21 ASN 31 29.896 -2.786 -2.225
190 HD22 ASN 31 HD22 ASN 31 31.494 -3.354 -2.073
191 H TYR 32 H TYR 32 26.039 -3.648 0.509
192 HA TYR 32 HA TYR 32 25.410 -2.488 2.981
193 HB2 TYR 32 HB3 TYR 32 23.978 -2.140 1.073
194 HB3 TYR 32 HB2 TYR 32 23.640 -3.869 0.966
195 HD1 TYR 32 HD2 TYR 32 22.457 -5.005 2.845
196 HD2 TYR 32 HD1 TYR 32 22.754 -0.740 2.594
197 HE1 TYR 32 HE2 TYR 32 20.640 -4.814 4.455
198 HE2 TYR 32 HE1 TYR 32 20.903 -0.523 4.218
199 HH TYR 32 HH TYR 32 19.674 -1.676 5.787
200 H ARG 33 H ARG 33 24.915 -5.868 1.905
201 HA ARG 33 HA ARG 33 23.654 -6.745 4.260
202 HB2 ARG 33 HB3 ARG 33 24.713 -7.942 1.860
203 HB3 ARG 33 HB2 ARG 33 25.291 -8.885 3.229
204 HG2 ARG 33 HG3 ARG 33 23.175 -9.802 2.452
205 HG3 ARG 33 HG2 ARG 33 22.963 -9.105 4.057
206 HD2 ARG 33 HD3 ARG 33 21.240 -8.562 2.034
207 HD3 ARG 33 HD2 ARG 33 21.623 -7.362 3.274
208 HE ARG 33 HE ARG 33 22.895 -6.182 1.699
209 HH11 ARG 33 HH21 ARG 33 21.868 -9.246 0.480
210 HH12 ARG 33 HH22 ARG 33 22.298 -8.885 -1.158
211 HH21 ARG 33 HH11 ARG 33 23.471 -5.702 -0.414
212 HH22 ARG 33 HH12 ARG 33 23.205 -6.870 -1.669
213 H GLN 34 H GLN 34 27.044 -6.514 3.350
214 HA GLN 34 HA GLN 34 28.119 -7.770 5.670
215 HB2 GLN 34 HB3 GLN 34 29.693 -5.622 4.332
216 HB3 GLN 34 HB2 GLN 34 30.185 -7.253 4.776
217 HG2 GLN 34 HG3 GLN 34 28.435 -6.458 2.461
218 HG3 GLN 34 HG2 GLN 34 30.069 -7.086 2.360
219 HE21 GLN 34 HE21 GLN 34 27.093 -8.051 1.675
220 HE22 GLN 34 HE22 GLN 34 27.151 -9.686 2.148
221 H PHE 35 H PHE 35 27.472 -4.346 4.906
222 HA PHE 35 HA PHE 35 28.459 -3.534 7.542
223 HB2 PHE 35 HB3 PHE 35 27.394 -2.019 5.164
224 HB3 PHE 35 HB2 PHE 35 27.667 -1.222 6.708
225 HD1 PHE 35 HD1 PHE 35 30.121 -1.989 7.809
226 HD2 PHE 35 HD2 PHE 35 29.160 -1.800 3.602
227 HE1 PHE 35 HE1 PHE 35 32.516 -1.775 7.255
228 HE2 PHE 35 HE2 PHE 35 31.561 -1.600 3.077
229 HZ PHE 35 HZ PHE 35 33.241 -1.584 4.895
230 H CYS 36 H CYS 36 25.396 -3.208 5.718
231 HA CYS 36 HA CYS 36 24.007 -2.972 8.300
232 HB2 CYS 36 HB3 CYS 36 23.529 -1.895 5.557
233 HB3 CYS 36 HB2 CYS 36 22.123 -2.230 6.560
234 H ARG 37 H ARG 37 23.447 -4.945 8.959
235 HA ARG 37 HA ARG 37 22.680 -7.032 7.099
236 HB2 ARG 37 HB3 ARG 37 23.944 -7.529 9.179
237 HB3 ARG 37 HB2 ARG 37 22.555 -6.994 10.125
238 HG2 ARG 37 HG3 ARG 37 21.159 -8.740 9.097
239 HG3 ARG 37 HG2 ARG 37 22.523 -9.262 8.109
240 HD2 ARG 37 HD3 ARG 37 23.796 -9.717 10.225
241 HD3 ARG 37 HD2 ARG 37 22.330 -9.356 11.130
242 HE ARG 37 HE ARG 37 21.722 -11.306 9.188
243 HH11 ARG 37 HH21 ARG 37 23.576 -10.859 12.075
244 HH12 ARG 37 HH22 ARG 37 23.469 -12.517 12.565
245 HH21 ARG 37 HH11 ARG 37 21.576 -13.481 9.824
246 HH22 ARG 37 HH12 ARG 37 22.335 -14.001 11.291
247 H2 BGC 101 H2 GLC 0 35.928 6.544 -7.775
248 H3 BGC 101 H3 GLC 0 36.752 4.182 -5.986
249 H4 BGC 101 H4 GLC 0 38.209 6.849 -6.410
250 H5 BGC 101 H5 GLC 0 36.674 5.856 -3.914
251 H6C1 BGC 101 H61 GLC 0 37.689 7.481 -2.739
252 H6C2 BGC 101 H62 GLC 0 38.788 7.756 -4.109
253 H1 BGC 101 H1 GLC 0 34.614 5.536 -5.153
254 HB BGC 101 HO2 GLC 0 34.037 5.213 -7.891
255 HC BGC 101 HO3 GLC 0 38.429 4.037 -7.343
256 HD BGC 101 HO4 GLC 0 39.760 5.749 -5.542
257 H6 BGC 101 HO6 GLC 0 36.991 9.375 -3.123
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 29.602 4.599 6.378
2 H2 GLY 1 H2 GLY 1 28.452 5.849 6.360
3 H3 GLY 1 H3 GLY 1 28.816 5.005 4.932
4 HA2 GLY 1 HA3 GLY 1 26.751 4.174 5.690
5 HA3 GLY 1 HA2 GLY 1 27.970 2.943 6.024
6 H LEU 2 H LEU 2 25.983 2.506 7.558
7 HA LEU 2 HA LEU 2 25.198 2.370 9.715
8 HB2 LEU 2 HB3 LEU 2 27.889 3.561 10.447
9 HB3 LEU 2 HB2 LEU 2 26.844 2.606 11.494
10 HG LEU 2 HG LEU 2 28.057 1.577 8.910
11 HD11 LEU 2 HD11 LEU 2 28.980 1.355 11.783
12 HD12 LEU 2 HD12 LEU 2 29.882 1.977 10.400
13 HD13 LEU 2 HD13 LEU 2 29.522 0.254 10.517
14 HD21 LEU 2 HD21 LEU 2 27.498 -0.650 10.147
15 HD22 LEU 2 HD22 LEU 2 26.175 0.230 9.395
16 HD23 LEU 2 HD23 LEU 2 26.427 0.339 11.138
17 H GLY 3 H GLY 3 25.736 5.184 8.158
18 HA2 GLY 3 HA3 GLY 3 24.918 6.955 10.364
19 HA3 GLY 3 HA2 GLY 3 25.533 7.471 8.803
20 H LYS 4 H LYS 4 23.246 8.579 9.825
21 HA LYS 4 HA LYS 4 20.853 7.291 8.987
22 HB2 LYS 4 HB3 LYS 4 19.793 9.427 9.403
23 HB3 LYS 4 HB2 LYS 4 21.102 9.329 10.581
24 HG2 LYS 4 HG3 LYS 4 22.548 10.655 8.955
25 HG3 LYS 4 HG2 LYS 4 21.120 10.884 7.969
26 HD2 LYS 4 HD3 LYS 4 19.943 11.987 9.810
27 HD3 LYS 4 HD2 LYS 4 21.338 11.759 10.864
28 HE2 LYS 4 HE3 LYS 4 21.658 13.943 10.079
29 HE3 LYS 4 HE2 LYS 4 22.652 13.002 8.967
30 HZ1 LYS 4 HZ1 LYS 4 20.958 14.720 8.058
31 HZ2 LYS 4 HZ2 LYS 4 19.826 13.481 8.325
32 HZ3 LYS 4 HZ3 LYS 4 21.141 13.223 7.281
33 H ALA 5 H ALA 5 20.036 7.123 6.983
34 HA ALA 5 HA ALA 5 19.687 7.429 4.735
35 HB1 ALA 5 HB1 ALA 5 21.276 9.980 4.794
36 HB2 ALA 5 HB2 ALA 5 19.693 9.916 5.567
37 HB3 ALA 5 HB3 ALA 5 19.845 9.579 3.844
38 H GLN 6 H GLN 6 22.824 7.640 6.175
39 HA GLN 6 HA GLN 6 24.307 7.488 3.802
40 HB2 GLN 6 HB3 GLN 6 24.880 6.839 6.678
41 HB3 GLN 6 HB2 GLN 6 26.061 6.544 5.436
42 HG2 GLN 6 HG3 GLN 6 24.760 9.237 5.911
43 HG3 GLN 6 HG2 GLN 6 26.337 8.785 6.579
44 HE21 GLN 6 HE21 GLN 6 25.107 10.568 4.121
45 HE22 GLN 6 HE22 GLN 6 26.281 10.297 2.927
46 H CYS 7 H CYS 7 23.024 5.226 6.120
47 HA CYS 7 HA CYS 7 24.034 2.872 4.844
48 HB2 CYS 7 HB3 CYS 7 23.176 3.203 7.287
49 HB3 CYS 7 HB2 CYS 7 21.590 2.863 6.594
50 H ALA 8 H ALA 8 20.795 4.355 4.950
51 HA ALA 8 HA ALA 8 19.592 2.507 3.210
52 HB1 ALA 8 HB1 ALA 8 18.176 3.933 4.484
53 HB2 ALA 8 HB2 ALA 8 17.949 4.411 2.801
54 HB3 ALA 8 HB3 ALA 8 18.971 5.382 3.867
55 H ALA 9 H ALA 9 21.128 5.602 2.545
56 HA ALA 9 HA ALA 9 20.608 5.605 -0.234
57 HB1 ALA 9 HB1 ALA 9 22.291 7.346 -0.382
58 HB2 ALA 9 HB2 ALA 9 22.904 6.937 1.218
59 HB3 ALA 9 HB3 ALA 9 21.287 7.623 1.038
60 H LEU 10 H LEU 10 23.113 4.164 1.744
61 HA LEU 10 HA LEU 10 24.967 3.615 -0.306
62 HB2 LEU 10 HB3 LEU 10 25.435 3.489 2.104
63 HB3 LEU 10 HB2 LEU 10 24.359 2.112 2.240
64 HG LEU 10 HG LEU 10 25.789 0.741 0.841
65 HD11 LEU 10 HD11 LEU 10 26.735 2.181 -0.778
66 HD12 LEU 10 HD12 LEU 10 28.103 1.767 0.248
67 HD13 LEU 10 HD13 LEU 10 27.301 3.327 0.435
68 HD21 LEU 10 HD21 LEU 10 27.898 0.873 2.272
69 HD22 LEU 10 HD22 LEU 10 26.390 0.747 3.170
70 HD23 LEU 10 HD23 LEU 10 27.201 2.299 3.025
71 H TRP 11 H TRP 11 22.133 1.727 0.884
72 HA TRP 11 HA TRP 11 22.683 -0.408 -1.001
73 HB2 TRP 11 HB3 TRP 11 21.252 -1.478 0.399
74 HB3 TRP 11 HB2 TRP 11 20.917 0.040 1.218
75 HD1 TRP 11 HD1 TRP 11 18.681 1.229 0.724
76 HE1 TRP 11 HE1 TRP 11 16.561 0.590 -0.585
77 HE3 TRP 11 HE3 TRP 11 20.469 -2.769 -1.890
78 HZ2 TRP 11 HZ2 TRP 11 15.752 -1.348 -2.536
79 HZ3 TRP 11 HZ3 TRP 11 19.011 -3.983 -3.476
80 HH2 TRP 11 HH2 TRP 11 16.658 -3.277 -3.806
81 H LEU 12 H LEU 12 20.444 2.334 -0.852
82 HA LEU 12 HA LEU 12 19.068 1.793 -3.232
83 HB2 LEU 12 HB3 LEU 12 18.724 3.553 -1.253
84 HB3 LEU 12 HB2 LEU 12 19.528 4.625 -2.380
85 HG LEU 12 HG LEU 12 17.157 4.840 -2.745
86 HD11 LEU 12 HD11 LEU 12 18.029 3.035 -4.993
87 HD12 LEU 12 HD12 LEU 12 18.792 4.604 -4.741
88 HD13 LEU 12 HD13 LEU 12 17.064 4.505 -5.067
89 HD21 LEU 12 HD21 LEU 12 16.717 1.997 -3.564
90 HD22 LEU 12 HD22 LEU 12 15.626 3.128 -2.775
91 HD23 LEU 12 HD23 LEU 12 16.856 2.300 -1.832
92 H GLN 13 H GLN 13 21.966 3.713 -2.601
93 HA GLN 13 HA GLN 13 22.318 4.779 -5.173
94 HB2 GLN 13 HB3 GLN 13 24.191 4.127 -2.914
95 HB3 GLN 13 HB2 GLN 13 24.778 4.818 -4.414
96 HG2 GLN 13 HG3 GLN 13 22.474 6.083 -2.944
97 HG3 GLN 13 HG2 GLN 13 24.135 6.439 -2.489
98 HE21 GLN 13 HE21 GLN 13 23.934 5.704 -5.801
99 HE22 GLN 13 HE22 GLN 13 23.890 7.294 -6.401
100 H CYS 14 H CYS 14 23.095 1.654 -3.785
101 HA CYS 14 HA CYS 14 24.832 0.753 -5.826
102 HB2 CYS 14 HB3 CYS 14 23.977 -0.276 -3.451
103 HB3 CYS 14 HB2 CYS 14 23.047 -1.261 -4.574
