Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
603552 | 2nc4 RC | 26006 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -11.981 -4.494 3.487
2 H2 LYS 1 H2 LYS 1 -11.606 -5.345 4.830
3 H3 LYS 1 H3 LYS 1 -11.011 -5.813 3.380
4 HA LYS 1 HA LYS 1 -10.379 -3.303 4.790
5 HB2 LYS 1 HB2 LYS 1 -9.384 -5.344 5.845
6 HB3 LYS 1 HB3 LYS 1 -8.534 -5.682 4.338
7 HG2 LYS 1 HG2 LYS 1 -7.449 -3.347 4.586
8 HG3 LYS 1 HG3 LYS 1 -8.222 -3.261 6.166
9 HD2 LYS 1 HD2 LYS 1 -5.991 -3.965 6.553
10 HD3 LYS 1 HD3 LYS 1 -6.990 -5.408 6.786
11 HE2 LYS 1 HE2 LYS 1 -6.407 -6.155 4.466
12 HE3 LYS 1 HE3 LYS 1 -5.447 -4.684 4.249
13 HZ1 LYS 1 HZ1 LYS 1 -4.030 -5.449 6.098
14 HZ2 LYS 1 HZ2 LYS 1 -4.881 -6.844 6.200
15 HZ3 LYS 1 HZ3 LYS 1 -4.016 -6.504 4.850
16 H LEU 2 H LEU 2 -8.814 -5.300 2.243
17 HA LEU 2 HA LEU 2 -8.470 -2.860 0.564
18 HB2 LEU 2 HB2 LEU 2 -6.770 -5.339 0.980
19 HB3 LEU 2 HB3 LEU 2 -6.506 -4.226 -0.366
20 HG LEU 2 HG LEU 2 -6.444 -3.275 2.514
21 HD11 LEU 2 HD11 LEU 2 -4.117 -4.149 0.759
22 HD12 LEU 2 HD12 LEU 2 -4.002 -3.412 2.375
23 HD13 LEU 2 HD13 LEU 2 -4.727 -5.017 2.184
24 HD21 LEU 2 HD21 LEU 2 -5.245 -2.140 -0.043
25 HD22 LEU 2 HD22 LEU 2 -6.722 -1.528 0.733
26 HD23 LEU 2 HD23 LEU 2 -5.174 -1.406 1.572
27 HA PRO 3 HA PRO 3 -10.761 -4.782 -2.682
28 HB2 PRO 3 HB2 PRO 3 -8.814 -4.039 -4.790
29 HB3 PRO 3 HB3 PRO 3 -10.485 -3.466 -4.540
30 HG2 PRO 3 HG2 PRO 3 -8.279 -1.899 -4.055
31 HG3 PRO 3 HG3 PRO 3 -9.800 -1.760 -3.105
32 HD2 PRO 3 HD2 PRO 3 -7.258 -3.230 -2.409
33 HD3 PRO 3 HD3 PRO 3 -8.255 -2.150 -1.391
34 HA PRO 4 HA PRO 4 -9.601 -8.824 -3.747
35 HB2 PRO 4 HB2 PRO 4 -9.873 -8.261 -6.709
36 HB3 PRO 4 HB3 PRO 4 -10.498 -9.650 -5.759
37 HG2 PRO 4 HG2 PRO 4 -12.153 -7.609 -6.375
38 HG3 PRO 4 HG3 PRO 4 -12.155 -8.266 -4.703
39 HD2 PRO 4 HD2 PRO 4 -10.772 -5.783 -5.749
40 HD3 PRO 4 HD3 PRO 4 -11.731 -6.000 -4.251
41 H GLY 5 H GLY 5 -7.703 -9.738 -3.532
42 HA2 GLY 5 HA2 GLY 5 -5.602 -10.556 -4.040
43 HA3 GLY 5 HA3 GLY 5 -5.544 -9.531 -5.488
44 H TRP 6 H TRP 6 -6.189 -7.189 -3.374
45 HA TRP 6 HA TRP 6 -3.386 -6.431 -3.096
46 HB2 TRP 6 HB2 TRP 6 -5.955 -5.080 -2.308
47 HB3 TRP 6 HB3 TRP 6 -4.353 -4.387 -2.022
48 HD1 TRP 6 HD1 TRP 6 -6.879 -5.046 -4.753
49 HE1 TRP 6 HE1 TRP 6 -6.264 -3.748 -6.879
50 HE3 TRP 6 HE3 TRP 6 -2.149 -3.638 -3.441
51 HZ2 TRP 6 HZ2 TRP 6 -3.866 -2.608 -8.005
52 HZ3 TRP 6 HZ3 TRP 6 -0.684 -2.491 -5.094
53 HH2 TRP 6 HH2 TRP 6 -1.523 -1.970 -7.372
54 H GLU 7 H GLU 7 -2.109 -6.338 -1.367
55 HA GLU 7 HA GLU 7 -3.162 -6.389 1.358
56 HB2 GLU 7 HB2 GLU 7 -2.984 -8.754 0.934
57 HB3 GLU 7 HB3 GLU 7 -1.385 -8.569 0.241
58 HG2 GLU 7 HG2 GLU 7 -1.330 -9.656 2.404
59 HG3 GLU 7 HG3 GLU 7 -0.389 -8.182 2.379
60 H LYS 8 H LYS 8 -1.589 -5.674 2.945
61 HA LYS 8 HA LYS 8 0.315 -3.721 1.922
62 HB2 LYS 8 HB2 LYS 8 -0.335 -4.708 4.707
63 HB3 LYS 8 HB3 LYS 8 1.046 -3.641 4.399
64 HG2 LYS 8 HG2 LYS 8 -0.390 -1.952 3.368
65 HG3 LYS 8 HG3 LYS 8 -1.795 -3.021 3.534
66 HD2 LYS 8 HD2 LYS 8 -1.929 -1.405 5.291
67 HD3 LYS 8 HD3 LYS 8 -1.479 -2.943 6.041
68 HE2 LYS 8 HE2 LYS 8 0.929 -2.185 6.044
69 HE3 LYS 8 HE3 LYS 8 0.419 -0.658 5.317
70 HZ1 LYS 8 HZ1 LYS 8 -0.459 -1.652 7.976
71 HZ2 LYS 8 HZ2 LYS 8 0.638 -0.470 7.729
72 HZ3 LYS 8 HZ3 LYS 8 -0.922 -0.234 7.307
73 H ARG 9 H ARG 9 2.427 -3.621 1.955
74 HA ARG 9 HA ARG 9 4.144 -5.978 2.517
75 HB2 ARG 9 HB2 ARG 9 3.170 -6.098 0.165
76 HB3 ARG 9 HB3 ARG 9 4.073 -4.633 -0.226
77 HG2 ARG 9 HG2 ARG 9 6.187 -5.790 0.086
78 HG3 ARG 9 HG3 ARG 9 5.368 -7.190 0.829
79 HD2 ARG 9 HD2 ARG 9 4.237 -7.692 -1.297
80 HD3 ARG 9 HD3 ARG 9 5.000 -6.267 -2.047
81 HE ARG 9 HE ARG 9 6.932 -8.112 -0.883
82 HH11 ARG 9 HH11 ARG 9 8.380 -9.125 -2.213
83 HH12 ARG 9 HH12 ARG 9 8.054 -9.256 -3.920
84 HH21 ARG 9 HH21 ARG 9 5.042 -7.636 -3.809
85 HH22 ARG 9 HH22 ARG 9 6.234 -8.424 -4.799
86 H MET 10 H MET 10 6.546 -5.321 2.159
87 HA MET 10 HA MET 10 7.045 -2.464 2.683
88 HB2 MET 10 HB2 MET 10 6.260 -3.483 4.854
89 HB3 MET 10 HB3 MET 10 7.639 -4.583 4.784
90 HG2 MET 10 HG2 MET 10 9.154 -2.546 4.785
91 HG3 MET 10 HG3 MET 10 7.710 -1.552 4.958
92 HE1 MET 10 HE1 MET 10 10.322 -3.841 6.612
93 HE2 MET 10 HE2 MET 10 9.605 -4.262 8.182
94 HE3 MET 10 HE3 MET 10 8.943 -4.963 6.692
95 H PHE 11 H PHE 11 9.001 -1.808 2.190
96 HA PHE 11 HA PHE 11 10.935 -3.537 0.895
97 HB2 PHE 11 HB2 PHE 11 10.893 -0.589 1.554
98 HB3 PHE 11 HB3 PHE 11 12.212 -1.373 0.683
99 HD1 PHE 11 HD1 PHE 11 11.653 -2.634 -1.519
100 HD2 PHE 11 HD2 PHE 11 9.003 0.215 0.343
101 HE1 PHE 11 HE1 PHE 11 10.495 -2.276 -3.687
102 HE2 PHE 11 HE2 PHE 11 7.873 0.586 -1.809
103 HZ PHE 11 HZ PHE 11 8.610 -0.656 -3.845
104 H ALA 12 H ALA 12 13.250 -3.589 1.379
105 HA ALA 12 HA ALA 12 13.803 -4.497 4.006
106 HB1 ALA 12 HB1 ALA 12 16.126 -4.623 3.185
107 HB2 ALA 12 HB2 ALA 12 14.986 -5.223 1.966
108 HB3 ALA 12 HB3 ALA 12 15.705 -3.602 1.794
109 H ASN 13 H ASN 13 13.923 -1.235 2.774
110 HA ASN 13 HA ASN 13 15.550 -0.161 4.974
111 HB2 ASN 13 HB2 ASN 13 15.134 2.009 3.895
112 HB3 ASN 13 HB3 ASN 13 15.731 0.803 2.744
113 HD21 ASN 13 HD21 ASN 13 14.865 2.406 1.182
114 H GLY 14 H GLY 14 12.385 -1.253 4.930
115 HA2 GLY 14 HA2 GLY 14 10.857 -1.121 6.683
116 HA3 GLY 14 HA3 GLY 14 11.660 0.323 7.322
117 H THR 15 H THR 15 10.787 0.356 3.918
118 HA THR 15 HA THR 15 8.704 2.414 4.423
119 HB THR 15 HB THR 15 9.999 1.436 1.856
120 HG1 THR 15 HG1 THR 15 11.438 2.423 3.108
121 HG21 THR 15 HG21 THR 15 7.887 2.416 1.282
122 HG22 THR 15 HG22 THR 15 8.171 3.797 2.379
123 HG23 THR 15 HG23 THR 15 9.158 3.586 0.912
124 H VAL 16 H VAL 16 6.570 1.957 4.321
125 HA VAL 16 HA VAL 16 5.683 -0.754 3.478
126 HB VAL 16 HB VAL 16 4.393 1.499 5.058
127 HG11 VAL 16 HG11 VAL 16 2.551 0.469 3.813
128 HG12 VAL 16 HG12 VAL 16 3.114 -1.157 4.278
129 HG13 VAL 16 HG13 VAL 16 2.498 -0.021 5.502
130 HG21 VAL 16 HG21 VAL 16 4.389 -0.167 6.876
131 HG22 VAL 16 HG22 VAL 16 5.126 -1.368 5.800
132 HG23 VAL 16 HG23 VAL 16 6.038 0.086 6.275
133 H TYR 17 H TYR 17 4.187 -1.142 1.933
134 HA TYR 17 HA TYR 17 2.874 0.988 0.387
135 HB2 TYR 17 HB2 TYR 17 3.826 0.344 -1.724
136 HB3 TYR 17 HB3 TYR 17 5.131 0.762 -0.651
137 HD1 TYR 17 HD1 TYR 17 6.535 -1.109 0.409
138 HD2 TYR 17 HD2 TYR 17 3.750 -1.771 -2.819
139 HE1 TYR 17 HE1 TYR 17 7.803 -3.135 -0.277
140 HE2 TYR 17 HE2 TYR 17 4.995 -3.828 -3.470
141 HH TYR 17 HH TYR 17 8.055 -4.741 -1.873
142 H TYR 18 H TYR 18 1.663 -0.277 -1.518
143 HA TYR 18 HA TYR 18 0.300 -2.660 -0.331
144 HB2 TYR 18 HB2 TYR 18 -0.783 -0.534 -2.208
145 HB3 TYR 18 HB3 TYR 18 -1.664 -1.945 -1.607
146 HD1 TYR 18 HD1 TYR 18 -2.377 -2.097 0.761
147 HD2 TYR 18 HD2 TYR 18 -0.350 1.391 -0.766
148 HE1 TYR 18 HE1 TYR 18 -3.045 -0.819 2.792
149 HE2 TYR 18 HE2 TYR 18 -1.002 2.663 1.279
150 HH TYR 18 HH TYR 18 -2.966 1.183 3.875
151 H PHE 19 H PHE 19 0.090 -4.493 -1.517
152 HA PHE 19 HA PHE 19 1.088 -4.529 -4.329
153 HB2 PHE 19 HB2 PHE 19 2.975 -5.029 -2.949
154 HB3 PHE 19 HB3 PHE 19 2.057 -6.232 -2.032
155 HD1 PHE 19 HD1 PHE 19 3.246 -5.373 -5.439
156 HD2 PHE 19 HD2 PHE 19 1.968 -8.551 -2.814
157 HE1 PHE 19 HE1 PHE 19 3.827 -7.008 -7.166
158 HE2 PHE 19 HE2 PHE 19 2.634 -10.216 -4.527
159 HZ PHE 19 HZ PHE 19 3.553 -9.467 -6.715
160 H ASN 20 H ASN 20 0.051 -5.801 -5.736
161 HA ASN 20 HA ASN 20 -2.235 -7.392 -4.713
162 HB2 ASN 20 HB2 ASN 20 -2.526 -5.598 -6.467
163 HB3 ASN 20 HB3 ASN 20 -1.628 -6.640 -7.583
164 HD21 ASN 20 HD21 ASN 20 -4.684 -5.775 -6.837
165 HD22 ASN 20 HD22 ASN 20 -5.524 -7.285 -7.123
166 H HIS 21 H HIS 21 -1.874 -9.499 -4.349
167 HA HIS 21 HA HIS 21 0.470 -10.844 -5.414
168 HB2 HIS 21 HB2 HIS 21 0.041 -12.477 -3.898
169 HB3 HIS 21 HB3 HIS 21 -0.771 -11.124 -3.116
170 HD2 HIS 21 HD2 HIS 21 -3.402 -11.354 -2.726
171 HE1 HIS 21 HE1 HIS 21 -3.917 -15.247 -4.385
172 HE2 HIS 21 HE2 HIS 21 -5.030 -13.403 -3.027
173 H ILE 22 H ILE 22 -2.793 -10.565 -6.568
174 HA ILE 22 HA ILE 22 -2.780 -13.006 -8.192
175 HB ILE 22 HB ILE 22 -4.717 -10.643 -8.111
176 HG12 ILE 22 HG12 ILE 22 -4.722 -13.302 -6.595
177 HG13 ILE 22 HG13 ILE 22 -4.578 -11.681 -5.905
178 HG21 ILE 22 HG21 ILE 22 -6.312 -12.180 -9.190
179 HG22 ILE 22 HG22 ILE 22 -4.893 -11.976 -10.192
180 HG23 ILE 22 HG23 ILE 22 -5.074 -13.459 -9.227
181 HD11 ILE 22 HD11 ILE 22 -6.908 -11.180 -6.736
182 HD12 ILE 22 HD12 ILE 22 -7.056 -12.908 -7.147
183 HD13 ILE 22 HD13 ILE 22 -6.785 -12.419 -5.469
184 H THR 23 H THR 23 -2.438 -9.513 -8.682
185 HA THR 23 HA THR 23 -1.961 -9.891 -11.588
186 HB THR 23 HB THR 23 -2.772 -7.741 -11.969
187 HG1 THR 23 HG1 THR 23 -3.440 -6.639 -9.856
188 HG21 THR 23 HG21 THR 23 -4.512 -8.685 -9.650
189 HG22 THR 23 HG22 THR 23 -4.977 -7.663 -11.024
190 HG23 THR 23 HG23 THR 23 -4.578 -9.369 -11.291
191 H ASN 24 H ASN 24 -0.095 -9.269 -8.886
192 HA ASN 24 HA ASN 24 1.931 -8.505 -8.451
193 HB2 ASN 24 HB2 ASN 24 2.523 -8.787 -11.414
194 HB3 ASN 24 HB3 ASN 24 3.716 -8.594 -10.122
195 HD21 ASN 24 HD21 ASN 24 2.245 -10.903 -12.022
196 HD22 ASN 24 HD22 ASN 24 2.537 -12.287 -10.963
197 H ALA 25 H ALA 25 -0.281 -6.540 -9.493
198 HA ALA 25 HA ALA 25 1.180 -4.135 -10.146
199 HB1 ALA 25 HB1 ALA 25 -0.946 -3.020 -9.635
200 HB2 ALA 25 HB2 ALA 25 -1.223 -4.458 -10.635
201 HB3 ALA 25 HB3 ALA 25 -1.572 -4.505 -8.892
202 H SER 26 H SER 26 1.520 -2.277 -8.765
203 HA SER 26 HA SER 26 1.530 -2.709 -5.848
204 HB2 SER 26 HB2 SER 26 3.829 -1.971 -5.567
205 HB3 SER 26 HB3 SER 26 3.731 -3.490 -6.461
206 HG SER 26 HG SER 26 4.141 -2.400 -8.355
207 H GLN 27 H GLN 27 1.483 -0.810 -4.609
208 HA GLN 27 HA GLN 27 1.556 1.836 -5.941
209 HB2 GLN 27 HB2 GLN 27 -0.899 0.710 -4.523
210 HB3 GLN 27 HB3 GLN 27 -0.578 2.440 -4.709
211 HG2 GLN 27 HG2 GLN 27 -0.517 2.198 -7.149
212 HG3 GLN 27 HG3 GLN 27 -0.973 0.489 -6.987
213 HE21 GLN 27 HE21 GLN 27 -2.586 2.544 -4.619
214 HE22 GLN 27 HE22 GLN 27 -4.050 2.766 -5.584
215 H PHE 28 H PHE 28 2.201 3.485 -4.677
216 HA PHE 28 HA PHE 28 2.900 2.983 -1.876
217 HB2 PHE 28 HB2 PHE 28 3.339 5.322 -3.716
218 HB3 PHE 28 HB3 PHE 28 3.628 5.422 -1.977
219 HD1 PHE 28 HD1 PHE 28 4.910 4.117 -5.145
220 HD2 PHE 28 HD2 PHE 28 5.340 3.999 -0.854
221 HE1 PHE 28 HE1 PHE 28 7.186 3.152 -5.399
222 HE2 PHE 28 HE2 PHE 28 7.620 3.048 -1.114
223 HZ PHE 28 HZ PHE 28 8.547 2.624 -3.383
224 H GLU 29 H GLU 29 0.146 4.127 -3.458
225 HA GLU 29 HA GLU 29 -1.009 5.271 -0.957
226 HB2 GLU 29 HB2 GLU 29 -0.957 6.961 -2.619
227 HB3 GLU 29 HB3 GLU 29 -1.477 5.856 -3.879
228 HG2 GLU 29 HG2 GLU 29 -3.215 7.423 -3.399
229 HG3 GLU 29 HG3 GLU 29 -3.741 5.795 -3.012
230 H ARG 30 H ARG 30 -3.072 4.671 -0.324
231 HA ARG 30 HA ARG 30 -3.554 1.907 -0.409
232 HB2 ARG 30 HB2 ARG 30 -4.104 3.284 1.457
233 HB3 ARG 30 HB3 ARG 30 -5.302 4.193 0.548
234 HG2 ARG 30 HG2 ARG 30 -5.632 1.198 0.759
235 HG3 ARG 30 HG3 ARG 30 -5.937 2.172 2.203
236 HD2 ARG 30 HD2 ARG 30 -7.834 3.142 1.379
237 HD3 ARG 30 HD3 ARG 30 -7.234 3.199 -0.271
238 HE ARG 30 HE ARG 30 -8.120 1.154 -0.752
239 HH11 ARG 30 HH11 ARG 30 -9.187 -0.100 2.865
240 HH12 ARG 30 HH12 ARG 30 -8.175 1.328 2.769
241 HH21 ARG 30 HH21 ARG 30 -9.569 -0.462 -0.500
242 HH22 ARG 30 HH22 ARG 30 -9.909 -1.078 1.116
243 HA PRO 31 HA PRO 31 -5.517 1.695 -4.383
244 HB2 PRO 31 HB2 PRO 31 -5.844 -1.001 -4.644
245 HB3 PRO 31 HB3 PRO 31 -4.226 -0.228 -4.592
246 HG2 PRO 31 HG2 PRO 31 -5.761 -1.475 -2.284
247 HG3 PRO 31 HG3 PRO 31 -4.070 -1.809 -2.783
248 HD2 PRO 31 HD2 PRO 31 -4.607 -0.055 -0.809
249 HD3 PRO 31 HD3 PRO 31 -3.321 0.280 -2.006
250 H SER 32 H SER 32 -7.448 1.224 -5.505
251 HA SER 32 HA SER 32 -9.854 0.539 -3.866
252 HB2 SER 32 HB2 SER 32 -9.540 3.005 -4.076
253 HB3 SER 32 HB3 SER 32 -9.674 2.840 -5.835
254 HG SER 32 HG SER 32 -11.746 1.830 -5.418
255 H GLY 33 H GLY 33 -8.131 -0.701 -6.254
256 HA2 GLY 33 HA2 GLY 33 -9.957 -2.504 -7.263
257 HA3 GLY 33 HA3 GLY 33 -10.075 -1.149 -8.386
258 H1 GAL 101 H1 GAL 34 11.989 1.819 0.628
259 H2 GAL 101 H2 GAL 34 13.670 4.151 -0.440
260 H3 GAL 101 H3 GAL 34 10.739 3.386 -0.876
261 H4 GAL 101 H4 GAL 34 11.357 2.858 -3.177
262 H5 GAL 101 H5 GAL 34 11.596 0.979 -1.659
263 H61 GAL 101 H61 GAL 34 12.384 0.353 -3.853
264 H62 GAL 101 H62 GAL 34 13.958 1.135 -3.584
265 HO2 GAL 101 H2O GAL 34 11.654 4.014 1.590
266 HO3 GAL 101 H3O GAL 34 11.357 5.685 -0.922
267 HO4 GAL 101 H4O GAL 34 13.087 4.468 -3.152
268 HO6 GAL 101 H6O GAL 34 14.079 -0.323 -1.682
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -10.557 -6.332 3.782
2 H2 LYS 1 H2 LYS 1 -11.529 -5.041 4.059
3 H3 LYS 1 H3 LYS 1 -11.052 -5.985 5.302
4 HA LYS 1 HA LYS 1 -9.850 -3.926 5.331
5 HB2 LYS 1 HB2 LYS 1 -8.762 -5.999 6.178
6 HB3 LYS 1 HB3 LYS 1 -8.041 -6.263 4.593
7 HG2 LYS 1 HG2 LYS 1 -6.903 -3.969 4.853
8 HG3 LYS 1 HG3 LYS 1 -7.566 -3.920 6.486
9 HD2 LYS 1 HD2 LYS 1 -5.335 -4.671 6.717
10 HD3 LYS 1 HD3 LYS 1 -6.332 -6.117 6.941
11 HE2 LYS 1 HE2 LYS 1 -5.896 -6.748 4.549
12 HE3 LYS 1 HE3 LYS 1 -4.925 -5.280 4.361
13 HZ1 LYS 1 HZ1 LYS 1 -4.290 -7.555 6.155
14 HZ2 LYS 1 HZ2 LYS 1 -3.489 -7.146 4.784
15 HZ3 LYS 1 HZ3 LYS 1 -3.426 -6.167 6.090
16 H LEU 2 H LEU 2 -8.385 -5.693 2.574
17 HA LEU 2 HA LEU 2 -8.154 -3.142 1.060
18 HB2 LEU 2 HB2 LEU 2 -6.525 -5.699 1.241
19 HB3 LEU 2 HB3 LEU 2 -6.354 -4.624 -0.146
20 HG LEU 2 HG LEU 2 -6.014 -3.572 2.673
21 HD11 LEU 2 HD11 LEU 2 -3.841 -4.616 0.819
22 HD12 LEU 2 HD12 LEU 2 -3.611 -3.855 2.408
23 HD13 LEU 2 HD13 LEU 2 -4.405 -5.436 2.289
24 HD21 LEU 2 HD21 LEU 2 -6.335 -1.975 0.725
25 HD22 LEU 2 HD22 LEU 2 -4.796 -1.797 1.570
26 HD23 LEU 2 HD23 LEU 2 -4.864 -2.640 0.006
27 HA PRO 3 HA PRO 3 -10.680 -4.758 -2.217
28 HB2 PRO 3 HB2 PRO 3 -8.805 -3.919 -4.351
29 HB3 PRO 3 HB3 PRO 3 -10.446 -3.319 -3.983
30 HG2 PRO 3 HG2 PRO 3 -8.167 -1.852 -3.497
31 HG3 PRO 3 HG3 PRO 3 -9.646 -1.727 -2.482
32 HD2 PRO 3 HD2 PRO 3 -7.124 -3.304 -1.971
33 HD3 PRO 3 HD3 PRO 3 -8.067 -2.273 -0.854
34 HA PRO 4 HA PRO 4 -9.668 -8.745 -3.549
35 HB2 PRO 4 HB2 PRO 4 -10.048 -8.018 -6.464
36 HB3 PRO 4 HB3 PRO 4 -10.672 -9.439 -5.561
37 HG2 PRO 4 HG2 PRO 4 -12.291 -7.324 -5.998
38 HG3 PRO 4 HG3 PRO 4 -12.242 -8.070 -4.364
39 HD2 PRO 4 HD2 PRO 4 -10.833 -5.571 -5.337
40 HD3 PRO 4 HD3 PRO 4 -11.733 -5.844 -3.812
41 H GLY 5 H GLY 5 -7.779 -9.686 -3.425
42 HA2 GLY 5 HA2 GLY 5 -5.742 -10.564 -4.081
43 HA3 GLY 5 HA3 GLY 5 -5.723 -9.487 -5.491
44 H TRP 6 H TRP 6 -6.165 -7.215 -3.247
45 HA TRP 6 HA TRP 6 -3.332 -6.548 -3.142
46 HB2 TRP 6 HB2 TRP 6 -5.800 -5.166 -2.136
47 HB3 TRP 6 HB3 TRP 6 -4.166 -4.521 -1.920
48 HD1 TRP 6 HD1 TRP 6 -6.898 -4.979 -4.477
49 HE1 TRP 6 HE1 TRP 6 -6.401 -3.600 -6.584
50 HE3 TRP 6 HE3 TRP 6 -2.026 -3.809 -3.491
51 HZ2 TRP 6 HZ2 TRP 6 -4.053 -2.502 -7.850
52 HZ3 TRP 6 HZ3 TRP 6 -0.651 -2.637 -5.200
53 HH2 TRP 6 HH2 TRP 6 -1.645 -1.981 -7.380
54 H GLU 7 H GLU 7 -1.938 -6.462 -1.474
55 HA GLU 7 HA GLU 7 -2.837 -6.769 1.306
56 HB2 GLU 7 HB2 GLU 7 -2.505 -9.062 0.686
57 HB3 GLU 7 HB3 GLU 7 -0.978 -8.696 -0.093
58 HG2 GLU 7 HG2 GLU 7 -0.655 -9.919 1.962
59 HG3 GLU 7 HG3 GLU 7 0.130 -8.356 2.008
60 H LYS 8 H LYS 8 -1.362 -5.993 2.864
61 HA LYS 8 HA LYS 8 0.451 -3.883 1.947
62 HB2 LYS 8 HB2 LYS 8 -0.399 -4.896 4.665
63 HB3 LYS 8 HB3 LYS 8 1.042 -3.880 4.508
64 HG2 LYS 8 HG2 LYS 8 -0.243 -2.133 3.352
65 HG3 LYS 8 HG3 LYS 8 -1.702 -3.139 3.457
66 HD2 LYS 8 HD2 LYS 8 -1.825 -1.473 5.180
67 HD3 LYS 8 HD3 LYS 8 -1.535 -3.033 5.966
68 HE2 LYS 8 HE2 LYS 8 0.897 -2.467 6.148
69 HE3 LYS 8 HE3 LYS 8 0.592 -0.930 5.333
70 HZ1 LYS 8 HZ1 LYS 8 -0.848 -0.303 7.193
71 HZ2 LYS 8 HZ2 LYS 8 -0.577 -1.730 7.945
72 HZ3 LYS 8 HZ3 LYS 8 0.644 -0.666 7.746
73 H ARG 9 H ARG 9 2.520 -3.730 1.923
74 HA ARG 9 HA ARG 9 4.332 -5.997 2.681
75 HB2 ARG 9 HB2 ARG 9 4.600 -4.312 0.180
76 HB3 ARG 9 HB3 ARG 9 5.574 -5.709 0.620
77 HG2 ARG 9 HG2 ARG 9 2.721 -5.637 -0.402
78 HG3 ARG 9 HG3 ARG 9 4.170 -6.246 -1.214
79 HD2 ARG 9 HD2 ARG 9 2.577 -7.542 0.998
80 HD3 ARG 9 HD3 ARG 9 2.925 -8.136 -0.619
81 HE ARG 9 HE ARG 9 5.231 -8.554 0.024
82 HH11 ARG 9 HH11 ARG 9 3.095 -8.034 2.795
83 HH12 ARG 9 HH12 ARG 9 4.082 -9.054 3.811
84 HH21 ARG 9 HH21 ARG 9 6.450 -9.730 1.427
85 HH22 ARG 9 HH22 ARG 9 5.929 -9.944 3.075
86 H MET 10 H MET 10 6.671 -5.208 2.627
87 HA MET 10 HA MET 10 7.074 -2.348 3.035
88 HB2 MET 10 HB2 MET 10 6.249 -3.193 5.273
89 HB3 MET 10 HB3 MET 10 7.667 -4.244 5.338
90 HG2 MET 10 HG2 MET 10 9.109 -2.158 5.155
91 HG3 MET 10 HG3 MET 10 7.628 -1.207 5.209
92 HE1 MET 10 HE1 MET 10 8.973 -4.374 7.287
93 HE2 MET 10 HE2 MET 10 10.303 -3.206 7.113
94 HE3 MET 10 HE3 MET 10 9.580 -3.503 8.709
95 H PHE 11 H PHE 11 9.037 -1.718 2.491
96 HA PHE 11 HA PHE 11 11.027 -3.549 1.449
97 HB2 PHE 11 HB2 PHE 11 10.931 -0.548 1.787
98 HB3 PHE 11 HB3 PHE 11 12.299 -1.400 1.063
99 HD1 PHE 11 HD1 PHE 11 11.816 -2.952 -0.989
100 HD2 PHE 11 HD2 PHE 11 9.125 0.118 0.405
101 HE1 PHE 11 HE1 PHE 11 10.733 -2.869 -3.225
102 HE2 PHE 11 HE2 PHE 11 8.072 0.219 -1.817
103 HZ PHE 11 HZ PHE 11 8.869 -1.274 -3.652
104 H ALA 12 H ALA 12 13.323 -3.528 1.995
105 HA ALA 12 HA ALA 12 13.835 -4.116 4.724
106 HB1 ALA 12 HB1 ALA 12 15.765 -3.439 2.458
107 HB2 ALA 12 HB2 ALA 12 16.179 -4.278 3.969
108 HB3 ALA 12 HB3 ALA 12 15.082 -5.046 2.807
109 H ASN 13 H ASN 13 13.925 -1.023 3.101
110 HA ASN 13 HA ASN 13 15.473 0.344 5.188
111 HB2 ASN 13 HB2 ASN 13 15.076 2.347 3.848
112 HB3 ASN 13 HB3 ASN 13 15.664 1.015 2.841
113 HD21 ASN 13 HD21 ASN 13 14.810 2.457 1.123
114 H GLY 14 H GLY 14 12.335 -0.817 5.224
115 HA2 GLY 14 HA2 GLY 14 10.774 -0.519 6.924
116 HA3 GLY 14 HA3 GLY 14 11.535 1.007 7.406
117 H THR 15 H THR 15 10.741 0.680 4.004
118 HA THR 15 HA THR 15 8.579 2.703 4.261
119 HB THR 15 HB THR 15 9.995 1.532 1.843
120 HG1 THR 15 HG1 THR 15 11.333 2.712 3.049
121 HG21 THR 15 HG21 THR 15 7.888 2.337 1.069
122 HG22 THR 15 HG22 THR 15 8.017 3.817 2.062
123 HG23 THR 15 HG23 THR 15 9.099 3.562 0.672
124 H VAL 16 H VAL 16 6.462 2.186 4.096
125 HA VAL 16 HA VAL 16 5.667 -0.621 3.508
126 HB VAL 16 HB VAL 16 4.274 1.761 4.780
127 HG11 VAL 16 HG11 VAL 16 2.506 0.580 3.559
128 HG12 VAL 16 HG12 VAL 16 3.050 -0.976 4.234
129 HG13 VAL 16 HG13 VAL 16 2.366 0.285 5.287
130 HG21 VAL 16 HG21 VAL 16 5.882 0.506 6.203
131 HG22 VAL 16 HG22 VAL 16 4.215 0.300 6.763
132 HG23 VAL 16 HG23 VAL 16 5.004 -1.001 5.851
133 H TYR 17 H TYR 17 4.245 -1.193 1.919
134 HA TYR 17 HA TYR 17 2.996 0.785 0.137
135 HB2 TYR 17 HB2 TYR 17 4.035 0.004 -1.882
136 HB3 TYR 17 HB3 TYR 17 5.297 0.508 -0.796
137 HD1 TYR 17 HD1 TYR 17 6.646 -1.284 0.467
138 HD2 TYR 17 HD2 TYR 17 4.035 -2.178 -2.861
139 HE1 TYR 17 HE1 TYR 17 7.906 -3.383 0.037
140 HE2 TYR 17 HE2 TYR 17 5.276 -4.297 -3.256
141 HH TYR 17 HH TYR 17 8.147 -5.195 -1.327
142 H TYR 18 H TYR 18 1.895 -0.605 -1.712
143 HA TYR 18 HA TYR 18 0.525 -2.962 -0.482
144 HB2 TYR 18 HB2 TYR 18 -0.613 -0.789 -2.279
145 HB3 TYR 18 HB3 TYR 18 -1.485 -2.202 -1.670
146 HD1 TYR 18 HD1 TYR 18 -0.122 1.126 -0.806
147 HD2 TYR 18 HD2 TYR 18 -2.196 -2.352 0.682
148 HE1 TYR 18 HE1 TYR 18 -0.698 2.364 1.265
149 HE2 TYR 18 HE2 TYR 18 -2.833 -1.078 2.731
150 HH TYR 18 HH TYR 18 -1.755 2.277 3.289
151 H PHE 19 H PHE 19 0.229 -4.758 -1.732
152 HA PHE 19 HA PHE 19 1.082 -4.712 -4.600
153 HB2 PHE 19 HB2 PHE 19 3.014 -5.383 -3.322
154 HB3 PHE 19 HB3 PHE 19 2.051 -6.599 -2.458
155 HD1 PHE 19 HD1 PHE 19 3.125 -5.584 -5.863
156 HD2 PHE 19 HD2 PHE 19 1.883 -8.848 -3.336
157 HE1 PHE 19 HE1 PHE 19 3.585 -7.147 -7.690
158 HE2 PHE 19 HE2 PHE 19 2.418 -10.446 -5.156
159 HZ PHE 19 HZ PHE 19 3.265 -9.617 -7.345
160 H ASN 20 H ASN 20 -0.089 -5.905 -5.985
161 HA ASN 20 HA ASN 20 -2.357 -7.469 -4.880
162 HB2 ASN 20 HB2 ASN 20 -2.699 -5.592 -6.543
163 HB3 ASN 20 HB3 ASN 20 -1.912 -6.617 -7.753
164 HD21 ASN 20 HD21 ASN 20 -4.879 -5.687 -6.756
165 HD22 ASN 20 HD22 ASN 20 -5.790 -7.160 -7.025
166 H HIS 21 H HIS 21 -2.036 -9.600 -4.631
167 HA HIS 21 HA HIS 21 0.191 -10.967 -5.894
168 HB2 HIS 21 HB2 HIS 21 -0.221 -12.669 -4.445
169 HB3 HIS 21 HB3 HIS 21 -0.923 -11.326 -3.547
170 HD2 HIS 21 HD2 HIS 21 -3.524 -11.491 -2.979
171 HE1 HIS 21 HE1 HIS 21 -4.311 -15.250 -4.825
172 HE2 HIS 21 HE2 HIS 21 -5.250 -13.455 -3.283
173 H ILE 22 H ILE 22 -3.120 -10.530 -6.846
174 HA ILE 22 HA ILE 22 -3.285 -12.893 -8.572
175 HB ILE 22 HB ILE 22 -5.129 -10.472 -8.296
176 HG12 ILE 22 HG12 ILE 22 -5.151 -13.174 -6.856
177 HG13 ILE 22 HG13 ILE 22 -4.890 -11.586 -6.128
178 HG21 ILE 22 HG21 ILE 22 -6.836 -11.924 -9.317
179 HG22 ILE 22 HG22 ILE 22 -5.470 -11.742 -10.396
180 HG23 ILE 22 HG23 ILE 22 -5.649 -13.243 -9.459
181 HD11 ILE 22 HD11 ILE 22 -7.238 -10.951 -6.793
182 HD12 ILE 22 HD12 ILE 22 -7.495 -12.655 -7.249
183 HD13 ILE 22 HD13 ILE 22 -7.095 -12.238 -5.577
184 H THR 23 H THR 23 -2.847 -9.394 -8.931
185 HA THR 23 HA THR 23 -2.553 -9.652 -11.873
186 HB THR 23 HB THR 23 -3.295 -7.458 -12.108
187 HG1 THR 23 HG1 THR 23 -3.791 -6.432 -9.911
188 HG21 THR 23 HG21 THR 23 -5.123 -9.046 -11.387
189 HG22 THR 23 HG22 THR 23 -4.930 -8.434 -9.728
190 HG23 THR 23 HG23 THR 23 -5.434 -7.338 -11.028
191 H ASN 24 H ASN 24 -0.508 -9.241 -9.267
192 HA ASN 24 HA ASN 24 1.569 -8.580 -8.917
193 HB2 ASN 24 HB2 ASN 24 1.967 -8.762 -11.920
194 HB3 ASN 24 HB3 ASN 24 3.249 -8.653 -10.706
195 HD21 ASN 24 HD21 ASN 24 1.697 -10.851 -12.616
196 HD22 ASN 24 HD22 ASN 24 1.967 -12.277 -11.609
197 H ALA 25 H ALA 25 -0.606 -6.474 -9.729
198 HA ALA 25 HA ALA 25 0.937 -4.111 -10.369
199 HB1 ALA 25 HB1 ALA 25 -1.767 -4.410 -8.994
200 HB2 ALA 25 HB2 ALA 25 -1.107 -2.923 -9.707
201 HB3 ALA 25 HB3 ALA 25 -1.499 -4.302 -10.750
202 H SER 26 H SER 26 1.490 -2.358 -8.955
203 HA SER 26 HA SER 26 1.504 -2.855 -6.047
204 HB2 SER 26 HB2 SER 26 3.825 -2.106 -5.786
205 HB3 SER 26 HB3 SER 26 3.691 -3.655 -6.609
206 HG SER 26 HG SER 26 4.098 -2.647 -8.559
207 H GLN 27 H GLN 27 1.571 -0.996 -4.757
208 HA GLN 27 HA GLN 27 1.672 1.678 -6.028
209 HB2 GLN 27 HB2 GLN 27 -0.746 0.606 -4.507
210 HB3 GLN 27 HB3 GLN 27 -0.382 2.327 -4.707
211 HG2 GLN 27 HG2 GLN 27 -0.481 2.116 -7.134
212 HG3 GLN 27 HG3 GLN 27 -0.933 0.405 -6.976
213 HE21 GLN 27 HE21 GLN 27 -2.410 2.390 -4.477
214 HE22 GLN 27 HE22 GLN 27 -3.928 2.630 -5.348
215 H PHE 28 H PHE 28 2.478 3.245 -4.754
216 HA PHE 28 HA PHE 28 3.263 2.634 -2.000
217 HB2 PHE 28 HB2 PHE 28 3.717 5.008 -3.788
218 HB3 PHE 28 HB3 PHE 28 4.070 5.053 -2.058
219 HD1 PHE 28 HD1 PHE 28 5.112 3.625 -5.296
220 HD2 PHE 28 HD2 PHE 28 5.852 3.705 -1.046
221 HE1 PHE 28 HE1 PHE 28 7.337 2.582 -5.662
222 HE2 PHE 28 HE2 PHE 28 8.084 2.681 -1.422
223 HZ PHE 28 HZ PHE 28 8.828 2.113 -3.726
224 H GLU 29 H GLU 29 0.491 3.903 -3.435
225 HA GLU 29 HA GLU 29 -0.530 5.015 -0.866
226 HB2 GLU 29 HB2 GLU 29 -0.475 6.738 -2.494
227 HB3 GLU 29 HB3 GLU 29 -1.101 5.687 -3.751
228 HG2 GLU 29 HG2 GLU 29 -2.742 7.316 -3.155
229 HG3 GLU 29 HG3 GLU 29 -3.323 5.705 -2.778
230 H ARG 30 H ARG 30 -2.590 4.516 -0.200
231 HA ARG 30 HA ARG 30 -3.314 1.810 -0.208
232 HB2 ARG 30 HB2 ARG 30 -3.861 3.106 1.628
233 HB3 ARG 30 HB3 ARG 30 -4.599 4.379 0.661
234 HG2 ARG 30 HG2 ARG 30 -6.323 3.285 1.905
235 HG3 ARG 30 HG3 ARG 30 -6.544 2.962 0.183
236 HD2 ARG 30 HD2 ARG 30 -5.116 0.751 0.857
237 HD3 ARG 30 HD3 ARG 30 -5.806 1.113 2.431
238 HE ARG 30 HE ARG 30 -7.395 0.764 -0.113
239 HH11 ARG 30 HH11 ARG 30 -7.111 -0.073 3.303
240 HH12 ARG 30 HH12 ARG 30 -8.558 -1.062 3.216
241 HH21 ARG 30 HH21 ARG 30 -9.315 -0.263 -0.006
242 HH22 ARG 30 HH22 ARG 30 -9.798 -1.080 1.468
243 HA PRO 31 HA PRO 31 -5.501 1.672 -4.139
244 HB2 PRO 31 HB2 PRO 31 -5.930 -1.020 -4.347
245 HB3 PRO 31 HB3 PRO 31 -4.304 -0.284 -4.526
246 HG2 PRO 31 HG2 PRO 31 -5.527 -1.486 -2.017
247 HG3 PRO 31 HG3 PRO 31 -3.932 -1.864 -2.747
248 HD2 PRO 31 HD2 PRO 31 -4.122 -0.114 -0.737
249 HD3 PRO 31 HD3 PRO 31 -3.029 0.217 -2.115
250 H SER 32 H SER 32 -7.550 1.300 -4.997
251 HA SER 32 HA SER 32 -9.773 0.682 -3.081
252 HB2 SER 32 HB2 SER 32 -9.661 2.876 -5.175
253 HB3 SER 32 HB3 SER 32 -11.123 2.388 -4.300
254 HG SER 32 HG SER 32 -8.719 3.340 -3.125
255 H GLY 33 H GLY 33 -8.303 -0.497 -5.807
256 HA2 GLY 33 HA2 GLY 33 -10.103 -2.520 -6.396
257 HA3 GLY 33 HA3 GLY 33 -10.576 -1.208 -7.475
258 H1 GAL 101 H1 GAL 34 11.890 1.998 0.684
259 H2 GAL 101 H2 GAL 34 13.707 4.161 -0.511
260 H3 GAL 101 H3 GAL 34 10.751 3.536 -0.981
261 H4 GAL 101 H4 GAL 34 11.424 2.932 -3.285
262 H5 GAL 101 H5 GAL 34 11.320 1.170 -1.567
263 H61 GAL 101 H61 GAL 34 12.656 -0.564 -2.567
264 H62 GAL 101 H62 GAL 34 12.116 0.510 -3.875
265 HO2 GAL 101 H2O GAL 34 11.617 4.209 1.451
266 HO3 GAL 101 H3O GAL 34 11.529 5.803 -1.061
267 HO4 GAL 101 H4O GAL 34 13.883 2.547 -3.381
268 HO6 GAL 101 H6O GAL 34 14.654 0.495 -2.548
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -12.193 -3.623 3.649
2 H2 LYS 1 H2 LYS 1 -12.069 -4.898 4.668
3 H3 LYS 1 H3 LYS 1 -12.199 -5.144 3.052
4 HA LYS 1 HA LYS 1 -9.943 -3.836 4.420
5 HB2 LYS 1 HB2 LYS 1 -8.599 -5.787 3.886
6 HB3 LYS 1 HB3 LYS 1 -9.965 -6.246 4.867
7 HG2 LYS 1 HG2 LYS 1 -11.064 -7.371 3.123
8 HG3 LYS 1 HG3 LYS 1 -10.160 -6.566 1.853
9 HD2 LYS 1 HD2 LYS 1 -8.921 -8.508 3.837
10 HD3 LYS 1 HD3 LYS 1 -9.553 -8.995 2.271
11 HE2 LYS 1 HE2 LYS 1 -7.304 -6.956 2.617
12 HE3 LYS 1 HE3 LYS 1 -7.043 -8.683 2.406
13 HZ1 LYS 1 HZ1 LYS 1 -8.431 -6.968 0.409
14 HZ2 LYS 1 HZ2 LYS 1 -6.880 -7.511 0.297
15 HZ3 LYS 1 HZ3 LYS 1 -8.126 -8.566 0.258
16 H LEU 2 H LEU 2 -8.020 -4.538 2.517
17 HA LEU 2 HA LEU 2 -8.261 -2.629 0.405
18 HB2 LEU 2 HB2 LEU 2 -6.464 -5.044 0.858
19 HB3 LEU 2 HB3 LEU 2 -6.210 -3.877 -0.445
20 HG LEU 2 HG LEU 2 -6.268 -2.988 2.460
21 HD11 LEU 2 HD11 LEU 2 -3.814 -3.098 2.387
22 HD12 LEU 2 HD12 LEU 2 -4.541 -4.704 2.231
23 HD13 LEU 2 HD13 LEU 2 -3.890 -3.883 0.788
24 HD21 LEU 2 HD21 LEU 2 -6.512 -1.247 0.676
25 HD22 LEU 2 HD22 LEU 2 -4.984 -1.099 1.556
26 HD23 LEU 2 HD23 LEU 2 -5.005 -1.842 -0.059
27 HA PRO 3 HA PRO 3 -10.581 -4.700 -2.654
28 HB2 PRO 3 HB2 PRO 3 -8.729 -4.058 -4.884
29 HB3 PRO 3 HB3 PRO 3 -10.391 -3.481 -4.585
30 HG2 PRO 3 HG2 PRO 3 -8.175 -1.889 -4.263
31 HG3 PRO 3 HG3 PRO 3 -9.653 -1.714 -3.253
32 HD2 PRO 3 HD2 PRO 3 -7.072 -3.140 -2.623
33 HD3 PRO 3 HD3 PRO 3 -8.020 -2.039 -1.587
34 HA PRO 4 HA PRO 4 -9.565 -8.797 -3.705
35 HB2 PRO 4 HB2 PRO 4 -9.875 -8.261 -6.668
36 HB3 PRO 4 HB3 PRO 4 -10.513 -9.626 -5.693
37 HG2 PRO 4 HG2 PRO 4 -12.136 -7.557 -6.301
38 HG3 PRO 4 HG3 PRO 4 -12.120 -8.193 -4.622
39 HD2 PRO 4 HD2 PRO 4 -10.701 -5.756 -5.728
40 HD3 PRO 4 HD3 PRO 4 -11.636 -5.928 -4.208
41 H GLY 5 H GLY 5 -7.681 -9.744 -3.509
42 HA2 GLY 5 HA2 GLY 5 -5.578 -10.570 -4.015
43 HA3 GLY 5 HA3 GLY 5 -5.513 -9.546 -5.462
44 H TRP 6 H TRP 6 -6.180 -7.196 -3.355
45 HA TRP 6 HA TRP 6 -3.368 -6.466 -3.042
46 HB2 TRP 6 HB2 TRP 6 -5.907 -5.032 -2.302
47 HB3 TRP 6 HB3 TRP 6 -4.283 -4.381 -2.057
48 HD1 TRP 6 HD1 TRP 6 -6.825 -5.099 -4.770
49 HE1 TRP 6 HE1 TRP 6 -6.224 -3.820 -6.913
50 HE3 TRP 6 HE3 TRP 6 -2.107 -3.612 -3.483
51 HZ2 TRP 6 HZ2 TRP 6 -3.863 -2.634 -8.042
52 HZ3 TRP 6 HZ3 TRP 6 -0.678 -2.426 -5.142
53 HH2 TRP 6 HH2 TRP 6 -1.538 -1.927 -7.413
54 H GLU 7 H GLU 7 -2.148 -6.347 -1.304
55 HA GLU 7 HA GLU 7 -3.220 -6.436 1.437
56 HB2 GLU 7 HB2 GLU 7 -2.867 -8.807 0.718
57 HB3 GLU 7 HB3 GLU 7 -1.156 -8.446 0.440
58 HG2 GLU 7 HG2 GLU 7 -0.853 -7.946 2.827
59 HG3 GLU 7 HG3 GLU 7 -2.587 -8.118 3.112
60 H LYS 8 H LYS 8 -1.604 -5.668 3.015
61 HA LYS 8 HA LYS 8 0.288 -3.719 1.981
62 HB2 LYS 8 HB2 LYS 8 -0.300 -4.765 4.760
63 HB3 LYS 8 HB3 LYS 8 1.073 -3.694 4.439
64 HG2 LYS 8 HG2 LYS 8 -0.369 -1.963 3.526
65 HG3 LYS 8 HG3 LYS 8 -1.776 -3.036 3.633
66 HD2 LYS 8 HD2 LYS 8 -1.901 -1.494 5.464
67 HD3 LYS 8 HD3 LYS 8 -1.501 -3.083 6.132
68 HE2 LYS 8 HE2 LYS 8 0.922 -2.390 6.214
69 HE3 LYS 8 HE3 LYS 8 0.462 -0.809 5.573
70 HZ1 LYS 8 HZ1 LYS 8 0.646 -0.771 7.994
71 HZ2 LYS 8 HZ2 LYS 8 -0.900 -0.471 7.564
72 HZ3 LYS 8 HZ3 LYS 8 -0.483 -1.938 8.154
73 H ARG 9 H ARG 9 2.404 -3.658 1.964
74 HA ARG 9 HA ARG 9 4.104 -6.027 2.512
75 HB2 ARG 9 HB2 ARG 9 3.146 -6.161 0.164
76 HB3 ARG 9 HB3 ARG 9 4.028 -4.685 -0.234
77 HG2 ARG 9 HG2 ARG 9 6.158 -5.815 0.077
78 HG3 ARG 9 HG3 ARG 9 5.359 -7.221 0.827
79 HD2 ARG 9 HD2 ARG 9 4.236 -7.745 -1.299
80 HD3 ARG 9 HD3 ARG 9 4.981 -6.313 -2.052
81 HE ARG 9 HE ARG 9 6.917 -8.156 -0.870
82 HH11 ARG 9 HH11 ARG 9 8.405 -9.121 -2.188
83 HH12 ARG 9 HH12 ARG 9 8.122 -9.214 -3.904
84 HH21 ARG 9 HH21 ARG 9 5.093 -7.621 -3.827
85 HH22 ARG 9 HH22 ARG 9 6.319 -8.372 -4.807
86 H MET 10 H MET 10 6.514 -5.367 2.132
87 HA MET 10 HA MET 10 7.021 -2.514 2.692
88 HB2 MET 10 HB2 MET 10 6.254 -3.562 4.855
89 HB3 MET 10 HB3 MET 10 7.620 -4.674 4.750
90 HG2 MET 10 HG2 MET 10 9.160 -2.662 4.775
91 HG3 MET 10 HG3 MET 10 7.733 -1.646 4.966
92 HE1 MET 10 HE1 MET 10 10.306 -4.008 6.581
93 HE2 MET 10 HE2 MET 10 9.593 -4.425 8.153
94 HE3 MET 10 HE3 MET 10 8.905 -5.100 6.663
95 H PHE 11 H PHE 11 8.967 -1.857 2.199
96 HA PHE 11 HA PHE 11 10.858 -3.558 0.813
97 HB2 PHE 11 HB2 PHE 11 10.773 -0.633 1.531
98 HB3 PHE 11 HB3 PHE 11 12.121 -1.359 0.642
99 HD1 PHE 11 HD1 PHE 11 8.978 0.263 0.346
100 HD2 PHE 11 HD2 PHE 11 11.495 -2.673 -1.566
101 HE1 PHE 11 HE1 PHE 11 7.799 0.652 -1.788
102 HE2 PHE 11 HE2 PHE 11 10.305 -2.282 -3.714
103 HZ PHE 11 HZ PHE 11 8.461 -0.614 -3.833
104 H ALA 12 H ALA 12 13.201 -3.572 1.213
105 HA ALA 12 HA ALA 12 13.869 -4.527 3.805
106 HB1 ALA 12 HB1 ALA 12 16.162 -4.581 2.896
107 HB2 ALA 12 HB2 ALA 12 14.994 -5.191 1.711
108 HB3 ALA 12 HB3 ALA 12 15.664 -3.550 1.538
109 H ASN 13 H ASN 13 13.880 -1.253 2.602
110 HA ASN 13 HA ASN 13 15.540 -0.133 4.745
111 HB2 ASN 13 HB2 ASN 13 14.922 2.035 3.717
112 HB3 ASN 13 HB3 ASN 13 15.580 0.883 2.546
113 HD21 ASN 13 HD21 ASN 13 14.573 2.391 1.001
114 H GLY 14 H GLY 14 12.391 -1.329 4.783
115 HA2 GLY 14 HA2 GLY 14 10.938 -1.320 6.599
116 HA3 GLY 14 HA3 GLY 14 11.737 0.108 7.279
117 H THR 15 H THR 15 10.812 0.452 3.930
118 HA THR 15 HA THR 15 8.624 2.328 4.672
119 HB THR 15 HB THR 15 10.116 1.702 2.095
120 HG1 THR 15 HG1 THR 15 10.917 3.724 2.412
121 HG21 THR 15 HG21 THR 15 7.841 3.680 2.501
122 HG22 THR 15 HG22 THR 15 8.963 3.690 1.121
123 HG23 THR 15 HG23 THR 15 7.892 2.311 1.360
124 H VAL 16 H VAL 16 6.526 1.862 4.421
125 HA VAL 16 HA VAL 16 5.703 -0.836 3.492
126 HB VAL 16 HB VAL 16 4.345 1.355 5.102
127 HG11 VAL 16 HG11 VAL 16 2.503 -0.226 5.528
128 HG12 VAL 16 HG12 VAL 16 2.544 0.273 3.842
129 HG13 VAL 16 HG13 VAL 16 3.158 -1.336 4.302
130 HG21 VAL 16 HG21 VAL 16 5.182 -1.487 5.829
131 HG22 VAL 16 HG22 VAL 16 6.033 -0.003 6.319
132 HG23 VAL 16 HG23 VAL 16 4.393 -0.323 6.908
133 H TYR 17 H TYR 17 4.173 -1.201 1.950
134 HA TYR 17 HA TYR 17 2.862 0.962 0.450
135 HB2 TYR 17 HB2 TYR 17 3.776 0.337 -1.686
136 HB3 TYR 17 HB3 TYR 17 5.094 0.747 -0.626
