Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
591736 | 2mxe RC | 25405 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ALA 79 H1 ALA 79 2.807 0.945 -1.704
2 HA ALA 79 HA ALA 79 5.102 0.522 -2.328
3 HB1 ALA 79 HB1 ALA 79 4.169 1.152 -5.167
4 HB2 ALA 79 HB2 ALA 79 5.842 0.845 -4.649
5 HB3 ALA 79 HB3 ALA 79 4.638 -0.447 -4.550
6 H ARG 80 H ARG 80 6.419 2.099 -1.782
7 HA ARG 80 HA ARG 80 7.308 4.123 -1.280
8 HB2 ARG 80 HB2 ARG 80 6.492 4.740 -4.110
9 HB3 ARG 80 HB3 ARG 80 7.763 5.523 -3.145
10 HG2 ARG 80 HG2 ARG 80 8.871 3.323 -2.838
11 HG3 ARG 80 HG3 ARG 80 7.734 2.591 -3.975
12 HD2 ARG 80 HD2 ARG 80 9.622 4.901 -4.616
13 HD3 ARG 80 HD3 ARG 80 9.913 3.196 -5.017
14 HE ARG 80 HE ARG 80 7.408 3.824 -6.125
15 HH11 ARG 80 HH11 ARG 80 10.712 4.840 -6.666
16 HH12 ARG 80 HH12 ARG 80 10.424 5.225 -8.344
17 HH21 ARG 80 HH21 ARG 80 7.095 4.353 -8.272
18 HH22 ARG 80 HH22 ARG 80 8.432 4.933 -9.223
19 H LYS 81 H LYS 81 4.503 4.071 -0.389
20 HA LYS 81 HA LYS 81 3.572 6.878 -0.490
21 HB2 LYS 81 HB2 LYS 81 2.756 4.382 1.027
22 HB3 LYS 81 HB3 LYS 81 2.379 5.951 1.733
23 HG2 LYS 81 HG2 LYS 81 0.493 5.158 0.460
24 HG3 LYS 81 HG3 LYS 81 1.140 6.654 -0.220
25 HD2 LYS 81 HD2 LYS 81 2.221 5.385 -2.054
26 HD3 LYS 81 HD3 LYS 81 1.711 3.866 -1.303
27 HE2 LYS 81 HE2 LYS 81 0.222 4.284 -3.113
28 HE3 LYS 81 HE3 LYS 81 -0.680 4.522 -1.617
29 HZ1 LYS 81 HZ1 LYS 81 0.453 6.717 -3.299
30 HZ2 LYS 81 HZ2 LYS 81 -1.120 6.288 -3.251
31 HZ3 LYS 81 HZ3 LYS 81 -0.427 6.950 -1.935
32 H VAL 82 H VAL 82 3.557 8.293 1.235
33 HA VAL 82 HA VAL 82 6.198 8.634 2.424
34 HB VAL 82 HB VAL 82 3.633 10.235 2.751
35 HG11 VAL 82 HG11 VAL 82 4.988 10.708 4.720
36 HG12 VAL 82 HG12 VAL 82 6.461 10.871 3.727
37 HG13 VAL 82 HG13 VAL 82 5.150 12.058 3.604
38 HG21 VAL 82 HG21 VAL 82 6.186 10.790 1.163
39 HG22 VAL 82 HG22 VAL 82 4.631 10.280 0.462
40 HG23 VAL 82 HG23 VAL 82 4.763 11.850 1.264
41 H LYS 83 H LYS 83 6.901 8.140 4.379
42 HA LYS 83 HA LYS 83 5.007 7.319 6.558
43 HB2 LYS 83 HB2 LYS 83 7.932 6.659 6.029
44 HB3 LYS 83 HB3 LYS 83 7.215 6.561 7.650
45 HG2 LYS 83 HG2 LYS 83 5.512 4.986 6.846
46 HG3 LYS 83 HG3 LYS 83 6.254 4.995 5.229
47 HD2 LYS 83 HD2 LYS 83 8.315 4.053 6.092
48 HD3 LYS 83 HD3 LYS 83 7.781 4.261 7.771
49 HE2 LYS 83 HE2 LYS 83 5.986 2.635 7.477
50 HE3 LYS 83 HE3 LYS 83 6.389 2.440 5.764
51 HZ1 LYS 83 HZ1 LYS 83 8.266 1.785 8.007
52 HZ2 LYS 83 HZ2 LYS 83 7.377 0.674 7.190
53 HZ3 LYS 83 HZ3 LYS 83 8.542 1.523 6.417
54 H GLN 84 H GLN 84 4.598 8.840 7.908
55 HA GLN 84 HA GLN 84 6.418 11.129 8.457
56 HB2 GLN 84 HB2 GLN 84 4.068 11.660 8.200
57 HB3 GLN 84 HB3 GLN 84 3.590 10.333 9.245
58 HG2 GLN 84 HG2 GLN 84 4.650 11.522 11.192
59 HG3 GLN 84 HG3 GLN 84 5.031 12.873 10.112
60 HE21 GLN 84 HE22 GLN 84 2.193 10.789 11.065
61 HE22 GLN 84 HE21 GLN 84 1.070 12.148 11.126
62 H TYR 85 H TYR 85 7.500 11.271 10.418
63 HA TYR 85 HA TYR 85 7.115 9.118 12.463
64 HB2 TYR 85 HB2 TYR 85 9.803 10.154 11.484
65 HB3 TYR 85 HB3 TYR 85 9.561 9.085 12.840
66 HD1 TYR 85 HD1 TYR 85 9.276 9.307 9.109
67 HD2 TYR 85 HD2 TYR 85 9.543 6.743 12.562
68 HE1 TYR 85 HE1 TYR 85 9.801 7.371 7.636
69 HE2 TYR 85 HE2 TYR 85 10.086 4.809 11.093
70 HH TYR 85 HH TYR 85 10.619 4.135 8.950
71 H LYS 86 H LYS 86 7.583 9.813 14.593
72 HA LYS 86 HA LYS 86 8.192 12.698 15.059
73 HB2 LYS 86 HB2 LYS 86 5.749 12.383 15.180
74 HB3 LYS 86 HB3 LYS 86 5.958 11.058 16.340
75 HG2 LYS 86 HG2 LYS 86 6.829 12.579 18.032
76 HG3 LYS 86 HG3 LYS 86 6.858 13.917 16.874
77 HD2 LYS 86 HD2 LYS 86 4.383 13.794 16.670
78 HD3 LYS 86 HD3 LYS 86 4.358 12.454 17.832
79 HE2 LYS 86 HE2 LYS 86 5.402 13.946 19.549
80 HE3 LYS 86 HE3 LYS 86 5.406 15.276 18.386
81 HZ1 LYS 86 HZ1 LYS 86 2.960 15.146 18.327
82 HZ2 LYS 86 HZ2 LYS 86 2.955 13.916 19.405
83 HZ3 LYS 86 HZ3 LYS 86 3.470 15.399 19.852
84 H ASN 87 H ASN 87 9.472 13.072 16.841
85 HA ASN 87 HA ASN 87 10.431 10.643 18.348
86 HB2 ASN 87 HB2 ASN 87 12.051 11.577 16.767
87 HB3 ASN 87 HB3 ASN 87 12.046 13.104 17.646
88 HD21 ASN 87 HD22 ASN 87 14.425 11.781 17.338
89 HD22 ASN 87 HD21 ASN 87 14.895 11.032 18.859
90 HA PRO 88 HA PRO 88 8.273 12.972 21.693
91 HB2 PRO 88 HB2 PRO 88 9.115 10.352 22.957
92 HB3 PRO 88 HB3 PRO 88 7.615 11.297 23.224
93 HG2 PRO 88 HG2 PRO 88 7.586 9.155 21.574
94 HG3 PRO 88 HG3 PRO 88 6.746 10.672 21.095
95 HD2 PRO 88 HD2 PRO 88 9.417 9.625 20.173
96 HD3 PRO 88 HD3 PRO 88 8.124 10.455 19.247
97 H HIS 89 H HIS 89 11.538 11.597 21.640
98 HA HIS 89 HA HIS 89 12.416 12.685 24.182
99 HB2 HIS 89 HB2 HIS 89 14.121 11.845 21.796
100 HB3 HIS 89 HB3 HIS 89 14.637 11.989 23.471
101 HD1 HIS 89 HD1 HIS 89 12.958 9.579 21.116
102 HD2 HIS 89 HD2 HIS 89 13.550 10.142 25.261
103 HE1 HIS 89 HE1 HIS 89 12.311 7.336 22.274
104 HE2 HIS 89 HE2 HIS 89 12.694 7.696 24.792
105 H THR 90 H THR 90 12.178 14.084 20.984
106 HA THR 90 HA THR 90 13.603 16.566 21.897
107 HB THR 90 HB THR 90 14.355 16.839 19.609
108 HG1 THR 90 HG1 THR 90 13.867 15.248 18.082
109 HG21 THR 90 HG21 THR 90 15.878 14.966 19.368
110 HG22 THR 90 HG22 THR 90 15.720 15.322 21.101
111 HG23 THR 90 HG23 THR 90 14.856 13.935 20.388
112 H GLY 91 H GLY 91 10.695 15.297 20.426
113 HA2 GLY 91 HA2 GLY 91 8.641 16.430 20.250
114 HA3 GLY 91 HA3 GLY 91 9.466 17.993 20.298
115 H GLU 92 H GLU 92 11.313 16.309 18.140
116 HA GLU 92 HA GLU 92 10.311 17.712 15.869
117 HB2 GLU 92 HB2 GLU 92 12.495 15.737 16.430
118 HB3 GLU 92 HB3 GLU 92 11.934 15.833 14.759
119 HG2 GLU 92 HG2 GLU 92 12.273 18.072 14.549
120 HG3 GLU 92 HG3 GLU 92 12.636 18.303 16.288
121 H VAL 93 H VAL 93 9.431 17.103 13.976
122 HA VAL 93 HA VAL 93 8.406 14.352 13.551
123 HB VAL 93 HB VAL 93 7.096 16.971 12.782
124 HG11 VAL 93 HG11 VAL 93 6.529 15.153 11.196
125 HG12 VAL 93 HG12 VAL 93 6.064 14.104 12.555
126 HG13 VAL 93 HG13 VAL 93 5.128 15.566 12.181
127 HG21 VAL 93 HG21 VAL 93 6.916 16.716 15.159
128 HG22 VAL 93 HG22 VAL 93 5.332 16.448 14.414
129 HG23 VAL 93 HG23 VAL 93 6.294 15.054 14.975
130 H ILE 94 H ILE 94 8.668 13.608 11.477
131 HA ILE 94 HA ILE 94 9.767 15.319 9.334
132 HB ILE 94 HB ILE 94 11.510 13.640 8.803
133 HG12 ILE 94 HG12 ILE 94 10.841 12.411 11.506
134 HG13 ILE 94 HG13 ILE 94 10.532 11.689 9.924
135 HG21 ILE 94 HG21 ILE 94 12.004 15.725 10.051
136 HG22 ILE 94 HG22 ILE 94 11.908 14.814 11.575
137 HG23 ILE 94 HG23 ILE 94 13.149 14.426 10.376
138 HD11 ILE 94 HD11 ILE 94 12.481 10.661 10.892
139 HD12 ILE 94 HD12 ILE 94 12.968 11.617 9.480
140 HD13 ILE 94 HD13 ILE 94 13.271 12.224 11.132
141 H GLU 95 H GLU 95 9.772 14.243 7.301
142 HA GLU 95 HA GLU 95 7.958 11.912 6.903
143 HB2 GLU 95 HB2 GLU 95 7.737 14.676 5.636
144 HB3 GLU 95 HB3 GLU 95 7.028 13.239 4.897
145 HG2 GLU 95 HG2 GLU 95 5.531 12.893 6.735
146 HG3 GLU 95 HG3 GLU 95 6.331 14.123 7.719
147 H THR 96 H THR 96 8.615 10.534 5.394
148 HA THR 96 HA THR 96 10.343 11.318 3.128
149 HB THR 96 HB THR 96 12.067 10.876 4.688
150 HG1 THR 96 HG1 THR 96 13.042 9.139 3.706
151 HG21 THR 96 HG21 THR 96 12.287 8.775 5.964
152 HG22 THR 96 HG22 THR 96 10.866 9.692 6.489
153 HG23 THR 96 HG23 THR 96 10.665 8.270 5.433
154 H LYS 97 H LYS 97 10.455 9.612 1.480
155 HA LYS 97 HA LYS 97 8.098 7.773 1.459
156 HB2 LYS 97 HB2 LYS 97 10.196 8.436 -0.653
157 HB3 LYS 97 HB3 LYS 97 8.871 7.283 -0.869
158 HG2 LYS 97 HG2 LYS 97 7.220 9.085 -0.395
159 HG3 LYS 97 HG3 LYS 97 8.550 10.257 -0.308
160 HD2 LYS 97 HD2 LYS 97 9.181 9.673 -2.671
161 HD3 LYS 97 HD3 LYS 97 7.858 8.507 -2.709
162 HE2 LYS 97 HE2 LYS 97 7.035 10.395 -3.844
163 HE3 LYS 97 HE3 LYS 97 6.231 10.389 -2.278
164 HZ1 LYS 97 HZ1 LYS 97 7.814 12.129 -1.550
165 HZ2 LYS 97 HZ2 LYS 97 8.580 12.084 -3.002
166 HZ3 LYS 97 HZ3 LYS 97 7.043 12.611 -2.903
167 H GLY 98 H GLY 98 11.165 7.571 2.724
168 HA2 GLY 98 HA2 GLY 98 11.685 5.472 3.880
169 HA3 GLY 98 HA3 GLY 98 11.254 4.576 2.426
170 H GLY 99 H GLY 99 12.994 7.341 1.510
171 HA2 GLY 99 HA2 GLY 99 15.365 5.839 0.750
172 HA3 GLY 99 HA3 GLY 99 15.065 7.552 0.493
173 H ASN 100 H ASN 100 17.526 7.132 1.034
174 HA ASN 100 HA ASN 100 18.359 6.950 3.773
175 HB2 ASN 100 HB2 ASN 100 19.797 6.396 1.847
176 HB3 ASN 100 HB3 ASN 100 19.768 8.083 1.326
177 HD21 ASN 100 HD22 ASN 100 22.110 8.142 1.499
178 HD22 ASN 100 HD21 ASN 100 22.860 8.250 3.082
179 H HIS 101 H HIS 101 16.932 8.376 4.872
180 HA HIS 101 HA HIS 101 17.402 11.316 4.589
181 HB2 HIS 101 HB2 HIS 101 15.111 10.366 4.306
182 HB3 HIS 101 HB3 HIS 101 15.139 9.807 5.974
183 HD1 HIS 101 HD1 HIS 101 14.833 11.751 7.850
184 HD2 HIS 101 HD2 HIS 101 14.792 12.986 3.826
185 HE1 HIS 101 HE1 HIS 101 14.213 14.267 7.883
186 HE2 HIS 101 HE2 HIS 101 14.116 14.981 5.399
187 H LYS 102 H LYS 102 19.265 11.618 5.716
188 HA LYS 102 HA LYS 102 20.479 10.339 7.733
189 HB2 LYS 102 HB2 LYS 102 21.304 12.320 6.433
190 HB3 LYS 102 HB3 LYS 102 20.350 13.378 7.449
191 HG2 LYS 102 HG2 LYS 102 22.610 13.510 8.152
192 HG3 LYS 102 HG3 LYS 102 21.725 12.691 9.434
193 HD2 LYS 102 HD2 LYS 102 22.683 10.530 8.807
194 HD3 LYS 102 HD3 LYS 102 23.267 11.192 7.274
195 HE2 LYS 102 HE2 LYS 102 25.198 11.075 8.592
196 HE3 LYS 102 HE3 LYS 102 24.748 12.775 8.565
197 HZ1 LYS 102 HZ1 LYS 102 25.328 12.138 10.801
198 HZ2 LYS 102 HZ2 LYS 102 23.715 12.413 10.829
199 HZ3 LYS 102 HZ3 LYS 102 24.299 10.874 10.812
200 H THR 103 H THR 103 18.147 12.940 8.564
201 HA THR 103 HA THR 103 18.344 12.732 11.357
202 HB THR 103 HB THR 103 15.830 13.381 9.757
203 HG1 THR 103 HG1 THR 103 16.691 15.522 9.828
204 HG21 THR 103 HG21 THR 103 16.747 14.390 12.483
205 HG22 THR 103 HG22 THR 103 15.316 14.947 11.576
206 HG23 THR 103 HG23 THR 103 15.382 13.290 12.181
207 H LEU 104 H LEU 104 16.441 10.649 9.191
208 HA LEU 104 HA LEU 104 14.968 9.315 11.381
209 HB2 LEU 104 HB2 LEU 104 13.972 9.416 9.111
210 HB3 LEU 104 HB3 LEU 104 15.404 8.641 8.422
211 HG LEU 104 HG LEU 104 14.905 6.584 9.720
212 HD11 LEU 104 HD11 LEU 104 12.724 6.254 10.736
213 HD12 LEU 104 HD12 LEU 104 13.592 7.548 11.572
214 HD13 LEU 104 HD13 LEU 104 12.286 7.950 10.428
215 HD21 LEU 104 HD21 LEU 104 13.050 5.826 8.361
216 HD22 LEU 104 HD22 LEU 104 12.582 7.502 7.999
217 HD23 LEU 104 HD23 LEU 104 14.123 6.847 7.385
218 H LYS 105 H LYS 105 17.789 8.617 9.227
219 HA LYS 105 HA LYS 105 18.466 6.110 10.296
220 HB2 LYS 105 HB2 LYS 105 19.414 7.394 8.254
221 HB3 LYS 105 HB3 LYS 105 20.535 8.149 9.427
222 HG2 LYS 105 HG2 LYS 105 21.358 5.906 10.066
223 HG3 LYS 105 HG3 LYS 105 20.204 5.156 8.944
224 HD2 LYS 105 HD2 LYS 105 21.316 6.304 7.035
225 HD3 LYS 105 HD3 LYS 105 22.486 7.031 8.158
226 HE2 LYS 105 HE2 LYS 105 23.223 4.751 8.853
227 HE3 LYS 105 HE3 LYS 105 22.056 4.031 7.745
228 HZ1 LYS 105 HZ1 LYS 105 24.271 4.130 6.745
229 HZ2 LYS 105 HZ2 LYS 105 23.264 5.080 5.889
230 HZ3 LYS 105 HZ3 LYS 105 24.346 5.751 6.913
231 H GLU 106 H GLU 106 19.529 9.332 11.372
232 HA GLU 106 HA GLU 106 21.099 8.445 13.528
233 HB2 GLU 106 HB2 GLU 106 19.636 11.019 12.884
234 HB3 GLU 106 HB3 GLU 106 20.284 10.791 14.513
235 HG2 GLU 106 HG2 GLU 106 22.501 10.224 13.549
236 HG3 GLU 106 HG3 GLU 106 21.849 10.546 11.930
237 H TRP 107 H TRP 107 17.598 9.167 13.485
238 HA TRP 107 HA TRP 107 17.195 8.595 16.265
239 HB2 TRP 107 HB2 TRP 107 15.255 8.430 13.935
240 HB3 TRP 107 HB3 TRP 107 14.800 8.298 15.621
241 HD1 TRP 107 HD1 TRP 107 17.285 10.934 15.670
242 HE1 TRP 107 HE1 TRP 107 16.276 13.268 15.503
243 HE3 TRP 107 HE3 TRP 107 12.562 9.688 14.072
244 HZ2 TRP 107 HZ2 TRP 107 13.819 14.459 14.718
245 HZ3 TRP 107 HZ3 TRP 107 10.888 11.480 13.660
246 HH2 TRP 107 HH2 TRP 107 11.516 13.886 13.954
247 H LYS 108 H LYS 108 17.040 6.456 13.399
248 HA LYS 108 HA LYS 108 16.250 4.052 14.837
249 HB2 LYS 108 HB2 LYS 108 17.760 4.405 12.198
250 HB3 LYS 108 HB3 LYS 108 17.107 2.853 12.820
251 HG2 LYS 108 HG2 LYS 108 14.819 3.855 12.856
252 HG3 LYS 108 HG3 LYS 108 15.454 5.349 12.237
253 HD2 LYS 108 HD2 LYS 108 14.561 4.509 10.355
254 HD3 LYS 108 HD3 LYS 108 16.211 3.898 10.164
255 HE2 LYS 108 HE2 LYS 108 15.507 1.692 10.849
256 HE3 LYS 108 HE3 LYS 108 13.947 2.319 11.460
257 HZ1 LYS 108 HZ1 LYS 108 13.144 2.636 9.285
258 HZ2 LYS 108 HZ2 LYS 108 14.640 2.455 8.571
259 HZ3 LYS 108 HZ3 LYS 108 13.867 1.176 9.218
260 H ALA 109 H ALA 109 19.415 5.463 14.115
261 HA ALA 109 HA ALA 109 20.955 3.329 15.295
262 HB1 ALA 109 HB1 ALA 109 21.858 4.942 13.666
263 HB2 ALA 109 HB2 ALA 109 21.643 6.263 14.839
264 HB3 ALA 109 HB3 ALA 109 22.799 4.955 15.170
265 H LYS 110 H LYS 110 19.608 6.334 16.622
266 HA LYS 110 HA LYS 110 20.932 5.891 19.236
267 HB2 LYS 110 HB2 LYS 110 19.462 8.263 18.045
268 HB3 LYS 110 HB3 LYS 110 20.012 8.214 19.723
269 HG2 LYS 110 HG2 LYS 110 22.318 7.741 19.010
270 HG3 LYS 110 HG3 LYS 110 21.848 7.803 17.315
271 HD2 LYS 110 HD2 LYS 110 21.452 10.179 19.182
272 HD3 LYS 110 HD3 LYS 110 22.994 9.847 18.390
273 HE2 LYS 110 HE2 LYS 110 21.860 9.879 16.162
274 HE3 LYS 110 HE3 LYS 110 20.348 10.345 16.961
275 HZ1 LYS 110 HZ1 LYS 110 21.727 12.265 16.056
276 HZ2 LYS 110 HZ2 LYS 110 21.393 12.413 17.665
277 HZ3 LYS 110 HZ3 LYS 110 22.871 11.935 17.163
278 H TRP 111 H TRP 111 17.674 5.420 18.115
279 HA TRP 111 HA TRP 111 16.963 4.598 20.918
280 HB2 TRP 111 HB2 TRP 111 15.246 6.050 18.884
281 HB3 TRP 111 HB3 TRP 111 14.613 5.279 20.333
282 HD1 TRP 111 HD1 TRP 111 15.490 6.203 22.730
283 HE1 TRP 111 HE1 TRP 111 16.220 8.543 23.489
284 HE3 TRP 111 HE3 TRP 111 16.306 8.298 18.159
285 HZ2 TRP 111 HZ2 TRP 111 17.121 11.000 22.258
286 HZ3 TRP 111 HZ3 TRP 111 17.179 10.634 17.970
287 HH2 TRP 111 HH2 TRP 111 17.573 11.991 20.010
288 H GLY 112 H GLY 112 17.457 3.355 17.854
289 HA2 GLY 112 HA2 GLY 112 17.428 1.027 17.506
290 HA3 GLY 112 HA3 GLY 112 16.050 0.824 18.573
291 HA PRO 113 HA PRO 113 14.897 1.941 13.975
292 HB2 PRO 113 HB2 PRO 113 15.063 -0.499 12.603
293 HB3 PRO 113 HB3 PRO 113 16.277 0.808 12.573
294 HG2 PRO 113 HG2 PRO 113 16.264 -1.677 14.257
295 HG3 PRO 113 HG3 PRO 113 17.637 -0.868 13.392
296 HD2 PRO 113 HD2 PRO 113 17.245 -0.613 16.057
297 HD3 PRO 113 HD3 PRO 113 17.848 0.743 15.048
298 H GLU 114 H GLU 114 14.179 -1.068 15.806
299 HA GLU 114 HA GLU 114 11.580 -1.470 14.688
300 HB2 GLU 114 HB2 GLU 114 12.823 -2.340 17.331
301 HB3 GLU 114 HB3 GLU 114 11.242 -2.892 16.749
302 HG2 GLU 114 HG2 GLU 114 12.311 -3.823 14.708
303 HG3 GLU 114 HG3 GLU 114 13.896 -3.332 15.316
304 H ALA 115 H ALA 115 12.713 0.323 17.523
305 HA ALA 115 HA ALA 115 10.113 1.132 18.514
306 HB1 ALA 115 HB1 ALA 115 12.872 2.406 18.806
307 HB2 ALA 115 HB2 ALA 115 11.437 2.838 19.754
308 HB3 ALA 115 HB3 ALA 115 12.146 1.210 19.896
309 H VAL 116 H VAL 116 12.525 2.742 16.395
310 HA VAL 116 HA VAL 116 10.950 5.071 15.884
311 HB VAL 116 HB VAL 116 13.212 3.808 14.326
312 HG11 VAL 116 HG11 VAL 116 13.547 6.113 13.375
313 HG12 VAL 116 HG12 VAL 116 12.058 5.346 12.812
314 HG13 VAL 116 HG13 VAL 116 11.989 6.595 14.077
315 HG21 VAL 116 HG21 VAL 116 13.152 6.136 16.287
316 HG22 VAL 116 HG22 VAL 116 13.794 4.545 16.662
317 HG23 VAL 116 HG23 VAL 116 14.569 5.526 15.431
318 H GLU 117 H GLU 117 11.076 1.953 14.018
319 HA GLU 117 HA GLU 117 9.208 2.933 12.026
320 HB2 GLU 117 HB2 GLU 117 9.980 0.126 12.916
321 HB3 GLU 117 HB3 GLU 117 8.798 0.438 11.654
322 HG2 GLU 117 HG2 GLU 117 11.724 1.272 11.592
323 HG3 GLU 117 HG3 GLU 117 10.977 -0.030 10.673
324 H SER 118 H SER 118 8.782 1.698 15.318
325 HA SER 118 HA SER 118 5.901 1.391 15.105
326 HB2 SER 118 HB2 SER 118 7.209 0.306 16.813
327 HB3 SER 118 HB3 SER 118 7.501 1.878 17.607
328 HG SER 118 HG SER 118 5.680 0.723 18.480
329 H TRP 119 H TRP 119 8.067 4.182 15.620
330 HA TRP 119 HA TRP 119 5.954 6.073 16.280
331 HB2 TRP 119 HB2 TRP 119 8.595 6.727 14.953
332 HB3 TRP 119 HB3 TRP 119 7.544 7.795 15.846
333 HD1 TRP 119 HD1 TRP 119 7.492 5.349 18.284
334 HE1 TRP 119 HE1 TRP 119 9.415 5.470 19.963
335 HE3 TRP 119 HE3 TRP 119 10.730 8.376 15.646
336 HZ2 TRP 119 HZ2 TRP 119 12.068 6.556 20.084
337 HZ3 TRP 119 HZ3 TRP 119 12.874 9.055 16.667
338 HH2 TRP 119 HH2 TRP 119 13.585 8.133 18.858
339 H ALA 120 H ALA 120 6.862 4.501 13.316
340 HA ALA 120 HA ALA 120 6.365 6.621 11.510
341 HB1 ALA 120 HB1 ALA 120 7.621 4.466 11.035
342 HB2 ALA 120 HB2 ALA 120 6.043 3.680 10.840
343 HB3 ALA 120 HB3 ALA 120 6.508 5.012 9.764
344 H THR 121 H THR 121 4.633 7.207 10.256
345 HA THR 121 HA THR 121 2.062 5.695 10.326
346 HB THR 121 HB THR 121 0.984 8.075 10.207
347 HG1 THR 121 HG1 THR 121 3.326 8.640 11.722
348 HG21 THR 121 HG21 THR 121 0.664 8.167 12.631
349 HG22 THR 121 HG22 THR 121 0.539 6.503 12.033
350 HG23 THR 121 HG23 THR 121 2.016 7.038 12.873
351 H LEU 122 H LEU 122 1.451 5.176 8.435
352 HA LEU 122 HA LEU 122 2.655 6.279 6.006
353 HB2 LEU 122 HB2 LEU 122 0.580 4.174 6.704
354 HB3 LEU 122 HB3 LEU 122 0.907 4.598 5.019
355 HG LEU 122 HG LEU 122 3.117 3.698 6.916
356 HD11 LEU 122 HD11 LEU 122 1.448 1.995 5.007
357 HD12 LEU 122 HD12 LEU 122 2.894 1.454 5.890
358 HD13 LEU 122 HD13 LEU 122 1.429 1.904 6.781
359 HD21 LEU 122 HD21 LEU 122 2.865 3.706 3.865
360 HD22 LEU 122 HD22 LEU 122 3.829 4.852 4.808
361 HD23 LEU 122 HD23 LEU 122 4.271 3.138 4.787
362 H LEU 123 H LEU 123 1.974 8.094 5.032
363 HA LEU 123 HA LEU 123 -0.591 9.316 5.762
364 HB2 LEU 123 HB2 LEU 123 1.556 10.278 3.830
365 HB3 LEU 123 HB3 LEU 123 0.208 11.219 4.460
366 HG LEU 123 HG LEU 123 2.651 10.230 5.983
367 HD11 LEU 123 HD11 LEU 123 1.495 13.006 5.498
368 HD12 LEU 123 HD12 LEU 123 3.003 12.622 6.350
369 HD13 LEU 123 HD13 LEU 123 2.856 12.294 4.618
370 HD21 LEU 123 HD21 LEU 123 0.789 9.956 7.542
371 HD22 LEU 123 HD22 LEU 123 1.657 11.428 7.963
372 HD23 LEU 123 HD23 LEU 123 0.118 11.540 7.083
373 H GLY 124 H GLY 124 -1.309 7.056 4.675
374 HA2 GLY 124 HA2 GLY 124 -2.837 7.692 2.254
375 HA3 GLY 124 HA3 GLY 124 -1.524 6.535 1.989
376 H HIS 125 H HIS 125 -3.881 7.029 4.659
377 HA HIS 125 HA HIS 125 -5.002 4.315 4.277
378 HB2 HIS 125 HB2 HIS 125 -4.678 3.635 6.505
379 HB3 HIS 125 HB3 HIS 125 -3.103 4.178 5.941
380 HD1 HIS 125 HD1 HIS 125 -2.082 6.356 7.250
381 HD2 HIS 125 HD2 HIS 125 -5.944 5.075 8.390
382 HE1 HIS 125 HE1 HIS 125 -2.663 7.626 9.415
383 HE2 HIS 125 HE2 HIS 125 -5.015 6.829 10.111
Start of MODEL 2
1 H ALA 79 H1 ALA 79 1.930 0.578 0.099
2 HA ALA 79 HA ALA 79 4.595 0.570 -1.193
3 HB1 ALA 79 HB1 ALA 79 1.896 -0.211 -2.398
4 HB2 ALA 79 HB2 ALA 79 3.449 -0.129 -3.255
5 HB3 ALA 79 HB3 ALA 79 3.214 -1.328 -1.979
6 H ARG 80 H ARG 80 5.208 2.338 -2.222
7 HA ARG 80 HA ARG 80 5.301 4.452 -3.075
8 HB2 ARG 80 HB2 ARG 80 2.761 3.550 -4.374
9 HB3 ARG 80 HB3 ARG 80 3.833 4.885 -4.876
10 HG2 ARG 80 HG2 ARG 80 5.749 3.271 -4.998
11 HG3 ARG 80 HG3 ARG 80 4.624 1.947 -4.659
12 HD2 ARG 80 HD2 ARG 80 4.912 1.997 -7.016
13 HD3 ARG 80 HD3 ARG 80 3.297 2.602 -6.651
14 HE ARG 80 HE ARG 80 3.851 4.694 -7.476
15 HH11 ARG 80 HH11 ARG 80 6.844 2.861 -7.309
16 HH12 ARG 80 HH12 ARG 80 7.724 4.055 -8.225
17 HH21 ARG 80 HH21 ARG 80 5.035 6.164 -8.621
18 HH22 ARG 80 HH22 ARG 80 6.719 5.881 -8.945
19 H LYS 81 H LYS 81 4.332 4.624 -0.447
20 HA LYS 81 HA LYS 81 2.921 7.265 -0.541
21 HB2 LYS 81 HB2 LYS 81 2.177 4.843 1.164
22 HB3 LYS 81 HB3 LYS 81 1.706 6.493 1.601
23 HG2 LYS 81 HG2 LYS 81 0.528 6.743 -0.575
24 HG3 LYS 81 HG3 LYS 81 0.938 5.064 -0.976
25 HD2 LYS 81 HD2 LYS 81 -0.314 4.269 1.010
26 HD3 LYS 81 HD3 LYS 81 -0.737 5.946 1.418
27 HE2 LYS 81 HE2 LYS 81 -1.885 6.196 -0.774
28 HE3 LYS 81 HE3 LYS 81 -1.462 4.528 -1.187
29 HZ1 LYS 81 HZ1 LYS 81 -3.727 4.670 -0.321
30 HZ2 LYS 81 HZ2 LYS 81 -2.822 3.781 0.704
31 HZ3 LYS 81 HZ3 LYS 81 -3.226 5.323 1.084
32 H VAL 82 H VAL 82 3.209 8.581 1.215
33 HA VAL 82 HA VAL 82 5.928 8.672 2.262
34 HB VAL 82 HB VAL 82 3.445 10.386 2.633
35 HG11 VAL 82 HG11 VAL 82 4.667 10.745 4.698
36 HG12 VAL 82 HG12 VAL 82 6.209 10.920 3.806
37 HG13 VAL 82 HG13 VAL 82 4.929 12.129 3.641
38 HG21 VAL 82 HG21 VAL 82 4.687 11.991 1.257
39 HG22 VAL 82 HG22 VAL 82 6.094 10.910 1.220
40 HG23 VAL 82 HG23 VAL 82 4.578 10.443 0.409
41 H LYS 83 H LYS 83 6.662 8.346 4.296
42 HA LYS 83 HA LYS 83 4.753 7.531 6.464
43 HB2 LYS 83 HB2 LYS 83 7.588 6.585 5.891
44 HB3 LYS 83 HB3 LYS 83 6.872 6.512 7.515
45 HG2 LYS 83 HG2 LYS 83 5.013 5.153 6.696
46 HG3 LYS 83 HG3 LYS 83 5.693 5.168 5.054
47 HD2 LYS 83 HD2 LYS 83 7.638 3.925 5.746
48 HD3 LYS 83 HD3 LYS 83 7.260 4.145 7.469
49 HE2 LYS 83 HE2 LYS 83 5.240 2.785 7.270
50 HE3 LYS 83 HE3 LYS 83 5.490 2.599 5.525
51 HZ1 LYS 83 HZ1 LYS 83 7.346 1.560 7.623
52 HZ2 LYS 83 HZ2 LYS 83 6.310 0.651 6.743
53 HZ3 LYS 83 HZ3 LYS 83 7.561 1.387 6.008
54 H GLN 84 H GLN 84 4.506 8.984 7.878
55 HA GLN 84 HA GLN 84 6.426 11.173 8.435
56 HB2 GLN 84 HB2 GLN 84 4.082 11.742 8.322
57 HB3 GLN 84 HB3 GLN 84 3.631 10.405 9.360
58 HG2 GLN 84 HG2 GLN 84 4.791 11.540 11.276
59 HG3 GLN 84 HG3 GLN 84 5.183 12.892 10.202
60 HE21 GLN 84 HE22 GLN 84 2.338 10.901 11.286
61 HE22 GLN 84 HE21 GLN 84 1.255 12.291 11.398
62 H TYR 85 H TYR 85 7.481 11.305 10.413
63 HA TYR 85 HA TYR 85 7.157 9.106 12.403
64 HB2 TYR 85 HB2 TYR 85 9.815 10.149 11.346
65 HB3 TYR 85 HB3 TYR 85 9.634 9.136 12.760
66 HD1 TYR 85 HD1 TYR 85 9.222 9.203 9.036
67 HD2 TYR 85 HD2 TYR 85 9.543 6.787 12.592
68 HE1 TYR 85 HE1 TYR 85 9.566 7.182 7.633
69 HE2 TYR 85 HE2 TYR 85 9.932 4.775 11.192
70 HH TYR 85 HH TYR 85 9.994 4.902 7.609
71 H LYS 86 H LYS 86 7.556 9.772 14.522
72 HA LYS 86 HA LYS 86 8.146 12.652 15.059
73 HB2 LYS 86 HB2 LYS 86 5.702 12.311 15.134
74 HB3 LYS 86 HB3 LYS 86 5.904 10.962 16.265
75 HG2 LYS 86 HG2 LYS 86 6.749 12.447 18.000
76 HG3 LYS 86 HG3 LYS 86 6.777 13.821 16.883
77 HD2 LYS 86 HD2 LYS 86 4.301 13.679 16.656
78 HD3 LYS 86 HD3 LYS 86 4.281 12.301 17.778
79 HE2 LYS 86 HE2 LYS 86 5.291 13.737 19.548
80 HE3 LYS 86 HE3 LYS 86 5.312 15.107 18.428
81 HZ1 LYS 86 HZ1 LYS 86 2.844 13.720 19.361
82 HZ2 LYS 86 HZ2 LYS 86 3.358 15.182 19.876
83 HZ3 LYS 86 HZ3 LYS 86 2.873 14.992 18.332
84 H ASN 87 H ASN 87 9.376 13.006 16.861
85 HA ASN 87 HA ASN 87 10.430 10.569 18.288
86 HB2 ASN 87 HB2 ASN 87 11.979 11.578 16.684
87 HB3 ASN 87 HB3 ASN 87 11.920 13.108 17.559
88 HD21 ASN 87 HD22 ASN 87 14.336 11.693 17.125
89 HD22 ASN 87 HD21 ASN 87 14.874 11.067 18.680
90 HA PRO 88 HA PRO 88 8.220 12.844 21.640