104 H ALA 15 H ALA 15 21.548 1.417 -5.878
105 HA ALA 15 HA ALA 15 20.762 -0.453 -7.870
106 HB1 ALA 15 HB1 ALA 15 19.349 0.920 -6.201
107 HB2 ALA 15 HB2 ALA 15 18.713 0.681 -7.832
108 HB3 ALA 15 HB3 ALA 15 19.472 2.213 -7.393
109 H SER 16 H SER 16 21.858 2.898 -7.914
110 HA SER 16 HA SER 16 22.061 2.787 -10.862
111 HB2 SER 16 HB3 SER 16 20.574 4.556 -10.017
112 HB3 SER 16 HB2 SER 16 21.902 5.206 -9.061
113 HG SER 16 HG SER 16 23.019 5.607 -10.975
114 H GLY 17 H GLY 17 23.734 3.565 -7.918
115 HA2 GLY 17 HA3 GLY 17 26.322 3.522 -9.339
116 HA3 GLY 17 HA2 GLY 17 25.945 4.834 -8.230
117 H GLY 18 H GLY 18 25.630 4.304 -5.936
118 HA2 GLY 18 HA3 GLY 18 25.736 2.194 -4.383
119 HA3 GLY 18 HA2 GLY 18 27.319 2.013 -5.125
120 H THR 19 H THR 19 28.895 3.681 -4.783
121 HA THR 19 HA THR 19 28.767 4.769 -2.085
122 HB THR 19 HB THR 19 31.096 5.029 -2.235
123 HG1 THR 19 HG1 THR 19 30.883 4.936 -5.062
124 HG21 THR 19 HG21 THR 19 30.556 2.860 -4.298
125 HG22 THR 19 HG22 THR 19 30.311 2.625 -2.568
126 HG23 THR 19 HG23 THR 19 31.929 2.957 -3.193
127 H ILE 20 H ILE 20 27.163 5.995 -4.334
128 HA ILE 20 HA ILE 20 26.455 8.011 -5.020
129 HB ILE 20 HB ILE 20 28.251 9.005 -2.801
130 HG12 ILE 20 HG13 ILE 20 25.274 8.469 -2.765
131 HG13 ILE 20 HG12 ILE 20 26.459 7.302 -2.194
132 HG21 ILE 20 HG21 ILE 20 27.657 10.827 -4.264
133 HG22 ILE 20 HG22 ILE 20 26.597 10.929 -2.859
134 HG23 ILE 20 HG23 ILE 20 25.992 10.262 -4.377
135 HD11 ILE 20 HD11 ILE 20 26.033 10.102 -1.110
136 HD12 ILE 20 HD12 ILE 20 27.336 9.022 -0.610
137 HD13 ILE 20 HD13 ILE 20 25.655 8.585 -0.289
138 H GLY 21 H GLY 21 29.838 7.312 -4.817
139 HA2 GLY 21 HA3 GLY 21 30.545 9.479 -6.636
140 HA3 GLY 21 HA2 GLY 21 31.667 8.378 -5.851
141 H CYS 22 H CYS 22 29.169 6.548 -7.038
142 HA CYS 22 HA CYS 22 29.125 4.951 -8.699
143 HB2 CYS 22 HB3 CYS 22 28.149 6.732 -9.946
144 HB3 CYS 22 HB2 CYS 22 29.713 7.502 -10.198
145 H GLY 23 H GLY 23 30.748 3.490 -8.408
146 HA2 GLY 23 HA3 GLY 23 32.784 3.200 -10.253
147 HA3 GLY 23 HA2 GLY 23 33.510 4.044 -8.895
148 H GLY 24 H GLY 24 32.257 1.058 -10.061
149 HA2 GLY 24 HA3 GLY 24 32.551 -1.110 -9.320
150 HA3 GLY 24 HA2 GLY 24 33.661 -0.478 -8.107
151 H GLY 25 H GLY 25 30.566 0.974 -8.157
152 HA2 GLY 25 HA3 GLY 25 29.965 0.262 -5.507
153 HA3 GLY 25 HA2 GLY 25 28.828 0.957 -6.650
154 H ALA 26 H ALA 26 30.067 -1.799 -8.034
155 HA ALA 26 HA ALA 26 27.638 -3.195 -7.911
156 HB1 ALA 26 HB1 ALA 26 29.223 -3.611 -9.694
157 HB2 ALA 26 HB2 ALA 26 28.954 -5.113 -8.811
158 HB3 ALA 26 HB3 ALA 26 30.426 -4.180 -8.537
159 H VAL 27 H VAL 27 30.667 -3.617 -6.164
160 HA VAL 27 HA VAL 27 29.772 -5.812 -4.554
161 HB VAL 27 HB VAL 27 32.166 -5.319 -5.104
162 HG11 VAL 27 HG11 VAL 27 31.875 -3.140 -3.020
163 HG12 VAL 27 HG12 VAL 27 31.992 -2.852 -4.753
164 HG13 VAL 27 HG13 VAL 27 33.343 -3.582 -3.890
165 HG21 VAL 27 HG21 VAL 27 31.557 -6.799 -3.196
166 HG22 VAL 27 HG22 VAL 27 31.547 -5.391 -2.136
167 HG23 VAL 27 HG23 VAL 27 33.048 -5.910 -2.892
168 H ALA 28 H ALA 28 29.363 -2.374 -4.333
169 HA ALA 28 HA ALA 28 29.108 -2.088 -1.539
170 HB1 ALA 28 HB1 ALA 28 27.253 -0.311 -2.710
171 HB2 ALA 28 HB2 ALA 28 28.523 -0.527 -3.898
172 HB3 ALA 28 HB3 ALA 28 28.930 0.038 -2.296
173 H CYS 29 H CYS 29 26.936 -3.440 -3.936
174 HA CYS 29 HA CYS 29 24.524 -3.251 -2.540
175 HB2 CYS 29 HB3 CYS 29 25.487 -5.513 -4.294
176 HB3 CYS 29 HB2 CYS 29 23.835 -5.216 -3.806
177 H GLN 30 H GLN 30 26.920 -5.892 -2.620
178 HA GLN 30 HA GLN 30 25.461 -7.421 -0.713
179 HB2 GLN 30 HB3 GLN 30 27.669 -8.739 -0.456
180 HB3 GLN 30 HB2 GLN 30 26.857 -8.775 -2.011
181 HG2 GLN 30 HG3 GLN 30 29.025 -8.340 -2.697
182 HG3 GLN 30 HG2 GLN 30 28.435 -6.707 -2.522
183 HE21 GLN 30 HE21 GLN 30 30.275 -9.246 -0.797
184 HE22 GLN 30 HE22 GLN 30 31.160 -8.171 0.174
185 H ASN 31 H ASN 31 27.979 -5.037 -0.416
186 HA ASN 31 HA ASN 31 28.859 -5.460 2.172
187 HB2 ASN 31 HB3 ASN 31 28.417 -2.933 0.559
188 HB3 ASN 31 HB2 ASN 31 29.074 -2.920 2.177
189 HD21 ASN 31 HD21 ASN 31 29.979 -3.621 -1.132
190 HD22 ASN 31 HD22 ASN 31 31.540 -4.205 -0.782
191 H TYR 32 H TYR 32 25.874 -4.077 1.039
192 HA TYR 32 HA TYR 32 24.956 -2.895 3.392
193 HB2 TYR 32 HB3 TYR 32 23.796 -2.465 1.354
194 HB3 TYR 32 HB2 TYR 32 23.479 -4.184 1.117
195 HD1 TYR 32 HD2 TYR 32 22.005 -5.405 2.625
196 HD2 TYR 32 HD1 TYR 32 22.381 -1.139 2.823
197 HE1 TYR 32 HE2 TYR 32 19.949 -5.307 3.947
198 HE2 TYR 32 HE1 TYR 32 20.304 -1.011 4.147
199 HH TYR 32 HH TYR 32 18.752 -3.889 5.409
200 H ARG 33 H ARG 33 24.541 -6.267 2.306
201 HA ARG 33 HA ARG 33 22.945 -7.032 4.508
202 HB2 ARG 33 HB3 ARG 33 23.401 -8.311 2.314
203 HB3 ARG 33 HB2 ARG 33 24.883 -8.874 3.108
204 HG2 ARG 33 HG3 ARG 33 23.213 -10.558 3.482
205 HG3 ARG 33 HG2 ARG 33 23.478 -9.725 5.008
206 HD2 ARG 33 HD3 ARG 33 21.372 -8.566 4.857
207 HD3 ARG 33 HD2 ARG 33 21.197 -8.941 3.139
208 HE ARG 33 HE ARG 33 20.259 -10.943 3.785
209 HH11 ARG 33 HH21 ARG 33 22.222 -9.613 6.296
210 HH12 ARG 33 HH22 ARG 33 21.827 -10.844 7.451
211 HH21 ARG 33 HH11 ARG 33 19.727 -12.563 5.285
212 HH22 ARG 33 HH12 ARG 33 20.411 -12.521 6.875
213 H GLN 34 H GLN 34 26.382 -7.081 3.913
214 HA GLN 34 HA GLN 34 27.233 -8.427 6.236
215 HB2 GLN 34 HB3 GLN 34 28.653 -6.267 4.704
216 HB3 GLN 34 HB2 GLN 34 29.400 -7.533 5.665
217 HG2 GLN 34 HG3 GLN 34 28.508 -9.243 4.148
218 HG3 GLN 34 HG2 GLN 34 27.704 -7.997 3.200
219 HE21 GLN 34 HE21 GLN 34 28.851 -7.506 1.351
220 HE22 GLN 34 HE22 GLN 34 30.547 -7.508 1.220
221 H PHE 35 H PHE 35 26.765 -4.961 5.569
222 HA PHE 35 HA PHE 35 27.546 -4.283 8.315
223 HB2 PHE 35 HB3 PHE 35 26.804 -2.620 5.910
224 HB3 PHE 35 HB2 PHE 35 27.035 -1.908 7.501
225 HD1 PHE 35 HD2 PHE 35 29.351 -2.975 8.713
226 HD2 PHE 35 HD1 PHE 35 28.677 -2.429 4.484
227 HE1 PHE 35 HE2 PHE 35 31.781 -2.959 8.313
228 HE2 PHE 35 HE1 PHE 35 31.112 -2.423 4.109
229 HZ PHE 35 HZ PHE 35 32.669 -2.683 6.017
230 H CYS 36 H CYS 36 24.735 -3.807 6.170
231 HA CYS 36 HA CYS 36 23.065 -3.450 8.564
232 HB2 CYS 36 HB3 CYS 36 22.961 -2.446 5.754
233 HB3 CYS 36 HB2 CYS 36 21.432 -2.699 6.583
234 H ARG 37 H ARG 37 22.349 -5.395 9.201
235 HA ARG 37 HA ARG 37 21.738 -7.508 7.321
236 HB2 ARG 37 HB3 ARG 37 21.420 -7.260 10.316
237 HB3 ARG 37 HB2 ARG 37 20.936 -8.694 9.411
238 HG2 ARG 37 HG3 ARG 37 23.229 -8.955 8.564
239 HG3 ARG 37 HG2 ARG 37 23.725 -7.501 9.430
240 HD2 ARG 37 HD3 ARG 37 23.139 -8.562 11.572
241 HD3 ARG 37 HD2 ARG 37 22.609 -10.009 10.719
242 HE ARG 37 HE ARG 37 25.249 -9.519 9.940
243 HH11 ARG 37 HH21 ARG 37 23.442 -10.239 12.804
244 HH12 ARG 37 HH22 ARG 37 24.737 -11.097 13.570
245 HH21 ARG 37 HH11 ARG 37 26.950 -10.645 10.940
246 HH22 ARG 37 HH12 ARG 37 26.722 -11.327 12.516
247 H2 BGC 101 H2 GLC 0 29.947 4.528 -13.713
248 H3 BGC 101 H3 GLC 0 32.821 4.620 -12.619
249 H4 BGC 101 H4 GLC 0 31.632 6.175 -14.981
250 H5 BGC 101 H5 GLC 0 32.468 7.227 -12.194
251 H6C1 BGC 101 H61 GLC 0 32.413 9.305 -13.048
252 H6C2 BGC 101 H62 GLC 0 32.292 8.609 -14.679
253 H1 BGC 101 H1 GLC 0 30.975 5.707 -11.034
254 HB BGC 101 HO2 GLC 0 29.726 3.291 -11.768
255 HC BGC 101 HO3 GLC 0 33.336 3.781 -14.544
256 HD BGC 101 HO4 GLC 0 33.665 6.453 -15.381
257 H6 BGC 101 HO6 GLC 0 30.524 10.037 -13.392
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 27.469 2.278 5.730
2 H2 GLY 1 H2 GLY 1 27.386 3.408 4.463
3 H3 GLY 1 H3 GLY 1 26.208 3.412 5.688
4 HA2 GLY 1 HA3 GLY 1 29.076 3.889 6.245
5 HA3 GLY 1 HA2 GLY 1 27.958 5.195 5.851
6 H LEU 2 H LEU 2 26.289 2.721 7.340
7 HA LEU 2 HA LEU 2 25.295 2.501 9.398
8 HB2 LEU 2 HB3 LEU 2 27.880 3.693 10.442
9 HB3 LEU 2 HB2 LEU 2 26.757 2.667 11.332
10 HG LEU 2 HG LEU 2 28.269 1.801 8.847
11 HD11 LEU 2 HD11 LEU 2 28.788 1.265 11.787
12 HD12 LEU 2 HD12 LEU 2 29.823 2.179 10.689