137 HD1 TYR 17 HD1 TYR 17 6.501 -1.146 0.415
138 HD2 TYR 17 HD2 TYR 17 3.709 -1.758 -2.818
139 HE1 TYR 17 HE1 TYR 17 7.759 -3.168 -0.294
140 HE2 TYR 17 HE2 TYR 17 4.945 -3.812 -3.492
141 HH TYR 17 HH TYR 17 7.999 -4.760 -1.906
142 H TYR 18 H TYR 18 1.620 -0.265 -1.469
143 HA TYR 18 HA TYR 18 0.239 -2.647 -0.294
144 HB2 TYR 18 HB2 TYR 18 -0.818 -0.538 -2.208
145 HB3 TYR 18 HB3 TYR 18 -1.719 -1.903 -1.533
146 HD1 TYR 18 HD1 TYR 18 -0.531 1.499 -0.955
147 HD2 TYR 18 HD2 TYR 18 -2.175 -1.999 0.953
148 HE1 TYR 18 HE1 TYR 18 -1.138 2.870 1.035
149 HE2 TYR 18 HE2 TYR 18 -2.803 -0.625 2.934
150 HH TYR 18 HH TYR 18 -2.801 1.455 3.868
151 H PHE 19 H PHE 19 0.060 -4.472 -1.483
152 HA PHE 19 HA PHE 19 1.076 -4.513 -4.291
153 HB2 PHE 19 HB2 PHE 19 2.953 -4.995 -2.886
154 HB3 PHE 19 HB3 PHE 19 2.031 -6.207 -1.984
155 HD1 PHE 19 HD1 PHE 19 3.275 -5.335 -5.368
156 HD2 PHE 19 HD2 PHE 19 1.951 -8.521 -2.776
157 HE1 PHE 19 HE1 PHE 19 3.900 -6.971 -7.085
158 HE2 PHE 19 HE2 PHE 19 2.655 -10.181 -4.477
159 HZ PHE 19 HZ PHE 19 3.621 -9.427 -6.643
160 H ASN 20 H ASN 20 0.053 -5.792 -5.693
161 HA ASN 20 HA ASN 20 -2.228 -7.401 -4.686
162 HB2 ASN 20 HB2 ASN 20 -2.509 -5.617 -6.456
163 HB3 ASN 20 HB3 ASN 20 -1.591 -6.659 -7.554
164 HD21 ASN 20 HD21 ASN 20 -4.659 -5.808 -6.844
165 HD22 ASN 20 HD22 ASN 20 -5.488 -7.323 -7.144
166 H HIS 21 H HIS 21 -1.860 -9.511 -4.322
167 HA HIS 21 HA HIS 21 0.507 -10.837 -5.360
168 HB2 HIS 21 HB2 HIS 21 0.074 -12.475 -3.853
169 HB3 HIS 21 HB3 HIS 21 -0.763 -11.132 -3.079
170 HD2 HIS 21 HD2 HIS 21 -3.397 -11.385 -2.733
171 HE1 HIS 21 HE1 HIS 21 -3.855 -15.276 -4.412
172 HE2 HIS 21 HE2 HIS 21 -5.005 -13.445 -3.066
173 H ILE 22 H ILE 22 -2.750 -10.588 -6.550
174 HA ILE 22 HA ILE 22 -2.698 -13.025 -8.178
175 HB ILE 22 HB ILE 22 -4.643 -10.668 -8.145
176 HG12 ILE 22 HG12 ILE 22 -4.694 -13.314 -6.609
177 HG13 ILE 22 HG13 ILE 22 -4.534 -11.694 -5.922
178 HG21 ILE 22 HG21 ILE 22 -4.776 -12.026 -10.212
179 HG22 ILE 22 HG22 ILE 22 -4.973 -13.497 -9.233
180 HG23 ILE 22 HG23 ILE 22 -6.214 -12.220 -9.235
181 HD11 ILE 22 HD11 ILE 22 -6.839 -11.153 -6.792
182 HD12 ILE 22 HD12 ILE 22 -7.013 -12.880 -7.199
183 HD13 ILE 22 HD13 ILE 22 -6.759 -12.390 -5.519
184 H THR 23 H THR 23 -2.361 -9.529 -8.660
185 HA THR 23 HA THR 23 -1.844 -9.901 -11.559
186 HB THR 23 HB THR 23 -2.672 -7.762 -11.952
187 HG1 THR 23 HG1 THR 23 -3.375 -6.651 -9.864
188 HG21 THR 23 HG21 THR 23 -4.889 -7.707 -11.038
189 HG22 THR 23 HG22 THR 23 -4.469 -9.411 -11.289
190 HG23 THR 23 HG23 THR 23 -4.430 -8.715 -9.652
191 H ASN 24 H ASN 24 -0.017 -9.271 -8.837
192 HA ASN 24 HA ASN 24 1.997 -8.490 -8.375
193 HB2 ASN 24 HB2 ASN 24 2.621 -8.755 -11.334
194 HB3 ASN 24 HB3 ASN 24 3.800 -8.551 -10.031
195 HD21 ASN 24 HD21 ASN 24 2.350 -10.874 -11.943
196 HD22 ASN 24 HD22 ASN 24 2.661 -12.256 -10.887
197 H ALA 25 H ALA 25 -0.222 -6.540 -9.421
198 HA ALA 25 HA ALA 25 1.225 -4.128 -10.078
199 HB1 ALA 25 HB1 ALA 25 -1.168 -4.476 -10.590
200 HB2 ALA 25 HB2 ALA 25 -1.537 -4.510 -8.851
201 HB3 ALA 25 HB3 ALA 25 -0.914 -3.026 -9.602
202 H SER 26 H SER 26 1.587 -2.278 -8.736
203 HA SER 26 HA SER 26 1.644 -2.655 -5.799
204 HB2 SER 26 HB2 SER 26 3.989 -1.914 -5.664
205 HB3 SER 26 HB3 SER 26 3.804 -3.478 -6.460
206 HG SER 26 HG SER 26 4.105 -0.987 -7.811
207 H GLN 27 H GLN 27 1.491 -0.761 -4.608
208 HA GLN 27 HA GLN 27 1.800 1.870 -5.897
209 HB2 GLN 27 HB2 GLN 27 -0.835 0.611 -5.425
210 HB3 GLN 27 HB3 GLN 27 -0.677 2.137 -4.581
211 HG2 GLN 27 HG2 GLN 27 -0.176 1.787 -7.553
212 HG3 GLN 27 HG3 GLN 27 -1.673 2.360 -6.825
213 HE21 GLN 27 HE21 GLN 27 -0.658 4.058 -8.631
214 HE22 GLN 27 HE22 GLN 27 0.122 5.424 -7.823
215 H PHE 28 H PHE 28 2.046 3.578 -4.522
216 HA PHE 28 HA PHE 28 2.627 2.986 -1.685
217 HB2 PHE 28 HB2 PHE 28 3.119 5.417 -3.410
218 HB3 PHE 28 HB3 PHE 28 3.356 5.396 -1.658
219 HD1 PHE 28 HD1 PHE 28 4.758 4.384 -4.873
220 HD2 PHE 28 HD2 PHE 28 5.069 3.893 -0.596
221 HE1 PHE 28 HE1 PHE 28 7.056 3.480 -5.142
222 HE2 PHE 28 HE2 PHE 28 7.368 3.001 -0.873
223 HZ PHE 28 HZ PHE 28 8.366 2.792 -3.143
224 H GLU 29 H GLU 29 0.181 4.551 -3.604
225 HA GLU 29 HA GLU 29 -1.267 5.646 -1.275
226 HB2 GLU 29 HB2 GLU 29 -1.285 6.995 -3.249
227 HB3 GLU 29 HB3 GLU 29 -1.691 5.622 -4.269
228 HG2 GLU 29 HG2 GLU 29 -3.552 7.124 -4.108
229 HG3 GLU 29 HG3 GLU 29 -3.959 5.558 -3.437
230 H ARG 30 H ARG 30 -3.304 4.885 -0.554
231 HA ARG 30 HA ARG 30 -3.618 2.053 -0.537
232 HB2 ARG 30 HB2 ARG 30 -4.320 3.364 1.306
233 HB3 ARG 30 HB3 ARG 30 -5.509 4.249 0.353
234 HG2 ARG 30 HG2 ARG 30 -5.716 1.237 0.500
235 HG3 ARG 30 HG3 ARG 30 -6.164 2.175 1.930
236 HD2 ARG 30 HD2 ARG 30 -8.039 3.087 0.977
237 HD3 ARG 30 HD3 ARG 30 -7.355 3.125 -0.635
238 HE ARG 30 HE ARG 30 -8.061 0.987 -1.098
239 HH11 ARG 30 HH11 ARG 30 -10.341 -0.954 0.552
240 HH12 ARG 30 HH12 ARG 30 -9.605 -0.538 -0.977
241 HH21 ARG 30 HH21 ARG 30 -8.737 1.528 2.309
242 HH22 ARG 30 HH22 ARG 30 -9.916 0.241 2.354
243 HA PRO 31 HA PRO 31 -5.336 1.750 -4.606
244 HB2 PRO 31 HB2 PRO 31 -5.774 -0.961 -4.780
245 HB3 PRO 31 HB3 PRO 31 -4.143 -0.215 -4.782
246 HG2 PRO 31 HG2 PRO 31 -5.656 -1.358 -2.405
247 HG3 PRO 31 HG3 PRO 31 -3.974 -1.720 -2.913
248 HD2 PRO 31 HD2 PRO 31 -4.442 0.091 -0.996
249 HD3 PRO 31 HD3 PRO 31 -3.215 0.417 -2.256
250 H SER 32 H SER 32 -7.260 1.857 -5.633
251 HA SER 32 HA SER 32 -9.773 1.400 -4.121
252 HB2 SER 32 HB2 SER 32 -9.218 2.726 -6.799
253 HB3 SER 32 HB3 SER 32 -10.816 2.577 -6.044
254 HG SER 32 HG SER 32 -9.813 4.584 -5.580
255 H GLY 33 H GLY 33 -7.958 -0.152 -6.661
256 HA2 GLY 33 HA2 GLY 33 -9.496 -2.524 -6.798
257 HA3 GLY 33 HA3 GLY 33 -10.046 -1.472 -8.102
258 H1 GAL 101 H1 GAL 34 11.708 1.674 0.527
259 H2 GAL 101 H2 GAL 34 13.294 4.125 -0.415
260 H3 GAL 101 H3 GAL 34 10.424 3.304 -1.090
261 H4 GAL 101 H4 GAL 34 11.206 2.913 -3.383
262 H5 GAL 101 H5 GAL 34 11.264 1.010 -1.839
263 H61 GAL 101 H61 GAL 34 12.832 -0.492 -2.925
264 H62 GAL 101 H62 GAL 34 12.117 0.588 -4.140
265 HO2 GAL 101 H2O GAL 34 11.553 5.219 0.641
266 HO3 GAL 101 H3O GAL 34 10.470 5.162 -2.381
267 HO4 GAL 101 H4O GAL 34 12.997 4.469 -3.137
268 HO6 GAL 101 H6O GAL 34 14.069 1.960 -3.529
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -10.732 -5.659 3.762
2 H2 LYS 1 H2 LYS 1 -11.831 -4.445 3.690
3 H3 LYS 1 H3 LYS 1 -11.322 -5.002 5.136
4 HA LYS 1 HA LYS 1 -10.336 -2.896 4.696
5 HB2 LYS 1 HB2 LYS 1 -7.966 -3.419 5.008
6 HB3 LYS 1 HB3 LYS 1 -9.029 -4.296 6.098
7 HG2 LYS 1 HG2 LYS 1 -8.728 -6.372 4.815
8 HG3 LYS 1 HG3 LYS 1 -7.741 -5.520 3.617
9 HD2 LYS 1 HD2 LYS 1 -6.078 -4.961 5.373
10 HD3 LYS 1 HD3 LYS 1 -7.017 -5.928 6.538
11 HE2 LYS 1 HE2 LYS 1 -6.757 -7.927 5.104
12 HE3 LYS 1 HE3 LYS 1 -5.915 -6.966 3.884
13 HZ1 LYS 1 HZ1 LYS 1 -4.152 -6.564 5.520
14 HZ2 LYS 1 HZ2 LYS 1 -4.903 -7.536 6.612
15 HZ3 LYS 1 HZ3 LYS 1 -4.331 -8.140 5.188
16 H LEU 2 H LEU 2 -9.118 -5.174 2.171
17 HA LEU 2 HA LEU 2 -8.537 -2.826 0.433
18 HB2 LEU 2 HB2 LEU 2 -6.975 -5.382 0.941
19 HB3 LEU 2 HB3 LEU 2 -6.593 -4.244 -0.355
20 HG LEU 2 HG LEU 2 -6.589 -3.419 2.571
21 HD11 LEU 2 HD11 LEU 2 -4.267 -4.315 0.820
22 HD12 LEU 2 HD12 LEU 2 -4.143 -3.639 2.460
23 HD13 LEU 2 HD13 LEU 2 -4.933 -5.203 2.209
24 HD21 LEU 2 HD21 LEU 2 -5.228 -1.555 1.748
25 HD22 LEU 2 HD22 LEU 2 -5.293 -2.199 0.096
26 HD23 LEU 2 HD23 LEU 2 -6.762 -1.575 0.879
27 HA PRO 3 HA PRO 3 -10.812 -4.822 -2.774
28 HB2 PRO 3 HB2 PRO 3 -8.836 -4.132 -4.871
29 HB3 PRO 3 HB3 PRO 3 -10.504 -3.536 -4.644
30 HG2 PRO 3 HG2 PRO 3 -8.293 -1.970 -4.169
31 HG3 PRO 3 HG3 PRO 3 -9.812 -1.815 -3.223
32 HD2 PRO 3 HD2 PRO 3 -7.293 -3.325 -2.513
33 HD3 PRO 3 HD3 PRO 3 -8.251 -2.198 -1.511
34 HA PRO 4 HA PRO 4 -9.639 -8.890 -3.751
35 HB2 PRO 4 HB2 PRO 4 -9.879 -8.382 -6.725
36 HB3 PRO 4 HB3 PRO 4 -10.519 -9.750 -5.756
37 HG2 PRO 4 HG2 PRO 4 -12.160 -7.716 -6.433
38 HG3 PRO 4 HG3 PRO 4 -12.186 -8.342 -4.749
39 HD2 PRO 4 HD2 PRO 4 -10.779 -5.883 -5.824
40 HD3 PRO 4 HD3 PRO 4 -11.761 -6.067 -4.336
41 H GLY 5 H GLY 5 -7.742 -9.808 -3.513
42 HA2 GLY 5 HA2 GLY 5 -5.642 -10.641 -4.011
43 HA3 GLY 5 HA3 GLY 5 -5.572 -9.617 -5.459
44 H TRP 6 H TRP 6 -6.232 -7.299 -3.293
45 HA TRP 6 HA TRP 6 -3.433 -6.517 -3.071
46 HB2 TRP 6 HB2 TRP 6 -6.000 -5.195 -2.243
47 HB3 TRP 6 HB3 TRP 6 -4.405 -4.495 -1.944
48 HD1 TRP 6 HD1 TRP 6 -6.903 -5.147 -4.705
49 HE1 TRP 6 HE1 TRP 6 -6.286 -3.797 -6.805
50 HE3 TRP 6 HE3 TRP 6 -2.210 -3.684 -3.326
51 HZ2 TRP 6 HZ2 TRP 6 -3.890 -2.645 -7.901
52 HZ3 TRP 6 HZ3 TRP 6 -0.736 -2.515 -4.960
53 HH2 TRP 6 HH2 TRP 6 -1.556 -1.992 -7.243
54 H GLU 7 H GLU 7 -2.132 -6.339 -1.383
55 HA GLU 7 HA GLU 7 -3.094 -6.545 1.390
56 HB2 GLU 7 HB2 GLU 7 -1.447 -8.619 0.015
57 HB3 GLU 7 HB3 GLU 7 -0.757 -8.053 1.518
58 HG2 GLU 7 HG2 GLU 7 -3.554 -9.194 1.208
59 HG3 GLU 7 HG3 GLU 7 -2.142 -10.046 1.823
60 H LYS 8 H LYS 8 -1.426 -5.953 2.963
61 HA LYS 8 HA LYS 8 0.260 -3.709 2.028
62 HB2 LYS 8 HB2 LYS 8 -0.383 -4.815 4.767
63 HB3 LYS 8 HB3 LYS 8 0.990 -3.723 4.516
64 HG2 LYS 8 HG2 LYS 8 -0.471 -2.034 3.482
65 HG3 LYS 8 HG3 LYS 8 -1.862 -3.119 3.668
66 HD2 LYS 8 HD2 LYS 8 -1.983 -1.514 5.435
67 HD3 LYS 8 HD3 LYS 8 -1.481 -3.040 6.179
68 HE2 LYS 8 HE2 LYS 8 0.905 -2.241 6.119
69 HE3 LYS 8 HE3 LYS 8 0.360 -0.732 5.380
70 HZ1 LYS 8 HZ1 LYS 8 -0.936 -0.290 7.395
71 HZ2 LYS 8 HZ2 LYS 8 -0.443 -1.693 8.076
72 HZ3 LYS 8 HZ3 LYS 8 0.635 -0.503 7.783
73 H ARG 9 H ARG 9 2.376 -3.533 2.081
74 HA ARG 9 HA ARG 9 4.152 -5.904 2.416
75 HB2 ARG 9 HB2 ARG 9 3.070 -5.324 -0.070
76 HB3 ARG 9 HB3 ARG 9 4.448 -4.251 -0.072
77 HG2 ARG 9 HG2 ARG 9 5.326 -6.134 -1.066
78 HG3 ARG 9 HG3 ARG 9 5.809 -6.431 0.614
79 HD2 ARG 9 HD2 ARG 9 3.499 -7.657 -0.953
80 HD3 ARG 9 HD3 ARG 9 4.962 -8.471 -0.381
81 HE ARG 9 HE ARG 9 2.789 -7.382 1.400
82 HH11 ARG 9 HH11 ARG 9 5.047 -10.023 0.831
83 HH12 ARG 9 HH12 ARG 9 4.515 -10.851 2.272
84 HH21 ARG 9 HH21 ARG 9 2.248 -8.406 3.153
85 HH22 ARG 9 HH22 ARG 9 2.946 -9.964 3.563
86 H MET 10 H MET 10 6.511 -5.215 2.143
87 HA MET 10 HA MET 10 7.047 -2.411 2.833
88 HB2 MET 10 HB2 MET 10 6.284 -3.476 4.969
89 HB3 MET 10 HB3 MET 10 7.605 -4.639 4.826
90 HG2 MET 10 HG2 MET 10 9.197 -2.640 4.829
91 HG3 MET 10 HG3 MET 10 7.813 -1.633 5.242
92 HE1 MET 10 HE1 MET 10 6.654 -1.617 7.651
93 HE2 MET 10 HE2 MET 10 6.137 -3.290 7.322
94 HE3 MET 10 HE3 MET 10 6.922 -2.886 8.862
95 H PHE 11 H PHE 11 9.007 -1.759 2.325
96 HA PHE 11 HA PHE 11 10.911 -3.471 0.956
97 HB2 PHE 11 HB2 PHE 11 10.874 -0.536 1.668
98 HB3 PHE 11 HB3 PHE 11 12.212 -1.302 0.806
99 HD1 PHE 11 HD1 PHE 11 11.677 -2.562 -1.412
100 HD2 PHE 11 HD2 PHE 11 9.027 0.296 0.435
101 HE1 PHE 11 HE1 PHE 11 10.541 -2.190 -3.593
102 HE2 PHE 11 HE2 PHE 11 7.920 0.685 -1.730
103 HZ PHE 11 HZ PHE 11 8.670 -0.555 -3.762
104 H ALA 12 H ALA 12 13.228 -3.552 1.399
105 HA ALA 12 HA ALA 12 13.852 -4.470 4.011
106 HB1 ALA 12 HB1 ALA 12 16.158 -4.554 3.139
107 HB2 ALA 12 HB2 ALA 12 15.003 -5.168 1.942
108 HB3 ALA 12 HB3 ALA 12 15.689 -3.535 1.761
109 H ASN 13 H ASN 13 13.908 -1.202 2.774
110 HA ASN 13 HA ASN 13 15.564 -0.116 4.944
111 HB2 ASN 13 HB2 ASN 13 15.167 2.037 3.862
112 HB3 ASN 13 HB3 ASN 13 15.691 0.822 2.687
113 HD21 ASN 13 HD21 ASN 13 14.813 2.461 1.175
114 H GLY 14 H GLY 14 12.404 -1.217 4.963
115 HA2 GLY 14 HA2 GLY 14 10.908 -1.086 6.741
116 HA3 GLY 14 HA3 GLY 14 11.724 0.356 7.368
117 H THR 15 H THR 15 10.797 0.442 3.984
118 HA THR 15 HA THR 15 8.695 2.465 4.554
119 HB THR 15 HB THR 15 9.990 1.543 1.964
120 HG1 THR 15 HG1 THR 15 11.404 2.555 3.232
121 HG21 THR 15 HG21 THR 15 7.871 2.475 1.374
122 HG22 THR 15 HG22 THR 15 8.088 3.838 2.508
123 HG23 THR 15 HG23 THR 15 9.102 3.700 1.053
124 H VAL 16 H VAL 16 6.543 2.075 4.295
125 HA VAL 16 HA VAL 16 5.665 -0.663 3.537
126 HB VAL 16 HB VAL 16 4.310 1.671 4.937
127 HG11 VAL 16 HG11 VAL 16 3.072 -1.031 4.249
128 HG12 VAL 16 HG12 VAL 16 2.395 0.170 5.373
129 HG13 VAL 16 HG13 VAL 16 2.530 0.562 3.664
130 HG21 VAL 16 HG21 VAL 16 4.236 0.100 6.841
131 HG22 VAL 16 HG22 VAL 16 5.026 -1.147 5.857
132 HG23 VAL 16 HG23 VAL 16 5.905 0.338 6.297
133 H TYR 17 H TYR 17 4.232 -1.108 1.944
134 HA TYR 17 HA TYR 17 2.977 0.977 0.303
135 HB2 TYR 17 HB2 TYR 17 3.898 0.223 -1.794
136 HB3 TYR 17 HB3 TYR 17 5.196 0.721 -0.747
137 HD1 TYR 17 HD1 TYR 17 6.637 -1.068 0.406
138 HD2 TYR 17 HD2 TYR 17 3.875 -1.949 -2.792
139 HE1 TYR 17 HE1 TYR 17 7.955 -3.090 -0.188
140 HE2 TYR 17 HE2 TYR 17 5.167 -4.002 -3.341
141 HH TYR 17 HH TYR 17 8.215 -4.809 -1.651
142 H TYR 18 H TYR 18 1.760 -0.308 -1.569
143 HA TYR 18 HA TYR 18 0.393 -2.675 -0.367
144 HB2 TYR 18 HB2 TYR 18 -0.724 -0.520 -2.185
145 HB3 TYR 18 HB3 TYR 18 -1.584 -1.971 -1.650
146 HD1 TYR 18 HD1 TYR 18 -2.324 -2.240 0.699
147 HD2 TYR 18 HD2 TYR 18 -0.319 1.337 -0.647
148 HE1 TYR 18 HE1 TYR 18 -3.057 -1.052 2.760
149 HE2 TYR 18 HE2 TYR 18 -1.036 2.518 1.433
150 HH TYR 18 HH TYR 18 -3.053 0.914 3.913
151 H PHE 19 H PHE 19 0.057 -4.478 -1.579
152 HA PHE 19 HA PHE 19 1.062 -4.546 -4.386
153 HB2 PHE 19 HB2 PHE 19 2.967 -5.067 -3.017
154 HB3 PHE 19 HB3 PHE 19 2.040 -6.267 -2.105
155 HD1 PHE 19 HD1 PHE 19 3.216 -5.389 -5.509
156 HD2 PHE 19 HD2 PHE 19 1.918 -8.583 -2.914
157 HE1 PHE 19 HE1 PHE 19 3.779 -7.013 -7.255
158 HE2 PHE 19 HE2 PHE 19 2.565 -10.234 -4.645
159 HZ PHE 19 HZ PHE 19 3.490 -9.472 -6.826
160 H ASN 20 H ASN 20 0.007 -5.837 -5.764
161 HA ASN 20 HA ASN 20 -2.263 -7.431 -4.700
162 HB2 ASN 20 HB2 ASN 20 -2.601 -5.622 -6.428
163 HB3 ASN 20 HB3 ASN 20 -1.716 -6.640 -7.575
164 HD21 ASN 20 HD21 ASN 20 -4.760 -5.805 -6.759
165 HD22 ASN 20 HD22 ASN 20 -5.601 -7.314 -7.050
166 H HIS 21 H HIS 21 -1.922 -9.549 -4.399
167 HA HIS 21 HA HIS 21 0.413 -10.877 -5.506
168 HB2 HIS 21 HB2 HIS 21 0.007 -12.520 -4.001
169 HB3 HIS 21 HB3 HIS 21 -0.827 -11.191 -3.202
170 HD2 HIS 21 HD2 HIS 21 -3.451 -11.467 -2.816
171 HE1 HIS 21 HE1 HIS 21 -3.917 -15.334 -4.545
172 HE2 HIS 21 HE2 HIS 21 -5.054 -13.529 -3.155
173 H ILE 22 H ILE 22 -2.871 -10.589 -6.618
174 HA ILE 22 HA ILE 22 -2.864 -13.002 -8.285
175 HB ILE 22 HB ILE 22 -4.796 -10.637 -8.157
176 HG12 ILE 22 HG12 ILE 22 -4.824 -13.330 -6.702
177 HG13 ILE 22 HG13 ILE 22 -4.649 -11.731 -5.971
178 HG21 ILE 22 HG21 ILE 22 -6.398 -12.148 -9.262
179 HG22 ILE 22 HG22 ILE 22 -4.981 -11.927 -10.263
180 HG23 ILE 22 HG23 ILE 22 -5.164 -13.429 -9.329
181 HD11 ILE 22 HD11 ILE 22 -6.869 -12.438 -5.547
182 HD12 ILE 22 HD12 ILE 22 -6.973 -11.167 -6.783
183 HD13 ILE 22 HD13 ILE 22 -7.154 -12.881 -7.235
184 H THR 23 H THR 23 -2.521 -9.501 -8.719
185 HA THR 23 HA THR 23 -2.080 -9.829 -11.635
186 HB THR 23 HB THR 23 -2.888 -7.671 -11.967
187 HG1 THR 23 HG1 THR 23 -3.522 -6.600 -9.830
188 HG21 THR 23 HG21 THR 23 -4.598 -8.646 -9.640
189 HG22 THR 23 HG22 THR 23 -5.080 -7.603 -10.991
190 HG23 THR 23 HG23 THR 23 -4.690 -9.306 -11.289
191 H ASN 24 H ASN 24 -0.175 -9.258 -8.949
192 HA ASN 24 HA ASN 24 1.858 -8.505 -8.529
193 HB2 ASN 24 HB2 ASN 24 2.404 -8.759 -11.504
194 HB3 ASN 24 HB3 ASN 24 3.619 -8.575 -10.233
195 HD21 ASN 24 HD21 ASN 24 2.162 -10.872 -12.136
196 HD22 ASN 24 HD22 ASN 24 2.458 -12.262 -11.085
197 H ALA 25 H ALA 25 -0.357 -6.515 -9.517
198 HA ALA 25 HA ALA 25 1.117 -4.112 -10.165
199 HB1 ALA 25 HB1 ALA 25 -1.290 -4.412 -10.644
200 HB2 ALA 25 HB2 ALA 25 -1.631 -4.481 -8.899
201 HB3 ALA 25 HB3 ALA 25 -1.000 -2.988 -9.626
202 H SER 26 H SER 26 1.553 -2.299 -8.791
203 HA SER 26 HA SER 26 1.513 -2.716 -5.865
204 HB2 SER 26 HB2 SER 26 3.823 -2.004 -5.589
205 HB3 SER 26 HB3 SER 26 3.710 -3.509 -6.506
206 HG SER 26 HG SER 26 5.183 -2.068 -7.460
207 H GLN 27 H GLN 27 1.535 -0.806 -4.624
208 HA GLN 27 HA GLN 27 1.639 1.832 -5.958
209 HB2 GLN 27 HB2 GLN 27 -0.834 0.769 -4.522
210 HB3 GLN 27 HB3 GLN 27 -0.468 2.490 -4.711
211 HG2 GLN 27 HG2 GLN 27 -0.426 2.233 -7.154
212 HG3 GLN 27 HG3 GLN 27 -0.963 0.549 -6.974
213 HE21 GLN 27 HE21 GLN 27 -2.479 2.594 -4.574
214 HE22 GLN 27 HE22 GLN 27 -3.926 2.931 -5.528
215 H PHE 28 H PHE 28 2.301 3.482 -4.686
216 HA PHE 28 HA PHE 28 3.036 2.950 -1.903
217 HB2 PHE 28 HB2 PHE 28 3.442 5.307 -3.724
218 HB3 PHE 28 HB3 PHE 28 3.730 5.408 -1.984
219 HD1 PHE 28 HD1 PHE 28 4.986 4.025 -5.151
220 HD2 PHE 28 HD2 PHE 28 5.502 4.104 -0.868
221 HE1 PHE 28 HE1 PHE 28 7.275 3.092 -5.408
222 HE2 PHE 28 HE2 PHE 28 7.795 3.188 -1.132
223 HZ PHE 28 HZ PHE 28 8.686 2.680 -3.401
224 H GLU 29 H GLU 29 0.252 4.110 -3.426
225 HA GLU 29 HA GLU 29 -0.876 5.183 -0.882
226 HB2 GLU 29 HB2 GLU 29 -0.848 6.918 -2.497
227 HB3 GLU 29 HB3 GLU 29 -1.384 5.848 -3.779
228 HG2 GLU 29 HG2 GLU 29 -3.113 7.403 -3.232
229 HG3 GLU 29 HG3 GLU 29 -3.636 5.765 -2.890
230 H ARG 30 H ARG 30 -2.958 4.585 -0.272
231 HA ARG 30 HA ARG 30 -3.493 1.835 -0.383
232 HB2 ARG 30 HB2 ARG 30 -4.104 3.196 1.463
233 HB3 ARG 30 HB3 ARG 30 -5.201 4.180 0.506
234 HG2 ARG 30 HG2 ARG 30 -5.693 1.201 0.715
235 HG3 ARG 30 HG3 ARG 30 -6.063 2.233 2.104
236 HD2 ARG 30 HD2 ARG 30 -7.850 3.242 1.120
237 HD3 ARG 30 HD3 ARG 30 -7.118 3.267 -0.474
238 HE ARG 30 HE ARG 30 -8.116 1.288 -1.024
239 HH11 ARG 30 HH11 ARG 30 -9.506 -0.369 -0.842
240 HH12 ARG 30 HH12 ARG 30 -9.899 -1.007 0.753
241 HH21 ARG 30 HH21 ARG 30 -8.197 1.343 2.504
242 HH22 ARG 30 HH22 ARG 30 -9.137 -0.141 2.528
243 HA PRO 31 HA PRO 31 -5.263 1.567 -4.409
244 HB2 PRO 31 HB2 PRO 31 -5.888 -1.093 -4.554
245 HB3 PRO 31 HB3 PRO 31 -4.205 -0.477 -4.500
246 HG2 PRO 31 HG2 PRO 31 -5.894 -1.456 -2.170
247 HG3 PRO 31 HG3 PRO 31 -4.228 -1.963 -2.608
248 HD2 PRO 31 HD2 PRO 31 -4.636 -0.084 -0.736
249 HD3 PRO 31 HD3 PRO 31 -3.320 0.106 -1.934
250 H SER 32 H SER 32 -7.126 1.828 -5.469
251 HA SER 32 HA SER 32 -9.713 1.630 -4.041
252 HB2 SER 32 HB2 SER 32 -9.115 3.657 -5.311
253 HB3 SER 32 HB3 SER 32 -9.004 2.698 -6.797
254 HG SER 32 HG SER 32 -11.032 3.756 -6.540
255 H GLY 33 H GLY 33 -7.995 0.031 -6.668
256 HA2 GLY 33 HA2 GLY 33 -9.491 -2.398 -6.629
257 HA3 GLY 33 HA3 GLY 33 -10.105 -1.386 -7.936
258 H1 GAL 101 H1 GAL 34 11.873 2.094 0.781
259 H2 GAL 101 H2 GAL 34 13.683 4.354 -0.229
260 H3 GAL 101 H3 GAL 34 10.687 3.889 -0.631
261 H4 GAL 101 H4 GAL 34 11.192 3.446 -2.977
262 H5 GAL 101 H5 GAL 34 11.236 1.498 -1.505
263 H61 GAL 101 H61 GAL 34 12.607 -0.088 -2.742
264 H62 GAL 101 H62 GAL 34 11.867 1.064 -3.873
265 HO2 GAL 101 H2O GAL 34 11.672 4.225 1.812
266 HO3 GAL 101 H3O GAL 34 11.529 6.111 -0.568
267 HO4 GAL 101 H4O GAL 34 13.101 4.841 -2.909
268 HO6 GAL 101 H6O GAL 34 13.954 2.284 -3.422
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -12.058 -3.981 4.409
2 H2 LYS 1 H2 LYS 1 -11.005 -4.774 3.443
3 H3 LYS 1 H3 LYS 1 -12.213 -3.881 2.787
4 HA LYS 1 HA LYS 1 -11.308 -1.851 3.649
5 HB2 LYS 1 HB2 LYS 1 -10.273 -2.824 5.661
6 HB3 LYS 1 HB3 LYS 1 -9.022 -3.581 4.672
7 HG2 LYS 1 HG2 LYS 1 -8.280 -1.294 3.925
8 HG3 LYS 1 HG3 LYS 1 -9.527 -0.586 4.969
9 HD2 LYS 1 HD2 LYS 1 -8.433 -1.641 6.956
10 HD3 LYS 1 HD3 LYS 1 -7.229 -2.377 5.892
11 HE2 LYS 1 HE2 LYS 1 -6.216 -0.459 6.889
12 HE3 LYS 1 HE3 LYS 1 -6.479 -0.104 5.179
13 HZ1 LYS 1 HZ1 LYS 1 -8.454 1.181 5.833
14 HZ2 LYS 1 HZ2 LYS 1 -8.212 0.825 7.411
15 HZ3 LYS 1 HZ3 LYS 1 -7.137 1.751 6.609
16 H LEU 2 H LEU 2 -8.714 -4.099 2.553
17 HA LEU 2 HA LEU 2 -8.136 -2.463 0.201
18 HB2 LEU 2 HB2 LEU 2 -7.039 -4.940 1.515
19 HB3 LEU 2 HB3 LEU 2 -6.726 -4.711 -0.203
20 HG LEU 2 HG LEU 2 -5.561 -2.650 0.146
21 HD11 LEU 2 HD11 LEU 2 -6.740 -1.631 2.030
22 HD12 LEU 2 HD12 LEU 2 -6.143 -2.911 3.120
23 HD13 LEU 2 HD13 LEU 2 -5.010 -1.762 2.362
24 HD21 LEU 2 HD21 LEU 2 -4.289 -4.702 0.406
25 HD22 LEU 2 HD22 LEU 2 -3.663 -3.494 1.531
26 HD23 LEU 2 HD23 LEU 2 -4.705 -4.796 2.131
27 HA PRO 3 HA PRO 3 -10.866 -4.729 -2.581
28 HB2 PRO 3 HB2 PRO 3 -8.930 -4.326 -4.801
29 HB3 PRO 3 HB3 PRO 3 -10.606 -3.730 -4.640
30 HG2 PRO 3 HG2 PRO 3 -8.436 -2.073 -4.413
31 HG3 PRO 3 HG3 PRO 3 -9.924 -1.834 -3.438
32 HD2 PRO 3 HD2 PRO 3 -7.346 -3.212 -2.633
33 HD3 PRO 3 HD3 PRO 3 -8.305 -1.973 -1.758
34 HA PRO 4 HA PRO 4 -9.607 -8.909 -3.151
35 HB2 PRO 4 HB2 PRO 4 -10.187 -8.736 -6.113
36 HB3 PRO 4 HB3 PRO 4 -10.682 -9.997 -4.935
37 HG2 PRO 4 HG2 PRO 4 -12.448 -8.090 -5.673
38 HG3 PRO 4 HG3 PRO 4 -12.295 -8.523 -3.936
39 HD2 PRO 4 HD2 PRO 4 -11.064 -6.173 -5.404
40 HD3 PRO 4 HD3 PRO 4 -11.913 -6.203 -3.826
41 H GLY 5 H GLY 5 -7.733 -9.972 -3.280
42 HA2 GLY 5 HA2 GLY 5 -5.661 -10.707 -3.983
43 HA3 GLY 5 HA3 GLY 5 -5.785 -9.682 -5.426
44 H TRP 6 H TRP 6 -6.254 -7.340 -3.293
45 HA TRP 6 HA TRP 6 -3.435 -6.581 -3.154
46 HB2 TRP 6 HB2 TRP 6 -5.962 -5.194 -2.281
47 HB3 TRP 6 HB3 TRP 6 -4.340 -4.548 -2.028
48 HD1 TRP 6 HD1 TRP 6 -6.883 -5.192 -4.772
49 HE1 TRP 6 HE1 TRP 6 -6.284 -3.803 -6.854
50 HE3 TRP 6 HE3 TRP 6 -2.198 -3.698 -3.384
51 HZ2 TRP 6 HZ2 TRP 6 -3.934 -2.467 -7.891
52 HZ3 TRP 6 HZ3 TRP 6 -0.766 -2.423 -4.972
53 HH2 TRP 6 HH2 TRP 6 -1.621 -1.801 -7.214
54 H GLU 7 H GLU 7 -2.109 -6.434 -1.480
55 HA GLU 7 HA GLU 7 -3.039 -6.729 1.315
56 HB2 GLU 7 HB2 GLU 7 -0.873 -8.404 -0.026
57 HB3 GLU 7 HB3 GLU 7 -1.013 -8.238 1.717
58 HG2 GLU 7 HG2 GLU 7 -3.111 -9.472 -0.117
59 HG3 GLU 7 HG3 GLU 7 -1.950 -10.343 0.866
60 H LYS 8 H LYS 8 -1.508 -5.886 2.876
61 HA LYS 8 HA LYS 8 0.204 -3.709 1.870
62 HB2 LYS 8 HB2 LYS 8 -0.501 -4.714 4.630
63 HB3 LYS 8 HB3 LYS 8 0.916 -3.681 4.385
64 HG2 LYS 8 HG2 LYS 8 -0.440 -1.948 3.314
65 HG3 LYS 8 HG3 LYS 8 -1.880 -2.977 3.433
66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.331 5.187
67 HD3 LYS 8 HD3 LYS 8 -1.672 -2.905 5.936
68 HE2 LYS 8 HE2 LYS 8 0.771 -2.325 6.077
69 HE3 LYS 8 HE3 LYS 8 0.425 -0.764 5.329
70 HZ1 LYS 8 HZ1 LYS 8 0.525 -0.593 7.749
71 HZ2 LYS 8 HZ2 LYS 8 -0.984 -0.232 7.242
72 HZ3 LYS 8 HZ3 LYS 8 -0.676 -1.682 7.931
73 H ARG 9 H ARG 9 2.360 -3.569 1.921
74 HA ARG 9 HA ARG 9 4.069 -5.935 2.491
75 HB2 ARG 9 HB2 ARG 9 3.121 -6.022 0.123
76 HB3 ARG 9 HB3 ARG 9 4.055 -4.569 -0.241
77 HG2 ARG 9 HG2 ARG 9 6.142 -5.762 0.087
78 HG3 ARG 9 HG3 ARG 9 5.298 -7.145 0.831
79 HD2 ARG 9 HD2 ARG 9 4.192 -7.664 -1.292
80 HD3 ARG 9 HD3 ARG 9 4.944 -6.237 -2.049
81 HE ARG 9 HE ARG 9 6.864 -8.099 -0.866
82 HH11 ARG 9 HH11 ARG 9 5.056 -7.552 -3.831
83 HH12 ARG 9 HH12 ARG 9 6.304 -8.264 -4.810
84 HH21 ARG 9 HH21 ARG 9 8.365 -9.044 -2.182
85 HH22 ARG 9 HH22 ARG 9 8.102 -9.110 -3.902
86 H MET 10 H MET 10 6.471 -5.300 2.173
87 HA MET 10 HA MET 10 7.008 -2.455 2.729
88 HB2 MET 10 HB2 MET 10 6.179 -3.476 4.884
89 HB3 MET 10 HB3 MET 10 7.537 -4.603 4.819
90 HG2 MET 10 HG2 MET 10 9.094 -2.600 4.850
91 HG3 MET 10 HG3 MET 10 7.671 -1.574 5.011
92 HE1 MET 10 HE1 MET 10 9.461 -4.343 8.247
93 HE2 MET 10 HE2 MET 10 8.793 -5.024 6.750
94 HE3 MET 10 HE3 MET 10 10.203 -3.940 6.684
95 H PHE 11 H PHE 11 8.972 -1.834 2.255
96 HA PHE 11 HA PHE 11 10.866 -3.587 0.941
97 HB2 PHE 11 HB2 PHE 11 10.834 -0.651 1.626
98 HB3 PHE 11 HB3 PHE 11 12.183 -1.423 0.780
99 HD1 PHE 11 HD1 PHE 11 9.052 0.229 0.390
100 HD2 PHE 11 HD2 PHE 11 11.614 -2.724 -1.431
101 HE1 PHE 11 HE1 PHE 11 7.925 0.598 -1.780
102 HE2 PHE 11 HE2 PHE 11 10.479 -2.353 -3.612
103 HZ PHE 11 HZ PHE 11 8.639 -0.686 -3.793
104 H ALA 12 H ALA 12 13.188 -3.676 1.401
105 HA ALA 12 HA ALA 12 13.770 -4.597 4.027
106 HB1 ALA 12 HB1 ALA 12 14.929 -5.326 1.971
107 HB2 ALA 12 HB2 ALA 12 15.642 -3.705 1.788
108 HB3 ALA 12 HB3 ALA 12 16.083 -4.722 3.175
109 H ASN 13 H ASN 13 13.889 -1.349 2.761
110 HA ASN 13 HA ASN 13 15.525 -0.234 4.926
111 HB2 ASN 13 HB2 ASN 13 15.032 1.924 3.833
112 HB3 ASN 13 HB3 ASN 13 15.657 0.717 2.697
113 HD21 ASN 13 HD21 ASN 13 14.764 2.182 1.071
114 H GLY 14 H GLY 14 12.342 -1.330 4.904
115 HA2 GLY 14 HA2 GLY 14 10.864 -1.250 6.697
116 HA3 GLY 14 HA3 GLY 14 11.681 0.176 7.357
117 H THR 15 H THR 15 10.813 0.484 3.991
118 HA THR 15 HA THR 15 8.627 2.392 4.674
119 HB THR 15 HB THR 15 10.175 1.726 2.139
120 HG1 THR 15 HG1 THR 15 10.918 3.782 2.432
121 HG21 THR 15 HG21 THR 15 7.967 2.312 1.328
122 HG22 THR 15 HG22 THR 15 7.878 3.697 2.445
123 HG23 THR 15 HG23 THR 15 9.042 3.693 1.100
124 H VAL 16 H VAL 16 6.527 1.950 4.372
125 HA VAL 16 HA VAL 16 5.693 -0.755 3.471
126 HB VAL 16 HB VAL 16 4.347 1.485 5.023
127 HG11 VAL 16 HG11 VAL 16 2.425 -0.013 5.388
128 HG12 VAL 16 HG12 VAL 16 2.542 0.484 3.704
129 HG13 VAL 16 HG13 VAL 16 3.069 -1.151 4.181
130 HG21 VAL 16 HG21 VAL 16 4.269 -0.196 6.823
131 HG22 VAL 16 HG22 VAL 16 5.035 -1.392 5.764
132 HG23 VAL 16 HG23 VAL 16 5.939 0.050 6.282
133 H TYR 17 H TYR 17 4.202 -1.121 1.895
134 HA TYR 17 HA TYR 17 2.955 1.028 0.328
135 HB2 TYR 17 HB2 TYR 17 3.909 0.369 -1.774
136 HB3 TYR 17 HB3 TYR 17 5.211 0.768 -0.695
137 HD1 TYR 17 HD1 TYR 17 6.532 -1.168 0.422
138 HD2 TYR 17 HD2 TYR 17 3.863 -1.706 -2.929
139 HE1 TYR 17 HE1 TYR 17 7.773 -3.221 -0.252
140 HE2 TYR 17 HE2 TYR 17 5.081 -3.771 -3.570
141 HH TYR 17 HH TYR 17 6.989 -5.006 -3.228
142 H TYR 18 H TYR 18 1.752 -0.223 -1.594
143 HA TYR 18 HA TYR 18 0.324 -2.570 -0.404
144 HB2 TYR 18 HB2 TYR 18 -0.716 -0.419 -2.278
145 HB3 TYR 18 HB3 TYR 18 -1.628 -1.796 -1.642
146 HD1 TYR 18 HD1 TYR 18 -0.134 1.489 -0.839
147 HD2 TYR 18 HD2 TYR 18 -2.400 -1.846 0.706
148 HE1 TYR 18 HE1 TYR 18 -0.693 2.811 1.192
149 HE2 TYR 18 HE2 TYR 18 -2.937 -0.532 2.743
150 HH TYR 18 HH TYR 18 -1.771 2.818 3.204
151 H PHE 19 H PHE 19 0.024 -4.373 -1.623
152 HA PHE 19 HA PHE 19 1.025 -4.436 -4.428
153 HB2 PHE 19 HB2 PHE 19 2.946 -4.861 -3.054
154 HB3 PHE 19 HB3 PHE 19 2.070 -6.081 -2.118
155 HD1 PHE 19 HD1 PHE 19 3.187 -5.221 -5.548
156 HD2 PHE 19 HD2 PHE 19 2.069 -8.407 -2.866
157 HE1 PHE 19 HE1 PHE 19 3.825 -6.855 -7.257
158 HE2 PHE 19 HE2 PHE 19 2.787 -10.070 -4.562
159 HZ PHE 19 HZ PHE 19 3.656 -9.316 -6.768
160 H ASN 20 H ASN 20 -0.068 -5.715 -5.790
161 HA ASN 20 HA ASN 20 -2.220 -7.429 -4.672
162 HB2 ASN 20 HB2 ASN 20 -2.689 -5.676 -6.433
163 HB3 ASN 20 HB3 ASN 20 -1.762 -6.670 -7.568
164 HD21 ASN 20 HD21 ASN 20 -5.593 -7.597 -6.904
165 HD22 ASN 20 HD22 ASN 20 -4.865 -6.041 -6.520
166 H HIS 21 H HIS 21 -1.804 -9.522 -4.356
167 HA HIS 21 HA HIS 21 0.634 -10.719 -5.398
168 HB2 HIS 21 HB2 HIS 21 0.281 -12.408 -3.897
169 HB3 HIS 21 HB3 HIS 21 -0.516 -11.057 -3.094
170 HD2 HIS 21 HD2 HIS 21 -3.145 -11.294 -2.641
171 HE1 HIS 21 HE1 HIS 21 -3.647 -15.234 -4.187
172 HE2 HIS 21 HE2 HIS 21 -4.749 -13.372 -2.845
173 H ILE 22 H ILE 22 -2.612 -10.632 -6.589
174 HA ILE 22 HA ILE 22 -2.431 -13.093 -8.182
175 HB ILE 22 HB ILE 22 -4.553 -10.900 -8.178
176 HG12 ILE 22 HG12 ILE 22 -4.330 -13.408 -6.448
177 HG13 ILE 22 HG13 ILE 22 -4.327 -11.726 -5.892
178 HG21 ILE 22 HG21 ILE 22 -4.681 -13.820 -9.043
179 HG22 ILE 22 HG22 ILE 22 -6.013 -12.641 -9.114
180 HG23 ILE 22 HG23 ILE 22 -4.607 -12.420 -10.137
181 HD11 ILE 22 HD11 ILE 22 -6.443 -12.623 -5.368
182 HD12 ILE 22 HD12 ILE 22 -6.689 -11.500 -6.723
183 HD13 ILE 22 HD13 ILE 22 -6.690 -13.262 -7.001
184 H THR 23 H THR 23 -2.382 -9.580 -8.691
185 HA THR 23 HA THR 23 -1.886 -9.924 -11.596
186 HB THR 23 HB THR 23 -2.796 -7.810 -11.962
187 HG1 THR 23 HG1 THR 23 -3.517 -6.779 -9.819
188 HG21 THR 23 HG21 THR 23 -4.480 -8.855 -9.647
189 HG22 THR 23 HG22 THR 23 -4.999 -7.847 -11.013
190 HG23 THR 23 HG23 THR 23 -4.517 -9.530 -11.292
191 H ASN 24 H ASN 24 -0.044 -9.211 -8.898
192 HA ASN 24 HA ASN 24 1.949 -8.358 -8.474
193 HB2 ASN 24 HB2 ASN 24 2.535 -8.603 -11.442
194 HB3 ASN 24 HB3 ASN 24 3.726 -8.367 -10.155
195 HD21 ASN 24 HD21 ASN 24 2.353 -10.725 -12.065
196 HD22 ASN 24 HD22 ASN 24 2.707 -12.102 -11.016
197 H ALA 25 H ALA 25 -0.356 -6.482 -9.483
198 HA ALA 25 HA ALA 25 0.988 -4.022 -10.169
199 HB1 ALA 25 HB1 ALA 25 -1.159 -2.987 -9.574
200 HB2 ALA 25 HB2 ALA 25 -1.415 -4.430 -10.573
201 HB3 ALA 25 HB3 ALA 25 -1.701 -4.500 -8.819
202 H SER 26 H SER 26 1.451 -2.196 -8.831
203 HA SER 26 HA SER 26 1.502 -2.576 -5.899
204 HB2 SER 26 HB2 SER 26 3.822 -1.863 -5.707
205 HB3 SER 26 HB3 SER 26 3.672 -3.384 -6.591
206 HG SER 26 HG SER 26 5.121 -1.969 -7.617
207 H GLN 27 H GLN 27 1.515 -0.669 -4.680
208 HA GLN 27 HA GLN 27 1.673 1.974 -5.997
209 HB2 GLN 27 HB2 GLN 27 -0.831 0.946 -4.594
210 HB3 GLN 27 HB3 GLN 27 -0.436 2.665 -4.779
211 HG2 GLN 27 HG2 GLN 27 -0.478 2.522 -7.167
212 HG3 GLN 27 HG3 GLN 27 -0.885 0.789 -7.097
213 HE21 GLN 27 HE21 GLN 27 -2.465 2.712 -4.603
214 HE22 GLN 27 HE22 GLN 27 -3.985 2.893 -5.479
215 H PHE 28 H PHE 28 2.209 3.652 -4.662
216 HA PHE 28 HA PHE 28 2.909 3.063 -1.869
217 HB2 PHE 28 HB2 PHE 28 3.407 5.436 -3.646
218 HB3 PHE 28 HB3 PHE 28 3.665 5.493 -1.900
219 HD1 PHE 28 HD1 PHE 28 5.325 3.996 -0.778
220 HD2 PHE 28 HD2 PHE 28 5.007 4.272 -5.072
221 HE1 PHE 28 HE1 PHE 28 7.597 3.022 -1.014
222 HE2 PHE 28 HE2 PHE 28 7.275 3.285 -5.302
223 HZ PHE 28 HZ PHE 28 8.577 2.667 -3.274
224 H GLU 29 H GLU 29 0.267 4.493 -3.509
225 HA GLU 29 HA GLU 29 -0.997 5.420 -0.968
226 HB2 GLU 29 HB2 GLU 29 -1.036 7.149 -2.596
227 HB3 GLU 29 HB3 GLU 29 -1.459 6.038 -3.887
228 HG2 GLU 29 HG2 GLU 29 -3.296 7.496 -3.399
229 HG3 GLU 29 HG3 GLU 29 -3.728 5.825 -3.093
230 H ARG 30 H ARG 30 -3.174 4.649 -0.476
231 HA ARG 30 HA ARG 30 -3.265 1.846 -0.738
232 HB2 ARG 30 HB2 ARG 30 -5.306 1.806 0.438
233 HB3 ARG 30 HB3 ARG 30 -4.284 3.027 1.152
234 HG2 ARG 30 HG2 ARG 30 -5.695 4.736 0.653
235 HG3 ARG 30 HG3 ARG 30 -6.203 4.079 -0.907
236 HD2 ARG 30 HD2 ARG 30 -7.126 3.056 1.794
237 HD3 ARG 30 HD3 ARG 30 -8.045 4.144 0.740
238 HE ARG 30 HE ARG 30 -7.594 2.028 -0.948
239 HH11 ARG 30 HH11 ARG 30 -8.957 2.054 2.304
240 HH12 ARG 30 HH12 ARG 30 -9.852 0.582 1.979
241 HH21 ARG 30 HH21 ARG 30 -8.772 0.276 -1.240
242 HH22 ARG 30 HH22 ARG 30 -9.718 -0.421 0.088
243 HA PRO 31 HA PRO 31 -5.181 1.058 -4.625
244 HB2 PRO 31 HB2 PRO 31 -6.113 -1.484 -4.265
245 HB3 PRO 31 HB3 PRO 31 -4.368 -1.071 -4.375
246 HG2 PRO 31 HG2 PRO 31 -6.043 -1.471 -1.871
247 HG3 PRO 31 HG3 PRO 31 -4.450 -2.204 -2.260
248 HD2 PRO 31 HD2 PRO 31 -4.669 0.003 -0.712
249 HD3 PRO 31 HD3 PRO 31 -3.340 -0.165 -1.906
250 H SER 32 H SER 32 -7.155 0.817 -5.730
251 HA SER 32 HA SER 32 -9.690 0.898 -4.148
252 HB2 SER 32 HB2 SER 32 -10.500 2.692 -5.600
253 HB3 SER 32 HB3 SER 32 -9.040 3.174 -4.721
254 HG SER 32 HG SER 32 -8.948 3.751 -6.936
255 H GLY 33 H GLY 33 -8.078 -0.725 -6.624
256 HA2 GLY 33 HA2 GLY 33 -10.067 -2.573 -7.178
257 HA3 GLY 33 HA3 GLY 33 -10.278 -1.337 -8.420
258 H1 GAL 101 H1 GAL 34 11.869 1.613 0.595
259 H2 GAL 101 H2 GAL 34 13.497 4.022 -0.378
260 H3 GAL 101 H3 GAL 34 10.578 3.247 -0.875
261 H4 GAL 101 H4 GAL 34 11.219 2.848 -3.204
262 H5 GAL 101 H5 GAL 34 11.396 0.933 -1.713
263 H61 GAL 101 H61 GAL 34 12.942 -0.530 -2.876
264 H62 GAL 101 H62 GAL 34 12.163 0.553 -4.049
265 HO2 GAL 101 H2O GAL 34 12.806 4.463 1.662
266 HO3 GAL 101 H3O GAL 34 11.147 5.536 -0.805
267 HO4 GAL 101 H4O GAL 34 12.975 4.426 -3.084