91 HB2 PRO 88 HB2 PRO 88 9.004 10.189 22.877
92 HB3 PRO 88 HB3 PRO 88 7.508 11.147 23.130
93 HG2 PRO 88 HG2 PRO 88 7.482 9.038 21.445
94 HG3 PRO 88 HG3 PRO 88 6.680 10.574 20.973
95 HD2 PRO 88 HD2 PRO 88 9.358 9.497 20.091
96 HD3 PRO 88 HD3 PRO 88 8.090 10.345 19.150
97 H HIS 89 H HIS 89 11.448 11.368 21.640
98 HA HIS 89 HA HIS 89 12.274 12.475 24.209
99 HB2 HIS 89 HB2 HIS 89 13.989 11.314 21.976
100 HB3 HIS 89 HB3 HIS 89 14.454 11.551 23.656
101 HD1 HIS 89 HD1 HIS 89 13.057 9.943 25.495
102 HD2 HIS 89 HD2 HIS 89 12.771 9.046 21.374
103 HE1 HIS 89 HE1 HIS 89 12.109 7.552 25.334
104 HE2 HIS 89 HE2 HIS 89 11.933 7.014 22.821
105 H THR 90 H THR 90 12.183 13.792 20.989
106 HA THR 90 HA THR 90 13.788 16.168 21.890
107 HB THR 90 HB THR 90 14.522 16.448 19.615
108 HG1 THR 90 HG1 THR 90 13.913 14.979 18.039
109 HG21 THR 90 HG21 THR 90 15.900 14.467 19.281
110 HG22 THR 90 HG22 THR 90 15.808 14.793 21.022
111 HG23 THR 90 HG23 THR 90 14.829 13.489 20.305
112 H GLY 91 H GLY 91 10.772 15.120 20.483
113 HA2 GLY 91 HA2 GLY 91 8.790 16.404 20.383
114 HA3 GLY 91 HA3 GLY 91 9.731 17.899 20.395
115 H GLU 92 H GLU 92 11.367 16.083 18.180
116 HA GLU 92 HA GLU 92 10.385 17.608 15.964
117 HB2 GLU 92 HB2 GLU 92 12.501 15.526 16.436
118 HB3 GLU 92 HB3 GLU 92 11.930 15.726 14.777
119 HG2 GLU 92 HG2 GLU 92 12.365 17.950 14.664
120 HG3 GLU 92 HG3 GLU 92 12.752 18.100 16.408
121 H VAL 93 H VAL 93 9.479 17.073 14.054
122 HA VAL 93 HA VAL 93 8.389 14.356 13.571
123 HB VAL 93 HB VAL 93 7.134 17.016 12.858
124 HG11 VAL 93 HG11 VAL 93 6.526 15.247 11.238
125 HG12 VAL 93 HG12 VAL 93 6.063 14.168 12.571
126 HG13 VAL 93 HG13 VAL 93 5.137 15.647 12.240
127 HG21 VAL 93 HG21 VAL 93 5.361 16.495 14.491
128 HG22 VAL 93 HG22 VAL 93 6.297 15.072 15.022
129 HG23 VAL 93 HG23 VAL 93 6.951 16.719 15.231
130 H ILE 94 H ILE 94 8.642 13.648 11.486
131 HA ILE 94 HA ILE 94 9.689 15.397 9.352
132 HB ILE 94 HB ILE 94 11.439 13.733 8.751
133 HG12 ILE 94 HG12 ILE 94 10.850 12.470 11.459
134 HG13 ILE 94 HG13 ILE 94 10.477 11.768 9.884
135 HG21 ILE 94 HG21 ILE 94 13.104 14.515 10.301
136 HG22 ILE 94 HG22 ILE 94 11.934 15.808 10.031
137 HG23 ILE 94 HG23 ILE 94 11.886 14.865 11.538
138 HD11 ILE 94 HD11 ILE 94 12.468 10.741 10.786
139 HD12 ILE 94 HD12 ILE 94 12.874 11.667 9.330
140 HD13 ILE 94 HD13 ILE 94 13.272 12.307 10.952
141 H GLU 95 H GLU 95 9.677 14.313 7.302
142 HA GLU 95 HA GLU 95 7.848 11.986 6.922
143 HB2 GLU 95 HB2 GLU 95 7.660 14.730 5.604
144 HB3 GLU 95 HB3 GLU 95 6.941 13.283 4.900
145 HG2 GLU 95 HG2 GLU 95 5.438 13.001 6.751
146 HG3 GLU 95 HG3 GLU 95 6.243 14.266 7.682
147 H THR 96 H THR 96 8.456 10.612 5.371
148 HA THR 96 HA THR 96 10.279 11.383 3.170
149 HB THR 96 HB THR 96 11.932 10.804 4.757
150 HG1 THR 96 HG1 THR 96 12.850 9.044 3.774
151 HG21 THR 96 HG21 THR 96 10.651 9.645 6.500
152 HG22 THR 96 HG22 THR 96 10.340 8.279 5.397
153 HG23 THR 96 HG23 THR 96 11.992 8.626 5.956
154 H LYS 97 H LYS 97 10.442 9.668 1.535
155 HA LYS 97 HA LYS 97 7.989 7.954 1.326
156 HB2 LYS 97 HB2 LYS 97 10.112 8.767 -0.701
157 HB3 LYS 97 HB3 LYS 97 8.782 7.645 -1.042
158 HG2 LYS 97 HG2 LYS 97 7.132 9.382 -0.421
159 HG3 LYS 97 HG3 LYS 97 8.438 10.550 -0.181
160 HD2 LYS 97 HD2 LYS 97 7.779 9.140 -2.805
161 HD3 LYS 97 HD3 LYS 97 7.296 10.784 -2.371
162 HE2 LYS 97 HE2 LYS 97 9.709 11.426 -2.156
163 HE3 LYS 97 HE3 LYS 97 10.171 9.803 -2.681
164 HZ1 LYS 97 HZ1 LYS 97 9.010 10.231 -4.795
165 HZ2 LYS 97 HZ2 LYS 97 8.602 11.741 -4.313
166 HZ3 LYS 97 HZ3 LYS 97 10.167 11.354 -4.553
167 H GLY 98 H GLY 98 11.001 7.589 2.642
168 HA2 GLY 98 HA2 GLY 98 11.478 5.435 3.653
169 HA3 GLY 98 HA3 GLY 98 11.002 4.620 2.166
170 H GLY 99 H GLY 99 12.857 7.347 1.357
171 HA2 GLY 99 HA2 GLY 99 15.180 5.782 0.548
172 HA3 GLY 99 HA3 GLY 99 14.946 7.516 0.362
173 H ASN 100 H ASN 100 17.383 6.962 0.913
174 HA ASN 100 HA ASN 100 18.151 6.672 3.675
175 HB2 ASN 100 HB2 ASN 100 19.600 6.070 1.768
176 HB3 ASN 100 HB3 ASN 100 19.665 7.764 1.271
177 HD21 ASN 100 HD22 ASN 100 22.011 7.654 1.481
178 HD22 ASN 100 HD21 ASN 100 22.742 7.717 3.075
179 H HIS 101 H HIS 101 16.774 8.145 4.761
180 HA HIS 101 HA HIS 101 17.322 11.071 4.488
181 HB2 HIS 101 HB2 HIS 101 15.004 10.117 4.285
182 HB3 HIS 101 HB3 HIS 101 15.079 9.613 5.967
183 HD1 HIS 101 HD1 HIS 101 14.825 11.621 7.788
184 HD2 HIS 101 HD2 HIS 101 14.732 12.730 3.726
185 HE1 HIS 101 HE1 HIS 101 14.211 14.134 7.746
186 HE2 HIS 101 HE2 HIS 101 14.095 14.778 5.248
187 H LYS 102 H LYS 102 19.240 11.329 5.575
188 HA LYS 102 HA LYS 102 20.394 10.003 7.613
189 HB2 LYS 102 HB2 LYS 102 21.438 11.783 6.280
190 HB3 LYS 102 HB3 LYS 102 20.505 13.009 7.127
191 HG2 LYS 102 HG2 LYS 102 22.757 13.022 7.927
192 HG3 LYS 102 HG3 LYS 102 21.700 12.498 9.230
193 HD2 LYS 102 HD2 LYS 102 22.397 10.145 8.889
194 HD3 LYS 102 HD3 LYS 102 23.374 10.633 7.479
195 HE2 LYS 102 HE2 LYS 102 24.702 12.151 8.978
196 HE3 LYS 102 HE3 LYS 102 23.773 11.573 10.364
197 HZ1 LYS 102 HZ1 LYS 102 25.886 10.377 10.138
198 HZ2 LYS 102 HZ2 LYS 102 24.660 9.318 9.929
199 HZ3 LYS 102 HZ3 LYS 102 25.511 9.871 8.639
200 H THR 103 H THR 103 18.196 12.742 8.360
201 HA THR 103 HA THR 103 18.421 12.655 11.159
202 HB THR 103 HB THR 103 15.883 13.274 9.588
203 HG1 THR 103 HG1 THR 103 16.773 15.398 9.507
204 HG21 THR 103 HG21 THR 103 16.906 14.383 12.234
205 HG22 THR 103 HG22 THR 103 15.460 14.941 11.352
206 HG23 THR 103 HG23 THR 103 15.506 13.309 12.022
207 H LEU 104 H LEU 104 16.473 10.507 9.104
208 HA LEU 104 HA LEU 104 15.008 9.297 11.364
209 HB2 LEU 104 HB2 LEU 104 14.054 9.391 9.047
210 HB3 LEU 104 HB3 LEU 104 15.398 8.408 8.458
211 HG LEU 104 HG LEU 104 14.649 6.533 9.936
212 HD11 LEU 104 HD11 LEU 104 12.365 6.630 10.869
213 HD12 LEU 104 HD12 LEU 104 13.414 7.812 11.659
214 HD13 LEU 104 HD13 LEU 104 12.241 8.340 10.431
215 HD21 LEU 104 HD21 LEU 104 13.938 6.685 7.561
216 HD22 LEU 104 HD22 LEU 104 12.724 5.904 8.585
217 HD23 LEU 104 HD23 LEU 104 12.490 7.588 8.071
218 H LYS 105 H LYS 105 17.806 8.449 9.234
219 HA LYS 105 HA LYS 105 18.465 5.989 10.444
220 HB2 LYS 105 HB2 LYS 105 19.417 7.215 8.324
221 HB3 LYS 105 HB3 LYS 105 20.587 7.922 9.480
222 HG2 LYS 105 HG2 LYS 105 21.294 5.656 10.146
223 HG3 LYS 105 HG3 LYS 105 20.077 4.944 9.067
224 HD2 LYS 105 HD2 LYS 105 21.214 5.966 7.105
225 HD3 LYS 105 HD3 LYS 105 22.445 6.657 8.181
226 HE2 LYS 105 HE2 LYS 105 23.074 4.361 8.929
227 HE3 LYS 105 HE3 LYS 105 21.824 3.678 7.886
228 HZ1 LYS 105 HZ1 LYS 105 23.033 4.588 5.958
229 HZ2 LYS 105 HZ2 LYS 105 24.199 5.205 6.926
230 HZ3 LYS 105 HZ3 LYS 105 24.001 3.593 6.810
231 H GLU 106 H GLU 106 19.558 9.264 11.338
232 HA GLU 106 HA GLU 106 21.120 8.549 13.555
233 HB2 GLU 106 HB2 GLU 106 19.483 10.998 12.839
234 HB3 GLU 106 HB3 GLU 106 20.138 10.863 14.467
235 HG2 GLU 106 HG2 GLU 106 22.398 10.482 13.532
236 HG3 GLU 106 HG3 GLU 106 21.737 10.722 11.894
237 H TRP 107 H TRP 107 17.587 9.108 13.451
238 HA TRP 107 HA TRP 107 17.200 8.595 16.251
239 HB2 TRP 107 HB2 TRP 107 15.230 8.354 13.950
240 HB3 TRP 107 HB3 TRP 107 14.814 8.298 15.652
241 HD1 TRP 107 HD1 TRP 107 17.285 10.920 15.585
242 HE1 TRP 107 HE1 TRP 107 16.282 13.249 15.356
243 HE3 TRP 107 HE3 TRP 107 12.544 9.635 14.055
244 HZ2 TRP 107 HZ2 TRP 107 13.824 14.421 14.538
245 HZ3 TRP 107 HZ3 TRP 107 10.869 11.424 13.612
246 HH2 TRP 107 HH2 TRP 107 11.509 13.834 13.838
247 H LYS 108 H LYS 108 17.121 6.378 13.440
248 HA LYS 108 HA LYS 108 16.351 4.010 14.938
249 HB2 LYS 108 HB2 LYS 108 18.016 4.246 12.386
250 HB3 LYS 108 HB3 LYS 108 17.312 2.737 13.026
251 HG2 LYS 108 HG2 LYS 108 15.030 3.761 12.803
252 HG3 LYS 108 HG3 LYS 108 15.754 5.180 12.087
253 HD2 LYS 108 HD2 LYS 108 15.437 4.214 10.088
254 HD3 LYS 108 HD3 LYS 108 16.830 3.192 10.476
255 HE2 LYS 108 HE2 LYS 108 15.224 1.583 11.600
256 HE3 LYS 108 HE3 LYS 108 13.882 2.599 11.061
257 HZ1 LYS 108 HZ1 LYS 108 14.205 0.750 9.554
258 HZ2 LYS 108 HZ2 LYS 108 14.557 2.129 8.737
259 HZ3 LYS 108 HZ3 LYS 108 15.770 1.156 9.248
260 H ALA 109 H ALA 109 19.501 5.487 14.273
261 HA ALA 109 HA ALA 109 21.077 3.452 15.578
262 HB1 ALA 109 HB1 ALA 109 21.681 6.387 15.026
263 HB2 ALA 109 HB2 ALA 109 22.871 5.130 15.420
264 HB3 ALA 109 HB3 ALA 109 21.957 5.043 13.900
265 H LYS 110 H LYS 110 19.592 6.457 16.743
266 HA LYS 110 HA LYS 110 20.854 6.156 19.408
267 HB2 LYS 110 HB2 LYS 110 19.375 8.445 18.075
268 HB3 LYS 110 HB3 LYS 110 19.892 8.473 19.764
269 HG2 LYS 110 HG2 LYS 110 22.214 7.997 19.115
270 HG3 LYS 110 HG3 LYS 110 21.786 7.990 17.411
271 HD2 LYS 110 HD2 LYS 110 21.319 10.427 19.178
272 HD3 LYS 110 HD3 LYS 110 22.886 10.084 18.447
273 HE2 LYS 110 HE2 LYS 110 21.844 10.057 16.175
274 HE3 LYS 110 HE3 LYS 110 20.288 10.495 16.907
275 HZ1 LYS 110 HZ1 LYS 110 22.761 12.156 17.172
276 HZ2 LYS 110 HZ2 LYS 110 21.644 12.436 16.026
277 HZ3 LYS 110 HZ3 LYS 110 21.254 12.597 17.621
278 H TRP 111 H TRP 111 17.645 5.572 18.204
279 HA TRP 111 HA TRP 111 16.834 4.869 21.010
280 HB2 TRP 111 HB2 TRP 111 15.200 6.245 18.855
281 HB3 TRP 111 HB3 TRP 111 14.503 5.533 20.299
282 HD1 TRP 111 HD1 TRP 111 15.318 6.508 22.705
283 HE1 TRP 111 HE1 TRP 111 16.077 8.844 23.432
284 HE3 TRP 111 HE3 TRP 111 16.256 8.494 18.115
285 HZ2 TRP 111 HZ2 TRP 111 17.024 11.270 22.172
286 HZ3 TRP 111 HZ3 TRP 111 17.192 10.809 17.899
287 HH2 TRP 111 HH2 TRP 111 17.546 12.205 19.918
288 H GLY 112 H GLY 112 17.378 3.538 17.971
289 HA2 GLY 112 HA2 GLY 112 17.401 1.186 17.776
290 HA3 GLY 112 HA3 GLY 112 15.963 1.034 18.766
291 HA PRO 113 HA PRO 113 15.066 1.828 14.056
292 HB2 PRO 113 HB2 PRO 113 15.351 -0.704 12.870
293 HB3 PRO 113 HB3 PRO 113 16.543 0.618 12.804
294 HG2 PRO 113 HG2 PRO 113 16.496 -1.753 14.638
295 HG3 PRO 113 HG3 PRO 113 17.892 -0.934 13.819
296 HD2 PRO 113 HD2 PRO 113 17.304 -0.561 16.442
297 HD3 PRO 113 HD3 PRO 113 17.973 0.742 15.408
298 H GLU 114 H GLU 114 14.293 -1.102 15.991
299 HA GLU 114 HA GLU 114 11.736 -1.540 14.799
300 HB2 GLU 114 HB2 GLU 114 12.878 -2.324 17.514
301 HB3 GLU 114 HB3 GLU 114 11.325 -2.896 16.890
302 HG2 GLU 114 HG2 GLU 114 12.487 -3.886 14.920
303 HG3 GLU 114 HG3 GLU 114 14.040 -3.388 15.589
304 H ALA 115 H ALA 115 12.772 0.345 17.611
305 HA ALA 115 HA ALA 115 10.144 1.165 18.509
306 HB1 ALA 115 HB1 ALA 115 12.139 1.311 19.937
307 HB2 ALA 115 HB2 ALA 115 12.886 2.470 18.818
308 HB3 ALA 115 HB3 ALA 115 11.425 2.926 19.717
309 H VAL 116 H VAL 116 12.599 2.771 16.408
310 HA VAL 116 HA VAL 116 10.997 5.043 15.781
311 HB VAL 116 HB VAL 116 13.316 3.745 14.333
312 HG11 VAL 116 HG11 VAL 116 13.631 5.958 13.228
313 HG12 VAL 116 HG12 VAL 116 12.134 5.170 12.713
314 HG13 VAL 116 HG13 VAL 116 12.072 6.498 13.893
315 HG21 VAL 116 HG21 VAL 116 13.193 6.217 16.110
316 HG22 VAL 116 HG22 VAL 116 13.766 4.652 16.668
317 HG23 VAL 116 HG23 VAL 116 14.626 5.484 15.379
318 H GLU 117 H GLU 117 11.234 1.867 14.040
319 HA GLU 117 HA GLU 117 9.440 2.719 11.931
320 HB2 GLU 117 HB2 GLU 117 10.348 0.000 12.938
321 HB3 GLU 117 HB3 GLU 117 9.141 0.180 11.656
322 HG2 GLU 117 HG2 GLU 117 10.670 1.465 10.272
323 HG3 GLU 117 HG3 GLU 117 11.876 1.511 11.544
324 H SER 118 H SER 118 8.875 1.593 15.220
325 HA SER 118 HA SER 118 5.998 1.246 14.880
326 HB2 SER 118 HB2 SER 118 7.265 0.159 16.626
327 HB3 SER 118 HB3 SER 118 7.532 1.725 17.433
328 HG SER 118 HG SER 118 5.694 0.563 18.264
329 H TRP 119 H TRP 119 8.119 4.049 15.423
330 HA TRP 119 HA TRP 119 6.003 5.912 16.150
331 HB2 TRP 119 HB2 TRP 119 8.648 6.589 14.828
332 HB3 TRP 119 HB3 TRP 119 7.582 7.662 15.686
333 HD1 TRP 119 HD1 TRP 119 7.514 5.195 18.133
334 HE1 TRP 119 HE1 TRP 119 9.383 5.374 19.866
335 HE3 TRP 119 HE3 TRP 119 10.734 8.296 15.572
336 HZ2 TRP 119 HZ2 TRP 119 11.949 6.639 20.115
337 HZ3 TRP 119 HZ3 TRP 119 12.820 9.068 16.659
338 HH2 TRP 119 HH2 TRP 119 13.450 8.247 18.914
339 H ALA 120 H ALA 120 6.853 4.413 13.144
340 HA ALA 120 HA ALA 120 6.351 6.518 11.353
341 HB1 ALA 120 HB1 ALA 120 5.841 3.584 10.767
342 HB2 ALA 120 HB2 ALA 120 6.253 4.874 9.617
343 HB3 ALA 120 HB3 ALA 120 7.456 4.326 10.800
344 H THR 121 H THR 121 4.614 7.261 10.223
345 HA THR 121 HA THR 121 1.943 5.907 10.338
346 HB THR 121 HB THR 121 1.062 8.393 10.230
347 HG1 THR 121 HG1 THR 121 3.335 8.646 11.930
348 HG21 THR 121 HG21 THR 121 0.595 8.376 12.617
349 HG22 THR 121 HG22 THR 121 0.312 6.799 11.867
350 HG23 THR 121 HG23 THR 121 1.776 7.063 12.853
351 H LEU 122 H LEU 122 1.334 5.410 8.450
352 HA LEU 122 HA LEU 122 2.376 6.497 5.984
353 HB2 LEU 122 HB2 LEU 122 -0.023 4.806 6.770
354 HB3 LEU 122 HB3 LEU 122 0.304 5.220 5.083
355 HG LEU 122 HG LEU 122 2.336 3.788 6.852
356 HD11 LEU 122 HD11 LEU 122 1.616 1.703 5.747
357 HD12 LEU 122 HD12 LEU 122 0.292 2.416 6.678
358 HD13 LEU 122 HD13 LEU 122 0.321 2.580 4.903
359 HD21 LEU 122 HD21 LEU 122 3.304 3.106 4.667
360 HD22 LEU 122 HD22 LEU 122 2.044 4.020 3.815
361 HD23 LEU 122 HD23 LEU 122 3.248 4.874 4.791
362 H LEU 123 H LEU 123 1.726 8.201 4.799
363 HA LEU 123 HA LEU 123 -0.708 9.727 5.672
364 HB2 LEU 123 HB2 LEU 123 1.730 10.753 4.160
365 HB3 LEU 123 HB3 LEU 123 0.347 11.696 4.703
366 HG LEU 123 HG LEU 123 2.567 10.502 6.393
367 HD11 LEU 123 HD11 LEU 123 1.470 13.318 5.951
368 HD12 LEU 123 HD12 LEU 123 2.810 12.912 7.020
369 HD13 LEU 123 HD13 LEU 123 2.976 12.650 5.278
370 HD21 LEU 123 HD21 LEU 123 0.484 10.155 7.682
371 HD22 LEU 123 HD22 LEU 123 1.393 11.494 8.364
372 HD23 LEU 123 HD23 LEU 123 -0.029 11.824 7.348
373 H GLY 124 H GLY 124 -1.836 10.916 3.952
374 HA2 GLY 124 HA2 GLY 124 -1.539 9.911 1.150
375 HA3 GLY 124 HA3 GLY 124 -3.095 9.750 1.970
376 H HIS 125 H HIS 125 -1.076 12.583 2.554
377 HA HIS 125 HA HIS 125 -3.115 14.441 1.745
378 HB2 HIS 125 HB2 HIS 125 -1.411 16.161 2.221
379 HB3 HIS 125 HB3 HIS 125 -1.649 15.015 3.529
380 HD1 HIS 125 HD1 HIS 125 0.695 14.221 0.603
381 HD2 HIS 125 HD2 HIS 125 0.756 15.500 4.618
382 HE1 HIS 125 HE1 HIS 125 3.190 14.141 1.372
383 HE2 HIS 125 HE2 HIS 125 3.202 14.891 3.848
Start of MODEL 3
1 H ALA 79 H1 ALA 79 4.612 0.902 0.637
2 HA ALA 79 HA ALA 79 6.209 0.769 -1.169
3 HB1 ALA 79 HB1 ALA 79 5.523 -0.050 -3.380
4 HB2 ALA 79 HB2 ALA 79 5.383 -1.323 -2.165
5 HB3 ALA 79 HB3 ALA 79 3.921 -0.497 -2.746
6 H ARG 80 H ARG 80 6.583 2.665 -2.064
7 HA ARG 80 HA ARG 80 6.372 4.791 -2.845
8 HB2 ARG 80 HB2 ARG 80 4.198 3.527 -4.507
9 HB3 ARG 80 HB3 ARG 80 5.116 5.011 -4.851
10 HG2 ARG 80 HG2 ARG 80 7.230 3.698 -4.719
11 HG3 ARG 80 HG3 ARG 80 6.289 2.207 -4.615
12 HD2 ARG 80 HD2 ARG 80 6.184 4.210 -6.916
13 HD3 ARG 80 HD3 ARG 80 7.101 2.693 -6.916
14 HE ARG 80 HE ARG 80 4.451 1.978 -6.312
15 HH11 ARG 80 HH11 ARG 80 6.111 3.363 -9.067
16 HH12 ARG 80 HH12 ARG 80 4.953 2.731 -10.206
17 HH21 ARG 80 HH21 ARG 80 3.004 1.199 -7.811
18 HH22 ARG 80 HH22 ARG 80 3.236 1.531 -9.502
19 H LYS 81 H LYS 81 5.025 4.636 -0.382
20 HA LYS 81 HA LYS 81 3.240 7.038 -0.628
21 HB2 LYS 81 HB2 LYS 81 2.787 4.609 1.153
22 HB3 LYS 81 HB3 LYS 81 1.887 6.136 1.291
23 HG2 LYS 81 HG2 LYS 81 0.965 5.838 -0.969
24 HG3 LYS 81 HG3 LYS 81 1.941 4.386 -1.208
25 HD2 LYS 81 HD2 LYS 81 0.730 3.425 0.863
26 HD3 LYS 81 HD3 LYS 81 -0.451 4.718 0.628
27 HE2 LYS 81 HE2 LYS 81 0.414 2.717 -1.527
28 HE3 LYS 81 HE3 LYS 81 -0.964 2.447 -0.462
29 HZ1 LYS 81 HZ1 LYS 81 -1.560 3.415 -2.655
30 HZ2 LYS 81 HZ2 LYS 81 -2.112 4.290 -1.403
31 HZ3 LYS 81 HZ3 LYS 81 -0.793 4.808 -2.268
32 H VAL 82 H VAL 82 3.273 8.418 1.123
33 HA VAL 82 HA VAL 82 5.931 8.747 2.309
34 HB VAL 82 HB VAL 82 3.368 10.351 2.605
35 HG11 VAL 82 HG11 VAL 82 4.845 12.173 3.504
36 HG12 VAL 82 HG12 VAL 82 4.692 10.817 4.614
37 HG13 VAL 82 HG13 VAL 82 6.170 11.006 3.638
38 HG21 VAL 82 HG21 VAL 82 4.418 10.403 0.340
39 HG22 VAL 82 HG22 VAL 82 4.501 11.968 1.155
40 HG23 VAL 82 HG23 VAL 82 5.943 10.934 1.084
41 H LYS 83 H LYS 83 6.611 8.381 4.325
42 HA LYS 83 HA LYS 83 4.677 7.582 6.475
43 HB2 LYS 83 HB2 LYS 83 7.540 6.699 5.949
44 HB3 LYS 83 HB3 LYS 83 6.786 6.582 7.550
45 HG2 LYS 83 HG2 LYS 83 4.999 5.171 6.682
46 HG3 LYS 83 HG3 LYS 83 5.697 5.245 5.043
47 HD2 LYS 83 HD2 LYS 83 7.682 4.067 5.750
48 HD3 LYS 83 HD3 LYS 83 7.263 4.234 7.465
49 HE2 LYS 83 HE2 LYS 83 5.313 2.792 7.207
50 HE3 LYS 83 HE3 LYS 83 5.585 2.667 5.458
51 HZ1 LYS 83 HZ1 LYS 83 7.707 1.535 5.935
52 HZ2 LYS 83 HZ2 LYS 83 7.452 1.636 7.552
53 HZ3 LYS 83 HZ3 LYS 83 6.472 0.719 6.620
54 H GLN 84 H GLN 84 4.441 9.009 7.945
55 HA GLN 84 HA GLN 84 6.353 11.210 8.501
56 HB2 GLN 84 HB2 GLN 84 4.016 11.800 8.366
57 HB3 GLN 84 HB3 GLN 84 3.547 10.449 9.385
58 HG2 GLN 84 HG2 GLN 84 4.693 11.560 11.328
59 HG3 GLN 84 HG3 GLN 84 5.074 12.930 10.271
60 HE21 GLN 84 HE22 GLN 84 2.231 10.880 11.278
61 HE22 GLN 84 HE21 GLN 84 1.134 12.261 11.407
62 H TYR 85 H TYR 85 7.426 11.323 10.469
63 HA TYR 85 HA TYR 85 7.097 9.117 12.466
64 HB2 TYR 85 HB2 TYR 85 9.741 10.188 11.390
65 HB3 TYR 85 HB3 TYR 85 9.580 9.155 12.789
66 HD1 TYR 85 HD1 TYR 85 9.064 9.264 9.071
67 HD2 TYR 85 HD2 TYR 85 9.582 6.806 12.581
68 HE1 TYR 85 HE1 TYR 85 9.384 7.262 7.634
69 HE2 TYR 85 HE2 TYR 85 9.961 4.827 11.153
70 HH TYR 85 HH TYR 85 10.062 4.005 8.965
71 H LYS 86 H LYS 86 7.470 9.785 14.597
72 HA LYS 86 HA LYS 86 8.076 12.668 15.100
73 HB2 LYS 86 HB2 LYS 86 5.633 12.308 15.201
74 HB3 LYS 86 HB3 LYS 86 5.865 11.009 16.398
75 HG2 LYS 86 HG2 LYS 86 6.746 12.596 18.028
76 HG3 LYS 86 HG3 LYS 86 6.684 13.910 16.840
77 HD2 LYS 86 HD2 LYS 86 4.211 13.665 16.697
78 HD3 LYS 86 HD3 LYS 86 4.279 12.364 17.908
79 HE2 LYS 86 HE2 LYS 86 5.282 13.954 19.547
80 HE3 LYS 86 HE3 LYS 86 5.218 15.246 18.341
81 HZ1 LYS 86 HZ1 LYS 86 3.296 15.345 19.830
82 HZ2 LYS 86 HZ2 LYS 86 2.779 15.022 18.322
83 HZ3 LYS 86 HZ3 LYS 86 2.835 13.826 19.438
84 H ASN 87 H ASN 87 9.385 13.048 16.788
85 HA ASN 87 HA ASN 87 10.450 10.674 18.299
86 HB2 ASN 87 HB2 ASN 87 11.969 11.655 16.642
87 HB3 ASN 87 HB3 ASN 87 11.930 13.192 17.506
88 HD21 ASN 87 HD22 ASN 87 14.360 12.116 17.186
89 HD22 ASN 87 HD21 ASN 87 14.911 11.336 18.664
90 HA PRO 88 HA PRO 88 8.335 13.307 21.416
91 HB2 PRO 88 HB2 PRO 88 7.943 11.324 23.333
92 HB3 PRO 88 HB3 PRO 88 6.863 11.675 21.952
93 HG2 PRO 88 HG2 PRO 88 9.054 9.592 22.132
94 HG3 PRO 88 HG3 PRO 88 7.373 9.382 21.541
95 HD2 PRO 88 HD2 PRO 88 9.413 9.736 19.821
96 HD3 PRO 88 HD3 PRO 88 7.849 10.558 19.521
97 H HIS 89 H HIS 89 11.392 11.691 21.617
98 HA HIS 89 HA HIS 89 12.234 12.637 24.212
99 HB2 HIS 89 HB2 HIS 89 13.947 12.074 21.748
100 HB3 HIS 89 HB3 HIS 89 14.497 12.168 23.417
101 HD1 HIS 89 HD1 HIS 89 13.009 9.749 20.972
102 HD2 HIS 89 HD2 HIS 89 13.519 10.183 25.142
103 HE1 HIS 89 HE1 HIS 89 12.530 7.416 22.032
104 HE2 HIS 89 HE2 HIS 89 12.861 7.700 24.565
105 H THR 90 H THR 90 12.077 14.216 21.056
106 HA THR 90 HA THR 90 13.099 16.773 22.261
107 HB THR 90 HB THR 90 13.943 17.341 20.057
108 HG1 THR 90 HG1 THR 90 13.790 15.958 18.381
109 HG21 THR 90 HG21 THR 90 15.731 15.708 19.807
110 HG22 THR 90 HG22 THR 90 15.404 15.911 21.540
111 HG23 THR 90 HG23 THR 90 14.791 14.476 20.679
112 H GLY 91 H GLY 91 10.456 15.294 20.531
113 HA2 GLY 91 HA2 GLY 91 8.298 16.243 20.271
114 HA3 GLY 91 HA3 GLY 91 8.974 17.872 20.392
115 H GLU 92 H GLU 92 11.051 16.227 18.362
116 HA GLU 92 HA GLU 92 10.298 17.615 16.008
117 HB2 GLU 92 HB2 GLU 92 12.247 15.453 16.755
118 HB3 GLU 92 HB3 GLU 92 11.841 15.583 15.052
119 HG2 GLU 92 HG2 GLU 92 12.513 17.706 14.784
120 HG3 GLU 92 HG3 GLU 92 12.527 18.093 16.523
121 H VAL 93 H VAL 93 9.503 17.062 14.070
122 HA VAL 93 HA VAL 93 8.382 14.365 13.570
123 HB VAL 93 HB VAL 93 7.201 17.034 12.771
124 HG11 VAL 93 HG11 VAL 93 6.616 15.243 11.156
125 HG12 VAL 93 HG12 VAL 93 6.084 14.199 12.497
126 HG13 VAL 93 HG13 VAL 93 5.196 15.682 12.104
127 HG21 VAL 93 HG21 VAL 93 6.913 16.773 15.132
128 HG22 VAL 93 HG22 VAL 93 5.347 16.540 14.339
129 HG23 VAL 93 HG23 VAL 93 6.254 15.123 14.924
130 H ILE 94 H ILE 94 8.695 13.625 11.507
131 HA ILE 94 HA ILE 94 9.757 15.356 9.372
132 HB ILE 94 HB ILE 94 11.493 13.695 8.753
133 HG12 ILE 94 HG12 ILE 94 10.931 12.434 11.466
134 HG13 ILE 94 HG13 ILE 94 10.561 11.725 9.894
135 HG21 ILE 94 HG21 ILE 94 11.999 14.828 11.526
136 HG22 ILE 94 HG22 ILE 94 13.184 14.479 10.253
137 HG23 ILE 94 HG23 ILE 94 12.006 15.771 10.025
138 HD11 ILE 94 HD11 ILE 94 12.564 10.725 10.823
139 HD12 ILE 94 HD12 ILE 94 12.945 11.613 9.339
140 HD13 ILE 94 HD13 ILE 94 13.357 12.292 10.941
141 H GLU 95 H GLU 95 9.732 14.268 7.322
142 HA GLU 95 HA GLU 95 7.889 11.949 6.982
143 HB2 GLU 95 HB2 GLU 95 7.707 14.678 5.654
144 HB3 GLU 95 HB3 GLU 95 6.997 13.232 4.931
145 HG2 GLU 95 HG2 GLU 95 5.475 12.924 6.743
146 HG3 GLU 95 HG3 GLU 95 6.280 14.142 7.734
147 H THR 96 H THR 96 8.459 10.568 5.415
148 HA THR 96 HA THR 96 10.304 11.286 3.220
149 HB THR 96 HB THR 96 11.942 10.683 4.806
150 HG1 THR 96 HG1 THR 96 12.807 8.861 3.855
151 HG21 THR 96 HG21 THR 96 10.667 9.578 6.573
152 HG22 THR 96 HG22 THR 96 10.295 8.211 5.488
153 HG23 THR 96 HG23 THR 96 11.962 8.508 6.023
154 H LYS 97 H LYS 97 10.428 9.561 1.583
155 HA LYS 97 HA LYS 97 7.925 7.917 1.396
156 HB2 LYS 97 HB2 LYS 97 10.075 8.631 -0.647
157 HB3 LYS 97 HB3 LYS 97 8.702 7.565 -0.972
158 HG2 LYS 97 HG2 LYS 97 7.120 9.371 -0.419
159 HG3 LYS 97 HG3 LYS 97 8.468 10.479 -0.115
160 HD2 LYS 97 HD2 LYS 97 9.233 10.187 -2.463
161 HD3 LYS 97 HD3 LYS 97 7.857 9.107 -2.774
162 HE2 LYS 97 HE2 LYS 97 6.289 10.950 -2.184
163 HE3 LYS 97 HE3 LYS 97 7.662 12.024 -1.873
164 HZ1 LYS 97 HZ1 LYS 97 7.036 10.791 -4.521
165 HZ2 LYS 97 HZ2 LYS 97 6.778 12.352 -4.120
166 HZ3 LYS 97 HZ3 LYS 97 8.300 11.786 -4.228
167 H GLY 98 H GLY 98 10.866 7.448 2.765
168 HA2 GLY 98 HA2 GLY 98 11.286 5.312 3.793
169 HA3 GLY 98 HA3 GLY 98 10.765 4.478 2.337
170 H GLY 99 H GLY 99 12.728 7.106 1.454
171 HA2 GLY 99 HA2 GLY 99 14.994 5.420 0.702
172 HA3 GLY 99 HA3 GLY 99 14.819 7.149 0.435
173 H ASN 100 H ASN 100 17.239 6.563 1.037
174 HA ASN 100 HA ASN 100 17.970 6.363 3.816
175 HB2 ASN 100 HB2 ASN 100 19.425 5.652 1.964
176 HB3 ASN 100 HB3 ASN 100 19.522 7.312 1.371
177 HD21 ASN 100 HD22 ASN 100 21.851 7.210 1.590
178 HD22 ASN 100 HD21 ASN 100 22.576 7.375 3.184
179 H HIS 101 H HIS 101 16.604 7.922 4.823
180 HA HIS 101 HA HIS 101 17.228 10.812 4.419