13 HD13 LEU 2 HD13 LEU 2 29.609 0.444 10.460
14 HD21 LEU 2 HD21 LEU 2 26.360 0.418 8.998
15 HD22 LEU 2 HD22 LEU 2 26.370 0.435 10.763
16 HD23 LEU 2 HD23 LEU 2 27.578 -0.500 9.879
17 H GLY 3 H GLY 3 25.939 5.390 8.021
18 HA2 GLY 3 HA3 GLY 3 24.966 7.083 10.201
19 HA3 GLY 3 HA2 GLY 3 25.544 7.628 8.633
20 H LYS 4 H LYS 4 23.239 8.623 9.701
21 HA LYS 4 HA LYS 4 20.878 7.257 8.919
22 HB2 LYS 4 HB3 LYS 4 19.760 9.364 9.345
23 HB3 LYS 4 HB2 LYS 4 21.084 9.281 10.508
24 HG2 LYS 4 HG3 LYS 4 22.483 10.657 8.879
25 HG3 LYS 4 HG2 LYS 4 21.039 10.864 7.909
26 HD2 LYS 4 HD3 LYS 4 19.869 11.907 9.827
27 HD3 LYS 4 HD2 LYS 4 21.331 11.754 10.801
28 HE2 LYS 4 HE3 LYS 4 21.059 13.347 8.230
29 HE3 LYS 4 HE2 LYS 4 21.200 14.011 9.858
30 HZ1 LYS 4 HZ1 LYS 4 23.234 12.391 8.428
31 HZ2 LYS 4 HZ2 LYS 4 23.366 12.897 10.044
32 HZ3 LYS 4 HZ3 LYS 4 23.333 14.044 8.792
33 H ALA 5 H ALA 5 20.009 7.024 6.975
34 HA ALA 5 HA ALA 5 19.533 7.280 4.738
35 HB1 ALA 5 HB1 ALA 5 21.028 9.887 4.722
36 HB2 ALA 5 HB2 ALA 5 19.460 9.764 5.516
37 HB3 ALA 5 HB3 ALA 5 19.608 9.411 3.795
38 H GLN 6 H GLN 6 22.701 7.612 6.037
39 HA GLN 6 HA GLN 6 24.098 7.510 3.605
40 HB2 GLN 6 HB3 GLN 6 24.806 6.923 6.465
41 HB3 GLN 6 HB2 GLN 6 25.950 6.658 5.172
42 HG2 GLN 6 HG3 GLN 6 24.545 9.292 5.655
43 HG3 GLN 6 HG2 GLN 6 26.158 8.926 6.281
44 HE21 GLN 6 HE21 GLN 6 24.790 10.631 3.847
45 HE22 GLN 6 HE22 GLN 6 25.938 10.396 2.619
46 H CYS 7 H CYS 7 22.978 5.188 5.974
47 HA CYS 7 HA CYS 7 24.066 2.896 4.649
48 HB2 CYS 7 HB3 CYS 7 23.120 3.259 7.133
49 HB3 CYS 7 HB2 CYS 7 21.671 2.569 6.402
50 H ALA 8 H ALA 8 20.782 4.263 4.811
51 HA ALA 8 HA ALA 8 19.602 2.357 3.109
52 HB1 ALA 8 HB1 ALA 8 17.939 4.292 2.708
53 HB2 ALA 8 HB2 ALA 8 18.945 5.191 3.849
54 HB3 ALA 8 HB3 ALA 8 18.137 3.707 4.360
55 H ALA 9 H ALA 9 21.004 5.509 2.413
56 HA ALA 9 HA ALA 9 20.464 5.479 -0.359
57 HB1 ALA 9 HB1 ALA 9 22.721 6.893 1.067
58 HB2 ALA 9 HB2 ALA 9 21.077 7.515 0.920
59 HB3 ALA 9 HB3 ALA 9 22.065 7.284 -0.522
60 H LEU 10 H LEU 10 23.023 4.113 1.604
61 HA LEU 10 HA LEU 10 24.885 3.633 -0.467
62 HB2 LEU 10 HB3 LEU 10 25.383 3.469 1.954
63 HB3 LEU 10 HB2 LEU 10 24.348 2.052 2.050
64 HG LEU 10 HG LEU 10 25.795 0.788 0.558
65 HD11 LEU 10 HD11 LEU 10 27.202 3.435 0.247
66 HD12 LEU 10 HD12 LEU 10 26.682 2.300 -0.997
67 HD13 LEU 10 HD13 LEU 10 28.077 1.923 0.010
68 HD21 LEU 10 HD21 LEU 10 27.284 2.276 2.736
69 HD22 LEU 10 HD22 LEU 10 27.846 0.789 1.981
70 HD23 LEU 10 HD23 LEU 10 26.359 0.793 2.927
71 H TRP 11 H TRP 11 22.186 1.627 0.807
72 HA TRP 11 HA TRP 11 22.744 -0.446 -1.138
73 HB2 TRP 11 HB3 TRP 11 21.475 -1.604 0.333
74 HB3 TRP 11 HB2 TRP 11 21.104 -0.112 1.192
75 HD1 TRP 11 HD1 TRP 11 18.798 1.016 0.765
76 HE1 TRP 11 HE1 TRP 11 16.648 0.244 -0.411
77 HE3 TRP 11 HE3 TRP 11 20.622 -2.997 -1.786
78 HZ2 TRP 11 HZ2 TRP 11 15.819 -1.815 -2.228
79 HZ3 TRP 11 HZ3 TRP 11 19.139 -4.354 -3.227
80 HH2 TRP 11 HH2 TRP 11 16.738 -3.769 -3.455
81 H LEU 12 H LEU 12 20.396 2.184 -0.809
82 HA LEU 12 HA LEU 12 18.858 1.589 -3.085
83 HB2 LEU 12 HB3 LEU 12 18.466 3.268 -1.111
84 HB3 LEU 12 HB2 LEU 12 19.318 4.410 -2.138
85 HG LEU 12 HG LEU 12 17.608 3.476 -3.987
86 HD11 LEU 12 HD11 LEU 12 15.484 2.846 -3.132
87 HD12 LEU 12 HD12 LEU 12 15.908 3.324 -1.489
88 HD13 LEU 12 HD13 LEU 12 16.634 1.885 -2.205
89 HD21 LEU 12 HD21 LEU 12 16.104 5.362 -3.438
90 HD22 LEU 12 HD22 LEU 12 17.801 5.829 -3.311
91 HD23 LEU 12 HD23 LEU 12 16.864 5.499 -1.853
92 H GLN 13 H GLN 13 21.699 3.670 -2.681
93 HA GLN 13 HA GLN 13 21.704 4.756 -5.266
94 HB2 GLN 13 HB3 GLN 13 23.918 4.201 -3.296
95 HB3 GLN 13 HB2 GLN 13 24.179 5.019 -4.832
96 HG2 GLN 13 HG3 GLN 13 22.005 5.995 -3.006
97 HG3 GLN 13 HG2 GLN 13 23.674 6.442 -2.675
98 HE21 GLN 13 HE21 GLN 13 22.937 5.900 -6.007
99 HE22 GLN 13 HE22 GLN 13 22.845 7.532 -6.474
100 H CYS 14 H CYS 14 23.026 1.752 -3.957
101 HA CYS 14 HA CYS 14 24.583 0.917 -6.052
102 HB2 CYS 14 HB3 CYS 14 23.730 -0.277 -3.766
103 HB3 CYS 14 HB2 CYS 14 22.807 -1.191 -4.953
104 H ALA 15 H ALA 15 21.108 0.908 -5.859
105 HA ALA 15 HA ALA 15 20.675 -0.499 -8.297
106 HB1 ALA 15 HB1 ALA 15 18.762 1.484 -7.110
107 HB2 ALA 15 HB2 ALA 15 19.075 -0.052 -6.313
108 HB3 ALA 15 HB3 ALA 15 18.410 -0.031 -7.946
109 H SER 16 H SER 16 20.952 2.892 -7.411
110 HA SER 16 HA SER 16 20.182 3.939 -9.926
111 HB2 SER 16 HB3 SER 16 20.126 5.283 -7.871
112 HB3 SER 16 HB2 SER 16 21.882 5.194 -7.770
113 HG SER 16 HG SER 16 21.148 5.983 -10.222
114 H GLY 17 H GLY 17 23.233 2.942 -8.565
115 HA2 GLY 17 HA3 GLY 17 24.491 2.417 -10.986
116 HA3 GLY 17 HA2 GLY 17 24.908 4.074 -10.561
117 H GLY 18 H GLY 18 24.984 3.758 -7.733
118 HA2 GLY 18 HA3 GLY 18 26.618 1.608 -6.896
119 HA3 GLY 18 HA2 GLY 18 27.642 2.966 -7.341
120 H THR 19 H THR 19 28.012 4.475 -5.852
121 HA THR 19 HA THR 19 26.130 4.970 -3.672
122 HB THR 19 HB THR 19 27.548 4.361 -1.928
123 HG1 THR 19 HG1 THR 19 29.908 3.929 -3.077
124 HG21 THR 19 HG21 THR 19 28.504 2.518 -4.156
125 HG22 THR 19 HG22 THR 19 26.977 2.326 -3.296
126 HG23 THR 19 HG23 THR 19 28.506 2.159 -2.432
127 H ILE 20 H ILE 20 27.909 6.501 -2.123
128 HA ILE 20 HA ILE 20 27.883 8.963 -3.583
129 HB ILE 20 HB ILE 20 29.184 8.321 -0.919
130 HG12 ILE 20 HG13 ILE 20 26.418 9.439 -1.472
131 HG13 ILE 20 HG12 ILE 20 26.725 7.745 -1.095
132 HG21 ILE 20 HG21 ILE 20 28.245 10.914 -2.183
133 HG22 ILE 20 HG22 ILE 20 29.921 10.447 -1.893
134 HG23 ILE 20 HG23 ILE 20 28.842 10.753 -0.532
135 HD11 ILE 20 HD11 ILE 20 27.313 10.133 0.682
136 HD12 ILE 20 HD12 ILE 20 27.824 8.484 1.044
137 HD13 ILE 20 HD13 ILE 20 26.107 8.877 0.960
138 H GLY 21 H GLY 21 30.398 6.726 -2.485
139 HA2 GLY 21 HA3 GLY 21 32.610 8.272 -3.310
140 HA3 GLY 21 HA2 GLY 21 32.629 6.539 -3.020
141 H CYS 22 H CYS 22 30.493 6.098 -4.997
142 HA CYS 22 HA CYS 22 30.318 5.453 -7.190
143 HB2 CYS 22 HB3 CYS 22 30.045 7.771 -7.682
144 HB3 CYS 22 HB2 CYS 22 31.768 8.082 -7.485
145 H GLY 23 H GLY 23 31.336 3.765 -8.022
146 HA2 GLY 23 HA3 GLY 23 33.460 3.365 -9.460
147 HA3 GLY 23 HA2 GLY 23 34.286 3.637 -7.932
148 H GLY 24 H GLY 24 32.662 1.384 -9.889
149 HA2 GLY 24 HA3 GLY 24 32.196 -0.859 -9.662
150 HA3 GLY 24 HA2 GLY 24 33.488 -0.868 -8.466
151 H GLY 25 H GLY 25 30.532 1.027 -8.215
152 HA2 GLY 25 HA3 GLY 25 29.989 0.244 -5.578
153 HA3 GLY 25 HA2 GLY 25 28.838 1.014 -6.661
154 H ALA 26 H ALA 26 29.900 -1.709 -8.198
155 HA ALA 26 HA ALA 26 27.454 -3.048 -8.043
156 HB1 ALA 26 HB1 ALA 26 28.667 -4.954 -9.064
157 HB2 ALA 26 HB2 ALA 26 30.190 -4.124 -8.744
158 HB3 ALA 26 HB3 ALA 26 29.024 -3.425 -9.867
159 H VAL 27 H VAL 27 30.503 -3.633 -6.362
160 HA VAL 27 HA VAL 27 29.544 -5.840 -4.804
161 HB VAL 27 HB VAL 27 31.950 -5.443 -5.328
162 HG11 VAL 27 HG11 VAL 27 31.735 -3.238 -3.260
163 HG12 VAL 27 HG12 VAL 27 31.881 -2.970 -4.996
164 HG13 VAL 27 HG13 VAL 27 33.192 -3.746 -4.109
165 HG21 VAL 27 HG21 VAL 27 31.405 -5.441 -2.347
166 HG22 VAL 27 HG22 VAL 27 32.789 -6.150 -3.171
167 HG23 VAL 27 HG23 VAL 27 31.187 -6.855 -3.376
168 H ALA 28 H ALA 28 29.202 -2.432 -4.560
169 HA ALA 28 HA ALA 28 29.025 -2.082 -1.791
170 HB1 ALA 28 HB1 ALA 28 28.948 -0.305 -3.618
171 HB2 ALA 28 HB2 ALA 28 27.884 -0.076 -2.243
172 HB3 ALA 28 HB3 ALA 28 27.232 -0.679 -3.753
173 H CYS 29 H CYS 29 26.748 -3.484 -4.058
174 HA CYS 29 HA CYS 29 24.403 -3.292 -2.558
175 HB2 CYS 29 HB3 CYS 29 25.348 -5.475 -4.416
176 HB3 CYS 29 HB2 CYS 29 23.705 -5.308 -3.815
177 H GLN 30 H GLN 30 26.791 -5.912 -2.712
178 HA GLN 30 HA GLN 30 25.433 -7.467 -0.763
179 HB2 GLN 30 HB3 GLN 30 27.683 -8.729 -0.619
180 HB3 GLN 30 HB2 GLN 30 26.822 -8.755 -2.154
181 HG2 GLN 30 HG3 GLN 30 28.954 -8.237 -2.889
182 HG3 GLN 30 HG2 GLN 30 28.308 -6.626 -2.659
183 HE21 GLN 30 HE21 GLN 30 30.332 -9.121 -1.107