268 HO6 GAL 101 H6O GAL 34 14.110 1.949 -3.519
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -11.889 -5.082 4.865
2 H2 LYS 1 H2 LYS 1 -11.586 -5.450 3.301
3 H3 LYS 1 H3 LYS 1 -12.080 -3.942 3.711
4 HA LYS 1 HA LYS 1 -10.086 -3.521 4.945
5 HB2 LYS 1 HB2 LYS 1 -9.678 -5.838 5.658
6 HB3 LYS 1 HB3 LYS 1 -9.226 -6.290 4.015
7 HG2 LYS 1 HG2 LYS 1 -7.321 -4.637 4.147
8 HG3 LYS 1 HG3 LYS 1 -7.770 -4.310 5.828
9 HD2 LYS 1 HD2 LYS 1 -7.339 -6.697 6.384
10 HD3 LYS 1 HD3 LYS 1 -6.939 -7.018 4.680
11 HE2 LYS 1 HE2 LYS 1 -5.111 -5.303 4.827
12 HE3 LYS 1 HE3 LYS 1 -5.466 -5.108 6.551
13 HZ1 LYS 1 HZ1 LYS 1 -3.647 -6.669 6.176
14 HZ2 LYS 1 HZ2 LYS 1 -4.911 -7.481 6.835
15 HZ3 LYS 1 HZ3 LYS 1 -4.562 -7.616 5.231
16 H LEU 2 H LEU 2 -9.147 -5.442 2.079
17 HA LEU 2 HA LEU 2 -8.624 -2.955 0.536
18 HB2 LEU 2 HB2 LEU 2 -6.931 -5.436 1.010
19 HB3 LEU 2 HB3 LEU 2 -6.621 -4.344 -0.343
20 HG LEU 2 HG LEU 2 -6.663 -3.317 2.513
21 HD11 LEU 2 HD11 LEU 2 -4.960 -5.100 2.341
22 HD12 LEU 2 HD12 LEU 2 -4.278 -4.301 0.905
23 HD13 LEU 2 HD13 LEU 2 -4.216 -3.499 2.493
24 HD21 LEU 2 HD21 LEU 2 -6.844 -1.690 0.615
25 HD22 LEU 2 HD22 LEU 2 -5.386 -1.489 1.595
26 HD23 LEU 2 HD23 LEU 2 -5.290 -2.296 0.012
27 HA PRO 3 HA PRO 3 -10.813 -4.857 -2.778
28 HB2 PRO 3 HB2 PRO 3 -8.841 -4.041 -4.836
29 HB3 PRO 3 HB3 PRO 3 -10.527 -3.502 -4.605
30 HG2 PRO 3 HG2 PRO 3 -8.365 -1.902 -4.054
31 HG3 PRO 3 HG3 PRO 3 -9.898 -1.816 -3.118
32 HD2 PRO 3 HD2 PRO 3 -7.337 -3.257 -2.419
33 HD3 PRO 3 HD3 PRO 3 -8.365 -2.224 -1.387
34 HA PRO 4 HA PRO 4 -9.615 -8.865 -3.869
35 HB2 PRO 4 HB2 PRO 4 -9.820 -8.270 -6.831
36 HB3 PRO 4 HB3 PRO 4 -10.455 -9.676 -5.914
37 HG2 PRO 4 HG2 PRO 4 -12.112 -7.638 -6.536
38 HG3 PRO 4 HG3 PRO 4 -12.143 -8.316 -4.873
39 HD2 PRO 4 HD2 PRO 4 -10.761 -5.809 -5.860
40 HD3 PRO 4 HD3 PRO 4 -11.742 -6.056 -4.381
41 H GLY 5 H GLY 5 -7.714 -9.732 -3.570
42 HA2 GLY 5 HA2 GLY 5 -5.603 -10.562 -4.024
43 HA3 GLY 5 HA3 GLY 5 -5.513 -9.556 -5.482
44 H TRP 6 H TRP 6 -6.211 -7.194 -3.389
45 HA TRP 6 HA TRP 6 -3.418 -6.413 -3.107
46 HB2 TRP 6 HB2 TRP 6 -5.998 -5.073 -2.336
47 HB3 TRP 6 HB3 TRP 6 -4.405 -4.373 -2.030
48 HD1 TRP 6 HD1 TRP 6 -6.896 -5.025 -4.788
49 HE1 TRP 6 HE1 TRP 6 -6.201 -3.822 -6.947
50 HE3 TRP 6 HE3 TRP 6 -2.174 -3.640 -3.421
51 HZ2 TRP 6 HZ2 TRP 6 -3.798 -2.682 -8.033
52 HZ3 TRP 6 HZ3 TRP 6 -0.670 -2.534 -5.066
53 HH2 TRP 6 HH2 TRP 6 -1.464 -2.050 -7.369
54 H GLU 7 H GLU 7 -2.133 -6.331 -1.402
55 HA GLU 7 HA GLU 7 -3.178 -6.364 1.340
56 HB2 GLU 7 HB2 GLU 7 -1.639 -8.617 0.138
57 HB3 GLU 7 HB3 GLU 7 -0.977 -8.022 1.646
58 HG2 GLU 7 HG2 GLU 7 -3.826 -8.994 1.236
59 HG3 GLU 7 HG3 GLU 7 -2.520 -9.869 2.025
60 H LYS 8 H LYS 8 -1.516 -5.826 2.947
61 HA LYS 8 HA LYS 8 0.264 -3.680 2.004
62 HB2 LYS 8 HB2 LYS 8 -0.404 -4.764 4.745
63 HB3 LYS 8 HB3 LYS 8 0.987 -3.693 4.490
64 HG2 LYS 8 HG2 LYS 8 -0.439 -1.986 3.450
65 HG3 LYS 8 HG3 LYS 8 -1.851 -3.048 3.614
66 HD2 LYS 8 HD2 LYS 8 -1.969 -1.433 5.372
67 HD3 LYS 8 HD3 LYS 8 -1.515 -2.969 6.128
68 HE2 LYS 8 HE2 LYS 8 0.888 -2.221 6.121
69 HE3 LYS 8 HE3 LYS 8 0.393 -0.704 5.362
70 HZ1 LYS 8 HZ1 LYS 8 -0.942 -0.225 7.341
71 HZ2 LYS 8 HZ2 LYS 8 -0.492 -1.631 8.043
72 HZ3 LYS 8 HZ3 LYS 8 0.615 -0.465 7.767
73 H ARG 9 H ARG 9 2.378 -3.542 2.060
74 HA ARG 9 HA ARG 9 4.123 -5.931 2.402
75 HB2 ARG 9 HB2 ARG 9 3.055 -5.343 -0.087
76 HB3 ARG 9 HB3 ARG 9 4.436 -4.275 -0.085
77 HG2 ARG 9 HG2 ARG 9 5.317 -6.156 -1.075
78 HG3 ARG 9 HG3 ARG 9 5.783 -6.464 0.608
79 HD2 ARG 9 HD2 ARG 9 3.488 -7.673 -0.990
80 HD3 ARG 9 HD3 ARG 9 4.935 -8.497 -0.390
81 HE ARG 9 HE ARG 9 2.754 -7.377 1.364
82 HH11 ARG 9 HH11 ARG 9 2.157 -8.411 3.094
83 HH12 ARG 9 HH12 ARG 9 2.801 -9.997 3.488
84 HH21 ARG 9 HH21 ARG 9 4.931 -10.081 0.779
85 HH22 ARG 9 HH22 ARG 9 4.356 -10.915 2.200
86 H MET 10 H MET 10 6.491 -5.256 2.170
87 HA MET 10 HA MET 10 7.034 -2.432 2.777
88 HB2 MET 10 HB2 MET 10 6.246 -3.476 4.946
89 HB3 MET 10 HB3 MET 10 7.629 -4.571 4.857
90 HG2 MET 10 HG2 MET 10 9.137 -2.531 4.852
91 HG3 MET 10 HG3 MET 10 7.694 -1.535 5.028
92 HE1 MET 10 HE1 MET 10 8.940 -4.940 6.771
93 HE2 MET 10 HE2 MET 10 10.316 -3.817 6.675
94 HE3 MET 10 HE3 MET 10 9.611 -4.231 8.253
95 H PHE 11 H PHE 11 8.999 -1.803 2.298
96 HA PHE 11 HA PHE 11 10.894 -3.559 0.968
97 HB2 PHE 11 HB2 PHE 11 10.816 -0.615 1.601
98 HB3 PHE 11 HB3 PHE 11 12.182 -1.374 0.770
99 HD1 PHE 11 HD1 PHE 11 11.597 -2.762 -1.410
100 HD2 PHE 11 HD2 PHE 11 9.074 0.271 0.336
101 HE1 PHE 11 HE1 PHE 11 10.472 -2.426 -3.602
102 HE2 PHE 11 HE2 PHE 11 7.961 0.606 -1.844
103 HZ PHE 11 HZ PHE 11 8.658 -0.736 -3.826
104 H ALA 12 H ALA 12 13.226 -3.587 1.410
105 HA ALA 12 HA ALA 12 13.843 -4.463 4.044
106 HB1 ALA 12 HB1 ALA 12 15.682 -3.580 1.773
107 HB2 ALA 12 HB2 ALA 12 16.150 -4.569 3.174
108 HB3 ALA 12 HB3 ALA 12 14.993 -5.209 1.991
109 H ASN 13 H ASN 13 13.909 -1.232 2.727
110 HA ASN 13 HA ASN 13 15.547 -0.055 4.857
111 HB2 ASN 13 HB2 ASN 13 14.967 2.083 3.746
112 HB3 ASN 13 HB3 ASN 13 15.634 0.885 2.626
113 HD21 ASN 13 HD21 ASN 13 14.670 2.335 1.007
114 H GLY 14 H GLY 14 12.388 -1.219 4.892
115 HA2 GLY 14 HA2 GLY 14 10.910 -1.129 6.684
116 HA3 GLY 14 HA3 GLY 14 11.715 0.312 7.326
117 H THR 15 H THR 15 10.840 0.547 3.955
118 HA THR 15 HA THR 15 8.657 2.468 4.596
119 HB THR 15 HB THR 15 10.177 1.733 2.064
120 HG1 THR 15 HG1 THR 15 10.996 3.753 2.311
121 HG21 THR 15 HG21 THR 15 7.975 2.336 1.269
122 HG22 THR 15 HG22 THR 15 7.915 3.741 2.364
123 HG23 THR 15 HG23 THR 15 9.061 3.699 1.004
124 H VAL 16 H VAL 16 6.553 2.014 4.313
125 HA VAL 16 HA VAL 16 5.734 -0.721 3.489
126 HB VAL 16 HB VAL 16 4.387 1.552 4.990
127 HG11 VAL 16 HG11 VAL 16 2.462 0.067 5.392
128 HG12 VAL 16 HG12 VAL 16 2.577 0.520 3.697
129 HG13 VAL 16 HG13 VAL 16 3.102 -1.101 4.215
130 HG21 VAL 16 HG21 VAL 16 5.987 0.145 6.268
131 HG22 VAL 16 HG22 VAL 16 4.322 -0.092 6.826
132 HG23 VAL 16 HG23 VAL 16 5.082 -1.310 5.787
133 H TYR 17 H TYR 17 4.252 -1.143 1.922
134 HA TYR 17 HA TYR 17 3.002 0.967 0.305
135 HB2 TYR 17 HB2 TYR 17 3.909 0.212 -1.797
136 HB3 TYR 17 HB3 TYR 17 5.214 0.693 -0.753
137 HD1 TYR 17 HD1 TYR 17 6.634 -1.121 0.400
138 HD2 TYR 17 HD2 TYR 17 3.871 -1.954 -2.810
139 HE1 TYR 17 HE1 TYR 17 7.935 -3.151 -0.205
140 HE2 TYR 17 HE2 TYR 17 5.153 -4.008 -3.378
141 HH TYR 17 HH TYR 17 8.193 -4.849 -1.693
142 H TYR 18 H TYR 18 1.768 -0.299 -1.573
143 HA TYR 18 HA TYR 18 0.400 -2.666 -0.381
144 HB2 TYR 18 HB2 TYR 18 -0.741 -0.463 -2.114
145 HB3 TYR 18 HB3 TYR 18 -1.589 -1.945 -1.653
146 HD1 TYR 18 HD1 TYR 18 -2.451 -2.285 0.622
147 HD2 TYR 18 HD2 TYR 18 -0.217 1.262 -0.416
148 HE1 TYR 18 HE1 TYR 18 -3.182 -1.190 2.740
149 HE2 TYR 18 HE2 TYR 18 -0.895 2.320 1.732
150 HH TYR 18 HH TYR 18 -2.069 2.067 3.676
151 H PHE 19 H PHE 19 0.053 -4.462 -1.589
152 HA PHE 19 HA PHE 19 1.075 -4.535 -4.392
153 HB2 PHE 19 HB2 PHE 19 2.964 -5.041 -2.990
154 HB3 PHE 19 HB3 PHE 19 2.028 -6.246 -2.094
155 HD1 PHE 19 HD1 PHE 19 3.259 -5.364 -5.482
156 HD2 PHE 19 HD2 PHE 19 1.924 -8.556 -2.902
157 HE1 PHE 19 HE1 PHE 19 3.858 -6.994 -7.213
158 HE2 PHE 19 HE2 PHE 19 2.605 -10.211 -4.618
159 HZ PHE 19 HZ PHE 19 3.568 -9.451 -6.783
160 H ASN 20 H ASN 20 0.037 -5.837 -5.771
161 HA ASN 20 HA ASN 20 -2.248 -7.412 -4.719
162 HB2 ASN 20 HB2 ASN 20 -2.544 -5.629 -6.484
163 HB3 ASN 20 HB3 ASN 20 -1.656 -6.680 -7.599
164 HD21 ASN 20 HD21 ASN 20 -4.697 -5.805 -6.814
165 HD22 ASN 20 HD22 ASN 20 -5.553 -7.312 -7.080
166 H HIS 21 H HIS 21 -1.902 -9.524 -4.359
167 HA HIS 21 HA HIS 21 0.433 -10.880 -5.430
168 HB2 HIS 21 HB2 HIS 21 0.006 -12.506 -3.911
169 HB3 HIS 21 HB3 HIS 21 -0.812 -11.156 -3.130
170 HD2 HIS 21 HD2 HIS 21 -3.449 -11.382 -2.766
171 HE1 HIS 21 HE1 HIS 21 -3.948 -15.282 -4.410
172 HE2 HIS 21 HE2 HIS 21 -5.073 -13.432 -3.071
173 H ILE 22 H ILE 22 -2.835 -10.593 -6.579
174 HA ILE 22 HA ILE 22 -2.825 -13.033 -8.206
175 HB ILE 22 HB ILE 22 -4.750 -10.660 -8.134
176 HG12 ILE 22 HG12 ILE 22 -4.799 -13.322 -6.625
177 HG13 ILE 22 HG13 ILE 22 -4.623 -11.709 -5.926
178 HG21 ILE 22 HG21 ILE 22 -6.348 -12.187 -9.222
179 HG22 ILE 22 HG22 ILE 22 -4.922 -11.992 -10.216
180 HG23 ILE 22 HG23 ILE 22 -5.118 -13.474 -9.251
181 HD11 ILE 22 HD11 ILE 22 -7.123 -12.875 -7.185
182 HD12 ILE 22 HD12 ILE 22 -6.848 -12.399 -5.504
183 HD13 ILE 22 HD13 ILE 22 -6.938 -11.152 -6.767
184 H THR 23 H THR 23 -2.467 -9.539 -8.690
185 HA THR 23 HA THR 23 -1.999 -9.914 -11.597
186 HB THR 23 HB THR 23 -2.812 -7.768 -11.976
187 HG1 THR 23 HG1 THR 23 -3.465 -6.654 -9.871
188 HG21 THR 23 HG21 THR 23 -4.539 -8.697 -9.642
189 HG22 THR 23 HG22 THR 23 -5.011 -7.686 -11.020
190 HG23 THR 23 HG23 THR 23 -4.616 -9.394 -11.276
191 H ASN 24 H ASN 24 -0.121 -9.295 -8.904
192 HA ASN 24 HA ASN 24 1.908 -8.532 -8.478
193 HB2 ASN 24 HB2 ASN 24 2.481 -8.833 -11.444
194 HB3 ASN 24 HB3 ASN 24 3.684 -8.628 -10.163
195 HD21 ASN 24 HD21 ASN 24 2.530 -12.329 -10.972
196 HD22 ASN 24 HD22 ASN 24 2.244 -10.955 -12.045
197 H ALA 25 H ALA 25 -0.301 -6.563 -9.520
198 HA ALA 25 HA ALA 25 1.177 -4.165 -10.183
199 HB1 ALA 25 HB1 ALA 25 -1.221 -4.483 -10.696
200 HB2 ALA 25 HB2 ALA 25 -1.589 -4.525 -8.957
201 HB3 ALA 25 HB3 ALA 25 -0.952 -3.042 -9.699
202 H SER 26 H SER 26 1.543 -2.314 -8.820
203 HA SER 26 HA SER 26 1.522 -2.723 -5.891
204 HB2 SER 26 HB2 SER 26 3.814 -1.955 -5.631
205 HB3 SER 26 HB3 SER 26 3.729 -3.465 -6.543
206 HG SER 26 HG SER 26 5.161 -1.992 -7.513
207 H GLN 27 H GLN 27 1.509 -0.825 -4.649
208 HA GLN 27 HA GLN 27 1.463 1.821 -5.985
209 HB2 GLN 27 HB2 GLN 27 -0.881 0.638 -4.434
210 HB3 GLN 27 HB3 GLN 27 -0.617 2.376 -4.638
211 HG2 GLN 27 HG2 GLN 27 -0.705 2.145 -7.072
212 HG3 GLN 27 HG3 GLN 27 -1.070 0.416 -6.899
213 HE21 GLN 27 HE21 GLN 27 -2.625 2.417 -4.433
214 HE22 GLN 27 HE22 GLN 27 -4.161 2.534 -5.295
215 H PHE 28 H PHE 28 2.145 3.483 -4.752
216 HA PHE 28 HA PHE 28 2.968 2.979 -1.983
217 HB2 PHE 28 HB2 PHE 28 3.390 5.289 -3.851
218 HB3 PHE 28 HB3 PHE 28 3.695 5.427 -2.117
219 HD1 PHE 28 HD1 PHE 28 5.427 4.072 -0.977
220 HD2 PHE 28 HD2 PHE 28 4.919 3.982 -5.261
221 HE1 PHE 28 HE1 PHE 28 7.696 3.094 -1.228
222 HE2 PHE 28 HE2 PHE 28 7.185 2.991 -5.506
223 HZ PHE 28 HZ PHE 28 8.578 2.551 -3.493
224 H GLU 29 H GLU 29 0.138 4.085 -3.430
225 HA GLU 29 HA GLU 29 -0.883 5.243 -0.874
226 HB2 GLU 29 HB2 GLU 29 -0.859 6.809 -2.784
227 HB3 GLU 29 HB3 GLU 29 -1.823 5.680 -3.732
228 HG2 GLU 29 HG2 GLU 29 -3.200 7.495 -2.879
229 HG3 GLU 29 HG3 GLU 29 -3.728 5.964 -2.200
230 H ARG 30 H ARG 30 -2.917 4.605 -0.127
231 HA ARG 30 HA ARG 30 -3.373 1.799 -0.230
232 HB2 ARG 30 HB2 ARG 30 -3.687 3.093 1.743
233 HB3 ARG 30 HB3 ARG 30 -4.926 4.092 1.008
234 HG2 ARG 30 HG2 ARG 30 -5.388 1.112 1.106
235 HG3 ARG 30 HG3 ARG 30 -5.470 2.010 2.629
236 HD2 ARG 30 HD2 ARG 30 -7.425 3.042 2.127
237 HD3 ARG 30 HD3 ARG 30 -6.975 3.326 0.452
238 HE ARG 30 HE ARG 30 -7.933 1.357 -0.229
239 HH11 ARG 30 HH11 ARG 30 -9.631 -1.066 1.417
240 HH12 ARG 30 HH12 ARG 30 -9.208 -0.332 -0.137
241 HH21 ARG 30 HH21 ARG 30 -8.905 -0.257 3.259
242 HH22 ARG 30 HH22 ARG 30 -7.895 1.176 3.295
243 HA PRO 31 HA PRO 31 -5.925 1.844 -3.908
244 HB2 PRO 31 HB2 PRO 31 -6.210 -0.825 -4.343
245 HB3 PRO 31 HB3 PRO 31 -4.626 -0.004 -4.491
246 HG2 PRO 31 HG2 PRO 31 -5.712 -1.531 -2.111
247 HG3 PRO 31 HG3 PRO 31 -4.105 -1.698 -2.889
248 HD2 PRO 31 HD2 PRO 31 -4.477 -0.166 -0.665
249 HD3 PRO 31 HD3 PRO 31 -3.320 0.294 -1.950
250 H SER 32 H SER 32 -8.067 1.829 -4.466
251 HA SER 32 HA SER 32 -10.073 0.638 -2.592
252 HB2 SER 32 HB2 SER 32 -9.956 3.525 -3.515
253 HB3 SER 32 HB3 SER 32 -11.338 2.786 -2.682
254 HG SER 32 HG SER 32 -9.912 3.854 -1.246
255 H GLY 33 H GLY 33 -9.150 0.253 -5.579
256 HA2 GLY 33 HA2 GLY 33 -11.565 -0.834 -6.580
257 HA3 GLY 33 HA3 GLY 33 -11.393 0.775 -7.281
258 H1 GAL 101 H1 GAL 34 11.814 1.607 0.500
259 H2 GAL 101 H2 GAL 34 13.415 4.025 -0.499
260 H3 GAL 101 H3 GAL 34 10.566 3.164 -1.206
261 H4 GAL 101 H4 GAL 34 11.403 2.692 -3.465
262 H5 GAL 101 H5 GAL 34 11.433 0.850 -1.853
263 H61 GAL 101 H61 GAL 34 13.034 -0.682 -2.842
264 H62 GAL 101 H62 GAL 34 12.347 0.348 -4.114
265 HO2 GAL 101 H2O GAL 34 11.645 5.152 0.471
266 HO3 GAL 101 H3O GAL 34 10.630 4.971 -2.566
267 HO4 GAL 101 H4O GAL 34 13.178 4.268 -3.238
268 HO6 GAL 101 H6O GAL 34 14.277 1.752 -3.507
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -10.986 -4.393 5.801
2 H2 LYS 1 H2 LYS 1 -11.243 -4.628 4.202
3 H3 LYS 1 H3 LYS 1 -11.035 -3.111 4.788
4 HA LYS 1 HA LYS 1 -8.786 -3.562 5.419
5 HB2 LYS 1 HB2 LYS 1 -9.019 -5.904 5.949
6 HB3 LYS 1 HB3 LYS 1 -9.322 -6.318 4.264
7 HG2 LYS 1 HG2 LYS 1 -7.006 -5.681 3.671
8 HG3 LYS 1 HG3 LYS 1 -6.699 -5.179 5.342
9 HD2 LYS 1 HD2 LYS 1 -6.869 -7.457 6.127
10 HD3 LYS 1 HD3 LYS 1 -7.615 -7.991 4.617
11 HE2 LYS 1 HE2 LYS 1 -5.349 -8.777 4.630
12 HE3 LYS 1 HE3 LYS 1 -5.530 -7.550 3.378
13 HZ1 LYS 1 HZ1 LYS 1 -3.508 -7.204 4.585
14 HZ2 LYS 1 HZ2 LYS 1 -4.499 -5.951 4.939
15 HZ3 LYS 1 HZ3 LYS 1 -4.273 -7.149 6.036
16 H LEU 2 H LEU 2 -9.022 -5.341 2.362
17 HA LEU 2 HA LEU 2 -8.253 -2.931 0.816
18 HB2 LEU 2 HB2 LEU 2 -6.721 -5.542 1.137
19 HB3 LEU 2 HB3 LEU 2 -6.406 -4.394 -0.166
20 HG LEU 2 HG LEU 2 -6.132 -3.633 2.761
21 HD11 LEU 2 HD11 LEU 2 -3.723 -3.887 2.434
22 HD12 LEU 2 HD12 LEU 2 -4.551 -5.436 2.184
23 HD13 LEU 2 HD13 LEU 2 -3.989 -4.494 0.785
24 HD21 LEU 2 HD21 LEU 2 -5.049 -2.369 0.212
25 HD22 LEU 2 HD22 LEU 2 -6.445 -1.759 1.135
26 HD23 LEU 2 HD23 LEU 2 -4.842 -1.765 1.870
27 HA PRO 3 HA PRO 3 -10.716 -4.754 -2.375
28 HB2 PRO 3 HB2 PRO 3 -8.814 -4.001 -4.522
29 HB3 PRO 3 HB3 PRO 3 -10.471 -3.409 -4.218
30 HG2 PRO 3 HG2 PRO 3 -8.242 -1.869 -3.761
31 HG3 PRO 3 HG3 PRO 3 -9.724 -1.746 -2.753
32 HD2 PRO 3 HD2 PRO 3 -7.182 -3.287 -2.196
33 HD3 PRO 3 HD3 PRO 3 -8.098 -2.196 -1.117
34 HA PRO 4 HA PRO 4 -9.633 -8.799 -3.490
35 HB2 PRO 4 HB2 PRO 4 -10.020 -8.225 -6.437
36 HB3 PRO 4 HB3 PRO 4 -10.622 -9.610 -5.465
37 HG2 PRO 4 HG2 PRO 4 -12.275 -7.548 -6.012
38 HG3 PRO 4 HG3 PRO 4 -12.220 -8.210 -4.343
39 HD2 PRO 4 HD2 PRO 4 -10.850 -5.738 -5.435
40 HD3 PRO 4 HD3 PRO 4 -11.752 -5.951 -3.901
41 H GLY 5 H GLY 5 -7.733 -9.718 -3.340
42 HA2 GLY 5 HA2 GLY 5 -5.685 -10.590 -3.983
43 HA3 GLY 5 HA3 GLY 5 -5.672 -9.530 -5.407
44 H TRP 6 H TRP 6 -6.158 -7.238 -3.190
45 HA TRP 6 HA TRP 6 -3.340 -6.523 -3.094
46 HB2 TRP 6 HB2 TRP 6 -5.830 -5.180 -2.092
47 HB3 TRP 6 HB3 TRP 6 -4.210 -4.513 -1.859
48 HD1 TRP 6 HD1 TRP 6 -6.885 -5.024 -4.471
49 HE1 TRP 6 HE1 TRP 6 -6.374 -3.603 -6.554
50 HE3 TRP 6 HE3 TRP 6 -2.072 -3.731 -3.367
51 HZ2 TRP 6 HZ2 TRP 6 -4.014 -2.522 -7.793
52 HZ3 TRP 6 HZ3 TRP 6 -0.675 -2.545 -5.063
53 HH2 TRP 6 HH2 TRP 6 -1.627 -1.942 -7.271
54 H GLU 7 H GLU 7 -1.934 -6.407 -1.454
55 HA GLU 7 HA GLU 7 -2.770 -6.745 1.344
56 HB2 GLU 7 HB2 GLU 7 -2.428 -9.031 0.695
57 HB3 GLU 7 HB3 GLU 7 -0.942 -8.639 -0.146
58 HG2 GLU 7 HG2 GLU 7 -0.511 -9.887 1.871
59 HG3 GLU 7 HG3 GLU 7 0.261 -8.318 1.902
60 H LYS 8 H LYS 8 -1.267 -5.980 2.870
61 HA LYS 8 HA LYS 8 0.520 -3.849 1.939
62 HB2 LYS 8 HB2 LYS 8 -0.294 -4.880 4.663
63 HB3 LYS 8 HB3 LYS 8 1.118 -3.826 4.486
64 HG2 LYS 8 HG2 LYS 8 -0.212 -2.103 3.377
65 HG3 LYS 8 HG3 LYS 8 -1.646 -3.150 3.436
66 HD2 LYS 8 HD2 LYS 8 -1.827 -1.518 5.200
67 HD3 LYS 8 HD3 LYS 8 -1.528 -3.095 5.947
68 HE2 LYS 8 HE2 LYS 8 0.894 -2.501 6.179
69 HE3 LYS 8 HE3 LYS 8 0.574 -0.937 5.419
70 HZ1 LYS 8 HZ1 LYS 8 -0.902 -0.408 7.284
71 HZ2 LYS 8 HZ2 LYS 8 -0.615 -1.858 7.981
72 HZ3 LYS 8 HZ3 LYS 8 0.590 -0.768 7.842
73 H ARG 9 H ARG 9 2.588 -3.705 1.901
74 HA ARG 9 HA ARG 9 4.395 -5.986 2.628
75 HB2 ARG 9 HB2 ARG 9 4.648 -4.275 0.144
76 HB3 ARG 9 HB3 ARG 9 5.627 -5.676 0.564
77 HG2 ARG 9 HG2 ARG 9 2.766 -5.597 -0.436
78 HG3 ARG 9 HG3 ARG 9 4.208 -6.208 -1.257
79 HD2 ARG 9 HD2 ARG 9 2.631 -7.503 0.966
80 HD3 ARG 9 HD3 ARG 9 2.958 -8.096 -0.654
81 HE ARG 9 HE ARG 9 5.272 -8.519 -0.038
82 HH11 ARG 9 HH11 ARG 9 3.158 -8.015 2.754
83 HH12 ARG 9 HH12 ARG 9 4.153 -9.044 3.755
84 HH21 ARG 9 HH21 ARG 9 6.501 -9.705 1.347
85 HH22 ARG 9 HH22 ARG 9 5.993 -9.930 2.998
86 H MET 10 H MET 10 6.737 -5.215 2.561
87 HA MET 10 HA MET 10 7.159 -2.376 3.097
88 HB2 MET 10 HB2 MET 10 6.321 -3.268 5.280
89 HB3 MET 10 HB3 MET 10 7.669 -4.410 5.298
90 HG2 MET 10 HG2 MET 10 9.225 -2.391 5.192
91 HG3 MET 10 HG3 MET 10 7.810 -1.374 5.442
92 HE1 MET 10 HE1 MET 10 6.058 -2.858 7.592
93 HE2 MET 10 HE2 MET 10 6.762 -2.295 9.120
94 HE3 MET 10 HE3 MET 10 6.535 -1.152 7.783
95 H PHE 11 H PHE 11 9.102 -1.741 2.526
96 HA PHE 11 HA PHE 11 11.110 -3.530 1.443
97 HB2 PHE 11 HB2 PHE 11 10.985 -0.541 1.854
98 HB3 PHE 11 HB3 PHE 11 12.365 -1.359 1.120
99 HD1 PHE 11 HD1 PHE 11 11.957 -2.818 -0.987
100 HD2 PHE 11 HD2 PHE 11 9.156 0.117 0.476
101 HE1 PHE 11 HE1 PHE 11 10.932 -2.659 -3.243
102 HE2 PHE 11 HE2 PHE 11 8.158 0.296 -1.772
103 HZ PHE 11 HZ PHE 11 9.039 -1.092 -3.647
104 H ALA 12 H ALA 12 13.414 -3.489 1.994
105 HA ALA 12 HA ALA 12 13.913 -4.178 4.696
106 HB1 ALA 12 HB1 ALA 12 15.185 -5.007 2.751
107 HB2 ALA 12 HB2 ALA 12 15.856 -3.379 2.481
108 HB3 ALA 12 HB3 ALA 12 16.265 -4.282 3.957
109 H ASN 13 H ASN 13 13.988 -1.010 3.224
110 HA ASN 13 HA ASN 13 15.505 0.270 5.393
111 HB2 ASN 13 HB2 ASN 13 15.092 2.339 4.127
112 HB3 ASN 13 HB3 ASN 13 15.763 1.058 3.104
113 HD21 ASN 13 HD21 ASN 13 14.939 2.496 1.376
114 H GLY 14 H GLY 14 12.368 -0.892 5.316
115 HA2 GLY 14 HA2 GLY 14 10.767 -0.651 6.991
116 HA3 GLY 14 HA3 GLY 14 11.515 0.860 7.537
117 H THR 15 H THR 15 10.780 0.595 4.112
118 HA THR 15 HA THR 15 8.643 2.646 4.361
119 HB THR 15 HB THR 15 10.065 1.471 1.946
120 HG1 THR 15 HG1 THR 15 11.424 2.612 3.154
121 HG21 THR 15 HG21 THR 15 8.164 3.822 2.153
122 HG22 THR 15 HG22 THR 15 9.214 3.482 0.755
123 HG23 THR 15 HG23 THR 15 7.952 2.327 1.200
124 H VAL 16 H VAL 16 6.510 2.187 4.094
125 HA VAL 16 HA VAL 16 5.686 -0.609 3.494
126 HB VAL 16 HB VAL 16 4.247 1.795 4.673
127 HG11 VAL 16 HG11 VAL 16 2.350 0.290 5.164
128 HG12 VAL 16 HG12 VAL 16 2.540 0.543 3.433
129 HG13 VAL 16 HG13 VAL 16 3.094 -0.982 4.168
130 HG21 VAL 16 HG21 VAL 16 5.826 0.626 6.186
131 HG22 VAL 16 HG22 VAL 16 4.149 0.380 6.695
132 HG23 VAL 16 HG23 VAL 16 5.008 -0.917 5.839
133 H TYR 17 H TYR 17 4.315 -1.176 1.869
134 HA TYR 17 HA TYR 17 3.078 0.797 0.084
135 HB2 TYR 17 HB2 TYR 17 4.100 0.017 -1.942
136 HB3 TYR 17 HB3 TYR 17 5.374 0.519 -0.864
137 HD1 TYR 17 HD1 TYR 17 6.725 -1.268 0.394
138 HD2 TYR 17 HD2 TYR 17 4.101 -2.168 -2.925
139 HE1 TYR 17 HE1 TYR 17 7.963 -3.392 -0.024
140 HE2 TYR 17 HE2 TYR 17 5.313 -4.297 -3.306
141 HH TYR 17 HH TYR 17 7.084 -5.602 -2.692
142 H TYR 18 H TYR 18 1.964 -0.610 -1.758
143 HA TYR 18 HA TYR 18 0.614 -2.964 -0.501
144 HB2 TYR 18 HB2 TYR 18 -0.563 -0.823 -2.311
145 HB3 TYR 18 HB3 TYR 18 -1.415 -2.225 -1.650
146 HD1 TYR 18 HD1 TYR 18 -0.000 1.106 -0.875
147 HD2 TYR 18 HD2 TYR 18 -2.129 -2.306 0.692
148 HE1 TYR 18 HE1 TYR 18 -0.568 2.402 1.172
149 HE2 TYR 18 HE2 TYR 18 -2.738 -0.989 2.714
150 HH TYR 18 HH TYR 18 -2.549 1.002 3.804
151 H PHE 19 H PHE 19 0.283 -4.747 -1.752
152 HA PHE 19 HA PHE 19 1.105 -4.717 -4.627
153 HB2 PHE 19 HB2 PHE 19 3.049 -5.396 -3.371
154 HB3 PHE 19 HB3 PHE 19 2.091 -6.605 -2.494
155 HD1 PHE 19 HD1 PHE 19 3.154 -5.601 -5.904
156 HD2 PHE 19 HD2 PHE 19 1.878 -8.852 -3.376
157 HE1 PHE 19 HE1 PHE 19 3.580 -7.169 -7.738
158 HE2 PHE 19 HE2 PHE 19 2.383 -10.454 -5.201
159 HZ PHE 19 HZ PHE 19 3.226 -9.633 -7.395
160 H ASN 20 H ASN 20 -0.081 -5.928 -5.985
161 HA ASN 20 HA ASN 20 -2.345 -7.474 -4.836
162 HB2 ASN 20 HB2 ASN 20 -2.723 -5.590 -6.475
163 HB3 ASN 20 HB3 ASN 20 -1.949 -6.596 -7.710
164 HD21 ASN 20 HD21 ASN 20 -4.902 -5.690 -6.663
165 HD22 ASN 20 HD22 ASN 20 -5.813 -7.160 -6.943
166 H HIS 21 H HIS 21 -2.026 -9.611 -4.610
167 HA HIS 21 HA HIS 21 0.178 -10.966 -5.927
168 HB2 HIS 21 HB2 HIS 21 -0.206 -12.684 -4.487
169 HB3 HIS 21 HB3 HIS 21 -0.880 -11.346 -3.561
170 HD2 HIS 21 HD2 HIS 21 -3.472 -11.495 -2.945
171 HE1 HIS 21 HE1 HIS 21 -4.312 -15.249 -4.780
172 HE2 HIS 21 HE2 HIS 21 -5.212 -13.453 -3.216
173 H ILE 22 H ILE 22 -3.140 -10.519 -6.826
174 HA ILE 22 HA ILE 22 -3.336 -12.878 -8.559
175 HB ILE 22 HB ILE 22 -5.182 -10.466 -8.225
176 HG12 ILE 22 HG12 ILE 22 -5.159 -13.177 -6.803
177 HG13 ILE 22 HG13 ILE 22 -4.894 -11.593 -6.072
178 HG21 ILE 22 HG21 ILE 22 -5.562 -11.722 -10.329
179 HG22 ILE 22 HG22 ILE 22 -5.716 -13.231 -9.398
180 HG23 ILE 22 HG23 ILE 22 -6.904 -11.917 -9.222
181 HD11 ILE 22 HD11 ILE 22 -7.260 -10.968 -6.686
182 HD12 ILE 22 HD12 ILE 22 -7.515 -12.672 -7.146
183 HD13 ILE 22 HD13 ILE 22 -7.084 -12.260 -5.480
184 H THR 23 H THR 23 -2.924 -9.373 -8.902
185 HA THR 23 HA THR 23 -2.673 -9.609 -11.851
186 HB THR 23 HB THR 23 -3.393 -7.401 -12.053
187 HG1 THR 23 HG1 THR 23 -3.857 -6.413 -9.822
188 HG21 THR 23 HG21 THR 23 -5.517 -7.275 -10.940
189 HG22 THR 23 HG22 THR 23 -5.227 -8.979 -11.335
190 HG23 THR 23 HG23 THR 23 -5.006 -8.401 -9.667
191 H ASN 24 H ASN 24 -0.590 -9.234 -9.267
192 HA ASN 24 HA ASN 24 1.500 -8.600 -8.942
193 HB2 ASN 24 HB2 ASN 24 1.857 -8.756 -11.951
194 HB3 ASN 24 HB3 ASN 24 3.153 -8.680 -10.751
195 HD21 ASN 24 HD21 ASN 24 1.430 -10.828 -12.628
196 HD22 ASN 24 HD22 ASN 24 1.735 -12.271 -11.657
197 H ALA 25 H ALA 25 -0.664 -6.467 -9.689
198 HA ALA 25 HA ALA 25 0.885 -4.119 -10.361
199 HB1 ALA 25 HB1 ALA 25 -1.132 -2.910 -9.654
200 HB2 ALA 25 HB2 ALA 25 -1.559 -4.284 -10.690
201 HB3 ALA 25 HB3 ALA 25 -1.792 -4.391 -8.929
202 H SER 26 H SER 26 1.538 -2.398 -8.992
203 HA SER 26 HA SER 26 1.613 -2.843 -6.067
204 HB2 SER 26 HB2 SER 26 3.976 -2.084 -5.955
205 HB3 SER 26 HB3 SER 26 3.761 -3.676 -6.666
206 HG SER 26 HG SER 26 4.130 -1.243 -8.111
207 H GLN 27 H GLN 27 1.632 -0.975 -4.818
208 HA GLN 27 HA GLN 27 1.848 1.677 -6.078
209 HB2 GLN 27 HB2 GLN 27 -0.743 0.389 -5.487
210 HB3 GLN 27 HB3 GLN 27 -0.552 1.883 -4.599
211 HG2 GLN 27 HG2 GLN 27 -0.212 1.641 -7.608
212 HG3 GLN 27 HG3 GLN 27 -1.677 2.163 -6.785
213 HE21 GLN 27 HE21 GLN 27 -0.813 3.943 -8.574
214 HE22 GLN 27 HE22 GLN 27 -0.001 5.292 -7.769
215 H PHE 28 H PHE 28 2.173 3.359 -4.683
216 HA PHE 28 HA PHE 28 2.892 2.699 -1.888
217 HB2 PHE 28 HB2 PHE 28 3.399 5.127 -3.605
218 HB3 PHE 28 HB3 PHE 28 3.668 5.103 -1.858
219 HD1 PHE 28 HD1 PHE 28 5.357 3.576 -0.823
220 HD2 PHE 28 HD2 PHE 28 4.970 4.013 -5.099
221 HE1 PHE 28 HE1 PHE 28 7.620 2.605 -1.134
222 HE2 PHE 28 HE2 PHE 28 7.231 3.028 -5.402
223 HZ PHE 28 HZ PHE 28 8.562 2.328 -3.420
224 H GLU 29 H GLU 29 0.392 4.325 -3.672
225 HA GLU 29 HA GLU 29 -0.925 5.445 -1.279
226 HB2 GLU 29 HB2 GLU 29 -0.943 6.649 -3.411
227 HB3 GLU 29 HB3 GLU 29 -1.761 5.291 -4.202
228 HG2 GLU 29 HG2 GLU 29 -3.741 5.610 -2.805
229 HG3 GLU 29 HG3 GLU 29 -2.913 6.846 -1.850
230 H ARG 30 H ARG 30 -2.814 4.642 -0.345
231 HA ARG 30 HA ARG 30 -3.199 1.831 -0.325
232 HB2 ARG 30 HB2 ARG 30 -3.594 3.156 1.580
233 HB3 ARG 30 HB3 ARG 30 -4.829 4.127 0.792
234 HG2 ARG 30 HG2 ARG 30 -5.240 1.138 1.026
235 HG3 ARG 30 HG3 ARG 30 -5.423 2.142 2.473
236 HD2 ARG 30 HD2 ARG 30 -7.353 3.117 1.781
237 HD3 ARG 30 HD3 ARG 30 -6.833 3.232 0.106
238 HE ARG 30 HE ARG 30 -7.840 1.260 -0.409
239 HH11 ARG 30 HH11 ARG 30 -7.451 1.108 3.087
240 HH12 ARG 30 HH12 ARG 30 -8.350 -0.398 3.150
241 HH21 ARG 30 HH21 ARG 30 -9.241 -0.375 -0.139
242 HH22 ARG 30 HH22 ARG 30 -9.444 -1.102 1.447
243 HA PRO 31 HA PRO 31 -5.360 1.530 -4.154
244 HB2 PRO 31 HB2 PRO 31 -5.868 -1.150 -4.282
245 HB3 PRO 31 HB3 PRO 31 -4.212 -0.467 -4.343
246 HG2 PRO 31 HG2 PRO 31 -5.690 -1.526 -1.908
247 HG3 PRO 31 HG3 PRO 31 -4.048 -1.980 -2.475
248 HD2 PRO 31 HD2 PRO 31 -4.379 -0.126 -0.557
249 HD3 PRO 31 HD3 PRO 31 -3.148 0.100 -1.834
250 H SER 32 H SER 32 -7.348 1.108 -5.207
251 HA SER 32 HA SER 32 -9.755 0.622 -3.530
252 HB2 SER 32 HB2 SER 32 -9.221 3.050 -3.472
253 HB3 SER 32 HB3 SER 32 -9.374 3.106 -5.235
254 HG SER 32 HG SER 32 -11.527 2.326 -4.952
255 H GLY 33 H GLY 33 -8.413 -0.909 -5.728
256 HA2 GLY 33 HA2 GLY 33 -10.793 -1.663 -7.228
257 HA3 GLY 33 HA3 GLY 33 -9.589 -0.850 -8.231
258 H1 GAL 101 H1 GAL 34 12.104 1.793 0.748
259 H2 GAL 101 H2 GAL 34 13.784 4.066 -0.440
260 H3 GAL 101 H3 GAL 34 10.895 3.191 -0.950
261 H4 GAL 101 H4 GAL 34 11.641 2.479 -3.162
262 H5 GAL 101 H5 GAL 34 11.842 0.748 -1.472
263 H61 GAL 101 H61 GAL 34 12.750 -0.051 -3.561
264 H62 GAL 101 H62 GAL 34 14.291 0.794 -3.291
265 HO2 GAL 101 H2O GAL 34 11.673 4.052 1.496
266 HO3 GAL 101 H3O GAL 34 11.468 5.492 -1.169
267 HO4 GAL 101 H4O GAL 34 13.335 4.128 -3.196
268 HO6 GAL 101 H6O GAL 34 14.352 -0.486 -1.261
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -11.080 -4.398 5.706
2 H2 LYS 1 H2 LYS 1 -11.379 -3.392 4.453
3 H3 LYS 1 H3 LYS 1 -10.958 -4.951 4.171
4 HA LYS 1 HA LYS 1 -9.252 -2.892 5.406
5 HB2 LYS 1 HB2 LYS 1 -8.825 -5.164 6.313
6 HB3 LYS 1 HB3 LYS 1 -8.530 -5.762 4.686
7 HG2 LYS 1 HG2 LYS 1 -6.659 -3.935 4.578
8 HG3 LYS 1 HG3 LYS 1 -6.874 -3.809 6.326
9 HD2 LYS 1 HD2 LYS 1 -6.386 -6.280 6.495
10 HD3 LYS 1 HD3 LYS 1 -6.109 -6.308 4.737
11 HE2 LYS 1 HE2 LYS 1 -4.321 -4.549 5.054
12 HE3 LYS 1 HE3 LYS 1 -4.562 -4.684 6.803
13 HZ1 LYS 1 HZ1 LYS 1 -2.753 -6.094 6.211
14 HZ2 LYS 1 HZ2 LYS 1 -3.991 -7.111 6.515
15 HZ3 LYS 1 HZ3 LYS 1 -3.531 -6.788 4.968
16 H LEU 2 H LEU 2 -8.449 -5.139 2.790
17 HA LEU 2 HA LEU 2 -8.035 -2.881 0.904
18 HB2 LEU 2 HB2 LEU 2 -6.360 -5.131 1.891
19 HB3 LEU 2 HB3 LEU 2 -6.416 -5.011 0.133
20 HG LEU 2 HG LEU 2 -5.610 -2.757 0.162
21 HD11 LEU 2 HD11 LEU 2 -4.757 -1.604 2.117
22 HD12 LEU 2 HD12 LEU 2 -6.492 -1.868 2.309
23 HD13 LEU 2 HD13 LEU 2 -5.327 -2.897 3.181
24 HD21 LEU 2 HD21 LEU 2 -4.011 -4.628 0.218
25 HD22 LEU 2 HD22 LEU 2 -3.340 -3.214 1.025
26 HD23 LEU 2 HD23 LEU 2 -3.974 -4.560 1.992
27 HA PRO 3 HA PRO 3 -10.734 -4.946 -1.937
28 HB2 PRO 3 HB2 PRO 3 -8.982 -4.326 -4.257
29 HB3 PRO 3 HB3 PRO 3 -10.634 -3.746 -3.899
30 HG2 PRO 3 HG2 PRO 3 -8.437 -2.127 -3.687
31 HG3 PRO 3 HG3 PRO 3 -9.836 -1.983 -2.568
32 HD2 PRO 3 HD2 PRO 3 -7.219 -3.443 -2.142
33 HD3 PRO 3 HD3 PRO 3 -8.066 -2.301 -1.058
34 HA PRO 4 HA PRO 4 -9.631 -9.055 -2.992
35 HB2 PRO 4 HB2 PRO 4 -10.384 -8.582 -5.883
36 HB3 PRO 4 HB3 PRO 4 -10.828 -9.949 -4.808
37 HG2 PRO 4 HG2 PRO 4 -12.598 -7.953 -5.232
38 HG3 PRO 4 HG3 PRO 4 -12.340 -8.561 -3.560
39 HD2 PRO 4 HD2 PRO 4 -11.168 -6.090 -4.867
40 HD3 PRO 4 HD3 PRO 4 -11.902 -6.273 -3.242
41 H GLY 5 H GLY 5 -7.750 -10.046 -3.221
42 HA2 GLY 5 HA2 GLY 5 -5.714 -10.742 -4.016
43 HA3 GLY 5 HA3 GLY 5 -5.936 -9.749 -5.466
44 H TRP 6 H TRP 6 -6.284 -7.436 -3.177
45 HA TRP 6 HA TRP 6 -3.441 -6.668 -3.209
46 HB2 TRP 6 HB2 TRP 6 -5.912 -5.276 -2.182
47 HB3 TRP 6 HB3 TRP 6 -4.271 -4.648 -2.016
48 HD1 TRP 6 HD1 TRP 6 -6.971 -5.176 -4.626
49 HE1 TRP 6 HE1 TRP 6 -6.450 -3.758 -6.704
50 HE3 TRP 6 HE3 TRP 6 -2.195 -3.787 -3.436
51 HZ2 TRP 6 HZ2 TRP 6 -4.106 -2.521 -7.862
52 HZ3 TRP 6 HZ3 TRP 6 -0.807 -2.540 -5.084
53 HH2 TRP 6 HH2 TRP 6 -1.747 -1.904 -7.292
54 H GLU 7 H GLU 7 -2.073 -6.460 -1.506
55 HA GLU 7 HA GLU 7 -3.040 -6.663 1.240
56 HB2 GLU 7 HB2 GLU 7 -2.663 -9.001 0.742
57 HB3 GLU 7 HB3 GLU 7 -1.094 -8.654 0.049
58 HG2 GLU 7 HG2 GLU 7 -0.952 -9.784 2.202
59 HG3 GLU 7 HG3 GLU 7 -0.105 -8.255 2.167
60 H LYS 8 H LYS 8 -1.578 -5.801 2.794
61 HA LYS 8 HA LYS 8 0.215 -3.710 1.829
62 HB2 LYS 8 HB2 LYS 8 -0.536 -4.730 4.571
63 HB3 LYS 8 HB3 LYS 8 0.884 -3.693 4.364
64 HG2 LYS 8 HG2 LYS 8 -0.469 -1.976 3.233
65 HG3 LYS 8 HG3 LYS 8 -1.911 -2.997 3.397
66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.314 5.115
67 HD3 LYS 8 HD3 LYS 8 -1.649 -2.865 5.901
68 HE2 LYS 8 HE2 LYS 8 0.781 -2.280 6.001
69 HE3 LYS 8 HE3 LYS 8 0.447 -0.758 5.172
70 HZ1 LYS 8 HZ1 LYS 8 -0.641 -1.519 7.830
71 HZ2 LYS 8 HZ2 LYS 8 0.571 -0.456 7.577
72 HZ3 LYS 8 HZ3 LYS 8 -0.938 -0.104 7.065
73 H ARG 9 H ARG 9 2.356 -3.495 1.941
74 HA ARG 9 HA ARG 9 4.120 -5.860 2.399
75 HB2 ARG 9 HB2 ARG 9 3.132 -5.285 -0.138
76 HB3 ARG 9 HB3 ARG 9 4.542 -4.256 -0.095
77 HG2 ARG 9 HG2 ARG 9 5.414 -6.176 -1.018
78 HG3 ARG 9 HG3 ARG 9 5.794 -6.476 0.688
79 HD2 ARG 9 HD2 ARG 9 3.506 -7.617 -0.977
80 HD3 ARG 9 HD3 ARG 9 4.926 -8.485 -0.373
81 HE ARG 9 HE ARG 9 2.779 -7.318 1.391
82 HH11 ARG 9 HH11 ARG 9 2.134 -8.363 3.093
83 HH12 ARG 9 HH12 ARG 9 2.696 -9.989 3.447
84 HH21 ARG 9 HH21 ARG 9 4.816 -10.113 0.731
85 HH22 ARG 9 HH22 ARG 9 4.199 -10.952 2.132
86 H MET 10 H MET 10 6.479 -5.206 2.258
87 HA MET 10 HA MET 10 7.029 -2.375 2.816
88 HB2 MET 10 HB2 MET 10 6.142 -3.364 4.979
89 HB3 MET 10 HB3 MET 10 7.529 -4.458 4.976
90 HG2 MET 10 HG2 MET 10 9.030 -2.409 4.969
91 HG3 MET 10 HG3 MET 10 7.576 -1.419 5.074
92 HE1 MET 10 HE1 MET 10 9.405 -4.025 8.421
93 HE2 MET 10 HE2 MET 10 8.791 -4.772 6.932
94 HE3 MET 10 HE3 MET 10 10.158 -3.637 6.859
95 H PHE 11 H PHE 11 9.032 -1.785 2.412
96 HA PHE 11 HA PHE 11 10.963 -3.612 1.233
97 HB2 PHE 11 HB2 PHE 11 10.908 -0.646 1.764
98 HB3 PHE 11 HB3 PHE 11 12.296 -1.460 1.023
99 HD1 PHE 11 HD1 PHE 11 9.233 0.219 0.394
100 HD2 PHE 11 HD2 PHE 11 11.787 -2.904 -1.136
101 HE1 PHE 11 HE1 PHE 11 8.224 0.497 -1.841
102 HE2 PHE 11 HE2 PHE 11 10.766 -2.625 -3.386
103 HZ PHE 11 HZ PHE 11 8.989 -0.919 -3.747
104 H ALA 12 H ALA 12 13.264 -3.671 1.809
105 HA ALA 12 HA ALA 12 13.704 -4.476 4.499
106 HB1 ALA 12 HB1 ALA 12 14.953 -5.311 2.540
107 HB2 ALA 12 HB2 ALA 12 15.696 -3.707 2.318
108 HB3 ALA 12 HB3 ALA 12 16.054 -4.665 3.771
109 H ASN 13 H ASN 13 13.922 -1.289 3.102
110 HA ASN 13 HA ASN 13 15.473 -0.085 5.280
111 HB2 ASN 13 HB2 ASN 13 14.991 2.032 4.080
112 HB3 ASN 13 HB3 ASN 13 15.695 0.790 3.034
113 HD21 ASN 13 HD21 ASN 13 14.848 2.215 1.330
114 H GLY 14 H GLY 14 12.286 -1.175 5.179
115 HA2 GLY 14 HA2 GLY 14 10.722 -0.999 6.894
116 HA3 GLY 14 HA3 GLY 14 11.524 0.447 7.529
117 H THR 15 H THR 15 10.828 0.579 4.109
118 HA THR 15 HA THR 15 8.657 2.564 4.568
119 HB THR 15 HB THR 15 10.291 1.708 2.148
120 HG1 THR 15 HG1 THR 15 11.131 3.727 2.364
121 HG21 THR 15 HG21 THR 15 8.138 2.317 1.221
122 HG22 THR 15 HG22 THR 15 8.058 3.769 2.251
123 HG23 THR 15 HG23 THR 15 9.267 3.643 0.952
124 H VAL 16 H VAL 16 6.561 2.127 4.210
125 HA VAL 16 HA VAL 16 5.739 -0.623 3.439
126 HB VAL 16 HB VAL 16 4.363 1.716 4.808
127 HG11 VAL 16 HG11 VAL 16 2.595 0.676 3.465
128 HG12 VAL 16 HG12 VAL 16 3.068 -0.938 4.053
129 HG13 VAL 16 HG13 VAL 16 2.394 0.274 5.166
130 HG21 VAL 16 HG21 VAL 16 4.971 -1.132 5.719
131 HG22 VAL 16 HG22 VAL 16 5.883 0.320 6.195
132 HG23 VAL 16 HG23 VAL 16 4.192 0.132 6.688
133 H TYR 17 H TYR 17 4.324 -1.077 1.830
134 HA TYR 17 HA TYR 17 3.158 0.979 0.092
135 HB2 TYR 17 HB2 TYR 17 4.148 0.179 -1.942
136 HB3 TYR 17 HB3 TYR 17 5.424 0.647 -0.858