181 HB2 HIS 101 HB2 HIS 101 14.891 9.933 4.317
182 HB3 HIS 101 HB3 HIS 101 14.994 9.483 6.016
183 HD1 HIS 101 HD1 HIS 101 14.830 11.571 7.758
184 HD2 HIS 101 HD2 HIS 101 14.733 12.531 3.658
185 HE1 HIS 101 HE1 HIS 101 14.335 14.107 7.632
186 HE2 HIS 101 HE2 HIS 101 14.202 14.663 5.107
187 H LYS 102 H LYS 102 19.159 11.095 5.430
188 HA LYS 102 HA LYS 102 20.387 9.871 7.516
189 HB2 LYS 102 HB2 LYS 102 21.063 11.724 5.827
190 HB3 LYS 102 HB3 LYS 102 20.720 12.854 7.122
191 HG2 LYS 102 HG2 LYS 102 22.591 10.447 7.414
192 HG3 LYS 102 HG3 LYS 102 23.141 11.966 6.743
193 HD2 LYS 102 HD2 LYS 102 21.967 11.692 9.527
194 HD3 LYS 102 HD3 LYS 102 23.695 11.645 9.149
195 HE2 LYS 102 HE2 LYS 102 23.472 13.909 8.035
196 HE3 LYS 102 HE3 LYS 102 21.808 13.999 8.619
197 HZ1 LYS 102 HZ1 LYS 102 22.684 13.841 10.910
198 HZ2 LYS 102 HZ2 LYS 102 24.229 13.813 10.349
199 HZ3 LYS 102 HZ3 LYS 102 23.310 15.145 10.138
200 H THR 103 H THR 103 18.193 12.643 8.176
201 HA THR 103 HA THR 103 18.524 12.689 10.978
202 HB THR 103 HB THR 103 15.871 13.141 9.554
203 HG1 THR 103 HG1 THR 103 17.978 15.020 9.787
204 HG21 THR 103 HG21 THR 103 15.596 14.988 11.168
205 HG22 THR 103 HG22 THR 103 15.707 13.422 11.980
206 HG23 THR 103 HG23 THR 103 17.111 14.513 11.977
207 H LEU 104 H LEU 104 16.516 10.460 9.071
208 HA LEU 104 HA LEU 104 15.098 9.320 11.401
209 HB2 LEU 104 HB2 LEU 104 14.140 9.369 9.053
210 HB3 LEU 104 HB3 LEU 104 15.443 8.296 8.532
211 HG LEU 104 HG LEU 104 14.595 6.581 10.188
212 HD11 LEU 104 HD11 LEU 104 13.304 8.083 11.699
213 HD12 LEU 104 HD12 LEU 104 12.197 8.461 10.353
214 HD13 LEU 104 HD13 LEU 104 12.286 6.821 10.998
215 HD21 LEU 104 HD21 LEU 104 12.716 5.879 8.796
216 HD22 LEU 104 HD22 LEU 104 12.576 7.507 8.107
217 HD23 LEU 104 HD23 LEU 104 14.012 6.509 7.769
218 H LYS 105 H LYS 105 17.869 8.452 9.251
219 HA LYS 105 HA LYS 105 18.568 6.007 10.458
220 HB2 LYS 105 HB2 LYS 105 19.513 7.221 8.347
221 HB3 LYS 105 HB3 LYS 105 20.642 7.994 9.502
222 HG2 LYS 105 HG2 LYS 105 21.419 5.752 10.226
223 HG3 LYS 105 HG3 LYS 105 20.284 4.987 9.099
224 HD2 LYS 105 HD2 LYS 105 21.456 6.059 7.184
225 HD3 LYS 105 HD3 LYS 105 22.584 6.844 8.318
226 HE2 LYS 105 HE2 LYS 105 23.316 4.611 9.131
227 HE3 LYS 105 HE3 LYS 105 22.195 3.826 8.012
228 HZ1 LYS 105 HZ1 LYS 105 24.446 3.915 7.088
229 HZ2 LYS 105 HZ2 LYS 105 23.447 4.811 6.159
230 HZ3 LYS 105 HZ3 LYS 105 24.490 5.542 7.190
231 H GLU 106 H GLU 106 19.643 9.293 11.377
232 HA GLU 106 HA GLU 106 21.164 8.509 13.608
233 HB2 GLU 106 HB2 GLU 106 19.619 11.030 12.938
234 HB3 GLU 106 HB3 GLU 106 20.276 10.828 14.565
235 HG2 GLU 106 HG2 GLU 106 22.509 10.406 13.647
236 HG3 GLU 106 HG3 GLU 106 21.880 10.630 11.996
237 H TRP 107 H TRP 107 17.647 9.188 13.473
238 HA TRP 107 HA TRP 107 17.190 8.674 16.244
239 HB2 TRP 107 HB2 TRP 107 15.270 8.381 13.904
240 HB3 TRP 107 HB3 TRP 107 14.819 8.372 15.597
241 HD1 TRP 107 HD1 TRP 107 17.307 11.028 15.385
242 HE1 TRP 107 HE1 TRP 107 16.255 13.331 15.120
243 HE3 TRP 107 HE3 TRP 107 12.546 9.613 14.059
244 HZ2 TRP 107 HZ2 TRP 107 13.734 14.436 14.394
245 HZ3 TRP 107 HZ3 TRP 107 10.819 11.354 13.636
246 HH2 TRP 107 HH2 TRP 107 11.406 13.780 13.797
247 H LYS 108 H LYS 108 17.170 6.418 13.471
248 HA LYS 108 HA LYS 108 16.348 4.059 14.954
249 HB2 LYS 108 HB2 LYS 108 18.039 4.303 12.416
250 HB3 LYS 108 HB3 LYS 108 17.340 2.789 13.046
251 HG2 LYS 108 HG2 LYS 108 15.055 3.788 12.814
252 HG3 LYS 108 HG3 LYS 108 15.763 5.216 12.113
253 HD2 LYS 108 HD2 LYS 108 15.479 4.256 10.103
254 HD3 LYS 108 HD3 LYS 108 16.873 3.244 10.503
255 HE2 LYS 108 HE2 LYS 108 15.272 1.617 11.602
256 HE3 LYS 108 HE3 LYS 108 13.925 2.619 11.066
257 HZ1 LYS 108 HZ1 LYS 108 15.834 1.201 9.258
258 HZ2 LYS 108 HZ2 LYS 108 14.268 0.787 9.544
259 HZ3 LYS 108 HZ3 LYS 108 14.616 2.169 8.740
260 H ALA 109 H ALA 109 19.534 5.493 14.329
261 HA ALA 109 HA ALA 109 21.032 3.421 15.689
262 HB1 ALA 109 HB1 ALA 109 21.732 6.330 15.073
263 HB2 ALA 109 HB2 ALA 109 22.879 5.057 15.535
264 HB3 ALA 109 HB3 ALA 109 21.997 4.942 13.999
265 H LYS 110 H LYS 110 19.653 6.510 16.767
266 HA LYS 110 HA LYS 110 20.861 6.402 19.425
267 HB2 LYS 110 HB2 LYS 110 18.818 8.224 18.114
268 HB3 LYS 110 HB3 LYS 110 19.387 8.461 19.772
269 HG2 LYS 110 HG2 LYS 110 21.659 8.806 19.067
270 HG3 LYS 110 HG3 LYS 110 21.298 8.347 17.402
271 HD2 LYS 110 HD2 LYS 110 19.675 10.283 17.281
272 HD3 LYS 110 HD3 LYS 110 20.246 10.811 18.864
273 HE2 LYS 110 HE2 LYS 110 21.957 10.511 16.335
274 HE3 LYS 110 HE3 LYS 110 21.279 12.027 16.938
275 HZ1 LYS 110 HZ1 LYS 110 23.292 10.376 18.396
276 HZ2 LYS 110 HZ2 LYS 110 23.569 11.804 17.656
277 HZ3 LYS 110 HZ3 LYS 110 22.617 11.751 18.975
278 H TRP 111 H TRP 111 17.617 5.619 18.250
279 HA TRP 111 HA TRP 111 16.851 4.774 21.031
280 HB2 TRP 111 HB2 TRP 111 15.191 6.165 18.903
281 HB3 TRP 111 HB3 TRP 111 14.551 5.521 20.411
282 HD1 TRP 111 HD1 TRP 111 15.707 6.501 22.732
283 HE1 TRP 111 HE1 TRP 111 16.509 8.864 23.326
284 HE3 TRP 111 HE3 TRP 111 15.995 8.445 18.028
285 HZ2 TRP 111 HZ2 TRP 111 17.327 11.253 21.918
286 HZ3 TRP 111 HZ3 TRP 111 16.922 10.741 17.668
287 HH2 TRP 111 HH2 TRP 111 17.569 12.148 19.602
288 H GLY 112 H GLY 112 17.390 3.446 18.010
289 HA2 GLY 112 HA2 GLY 112 17.355 1.089 17.816
290 HA3 GLY 112 HA3 GLY 112 15.896 0.979 18.778
291 HA PRO 113 HA PRO 113 15.090 1.858 14.062
292 HB2 PRO 113 HB2 PRO 113 15.389 -0.657 12.828
293 HB3 PRO 113 HB3 PRO 113 16.577 0.676 12.797
294 HG2 PRO 113 HG2 PRO 113 16.522 -1.717 14.599
295 HG3 PRO 113 HG3 PRO 113 17.924 -0.902 13.793
296 HD2 PRO 113 HD2 PRO 113 17.336 -0.551 16.411
297 HD3 PRO 113 HD3 PRO 113 17.976 0.777 15.390
298 H GLU 114 H GLU 114 14.295 -1.103 15.932
299 HA GLU 114 HA GLU 114 11.755 -1.528 14.697
300 HB2 GLU 114 HB2 GLU 114 12.867 -2.350 17.408
301 HB3 GLU 114 HB3 GLU 114 11.314 -2.910 16.769
302 HG2 GLU 114 HG2 GLU 114 12.488 -3.878 14.790
303 HG3 GLU 114 HG3 GLU 114 14.040 -3.395 15.485
304 H ALA 115 H ALA 115 12.753 0.313 17.557
305 HA ALA 115 HA ALA 115 10.116 1.121 18.417
306 HB1 ALA 115 HB1 ALA 115 12.088 1.232 19.882
307 HB2 ALA 115 HB2 ALA 115 12.845 2.421 18.810
308 HB3 ALA 115 HB3 ALA 115 11.370 2.849 19.695
309 H VAL 116 H VAL 116 12.610 2.774 16.397
310 HA VAL 116 HA VAL 116 11.005 5.048 15.775
311 HB VAL 116 HB VAL 116 13.332 3.784 14.307
312 HG11 VAL 116 HG11 VAL 116 12.064 6.537 13.931
313 HG12 VAL 116 HG12 VAL 116 13.624 6.028 13.244
314 HG13 VAL 116 HG13 VAL 116 12.129 5.235 12.719
315 HG21 VAL 116 HG21 VAL 116 13.189 6.206 16.156
316 HG22 VAL 116 HG22 VAL 116 13.817 4.639 16.644
317 HG23 VAL 116 HG23 VAL 116 14.630 5.545 15.379
318 H GLU 117 H GLU 117 11.256 1.886 14.003
319 HA GLU 117 HA GLU 117 9.461 2.755 11.896
320 HB2 GLU 117 HB2 GLU 117 10.366 0.033 12.888
321 HB3 GLU 117 HB3 GLU 117 9.174 0.227 11.591
322 HG2 GLU 117 HG2 GLU 117 10.725 1.515 10.239
323 HG3 GLU 117 HG3 GLU 117 11.921 1.533 11.524
324 H SER 118 H SER 118 8.894 1.646 15.182
325 HA SER 118 HA SER 118 6.022 1.274 14.828
326 HB2 SER 118 HB2 SER 118 7.269 0.191 16.579
327 HB3 SER 118 HB3 SER 118 7.526 1.757 17.395
328 HG SER 118 HG SER 118 5.688 0.576 18.200
329 H TRP 119 H TRP 119 8.130 4.087 15.388
330 HA TRP 119 HA TRP 119 6.010 5.944 16.110
331 HB2 TRP 119 HB2 TRP 119 8.642 6.629 14.769
332 HB3 TRP 119 HB3 TRP 119 7.580 7.698 15.638
333 HD1 TRP 119 HD1 TRP 119 7.540 5.213 18.068
334 HE1 TRP 119 HE1 TRP 119 9.427 5.373 19.783
335 HE3 TRP 119 HE3 TRP 119 10.713 8.376 15.525
336 HZ2 TRP 119 HZ2 TRP 119 12.020 6.569 19.976
337 HZ3 TRP 119 HZ3 TRP 119 12.817 9.120 16.597
338 HH2 TRP 119 HH2 TRP 119 13.503 8.214 18.798
339 H ALA 120 H ALA 120 6.861 4.434 13.110
340 HA ALA 120 HA ALA 120 6.326 6.524 11.305
341 HB1 ALA 120 HB1 ALA 120 6.204 4.854 9.584
342 HB2 ALA 120 HB2 ALA 120 7.449 4.351 10.749
343 HB3 ALA 120 HB3 ALA 120 5.853 3.573 10.766
344 H THR 121 H THR 121 4.564 7.261 10.216
345 HA THR 121 HA THR 121 1.927 5.854 10.328
346 HB THR 121 HB THR 121 0.972 8.301 10.279
347 HG1 THR 121 HG1 THR 121 3.287 8.649 11.896
348 HG21 THR 121 HG21 THR 121 0.593 8.278 12.682
349 HG22 THR 121 HG22 THR 121 0.348 6.682 11.956
350 HG23 THR 121 HG23 THR 121 1.837 7.014 12.880
351 H LEU 122 H LEU 122 1.347 5.349 8.432
352 HA LEU 122 HA LEU 122 2.363 6.486 5.978
353 HB2 LEU 122 HB2 LEU 122 0.014 4.716 6.756
354 HB3 LEU 122 HB3 LEU 122 0.320 5.155 5.072
355 HG LEU 122 HG LEU 122 2.408 3.779 6.814
356 HD11 LEU 122 HD11 LEU 122 0.404 2.520 4.877
357 HD12 LEU 122 HD12 LEU 122 1.747 1.675 5.684
358 HD13 LEU 122 HD13 LEU 122 0.413 2.331 6.648
359 HD21 LEU 122 HD21 LEU 122 2.074 4.013 3.774
360 HD22 LEU 122 HD22 LEU 122 3.260 4.907 4.742
361 HD23 LEU 122 HD23 LEU 122 3.377 3.148 4.615
362 H LEU 123 H LEU 123 1.702 8.230 4.855
363 HA LEU 123 HA LEU 123 -0.712 9.703 5.795
364 HB2 LEU 123 HB2 LEU 123 1.565 10.682 4.037
365 HB3 LEU 123 HB3 LEU 123 0.225 11.642 4.656
366 HG LEU 123 HG LEU 123 2.560 10.491 6.226
367 HD11 LEU 123 HD11 LEU 123 2.893 12.611 5.004
368 HD12 LEU 123 HD12 LEU 123 1.479 13.312 5.809
369 HD13 LEU 123 HD13 LEU 123 2.914 12.885 6.751
370 HD21 LEU 123 HD21 LEU 123 0.606 10.191 7.679
371 HD22 LEU 123 HD22 LEU 123 1.517 11.588 8.234
372 HD23 LEU 123 HD23 LEU 123 0.026 11.831 7.300
373 H GLY 124 H GLY 124 -1.380 7.506 4.507
374 HA2 GLY 124 HA2 GLY 124 -3.111 8.280 2.422
375 HA3 GLY 124 HA3 GLY 124 -1.653 7.621 1.657
376 H HIS 125 H HIS 125 -3.614 6.240 0.931
377 HA HIS 125 HA HIS 125 -3.703 3.704 2.499
378 HB2 HIS 125 HB2 HIS 125 -6.148 4.941 1.238
379 HB3 HIS 125 HB3 HIS 125 -6.009 3.451 2.175
380 HD1 HIS 125 HD1 HIS 125 -5.186 3.940 4.891
381 HD2 HIS 125 HD2 HIS 125 -6.887 7.047 2.594
382 HE1 HIS 125 HE1 HIS 125 -5.998 5.723 6.570
383 HE2 HIS 125 HE2 HIS 125 -7.034 7.617 5.158
Start of MODEL 4
1 H ALA 79 H1 ALA 79 4.052 0.275 0.604
2 HA ALA 79 HA ALA 79 4.148 0.240 -2.350
3 HB1 ALA 79 HB1 ALA 79 1.820 0.202 -1.466
4 HB2 ALA 79 HB2 ALA 79 2.156 1.668 -0.516
5 HB3 ALA 79 HB3 ALA 79 2.177 1.721 -2.293
6 H ARG 80 H ARG 80 4.031 2.702 -3.112
7 HA ARG 80 HA ARG 80 6.559 3.903 -2.256
8 HB2 ARG 80 HB2 ARG 80 4.593 4.748 -4.386
9 HB3 ARG 80 HB3 ARG 80 6.212 5.417 -4.085
10 HG2 ARG 80 HG2 ARG 80 7.203 3.157 -4.366
11 HG3 ARG 80 HG3 ARG 80 5.633 2.527 -4.864
12 HD2 ARG 80 HD2 ARG 80 7.149 4.779 -6.257
13 HD3 ARG 80 HD3 ARG 80 7.145 3.081 -6.776
14 HE ARG 80 HE ARG 80 4.444 3.841 -6.635
15 HH11 ARG 80 HH11 ARG 80 7.207 4.774 -8.572
16 HH12 ARG 80 HH12 ARG 80 6.214 5.243 -9.927
17 HH21 ARG 80 HH21 ARG 80 3.237 4.470 -8.400
18 HH22 ARG 80 HH22 ARG 80 4.031 5.061 -9.829
19 H LYS 81 H LYS 81 3.587 4.267 -0.884
20 HA LYS 81 HA LYS 81 3.164 6.973 -0.427
21 HB2 LYS 81 HB2 LYS 81 2.615 4.450 1.150
22 HB3 LYS 81 HB3 LYS 81 2.309 5.990 1.931
23 HG2 LYS 81 HG2 LYS 81 1.118 5.293 -0.782
24 HG3 LYS 81 HG3 LYS 81 0.331 4.926 0.760
25 HD2 LYS 81 HD2 LYS 81 0.458 7.372 1.352
26 HD3 LYS 81 HD3 LYS 81 1.049 7.700 -0.288
27 HE2 LYS 81 HE2 LYS 81 -1.026 6.722 -1.237
28 HE3 LYS 81 HE3 LYS 81 -1.607 6.358 0.392
29 HZ1 LYS 81 HZ1 LYS 81 -1.559 8.783 0.865
30 HZ2 LYS 81 HZ2 LYS 81 -1.096 9.093 -0.682
31 HZ3 LYS 81 HZ3 LYS 81 -2.560 8.441 -0.393
32 H VAL 82 H VAL 82 3.445 8.329 1.300
33 HA VAL 82 HA VAL 82 6.196 8.548 2.332
34 HB VAL 82 HB VAL 82 3.702 10.251 2.728
35 HG11 VAL 82 HG11 VAL 82 5.184 10.699 4.627
36 HG12 VAL 82 HG12 VAL 82 6.586 10.854 3.538
37 HG13 VAL 82 HG13 VAL 82 5.272 12.040 3.495
38 HG21 VAL 82 HG21 VAL 82 4.595 10.263 0.390
39 HG22 VAL 82 HG22 VAL 82 4.795 11.827 1.181
40 HG23 VAL 82 HG23 VAL 82 6.190 10.742 1.020
41 H LYS 83 H LYS 83 6.882 8.151 4.343
42 HA LYS 83 HA LYS 83 4.949 7.371 6.509
43 HB2 LYS 83 HB2 LYS 83 7.887 6.702 6.027
44 HB3 LYS 83 HB3 LYS 83 7.150 6.621 7.635
45 HG2 LYS 83 HG2 LYS 83 5.474 5.013 6.833
46 HG3 LYS 83 HG3 LYS 83 6.228 5.020 5.221
47 HD2 LYS 83 HD2 LYS 83 8.295 4.114 6.107
48 HD3 LYS 83 HD3 LYS 83 7.753 4.330 7.777
49 HE2 LYS 83 HE2 LYS 83 5.985 2.686 7.504
50 HE3 LYS 83 HE3 LYS 83 6.375 2.483 5.787
51 HZ1 LYS 83 HZ1 LYS 83 7.392 0.735 7.191
52 HZ2 LYS 83 HZ2 LYS 83 8.547 1.594 6.423
53 HZ3 LYS 83 HZ3 LYS 83 8.279 1.847 8.016
54 H GLN 84 H GLN 84 4.564 8.894 7.893
55 HA GLN 84 HA GLN 84 6.447 11.141 8.417
56 HB2 GLN 84 HB2 GLN 84 3.989 11.562 8.129
57 HB3 GLN 84 HB3 GLN 84 3.653 10.494 9.486
58 HG2 GLN 84 HG2 GLN 84 4.940 12.038 10.984
59 HG3 GLN 84 HG3 GLN 84 5.259 13.094 9.607
60 HE21 GLN 84 HE22 GLN 84 3.340 14.258 8.601
61 HE22 GLN 84 HE21 GLN 84 1.913 14.457 9.610
62 H TYR 85 H TYR 85 7.450 11.305 10.430
63 HA TYR 85 HA TYR 85 7.089 9.111 12.438
64 HB2 TYR 85 HB2 TYR 85 9.768 10.170 11.453
65 HB3 TYR 85 HB3 TYR 85 9.549 9.120 12.821
66 HD1 TYR 85 HD1 TYR 85 9.223 9.280 9.091
67 HD2 TYR 85 HD2 TYR 85 9.570 6.780 12.586
68 HE1 TYR 85 HE1 TYR 85 9.766 7.321 7.649
69 HE2 TYR 85 HE2 TYR 85 10.122 4.829 11.151
70 HH TYR 85 HH TYR 85 10.618 4.122 9.013
71 H LYS 86 H LYS 86 7.524 9.790 14.576
72 HA LYS 86 HA LYS 86 8.095 12.682 15.057
73 HB2 LYS 86 HB2 LYS 86 5.661 12.288 15.180
74 HB3 LYS 86 HB3 LYS 86 5.919 10.988 16.360
75 HG2 LYS 86 HG2 LYS 86 6.770 12.584 18.009
76 HG3 LYS 86 HG3 LYS 86 6.671 13.902 16.830
77 HD2 LYS 86 HD2 LYS 86 4.209 13.604 16.701
78 HD3 LYS 86 HD3 LYS 86 4.309 12.281 17.882
79 HE2 LYS 86 HE2 LYS 86 5.282 13.862 19.551
80 HE3 LYS 86 HE3 LYS 86 5.183 15.176 18.371
81 HZ1 LYS 86 HZ1 LYS 86 2.835 13.682 19.454
82 HZ2 LYS 86 HZ2 LYS 86 3.271 15.196 19.877
83 HZ3 LYS 86 HZ3 LYS 86 2.746 14.897 18.364
84 H ASN 87 H ASN 87 9.330 13.102 16.862
85 HA ASN 87 HA ASN 87 10.451 10.712 18.314
86 HB2 ASN 87 HB2 ASN 87 11.971 11.727 16.686
87 HB3 ASN 87 HB3 ASN 87 11.923 13.255 17.575
88 HD21 ASN 87 HD22 ASN 87 14.360 12.102 17.200
89 HD22 ASN 87 HD21 ASN 87 14.903 11.349 18.697
90 HA PRO 88 HA PRO 88 8.299 12.903 21.752
91 HB2 PRO 88 HB2 PRO 88 9.298 10.283 22.907
92 HB3 PRO 88 HB3 PRO 88 7.788 11.180 23.283
93 HG2 PRO 88 HG2 PRO 88 7.730 9.086 21.564
94 HG3 PRO 88 HG3 PRO 88 6.834 10.592 21.166
95 HD2 PRO 88 HD2 PRO 88 9.481 9.643 20.094
96 HD3 PRO 88 HD3 PRO 88 8.135 10.477 19.254
97 H HIS 89 H HIS 89 11.642 11.707 21.573
98 HA HIS 89 HA HIS 89 12.539 12.739 24.111
99 HB2 HIS 89 HB2 HIS 89 14.179 12.214 21.589
100 HB3 HIS 89 HB3 HIS 89 14.799 12.384 23.226
101 HD1 HIS 89 HD1 HIS 89 13.234 9.832 20.939
102 HD2 HIS 89 HD2 HIS 89 14.128 10.378 25.034
103 HE1 HIS 89 HE1 HIS 89 13.024 7.493 22.066
104 HE2 HIS 89 HE2 HIS 89 13.570 7.856 24.557
105 H THR 90 H THR 90 12.152 14.296 20.973
106 HA THR 90 HA THR 90 13.154 16.888 22.110
107 HB THR 90 HB THR 90 13.951 17.435 19.881
108 HG1 THR 90 HG1 THR 90 13.795 16.013 18.237
109 HG21 THR 90 HG21 THR 90 15.760 15.835 19.623
110 HG22 THR 90 HG22 THR 90 15.469 16.049 21.364
111 HG23 THR 90 HG23 THR 90 14.865 14.596 20.530
112 H GLY 91 H GLY 91 10.476 15.327 20.546
113 HA2 GLY 91 HA2 GLY 91 8.325 16.210 20.241
114 HA3 GLY 91 HA3 GLY 91 8.945 17.859 20.372
115 H GLU 92 H GLU 92 11.038 16.241 18.295
116 HA GLU 92 HA GLU 92 10.233 17.652 15.962
117 HB2 GLU 92 HB2 GLU 92 12.221 15.504 16.652
118 HB3 GLU 92 HB3 GLU 92 11.802 15.675 14.956
119 HG2 GLU 92 HG2 GLU 92 12.431 17.800 14.733
120 HG3 GLU 92 HG3 GLU 92 12.476 18.146 16.480
121 H VAL 93 H VAL 93 9.457 17.068 14.007
122 HA VAL 93 HA VAL 93 8.368 14.350 13.530
123 HB VAL 93 HB VAL 93 7.157 16.996 12.713
124 HG11 VAL 93 HG11 VAL 93 6.597 15.173 11.116
125 HG12 VAL 93 HG12 VAL 93 6.060 14.151 12.472
126 HG13 VAL 93 HG13 VAL 93 5.171 15.627 12.049
127 HG21 VAL 93 HG21 VAL 93 6.871 16.760 15.075
128 HG22 VAL 93 HG22 VAL 93 5.311 16.504 14.278
129 HG23 VAL 93 HG23 VAL 93 6.233 15.102 14.884
130 H ILE 94 H ILE 94 8.708 13.593 11.476
131 HA ILE 94 HA ILE 94 9.833 15.296 9.344
132 HB ILE 94 HB ILE 94 11.567 13.605 8.812
133 HG12 ILE 94 HG12 ILE 94 10.862 12.365 11.500
134 HG13 ILE 94 HG13 ILE 94 10.585 11.654 9.913
135 HG21 ILE 94 HG21 ILE 94 12.067 15.684 10.058
136 HG22 ILE 94 HG22 ILE 94 11.970 14.776 11.587
137 HG23 ILE 94 HG23 ILE 94 13.212 14.378 10.379
138 HD11 ILE 94 HD11 ILE 94 12.511 10.620 10.906
139 HD12 ILE 94 HD12 ILE 94 13.025 11.584 9.509
140 HD13 ILE 94 HD13 ILE 94 13.298 12.180 11.173
141 H GLU 95 H GLU 95 9.843 14.211 7.304
142 HA GLU 95 HA GLU 95 8.036 11.873 6.941
143 HB2 GLU 95 HB2 GLU 95 7.722 14.632 5.699
144 HB3 GLU 95 HB3 GLU 95 7.049 13.175 4.940
145 HG2 GLU 95 HG2 GLU 95 5.705 12.690 6.883
146 HG3 GLU 95 HG3 GLU 95 6.417 14.042 7.784
147 H THR 96 H THR 96 8.652 10.496 5.418
148 HA THR 96 HA THR 96 10.384 11.274 3.154
149 HB THR 96 HB THR 96 12.106 10.819 4.703
150 HG1 THR 96 HG1 THR 96 13.069 9.071 3.739
151 HG21 THR 96 HG21 THR 96 12.311 8.689 5.968
152 HG22 THR 96 HG22 THR 96 10.934 9.654 6.516
153 HG23 THR 96 HG23 THR 96 10.661 8.240 5.465
154 H LYS 97 H LYS 97 10.532 9.576 1.520
155 HA LYS 97 HA LYS 97 8.162 7.757 1.411
156 HB2 LYS 97 HB2 LYS 97 10.312 8.467 -0.624
157 HB3 LYS 97 HB3 LYS 97 9.003 7.310 -0.914
158 HG2 LYS 97 HG2 LYS 97 7.323 9.072 -0.422
159 HG3 LYS 97 HG3 LYS 97 8.614 10.266 -0.259
160 HD2 LYS 97 HD2 LYS 97 7.992 8.657 -2.779
161 HD3 LYS 97 HD3 LYS 97 7.486 10.322 -2.471
162 HE2 LYS 97 HE2 LYS 97 9.893 11.007 -2.280
163 HE3 LYS 97 HE3 LYS 97 10.379 9.352 -2.676
164 HZ1 LYS 97 HZ1 LYS 97 8.801 11.142 -4.463
165 HZ2 LYS 97 HZ2 LYS 97 10.378 10.772 -4.650
166 HZ3 LYS 97 HZ3 LYS 97 9.248 9.612 -4.833
167 H GLY 98 H GLY 98 11.161 7.507 2.783
168 HA2 GLY 98 HA2 GLY 98 11.697 5.429 3.912
169 HA3 GLY 98 HA3 GLY 98 11.207 4.515 2.487
170 H GLY 99 H GLY 99 12.986 7.227 1.489
171 HA2 GLY 99 HA2 GLY 99 15.333 5.688 0.722
172 HA3 GLY 99 HA3 GLY 99 15.052 7.406 0.462
173 H ASN 100 H ASN 100 17.515 6.947 1.005
174 HA ASN 100 HA ASN 100 18.341 6.766 3.749
175 HB2 ASN 100 HB2 ASN 100 19.780 6.188 1.828
176 HB3 ASN 100 HB3 ASN 100 19.755 7.874 1.287
177 HD21 ASN 100 HD22 ASN 100 22.077 7.986 1.451
178 HD22 ASN 100 HD21 ASN 100 22.840 8.090 3.030
179 H HIS 101 H HIS 101 16.920 8.214 4.830
180 HA HIS 101 HA HIS 101 17.405 11.153 4.520
181 HB2 HIS 101 HB2 HIS 101 15.107 10.197 4.263
182 HB3 HIS 101 HB3 HIS 101 15.146 9.670 5.939
183 HD1 HIS 101 HD1 HIS 101 14.771 11.643 7.766
184 HD2 HIS 101 HD2 HIS 101 14.878 12.823 3.727
185 HE1 HIS 101 HE1 HIS 101 14.197 14.169 7.740
186 HE2 HIS 101 HE2 HIS 101 14.190 14.848 5.244
187 H LYS 102 H LYS 102 19.285 11.449 5.632
188 HA LYS 102 HA LYS 102 20.451 10.166 7.688
189 HB2 LYS 102 HB2 LYS 102 21.443 11.986 6.357
190 HB3 LYS 102 HB3 LYS 102 20.466 13.174 7.203
191 HG2 LYS 102 HG2 LYS 102 22.717 13.249 8.024
192 HG3 LYS 102 HG3 LYS 102 21.670 12.677 9.317
193 HD2 LYS 102 HD2 LYS 102 22.449 10.357 8.958
194 HD3 LYS 102 HD3 LYS 102 23.408 10.891 7.552
195 HE2 LYS 102 HE2 LYS 102 24.687 12.435 9.066
196 HE3 LYS 102 HE3 LYS 102 23.774 11.812 10.447
197 HZ1 LYS 102 HZ1 LYS 102 25.925 10.693 10.209
198 HZ2 LYS 102 HZ2 LYS 102 24.733 9.599 9.995
199 HZ3 LYS 102 HZ3 LYS 102 25.561 10.180 8.704
200 H THR 103 H THR 103 18.168 12.851 8.407
201 HA THR 103 HA THR 103 18.379 12.761 11.203
202 HB THR 103 HB THR 103 15.849 13.348 9.616
203 HG1 THR 103 HG1 THR 103 16.722 15.489 9.564
204 HG21 THR 103 HG21 THR 103 15.394 15.009 11.368
205 HG22 THR 103 HG22 THR 103 15.463 13.380 12.046
206 HG23 THR 103 HG23 THR 103 16.844 14.486 12.261
207 H LEU 104 H LEU 104 16.415 10.625 9.137
208 HA LEU 104 HA LEU 104 14.993 9.343 11.393
209 HB2 LEU 104 HB2 LEU 104 13.970 9.395 9.122
210 HB3 LEU 104 HB3 LEU 104 15.385 8.587 8.444
211 HG LEU 104 HG LEU 104 14.902 6.583 9.821
212 HD11 LEU 104 HD11 LEU 104 12.298 7.991 10.517
213 HD12 LEU 104 HD12 LEU 104 12.717 6.292 10.860
214 HD13 LEU 104 HD13 LEU 104 13.602 7.597 11.658
215 HD21 LEU 104 HD21 LEU 104 12.566 7.442 8.091
216 HD22 LEU 104 HD22 LEU 104 14.100 6.765 7.487
217 HD23 LEU 104 HD23 LEU 104 13.037 5.782 8.508
218 H LYS 105 H LYS 105 17.800 8.620 9.228
219 HA LYS 105 HA LYS 105 18.493 6.132 10.333
220 HB2 LYS 105 HB2 LYS 105 19.417 7.435 8.277
221 HB3 LYS 105 HB3 LYS 105 20.586 8.124 9.446
222 HG2 LYS 105 HG2 LYS 105 21.343 5.840 10.021
223 HG3 LYS 105 HG3 LYS 105 20.127 5.148 8.929
224 HD2 LYS 105 HD2 LYS 105 21.229 6.266 7.001
225 HD3 LYS 105 HD3 LYS 105 22.460 6.932 8.099
226 HE2 LYS 105 HE2 LYS 105 23.129 4.629 8.755
227 HE3 LYS 105 HE3 LYS 105 21.894 3.954 7.685
228 HZ1 LYS 105 HZ1 LYS 105 24.219 5.593 6.777
229 HZ2 LYS 105 HZ2 LYS 105 24.090 3.973 6.623
230 HZ3 LYS 105 HZ3 LYS 105 23.082 4.950 5.790
231 H GLU 106 H GLU 106 19.559 9.376 11.368
232 HA GLU 106 HA GLU 106 21.109 8.542 13.559
233 HB2 GLU 106 HB2 GLU 106 19.536 11.058 12.951
234 HB3 GLU 106 HB3 GLU 106 20.216 10.837 14.567
235 HG2 GLU 106 HG2 GLU 106 22.445 10.501 13.642
236 HG3 GLU 106 HG3 GLU 106 21.803 10.690 11.990
237 H TRP 107 H TRP 107 17.590 9.263 13.506
238 HA TRP 107 HA TRP 107 17.159 8.666 16.254
239 HB2 TRP 107 HB2 TRP 107 15.235 8.415 13.916
240 HB3 TRP 107 HB3 TRP 107 14.780 8.356 15.606
241 HD1 TRP 107 HD1 TRP 107 17.253 11.030 15.459
242 HE1 TRP 107 HE1 TRP 107 16.194 13.341 15.215
243 HE3 TRP 107 HE3 TRP 107 12.493 9.630 14.123
244 HZ2 TRP 107 HZ2 TRP 107 13.685 14.450 14.485
245 HZ3 TRP 107 HZ3 TRP 107 10.769 11.374 13.710
246 HH2 TRP 107 HH2 TRP 107 11.359 13.799 13.877
247 H LYS 108 H LYS 108 17.050 6.487 13.429
248 HA LYS 108 HA LYS 108 16.240 4.095 14.880
249 HB2 LYS 108 HB2 LYS 108 17.746 4.444 12.233
250 HB3 LYS 108 HB3 LYS 108 17.112 2.896 12.855
251 HG2 LYS 108 HG2 LYS 108 14.809 3.886 12.902
252 HG3 LYS 108 HG3 LYS 108 15.437 5.380 12.276
253 HD2 LYS 108 HD2 LYS 108 14.511 4.516 10.415
254 HD3 LYS 108 HD3 LYS 108 16.170 3.957 10.190
255 HE2 LYS 108 HE2 LYS 108 15.528 1.719 10.874
256 HE3 LYS 108 HE3 LYS 108 13.973 2.310 11.518
257 HZ1 LYS 108 HZ1 LYS 108 14.607 2.468 8.617
258 HZ2 LYS 108 HZ2 LYS 108 13.859 1.181 9.276
259 HZ3 LYS 108 HZ3 LYS 108 13.128 2.631 9.355
260 H ALA 109 H ALA 109 19.421 5.473 14.131
261 HA ALA 109 HA ALA 109 20.923 3.324 15.348
262 HB1 ALA 109 HB1 ALA 109 21.663 6.236 14.815
263 HB2 ALA 109 HB2 ALA 109 22.803 4.920 15.189
264 HB3 ALA 109 HB3 ALA 109 21.860 4.876 13.688
265 H LYS 110 H LYS 110 19.674 6.408 16.599