184 HE22 GLN 30 HE22 GLN 30 31.190 -8.046 -0.112
185 H ASN 31 H ASN 31 27.928 -5.051 -0.592
186 HA ASN 31 HA ASN 31 28.932 -5.441 1.956
187 HB2 ASN 31 HB3 ASN 31 28.466 -2.955 0.293
188 HB3 ASN 31 HB2 ASN 31 29.121 -2.868 1.917
189 HD21 ASN 31 HD21 ASN 31 30.045 -3.585 -1.354
190 HD22 ASN 31 HD22 ASN 31 31.598 -4.182 -1.004
191 H TYR 32 H TYR 32 25.896 -4.075 0.947
192 HA TYR 32 HA TYR 32 25.096 -2.829 3.307
193 HB2 TYR 32 HB3 TYR 32 23.809 -2.526 1.309
194 HB3 TYR 32 HB2 TYR 32 23.512 -4.261 1.188
195 HD1 TYR 32 HD2 TYR 32 22.137 -5.419 2.861
196 HD2 TYR 32 HD1 TYR 32 22.470 -1.142 2.791
197 HE1 TYR 32 HE2 TYR 32 20.145 -5.258 4.271
198 HE2 TYR 32 HE1 TYR 32 20.455 -0.962 4.212
199 HH TYR 32 HH TYR 32 18.778 -3.880 5.409
200 H ARG 33 H ARG 33 24.638 -6.227 2.330
201 HA ARG 33 HA ARG 33 23.183 -6.922 4.648
202 HB2 ARG 33 HB3 ARG 33 23.738 -8.223 2.338
203 HB3 ARG 33 HB2 ARG 33 24.908 -9.022 3.402
204 HG2 ARG 33 HG3 ARG 33 23.029 -10.366 3.703
205 HG3 ARG 33 HG2 ARG 33 22.865 -9.228 5.043
206 HD2 ARG 33 HD3 ARG 33 20.695 -9.298 4.049
207 HD3 ARG 33 HD2 ARG 33 21.403 -7.809 3.420
208 HE ARG 33 HE ARG 33 21.014 -10.329 1.937
209 HH11 ARG 33 HH21 ARG 33 21.989 -6.984 1.994
210 HH12 ARG 33 HH22 ARG 33 21.970 -6.826 0.270
211 HH21 ARG 33 HH11 ARG 33 21.012 -10.103 -0.297
212 HH22 ARG 33 HH12 ARG 33 21.422 -8.584 -1.021
213 H GLN 34 H GLN 34 26.606 -6.975 3.854
214 HA GLN 34 HA GLN 34 27.533 -8.279 6.193
215 HB2 GLN 34 HB3 GLN 34 28.981 -6.193 4.580
216 HB3 GLN 34 HB2 GLN 34 29.696 -7.493 5.525
217 HG2 GLN 34 HG3 GLN 34 28.747 -9.166 4.040
218 HG3 GLN 34 HG2 GLN 34 27.885 -7.928 3.133
219 HE21 GLN 34 HE21 GLN 34 28.907 -7.510 1.203
220 HE22 GLN 34 HE22 GLN 34 30.590 -7.486 0.969
221 H PHE 35 H PHE 35 27.056 -4.839 5.423
222 HA PHE 35 HA PHE 35 27.962 -4.057 8.094
223 HB2 PHE 35 HB3 PHE 35 27.086 -2.515 5.657
224 HB3 PHE 35 HB2 PHE 35 27.329 -1.715 7.207
225 HD1 PHE 35 HD1 PHE 35 29.698 -2.631 8.421
226 HD2 PHE 35 HD2 PHE 35 28.914 -2.368 4.185
227 HE1 PHE 35 HE1 PHE 35 32.124 -2.583 7.960
228 HE2 PHE 35 HE2 PHE 35 31.339 -2.331 3.748
229 HZ PHE 35 HZ PHE 35 32.951 -2.438 5.626
230 H CYS 36 H CYS 36 25.016 -3.587 6.118
231 HA CYS 36 HA CYS 36 23.503 -3.263 8.618
232 HB2 CYS 36 HB3 CYS 36 23.249 -2.182 5.854
233 HB3 CYS 36 HB2 CYS 36 21.755 -2.477 6.732
234 H ARG 37 H ARG 37 22.795 -5.187 9.280
235 HA ARG 37 HA ARG 37 22.239 -7.396 7.600
236 HB2 ARG 37 HB3 ARG 37 22.723 -7.589 10.028
237 HB3 ARG 37 HB2 ARG 37 21.164 -6.840 10.377
238 HG2 ARG 37 HG3 ARG 37 19.999 -8.668 9.232
239 HG3 ARG 37 HG2 ARG 37 21.542 -9.404 8.800
240 HD2 ARG 37 HD3 ARG 37 20.653 -10.526 10.768
241 HD3 ARG 37 HD2 ARG 37 22.081 -9.603 11.227
242 HE ARG 37 HE ARG 37 19.752 -8.018 11.586
243 HH11 ARG 37 HH21 ARG 37 21.458 -10.742 12.864
244 HH12 ARG 37 HH22 ARG 37 20.881 -10.520 14.483
245 HH21 ARG 37 HH11 ARG 37 18.992 -7.717 13.706
246 HH22 ARG 37 HH12 ARG 37 19.484 -8.806 14.958
247 H2 BGC 101 H2 GLC 0 31.915 6.648 -11.866
248 H3 BGC 101 H3 GLC 0 34.475 5.487 -10.615
249 H4 BGC 101 H4 GLC 0 34.152 8.066 -12.247
250 H5 BGC 101 H5 GLC 0 34.694 7.746 -9.218
251 H6C1 BGC 101 H61 GLC 0 35.304 9.909 -9.178
252 H6C2 BGC 101 H62 GLC 0 35.318 9.916 -10.955
253 H1 BGC 101 H1 GLC 0 32.691 6.424 -8.871
254 HB BGC 101 HO2 GLC 0 31.048 4.918 -10.594
255 HC BGC 101 HO3 GLC 0 35.113 5.287 -12.671
256 HD BGC 101 HO4 GLC 0 36.230 7.855 -12.351
257 H6 BGC 101 HO6 GLC 0 33.746 11.238 -9.342
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 32.249 4.904 5.835
2 H2 GLY 1 H2 GLY 1 31.416 5.520 7.182
3 H3 GLY 1 H3 GLY 1 31.227 6.245 5.657
4 HA2 GLY 1 HA3 GLY 1 29.728 4.755 4.959
5 HA3 GLY 1 HA2 GLY 1 30.585 3.427 5.743
6 H LEU 2 H LEU 2 28.021 3.197 6.075
7 HA LEU 2 HA LEU 2 26.289 3.094 7.569
8 HB2 LEU 2 HB3 LEU 2 28.726 3.319 9.312
9 HB3 LEU 2 HB2 LEU 2 27.135 3.355 10.069
10 HG LEU 2 HG LEU 2 27.740 1.179 8.069
11 HD11 LEU 2 HD11 LEU 2 28.679 1.266 10.950
12 HD12 LEU 2 HD12 LEU 2 29.669 1.031 9.510
13 HD13 LEU 2 HD13 LEU 2 28.540 -0.224 10.018
14 HD21 LEU 2 HD21 LEU 2 26.076 -0.024 9.274
15 HD22 LEU 2 HD22 LEU 2 25.457 1.623 9.213
16 HD23 LEU 2 HD23 LEU 2 26.218 1.026 10.683
17 H GLY 3 H GLY 3 24.929 4.332 9.012
18 HA2 GLY 3 HA3 GLY 3 24.835 6.556 10.252
19 HA3 GLY 3 HA2 GLY 3 25.379 7.251 8.734
20 H LYS 4 H LYS 4 23.027 8.094 9.874
21 HA LYS 4 HA LYS 4 20.717 6.700 8.992
22 HB2 LYS 4 HB3 LYS 4 19.546 8.750 9.542
23 HB3 LYS 4 HB2 LYS 4 20.865 8.629 10.705
24 HG2 LYS 4 HG3 LYS 4 22.234 10.094 9.056
25 HG3 LYS 4 HG2 LYS 4 20.716 10.394 8.241
26 HD2 LYS 4 HD3 LYS 4 20.806 12.199 9.718
27 HD3 LYS 4 HD2 LYS 4 19.833 11.043 10.627
28 HE2 LYS 4 HE3 LYS 4 21.765 10.349 11.919
29 HE3 LYS 4 HE2 LYS 4 22.837 11.319 10.917
30 HZ1 LYS 4 HZ1 LYS 4 22.317 13.163 12.027
31 HZ2 LYS 4 HZ2 LYS 4 21.669 12.138 13.217
32 HZ3 LYS 4 HZ3 LYS 4 20.657 12.815 12.033
33 H ALA 5 H ALA 5 19.836 6.626 7.005
34 HA ALA 5 HA ALA 5 19.443 7.069 4.803
35 HB1 ALA 5 HB1 ALA 5 19.439 9.273 4.064
36 HB2 ALA 5 HB2 ALA 5 20.888 9.689 4.980
37 HB3 ALA 5 HB3 ALA 5 19.346 9.492 5.809
38 H GLN 6 H GLN 6 22.556 7.306 6.221
39 HA GLN 6 HA GLN 6 24.091 7.424 3.886
40 HB2 GLN 6 HB3 GLN 6 24.918 7.891 6.244
41 HB3 GLN 6 HB2 GLN 6 24.830 6.161 6.547
42 HG2 GLN 6 HG3 GLN 6 26.425 7.319 4.259
43 HG3 GLN 6 HG2 GLN 6 27.124 7.065 5.864
44 HE21 GLN 6 HE21 GLN 6 27.928 5.639 3.415
45 HE22 GLN 6 HE22 GLN 6 27.600 3.995 3.682
46 H CYS 7 H CYS 7 22.782 4.938 5.947
47 HA CYS 7 HA CYS 7 23.844 2.728 4.483
48 HB2 CYS 7 HB3 CYS 7 21.956 3.108 6.745
49 HB3 CYS 7 HB2 CYS 7 21.776 1.613 5.833
50 H ALA 8 H ALA 8 20.591 4.157 4.666
51 HA ALA 8 HA ALA 8 19.430 2.430 2.787
52 HB1 ALA 8 HB1 ALA 8 17.996 3.715 4.175
53 HB2 ALA 8 HB2 ALA 8 17.738 4.304 2.533
54 HB3 ALA 8 HB3 ALA 8 18.740 5.223 3.653
55 H ALA 9 H ALA 9 20.881 5.611 2.333
56 HA ALA 9 HA ALA 9 20.329 5.817 -0.422
57 HB1 ALA 9 HB1 ALA 9 21.013 7.750 0.920
58 HB2 ALA 9 HB2 ALA 9 22.103 7.528 -0.448
59 HB3 ALA 9 HB3 ALA 9 22.602 7.028 1.167
60 H LEU 10 H LEU 10 22.878 4.247 1.394
61 HA LEU 10 HA LEU 10 24.658 3.823 -0.764
62 HB2 LEU 10 HB3 LEU 10 25.204 3.669 1.639
63 HB3 LEU 10 HB2 LEU 10 24.189 2.245 1.768
64 HG LEU 10 HG LEU 10 25.647 0.931 0.382
65 HD11 LEU 10 HD11 LEU 10 27.010 3.572 -0.203
66 HD12 LEU 10 HD12 LEU 10 26.396 2.376 -1.350
67 HD13 LEU 10 HD13 LEU 10 27.847 2.037 -0.413
68 HD21 LEU 10 HD21 LEU 10 26.353 1.143 2.696
69 HD22 LEU 10 HD22 LEU 10 27.154 2.673 2.360
70 HD23 LEU 10 HD23 LEU 10 27.793 1.185 1.686
71 H TRP 11 H TRP 11 21.951 1.873 0.534
72 HA TRP 11 HA TRP 11 22.364 -0.190 -1.465
73 HB2 TRP 11 HB3 TRP 11 21.256 -1.375 0.110
74 HB3 TRP 11 HB2 TRP 11 20.916 0.098 1.003
75 HD1 TRP 11 HD1 TRP 11 18.530 1.017 0.949
76 HE1 TRP 11 HE1 TRP 11 16.301 0.194 -0.047
77 HE3 TRP 11 HE3 TRP 11 20.285 -2.613 -2.156
78 HZ2 TRP 11 HZ2 TRP 11 15.394 -1.750 -1.952
79 HZ3 TRP 11 HZ3 TRP 11 18.726 -3.935 -3.558
80 HH2 TRP 11 HH2 TRP 11 16.286 -3.505 -3.464
81 H LEU 12 H LEU 12 20.185 2.544 -0.960
82 HA LEU 12 HA LEU 12 18.411 2.008 -3.079
83 HB2 LEU 12 HB3 LEU 12 18.304 3.766 -1.142
84 HB3 LEU 12 HB2 LEU 12 19.155 4.811 -2.267
85 HG LEU 12 HG LEU 12 17.237 3.982 -3.950
86 HD11 LEU 12 HD11 LEU 12 16.310 2.497 -2.037
87 HD12 LEU 12 HD12 LEU 12 15.158 3.480 -2.936
88 HD13 LEU 12 HD13 LEU 12 15.706 4.000 -1.343
89 HD21 LEU 12 HD21 LEU 12 17.673 6.330 -3.295
90 HD22 LEU 12 HD22 LEU 12 16.766 6.079 -1.803
91 HD23 LEU 12 HD23 LEU 12 15.943 5.993 -3.361
92 H GLN 13 H GLN 13 21.409 3.876 -2.926
93 HA GLN 13 HA GLN 13 21.362 4.832 -5.575
94 HB2 GLN 13 HB3 GLN 13 23.572 4.286 -3.596
95 HB3 GLN 13 HB2 GLN 13 23.883 4.963 -5.188
96 HG2 GLN 13 HG3 GLN 13 21.817 6.193 -3.376
97 HG3 GLN 13 HG2 GLN 13 23.518 6.607 -3.214