137 HD1 TYR 17 HD1 TYR 17 6.760 -1.175 0.365
138 HD2 TYR 17 HD2 TYR 17 4.085 -2.001 -2.926
139 HE1 TYR 17 HE1 TYR 17 8.037 -3.240 -0.163
140 HE2 TYR 17 HE2 TYR 17 5.356 -4.080 -3.428
141 HH TYR 17 HH TYR 17 8.313 -4.962 -1.622
142 H TYR 18 H TYR 18 1.996 -0.378 -1.784
143 HA TYR 18 HA TYR 18 0.482 -2.614 -0.473
144 HB2 TYR 18 HB2 TYR 18 -0.531 -0.487 -2.399
145 HB3 TYR 18 HB3 TYR 18 -1.483 -1.739 -1.584
146 HD1 TYR 18 HD1 TYR 18 0.193 1.533 -1.219
147 HD2 TYR 18 HD2 TYR 18 -1.954 -1.574 0.851
148 HE1 TYR 18 HE1 TYR 18 -0.095 3.040 0.736
149 HE2 TYR 18 HE2 TYR 18 -2.280 -0.057 2.795
150 HH TYR 18 HH TYR 18 -0.941 3.260 2.844
151 H PHE 19 H PHE 19 0.153 -4.434 -1.676
152 HA PHE 19 HA PHE 19 1.081 -4.494 -4.505
153 HB2 PHE 19 HB2 PHE 19 3.017 -5.013 -3.209
154 HB3 PHE 19 HB3 PHE 19 2.117 -6.190 -2.238
155 HD1 PHE 19 HD1 PHE 19 3.120 -5.396 -5.722
156 HD2 PHE 19 HD2 PHE 19 2.035 -8.515 -2.953
157 HE1 PHE 19 HE1 PHE 19 3.591 -7.060 -7.451
158 HE2 PHE 19 HE2 PHE 19 2.581 -10.219 -4.676
159 HZ PHE 19 HZ PHE 19 3.348 -9.512 -6.937
160 H ASN 20 H ASN 20 0.065 -5.820 -5.889
161 HA ASN 20 HA ASN 20 -2.203 -7.418 -4.807
162 HB2 ASN 20 HB2 ASN 20 -2.606 -5.562 -6.465
163 HB3 ASN 20 HB3 ASN 20 -1.728 -6.524 -7.664
164 HD21 ASN 20 HD21 ASN 20 -4.788 -5.769 -6.770
165 HD22 ASN 20 HD22 ASN 20 -5.579 -7.278 -7.200
166 H HIS 21 H HIS 21 -1.841 -9.538 -4.560
167 HA HIS 21 HA HIS 21 0.475 -10.803 -5.822
168 HB2 HIS 21 HB2 HIS 21 0.278 -12.436 -4.273
169 HB3 HIS 21 HB3 HIS 21 -0.493 -11.112 -3.402
170 HD2 HIS 21 HD2 HIS 21 -3.251 -11.303 -3.108
171 HE1 HIS 21 HE1 HIS 21 -3.478 -15.445 -4.079
172 HE2 HIS 21 HE2 HIS 21 -4.725 -13.479 -3.050
173 H ILE 22 H ILE 22 -2.813 -10.504 -6.731
174 HA ILE 22 HA ILE 22 -2.961 -12.945 -8.373
175 HB ILE 22 HB ILE 22 -4.811 -10.539 -8.110
176 HG12 ILE 22 HG12 ILE 22 -4.539 -11.764 -5.945
177 HG13 ILE 22 HG13 ILE 22 -6.173 -11.777 -6.582
178 HG21 ILE 22 HG21 ILE 22 -5.261 -13.221 -9.447
179 HG22 ILE 22 HG22 ILE 22 -6.555 -12.069 -9.037
180 HG23 ILE 22 HG23 ILE 22 -5.295 -11.607 -10.183
181 HD11 ILE 22 HD11 ILE 22 -5.888 -14.109 -7.352
182 HD12 ILE 22 HD12 ILE 22 -4.209 -14.098 -6.751
183 HD13 ILE 22 HD13 ILE 22 -5.572 -13.933 -5.624
184 H THR 23 H THR 23 -2.599 -9.443 -8.817
185 HA THR 23 HA THR 23 -2.259 -9.768 -11.749
186 HB THR 23 HB THR 23 -3.065 -7.604 -12.054
187 HG1 THR 23 HG1 THR 23 -3.627 -6.529 -9.898
188 HG21 THR 23 HG21 THR 23 -4.716 -8.583 -9.685
189 HG22 THR 23 HG22 THR 23 -5.225 -7.515 -11.008
190 HG23 THR 23 HG23 THR 23 -4.861 -9.217 -11.340
191 H ASN 24 H ASN 24 -0.275 -9.191 -9.115
192 HA ASN 24 HA ASN 24 1.773 -8.448 -8.757
193 HB2 ASN 24 HB2 ASN 24 2.225 -8.695 -11.746
194 HB3 ASN 24 HB3 ASN 24 3.481 -8.494 -10.518
195 HD21 ASN 24 HD21 ASN 24 1.982 -10.816 -12.358
196 HD22 ASN 24 HD22 ASN 24 2.323 -12.196 -11.310
197 H ALA 25 H ALA 25 -0.472 -6.445 -9.653
198 HA ALA 25 HA ALA 25 0.980 -4.037 -10.320
199 HB1 ALA 25 HB1 ALA 25 -1.106 -2.912 -9.675
200 HB2 ALA 25 HB2 ALA 25 -1.447 -4.322 -10.696
201 HB3 ALA 25 HB3 ALA 25 -1.712 -4.409 -8.939
202 H SER 26 H SER 26 1.461 -2.232 -8.937
203 HA SER 26 HA SER 26 1.511 -2.670 -6.025
204 HB2 SER 26 HB2 SER 26 3.842 -1.993 -5.777
205 HB3 SER 26 HB3 SER 26 3.682 -3.523 -6.638
206 HG SER 26 HG SER 26 4.096 -2.480 -8.562
207 H GLN 27 H GLN 27 1.598 -0.760 -4.783
208 HA GLN 27 HA GLN 27 1.699 1.883 -6.124
209 HB2 GLN 27 HB2 GLN 27 -0.714 0.844 -4.575
210 HB3 GLN 27 HB3 GLN 27 -0.378 2.561 -4.853
211 HG2 GLN 27 HG2 GLN 27 -0.530 2.305 -7.231
212 HG3 GLN 27 HG3 GLN 27 -0.827 0.558 -7.073
213 HE21 GLN 27 HE21 GLN 27 -2.456 2.512 -4.620
214 HE22 GLN 27 HE22 GLN 27 -4.005 2.541 -5.465
215 H PHE 28 H PHE 28 2.191 3.601 -4.809
216 HA PHE 28 HA PHE 28 3.027 3.029 -2.037
217 HB2 PHE 28 HB2 PHE 28 3.586 5.325 -3.885
218 HB3 PHE 28 HB3 PHE 28 3.866 5.433 -2.145
219 HD1 PHE 28 HD1 PHE 28 5.510 3.968 -0.987
220 HD2 PHE 28 HD2 PHE 28 5.091 3.993 -5.282
221 HE1 PHE 28 HE1 PHE 28 7.744 2.909 -1.215
222 HE2 PHE 28 HE2 PHE 28 7.322 2.921 -5.504
223 HZ PHE 28 HZ PHE 28 8.656 2.388 -3.472
224 H GLU 29 H GLU 29 0.286 4.228 -3.551
225 HA GLU 29 HA GLU 29 -0.828 5.337 -1.001
226 HB2 GLU 29 HB2 GLU 29 -0.742 6.972 -2.822
227 HB3 GLU 29 HB3 GLU 29 -1.613 5.859 -3.894
228 HG2 GLU 29 HG2 GLU 29 -3.607 5.992 -2.477
229 HG3 GLU 29 HG3 GLU 29 -2.736 6.964 -1.286
230 H ARG 30 H ARG 30 -2.928 4.505 -0.345
231 HA ARG 30 HA ARG 30 -3.012 1.731 -0.740
232 HB2 ARG 30 HB2 ARG 30 -4.846 1.583 0.693
233 HB3 ARG 30 HB3 ARG 30 -3.820 2.849 1.308
234 HG2 ARG 30 HG2 ARG 30 -5.380 4.485 1.025
235 HG3 ARG 30 HG3 ARG 30 -6.056 3.807 -0.462
236 HD2 ARG 30 HD2 ARG 30 -6.521 2.690 2.317
237 HD3 ARG 30 HD3 ARG 30 -7.646 3.730 1.432
238 HE ARG 30 HE ARG 30 -7.385 1.733 -0.377
239 HH11 ARG 30 HH11 ARG 30 -7.890 1.349 3.102
240 HH12 ARG 30 HH12 ARG 30 -8.667 -0.204 2.849
241 HH21 ARG 30 HH21 ARG 30 -8.499 -0.064 -0.558
242 HH22 ARG 30 HH22 ARG 30 -9.142 -0.891 0.867
243 HA PRO 31 HA PRO 31 -5.407 1.103 -4.379
244 HB2 PRO 31 HB2 PRO 31 -6.180 -1.492 -4.092
245 HB3 PRO 31 HB3 PRO 31 -4.467 -1.010 -4.348
246 HG2 PRO 31 HG2 PRO 31 -5.887 -1.595 -1.731
247 HG3 PRO 31 HG3 PRO 31 -4.323 -2.273 -2.298
248 HD2 PRO 31 HD2 PRO 31 -4.432 -0.163 -0.616
249 HD3 PRO 31 HD3 PRO 31 -3.215 -0.230 -1.932
250 H SER 32 H SER 32 -7.481 0.824 -5.242
251 HA SER 32 HA SER 32 -9.807 0.675 -3.364
252 HB2 SER 32 HB2 SER 32 -10.938 2.348 -4.745
253 HB3 SER 32 HB3 SER 32 -9.434 2.981 -4.054
254 HG SER 32 HG SER 32 -9.655 3.496 -6.277
255 H GLY 33 H GLY 33 -8.364 -0.751 -6.109
256 HA2 GLY 33 HA2 GLY 33 -10.096 -2.877 -6.403
257 HA3 GLY 33 HA3 GLY 33 -10.755 -1.664 -7.504
258 H1 GAL 101 H1 GAL 34 12.009 1.531 0.685
259 H2 GAL 101 H2 GAL 34 13.736 3.872 -0.279
260 H3 GAL 101 H3 GAL 34 10.912 3.104 -1.174
261 H4 GAL 101 H4 GAL 34 11.893 2.495 -3.346
262 H5 GAL 101 H5 GAL 34 11.730 0.717 -1.659
263 H61 GAL 101 H61 GAL 34 13.278 -0.910 -2.518
264 H62 GAL 101 H62 GAL 34 12.822 0.148 -3.871
265 HO2 GAL 101 H2O GAL 34 11.919 5.069 0.534
266 HO3 GAL 101 H3O GAL 34 12.689 4.900 -2.450
267 HO4 GAL 101 H4O GAL 34 14.372 2.325 -3.181
268 HO6 GAL 101 H6O GAL 34 15.181 0.304 -2.255
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -11.453 -1.961 4.017
2 H2 LYS 1 H2 LYS 1 -11.567 -3.078 5.204
3 H3 LYS 1 H3 LYS 1 -11.743 -3.530 3.641
4 HA LYS 1 HA LYS 1 -9.291 -2.465 4.868
5 HB2 LYS 1 HB2 LYS 1 -9.697 -4.662 5.728
6 HB3 LYS 1 HB3 LYS 1 -9.995 -5.321 4.122
7 HG2 LYS 1 HG2 LYS 1 -7.655 -5.051 3.509
8 HG3 LYS 1 HG3 LYS 1 -7.307 -4.191 5.022
9 HD2 LYS 1 HD2 LYS 1 -7.645 -6.218 6.309
10 HD3 LYS 1 HD3 LYS 1 -8.388 -7.038 4.930
11 HE2 LYS 1 HE2 LYS 1 -6.157 -7.905 5.192
12 HE3 LYS 1 HE3 LYS 1 -6.256 -6.986 3.693
13 HZ1 LYS 1 HZ1 LYS 1 -5.187 -5.117 4.894
14 HZ2 LYS 1 HZ2 LYS 1 -5.022 -6.060 6.226
15 HZ3 LYS 1 HZ3 LYS 1 -4.240 -6.447 4.836
16 H LEU 2 H LEU 2 -9.564 -4.634 2.058
17 HA LEU 2 HA LEU 2 -8.463 -2.532 0.281
18 HB2 LEU 2 HB2 LEU 2 -7.184 -5.216 0.941
19 HB3 LEU 2 HB3 LEU 2 -6.662 -4.171 -0.383
20 HG LEU 2 HG LEU 2 -6.537 -3.317 2.535
21 HD11 LEU 2 HD11 LEU 2 -4.370 -4.425 0.722
22 HD12 LEU 2 HD12 LEU 2 -4.136 -3.793 2.368
23 HD13 LEU 2 HD13 LEU 2 -5.090 -5.269 2.110
24 HD21 LEU 2 HD21 LEU 2 -5.059 -1.586 1.750
25 HD22 LEU 2 HD22 LEU 2 -5.095 -2.233 0.099
26 HD23 LEU 2 HD23 LEU 2 -6.544 -1.479 0.803
27 HA PRO 3 HA PRO 3 -10.837 -4.693 -2.828
28 HB2 PRO 3 HB2 PRO 3 -8.817 -4.175 -4.919
29 HB3 PRO 3 HB3 PRO 3 -10.460 -3.496 -4.743
30 HG2 PRO 3 HG2 PRO 3 -8.196 -1.997 -4.339
31 HG3 PRO 3 HG3 PRO 3 -9.719 -1.724 -3.426
32 HD2 PRO 3 HD2 PRO 3 -7.282 -3.312 -2.592
33 HD3 PRO 3 HD3 PRO 3 -8.171 -2.058 -1.679
34 HA PRO 4 HA PRO 4 -9.498 -8.818 -3.298
35 HB2 PRO 4 HB2 PRO 4 -9.948 -9.615 -5.918
36 HB3 PRO 4 HB3 PRO 4 -11.201 -9.424 -4.652
37 HG2 PRO 4 HG2 PRO 4 -10.373 -7.427 -6.776
38 HG3 PRO 4 HG3 PRO 4 -12.030 -7.925 -6.293
39 HD2 PRO 4 HD2 PRO 4 -10.945 -5.650 -5.361
40 HD3 PRO 4 HD3 PRO 4 -11.903 -6.694 -4.264
41 H GLY 5 H GLY 5 -7.637 -9.849 -3.367
42 HA2 GLY 5 HA2 GLY 5 -5.576 -10.629 -4.081
43 HA3 GLY 5 HA3 GLY 5 -5.627 -9.532 -5.475
44 H TRP 6 H TRP 6 -6.152 -7.263 -3.312
45 HA TRP 6 HA TRP 6 -3.336 -6.540 -3.067
46 HB2 TRP 6 HB2 TRP 6 -5.870 -5.162 -2.207
47 HB3 TRP 6 HB3 TRP 6 -4.250 -4.499 -1.970
48 HD1 TRP 6 HD1 TRP 6 -6.845 -5.149 -4.645
49 HE1 TRP 6 HE1 TRP 6 -6.322 -3.738 -6.731
50 HE3 TRP 6 HE3 TRP 6 -2.109 -3.662 -3.420
51 HZ2 TRP 6 HZ2 TRP 6 -3.966 -2.577 -7.915
52 HZ3 TRP 6 HZ3 TRP 6 -0.720 -2.424 -5.080
53 HH2 TRP 6 HH2 TRP 6 -1.627 -1.887 -7.323
54 H GLU 7 H GLU 7 -2.061 -6.359 -1.316
55 HA GLU 7 HA GLU 7 -3.148 -6.469 1.402
56 HB2 GLU 7 HB2 GLU 7 -2.712 -8.857 0.778
57 HB3 GLU 7 HB3 GLU 7 -1.026 -8.451 0.481
58 HG2 GLU 7 HG2 GLU 7 -1.393 -9.568 2.652
59 HG3 GLU 7 HG3 GLU 7 -0.667 -7.984 2.841
60 H LYS 8 H LYS 8 -1.574 -5.734 3.015
61 HA LYS 8 HA LYS 8 0.251 -3.674 2.080
62 HB2 LYS 8 HB2 LYS 8 -0.339 -4.845 4.806
63 HB3 LYS 8 HB3 LYS 8 1.031 -3.752 4.549
64 HG2 LYS 8 HG2 LYS 8 -0.451 -2.031 3.597
65 HG3 LYS 8 HG3 LYS 8 -1.842 -3.114 3.803
66 HD2 LYS 8 HD2 LYS 8 -1.894 -1.552 5.610
67 HD3 LYS 8 HD3 LYS 8 -1.377 -3.099 6.299
68 HE2 LYS 8 HE2 LYS 8 1.010 -2.312 6.185
69 HE3 LYS 8 HE3 LYS 8 0.453 -0.783 5.497
70 HZ1 LYS 8 HZ1 LYS 8 -0.274 -1.799 8.194
71 HZ2 LYS 8 HZ2 LYS 8 0.803 -0.610 7.895
72 HZ3 LYS 8 HZ3 LYS 8 -0.777 -0.378 7.560
73 H ARG 9 H ARG 9 2.352 -3.506 2.109
74 HA ARG 9 HA ARG 9 4.122 -5.901 2.260
75 HB2 ARG 9 HB2 ARG 9 2.939 -5.133 -0.117
76 HB3 ARG 9 HB3 ARG 9 4.325 -4.073 -0.122
77 HG2 ARG 9 HG2 ARG 9 4.843 -6.049 -1.374
78 HG3 ARG 9 HG3 ARG 9 5.804 -6.132 0.119
79 HD2 ARG 9 HD2 ARG 9 4.255 -7.758 1.076
80 HD3 ARG 9 HD3 ARG 9 3.104 -7.496 -0.256
81 HE ARG 9 HE ARG 9 5.709 -8.396 -1.187
82 HH11 ARG 9 HH11 ARG 9 5.867 -10.374 -2.176
83 HH12 ARG 9 HH12 ARG 9 4.620 -11.567 -1.944
84 HH21 ARG 9 HH21 ARG 9 2.863 -11.152 -0.700
85 HH22 ARG 9 HH22 ARG 9 2.685 -9.613 0.103
86 H MET 10 H MET 10 6.478 -5.228 2.076
87 HA MET 10 HA MET 10 7.035 -2.424 2.743
88 HB2 MET 10 HB2 MET 10 6.258 -3.521 4.894
89 HB3 MET 10 HB3 MET 10 7.658 -4.592 4.781
90 HG2 MET 10 HG2 MET 10 9.131 -2.524 4.803
91 HG3 MET 10 HG3 MET 10 7.670 -1.560 5.005
92 HE1 MET 10 HE1 MET 10 8.993 -4.968 6.680
93 HE2 MET 10 HE2 MET 10 10.346 -3.816 6.599
94 HE3 MET 10 HE3 MET 10 9.658 -4.272 8.172
95 H PHE 11 H PHE 11 9.003 -1.781 2.258
96 HA PHE 11 HA PHE 11 10.913 -3.521 0.925
97 HB2 PHE 11 HB2 PHE 11 10.897 -0.578 1.609
98 HB3 PHE 11 HB3 PHE 11 12.218 -1.368 0.743
99 HD1 PHE 11 HD1 PHE 11 9.049 0.269 0.380
100 HD2 PHE 11 HD2 PHE 11 11.654 -2.629 -1.466
101 HE1 PHE 11 HE1 PHE 11 7.944 0.669 -1.785
102 HE2 PHE 11 HE2 PHE 11 10.522 -2.245 -3.644
103 HZ PHE 11 HZ PHE 11 8.672 -0.586 -3.814
104 H ALA 12 H ALA 12 13.229 -3.588 1.405
105 HA ALA 12 HA ALA 12 13.788 -4.527 4.021
106 HB1 ALA 12 HB1 ALA 12 15.682 -3.604 1.814
107 HB2 ALA 12 HB2 ALA 12 16.110 -4.640 3.193
108 HB3 ALA 12 HB3 ALA 12 14.969 -5.227 1.970
109 H ASN 13 H ASN 13 13.928 -1.252 2.809
110 HA ASN 13 HA ASN 13 15.554 -0.204 5.020
111 HB2 ASN 13 HB2 ASN 13 15.159 1.977 3.951
112 HB3 ASN 13 HB3 ASN 13 15.749 0.771 2.795
113 HD21 ASN 13 HD21 ASN 13 14.903 2.386 1.238
114 H GLY 14 H GLY 14 12.383 -1.272 4.968
115 HA2 GLY 14 HA2 GLY 14 10.848 -1.132 6.713
116 HA3 GLY 14 HA3 GLY 14 11.667 0.296 7.367
117 H THR 15 H THR 15 10.800 0.366 3.961
118 HA THR 15 HA THR 15 8.739 2.443 4.476
119 HB THR 15 HB THR 15 10.029 1.463 1.907
120 HG1 THR 15 HG1 THR 15 11.472 2.438 3.164
121 HG21 THR 15 HG21 THR 15 8.225 3.843 2.427
122 HG22 THR 15 HG22 THR 15 9.201 3.609 0.955
123 HG23 THR 15 HG23 THR 15 7.917 2.459 1.342
124 H VAL 16 H VAL 16 6.596 2.033 4.326
125 HA VAL 16 HA VAL 16 5.684 -0.676 3.508
126 HB VAL 16 HB VAL 16 4.388 1.609 5.034
127 HG11 VAL 16 HG11 VAL 16 2.486 0.100 5.487
128 HG12 VAL 16 HG12 VAL 16 2.563 0.545 3.788
129 HG13 VAL 16 HG13 VAL 16 3.120 -1.066 4.304
130 HG21 VAL 16 HG21 VAL 16 5.133 -1.239 5.840
131 HG22 VAL 16 HG22 VAL 16 6.029 0.229 6.294
132 HG23 VAL 16 HG23 VAL 16 4.379 -0.023 6.887
133 H TYR 17 H TYR 17 4.207 -1.070 1.955
134 HA TYR 17 HA TYR 17 2.916 1.028 0.357
135 HB2 TYR 17 HB2 TYR 17 3.896 0.386 -1.735
136 HB3 TYR 17 HB3 TYR 17 5.192 0.803 -0.656
137 HD1 TYR 17 HD1 TYR 17 6.594 -1.063 0.405
138 HD2 TYR 17 HD2 TYR 17 3.821 -1.733 -2.835
139 HE1 TYR 17 HE1 TYR 17 7.838 -3.118 -0.245
140 HE2 TYR 17 HE2 TYR 17 5.033 -3.823 -3.439
141 HH TYR 17 HH TYR 17 8.035 -4.802 -1.764
142 H TYR 18 H TYR 18 1.772 -0.343 -1.572
143 HA TYR 18 HA TYR 18 0.451 -2.722 -0.329
144 HB2 TYR 18 HB2 TYR 18 -0.735 -0.601 -2.145
145 HB3 TYR 18 HB3 TYR 18 -1.564 -2.048 -1.551
146 HD1 TYR 18 HD1 TYR 18 -0.295 1.295 -0.664
147 HD2 TYR 18 HD2 TYR 18 -2.248 -2.258 0.820
148 HE1 TYR 18 HE1 TYR 18 -0.957 2.521 1.404
149 HE2 TYR 18 HE2 TYR 18 -2.927 -1.022 2.872
150 HH TYR 18 HH TYR 18 -2.894 0.968 3.981
151 H PHE 19 H PHE 19 0.151 -4.534 -1.525
152 HA PHE 19 HA PHE 19 1.107 -4.571 -4.351
153 HB2 PHE 19 HB2 PHE 19 3.020 -5.101 -3.023
154 HB3 PHE 19 HB3 PHE 19 2.109 -6.299 -2.091
155 HD1 PHE 19 HD1 PHE 19 3.211 -5.438 -5.522
156 HD2 PHE 19 HD2 PHE 19 1.992 -8.617 -2.874
157 HE1 PHE 19 HE1 PHE 19 3.742 -7.067 -7.268
158 HE2 PHE 19 HE2 PHE 19 2.614 -10.280 -4.606
159 HZ PHE 19 HZ PHE 19 3.480 -9.528 -6.814
160 H ASN 20 H ASN 20 0.043 -5.823 -5.749
161 HA ASN 20 HA ASN 20 -2.226 -7.435 -4.712
162 HB2 ASN 20 HB2 ASN 20 -2.571 -5.603 -6.413
163 HB3 ASN 20 HB3 ASN 20 -1.674 -6.597 -7.572
164 HD21 ASN 20 HD21 ASN 20 -4.735 -5.792 -6.776
165 HD22 ASN 20 HD22 ASN 20 -5.550 -7.299 -7.154
166 H HIS 21 H HIS 21 -1.872 -9.551 -4.428
167 HA HIS 21 HA HIS 21 0.463 -10.860 -5.562
168 HB2 HIS 21 HB2 HIS 21 0.074 -12.521 -4.069
169 HB3 HIS 21 HB3 HIS 21 -0.745 -11.195 -3.249
170 HD2 HIS 21 HD2 HIS 21 -3.368 -11.464 -2.833
171 HE1 HIS 21 HE1 HIS 21 -3.865 -15.319 -4.579
172 HE2 HIS 21 HE2 HIS 21 -4.980 -13.519 -3.165
173 H ILE 22 H ILE 22 -2.827 -10.575 -6.648
174 HA ILE 22 HA ILE 22 -2.833 -12.982 -8.320
175 HB ILE 22 HB ILE 22 -4.765 -10.618 -8.179
176 HG12 ILE 22 HG12 ILE 22 -4.778 -13.305 -6.713
177 HG13 ILE 22 HG13 ILE 22 -4.599 -11.701 -5.990
178 HG21 ILE 22 HG21 ILE 22 -4.967 -11.916 -10.279
179 HG22 ILE 22 HG22 ILE 22 -5.142 -13.414 -9.336
180 HG23 ILE 22 HG23 ILE 22 -6.375 -12.132 -9.263
181 HD11 ILE 22 HD11 ILE 22 -7.113 -12.861 -7.226
182 HD12 ILE 22 HD12 ILE 22 -6.812 -12.411 -5.542
183 HD13 ILE 22 HD13 ILE 22 -6.930 -11.144 -6.781
184 H THR 23 H THR 23 -2.498 -9.480 -8.751
185 HA THR 23 HA THR 23 -2.063 -9.799 -11.670
186 HB THR 23 HB THR 23 -2.857 -7.629 -11.985
187 HG1 THR 23 HG1 THR 23 -3.489 -6.578 -9.837
188 HG21 THR 23 HG21 THR 23 -5.050 -7.561 -11.011
189 HG22 THR 23 HG22 THR 23 -4.667 -9.262 -11.329
190 HG23 THR 23 HG23 THR 23 -4.576 -8.623 -9.672
191 H ASN 24 H ASN 24 -0.152 -9.255 -8.984
192 HA ASN 24 HA ASN 24 1.885 -8.515 -8.559
193 HB2 ASN 24 HB2 ASN 24 2.426 -8.749 -11.536
194 HB3 ASN 24 HB3 ASN 24 3.644 -8.570 -10.265
195 HD21 ASN 24 HD21 ASN 24 2.126 -10.861 -12.158
196 HD22 ASN 24 HD22 ASN 24 2.445 -12.255 -11.121
197 H ALA 25 H ALA 25 -0.327 -6.511 -9.516
198 HA ALA 25 HA ALA 25 1.144 -4.109 -10.160
199 HB1 ALA 25 HB1 ALA 25 -1.271 -4.400 -10.609
200 HB2 ALA 25 HB2 ALA 25 -1.590 -4.471 -8.861
201 HB3 ALA 25 HB3 ALA 25 -0.961 -2.981 -9.592
202 H SER 26 H SER 26 1.587 -2.301 -8.783
203 HA SER 26 HA SER 26 1.568 -2.717 -5.866
204 HB2 SER 26 HB2 SER 26 3.884 -2.012 -5.577
205 HB3 SER 26 HB3 SER 26 3.760 -3.547 -6.435
206 HG SER 26 HG SER 26 4.207 -2.508 -8.352
207 H GLN 27 H GLN 27 1.603 -0.782 -4.641
208 HA GLN 27 HA GLN 27 1.850 1.831 -5.953
209 HB2 GLN 27 HB2 GLN 27 -0.789 0.603 -5.408
210 HB3 GLN 27 HB3 GLN 27 -0.588 2.131 -4.577
211 HG2 GLN 27 HG2 GLN 27 -0.221 1.751 -7.559
212 HG3 GLN 27 HG3 GLN 27 -1.652 2.395 -6.759
213 HE21 GLN 27 HE21 GLN 27 -0.508 3.967 -8.693
214 HE22 GLN 27 HE22 GLN 27 0.304 5.333 -7.916
215 H PHE 28 H PHE 28 2.090 3.559 -4.564
216 HA PHE 28 HA PHE 28 2.757 2.943 -1.752
217 HB2 PHE 28 HB2 PHE 28 3.200 5.382 -3.471
218 HB3 PHE 28 HB3 PHE 28 3.450 5.372 -1.722
219 HD1 PHE 28 HD1 PHE 28 4.827 4.328 -4.943
220 HD2 PHE 28 HD2 PHE 28 5.187 3.911 -0.662
221 HE1 PHE 28 HE1 PHE 28 7.132 3.442 -5.221
222 HE2 PHE 28 HE2 PHE 28 7.494 3.038 -0.948
223 HZ PHE 28 HZ PHE 28 8.471 2.804 -3.224
224 H GLU 29 H GLU 29 0.252 4.550 -3.566
225 HA GLU 29 HA GLU 29 -1.162 5.535 -1.163
226 HB2 GLU 29 HB2 GLU 29 -1.285 6.942 -3.086
227 HB3 GLU 29 HB3 GLU 29 -1.650 5.588 -4.147
228 HG2 GLU 29 HG2 GLU 29 -3.557 7.035 -3.896
229 HG3 GLU 29 HG3 GLU 29 -3.898 5.418 -3.321
230 H ARG 30 H ARG 30 -3.239 4.688 -0.470
231 HA ARG 30 HA ARG 30 -3.303 1.826 -0.609
232 HB2 ARG 30 HB2 ARG 30 -5.225 1.814 0.784
233 HB3 ARG 30 HB3 ARG 30 -4.006 2.907 1.372
234 HG2 ARG 30 HG2 ARG 30 -6.051 3.908 1.836
235 HG3 ARG 30 HG3 ARG 30 -5.321 4.858 0.542
236 HD2 ARG 30 HD2 ARG 30 -7.855 4.431 0.472
237 HD3 ARG 30 HD3 ARG 30 -6.955 4.220 -1.009
238 HE ARG 30 HE ARG 30 -7.623 2.022 -1.089
239 HH11 ARG 30 HH11 ARG 30 -7.909 2.860 2.324
240 HH12 ARG 30 HH12 ARG 30 -8.478 1.253 2.713
241 HH21 ARG 30 HH21 ARG 30 -8.391 0.140 -0.530
242 HH22 ARG 30 HH22 ARG 30 -8.709 -0.262 1.163
243 HA PRO 31 HA PRO 31 -5.317 1.302 -4.445
244 HB2 PRO 31 HB2 PRO 31 -5.928 -1.359 -4.399
245 HB3 PRO 31 HB3 PRO 31 -4.244 -0.741 -4.465
246 HG2 PRO 31 HG2 PRO 31 -5.819 -1.596 -2.014
247 HG3 PRO 31 HG3 PRO 31 -4.169 -2.115 -2.490
248 HD2 PRO 31 HD2 PRO 31 -4.534 -0.126 -0.705
249 HD3 PRO 31 HD3 PRO 31 -3.248 -0.022 -1.949
250 H SER 32 H SER 32 -7.288 0.991 -5.515
251 HA SER 32 HA SER 32 -9.763 0.855 -3.843
252 HB2 SER 32 HB2 SER 32 -10.651 2.724 -5.153
253 HB3 SER 32 HB3 SER 32 -9.165 3.168 -4.298
254 HG SER 32 HG SER 32 -9.157 3.882 -6.474
255 H GLY 33 H GLY 33 -8.251 -0.689 -6.394
256 HA2 GLY 33 HA2 GLY 33 -10.388 -2.393 -7.006
257 HA3 GLY 33 HA3 GLY 33 -10.402 -1.147 -8.254
258 H1 GAL 101 H1 GAL 34 12.023 1.823 0.671
259 H2 GAL 101 H2 GAL 34 13.727 4.143 -0.387
260 H3 GAL 101 H3 GAL 34 10.792 3.400 -0.839
261 H4 GAL 101 H4 GAL 34 11.419 2.868 -3.137
262 H5 GAL 101 H5 GAL 34 11.636 0.988 -1.617
263 H61 GAL 101 H61 GAL 34 12.428 0.352 -3.806
264 H62 GAL 101 H62 GAL 34 14.005 1.126 -3.533
265 HO2 GAL 101 H2O GAL 34 11.703 4.018 1.635
266 HO3 GAL 101 H3O GAL 34 11.429 5.696 -0.880
267 HO4 GAL 101 H4O GAL 34 13.161 4.464 -3.103
268 HO6 GAL 101 H6O GAL 34 14.112 -0.331 -1.629
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -11.142 -5.308 3.502
2 H2 LYS 1 H2 LYS 1 -11.953 -3.884 3.543
3 H3 LYS 1 H3 LYS 1 -11.635 -4.685 4.929
4 HA LYS 1 HA LYS 1 -10.187 -2.809 4.740
5 HB2 LYS 1 HB2 LYS 1 -9.406 -4.968 5.831
6 HB3 LYS 1 HB3 LYS 1 -8.561 -5.350 4.332
7 HG2 LYS 1 HG2 LYS 1 -7.346 -3.076 4.613
8 HG3 LYS 1 HG3 LYS 1 -8.131 -2.967 6.184
9 HD2 LYS 1 HD2 LYS 1 -5.961 -3.800 6.610
10 HD3 LYS 1 HD3 LYS 1 -7.035 -5.195 6.785
11 HE2 LYS 1 HE2 LYS 1 -6.427 -5.911 4.453
12 HE3 LYS 1 HE3 LYS 1 -5.370 -4.497 4.317
13 HZ1 LYS 1 HZ1 LYS 1 -4.090 -5.402 6.212
14 HZ2 LYS 1 HZ2 LYS 1 -5.015 -6.752 6.210
15 HZ3 LYS 1 HZ3 LYS 1 -4.062 -6.403 4.924
16 H LEU 2 H LEU 2 -9.134 -5.131 2.184
17 HA LEU 2 HA LEU 2 -8.532 -2.829 0.391
18 HB2 LEU 2 HB2 LEU 2 -6.951 -5.386 0.837
19 HB3 LEU 2 HB3 LEU 2 -6.594 -4.184 -0.411
20 HG LEU 2 HG LEU 2 -6.529 -3.523 2.549
21 HD11 LEU 2 HD11 LEU 2 -4.081 -3.704 2.352
22 HD12 LEU 2 HD12 LEU 2 -4.878 -5.259 2.048
23 HD13 LEU 2 HD13 LEU 2 -4.260 -4.298 0.685
24 HD21 LEU 2 HD21 LEU 2 -5.228 -1.595 1.835
25 HD22 LEU 2 HD22 LEU 2 -5.265 -2.154 0.151
26 HD23 LEU 2 HD23 LEU 2 -6.753 -1.591 0.947
27 HA PRO 3 HA PRO 3 -10.875 -4.958 -2.703
28 HB2 PRO 3 HB2 PRO 3 -8.971 -4.229 -4.860
29 HB3 PRO 3 HB3 PRO 3 -10.657 -3.697 -4.608
30 HG2 PRO 3 HG2 PRO 3 -8.517 -2.033 -4.202
31 HG3 PRO 3 HG3 PRO 3 -10.003 -1.941 -3.195
32 HD2 PRO 3 HD2 PRO 3 -7.401 -3.372 -2.597
33 HD3 PRO 3 HD3 PRO 3 -8.330 -2.254 -1.558
34 HA PRO 4 HA PRO 4 -9.643 -8.995 -3.700
35 HB2 PRO 4 HB2 PRO 4 -9.882 -8.498 -6.677
36 HB3 PRO 4 HB3 PRO 4 -10.498 -9.878 -5.707
37 HG2 PRO 4 HG2 PRO 4 -12.178 -7.879 -6.386
38 HG3 PRO 4 HG3 PRO 4 -12.190 -8.500 -4.700
39 HD2 PRO 4 HD2 PRO 4 -10.832 -6.018 -5.783
40 HD3 PRO 4 HD3 PRO 4 -11.807 -6.216 -4.292
41 H GLY 5 H GLY 5 -7.756 -9.924 -3.480
42 HA2 GLY 5 HA2 GLY 5 -5.643 -10.717 -3.897
43 HA3 GLY 5 HA3 GLY 5 -5.590 -9.801 -5.412
44 H TRP 6 H TRP 6 -6.252 -7.381 -3.277
45 HA TRP 6 HA TRP 6 -3.454 -6.558 -3.088
46 HB2 TRP 6 HB2 TRP 6 -6.029 -5.266 -2.222
47 HB3 TRP 6 HB3 TRP 6 -4.435 -4.563 -1.933
48 HD1 TRP 6 HD1 TRP 6 -6.974 -5.155 -4.666
49 HE1 TRP 6 HE1 TRP 6 -6.383 -3.759 -6.739
50 HE3 TRP 6 HE3 TRP 6 -2.264 -3.718 -3.309
51 HZ2 TRP 6 HZ2 TRP 6 -3.979 -2.613 -7.856
52 HZ3 TRP 6 HZ3 TRP 6 -0.803 -2.522 -4.938
53 HH2 TRP 6 HH2 TRP 6 -1.644 -1.968 -7.206
54 H GLU 7 H GLU 7 -2.145 -6.345 -1.369
55 HA GLU 7 HA GLU 7 -3.159 -6.514 1.371
56 HB2 GLU 7 HB2 GLU 7 -2.677 -8.887 0.683
57 HB3 GLU 7 HB3 GLU 7 -1.006 -8.430 0.389
58 HG2 GLU 7 HG2 GLU 7 -1.348 -9.595 2.547
59 HG3 GLU 7 HG3 GLU 7 -0.639 -8.005 2.748
60 H LYS 8 H LYS 8 -1.573 -5.745 2.955
61 HA LYS 8 HA LYS 8 0.242 -3.684 1.944
62 HB2 LYS 8 HB2 LYS 8 -0.404 -4.713 4.714
63 HB3 LYS 8 HB3 LYS 8 0.976 -3.638 4.429
64 HG2 LYS 8 HG2 LYS 8 -0.469 -1.954 3.381
65 HG3 LYS 8 HG3 LYS 8 -1.872 -3.024 3.568
66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.383 5.307
67 HD3 LYS 8 HD3 LYS 8 -1.538 -2.918 6.071
68 HE2 LYS 8 HE2 LYS 8 0.869 -2.188 6.068
69 HE3 LYS 8 HE3 LYS 8 0.387 -0.671 5.302
70 HZ1 LYS 8 HZ1 LYS 8 -0.513 -1.581 7.984
71 HZ2 LYS 8 HZ2 LYS 8 0.603 -0.424 7.708
72 HZ3 LYS 8 HZ3 LYS 8 -0.950 -0.174 7.275
73 H ARG 9 H ARG 9 2.356 -3.529 1.995
74 HA ARG 9 HA ARG 9 4.097 -5.921 2.345
75 HB2 ARG 9 HB2 ARG 9 3.060 -5.667 -0.028
76 HB3 ARG 9 HB3 ARG 9 4.032 -4.215 -0.184
77 HG2 ARG 9 HG2 ARG 9 5.121 -6.007 -1.312
78 HG3 ARG 9 HG3 ARG 9 6.097 -5.648 0.124
79 HD2 ARG 9 HD2 ARG 9 5.032 -7.591 1.285
80 HD3 ARG 9 HD3 ARG 9 4.094 -7.940 -0.179
81 HE ARG 9 HE ARG 9 6.916 -8.516 0.339
82 HH11 ARG 9 HH11 ARG 9 7.511 -9.889 -2.747
83 HH12 ARG 9 HH12 ARG 9 8.098 -9.676 -1.121
84 HH21 ARG 9 HH21 ARG 9 4.627 -8.103 -2.295
85 HH22 ARG 9 HH22 ARG 9 5.607 -9.031 -3.395
86 H MET 10 H MET 10 6.480 -5.249 2.133
87 HA MET 10 HA MET 10 7.022 -2.422 2.747
88 HB2 MET 10 HB2 MET 10 6.222 -3.478 4.903
89 HB3 MET 10 HB3 MET 10 7.594 -4.586 4.809
90 HG2 MET 10 HG2 MET 10 9.124 -2.564 4.836
91 HG3 MET 10 HG3 MET 10 7.691 -1.555 5.018
92 HE1 MET 10 HE1 MET 10 9.558 -4.314 8.219
93 HE2 MET 10 HE2 MET 10 8.884 -4.996 6.725
94 HE3 MET 10 HE3 MET 10 10.276 -3.891 6.650
95 H PHE 11 H PHE 11 8.987 -1.793 2.275
96 HA PHE 11 HA PHE 11 10.879 -3.534 0.932
97 HB2 PHE 11 HB2 PHE 11 10.831 -0.599 1.623
98 HB3 PHE 11 HB3 PHE 11 12.186 -1.361 0.777
99 HD1 PHE 11 HD1 PHE 11 11.592 -2.711 -1.418
100 HD2 PHE 11 HD2 PHE 11 9.093 0.325 0.356
101 HE1 PHE 11 HE1 PHE 11 10.477 -2.337 -3.608
102 HE2 PHE 11 HE2 PHE 11 7.989 0.695 -1.824
103 HZ PHE 11 HZ PHE 11 8.679 -0.628 -3.818
104 H ALA 12 H ALA 12 13.203 -3.613 1.385
105 HA ALA 12 HA ALA 12 13.793 -4.544 4.004
106 HB1 ALA 12 HB1 ALA 12 14.943 -5.268 1.944
107 HB2 ALA 12 HB2 ALA 12 15.658 -3.647 1.761
108 HB3 ALA 12 HB3 ALA 12 16.103 -4.669 3.145
109 H ASN 13 H ASN 13 13.917 -1.292 2.746
110 HA ASN 13 HA ASN 13 15.555 -0.184 4.916
111 HB2 ASN 13 HB2 ASN 13 15.052 1.982 3.828
112 HB3 ASN 13 HB3 ASN 13 15.704 0.782 2.701
113 HD21 ASN 13 HD21 ASN 13 14.821 2.226 1.055
114 H GLY 14 H GLY 14 12.378 -1.282 4.894
115 HA2 GLY 14 HA2 GLY 14 10.900 -1.202 6.687
116 HA3 GLY 14 HA3 GLY 14 11.716 0.224 7.346
117 H THR 15 H THR 15 10.837 0.515 3.978
118 HA THR 15 HA THR 15 8.663 2.435 4.658
119 HB THR 15 HB THR 15 10.185 1.741 2.115
120 HG1 THR 15 HG1 THR 15 10.946 3.785 2.380
121 HG21 THR 15 HG21 THR 15 9.058 3.711 1.076
122 HG22 THR 15 HG22 THR 15 7.969 2.346 1.329
123 HG23 THR 15 HG23 THR 15 7.914 3.740 2.437
124 H VAL 16 H VAL 16 6.559 1.984 4.387
125 HA VAL 16 HA VAL 16 5.724 -0.726 3.499
126 HB VAL 16 HB VAL 16 4.393 1.513 5.064
127 HG11 VAL 16 HG11 VAL 16 2.574 0.519 3.757
128 HG12 VAL 16 HG12 VAL 16 3.099 -1.117 4.230
129 HG13 VAL 16 HG13 VAL 16 2.469 0.023 5.441
130 HG21 VAL 16 HG21 VAL 16 4.331 -0.173 6.862
131 HG22 VAL 16 HG22 VAL 16 5.080 -1.369 5.789
132 HG23 VAL 16 HG23 VAL 16 5.995 0.069 6.302
133 H TYR 17 H TYR 17 4.231 -1.099 1.928
134 HA TYR 17 HA TYR 17 2.969 1.047 0.371
135 HB2 TYR 17 HB2 TYR 17 3.920 0.400 -1.740
136 HB3 TYR 17 HB3 TYR 17 5.221 0.812 -0.662
137 HD1 TYR 17 HD1 TYR 17 6.615 -1.064 0.399
138 HD2 TYR 17 HD2 TYR 17 3.843 -1.717 -2.844
139 HE1 TYR 17 HE1 TYR 17 7.885 -3.090 -0.286
140 HE2 TYR 17 HE2 TYR 17 5.086 -3.775 -3.489
141 HH TYR 17 HH TYR 17 8.134 -4.705 -1.873
142 H TYR 18 H TYR 18 1.762 -0.198 -1.556
143 HA TYR 18 HA TYR 18 0.370 -2.565 -0.376
144 HB2 TYR 18 HB2 TYR 18 -0.697 -0.387 -2.194
145 HB3 TYR 18 HB3 TYR 18 -1.580 -1.833 -1.684
146 HD1 TYR 18 HD1 TYR 18 -2.399 -2.096 0.627
147 HD2 TYR 18 HD2 TYR 18 -0.220 1.423 -0.599
148 HE1 TYR 18 HE1 TYR 18 -3.096 -0.923 2.717
149 HE2 TYR 18 HE2 TYR 18 -0.902 2.580 1.497
150 HH TYR 18 HH TYR 18 -2.061 2.412 3.454
151 H PHE 19 H PHE 19 0.081 -4.394 -1.552
152 HA PHE 19 HA PHE 19 1.054 -4.464 -4.367
153 HB2 PHE 19 HB2 PHE 19 2.984 -4.931 -3.027
154 HB3 PHE 19 HB3 PHE 19 2.099 -6.140 -2.087
155 HD1 PHE 19 HD1 PHE 19 3.222 -5.289 -5.511
156 HD2 PHE 19 HD2 PHE 19 1.986 -8.452 -2.857
157 HE1 PHE 19 HE1 PHE 19 3.774 -6.927 -7.244
158 HE2 PHE 19 HE2 PHE 19 2.623 -10.128 -4.577
159 HZ PHE 19 HZ PHE 19 3.515 -9.387 -6.780
160 H ASN 20 H ASN 20 0.062 -5.831 -5.733
161 HA ASN 20 HA ASN 20 -2.198 -7.427 -4.635
162 HB2 ASN 20 HB2 ASN 20 -2.572 -5.605 -6.349
163 HB3 ASN 20 HB3 ASN 20 -1.709 -6.620 -7.514
164 HD21 ASN 20 HD21 ASN 20 -4.742 -5.787 -6.651
165 HD22 ASN 20 HD22 ASN 20 -5.580 -7.302 -6.930
166 H HIS 21 H HIS 21 -1.838 -9.552 -4.346
167 HA HIS 21 HA HIS 21 0.498 -10.831 -5.540
168 HB2 HIS 21 HB2 HIS 21 0.255 -12.441 -3.988
169 HB3 HIS 21 HB3 HIS 21 -0.601 -11.142 -3.160
170 HD2 HIS 21 HD2 HIS 21 -3.347 -11.421 -2.990
171 HE1 HIS 21 HE1 HIS 21 -3.425 -15.551 -4.035
172 HE2 HIS 21 HE2 HIS 21 -4.767 -13.635 -3.034
173 H ILE 22 H ILE 22 -2.788 -10.570 -6.542
174 HA ILE 22 HA ILE 22 -2.843 -12.993 -8.209
175 HB ILE 22 HB ILE 22 -4.717 -10.599 -8.013
176 HG12 ILE 22 HG12 ILE 22 -4.532 -11.852 -5.853
177 HG13 ILE 22 HG13 ILE 22 -6.139 -11.854 -6.558
178 HG21 ILE 22 HG21 ILE 22 -5.107 -11.654 -10.115
179 HG22 ILE 22 HG22 ILE 22 -5.095 -13.273 -9.390
180 HG23 ILE 22 HG23 ILE 22 -6.412 -12.131 -9.028
181 HD11 ILE 22 HD11 ILE 22 -5.822 -14.178 -7.335
182 HD12 ILE 22 HD12 ILE 22 -4.166 -14.171 -6.675
183 HD13 ILE 22 HD13 ILE 22 -5.568 -14.021 -5.594
184 H THR 23 H THR 23 -2.471 -9.491 -8.628
185 HA THR 23 HA THR 23 -2.063 -9.807 -11.553
186 HB THR 23 HB THR 23 -2.919 -7.669 -11.879
187 HG1 THR 23 HG1 THR 23 -3.535 -6.571 -9.766
188 HG21 THR 23 HG21 THR 23 -4.691 -9.316 -11.164
189 HG22 THR 23 HG22 THR 23 -4.578 -8.646 -9.518
190 HG23 THR 23 HG23 THR 23 -5.092 -7.616 -10.866
191 H ASN 24 H ASN 24 -0.131 -9.284 -8.922
192 HA ASN 24 HA ASN 24 1.782 -8.368 -8.413
193 HB2 ASN 24 HB2 ASN 24 3.682 -8.601 -9.823
194 HB3 ASN 24 HB3 ASN 24 2.635 -10.018 -9.955
195 HD21 ASN 24 HD21 ASN 24 3.375 -6.917 -11.600
196 HD22 ASN 24 HD22 ASN 24 3.166 -7.580 -13.229
197 H ALA 25 H ALA 25 -0.363 -6.465 -9.408
198 HA ALA 25 HA ALA 25 1.088 -4.058 -10.136
199 HB1 ALA 25 HB1 ALA 25 -1.030 -2.943 -9.580
200 HB2 ALA 25 HB2 ALA 25 -1.322 -4.377 -10.582
201 HB3 ALA 25 HB3 ALA 25 -1.642 -4.433 -8.834
202 H SER 26 H SER 26 1.532 -2.227 -8.778
203 HA SER 26 HA SER 26 1.519 -2.619 -5.853
204 HB2 SER 26 HB2 SER 26 3.833 -1.911 -5.597
205 HB3 SER 26 HB3 SER 26 3.707 -3.426 -6.493
206 HG SER 26 HG SER 26 5.183 -2.003 -7.472
207 H GLN 27 H GLN 27 1.532 -0.696 -4.629
208 HA GLN 27 HA GLN 27 1.680 1.935 -5.978
209 HB2 GLN 27 HB2 GLN 27 -0.805 0.933 -4.524
210 HB3 GLN 27 HB3 GLN 27 -0.425 2.645 -4.786
211 HG2 GLN 27 HG2 GLN 27 -0.477 2.381 -7.172
212 HG3 GLN 27 HG3 GLN 27 -0.874 0.653 -7.010
213 HE21 GLN 27 HE21 GLN 27 -2.485 2.621 -4.592
214 HE22 GLN 27 HE22 GLN 27 -3.996 2.778 -5.491
215 H PHE 28 H PHE 28 2.274 3.614 -4.690
216 HA PHE 28 HA PHE 28 3.006 3.085 -1.902
217 HB2 PHE 28 HB2 PHE 28 3.453 5.425 -3.733
218 HB3 PHE 28 HB3 PHE 28 3.734 5.530 -1.992
219 HD1 PHE 28 HD1 PHE 28 5.438 4.118 -0.854
220 HD2 PHE 28 HD2 PHE 28 5.030 4.204 -5.148
221 HE1 PHE 28 HE1 PHE 28 7.722 3.171 -1.094
222 HE2 PHE 28 HE2 PHE 28 7.310 3.243 -5.383
223 HZ PHE 28 HZ PHE 28 8.662 2.735 -3.357
224 H GLU 29 H GLU 29 0.245 4.266 -3.442
225 HA GLU 29 HA GLU 29 -0.928 5.259 -0.878
226 HB2 GLU 29 HB2 GLU 29 -0.936 7.055 -2.436
227 HB3 GLU 29 HB3 GLU 29 -1.404 6.005 -3.764
228 HG2 GLU 29 HG2 GLU 29 -3.198 7.492 -3.194
229 HG3 GLU 29 HG3 GLU 29 -3.668 5.822 -2.949
230 H ARG 30 H ARG 30 -3.101 4.513 -0.368
231 HA ARG 30 HA ARG 30 -3.234 1.727 -0.777
232 HB2 ARG 30 HB2 ARG 30 -5.161 1.626 0.535
233 HB3 ARG 30 HB3 ARG 30 -4.133 2.851 1.226
234 HG2 ARG 30 HG2 ARG 30 -5.621 4.536 0.882
235 HG3 ARG 30 HG3 ARG 30 -6.208 3.916 -0.667
236 HD2 ARG 30 HD2 ARG 30 -6.918 2.763 2.043
237 HD3 ARG 30 HD3 ARG 30 -7.940 3.850 1.094
238 HE ARG 30 HE ARG 30 -7.631 1.893 -0.731
239 HH11 ARG 30 HH11 ARG 30 -8.277 1.386 2.708
240 HH12 ARG 30 HH12 ARG 30 -9.044 -0.155 2.367
241 HH21 ARG 30 HH21 ARG 30 -8.745 0.112 -1.024
242 HH22 ARG 30 HH22 ARG 30 -9.461 -0.756 0.339
243 HA PRO 31 HA PRO 31 -5.384 1.189 -4.583
244 HB2 PRO 31 HB2 PRO 31 -6.277 -1.377 -4.346
245 HB3 PRO 31 HB3 PRO 31 -4.536 -0.959 -4.496
246 HG2 PRO 31 HG2 PRO 31 -6.131 -1.479 -1.960
247 HG3 PRO 31 HG3 PRO 31 -4.566 -2.219 -2.439
248 HD2 PRO 31 HD2 PRO 31 -4.654 -0.102 -0.779
249 HD3 PRO 31 HD3 PRO 31 -3.395 -0.219 -2.050
250 H SER 32 H SER 32 -7.409 0.934 -5.594
251 HA SER 32 HA SER 32 -9.858 0.913 -3.880
252 HB2 SER 32 HB2 SER 32 -10.804 2.670 -5.293
253 HB3 SER 32 HB3 SER 32 -9.319 3.207 -4.493
254 HG SER 32 HG SER 32 -9.363 3.777 -6.712
255 H GLY 33 H GLY 33 -8.313 -0.665 -6.422
256 HA2 GLY 33 HA2 GLY 33 -10.272 -2.575 -6.893
257 HA3 GLY 33 HA3 GLY 33 -10.547 -1.352 -8.135
258 H1 GAL 101 H1 GAL 34 11.972 1.524 0.503
259 H2 GAL 101 H2 GAL 34 13.475 4.009 -0.484
260 H3 GAL 101 H3 GAL 34 10.611 3.030 -0.951
261 H4 GAL 101 H4 GAL 34 11.274 2.633 -3.272
262 H5 GAL 101 H5 GAL 34 11.642 0.737 -1.809
263 H61 GAL 101 H61 GAL 34 12.475 0.285 -4.046
264 H62 GAL 101 H62 GAL 34 14.021 1.084 -3.683
265 HO2 GAL 101 H2O GAL 34 12.774 4.458 1.547
266 HO3 GAL 101 H3O GAL 34 11.014 5.358 -0.916
267 HO4 GAL 101 H4O GAL 34 12.881 4.362 -3.189