266 HA LYS 110 HA LYS 110 20.999 6.194 19.186
267 HB2 LYS 110 HB2 LYS 110 18.912 8.084 18.054
268 HB3 LYS 110 HB3 LYS 110 19.541 8.238 19.697
269 HG2 LYS 110 HG2 LYS 110 21.805 8.575 18.907
270 HG3 LYS 110 HG3 LYS 110 21.347 8.228 17.240
271 HD2 LYS 110 HD2 LYS 110 19.812 10.235 17.288
272 HD3 LYS 110 HD3 LYS 110 20.424 10.593 18.919
273 HE2 LYS 110 HE2 LYS 110 22.763 10.632 17.947
274 HE3 LYS 110 HE3 LYS 110 22.061 10.455 16.329
275 HZ1 LYS 110 HZ1 LYS 110 22.474 12.781 16.810
276 HZ2 LYS 110 HZ2 LYS 110 20.870 12.581 16.720
277 HZ3 LYS 110 HZ3 LYS 110 21.593 12.745 18.187
278 H TRP 111 H TRP 111 17.688 5.478 18.153
279 HA TRP 111 HA TRP 111 17.066 4.518 20.932
280 HB2 TRP 111 HB2 TRP 111 15.304 6.020 18.967
281 HB3 TRP 111 HB3 TRP 111 14.758 5.341 20.498
282 HD1 TRP 111 HD1 TRP 111 16.171 6.237 22.747
283 HE1 TRP 111 HE1 TRP 111 17.007 8.593 23.325
284 HE3 TRP 111 HE3 TRP 111 15.982 8.326 18.090
285 HZ2 TRP 111 HZ2 TRP 111 17.665 11.027 21.921
286 HZ3 TRP 111 HZ3 TRP 111 16.818 10.653 17.721
287 HH2 TRP 111 HH2 TRP 111 17.645 12.007 19.628
288 H GLY 112 H GLY 112 17.502 3.278 17.892
289 HA2 GLY 112 HA2 GLY 112 17.408 0.964 17.558
290 HA3 GLY 112 HA3 GLY 112 16.014 0.804 18.614
291 HA PRO 113 HA PRO 113 14.918 1.954 13.999
292 HB2 PRO 113 HB2 PRO 113 15.119 -0.466 12.592
293 HB3 PRO 113 HB3 PRO 113 16.319 0.852 12.586
294 HG2 PRO 113 HG2 PRO 113 16.330 -1.648 14.251
295 HG3 PRO 113 HG3 PRO 113 17.694 -0.818 13.390
296 HD2 PRO 113 HD2 PRO 113 17.314 -0.576 16.054
297 HD3 PRO 113 HD3 PRO 113 17.872 0.800 15.055
298 H GLU 114 H GLU 114 14.232 -1.073 15.799
299 HA GLU 114 HA GLU 114 11.659 -1.514 14.645
300 HB2 GLU 114 HB2 GLU 114 12.870 -2.369 17.302
301 HB3 GLU 114 HB3 GLU 114 11.296 -2.933 16.704
302 HG2 GLU 114 HG2 GLU 114 12.402 -3.855 14.670
303 HG3 GLU 114 HG3 GLU 114 13.975 -3.376 15.313
304 H ALA 115 H ALA 115 12.710 0.259 17.529
305 HA ALA 115 HA ALA 115 10.084 1.018 18.474
306 HB1 ALA 115 HB1 ALA 115 12.077 1.110 19.911
307 HB2 ALA 115 HB2 ALA 115 12.825 2.317 18.842
308 HB3 ALA 115 HB3 ALA 115 11.365 2.735 19.752
309 H VAL 116 H VAL 116 12.516 2.695 16.436
310 HA VAL 116 HA VAL 116 10.935 5.022 15.946
311 HB VAL 116 HB VAL 116 13.229 3.808 14.401
312 HG11 VAL 116 HG11 VAL 116 13.558 6.129 13.489
313 HG12 VAL 116 HG12 VAL 116 12.083 5.361 12.899
314 HG13 VAL 116 HG13 VAL 116 11.990 6.588 14.179
315 HG21 VAL 116 HG21 VAL 116 14.559 5.520 15.566
316 HG22 VAL 116 HG22 VAL 116 13.122 6.088 16.413
317 HG23 VAL 116 HG23 VAL 116 13.776 4.493 16.760
318 H GLU 117 H GLU 117 11.035 1.904 14.096
319 HA GLU 117 HA GLU 117 9.224 2.936 12.062
320 HB2 GLU 117 HB2 GLU 117 9.925 0.108 12.936
321 HB3 GLU 117 HB3 GLU 117 8.745 0.458 11.679
322 HG2 GLU 117 HG2 GLU 117 11.693 1.218 11.623
323 HG3 GLU 117 HG3 GLU 117 10.923 -0.056 10.690
324 H SER 118 H SER 118 8.712 1.625 15.343
325 HA SER 118 HA SER 118 5.809 1.493 15.063
326 HB2 SER 118 HB2 SER 118 7.423 1.780 17.599
327 HB3 SER 118 HB3 SER 118 5.681 1.491 17.448
328 HG SER 118 HG SER 118 6.830 -0.478 17.743
329 H TRP 119 H TRP 119 8.088 4.159 15.579
330 HA TRP 119 HA TRP 119 6.020 6.094 16.304
331 HB2 TRP 119 HB2 TRP 119 8.675 6.702 14.975
332 HB3 TRP 119 HB3 TRP 119 7.643 7.787 15.858
333 HD1 TRP 119 HD1 TRP 119 7.551 5.261 18.252
334 HE1 TRP 119 HE1 TRP 119 9.445 5.342 19.962
335 HE3 TRP 119 HE3 TRP 119 10.806 8.395 15.756
336 HZ2 TRP 119 HZ2 TRP 119 12.069 6.450 20.170
337 HZ3 TRP 119 HZ3 TRP 119 12.922 9.066 16.843
338 HH2 TRP 119 HH2 TRP 119 13.597 8.085 19.021
339 H ALA 120 H ALA 120 6.804 4.499 13.320
340 HA ALA 120 HA ALA 120 6.334 6.680 11.547
341 HB1 ALA 120 HB1 ALA 120 7.607 4.538 11.036
342 HB2 ALA 120 HB2 ALA 120 6.029 3.753 10.827
343 HB3 ALA 120 HB3 ALA 120 6.493 5.106 9.781
344 H THR 121 H THR 121 4.594 7.288 10.342
345 HA THR 121 HA THR 121 2.057 5.712 10.304
346 HB THR 121 HB THR 121 0.963 8.098 10.202
347 HG1 THR 121 HG1 THR 121 1.954 9.572 11.617
348 HG21 THR 121 HG21 THR 121 0.457 6.406 11.937
349 HG22 THR 121 HG22 THR 121 1.870 6.954 12.874
350 HG23 THR 121 HG23 THR 121 0.488 8.044 12.604
351 H LEU 122 H LEU 122 1.546 5.183 8.400
352 HA LEU 122 HA LEU 122 2.663 6.405 5.996
353 HB2 LEU 122 HB2 LEU 122 0.615 4.268 6.658
354 HB3 LEU 122 HB3 LEU 122 0.899 4.747 4.980
355 HG LEU 122 HG LEU 122 3.148 3.785 6.798
356 HD11 LEU 122 HD11 LEU 122 2.905 1.591 5.691
357 HD12 LEU 122 HD12 LEU 122 1.457 2.005 6.629
358 HD13 LEU 122 HD13 LEU 122 1.443 2.158 4.857
359 HD21 LEU 122 HD21 LEU 122 2.845 3.909 3.752
360 HD22 LEU 122 HD22 LEU 122 3.823 5.025 4.716
361 HD23 LEU 122 HD23 LEU 122 4.269 3.314 4.630
362 H LEU 123 H LEU 123 1.851 8.063 4.835
363 HA LEU 123 HA LEU 123 -0.540 9.452 5.755
364 HB2 LEU 123 HB2 LEU 123 1.308 10.038 3.410
365 HB3 LEU 123 HB3 LEU 123 0.045 11.102 4.025
366 HG LEU 123 HG LEU 123 2.631 10.319 5.428
367 HD11 LEU 123 HD11 LEU 123 1.470 13.024 4.650
368 HD12 LEU 123 HD12 LEU 123 3.079 12.694 5.330
369 HD13 LEU 123 HD13 LEU 123 2.672 12.138 3.698
370 HD21 LEU 123 HD21 LEU 123 0.239 11.851 6.535
371 HD22 LEU 123 HD22 LEU 123 0.973 10.371 7.201
372 HD23 LEU 123 HD23 LEU 123 1.859 11.897 7.247
373 H GLY 124 H GLY 124 -1.791 7.427 5.336
374 HA2 GLY 124 HA2 GLY 124 -3.478 7.824 2.910
375 HA3 GLY 124 HA3 GLY 124 -2.813 6.209 3.227
376 H HIS 125 H HIS 125 -3.926 8.569 5.626
377 HA HIS 125 HA HIS 125 -6.240 6.906 6.494
378 HB2 HIS 125 HB2 HIS 125 -4.015 7.768 8.343
379 HB3 HIS 125 HB3 HIS 125 -5.527 6.939 8.735
380 HD1 HIS 125 HD1 HIS 125 -1.999 6.145 7.640
381 HD2 HIS 125 HD2 HIS 125 -5.831 4.361 7.784
382 HE1 HIS 125 HE1 HIS 125 -1.641 3.595 7.363
383 HE2 HIS 125 HE2 HIS 125 -3.980 2.524 7.438
Start of MODEL 5
1 H ALA 79 H1 ALA 79 2.164 0.595 -0.375
2 HA ALA 79 HA ALA 79 3.220 0.742 -3.129
3 HB1 ALA 79 HB1 ALA 79 1.655 2.626 -3.495
4 HB2 ALA 79 HB2 ALA 79 0.769 1.154 -3.086
5 HB3 ALA 79 HB3 ALA 79 0.988 2.422 -1.864
6 H ARG 80 H ARG 80 4.014 3.068 -3.589
7 HA ARG 80 HA ARG 80 6.140 3.700 -1.681
8 HB2 ARG 80 HB2 ARG 80 5.459 4.909 -4.363
9 HB3 ARG 80 HB3 ARG 80 6.903 5.225 -3.370
10 HG2 ARG 80 HG2 ARG 80 7.476 2.829 -3.401
11 HG3 ARG 80 HG3 ARG 80 6.120 2.509 -4.495
12 HD2 ARG 80 HD2 ARG 80 7.103 4.034 -6.171
13 HD3 ARG 80 HD3 ARG 80 8.470 4.363 -5.086
14 HE ARG 80 HE ARG 80 8.316 1.557 -5.409
15 HH11 ARG 80 HH11 ARG 80 9.034 4.301 -7.470
16 HH12 ARG 80 HH12 ARG 80 10.046 3.361 -8.532
17 HH21 ARG 80 HH21 ARG 80 9.630 0.412 -6.795
18 HH22 ARG 80 HH22 ARG 80 10.368 1.208 -8.156
19 H LYS 81 H LYS 81 3.667 4.240 -0.468
20 HA LYS 81 HA LYS 81 2.966 7.080 -0.409
21 HB2 LYS 81 HB2 LYS 81 2.410 4.671 1.386
22 HB3 LYS 81 HB3 LYS 81 1.886 6.304 1.831
23 HG2 LYS 81 HG2 LYS 81 0.530 6.505 -0.174
24 HG3 LYS 81 HG3 LYS 81 1.113 4.936 -0.776
25 HD2 LYS 81 HD2 LYS 81 0.134 3.845 1.267
26 HD3 LYS 81 HD3 LYS 81 -0.554 5.401 1.749
27 HE2 LYS 81 HE2 LYS 81 -1.161 3.933 -0.869
28 HE3 LYS 81 HE3 LYS 81 -2.139 3.819 0.595
29 HZ1 LYS 81 HZ1 LYS 81 -1.685 6.330 -0.953
30 HZ2 LYS 81 HZ2 LYS 81 -3.066 5.466 -0.909
31 HZ3 LYS 81 HZ3 LYS 81 -2.557 6.228 0.438
32 H VAL 82 H VAL 82 3.244 8.505 1.261
33 HA VAL 82 HA VAL 82 5.954 8.703 2.361
34 HB VAL 82 HB VAL 82 3.447 10.380 2.762
35 HG11 VAL 82 HG11 VAL 82 4.847 10.811 4.697
36 HG12 VAL 82 HG12 VAL 82 6.307 10.951 3.670
37 HG13 VAL 82 HG13 VAL 82 5.019 12.168 3.584
38 HG21 VAL 82 HG21 VAL 82 4.383 10.410 0.443
39 HG22 VAL 82 HG22 VAL 82 4.543 11.976 1.249
40 HG23 VAL 82 HG23 VAL 82 5.958 10.909 1.112
41 H LYS 83 H LYS 83 6.635 8.364 4.406
42 HA LYS 83 HA LYS 83 4.679 7.539 6.530
43 HB2 LYS 83 HB2 LYS 83 7.562 6.708 6.026
44 HB3 LYS 83 HB3 LYS 83 6.799 6.573 7.627
45 HG2 LYS 83 HG2 LYS 83 5.039 5.144 6.739
46 HG3 LYS 83 HG3 LYS 83 5.734 5.238 5.109
47 HD2 LYS 83 HD2 LYS 83 7.733 4.080 5.798
48 HD3 LYS 83 HD3 LYS 83 7.314 4.212 7.516
49 HE2 LYS 83 HE2 LYS 83 5.378 2.755 7.228
50 HE3 LYS 83 HE3 LYS 83 5.659 2.662 5.477
51 HZ1 LYS 83 HZ1 LYS 83 6.550 0.704 6.631
52 HZ2 LYS 83 HZ2 LYS 83 7.773 1.521 5.930
53 HZ3 LYS 83 HZ3 LYS 83 7.538 1.620 7.551
54 H GLN 84 H GLN 84 4.389 9.027 7.983
55 HA GLN 84 HA GLN 84 6.365 11.189 8.510
56 HB2 GLN 84 HB2 GLN 84 3.933 11.719 8.277
57 HB3 GLN 84 HB3 GLN 84 3.568 10.657 9.628
58 HG2 GLN 84 HG2 GLN 84 4.923 12.127 11.127
59 HG3 GLN 84 HG3 GLN 84 5.298 13.176 9.754
60 HE21 GLN 84 HE22 GLN 84 3.480 14.494 8.795
61 HE22 GLN 84 HE21 GLN 84 2.048 14.733 9.789
62 H TYR 85 H TYR 85 7.392 11.335 10.493
63 HA TYR 85 HA TYR 85 7.051 9.147 12.507
64 HB2 TYR 85 HB2 TYR 85 9.683 10.229 11.419
65 HB3 TYR 85 HB3 TYR 85 9.532 9.192 12.817
66 HD1 TYR 85 HD1 TYR 85 9.089 9.313 9.100
67 HD2 TYR 85 HD2 TYR 85 9.472 6.833 12.609
68 HE1 TYR 85 HE1 TYR 85 9.481 7.329 7.659
69 HE2 TYR 85 HE2 TYR 85 9.895 4.856 11.170
70 HH TYR 85 HH TYR 85 9.984 5.067 7.594
71 H LYS 86 H LYS 86 7.382 9.836 14.619
72 HA LYS 86 HA LYS 86 8.081 12.704 15.126
73 HB2 LYS 86 HB2 LYS 86 5.629 12.382 15.271
74 HB3 LYS 86 HB3 LYS 86 5.864 11.088 16.462
75 HG2 LYS 86 HG2 LYS 86 6.808 12.671 18.069
76 HG3 LYS 86 HG3 LYS 86 6.762 13.977 16.869
77 HD2 LYS 86 HD2 LYS 86 4.285 13.801 16.773
78 HD3 LYS 86 HD3 LYS 86 4.336 12.489 17.976
79 HE2 LYS 86 HE2 LYS 86 5.394 14.047 19.609
80 HE3 LYS 86 HE3 LYS 86 5.345 15.347 18.407
81 HZ1 LYS 86 HZ1 LYS 86 3.445 15.476 19.932
82 HZ2 LYS 86 HZ2 LYS 86 2.905 15.181 18.422
83 HZ3 LYS 86 HZ3 LYS 86 2.943 13.978 19.531
84 H ASN 87 H ASN 87 9.473 13.040 16.757
85 HA ASN 87 HA ASN 87 10.433 10.649 18.300
86 HB2 ASN 87 HB2 ASN 87 12.030 11.617 16.701
87 HB3 ASN 87 HB3 ASN 87 12.015 13.134 17.603
88 HD21 ASN 87 HD22 ASN 87 14.414 11.860 17.289
89 HD22 ASN 87 HD21 ASN 87 14.892 11.096 18.800
90 HA PRO 88 HA PRO 88 8.271 13.301 21.369
91 HB2 PRO 88 HB2 PRO 88 7.854 11.353 23.304
92 HB3 PRO 88 HB3 PRO 88 6.808 11.636 21.879
93 HG2 PRO 88 HG2 PRO 88 9.050 9.610 22.169
94 HG3 PRO 88 HG3 PRO 88 7.386 9.345 21.551
95 HD2 PRO 88 HD2 PRO 88 9.439 9.708 19.867
96 HD3 PRO 88 HD3 PRO 88 7.860 10.479 19.520
97 H HIS 89 H HIS 89 11.285 11.617 21.643
98 HA HIS 89 HA HIS 89 12.099 12.590 24.248
99 HB2 HIS 89 HB2 HIS 89 13.879 11.775 21.910
100 HB3 HIS 89 HB3 HIS 89 14.308 11.821 23.614
101 HD1 HIS 89 HD1 HIS 89 12.740 9.567 21.048
102 HD2 HIS 89 HD2 HIS 89 12.982 9.969 25.253
103 HE1 HIS 89 HE1 HIS 89 11.898 7.320 22.074
104 HE2 HIS 89 HE2 HIS 89 12.082 7.584 24.624
105 H THR 90 H THR 90 12.073 14.060 21.056
106 HA THR 90 HA THR 90 13.444 16.512 22.122
107 HB THR 90 HB THR 90 14.295 16.867 19.874
108 HG1 THR 90 HG1 THR 90 13.881 15.385 18.271
109 HG21 THR 90 HG21 THR 90 15.602 15.307 21.377
110 HG22 THR 90 HG22 THR 90 14.777 13.943 20.581
111 HG23 THR 90 HG23 THR 90 15.835 15.018 19.637
112 H GLY 91 H GLY 91 10.619 15.288 20.461
113 HA2 GLY 91 HA2 GLY 91 8.562 16.456 20.282
114 HA3 GLY 91 HA3 GLY 91 9.404 18.005 20.344
115 H GLU 92 H GLU 92 11.260 16.235 18.244
116 HA GLU 92 HA GLU 92 10.398 17.664 15.940
117 HB2 GLU 92 HB2 GLU 92 12.444 15.563 16.582
118 HB3 GLU 92 HB3 GLU 92 11.948 15.688 14.892
119 HG2 GLU 92 HG2 GLU 92 12.448 17.881 14.660
120 HG3 GLU 92 HG3 GLU 92 12.717 18.146 16.411
121 H VAL 93 H VAL 93 9.536 17.097 14.016
122 HA VAL 93 HA VAL 93 8.428 14.381 13.565
123 HB VAL 93 HB VAL 93 7.219 17.036 12.755
124 HG11 VAL 93 HG11 VAL 93 6.619 15.212 11.178
125 HG12 VAL 93 HG12 VAL 93 6.098 14.202 12.543
126 HG13 VAL 93 HG13 VAL 93 5.213 15.686 12.133
127 HG21 VAL 93 HG21 VAL 93 6.980 16.803 15.133
128 HG22 VAL 93 HG22 VAL 93 5.405 16.577 14.358
129 HG23 VAL 93 HG23 VAL 93 6.304 15.159 14.950
130 H ILE 94 H ILE 94 8.730 13.615 11.509
131 HA ILE 94 HA ILE 94 9.795 15.319 9.349
132 HB ILE 94 HB ILE 94 11.533 13.648 8.766
133 HG12 ILE 94 HG12 ILE 94 10.953 12.435 11.491
134 HG13 ILE 94 HG13 ILE 94 10.601 11.697 9.933
135 HG21 ILE 94 HG21 ILE 94 13.213 14.459 10.279
136 HG22 ILE 94 HG22 ILE 94 12.039 15.745 9.998
137 HG23 ILE 94 HG23 ILE 94 12.010 14.835 11.528
138 HD11 ILE 94 HD11 ILE 94 13.390 12.281 11.001
139 HD12 ILE 94 HD12 ILE 94 12.589 10.709 10.894
140 HD13 ILE 94 HD13 ILE 94 12.987 11.578 9.404
141 H GLU 95 H GLU 95 9.761 14.238 7.315
142 HA GLU 95 HA GLU 95 7.945 11.900 6.990
143 HB2 GLU 95 HB2 GLU 95 7.622 14.668 5.784
144 HB3 GLU 95 HB3 GLU 95 6.968 13.235 4.983
145 HG2 GLU 95 HG2 GLU 95 5.557 12.702 6.850
146 HG3 GLU 95 HG3 GLU 95 6.321 13.937 7.859
147 H THR 96 H THR 96 8.503 10.530 5.433
148 HA THR 96 HA THR 96 10.228 11.286 3.164
149 HB THR 96 HB THR 96 11.957 10.785 4.707
150 HG1 THR 96 HG1 THR 96 12.883 9.037 3.704
151 HG21 THR 96 HG21 THR 96 10.801 9.638 6.522
152 HG22 THR 96 HG22 THR 96 10.448 8.249 5.464
153 HG23 THR 96 HG23 THR 96 12.121 8.623 5.933
154 H LYS 97 H LYS 97 10.335 9.576 1.525
155 HA LYS 97 HA LYS 97 7.917 7.807 1.464
156 HB2 LYS 97 HB2 LYS 97 9.956 8.591 -0.659
157 HB3 LYS 97 HB3 LYS 97 8.635 7.442 -0.916
158 HG2 LYS 97 HG2 LYS 97 6.964 9.171 -0.370
159 HG3 LYS 97 HG3 LYS 97 8.254 10.336 -0.052
160 HD2 LYS 97 HD2 LYS 97 7.365 10.799 -2.213
161 HD3 LYS 97 HD3 LYS 97 8.999 10.151 -2.426
162 HE2 LYS 97 HE2 LYS 97 8.047 7.929 -3.003
163 HE3 LYS 97 HE3 LYS 97 6.415 8.539 -2.713
164 HZ1 LYS 97 HZ1 LYS 97 6.739 10.113 -4.554
165 HZ2 LYS 97 HZ2 LYS 97 8.254 9.556 -4.833
166 HZ3 LYS 97 HZ3 LYS 97 6.965 8.593 -5.091
167 H GLY 98 H GLY 98 10.957 7.490 2.704
168 HA2 GLY 98 HA2 GLY 98 11.430 5.368 3.777
169 HA3 GLY 98 HA3 GLY 98 10.945 4.510 2.319
170 H GLY 99 H GLY 99 12.828 7.228 1.473
171 HA2 GLY 99 HA2 GLY 99 15.112 5.630 0.650
172 HA3 GLY 99 HA3 GLY 99 14.912 7.369 0.474
173 H ASN 100 H ASN 100 17.341 6.759 0.988
174 HA ASN 100 HA ASN 100 18.170 6.480 3.729
175 HB2 ASN 100 HB2 ASN 100 19.569 5.863 1.791
176 HB3 ASN 100 HB3 ASN 100 19.622 7.551 1.275
177 HD21 ASN 100 HD22 ASN 100 21.983 7.320 1.396
178 HD22 ASN 100 HD21 ASN 100 22.759 7.464 2.965
179 H HIS 101 H HIS 101 16.843 7.964 4.862
180 HA HIS 101 HA HIS 101 17.351 10.885 4.499
181 HB2 HIS 101 HB2 HIS 101 15.043 9.933 4.333
182 HB3 HIS 101 HB3 HIS 101 15.127 9.467 6.030
183 HD1 HIS 101 HD1 HIS 101 14.803 11.509 7.785
184 HD2 HIS 101 HD2 HIS 101 14.869 12.548 3.703
185 HE1 HIS 101 HE1 HIS 101 14.255 14.036 7.678
186 HE2 HIS 101 HE2 HIS 101 14.225 14.635 5.167
187 H LYS 102 H LYS 102 19.264 11.180 5.536
188 HA LYS 102 HA LYS 102 20.535 10.075 7.614
189 HB2 LYS 102 HB2 LYS 102 21.441 11.814 6.209
190 HB3 LYS 102 HB3 LYS 102 20.327 13.014 6.840
191 HG2 LYS 102 HG2 LYS 102 22.613 13.356 7.580
192 HG3 LYS 102 HG3 LYS 102 21.507 13.139 8.937
193 HD2 LYS 102 HD2 LYS 102 22.397 11.014 9.492
194 HD3 LYS 102 HD3 LYS 102 23.092 10.779 7.885
195 HE2 LYS 102 HE2 LYS 102 24.799 11.217 9.640
196 HE3 LYS 102 HE3 LYS 102 24.860 12.325 8.270
197 HZ1 LYS 102 HZ1 LYS 102 23.545 13.016 10.867
198 HZ2 LYS 102 HZ2 LYS 102 25.078 13.436 10.472
199 HZ3 LYS 102 HZ3 LYS 102 23.836 14.035 9.614
200 H THR 103 H THR 103 18.214 12.729 8.323
201 HA THR 103 HA THR 103 18.484 12.672 11.126
202 HB THR 103 HB THR 103 15.950 13.279 9.544
203 HG1 THR 103 HG1 THR 103 16.824 15.405 9.481
204 HG21 THR 103 HG21 THR 103 15.534 13.304 11.976
205 HG22 THR 103 HG22 THR 103 16.916 14.402 12.204
206 HG23 THR 103 HG23 THR 103 15.481 14.933 11.291
207 H LEU 104 H LEU 104 16.506 10.519 9.107
208 HA LEU 104 HA LEU 104 15.072 9.315 11.387
209 HB2 LEU 104 HB2 LEU 104 14.128 9.391 9.029
210 HB3 LEU 104 HB3 LEU 104 15.448 8.343 8.503
211 HG LEU 104 HG LEU 104 14.597 6.589 10.125
212 HD11 LEU 104 HD11 LEU 104 12.282 6.799 10.919
213 HD12 LEU 104 HD12 LEU 104 13.288 8.044 11.660
214 HD13 LEU 104 HD13 LEU 104 12.190 8.459 10.318
215 HD21 LEU 104 HD21 LEU 104 14.032 6.557 7.707
216 HD22 LEU 104 HD22 LEU 104 12.738 5.888 8.721
217 HD23 LEU 104 HD23 LEU 104 12.579 7.528 8.058
218 H LYS 105 H LYS 105 17.856 8.479 9.238
219 HA LYS 105 HA LYS 105 18.530 6.020 10.423
220 HB2 LYS 105 HB2 LYS 105 19.498 7.284 8.333
221 HB3 LYS 105 HB3 LYS 105 20.659 7.960 9.510
222 HG2 LYS 105 HG2 LYS 105 21.305 5.620 10.141
223 HG3 LYS 105 HG3 LYS 105 20.114 5.001 8.994
224 HD2 LYS 105 HD2 LYS 105 22.215 4.814 7.927
225 HD3 LYS 105 HD3 LYS 105 21.386 6.159 7.132
226 HE2 LYS 105 HE2 LYS 105 22.713 7.777 8.462
227 HE3 LYS 105 HE3 LYS 105 23.463 6.452 9.361
228 HZ1 LYS 105 HZ1 LYS 105 24.477 5.686 7.274
229 HZ2 LYS 105 HZ2 LYS 105 23.780 6.900 6.427
230 HZ3 LYS 105 HZ3 LYS 105 24.912 7.229 7.561
231 H GLU 106 H GLU 106 19.634 9.281 11.375
232 HA GLU 106 HA GLU 106 21.160 8.475 13.594
233 HB2 GLU 106 HB2 GLU 106 19.660 11.000 12.865
234 HB3 GLU 106 HB3 GLU 106 20.256 10.819 14.516
235 HG2 GLU 106 HG2 GLU 106 22.514 10.287 13.648
236 HG3 GLU 106 HG3 GLU 106 21.909 10.565 11.992
237 H TRP 107 H TRP 107 17.648 9.123 13.459
238 HA TRP 107 HA TRP 107 17.218 8.615 16.249
239 HB2 TRP 107 HB2 TRP 107 15.282 8.382 13.921
240 HB3 TRP 107 HB3 TRP 107 14.839 8.316 15.614
241 HD1 TRP 107 HD1 TRP 107 17.310 10.943 15.570
242 HE1 TRP 107 HE1 TRP 107 16.294 13.276 15.340
243 HE3 TRP 107 HE3 TRP 107 12.580 9.636 14.037
244 HZ2 TRP 107 HZ2 TRP 107 13.824 14.429 14.539
245 HZ3 TRP 107 HZ3 TRP 107 10.891 11.409 13.627
246 HH2 TRP 107 HH2 TRP 107 11.510 13.823 13.845
247 H LYS 108 H LYS 108 17.163 6.399 13.437
248 HA LYS 108 HA LYS 108 16.353 4.030 14.911
249 HB2 LYS 108 HB2 LYS 108 18.040 4.286 12.370
250 HB3 LYS 108 HB3 LYS 108 17.335 2.769 12.996
251 HG2 LYS 108 HG2 LYS 108 15.053 3.782 12.769
252 HG3 LYS 108 HG3 LYS 108 15.769 5.215 12.072
253 HD2 LYS 108 HD2 LYS 108 15.466 4.260 10.065
254 HD3 LYS 108 HD3 LYS 108 16.861 3.234 10.447
255 HE2 LYS 108 HE2 LYS 108 15.265 1.610 11.550
256 HE3 LYS 108 HE3 LYS 108 13.917 2.630 11.032
257 HZ1 LYS 108 HZ1 LYS 108 14.223 0.808 9.500
258 HZ2 LYS 108 HZ2 LYS 108 14.589 2.189 8.699
259 HZ3 LYS 108 HZ3 LYS 108 15.792 1.194 9.200
260 H ALA 109 H ALA 109 19.525 5.484 14.294
261 HA ALA 109 HA ALA 109 21.067 3.429 15.607
262 HB1 ALA 109 HB1 ALA 109 21.976 5.018 13.949
263 HB2 ALA 109 HB2 ALA 109 21.705 6.365 15.078
264 HB3 ALA 109 HB3 ALA 109 22.878 5.089 15.478
265 H LYS 110 H LYS 110 19.593 6.440 16.770
266 HA LYS 110 HA LYS 110 20.819 6.117 19.449
267 HB2 LYS 110 HB2 LYS 110 19.369 8.418 18.113
268 HB3 LYS 110 HB3 LYS 110 19.853 8.433 19.813
269 HG2 LYS 110 HG2 LYS 110 22.190 7.959 19.205
270 HG3 LYS 110 HG3 LYS 110 21.789 7.960 17.490
271 HD2 LYS 110 HD2 LYS 110 21.295 10.385 19.263
272 HD3 LYS 110 HD3 LYS 110 22.876 10.047 18.545
273 HE2 LYS 110 HE2 LYS 110 21.833 10.013 16.266
274 HE3 LYS 110 HE3 LYS 110 20.283 10.471 16.996
275 HZ1 LYS 110 HZ1 LYS 110 21.671 12.384 16.099
276 HZ2 LYS 110 HZ2 LYS 110 21.261 12.568 17.686
277 HZ3 LYS 110 HZ3 LYS 110 22.770 12.099 17.264
278 H TRP 111 H TRP 111 17.624 5.545 18.211
279 HA TRP 111 HA TRP 111 16.798 4.820 21.007
280 HB2 TRP 111 HB2 TRP 111 15.153 6.181 18.849
281 HB3 TRP 111 HB3 TRP 111 14.461 5.455 20.289
282 HD1 TRP 111 HD1 TRP 111 15.140 6.483 22.691
283 HE1 TRP 111 HE1 TRP 111 15.836 8.843 23.410
284 HE3 TRP 111 HE3 TRP 111 16.330 8.378 18.123
285 HZ2 TRP 111 HZ2 TRP 111 16.858 11.247 22.153
286 HZ3 TRP 111 HZ3 TRP 111 17.253 10.702 17.901
287 HH2 TRP 111 HH2 TRP 111 17.490 12.138 19.913
288 H GLY 112 H GLY 112 17.362 3.508 17.956
289 HA2 GLY 112 HA2 GLY 112 17.405 1.155 17.741
290 HA3 GLY 112 HA3 GLY 112 15.959 0.984 18.726
291 HA PRO 113 HA PRO 113 15.087 1.856 14.018
292 HB2 PRO 113 HB2 PRO 113 15.365 -0.664 12.799
293 HB3 PRO 113 HB3 PRO 113 16.562 0.658 12.760
294 HG2 PRO 113 HG2 PRO 113 16.498 -1.732 14.565
295 HG3 PRO 113 HG3 PRO 113 17.903 -0.920 13.760
296 HD2 PRO 113 HD2 PRO 113 17.315 -0.563 16.379
297 HD3 PRO 113 HD3 PRO 113 17.973 0.756 15.354
298 H GLU 114 H GLU 114 14.282 -1.103 15.893
299 HA GLU 114 HA GLU 114 11.727 -1.507 14.675
300 HB2 GLU 114 HB2 GLU 114 12.850 -2.336 17.381
301 HB3 GLU 114 HB3 GLU 114 11.294 -2.892 16.743
302 HG2 GLU 114 HG2 GLU 114 12.455 -3.872 14.766
303 HG3 GLU 114 HG3 GLU 114 14.009 -3.374 15.444
304 H ALA 115 H ALA 115 12.763 0.329 17.520
305 HA ALA 115 HA ALA 115 10.133 1.144 18.417
306 HB1 ALA 115 HB1 ALA 115 12.142 1.247 19.849
307 HB2 ALA 115 HB2 ALA 115 12.869 2.453 18.767
308 HB3 ALA 115 HB3 ALA 115 11.403 2.857 19.680
309 H VAL 116 H VAL 116 12.604 2.780 16.352
310 HA VAL 116 HA VAL 116 11.005 5.063 15.748
311 HB VAL 116 HB VAL 116 13.303 3.789 14.246
312 HG11 VAL 116 HG11 VAL 116 12.057 6.555 13.905
313 HG12 VAL 116 HG12 VAL 116 13.607 6.033 13.197
314 HG13 VAL 116 HG13 VAL 116 12.100 5.262 12.685
315 HG21 VAL 116 HG21 VAL 116 13.818 4.628 16.584
316 HG22 VAL 116 HG22 VAL 116 14.632 5.530 15.311
317 HG23 VAL 116 HG23 VAL 116 13.208 6.208 16.103
318 H GLU 117 H GLU 117 11.235 1.909 13.975
319 HA GLU 117 HA GLU 117 9.416 2.773 11.883
320 HB2 GLU 117 HB2 GLU 117 10.353 0.060 12.870
321 HB3 GLU 117 HB3 GLU 117 9.143 0.242 11.585
322 HG2 GLU 117 HG2 GLU 117 10.665 1.556 10.224
323 HG3 GLU 117 HG3 GLU 117 11.884 1.569 11.492
324 H SER 118 H SER 118 8.891 1.661 15.182
325 HA SER 118 HA SER 118 6.019 1.288 14.855
326 HB2 SER 118 HB2 SER 118 7.333 0.196 16.574
327 HB3 SER 118 HB3 SER 118 7.532 1.745 17.424
328 HG SER 118 HG SER 118 5.264 1.815 17.690
329 H TRP 119 H TRP 119 8.126 4.104 15.393
330 HA TRP 119 HA TRP 119 5.998 5.948 16.141
331 HB2 TRP 119 HB2 TRP 119 8.608 6.649 14.775
332 HB3 TRP 119 HB3 TRP 119 7.547 7.713 15.654
333 HD1 TRP 119 HD1 TRP 119 7.555 5.229 18.099
334 HE1 TRP 119 HE1 TRP 119 9.476 5.393 19.780
335 HE3 TRP 119 HE3 TRP 119 10.684 8.385 15.486
336 HZ2 TRP 119 HZ2 TRP 119 12.089 6.582 19.912
337 HZ3 TRP 119 HZ3 TRP 119 12.813 9.122 16.511
338 HH2 TRP 119 HH2 TRP 119 13.540 8.219 18.700
339 H ALA 120 H ALA 120 6.867 4.454 13.127
340 HA ALA 120 HA ALA 120 6.296 6.521 11.318
341 HB1 ALA 120 HB1 ALA 120 5.864 3.552 10.815
342 HB2 ALA 120 HB2 ALA 120 6.187 4.815 9.613
343 HB3 ALA 120 HB3 ALA 120 7.451 4.353 10.775
344 H THR 121 H THR 121 4.538 7.227 10.222
345 HA THR 121 HA THR 121 1.933 5.762 10.291
346 HB THR 121 HB THR 121 0.928 8.194 10.205
347 HG1 THR 121 HG1 THR 121 3.181 8.588 11.891
348 HG21 THR 121 HG21 THR 121 0.289 6.532 11.849
349 HG22 THR 121 HG22 THR 121 1.736 6.899 12.826
350 HG23 THR 121 HG23 THR 121 0.458 8.126 12.598
351 H LEU 122 H LEU 122 1.384 5.244 8.396
352 HA LEU 122 HA LEU 122 2.392 6.387 5.941