98 HE21 GLN 13 HE21 GLN 13 22.667 5.794 -6.436
99 HE22 GLN 13 HE22 GLN 13 22.520 7.376 -7.038
100 H CYS 14 H CYS 14 22.596 1.872 -4.104
101 HA CYS 14 HA CYS 14 23.918 0.852 -6.362
102 HB2 CYS 14 HB3 CYS 14 23.658 0.046 -3.775
103 HB3 CYS 14 HB2 CYS 14 22.601 -1.118 -4.565
104 H ALA 15 H ALA 15 20.714 1.483 -5.978
105 HA ALA 15 HA ALA 15 19.506 -0.697 -7.297
106 HB1 ALA 15 HB1 ALA 15 17.593 0.761 -7.508
107 HB2 ALA 15 HB2 ALA 15 18.603 2.180 -7.230
108 HB3 ALA 15 HB3 ALA 15 18.327 1.024 -5.925
109 H SER 16 H SER 16 20.967 2.296 -8.364
110 HA SER 16 HA SER 16 20.463 1.614 -11.179
111 HB2 SER 16 HB3 SER 16 21.233 4.154 -9.771
112 HB3 SER 16 HB2 SER 16 21.447 3.981 -11.512
113 HG SER 16 HG SER 16 19.193 4.404 -10.076
114 H GLY 17 H GLY 17 22.952 1.813 -8.798
115 HA2 GLY 17 HA3 GLY 17 24.966 0.461 -9.202
116 HA3 GLY 17 HA2 GLY 17 24.999 1.119 -10.837
117 H GLY 18 H GLY 18 24.430 2.701 -7.705
118 HA2 GLY 18 HA3 GLY 18 26.889 4.286 -8.075
119 HA3 GLY 18 HA2 GLY 18 25.355 5.093 -7.778
120 H THR 19 H THR 19 27.334 5.590 -6.062
121 HA THR 19 HA THR 19 26.349 4.463 -3.562
122 HB THR 19 HB THR 19 28.382 3.585 -2.790
123 HG1 THR 19 HG1 THR 19 30.026 4.501 -4.791
124 HG21 THR 19 HG21 THR 19 29.330 2.168 -4.586
125 HG22 THR 19 HG22 THR 19 28.557 3.173 -5.807
126 HG23 THR 19 HG23 THR 19 27.570 2.204 -4.711
127 H ILE 20 H ILE 20 27.481 5.643 -1.686
128 HA ILE 20 HA ILE 20 27.306 8.475 -2.161
129 HB ILE 20 HB ILE 20 28.212 6.972 0.310
130 HG12 ILE 20 HG13 ILE 20 25.471 8.089 -0.326
131 HG13 ILE 20 HG12 ILE 20 25.900 6.397 -0.569
132 HG21 ILE 20 HG21 ILE 20 28.858 9.306 0.392
133 HG22 ILE 20 HG22 ILE 20 27.450 9.093 1.432
134 HG23 ILE 20 HG23 ILE 20 27.262 9.811 -0.168
135 HD11 ILE 20 HD11 ILE 20 25.953 7.919 2.051
136 HD12 ILE 20 HD12 ILE 20 26.576 6.281 1.844
137 HD13 ILE 20 HD13 ILE 20 24.859 6.609 1.612
138 H GLY 21 H GLY 21 29.837 6.104 -2.008
139 HA2 GLY 21 HA3 GLY 21 31.796 8.043 -2.819
140 HA3 GLY 21 HA2 GLY 21 32.079 7.360 -1.219
141 H CYS 22 H CYS 22 33.808 7.010 -3.341
142 HA CYS 22 HA CYS 22 35.036 5.435 -4.455
143 HB2 CYS 22 HB2 CYS 22 33.638 3.749 -2.384
144 HB3 CYS 22 HB3 CYS 22 34.804 3.051 -3.523
145 H GLY 23 H GLY 23 34.893 3.726 -6.048
146 HA2 GLY 23 HA3 GLY 23 32.527 3.931 -7.630
147 HA3 GLY 23 HA2 GLY 23 33.924 2.918 -7.971
148 H GLY 24 H GLY 24 33.873 0.812 -7.485
149 HA2 GLY 24 HA3 GLY 24 33.016 -1.261 -6.952
150 HA3 GLY 24 HA2 GLY 24 32.223 -0.466 -5.596
151 H GLY 25 H GLY 25 30.280 0.832 -6.226
152 HA2 GLY 25 HA3 GLY 25 28.108 0.920 -6.859
153 HA3 GLY 25 HA2 GLY 25 28.733 0.602 -8.470
154 H ALA 26 H ALA 26 29.331 -1.698 -8.815
155 HA ALA 26 HA ALA 26 26.998 -3.271 -8.606
156 HB1 ALA 26 HB1 ALA 26 28.671 -3.583 -10.390
157 HB2 ALA 26 HB2 ALA 26 28.345 -5.091 -9.536
158 HB3 ALA 26 HB3 ALA 26 29.818 -4.187 -9.192
159 H VAL 27 H VAL 27 30.099 -3.449 -6.980
160 HA VAL 27 HA VAL 27 29.334 -5.584 -5.212
161 HB VAL 27 HB VAL 27 31.669 -5.174 -5.936
162 HG11 VAL 27 HG11 VAL 27 32.910 -3.282 -5.116
163 HG12 VAL 27 HG12 VAL 27 31.549 -2.756 -4.126
164 HG13 VAL 27 HG13 VAL 27 31.439 -2.690 -5.881
165 HG21 VAL 27 HG21 VAL 27 32.681 -5.752 -3.894
166 HG22 VAL 27 HG22 VAL 27 31.009 -6.248 -3.646
167 HG23 VAL 27 HG23 VAL 27 31.595 -4.740 -2.955
168 H ALA 28 H ALA 28 28.904 -2.162 -5.221
169 HA ALA 28 HA ALA 28 28.852 -1.629 -2.465
170 HB1 ALA 28 HB1 ALA 28 28.101 -0.284 -4.884
171 HB2 ALA 28 HB2 ALA 28 28.456 0.423 -3.320
172 HB3 ALA 28 HB3 ALA 28 26.809 -0.066 -3.709
173 H CYS 29 H CYS 29 26.477 -3.200 -4.550
174 HA CYS 29 HA CYS 29 24.256 -2.939 -2.856
175 HB2 CYS 29 HB3 CYS 29 24.979 -5.184 -4.729
176 HB3 CYS 29 HB2 CYS 29 23.420 -4.973 -3.965
177 H GLN 30 H GLN 30 26.655 -5.582 -3.078
178 HA GLN 30 HA GLN 30 25.345 -7.057 -1.022
179 HB2 GLN 30 HB3 GLN 30 27.483 -8.392 -0.897
180 HB3 GLN 30 HB2 GLN 30 26.719 -8.339 -2.478
181 HG2 GLN 30 HG3 GLN 30 29.022 -7.954 -2.884
182 HG3 GLN 30 HG2 GLN 30 28.260 -6.376 -2.986
183 HE21 GLN 30 HE21 GLN 30 28.909 -8.081 0.083
184 HE22 GLN 30 HE22 GLN 30 30.058 -6.967 0.646
185 H ASN 31 H ASN 31 27.900 -4.681 -1.004
186 HA ASN 31 HA ASN 31 29.041 -4.968 1.470
187 HB2 ASN 31 HB3 ASN 31 28.268 -2.515 -0.112
188 HB3 ASN 31 HB2 ASN 31 29.073 -2.412 1.435
189 HD21 ASN 31 HD21 ASN 31 29.684 -3.127 -1.934
190 HD22 ASN 31 HD22 ASN 31 31.324 -3.534 -1.744
191 H TYR 32 H TYR 32 25.877 -3.814 0.644
192 HA TYR 32 HA TYR 32 25.112 -2.579 3.023
193 HB2 TYR 32 HB3 TYR 32 23.816 -2.297 1.033
194 HB3 TYR 32 HB2 TYR 32 23.516 -4.029 0.937
195 HD1 TYR 32 HD2 TYR 32 22.174 -5.156 2.611
196 HD2 TYR 32 HD1 TYR 32 22.487 -0.886 2.496
197 HE1 TYR 32 HE2 TYR 32 20.209 -4.997 4.072
198 HE2 TYR 32 HE1 TYR 32 20.502 -0.707 3.973
199 HH TYR 32 HH TYR 32 18.439 -2.238 4.473
200 H ARG 33 H ARG 33 24.643 -6.034 2.120
201 HA ARG 33 HA ARG 33 23.310 -6.708 4.533
202 HB2 ARG 33 HB3 ARG 33 23.746 -8.063 2.283
203 HB3 ARG 33 HB2 ARG 33 25.104 -8.734 3.189
204 HG2 ARG 33 HG3 ARG 33 22.128 -8.836 3.938
205 HG3 ARG 33 HG2 ARG 33 23.153 -10.189 3.496
206 HD2 ARG 33 HD3 ARG 33 23.078 -8.655 6.136
207 HD3 ARG 33 HD2 ARG 33 23.059 -10.402 5.849
208 HE ARG 33 HE ARG 33 25.401 -8.794 6.141
209 HH11 ARG 33 HH21 ARG 33 24.043 -11.491 4.442
210 HH12 ARG 33 HH22 ARG 33 25.568 -12.268 4.181
211 HH21 ARG 33 HH11 ARG 33 27.402 -9.811 5.800
212 HH22 ARG 33 HH12 ARG 33 27.469 -11.318 4.949
213 H GLN 34 H GLN 34 26.689 -6.668 3.573
214 HA GLN 34 HA GLN 34 27.777 -7.815 5.921
215 HB2 GLN 34 HB3 GLN 34 29.381 -5.713 4.548
216 HB3 GLN 34 HB2 GLN 34 29.832 -7.361 4.974
217 HG2 GLN 34 HG3 GLN 34 28.061 -6.517 2.697
218 HG3 GLN 34 HG2 GLN 34 29.694 -7.132 2.553
219 HE21 GLN 34 HE21 GLN 34 26.931 -8.191 1.637
220 HE22 GLN 34 HE22 GLN 34 26.920 -9.799 2.190
221 H PHE 35 H PHE 35 27.308 -4.359 5.062
222 HA PHE 35 HA PHE 35 28.228 -3.551 7.717
223 HB2 PHE 35 HB3 PHE 35 27.218 -1.998 5.332
224 HB3 PHE 35 HB2 PHE 35 27.612 -1.227 6.861
225 HD1 PHE 35 HD2 PHE 35 30.092 -2.284 7.820
226 HD2 PHE 35 HD1 PHE 35 28.899 -1.725 3.705
227 HE1 PHE 35 HE2 PHE 35 32.457 -2.194 7.128
228 HE2 PHE 35 HE1 PHE 35 31.275 -1.636 3.042
229 HZ PHE 35 HZ PHE 35 33.055 -1.868 4.748
230 H CYS 36 H CYS 36 25.239 -3.328 5.793
231 HA CYS 36 HA CYS 36 23.755 -2.768 8.266
232 HB2 CYS 36 HB3 CYS 36 23.353 -2.159 5.369
233 HB3 CYS 36 HB2 CYS 36 21.922 -2.357 6.372
234 H ARG 37 H ARG 37 23.206 -4.657 9.202
235 HA ARG 37 HA ARG 37 22.801 -7.093 7.841
236 HB2 ARG 37 HB3 ARG 37 23.327 -6.768 10.305
237 HB3 ARG 37 HB2 ARG 37 21.635 -6.334 10.521
238 HG2 ARG 37 HG3 ARG 37 21.548 -8.612 10.972
239 HG3 ARG 37 HG2 ARG 37 21.195 -8.619 9.247
240 HD2 ARG 37 HD3 ARG 37 23.626 -9.019 8.800
241 HD3 ARG 37 HD2 ARG 37 23.899 -9.108 10.535
242 HE ARG 37 HE ARG 37 21.856 -10.932 9.790
243 HH11 ARG 37 HH21 ARG 37 25.262 -10.368 9.571
244 HH12 ARG 37 HH22 ARG 37 25.676 -12.048 9.481
245 HH21 ARG 37 HH11 ARG 37 22.390 -13.141 9.671
246 HH22 ARG 37 HH12 ARG 37 24.050 -13.617 9.537
247 H2 BGC 101 H2 GLC 0 37.521 5.076 -0.076
248 H3 BGC 101 H3 GLC 0 37.290 2.182 0.938
249 H4 BGC 101 H4 GLC 0 36.422 4.768 2.344
250 H5 BGC 101 H5 GLC 0 34.655 2.555 1.096
251 H6C1 BGC 101 H61 GLC 0 32.917 3.405 2.240
252 H6C2 BGC 101 H62 GLC 0 34.050 4.403 3.178
253 H1 BGC 101 H1 GLC 0 35.676 2.798 -1.091
254 HB BGC 101 HO2 GLC 0 38.120 3.888 -1.971
255 HC BGC 101 HO3 GLC 0 38.683 2.845 2.452
256 HD BGC 101 HO4 GLC 0 36.397 3.467 3.980
257 H6 BGC 101 HO6 GLC 0 32.203 5.187 1.506
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 29.437 5.952 6.278
2 H2 GLY 1 H2 GLY 1 28.469 6.424 4.964
3 H3 GLY 1 H3 GLY 1 29.689 5.262 4.750
4 HA2 GLY 1 HA3 GLY 1 27.081 4.714 5.186
5 HA3 GLY 1 HA2 GLY 1 28.415 3.591 5.460
6 H LEU 2 H LEU 2 26.482 2.991 7.033
7 HA LEU 2 HA LEU 2 25.776 2.744 9.204