268 HO6 GAL 101 H6O GAL 34 14.144 -0.479 -1.877
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -12.237 -3.712 3.361
2 H2 LYS 1 H2 LYS 1 -12.207 -4.708 4.655
3 H3 LYS 1 H3 LYS 1 -11.668 -5.243 3.206
4 HA LYS 1 HA LYS 1 -10.463 -3.093 4.814
5 HB2 LYS 1 HB2 LYS 1 -10.104 -5.220 5.900
6 HB3 LYS 1 HB3 LYS 1 -9.529 -5.955 4.411
7 HG2 LYS 1 HG2 LYS 1 -7.705 -5.479 5.939
8 HG3 LYS 1 HG3 LYS 1 -7.507 -4.571 4.447
9 HD2 LYS 1 HD2 LYS 1 -8.358 -2.518 5.563
10 HD3 LYS 1 HD3 LYS 1 -8.600 -3.422 7.064
11 HE2 LYS 1 HE2 LYS 1 -5.919 -3.033 5.649
12 HE3 LYS 1 HE3 LYS 1 -6.505 -2.036 6.986
13 HZ1 LYS 1 HZ1 LYS 1 -5.046 -3.771 7.802
14 HZ2 LYS 1 HZ2 LYS 1 -6.548 -4.035 8.379
15 HZ3 LYS 1 HZ3 LYS 1 -5.966 -4.952 7.155
16 H LEU 2 H LEU 2 -9.113 -5.294 2.319
17 HA LEU 2 HA LEU 2 -8.371 -2.913 0.687
18 HB2 LEU 2 HB2 LEU 2 -6.952 -5.540 1.222
19 HB3 LEU 2 HB3 LEU 2 -6.537 -4.527 -0.164
20 HG LEU 2 HG LEU 2 -6.441 -3.478 2.687
21 HD11 LEU 2 HD11 LEU 2 -4.864 -5.367 2.430
22 HD12 LEU 2 HD12 LEU 2 -4.178 -4.597 0.983
23 HD13 LEU 2 HD13 LEU 2 -4.012 -3.820 2.576
24 HD21 LEU 2 HD21 LEU 2 -4.994 -1.756 1.707
25 HD22 LEU 2 HD22 LEU 2 -5.146 -2.507 0.105
26 HD23 LEU 2 HD23 LEU 2 -6.554 -1.754 0.887
27 HA PRO 3 HA PRO 3 -10.747 -4.623 -2.610
28 HB2 PRO 3 HB2 PRO 3 -8.782 -3.844 -4.682
29 HB3 PRO 3 HB3 PRO 3 -10.425 -3.214 -4.383
30 HG2 PRO 3 HG2 PRO 3 -8.153 -1.762 -3.836
31 HG3 PRO 3 HG3 PRO 3 -9.659 -1.618 -2.866
32 HD2 PRO 3 HD2 PRO 3 -7.184 -3.251 -2.279
33 HD3 PRO 3 HD3 PRO 3 -8.099 -2.161 -1.200
34 HA PRO 4 HA PRO 4 -9.770 -8.643 -3.825
35 HB2 PRO 4 HB2 PRO 4 -9.931 -7.964 -6.771
36 HB3 PRO 4 HB3 PRO 4 -10.649 -9.353 -5.890
37 HG2 PRO 4 HG2 PRO 4 -12.181 -7.209 -6.465
38 HG3 PRO 4 HG3 PRO 4 -12.257 -7.923 -4.819
39 HD2 PRO 4 HD2 PRO 4 -10.726 -5.478 -5.743
40 HD3 PRO 4 HD3 PRO 4 -11.726 -5.700 -4.273
41 H GLY 5 H GLY 5 -7.915 -9.598 -3.510
42 HA2 GLY 5 HA2 GLY 5 -5.856 -10.533 -3.914
43 HA3 GLY 5 HA3 GLY 5 -5.742 -9.643 -5.440
44 H TRP 6 H TRP 6 -6.267 -7.190 -3.261
45 HA TRP 6 HA TRP 6 -3.430 -6.499 -3.170
46 HB2 TRP 6 HB2 TRP 6 -5.910 -5.101 -2.206
47 HB3 TRP 6 HB3 TRP 6 -4.279 -4.470 -1.948
48 HD1 TRP 6 HD1 TRP 6 -6.904 -4.939 -4.623
49 HE1 TRP 6 HE1 TRP 6 -6.310 -3.557 -6.708
50 HE3 TRP 6 HE3 TRP 6 -2.081 -3.787 -3.420
51 HZ2 TRP 6 HZ2 TRP 6 -3.907 -2.470 -7.865
52 HZ3 TRP 6 HZ3 TRP 6 -0.621 -2.636 -5.075
53 HH2 TRP 6 HH2 TRP 6 -1.515 -1.972 -7.294
54 H GLU 7 H GLU 7 -2.029 -6.513 -1.565
55 HA GLU 7 HA GLU 7 -2.839 -6.831 1.263
56 HB2 GLU 7 HB2 GLU 7 -1.009 -8.693 -0.302
57 HB3 GLU 7 HB3 GLU 7 -0.890 -8.529 1.447
58 HG2 GLU 7 HG2 GLU 7 -3.341 -9.496 -0.076
59 HG3 GLU 7 HG3 GLU 7 -2.169 -10.499 0.759
60 H LYS 8 H LYS 8 -1.206 -6.230 2.785
61 HA LYS 8 HA LYS 8 0.512 -4.045 1.894
62 HB2 LYS 8 HB2 LYS 8 -0.126 -5.221 4.603
63 HB3 LYS 8 HB3 LYS 8 1.242 -4.120 4.389
64 HG2 LYS 8 HG2 LYS 8 -0.235 -2.416 3.376
65 HG3 LYS 8 HG3 LYS 8 -1.622 -3.505 3.584
66 HD2 LYS 8 HD2 LYS 8 -1.681 -1.900 5.365
67 HD3 LYS 8 HD3 LYS 8 -1.204 -3.450 6.076
68 HE2 LYS 8 HE2 LYS 8 1.192 -2.712 6.013
69 HE3 LYS 8 HE3 LYS 8 0.688 -1.178 5.295
70 HZ1 LYS 8 HZ1 LYS 8 -0.581 -0.721 7.323
71 HZ2 LYS 8 HZ2 LYS 8 -0.125 -2.147 7.983
72 HZ3 LYS 8 HZ3 LYS 8 0.986 -0.988 7.698
73 H ARG 9 H ARG 9 2.600 -3.779 1.954
74 HA ARG 9 HA ARG 9 4.503 -6.008 2.511
75 HB2 ARG 9 HB2 ARG 9 4.504 -4.266 0.015
76 HB3 ARG 9 HB3 ARG 9 5.764 -5.426 0.443
77 HG2 ARG 9 HG2 ARG 9 2.898 -6.095 -0.304
78 HG3 ARG 9 HG3 ARG 9 4.333 -6.257 -1.333
79 HD2 ARG 9 HD2 ARG 9 5.325 -7.901 0.157
80 HD3 ARG 9 HD3 ARG 9 3.973 -7.770 1.288
81 HE ARG 9 HE ARG 9 3.973 -9.047 -1.399
82 HH11 ARG 9 HH11 ARG 9 2.080 -8.379 1.502
83 HH12 ARG 9 HH12 ARG 9 1.068 -9.778 1.233
84 HH21 ARG 9 HH21 ARG 9 2.576 -10.726 -1.696
85 HH22 ARG 9 HH22 ARG 9 1.286 -11.003 -0.561
86 H MET 10 H MET 10 6.791 -5.172 2.531
87 HA MET 10 HA MET 10 7.142 -2.315 2.982
88 HB2 MET 10 HB2 MET 10 6.298 -3.187 5.199
89 HB3 MET 10 HB3 MET 10 7.724 -4.228 5.276
90 HG2 MET 10 HG2 MET 10 9.154 -2.137 5.144
91 HG3 MET 10 HG3 MET 10 7.669 -1.189 5.165
92 HE1 MET 10 HE1 MET 10 9.534 -3.495 8.708
93 HE2 MET 10 HE2 MET 10 8.957 -4.364 7.271
94 HE3 MET 10 HE3 MET 10 10.294 -3.200 7.129
95 H PHE 11 H PHE 11 9.100 -1.656 2.464
96 HA PHE 11 HA PHE 11 11.136 -3.439 1.431
97 HB2 PHE 11 HB2 PHE 11 10.980 -0.448 1.814
98 HB3 PHE 11 HB3 PHE 11 12.377 -1.261 1.104
99 HD1 PHE 11 HD1 PHE 11 12.010 -2.734 -0.999
100 HD2 PHE 11 HD2 PHE 11 9.151 0.174 0.409
101 HE1 PHE 11 HE1 PHE 11 11.004 -2.608 -3.266
102 HE2 PHE 11 HE2 PHE 11 8.174 0.318 -1.845
103 HZ PHE 11 HZ PHE 11 9.093 -1.072 -3.701
104 H ALA 12 H ALA 12 13.421 -3.397 2.019
105 HA ALA 12 HA ALA 12 13.882 -4.034 4.744
106 HB1 ALA 12 HB1 ALA 12 16.241 -4.171 4.034
107 HB2 ALA 12 HB2 ALA 12 15.171 -4.918 2.834
108 HB3 ALA 12 HB3 ALA 12 15.855 -3.301 2.533
109 H ASN 13 H ASN 13 13.991 -0.904 3.193
110 HA ASN 13 HA ASN 13 15.488 0.423 5.344
111 HB2 ASN 13 HB2 ASN 13 15.086 2.462 4.035
112 HB3 ASN 13 HB3 ASN 13 15.752 1.161 3.036
113 HD21 ASN 13 HD21 ASN 13 14.931 2.587 1.290
114 H GLY 14 H GLY 14 12.356 -0.749 5.281
115 HA2 GLY 14 HA2 GLY 14 10.749 -0.480 6.944
116 HA3 GLY 14 HA3 GLY 14 11.491 1.043 7.465
117 H THR 15 H THR 15 10.774 0.717 4.042
118 HA THR 15 HA THR 15 8.611 2.744 4.248
119 HB THR 15 HB THR 15 10.053 1.562 1.850
120 HG1 THR 15 HG1 THR 15 11.404 2.714 3.059
121 HG21 THR 15 HG21 THR 15 8.121 3.886 2.055
122 HG22 THR 15 HG22 THR 15 9.196 3.591 0.668
123 HG23 THR 15 HG23 THR 15 7.953 2.402 1.075
124 H VAL 16 H VAL 16 6.491 2.212 4.068
125 HA VAL 16 HA VAL 16 5.741 -0.611 3.493
126 HB VAL 16 HB VAL 16 4.288 1.759 4.721
127 HG11 VAL 16 HG11 VAL 16 2.416 0.233 5.241
128 HG12 VAL 16 HG12 VAL 16 2.562 0.506 3.510
129 HG13 VAL 16 HG13 VAL 16 3.147 -1.021 4.212
130 HG21 VAL 16 HG21 VAL 16 4.259 0.337 6.731
131 HG22 VAL 16 HG22 VAL 16 5.084 -0.961 5.849
132 HG23 VAL 16 HG23 VAL 16 5.924 0.573 6.175
133 H TYR 17 H TYR 17 4.354 -1.225 1.898
134 HA TYR 17 HA TYR 17 3.081 0.729 0.108
135 HB2 TYR 17 HB2 TYR 17 4.059 -0.117 -1.923
136 HB3 TYR 17 HB3 TYR 17 5.331 0.451 -0.878
137 HD1 TYR 17 HD1 TYR 17 6.784 -1.225 0.371
138 HD2 TYR 17 HD2 TYR 17 4.058 -2.384 -2.781
139 HE1 TYR 17 HE1 TYR 17 8.142 -3.261 -0.067
140 HE2 TYR 17 HE2 TYR 17 5.423 -4.409 -3.211
141 HH TYR 17 HH TYR 17 8.437 -5.081 -1.409
142 H TYR 18 H TYR 18 1.951 -0.651 -1.706
143 HA TYR 18 HA TYR 18 0.609 -3.020 -0.479
144 HB2 TYR 18 HB2 TYR 18 -0.590 -0.835 -2.216
145 HB3 TYR 18 HB3 TYR 18 -1.425 -2.287 -1.645
146 HD1 TYR 18 HD1 TYR 18 -2.173 -2.510 0.674
147 HD2 TYR 18 HD2 TYR 18 -0.028 0.994 -0.651
148 HE1 TYR 18 HE1 TYR 18 -2.811 -1.324 2.767
149 HE2 TYR 18 HE2 TYR 18 -0.639 2.166 1.465
150 HH TYR 18 HH TYR 18 -2.669 0.608 3.964
151 H PHE 19 H PHE 19 0.239 -4.769 -1.752
152 HA PHE 19 HA PHE 19 1.112 -4.730 -4.603
153 HB2 PHE 19 HB2 PHE 19 3.060 -5.367 -3.324
154 HB3 PHE 19 HB3 PHE 19 2.116 -6.594 -2.453
155 HD1 PHE 19 HD1 PHE 19 3.226 -5.574 -5.846
156 HD2 PHE 19 HD2 PHE 19 1.898 -8.822 -3.351
157 HE1 PHE 19 HE1 PHE 19 3.649 -7.132 -7.689
158 HE2 PHE 19 HE2 PHE 19 2.405 -10.426 -5.184
159 HZ PHE 19 HZ PHE 19 3.273 -9.597 -7.364
160 H ASN 20 H ASN 20 -0.014 -5.991 -5.968
161 HA ASN 20 HA ASN 20 -2.310 -7.488 -4.827
162 HB2 ASN 20 HB2 ASN 20 -2.619 -5.596 -6.479
163 HB3 ASN 20 HB3 ASN 20 -1.879 -6.641 -7.704
164 HD21 ASN 20 HD21 ASN 20 -4.799 -5.615 -6.710
165 HD22 ASN 20 HD22 ASN 20 -5.756 -7.067 -6.939
166 H HIS 21 H HIS 21 -1.988 -9.635 -4.550
167 HA HIS 21 HA HIS 21 0.183 -11.006 -5.936
168 HB2 HIS 21 HB2 HIS 21 -0.078 -12.695 -4.444
169 HB3 HIS 21 HB3 HIS 21 -0.690 -11.337 -3.499
170 HD2 HIS 21 HD2 HIS 21 -3.441 -11.308 -3.092
171 HE1 HIS 21 HE1 HIS 21 -4.051 -15.393 -4.138
172 HE2 HIS 21 HE2 HIS 21 -5.089 -13.357 -3.014
173 H ILE 22 H ILE 22 -3.114 -10.517 -6.730
174 HA ILE 22 HA ILE 22 -3.436 -12.907 -8.419
175 HB ILE 22 HB ILE 22 -5.160 -10.429 -8.018
176 HG12 ILE 22 HG12 ILE 22 -4.849 -11.773 -5.914
177 HG13 ILE 22 HG13 ILE 22 -6.507 -11.637 -6.464
178 HG21 ILE 22 HG21 ILE 22 -5.787 -13.035 -9.431
179 HG22 ILE 22 HG22 ILE 22 -7.007 -11.839 -8.933
180 HG23 ILE 22 HG23 ILE 22 -5.768 -11.395 -10.108
181 HD11 ILE 22 HD11 ILE 22 -6.429 -13.947 -7.346
182 HD12 ILE 22 HD12 ILE 22 -4.723 -14.078 -6.840
183 HD13 ILE 22 HD13 ILE 22 -6.010 -13.873 -5.632
184 H THR 23 H THR 23 -2.912 -9.418 -8.798
185 HA THR 23 HA THR 23 -2.689 -9.700 -11.747
186 HB THR 23 HB THR 23 -3.420 -7.508 -11.997
187 HG1 THR 23 HG1 THR 23 -3.860 -6.449 -9.796
188 HG21 THR 23 HG21 THR 23 -5.254 -9.051 -11.227
189 HG22 THR 23 HG22 THR 23 -5.014 -8.442 -9.572
190 HG23 THR 23 HG23 THR 23 -5.531 -7.339 -10.863
191 H ASN 24 H ASN 24 -0.591 -9.257 -9.179
192 HA ASN 24 HA ASN 24 1.500 -8.620 -8.887
193 HB2 ASN 24 HB2 ASN 24 1.834 -8.822 -11.895
194 HB3 ASN 24 HB3 ASN 24 3.139 -8.721 -10.705
195 HD21 ASN 24 HD21 ASN 24 1.439 -10.908 -12.544
196 HD22 ASN 24 HD22 ASN 24 1.745 -12.333 -11.546
197 H ALA 25 H ALA 25 -0.674 -6.495 -9.660
198 HA ALA 25 HA ALA 25 0.886 -4.150 -10.332
199 HB1 ALA 25 HB1 ALA 25 -1.806 -4.417 -8.930
200 HB2 ALA 25 HB2 ALA 25 -1.142 -2.941 -9.658
201 HB3 ALA 25 HB3 ALA 25 -1.554 -4.323 -10.689
202 H SER 26 H SER 26 1.406 -2.362 -8.924
203 HA SER 26 HA SER 26 1.530 -2.865 -6.014
204 HB2 SER 26 HB2 SER 26 3.867 -2.028 -5.897
205 HB3 SER 26 HB3 SER 26 3.694 -3.617 -6.623
206 HG SER 26 HG SER 26 3.991 -1.160 -8.043
207 H GLN 27 H GLN 27 1.525 -1.011 -4.721
208 HA GLN 27 HA GLN 27 1.656 1.671 -5.974
209 HB2 GLN 27 HB2 GLN 27 -0.778 0.600 -4.485
210 HB3 GLN 27 HB3 GLN 27 -0.394 2.322 -4.628
211 HG2 GLN 27 HG2 GLN 27 -0.449 2.169 -7.072
212 HG3 GLN 27 HG3 GLN 27 -0.950 0.470 -6.956
213 HE21 GLN 27 HE21 GLN 27 -3.891 2.784 -5.335
214 HE22 GLN 27 HE22 GLN 27 -2.397 2.477 -4.444
215 H PHE 28 H PHE 28 2.410 3.260 -4.692
216 HA PHE 28 HA PHE 28 3.244 2.643 -1.953
217 HB2 PHE 28 HB2 PHE 28 3.641 5.030 -3.737
218 HB3 PHE 28 HB3 PHE 28 4.014 5.076 -2.012
219 HD1 PHE 28 HD1 PHE 28 5.824 3.750 -1.022
220 HD2 PHE 28 HD2 PHE 28 5.044 3.680 -5.266
221 HE1 PHE 28 HE1 PHE 28 8.073 2.773 -1.426
222 HE2 PHE 28 HE2 PHE 28 7.285 2.681 -5.660
223 HZ PHE 28 HZ PHE 28 8.805 2.233 -3.741
224 H GLU 29 H GLU 29 0.441 3.926 -3.342
225 HA GLU 29 HA GLU 29 -0.546 4.984 -0.736
226 HB2 GLU 29 HB2 GLU 29 -0.524 6.745 -2.323
227 HB3 GLU 29 HB3 GLU 29 -1.157 5.718 -3.597
228 HG2 GLU 29 HG2 GLU 29 -2.805 7.319 -2.942
229 HG3 GLU 29 HG3 GLU 29 -3.367 5.694 -2.597
230 H ARG 30 H ARG 30 -2.585 4.424 -0.022
231 HA ARG 30 HA ARG 30 -3.195 1.695 -0.169
232 HB2 ARG 30 HB2 ARG 30 -3.615 3.018 1.751
233 HB3 ARG 30 HB3 ARG 30 -4.772 4.044 0.917
234 HG2 ARG 30 HG2 ARG 30 -5.309 1.072 1.053
235 HG3 ARG 30 HG3 ARG 30 -5.507 2.031 2.526
236 HD2 ARG 30 HD2 ARG 30 -7.384 3.079 1.813
237 HD3 ARG 30 HD3 ARG 30 -6.789 3.277 0.172
238 HE ARG 30 HE ARG 30 -7.776 1.323 -0.500
239 HH11 ARG 30 HH11 ARG 30 -7.838 1.171 3.025
240 HH12 ARG 30 HH12 ARG 30 -8.866 -0.252 2.967
241 HH21 ARG 30 HH21 ARG 30 -9.188 -0.297 -0.418
242 HH22 ARG 30 HH22 ARG 30 -9.619 -1.013 1.138
243 HA PRO 31 HA PRO 31 -5.264 1.657 -4.079
244 HB2 PRO 31 HB2 PRO 31 -5.759 -1.010 -4.380
245 HB3 PRO 31 HB3 PRO 31 -4.101 -0.326 -4.368
246 HG2 PRO 31 HG2 PRO 31 -5.621 -1.538 -2.034
247 HG3 PRO 31 HG3 PRO 31 -3.965 -1.946 -2.593
248 HD2 PRO 31 HD2 PRO 31 -4.354 -0.215 -0.570
249 HD3 PRO 31 HD3 PRO 31 -3.087 0.082 -1.799
250 H SER 32 H SER 32 -7.231 1.523 -5.119
251 HA SER 32 HA SER 32 -9.662 0.975 -3.442
252 HB2 SER 32 HB2 SER 32 -9.237 3.084 -5.582
253 HB3 SER 32 HB3 SER 32 -10.793 2.705 -4.823
254 HG SER 32 HG SER 32 -8.446 3.591 -3.490
255 H GLY 33 H GLY 33 -8.005 -0.266 -6.079
256 HA2 GLY 33 HA2 GLY 33 -9.838 -2.260 -6.750
257 HA3 GLY 33 HA3 GLY 33 -10.169 -0.947 -7.881
258 H1 GAL 101 H1 GAL 34 12.096 1.883 0.668
259 H2 GAL 101 H2 GAL 34 13.768 4.156 -0.533
260 H3 GAL 101 H3 GAL 34 10.876 3.273 -1.017
261 H4 GAL 101 H4 GAL 34 11.606 2.560 -3.232
262 H5 GAL 101 H5 GAL 34 11.832 0.829 -1.548
263 H61 GAL 101 H61 GAL 34 12.733 0.036 -3.641
264 H62 GAL 101 H62 GAL 34 14.268 0.896 -3.384
265 HO2 GAL 101 H2O GAL 34 11.661 4.150 1.410
266 HO3 GAL 101 H3O GAL 34 11.441 5.577 -1.243
267 HO4 GAL 101 H4O GAL 34 13.288 4.220 -3.283
268 HO6 GAL 101 H6O GAL 34 14.355 -0.382 -1.352
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -10.956 -5.209 3.666
2 H2 LYS 1 H2 LYS 1 -12.030 -3.989 3.455
3 H3 LYS 1 H3 LYS 1 -11.573 -4.424 4.960
4 HA LYS 1 HA LYS 1 -10.534 -2.383 4.372
5 HB2 LYS 1 HB2 LYS 1 -8.179 -2.922 4.772
6 HB3 LYS 1 HB3 LYS 1 -9.279 -3.669 5.918
7 HG2 LYS 1 HG2 LYS 1 -8.986 -5.864 4.899
8 HG3 LYS 1 HG3 LYS 1 -8.038 -5.176 3.573
9 HD2 LYS 1 HD2 LYS 1 -6.316 -4.411 5.208
10 HD3 LYS 1 HD3 LYS 1 -7.215 -5.250 6.497
11 HE2 LYS 1 HE2 LYS 1 -6.978 -7.393 5.279
12 HE3 LYS 1 HE3 LYS 1 -6.181 -6.561 3.938
13 HZ1 LYS 1 HZ1 LYS 1 -4.544 -7.573 5.314
14 HZ2 LYS 1 HZ2 LYS 1 -4.377 -5.970 5.477
15 HZ3 LYS 1 HZ3 LYS 1 -5.089 -6.833 6.682
16 H LEU 2 H LEU 2 -9.373 -4.888 2.041
17 HA LEU 2 HA LEU 2 -8.673 -2.690 0.157
18 HB2 LEU 2 HB2 LEU 2 -7.178 -5.259 0.790
19 HB3 LEU 2 HB3 LEU 2 -6.723 -4.107 -0.472
20 HG LEU 2 HG LEU 2 -6.789 -3.364 2.479
21 HD11 LEU 2 HD11 LEU 2 -5.147 -5.152 2.073
22 HD12 LEU 2 HD12 LEU 2 -4.454 -4.218 0.727
23 HD13 LEU 2 HD13 LEU 2 -4.342 -3.605 2.394
24 HD21 LEU 2 HD21 LEU 2 -6.908 -1.464 0.831
25 HD22 LEU 2 HD22 LEU 2 -5.411 -1.483 1.768
26 HD23 LEU 2 HD23 LEU 2 -5.405 -2.075 0.097
27 HA PRO 3 HA PRO 3 -10.898 -4.937 -2.942
28 HB2 PRO 3 HB2 PRO 3 -8.893 -4.326 -5.040
29 HB3 PRO 3 HB3 PRO 3 -10.579 -3.759 -4.884
30 HG2 PRO 3 HG2 PRO 3 -8.428 -2.109 -4.459
31 HG3 PRO 3 HG3 PRO 3 -9.958 -1.947 -3.532
32 HD2 PRO 3 HD2 PRO 3 -7.414 -3.386 -2.738
33 HD3 PRO 3 HD3 PRO 3 -8.370 -2.207 -1.800
34 HA PRO 4 HA PRO 4 -9.576 -9.028 -3.669
35 HB2 PRO 4 HB2 PRO 4 -9.808 -8.695 -6.668
36 HB3 PRO 4 HB3 PRO 4 -10.417 -10.024 -5.626
37 HG2 PRO 4 HG2 PRO 4 -12.110 -8.083 -6.438
38 HG3 PRO 4 HG3 PRO 4 -12.138 -8.612 -4.721
39 HD2 PRO 4 HD2 PRO 4 -10.788 -6.177 -5.919
40 HD3 PRO 4 HD3 PRO 4 -11.789 -6.304 -4.437
41 H GLY 5 H GLY 5 -7.661 -9.926 -3.431
42 HA2 GLY 5 HA2 GLY 5 -5.536 -10.707 -3.911
43 HA3 GLY 5 HA3 GLY 5 -5.489 -9.701 -5.373
44 H TRP 6 H TRP 6 -6.221 -7.388 -3.214
45 HA TRP 6 HA TRP 6 -3.441 -6.527 -3.004
46 HB2 TRP 6 HB2 TRP 6 -6.048 -5.245 -2.223
47 HB3 TRP 6 HB3 TRP 6 -4.470 -4.512 -1.922
48 HD1 TRP 6 HD1 TRP 6 -6.915 -5.265 -4.711
49 HE1 TRP 6 HE1 TRP 6 -6.287 -3.938 -6.822
50 HE3 TRP 6 HE3 TRP 6 -2.290 -3.654 -3.259
51 HZ2 TRP 6 HZ2 TRP 6 -3.892 -2.753 -7.893
52 HZ3 TRP 6 HZ3 TRP 6 -0.811 -2.476 -4.885
53 HH2 TRP 6 HH2 TRP 6 -1.595 -2.020 -7.195
54 H GLU 7 H GLU 7 -2.155 -6.269 -1.315
55 HA GLU 7 HA GLU 7 -3.137 -6.304 1.445
56 HB2 GLU 7 HB2 GLU 7 -1.550 -8.531 0.257
57 HB3 GLU 7 HB3 GLU 7 -0.843 -7.865 1.711
58 HG2 GLU 7 HG2 GLU 7 -3.660 -8.970 1.482
59 HG3 GLU 7 HG3 GLU 7 -2.270 -9.780 2.192
60 H LYS 8 H LYS 8 -1.444 -5.650 2.990
61 HA LYS 8 HA LYS 8 0.351 -3.555 1.879
62 HB2 LYS 8 HB2 LYS 8 -0.391 -4.377 4.697
63 HB3 LYS 8 HB3 LYS 8 0.994 -3.318 4.370
64 HG2 LYS 8 HG2 LYS 8 -0.381 -1.674 3.264
65 HG3 LYS 8 HG3 LYS 8 -1.776 -2.765 3.285
66 HD2 LYS 8 HD2 LYS 8 -2.135 -1.135 4.997
67 HD3 LYS 8 HD3 LYS 8 -1.755 -2.660 5.808
68 HE2 LYS 8 HE2 LYS 8 0.626 -1.868 6.083
69 HE3 LYS 8 HE3 LYS 8 0.182 -0.354 5.289
70 HZ1 LYS 8 HZ1 LYS 8 -1.385 0.066 7.107
71 HZ2 LYS 8 HZ2 LYS 8 -0.983 -1.340 7.839
72 HZ3 LYS 8 HZ3 LYS 8 0.118 -0.142 7.705
73 H ARG 9 H ARG 9 2.514 -3.549 1.934
74 HA ARG 9 HA ARG 9 4.032 -5.914 2.924
75 HB2 ARG 9 HB2 ARG 9 3.380 -6.457 0.615
76 HB3 ARG 9 HB3 ARG 9 4.116 -4.967 0.024
77 HG2 ARG 9 HG2 ARG 9 6.333 -5.741 0.560
78 HG3 ARG 9 HG3 ARG 9 5.706 -7.128 1.477
79 HD2 ARG 9 HD2 ARG 9 5.191 -6.717 -1.495
80 HD3 ARG 9 HD3 ARG 9 6.590 -7.611 -0.879
81 HE ARG 9 HE ARG 9 3.769 -8.462 -0.904
82 HH11 ARG 9 HH11 ARG 9 6.945 -9.226 0.386
83 HH12 ARG 9 HH12 ARG 9 6.506 -10.886 0.696
84 HH21 ARG 9 HH21 ARG 9 3.285 -10.575 -0.454
85 HH22 ARG 9 HH22 ARG 9 4.499 -11.617 0.235
86 H MET 10 H MET 10 6.211 -5.556 3.310
87 HA MET 10 HA MET 10 7.026 -2.699 3.491
88 HB2 MET 10 HB2 MET 10 6.695 -3.753 5.620
89 HB3 MET 10 HB3 MET 10 7.805 -5.065 5.206
90 HG2 MET 10 HG2 MET 10 9.682 -3.576 5.151
91 HG3 MET 10 HG3 MET 10 8.654 -2.147 5.295
92 HE1 MET 10 HE1 MET 10 6.653 -2.646 7.657
93 HE2 MET 10 HE2 MET 10 7.633 -2.067 9.016
94 HE3 MET 10 HE3 MET 10 7.684 -1.208 7.462
95 H PHE 11 H PHE 11 8.810 -1.937 2.589
96 HA PHE 11 HA PHE 11 10.507 -3.544 0.855
97 HB2 PHE 11 HB2 PHE 11 10.430 -0.640 1.634
98 HB3 PHE 11 HB3 PHE 11 11.766 -1.303 0.689
99 HD1 PHE 11 HD1 PHE 11 8.690 0.346 0.449
100 HD2 PHE 11 HD2 PHE 11 11.053 -2.703 -1.478
101 HE1 PHE 11 HE1 PHE 11 7.510 0.781 -1.682
102 HE2 PHE 11 HE2 PHE 11 9.859 -2.271 -3.615
103 HZ PHE 11 HZ PHE 11 8.092 -0.520 -3.724
104 H ALA 12 H ALA 12 12.900 -3.538 0.948
105 HA ALA 12 HA ALA 12 13.900 -4.573 3.389
106 HB1 ALA 12 HB1 ALA 12 16.076 -4.490 2.229
107 HB2 ALA 12 HB2 ALA 12 14.800 -5.080 1.148
108 HB3 ALA 12 HB3 ALA 12 15.392 -3.408 0.997
109 H ASN 13 H ASN 13 13.661 -1.242 2.395
110 HA ASN 13 HA ASN 13 15.530 -0.194 4.413
111 HB2 ASN 13 HB2 ASN 13 14.826 2.010 3.503
112 HB3 ASN 13 HB3 ASN 13 15.420 0.895 2.262
113 HD21 ASN 13 HD21 ASN 13 14.318 2.401 0.811
114 H GLY 14 H GLY 14 12.380 -1.367 4.667
115 HA2 GLY 14 HA2 GLY 14 11.085 -1.374 6.605
116 HA3 GLY 14 HA3 GLY 14 11.923 0.058 7.219
117 H THR 15 H THR 15 10.746 0.427 3.964
118 HA THR 15 HA THR 15 8.583 2.266 4.874
119 HB THR 15 HB THR 15 9.910 1.663 2.199
120 HG1 THR 15 HG1 THR 15 10.693 3.694 2.441
121 HG21 THR 15 HG21 THR 15 8.668 3.627 1.289
122 HG22 THR 15 HG22 THR 15 7.642 2.226 1.584
123 HG23 THR 15 HG23 THR 15 7.624 3.594 2.727
124 H VAL 16 H VAL 16 6.415 1.841 4.593
125 HA VAL 16 HA VAL 16 5.616 -0.829 3.547
126 HB VAL 16 HB VAL 16 4.007 1.209 5.117
127 HG11 VAL 16 HG11 VAL 16 2.420 -0.686 5.449
128 HG12 VAL 16 HG12 VAL 16 2.472 -0.139 3.776
129 HG13 VAL 16 HG13 VAL 16 3.317 -1.635 4.249
130 HG21 VAL 16 HG21 VAL 16 5.239 -1.448 5.956
131 HG22 VAL 16 HG22 VAL 16 5.739 0.166 6.520
132 HG23 VAL 16 HG23 VAL 16 4.137 -0.465 6.943
133 H TYR 17 H TYR 17 4.249 -1.143 1.897
134 HA TYR 17 HA TYR 17 2.953 1.077 0.429
135 HB2 TYR 17 HB2 TYR 17 3.982 0.508 -1.652
136 HB3 TYR 17 HB3 TYR 17 5.276 0.772 -0.519
137 HD1 TYR 17 HD1 TYR 17 6.420 -1.315 0.540
138 HD2 TYR 17 HD2 TYR 17 3.853 -1.491 -2.925
139 HE1 TYR 17 HE1 TYR 17 7.481 -3.461 -0.146
140 HE2 TYR 17 HE2 TYR 17 4.888 -3.651 -3.584
141 HH TYR 17 HH TYR 17 6.594 -5.115 -3.182
142 H TYR 18 H TYR 18 1.777 -0.145 -1.532
143 HA TYR 18 HA TYR 18 0.328 -2.496 -0.396
144 HB2 TYR 18 HB2 TYR 18 -0.630 -0.322 -2.280
145 HB3 TYR 18 HB3 TYR 18 -1.560 -1.744 -1.785
146 HD1 TYR 18 HD1 TYR 18 -2.415 -1.989 0.521
147 HD2 TYR 18 HD2 TYR 18 -0.250 1.530 -0.727
148 HE1 TYR 18 HE1 TYR 18 -3.197 -0.785 2.553
149 HE2 TYR 18 HE2 TYR 18 -1.031 2.732 1.317
150 HH TYR 18 HH TYR 18 -3.223 1.195 3.687
151 H PHE 19 H PHE 19 0.051 -4.325 -1.563
152 HA PHE 19 HA PHE 19 1.075 -4.447 -4.356
153 HB2 PHE 19 HB2 PHE 19 2.969 -4.931 -2.944
154 HB3 PHE 19 HB3 PHE 19 2.046 -6.132 -2.034
155 HD1 PHE 19 HD1 PHE 19 3.242 -5.262 -5.434
156 HD2 PHE 19 HD2 PHE 19 1.968 -8.458 -2.831
157 HE1 PHE 19 HE1 PHE 19 3.861 -6.887 -7.160
158 HE2 PHE 19 HE2 PHE 19 2.679 -10.113 -4.537
159 HZ PHE 19 HZ PHE 19 3.617 -9.349 -6.711
160 H ASN 20 H ASN 20 0.053 -5.796 -5.710
161 HA ASN 20 HA ASN 20 -2.193 -7.417 -4.622
162 HB2 ASN 20 HB2 ASN 20 -2.587 -5.641 -6.369
163 HB3 ASN 20 HB3 ASN 20 -1.668 -6.639 -7.506
164 HD21 ASN 20 HD21 ASN 20 -4.745 -5.902 -6.670
165 HD22 ASN 20 HD22 ASN 20 -5.532 -7.436 -6.982
166 H HIS 21 H HIS 21 -1.822 -9.532 -4.325
167 HA HIS 21 HA HIS 21 0.561 -10.801 -5.406
168 HB2 HIS 21 HB2 HIS 21 0.186 -12.458 -3.906
169 HB3 HIS 21 HB3 HIS 21 -0.661 -11.136 -3.106
170 HD2 HIS 21 HD2 HIS 21 -3.283 -11.438 -2.715
171 HE1 HIS 21 HE1 HIS 21 -3.702 -15.327 -4.408
172 HE2 HIS 21 HE2 HIS 21 -4.859 -13.525 -3.031
173 H ILE 22 H ILE 22 -2.710 -10.596 -6.552
174 HA ILE 22 HA ILE 22 -2.629 -13.021 -8.204
175 HB ILE 22 HB ILE 22 -4.636 -10.718 -8.104
176 HG12 ILE 22 HG12 ILE 22 -4.577 -13.378 -6.592
177 HG13 ILE 22 HG13 ILE 22 -4.461 -11.757 -5.895
178 HG21 ILE 22 HG21 ILE 22 -4.772 -12.059 -10.184
179 HG22 ILE 22 HG22 ILE 22 -4.912 -13.544 -9.217
180 HG23 ILE 22 HG23 ILE 22 -6.185 -12.301 -9.180
181 HD11 ILE 22 HD11 ILE 22 -6.921 -13.021 -7.137
182 HD12 ILE 22 HD12 ILE 22 -6.653 -12.533 -5.458
183 HD13 ILE 22 HD13 ILE 22 -6.799 -11.292 -6.720
184 H THR 23 H THR 23 -2.402 -9.509 -8.645
185 HA THR 23 HA THR 23 -1.935 -9.826 -11.558
186 HB THR 23 HB THR 23 -2.792 -7.688 -11.895
187 HG1 THR 23 HG1 THR 23 -3.464 -6.640 -9.753
188 HG21 THR 23 HG21 THR 23 -4.558 -9.364 -11.225
189 HG22 THR 23 HG22 THR 23 -4.489 -8.704 -9.575
190 HG23 THR 23 HG23 THR 23 -4.989 -7.670 -10.927
191 H ASN 24 H ASN 24 -0.061 -9.202 -8.859
192 HA ASN 24 HA ASN 24 1.955 -8.406 -8.432
193 HB2 ASN 24 HB2 ASN 24 2.523 -8.653 -11.402
194 HB3 ASN 24 HB3 ASN 24 3.725 -8.450 -10.121
195 HD21 ASN 24 HD21 ASN 24 2.265 -10.769 -12.023
196 HD22 ASN 24 HD22 ASN 24 2.596 -12.156 -10.980
197 H ALA 25 H ALA 25 -0.296 -6.463 -9.439
198 HA ALA 25 HA ALA 25 1.126 -4.039 -10.107
199 HB1 ALA 25 HB1 ALA 25 -1.609 -4.456 -8.826
200 HB2 ALA 25 HB2 ALA 25 -1.012 -2.954 -9.564
201 HB3 ALA 25 HB3 ALA 25 -1.274 -4.387 -10.573
202 H SER 26 H SER 26 1.569 -2.215 -8.761
203 HA SER 26 HA SER 26 1.542 -2.591 -5.833
204 HB2 SER 26 HB2 SER 26 3.859 -1.891 -5.576
205 HB3 SER 26 HB3 SER 26 3.727 -3.411 -6.468
206 HG SER 26 HG SER 26 5.212 -1.999 -7.450
207 H GLN 27 H GLN 27 1.554 -0.661 -4.618
208 HA GLN 27 HA GLN 27 1.708 1.962 -5.979
209 HB2 GLN 27 HB2 GLN 27 -0.794 0.964 -4.552
210 HB3 GLN 27 HB3 GLN 27 -0.414 2.675 -4.821
211 HG2 GLN 27 HG2 GLN 27 -0.420 2.384 -7.211
212 HG3 GLN 27 HG3 GLN 27 -0.840 0.662 -7.031
213 HE21 GLN 27 HE21 GLN 27 -2.464 2.680 -4.666
214 HE22 GLN 27 HE22 GLN 27 -3.959 2.846 -5.588
215 H PHE 28 H PHE 28 2.194 3.680 -4.689
216 HA PHE 28 HA PHE 28 2.920 3.179 -1.885
217 HB2 PHE 28 HB2 PHE 28 3.395 5.494 -3.742
218 HB3 PHE 28 HB3 PHE 28 3.654 5.619 -2.000
219 HD1 PHE 28 HD1 PHE 28 4.927 4.144 -5.121
220 HD2 PHE 28 HD2 PHE 28 5.388 4.311 -0.834
221 HE1 PHE 28 HE1 PHE 28 7.188 3.135 -5.323
222 HE2 PHE 28 HE2 PHE 28 7.653 3.316 -1.043
223 HZ PHE 28 HZ PHE 28 8.552 2.722 -3.287
224 H GLU 29 H GLU 29 0.191 4.333 -3.497
225 HA GLU 29 HA GLU 29 -1.042 5.391 -0.979
226 HB2 GLU 29 HB2 GLU 29 -0.876 7.053 -2.772
227 HB3 GLU 29 HB3 GLU 29 -1.706 5.961 -3.895
228 HG2 GLU 29 HG2 GLU 29 -3.760 6.093 -2.582
229 HG3 GLU 29 HG3 GLU 29 -2.937 7.015 -1.317
230 H ARG 30 H ARG 30 -3.263 4.619 -0.535
231 HA ARG 30 HA ARG 30 -3.351 1.833 -0.862
232 HB2 ARG 30 HB2 ARG 30 -5.375 1.772 0.320
233 HB3 ARG 30 HB3 ARG 30 -4.386 3.017 1.036
234 HG2 ARG 30 HG2 ARG 30 -5.836 4.697 0.529
235 HG3 ARG 30 HG3 ARG 30 -6.318 4.025 -1.034
236 HD2 ARG 30 HD2 ARG 30 -7.233 2.996 1.664
237 HD3 ARG 30 HD3 ARG 30 -8.175 4.034 0.586
238 HE ARG 30 HE ARG 30 -7.748 1.993 -1.112
239 HH11 ARG 30 HH11 ARG 30 -8.625 1.653 2.296
240 HH12 ARG 30 HH12 ARG 30 -9.343 0.082 1.984
241 HH21 ARG 30 HH21 ARG 30 -8.811 0.174 -1.385
242 HH22 ARG 30 HH22 ARG 30 -9.597 -0.638 -0.027
243 HA PRO 31 HA PRO 31 -5.254 1.114 -4.768
244 HB2 PRO 31 HB2 PRO 31 -6.164 -1.440 -4.475
245 HB3 PRO 31 HB3 PRO 31 -4.417 -1.020 -4.535
246 HG2 PRO 31 HG2 PRO 31 -6.163 -1.447 -2.083
247 HG3 PRO 31 HG3 PRO 31 -4.567 -2.191 -2.434
248 HD2 PRO 31 HD2 PRO 31 -4.779 -0.007 -0.870
249 HD3 PRO 31 HD3 PRO 31 -3.436 -0.169 -2.047
250 H SER 32 H SER 32 -7.201 0.796 -5.902
251 HA SER 32 HA SER 32 -9.763 0.899 -4.360
252 HB2 SER 32 HB2 SER 32 -10.587 2.551 -5.968
253 HB3 SER 32 HB3 SER 32 -9.153 3.136 -5.107
254 HG SER 32 HG SER 32 -9.033 3.531 -7.362
255 H GLY 33 H GLY 33 -8.068 -0.799 -6.773
256 HA2 GLY 33 HA2 GLY 33 -9.972 -2.775 -7.214
257 HA3 GLY 33 HA3 GLY 33 -10.248 -1.606 -8.507
258 H1 GAL 101 H1 GAL 34 11.441 1.659 0.480
259 H2 GAL 101 H2 GAL 34 12.971 4.134 -0.477
260 H3 GAL 101 H3 GAL 34 10.102 3.335 -1.164
261 H4 GAL 101 H4 GAL 34 10.891 2.928 -3.468
262 H5 GAL 101 H5 GAL 34 10.901 1.037 -1.873
263 H61 GAL 101 H61 GAL 34 12.479 -0.502 -2.948
264 H62 GAL 101 H62 GAL 34 11.612 0.473 -4.151
265 HO2 GAL 101 H2O GAL 34 11.194 5.178 0.599
266 HO3 GAL 101 H3O GAL 34 11.708 5.279 -2.453
267 HO4 GAL 101 H4O GAL 34 13.376 2.752 -3.481
268 HO6 GAL 101 H6O GAL 34 13.943 0.310 -4.488
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -11.996 -5.985 3.326
2 H2 LYS 1 H2 LYS 1 -12.038 -4.519 4.046
3 H3 LYS 1 H3 LYS 1 -11.741 -5.858 4.941
4 HA LYS 1 HA LYS 1 -9.720 -4.623 4.607
5 HB2 LYS 1 HB2 LYS 1 -8.303 -6.423 3.813
6 HB3 LYS 1 HB3 LYS 1 -9.546 -7.058 4.856
7 HG2 LYS 1 HG2 LYS 1 -10.715 -8.110 3.105
8 HG3 LYS 1 HG3 LYS 1 -9.957 -7.151 1.846
9 HD2 LYS 1 HD2 LYS 1 -8.465 -9.161 3.574
10 HD3 LYS 1 HD3 LYS 1 -9.169 -9.555 2.013
11 HE2 LYS 1 HE2 LYS 1 -7.029 -7.409 2.409
12 HE3 LYS 1 HE3 LYS 1 -6.686 -9.086 2.002
13 HZ1 LYS 1 HZ1 LYS 1 -8.319 -7.272 0.298
14 HZ2 LYS 1 HZ2 LYS 1 -6.750 -7.687 0.033
15 HZ3 LYS 1 HZ3 LYS 1 -7.926 -8.822 -0.045
16 H LEU 2 H LEU 2 -7.893 -4.905 2.614
17 HA LEU 2 HA LEU 2 -8.396 -2.923 0.643
18 HB2 LEU 2 HB2 LEU 2 -6.430 -5.236 0.867
19 HB3 LEU 2 HB3 LEU 2 -6.307 -4.012 -0.401
20 HG LEU 2 HG LEU 2 -6.296 -3.204 2.526
21 HD11 LEU 2 HD11 LEU 2 -4.517 -4.856 2.226
22 HD12 LEU 2 HD12 LEU 2 -3.936 -3.997 0.777
23 HD13 LEU 2 HD13 LEU 2 -3.836 -3.228 2.382
24 HD21 LEU 2 HD21 LEU 2 -5.089 -1.961 0.025
25 HD22 LEU 2 HD22 LEU 2 -6.635 -1.452 0.744
26 HD23 LEU 2 HD23 LEU 2 -5.128 -1.247 1.651
27 HA PRO 3 HA PRO 3 -10.657 -4.900 -2.524
28 HB2 PRO 3 HB2 PRO 3 -8.848 -4.038 -4.721
29 HB3 PRO 3 HB3 PRO 3 -10.546 -3.589 -4.397
30 HG2 PRO 3 HG2 PRO 3 -8.453 -1.867 -3.982
31 HG3 PRO 3 HG3 PRO 3 -9.924 -1.862 -2.945
32 HD2 PRO 3 HD2 PRO 3 -7.240 -3.148 -2.436
33 HD3 PRO 3 HD3 PRO 3 -8.247 -2.183 -1.321
34 HA PRO 4 HA PRO 4 -9.602 -8.884 -3.753
35 HB2 PRO 4 HB2 PRO 4 -9.869 -8.248 -6.702
36 HB3 PRO 4 HB3 PRO 4 -10.502 -9.659 -5.789
37 HG2 PRO 4 HG2 PRO 4 -12.143 -7.587 -6.328
38 HG3 PRO 4 HG3 PRO 4 -12.130 -8.285 -4.672
39 HD2 PRO 4 HD2 PRO 4 -10.741 -5.789 -5.677
40 HD3 PRO 4 HD3 PRO 4 -11.672 -6.037 -4.167
41 H GLY 5 H GLY 5 -7.715 -9.774 -3.472
42 HA2 GLY 5 HA2 GLY 5 -5.600 -10.581 -3.839
43 HA3 GLY 5 HA3 GLY 5 -5.537 -9.733 -5.391
44 H TRP 6 H TRP 6 -6.208 -7.190 -3.426
45 HA TRP 6 HA TRP 6 -3.406 -6.396 -3.164
46 HB2 TRP 6 HB2 TRP 6 -5.974 -5.029 -2.391
47 HB3 TRP 6 HB3 TRP 6 -4.372 -4.361 -2.080
48 HD1 TRP 6 HD1 TRP 6 -6.874 -4.896 -4.850
49 HE1 TRP 6 HE1 TRP 6 -6.213 -3.505 -6.902
50 HE3 TRP 6 HE3 TRP 6 -2.138 -3.607 -3.431
51 HZ2 TRP 6 HZ2 TRP 6 -3.818 -2.240 -7.921
52 HZ3 TRP 6 HZ3 TRP 6 -0.661 -2.345 -4.995
53 HH2 TRP 6 HH2 TRP 6 -1.486 -1.662 -7.228
54 H GLU 7 H GLU 7 -2.139 -6.344 -1.465
55 HA GLU 7 HA GLU 7 -3.138 -6.557 1.312
56 HB2 GLU 7 HB2 GLU 7 -1.078 -8.419 0.049
57 HB3 GLU 7 HB3 GLU 7 -1.296 -8.195 1.795
58 HG2 GLU 7 HG2 GLU 7 -3.708 -8.897 1.505
59 HG3 GLU 7 HG3 GLU 7 -3.322 -9.333 -0.167
60 H LYS 8 H LYS 8 -1.491 -5.869 2.899
61 HA LYS 8 HA LYS 8 0.299 -3.762 1.910
62 HB2 LYS 8 HB2 LYS 8 -0.346 -4.808 4.672
63 HB3 LYS 8 HB3 LYS 8 1.041 -3.745 4.389
64 HG2 LYS 8 HG2 LYS 8 -0.383 -2.028 3.383
65 HG3 LYS 8 HG3 LYS 8 -1.795 -3.090 3.537
66 HD2 LYS 8 HD2 LYS 8 -1.907 -1.486 5.308
67 HD3 LYS 8 HD3 LYS 8 -1.495 -3.045 6.038
68 HE2 LYS 8 HE2 LYS 8 0.921 -2.345 6.084
69 HE3 LYS 8 HE3 LYS 8 0.464 -0.801 5.358
70 HZ1 LYS 8 HZ1 LYS 8 0.652 -0.628 7.773
71 HZ2 LYS 8 HZ2 LYS 8 -0.893 -0.347 7.327
72 HZ3 LYS 8 HZ3 LYS 8 -0.482 -1.780 7.997
73 H ARG 9 H ARG 9 2.419 -3.642 1.942
74 HA ARG 9 HA ARG 9 4.150 -6.008 2.434
75 HB2 ARG 9 HB2 ARG 9 3.194 -6.062 0.084
76 HB3 ARG 9 HB3 ARG 9 4.052 -4.557 -0.252
77 HG2 ARG 9 HG2 ARG 9 6.203 -5.673 0.020
78 HG3 ARG 9 HG3 ARG 9 5.413 -7.141 0.654
79 HD2 ARG 9 HD2 ARG 9 4.305 -7.519 -1.503
80 HD3 ARG 9 HD3 ARG 9 4.965 -6.000 -2.131
81 HE ARG 9 HE ARG 9 7.084 -6.922 -2.343
82 HH11 ARG 9 HH11 ARG 9 7.933 -10.245 -2.494
83 HH12 ARG 9 HH12 ARG 9 8.412 -8.610 -2.859
84 HH21 ARG 9 HH21 ARG 9 4.952 -9.392 -1.037
85 HH22 ARG 9 HH22 ARG 9 6.032 -10.681 -1.501
86 H MET 10 H MET 10 6.546 -5.327 2.135
87 HA MET 10 HA MET 10 7.037 -2.479 2.701
88 HB2 MET 10 HB2 MET 10 6.242 -3.533 4.861
89 HB3 MET 10 HB3 MET 10 7.639 -4.610 4.786
90 HG2 MET 10 HG2 MET 10 9.112 -2.526 4.788
91 HG3 MET 10 HG3 MET 10 7.642 -1.581 5.009
92 HE1 MET 10 HE1 MET 10 9.035 -4.985 6.634
93 HE2 MET 10 HE2 MET 10 10.365 -3.806 6.556
94 HE3 MET 10 HE3 MET 10 9.698 -4.295 8.129
95 H PHE 11 H PHE 11 8.998 -1.816 2.243
96 HA PHE 11 HA PHE 11 10.944 -3.513 0.933
97 HB2 PHE 11 HB2 PHE 11 10.883 -0.583 1.664
98 HB3 PHE 11 HB3 PHE 11 12.236 -1.340 0.821
99 HD1 PHE 11 HD1 PHE 11 9.031 0.239 0.401
100 HD2 PHE 11 HD2 PHE 11 11.758 -2.568 -1.419
101 HE1 PHE 11 HE1 PHE 11 7.980 0.650 -1.781
102 HE2 PHE 11 HE2 PHE 11 10.667 -2.179 -3.620
103 HZ PHE 11 HZ PHE 11 8.787 -0.558 -3.812
104 H ALA 12 H ALA 12 13.240 -3.617 1.433
105 HA ALA 12 HA ALA 12 13.793 -4.537 4.060
106 HB1 ALA 12 HB1 ALA 12 15.692 -3.639 1.845
107 HB2 ALA 12 HB2 ALA 12 16.116 -4.660 3.236
108 HB3 ALA 12 HB3 ALA 12 14.977 -5.261 2.019
109 H ASN 13 H ASN 13 13.924 -1.277 2.811
110 HA ASN 13 HA ASN 13 15.549 -0.202 5.007
111 HB2 ASN 13 HB2 ASN 13 15.178 1.955 3.919
112 HB3 ASN 13 HB3 ASN 13 15.714 0.736 2.753
113 HD21 ASN 13 HD21 ASN 13 14.867 2.379 1.228
114 H GLY 14 H GLY 14 12.383 -1.281 4.980
115 HA2 GLY 14 HA2 GLY 14 10.864 -1.140 6.739
116 HA3 GLY 14 HA3 GLY 14 11.677 0.301 7.373
117 H THR 15 H THR 15 10.796 0.370 3.975
118 HA THR 15 HA THR 15 8.693 2.402 4.510
119 HB THR 15 HB THR 15 10.005 1.472 1.933
120 HG1 THR 15 HG1 THR 15 11.419 2.472 3.209
121 HG21 THR 15 HG21 THR 15 7.877 2.420 1.360
122 HG22 THR 15 HG22 THR 15 8.133 3.795 2.469
123 HG23 THR 15 HG23 THR 15 9.128 3.613 1.003
124 H VAL 16 H VAL 16 6.563 1.941 4.361
125 HA VAL 16 HA VAL 16 5.697 -0.774 3.505
126 HB VAL 16 HB VAL 16 4.374 1.476 5.064
127 HG11 VAL 16 HG11 VAL 16 2.559 0.433 3.787
128 HG12 VAL 16 HG12 VAL 16 3.119 -1.187 4.272
129 HG13 VAL 16 HG13 VAL 16 2.478 -0.047 5.478
130 HG21 VAL 16 HG21 VAL 16 6.010 0.075 6.306
131 HG22 VAL 16 HG22 VAL 16 4.355 -0.186 6.885
132 HG23 VAL 16 HG23 VAL 16 5.113 -1.385 5.823
133 H TYR 17 H TYR 17 4.239 -1.163 1.923
134 HA TYR 17 HA TYR 17 2.943 0.982 0.388
135 HB2 TYR 17 HB2 TYR 17 3.872 0.329 -1.738
136 HB3 TYR 17 HB3 TYR 17 5.171 0.779 -0.668