353 HB2 LEU 122 HB2 LEU 122 0.057 4.593 6.702
354 HB3 LEU 122 HB3 LEU 122 0.393 5.025 5.022
355 HG LEU 122 HG LEU 122 2.457 3.667 6.812
356 HD11 LEU 122 HD11 LEU 122 0.484 2.207 6.625
357 HD12 LEU 122 HD12 LEU 122 0.495 2.392 4.854
358 HD13 LEU 122 HD13 LEU 122 1.833 1.556 5.680
359 HD21 LEU 122 HD21 LEU 122 2.173 3.873 3.771
360 HD22 LEU 122 HD22 LEU 122 3.331 4.795 4.743
361 HD23 LEU 122 HD23 LEU 122 3.474 3.035 4.633
362 H LEU 123 H LEU 123 1.664 8.072 4.760
363 HA LEU 123 HA LEU 123 -0.785 9.527 5.676
364 HB2 LEU 123 HB2 LEU 123 1.444 10.493 3.842
365 HB3 LEU 123 HB3 LEU 123 0.126 11.444 4.507
366 HG LEU 123 HG LEU 123 2.529 10.322 6.005
367 HD11 LEU 123 HD11 LEU 123 2.940 12.694 6.453
368 HD12 LEU 123 HD12 LEU 123 2.801 12.423 4.706
369 HD13 LEU 123 HD13 LEU 123 1.452 13.144 5.604
370 HD21 LEU 123 HD21 LEU 123 1.553 11.456 8.025
371 HD22 LEU 123 HD22 LEU 123 0.044 11.710 7.134
372 HD23 LEU 123 HD23 LEU 123 0.597 10.062 7.518
373 H GLY 124 H GLY 124 -2.030 10.634 3.887
374 HA2 GLY 124 HA2 GLY 124 -1.954 9.824 1.162
375 HA3 GLY 124 HA3 GLY 124 -3.135 8.821 2.007
376 H HIS 125 H HIS 125 -4.250 10.170 0.113
377 HA HIS 125 HA HIS 125 -5.990 12.130 1.420
378 HB2 HIS 125 HB2 HIS 125 -5.711 13.837 -0.358
379 HB3 HIS 125 HB3 HIS 125 -4.313 13.662 0.692
380 HD1 HIS 125 HD1 HIS 125 -4.888 11.394 -2.361
381 HD2 HIS 125 HD2 HIS 125 -2.504 14.595 -0.998
382 HE1 HIS 125 HE1 HIS 125 -3.022 11.735 -4.151
383 HE2 HIS 125 HE2 HIS 125 -1.573 13.689 -3.286
Start of MODEL 6
1 H ALA 79 H1 ALA 79 1.833 0.917 -0.619
2 HA ALA 79 HA ALA 79 2.751 1.281 -3.405
3 HB1 ALA 79 HB1 ALA 79 0.596 2.844 -1.886
4 HB2 ALA 79 HB2 ALA 79 1.178 3.189 -3.528
5 HB3 ALA 79 HB3 ALA 79 0.306 1.687 -3.201
6 H ARG 80 H ARG 80 3.533 3.615 -3.731
7 HA ARG 80 HA ARG 80 5.786 4.100 -1.948
8 HB2 ARG 80 HB2 ARG 80 4.915 5.502 -4.452
9 HB3 ARG 80 HB3 ARG 80 6.413 5.774 -3.532
10 HG2 ARG 80 HG2 ARG 80 6.993 3.351 -3.754
11 HG3 ARG 80 HG3 ARG 80 5.580 3.139 -4.797
12 HD2 ARG 80 HD2 ARG 80 7.419 3.398 -6.244
13 HD3 ARG 80 HD3 ARG 80 6.500 4.918 -6.301
14 HE ARG 80 HE ARG 80 8.624 5.045 -4.345
15 HH11 ARG 80 HH11 ARG 80 8.193 5.199 -7.819
16 HH12 ARG 80 HH12 ARG 80 9.637 6.146 -8.054
17 HH21 ARG 80 HH21 ARG 80 10.455 6.269 -4.711
18 HH22 ARG 80 HH22 ARG 80 10.877 6.734 -6.334
19 H LYS 81 H LYS 81 3.338 4.563 -0.537
20 HA LYS 81 HA LYS 81 2.685 7.388 -0.268
21 HB2 LYS 81 HB2 LYS 81 2.120 4.879 1.379
22 HB3 LYS 81 HB3 LYS 81 1.647 6.490 1.950
23 HG2 LYS 81 HG2 LYS 81 0.303 6.866 -0.066
24 HG3 LYS 81 HG3 LYS 81 0.782 5.283 -0.714
25 HD2 LYS 81 HD2 LYS 81 -0.314 4.152 1.199
26 HD3 LYS 81 HD3 LYS 81 -0.760 5.730 1.885
27 HE2 LYS 81 HE2 LYS 81 -2.092 6.243 -0.151
28 HE3 LYS 81 HE3 LYS 81 -1.641 4.684 -0.848
29 HZ1 LYS 81 HZ1 LYS 81 -2.816 3.594 1.011
30 HZ2 LYS 81 HZ2 LYS 81 -3.233 5.040 1.651
31 HZ3 LYS 81 HZ3 LYS 81 -3.836 4.581 0.209
32 H VAL 82 H VAL 82 3.030 8.716 1.468
33 HA VAL 82 HA VAL 82 5.801 8.822 2.413
34 HB VAL 82 HB VAL 82 3.376 10.580 2.942
35 HG11 VAL 82 HG11 VAL 82 4.840 10.912 4.853
36 HG12 VAL 82 HG12 VAL 82 6.272 11.020 3.790
37 HG13 VAL 82 HG13 VAL 82 5.028 12.284 3.763
38 HG21 VAL 82 HG21 VAL 82 4.270 10.618 0.603
39 HG22 VAL 82 HG22 VAL 82 4.506 12.160 1.435
40 HG23 VAL 82 HG23 VAL 82 5.872 11.040 1.248
41 H LYS 83 H LYS 83 6.594 8.262 4.345
42 HA LYS 83 HA LYS 83 4.760 7.470 6.581
43 HB2 LYS 83 HB2 LYS 83 7.628 6.690 5.929
44 HB3 LYS 83 HB3 LYS 83 6.942 6.533 7.559
45 HG2 LYS 83 HG2 LYS 83 5.134 5.115 6.727
46 HG3 LYS 83 HG3 LYS 83 5.795 5.198 5.080
47 HD2 LYS 83 HD2 LYS 83 7.805 4.028 5.737
48 HD3 LYS 83 HD3 LYS 83 7.399 4.165 7.463
49 HE2 LYS 83 HE2 LYS 83 5.434 2.726 7.167
50 HE3 LYS 83 HE3 LYS 83 5.731 2.635 5.421
51 HZ1 LYS 83 HZ1 LYS 83 6.605 0.664 6.564
52 HZ2 LYS 83 HZ2 LYS 83 7.843 1.490 5.895
53 HZ3 LYS 83 HZ3 LYS 83 7.575 1.568 7.511
54 H GLN 84 H GLN 84 4.416 9.005 7.919
55 HA GLN 84 HA GLN 84 6.323 11.212 8.493
56 HB2 GLN 84 HB2 GLN 84 3.992 11.802 8.289
57 HB3 GLN 84 HB3 GLN 84 3.496 10.460 9.306
58 HG2 GLN 84 HG2 GLN 84 4.608 11.586 11.272
59 HG3 GLN 84 HG3 GLN 84 4.986 12.958 10.219
60 HE21 GLN 84 HE22 GLN 84 2.173 10.873 11.210
61 HE22 GLN 84 HE21 GLN 84 1.046 12.231 11.317
62 H TYR 85 H TYR 85 7.370 11.350 10.472
63 HA TYR 85 HA TYR 85 7.038 9.153 12.481
64 HB2 TYR 85 HB2 TYR 85 9.676 10.246 11.425
65 HB3 TYR 85 HB3 TYR 85 9.515 9.217 12.826
66 HD1 TYR 85 HD2 TYR 85 9.079 9.311 9.106
67 HD2 TYR 85 HD1 TYR 85 9.527 6.865 12.627
68 HE1 TYR 85 HE2 TYR 85 9.488 7.324 7.674
69 HE2 TYR 85 HE1 TYR 85 9.983 4.892 11.198
70 HH TYR 85 HH TYR 85 10.024 5.059 7.620
71 H LYS 86 H LYS 86 7.428 9.822 14.614
72 HA LYS 86 HA LYS 86 8.056 12.690 15.130
73 HB2 LYS 86 HB2 LYS 86 5.606 12.360 15.253
74 HB3 LYS 86 HB3 LYS 86 5.837 11.051 16.436
75 HG2 LYS 86 HG2 LYS 86 6.756 12.635 18.072
76 HG3 LYS 86 HG3 LYS 86 6.679 13.949 16.887
77 HD2 LYS 86 HD2 LYS 86 4.204 13.700 16.778
78 HD3 LYS 86 HD3 LYS 86 4.291 12.399 17.988
79 HE2 LYS 86 HE2 LYS 86 5.310 13.991 19.612
80 HE3 LYS 86 HE3 LYS 86 5.237 15.280 18.406
81 HZ1 LYS 86 HZ1 LYS 86 2.797 15.063 18.412
82 HZ2 LYS 86 HZ2 LYS 86 2.862 13.874 19.534
83 HZ3 LYS 86 HZ3 LYS 86 3.329 15.389 19.921
84 H ASN 87 H ASN 87 9.367 13.056 16.814
85 HA ASN 87 HA ASN 87 10.437 10.685 18.313
86 HB2 ASN 87 HB2 ASN 87 11.952 11.652 16.651
87 HB3 ASN 87 HB3 ASN 87 11.913 13.200 17.500
88 HD21 ASN 87 HD22 ASN 87 14.349 12.241 17.233
89 HD22 ASN 87 HD21 ASN 87 14.910 11.434 18.693
90 HA PRO 88 HA PRO 88 8.363 13.324 21.458
91 HB2 PRO 88 HB2 PRO 88 7.990 11.330 23.366
92 HB3 PRO 88 HB3 PRO 88 6.890 11.702 22.010
93 HG2 PRO 88 HG2 PRO 88 9.059 9.589 22.132
94 HG3 PRO 88 HG3 PRO 88 7.367 9.413 21.562
95 HD2 PRO 88 HD2 PRO 88 9.392 9.750 19.834
96 HD3 PRO 88 HD3 PRO 88 7.831 10.591 19.553
97 H HIS 89 H HIS 89 11.407 11.674 21.614
98 HA HIS 89 HA HIS 89 12.300 12.606 24.195
99 HB2 HIS 89 HB2 HIS 89 13.971 12.055 21.702
100 HB3 HIS 89 HB3 HIS 89 14.549 12.153 23.360
101 HD1 HIS 89 HD1 HIS 89 13.049 9.723 20.942
102 HD2 HIS 89 HD2 HIS 89 13.606 10.164 25.105
103 HE1 HIS 89 HE1 HIS 89 12.647 7.378 22.008
104 HE2 HIS 89 HE2 HIS 89 13.000 7.673 24.541
105 H THR 90 H THR 90 12.113 14.209 21.043
106 HA THR 90 HA THR 90 13.154 16.756 22.254
107 HB THR 90 HB THR 90 13.992 17.325 20.045
108 HG1 THR 90 HG1 THR 90 13.827 15.942 18.367
109 HG21 THR 90 HG21 THR 90 15.772 15.682 19.787
110 HG22 THR 90 HG22 THR 90 15.457 15.893 21.523
111 HG23 THR 90 HG23 THR 90 14.830 14.460 20.668
112 H GLY 91 H GLY 91 10.486 15.295 20.554
113 HA2 GLY 91 HA2 GLY 91 8.336 16.272 20.300
114 HA3 GLY 91 HA3 GLY 91 9.036 17.887 20.402
115 H GLU 92 H GLU 92 11.090 16.225 18.371
116 HA GLU 92 HA GLU 92 10.328 17.624 16.026
117 HB2 GLU 92 HB2 GLU 92 12.270 15.450 16.750
118 HB3 GLU 92 HB3 GLU 92 11.860 15.590 15.047
119 HG2 GLU 92 HG2 GLU 92 12.542 17.708 14.787
120 HG3 GLU 92 HG3 GLU 92 12.563 18.087 16.528
121 H VAL 93 H VAL 93 9.521 17.076 14.082
122 HA VAL 93 HA VAL 93 8.358 14.390 13.594
123 HB VAL 93 HB VAL 93 7.200 17.072 12.812
124 HG11 VAL 93 HG11 VAL 93 6.555 15.267 11.222
125 HG12 VAL 93 HG12 VAL 93 6.026 14.254 12.587
126 HG13 VAL 93 HG13 VAL 93 5.162 15.750 12.192
127 HG21 VAL 93 HG21 VAL 93 6.252 15.190 14.982
128 HG22 VAL 93 HG22 VAL 93 6.947 16.820 15.187
129 HG23 VAL 93 HG23 VAL 93 5.369 16.631 14.410
130 H ILE 94 H ILE 94 8.658 13.644 11.526
131 HA ILE 94 HA ILE 94 9.742 15.358 9.386
132 HB ILE 94 HB ILE 94 11.466 13.678 8.784
133 HG12 ILE 94 HG12 ILE 94 10.872 12.439 11.499
134 HG13 ILE 94 HG13 ILE 94 10.507 11.725 9.931
135 HG21 ILE 94 HG21 ILE 94 11.997 15.754 10.038
136 HG22 ILE 94 HG22 ILE 94 11.966 14.823 11.553
137 HG23 ILE 94 HG23 ILE 94 13.160 14.450 10.284
138 HD11 ILE 94 HD11 ILE 94 12.889 11.573 9.391
139 HD12 ILE 94 HD12 ILE 94 13.311 12.272 10.987
140 HD13 ILE 94 HD13 ILE 94 12.492 10.715 10.892
141 H GLU 95 H GLU 95 9.740 14.250 7.340
142 HA GLU 95 HA GLU 95 7.841 11.978 6.975
143 HB2 GLU 95 HB2 GLU 95 7.723 14.739 5.689
144 HB3 GLU 95 HB3 GLU 95 6.965 13.325 4.958
145 HG2 GLU 95 HG2 GLU 95 5.449 13.037 6.789
146 HG3 GLU 95 HG3 GLU 95 6.300 14.225 7.775
147 H THR 96 H THR 96 8.427 10.580 5.437
148 HA THR 96 HA THR 96 10.226 11.313 3.206
149 HB THR 96 HB THR 96 11.896 10.723 4.768
150 HG1 THR 96 HG1 THR 96 12.733 8.876 3.807
151 HG21 THR 96 HG21 THR 96 10.271 8.245 5.486
152 HG22 THR 96 HG22 THR 96 11.940 8.561 6.007
153 HG23 THR 96 HG23 THR 96 10.643 9.620 6.557
154 H LYS 97 H LYS 97 10.261 9.657 1.523
155 HA LYS 97 HA LYS 97 7.785 7.980 1.421
156 HB2 LYS 97 HB2 LYS 97 9.854 8.722 -0.690
157 HB3 LYS 97 HB3 LYS 97 8.487 7.627 -0.969
158 HG2 LYS 97 HG2 LYS 97 6.899 9.414 -0.336
159 HG3 LYS 97 HG3 LYS 97 8.251 10.541 -0.108
160 HD2 LYS 97 HD2 LYS 97 8.894 10.254 -2.497
161 HD3 LYS 97 HD3 LYS 97 7.516 9.145 -2.726
162 HE2 LYS 97 HE2 LYS 97 5.946 10.958 -2.075
163 HE3 LYS 97 HE3 LYS 97 7.309 12.058 -1.820
164 HZ1 LYS 97 HZ1 LYS 97 6.325 12.388 -4.019
165 HZ2 LYS 97 HZ2 LYS 97 7.852 11.839 -4.199
166 HZ3 LYS 97 HZ3 LYS 97 6.581 10.834 -4.436
167 H GLY 98 H GLY 98 10.831 7.511 2.626
168 HA2 GLY 98 HA2 GLY 98 11.155 5.328 3.670
169 HA3 GLY 98 HA3 GLY 98 10.683 4.540 2.168
170 H GLY 99 H GLY 99 12.687 7.144 1.360
171 HA2 GLY 99 HA2 GLY 99 14.932 5.442 0.643
172 HA3 GLY 99 HA3 GLY 99 14.806 7.184 0.430
173 H ASN 100 H ASN 100 17.200 6.490 1.045
174 HA ASN 100 HA ASN 100 17.892 6.213 3.823
175 HB2 ASN 100 HB2 ASN 100 19.352 5.491 1.980
176 HB3 ASN 100 HB3 ASN 100 19.496 7.159 1.412
177 HD21 ASN 100 HD22 ASN 100 21.827 6.983 1.655
178 HD22 ASN 100 HD21 ASN 100 22.540 7.097 3.255
179 H HIS 101 H HIS 101 16.580 7.783 4.856
180 HA HIS 101 HA HIS 101 17.194 10.664 4.453
181 HB2 HIS 101 HB2 HIS 101 14.856 9.751 4.437
182 HB3 HIS 101 HB3 HIS 101 15.023 9.353 6.143
183 HD1 HIS 101 HD1 HIS 101 14.704 11.458 7.811
184 HD2 HIS 101 HD2 HIS 101 14.845 12.366 3.699
185 HE1 HIS 101 HE1 HIS 101 14.256 13.995 7.620
186 HE2 HIS 101 HE2 HIS 101 14.265 14.520 5.090
187 H LYS 102 H LYS 102 19.150 10.966 5.395
188 HA LYS 102 HA LYS 102 20.492 9.862 7.459
189 HB2 LYS 102 HB2 LYS 102 21.034 11.714 5.740
190 HB3 LYS 102 HB3 LYS 102 20.592 12.861 6.988
191 HG2 LYS 102 HG2 LYS 102 22.726 10.686 7.312
192 HG3 LYS 102 HG3 LYS 102 23.046 12.296 6.662
193 HD2 LYS 102 HD2 LYS 102 22.159 13.294 8.795
194 HD3 LYS 102 HD3 LYS 102 22.084 11.643 9.462
195 HE2 LYS 102 HE2 LYS 102 24.431 11.350 9.350
196 HE3 LYS 102 HE3 LYS 102 24.648 12.687 8.214
197 HZ1 LYS 102 HZ1 LYS 102 25.307 13.226 10.552
198 HZ2 LYS 102 HZ2 LYS 102 24.198 14.260 9.946
199 HZ3 LYS 102 HZ3 LYS 102 23.726 13.120 11.014
200 H THR 103 H THR 103 18.281 12.616 8.145
201 HA THR 103 HA THR 103 18.619 12.642 10.940
202 HB THR 103 HB THR 103 16.044 13.226 9.410
203 HG1 THR 103 HG1 THR 103 16.946 15.342 9.278
204 HG21 THR 103 HG21 THR 103 15.696 13.318 11.853
205 HG22 THR 103 HG22 THR 103 17.107 14.394 12.021
206 HG23 THR 103 HG23 THR 103 15.652 14.933 11.143
207 H LEU 104 H LEU 104 16.529 10.457 9.062
208 HA LEU 104 HA LEU 104 15.146 9.341 11.418
209 HB2 LEU 104 HB2 LEU 104 14.171 9.358 9.066
210 HB3 LEU 104 HB3 LEU 104 15.466 8.263 8.568
211 HG LEU 104 HG LEU 104 14.600 6.593 10.277
212 HD11 LEU 104 HD11 LEU 104 12.208 8.489 10.332
213 HD12 LEU 104 HD12 LEU 104 12.281 6.874 11.042
214 HD13 LEU 104 HD13 LEU 104 13.289 8.163 11.715
215 HD21 LEU 104 HD21 LEU 104 12.639 7.467 8.125
216 HD22 LEU 104 HD22 LEU 104 14.069 6.440 7.866
217 HD23 LEU 104 HD23 LEU 104 12.742 5.858 8.880
218 H LYS 105 H LYS 105 17.902 8.446 9.261
219 HA LYS 105 HA LYS 105 18.577 5.996 10.472
220 HB2 LYS 105 HB2 LYS 105 19.537 7.215 8.363
221 HB3 LYS 105 HB3 LYS 105 20.697 7.934 9.519
222 HG2 LYS 105 HG2 LYS 105 21.393 5.661 10.218
223 HG3 LYS 105 HG3 LYS 105 20.218 4.952 9.093
224 HD2 LYS 105 HD2 LYS 105 21.414 5.987 7.184
225 HD3 LYS 105 HD3 LYS 105 22.591 6.711 8.308
226 HE2 LYS 105 HE2 LYS 105 23.236 4.434 9.090
227 HE3 LYS 105 HE3 LYS 105 22.069 3.715 7.972
228 HZ1 LYS 105 HZ1 LYS 105 23.347 4.678 6.120
229 HZ2 LYS 105 HZ2 LYS 105 24.434 5.339 7.152
230 HZ3 LYS 105 HZ3 LYS 105 24.306 3.716 7.026
231 H GLU 106 H GLU 106 19.720 9.266 11.380
232 HA GLU 106 HA GLU 106 21.200 8.459 13.623
233 HB2 GLU 106 HB2 GLU 106 19.767 11.011 12.883
234 HB3 GLU 106 HB3 GLU 106 20.344 10.817 14.547
235 HG2 GLU 106 HG2 GLU 106 22.595 10.246 13.709
236 HG3 GLU 106 HG3 GLU 106 22.012 10.504 12.041
237 H TRP 107 H TRP 107 17.696 9.182 13.461
238 HA TRP 107 HA TRP 107 17.211 8.704 16.239
239 HB2 TRP 107 HB2 TRP 107 15.311 8.385 13.883
240 HB3 TRP 107 HB3 TRP 107 14.847 8.393 15.572
241 HD1 TRP 107 HD1 TRP 107 17.343 11.042 15.287
242 HE1 TRP 107 HE1 TRP 107 16.286 13.348 15.019
243 HE3 TRP 107 HE3 TRP 107 12.561 9.617 14.092
244 HZ2 TRP 107 HZ2 TRP 107 13.743 14.445 14.351
245 HZ3 TRP 107 HZ3 TRP 107 10.817 11.345 13.697
246 HH2 TRP 107 HH2 TRP 107 11.402 13.777 13.824
247 H LYS 108 H LYS 108 17.211 6.420 13.487
248 HA LYS 108 HA LYS 108 16.365 4.073 14.979
249 HB2 LYS 108 HB2 LYS 108 18.070 4.304 12.451
250 HB3 LYS 108 HB3 LYS 108 17.368 2.792 13.084
251 HG2 LYS 108 HG2 LYS 108 15.087 3.775 12.820
252 HG3 LYS 108 HG3 LYS 108 15.784 5.223 12.148
253 HD2 LYS 108 HD2 LYS 108 15.510 4.290 10.127
254 HD3 LYS 108 HD3 LYS 108 16.929 3.300 10.508
255 HE2 LYS 108 HE2 LYS 108 15.378 1.610 11.557
256 HE3 LYS 108 HE3 LYS 108 14.001 2.602 11.062
257 HZ1 LYS 108 HZ1 LYS 108 15.921 1.251 9.216
258 HZ2 LYS 108 HZ2 LYS 108 14.349 0.840 9.483
259 HZ3 LYS 108 HZ3 LYS 108 14.711 2.244 8.717
260 H ALA 109 H ALA 109 19.563 5.492 14.373
261 HA ALA 109 HA ALA 109 21.039 3.412 15.739
262 HB1 ALA 109 HB1 ALA 109 21.765 6.321 15.144
263 HB2 ALA 109 HB2 ALA 109 22.897 5.031 15.591
264 HB3 ALA 109 HB3 ALA 109 22.013 4.938 14.053
265 H LYS 110 H LYS 110 19.675 6.518 16.811
266 HA LYS 110 HA LYS 110 20.859 6.399 19.472
267 HB2 LYS 110 HB2 LYS 110 18.805 8.219 18.178
268 HB3 LYS 110 HB3 LYS 110 19.377 8.441 19.836
269 HG2 LYS 110 HG2 LYS 110 21.660 8.791 19.110
270 HG3 LYS 110 HG3 LYS 110 21.263 8.352 17.448
271 HD2 LYS 110 HD2 LYS 110 19.620 10.313 17.424
272 HD3 LYS 110 HD3 LYS 110 20.337 10.814 18.972
273 HE2 LYS 110 HE2 LYS 110 22.599 10.835 17.834
274 HE3 LYS 110 HE3 LYS 110 21.801 10.431 16.309
275 HZ1 LYS 110 HZ1 LYS 110 20.448 12.578 16.771
276 HZ2 LYS 110 HZ2 LYS 110 21.643 12.970 17.822
277 HZ3 LYS 110 HZ3 LYS 110 21.968 12.731 16.219
278 H TRP 111 H TRP 111 17.624 5.622 18.275
279 HA TRP 111 HA TRP 111 16.828 4.777 21.044
280 HB2 TRP 111 HB2 TRP 111 15.207 6.202 18.906
281 HB3 TRP 111 HB3 TRP 111 14.551 5.587 20.417
282 HD1 TRP 111 HD1 TRP 111 15.836 6.537 22.724
283 HE1 TRP 111 HE1 TRP 111 16.675 8.893 23.279
284 HE3 TRP 111 HE3 TRP 111 15.940 8.492 18.007
285 HZ2 TRP 111 HZ2 TRP 111 17.490 11.260 21.843
286 HZ3 TRP 111 HZ3 TRP 111 16.861 10.780 17.616
287 HH2 TRP 111 HH2 TRP 111 17.622 12.167 19.522
288 H GLY 112 H GLY 112 17.386 3.436 18.049
289 HA2 GLY 112 HA2 GLY 112 17.324 1.091 17.850
290 HA3 GLY 112 HA3 GLY 112 15.855 0.990 18.797
291 HA PRO 113 HA PRO 113 15.107 1.864 14.068
292 HB2 PRO 113 HB2 PRO 113 15.410 -0.644 12.835
293 HB3 PRO 113 HB3 PRO 113 16.610 0.683 12.831
294 HG2 PRO 113 HG2 PRO 113 16.514 -1.719 14.619
295 HG3 PRO 113 HG3 PRO 113 17.932 -0.904 13.837
296 HD2 PRO 113 HD2 PRO 113 17.318 -0.547 16.448
297 HD3 PRO 113 HD3 PRO 113 17.968 0.778 15.427
298 H GLU 114 H GLU 114 14.274 -1.099 15.925
299 HA GLU 114 HA GLU 114 11.733 -1.499 14.675
300 HB2 GLU 114 HB2 GLU 114 12.834 -2.337 17.384
301 HB3 GLU 114 HB3 GLU 114 11.273 -2.878 16.742
302 HG2 GLU 114 HG2 GLU 114 12.437 -3.855 14.762
303 HG3 GLU 114 HG3 GLU 114 13.990 -3.381 15.450
304 H ALA 115 H ALA 115 12.729 0.329 17.536
305 HA ALA 115 HA ALA 115 10.091 1.149 18.396
306 HB1 ALA 115 HB1 ALA 115 12.073 1.239 19.854
307 HB2 ALA 115 HB2 ALA 115 12.824 2.444 18.793
308 HB3 ALA 115 HB3 ALA 115 11.346 2.858 19.683
309 H VAL 116 H VAL 116 12.602 2.783 16.388
310 HA VAL 116 HA VAL 116 11.020 5.066 15.749
311 HB VAL 116 HB VAL 116 13.367 3.795 14.321
312 HG11 VAL 116 HG11 VAL 116 12.119 6.553 13.921
313 HG12 VAL 116 HG12 VAL 116 13.687 6.033 13.261
314 HG13 VAL 116 HG13 VAL 116 12.198 5.245 12.720
315 HG21 VAL 116 HG21 VAL 116 14.648 5.560 15.418
316 HG22 VAL 116 HG22 VAL 116 13.194 6.210 16.175
317 HG23 VAL 116 HG23 VAL 116 13.822 4.637 16.663
318 H GLU 117 H GLU 117 11.314 1.927 13.946
319 HA GLU 117 HA GLU 117 9.508 2.798 11.845
320 HB2 GLU 117 HB2 GLU 117 10.439 0.070 12.805
321 HB3 GLU 117 HB3 GLU 117 9.250 0.276 11.507
322 HG2 GLU 117 HG2 GLU 117 10.789 1.606 10.184
323 HG3 GLU 117 HG3 GLU 117 11.988 1.595 11.465
324 H SER 118 H SER 118 8.954 1.701 15.132
325 HA SER 118 HA SER 118 6.066 1.295 14.755
326 HB2 SER 118 HB2 SER 118 7.534 1.719 17.363
327 HB3 SER 118 HB3 SER 118 5.883 1.150 17.098
328 HG SER 118 HG SER 118 8.290 -0.168 16.324
329 H TRP 119 H TRP 119 8.154 4.105 15.313
330 HA TRP 119 HA TRP 119 5.993 5.914 16.069
331 HB2 TRP 119 HB2 TRP 119 8.616 6.641 14.735
332 HB3 TRP 119 HB3 TRP 119 7.542 7.701 15.601
333 HD1 TRP 119 HD1 TRP 119 7.506 5.229 18.041
334 HE1 TRP 119 HE1 TRP 119 9.391 5.398 19.758
335 HE3 TRP 119 HE3 TRP 119 10.703 8.366 15.480
336 HZ2 TRP 119 HZ2 TRP 119 11.976 6.592 19.956
337 HZ3 TRP 119 HZ3 TRP 119 12.802 9.116 16.557
338 HH2 TRP 119 HH2 TRP 119 13.477 8.226 18.771
339 H ALA 120 H ALA 120 6.869 4.439 13.058
340 HA ALA 120 HA ALA 120 6.312 6.522 11.252
341 HB1 ALA 120 HB1 ALA 120 7.471 4.370 10.696
342 HB2 ALA 120 HB2 ALA 120 5.895 3.552 10.756
343 HB3 ALA 120 HB3 ALA 120 6.196 4.816 9.544
344 H THR 121 H THR 121 4.538 7.253 10.183
345 HA THR 121 HA THR 121 1.906 5.848 10.327
346 HB THR 121 HB THR 121 0.933 8.272 10.348
347 HG1 THR 121 HG1 THR 121 3.373 8.669 11.753
348 HG21 THR 121 HG21 THR 121 2.025 7.075 12.911
349 HG22 THR 121 HG22 THR 121 0.721 8.283 12.774
350 HG23 THR 121 HG23 THR 121 0.486 6.655 12.119
351 H LEU 122 H LEU 122 1.235 5.383 8.455
352 HA LEU 122 HA LEU 122 2.288 6.531 5.994
353 HB2 LEU 122 HB2 LEU 122 0.098 4.557 6.741
354 HB3 LEU 122 HB3 LEU 122 0.389 5.025 5.061
355 HG LEU 122 HG LEU 122 2.575 3.849 6.830
356 HD11 LEU 122 HD11 LEU 122 0.731 2.223 6.634
357 HD12 LEU 122 HD12 LEU 122 0.730 2.415 4.867
358 HD13 LEU 122 HD13 LEU 122 2.135 1.698 5.692
359 HD21 LEU 122 HD21 LEU 122 2.260 4.073 3.794
360 HD22 LEU 122 HD22 LEU 122 3.348 5.062 4.775
361 HD23 LEU 122 HD23 LEU 122 3.623 3.317 4.633
362 H LEU 123 H LEU 123 1.699 8.434 5.194
363 HA LEU 123 HA LEU 123 -0.814 9.742 5.998
364 HB2 LEU 123 HB2 LEU 123 1.298 10.620 3.983
365 HB3 LEU 123 HB3 LEU 123 0.007 11.610 4.647
366 HG LEU 123 HG LEU 123 2.466 10.563 6.108
367 HD11 LEU 123 HD11 LEU 123 2.913 12.949 6.427
368 HD12 LEU 123 HD12 LEU 123 2.697 12.601 4.701
369 HD13 LEU 123 HD13 LEU 123 1.393 13.373 5.615
370 HD21 LEU 123 HD21 LEU 123 0.015 11.991 7.249
371 HD22 LEU 123 HD22 LEU 123 0.644 10.392 7.726
372 HD23 LEU 123 HD23 LEU 123 1.569 11.846 8.091
373 H GLY 124 H GLY 124 -2.351 10.592 4.416
374 HA2 GLY 124 HA2 GLY 124 -2.512 9.400 1.727
375 HA3 GLY 124 HA3 GLY 124 -3.649 8.732 2.904
376 H HIS 125 H HIS 125 -2.602 12.135 2.697
377 HA HIS 125 HA HIS 125 -5.275 13.048 1.738
378 HB2 HIS 125 HB2 HIS 125 -3.985 14.182 4.217
379 HB3 HIS 125 HB3 HIS 125 -5.524 14.607 3.464
380 HD1 HIS 125 HD1 HIS 125 -7.254 12.192 3.375
381 HD2 HIS 125 HD2 HIS 125 -4.309 12.755 6.352
382 HE1 HIS 125 HE1 HIS 125 -7.925 10.683 5.355
383 HE2 HIS 125 HE2 HIS 125 -6.119 11.023 7.162
Start of MODEL 7
1 H ALA 79 H1 ALA 79 3.873 0.669 0.376
2 HA ALA 79 HA ALA 79 4.059 0.689 -2.576
3 HB1 ALA 79 HB1 ALA 79 1.968 2.022 -0.766
4 HB2 ALA 79 HB2 ALA 79 2.035 2.107 -2.539
5 HB3 ALA 79 HB3 ALA 79 1.703 0.568 -1.752
6 H ARG 80 H ARG 80 3.893 3.141 -3.297
7 HA ARG 80 HA ARG 80 6.367 4.410 -2.400
8 HB2 ARG 80 HB2 ARG 80 4.350 5.250 -4.485
9 HB3 ARG 80 HB3 ARG 80 5.941 5.981 -4.167
10 HG2 ARG 80 HG2 ARG 80 7.044 3.812 -4.564
11 HG3 ARG 80 HG3 ARG 80 5.488 3.087 -5.002
12 HD2 ARG 80 HD2 ARG 80 5.237 4.728 -6.847
13 HD3 ARG 80 HD3 ARG 80 6.811 5.437 -6.424
14 HE ARG 80 HE ARG 80 7.200 2.656 -6.842
15 HH11 ARG 80 HH11 ARG 80 6.360 5.434 -8.804
16 HH12 ARG 80 HH12 ARG 80 7.045 4.741 -10.247
17 HH21 ARG 80 HH21 ARG 80 8.051 1.823 -8.720
18 HH22 ARG 80 HH22 ARG 80 7.977 2.746 -10.192
19 H LYS 81 H LYS 81 3.328 4.672 -1.077
20 HA LYS 81 HA LYS 81 2.875 7.344 -0.461
21 HB2 LYS 81 HB2 LYS 81 2.392 4.790 1.136
22 HB3 LYS 81 HB3 LYS 81 1.856 6.385 1.706
23 HG2 LYS 81 HG2 LYS 81 0.510 6.714 -0.324
24 HG3 LYS 81 HG3 LYS 81 1.027 5.135 -0.949
25 HD2 LYS 81 HD2 LYS 81 -0.033 4.016 1.005
26 HD3 LYS 81 HD3 LYS 81 -0.541 5.597 1.632
27 HE2 LYS 81 HE2 LYS 81 -1.860 5.997 -0.439
28 HE3 LYS 81 HE3 LYS 81 -1.354 4.424 -1.069
29 HZ1 LYS 81 HZ1 LYS 81 -3.558 4.294 -0.038
30 HZ2 LYS 81 HZ2 LYS 81 -2.520 3.367 0.808
31 HZ3 LYS 81 HZ3 LYS 81 -2.984 4.819 1.396
32 H VAL 82 H VAL 82 3.216 8.643 1.284
33 HA VAL 82 HA VAL 82 5.965 8.741 2.308
34 HB VAL 82 HB VAL 82 3.511 10.485 2.756
35 HG11 VAL 82 HG11 VAL 82 5.112 12.206 3.633
36 HG12 VAL 82 HG12 VAL 82 4.895 10.834 4.721
37 HG13 VAL 82 HG13 VAL 82 6.368 10.957 3.711
38 HG21 VAL 82 HG21 VAL 82 4.684 12.079 1.296
39 HG22 VAL 82 HG22 VAL 82 6.064 10.972 1.152
40 HG23 VAL 82 HG23 VAL 82 4.485 10.546 0.450
41 H LYS 83 H LYS 83 6.672 8.366 4.347
42 HA LYS 83 HA LYS 83 4.731 7.550 6.487
43 HB2 LYS 83 HB2 LYS 83 7.617 6.726 5.966
44 HB3 LYS 83 HB3 LYS 83 6.862 6.592 7.567
45 HG2 LYS 83 HG2 LYS 83 5.098 5.162 6.689
46 HG3 LYS 83 HG3 LYS 83 5.789 5.248 5.057
47 HD2 LYS 83 HD2 LYS 83 7.792 4.091 5.748
48 HD3 LYS 83 HD3 LYS 83 7.372 4.242 7.467
49 HE2 LYS 83 HE2 LYS 83 5.451 2.767 7.207
50 HE3 LYS 83 HE3 LYS 83 5.696 2.676 5.450
51 HZ1 LYS 83 HZ1 LYS 83 7.618 1.637 7.490
52 HZ2 LYS 83 HZ2 LYS 83 6.619 0.720 6.580
53 HZ3 LYS 83 HZ3 LYS 83 7.826 1.549 5.866
54 H GLN 84 H GLN 84 4.437 9.021 7.937
55 HA GLN 84 HA GLN 84 6.390 11.200 8.484
56 HB2 GLN 84 HB2 GLN 84 3.948 11.690 8.224
57 HB3 GLN 84 HB3 GLN 84 3.594 10.611 9.569
58 HG2 GLN 84 HG2 GLN 84 4.902 12.107 11.089
59 HG3 GLN 84 HG3 GLN 84 5.267 13.167 9.722
60 HE21 GLN 84 HE22 GLN 84 3.462 14.489 8.784