8 HB2 LEU 2 HB3 LEU 2 28.408 4.088 9.893
9 HB3 LEU 2 HB2 LEU 2 27.453 3.046 10.946
10 HG LEU 2 HG LEU 2 28.674 2.165 8.313
11 HD11 LEU 2 HD11 LEU 2 30.328 0.979 9.699
12 HD12 LEU 2 HD12 LEU 2 29.602 1.655 11.158
13 HD13 LEU 2 HD13 LEU 2 30.400 2.715 9.996
14 HD21 LEU 2 HD21 LEU 2 27.105 0.779 10.492
15 HD22 LEU 2 HD22 LEU 2 28.238 -0.133 9.497
16 HD23 LEU 2 HD23 LEU 2 26.881 0.696 8.744
17 H GLY 3 H GLY 3 26.082 5.624 7.714
18 HA2 GLY 3 HA3 GLY 3 25.305 7.317 9.978
19 HA3 GLY 3 HA2 GLY 3 25.677 7.861 8.351
20 H LYS 4 H LYS 4 23.453 8.788 9.636
21 HA LYS 4 HA LYS 4 21.091 7.298 9.112
22 HB2 LYS 4 HB3 LYS 4 19.914 9.361 9.615
23 HB3 LYS 4 HB2 LYS 4 21.333 9.351 10.662
24 HG2 LYS 4 HG3 LYS 4 22.518 10.777 8.905
25 HG3 LYS 4 HG2 LYS 4 20.987 10.909 8.073
26 HD2 LYS 4 HD3 LYS 4 19.931 11.907 10.048
27 HD3 LYS 4 HD2 LYS 4 21.447 11.790 10.938
28 HE2 LYS 4 HE3 LYS 4 21.009 13.388 8.397
29 HE3 LYS 4 HE2 LYS 4 21.144 14.056 10.022
30 HZ1 LYS 4 HZ1 LYS 4 23.372 12.983 10.139
31 HZ2 LYS 4 HZ2 LYS 4 23.256 14.235 8.997
32 HZ3 LYS 4 HZ3 LYS 4 23.233 12.613 8.490
33 H ALA 5 H ALA 5 20.056 7.012 7.236
34 HA ALA 5 HA ALA 5 19.396 7.231 5.057
35 HB1 ALA 5 HB1 ALA 5 19.244 9.713 5.867
36 HB2 ALA 5 HB2 ALA 5 19.212 9.367 4.139
37 HB3 ALA 5 HB3 ALA 5 20.699 9.932 4.899
38 H GLN 6 H GLN 6 22.655 7.718 6.075
39 HA GLN 6 HA GLN 6 23.845 7.730 3.533
40 HB2 GLN 6 HB3 GLN 6 24.798 7.164 6.319
41 HB3 GLN 6 HB2 GLN 6 25.850 6.864 4.962
42 HG2 GLN 6 HG3 GLN 6 24.486 9.520 5.438
43 HG3 GLN 6 HG2 GLN 6 26.119 9.162 6.023
44 HE21 GLN 6 HE21 GLN 6 27.834 9.078 4.449
45 HE22 GLN 6 HE22 GLN 6 27.604 9.511 2.824
46 H CYS 7 H CYS 7 22.986 5.368 5.934
47 HA CYS 7 HA CYS 7 24.042 3.104 4.561
48 HB2 CYS 7 HB3 CYS 7 23.229 3.484 7.084
49 HB3 CYS 7 HB2 CYS 7 21.753 2.765 6.449
50 H ALA 8 H ALA 8 20.731 4.376 4.917
51 HA ALA 8 HA ALA 8 19.522 2.448 3.265
52 HB1 ALA 8 HB1 ALA 8 17.758 4.282 2.958
53 HB2 ALA 8 HB2 ALA 8 18.789 5.272 3.991
54 HB3 ALA 8 HB3 ALA 8 18.096 3.775 4.612
55 H ALA 9 H ALA 9 20.849 5.613 2.499
56 HA ALA 9 HA ALA 9 20.141 5.617 -0.235
57 HB1 ALA 9 HB1 ALA 9 20.803 7.651 0.984
58 HB2 ALA 9 HB2 ALA 9 21.793 7.412 -0.456
59 HB3 ALA 9 HB3 ALA 9 22.445 7.022 1.136
60 H LEU 10 H LEU 10 22.860 4.308 1.546
61 HA LEU 10 HA LEU 10 24.582 3.822 -0.628
62 HB2 LEU 10 HB3 LEU 10 25.211 3.760 1.752
63 HB3 LEU 10 HB2 LEU 10 24.234 2.321 1.969
64 HG LEU 10 HG LEU 10 25.649 1.019 0.486
65 HD11 LEU 10 HD11 LEU 10 26.400 2.504 -1.207
66 HD12 LEU 10 HD12 LEU 10 27.850 2.156 -0.280
67 HD13 LEU 10 HD13 LEU 10 26.998 3.681 -0.033
68 HD21 LEU 10 HD21 LEU 10 26.417 1.059 2.751
69 HD22 LEU 10 HD22 LEU 10 27.081 2.681 2.580
70 HD23 LEU 10 HD23 LEU 10 27.853 1.325 1.770
71 H TRP 11 H TRP 11 21.918 1.829 0.771
72 HA TRP 11 HA TRP 11 22.419 -0.281 -1.173
73 HB2 TRP 11 HB3 TRP 11 21.206 -1.439 0.359
74 HB3 TRP 11 HB2 TRP 11 20.880 0.054 1.227
75 HD1 TRP 11 HD1 TRP 11 18.536 1.091 1.031
76 HE1 TRP 11 HE1 TRP 11 16.321 0.341 -0.043
77 HE3 TRP 11 HE3 TRP 11 20.257 -2.721 -1.885
78 HZ2 TRP 11 HZ2 TRP 11 15.410 -1.606 -1.938
79 HZ3 TRP 11 HZ3 TRP 11 18.697 -4.004 -3.319
80 HH2 TRP 11 HH2 TRP 11 16.280 -3.450 -3.354
81 H LEU 12 H LEU 12 20.141 2.381 -0.774
82 HA LEU 12 HA LEU 12 18.457 1.784 -2.925
83 HB2 LEU 12 HB3 LEU 12 18.368 3.592 -0.973
84 HB3 LEU 12 HB2 LEU 12 19.041 4.637 -2.209
85 HG LEU 12 HG LEU 12 16.655 4.878 -2.291
86 HD11 LEU 12 HD11 LEU 12 18.011 4.594 -4.464
87 HD12 LEU 12 HD12 LEU 12 16.258 4.486 -4.572
88 HD13 LEU 12 HD13 LEU 12 17.230 3.017 -4.593
89 HD21 LEU 12 HD21 LEU 12 15.105 3.200 -2.088
90 HD22 LEU 12 HD22 LEU 12 16.430 2.357 -1.296
91 HD23 LEU 12 HD23 LEU 12 16.064 2.029 -2.990
92 H GLN 13 H GLN 13 21.393 3.804 -2.789
93 HA GLN 13 HA GLN 13 21.305 4.692 -5.454
94 HB2 GLN 13 HB3 GLN 13 23.538 4.288 -3.463
95 HB3 GLN 13 HB2 GLN 13 23.837 4.897 -5.081
96 HG2 GLN 13 HG3 GLN 13 22.193 6.671 -4.690
97 HG3 GLN 13 HG2 GLN 13 21.996 6.138 -3.043
98 HE21 GLN 13 HE21 GLN 13 25.053 5.460 -3.110
99 HE22 GLN 13 HE22 GLN 13 25.783 6.969 -2.842
100 H CYS 14 H CYS 14 22.656 1.844 -3.933
101 HA CYS 14 HA CYS 14 24.028 0.799 -6.144
102 HB2 CYS 14 HB3 CYS 14 23.665 -0.011 -3.557
103 HB3 CYS 14 HB2 CYS 14 22.684 -1.197 -4.407
104 H ALA 15 H ALA 15 20.843 1.460 -5.930
105 HA ALA 15 HA ALA 15 19.691 -0.757 -7.277
106 HB1 ALA 15 HB1 ALA 15 17.774 0.716 -7.575
107 HB2 ALA 15 HB2 ALA 15 18.763 2.110 -7.138
108 HB3 ALA 15 HB3 ALA 15 18.402 0.872 -5.931
109 H SER 16 H SER 16 21.131 2.275 -8.245
110 HA SER 16 HA SER 16 20.761 1.589 -11.093
111 HB2 SER 16 HB3 SER 16 20.809 3.864 -11.575
112 HB3 SER 16 HB2 SER 16 20.041 3.856 -9.988
113 HG SER 16 HG SER 16 22.545 4.731 -10.767
114 H GLY 17 H GLY 17 23.073 1.596 -8.624
115 HA2 GLY 17 HA3 GLY 17 25.214 0.519 -9.081
116 HA3 GLY 17 HA2 GLY 17 25.279 1.404 -10.603
117 H GLY 18 H GLY 18 24.056 3.085 -7.864
118 HA2 GLY 18 HA3 GLY 18 26.396 4.829 -7.858
119 HA3 GLY 18 HA2 GLY 18 24.825 5.192 -7.162
120 H THR 19 H THR 19 27.420 5.450 -5.937
121 HA THR 19 HA THR 19 26.851 4.147 -3.438
122 HB THR 19 HB THR 19 28.023 2.302 -4.280
123 HG1 THR 19 HG1 THR 19 30.185 2.558 -3.256
124 HG21 THR 19 HG21 THR 19 29.869 4.322 -5.590
125 HG22 THR 19 HG22 THR 19 28.873 3.098 -6.372
126 HG23 THR 19 HG23 THR 19 30.296 2.619 -5.444
127 H ILE 20 H ILE 20 28.107 4.956 -1.677
128 HA ILE 20 HA ILE 20 28.769 7.742 -1.898
129 HB ILE 20 HB ILE 20 29.283 5.782 0.364
130 HG12 ILE 20 HG13 ILE 20 26.980 7.715 -0.011
131 HG13 ILE 20 HG12 ILE 20 26.880 5.999 -0.399
132 HG21 ILE 20 HG21 ILE 20 29.176 7.945 1.707
133 HG22 ILE 20 HG22 ILE 20 29.287 8.803 0.170
134 HG23 ILE 20 HG23 ILE 20 30.604 7.753 0.691
135 HD11 ILE 20 HD11 ILE 20 26.001 6.395 1.859
136 HD12 ILE 20 HD12 ILE 20 27.513 7.175 2.329
137 HD13 ILE 20 HD13 ILE 20 27.490 5.452 1.949
138 H GLY 21 H GLY 21 30.576 4.713 -1.549
139 HA2 GLY 21 HA3 GLY 21 33.137 5.901 -1.265
140 HA3 GLY 21 HA2 GLY 21 32.823 4.230 -1.715
141 H CYS 22 H CYS 22 31.074 5.850 -3.875
142 HA CYS 22 HA CYS 22 31.330 6.057 -6.165
143 HB2 CYS 22 HB3 CYS 22 31.904 8.283 -5.489
144 HB3 CYS 22 HB2 CYS 22 33.538 7.786 -5.048
145 H GLY 23 H GLY 23 31.879 3.988 -6.857
146 HA2 GLY 23 HA3 GLY 23 34.030 3.533 -8.410
147 HA3 GLY 23 HA2 GLY 23 34.642 3.092 -6.821
148 H GLY 24 H GLY 24 32.742 2.141 -9.482
149 HA2 GLY 24 HA3 GLY 24 31.566 0.225 -9.999
150 HA3 GLY 24 HA2 GLY 24 32.733 -0.572 -8.949
151 H GLY 25 H GLY 25 29.767 1.403 -8.749
152 HA2 GLY 25 HA3 GLY 25 29.051 0.737 -6.132
153 HA3 GLY 25 HA2 GLY 25 27.920 1.218 -7.391
154 H ALA 26 H ALA 26 29.446 -1.405 -8.644
155 HA ALA 26 HA ALA 26 27.194 -3.064 -8.432
156 HB1 ALA 26 HB1 ALA 26 28.802 -4.873 -9.217
157 HB2 ALA 26 HB2 ALA 26 30.061 -3.640 -9.155
158 HB3 ALA 26 HB3 ALA 26 28.687 -3.443 -10.243
159 H VAL 27 H VAL 27 30.299 -3.171 -6.772
160 HA VAL 27 HA VAL 27 29.607 -5.372 -5.073
161 HB VAL 27 HB VAL 27 31.943 -4.765 -5.764
162 HG11 VAL 27 HG11 VAL 27 31.667 -2.597 -3.671
163 HG12 VAL 27 HG12 VAL 27 31.649 -2.306 -5.404
164 HG13 VAL 27 HG13 VAL 27 33.092 -2.961 -4.640
165 HG21 VAL 27 HG21 VAL 27 31.473 -6.249 -3.804
166 HG22 VAL 27 HG22 VAL 27 31.508 -4.828 -2.766
167 HG23 VAL 27 HG23 VAL 27 32.963 -5.326 -3.620
168 H ALA 28 H ALA 28 29.005 -1.962 -4.930
169 HA ALA 28 HA ALA 28 28.906 -1.608 -2.134
170 HB1 ALA 28 HB1 ALA 28 28.727 0.416 -3.204
171 HB2 ALA 28 HB2 ALA 28 27.010 0.124 -2.915
172 HB3 ALA 28 HB3 ALA 28 27.717 -0.229 -4.482
173 H CYS 29 H CYS 29 26.665 -3.163 -4.345
174 HA CYS 29 HA CYS 29 24.372 -3.052 -2.743
175 HB2 CYS 29 HB3 CYS 29 25.266 -5.242 -4.613
176 HB3 CYS 29 HB2 CYS 29 23.655 -5.041 -3.958
177 H GLN 30 H GLN 30 26.887 -5.559 -3.015
178 HA GLN 30 HA GLN 30 25.663 -7.175 -1.017
179 HB2 GLN 30 HB3 GLN 30 27.946 -8.360 -0.928