137 HD1 TYR 17 HD1 TYR 17 6.593 -1.052 0.431
138 HD2 TYR 17 HD2 TYR 17 3.892 -1.789 -2.860
139 HE1 TYR 17 HE1 TYR 17 7.938 -3.029 -0.242
140 HE2 TYR 17 HE2 TYR 17 5.219 -3.795 -3.493
141 HH TYR 17 HH TYR 17 8.315 -4.547 -1.896
142 H TYR 18 H TYR 18 1.745 -0.238 -1.543
143 HA TYR 18 HA TYR 18 0.329 -2.604 -0.394
144 HB2 TYR 18 HB2 TYR 18 -0.708 -0.435 -2.248
145 HB3 TYR 18 HB3 TYR 18 -1.612 -1.844 -1.677
146 HD1 TYR 18 HD1 TYR 18 -2.279 -2.057 0.713
147 HD2 TYR 18 HD2 TYR 18 -0.303 1.471 -0.786
148 HE1 TYR 18 HE1 TYR 18 -2.926 -0.808 2.778
149 HE2 TYR 18 HE2 TYR 18 -0.930 2.709 1.278
150 HH TYR 18 HH TYR 18 -1.980 2.596 3.303
151 H PHE 19 H PHE 19 0.076 -4.400 -1.595
152 HA PHE 19 HA PHE 19 1.069 -4.467 -4.399
153 HB2 PHE 19 HB2 PHE 19 3.015 -4.886 -3.107
154 HB3 PHE 19 HB3 PHE 19 2.168 -6.072 -2.100
155 HD1 PHE 19 HD1 PHE 19 3.181 -5.337 -5.593
156 HD2 PHE 19 HD2 PHE 19 2.109 -8.408 -2.767
157 HE1 PHE 19 HE1 PHE 19 3.712 -7.036 -7.272
158 HE2 PHE 19 HE2 PHE 19 2.715 -10.143 -4.439
159 HZ PHE 19 HZ PHE 19 3.509 -9.477 -6.703
160 H ASN 20 H ASN 20 0.036 -5.778 -5.756
161 HA ASN 20 HA ASN 20 -2.177 -7.410 -4.642
162 HB2 ASN 20 HB2 ASN 20 -2.582 -5.592 -6.358
163 HB3 ASN 20 HB3 ASN 20 -1.737 -6.618 -7.531
164 HD21 ASN 20 HD21 ASN 20 -5.592 -7.336 -6.793
165 HD22 ASN 20 HD22 ASN 20 -4.765 -5.803 -6.553
166 H HIS 21 H HIS 21 -1.710 -9.507 -4.285
167 HA HIS 21 HA HIS 21 0.600 -10.750 -5.562
168 HB2 HIS 21 HB2 HIS 21 0.438 -12.391 -4.004
169 HB3 HIS 21 HB3 HIS 21 -0.309 -11.051 -3.135
170 HD2 HIS 21 HD2 HIS 21 -3.100 -11.200 -2.894
171 HE1 HIS 21 HE1 HIS 21 -3.315 -15.388 -3.648
172 HE2 HIS 21 HE2 HIS 21 -4.577 -13.371 -2.743
173 H ILE 22 H ILE 22 -2.698 -10.559 -6.468
174 HA ILE 22 HA ILE 22 -2.786 -13.033 -8.058
175 HB ILE 22 HB ILE 22 -4.680 -10.654 -7.886
176 HG12 ILE 22 HG12 ILE 22 -4.404 -11.801 -5.676
177 HG13 ILE 22 HG13 ILE 22 -6.033 -11.860 -6.325
178 HG21 ILE 22 HG21 ILE 22 -5.120 -11.806 -9.925
179 HG22 ILE 22 HG22 ILE 22 -5.066 -13.391 -9.128
180 HG23 ILE 22 HG23 ILE 22 -6.385 -12.249 -8.776
181 HD11 ILE 22 HD11 ILE 22 -5.703 -14.213 -7.009
182 HD12 ILE 22 HD12 ILE 22 -4.029 -14.151 -6.399
183 HD13 ILE 22 HD13 ILE 22 -5.402 -13.969 -5.286
184 H THR 23 H THR 23 -2.467 -9.538 -8.584
185 HA THR 23 HA THR 23 -2.104 -9.935 -11.505
186 HB THR 23 HB THR 23 -2.954 -7.798 -11.874
187 HG1 THR 23 HG1 THR 23 -3.560 -6.668 -9.770
188 HG21 THR 23 HG21 THR 23 -4.598 -8.743 -9.490
189 HG22 THR 23 HG22 THR 23 -5.125 -7.735 -10.852
190 HG23 THR 23 HG23 THR 23 -4.715 -9.438 -11.124
191 H ASN 24 H ASN 24 -0.151 -9.258 -8.879
192 HA ASN 24 HA ASN 24 1.878 -8.473 -8.522
193 HB2 ASN 24 HB2 ASN 24 2.358 -8.766 -11.503
194 HB3 ASN 24 HB3 ASN 24 3.601 -8.519 -10.269
195 HD21 ASN 24 HD21 ASN 24 2.244 -10.900 -12.101
196 HD22 ASN 24 HD22 ASN 24 2.573 -12.255 -11.018
197 H ALA 25 H ALA 25 -0.397 -6.530 -9.451
198 HA ALA 25 HA ALA 25 1.013 -4.111 -10.169
199 HB1 ALA 25 HB1 ALA 25 -1.409 -4.448 -10.541
200 HB2 ALA 25 HB2 ALA 25 -1.674 -4.495 -8.783
201 HB3 ALA 25 HB3 ALA 25 -1.092 -3.009 -9.555
202 H SER 26 H SER 26 1.499 -2.287 -8.839
203 HA SER 26 HA SER 26 1.613 -2.656 -5.905
204 HB2 SER 26 HB2 SER 26 3.954 -1.861 -5.817
205 HB3 SER 26 HB3 SER 26 3.771 -3.458 -6.539
206 HG SER 26 HG SER 26 4.061 -1.014 -7.983
207 H GLN 27 H GLN 27 1.556 -0.754 -4.704
208 HA GLN 27 HA GLN 27 1.778 1.876 -6.002
209 HB2 GLN 27 HB2 GLN 27 -0.825 0.591 -5.445
210 HB3 GLN 27 HB3 GLN 27 -0.655 2.104 -4.582
211 HG2 GLN 27 HG2 GLN 27 -0.256 1.806 -7.576
212 HG3 GLN 27 HG3 GLN 27 -1.734 2.348 -6.788
213 HE21 GLN 27 HE21 GLN 27 -0.800 4.083 -8.605
214 HE22 GLN 27 HE22 GLN 27 -0.012 5.448 -7.805
215 H PHE 28 H PHE 28 2.066 3.585 -4.609
216 HA PHE 28 HA PHE 28 2.735 2.941 -1.801
217 HB2 PHE 28 HB2 PHE 28 3.210 5.387 -3.499
218 HB3 PHE 28 HB3 PHE 28 3.445 5.367 -1.748
219 HD1 PHE 28 HD1 PHE 28 5.167 3.894 -0.680
220 HD2 PHE 28 HD2 PHE 28 4.834 4.314 -4.963
221 HE1 PHE 28 HE1 PHE 28 7.464 2.998 -0.954
222 HE2 PHE 28 HE2 PHE 28 7.131 3.407 -5.229
223 HZ PHE 28 HZ PHE 28 8.453 2.755 -3.225
224 H GLU 29 H GLU 29 0.216 4.507 -3.605
225 HA GLU 29 HA GLU 29 -1.150 5.563 -1.213
226 HB2 GLU 29 HB2 GLU 29 -1.254 6.931 -3.166
227 HB3 GLU 29 HB3 GLU 29 -1.690 5.570 -4.187
228 HG2 GLU 29 HG2 GLU 29 -3.549 7.060 -3.939
229 HG3 GLU 29 HG3 GLU 29 -3.925 5.482 -3.276
230 H ARG 30 H ARG 30 -3.151 4.807 -0.431
231 HA ARG 30 HA ARG 30 -3.497 1.965 -0.418
232 HB2 ARG 30 HB2 ARG 30 -4.084 3.297 1.478
233 HB3 ARG 30 HB3 ARG 30 -5.301 4.197 0.579
234 HG2 ARG 30 HG2 ARG 30 -5.555 1.189 0.728
235 HG3 ARG 30 HG3 ARG 30 -5.906 2.126 2.187
236 HD2 ARG 30 HD2 ARG 30 -7.792 3.126 1.321
237 HD3 ARG 30 HD3 ARG 30 -7.208 3.085 -0.330
238 HE ARG 30 HE ARG 30 -7.996 0.947 -0.667
239 HH11 ARG 30 HH11 ARG 30 -8.544 1.694 2.722
240 HH12 ARG 30 HH12 ARG 30 -9.758 0.450 2.874
241 HH21 ARG 30 HH21 ARG 30 -9.561 -0.524 -0.420
242 HH22 ARG 30 HH22 ARG 30 -10.301 -0.799 1.136
243 HA PRO 31 HA PRO 31 -5.553 1.739 -4.367
244 HB2 PRO 31 HB2 PRO 31 -6.122 -0.945 -4.492
245 HB3 PRO 31 HB3 PRO 31 -4.468 -0.274 -4.650
246 HG2 PRO 31 HG2 PRO 31 -5.795 -1.363 -2.145
247 HG3 PRO 31 HG3 PRO 31 -4.183 -1.789 -2.806
248 HD2 PRO 31 HD2 PRO 31 -4.410 0.029 -0.847
249 HD3 PRO 31 HD3 PRO 31 -3.272 0.302 -2.201
250 H SER 32 H SER 32 -7.561 2.268 -4.979
251 HA SER 32 HA SER 32 -9.837 1.936 -3.153
252 HB2 SER 32 HB2 SER 32 -10.974 3.438 -4.738
253 HB3 SER 32 HB3 SER 32 -9.431 4.093 -4.167
254 HG SER 32 HG SER 32 -9.695 4.316 -6.436
255 H GLY 33 H GLY 33 -8.674 0.263 -5.956
256 HA2 GLY 33 HA2 GLY 33 -10.569 -1.827 -5.925
257 HA3 GLY 33 HA3 GLY 33 -11.135 -0.653 -7.110
258 H1 GAL 101 H1 GAL 34 11.936 2.011 0.779
259 H2 GAL 101 H2 GAL 34 13.755 4.277 -0.198
260 H3 GAL 101 H3 GAL 34 10.767 3.798 -0.643
261 H4 GAL 101 H4 GAL 34 11.312 3.363 -2.982
262 H5 GAL 101 H5 GAL 34 11.348 1.409 -1.521
263 H61 GAL 101 H61 GAL 34 12.756 -0.159 -2.737
264 H62 GAL 101 H62 GAL 34 12.031 0.992 -3.878
265 HO2 GAL 101 H2O GAL 34 11.713 4.146 1.813
266 HO3 GAL 101 H3O GAL 34 11.595 6.026 -0.563
267 HO4 GAL 101 H4O GAL 34 13.207 4.773 -2.882
268 HO6 GAL 101 H6O GAL 34 14.097 2.225 -3.381
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -11.457 -3.035 4.342
2 H2 LYS 1 H2 LYS 1 -11.446 -4.309 5.365
3 H3 LYS 1 H3 LYS 1 -11.641 -4.557 3.761
4 HA LYS 1 HA LYS 1 -9.235 -3.476 5.061
5 HB2 LYS 1 HB2 LYS 1 -9.486 -5.821 5.601
6 HB3 LYS 1 HB3 LYS 1 -9.739 -6.240 3.916
7 HG2 LYS 1 HG2 LYS 1 -7.550 -6.914 4.581
8 HG3 LYS 1 HG3 LYS 1 -7.383 -5.631 3.399
9 HD2 LYS 1 HD2 LYS 1 -7.013 -4.009 5.337
10 HD3 LYS 1 HD3 LYS 1 -6.982 -5.410 6.416
11 HE2 LYS 1 HE2 LYS 1 -5.121 -4.884 4.055
12 HE3 LYS 1 HE3 LYS 1 -4.703 -4.656 5.750
13 HZ1 LYS 1 HZ1 LYS 1 -4.839 -7.013 6.097
14 HZ2 LYS 1 HZ2 LYS 1 -5.467 -7.287 4.609
15 HZ3 LYS 1 HZ3 LYS 1 -3.928 -6.800 4.743
16 H LEU 2 H LEU 2 -9.341 -5.283 2.009
17 HA LEU 2 HA LEU 2 -8.552 -2.874 0.473
18 HB2 LEU 2 HB2 LEU 2 -6.969 -5.440 0.901
19 HB3 LEU 2 HB3 LEU 2 -6.634 -4.317 -0.418
20 HG LEU 2 HG LEU 2 -6.468 -3.504 2.502
21 HD11 LEU 2 HD11 LEU 2 -4.044 -3.678 2.227
22 HD12 LEU 2 HD12 LEU 2 -4.814 -5.252 1.943
23 HD13 LEU 2 HD13 LEU 2 -4.252 -4.279 0.567
24 HD21 LEU 2 HD21 LEU 2 -5.211 -1.597 1.606
25 HD22 LEU 2 HD22 LEU 2 -5.416 -2.212 -0.048
26 HD23 LEU 2 HD23 LEU 2 -6.819 -1.642 0.886
27 HA PRO 3 HA PRO 3 -10.802 -4.776 -2.823
28 HB2 PRO 3 HB2 PRO 3 -8.811 -4.022 -4.882
29 HB3 PRO 3 HB3 PRO 3 -10.482 -3.435 -4.649
30 HG2 PRO 3 HG2 PRO 3 -8.269 -1.886 -4.115
31 HG3 PRO 3 HG3 PRO 3 -9.803 -1.746 -3.189
32 HD2 PRO 3 HD2 PRO 3 -7.293 -3.268 -2.472
33 HD3 PRO 3 HD3 PRO 3 -8.278 -2.172 -1.459
34 HA PRO 4 HA PRO 4 -9.659 -8.806 -3.883
35 HB2 PRO 4 HB2 PRO 4 -9.780 -8.231 -6.853
36 HB3 PRO 4 HB3 PRO 4 -10.472 -9.613 -5.939
37 HG2 PRO 4 HG2 PRO 4 -12.061 -7.542 -6.621
38 HG3 PRO 4 HG3 PRO 4 -12.150 -8.202 -4.952
39 HD2 PRO 4 HD2 PRO 4 -10.678 -5.741 -5.929
40 HD3 PRO 4 HD3 PRO 4 -11.705 -5.945 -4.475
41 H GLY 5 H GLY 5 -7.796 -9.742 -3.555
42 HA2 GLY 5 HA2 GLY 5 -5.698 -10.607 -3.893
43 HA3 GLY 5 HA3 GLY 5 -5.579 -9.734 -5.429
44 H TRP 6 H TRP 6 -6.224 -7.264 -3.327
45 HA TRP 6 HA TRP 6 -3.414 -6.488 -3.120
46 HB2 TRP 6 HB2 TRP 6 -5.980 -5.163 -2.293
47 HB3 TRP 6 HB3 TRP 6 -4.387 -4.467 -1.976
48 HD1 TRP 6 HD1 TRP 6 -6.892 -5.054 -4.737
49 HE1 TRP 6 HE1 TRP 6 -6.266 -3.680 -6.816
50 HE3 TRP 6 HE3 TRP 6 -2.175 -3.679 -3.354
51 HZ2 TRP 6 HZ2 TRP 6 -3.853 -2.547 -7.908
52 HZ3 TRP 6 HZ3 TRP 6 -0.690 -2.505 -4.975
53 HH2 TRP 6 HH2 TRP 6 -1.509 -1.940 -7.249
54 H GLU 7 H GLU 7 -2.109 -6.344 -1.404
55 HA GLU 7 HA GLU 7 -3.088 -6.544 1.349
56 HB2 GLU 7 HB2 GLU 7 -2.825 -8.876 0.807
57 HB3 GLU 7 HB3 GLU 7 -1.263 -8.590 0.070
58 HG2 GLU 7 HG2 GLU 7 -1.087 -9.777 2.173
59 HG3 GLU 7 HG3 GLU 7 -0.200 -8.271 2.180
60 H LYS 8 H LYS 8 -1.524 -5.823 2.922
61 HA LYS 8 HA LYS 8 0.321 -3.781 1.925
62 HB2 LYS 8 HB2 LYS 8 -0.371 -4.775 4.697
63 HB3 LYS 8 HB3 LYS 8 1.006 -3.695 4.419
64 HG2 LYS 8 HG2 LYS 8 -0.430 -2.033 3.332
65 HG3 LYS 8 HG3 LYS 8 -1.827 -3.113 3.501
66 HD2 LYS 8 HD2 LYS 8 -1.987 -1.458 5.223
67 HD3 LYS 8 HD3 LYS 8 -1.549 -2.984 6.008
68 HE2 LYS 8 HE2 LYS 8 0.854 -2.230 6.049
69 HE3 LYS 8 HE3 LYS 8 0.371 -0.722 5.268
70 HZ1 LYS 8 HZ1 LYS 8 0.536 -0.465 7.677
71 HZ2 LYS 8 HZ2 LYS 8 -1.011 -0.232 7.210
72 HZ3 LYS 8 HZ3 LYS 8 -0.576 -1.633 7.933
73 H ARG 9 H ARG 9 2.435 -3.628 2.005
74 HA ARG 9 HA ARG 9 4.183 -5.980 2.524
75 HB2 ARG 9 HB2 ARG 9 3.190 -6.020 0.168
76 HB3 ARG 9 HB3 ARG 9 4.099 -4.547 -0.172
77 HG2 ARG 9 HG2 ARG 9 6.210 -5.737 0.110
78 HG3 ARG 9 HG3 ARG 9 5.368 -7.168 0.760
79 HD2 ARG 9 HD2 ARG 9 4.239 -7.526 -1.394
80 HD3 ARG 9 HD3 ARG 9 4.971 -6.049 -2.042
81 HE ARG 9 HE ARG 9 7.045 -7.077 -2.238
82 HH11 ARG 9 HH11 ARG 9 8.297 -8.837 -2.704
83 HH12 ARG 9 HH12 ARG 9 7.744 -10.438 -2.296
84 HH21 ARG 9 HH21 ARG 9 4.803 -9.414 -0.869
85 HH22 ARG 9 HH22 ARG 9 5.824 -10.760 -1.298
86 H MET 10 H MET 10 6.575 -5.296 2.202
87 HA MET 10 HA MET 10 7.063 -2.440 2.759
88 HB2 MET 10 HB2 MET 10 6.274 -3.480 4.920
89 HB3 MET 10 HB3 MET 10 7.655 -4.577 4.843
90 HG2 MET 10 HG2 MET 10 9.171 -2.550 4.870
91 HG3 MET 10 HG3 MET 10 7.732 -1.544 5.024
92 HE1 MET 10 HE1 MET 10 10.294 -3.872 6.709
93 HE2 MET 10 HE2 MET 10 9.560 -4.267 8.279
94 HE3 MET 10 HE3 MET 10 8.894 -4.967 6.790
95 H PHE 11 H PHE 11 9.012 -1.771 2.297
96 HA PHE 11 HA PHE 11 10.947 -3.472 0.970
97 HB2 PHE 11 HB2 PHE 11 10.825 -0.535 1.639
98 HB3 PHE 11 HB3 PHE 11 12.202 -1.268 0.804
99 HD1 PHE 11 HD1 PHE 11 11.659 -2.641 -1.385
100 HD2 PHE 11 HD2 PHE 11 9.056 0.327 0.360
101 HE1 PHE 11 HE1 PHE 11 10.547 -2.311 -3.583
102 HE2 PHE 11 HE2 PHE 11 7.958 0.655 -1.827
103 HZ PHE 11 HZ PHE 11 8.700 -0.655 -3.811
104 H ALA 12 H ALA 12 13.273 -3.490 1.420
105 HA ALA 12 HA ALA 12 13.885 -4.404 4.040
106 HB1 ALA 12 HB1 ALA 12 15.728 -3.457 1.799
107 HB2 ALA 12 HB2 ALA 12 16.199 -4.468 3.181
108 HB3 ALA 12 HB3 ALA 12 15.057 -5.096 1.980
109 H ASN 13 H ASN 13 13.933 -1.150 2.780
110 HA ASN 13 HA ASN 13 15.540 -0.002 4.953
111 HB2 ASN 13 HB2 ASN 13 14.986 2.150 3.858
112 HB3 ASN 13 HB3 ASN 13 15.675 0.964 2.740
113 HD21 ASN 13 HD21 ASN 13 14.766 2.380 1.083
114 H GLY 14 H GLY 14 12.387 -1.172 4.925
115 HA2 GLY 14 HA2 GLY 14 10.895 -1.115 6.706
116 HA3 GLY 14 HA3 GLY 14 11.681 0.329 7.368
117 H THR 15 H THR 15 10.809 0.581 3.991
118 HA THR 15 HA THR 15 8.598 2.468 4.649
119 HB THR 15 HB THR 15 10.141 1.780 2.116
120 HG1 THR 15 HG1 THR 15 10.853 3.845 2.361
121 HG21 THR 15 HG21 THR 15 8.976 3.714 1.054
122 HG22 THR 15 HG22 THR 15 7.917 2.328 1.314
123 HG23 THR 15 HG23 THR 15 7.824 3.730 2.409
124 H VAL 16 H VAL 16 6.507 1.959 4.399
125 HA VAL 16 HA VAL 16 5.729 -0.769 3.510
126 HB VAL 16 HB VAL 16 4.362 1.439 5.090
127 HG11 VAL 16 HG11 VAL 16 2.553 0.434 3.778
128 HG12 VAL 16 HG12 VAL 16 3.102 -1.200 4.230
129 HG13 VAL 16 HG13 VAL 16 2.459 -0.083 5.456
130 HG21 VAL 16 HG21 VAL 16 5.982 0.002 6.314
131 HG22 VAL 16 HG22 VAL 16 4.319 -0.262 6.872
132 HG23 VAL 16 HG23 VAL 16 5.081 -1.442 5.790
133 H TYR 17 H TYR 17 4.245 -1.170 1.939
134 HA TYR 17 HA TYR 17 2.945 0.966 0.393
135 HB2 TYR 17 HB2 TYR 17 3.880 0.294 -1.729
136 HB3 TYR 17 HB3 TYR 17 5.175 0.759 -0.662
137 HD1 TYR 17 HD1 TYR 17 6.609 -1.060 0.444
138 HD2 TYR 17 HD2 TYR 17 3.879 -1.839 -2.809
139 HE1 TYR 17 HE1 TYR 17 7.936 -3.060 -0.200
140 HE2 TYR 17 HE2 TYR 17 5.190 -3.865 -3.420
141 HH TYR 17 HH TYR 17 8.283 -4.626 -1.816
142 H TYR 18 H TYR 18 1.743 -0.268 -1.526
143 HA TYR 18 HA TYR 18 0.351 -2.641 -0.371
144 HB2 TYR 18 HB2 TYR 18 -0.703 -0.454 -2.186
145 HB3 TYR 18 HB3 TYR 18 -1.589 -1.909 -1.705
146 HD1 TYR 18 HD1 TYR 18 -0.266 1.343 -0.565
147 HD2 TYR 18 HD2 TYR 18 -2.434 -2.206 0.588
148 HE1 TYR 18 HE1 TYR 18 -0.968 2.464 1.545
149 HE2 TYR 18 HE2 TYR 18 -3.153 -1.071 2.694
150 HH TYR 18 HH TYR 18 -2.128 2.252 3.500
151 H PHE 19 H PHE 19 0.104 -4.470 -1.544
152 HA PHE 19 HA PHE 19 1.077 -4.524 -4.356
153 HB2 PHE 19 HB2 PHE 19 3.012 -4.994 -3.073
154 HB3 PHE 19 HB3 PHE 19 2.143 -6.171 -2.073
155 HD1 PHE 19 HD1 PHE 19 3.151 -5.427 -5.563
156 HD2 PHE 19 HD2 PHE 19 2.048 -8.510 -2.758
157 HE1 PHE 19 HE1 PHE 19 3.626 -7.114 -7.265
158 HE2 PHE 19 HE2 PHE 19 2.605 -10.236 -4.453
159 HZ PHE 19 HZ PHE 19 3.384 -9.561 -6.719
160 H ASN 20 H ASN 20 0.087 -5.844 -5.749
161 HA ASN 20 HA ASN 20 -2.199 -7.420 -4.697
162 HB2 ASN 20 HB2 ASN 20 -2.506 -5.581 -6.410
163 HB3 ASN 20 HB3 ASN 20 -1.666 -6.623 -7.569
164 HD21 ASN 20 HD21 ASN 20 -4.675 -5.706 -6.732
165 HD22 ASN 20 HD22 ASN 20 -5.555 -7.201 -6.978
166 H HIS 21 H HIS 21 -1.822 -9.528 -4.361
167 HA HIS 21 HA HIS 21 0.473 -10.855 -5.580
168 HB2 HIS 21 HB2 HIS 21 0.238 -12.436 -3.996
169 HB3 HIS 21 HB3 HIS 21 -0.580 -11.111 -3.175
170 HD2 HIS 21 HD2 HIS 21 -3.328 -11.337 -2.945
171 HE1 HIS 21 HE1 HIS 21 -3.500 -15.482 -3.922
172 HE2 HIS 21 HE2 HIS 21 -4.789 -13.525 -2.927
173 H ILE 22 H ILE 22 -2.818 -10.543 -6.528
174 HA ILE 22 HA ILE 22 -2.953 -12.990 -8.159
175 HB ILE 22 HB ILE 22 -4.788 -10.567 -7.932
176 HG12 ILE 22 HG12 ILE 22 -4.570 -11.821 -5.778
177 HG13 ILE 22 HG13 ILE 22 -6.194 -11.811 -6.448
178 HG21 ILE 22 HG21 ILE 22 -5.243 -11.614 -10.025
179 HG22 ILE 22 HG22 ILE 22 -5.236 -13.234 -9.301
180 HG23 ILE 22 HG23 ILE 22 -6.528 -12.075 -8.906
181 HD11 ILE 22 HD11 ILE 22 -5.909 -14.140 -7.229
182 HD12 ILE 22 HD12 ILE 22 -4.241 -14.144 -6.597
183 HD13 ILE 22 HD13 ILE 22 -5.622 -13.979 -5.494
184 H THR 23 H THR 23 -2.540 -9.498 -8.633
185 HA THR 23 HA THR 23 -2.187 -9.868 -11.558
186 HB THR 23 HB THR 23 -3.001 -7.719 -11.910
187 HG1 THR 23 HG1 THR 23 -3.575 -6.595 -9.786
188 HG21 THR 23 HG21 THR 23 -4.796 -9.320 -11.167
189 HG22 THR 23 HG22 THR 23 -4.656 -8.649 -9.525
190 HG23 THR 23 HG23 THR 23 -5.165 -7.612 -10.872
191 H ASN 24 H ASN 24 -0.208 -9.270 -8.938
192 HA ASN 24 HA ASN 24 1.841 -8.523 -8.589
193 HB2 ASN 24 HB2 ASN 24 2.265 -8.840 -11.579
194 HB3 ASN 24 HB3 ASN 24 3.539 -8.550 -10.388
195 HD21 ASN 24 HD21 ASN 24 4.249 -10.248 -9.054
196 HD22 ASN 24 HD22 ASN 24 3.683 -11.901 -9.305
197 H ALA 25 H ALA 25 -0.402 -6.523 -9.539
198 HA ALA 25 HA ALA 25 1.070 -4.123 -10.191
199 HB1 ALA 25 HB1 ALA 25 -1.030 -2.992 -9.607
200 HB2 ALA 25 HB2 ALA 25 -1.348 -4.410 -10.624
201 HB3 ALA 25 HB3 ALA 25 -1.653 -4.484 -8.873
202 H SER 26 H SER 26 1.480 -2.293 -8.797
203 HA SER 26 HA SER 26 1.488 -2.740 -5.885
204 HB2 SER 26 HB2 SER 26 3.792 -2.002 -5.593
205 HB3 SER 26 HB3 SER 26 3.690 -3.530 -6.466
206 HG SER 26 HG SER 26 4.110 -2.461 -8.376
207 H GLN 27 H GLN 27 1.510 -0.824 -4.638
208 HA GLN 27 HA GLN 27 1.597 1.813 -5.979
209 HB2 GLN 27 HB2 GLN 27 -0.863 0.726 -4.540
210 HB3 GLN 27 HB3 GLN 27 -0.514 2.452 -4.718
211 HG2 GLN 27 HG2 GLN 27 -0.477 2.226 -7.159
212 HG3 GLN 27 HG3 GLN 27 -0.961 0.523 -7.005
213 HE21 GLN 27 HE21 GLN 27 -2.522 2.582 -4.609
214 HE22 GLN 27 HE22 GLN 27 -3.988 2.839 -5.561
215 H PHE 28 H PHE 28 2.264 3.465 -4.722
216 HA PHE 28 HA PHE 28 3.012 2.955 -1.939
217 HB2 PHE 28 HB2 PHE 28 3.415 5.294 -3.782
218 HB3 PHE 28 HB3 PHE 28 3.711 5.412 -2.045
219 HD1 PHE 28 HD1 PHE 28 4.970 4.033 -5.205
220 HD2 PHE 28 HD2 PHE 28 5.466 4.078 -0.920
221 HE1 PHE 28 HE1 PHE 28 7.258 3.098 -5.460
222 HE2 PHE 28 HE2 PHE 28 7.759 3.158 -1.180
223 HZ PHE 28 HZ PHE 28 8.658 2.668 -3.449
224 H GLU 29 H GLU 29 0.223 4.123 -3.457
225 HA GLU 29 HA GLU 29 -0.878 5.249 -0.915
226 HB2 GLU 29 HB2 GLU 29 -0.744 6.859 -2.732
227 HB3 GLU 29 HB3 GLU 29 -1.649 5.779 -3.807
228 HG2 GLU 29 HG2 GLU 29 -3.643 5.983 -2.408
229 HG3 GLU 29 HG3 GLU 29 -2.747 6.917 -1.205
230 H ARG 30 H ARG 30 -2.899 4.562 -0.200
231 HA ARG 30 HA ARG 30 -3.443 1.830 -0.396
232 HB2 ARG 30 HB2 ARG 30 -3.975 3.132 1.521
233 HB3 ARG 30 HB3 ARG 30 -5.125 4.131 0.646
234 HG2 ARG 30 HG2 ARG 30 -5.579 1.143 0.763
235 HG3 ARG 30 HG3 ARG 30 -5.882 2.108 2.215
236 HD2 ARG 30 HD2 ARG 30 -7.723 3.149 1.372
237 HD3 ARG 30 HD3 ARG 30 -7.076 3.246 -0.257
238 HE ARG 30 HE ARG 30 -8.086 1.286 -0.838
239 HH11 ARG 30 HH11 ARG 30 -9.866 -1.030 0.909
240 HH12 ARG 30 HH12 ARG 30 -9.506 -0.338 -0.663
241 HH21 ARG 30 HH21 ARG 30 -7.953 1.164 2.675
242 HH22 ARG 30 HH22 ARG 30 -8.852 -0.341 2.687
243 HA PRO 31 HA PRO 31 -5.406 1.732 -4.348
244 HB2 PRO 31 HB2 PRO 31 -5.925 -0.933 -4.624
245 HB3 PRO 31 HB3 PRO 31 -4.260 -0.266 -4.575
246 HG2 PRO 31 HG2 PRO 31 -5.862 -1.423 -2.265
247 HG3 PRO 31 HG3 PRO 31 -4.196 -1.859 -2.768
248 HD2 PRO 31 HD2 PRO 31 -4.612 -0.092 -0.788
249 HD3 PRO 31 HD3 PRO 31 -3.319 0.182 -1.994
250 H SER 32 H SER 32 -7.340 1.844 -5.367
251 HA SER 32 HA SER 32 -9.840 1.394 -3.822
252 HB2 SER 32 HB2 SER 32 -10.871 2.789 -5.563
253 HB3 SER 32 HB3 SER 32 -9.525 3.606 -4.754
254 HG SER 32 HG SER 32 -9.446 3.841 -7.034
255 H GLY 33 H GLY 33 -8.061 -0.021 -6.460
256 HA2 GLY 33 HA2 GLY 33 -9.659 -2.352 -6.717
257 HA3 GLY 33 HA3 GLY 33 -10.168 -1.223 -7.971
258 H1 GAL 101 H1 GAL 34 11.940 1.600 0.517
259 H2 GAL 101 H2 GAL 34 13.395 4.107 -0.488
260 H3 GAL 101 H3 GAL 34 10.557 3.057 -0.970
261 H4 GAL 101 H4 GAL 34 11.251 2.646 -3.280
262 H5 GAL 101 H5 GAL 34 11.645 0.778 -1.786
263 H61 GAL 101 H61 GAL 34 12.507 0.313 -4.010
264 H62 GAL 101 H62 GAL 34 14.033 1.150 -3.646
265 HO2 GAL 101 H2O GAL 34 12.663 4.570 1.528
266 HO3 GAL 101 H3O GAL 34 10.908 5.394 -0.962
267 HO4 GAL 101 H4O GAL 34 12.821 4.410 -3.204
268 HO6 GAL 101 H6O GAL 34 14.176 -0.384 -1.818
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -12.464 -5.113 4.025
2 H2 LYS 1 H2 LYS 1 -11.812 -3.721 4.577
3 H3 LYS 1 H3 LYS 1 -11.852 -5.042 5.544
4 HA LYS 1 HA LYS 1 -9.640 -4.686 4.711
5 HB2 LYS 1 HB2 LYS 1 -10.490 -6.987 5.198
6 HB3 LYS 1 HB3 LYS 1 -10.967 -7.157 3.515
7 HG2 LYS 1 HG2 LYS 1 -8.913 -8.364 4.001
8 HG3 LYS 1 HG3 LYS 1 -8.612 -7.118 2.808
9 HD2 LYS 1 HD2 LYS 1 -7.730 -5.646 4.735
10 HD3 LYS 1 HD3 LYS 1 -7.876 -7.059 5.777
11 HE2 LYS 1 HE2 LYS 1 -6.185 -6.881 3.233
12 HE3 LYS 1 HE3 LYS 1 -5.573 -6.652 4.872
13 HZ1 LYS 1 HZ1 LYS 1 -6.222 -8.947 5.367
14 HZ2 LYS 1 HZ2 LYS 1 -6.738 -9.171 3.826
15 HZ3 LYS 1 HZ3 LYS 1 -5.154 -8.874 4.129
16 H LEU 2 H LEU 2 -8.208 -5.003 2.774
17 HA LEU 2 HA LEU 2 -8.741 -3.155 0.711
18 HB2 LEU 2 HB2 LEU 2 -6.735 -5.427 1.021
19 HB3 LEU 2 HB3 LEU 2 -6.647 -4.257 -0.296
20 HG LEU 2 HG LEU 2 -6.570 -3.383 2.613
21 HD11 LEU 2 HD11 LEU 2 -4.256 -4.016 0.737
22 HD12 LEU 2 HD12 LEU 2 -4.122 -3.246 2.336
23 HD13 LEU 2 HD13 LEU 2 -4.701 -4.912 2.210
24 HD21 LEU 2 HD21 LEU 2 -7.117 -1.633 0.900
25 HD22 LEU 2 HD22 LEU 2 -5.550 -1.362 1.669
26 HD23 LEU 2 HD23 LEU 2 -5.618 -2.061 0.039
27 HA PRO 3 HA PRO 3 -10.926 -5.304 -2.434
28 HB2 PRO 3 HB2 PRO 3 -9.098 -4.404 -4.599
29 HB3 PRO 3 HB3 PRO 3 -10.819 -4.011 -4.331
30 HG2 PRO 3 HG2 PRO 3 -8.798 -2.210 -3.900
31 HG3 PRO 3 HG3 PRO 3 -10.298 -2.233 -2.904
32 HD2 PRO 3 HD2 PRO 3 -7.587 -3.396 -2.274
33 HD3 PRO 3 HD3 PRO 3 -8.690 -2.450 -1.230
34 HA PRO 4 HA PRO 4 -9.566 -9.248 -3.584
35 HB2 PRO 4 HB2 PRO 4 -9.923 -8.657 -6.533
36 HB3 PRO 4 HB3 PRO 4 -10.433 -10.105 -5.601
37 HG2 PRO 4 HG2 PRO 4 -12.236 -8.173 -6.137
38 HG3 PRO 4 HG3 PRO 4 -12.152 -8.856 -4.477
39 HD2 PRO 4 HD2 PRO 4 -10.974 -6.266 -5.512
40 HD3 PRO 4 HD3 PRO 4 -11.868 -6.575 -3.989
41 H GLY 5 H GLY 5 -7.633 -10.052 -3.396
42 HA2 GLY 5 HA2 GLY 5 -5.486 -10.724 -3.842
43 HA3 GLY 5 HA3 GLY 5 -5.505 -9.808 -5.357
44 H TRP 6 H TRP 6 -6.275 -7.399 -3.272
45 HA TRP 6 HA TRP 6 -3.522 -6.445 -3.080
46 HB2 TRP 6 HB2 TRP 6 -6.158 -5.244 -2.262
47 HB3 TRP 6 HB3 TRP 6 -4.600 -4.479 -1.940
48 HD1 TRP 6 HD1 TRP 6 -7.050 -5.167 -4.726
49 HE1 TRP 6 HE1 TRP 6 -6.370 -3.913 -6.862
50 HE3 TRP 6 HE3 TRP 6 -2.416 -3.567 -3.262
51 HZ2 TRP 6 HZ2 TRP 6 -3.997 -2.680 -7.904
52 HZ3 TRP 6 HZ3 TRP 6 -0.932 -2.394 -4.883
53 HH2 TRP 6 HH2 TRP 6 -1.703 -1.947 -7.198
54 H GLU 7 H GLU 7 -2.223 -6.195 -1.384
55 HA GLU 7 HA GLU 7 -3.170 -6.438 1.380
56 HB2 GLU 7 HB2 GLU 7 -2.658 -8.781 0.599
57 HB3 GLU 7 HB3 GLU 7 -1.007 -8.277 0.256
58 HG2 GLU 7 HG2 GLU 7 -1.241 -9.519 2.384
59 HG3 GLU 7 HG3 GLU 7 -0.570 -7.915 2.618
60 H LYS 8 H LYS 8 -1.551 -5.640 2.934
61 HA LYS 8 HA LYS 8 0.256 -3.595 1.820
62 HB2 LYS 8 HB2 LYS 8 -0.433 -4.443 4.637
63 HB3 LYS 8 HB3 LYS 8 0.957 -3.394 4.300
64 HG2 LYS 8 HG2 LYS 8 -0.448 -1.758 3.161
65 HG3 LYS 8 HG3 LYS 8 -1.860 -2.818 3.321
66 HD2 LYS 8 HD2 LYS 8 -2.054 -1.114 4.987
67 HD3 LYS 8 HD3 LYS 8 -1.657 -2.620 5.828
68 HE2 LYS 8 HE2 LYS 8 0.751 -1.889 5.926
69 HE3 LYS 8 HE3 LYS 8 0.309 -0.401 5.083
70 HZ1 LYS 8 HZ1 LYS 8 -0.734 -1.219 7.742
71 HZ2 LYS 8 HZ2 LYS 8 0.397 -0.070 7.487
72 HZ3 LYS 8 HZ3 LYS 8 -1.132 0.162 6.963
73 H ARG 9 H ARG 9 2.388 -3.488 1.874
74 HA ARG 9 HA ARG 9 4.062 -5.874 2.481
75 HB2 ARG 9 HB2 ARG 9 3.107 -5.967 0.119
76 HB3 ARG 9 HB3 ARG 9 4.050 -4.524 -0.260
77 HG2 ARG 9 HG2 ARG 9 6.132 -5.738 0.077
78 HG3 ARG 9 HG3 ARG 9 5.267 -7.117 0.803
79 HD2 ARG 9 HD2 ARG 9 4.150 -7.580 -1.336
80 HD3 ARG 9 HD3 ARG 9 4.951 -6.169 -2.071
81 HE ARG 9 HE ARG 9 6.828 -8.069 -0.905
82 HH11 ARG 9 HH11 ARG 9 7.956 -9.205 -3.940
83 HH12 ARG 9 HH12 ARG 9 8.266 -9.100 -2.229
84 HH21 ARG 9 HH21 ARG 9 4.977 -7.523 -3.842
85 HH22 ARG 9 HH22 ARG 9 6.164 -8.324 -4.829
86 H MET 10 H MET 10 6.478 -5.265 2.153
87 HA MET 10 HA MET 10 7.032 -2.419 2.711
88 HB2 MET 10 HB2 MET 10 6.192 -3.465 4.858
89 HB3 MET 10 HB3 MET 10 7.563 -4.576 4.790
90 HG2 MET 10 HG2 MET 10 9.088 -2.537 4.823
91 HG3 MET 10 HG3 MET 10 7.645 -1.548 5.021
92 HE1 MET 10 HE1 MET 10 10.269 -3.864 6.609
93 HE2 MET 10 HE2 MET 10 9.561 -4.330 8.172
94 HE3 MET 10 HE3 MET 10 8.899 -4.997 6.667
95 H PHE 11 H PHE 11 9.003 -1.802 2.266
96 HA PHE 11 HA PHE 11 10.913 -3.553 0.963
97 HB2 PHE 11 HB2 PHE 11 10.869 -0.615 1.648
98 HB3 PHE 11 HB3 PHE 11 12.223 -1.389 0.810
99 HD1 PHE 11 HD1 PHE 11 11.652 -2.710 -1.395
100 HD2 PHE 11 HD2 PHE 11 9.112 0.291 0.383
101 HE1 PHE 11 HE1 PHE 11 10.545 -2.335 -3.589
102 HE2 PHE 11 HE2 PHE 11 8.019 0.664 -1.802
103 HZ PHE 11 HZ PHE 11 8.732 -0.642 -3.799
104 H ALA 12 H ALA 12 13.226 -3.644 1.466
105 HA ALA 12 HA ALA 12 13.740 -4.593 4.091
106 HB1 ALA 12 HB1 ALA 12 14.935 -5.314 2.056
107 HB2 ALA 12 HB2 ALA 12 15.675 -3.701 1.906
108 HB3 ALA 12 HB3 ALA 12 16.070 -4.740 3.292
109 H ASN 13 H ASN 13 13.926 -1.334 2.872
110 HA ASN 13 HA ASN 13 15.530 -0.259 5.082
111 HB2 ASN 13 HB2 ASN 13 15.054 1.921 4.001
112 HB3 ASN 13 HB3 ASN 13 15.730 0.726 2.882
113 HD21 ASN 13 HD21 ASN 13 14.887 2.184 1.226
114 H GLY 14 H GLY 14 12.338 -1.322 4.981
115 HA2 GLY 14 HA2 GLY 14 10.827 -1.239 6.749
116 HA3 GLY 14 HA3 GLY 14 11.638 0.179 7.430
117 H THR 15 H THR 15 10.835 0.479 4.043
118 HA THR 15 HA THR 15 8.665 2.420 4.677
119 HB THR 15 HB THR 15 10.236 1.712 2.167
120 HG1 THR 15 HG1 THR 15 11.006 3.755 2.450
121 HG21 THR 15 HG21 THR 15 9.149 3.692 1.105
122 HG22 THR 15 HG22 THR 15 8.043 2.338 1.333
123 HG23 THR 15 HG23 THR 15 7.974 3.731 2.440
124 H VAL 16 H VAL 16 6.565 1.979 4.375
125 HA VAL 16 HA VAL 16 5.726 -0.720 3.457
126 HB VAL 16 HB VAL 16 4.382 1.521 5.011
127 HG11 VAL 16 HG11 VAL 16 3.091 -1.099 4.141
128 HG12 VAL 16 HG12 VAL 16 2.449 0.032 5.353
129 HG13 VAL 16 HG13 VAL 16 2.578 0.543 3.675
130 HG21 VAL 16 HG21 VAL 16 4.272 -0.174 6.797
131 HG22 VAL 16 HG22 VAL 16 5.044 -1.366 5.737
132 HG23 VAL 16 HG23 VAL 16 5.950 0.068 6.276
133 H TYR 17 H TYR 17 4.242 -1.073 1.870
134 HA TYR 17 HA TYR 17 3.020 1.102 0.315
135 HB2 TYR 17 HB2 TYR 17 3.957 0.421 -1.795
136 HB3 TYR 17 HB3 TYR 17 5.263 0.812 -0.715
137 HD1 TYR 17 HD1 TYR 17 6.602 -1.090 0.377
138 HD2 TYR 17 HD2 TYR 17 3.866 -1.690 -2.912
139 HE1 TYR 17 HE1 TYR 17 7.837 -3.141 -0.284
140 HE2 TYR 17 HE2 TYR 17 5.085 -3.767 -3.539
141 HH TYR 17 HH TYR 17 8.082 -4.757 -1.871
142 H TYR 18 H TYR 18 1.793 -0.109 -1.607
143 HA TYR 18 HA TYR 18 0.318 -2.426 -0.449
144 HB2 TYR 18 HB2 TYR 18 -0.650 -0.198 -2.255
145 HB3 TYR 18 HB3 TYR 18 -1.577 -1.646 -1.844
146 HD1 TYR 18 HD1 TYR 18 -0.167 1.511 -0.532
147 HD2 TYR 18 HD2 TYR 18 -2.551 -1.971 0.381
148 HE1 TYR 18 HE1 TYR 18 -0.942 2.596 1.571
149 HE2 TYR 18 HE2 TYR 18 -3.341 -0.869 2.471
150 HH TYR 18 HH TYR 18 -2.256 2.397 3.424
151 H PHE 19 H PHE 19 0.020 -4.263 -1.593
152 HA PHE 19 HA PHE 19 1.012 -4.388 -4.397
153 HB2 PHE 19 HB2 PHE 19 2.936 -4.841 -3.058
154 HB3 PHE 19 HB3 PHE 19 2.045 -6.014 -2.076
155 HD1 PHE 19 HD1 PHE 19 3.123 -5.277 -5.549
156 HD2 PHE 19 HD2 PHE 19 1.973 -8.352 -2.755
157 HE1 PHE 19 HE1 PHE 19 3.648 -6.975 -7.233
158 HE2 PHE 19 HE2 PHE 19 2.574 -10.083 -4.428
159 HZ PHE 19 HZ PHE 19 3.399 -9.415 -6.682
160 H ASN 20 H ASN 20 0.065 -5.808 -5.746
161 HA ASN 20 HA ASN 20 -2.182 -7.414 -4.630
162 HB2 ASN 20 HB2 ASN 20 -2.642 -5.587 -6.299
163 HB3 ASN 20 HB3 ASN 20 -1.764 -6.546 -7.502
164 HD21 ASN 20 HD21 ASN 20 -4.802 -5.828 -6.588
165 HD22 ASN 20 HD22 ASN 20 -5.600 -7.358 -6.911
166 H HIS 21 H HIS 21 -1.754 -9.529 -4.361
167 HA HIS 21 HA HIS 21 0.566 -10.737 -5.661
168 HB2 HIS 21 HB2 HIS 21 0.445 -12.362 -4.105
169 HB3 HIS 21 HB3 HIS 21 -0.388 -11.079 -3.232
170 HD2 HIS 21 HD2 HIS 21 -3.168 -11.361 -3.058
171 HE1 HIS 21 HE1 HIS 21 -3.185 -15.533 -3.924
172 HE2 HIS 21 HE2 HIS 21 -4.555 -13.597 -3.001
173 H ILE 22 H ILE 22 -2.749 -10.548 -6.548
174 HA ILE 22 HA ILE 22 -2.813 -12.987 -8.198
175 HB ILE 22 HB ILE 22 -4.720 -10.622 -7.969
176 HG12 ILE 22 HG12 ILE 22 -4.477 -11.839 -5.805
177 HG13 ILE 22 HG13 ILE 22 -6.096 -11.905 -6.486
178 HG21 ILE 22 HG21 ILE 22 -6.412 -12.190 -8.932
179 HG22 ILE 22 HG22 ILE 22 -5.142 -11.699 -10.054
180 HG23 ILE 22 HG23 ILE 22 -5.085 -13.313 -9.317
181 HD11 ILE 22 HD11 ILE 22 -5.706 -14.231 -7.233
182 HD12 ILE 22 HD12 ILE 22 -4.043 -14.154 -6.588
183 HD13 ILE 22 HD13 ILE 22 -5.439 -14.035 -5.497
184 H THR 23 H THR 23 -2.519 -9.479 -8.633
185 HA THR 23 HA THR 23 -2.166 -9.794 -11.563
186 HB THR 23 HB THR 23 -3.017 -7.648 -11.867
187 HG1 THR 23 HG1 THR 23 -3.599 -6.577 -9.724
188 HG21 THR 23 HG21 THR 23 -5.178 -7.607 -10.822
189 HG22 THR 23 HG22 THR 23 -4.778 -9.303 -11.142
190 HG23 THR 23 HG23 THR 23 -4.644 -8.652 -9.491
191 H ASN 24 H ASN 24 -0.197 -9.184 -8.927
192 HA ASN 24 HA ASN 24 1.834 -8.403 -8.561
193 HB2 ASN 24 HB2 ASN 24 2.299 -8.663 -11.547
194 HB3 ASN 24 HB3 ASN 24 3.550 -8.425 -10.320
195 HD21 ASN 24 HD21 ASN 24 2.504 -12.157 -11.087
196 HD22 ASN 24 HD22 ASN 24 2.161 -10.792 -12.156
197 H ALA 25 H ALA 25 -0.440 -6.449 -9.466
198 HA ALA 25 HA ALA 25 0.964 -4.026 -10.173
199 HB1 ALA 25 HB1 ALA 25 -1.148 -2.934 -9.560
200 HB2 ALA 25 HB2 ALA 25 -1.452 -4.368 -10.558
201 HB3 ALA 25 HB3 ALA 25 -1.727 -4.431 -8.801
202 H SER 26 H SER 26 1.443 -2.206 -8.845
203 HA SER 26 HA SER 26 1.559 -2.572 -5.914
204 HB2 SER 26 HB2 SER 26 3.920 -1.840 -5.827
205 HB3 SER 26 HB3 SER 26 3.698 -3.428 -6.555
206 HG SER 26 HG SER 26 4.032 -0.992 -7.999
207 H GLN 27 H GLN 27 1.528 -0.670 -4.725
208 HA GLN 27 HA GLN 27 1.773 1.966 -6.068
209 HB2 GLN 27 HB2 GLN 27 -0.727 0.971 -4.640
210 HB3 GLN 27 HB3 GLN 27 -0.329 2.687 -4.848
211 HG2 GLN 27 HG2 GLN 27 -0.375 2.493 -7.242
212 HG3 GLN 27 HG3 GLN 27 -0.790 0.765 -7.133
213 HE21 GLN 27 HE21 GLN 27 -3.882 2.874 -5.519
214 HE22 GLN 27 HE22 GLN 27 -2.372 2.643 -4.639
215 H PHE 28 H PHE 28 2.385 3.639 -4.744
216 HA PHE 28 HA PHE 28 3.122 3.031 -1.977
217 HB2 PHE 28 HB2 PHE 28 3.558 5.425 -3.731
218 HB3 PHE 28 HB3 PHE 28 3.821 5.490 -1.986
219 HD1 PHE 28 HD1 PHE 28 5.125 4.178 -5.161
220 HD2 PHE 28 HD2 PHE 28 5.549 4.118 -0.868
221 HE1 PHE 28 HE1 PHE 28 7.404 3.216 -5.397
222 HE2 PHE 28 HE2 PHE 28 7.833 3.171 -1.110
223 HZ PHE 28 HZ PHE 28 8.763 2.720 -3.374
224 H GLU 29 H GLU 29 0.334 4.252 -3.451
225 HA GLU 29 HA GLU 29 -0.814 5.125 -0.829
226 HB2 GLU 29 HB2 GLU 29 -0.715 6.905 -2.555
227 HB3 GLU 29 HB3 GLU 29 -1.619 5.881 -3.667
228 HG2 GLU 29 HG2 GLU 29 -3.029 7.613 -2.662
229 HG3 GLU 29 HG3 GLU 29 -3.606 6.010 -2.245
230 H ARG 30 H ARG 30 -3.062 4.417 -0.420
231 HA ARG 30 HA ARG 30 -3.351 1.626 -0.874
232 HB2 ARG 30 HB2 ARG 30 -5.479 1.761 0.219
233 HB3 ARG 30 HB3 ARG 30 -4.321 2.751 1.075
234 HG2 ARG 30 HG2 ARG 30 -5.404 4.718 0.627
235 HG3 ARG 30 HG3 ARG 30 -6.016 4.202 -0.952
236 HD2 ARG 30 HD2 ARG 30 -7.070 3.207 1.710
237 HD3 ARG 30 HD3 ARG 30 -7.806 4.492 0.738
238 HE ARG 30 HE ARG 30 -7.674 2.414 -1.067
239 HH11 ARG 30 HH11 ARG 30 -9.118 0.903 -1.459
240 HH12 ARG 30 HH12 ARG 30 -10.282 0.392 -0.241
241 HH21 ARG 30 HH21 ARG 30 -9.103 2.580 2.143
242 HH22 ARG 30 HH22 ARG 30 -10.252 1.321 1.769
243 HA PRO 31 HA PRO 31 -5.359 1.293 -4.809
244 HB2 PRO 31 HB2 PRO 31 -6.767 -1.041 -4.578
245 HB3 PRO 31 HB3 PRO 31 -4.975 -0.980 -4.649
246 HG2 PRO 31 HG2 PRO 31 -6.727 -1.088 -2.164
247 HG3 PRO 31 HG3 PRO 31 -5.340 -2.152 -2.573
248 HD2 PRO 31 HD2 PRO 31 -5.025 -0.022 -0.961
249 HD3 PRO 31 HD3 PRO 31 -3.777 -0.416 -2.181
250 H SER 32 H SER 32 -7.239 1.887 -5.837
251 HA SER 32 HA SER 32 -9.217 3.266 -4.268
252 HB2 SER 32 HB2 SER 32 -9.102 2.658 -7.248
253 HB3 SER 32 HB3 SER 32 -10.218 3.798 -6.472
254 HG SER 32 HG SER 32 -8.358 4.846 -7.285
255 H GLY 33 H GLY 33 -9.214 0.060 -5.659
256 HA2 GLY 33 HA2 GLY 33 -10.750 -1.682 -5.612
257 HA3 GLY 33 HA3 GLY 33 -11.738 -0.751 -4.485
258 H1 GAL 101 H1 GAL 34 12.044 1.507 0.611
259 H2 GAL 101 H2 GAL 34 13.606 3.967 -0.345
260 H3 GAL 101 H3 GAL 34 10.739 3.031 -0.884
261 H4 GAL 101 H4 GAL 34 11.453 2.618 -3.186
262 H5 GAL 101 H5 GAL 34 11.749 0.721 -1.706
263 H61 GAL 101 H61 GAL 34 12.625 0.241 -3.920
264 H62 GAL 101 H62 GAL 34 14.176 1.018 -3.529
265 HO2 GAL 101 H2O GAL 34 12.859 4.433 1.666
266 HO3 GAL 101 H3O GAL 34 11.181 5.352 -0.844
267 HO4 GAL 101 H4O GAL 34 13.090 4.318 -3.066