61 HE22 GLN 84 HE21 GLN 84 2.008 14.679 9.756
62 H TYR 85 H TYR 85 7.367 11.356 10.505
63 HA TYR 85 HA TYR 85 7.026 9.146 12.493
64 HB2 TYR 85 HB2 TYR 85 9.679 10.237 11.469
65 HB3 TYR 85 HB3 TYR 85 9.493 9.183 12.848
66 HD1 TYR 85 HD2 TYR 85 9.042 9.331 9.121
67 HD2 TYR 85 HD1 TYR 85 9.558 6.848 12.609
68 HE1 TYR 85 HE2 TYR 85 9.428 7.353 7.660
69 HE2 TYR 85 HE1 TYR 85 9.997 4.885 11.161
70 HH TYR 85 HH TYR 85 10.142 4.100 8.969
71 H LYS 86 H LYS 86 7.402 9.826 14.629
72 HA LYS 86 HA LYS 86 8.045 12.699 15.134
73 HB2 LYS 86 HB2 LYS 86 5.594 12.366 15.240
74 HB3 LYS 86 HB3 LYS 86 5.820 11.061 16.425
75 HG2 LYS 86 HG2 LYS 86 6.708 12.637 18.068
76 HG3 LYS 86 HG3 LYS 86 6.666 13.953 16.885
77 HD2 LYS 86 HD2 LYS 86 4.190 13.732 16.733
78 HD3 LYS 86 HD3 LYS 86 4.245 12.433 17.947
79 HE2 LYS 86 HE2 LYS 86 5.258 14.014 19.583
80 HE3 LYS 86 HE3 LYS 86 5.214 15.302 18.373
81 HZ1 LYS 86 HZ1 LYS 86 2.810 13.924 19.477
82 HZ2 LYS 86 HZ2 LYS 86 3.295 15.435 19.866
83 HZ3 LYS 86 HZ3 LYS 86 2.772 15.111 18.354
84 H ASN 87 H ASN 87 9.273 13.076 16.927
85 HA ASN 87 HA ASN 87 10.366 10.664 18.361
86 HB2 ASN 87 HB2 ASN 87 11.861 11.657 16.686
87 HB3 ASN 87 HB3 ASN 87 11.844 13.185 17.570
88 HD21 ASN 87 HD22 ASN 87 14.257 12.110 17.163
89 HD22 ASN 87 HD21 ASN 87 14.858 11.327 18.620
90 HA PRO 88 HA PRO 88 8.287 12.942 21.798
91 HB2 PRO 88 HB2 PRO 88 9.217 10.314 22.974
92 HB3 PRO 88 HB3 PRO 88 7.727 11.241 23.349
93 HG2 PRO 88 HG2 PRO 88 7.613 9.142 21.642
94 HG3 PRO 88 HG3 PRO 88 6.746 10.660 21.247
95 HD2 PRO 88 HD2 PRO 88 9.359 9.636 20.154
96 HD3 PRO 88 HD3 PRO 88 8.033 10.515 19.324
97 H HIS 89 H HIS 89 11.581 11.627 21.643
98 HA HIS 89 HA HIS 89 12.528 12.650 24.159
99 HB2 HIS 89 HB2 HIS 89 14.136 12.073 21.632
100 HB3 HIS 89 HB3 HIS 89 14.761 12.206 23.268
101 HD1 HIS 89 HD1 HIS 89 13.156 9.732 20.946
102 HD2 HIS 89 HD2 HIS 89 13.945 10.222 25.068
103 HE1 HIS 89 HE1 HIS 89 12.822 7.396 22.059
104 HE2 HIS 89 HE2 HIS 89 13.307 7.726 24.563
105 H THR 90 H THR 90 12.187 14.209 21.011
106 HA THR 90 HA THR 90 13.268 16.771 22.148
107 HB THR 90 HB THR 90 14.066 17.303 19.922
108 HG1 THR 90 HG1 THR 90 13.854 15.894 18.267
109 HG21 THR 90 HG21 THR 90 15.555 15.869 21.377
110 HG22 THR 90 HG22 THR 90 14.902 14.433 20.547
111 HG23 THR 90 HG23 THR 90 15.831 15.639 19.639
112 H GLY 91 H GLY 91 10.544 15.277 20.601
113 HA2 GLY 91 HA2 GLY 91 8.404 16.212 20.307
114 HA3 GLY 91 HA3 GLY 91 9.071 17.842 20.432
115 H GLU 92 H GLU 92 11.115 16.183 18.351
116 HA GLU 92 HA GLU 92 10.329 17.608 16.023
117 HB2 GLU 92 HB2 GLU 92 12.278 15.423 16.690
118 HB3 GLU 92 HB3 GLU 92 11.849 15.605 15.003
119 HG2 GLU 92 HG2 GLU 92 12.527 17.716 14.773
120 HG3 GLU 92 HG3 GLU 92 12.583 18.065 16.522
121 H VAL 93 H VAL 93 9.546 17.046 14.064
122 HA VAL 93 HA VAL 93 8.399 14.358 13.583
123 HB VAL 93 HB VAL 93 7.239 17.031 12.773
124 HG11 VAL 93 HG11 VAL 93 6.642 15.223 11.172
125 HG12 VAL 93 HG12 VAL 93 6.067 14.219 12.525
126 HG13 VAL 93 HG13 VAL 93 5.226 15.723 12.098
127 HG21 VAL 93 HG21 VAL 93 6.951 16.797 15.133
128 HG22 VAL 93 HG22 VAL 93 5.385 16.570 14.342
129 HG23 VAL 93 HG23 VAL 93 6.284 15.153 14.946
130 H ILE 94 H ILE 94 8.739 13.594 11.532
131 HA ILE 94 HA ILE 94 9.844 15.301 9.397
132 HB ILE 94 HB ILE 94 11.566 13.623 8.808
133 HG12 ILE 94 HG12 ILE 94 10.946 12.361 11.503
134 HG13 ILE 94 HG13 ILE 94 10.610 11.660 9.923
135 HG21 ILE 94 HG21 ILE 94 12.089 15.691 10.073
136 HG22 ILE 94 HG22 ILE 94 12.041 14.758 11.584
137 HG23 ILE 94 HG23 ILE 94 13.251 14.389 10.334
138 HD11 ILE 94 HD11 ILE 94 13.376 12.198 11.057
139 HD12 ILE 94 HD12 ILE 94 12.575 10.632 10.870
140 HD13 ILE 94 HD13 ILE 94 13.016 11.557 9.424
141 H GLU 95 H GLU 95 9.816 14.233 7.347
142 HA GLU 95 HA GLU 95 7.970 11.925 6.998
143 HB2 GLU 95 HB2 GLU 95 7.680 14.708 5.808
144 HB3 GLU 95 HB3 GLU 95 6.981 13.281 5.024
145 HG2 GLU 95 HG2 GLU 95 5.603 12.786 6.927
146 HG3 GLU 95 HG3 GLU 95 6.388 14.034 7.898
147 H THR 96 H THR 96 8.529 10.558 5.437
148 HA THR 96 HA THR 96 10.259 11.342 3.172
149 HB THR 96 HB THR 96 11.974 10.817 4.705
150 HG1 THR 96 HG1 THR 96 12.890 9.062 3.691
151 HG21 THR 96 HG21 THR 96 12.139 8.643 5.910
152 HG22 THR 96 HG22 THR 96 10.812 9.648 6.513
153 HG23 THR 96 HG23 THR 96 10.463 8.269 5.439
154 H LYS 97 H LYS 97 10.334 9.689 1.495
155 HA LYS 97 HA LYS 97 7.918 7.936 1.385
156 HB2 LYS 97 HB2 LYS 97 10.048 8.654 -0.677
157 HB3 LYS 97 HB3 LYS 97 8.716 7.531 -0.974
158 HG2 LYS 97 HG2 LYS 97 7.070 9.307 -0.453
159 HG3 LYS 97 HG3 LYS 97 8.394 10.462 -0.214
160 HD2 LYS 97 HD2 LYS 97 9.130 10.110 -2.562
161 HD3 LYS 97 HD3 LYS 97 7.784 8.964 -2.804
162 HE2 LYS 97 HE2 LYS 97 6.157 10.767 -2.286
163 HE3 LYS 97 HE3 LYS 97 7.489 11.904 -2.017
164 HZ1 LYS 97 HZ1 LYS 97 6.580 12.137 -4.253
165 HZ2 LYS 97 HZ2 LYS 97 8.118 11.613 -4.364
166 HZ3 LYS 97 HZ3 LYS 97 6.886 10.571 -4.610
167 H GLY 98 H GLY 98 10.975 7.582 2.644
168 HA2 GLY 98 HA2 GLY 98 11.409 5.448 3.743
169 HA3 GLY 98 HA3 GLY 98 10.914 4.596 2.285
170 H GLY 99 H GLY 99 12.781 7.227 1.308
171 HA2 GLY 99 HA2 GLY 99 15.105 5.628 0.611
172 HA3 GLY 99 HA3 GLY 99 14.885 7.355 0.346
173 H ASN 100 H ASN 100 17.323 6.815 0.952
174 HA ASN 100 HA ASN 100 18.039 6.590 3.721
175 HB2 ASN 100 HB2 ASN 100 19.500 5.915 1.843
176 HB3 ASN 100 HB3 ASN 100 19.620 7.597 1.321
177 HD21 ASN 100 HD22 ASN 100 21.973 7.332 1.569
178 HD22 ASN 100 HD21 ASN 100 22.666 7.446 3.177
179 H HIS 101 H HIS 101 16.678 8.120 4.757
180 HA HIS 101 HA HIS 101 17.300 11.023 4.424
181 HB2 HIS 101 HB2 HIS 101 14.960 10.146 4.270
182 HB3 HIS 101 HB3 HIS 101 15.047 9.657 5.962
183 HD1 HIS 101 HD1 HIS 101 14.918 11.689 7.764
184 HD2 HIS 101 HD2 HIS 101 14.767 12.761 3.694
185 HE1 HIS 101 HE1 HIS 101 14.436 14.230 7.710
186 HE2 HIS 101 HE2 HIS 101 14.278 14.856 5.210
187 H LYS 102 H LYS 102 19.244 11.253 5.494
188 HA LYS 102 HA LYS 102 20.390 9.938 7.529
189 HB2 LYS 102 HB2 LYS 102 21.426 11.709 6.167
190 HB3 LYS 102 HB3 LYS 102 20.523 12.942 7.040
191 HG2 LYS 102 HG2 LYS 102 22.801 12.927 7.783
192 HG3 LYS 102 HG3 LYS 102 21.774 12.416 9.114
193 HD2 LYS 102 HD2 LYS 102 22.435 10.057 8.752
194 HD3 LYS 102 HD3 LYS 102 23.367 10.537 7.312
195 HE2 LYS 102 HE2 LYS 102 24.769 12.031 8.766
196 HE3 LYS 102 HE3 LYS 102 23.895 11.454 10.184
197 HZ1 LYS 102 HZ1 LYS 102 25.533 9.738 8.376
198 HZ2 LYS 102 HZ2 LYS 102 25.979 10.235 9.863
199 HZ3 LYS 102 HZ3 LYS 102 24.728 9.197 9.696
200 H THR 103 H THR 103 18.194 12.685 8.287
201 HA THR 103 HA THR 103 18.462 12.633 11.086
202 HB THR 103 HB THR 103 15.810 13.115 9.676
203 HG1 THR 103 HG1 THR 103 17.910 15.007 9.884
204 HG21 THR 103 HG21 THR 103 17.093 14.444 12.098
205 HG22 THR 103 HG22 THR 103 15.577 14.955 11.316
206 HG23 THR 103 HG23 THR 103 15.677 13.368 12.091
207 H LEU 104 H LEU 104 16.495 10.458 9.069
208 HA LEU 104 HA LEU 104 15.046 9.255 11.338
209 HB2 LEU 104 HB2 LEU 104 14.099 9.367 9.011
210 HB3 LEU 104 HB3 LEU 104 15.430 8.371 8.427
211 HG LEU 104 HG LEU 104 14.655 6.502 9.893
212 HD11 LEU 104 HD11 LEU 104 12.395 6.591 10.842
213 HD12 LEU 104 HD12 LEU 104 13.425 7.794 11.626
214 HD13 LEU 104 HD13 LEU 104 12.242 8.296 10.397
215 HD21 LEU 104 HD21 LEU 104 13.940 6.684 7.518
216 HD22 LEU 104 HD22 LEU 104 12.731 5.894 8.545
217 HD23 LEU 104 HD23 LEU 104 12.497 7.581 8.049
218 H LYS 105 H LYS 105 17.830 8.409 9.197
219 HA LYS 105 HA LYS 105 18.515 5.953 10.402
220 HB2 LYS 105 HB2 LYS 105 19.445 7.167 8.288
221 HB3 LYS 105 HB3 LYS 105 20.586 7.940 9.424
222 HG2 LYS 105 HG2 LYS 105 21.390 5.710 10.125
223 HG3 LYS 105 HG3 LYS 105 20.222 4.939 9.028
224 HD2 LYS 105 HD2 LYS 105 21.348 5.996 7.077
225 HD3 LYS 105 HD3 LYS 105 22.452 6.840 8.166
226 HE2 LYS 105 HE2 LYS 105 23.667 5.004 7.297
227 HE3 LYS 105 HE3 LYS 105 23.311 4.622 8.980
228 HZ1 LYS 105 HZ1 LYS 105 21.506 3.156 8.193
229 HZ2 LYS 105 HZ2 LYS 105 21.799 3.559 6.632
230 HZ3 LYS 105 HZ3 LYS 105 22.905 2.722 7.486
231 H GLU 106 H GLU 106 19.609 9.234 11.297
232 HA GLU 106 HA GLU 106 21.153 8.483 13.520
233 HB2 GLU 106 HB2 GLU 106 19.611 10.987 12.808
234 HB3 GLU 106 HB3 GLU 106 20.284 10.817 14.435
235 HG2 GLU 106 HG2 GLU 106 22.507 10.373 13.498
236 HG3 GLU 106 HG3 GLU 106 21.856 10.594 11.853
237 H TRP 107 H TRP 107 17.634 9.180 13.424
238 HA TRP 107 HA TRP 107 17.201 8.679 16.208
239 HB2 TRP 107 HB2 TRP 107 15.274 8.380 13.877
240 HB3 TRP 107 HB3 TRP 107 14.826 8.352 15.574
241 HD1 TRP 107 HD1 TRP 107 17.316 11.011 15.317
242 HE1 TRP 107 HE1 TRP 107 16.261 13.318 15.078
243 HE3 TRP 107 HE3 TRP 107 12.528 9.601 14.115
244 HZ2 TRP 107 HZ2 TRP 107 13.725 14.420 14.400
245 HZ3 TRP 107 HZ3 TRP 107 10.794 11.342 13.715
246 HH2 TRP 107 HH2 TRP 107 11.390 13.764 13.836
247 H LYS 108 H LYS 108 17.151 6.402 13.443
248 HA LYS 108 HA LYS 108 16.342 4.056 14.958
249 HB2 LYS 108 HB2 LYS 108 18.011 4.281 12.400
250 HB3 LYS 108 HB3 LYS 108 17.321 2.769 13.056
251 HG2 LYS 108 HG2 LYS 108 15.039 3.732 12.817
252 HG3 LYS 108 HG3 LYS 108 15.712 5.191 12.137
253 HD2 LYS 108 HD2 LYS 108 15.455 4.243 10.109
254 HD3 LYS 108 HD3 LYS 108 16.861 3.242 10.501
255 HE2 LYS 108 HE2 LYS 108 15.275 1.590 11.578
256 HE3 LYS 108 HE3 LYS 108 13.921 2.590 11.048
257 HZ1 LYS 108 HZ1 LYS 108 14.630 2.166 8.722
258 HZ2 LYS 108 HZ2 LYS 108 15.848 1.196 9.234
259 HZ3 LYS 108 HZ3 LYS 108 14.282 0.775 9.511
260 H ALA 109 H ALA 109 19.525 5.481 14.292
261 HA ALA 109 HA ALA 109 21.041 3.413 15.637
262 HB1 ALA 109 HB1 ALA 109 21.733 6.317 14.999
263 HB2 ALA 109 HB2 ALA 109 22.885 5.038 15.451
264 HB3 ALA 109 HB3 ALA 109 21.983 4.923 13.927
265 H LYS 110 H LYS 110 19.705 6.533 16.711
266 HA LYS 110 HA LYS 110 20.929 6.440 19.358
267 HB2 LYS 110 HB2 LYS 110 18.846 8.242 18.087
268 HB3 LYS 110 HB3 LYS 110 19.454 8.480 19.727
269 HG2 LYS 110 HG2 LYS 110 21.724 8.828 18.945
270 HG3 LYS 110 HG3 LYS 110 21.296 8.373 17.295
271 HD2 LYS 110 HD2 LYS 110 19.650 10.342 17.291
272 HD3 LYS 110 HD3 LYS 110 20.400 10.855 18.816
273 HE2 LYS 110 HE2 LYS 110 22.639 10.855 17.635
274 HE3 LYS 110 HE3 LYS 110 21.816 10.437 16.129
275 HZ1 LYS 110 HZ1 LYS 110 21.998 12.744 16.018
276 HZ2 LYS 110 HZ2 LYS 110 20.479 12.600 16.581
277 HZ3 LYS 110 HZ3 LYS 110 21.684 12.991 17.619
278 H TRP 111 H TRP 111 17.683 5.628 18.212
279 HA TRP 111 HA TRP 111 16.930 4.802 21.000
280 HB2 TRP 111 HB2 TRP 111 15.275 6.237 18.894
281 HB3 TRP 111 HB3 TRP 111 14.649 5.622 20.421
282 HD1 TRP 111 HD1 TRP 111 16.037 6.541 22.694
283 HE1 TRP 111 HE1 TRP 111 16.909 8.889 23.244
284 HE3 TRP 111 HE3 TRP 111 15.936 8.555 18.000
285 HZ2 TRP 111 HZ2 TRP 111 17.659 11.273 21.800
286 HZ3 TRP 111 HZ3 TRP 111 16.846 10.850 17.601
287 HH2 TRP 111 HH2 TRP 111 17.692 12.210 19.490
288 H GLY 112 H GLY 112 17.434 3.437 18.002
289 HA2 GLY 112 HA2 GLY 112 17.344 1.088 17.834
290 HA3 GLY 112 HA3 GLY 112 15.886 1.016 18.805
291 HA PRO 113 HA PRO 113 15.069 1.854 14.078
292 HB2 PRO 113 HB2 PRO 113 15.338 -0.666 12.864
293 HB3 PRO 113 HB3 PRO 113 16.535 0.653 12.823
294 HG2 PRO 113 HG2 PRO 113 16.469 -1.728 14.640
295 HG3 PRO 113 HG3 PRO 113 17.874 -0.927 13.820
296 HD2 PRO 113 HD2 PRO 113 17.312 -0.544 16.436
297 HD3 PRO 113 HD3 PRO 113 17.948 0.773 15.396
298 H GLU 114 H GLU 114 14.250 -1.085 15.976
299 HA GLU 114 HA GLU 114 11.700 -1.490 14.742
300 HB2 GLU 114 HB2 GLU 114 12.807 -2.318 17.454
301 HB3 GLU 114 HB3 GLU 114 11.252 -2.866 16.811
302 HG2 GLU 114 HG2 GLU 114 12.418 -3.854 14.843
303 HG3 GLU 114 HG3 GLU 114 13.972 -3.380 15.528
304 H ALA 115 H ALA 115 12.719 0.350 17.592
305 HA ALA 115 HA ALA 115 10.081 1.181 18.456
306 HB1 ALA 115 HB1 ALA 115 12.825 2.451 18.842
307 HB2 ALA 115 HB2 ALA 115 11.348 2.912 19.709
308 HB3 ALA 115 HB3 ALA 115 12.036 1.285 19.927
309 H VAL 116 H VAL 116 12.588 2.793 16.427
310 HA VAL 116 HA VAL 116 11.010 5.085 15.788
311 HB VAL 116 HB VAL 116 13.337 3.797 14.346
312 HG11 VAL 116 HG11 VAL 116 12.110 6.566 13.966
313 HG12 VAL 116 HG12 VAL 116 13.665 6.037 13.296
314 HG13 VAL 116 HG13 VAL 116 12.159 5.272 12.756
315 HG21 VAL 116 HG21 VAL 116 14.647 5.546 15.442
316 HG22 VAL 116 HG22 VAL 116 13.211 6.207 16.214
317 HG23 VAL 116 HG23 VAL 116 13.823 4.630 16.690
318 H GLU 117 H GLU 117 11.274 1.933 14.002
319 HA GLU 117 HA GLU 117 9.474 2.804 11.900
320 HB2 GLU 117 HB2 GLU 117 10.367 0.068 12.899
321 HB3 GLU 117 HB3 GLU 117 9.193 0.273 11.590
322 HG2 GLU 117 HG2 GLU 117 10.760 1.563 10.257
323 HG3 GLU 117 HG3 GLU 117 11.954 1.556 11.551
324 H SER 118 H SER 118 8.925 1.685 15.189
325 HA SER 118 HA SER 118 6.030 1.301 14.833
326 HB2 SER 118 HB2 SER 118 7.526 1.730 17.420
327 HB3 SER 118 HB3 SER 118 5.866 1.177 17.175
328 HG SER 118 HG SER 118 8.247 -0.174 16.391
329 H TRP 119 H TRP 119 8.136 4.111 15.361
330 HA TRP 119 HA TRP 119 5.976 5.922 16.123
331 HB2 TRP 119 HB2 TRP 119 8.601 6.636 14.788
332 HB3 TRP 119 HB3 TRP 119 7.515 7.706 15.635
333 HD1 TRP 119 HD1 TRP 119 7.450 5.287 18.104
334 HE1 TRP 119 HE1 TRP 119 9.313 5.477 19.843
335 HE3 TRP 119 HE3 TRP 119 10.704 8.348 15.522
336 HZ2 TRP 119 HZ2 TRP 119 11.925 6.628 20.036
337 HZ3 TRP 119 HZ3 TRP 119 12.807 9.080 16.607
338 HH2 TRP 119 HH2 TRP 119 13.451 8.215 18.833
339 H ALA 120 H ALA 120 6.835 4.436 13.115
340 HA ALA 120 HA ALA 120 6.294 6.547 11.331
341 HB1 ALA 120 HB1 ALA 120 5.904 3.581 10.767
342 HB2 ALA 120 HB2 ALA 120 6.236 4.873 9.594
343 HB3 ALA 120 HB3 ALA 120 7.479 4.406 10.773
344 H THR 121 H THR 121 4.528 7.284 10.256
345 HA THR 121 HA THR 121 1.949 5.771 10.230
346 HB THR 121 HB THR 121 0.917 8.188 10.186
347 HG1 THR 121 HG1 THR 121 1.958 9.573 11.665
348 HG21 THR 121 HG21 THR 121 1.791 6.930 12.808
349 HG22 THR 121 HG22 THR 121 0.433 8.056 12.568
350 HG23 THR 121 HG23 THR 121 0.374 6.448 11.837
351 H LEU 122 H LEU 122 1.411 5.279 8.328
352 HA LEU 122 HA LEU 122 2.426 6.467 5.900
353 HB2 LEU 122 HB2 LEU 122 0.125 4.616 6.622
354 HB3 LEU 122 HB3 LEU 122 0.437 5.090 4.951
355 HG LEU 122 HG LEU 122 2.535 3.741 6.707
356 HD11 LEU 122 HD11 LEU 122 0.587 2.247 6.498
357 HD12 LEU 122 HD12 LEU 122 0.595 2.458 4.735
358 HD13 LEU 122 HD13 LEU 122 1.953 1.637 5.549
359 HD21 LEU 122 HD21 LEU 122 3.558 3.163 4.514
360 HD22 LEU 122 HD22 LEU 122 2.253 4.014 3.670
361 HD23 LEU 122 HD23 LEU 122 3.402 4.919 4.672
362 H LEU 123 H LEU 123 1.717 8.198 4.788
363 HA LEU 123 HA LEU 123 -0.742 9.612 5.712
364 HB2 LEU 123 HB2 LEU 123 1.438 10.559 3.813
365 HB3 LEU 123 HB3 LEU 123 0.129 11.523 4.485
366 HG LEU 123 HG LEU 123 2.545 10.402 5.973
367 HD11 LEU 123 HD11 LEU 123 1.507 13.238 5.540
368 HD12 LEU 123 HD12 LEU 123 2.995 12.768 6.381
369 HD13 LEU 123 HD13 LEU 123 2.836 12.477 4.643
370 HD21 LEU 123 HD21 LEU 123 0.655 10.191 7.520
371 HD22 LEU 123 HD22 LEU 123 1.595 11.607 7.978
372 HD23 LEU 123 HD23 LEU 123 0.070 11.818 7.093
373 H GLY 124 H GLY 124 -2.174 10.546 4.074
374 HA2 GLY 124 HA2 GLY 124 -2.229 9.386 1.355
375 HA3 GLY 124 HA3 GLY 124 -3.485 8.819 2.461
376 H HIS 125 H HIS 125 -2.186 12.127 2.361
377 HA HIS 125 HA HIS 125 -4.730 13.430 2.259
378 HB2 HIS 125 HB2 HIS 125 -2.873 14.430 3.280
379 HB3 HIS 125 HB3 HIS 125 -1.942 14.457 1.767
380 HD1 HIS 125 HD1 HIS 125 -4.939 16.216 3.448
381 HD2 HIS 125 HD2 HIS 125 -2.426 16.446 0.062
382 HE1 HIS 125 HE1 HIS 125 -5.439 18.486 2.329
383 HE2 HIS 125 HE2 HIS 125 -3.905 18.616 0.261
Start of MODEL 8
1 H ALA 79 H1 ALA 79 3.066 0.331 -0.613
2 HA ALA 79 HA ALA 79 5.021 0.336 -2.828
3 HB1 ALA 79 HB1 ALA 79 2.702 0.504 -3.693
4 HB2 ALA 79 HB2 ALA 79 2.379 1.879 -2.619
5 HB3 ALA 79 HB3 ALA 79 3.566 2.025 -3.930
6 H ARG 80 H ARG 80 5.707 2.735 -3.271
7 HA ARG 80 HA ARG 80 7.116 3.643 -0.877
8 HB2 ARG 80 HB2 ARG 80 7.190 4.657 -3.719
9 HB3 ARG 80 HB3 ARG 80 8.249 5.137 -2.371
10 HG2 ARG 80 HG2 ARG 80 8.962 2.805 -2.056
11 HG3 ARG 80 HG3 ARG 80 8.019 2.319 -3.485
12 HD2 ARG 80 HD2 ARG 80 9.349 3.854 -4.894
13 HD3 ARG 80 HD3 ARG 80 10.311 4.323 -3.477
14 HE ARG 80 HE ARG 80 10.424 1.503 -3.677
15 HH11 ARG 80 HH11 ARG 80 11.588 4.229 -5.554
16 HH12 ARG 80 HH12 ARG 80 12.917 3.323 -6.220
17 HH21 ARG 80 HH21 ARG 80 12.150 0.409 -4.557
18 HH22 ARG 80 HH22 ARG 80 13.224 1.218 -5.661
19 H LYS 81 H LYS 81 4.486 4.063 -0.281
20 HA LYS 81 HA LYS 81 3.691 6.900 -0.517
21 HB2 LYS 81 HB2 LYS 81 2.741 4.456 1.012
22 HB3 LYS 81 HB3 LYS 81 2.364 6.044 1.673
23 HG2 LYS 81 HG2 LYS 81 0.519 5.318 0.345
24 HG3 LYS 81 HG3 LYS 81 1.269 6.725 -0.413
25 HD2 LYS 81 HD2 LYS 81 2.359 5.266 -2.103
26 HD3 LYS 81 HD3 LYS 81 1.753 3.838 -1.254
27 HE2 LYS 81 HE2 LYS 81 0.320 4.145 -3.124
28 HE3 LYS 81 HE3 LYS 81 -0.601 4.602 -1.692
29 HZ1 LYS 81 HZ1 LYS 81 -0.190 6.950 -2.252
30 HZ2 LYS 81 HZ2 LYS 81 0.714 6.525 -3.557
31 HZ3 LYS 81 HZ3 LYS 81 -0.880 6.197 -3.518
32 H VAL 82 H VAL 82 3.606 8.343 1.190
33 HA VAL 82 HA VAL 82 6.198 8.703 2.463
34 HB VAL 82 HB VAL 82 3.612 10.272 2.772
35 HG11 VAL 82 HG11 VAL 82 5.120 12.094 3.643
36 HG12 VAL 82 HG12 VAL 82 4.966 10.732 4.747
37 HG13 VAL 82 HG13 VAL 82 6.436 10.909 3.755
38 HG21 VAL 82 HG21 VAL 82 6.161 10.872 1.196
39 HG22 VAL 82 HG22 VAL 82 4.620 10.344 0.480
40 HG23 VAL 82 HG23 VAL 82 4.722 11.907 1.296
41 H LYS 83 H LYS 83 6.870 8.167 4.413
42 HA LYS 83 HA LYS 83 4.943 7.345 6.565
43 HB2 LYS 83 HB2 LYS 83 7.875 6.663 6.081
44 HB3 LYS 83 HB3 LYS 83 7.106 6.528 7.677
45 HG2 LYS 83 HG2 LYS 83 5.421 4.982 6.797
46 HG3 LYS 83 HG3 LYS 83 6.177 5.045 5.191
47 HD2 LYS 83 HD2 LYS 83 8.227 4.062 6.045
48 HD3 LYS 83 HD3 LYS 83 7.660 4.188 7.724
49 HE2 LYS 83 HE2 LYS 83 5.877 2.592 7.336
50 HE3 LYS 83 HE3 LYS 83 6.264 2.505 5.606
51 HZ1 LYS 83 HZ1 LYS 83 8.136 1.632 7.784
52 HZ2 LYS 83 HZ2 LYS 83 7.237 0.630 6.856
53 HZ3 LYS 83 HZ3 LYS 83 8.419 1.524 6.175
54 H GLN 84 H GLN 84 4.521 8.870 7.903
55 HA GLN 84 HA GLN 84 6.336 11.159 8.493
56 HB2 GLN 84 HB2 GLN 84 4.000 11.678 8.188
57 HB3 GLN 84 HB3 GLN 84 3.497 10.346 9.214
58 HG2 GLN 84 HG2 GLN 84 4.499 11.534 11.200
59 HG3 GLN 84 HG3 GLN 84 4.897 12.890 10.134
60 HE21 GLN 84 HE22 GLN 84 2.077 10.773 11.032
61 HE22 GLN 84 HE21 GLN 84 0.928 12.112 11.076
62 H TYR 85 H TYR 85 7.326 11.343 10.491
63 HA TYR 85 HA TYR 85 6.974 9.173 12.524
64 HB2 TYR 85 HB2 TYR 85 9.643 10.263 11.563
65 HB3 TYR 85 HB3 TYR 85 9.415 9.165 12.897
66 HD1 TYR 85 HD1 TYR 85 9.162 9.463 9.175
67 HD2 TYR 85 HD2 TYR 85 9.353 6.827 12.585
68 HE1 TYR 85 HE1 TYR 85 9.658 7.537 7.676
69 HE2 TYR 85 HE2 TYR 85 9.869 4.909 11.095
70 HH TYR 85 HH TYR 85 10.325 4.255 8.943
71 H LYS 86 H LYS 86 7.438 9.855 14.651
72 HA LYS 86 HA LYS 86 8.029 12.736 15.137
73 HB2 LYS 86 HB2 LYS 86 5.584 12.397 15.279
74 HB3 LYS 86 HB3 LYS 86 5.824 11.086 16.452
75 HG2 LYS 86 HG2 LYS 86 6.723 12.663 18.097
76 HG3 LYS 86 HG3 LYS 86 6.653 13.978 16.918
77 HD2 LYS 86 HD2 LYS 86 4.176 13.745 16.796
78 HD3 LYS 86 HD3 LYS 86 4.254 12.436 17.997
79 HE2 LYS 86 HE2 LYS 86 5.280 14.011 19.637
80 HE3 LYS 86 HE3 LYS 86 5.214 15.313 18.441
81 HZ1 LYS 86 HZ1 LYS 86 2.771 15.102 18.456
82 HZ2 LYS 86 HZ2 LYS 86 2.833 13.900 19.563
83 HZ3 LYS 86 HZ3 LYS 86 3.312 15.410 19.960
84 H ASN 87 H ASN 87 9.280 13.118 16.940
85 HA ASN 87 HA ASN 87 10.361 10.697 18.373
86 HB2 ASN 87 HB2 ASN 87 11.882 11.655 16.699
87 HB3 ASN 87 HB3 ASN 87 11.888 13.187 17.563
88 HD21 ASN 87 HD22 ASN 87 14.286 12.068 17.186
89 HD22 ASN 87 HD21 ASN 87 14.863 11.279 18.651
90 HA PRO 88 HA PRO 88 8.308 13.027 21.779
91 HB2 PRO 88 HB2 PRO 88 9.171 10.392 22.996
92 HB3 PRO 88 HB3 PRO 88 7.694 11.351 23.335
93 HG2 PRO 88 HG2 PRO 88 7.571 9.234 21.658
94 HG3 PRO 88 HG3 PRO 88 6.745 10.767 21.227
95 HD2 PRO 88 HD2 PRO 88 9.359 9.683 20.197
96 HD3 PRO 88 HD3 PRO 88 8.058 10.551 19.328
97 H HIS 89 H HIS 89 11.577 11.646 21.666
98 HA HIS 89 HA HIS 89 12.555 12.690 24.158
99 HB2 HIS 89 HB2 HIS 89 14.128 12.079 21.614
100 HB3 HIS 89 HB3 HIS 89 14.775 12.222 23.244
101 HD1 HIS 89 HD1 HIS 89 13.107 9.737 20.971
102 HD2 HIS 89 HD2 HIS 89 13.962 10.274 25.071
103 HE1 HIS 89 HE1 HIS 89 12.750 7.424 22.117
104 HE2 HIS 89 HE2 HIS 89 13.289 7.775 24.609
105 H THR 90 H THR 90 12.189 14.234 21.002
106 HA THR 90 HA THR 90 13.292 16.800 22.112
107 HB THR 90 HB THR 90 14.075 17.304 19.872
108 HG1 THR 90 HG1 THR 90 13.845 15.905 18.230
109 HG21 THR 90 HG21 THR 90 15.576 15.892 21.327
110 HG22 THR 90 HG22 THR 90 14.909 14.445 20.522
111 HG23 THR 90 HG23 THR 90 15.825 15.646 19.591
112 H GLY 91 H GLY 91 10.536 15.309 20.614
113 HA2 GLY 91 HA2 GLY 91 8.412 16.255 20.318
114 HA3 GLY 91 HA3 GLY 91 9.078 17.883 20.438
115 H GLU 92 H GLU 92 11.095 16.207 18.341
116 HA GLU 92 HA GLU 92 10.281 17.649 16.023
117 HB2 GLU 92 HB2 GLU 92 12.252 15.468 16.661
118 HB3 GLU 92 HB3 GLU 92 11.822 15.683 14.972
119 HG2 GLU 92 HG2 GLU 92 12.473 17.801 14.784
120 HG3 GLU 92 HG3 GLU 92 12.541 18.118 16.536
121 H VAL 93 H VAL 93 9.496 17.078 14.071
122 HA VAL 93 HA VAL 93 8.318 14.396 13.602
123 HB VAL 93 HB VAL 93 7.168 17.083 12.823
124 HG11 VAL 93 HG11 VAL 93 5.139 15.776 12.173
125 HG12 VAL 93 HG12 VAL 93 6.540 15.295 11.213
126 HG13 VAL 93 HG13 VAL 93 5.991 14.271 12.562
127 HG21 VAL 93 HG21 VAL 93 6.920 16.840 15.185
128 HG22 VAL 93 HG22 VAL 93 5.338 16.629 14.418
129 HG23 VAL 93 HG23 VAL 93 6.230 15.200 14.995
130 H ILE 94 H ILE 94 8.626 13.631 11.537
131 HA ILE 94 HA ILE 94 9.736 15.327 9.396
132 HB ILE 94 HB ILE 94 11.482 13.654 8.844
133 HG12 ILE 94 HG12 ILE 94 10.866 12.449 11.563
134 HG13 ILE 94 HG13 ILE 94 10.537 11.707 10.001
135 HG21 ILE 94 HG21 ILE 94 11.924 14.829 11.609
136 HG22 ILE 94 HG22 ILE 94 13.145 14.461 10.373
137 HG23 ILE 94 HG23 ILE 94 11.977 15.753 10.088
138 HD11 ILE 94 HD11 ILE 94 12.943 11.597 9.508
139 HD12 ILE 94 HD12 ILE 94 13.306 12.303 11.109
140 HD13 ILE 94 HD13 ILE 94 12.518 10.728 10.997
141 H GLU 95 H GLU 95 9.756 14.227 7.364
142 HA GLU 95 HA GLU 95 7.933 11.897 6.990
143 HB2 GLU 95 HB2 GLU 95 7.722 14.651 5.703
144 HB3 GLU 95 HB3 GLU 95 7.011 13.209 4.972
145 HG2 GLU 95 HG2 GLU 95 5.499 12.892 6.804
146 HG3 GLU 95 HG3 GLU 95 6.310 14.110 7.786
147 H THR 96 H THR 96 8.591 10.516 5.456
148 HA THR 96 HA THR 96 10.333 11.323 3.212
149 HB THR 96 HB THR 96 12.048 10.829 4.757