180 HB3 GLN 30 HB2 GLN 30 27.051 -8.423 -2.440
181 HG2 GLN 30 HG3 GLN 30 29.163 -7.866 -3.215
182 HG3 GLN 30 HG2 GLN 30 28.468 -6.271 -3.017
183 HE21 GLN 30 HE21 GLN 30 30.584 -8.663 -1.410
184 HE22 GLN 30 HE22 GLN 30 31.424 -7.527 -0.469
185 H ASN 31 H ASN 31 28.022 -4.632 -0.889
186 HA ASN 31 HA ASN 31 29.114 -4.997 1.632
187 HB2 ASN 31 HB3 ASN 31 28.418 -2.515 0.033
188 HB3 ASN 31 HB2 ASN 31 29.158 -2.433 1.620
189 HD21 ASN 31 HD21 ASN 31 29.935 -3.103 -1.721
190 HD22 ASN 31 HD22 ASN 31 31.542 -3.594 -1.452
191 H TYR 32 H TYR 32 25.981 -3.799 0.702
192 HA TYR 32 HA TYR 32 25.159 -2.663 3.108
193 HB2 TYR 32 HB3 TYR 32 23.833 -2.333 1.152
194 HB3 TYR 32 HB2 TYR 32 23.611 -4.070 0.950
195 HD1 TYR 32 HD1 TYR 32 22.322 -5.366 2.596
196 HD2 TYR 32 HD2 TYR 32 22.430 -1.078 2.667
197 HE1 TYR 32 HE1 TYR 32 20.348 -5.362 4.039
198 HE2 TYR 32 HE2 TYR 32 20.428 -1.049 4.109
199 HH TYR 32 HH TYR 32 18.708 -2.338 4.918
200 H ARG 33 H ARG 33 24.788 -6.081 2.067
201 HA ARG 33 HA ARG 33 23.403 -6.860 4.408
202 HB2 ARG 33 HB3 ARG 33 24.067 -8.141 2.089
203 HB3 ARG 33 HB2 ARG 33 25.239 -8.881 3.191
204 HG2 ARG 33 HG3 ARG 33 23.410 -10.308 3.421
205 HG3 ARG 33 HG2 ARG 33 23.177 -9.201 4.776
206 HD2 ARG 33 HD3 ARG 33 21.024 -9.348 3.749
207 HD3 ARG 33 HD2 ARG 33 21.672 -7.820 3.157
208 HE ARG 33 HE ARG 33 21.423 -10.330 1.618
209 HH11 ARG 33 HH21 ARG 33 22.267 -6.958 1.759
210 HH12 ARG 33 HH22 ARG 33 22.231 -6.752 0.042
211 HH21 ARG 33 HH11 ARG 33 21.395 -10.039 -0.627
212 HH22 ARG 33 HH12 ARG 33 21.745 -8.482 -1.302
213 H GLN 34 H GLN 34 26.799 -6.746 3.559
214 HA GLN 34 HA GLN 34 27.893 -7.967 5.855
215 HB2 GLN 34 HB3 GLN 34 29.068 -5.776 4.167
216 HB3 GLN 34 HB2 GLN 34 29.954 -6.964 5.112
217 HG2 GLN 34 HG3 GLN 34 29.067 -8.773 3.714
218 HG3 GLN 34 HG2 GLN 34 28.129 -7.610 2.787
219 HE21 GLN 34 HE21 GLN 34 29.117 -7.068 0.859
220 HE22 GLN 34 HE22 GLN 34 30.797 -6.997 0.607
221 H PHE 35 H PHE 35 27.234 -4.533 5.129
222 HA PHE 35 HA PHE 35 28.143 -3.751 7.801
223 HB2 PHE 35 HB3 PHE 35 27.168 -2.210 5.400
224 HB3 PHE 35 HB2 PHE 35 27.413 -1.425 6.955
225 HD1 PHE 35 HD1 PHE 35 29.845 -2.274 8.107
226 HD2 PHE 35 HD2 PHE 35 28.960 -1.940 3.894
227 HE1 PHE 35 HE1 PHE 35 32.251 -2.087 7.598
228 HE2 PHE 35 HE2 PHE 35 31.372 -1.768 3.409
229 HZ PHE 35 HZ PHE 35 33.019 -1.837 5.257
230 H CYS 36 H CYS 36 25.157 -3.460 5.861
231 HA CYS 36 HA CYS 36 23.654 -3.172 8.377
232 HB2 CYS 36 HB3 CYS 36 23.334 -2.088 5.616
233 HB3 CYS 36 HB2 CYS 36 21.867 -2.424 6.524
234 H ARG 37 H ARG 37 23.049 -5.137 9.011
235 HA ARG 37 HA ARG 37 22.740 -7.461 7.652
236 HB2 ARG 37 HB3 ARG 37 21.255 -8.198 9.393
237 HB3 ARG 37 HB2 ARG 37 22.469 -7.161 10.120
238 HG2 ARG 37 HG3 ARG 37 20.840 -5.253 9.978
239 HG3 ARG 37 HG2 ARG 37 19.622 -6.388 9.397
240 HD2 ARG 37 HD3 ARG 37 19.335 -6.128 11.787
241 HD3 ARG 37 HD2 ARG 37 19.968 -7.743 11.474
242 HE ARG 37 HE ARG 37 22.124 -5.964 11.929
243 HH11 ARG 37 HH21 ARG 37 19.475 -7.507 13.538
244 HH12 ARG 37 HH22 ARG 37 20.262 -7.556 15.080
245 HH21 ARG 37 HH11 ARG 37 23.159 -6.025 13.947
246 HH22 ARG 37 HH12 ARG 37 22.347 -6.717 15.311
247 H2 BGC 101 H2 GLC 0 34.288 8.337 -9.562
248 H3 BGC 101 H3 GLC 0 35.961 5.864 -8.824
249 H4 BGC 101 H4 GLC 0 36.880 8.781 -9.068
250 H5 BGC 101 H5 GLC 0 36.534 7.066 -6.516
251 H6C1 BGC 101 H61 GLC 0 37.767 8.592 -5.418
252 H6C2 BGC 101 H62 GLC 0 38.217 9.318 -6.976
253 H1 BGC 101 H1 GLC 0 34.195 6.624 -6.978
254 HB BGC 101 HO2 GLC 0 32.635 6.734 -9.322
255 HC BGC 101 HO3 GLC 0 36.986 6.288 -10.679
256 HD BGC 101 HO4 GLC 0 38.743 7.833 -9.108
257 H6 BGC 101 HO6 GLC 0 36.799 10.366 -5.049
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 29.216 5.184 6.120
2 H2 GLY 1 H2 GLY 1 28.896 3.535 6.365
3 H3 GLY 1 H3 GLY 1 30.442 4.039 5.877
4 HA2 GLY 1 HA3 GLY 1 30.723 3.631 8.128
5 HA3 GLY 1 HA2 GLY 1 30.484 5.377 8.038
6 H LEU 2 H LEU 2 27.869 3.175 7.399
7 HA LEU 2 HA LEU 2 25.807 2.968 8.388
8 HB2 LEU 2 HB3 LEU 2 27.828 2.546 10.550
9 HB3 LEU 2 HB2 LEU 2 26.138 2.648 11.039
10 HG LEU 2 HG LEU 2 26.826 0.869 8.709
11 HD11 LEU 2 HD11 LEU 2 27.192 -1.008 10.392
12 HD12 LEU 2 HD12 LEU 2 27.404 0.244 11.617
13 HD13 LEU 2 HD13 LEU 2 28.518 0.147 10.252
14 HD21 LEU 2 HD21 LEU 2 24.951 0.420 11.048
15 HD22 LEU 2 HD22 LEU 2 24.944 -0.404 9.490
16 HD23 LEU 2 HD23 LEU 2 24.467 1.290 9.595
17 H GLY 3 H GLY 3 24.642 4.739 8.129
18 HA2 GLY 3 HA3 GLY 3 24.358 6.567 10.350
19 HA3 GLY 3 HA2 GLY 3 25.013 7.314 8.902
20 H LYS 4 H LYS 4 22.701 8.246 9.838
21 HA LYS 4 HA LYS 4 20.357 6.963 8.887
22 HB2 LYS 4 HB3 LYS 4 19.254 9.076 9.373
23 HB3 LYS 4 HB2 LYS 4 20.527 8.913 10.585
24 HG2 LYS 4 HG3 LYS 4 22.018 10.346 9.086
25 HG3 LYS 4 HG2 LYS 4 20.624 10.618 8.063
26 HD2 LYS 4 HD3 LYS 4 19.376 11.587 9.967
27 HD3 LYS 4 HD2 LYS 4 20.787 11.374 11.002
28 HE2 LYS 4 HE3 LYS 4 20.687 13.062 8.479
29 HE3 LYS 4 HE2 LYS 4 20.690 13.677 10.132
30 HZ1 LYS 4 HZ1 LYS 4 22.822 11.885 9.839
31 HZ2 LYS 4 HZ2 LYS 4 22.882 13.554 10.150
32 HZ3 LYS 4 HZ3 LYS 4 22.883 12.985 8.550
33 H ALA 5 H ALA 5 19.592 6.841 6.884
34 HA ALA 5 HA ALA 5 19.231 7.223 4.651
35 HB1 ALA 5 HB1 ALA 5 19.386 9.400 3.825
36 HB2 ALA 5 HB2 ALA 5 20.767 9.804 4.843
37 HB3 ALA 5 HB3 ALA 5 19.158 9.664 5.551
38 H GLN 6 H GLN 6 22.340 7.417 6.124
39 HA GLN 6 HA GLN 6 23.847 7.444 3.763
40 HB2 GLN 6 HB3 GLN 6 24.392 6.699 6.617
41 HB3 GLN 6 HB2 GLN 6 25.590 6.422 5.385
42 HG2 GLN 6 HG3 GLN 6 24.284 9.109 5.857
43 HG3 GLN 6 HG2 GLN 6 25.823 8.643 6.601
44 HE21 GLN 6 HE21 GLN 6 24.849 10.558 4.195
45 HE22 GLN 6 HE22 GLN 6 26.037 10.254 3.021
46 H CYS 7 H CYS 7 22.583 5.010 5.940
47 HA CYS 7 HA CYS 7 23.679 2.776 4.521
48 HB2 CYS 7 HB3 CYS 7 21.757 3.148 6.750
49 HB3 CYS 7 HB2 CYS 7 21.600 1.645 5.848
50 H ALA 8 H ALA 8 20.411 4.181 4.640
51 HA ALA 8 HA ALA 8 19.266 2.413 2.796
52 HB1 ALA 8 HB1 ALA 8 18.660 5.246 3.584
53 HB2 ALA 8 HB2 ALA 8 17.800 3.780 4.048
54 HB3 ALA 8 HB3 ALA 8 17.670 4.393 2.398
55 H ALA 9 H ALA 9 20.744 5.565 2.259
56 HA ALA 9 HA ALA 9 20.320 5.614 -0.527
57 HB1 ALA 9 HB1 ALA 9 22.492 6.960 1.087
58 HB2 ALA 9 HB2 ALA 9 20.890 7.621 0.760
59 HB3 ALA 9 HB3 ALA 9 22.028 7.368 -0.564
60 H LEU 10 H LEU 10 22.828 4.192 1.482
61 HA LEU 10 HA LEU 10 24.709 3.714 -0.582
62 HB2 LEU 10 HB3 LEU 10 25.185 3.605 1.850
63 HB3 LEU 10 HB2 LEU 10 24.165 2.176 1.963
64 HG LEU 10 HG LEU 10 25.644 0.903 0.499
65 HD11 LEU 10 HD11 LEU 10 27.936 2.064 -0.020
66 HD12 LEU 10 HD12 LEU 10 27.028 3.566 0.165
67 HD13 LEU 10 HD13 LEU 10 26.562 2.391 -1.066
68 HD21 LEU 10 HD21 LEU 10 26.118 1.257 3.002
69 HD22 LEU 10 HD22 LEU 10 27.378 2.377 2.491
70 HD23 LEU 10 HD23 LEU 10 27.465 0.684 2.021
71 H TRP 11 H TRP 11 22.006 1.737 0.705
72 HA TRP 11 HA TRP 11 22.565 -0.370 -1.204
73 HB2 TRP 11 HB3 TRP 11 21.329 -1.513 0.319
74 HB3 TRP 11 HB2 TRP 11 20.921 -0.007 1.135
75 HD1 TRP 11 HD1 TRP 11 18.552 0.948 0.796
76 HE1 TRP 11 HE1 TRP 11 16.443 0.137 -0.430
77 HE3 TRP 11 HE3 TRP 11 20.586 -2.820 -1.949
78 HZ2 TRP 11 HZ2 TRP 11 15.732 -1.850 -2.380
79 HZ3 TRP 11 HZ3 TRP 11 19.183 -4.156 -3.490
80 HH2 TRP 11 HH2 TRP 11 16.760 -3.677 -3.710
81 H LEU 12 H LEU 12 20.225 2.278 -0.901
82 HA LEU 12 HA LEU 12 18.659 1.641 -3.139
83 HB2 LEU 12 HB3 LEU 12 18.321 3.384 -1.222
84 HB3 LEU 12 HB2 LEU 12 19.182 4.479 -2.292
85 HG LEU 12 HG LEU 12 17.433 3.523 -4.098
86 HD11 LEU 12 HD11 LEU 12 15.726 3.491 -1.602
87 HD12 LEU 12 HD12 LEU 12 16.469 2.014 -2.210
88 HD13 LEU 12 HD13 LEU 12 15.329 2.903 -3.218
89 HD21 LEU 12 HD21 LEU 12 15.968 5.452 -3.579
90 HD22 LEU 12 HD22 LEU 12 17.674 5.890 -3.486
91 HD23 LEU 12 HD23 LEU 12 16.751 5.615 -2.008
92 H GLN 13 H GLN 13 21.538 3.688 -2.825
93 HA GLN 13 HA GLN 13 21.570 4.660 -5.458