268 HO6 GAL 101 H6O GAL 34 14.238 -0.534 -1.713
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -10.996 -5.945 3.346
2 H2 LYS 1 H2 LYS 1 -11.935 -4.613 3.519
3 H3 LYS 1 H3 LYS 1 -11.556 -5.520 4.822
4 HA LYS 1 HA LYS 1 -10.287 -3.505 4.841
5 HB2 LYS 1 HB2 LYS 1 -9.316 -5.624 5.780
6 HB3 LYS 1 HB3 LYS 1 -8.481 -5.886 4.250
7 HG2 LYS 1 HG2 LYS 1 -7.375 -3.578 4.610
8 HG3 LYS 1 HG3 LYS 1 -8.141 -3.563 6.197
9 HD2 LYS 1 HD2 LYS 1 -5.921 -4.303 6.550
10 HD3 LYS 1 HD3 LYS 1 -6.924 -5.754 6.700
11 HE2 LYS 1 HE2 LYS 1 -6.339 -6.367 4.339
12 HE3 LYS 1 HE3 LYS 1 -5.370 -4.891 4.213
13 HZ1 LYS 1 HZ1 LYS 1 -3.966 -5.770 6.021
14 HZ2 LYS 1 HZ2 LYS 1 -4.825 -7.163 6.040
15 HZ3 LYS 1 HZ3 LYS 1 -3.949 -6.752 4.717
16 H LEU 2 H LEU 2 -8.894 -5.449 2.149
17 HA LEU 2 HA LEU 2 -8.503 -2.951 0.567
18 HB2 LEU 2 HB2 LEU 2 -6.804 -5.446 0.909
19 HB3 LEU 2 HB3 LEU 2 -6.543 -4.299 -0.407
20 HG LEU 2 HG LEU 2 -6.459 -3.424 2.495
21 HD11 LEU 2 HD11 LEU 2 -4.019 -3.572 2.341
22 HD12 LEU 2 HD12 LEU 2 -4.751 -5.169 2.103
23 HD13 LEU 2 HD13 LEU 2 -4.146 -4.259 0.704
24 HD21 LEU 2 HD21 LEU 2 -6.744 -1.647 0.734
25 HD22 LEU 2 HD22 LEU 2 -5.212 -1.529 1.600
26 HD23 LEU 2 HD23 LEU 2 -5.253 -2.229 -0.033
27 HA PRO 3 HA PRO 3 -10.785 -4.800 -2.734
28 HB2 PRO 3 HB2 PRO 3 -8.830 -3.969 -4.806
29 HB3 PRO 3 HB3 PRO 3 -10.516 -3.437 -4.559
30 HG2 PRO 3 HG2 PRO 3 -8.367 -1.825 -4.011
31 HG3 PRO 3 HG3 PRO 3 -9.886 -1.775 -3.047
32 HD2 PRO 3 HD2 PRO 3 -7.304 -3.207 -2.413
33 HD3 PRO 3 HD3 PRO 3 -8.317 -2.177 -1.359
34 HA PRO 4 HA PRO 4 -9.655 -8.793 -3.924
35 HB2 PRO 4 HB2 PRO 4 -9.798 -8.124 -6.875
36 HB3 PRO 4 HB3 PRO 4 -10.468 -9.544 -6.004
37 HG2 PRO 4 HG2 PRO 4 -12.086 -7.469 -6.595
38 HG3 PRO 4 HG3 PRO 4 -12.148 -8.186 -4.949
39 HD2 PRO 4 HD2 PRO 4 -10.719 -5.676 -5.859
40 HD3 PRO 4 HD3 PRO 4 -11.719 -5.943 -4.397
41 H GLY 5 H GLY 5 -7.786 -9.698 -3.595
42 HA2 GLY 5 HA2 GLY 5 -5.686 -10.549 -3.936
43 HA3 GLY 5 HA3 GLY 5 -5.569 -9.669 -5.467
44 H TRP 6 H TRP 6 -6.219 -7.181 -3.408
45 HA TRP 6 HA TRP 6 -3.412 -6.414 -3.177
46 HB2 TRP 6 HB2 TRP 6 -5.977 -5.075 -2.366
47 HB3 TRP 6 HB3 TRP 6 -4.382 -4.387 -2.040
48 HD1 TRP 6 HD1 TRP 6 -6.889 -4.932 -4.798
49 HE1 TRP 6 HE1 TRP 6 -6.185 -3.686 -6.930
50 HE3 TRP 6 HE3 TRP 6 -2.133 -3.674 -3.427
51 HZ2 TRP 6 HZ2 TRP 6 -3.772 -2.550 -7.997
52 HZ3 TRP 6 HZ3 TRP 6 -0.623 -2.547 -5.050
53 HH2 TRP 6 HH2 TRP 6 -1.421 -1.983 -7.333
54 H GLU 7 H GLU 7 -2.100 -6.318 -1.464
55 HA GLU 7 HA GLU 7 -3.099 -6.483 1.283
56 HB2 GLU 7 HB2 GLU 7 -2.892 -8.826 0.737
57 HB3 GLU 7 HB3 GLU 7 -1.309 -8.579 0.031
58 HG2 GLU 7 HG2 GLU 7 -1.198 -9.765 2.139
59 HG3 GLU 7 HG3 GLU 7 -0.284 -8.274 2.169
60 H LYS 8 H LYS 8 -1.530 -5.809 2.869
61 HA LYS 8 HA LYS 8 0.358 -3.803 1.905
62 HB2 LYS 8 HB2 LYS 8 -0.359 -4.821 4.661
63 HB3 LYS 8 HB3 LYS 8 1.039 -3.764 4.405
64 HG2 LYS 8 HG2 LYS 8 -0.363 -2.065 3.327
65 HG3 LYS 8 HG3 LYS 8 -1.781 -3.119 3.493
66 HD2 LYS 8 HD2 LYS 8 -1.899 -1.470 5.225
67 HD3 LYS 8 HD3 LYS 8 -1.493 -3.009 5.998
68 HE2 LYS 8 HE2 LYS 8 0.923 -2.313 6.041
69 HE3 LYS 8 HE3 LYS 8 0.477 -0.790 5.264
70 HZ1 LYS 8 HZ1 LYS 8 -0.489 -1.684 7.928
71 HZ2 LYS 8 HZ2 LYS 8 0.651 -0.544 7.674
72 HZ3 LYS 8 HZ3 LYS 8 -0.890 -0.270 7.210
73 H ARG 9 H ARG 9 2.469 -3.669 1.984
74 HA ARG 9 HA ARG 9 4.210 -5.979 2.644
75 HB2 ARG 9 HB2 ARG 9 3.368 -6.204 0.268
76 HB3 ARG 9 HB3 ARG 9 4.183 -4.694 -0.129
77 HG2 ARG 9 HG2 ARG 9 6.351 -5.668 0.248
78 HG3 ARG 9 HG3 ARG 9 5.661 -7.095 1.049
79 HD2 ARG 9 HD2 ARG 9 5.102 -6.403 -1.865
80 HD3 ARG 9 HD3 ARG 9 6.490 -7.381 -1.336
81 HE ARG 9 HE ARG 9 3.915 -8.334 -0.316
82 HH11 ARG 9 HH11 ARG 9 4.032 -11.207 -2.193
83 HH12 ARG 9 HH12 ARG 9 3.292 -10.393 -0.843
84 HH21 ARG 9 HH21 ARG 9 6.123 -8.624 -3.022
85 HH22 ARG 9 HH22 ARG 9 5.585 -10.240 -3.398
86 H MET 10 H MET 10 6.607 -5.279 2.358
87 HA MET 10 HA MET 10 7.061 -2.401 2.799
88 HB2 MET 10 HB2 MET 10 6.248 -3.346 4.996
89 HB3 MET 10 HB3 MET 10 7.633 -4.440 4.986
90 HG2 MET 10 HG2 MET 10 9.136 -2.391 4.926
91 HG3 MET 10 HG3 MET 10 7.684 -1.402 5.052
92 HE1 MET 10 HE1 MET 10 8.940 -4.740 6.912
93 HE2 MET 10 HE2 MET 10 10.305 -3.604 6.802
94 HE3 MET 10 HE3 MET 10 9.583 -3.980 8.382
95 H PHE 11 H PHE 11 9.022 -1.754 2.324
96 HA PHE 11 HA PHE 11 10.969 -3.517 1.104
97 HB2 PHE 11 HB2 PHE 11 10.851 -0.553 1.645
98 HB3 PHE 11 HB3 PHE 11 12.232 -1.328 0.855
99 HD1 PHE 11 HD1 PHE 11 9.098 0.261 0.316
100 HD2 PHE 11 HD2 PHE 11 11.699 -2.790 -1.279
101 HE1 PHE 11 HE1 PHE 11 8.021 0.502 -1.894
102 HE2 PHE 11 HE2 PHE 11 10.608 -2.550 -3.498
103 HZ PHE 11 HZ PHE 11 8.774 -0.896 -3.814
104 H ALA 12 H ALA 12 13.283 -3.538 1.589
105 HA ALA 12 HA ALA 12 13.850 -4.325 4.261
106 HB1 ALA 12 HB1 ALA 12 15.037 -5.139 2.255
107 HB2 ALA 12 HB2 ALA 12 15.734 -3.521 1.999
108 HB3 ALA 12 HB3 ALA 12 16.172 -4.465 3.439
109 H ASN 13 H ASN 13 13.947 -1.140 2.842
110 HA ASN 13 HA ASN 13 15.545 0.099 4.969
111 HB2 ASN 13 HB2 ASN 13 15.013 2.202 3.770
112 HB3 ASN 13 HB3 ASN 13 15.699 0.959 2.712
113 HD21 ASN 13 HD21 ASN 13 14.811 2.298 0.985
114 H GLY 14 H GLY 14 12.384 -1.049 4.973
115 HA2 GLY 14 HA2 GLY 14 10.892 -0.907 6.752
116 HA3 GLY 14 HA3 GLY 14 11.675 0.569 7.340
117 H THR 15 H THR 15 10.821 0.662 3.954
118 HA THR 15 HA THR 15 8.605 2.573 4.514
119 HB THR 15 HB THR 15 10.164 1.775 2.024
120 HG1 THR 15 HG1 THR 15 10.883 3.845 2.186
121 HG21 THR 15 HG21 THR 15 7.847 3.739 2.219
122 HG22 THR 15 HG22 THR 15 9.009 3.664 0.873
123 HG23 THR 15 HG23 THR 15 7.946 2.291 1.185
124 H VAL 16 H VAL 16 6.517 2.048 4.285
125 HA VAL 16 HA VAL 16 5.737 -0.712 3.497
126 HB VAL 16 HB VAL 16 4.361 1.560 4.978
127 HG11 VAL 16 HG11 VAL 16 2.466 0.044 5.406
128 HG12 VAL 16 HG12 VAL 16 2.565 0.484 3.706
129 HG13 VAL 16 HG13 VAL 16 3.122 -1.124 4.236
130 HG21 VAL 16 HG21 VAL 16 4.325 -0.050 6.839
131 HG22 VAL 16 HG22 VAL 16 5.092 -1.279 5.817
132 HG23 VAL 16 HG23 VAL 16 5.987 0.191 6.271
133 H TYR 17 H TYR 17 4.259 -1.166 1.927
134 HA TYR 17 HA TYR 17 2.963 0.920 0.314
135 HB2 TYR 17 HB2 TYR 17 3.926 0.230 -1.780
136 HB3 TYR 17 HB3 TYR 17 5.218 0.692 -0.710
137 HD1 TYR 17 HD1 TYR 17 6.618 -1.141 0.431
138 HD2 TYR 17 HD2 TYR 17 3.916 -1.905 -2.851
139 HE1 TYR 17 HE1 TYR 17 7.924 -3.165 -0.181
140 HE2 TYR 17 HE2 TYR 17 5.205 -3.952 -3.430
141 HH TYR 17 HH TYR 17 8.250 -4.775 -1.768
142 H TYR 18 H TYR 18 1.796 -0.365 -1.579
143 HA TYR 18 HA TYR 18 0.419 -2.738 -0.406
144 HB2 TYR 18 HB2 TYR 18 -0.673 -0.543 -2.192
145 HB3 TYR 18 HB3 TYR 18 -1.548 -2.000 -1.701
146 HD1 TYR 18 HD1 TYR 18 -0.126 1.217 -0.525
147 HD2 TYR 18 HD2 TYR 18 -2.439 -2.262 0.556
148 HE1 TYR 18 HE1 TYR 18 -0.763 2.311 1.618
149 HE2 TYR 18 HE2 TYR 18 -3.109 -1.143 2.686
150 HH TYR 18 HH TYR 18 -1.909 2.095 3.582
151 H PHE 19 H PHE 19 0.173 -4.556 -1.596
152 HA PHE 19 HA PHE 19 1.130 -4.581 -4.420
153 HB2 PHE 19 HB2 PHE 19 3.057 -5.097 -3.097
154 HB3 PHE 19 HB3 PHE 19 2.164 -6.312 -2.170
155 HD1 PHE 19 HD1 PHE 19 3.352 -5.412 -5.561
156 HD2 PHE 19 HD2 PHE 19 1.912 -8.593 -3.035
157 HE1 PHE 19 HE1 PHE 19 3.835 -7.021 -7.346
158 HE2 PHE 19 HE2 PHE 19 2.480 -10.242 -4.805
159 HZ PHE 19 HZ PHE 19 3.439 -9.474 -6.969
160 H ASN 20 H ASN 20 0.123 -5.920 -5.806
161 HA ASN 20 HA ASN 20 -2.197 -7.431 -4.729
162 HB2 ASN 20 HB2 ASN 20 -2.476 -5.592 -6.441
163 HB3 ASN 20 HB3 ASN 20 -1.665 -6.652 -7.606
164 HD21 ASN 20 HD21 ASN 20 -4.647 -5.676 -6.723
165 HD22 ASN 20 HD22 ASN 20 -5.563 -7.152 -6.981
166 H HIS 21 H HIS 21 -1.897 -9.556 -4.405
167 HA HIS 21 HA HIS 21 0.351 -10.957 -5.625
168 HB2 HIS 21 HB2 HIS 21 0.045 -12.546 -4.059
169 HB3 HIS 21 HB3 HIS 21 -0.719 -11.194 -3.227
170 HD2 HIS 21 HD2 HIS 21 -3.468 -11.318 -2.985
171 HE1 HIS 21 HE1 HIS 21 -3.811 -15.437 -4.020
172 HE2 HIS 21 HE2 HIS 21 -5.016 -13.444 -2.991
173 H ILE 22 H ILE 22 -2.920 -10.531 -6.597
174 HA ILE 22 HA ILE 22 -3.115 -12.970 -8.238
175 HB ILE 22 HB ILE 22 -4.889 -10.506 -7.999
176 HG12 ILE 22 HG12 ILE 22 -4.697 -11.796 -5.854
177 HG13 ILE 22 HG13 ILE 22 -6.321 -11.705 -6.514
178 HG21 ILE 22 HG21 ILE 22 -5.403 -13.149 -9.389
179 HG22 ILE 22 HG22 ILE 22 -6.665 -11.959 -8.988
180 HG23 ILE 22 HG23 ILE 22 -5.365 -11.524 -10.099
181 HD11 ILE 22 HD11 ILE 22 -4.471 -14.118 -6.711
182 HD12 ILE 22 HD12 ILE 22 -5.834 -13.909 -5.591
183 HD13 ILE 22 HD13 ILE 22 -6.143 -14.034 -7.325
184 H THR 23 H THR 23 -2.621 -9.485 -8.682
185 HA THR 23 HA THR 23 -2.270 -9.835 -11.609
186 HB THR 23 HB THR 23 -3.036 -7.666 -11.943
187 HG1 THR 23 HG1 THR 23 -3.580 -6.544 -9.812
188 HG21 THR 23 HG21 THR 23 -4.709 -8.571 -9.560
189 HG22 THR 23 HG22 THR 23 -5.194 -7.516 -10.901
190 HG23 THR 23 HG23 THR 23 -4.867 -9.230 -11.205
191 H ASN 24 H ASN 24 -0.285 -9.283 -8.973
192 HA ASN 24 HA ASN 24 1.778 -8.584 -8.616
193 HB2 ASN 24 HB2 ASN 24 2.237 -8.859 -11.602
194 HB3 ASN 24 HB3 ASN 24 3.490 -8.697 -10.364
195 HD21 ASN 24 HD21 ASN 24 1.922 -10.970 -12.213
196 HD22 ASN 24 HD22 ASN 24 2.215 -12.361 -11.166
197 H ALA 25 H ALA 25 -0.413 -6.541 -9.554
198 HA ALA 25 HA ALA 25 1.112 -4.175 -10.226
199 HB1 ALA 25 HB1 ALA 25 -1.633 -4.478 -8.937
200 HB2 ALA 25 HB2 ALA 25 -0.976 -3.004 -9.678
201 HB3 ALA 25 HB3 ALA 25 -1.305 -4.426 -10.685
202 H SER 26 H SER 26 1.511 -2.329 -8.845
203 HA SER 26 HA SER 26 1.520 -2.764 -5.924
204 HB2 SER 26 HB2 SER 26 3.810 -1.970 -5.671
205 HB3 SER 26 HB3 SER 26 3.726 -3.494 -6.556
206 HG SER 26 HG SER 26 5.155 -2.033 -7.552
207 H GLN 27 H GLN 27 1.507 -0.868 -4.670
208 HA GLN 27 HA GLN 27 1.533 1.786 -5.978
209 HB2 GLN 27 HB2 GLN 27 -0.877 0.655 -4.491
210 HB3 GLN 27 HB3 GLN 27 -0.552 2.387 -4.645
211 HG2 GLN 27 HG2 GLN 27 -0.585 2.215 -7.086
212 HG3 GLN 27 HG3 GLN 27 -1.023 0.499 -6.962
213 HE21 GLN 27 HE21 GLN 27 -2.556 2.523 -4.497
214 HE22 GLN 27 HE22 GLN 27 -4.057 2.736 -5.402
215 H PHE 28 H PHE 28 2.251 3.415 -4.711
216 HA PHE 28 HA PHE 28 3.058 2.844 -1.955
217 HB2 PHE 28 HB2 PHE 28 3.446 5.216 -3.756
218 HB3 PHE 28 HB3 PHE 28 3.779 5.293 -2.025
219 HD1 PHE 28 HD1 PHE 28 5.550 3.930 -0.967
220 HD2 PHE 28 HD2 PHE 28 4.943 3.947 -5.239
221 HE1 PHE 28 HE1 PHE 28 7.821 2.977 -1.298
222 HE2 PHE 28 HE2 PHE 28 7.208 2.979 -5.563
223 HZ PHE 28 HZ PHE 28 8.653 2.501 -3.595
224 H GLU 29 H GLU 29 0.241 4.054 -3.383
225 HA GLU 29 HA GLU 29 -0.782 5.161 -0.801
226 HB2 GLU 29 HB2 GLU 29 -0.668 6.771 -2.633
227 HB3 GLU 29 HB3 GLU 29 -1.652 5.712 -3.660
228 HG2 GLU 29 HG2 GLU 29 -3.571 5.970 -2.171
229 HG3 GLU 29 HG3 GLU 29 -2.591 6.863 -1.002
230 H ARG 30 H ARG 30 -2.755 4.464 -0.007
231 HA ARG 30 HA ARG 30 -3.351 1.739 -0.277
232 HB2 ARG 30 HB2 ARG 30 -3.724 2.986 1.730
233 HB3 ARG 30 HB3 ARG 30 -4.932 4.010 0.974
234 HG2 ARG 30 HG2 ARG 30 -5.395 1.027 0.966
235 HG3 ARG 30 HG3 ARG 30 -5.547 1.882 2.507
236 HD2 ARG 30 HD2 ARG 30 -7.456 2.985 1.922
237 HD3 ARG 30 HD3 ARG 30 -6.956 3.204 0.253
238 HE ARG 30 HE ARG 30 -7.956 1.254 -0.391
239 HH11 ARG 30 HH11 ARG 30 -7.857 1.081 3.129
240 HH12 ARG 30 HH12 ARG 30 -8.922 -0.311 3.128
241 HH21 ARG 30 HH21 ARG 30 -9.416 -0.347 -0.243
242 HH22 ARG 30 HH22 ARG 30 -9.743 -1.089 1.322
243 HA PRO 31 HA PRO 31 -5.572 1.926 -4.083
244 HB2 PRO 31 HB2 PRO 31 -6.238 -0.702 -4.471
245 HB3 PRO 31 HB3 PRO 31 -4.590 -0.007 -4.586
246 HG2 PRO 31 HG2 PRO 31 -5.866 -1.392 -2.198
247 HG3 PRO 31 HG3 PRO 31 -4.267 -1.745 -2.931
248 HD2 PRO 31 HD2 PRO 31 -4.496 -0.152 -0.760
249 HD3 PRO 31 HD3 PRO 31 -3.322 0.222 -2.057
250 H SER 32 H SER 32 -7.548 2.079 -4.987
251 HA SER 32 HA SER 32 -9.697 2.727 -5.020
252 HB2 SER 32 HB2 SER 32 -10.093 0.271 -4.812
253 HB3 SER 32 HB3 SER 32 -10.298 0.494 -3.063
254 HG SER 32 HG SER 32 -11.964 2.010 -3.573
255 H GLY 33 H GLY 33 -7.780 3.584 -2.768
256 HA2 GLY 33 HA2 GLY 33 -9.283 4.515 -0.510
257 HA3 GLY 33 HA3 GLY 33 -7.743 5.163 -1.075
258 H1 GAL 101 H1 GAL 34 11.983 1.515 0.438
259 H2 GAL 101 H2 GAL 34 13.449 3.978 -0.652
260 H3 GAL 101 H3 GAL 34 10.611 2.920 -1.109
261 H4 GAL 101 H4 GAL 34 11.313 2.423 -3.398
262 H5 GAL 101 H5 GAL 34 11.697 0.609 -1.836
263 H61 GAL 101 H61 GAL 34 12.567 0.062 -4.037
264 H62 GAL 101 H62 GAL 34 14.094 0.907 -3.696
265 HO2 GAL 101 H2O GAL 34 12.711 4.509 1.347
266 HO3 GAL 101 H3O GAL 34 10.971 5.255 -1.183
267 HO4 GAL 101 H4O GAL 34 12.887 4.185 -3.380
268 HO6 GAL 101 H6O GAL 34 14.221 -0.561 -1.813
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -11.053 -4.677 4.285
2 H2 LYS 1 H2 LYS 1 -10.317 -5.489 5.493
3 H3 LYS 1 H3 LYS 1 -10.035 -5.912 3.938
4 HA LYS 1 HA LYS 1 -9.281 -3.359 5.217
5 HB2 LYS 1 HB2 LYS 1 -7.419 -5.543 4.206
6 HB3 LYS 1 HB3 LYS 1 -6.954 -3.993 4.911
7 HG2 LYS 1 HG2 LYS 1 -8.089 -4.762 7.065
8 HG3 LYS 1 HG3 LYS 1 -8.223 -6.365 6.320
9 HD2 LYS 1 HD2 LYS 1 -5.681 -4.806 6.942
10 HD3 LYS 1 HD3 LYS 1 -6.227 -6.307 7.700
11 HE2 LYS 1 HE2 LYS 1 -5.919 -7.513 5.537
12 HE3 LYS 1 HE3 LYS 1 -5.409 -6.003 4.772
13 HZ1 LYS 1 HZ1 LYS 1 -3.469 -7.162 5.342
14 HZ2 LYS 1 HZ2 LYS 1 -3.561 -5.940 6.414
15 HZ3 LYS 1 HZ3 LYS 1 -3.954 -7.459 6.887
16 H LEU 2 H LEU 2 -8.376 -5.275 2.329
17 HA LEU 2 HA LEU 2 -8.156 -2.777 0.724
18 HB2 LEU 2 HB2 LEU 2 -6.450 -5.287 0.849
19 HB3 LEU 2 HB3 LEU 2 -6.230 -4.011 -0.355
20 HG LEU 2 HG LEU 2 -6.054 -3.375 2.608
21 HD11 LEU 2 HD11 LEU 2 -4.445 -5.153 2.165
22 HD12 LEU 2 HD12 LEU 2 -3.821 -4.266 0.751
23 HD13 LEU 2 HD13 LEU 2 -3.619 -3.605 2.392
24 HD21 LEU 2 HD21 LEU 2 -4.751 -1.483 1.822
25 HD22 LEU 2 HD22 LEU 2 -4.795 -2.096 0.155
26 HD23 LEU 2 HD23 LEU 2 -6.280 -1.501 0.933
27 HA PRO 3 HA PRO 3 -10.655 -4.593 -2.418
28 HB2 PRO 3 HB2 PRO 3 -8.794 -3.880 -4.618
29 HB3 PRO 3 HB3 PRO 3 -10.442 -3.277 -4.286
30 HG2 PRO 3 HG2 PRO 3 -8.201 -1.738 -3.889
31 HG3 PRO 3 HG3 PRO 3 -9.655 -1.610 -2.838
32 HD2 PRO 3 HD2 PRO 3 -7.105 -3.163 -2.364
33 HD3 PRO 3 HD3 PRO 3 -7.971 -2.068 -1.248
34 HA PRO 4 HA PRO 4 -9.711 -8.664 -3.517
35 HB2 PRO 4 HB2 PRO 4 -10.146 -8.118 -6.462
36 HB3 PRO 4 HB3 PRO 4 -10.760 -9.476 -5.462
37 HG2 PRO 4 HG2 PRO 4 -12.374 -7.378 -5.992
38 HG3 PRO 4 HG3 PRO 4 -12.294 -8.022 -4.317
39 HD2 PRO 4 HD2 PRO 4 -10.894 -5.597 -5.472
40 HD3 PRO 4 HD3 PRO 4 -11.758 -5.772 -3.912
41 H GLY 5 H GLY 5 -7.825 -9.614 -3.371
42 HA2 GLY 5 HA2 GLY 5 -5.808 -10.551 -4.041
43 HA3 GLY 5 HA3 GLY 5 -5.778 -9.500 -5.467
44 H TRP 6 H TRP 6 -6.201 -7.159 -3.305
45 HA TRP 6 HA TRP 6 -3.358 -6.531 -3.150
46 HB2 TRP 6 HB2 TRP 6 -5.826 -5.099 -2.212
47 HB3 TRP 6 HB3 TRP 6 -4.190 -4.485 -1.958
48 HD1 TRP 6 HD1 TRP 6 -6.841 -4.892 -4.615
49 HE1 TRP 6 HE1 TRP 6 -6.257 -3.464 -6.670
50 HE3 TRP 6 HE3 TRP 6 -2.007 -3.767 -3.419
51 HZ2 TRP 6 HZ2 TRP 6 -3.885 -2.227 -7.771
52 HZ3 TRP 6 HZ3 TRP 6 -0.578 -2.508 -5.025
53 HH2 TRP 6 HH2 TRP 6 -1.501 -1.735 -7.193
54 H GLU 7 H GLU 7 -1.991 -6.479 -1.456
55 HA GLU 7 HA GLU 7 -2.952 -6.634 1.317
56 HB2 GLU 7 HB2 GLU 7 -2.717 -9.004 0.580
57 HB3 GLU 7 HB3 GLU 7 -1.033 -8.701 0.175
58 HG2 GLU 7 HG2 GLU 7 -1.285 -9.879 2.315
59 HG3 GLU 7 HG3 GLU 7 -0.488 -8.333 2.531
60 H LYS 8 H LYS 8 -1.315 -6.054 2.881
61 HA LYS 8 HA LYS 8 0.503 -3.979 1.996
62 HB2 LYS 8 HB2 LYS 8 -0.107 -5.229 4.682
63 HB3 LYS 8 HB3 LYS 8 1.269 -4.135 4.476
64 HG2 LYS 8 HG2 LYS 8 -0.193 -2.374 3.577
65 HG3 LYS 8 HG3 LYS 8 -1.594 -3.454 3.726
66 HD2 LYS 8 HD2 LYS 8 -1.622 -1.923 5.580
67 HD3 LYS 8 HD3 LYS 8 -1.215 -3.528 6.209
68 HE2 LYS 8 HE2 LYS 8 1.200 -2.889 6.236
69 HE3 LYS 8 HE3 LYS 8 0.785 -1.303 5.575
70 HZ1 LYS 8 HZ1 LYS 8 -0.508 -0.876 7.596
71 HZ2 LYS 8 HZ2 LYS 8 -0.131 -2.346 8.203
72 HZ3 LYS 8 HZ3 LYS 8 1.037 -1.226 7.988
73 H ARG 9 H ARG 9 2.588 -3.775 2.010
74 HA ARG 9 HA ARG 9 4.467 -6.025 2.551
75 HB2 ARG 9 HB2 ARG 9 4.460 -4.297 0.046
76 HB3 ARG 9 HB3 ARG 9 5.716 -5.461 0.470
77 HG2 ARG 9 HG2 ARG 9 2.842 -6.126 -0.250
78 HG3 ARG 9 HG3 ARG 9 4.265 -6.290 -1.293
79 HD2 ARG 9 HD2 ARG 9 5.277 -7.921 0.208
80 HD3 ARG 9 HD3 ARG 9 3.917 -7.799 1.332
81 HE ARG 9 HE ARG 9 3.952 -9.093 -1.343
82 HH11 ARG 9 HH11 ARG 9 2.538 -10.755 -1.657
83 HH12 ARG 9 HH12 ARG 9 1.215 -11.001 -0.554
84 HH21 ARG 9 HH21 ARG 9 1.997 -8.364 1.500
85 HH22 ARG 9 HH22 ARG 9 0.971 -9.749 1.219
86 H MET 10 H MET 10 6.768 -5.191 2.543
87 HA MET 10 HA MET 10 7.130 -2.331 2.998
88 HB2 MET 10 HB2 MET 10 6.292 -3.207 5.217
89 HB3 MET 10 HB3 MET 10 7.709 -4.259 5.280
90 HG2 MET 10 HG2 MET 10 9.154 -2.175 5.149
91 HG3 MET 10 HG3 MET 10 7.675 -1.219 5.192
92 HE1 MET 10 HE1 MET 10 8.970 -4.421 7.254
93 HE2 MET 10 HE2 MET 10 10.310 -3.259 7.110
94 HE3 MET 10 HE3 MET 10 9.563 -3.569 8.693
95 H PHE 11 H PHE 11 9.079 -1.677 2.480
96 HA PHE 11 HA PHE 11 11.095 -3.458 1.409
97 HB2 PHE 11 HB2 PHE 11 10.894 -0.477 1.793
98 HB3 PHE 11 HB3 PHE 11 12.319 -1.252 1.085
99 HD1 PHE 11 HD1 PHE 11 11.886 -2.822 -0.998
100 HD2 PHE 11 HD2 PHE 11 9.168 0.229 0.388
101 HE1 PHE 11 HE1 PHE 11 10.856 -2.699 -3.258
102 HE2 PHE 11 HE2 PHE 11 8.155 0.355 -1.859
103 HZ PHE 11 HZ PHE 11 8.997 -1.103 -3.697
104 H ALA 12 H ALA 12 13.403 -3.381 1.951
105 HA ALA 12 HA ALA 12 13.917 -4.028 4.670
106 HB1 ALA 12 HB1 ALA 12 15.840 -3.274 2.424
107 HB2 ALA 12 HB2 ALA 12 16.264 -4.139 3.916
108 HB3 ALA 12 HB3 ALA 12 15.180 -4.898 2.737
109 H ASN 13 H ASN 13 13.961 -0.908 3.115
110 HA ASN 13 HA ASN 13 15.473 0.476 5.212
111 HB2 ASN 13 HB2 ASN 13 14.880 2.505 3.914
112 HB3 ASN 13 HB3 ASN 13 15.635 1.247 2.924
113 HD21 ASN 13 HD21 ASN 13 14.702 2.549 1.161
114 H GLY 14 H GLY 14 12.347 -0.774 5.205
115 HA2 GLY 14 HA2 GLY 14 10.793 -0.590 6.927
116 HA3 GLY 14 HA3 GLY 14 11.522 0.928 7.475
117 H THR 15 H THR 15 10.798 0.851 4.063
118 HA THR 15 HA THR 15 8.529 2.741 4.444
119 HB THR 15 HB THR 15 10.192 1.857 2.053
120 HG1 THR 15 HG1 THR 15 10.931 3.923 2.171
121 HG21 THR 15 HG21 THR 15 9.063 3.684 0.784
122 HG22 THR 15 HG22 THR 15 8.007 2.313 1.120
123 HG23 THR 15 HG23 THR 15 7.857 3.805 2.085
124 H VAL 16 H VAL 16 6.457 2.192 4.104
125 HA VAL 16 HA VAL 16 5.764 -0.632 3.501
126 HB VAL 16 HB VAL 16 4.246 1.715 4.697
127 HG11 VAL 16 HG11 VAL 16 2.569 0.382 3.500
128 HG12 VAL 16 HG12 VAL 16 3.191 -1.109 4.250
129 HG13 VAL 16 HG13 VAL 16 2.419 0.152 5.237
130 HG21 VAL 16 HG21 VAL 16 4.254 0.329 6.735
131 HG22 VAL 16 HG22 VAL 16 5.138 -0.952 5.881
132 HG23 VAL 16 HG23 VAL 16 5.909 0.621 6.185
133 H TYR 17 H TYR 17 4.349 -1.255 1.913
134 HA TYR 17 HA TYR 17 3.094 0.686 0.100
135 HB2 TYR 17 HB2 TYR 17 4.067 -0.179 -1.922
136 HB3 TYR 17 HB3 TYR 17 5.341 0.391 -0.885
137 HD1 TYR 17 HD1 TYR 17 6.797 -1.286 0.370
138 HD2 TYR 17 HD2 TYR 17 4.042 -2.452 -2.750
139 HE1 TYR 17 HE1 TYR 17 8.131 -3.348 -0.056
140 HE2 TYR 17 HE2 TYR 17 5.368 -4.499 -3.161
141 HH TYR 17 HH TYR 17 7.257 -5.671 -2.626
142 H TYR 18 H TYR 18 1.952 -0.721 -1.707
143 HA TYR 18 HA TYR 18 0.601 -3.069 -0.435
144 HB2 TYR 18 HB2 TYR 18 -0.604 -0.924 -2.225
145 HB3 TYR 18 HB3 TYR 18 -1.448 -2.317 -1.534
146 HD1 TYR 18 HD1 TYR 18 -1.966 -2.424 0.887
147 HD2 TYR 18 HD2 TYR 18 -0.087 1.041 -0.863
148 HE1 TYR 18 HE1 TYR 18 -2.496 -1.104 2.931
149 HE2 TYR 18 HE2 TYR 18 -0.577 2.349 1.199
150 HH TYR 18 HH TYR 18 -2.321 0.913 3.976
151 H PHE 19 H PHE 19 0.206 -4.820 -1.720
152 HA PHE 19 HA PHE 19 1.075 -4.782 -4.578
153 HB2 PHE 19 HB2 PHE 19 2.998 -5.456 -3.289
154 HB3 PHE 19 HB3 PHE 19 2.035 -6.668 -2.423
155 HD1 PHE 19 HD1 PHE 19 3.181 -5.659 -5.800
156 HD2 PHE 19 HD2 PHE 19 1.769 -8.907 -3.347
157 HE1 PHE 19 HE1 PHE 19 3.627 -7.211 -7.639
158 HE2 PHE 19 HE2 PHE 19 2.309 -10.504 -5.171
159 HZ PHE 19 HZ PHE 19 3.232 -9.676 -7.326
160 H ASN 20 H ASN 20 -0.129 -5.953 -5.957
161 HA ASN 20 HA ASN 20 -2.393 -7.512 -4.833
162 HB2 ASN 20 HB2 ASN 20 -2.766 -5.623 -6.478
163 HB3 ASN 20 HB3 ASN 20 -2.000 -6.644 -7.707
164 HD21 ASN 20 HD21 ASN 20 -5.862 -7.240 -6.799
165 HD22 ASN 20 HD22 ASN 20 -4.957 -5.767 -6.477
166 H HIS 21 H HIS 21 -2.124 -9.651 -4.634
167 HA HIS 21 HA HIS 21 0.111 -11.009 -5.887
168 HB2 HIS 21 HB2 HIS 21 -0.323 -12.732 -4.469
169 HB3 HIS 21 HB3 HIS 21 -1.022 -11.393 -3.559
170 HD2 HIS 21 HD2 HIS 21 -3.634 -11.531 -3.031
171 HE1 HIS 21 HE1 HIS 21 -4.433 -15.273 -4.907
172 HE2 HIS 21 HE2 HIS 21 -5.376 -13.477 -3.370
173 H ILE 22 H ILE 22 -3.196 -10.579 -6.880
174 HA ILE 22 HA ILE 22 -3.316 -12.930 -8.624
175 HB ILE 22 HB ILE 22 -5.177 -10.522 -8.416
176 HG12 ILE 22 HG12 ILE 22 -5.270 -13.182 -6.908
177 HG13 ILE 22 HG13 ILE 22 -4.961 -11.588 -6.204
178 HG21 ILE 22 HG21 ILE 22 -5.465 -11.860 -10.479
179 HG22 ILE 22 HG22 ILE 22 -5.663 -13.329 -9.497
180 HG23 ILE 22 HG23 ILE 22 -6.855 -12.010 -9.424
181 HD11 ILE 22 HD11 ILE 22 -7.268 -10.875 -6.909
182 HD12 ILE 22 HD12 ILE 22 -7.588 -12.575 -7.345
183 HD13 ILE 22 HD13 ILE 22 -7.194 -12.149 -5.674
184 H THR 23 H THR 23 -2.894 -9.425 -8.954
185 HA THR 23 HA THR 23 -2.556 -9.655 -11.893
186 HB THR 23 HB THR 23 -3.273 -7.445 -12.106
187 HG1 THR 23 HG1 THR 23 -3.800 -6.447 -9.910
188 HG21 THR 23 HG21 THR 23 -5.121 -9.039 -11.443
189 HG22 THR 23 HG22 THR 23 -4.955 -8.451 -9.773
190 HG23 THR 23 HG23 THR 23 -5.432 -7.334 -11.067
191 H ASN 24 H ASN 24 -0.547 -9.277 -9.248
192 HA ASN 24 HA ASN 24 1.530 -8.632 -8.863
193 HB2 ASN 24 HB2 ASN 24 1.976 -8.787 -11.861
194 HB3 ASN 24 HB3 ASN 24 3.235 -8.706 -10.621
195 HD21 ASN 24 HD21 ASN 24 1.579 -10.859 -12.553
196 HD22 ASN 24 HD22 ASN 24 1.862 -12.303 -11.573
197 H ALA 25 H ALA 25 -0.624 -6.512 -9.660
198 HA ALA 25 HA ALA 25 0.912 -4.150 -10.298
199 HB1 ALA 25 HB1 ALA 25 -1.532 -4.326 -10.629
200 HB2 ALA 25 HB2 ALA 25 -1.763 -4.446 -8.868
201 HB3 ALA 25 HB3 ALA 25 -1.112 -2.958 -9.582
202 H SER 26 H SER 26 1.525 -2.420 -8.902
203 HA SER 26 HA SER 26 1.572 -2.898 -5.994
204 HB2 SER 26 HB2 SER 26 3.909 -2.183 -5.768
205 HB3 SER 26 HB3 SER 26 3.737 -3.738 -6.571
206 HG SER 26 HG SER 26 4.139 -2.762 -8.537
207 H GLN 27 H GLN 27 1.687 -1.007 -4.722
208 HA GLN 27 HA GLN 27 1.911 1.635 -5.978
209 HB2 GLN 27 HB2 GLN 27 -0.713 0.416 -5.406
210 HB3 GLN 27 HB3 GLN 27 -0.484 1.886 -4.485
211 HG2 GLN 27 HG2 GLN 27 -0.164 1.697 -7.500
212 HG3 GLN 27 HG3 GLN 27 -1.603 2.253 -6.655
213 HE21 GLN 27 HE21 GLN 27 -0.640 4.013 -8.442
214 HE22 GLN 27 HE22 GLN 27 0.203 5.327 -7.612
215 H PHE 28 H PHE 28 2.300 3.295 -4.571
216 HA PHE 28 HA PHE 28 3.043 2.612 -1.793
217 HB2 PHE 28 HB2 PHE 28 3.460 5.080 -3.487
218 HB3 PHE 28 HB3 PHE 28 3.793 5.023 -1.753
219 HD1 PHE 28 HD1 PHE 28 4.953 3.952 -5.068
220 HD2 PHE 28 HD2 PHE 28 5.595 3.598 -0.816
221 HE1 PHE 28 HE1 PHE 28 7.228 3.043 -5.485
222 HE2 PHE 28 HE2 PHE 28 7.876 2.710 -1.242
223 HZ PHE 28 HZ PHE 28 8.695 2.428 -3.571
224 H GLU 29 H GLU 29 0.530 4.309 -3.520
225 HA GLU 29 HA GLU 29 -0.749 5.406 -1.095
226 HB2 GLU 29 HB2 GLU 29 -0.738 6.648 -3.210
227 HB3 GLU 29 HB3 GLU 29 -1.597 5.324 -4.019
228 HG2 GLU 29 HG2 GLU 29 -3.563 5.681 -2.612
229 HG3 GLU 29 HG3 GLU 29 -2.698 6.876 -1.641
230 H ARG 30 H ARG 30 -2.687 4.633 -0.182
231 HA ARG 30 HA ARG 30 -3.144 1.830 -0.253
232 HB2 ARG 30 HB2 ARG 30 -3.566 3.092 1.696
233 HB3 ARG 30 HB3 ARG 30 -4.772 4.105 0.911
234 HG2 ARG 30 HG2 ARG 30 -5.206 1.111 0.990
235 HG3 ARG 30 HG3 ARG 30 -5.427 2.039 2.480
236 HD2 ARG 30 HD2 ARG 30 -7.340 3.048 1.789
237 HD3 ARG 30 HD3 ARG 30 -6.775 3.256 0.141
238 HE ARG 30 HE ARG 30 -7.723 1.272 -0.511
239 HH11 ARG 30 HH11 ARG 30 -9.597 -1.013 1.187
240 HH12 ARG 30 HH12 ARG 30 -9.201 -0.309 -0.375
241 HH21 ARG 30 HH21 ARG 30 -7.671 1.114 3.010
242 HH22 ARG 30 HH22 ARG 30 -8.690 -0.316 2.990
243 HA PRO 31 HA PRO 31 -5.234 1.767 -4.140
244 HB2 PRO 31 HB2 PRO 31 -5.818 -0.902 -4.388
245 HB3 PRO 31 HB3 PRO 31 -4.152 -0.243 -4.461
246 HG2 PRO 31 HG2 PRO 31 -5.580 -1.404 -2.042
247 HG3 PRO 31 HG3 PRO 31 -3.956 -1.837 -2.670
248 HD2 PRO 31 HD2 PRO 31 -4.213 -0.079 -0.656
249 HD3 PRO 31 HD3 PRO 31 -3.030 0.215 -1.964
250 H SER 32 H SER 32 -7.215 1.949 -5.051
251 HA SER 32 HA SER 32 -9.646 1.496 -3.396
252 HB2 SER 32 HB2 SER 32 -10.731 2.985 -5.020
253 HB3 SER 32 HB3 SER 32 -9.321 3.738 -4.255
254 HG SER 32 HG SER 32 -9.362 4.062 -6.525
255 H GLY 33 H GLY 33 -8.035 0.137 -6.161
256 HA2 GLY 33 HA2 GLY 33 -9.684 -2.150 -6.408
257 HA3 GLY 33 HA3 GLY 33 -10.250 -0.976 -7.597
258 H1 GAL 101 H1 GAL 34 11.896 1.692 0.582
259 H2 GAL 101 H2 GAL 34 13.491 4.068 -0.516
260 H3 GAL 101 H3 GAL 34 10.698 3.114 -1.327
261 H4 GAL 101 H4 GAL 34 11.679 2.453 -3.483
262 H5 GAL 101 H5 GAL 34 11.637 0.751 -1.714
263 H61 GAL 101 H61 GAL 34 13.260 -0.829 -2.519
264 H62 GAL 101 H62 GAL 34 12.729 0.137 -3.912
265 HO2 GAL 101 H2O GAL 34 11.626 5.211 0.268
266 HO3 GAL 101 H3O GAL 34 12.360 4.937 -2.716
267 HO4 GAL 101 H4O GAL 34 14.166 2.422 -3.351
268 HO6 GAL 101 H6O GAL 34 15.098 0.496 -2.344
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 -10.858 -5.588 3.381
2 H2 LYS 1 H2 LYS 1 -12.069 -5.025 4.325
3 H3 LYS 1 H3 LYS 1 -12.184 -4.910 2.702
4 HA LYS 1 HA LYS 1 -11.713 -2.786 3.632
5 HB2 LYS 1 HB2 LYS 1 -9.568 -2.305 4.726
6 HB3 LYS 1 HB3 LYS 1 -10.659 -3.313 5.662
7 HG2 LYS 1 HG2 LYS 1 -9.313 -5.325 5.124
8 HG3 LYS 1 HG3 LYS 1 -8.195 -4.325 4.174
9 HD2 LYS 1 HD2 LYS 1 -7.701 -2.962 6.190
10 HD3 LYS 1 HD3 LYS 1 -8.740 -4.014 7.157
11 HE2 LYS 1 HE2 LYS 1 -6.261 -4.913 5.610
12 HE3 LYS 1 HE3 LYS 1 -6.286 -4.513 7.330
13 HZ1 LYS 1 HZ1 LYS 1 -7.877 -6.327 7.670
14 HZ2 LYS 1 HZ2 LYS 1 -7.823 -6.728 6.084
15 HZ3 LYS 1 HZ3 LYS 1 -6.494 -6.889 7.016
16 H LEU 2 H LEU 2 -8.899 -4.660 2.330
17 HA LEU 2 HA LEU 2 -8.467 -2.618 0.274
18 HB2 LEU 2 HB2 LEU 2 -7.146 -5.278 0.926
19 HB3 LEU 2 HB3 LEU 2 -6.650 -4.258 -0.429
20 HG LEU 2 HG LEU 2 -6.600 -3.314 2.465
21 HD11 LEU 2 HD11 LEU 2 -4.170 -3.653 2.337
22 HD12 LEU 2 HD12 LEU 2 -5.028 -5.186 2.105
23 HD13 LEU 2 HD13 LEU 2 -4.335 -4.338 0.703
24 HD21 LEU 2 HD21 LEU 2 -5.121 -1.551 1.571
25 HD22 LEU 2 HD22 LEU 2 -5.324 -2.197 -0.070
26 HD23 LEU 2 HD23 LEU 2 -6.701 -1.470 0.794
27 HA PRO 3 HA PRO 3 -10.797 -4.628 -2.961
28 HB2 PRO 3 HB2 PRO 3 -8.721 -4.083 -4.994
29 HB3 PRO 3 HB3 PRO 3 -10.365 -3.402 -4.844
30 HG2 PRO 3 HG2 PRO 3 -8.104 -1.918 -4.349
31 HG3 PRO 3 HG3 PRO 3 -9.652 -1.662 -3.474
32 HD2 PRO 3 HD2 PRO 3 -7.237 -3.256 -2.601
33 HD3 PRO 3 HD3 PRO 3 -8.172 -2.041 -1.685
34 HA PRO 4 HA PRO 4 -9.591 -8.759 -3.455
35 HB2 PRO 4 HB2 PRO 4 -9.994 -9.528 -6.094
36 HB3 PRO 4 HB3 PRO 4 -11.272 -9.298 -4.860
37 HG2 PRO 4 HG2 PRO 4 -10.316 -7.322 -6.950
38 HG3 PRO 4 HG3 PRO 4 -12.002 -7.758 -6.511
39 HD2 PRO 4 HD2 PRO 4 -10.857 -5.531 -5.538
40 HD3 PRO 4 HD3 PRO 4 -11.877 -6.545 -4.470
41 H GLY 5 H GLY 5 -7.734 -9.769 -3.373
42 HA2 GLY 5 HA2 GLY 5 -5.660 -10.617 -3.958
43 HA3 GLY 5 HA3 GLY 5 -5.665 -9.640 -5.438
44 H TRP 6 H TRP 6 -6.233 -7.231 -3.376
45 HA TRP 6 HA TRP 6 -3.417 -6.484 -3.171
46 HB2 TRP 6 HB2 TRP 6 -5.961 -5.089 -2.392
47 HB3 TRP 6 HB3 TRP 6 -4.355 -4.424 -2.092
48 HD1 TRP 6 HD1 TRP 6 -6.803 -5.120 -4.903
49 HE1 TRP 6 HE1 TRP 6 -6.154 -3.750 -6.983
50 HE3 TRP 6 HE3 TRP 6 -2.145 -3.646 -3.427
51 HZ2 TRP 6 HZ2 TRP 6 -3.793 -2.397 -7.962
52 HZ3 TRP 6 HZ3 TRP 6 -0.677 -2.379 -4.987
53 HH2 TRP 6 HH2 TRP 6 -1.490 -1.742 -7.243
54 H GLU 7 H GLU 7 -2.122 -6.338 -1.494
55 HA GLU 7 HA GLU 7 -3.056 -6.692 1.303
56 HB2 GLU 7 HB2 GLU 7 -0.850 -8.298 -0.060
57 HB3 GLU 7 HB3 GLU 7 -1.145 -8.232 1.688
58 HG2 GLU 7 HG2 GLU 7 -3.416 -9.197 1.302
59 HG3 GLU 7 HG3 GLU 7 -3.009 -9.395 -0.411
60 H LYS 8 H LYS 8 -1.476 -5.919 2.880
61 HA LYS 8 HA LYS 8 0.255 -3.744 1.919
62 HB2 LYS 8 HB2 LYS 8 -0.435 -4.787 4.670
63 HB3 LYS 8 HB3 LYS 8 0.959 -3.724 4.420
64 HG2 LYS 8 HG2 LYS 8 -0.458 -2.028 3.335
65 HG3 LYS 8 HG3 LYS 8 -1.871 -3.084 3.524
66 HD2 LYS 8 HD2 LYS 8 -1.966 -1.424 5.249
67 HD3 LYS 8 HD3 LYS 8 -1.549 -2.961 6.026
68 HE2 LYS 8 HE2 LYS 8 0.866 -2.265 6.038
69 HE3 LYS 8 HE3 LYS 8 0.416 -0.749 5.252
70 HZ1 LYS 8 HZ1 LYS 8 -0.930 -0.208 7.208
71 HZ2 LYS 8 HZ2 LYS 8 -0.525 -1.617 7.933
72 HZ3 LYS 8 HZ3 LYS 8 0.615 -0.484 7.659
73 H ARG 9 H ARG 9 2.376 -3.569 1.995
74 HA ARG 9 HA ARG 9 4.129 -5.951 2.397
75 HB2 ARG 9 HB2 ARG 9 3.127 -5.346 -0.125
76 HB3 ARG 9 HB3 ARG 9 4.523 -4.299 -0.076
77 HG2 ARG 9 HG2 ARG 9 5.549 -6.128 -0.936
78 HG3 ARG 9 HG3 ARG 9 5.721 -6.599 0.762
79 HD2 ARG 9 HD2 ARG 9 3.731 -7.567 -1.316
80 HD3 ARG 9 HD3 ARG 9 4.954 -8.513 -0.446
81 HE ARG 9 HE ARG 9 3.085 -7.394 1.427
82 HH11 ARG 9 HH11 ARG 9 1.676 -10.686 -0.274
83 HH12 ARG 9 HH12 ARG 9 3.074 -9.934 -1.017
84 HH21 ARG 9 HH21 ARG 9 1.386 -8.401 2.237
85 HH22 ARG 9 HH22 ARG 9 0.727 -9.841 1.456
86 H MET 10 H MET 10 6.504 -5.267 2.183
87 HA MET 10 HA MET 10 7.031 -2.449 2.798
88 HB2 MET 10 HB2 MET 10 6.237 -3.471 4.966
89 HB3 MET 10 HB3 MET 10 7.609 -4.580 4.889
90 HG2 MET 10 HG2 MET 10 9.143 -2.566 4.891
91 HG3 MET 10 HG3 MET 10 7.714 -1.545 5.035
92 HE1 MET 10 HE1 MET 10 9.530 -4.238 8.322
93 HE2 MET 10 HE2 MET 10 8.860 -4.952 6.841
94 HE3 MET 10 HE3 MET 10 10.265 -3.864 6.749
95 H PHE 11 H PHE 11 8.988 -1.815 2.293
96 HA PHE 11 HA PHE 11 10.889 -3.564 0.981
97 HB2 PHE 11 HB2 PHE 11 10.862 -0.613 1.631
98 HB3 PHE 11 HB3 PHE 11 12.182 -1.402 0.762
99 HD1 PHE 11 HD1 PHE 11 11.490 -2.828 -1.373
100 HD2 PHE 11 HD2 PHE 11 9.117 0.338 0.350
101 HE1 PHE 11 HE1 PHE 11 10.361 -2.471 -3.557
102 HE2 PHE 11 HE2 PHE 11 8.019 0.706 -1.820
103 HZ PHE 11 HZ PHE 11 8.635 -0.691 -3.793
104 H ALA 12 H ALA 12 13.220 -3.595 1.411
105 HA ALA 12 HA ALA 12 13.859 -4.476 4.035
106 HB1 ALA 12 HB1 ALA 12 15.680 -3.560 1.763
107 HB2 ALA 12 HB2 ALA 12 16.163 -4.554 3.154
108 HB3 ALA 12 HB3 ALA 12 15.008 -5.196 1.972
109 H ASN 13 H ASN 13 13.916 -1.231 2.729
110 HA ASN 13 HA ASN 13 15.519 -0.091 4.912
111 HB2 ASN 13 HB2 ASN 13 15.041 2.068 3.798
112 HB3 ASN 13 HB3 ASN 13 15.728 0.856 2.707
113 HD21 ASN 13 HD21 ASN 13 14.940 2.036 0.917
114 H GLY 14 H GLY 14 12.418 -1.277 4.952
115 HA2 GLY 14 HA2 GLY 14 10.900 -1.159 6.697
116 HA3 GLY 14 HA3 GLY 14 11.698 0.288 7.339
117 H THR 15 H THR 15 10.802 0.402 3.956
118 HA THR 15 HA THR 15 8.690 2.410 4.527
119 HB THR 15 HB THR 15 10.065 1.542 1.959
120 HG1 THR 15 HG1 THR 15 11.466 2.567 3.109
121 HG21 THR 15 HG21 THR 15 7.931 2.431 1.325
122 HG22 THR 15 HG22 THR 15 8.108 3.806 2.452
123 HG23 THR 15 HG23 THR 15 9.160 3.663 1.022
124 H VAL 16 H VAL 16 6.558 1.993 4.300
125 HA VAL 16 HA VAL 16 5.701 -0.737 3.498
126 HB VAL 16 HB VAL 16 4.384 1.561 4.987
127 HG11 VAL 16 HG11 VAL 16 3.066 -1.077 4.216
128 HG12 VAL 16 HG12 VAL 16 2.438 0.102 5.391
129 HG13 VAL 16 HG13 VAL 16 2.562 0.550 3.694
130 HG21 VAL 16 HG21 VAL 16 5.036 -1.310 5.790
131 HG22 VAL 16 HG22 VAL 16 5.966 0.131 6.267
132 HG23 VAL 16 HG23 VAL 16 4.298 -0.077 6.828
133 H TYR 17 H TYR 17 4.257 -1.165 1.914
134 HA TYR 17 HA TYR 17 3.016 0.948 0.288
135 HB2 TYR 17 HB2 TYR 17 3.938 0.190 -1.808
136 HB3 TYR 17 HB3 TYR 17 5.234 0.672 -0.748
137 HD1 TYR 17 HD1 TYR 17 6.653 -1.118 0.413