150 HG1 THR 96 HG1 THR 96 12.981 9.045 3.801
151 HG21 THR 96 HG21 THR 96 10.580 8.261 5.503
152 HG22 THR 96 HG22 THR 96 12.219 8.709 6.025
153 HG23 THR 96 HG23 THR 96 10.834 9.677 6.559
154 H LYS 97 H LYS 97 10.436 9.678 1.525
155 HA LYS 97 HA LYS 97 8.056 7.880 1.422
156 HB2 LYS 97 HB2 LYS 97 10.129 8.691 -0.660
157 HB3 LYS 97 HB3 LYS 97 8.820 7.529 -0.948
158 HG2 LYS 97 HG2 LYS 97 7.131 9.245 -0.387
159 HG3 LYS 97 HG3 LYS 97 8.410 10.423 -0.076
160 HD2 LYS 97 HD2 LYS 97 7.501 10.870 -2.240
161 HD3 LYS 97 HD3 LYS 97 9.139 10.244 -2.456
162 HE2 LYS 97 HE2 LYS 97 8.207 8.000 -3.018
163 HE3 LYS 97 HE3 LYS 97 6.570 8.601 -2.728
164 HZ1 LYS 97 HZ1 LYS 97 6.901 10.172 -4.593
165 HZ2 LYS 97 HZ2 LYS 97 8.408 9.603 -4.856
166 HZ3 LYS 97 HZ3 LYS 97 7.119 8.639 -5.105
167 H GLY 98 H GLY 98 11.096 7.542 2.681
168 HA2 GLY 98 HA2 GLY 98 11.549 5.389 3.718
169 HA3 GLY 98 HA3 GLY 98 11.094 4.568 2.230
170 H GLY 99 H GLY 99 12.936 7.267 1.378
171 HA2 GLY 99 HA2 GLY 99 15.271 5.709 0.639
172 HA3 GLY 99 HA3 GLY 99 15.034 7.435 0.417
173 H ASN 100 H ASN 100 17.474 6.911 1.007
174 HA ASN 100 HA ASN 100 18.195 6.667 3.781
175 HB2 ASN 100 HB2 ASN 100 19.679 6.033 1.915
176 HB3 ASN 100 HB3 ASN 100 19.765 7.720 1.391
177 HD21 ASN 100 HD22 ASN 100 22.125 7.449 1.646
178 HD22 ASN 100 HD21 ASN 100 22.813 7.605 3.256
179 H HIS 101 H HIS 101 16.805 8.150 4.819
180 HA HIS 101 HA HIS 101 17.349 11.066 4.515
181 HB2 HIS 101 HB2 HIS 101 15.024 10.135 4.349
182 HB3 HIS 101 HB3 HIS 101 15.124 9.623 6.028
183 HD1 HIS 101 HD1 HIS 101 14.815 11.602 7.848
184 HD2 HIS 101 HD2 HIS 101 14.857 12.775 3.802
185 HE1 HIS 101 HE1 HIS 101 14.273 14.131 7.831
186 HE2 HIS 101 HE2 HIS 101 14.230 14.814 5.335
187 H LYS 102 H LYS 102 19.260 11.364 5.564
188 HA LYS 102 HA LYS 102 20.522 10.103 7.560
189 HB2 LYS 102 HB2 LYS 102 21.355 12.003 6.180
190 HB3 LYS 102 HB3 LYS 102 20.456 13.136 7.176
191 HG2 LYS 102 HG2 LYS 102 22.740 13.226 7.800
192 HG3 LYS 102 HG3 LYS 102 21.862 12.505 9.147
193 HD2 LYS 102 HD2 LYS 102 22.723 10.270 8.575
194 HD3 LYS 102 HD3 LYS 102 23.337 10.879 7.032
195 HE2 LYS 102 HE2 LYS 102 25.253 10.729 8.382
196 HE3 LYS 102 HE3 LYS 102 24.864 12.441 8.307
197 HZ1 LYS 102 HZ1 LYS 102 23.774 12.166 10.561
198 HZ2 LYS 102 HZ2 LYS 102 24.302 10.609 10.588
199 HZ3 LYS 102 HZ3 LYS 102 25.373 11.836 10.571
200 H THR 103 H THR 103 18.264 12.772 8.397
201 HA THR 103 HA THR 103 18.551 12.637 11.195
202 HB THR 103 HB THR 103 16.009 13.282 9.636
203 HG1 THR 103 HG1 THR 103 16.881 15.416 9.678
204 HG21 THR 103 HG21 THR 103 16.960 14.287 12.352
205 HG22 THR 103 HG22 THR 103 15.535 14.873 11.459
206 HG23 THR 103 HG23 THR 103 15.569 13.215 12.056
207 H LEU 104 H LEU 104 16.549 10.532 9.135
208 HA LEU 104 HA LEU 104 15.129 9.290 11.404
209 HB2 LEU 104 HB2 LEU 104 14.175 9.439 9.046
210 HB3 LEU 104 HB3 LEU 104 15.464 8.356 8.508
211 HG LEU 104 HG LEU 104 14.567 6.664 10.241
212 HD11 LEU 104 HD11 LEU 104 13.190 8.221 11.592
213 HD12 LEU 104 HD12 LEU 104 12.161 8.528 10.176
214 HD13 LEU 104 HD13 LEU 104 12.223 6.917 10.893
215 HD21 LEU 104 HD21 LEU 104 12.677 7.445 8.001
216 HD22 LEU 104 HD22 LEU 104 14.158 6.478 7.798
217 HD23 LEU 104 HD23 LEU 104 12.821 5.854 8.776
218 H LYS 105 H LYS 105 17.892 8.491 9.205
219 HA LYS 105 HA LYS 105 18.571 6.000 10.326
220 HB2 LYS 105 HB2 LYS 105 19.512 7.285 8.260
221 HB3 LYS 105 HB3 LYS 105 20.669 7.990 9.429
222 HG2 LYS 105 HG2 LYS 105 21.427 5.713 10.039
223 HG3 LYS 105 HG3 LYS 105 20.243 5.016 8.908
224 HD2 LYS 105 HD2 LYS 105 21.367 6.237 7.034
225 HD3 LYS 105 HD3 LYS 105 22.604 6.818 8.149
226 HE2 LYS 105 HE2 LYS 105 21.992 3.872 7.564
227 HE3 LYS 105 HE3 LYS 105 23.244 4.815 6.755
228 HZ1 LYS 105 HZ1 LYS 105 23.212 4.213 9.675
229 HZ2 LYS 105 HZ2 LYS 105 24.201 3.550 8.563
230 HZ3 LYS 105 HZ3 LYS 105 24.343 5.131 8.919
231 H GLU 106 H GLU 106 19.661 9.241 11.312
232 HA GLU 106 HA GLU 106 21.184 8.423 13.532
233 HB2 GLU 106 HB2 GLU 106 19.725 10.971 12.817
234 HB3 GLU 106 HB3 GLU 106 20.352 10.781 14.463
235 HG2 GLU 106 HG2 GLU 106 22.582 10.322 13.642
236 HG3 GLU 106 HG3 GLU 106 22.002 10.357 11.957
237 H TRP 107 H TRP 107 17.682 9.209 13.428
238 HA TRP 107 HA TRP 107 17.205 8.650 16.183
239 HB2 TRP 107 HB2 TRP 107 15.311 8.404 13.816
240 HB3 TRP 107 HB3 TRP 107 14.828 8.329 15.496
241 HD1 TRP 107 HD1 TRP 107 17.322 11.003 15.345
242 HE1 TRP 107 HE1 TRP 107 16.253 13.313 15.186
243 HE3 TRP 107 HE3 TRP 107 12.541 9.612 14.097
244 HZ2 TRP 107 HZ2 TRP 107 13.714 14.428 14.542
245 HZ3 TRP 107 HZ3 TRP 107 10.798 11.357 13.750
246 HH2 TRP 107 HH2 TRP 107 11.383 13.781 13.964
247 H LYS 108 H LYS 108 17.175 6.414 13.386
248 HA LYS 108 HA LYS 108 16.312 4.061 14.852
249 HB2 LYS 108 HB2 LYS 108 17.975 4.325 12.297
250 HB3 LYS 108 HB3 LYS 108 17.274 2.799 12.915
251 HG2 LYS 108 HG2 LYS 108 14.995 3.697 12.654
252 HG3 LYS 108 HG3 LYS 108 15.615 5.246 12.175
253 HD2 LYS 108 HD2 LYS 108 15.311 4.526 10.070
254 HD3 LYS 108 HD3 LYS 108 16.852 3.703 10.278
255 HE2 LYS 108 HE2 LYS 108 15.593 1.662 11.047
256 HE3 LYS 108 HE3 LYS 108 14.068 2.528 10.791
257 HZ1 LYS 108 HZ1 LYS 108 16.051 1.889 8.640
258 HZ2 LYS 108 HZ2 LYS 108 14.632 1.116 8.868
259 HZ3 LYS 108 HZ3 LYS 108 14.632 2.680 8.406
260 H ALA 109 H ALA 109 19.526 5.433 14.223
261 HA ALA 109 HA ALA 109 20.987 3.328 15.567
262 HB1 ALA 109 HB1 ALA 109 21.743 6.221 14.962
263 HB2 ALA 109 HB2 ALA 109 22.866 4.919 15.410
264 HB3 ALA 109 HB3 ALA 109 21.969 4.838 13.879
265 H LYS 110 H LYS 110 19.689 6.462 16.650
266 HA LYS 110 HA LYS 110 20.902 6.353 19.296
267 HB2 LYS 110 HB2 LYS 110 18.832 8.155 18.001
268 HB3 LYS 110 HB3 LYS 110 19.391 8.389 19.664
269 HG2 LYS 110 HG2 LYS 110 21.665 8.755 18.966
270 HG3 LYS 110 HG3 LYS 110 21.320 8.291 17.300
271 HD2 LYS 110 HD2 LYS 110 19.742 10.258 17.119
272 HD3 LYS 110 HD3 LYS 110 20.242 10.745 18.756
273 HE2 LYS 110 HE2 LYS 110 22.623 10.800 17.946
274 HE3 LYS 110 HE3 LYS 110 22.063 10.446 16.300
275 HZ1 LYS 110 HZ1 LYS 110 22.387 12.830 16.619
276 HZ2 LYS 110 HZ2 LYS 110 20.805 12.563 16.372
277 HZ3 LYS 110 HZ3 LYS 110 21.359 12.880 17.884
278 H TRP 111 H TRP 111 17.665 5.529 18.136
279 HA TRP 111 HA TRP 111 16.917 4.666 20.913
280 HB2 TRP 111 HB2 TRP 111 15.253 6.094 18.809
281 HB3 TRP 111 HB3 TRP 111 14.619 5.439 20.311
282 HD1 TRP 111 HD1 TRP 111 15.917 6.341 22.625
283 HE1 TRP 111 HE1 TRP 111 16.739 8.686 23.247
284 HE3 TRP 111 HE3 TRP 111 15.952 8.434 17.970
285 HZ2 TRP 111 HZ2 TRP 111 17.527 11.098 21.868
286 HZ3 TRP 111 HZ3 TRP 111 16.855 10.743 17.641
287 HH2 TRP 111 HH2 TRP 111 17.625 12.076 19.577
288 H GLY 112 H GLY 112 17.421 3.368 17.870
289 HA2 GLY 112 HA2 GLY 112 17.368 1.028 17.607
290 HA3 GLY 112 HA3 GLY 112 15.935 0.886 18.615
291 HA PRO 113 HA PRO 113 14.996 1.909 13.947
292 HB2 PRO 113 HB2 PRO 113 15.184 -0.575 12.645
293 HB3 PRO 113 HB3 PRO 113 16.405 0.727 12.614
294 HG2 PRO 113 HG2 PRO 113 16.338 -1.712 14.359
295 HG3 PRO 113 HG3 PRO 113 17.738 -0.923 13.524
296 HD2 PRO 113 HD2 PRO 113 17.269 -0.589 16.166
297 HD3 PRO 113 HD3 PRO 113 17.884 0.745 15.139
298 H GLU 114 H GLU 114 14.195 -1.049 15.795
299 HA GLU 114 HA GLU 114 11.597 -1.437 14.663
300 HB2 GLU 114 HB2 GLU 114 12.805 -2.273 17.323
301 HB3 GLU 114 HB3 GLU 114 11.218 -2.808 16.746
302 HG2 GLU 114 HG2 GLU 114 12.307 -3.785 14.716
303 HG3 GLU 114 HG3 GLU 114 13.883 -3.332 15.355
304 H ALA 115 H ALA 115 12.741 0.398 17.474
305 HA ALA 115 HA ALA 115 10.141 1.239 18.432
306 HB1 ALA 115 HB1 ALA 115 12.163 1.300 19.834
307 HB2 ALA 115 HB2 ALA 115 12.904 2.493 18.747
308 HB3 ALA 115 HB3 ALA 115 11.465 2.931 19.684
309 H VAL 116 H VAL 116 12.594 2.819 16.316
310 HA VAL 116 HA VAL 116 11.021 5.137 15.752
311 HB VAL 116 HB VAL 116 13.254 3.844 14.158
312 HG11 VAL 116 HG11 VAL 116 13.539 6.113 13.149
313 HG12 VAL 116 HG12 VAL 116 12.012 5.353 12.674
314 HG13 VAL 116 HG13 VAL 116 12.020 6.628 13.915
315 HG21 VAL 116 HG21 VAL 116 13.906 4.615 16.476
316 HG22 VAL 116 HG22 VAL 116 14.612 5.608 15.209
317 HG23 VAL 116 HG23 VAL 116 13.219 6.194 16.118
318 H GLU 117 H GLU 117 11.118 1.975 13.963
319 HA GLU 117 HA GLU 117 9.209 2.907 11.984
320 HB2 GLU 117 HB2 GLU 117 10.066 0.146 12.934
321 HB3 GLU 117 HB3 GLU 117 8.778 0.353 11.751
322 HG2 GLU 117 HG2 GLU 117 11.636 1.344 11.419
323 HG3 GLU 117 HG3 GLU 117 10.941 -0.086 10.665
324 H SER 118 H SER 118 8.818 1.719 15.294
325 HA SER 118 HA SER 118 5.940 1.389 15.131
326 HB2 SER 118 HB2 SER 118 7.292 0.373 16.853
327 HB3 SER 118 HB3 SER 118 7.584 1.970 17.586
328 HG SER 118 HG SER 118 5.789 0.812 18.528
329 H TRP 119 H TRP 119 8.078 4.212 15.519
330 HA TRP 119 HA TRP 119 5.952 6.095 16.173
331 HB2 TRP 119 HB2 TRP 119 8.600 6.741 14.847
332 HB3 TRP 119 HB3 TRP 119 7.534 7.820 15.703
333 HD1 TRP 119 HD1 TRP 119 7.421 5.444 18.195
334 HE1 TRP 119 HE1 TRP 119 9.310 5.567 19.906
335 HE3 TRP 119 HE3 TRP 119 10.745 8.369 15.556
336 HZ2 TRP 119 HZ2 TRP 119 11.961 6.644 20.070
337 HZ3 TRP 119 HZ3 TRP 119 12.881 9.050 16.615
338 HH2 TRP 119 HH2 TRP 119 13.527 8.175 18.839
339 H ALA 120 H ALA 120 6.802 4.456 13.240
340 HA ALA 120 HA ALA 120 6.330 6.539 11.377
341 HB1 ALA 120 HB1 ALA 120 5.919 3.581 10.829
342 HB2 ALA 120 HB2 ALA 120 6.354 4.853 9.681
343 HB3 ALA 120 HB3 ALA 120 7.518 4.347 10.921
344 H THR 121 H THR 121 4.579 7.195 10.207
345 HA THR 121 HA THR 121 1.997 5.701 10.269
346 HB THR 121 HB THR 121 0.927 8.085 10.180
347 HG1 THR 121 HG1 THR 121 3.289 8.611 11.665
348 HG21 THR 121 HG21 THR 121 0.474 6.493 11.985
349 HG22 THR 121 HG22 THR 121 1.950 7.022 12.837
350 HG23 THR 121 HG23 THR 121 0.597 8.151 12.591
351 H LEU 122 H LEU 122 1.477 5.149 8.367
352 HA LEU 122 HA LEU 122 2.603 6.302 5.938
353 HB2 LEU 122 HB2 LEU 122 0.499 4.228 6.641
354 HB3 LEU 122 HB3 LEU 122 0.806 4.676 4.960
355 HG LEU 122 HG LEU 122 3.014 3.680 6.814
356 HD11 LEU 122 HD11 LEU 122 1.286 1.937 6.627
357 HD12 LEU 122 HD12 LEU 122 1.303 2.081 4.858
358 HD13 LEU 122 HD13 LEU 122 2.741 1.483 5.726
359 HD21 LEU 122 HD21 LEU 122 2.755 3.810 3.764
360 HD22 LEU 122 HD22 LEU 122 3.762 4.890 4.749
361 HD23 LEU 122 HD23 LEU 122 4.146 3.165 4.655
362 H LEU 123 H LEU 123 1.941 8.129 5.018
363 HA LEU 123 HA LEU 123 -0.640 9.356 5.737
364 HB2 LEU 123 HB2 LEU 123 1.487 10.291 3.768
365 HB3 LEU 123 HB3 LEU 123 0.136 11.234 4.391
366 HG LEU 123 HG LEU 123 2.588 10.298 5.935
367 HD11 LEU 123 HD11 LEU 123 2.797 12.323 4.504
368 HD12 LEU 123 HD12 LEU 123 1.443 13.064 5.379
369 HD13 LEU 123 HD13 LEU 123 2.954 12.686 6.229
370 HD21 LEU 123 HD21 LEU 123 1.592 11.554 7.873
371 HD22 LEU 123 HD22 LEU 123 0.061 11.656 6.986
372 HD23 LEU 123 HD23 LEU 123 0.719 10.075 7.486
373 H GLY 124 H GLY 124 -2.210 10.066 4.185
374 HA2 GLY 124 HA2 GLY 124 -2.303 8.927 1.473
375 HA3 GLY 124 HA3 GLY 124 -3.368 8.130 2.637
376 H HIS 125 H HIS 125 -2.603 11.625 2.509
377 HA HIS 125 HA HIS 125 -5.256 12.337 1.427
378 HB2 HIS 125 HB2 HIS 125 -5.773 12.043 3.689
379 HB3 HIS 125 HB3 HIS 125 -4.401 13.017 4.236
380 HD1 HIS 125 HD1 HIS 125 -4.654 15.724 3.853
381 HD2 HIS 125 HD2 HIS 125 -7.991 13.303 2.934
382 HE1 HIS 125 HE1 HIS 125 -6.679 17.322 3.641
383 HE2 HIS 125 HE2 HIS 125 -8.708 15.833 3.085
Start of MODEL 9
1 H ALA 79 H1 ALA 79 3.733 0.331 1.078
2 HA ALA 79 HA ALA 79 2.987 0.059 -1.774
3 HB1 ALA 79 HB1 ALA 79 1.460 1.475 0.474
4 HB2 ALA 79 HB2 ALA 79 0.993 1.421 -1.239
5 HB3 ALA 79 HB3 ALA 79 1.002 -0.064 -0.286
6 H ARG 80 H ARG 80 2.694 2.212 -2.852
7 HA ARG 80 HA ARG 80 5.110 3.852 -2.528
8 HB2 ARG 80 HB2 ARG 80 2.866 4.007 -4.543
9 HB3 ARG 80 HB3 ARG 80 4.381 4.940 -4.534
10 HG2 ARG 80 HG2 ARG 80 5.676 2.817 -4.538
11 HG3 ARG 80 HG3 ARG 80 4.180 1.903 -4.740
12 HD2 ARG 80 HD2 ARG 80 5.211 4.034 -6.658
13 HD3 ARG 80 HD3 ARG 80 5.415 2.285 -6.870
14 HE ARG 80 HE ARG 80 2.660 2.667 -6.559
15 HH11 ARG 80 HH11 ARG 80 5.050 3.681 -8.913
16 HH12 ARG 80 HH12 ARG 80 3.875 3.776 -10.202
17 HH21 ARG 80 HH21 ARG 80 1.212 2.822 -8.241
18 HH22 ARG 80 HH22 ARG 80 1.760 3.302 -9.821
19 H LYS 81 H LYS 81 4.340 4.416 -0.275
20 HA LYS 81 HA LYS 81 2.809 7.007 -0.225
21 HB2 LYS 81 HB2 LYS 81 2.439 4.540 1.540
22 HB3 LYS 81 HB3 LYS 81 1.841 6.143 1.988
23 HG2 LYS 81 HG2 LYS 81 0.468 6.231 -0.071
24 HG3 LYS 81 HG3 LYS 81 1.019 4.599 -0.508
25 HD2 LYS 81 HD2 LYS 81 0.015 3.688 1.563
26 HD3 LYS 81 HD3 LYS 81 -0.517 5.315 2.032
27 HE2 LYS 81 HE2 LYS 81 -1.886 5.473 -0.040
28 HE3 LYS 81 HE3 LYS 81 -1.362 3.858 -0.524
29 HZ1 LYS 81 HZ1 LYS 81 -3.536 3.800 0.567
30 HZ2 LYS 81 HZ2 LYS 81 -2.465 2.976 1.484
31 HZ3 LYS 81 HZ3 LYS 81 -2.949 4.478 1.926
32 H VAL 82 H VAL 82 3.202 8.355 1.483
33 HA VAL 82 HA VAL 82 6.009 8.497 2.360
34 HB VAL 82 HB VAL 82 3.574 10.263 2.835
35 HG11 VAL 82 HG11 VAL 82 6.458 10.778 3.697
36 HG12 VAL 82 HG12 VAL 82 5.187 12.011 3.619
37 HG13 VAL 82 HG13 VAL 82 5.016 10.673 4.745
38 HG21 VAL 82 HG21 VAL 82 4.700 11.803 1.287
39 HG22 VAL 82 HG22 VAL 82 6.077 10.695 1.144
40 HG23 VAL 82 HG23 VAL 82 4.482 10.232 0.504
41 H LYS 83 H LYS 83 6.809 8.067 4.360
42 HA LYS 83 HA LYS 83 4.935 7.304 6.583
43 HB2 LYS 83 HB2 LYS 83 7.839 6.576 6.041
44 HB3 LYS 83 HB3 LYS 83 7.118 6.482 7.659
45 HG2 LYS 83 HG2 LYS 83 5.363 4.964 6.835
46 HG3 LYS 83 HG3 LYS 83 6.099 4.981 5.218
47 HD2 LYS 83 HD2 LYS 83 8.126 3.945 6.051
48 HD3 LYS 83 HD3 LYS 83 7.609 4.132 7.736
49 HE2 LYS 83 HE2 LYS 83 5.770 2.578 7.437
50 HE3 LYS 83 HE3 LYS 83 6.104 2.442 5.703
51 HZ1 LYS 83 HZ1 LYS 83 8.240 1.415 6.224
52 HZ2 LYS 83 HZ2 LYS 83 8.028 1.577 7.837
53 HZ3 LYS 83 HZ3 LYS 83 7.067 0.567 6.976
54 H GLN 84 H GLN 84 4.542 8.847 7.904
55 HA GLN 84 HA GLN 84 6.389 11.116 8.449
56 HB2 GLN 84 HB2 GLN 84 4.051 11.666 8.151
57 HB3 GLN 84 HB3 GLN 84 3.544 10.359 9.204
58 HG2 GLN 84 HG2 GLN 84 4.588 11.567 11.153
59 HG3 GLN 84 HG3 GLN 84 4.994 12.900 10.058
60 HE21 GLN 84 HE22 GLN 84 2.148 10.850 11.031
61 HE22 GLN 84 HE21 GLN 84 1.019 12.209 11.041
62 H TYR 85 H TYR 85 7.386 11.319 10.454
63 HA TYR 85 HA TYR 85 7.023 9.165 12.502
64 HB2 TYR 85 HB2 TYR 85 9.697 10.235 11.514
65 HB3 TYR 85 HB3 TYR 85 9.474 9.144 12.858
66 HD1 TYR 85 HD2 TYR 85 9.211 9.435 9.136
67 HD2 TYR 85 HD1 TYR 85 9.353 6.794 12.542
68 HE1 TYR 85 HE2 TYR 85 9.660 7.507 7.632
69 HE2 TYR 85 HE1 TYR 85 9.847 4.874 11.047
70 HH TYR 85 HH TYR 85 10.300 4.219 8.898
71 H LYS 86 H LYS 86 7.454 9.855 14.619
72 HA LYS 86 HA LYS 86 8.128 12.727 15.099
73 HB2 LYS 86 HB2 LYS 86 5.675 12.429 15.262
74 HB3 LYS 86 HB3 LYS 86 5.903 11.124 16.440
75 HG2 LYS 86 HG2 LYS 86 6.862 12.667 18.066
76 HG3 LYS 86 HG3 LYS 86 6.843 13.990 16.889
77 HD2 LYS 86 HD2 LYS 86 4.364 13.861 16.794
78 HD3 LYS 86 HD3 LYS 86 4.391 12.545 17.989
79 HE2 LYS 86 HE2 LYS 86 5.502 14.063 19.621
80 HE3 LYS 86 HE3 LYS 86 5.479 15.372 18.434
81 HZ1 LYS 86 HZ1 LYS 86 3.035 15.278 18.468
82 HZ2 LYS 86 HZ2 LYS 86 3.047 14.061 19.564
83 HZ3 LYS 86 HZ3 LYS 86 3.593 15.540 19.977
84 H ASN 87 H ASN 87 9.536 13.049 16.733
85 HA ASN 87 HA ASN 87 10.444 10.647 18.301
86 HB2 ASN 87 HB2 ASN 87 12.079 11.550 16.708
87 HB3 ASN 87 HB3 ASN 87 12.090 13.081 17.578
88 HD21 ASN 87 HD22 ASN 87 14.464 11.725 17.304
89 HD22 ASN 87 HD21 ASN 87 14.900 10.981 18.839
90 HA PRO 88 HA PRO 88 8.328 13.368 21.338
91 HB2 PRO 88 HB2 PRO 88 7.872 11.447 23.289
92 HB3 PRO 88 HB3 PRO 88 6.835 11.747 21.868
93 HG2 PRO 88 HG2 PRO 88 9.015 9.663 22.168
94 HG3 PRO 88 HG3 PRO 88 7.351 9.443 21.540
95 HD2 PRO 88 HD2 PRO 88 9.442 9.738 19.873
96 HD3 PRO 88 HD3 PRO 88 7.884 10.538 19.504
97 H HIS 89 H HIS 89 11.314 11.631 21.640
98 HA HIS 89 HA HIS 89 12.136 12.642 24.229
99 HB2 HIS 89 HB2 HIS 89 13.916 11.744 21.925
100 HB3 HIS 89 HB3 HIS 89 14.323 11.801 23.636
101 HD1 HIS 89 HD1 HIS 89 12.729 9.562 21.075
102 HD2 HIS 89 HD2 HIS 89 12.955 9.979 25.276
103 HE1 HIS 89 HE1 HIS 89 11.823 7.340 22.098
104 HE2 HIS 89 HE2 HIS 89 12.007 7.610 24.649
105 H THR 90 H THR 90 12.121 14.054 21.015
106 HA THR 90 HA THR 90 13.577 16.481 22.014
107 HB THR 90 HB THR 90 14.377 16.783 19.734
108 HG1 THR 90 HG1 THR 90 13.907 15.230 18.182
109 HG21 THR 90 HG21 THR 90 15.865 14.875 19.492
110 HG22 THR 90 HG22 THR 90 15.690 15.224 21.223
111 HG23 THR 90 HG23 THR 90 14.804 13.861 20.495
112 H GLY 91 H GLY 91 10.712 15.306 20.379
113 HA2 GLY 91 HA2 GLY 91 8.663 16.506 20.261
114 HA3 GLY 91 HA3 GLY 91 9.537 18.042 20.292
115 H GLU 92 H GLU 92 11.327 16.249 18.163
116 HA GLU 92 HA GLU 92 10.404 17.693 15.883
117 HB2 GLU 92 HB2 GLU 92 12.509 15.639 16.480
118 HB3 GLU 92 HB3 GLU 92 11.983 15.759 14.802
119 HG2 GLU 92 HG2 GLU 92 12.409 17.989 14.606
120 HG3 GLU 92 HG3 GLU 92 12.745 18.204 16.352
121 H VAL 93 H VAL 93 9.529 17.113 13.978
122 HA VAL 93 HA VAL 93 8.420 14.395 13.556
123 HB VAL 93 HB VAL 93 7.194 17.057 12.780
124 HG11 VAL 93 HG11 VAL 93 5.181 15.722 12.176
125 HG12 VAL 93 HG12 VAL 93 6.569 15.242 11.199
126 HG13 VAL 93 HG13 VAL 93 6.061 14.226 12.569
127 HG21 VAL 93 HG21 VAL 93 5.412 16.578 14.418
128 HG22 VAL 93 HG22 VAL 93 6.340 15.163 14.982
129 HG23 VAL 93 HG23 VAL 93 7.000 16.809 15.155
130 H ILE 94 H ILE 94 8.706 13.615 11.497
131 HA ILE 94 HA ILE 94 9.752 15.314 9.321
132 HB ILE 94 HB ILE 94 11.523 13.666 8.766
133 HG12 ILE 94 HG12 ILE 94 10.953 12.469 11.500
134 HG13 ILE 94 HG13 ILE 94 10.599 11.706 9.947
135 HG21 ILE 94 HG21 ILE 94 13.177 14.517 10.288
136 HG22 ILE 94 HG22 ILE 94 11.978 15.780 10.001
137 HG23 ILE 94 HG23 ILE 94 11.957 14.867 11.528
138 HD11 ILE 94 HD11 ILE 94 13.382 12.345 11.006
139 HD12 ILE 94 HD12 ILE 94 12.612 10.762 10.899
140 HD13 ILE 94 HD13 ILE 94 13.001 11.636 9.406
141 H GLU 95 H GLU 95 9.758 14.203 7.303
142 HA GLU 95 HA GLU 95 7.926 11.874 6.952
143 HB2 GLU 95 HB2 GLU 95 7.723 14.622 5.641
144 HB3 GLU 95 HB3 GLU 95 6.985 13.175 4.948
145 HG2 GLU 95 HG2 GLU 95 5.496 12.912 6.794
146 HG3 GLU 95 HG3 GLU 95 6.342 14.133 7.754
147 H THR 96 H THR 96 8.563 10.477 5.450
148 HA THR 96 HA THR 96 10.282 11.263 3.180
149 HB THR 96 HB THR 96 12.011 10.809 4.726
150 HG1 THR 96 HG1 THR 96 12.974 9.051 3.770
151 HG21 THR 96 HG21 THR 96 10.822 9.643 6.531
152 HG22 THR 96 HG22 THR 96 10.578 8.228 5.478
153 HG23 THR 96 HG23 THR 96 12.217 8.694 5.993
154 H LYS 97 H LYS 97 10.436 9.581 1.541
155 HA LYS 97 HA LYS 97 8.062 7.760 1.444
156 HB2 LYS 97 HB2 LYS 97 10.134 8.595 -0.631
157 HB3 LYS 97 HB3 LYS 97 8.855 7.406 -0.927
158 HG2 LYS 97 HG2 LYS 97 7.112 9.061 -0.458
159 HG3 LYS 97 HG3 LYS 97 8.325 10.273 -0.038
160 HD2 LYS 97 HD2 LYS 97 7.514 10.736 -2.259
161 HD3 LYS 97 HD3 LYS 97 9.208 10.232 -2.352
162 HE2 LYS 97 HE2 LYS 97 8.484 7.946 -3.037
163 HE3 LYS 97 HE3 LYS 97 6.791 8.442 -2.909
164 HZ1 LYS 97 HZ1 LYS 97 7.197 10.075 -4.682
165 HZ2 LYS 97 HZ2 LYS 97 8.767 9.621 -4.805
166 HZ3 LYS 97 HZ3 LYS 97 7.576 8.582 -5.208
167 H GLY 98 H GLY 98 11.118 7.514 2.702
168 HA2 GLY 98 HA2 GLY 98 11.636 5.383 3.768
169 HA3 GLY 98 HA3 GLY 98 11.204 4.536 2.287
170 H GLY 99 H GLY 99 12.975 7.305 1.434
171 HA2 GLY 99 HA2 GLY 99 15.348 5.802 0.676
172 HA3 GLY 99 HA3 GLY 99 15.061 7.523 0.453
173 H ASN 100 H ASN 100 17.515 7.059 1.034
174 HA ASN 100 HA ASN 100 18.269 6.823 3.799
175 HB2 ASN 100 HB2 ASN 100 19.744 6.234 1.908
176 HB3 ASN 100 HB3 ASN 100 19.773 7.919 1.386
177 HD21 ASN 100 HD22 ASN 100 22.119 7.892 1.606
178 HD22 ASN 100 HD21 ASN 100 22.830 7.996 3.208
179 H HIS 101 H HIS 101 16.840 8.282 4.855
180 HA HIS 101 HA HIS 101 17.372 11.210 4.576
181 HB2 HIS 101 HB2 HIS 101 15.061 10.265 4.367
182 HB3 HIS 101 HB3 HIS 101 15.129 9.759 6.055
183 HD1 HIS 101 HD1 HIS 101 14.966 11.792 7.875
184 HD2 HIS 101 HD2 HIS 101 14.748 12.863 3.806
185 HE1 HIS 101 HE1 HIS 101 14.414 14.319 7.829
186 HE2 HIS 101 HE2 HIS 101 14.196 14.937 5.331
187 H LYS 102 H LYS 102 19.275 11.493 5.682
188 HA LYS 102 HA LYS 102 20.441 10.178 7.723
189 HB2 LYS 102 HB2 LYS 102 21.447 11.997 6.407
190 HB3 LYS 102 HB3 LYS 102 20.479 13.190 7.258
191 HG2 LYS 102 HG2 LYS 102 22.737 13.250 8.070
192 HG3 LYS 102 HG3 LYS 102 21.694 12.684 9.367
193 HD2 LYS 102 HD2 LYS 102 22.452 10.355 8.994
194 HD3 LYS 102 HD3 LYS 102 23.417 10.891 7.594
195 HE2 LYS 102 HE2 LYS 102 24.702 12.419 9.112
196 HE3 LYS 102 HE3 LYS 102 23.782 11.813 10.489
197 HZ1 LYS 102 HZ1 LYS 102 25.565 10.159 8.763
198 HZ2 LYS 102 HZ2 LYS 102 25.920 10.672 10.265
199 HZ3 LYS 102 HZ3 LYS 102 24.719 9.590 10.050
200 H THR 103 H THR 103 18.157 12.856 8.477
201 HA THR 103 HA THR 103 18.381 12.745 11.282
202 HB THR 103 HB THR 103 15.758 13.228 9.823
203 HG1 THR 103 HG1 THR 103 17.829 15.133 10.103
204 HG21 THR 103 HG21 THR 103 16.961 14.562 12.282
205 HG22 THR 103 HG22 THR 103 15.443 15.027 11.472
206 HG23 THR 103 HG23 THR 103 15.583 13.442 12.248
207 H LEU 104 H LEU 104 16.497 10.582 9.186
208 HA LEU 104 HA LEU 104 15.053 9.309 11.419
209 HB2 LEU 104 HB2 LEU 104 14.147 9.459 9.033
210 HB3 LEU 104 HB3 LEU 104 15.457 8.401 8.518
211 HG LEU 104 HG LEU 104 14.567 6.676 10.200
212 HD11 LEU 104 HD11 LEU 104 13.176 8.182 11.585
213 HD12 LEU 104 HD12 LEU 104 12.153 8.535 10.172
214 HD13 LEU 104 HD13 LEU 104 12.212 6.902 10.845
215 HD21 LEU 104 HD21 LEU 104 12.663 7.479 7.979
216 HD22 LEU 104 HD22 LEU 104 14.161 6.541 7.751
217 HD23 LEU 104 HD23 LEU 104 12.837 5.874 8.721
218 H LYS 105 H LYS 105 17.866 8.575 9.270
219 HA LYS 105 HA LYS 105 18.565 6.092 10.397
220 HB2 LYS 105 HB2 LYS 105 19.520 7.381 8.336
221 HB3 LYS 105 HB3 LYS 105 20.652 8.104 9.519
222 HG2 LYS 105 HG2 LYS 105 21.427 5.849 10.156
223 HG3 LYS 105 HG3 LYS 105 20.245 5.115 9.045
224 HD2 LYS 105 HD2 LYS 105 21.377 6.187 7.117
225 HD3 LYS 105 HD3 LYS 105 22.566 6.924 8.220
226 HE2 LYS 105 HE2 LYS 105 23.264 4.655 8.971
227 HE3 LYS 105 HE3 LYS 105 22.074 3.927 7.890
228 HZ1 LYS 105 HZ1 LYS 105 24.402 5.563 6.994
229 HZ2 LYS 105 HZ2 LYS 105 24.272 3.942 6.861
230 HZ3 LYS 105 HZ3 LYS 105 23.282 4.905 5.994
231 H GLU 106 H GLU 106 19.604 9.352 11.412
232 HA GLU 106 HA GLU 106 21.151 8.569 13.622
233 HB2 GLU 106 HB2 GLU 106 19.519 11.032 12.950
234 HB3 GLU 106 HB3 GLU 106 20.136 10.852 14.590
235 HG2 GLU 106 HG2 GLU 106 22.419 10.501 13.684
236 HG3 GLU 106 HG3 GLU 106 21.784 10.796 12.044