94 HB2 GLN 13 HB3 GLN 13 23.725 4.156 -3.416
95 HB3 GLN 13 HB2 GLN 13 24.069 4.845 -4.991
96 HG2 GLN 13 HG3 GLN 13 21.895 6.017 -3.274
97 HG3 GLN 13 HG2 GLN 13 23.573 6.469 -3.018
98 HE21 GLN 13 HE21 GLN 13 22.882 5.649 -6.285
99 HE22 GLN 13 HE22 GLN 13 22.744 7.231 -6.888
100 H CYS 14 H CYS 14 22.829 1.689 -4.020
101 HA CYS 14 HA CYS 14 24.293 0.759 -6.203
102 HB2 CYS 14 HB3 CYS 14 23.898 -0.218 -3.749
103 HB3 CYS 14 HB2 CYS 14 22.724 -1.219 -4.597
104 H ALA 15 H ALA 15 21.030 1.342 -6.031
105 HA ALA 15 HA ALA 15 20.053 -0.721 -7.716
106 HB1 ALA 15 HB1 ALA 15 18.043 0.543 -7.763
107 HB2 ALA 15 HB2 ALA 15 18.905 2.035 -7.382
108 HB3 ALA 15 HB3 ALA 15 18.734 0.780 -6.156
109 H SER 16 H SER 16 21.307 2.515 -8.247
110 HA SER 16 HA SER 16 21.077 2.140 -11.164
111 HB2 SER 16 HB3 SER 16 21.289 4.578 -9.424
112 HB3 SER 16 HB2 SER 16 21.646 4.658 -11.147
113 HG SER 16 HG SER 16 19.583 4.556 -11.526
114 H GLY 17 H GLY 17 23.326 2.703 -8.555
115 HA2 GLY 17 HA3 GLY 17 25.572 1.825 -8.682
116 HA3 GLY 17 HA2 GLY 17 25.584 2.197 -10.406
117 H GLY 18 H GLY 18 24.422 4.262 -7.773
118 HA2 GLY 18 HA3 GLY 18 26.653 6.139 -8.313
119 HA3 GLY 18 HA2 GLY 18 24.995 6.689 -8.203
120 H THR 19 H THR 19 27.078 4.570 -6.275
121 HA THR 19 HA THR 19 25.954 5.539 -3.806
122 HB THR 19 HB THR 19 27.200 3.837 -2.752
123 HG1 THR 19 HG1 THR 19 28.826 3.354 -4.970
124 HG21 THR 19 HG21 THR 19 26.843 1.845 -4.154
125 HG22 THR 19 HG22 THR 19 26.780 2.852 -5.600
126 HG23 THR 19 HG23 THR 19 25.501 2.970 -4.392
127 H ILE 20 H ILE 20 27.642 6.038 -2.018
128 HA ILE 20 HA ILE 20 29.014 8.435 -2.783
129 HB ILE 20 HB ILE 20 29.135 6.900 -0.171
130 HG12 ILE 20 HG13 ILE 20 27.323 9.214 -0.904
131 HG13 ILE 20 HG12 ILE 20 26.804 7.532 -0.992
132 HG21 ILE 20 HG21 ILE 20 29.632 9.194 0.727
133 HG22 ILE 20 HG22 ILE 20 29.734 9.772 -0.937
134 HG23 ILE 20 HG23 ILE 20 30.884 8.572 -0.347
135 HD11 ILE 20 HD11 ILE 20 27.453 7.277 1.425
136 HD12 ILE 20 HD12 ILE 20 26.122 8.403 1.161
137 HD13 ILE 20 HD13 ILE 20 27.745 9.016 1.479
138 H GLY 21 H GLY 21 29.864 5.099 -2.401
139 HA2 GLY 21 HA3 GLY 21 32.644 5.372 -1.953
140 HA3 GLY 21 HA2 GLY 21 31.855 3.955 -2.628
141 H CYS 22 H CYS 22 30.684 5.478 -4.825
142 HA CYS 22 HA CYS 22 31.186 5.774 -7.055
143 HB2 CYS 22 HB3 CYS 22 31.672 8.002 -6.346
144 HB3 CYS 22 HB2 CYS 22 33.226 7.515 -5.670
145 H GLY 23 H GLY 23 31.821 3.795 -7.811
146 HA2 GLY 23 HA3 GLY 23 33.820 3.067 -9.195
147 HA3 GLY 23 HA2 GLY 23 34.706 3.110 -7.676
148 H GLY 24 H GLY 24 32.769 1.255 -9.728
149 HA2 GLY 24 HA3 GLY 24 32.025 -0.922 -9.642
150 HA3 GLY 24 HA2 GLY 24 33.184 -1.152 -8.336
151 H GLY 25 H GLY 25 30.448 1.093 -8.347
152 HA2 GLY 25 HA3 GLY 25 29.576 0.475 -5.777
153 HA3 GLY 25 HA2 GLY 25 28.570 1.217 -7.015
154 H ALA 26 H ALA 26 29.527 -1.566 -8.402
155 HA ALA 26 HA ALA 26 27.010 -2.803 -8.178
156 HB1 ALA 26 HB1 ALA 26 28.325 -3.274 -10.111
157 HB2 ALA 26 HB2 ALA 26 28.229 -4.784 -9.206
158 HB3 ALA 26 HB3 ALA 26 29.692 -3.803 -9.131
159 H VAL 27 H VAL 27 30.130 -3.500 -6.705
160 HA VAL 27 HA VAL 27 29.266 -5.712 -5.142
161 HB VAL 27 HB VAL 27 31.401 -5.593 -4.098
162 HG11 VAL 27 HG11 VAL 27 31.406 -6.282 -6.448
163 HG12 VAL 27 HG12 VAL 27 32.909 -5.464 -6.021
164 HG13 VAL 27 HG13 VAL 27 31.667 -4.607 -6.933
165 HG21 VAL 27 HG21 VAL 27 32.877 -3.469 -4.776
166 HG22 VAL 27 HG22 VAL 27 31.849 -3.446 -3.349
167 HG23 VAL 27 HG23 VAL 27 31.296 -2.692 -4.841
168 H ALA 28 H ALA 28 28.973 -2.291 -4.758
169 HA ALA 28 HA ALA 28 28.864 -1.982 -1.990
170 HB1 ALA 28 HB1 ALA 28 27.670 -0.009 -2.382
171 HB2 ALA 28 HB2 ALA 28 26.958 -0.629 -3.862
172 HB3 ALA 28 HB3 ALA 28 28.668 -0.217 -3.808
173 H CYS 29 H CYS 29 26.526 -3.413 -4.168
174 HA CYS 29 HA CYS 29 24.274 -3.323 -2.544
175 HB2 CYS 29 HB3 CYS 29 25.197 -5.431 -4.487
176 HB3 CYS 29 HB2 CYS 29 23.614 -5.417 -3.729
177 H GLN 30 H GLN 30 26.770 -5.856 -2.792
178 HA GLN 30 HA GLN 30 25.619 -7.486 -0.777
179 HB2 GLN 30 HB3 GLN 30 27.431 -8.931 -1.096
180 HB3 GLN 30 HB2 GLN 30 27.435 -8.053 -2.616
181 HG2 GLN 30 HG3 GLN 30 29.073 -6.428 -1.314
182 HG3 GLN 30 HG2 GLN 30 29.322 -7.816 -0.287
183 HE21 GLN 30 HE21 GLN 30 29.061 -9.738 -2.592
184 HE22 GLN 30 HE22 GLN 30 30.490 -9.539 -3.487
185 H ASN 31 H ASN 31 27.869 -4.868 -0.710
186 HA ASN 31 HA ASN 31 29.035 -5.253 1.802
187 HB2 ASN 31 HB3 ASN 31 28.529 -2.836 0.056
188 HB3 ASN 31 HB2 ASN 31 29.349 -2.734 1.594
189 HD21 ASN 31 HD21 ASN 31 29.773 -4.021 -1.705
190 HD22 ASN 31 HD22 ASN 31 31.369 -4.579 -1.500
191 H TYR 32 H TYR 32 26.002 -3.936 0.837
192 HA TYR 32 HA TYR 32 25.238 -2.656 3.223
193 HB2 TYR 32 HB3 TYR 32 23.915 -2.345 1.240
194 HB3 TYR 32 HB2 TYR 32 23.629 -4.080 1.120
195 HD1 TYR 32 HD2 TYR 32 22.344 -5.255 2.851
196 HD2 TYR 32 HD1 TYR 32 22.511 -0.973 2.679
197 HE1 TYR 32 HE2 TYR 32 20.391 -5.154 4.294
198 HE2 TYR 32 HE1 TYR 32 20.515 -0.853 4.142
199 HH TYR 32 HH TYR 32 19.404 -3.380 5.952
200 H ARG 33 H ARG 33 24.937 -6.076 2.235
201 HA ARG 33 HA ARG 33 23.447 -6.865 4.506
202 HB2 ARG 33 HB3 ARG 33 24.561 -8.149 2.215
203 HB3 ARG 33 HB2 ARG 33 25.193 -9.022 3.614
204 HG2 ARG 33 HG3 ARG 33 23.151 -10.111 3.070
205 HG3 ARG 33 HG2 ARG 33 22.800 -9.120 4.486
206 HD2 ARG 33 HD3 ARG 33 21.059 -9.020 2.583
207 HD3 ARG 33 HD2 ARG 33 21.649 -7.463 3.165
208 HE ARG 33 HE ARG 33 23.055 -8.621 0.874
209 HH11 ARG 33 HH21 ARG 33 20.644 -6.437 2.087
210 HH12 ARG 33 HH22 ARG 33 20.642 -5.446 0.667
211 HH21 ARG 33 HH11 ARG 33 23.059 -7.316 -0.966
212 HH22 ARG 33 HH12 ARG 33 22.006 -5.945 -1.059
213 H GLN 34 H GLN 34 26.886 -6.700 3.847
214 HA GLN 34 HA GLN 34 27.750 -7.882 6.298
215 HB2 GLN 34 HB3 GLN 34 29.281 -5.863 4.687
216 HB3 GLN 34 HB2 GLN 34 29.917 -7.197 5.640
217 HG2 GLN 34 HG3 GLN 34 28.885 -8.808 4.098
218 HG3 GLN 34 HG2 GLN 34 28.236 -7.484 3.142
219 HE21 GLN 34 HE21 GLN 34 29.457 -6.970 1.381
220 HE22 GLN 34 HE22 GLN 34 31.145 -7.184 1.258
221 H PHE 35 H PHE 35 27.176 -4.522 5.294
222 HA PHE 35 HA PHE 35 28.036 -3.544 7.926
223 HB2 PHE 35 HB3 PHE 35 27.180 -2.194 5.376
224 HB3 PHE 35 HB2 PHE 35 27.327 -1.280 6.873
225 HD1 PHE 35 HD2 PHE 35 29.675 -1.979 8.238
226 HD2 PHE 35 HD1 PHE 35 29.075 -2.100 3.958
227 HE1 PHE 35 HE2 PHE 35 32.110 -1.850 7.879
228 HE2 PHE 35 HE1 PHE 35 31.515 -1.980 3.629
229 HZ PHE 35 HZ PHE 35 33.037 -1.853 5.580
230 H CYS 36 H CYS 36 25.100 -3.297 5.896
231 HA CYS 36 HA CYS 36 23.564 -2.804 8.345
232 HB2 CYS 36 HB3 CYS 36 23.214 -2.108 5.453
233 HB3 CYS 36 HB2 CYS 36 21.783 -2.258 6.468
234 H ARG 37 H ARG 37 22.933 -4.690 9.199
235 HA ARG 37 HA ARG 37 22.413 -7.047 7.678
236 HB2 ARG 37 HB3 ARG 37 23.090 -7.082 10.068
237 HB3 ARG 37 HB2 ARG 37 21.534 -6.374 10.499
238 HG2 ARG 37 HG3 ARG 37 20.375 -8.322 9.500
239 HG3 ARG 37 HG2 ARG 37 21.937 -9.033 9.091
240 HD2 ARG 37 HD3 ARG 37 21.085 -8.307 11.905
241 HD3 ARG 37 HD2 ARG 37 20.955 -9.925 11.222
242 HE ARG 37 HE ARG 37 23.401 -8.580 12.055
243 HH11 ARG 37 HH21 ARG 37 21.908 -11.123 10.240
244 HH12 ARG 37 HH22 ARG 37 23.327 -12.116 10.203
245 HH21 ARG 37 HH11 ARG 37 25.263 -9.878 12.009
246 HH22 ARG 37 HH12 ARG 37 25.226 -11.411 11.205
247 H2 BGC 101 H2 GLC 0 34.618 8.053 -10.033
248 H3 BGC 101 H3 GLC 0 36.180 5.593 -9.048
249 H4 BGC 101 H4 GLC 0 37.109 8.515 -9.171
250 H5 BGC 101 H5 GLC 0 36.407 6.809 -6.687
251 H6C1 BGC 101 H61 GLC 0 37.460 8.346 -5.430
252 H6C2 BGC 101 H62 GLC 0 38.126 9.070 -6.910
253 H1 BGC 101 H1 GLC 0 34.162 6.350 -7.481
254 HB BGC 101 HO2 GLC 0 32.956 6.441 -10.026
255 HC BGC 101 HO3 GLC 0 37.461 6.016 -10.738
256 HD BGC 101 HO4 GLC 0 38.963 7.579 -8.937
257 H6 BGC 101 HO6 GLC 0 36.438 10.116 -5.214
Contact the webmaster for help, if required. Friday, May 31, 2024 11:18:10 PM GMT (wattos1)