138 HD2 TYR 17 HD2 TYR 17 3.930 -1.982 -2.829
139 HE1 TYR 17 HE1 TYR 17 7.979 -3.143 -0.186
140 HE2 TYR 17 HE2 TYR 17 5.239 -4.006 -3.395
141 HH TYR 17 HH TYR 17 7.158 -5.188 -2.987
142 H TYR 18 H TYR 18 1.793 -0.302 -1.596
143 HA TYR 18 HA TYR 18 0.365 -2.648 -0.419
144 HB2 TYR 18 HB2 TYR 18 -0.684 -0.466 -2.249
145 HB3 TYR 18 HB3 TYR 18 -1.582 -1.890 -1.709
146 HD1 TYR 18 HD1 TYR 18 -2.362 -2.115 0.622
147 HD2 TYR 18 HD2 TYR 18 -0.228 1.390 -0.714
148 HE1 TYR 18 HE1 TYR 18 -3.048 -0.896 2.691
149 HE2 TYR 18 HE2 TYR 18 -0.894 2.593 1.360
150 HH TYR 18 HH TYR 18 -2.022 2.462 3.339
151 H PHE 19 H PHE 19 0.045 -4.439 -1.646
152 HA PHE 19 HA PHE 19 1.052 -4.498 -4.452
153 HB2 PHE 19 HB2 PHE 19 2.967 -4.962 -3.053
154 HB3 PHE 19 HB3 PHE 19 2.059 -6.192 -2.160
155 HD1 PHE 19 HD1 PHE 19 3.250 -5.263 -5.552
156 HD2 PHE 19 HD2 PHE 19 2.012 -8.490 -2.975
157 HE1 PHE 19 HE1 PHE 19 3.891 -6.871 -7.289
158 HE2 PHE 19 HE2 PHE 19 2.742 -10.129 -4.695
159 HZ PHE 19 HZ PHE 19 3.677 -9.337 -6.860
160 H ASN 20 H ASN 20 -0.058 -5.780 -5.805
161 HA ASN 20 HA ASN 20 -2.238 -7.441 -4.671
162 HB2 ASN 20 HB2 ASN 20 -2.665 -5.700 -6.454
163 HB3 ASN 20 HB3 ASN 20 -1.770 -6.736 -7.577
164 HD21 ASN 20 HD21 ASN 20 -5.623 -7.541 -6.870
165 HD22 ASN 20 HD22 ASN 20 -4.840 -5.993 -6.581
166 H HIS 21 H HIS 21 -1.837 -9.537 -4.311
167 HA HIS 21 HA HIS 21 0.564 -10.798 -5.356
168 HB2 HIS 21 HB2 HIS 21 0.163 -12.489 -3.860
169 HB3 HIS 21 HB3 HIS 21 -0.570 -11.105 -3.049
170 HD2 HIS 21 HD2 HIS 21 -3.202 -11.237 -2.573
171 HE1 HIS 21 HE1 HIS 21 -3.864 -15.167 -4.078
172 HE2 HIS 21 HE2 HIS 21 -4.882 -13.257 -2.739
173 H ILE 22 H ILE 22 -2.676 -10.643 -6.552
174 HA ILE 22 HA ILE 22 -2.544 -13.117 -8.133
175 HB ILE 22 HB ILE 22 -4.637 -10.899 -8.131
176 HG12 ILE 22 HG12 ILE 22 -4.430 -13.379 -6.360
177 HG13 ILE 22 HG13 ILE 22 -4.403 -11.690 -5.834
178 HG21 ILE 22 HG21 ILE 22 -4.723 -12.450 -10.064
179 HG22 ILE 22 HG22 ILE 22 -4.809 -13.831 -8.946
180 HG23 ILE 22 HG23 ILE 22 -6.125 -12.634 -9.029
181 HD11 ILE 22 HD11 ILE 22 -6.794 -13.212 -6.897
182 HD12 ILE 22 HD12 ILE 22 -6.525 -12.551 -5.277
183 HD13 ILE 22 HD13 ILE 22 -6.768 -11.446 -6.648
184 H THR 23 H THR 23 -2.450 -9.606 -8.646
185 HA THR 23 HA THR 23 -1.983 -9.963 -11.555
186 HB THR 23 HB THR 23 -2.897 -7.856 -11.930
187 HG1 THR 23 HG1 THR 23 -3.589 -6.791 -9.799
188 HG21 THR 23 HG21 THR 23 -4.554 -8.861 -9.580
189 HG22 THR 23 HG22 THR 23 -5.087 -7.873 -10.955
190 HG23 THR 23 HG23 THR 23 -4.615 -9.563 -11.214
191 H ASN 24 H ASN 24 -0.114 -9.252 -8.879
192 HA ASN 24 HA ASN 24 1.887 -8.409 -8.476
193 HB2 ASN 24 HB2 ASN 24 2.444 -8.655 -11.449
194 HB3 ASN 24 HB3 ASN 24 3.647 -8.435 -10.171
195 HD21 ASN 24 HD21 ASN 24 2.242 -10.773 -12.081
196 HD22 ASN 24 HD22 ASN 24 2.589 -12.157 -11.040
197 H ALA 25 H ALA 25 -0.417 -6.522 -9.458
198 HA ALA 25 HA ALA 25 0.933 -4.069 -10.161
199 HB1 ALA 25 HB1 ALA 25 -1.203 -3.024 -9.543
200 HB2 ALA 25 HB2 ALA 25 -1.477 -4.469 -10.533
201 HB3 ALA 25 HB3 ALA 25 -1.742 -4.531 -8.776
202 H SER 26 H SER 26 1.359 -2.222 -8.821
203 HA SER 26 HA SER 26 1.546 -2.628 -5.894
204 HB2 SER 26 HB2 SER 26 3.878 -1.813 -5.853
205 HB3 SER 26 HB3 SER 26 3.693 -3.395 -6.605
206 HG SER 26 HG SER 26 3.902 -0.922 -8.010
207 H GLN 27 H GLN 27 1.460 -0.751 -4.665
208 HA GLN 27 HA GLN 27 1.639 1.908 -5.954
209 HB2 GLN 27 HB2 GLN 27 -0.870 0.858 -4.576
210 HB3 GLN 27 HB3 GLN 27 -0.472 2.578 -4.701
211 HG2 GLN 27 HG2 GLN 27 -0.396 2.412 -7.148
212 HG3 GLN 27 HG3 GLN 27 -0.940 0.724 -7.044
213 HE21 GLN 27 HE21 GLN 27 -2.481 2.727 -4.604
214 HE22 GLN 27 HE22 GLN 27 -3.914 3.087 -5.572
215 H PHE 28 H PHE 28 2.238 3.559 -4.632
216 HA PHE 28 HA PHE 28 2.997 2.955 -1.867
217 HB2 PHE 28 HB2 PHE 28 3.381 5.363 -3.625
218 HB3 PHE 28 HB3 PHE 28 3.680 5.415 -1.885
219 HD1 PHE 28 HD1 PHE 28 4.934 4.161 -5.100
220 HD2 PHE 28 HD2 PHE 28 5.451 4.057 -0.818
221 HE1 PHE 28 HE1 PHE 28 7.227 3.250 -5.398
222 HE2 PHE 28 HE2 PHE 28 7.749 3.162 -1.122
223 HZ PHE 28 HZ PHE 28 8.641 2.759 -3.409
224 H GLU 29 H GLU 29 0.215 4.179 -3.362
225 HA GLU 29 HA GLU 29 -0.918 5.161 -0.784
226 HB2 GLU 29 HB2 GLU 29 -0.871 6.952 -2.337
227 HB3 GLU 29 HB3 GLU 29 -1.411 5.931 -3.657
228 HG2 GLU 29 HG2 GLU 29 -3.130 7.479 -3.060
229 HG3 GLU 29 HG3 GLU 29 -3.666 5.835 -2.778
230 H ARG 30 H ARG 30 -3.012 4.550 -0.207
231 HA ARG 30 HA ARG 30 -3.534 1.812 -0.400
232 HB2 ARG 30 HB2 ARG 30 -4.198 3.095 1.470
233 HB3 ARG 30 HB3 ARG 30 -5.276 4.113 0.527
234 HG2 ARG 30 HG2 ARG 30 -5.781 1.132 0.578
235 HG3 ARG 30 HG3 ARG 30 -6.148 2.073 2.031
236 HD2 ARG 30 HD2 ARG 30 -7.949 3.118 1.126
237 HD3 ARG 30 HD3 ARG 30 -7.197 3.307 -0.447
238 HE ARG 30 HE ARG 30 -8.042 1.298 -1.191
239 HH11 ARG 30 HH11 ARG 30 -9.886 0.074 2.102
240 HH12 ARG 30 HH12 ARG 30 -8.744 1.393 2.261
241 HH21 ARG 30 HH21 ARG 30 -10.257 -0.866 0.201
242 HH22 ARG 30 HH22 ARG 30 -9.513 -0.258 -1.277
243 HA PRO 31 HA PRO 31 -5.215 1.659 -4.486
244 HB2 PRO 31 HB2 PRO 31 -5.745 -1.015 -4.735
245 HB3 PRO 31 HB3 PRO 31 -4.084 -0.346 -4.634
246 HG2 PRO 31 HG2 PRO 31 -5.775 -1.452 -2.360
247 HG3 PRO 31 HG3 PRO 31 -4.093 -1.902 -2.789
248 HD2 PRO 31 HD2 PRO 31 -4.554 -0.101 -0.869
249 HD3 PRO 31 HD3 PRO 31 -3.244 0.173 -2.060
250 H SER 32 H SER 32 -7.089 1.820 -5.604
251 HA SER 32 HA SER 32 -9.668 1.470 -4.183
252 HB2 SER 32 HB2 SER 32 -10.573 2.808 -6.039
253 HB3 SER 32 HB3 SER 32 -9.246 3.623 -5.196
254 HG SER 32 HG SER 32 -9.049 3.751 -7.479
255 H GLY 33 H GLY 33 -7.837 -0.075 -6.728
256 HA2 GLY 33 HA2 GLY 33 -9.443 -2.402 -6.929
257 HA3 GLY 33 HA3 GLY 33 -9.945 -1.309 -8.218
258 H1 GAL 101 H1 GAL 34 12.097 1.370 0.322
259 H2 GAL 101 H2 GAL 34 13.815 3.622 -0.864
260 H3 GAL 101 H3 GAL 34 11.024 2.668 -1.689
261 H4 GAL 101 H4 GAL 34 12.034 1.882 -3.775
262 H5 GAL 101 H5 GAL 34 11.944 0.271 -1.950
263 H61 GAL 101 H61 GAL 34 13.019 -0.660 -3.921
264 H62 GAL 101 H62 GAL 34 14.579 0.066 -3.474
265 HO2 GAL 101 H2O GAL 34 12.556 4.030 1.124
266 HO3 GAL 101 H3O GAL 34 11.584 4.946 -1.938
267 HO4 GAL 101 H4O GAL 34 13.767 3.481 -3.670
268 HO6 GAL 101 H6O GAL 34 14.322 -1.142 -1.440
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 -11.655 -5.781 5.298
2 H2 LYS 1 H2 LYS 1 -11.915 -6.099 3.710
3 H3 LYS 1 H3 LYS 1 -12.049 -4.570 4.269
4 HA LYS 1 HA LYS 1 -9.724 -4.462 4.800
5 HB2 LYS 1 HB2 LYS 1 -8.197 -6.241 4.170
6 HB3 LYS 1 HB3 LYS 1 -9.378 -6.834 5.304
7 HG2 LYS 1 HG2 LYS 1 -10.402 -8.246 3.793
8 HG3 LYS 1 HG3 LYS 1 -9.995 -7.278 2.381
9 HD2 LYS 1 HD2 LYS 1 -7.883 -8.802 3.962
10 HD3 LYS 1 HD3 LYS 1 -8.788 -9.510 2.613
11 HE2 LYS 1 HE2 LYS 1 -8.013 -7.737 1.097
12 HE3 LYS 1 HE3 LYS 1 -7.112 -6.968 2.410
13 HZ1 LYS 1 HZ1 LYS 1 -5.630 -8.814 2.509
14 HZ2 LYS 1 HZ2 LYS 1 -6.554 -9.726 1.490
15 HZ3 LYS 1 HZ3 LYS 1 -5.760 -8.400 0.943
16 H LEU 2 H LEU 2 -7.909 -4.874 2.799
17 HA LEU 2 HA LEU 2 -8.481 -3.021 0.765
18 HB2 LEU 2 HB2 LEU 2 -6.472 -5.300 0.990
19 HB3 LEU 2 HB3 LEU 2 -6.393 -4.086 -0.286
20 HG LEU 2 HG LEU 2 -6.355 -3.233 2.627
21 HD11 LEU 2 HD11 LEU 2 -3.999 -4.033 0.875
22 HD12 LEU 2 HD12 LEU 2 -3.892 -3.205 2.447
23 HD13 LEU 2 HD13 LEU 2 -4.546 -4.845 2.367
24 HD21 LEU 2 HD21 LEU 2 -5.169 -2.020 0.104
25 HD22 LEU 2 HD22 LEU 2 -6.726 -1.518 0.809
26 HD23 LEU 2 HD23 LEU 2 -5.223 -1.277 1.714
27 HA PRO 3 HA PRO 3 -10.743 -5.053 -2.373
28 HB2 PRO 3 HB2 PRO 3 -8.942 -4.202 -4.578
29 HB3 PRO 3 HB3 PRO 3 -10.635 -3.739 -4.255
30 HG2 PRO 3 HG2 PRO 3 -8.515 -2.039 -3.860
31 HG3 PRO 3 HG3 PRO 3 -9.996 -1.992 -2.840
32 HD2 PRO 3 HD2 PRO 3 -7.332 -3.289 -2.277
33 HD3 PRO 3 HD3 PRO 3 -8.357 -2.303 -1.192
34 HA PRO 4 HA PRO 4 -9.550 -9.038 -3.570
35 HB2 PRO 4 HB2 PRO 4 -9.984 -8.430 -6.504
36 HB3 PRO 4 HB3 PRO 4 -10.517 -9.858 -5.555
37 HG2 PRO 4 HG2 PRO 4 -12.263 -7.859 -6.039
38 HG3 PRO 4 HG3 PRO 4 -12.157 -8.547 -4.383
39 HD2 PRO 4 HD2 PRO 4 -10.912 -6.001 -5.449
40 HD3 PRO 4 HD3 PRO 4 -11.774 -6.279 -3.903
41 H GLY 5 H GLY 5 -7.631 -9.912 -3.460
42 HA2 GLY 5 HA2 GLY 5 -5.526 -10.657 -4.064
43 HA3 GLY 5 HA3 GLY 5 -5.542 -9.590 -5.482
44 H TRP 6 H TRP 6 -6.199 -7.311 -3.314
45 HA TRP 6 HA TRP 6 -3.408 -6.500 -3.064
46 HB2 TRP 6 HB2 TRP 6 -5.981 -5.186 -2.208
47 HB3 TRP 6 HB3 TRP 6 -4.378 -4.493 -1.950
48 HD1 TRP 6 HD1 TRP 6 -6.951 -5.101 -4.652
49 HE1 TRP 6 HE1 TRP 6 -6.341 -3.793 -6.774
50 HE3 TRP 6 HE3 TRP 6 -2.219 -3.685 -3.348
51 HZ2 TRP 6 HZ2 TRP 6 -3.942 -2.653 -7.910
52 HZ3 TRP 6 HZ3 TRP 6 -0.759 -2.524 -5.000
53 HH2 TRP 6 HH2 TRP 6 -1.604 -2.001 -7.274
54 H GLU 7 H GLU 7 -2.138 -6.285 -1.313
55 HA GLU 7 HA GLU 7 -3.227 -6.441 1.394
56 HB2 GLU 7 HB2 GLU 7 -2.733 -8.828 0.694
57 HB3 GLU 7 HB3 GLU 7 -1.041 -8.381 0.508
58 HG2 GLU 7 HG2 GLU 7 -1.607 -9.551 2.657
59 HG3 GLU 7 HG3 GLU 7 -0.808 -8.002 2.876
60 H LYS 8 H LYS 8 -1.628 -5.723 3.037
61 HA LYS 8 HA LYS 8 0.179 -3.651 2.066
62 HB2 LYS 8 HB2 LYS 8 -0.436 -4.754 4.813
63 HB3 LYS 8 HB3 LYS 8 0.944 -3.677 4.543
64 HG2 LYS 8 HG2 LYS 8 -0.513 -1.962 3.548
65 HG3 LYS 8 HG3 LYS 8 -1.913 -3.031 3.747
66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.430 5.520
67 HD3 LYS 8 HD3 LYS 8 -1.521 -2.980 6.242
68 HE2 LYS 8 HE2 LYS 8 0.885 -2.250 6.199
69 HE3 LYS 8 HE3 LYS 8 0.386 -0.719 5.472
70 HZ1 LYS 8 HZ1 LYS 8 -0.456 -1.679 8.155
71 HZ2 LYS 8 HZ2 LYS 8 0.659 -0.519 7.877
72 HZ3 LYS 8 HZ3 LYS 8 -0.903 -0.256 7.484
73 H ARG 9 H ARG 9 2.288 -3.488 2.104
74 HA ARG 9 HA ARG 9 4.035 -5.899 2.275
75 HB2 ARG 9 HB2 ARG 9 2.865 -5.153 -0.096
76 HB3 ARG 9 HB3 ARG 9 4.225 -4.057 -0.107
77 HG2 ARG 9 HG2 ARG 9 4.789 -6.016 -1.363
78 HG3 ARG 9 HG3 ARG 9 5.755 -6.081 0.129
79 HD2 ARG 9 HD2 ARG 9 4.239 -7.747 1.080
80 HD3 ARG 9 HD3 ARG 9 3.091 -7.513 -0.262
81 HE ARG 9 HE ARG 9 5.736 -8.341 -1.161
82 HH11 ARG 9 HH11 ARG 9 5.957 -10.302 -2.167
83 HH12 ARG 9 HH12 ARG 9 4.732 -11.526 -1.971
84 HH21 ARG 9 HH21 ARG 9 2.717 -9.639 0.061
85 HH22 ARG 9 HH22 ARG 9 2.944 -11.164 -0.756
86 H MET 10 H MET 10 6.399 -5.240 2.086
87 HA MET 10 HA MET 10 6.987 -2.441 2.761
88 HB2 MET 10 HB2 MET 10 6.209 -3.536 4.911
89 HB3 MET 10 HB3 MET 10 7.586 -4.634 4.781
90 HG2 MET 10 HG2 MET 10 9.102 -2.600 4.806
91 HG3 MET 10 HG3 MET 10 7.666 -1.604 5.025
92 HE1 MET 10 HE1 MET 10 9.612 -4.387 8.158
93 HE2 MET 10 HE2 MET 10 8.918 -5.056 6.667
94 HE3 MET 10 HE3 MET 10 10.299 -3.936 6.582
95 H PHE 11 H PHE 11 8.956 -1.822 2.276
96 HA PHE 11 HA PHE 11 10.819 -3.573 0.896
97 HB2 PHE 11 HB2 PHE 11 10.804 -0.642 1.600
98 HB3 PHE 11 HB3 PHE 11 12.148 -1.413 0.744
99 HD1 PHE 11 HD1 PHE 11 11.561 -2.712 -1.467
100 HD2 PHE 11 HD2 PHE 11 9.028 0.256 0.370
101 HE1 PHE 11 HE1 PHE 11 10.417 -2.331 -3.643
102 HE2 PHE 11 HE2 PHE 11 7.894 0.634 -1.793
103 HZ PHE 11 HZ PHE 11 8.587 -0.653 -3.812
104 H ALA 12 H ALA 12 13.143 -3.678 1.332
105 HA ALA 12 HA ALA 12 13.752 -4.612 3.948
106 HB1 ALA 12 HB1 ALA 12 15.601 -3.724 1.688
107 HB2 ALA 12 HB2 ALA 12 16.054 -4.746 3.068
108 HB3 ALA 12 HB3 ALA 12 14.883 -5.342 1.879
109 H ASN 13 H ASN 13 13.875 -1.362 2.683
110 HA ASN 13 HA ASN 13 15.542 -0.259 4.832
111 HB2 ASN 13 HB2 ASN 13 15.054 1.902 3.746
112 HB3 ASN 13 HB3 ASN 13 15.654 0.693 2.600
113 HD21 ASN 13 HD21 ASN 13 14.752 2.175 0.992
114 H GLY 14 H GLY 14 12.355 -1.339 4.848
115 HA2 GLY 14 HA2 GLY 14 10.901 -1.251 6.660
116 HA3 GLY 14 HA3 GLY 14 11.733 0.171 7.309
117 H THR 15 H THR 15 10.823 0.485 3.956
118 HA THR 15 HA THR 15 8.659 2.405 4.668
119 HB THR 15 HB THR 15 10.170 1.733 2.114
120 HG1 THR 15 HG1 THR 15 10.925 3.787 2.399
121 HG21 THR 15 HG21 THR 15 9.035 3.709 1.091
122 HG22 THR 15 HG22 THR 15 7.959 2.331 1.326
123 HG23 THR 15 HG23 THR 15 7.885 3.712 2.448
124 H VAL 16 H VAL 16 6.552 1.981 4.386
125 HA VAL 16 HA VAL 16 5.692 -0.723 3.507
126 HB VAL 16 HB VAL 16 4.379 1.527 5.071
127 HG11 VAL 16 HG11 VAL 16 2.552 0.521 3.781
128 HG12 VAL 16 HG12 VAL 16 3.079 -1.110 4.267
129 HG13 VAL 16 HG13 VAL 16 2.455 0.041 5.470
130 HG21 VAL 16 HG21 VAL 16 4.333 -0.150 6.879
131 HG22 VAL 16 HG22 VAL 16 5.082 -1.349 5.808
132 HG23 VAL 16 HG23 VAL 16 5.992 0.097 6.307
133 H TYR 17 H TYR 17 4.179 -1.089 1.952
134 HA TYR 17 HA TYR 17 2.929 1.050 0.377
135 HB2 TYR 17 HB2 TYR 17 3.889 0.404 -1.726
136 HB3 TYR 17 HB3 TYR 17 5.192 0.802 -0.645
137 HD1 TYR 17 HD1 TYR 17 6.559 -1.106 0.420
138 HD2 TYR 17 HD2 TYR 17 3.795 -1.695 -2.840
139 HE1 TYR 17 HE1 TYR 17 7.776 -3.170 -0.245
140 HE2 TYR 17 HE2 TYR 17 4.981 -3.797 -3.463
141 HH TYR 17 HH TYR 17 7.964 -4.832 -1.789
142 H TYR 18 H TYR 18 1.716 -0.222 -1.542
143 HA TYR 18 HA TYR 18 0.340 -2.591 -0.336
144 HB2 TYR 18 HB2 TYR 18 -0.733 -0.477 -2.230
145 HB3 TYR 18 HB3 TYR 18 -1.619 -1.885 -1.625
146 HD1 TYR 18 HD1 TYR 18 -2.245 -2.062 0.791
147 HD2 TYR 18 HD2 TYR 18 -0.384 1.475 -0.836
148 HE1 TYR 18 HE1 TYR 18 -2.918 -0.766 2.817
149 HE2 TYR 18 HE2 TYR 18 -1.041 2.760 1.193
150 HH TYR 18 HH TYR 18 -2.082 2.682 3.222
151 H PHE 19 H PHE 19 0.076 -4.431 -1.514
152 HA PHE 19 HA PHE 19 1.074 -4.497 -4.327
153 HB2 PHE 19 HB2 PHE 19 2.968 -5.013 -2.953
154 HB3 PHE 19 HB3 PHE 19 2.041 -6.216 -2.044
155 HD1 PHE 19 HD1 PHE 19 3.192 -5.346 -5.458
156 HD2 PHE 19 HD2 PHE 19 1.980 -8.532 -2.817
157 HE1 PHE 19 HE1 PHE 19 3.779 -6.975 -7.188
158 HE2 PHE 19 HE2 PHE 19 2.653 -10.193 -4.532
159 HZ PHE 19 HZ PHE 19 3.545 -9.437 -6.729
160 H ASN 20 H ASN 20 0.046 -5.794 -5.721
161 HA ASN 20 HA ASN 20 -2.217 -7.415 -4.680
162 HB2 ASN 20 HB2 ASN 20 -2.584 -5.604 -6.398
163 HB3 ASN 20 HB3 ASN 20 -1.674 -6.598 -7.547
164 HD21 ASN 20 HD21 ASN 20 -4.747 -5.831 -6.740
165 HD22 ASN 20 HD22 ASN 20 -5.544 -7.355 -7.079
166 H HIS 21 H HIS 21 -1.844 -9.528 -4.386
167 HA HIS 21 HA HIS 21 0.519 -10.809 -5.492
168 HB2 HIS 21 HB2 HIS 21 0.136 -12.473 -4.000
169 HB3 HIS 21 HB3 HIS 21 -0.704 -11.154 -3.190
170 HD2 HIS 21 HD2 HIS 21 -3.335 -11.443 -2.815
171 HE1 HIS 21 HE1 HIS 21 -3.763 -15.321 -4.529
172 HE2 HIS 21 HE2 HIS 21 -4.919 -13.521 -3.150
173 H ILE 22 H ILE 22 -2.763 -10.575 -6.614
174 HA ILE 22 HA ILE 22 -2.714 -12.987 -8.281
175 HB ILE 22 HB ILE 22 -4.683 -10.653 -8.164
176 HG12 ILE 22 HG12 ILE 22 -4.671 -13.338 -6.695
177 HG13 ILE 22 HG13 ILE 22 -4.527 -11.732 -5.972
178 HG21 ILE 22 HG21 ILE 22 -4.840 -11.956 -10.265
179 HG22 ILE 22 HG22 ILE 22 -5.003 -13.456 -9.322
180 HG23 ILE 22 HG23 ILE 22 -6.257 -12.195 -9.266
181 HD11 ILE 22 HD11 ILE 22 -6.857 -11.213 -6.792
182 HD12 ILE 22 HD12 ILE 22 -7.007 -12.933 -7.237
183 HD13 ILE 22 HD13 ILE 22 -6.733 -12.476 -5.550
184 H THR 23 H THR 23 -2.429 -9.481 -8.712
185 HA THR 23 HA THR 23 -1.967 -9.797 -11.626
186 HB THR 23 HB THR 23 -2.798 -7.645 -11.955
187 HG1 THR 23 HG1 THR 23 -3.455 -6.593 -9.815
188 HG21 THR 23 HG21 THR 23 -4.584 -9.305 -11.291
189 HG22 THR 23 HG22 THR 23 -4.510 -8.648 -9.639
190 HG23 THR 23 HG23 THR 23 -4.996 -7.607 -10.990
191 H ASN 24 H ASN 24 -0.084 -9.213 -8.928
192 HA ASN 24 HA ASN 24 1.938 -8.438 -8.492
193 HB2 ASN 24 HB2 ASN 24 2.504 -8.685 -11.463
194 HB3 ASN 24 HB3 ASN 24 3.711 -8.477 -10.187
195 HD21 ASN 24 HD21 ASN 24 2.288 -10.804 -12.085
196 HD22 ASN 24 HD22 ASN 24 2.604 -12.186 -11.029
197 H ALA 25 H ALA 25 -0.296 -6.474 -9.486
198 HA ALA 25 HA ALA 25 1.143 -4.052 -10.127
199 HB1 ALA 25 HB1 ALA 25 -1.260 -4.382 -10.599
200 HB2 ALA 25 HB2 ALA 25 -1.596 -4.456 -8.854
201 HB3 ALA 25 HB3 ALA 25 -0.985 -2.956 -9.583
202 H SER 26 H SER 26 1.544 -2.229 -8.749
203 HA SER 26 HA SER 26 1.534 -2.652 -5.831
204 HB2 SER 26 HB2 SER 26 3.850 -1.978 -5.539
205 HB3 SER 26 HB3 SER 26 3.722 -3.488 -6.445
206 HG SER 26 HG SER 26 4.166 -2.395 -8.329
207 H GLN 27 H GLN 27 1.526 -0.735 -4.601
208 HA GLN 27 HA GLN 27 1.681 1.896 -5.958
209 HB2 GLN 27 HB2 GLN 27 -0.810 0.876 -4.528
210 HB3 GLN 27 HB3 GLN 27 -0.445 2.589 -4.805
211 HG2 GLN 27 HG2 GLN 27 -0.459 2.289 -7.193
212 HG3 GLN 27 HG3 GLN 27 -0.844 0.561 -7.008
213 HE21 GLN 27 HE21 GLN 27 -2.496 2.583 -4.653
214 HE22 GLN 27 HE22 GLN 27 -3.997 2.709 -5.572
215 H PHE 28 H PHE 28 2.272 3.573 -4.687
216 HA PHE 28 HA PHE 28 2.944 3.086 -1.873
217 HB2 PHE 28 HB2 PHE 28 3.432 5.402 -3.729
218 HB3 PHE 28 HB3 PHE 28 3.700 5.514 -1.987
219 HD1 PHE 28 HD1 PHE 28 5.384 4.085 -0.830
220 HD2 PHE 28 HD2 PHE 28 5.012 4.171 -5.128
221 HE1 PHE 28 HE1 PHE 28 7.660 3.115 -1.051
222 HE2 PHE 28 HE2 PHE 28 7.282 3.188 -5.343
223 HZ PHE 28 HZ PHE 28 8.613 2.667 -3.307
224 H GLU 29 H GLU 29 0.231 4.252 -3.505
225 HA GLU 29 HA GLU 29 -0.993 5.345 -1.007
226 HB2 GLU 29 HB2 GLU 29 -0.923 7.082 -2.629
227 HB3 GLU 29 HB3 GLU 29 -1.383 5.995 -3.930
228 HG2 GLU 29 HG2 GLU 29 -3.156 7.536 -3.462
229 HG3 GLU 29 HG3 GLU 29 -3.671 5.887 -3.159
230 H ARG 30 H ARG 30 -3.196 4.684 -0.545
231 HA ARG 30 HA ARG 30 -3.408 1.899 -0.792
232 HB2 ARG 30 HB2 ARG 30 -5.567 2.008 0.331
233 HB3 ARG 30 HB3 ARG 30 -4.291 2.907 1.105
234 HG2 ARG 30 HG2 ARG 30 -6.275 4.134 1.369
235 HG3 ARG 30 HG3 ARG 30 -5.235 5.046 0.273
236 HD2 ARG 30 HD2 ARG 30 -7.683 5.074 -0.288
237 HD3 ARG 30 HD3 ARG 30 -6.649 4.572 -1.597
238 HE ARG 30 HE ARG 30 -7.590 2.422 -1.559
239 HH11 ARG 30 HH11 ARG 30 -8.785 4.108 1.290
240 HH12 ARG 30 HH12 ARG 30 -9.956 2.855 1.609
241 HH21 ARG 30 HH21 ARG 30 -10.094 1.081 0.283
242 HH22 ARG 30 HH22 ARG 30 -8.999 0.932 -1.088
243 HA PRO 31 HA PRO 31 -5.425 1.216 -4.686
244 HB2 PRO 31 HB2 PRO 31 -6.066 -1.409 -4.464
245 HB3 PRO 31 HB3 PRO 31 -4.362 -0.848 -4.572
246 HG2 PRO 31 HG2 PRO 31 -5.962 -1.508 -2.073
247 HG3 PRO 31 HG3 PRO 31 -4.330 -2.109 -2.513
248 HD2 PRO 31 HD2 PRO 31 -4.652 0.001 -0.857
249 HD3 PRO 31 HD3 PRO 31 -3.338 -0.030 -2.075
250 H SER 32 H SER 32 -7.462 0.818 -5.647
251 HA SER 32 HA SER 32 -9.839 0.578 -3.841
252 HB2 SER 32 HB2 SER 32 -9.432 2.610 -6.058
253 HB3 SER 32 HB3 SER 32 -10.970 2.308 -5.230
254 HG SER 32 HG SER 32 -9.798 4.043 -4.302
255 H GLY 33 H GLY 33 -8.321 -0.965 -6.308
256 HA2 GLY 33 HA2 GLY 33 -10.194 -2.875 -6.876
257 HA3 GLY 33 HA3 GLY 33 -10.576 -1.621 -8.059
258 H1 GAL 101 H1 GAL 34 11.848 1.625 0.547
259 H2 GAL 101 H2 GAL 34 13.483 4.029 -0.430
260 H3 GAL 101 H3 GAL 34 10.554 3.277 -0.907
261 H4 GAL 101 H4 GAL 34 11.173 2.886 -3.244
262 H5 GAL 101 H5 GAL 34 11.346 0.961 -1.761
263 H61 GAL 101 H61 GAL 34 12.869 -0.508 -2.946
264 H62 GAL 101 H62 GAL 34 12.089 0.587 -4.106
265 HO2 GAL 101 H2O GAL 34 12.811 4.464 1.617
266 HO3 GAL 101 H3O GAL 34 11.140 5.561 -0.830
267 HO4 GAL 101 H4O GAL 34 12.943 4.448 -3.129
268 HO6 GAL 101 H6O GAL 34 14.053 1.964 -3.588
Start of MODEL 20
1 H1 LYS 1 H1 LYS 1 -11.779 -3.283 4.159
2 H2 LYS 1 H2 LYS 1 -11.753 -4.566 5.173
3 H3 LYS 1 H3 LYS 1 -11.843 -4.807 3.557
4 HA LYS 1 HA LYS 1 -9.578 -3.606 5.001
5 HB2 LYS 1 HB2 LYS 1 -9.713 -5.957 5.513
6 HB3 LYS 1 HB3 LYS 1 -9.849 -6.386 3.811
7 HG2 LYS 1 HG2 LYS 1 -7.536 -5.629 3.405
8 HG3 LYS 1 HG3 LYS 1 -7.396 -5.088 5.088
9 HD2 LYS 1 HD2 LYS 1 -7.491 -7.360 5.898
10 HD3 LYS 1 HD3 LYS 1 -8.081 -7.960 4.344
11 HE2 LYS 1 HE2 LYS 1 -5.777 -8.603 4.557
12 HE3 LYS 1 HE3 LYS 1 -5.938 -7.415 3.264
13 HZ1 LYS 1 HZ1 LYS 1 -4.043 -6.908 4.603
14 HZ2 LYS 1 HZ2 LYS 1 -5.138 -5.720 4.862
15 HZ3 LYS 1 HZ3 LYS 1 -4.911 -6.885 5.996
16 H LEU 2 H LEU 2 -9.456 -5.377 1.929
17 HA LEU 2 HA LEU 2 -8.669 -2.926 0.461
18 HB2 LEU 2 HB2 LEU 2 -7.090 -5.497 0.880
19 HB3 LEU 2 HB3 LEU 2 -6.709 -4.338 -0.395
20 HG LEU 2 HG LEU 2 -6.695 -3.551 2.537
21 HD11 LEU 2 HD11 LEU 2 -4.373 -4.408 0.775
22 HD12 LEU 2 HD12 LEU 2 -4.258 -3.770 2.430
23 HD13 LEU 2 HD13 LEU 2 -5.037 -5.337 2.136
24 HD21 LEU 2 HD21 LEU 2 -5.340 -2.316 0.112
25 HD22 LEU 2 HD22 LEU 2 -6.879 -1.740 0.785
26 HD23 LEU 2 HD23 LEU 2 -5.413 -1.658 1.763
27 HA PRO 3 HA PRO 3 -10.854 -4.777 -2.904
28 HB2 PRO 3 HB2 PRO 3 -8.838 -3.961 -4.917
29 HB3 PRO 3 HB3 PRO 3 -10.520 -3.404 -4.708
30 HG2 PRO 3 HG2 PRO 3 -8.351 -1.833 -4.106
31 HG3 PRO 3 HG3 PRO 3 -9.896 -1.737 -3.193
32 HD2 PRO 3 HD2 PRO 3 -7.368 -3.232 -2.478
33 HD3 PRO 3 HD3 PRO 3 -8.380 -2.178 -1.449
34 HA PRO 4 HA PRO 4 -9.658 -8.784 -3.982
35 HB2 PRO 4 HB2 PRO 4 -9.777 -8.186 -6.948
36 HB3 PRO 4 HB3 PRO 4 -10.453 -9.584 -6.047
37 HG2 PRO 4 HG2 PRO 4 -12.067 -7.528 -6.717
38 HG3 PRO 4 HG3 PRO 4 -12.153 -8.205 -5.055
39 HD2 PRO 4 HD2 PRO 4 -10.714 -5.714 -6.002
40 HD3 PRO 4 HD3 PRO 4 -11.741 -5.949 -4.553
41 H GLY 5 H GLY 5 -7.768 -9.654 -3.616
42 HA2 GLY 5 HA2 GLY 5 -5.665 -10.524 -4.030
43 HA3 GLY 5 HA3 GLY 5 -5.531 -9.527 -5.492
44 H TRP 6 H TRP 6 -6.232 -7.168 -3.378
45 HA TRP 6 HA TRP 6 -3.441 -6.396 -3.097
46 HB2 TRP 6 HB2 TRP 6 -6.025 -5.076 -2.319
47 HB3 TRP 6 HB3 TRP 6 -4.438 -4.373 -1.977
48 HD1 TRP 6 HD1 TRP 6 -6.899 -4.973 -4.774
49 HE1 TRP 6 HE1 TRP 6 -6.176 -3.733 -6.903
50 HE3 TRP 6 HE3 TRP 6 -2.194 -3.633 -3.328
51 HZ2 TRP 6 HZ2 TRP 6 -3.737 -2.635 -7.961
52 HZ3 TRP 6 HZ3 TRP 6 -0.648 -2.546 -4.954
53 HH2 TRP 6 HH2 TRP 6 -1.401 -2.050 -7.267
54 H GLU 7 H GLU 7 -2.140 -6.290 -1.393
55 HA GLU 7 HA GLU 7 -3.110 -6.468 1.366
56 HB2 GLU 7 HB2 GLU 7 -2.918 -8.798 0.867
57 HB3 GLU 7 HB3 GLU 7 -1.385 -8.572 0.046
58 HG2 GLU 7 HG2 GLU 7 -1.123 -9.746 2.138
59 HG3 GLU 7 HG3 GLU 7 -0.213 -8.252 2.107
60 H LYS 8 H LYS 8 -1.535 -5.782 2.928
61 HA LYS 8 HA LYS 8 0.343 -3.773 1.929
62 HB2 LYS 8 HB2 LYS 8 -0.373 -4.744 4.705
63 HB3 LYS 8 HB3 LYS 8 1.005 -3.664 4.425
64 HG2 LYS 8 HG2 LYS 8 -0.423 -2.012 3.321
65 HG3 LYS 8 HG3 LYS 8 -1.819 -3.096 3.477
66 HD2 LYS 8 HD2 LYS 8 -2.007 -1.430 5.186
67 HD3 LYS 8 HD3 LYS 8 -1.578 -2.951 5.985
68 HE2 LYS 8 HE2 LYS 8 0.820 -2.194 6.059
69 HE3 LYS 8 HE3 LYS 8 0.350 -0.693 5.257
70 HZ1 LYS 8 HZ1 LYS 8 -0.639 -1.579 7.915
71 HZ2 LYS 8 HZ2 LYS 8 0.477 -0.414 7.665
72 HZ3 LYS 8 HZ3 LYS 8 -1.063 -0.185 7.173
73 H ARG 9 H ARG 9 2.455 -3.646 2.020
74 HA ARG 9 HA ARG 9 4.176 -5.967 2.704
75 HB2 ARG 9 HB2 ARG 9 3.298 -6.193 0.330
76 HB3 ARG 9 HB3 ARG 9 4.170 -4.722 -0.088
77 HG2 ARG 9 HG2 ARG 9 6.295 -5.774 0.265
78 HG3 ARG 9 HG3 ARG 9 5.573 -7.138 1.145
79 HD2 ARG 9 HD2 ARG 9 4.988 -6.565 -1.788
80 HD3 ARG 9 HD3 ARG 9 6.341 -7.577 -1.229
81 HE ARG 9 HE ARG 9 3.705 -8.332 -0.165
82 HH11 ARG 9 HH11 ARG 9 2.975 -10.384 -0.557
83 HH12 ARG 9 HH12 ARG 9 3.707 -11.343 -1.812
84 HH21 ARG 9 HH21 ARG 9 5.979 -8.964 -2.759
85 HH22 ARG 9 HH22 ARG 9 5.357 -10.571 -3.023
86 H MET 10 H MET 10 6.585 -5.284 2.306
87 HA MET 10 HA MET 10 7.067 -2.427 2.847
88 HB2 MET 10 HB2 MET 10 6.313 -3.432 5.020
89 HB3 MET 10 HB3 MET 10 7.645 -4.584 4.912
90 HG2 MET 10 HG2 MET 10 9.202 -2.531 4.830
91 HG3 MET 10 HG3 MET 10 7.799 -1.578 5.299
92 HE1 MET 10 HE1 MET 10 6.258 -3.359 7.403
93 HE2 MET 10 HE2 MET 10 7.066 -2.944 8.928
94 HE3 MET 10 HE3 MET 10 6.695 -1.668 7.754
95 H PHE 11 H PHE 11 8.998 -1.776 2.290
96 HA PHE 11 HA PHE 11 10.901 -3.501 0.948
97 HB2 PHE 11 HB2 PHE 11 10.810 -0.553 1.585
98 HB3 PHE 11 HB3 PHE 11 12.150 -1.306 0.707
99 HD1 PHE 11 HD1 PHE 11 11.531 -2.673 -1.456
100 HD2 PHE 11 HD2 PHE 11 8.983 0.280 0.384
101 HE1 PHE 11 HE1 PHE 11 10.328 -2.362 -3.609
102 HE2 PHE 11 HE2 PHE 11 7.786 0.586 -1.761
103 HZ PHE 11 HZ PHE 11 8.458 -0.727 -3.767
104 H ALA 12 H ALA 12 13.239 -3.509 1.347
105 HA ALA 12 HA ALA 12 13.910 -4.386 3.963
106 HB1 ALA 12 HB1 ALA 12 16.204 -4.458 3.059
107 HB2 ALA 12 HB2 ALA 12 15.039 -5.100 1.888
108 HB3 ALA 12 HB3 ALA 12 15.706 -3.463 1.675
109 H ASN 13 H ASN 13 13.911 -1.143 2.681
110 HA ASN 13 HA ASN 13 15.574 0.026 4.799
111 HB2 ASN 13 HB2 ASN 13 14.983 2.169 3.706
112 HB3 ASN 13 HB3 ASN 13 15.644 0.977 2.575
113 HD21 ASN 13 HD21 ASN 13 14.684 2.374 0.936
114 H GLY 14 H GLY 14 12.421 -1.148 4.862
115 HA2 GLY 14 HA2 GLY 14 10.997 -1.092 6.700
116 HA3 GLY 14 HA3 GLY 14 11.781 0.372 7.314
117 H THR 15 H THR 15 10.815 0.590 3.970
118 HA THR 15 HA THR 15 8.604 2.459 4.678
119 HB THR 15 HB THR 15 10.091 1.769 2.112
120 HG1 THR 15 HG1 THR 15 10.793 3.841 2.326
121 HG21 THR 15 HG21 THR 15 7.766 3.703 2.438
122 HG22 THR 15 HG22 THR 15 8.889 3.687 1.061
123 HG23 THR 15 HG23 THR 15 7.847 2.294 1.353
124 H VAL 16 H VAL 16 6.496 1.991 4.390
125 HA VAL 16 HA VAL 16 5.687 -0.748 3.560
126 HB VAL 16 HB VAL 16 4.314 1.520 5.051
127 HG11 VAL 16 HG11 VAL 16 3.069 -1.149 4.266
128 HG12 VAL 16 HG12 VAL 16 2.406 0.008 5.444
129 HG13 VAL 16 HG13 VAL 16 2.524 0.468 3.751
130 HG21 VAL 16 HG21 VAL 16 4.245 -0.123 6.890
131 HG22 VAL 16 HG22 VAL 16 5.032 -1.331 5.857
132 HG23 VAL 16 HG23 VAL 16 5.914 0.138 6.349
133 H TYR 17 H TYR 17 4.212 -1.159 1.973
134 HA TYR 17 HA TYR 17 2.936 0.964 0.389
135 HB2 TYR 17 HB2 TYR 17 3.924 0.335 -1.700
136 HB3 TYR 17 HB3 TYR 17 5.226 0.709 -0.610
137 HD1 TYR 17 HD1 TYR 17 6.530 -1.249 0.484
138 HD2 TYR 17 HD2 TYR 17 3.842 -1.732 -2.857
139 HE1 TYR 17 HE1 TYR 17 7.717 -3.338 -0.185
140 HE2 TYR 17 HE2 TYR 17 4.993 -3.840 -3.486
141 HH TYR 17 HH TYR 17 6.873 -5.115 -3.151
142 H TYR 18 H TYR 18 1.763 -0.306 -1.523
143 HA TYR 18 HA TYR 18 0.399 -2.693 -0.365
144 HB2 TYR 18 HB2 TYR 18 -0.689 -0.496 -2.144
145 HB3 TYR 18 HB3 TYR 18 -1.553 -1.975 -1.705
146 HD1 TYR 18 HD1 TYR 18 -2.492 -2.308 0.524
147 HD2 TYR 18 HD2 TYR 18 -0.216 1.233 -0.429
148 HE1 TYR 18 HE1 TYR 18 -3.264 -1.229 2.639
149 HE2 TYR 18 HE2 TYR 18 -0.959 2.289 1.699
150 HH TYR 18 HH TYR 18 -2.185 2.032 3.608
151 H PHE 19 H PHE 19 0.129 -4.522 -1.544
152 HA PHE 19 HA PHE 19 1.122 -4.577 -4.358
153 HB2 PHE 19 HB2 PHE 19 3.011 -5.110 -2.983
154 HB3 PHE 19 HB3 PHE 19 2.085 -6.313 -2.080
155 HD1 PHE 19 HD1 PHE 19 3.356 -5.419 -5.439
156 HD2 PHE 19 HD2 PHE 19 1.845 -8.608 -2.957
157 HE1 PHE 19 HE1 PHE 19 3.902 -7.028 -7.204
158 HE2 PHE 19 HE2 PHE 19 2.488 -10.252 -4.700
159 HZ PHE 19 HZ PHE 19 3.513 -9.483 -6.832
160 H ASN 20 H ASN 20 0.092 -5.887 -5.753
161 HA ASN 20 HA ASN 20 -2.234 -7.411 -4.702
162 HB2 ASN 20 HB2 ASN 20 -2.518 -5.609 -6.442
163 HB3 ASN 20 HB3 ASN 20 -1.650 -6.657 -7.577
164 HD21 ASN 20 HD21 ASN 20 -4.675 -5.750 -6.772
165 HD22 ASN 20 HD22 ASN 20 -5.553 -7.245 -7.041
166 H HIS 21 H HIS 21 -1.936 -9.530 -4.367
167 HA HIS 21 HA HIS 21 0.367 -10.927 -5.454
168 HB2 HIS 21 HB2 HIS 21 -0.087 -12.554 -3.944
169 HB3 HIS 21 HB3 HIS 21 -0.876 -11.193 -3.152
170 HD2 HIS 21 HD2 HIS 21 -3.516 -11.372 -2.781
171 HE1 HIS 21 HE1 HIS 21 -4.090 -15.255 -4.443
172 HE2 HIS 21 HE2 HIS 21 -5.178 -13.392 -3.090
173 H ILE 22 H ILE 22 -2.897 -10.568 -6.590
174 HA ILE 22 HA ILE 22 -2.937 -12.998 -8.234
175 HB ILE 22 HB ILE 22 -4.823 -10.595 -8.124
176 HG12 ILE 22 HG12 ILE 22 -4.895 -13.279 -6.651
177 HG13 ILE 22 HG13 ILE 22 -4.705 -11.676 -5.934
178 HG21 ILE 22 HG21 ILE 22 -5.028 -11.892 -10.225
179 HG22 ILE 22 HG22 ILE 22 -5.241 -13.386 -9.284
180 HG23 ILE 22 HG23 ILE 22 -6.451 -12.082 -9.226
181 HD11 ILE 22 HD11 ILE 22 -7.020 -11.092 -6.761
182 HD12 ILE 22 HD12 ILE 22 -7.218 -12.809 -7.197
183 HD13 ILE 22 HD13 ILE 22 -6.934 -12.353 -5.512
184 H THR 23 H THR 23 -2.524 -9.508 -8.692
185 HA THR 23 HA THR 23 -2.079 -9.866 -11.604
186 HB THR 23 HB THR 23 -2.858 -7.703 -11.959
187 HG1 THR 23 HG1 THR 23 -3.480 -6.598 -9.837
188 HG21 THR 23 HG21 THR 23 -4.685 -9.304 -11.264
189 HG22 THR 23 HG22 THR 23 -4.587 -8.624 -9.623
190 HG23 THR 23 HG23 THR 23 -5.050 -7.592 -10.989
191 H ASN 24 H ASN 24 -0.173 -9.305 -8.918
192 HA ASN 24 HA ASN 24 1.870 -8.578 -8.497
193 HB2 ASN 24 HB2 ASN 24 2.420 -8.861 -11.468
194 HB3 ASN 24 HB3 ASN 24 3.635 -8.681 -10.196
195 HD21 ASN 24 HD21 ASN 24 2.146 -10.978 -12.080
196 HD22 ASN 24 HD22 ASN 24 2.424 -12.361 -11.018
197 H ALA 25 H ALA 25 -0.314 -6.568 -9.506
198 HA ALA 25 HA ALA 25 1.185 -4.186 -10.161
199 HB1 ALA 25 HB1 ALA 25 -1.566 -4.516 -8.892
200 HB2 ALA 25 HB2 ALA 25 -0.920 -3.036 -9.631
201 HB3 ALA 25 HB3 ALA 25 -1.226 -4.464 -10.637
202 H SER 26 H SER 26 1.538 -2.331 -8.777
203 HA SER 26 HA SER 26 1.544 -2.769 -5.862
204 HB2 SER 26 HB2 SER 26 3.834 -2.002 -5.571
205 HB3 SER 26 HB3 SER 26 3.759 -3.521 -6.468
206 HG SER 26 HG SER 26 4.162 -2.420 -8.360
207 H GLN 27 H GLN 27 1.532 -0.864 -4.615
208 HA GLN 27 HA GLN 27 1.493 1.776 -5.966
209 HB2 GLN 27 HB2 GLN 27 -0.864 0.592 -4.437
210 HB3 GLN 27 HB3 GLN 27 -0.607 2.329 -4.649
211 HG2 GLN 27 HG2 GLN 27 -0.662 2.081 -7.083
212 HG3 GLN 27 HG3 GLN 27 -1.015 0.350 -6.902
213 HE21 GLN 27 HE21 GLN 27 -2.617 2.356 -4.472
214 HE22 GLN 27 HE22 GLN 27 -4.141 2.465 -5.359
215 H PHE 28 H PHE 28 2.144 3.449 -4.744
216 HA PHE 28 HA PHE 28 2.943 2.985 -1.959
217 HB2 PHE 28 HB2 PHE 28 3.377 5.267 -3.860
218 HB3 PHE 28 HB3 PHE 28 3.669 5.430 -2.126
219 HD1 PHE 28 HD1 PHE 28 4.903 3.915 -5.240
220 HD2 PHE 28 HD2 PHE 28 5.406 4.116 -0.958
221 HE1 PHE 28 HE1 PHE 28 7.169 2.920 -5.456
222 HE2 PHE 28 HE2 PHE 28 7.676 3.134 -1.182
223 HZ PHE 28 HZ PHE 28 8.562 2.535 -3.431
224 H GLU 29 H GLU 29 0.130 4.065 -3.458
225 HA GLU 29 HA GLU 29 -0.926 5.267 -0.938
226 HB2 GLU 29 HB2 GLU 29 -0.879 6.796 -2.879
227 HB3 GLU 29 HB3 GLU 29 -1.830 5.646 -3.817
228 HG2 GLU 29 HG2 GLU 29 -3.219 7.476 -3.013
229 HG3 GLU 29 HG3 GLU 29 -3.754 5.957 -2.316
230 H ARG 30 H ARG 30 -2.971 4.635 -0.209
231 HA ARG 30 HA ARG 30 -3.399 1.827 -0.259
232 HB2 ARG 30 HB2 ARG 30 -3.765 3.149 1.680
233 HB3 ARG 30 HB3 ARG 30 -4.993 4.132 0.903
234 HG2 ARG 30 HG2 ARG 30 -5.439 1.147 1.072
235 HG3 ARG 30 HG3 ARG 30 -5.574 2.101 2.558
236 HD2 ARG 30 HD2 ARG 30 -7.521 3.092 1.962
237 HD3 ARG 30 HD3 ARG 30 -7.023 3.330 0.294
238 HE ARG 30 HE ARG 30 -7.980 1.348 -0.351
239 HH11 ARG 30 HH11 ARG 30 -7.820 1.139 3.164
240 HH12 ARG 30 HH12 ARG 30 -8.774 -0.333 3.142
241 HH21 ARG 30 HH21 ARG 30 -9.311 -0.326 -0.219
242 HH22 ARG 30 HH22 ARG 30 -9.627 -1.083 1.345
243 HA PRO 31 HA PRO 31 -5.699 1.711 -4.044
244 HB2 PRO 31 HB2 PRO 31 -6.158 -0.966 -4.305
245 HB3 PRO 31 HB3 PRO 31 -4.521 -0.249 -4.417
246 HG2 PRO 31 HG2 PRO 31 -5.831 -1.500 -1.986
247 HG3 PRO 31 HG3 PRO 31 -4.206 -1.852 -2.661
248 HD2 PRO 31 HD2 PRO 31 -4.523 -0.131 -0.601
249 HD3 PRO 31 HD3 PRO 31 -3.334 0.196 -1.899
250 H SER 32 H SER 32 -7.764 1.839 -4.778
251 HA SER 32 HA SER 32 -9.979 1.281 -2.832
252 HB2 SER 32 HB2 SER 32 -9.561 3.722 -4.585
253 HB3 SER 32 HB3 SER 32 -10.999 3.398 -3.601
254 HG SER 32 HG SER 32 -8.335 3.736 -2.672
255 H GLY 33 H GLY 33 -8.971 0.005 -5.573
256 HA2 GLY 33 HA2 GLY 33 -11.501 -1.103 -6.337
257 HA3 GLY 33 HA3 GLY 33 -11.013 0.126 -7.508
258 H1 GAL 101 H1 GAL 34 11.842 1.592 0.457
259 H2 GAL 101 H2 GAL 34 13.266 4.100 -0.588
260 H3 GAL 101 H3 GAL 34 10.418 3.049 -1.002
261 H4 GAL 101 H4 GAL 34 11.056 2.640 -3.328
262 H5 GAL 101 H5 GAL 34 11.481 0.771 -1.842
263 H61 GAL 101 H61 GAL 34 12.283 0.301 -4.085
264 H62 GAL 101 H62 GAL 34 13.818 1.139 -3.766
265 HO2 GAL 101 H2O GAL 34 12.584 4.557 1.447
266 HO3 GAL 101 H3O GAL 34 10.769 5.386 -1.000
267 HO4 GAL 101 H4O GAL 34 12.630 4.402 -3.289
268 HO6 GAL 101 H6O GAL 34 14.011 -0.392 -1.938