237 H TRP 107 H TRP 107 17.619 9.130 13.500
238 HA TRP 107 HA TRP 107 17.213 8.545 16.271
239 HB2 TRP 107 HB2 TRP 107 15.266 8.373 13.948
240 HB3 TRP 107 HB3 TRP 107 14.832 8.262 15.642
241 HD1 TRP 107 HD1 TRP 107 17.296 10.882 15.709
242 HE1 TRP 107 HE1 TRP 107 16.299 13.221 15.510
243 HE3 TRP 107 HE3 TRP 107 12.598 9.642 14.018
244 HZ2 TRP 107 HZ2 TRP 107 13.854 14.414 14.689
245 HZ3 TRP 107 HZ3 TRP 107 10.935 11.439 13.601
246 HH2 TRP 107 HH2 TRP 107 11.563 13.843 13.905
247 H LYS 108 H LYS 108 17.137 6.401 13.404
248 HA LYS 108 HA LYS 108 16.337 4.004 14.831
249 HB2 LYS 108 HB2 LYS 108 18.002 4.325 12.289
250 HB3 LYS 108 HB3 LYS 108 17.303 2.789 12.871
251 HG2 LYS 108 HG2 LYS 108 15.020 3.689 12.604
252 HG3 LYS 108 HG3 LYS 108 15.650 5.247 12.145
253 HD2 LYS 108 HD2 LYS 108 15.363 4.543 10.028
254 HD3 LYS 108 HD3 LYS 108 16.902 3.711 10.250
255 HE2 LYS 108 HE2 LYS 108 15.624 1.668 10.987
256 HE3 LYS 108 HE3 LYS 108 14.107 2.550 10.720
257 HZ1 LYS 108 HZ1 LYS 108 14.694 1.139 8.804
258 HZ2 LYS 108 HZ2 LYS 108 14.696 2.703 8.346
259 HZ3 LYS 108 HZ3 LYS 108 16.113 1.913 8.590
260 H ALA 109 H ALA 109 19.503 5.483 14.230
261 HA ALA 109 HA ALA 109 21.050 3.386 15.479
262 HB1 ALA 109 HB1 ALA 109 21.955 5.028 13.862
263 HB2 ALA 109 HB2 ALA 109 21.689 6.339 15.034
264 HB3 ALA 109 HB3 ALA 109 22.862 5.048 15.385
265 H LYS 110 H LYS 110 19.585 6.376 16.725
266 HA LYS 110 HA LYS 110 20.812 5.976 19.389
267 HB2 LYS 110 HB2 LYS 110 19.372 8.320 18.111
268 HB3 LYS 110 HB3 LYS 110 19.885 8.300 19.802
269 HG2 LYS 110 HG2 LYS 110 22.205 7.796 19.127
270 HG3 LYS 110 HG3 LYS 110 21.769 7.868 17.427
271 HD2 LYS 110 HD2 LYS 110 21.381 10.228 19.317
272 HD3 LYS 110 HD3 LYS 110 22.913 9.897 18.500
273 HE2 LYS 110 HE2 LYS 110 21.746 9.994 16.282
274 HE3 LYS 110 HE3 LYS 110 20.244 10.430 17.119
275 HZ1 LYS 110 HZ1 LYS 110 21.273 12.479 17.853
276 HZ2 LYS 110 HZ2 LYS 110 22.759 12.022 17.343
277 HZ3 LYS 110 HZ3 LYS 110 21.613 12.373 16.244
278 H TRP 111 H TRP 111 17.621 5.423 18.147
279 HA TRP 111 HA TRP 111 16.800 4.655 20.932
280 HB2 TRP 111 HB2 TRP 111 15.152 6.021 18.777
281 HB3 TRP 111 HB3 TRP 111 14.456 5.241 20.189
282 HD1 TRP 111 HD1 TRP 111 15.016 6.237 22.616
283 HE1 TRP 111 HE1 TRP 111 15.691 8.577 23.421
284 HE3 TRP 111 HE3 TRP 111 16.366 8.243 18.145
285 HZ2 TRP 111 HZ2 TRP 111 16.764 11.008 22.259
286 HZ3 TRP 111 HZ3 TRP 111 17.300 10.566 18.012
287 HH2 TRP 111 HH2 TRP 111 17.476 11.953 20.058
288 H GLY 112 H GLY 112 17.372 3.421 17.836
289 HA2 GLY 112 HA2 GLY 112 17.430 1.077 17.512
290 HA3 GLY 112 HA3 GLY 112 16.017 0.850 18.529
291 HA PRO 113 HA PRO 113 15.016 1.899 13.882
292 HB2 PRO 113 HB2 PRO 113 15.208 -0.585 12.584
293 HB3 PRO 113 HB3 PRO 113 16.427 0.715 12.557
294 HG2 PRO 113 HG2 PRO 113 16.362 -1.735 14.290
295 HG3 PRO 113 HG3 PRO 113 17.756 -0.934 13.464
296 HD2 PRO 113 HD2 PRO 113 17.254 -0.638 16.116
297 HD3 PRO 113 HD3 PRO 113 17.912 0.694 15.116
298 H GLU 114 H GLU 114 14.222 -1.085 15.716
299 HA GLU 114 HA GLU 114 11.619 -1.458 14.597
300 HB2 GLU 114 HB2 GLU 114 12.834 -2.310 17.250
301 HB3 GLU 114 HB3 GLU 114 11.251 -2.850 16.672
302 HG2 GLU 114 HG2 GLU 114 12.327 -3.823 14.645
303 HG3 GLU 114 HG3 GLU 114 13.910 -3.359 15.269
304 H ALA 115 H ALA 115 12.781 0.359 17.404
305 HA ALA 115 HA ALA 115 10.199 1.198 18.400
306 HB1 ALA 115 HB1 ALA 115 12.954 2.470 18.678
307 HB2 ALA 115 HB2 ALA 115 11.523 2.867 19.651
308 HB3 ALA 115 HB3 ALA 115 12.253 1.249 19.759
309 H VAL 116 H VAL 116 12.612 2.797 16.250
310 HA VAL 116 HA VAL 116 11.027 5.111 15.723
311 HB VAL 116 HB VAL 116 13.232 3.817 14.087
312 HG11 VAL 116 HG11 VAL 116 13.504 6.088 13.072
313 HG12 VAL 116 HG12 VAL 116 11.976 5.320 12.619
314 HG13 VAL 116 HG13 VAL 116 11.996 6.598 13.857
315 HG21 VAL 116 HG21 VAL 116 14.614 5.564 15.111
316 HG22 VAL 116 HG22 VAL 116 13.237 6.192 16.022
317 HG23 VAL 116 HG23 VAL 116 13.899 4.608 16.404
318 H GLU 117 H GLU 117 11.122 1.962 13.915
319 HA GLU 117 HA GLU 117 9.192 2.881 11.963
320 HB2 GLU 117 HB2 GLU 117 10.054 0.120 12.913
321 HB3 GLU 117 HB3 GLU 117 8.760 0.329 11.737
322 HG2 GLU 117 HG2 GLU 117 11.620 1.302 11.391
323 HG3 GLU 117 HG3 GLU 117 10.913 -0.122 10.634
324 H SER 118 H SER 118 8.836 1.707 15.277
325 HA SER 118 HA SER 118 5.954 1.363 15.135
326 HB2 SER 118 HB2 SER 118 7.311 0.326 16.838
327 HB3 SER 118 HB3 SER 118 7.615 1.912 17.582
328 HG SER 118 HG SER 118 5.824 0.766 18.539
329 H TRP 119 H TRP 119 8.088 4.186 15.546
330 HA TRP 119 HA TRP 119 5.964 6.054 16.244
331 HB2 TRP 119 HB2 TRP 119 8.575 6.735 14.877
332 HB3 TRP 119 HB3 TRP 119 7.528 7.789 15.788
333 HD1 TRP 119 HD1 TRP 119 7.546 5.329 18.228
334 HE1 TRP 119 HE1 TRP 119 9.511 5.444 19.865
335 HE3 TRP 119 HE3 TRP 119 10.691 8.392 15.541
336 HZ2 TRP 119 HZ2 TRP 119 12.160 6.574 19.938
337 HZ3 TRP 119 HZ3 TRP 119 12.857 9.085 16.514
338 HH2 TRP 119 HH2 TRP 119 13.618 8.171 18.685
339 H ALA 120 H ALA 120 6.796 4.456 13.276
340 HA ALA 120 HA ALA 120 6.314 6.561 11.447
341 HB1 ALA 120 HB1 ALA 120 7.482 4.369 10.959
342 HB2 ALA 120 HB2 ALA 120 5.878 3.618 10.865
343 HB3 ALA 120 HB3 ALA 120 6.319 4.908 9.728
344 H THR 121 H THR 121 4.575 7.215 10.251
345 HA THR 121 HA THR 121 1.965 5.776 10.361
346 HB THR 121 HB THR 121 0.947 8.184 10.248
347 HG1 THR 121 HG1 THR 121 3.326 8.690 11.715
348 HG21 THR 121 HG21 THR 121 1.968 7.122 12.904
349 HG22 THR 121 HG22 THR 121 0.657 8.301 12.668
350 HG23 THR 121 HG23 THR 121 0.464 6.646 12.078
351 H LEU 122 H LEU 122 1.317 5.262 8.487
352 HA LEU 122 HA LEU 122 2.507 6.309 6.035
353 HB2 LEU 122 HB2 LEU 122 0.379 4.271 6.765
354 HB3 LEU 122 HB3 LEU 122 0.705 4.684 5.077
355 HG LEU 122 HG LEU 122 2.892 3.710 6.963
356 HD11 LEU 122 HD11 LEU 122 1.154 2.071 5.056
357 HD12 LEU 122 HD12 LEU 122 2.594 1.479 5.923
358 HD13 LEU 122 HD13 LEU 122 1.158 1.970 6.834
359 HD21 LEU 122 HD21 LEU 122 3.639 4.848 4.850
360 HD22 LEU 122 HD22 LEU 122 4.019 3.118 4.822
361 HD23 LEU 122 HD23 LEU 122 2.632 3.730 3.906
362 H LEU 123 H LEU 123 1.891 8.157 5.117
363 HA LEU 123 HA LEU 123 -0.667 9.433 5.803
364 HB2 LEU 123 HB2 LEU 123 1.463 10.284 3.794
365 HB3 LEU 123 HB3 LEU 123 0.145 11.270 4.416
366 HG LEU 123 HG LEU 123 2.608 10.318 5.935
367 HD11 LEU 123 HD11 LEU 123 1.483 13.087 5.358
368 HD12 LEU 123 HD12 LEU 123 3.004 12.711 6.191
369 HD13 LEU 123 HD13 LEU 123 2.819 12.316 4.477
370 HD21 LEU 123 HD21 LEU 123 0.101 11.705 7.005
371 HD22 LEU 123 HD22 LEU 123 0.774 10.144 7.539
372 HD23 LEU 123 HD23 LEU 123 1.651 11.639 7.872
373 H GLY 124 H GLY 124 -2.185 10.214 4.173
374 HA2 GLY 124 HA2 GLY 124 -2.319 8.916 1.537
375 HA3 GLY 124 HA3 GLY 124 -3.465 8.300 2.732
376 H HIS 125 H HIS 125 -2.365 11.677 2.292
377 HA HIS 125 HA HIS 125 -4.920 12.560 1.156
378 HB2 HIS 125 HB2 HIS 125 -5.344 14.177 2.995
379 HB3 HIS 125 HB3 HIS 125 -5.577 12.497 3.448
380 HD1 HIS 125 HD1 HIS 125 -2.163 14.287 3.524
381 HD2 HIS 125 HD2 HIS 125 -5.170 12.736 6.040
382 HE1 HIS 125 HE1 HIS 125 -1.237 14.445 5.955
383 HE2 HIS 125 HE2 HIS 125 -3.094 13.470 7.476
Start of MODEL 10
1 H ALA 79 H1 ALA 79 3.722 0.349 0.520
2 HA ALA 79 HA ALA 79 3.884 0.346 -2.429
3 HB1 ALA 79 HB1 ALA 79 1.952 1.881 -2.391
4 HB2 ALA 79 HB2 ALA 79 1.532 0.374 -1.582
5 HB3 ALA 79 HB3 ALA 79 1.897 1.820 -0.620
6 H ARG 80 H ARG 80 3.885 2.789 -3.181
7 HA ARG 80 HA ARG 80 6.423 3.916 -2.283
8 HB2 ARG 80 HB2 ARG 80 4.480 4.828 -4.404
9 HB3 ARG 80 HB3 ARG 80 6.107 5.479 -4.087
10 HG2 ARG 80 HG2 ARG 80 7.083 3.238 -4.428
11 HG3 ARG 80 HG3 ARG 80 5.489 2.602 -4.868
12 HD2 ARG 80 HD2 ARG 80 5.354 4.190 -6.758
13 HD3 ARG 80 HD3 ARG 80 6.947 4.847 -6.324
14 HE ARG 80 HE ARG 80 7.222 2.043 -6.648
15 HH11 ARG 80 HH11 ARG 80 6.593 4.809 -8.711
16 HH12 ARG 80 HH12 ARG 80 7.289 4.040 -10.112
17 HH21 ARG 80 HH21 ARG 80 8.081 1.114 -8.478
18 HH22 ARG 80 HH22 ARG 80 8.102 1.994 -9.976
19 H LYS 81 H LYS 81 3.407 4.382 -0.967
20 HA LYS 81 HA LYS 81 3.122 7.090 -0.450
21 HB2 LYS 81 HB2 LYS 81 2.375 4.556 1.032
22 HB3 LYS 81 HB3 LYS 81 2.137 6.087 1.863
23 HG2 LYS 81 HG2 LYS 81 0.990 5.566 -0.907
24 HG3 LYS 81 HG3 LYS 81 0.137 5.176 0.591
25 HD2 LYS 81 HD2 LYS 81 0.345 7.567 1.315
26 HD3 LYS 81 HD3 LYS 81 1.057 7.967 -0.260
27 HE2 LYS 81 HE2 LYS 81 -0.978 7.225 -1.416
28 HE3 LYS 81 HE3 LYS 81 -1.699 6.710 0.112
29 HZ1 LYS 81 HZ1 LYS 81 -2.511 8.909 -0.491
30 HZ2 LYS 81 HZ2 LYS 81 -1.597 9.069 0.862
31 HZ3 LYS 81 HZ3 LYS 81 -1.006 9.523 -0.601
32 H VAL 82 H VAL 82 3.405 8.383 1.322
33 HA VAL 82 HA VAL 82 6.147 8.496 2.370
34 HB VAL 82 HB VAL 82 3.688 10.236 2.798
35 HG11 VAL 82 HG11 VAL 82 5.128 10.618 4.736
36 HG12 VAL 82 HG12 VAL 82 6.557 10.770 3.678
37 HG13 VAL 82 HG13 VAL 82 5.262 11.984 3.640
38 HG21 VAL 82 HG21 VAL 82 4.851 11.838 1.315
39 HG22 VAL 82 HG22 VAL 82 6.220 10.718 1.160
40 HG23 VAL 82 HG23 VAL 82 4.630 10.301 0.476
41 H LYS 83 H LYS 83 6.834 8.096 4.392
42 HA LYS 83 HA LYS 83 4.888 7.321 6.548
43 HB2 LYS 83 HB2 LYS 83 7.811 6.576 6.081
44 HB3 LYS 83 HB3 LYS 83 7.050 6.502 7.686
45 HG2 LYS 83 HG2 LYS 83 5.336 4.958 6.852
46 HG3 LYS 83 HG3 LYS 83 6.107 4.949 5.250
47 HD2 LYS 83 HD2 LYS 83 8.135 3.965 6.159
48 HD3 LYS 83 HD3 LYS 83 7.562 4.182 7.827
49 HE2 LYS 83 HE2 LYS 83 5.740 2.596 7.470
50 HE3 LYS 83 HE3 LYS 83 6.215 2.379 5.774
51 HZ1 LYS 83 HZ1 LYS 83 7.118 0.605 7.218
52 HZ2 LYS 83 HZ2 LYS 83 8.341 1.453 6.546
53 HZ3 LYS 83 HZ3 LYS 83 7.953 1.686 8.118
54 H GLN 84 H GLN 84 4.517 8.841 7.903
55 HA GLN 84 HA GLN 84 6.355 11.121 8.430
56 HB2 GLN 84 HB2 GLN 84 4.012 11.650 8.145
57 HB3 GLN 84 HB3 GLN 84 3.519 10.347 9.208
58 HG2 GLN 84 HG2 GLN 84 4.560 11.573 11.142
59 HG3 GLN 84 HG3 GLN 84 4.960 12.897 10.037
60 HE21 GLN 84 HE22 GLN 84 2.118 10.849 11.011
61 HE22 GLN 84 HE21 GLN 84 0.987 12.207 11.027
62 H TYR 85 H TYR 85 7.377 11.313 10.414
63 HA TYR 85 HA TYR 85 7.028 9.173 12.480
64 HB2 TYR 85 HB2 TYR 85 9.692 10.226 11.444
65 HB3 TYR 85 HB3 TYR 85 9.488 9.167 12.821
66 HD1 TYR 85 HD2 TYR 85 9.268 9.376 9.110
67 HD2 TYR 85 HD1 TYR 85 9.261 6.805 12.568
68 HE1 TYR 85 HE2 TYR 85 9.744 7.417 7.659
69 HE2 TYR 85 HE1 TYR 85 9.758 4.838 11.117
70 HH TYR 85 HH TYR 85 10.229 5.155 7.569
71 H LYS 86 H LYS 86 7.486 9.876 14.588
72 HA LYS 86 HA LYS 86 8.177 12.738 15.058
73 HB2 LYS 86 HB2 LYS 86 5.730 12.501 15.204
74 HB3 LYS 86 HB3 LYS 86 5.905 11.163 16.347
75 HG2 LYS 86 HG2 LYS 86 6.845 12.629 18.044
76 HG3 LYS 86 HG3 LYS 86 6.912 13.984 16.911
77 HD2 LYS 86 HD2 LYS 86 4.422 13.931 16.725
78 HD3 LYS 86 HD3 LYS 86 4.378 12.592 17.891
79 HE2 LYS 86 HE2 LYS 86 5.488 14.055 19.587
80 HE3 LYS 86 HE3 LYS 86 5.517 15.383 18.425
81 HZ1 LYS 86 HZ1 LYS 86 3.039 14.096 19.476
82 HZ2 LYS 86 HZ2 LYS 86 3.605 15.559 19.924
83 HZ3 LYS 86 HZ3 LYS 86 3.069 15.328 18.401
84 H ASN 87 H ASN 87 9.463 13.072 16.830
85 HA ASN 87 HA ASN 87 10.377 10.623 18.336
86 HB2 ASN 87 HB2 ASN 87 12.015 11.519 16.753
87 HB3 ASN 87 HB3 ASN 87 12.039 13.050 17.625
88 HD21 ASN 87 HD22 ASN 87 14.410 11.711 17.347
89 HD22 ASN 87 HD21 ASN 87 14.848 10.954 18.872
90 HA PRO 88 HA PRO 88 8.230 13.012 21.642
91 HB2 PRO 88 HB2 PRO 88 9.029 10.388 22.936
92 HB3 PRO 88 HB3 PRO 88 7.540 11.356 23.192
93 HG2 PRO 88 HG2 PRO 88 7.500 9.200 21.556
94 HG3 PRO 88 HG3 PRO 88 6.685 10.720 21.054
95 HD2 PRO 88 HD2 PRO 88 9.349 9.631 20.170
96 HD3 PRO 88 HD3 PRO 88 8.078 10.466 19.225
97 H HIS 89 H HIS 89 11.460 11.575 21.639
98 HA HIS 89 HA HIS 89 12.343 12.653 24.180
99 HB2 HIS 89 HB2 HIS 89 14.047 11.728 21.829
100 HB3 HIS 89 HB3 HIS 89 14.531 11.854 23.518
101 HD1 HIS 89 HD1 HIS 89 12.814 9.508 21.122
102 HD2 HIS 89 HD2 HIS 89 13.308 10.068 25.282
103 HE1 HIS 89 HE1 HIS 89 12.028 7.304 22.276
104 HE2 HIS 89 HE2 HIS 89 12.359 7.667 24.798
105 H THR 90 H THR 90 12.180 14.031 20.969
106 HA THR 90 HA THR 90 13.686 16.472 21.865
107 HB THR 90 HB THR 90 14.436 16.704 19.569
108 HG1 THR 90 HG1 THR 90 13.908 15.097 18.064
109 HG21 THR 90 HG21 THR 90 14.850 13.789 20.367
110 HG22 THR 90 HG22 THR 90 15.899 14.786 19.336
111 HG23 THR 90 HG23 THR 90 15.766 15.149 21.065
112 H GLY 91 H GLY 91 10.746 15.276 20.388
113 HA2 GLY 91 HA2 GLY 91 8.722 16.477 20.222
114 HA3 GLY 91 HA3 GLY 91 9.592 18.012 20.266
115 H GLU 92 H GLU 92 11.394 16.272 18.107
116 HA GLU 92 HA GLU 92 10.408 17.706 15.837
117 HB2 GLU 92 HB2 GLU 92 12.574 15.713 16.409
118 HB3 GLU 92 HB3 GLU 92 12.028 15.817 14.731
119 HG2 GLU 92 HG2 GLU 92 12.372 18.068 14.543
120 HG3 GLU 92 HG3 GLU 92 12.739 18.273 16.287
121 H VAL 93 H VAL 93 9.524 17.115 13.946
122 HA VAL 93 HA VAL 93 8.435 14.384 13.533
123 HB VAL 93 HB VAL 93 7.166 17.034 12.793
124 HG11 VAL 93 HG11 VAL 93 5.158 15.685 12.215
125 HG12 VAL 93 HG12 VAL 93 6.538 15.212 11.220
126 HG13 VAL 93 HG13 VAL 93 6.049 14.196 12.598
127 HG21 VAL 93 HG21 VAL 93 5.418 16.537 14.462
128 HG22 VAL 93 HG22 VAL 93 6.368 15.130 14.998
129 HG23 VAL 93 HG23 VAL 93 7.022 16.779 15.177
130 H ILE 94 H ILE 94 8.695 13.621 11.468
131 HA ILE 94 HA ILE 94 9.731 15.324 9.295
132 HB ILE 94 HB ILE 94 11.517 13.678 8.752
133 HG12 ILE 94 HG12 ILE 94 10.967 12.509 11.511
134 HG13 ILE 94 HG13 ILE 94 10.609 11.728 9.971
135 HG21 ILE 94 HG21 ILE 94 11.959 15.814 9.957
136 HG22 ILE 94 HG22 ILE 94 11.936 14.923 11.494
137 HG23 ILE 94 HG23 ILE 94 13.159 14.559 10.260
138 HD11 ILE 94 HD11 ILE 94 12.640 10.808 10.918
139 HD12 ILE 94 HD12 ILE 94 12.999 11.666 9.414
140 HD13 ILE 94 HD13 ILE 94 13.395 12.402 10.992
141 H GLU 95 H GLU 95 9.762 14.196 7.273
142 HA GLU 95 HA GLU 95 7.918 11.876 6.925
143 HB2 GLU 95 HB2 GLU 95 7.720 14.638 5.644
144 HB3 GLU 95 HB3 GLU 95 6.965 13.210 4.936
145 HG2 GLU 95 HG2 GLU 95 5.477 12.926 6.774
146 HG3 GLU 95 HG3 GLU 95 6.333 14.107 7.766
147 H THR 96 H THR 96 8.571 10.464 5.430
148 HA THR 96 HA THR 96 10.267 11.259 3.145
149 HB THR 96 HB THR 96 12.008 10.842 4.691
150 HG1 THR 96 HG1 THR 96 12.994 9.097 3.732
151 HG21 THR 96 HG21 THR 96 10.847 9.690 6.513
152 HG22 THR 96 HG22 THR 96 10.626 8.250 5.485
153 HG23 THR 96 HG23 THR 96 12.254 8.759 5.984
154 H LYS 97 H LYS 97 10.395 9.587 1.489
155 HA LYS 97 HA LYS 97 8.066 7.727 1.437
156 HB2 LYS 97 HB2 LYS 97 10.172 8.457 -0.644
157 HB3 LYS 97 HB3 LYS 97 8.863 7.295 -0.906
158 HG2 LYS 97 HG2 LYS 97 7.175 9.033 -0.437
159 HG3 LYS 97 HG3 LYS 97 8.463 10.233 -0.225
160 HD2 LYS 97 HD2 LYS 97 9.222 9.848 -2.557
161 HD3 LYS 97 HD3 LYS 97 7.923 8.654 -2.780
162 HE2 LYS 97 HE2 LYS 97 6.229 10.418 -2.321
163 HE3 LYS 97 HE3 LYS 97 7.519 11.602 -2.068
164 HZ1 LYS 97 HZ1 LYS 97 6.989 10.178 -4.631
165 HZ2 LYS 97 HZ2 LYS 97 6.623 11.741 -4.324
166 HZ3 LYS 97 HZ3 LYS 97 8.185 11.271 -4.401
167 H GLY 98 H GLY 98 11.138 7.519 2.697
168 HA2 GLY 98 HA2 GLY 98 11.648 5.411 3.829
169 HA3 GLY 98 HA3 GLY 98 11.222 4.527 2.364
170 H GLY 99 H GLY 99 12.972 7.275 1.432
171 HA2 GLY 99 HA2 GLY 99 15.363 5.778 0.733
172 HA3 GLY 99 HA3 GLY 99 15.073 7.493 0.482
173 H ASN 100 H ASN 100 17.525 7.048 1.100
174 HA ASN 100 HA ASN 100 18.222 6.834 3.882
175 HB2 ASN 100 HB2 ASN 100 19.724 6.218 2.026
176 HB3 ASN 100 HB3 ASN 100 19.791 7.905 1.508
177 HD21 ASN 100 HD22 ASN 100 22.158 7.693 1.790
178 HD22 ASN 100 HD21 ASN 100 22.820 7.844 3.411
179 H HIS 101 H HIS 101 16.778 8.320 4.891
180 HA HIS 101 HA HIS 101 17.349 11.238 4.606
181 HB2 HIS 101 HB2 HIS 101 15.018 10.333 4.413
182 HB3 HIS 101 HB3 HIS 101 15.091 9.822 6.100
183 HD1 HIS 101 HD1 HIS 101 15.008 11.867 7.923
184 HD2 HIS 101 HD2 HIS 101 14.743 12.926 3.852
185 HE1 HIS 101 HE1 HIS 101 14.506 14.406 7.872
186 HE2 HIS 101 HE2 HIS 101 14.267 15.019 5.371
187 H LYS 102 H LYS 102 19.250 11.527 5.716
188 HA LYS 102 HA LYS 102 20.416 10.202 7.743
189 HB2 LYS 102 HB2 LYS 102 21.419 12.035 6.430
190 HB3 LYS 102 HB3 LYS 102 20.469 13.220 7.309
191 HG2 LYS 102 HG2 LYS 102 22.730 13.259 8.096
192 HG3 LYS 102 HG3 LYS 102 21.696 12.688 9.395
193 HD2 LYS 102 HD2 LYS 102 22.443 10.355 9.007
194 HD3 LYS 102 HD3 LYS 102 23.384 10.886 7.593
195 HE2 LYS 102 HE2 LYS 102 24.708 12.405 9.085
196 HE3 LYS 102 HE3 LYS 102 23.816 11.798 10.481
197 HZ1 LYS 102 HZ1 LYS 102 25.560 10.149 8.705
198 HZ2 LYS 102 HZ2 LYS 102 25.945 10.648 10.207
199 HZ3 LYS 102 HZ3 LYS 102 24.741 9.566 10.002
200 H THR 103 H THR 103 18.153 12.889 8.530
201 HA THR 103 HA THR 103 18.378 12.771 11.325
202 HB THR 103 HB THR 103 15.731 13.230 9.902
203 HG1 THR 103 HG1 THR 103 17.785 15.162 10.115
204 HG21 THR 103 HG21 THR 103 15.462 15.055 11.535
205 HG22 THR 103 HG22 THR 103 15.613 13.481 12.328
206 HG23 THR 103 HG23 THR 103 16.998 14.595 12.308
207 H LEU 104 H LEU 104 16.503 10.601 9.232
208 HA LEU 104 HA LEU 104 15.059 9.313 11.461
209 HB2 LEU 104 HB2 LEU 104 14.148 9.492 9.068
210 HB3 LEU 104 HB3 LEU 104 15.447 8.424 8.551
211 HG LEU 104 HG LEU 104 14.534 6.710 10.254
212 HD11 LEU 104 HD11 LEU 104 12.161 6.972 10.871
213 HD12 LEU 104 HD12 LEU 104 13.142 8.238 11.618
214 HD13 LEU 104 HD13 LEU 104 12.145 8.604 10.187
215 HD21 LEU 104 HD21 LEU 104 12.798 5.920 8.768
216 HD22 LEU 104 HD22 LEU 104 12.657 7.523 8.013
217 HD23 LEU 104 HD23 LEU 104 14.138 6.556 7.801
218 H LYS 105 H LYS 105 17.860 8.598 9.286
219 HA LYS 105 HA LYS 105 18.584 6.107 10.390
220 HB2 LYS 105 HB2 LYS 105 19.519 7.407 8.341
221 HB3 LYS 105 HB3 LYS 105 20.621 8.177 9.520
222 HG2 LYS 105 HG2 LYS 105 21.489 5.957 10.161
223 HG3 LYS 105 HG3 LYS 105 20.355 5.181 9.039
224 HD2 LYS 105 HD2 LYS 105 21.453 6.317 7.121
225 HD3 LYS 105 HD3 LYS 105 22.527 7.165 8.230
226 HE2 LYS 105 HE2 LYS 105 23.799 5.394 7.322
227 HE3 LYS 105 HE3 LYS 105 23.451 4.957 8.997
228 HZ1 LYS 105 HZ1 LYS 105 23.112 3.079 7.458
229 HZ2 LYS 105 HZ2 LYS 105 21.693 3.454 8.157
230 HZ3 LYS 105 HZ3 LYS 105 21.990 3.904 6.610
231 H GLU 106 H GLU 106 19.596 9.369 11.437
232 HA GLU 106 HA GLU 106 21.155 8.574 13.633
233 HB2 GLU 106 HB2 GLU 106 19.516 11.040 12.986
234 HB3 GLU 106 HB3 GLU 106 20.156 10.855 14.615
235 HG2 GLU 106 HG2 GLU 106 22.429 10.501 13.681
236 HG3 GLU 106 HG3 GLU 106 21.775 10.812 12.054
237 H TRP 107 H TRP 107 17.620 9.129 13.527
238 HA TRP 107 HA TRP 107 17.224 8.519 16.301
239 HB2 TRP 107 HB2 TRP 107 15.270 8.371 13.981
240 HB3 TRP 107 HB3 TRP 107 14.843 8.254 15.677
241 HD1 TRP 107 HD1 TRP 107 17.312 10.860 15.759
242 HE1 TRP 107 HE1 TRP 107 16.326 13.207 15.585
243 HE3 TRP 107 HE3 TRP 107 12.612 9.664 14.055
244 HZ2 TRP 107 HZ2 TRP 107 13.900 14.421 14.743
245 HZ3 TRP 107 HZ3 TRP 107 10.959 11.474 13.624
246 HH2 TRP 107 HH2 TRP 107 11.606 13.875 13.938
247 H LYS 108 H LYS 108 17.141 6.407 13.411
248 HA LYS 108 HA LYS 108 16.336 3.995 14.814
249 HB2 LYS 108 HB2 LYS 108 17.993 4.339 12.271
250 HB3 LYS 108 HB3 LYS 108 17.294 2.798 12.844
251 HG2 LYS 108 HG2 LYS 108 15.010 3.703 12.598
252 HG3 LYS 108 HG3 LYS 108 15.645 5.262 12.146
253 HD2 LYS 108 HD2 LYS 108 15.340 4.572 10.029
254 HD3 LYS 108 HD3 LYS 108 16.880 3.737 10.239
255 HE2 LYS 108 HE2 LYS 108 15.605 1.691 10.960
256 HE3 LYS 108 HE3 LYS 108 14.087 2.578 10.715
257 HZ1 LYS 108 HZ1 LYS 108 14.627 1.204 8.768
258 HZ2 LYS 108 HZ2 LYS 108 14.682 2.775 8.335
259 HZ3 LYS 108 HZ3 LYS 108 16.072 1.930 8.569
260 H ALA 109 H ALA 109 19.507 5.476 14.218
261 HA ALA 109 HA ALA 109 21.056 3.369 15.444
262 HB1 ALA 109 HB1 ALA 109 21.965 5.006 13.829
263 HB2 ALA 109 HB2 ALA 109 21.688 6.323 14.995
264 HB3 ALA 109 HB3 ALA 109 22.867 5.041 15.359
265 H LYS 110 H LYS 110 19.605 6.359 16.713
266 HA LYS 110 HA LYS 110 20.850 5.939 19.369
267 HB2 LYS 110 HB2 LYS 110 19.405 8.298 18.117
268 HB3 LYS 110 HB3 LYS 110 19.926 8.263 19.802
269 HG2 LYS 110 HG2 LYS 110 22.247 7.762 19.123
270 HG3 LYS 110 HG3 LYS 110 21.797 7.846 17.420
271 HD2 LYS 110 HD2 LYS 110 21.405 10.195 19.326
272 HD3 LYS 110 HD3 LYS 110 22.943 9.875 18.515
273 HE2 LYS 110 HE2 LYS 110 21.805 9.978 16.290
274 HE3 LYS 110 HE3 LYS 110 20.285 10.392 17.106
275 HZ1 LYS 110 HZ1 LYS 110 22.785 12.007 17.361
276 HZ2 LYS 110 HZ2 LYS 110 21.640 12.356 16.266
277 HZ3 LYS 110 HZ3 LYS 110 21.300 12.449 17.882
278 H TRP 111 H TRP 111 17.647 5.422 18.136
279 HA TRP 111 HA TRP 111 16.832 4.623 20.915
280 HB2 TRP 111 HB2 TRP 111 15.187 6.022 18.776
281 HB3 TRP 111 HB3 TRP 111 14.491 5.246 20.183
282 HD1 TRP 111 HD1 TRP 111 15.188 6.155 22.627
283 HE1 TRP 111 HE1 TRP 111 15.893 8.477 23.465
284 HE3 TRP 111 HE3 TRP 111 16.301 8.305 18.151
285 HZ2 TRP 111 HZ2 TRP 111 16.920 10.929 22.329
286 HZ3 TRP 111 HZ3 TRP 111 17.218 10.636 18.048
287 HH2 TRP 111 HH2 TRP 111 17.518 11.950 20.128
288 H GLY 112 H GLY 112 17.354 3.422 17.792
289 HA2 GLY 112 HA2 GLY 112 17.417 1.076 17.477
290 HA3 GLY 112 HA3 GLY 112 16.000 0.854 18.496
291 HA PRO 113 HA PRO 113 15.007 1.905 13.854
292 HB2 PRO 113 HB2 PRO 113 15.191 -0.569 12.543
293 HB3 PRO 113 HB3 PRO 113 16.425 0.726 12.531
294 HG2 PRO 113 HG2 PRO 113 16.338 -1.732 14.241
295 HG3 PRO 113 HG3 PRO 113 17.746 -0.925 13.434
296 HD2 PRO 113 HD2 PRO 113 17.225 -0.653 16.081
297 HD3 PRO 113 HD3 PRO 113 17.904 0.678 15.092
298 H GLU 114 H GLU 114 14.211 -1.066 15.697
299 HA GLU 114 HA GLU 114 11.599 -1.438 14.595
300 HB2 GLU 114 HB2 GLU 114 12.835 -2.283 17.243
301 HB3 GLU 114 HB3 GLU 114 11.249 -2.822 16.676
302 HG2 GLU 114 HG2 GLU 114 12.313 -3.798 14.646
303 HG3 GLU 114 HG3 GLU 114 13.902 -3.331 15.261
304 H ALA 115 H ALA 115 12.787 0.385 17.392
305 HA ALA 115 HA ALA 115 10.205 1.213 18.411
306 HB1 ALA 115 HB1 ALA 115 12.958 2.489 18.670
307 HB2 ALA 115 HB2 ALA 115 11.540 2.884 19.657
308 HB3 ALA 115 HB3 ALA 115 12.277 1.264 19.755
309 H VAL 116 H VAL 116 12.595 2.808 16.240
310 HA VAL 116 HA VAL 116 11.012 5.125 15.713
311 HB VAL 116 HB VAL 116 13.210 3.813 14.082
312 HG11 VAL 116 HG11 VAL 116 13.488 6.081 13.052
313 HG12 VAL 116 HG12 VAL 116 11.959 5.312 12.598
314 HG13 VAL 116 HG13 VAL 116 11.979 6.592 13.827
315 HG21 VAL 116 HG21 VAL 116 14.611 5.543 15.096
316 HG22 VAL 116 HG22 VAL 116 13.239 6.212 15.983
317 HG23 VAL 116 HG23 VAL 116 13.876 4.625 16.404
318 H GLU 117 H GLU 117 11.110 1.977 13.920
319 HA GLU 117 HA GLU 117 9.174 2.793 11.935
320 HB2 GLU 117 HB2 GLU 117 10.107 0.128 13.051
321 HB3 GLU 117 HB3 GLU 117 8.765 0.185 11.927
322 HG2 GLU 117 HG2 GLU 117 11.436 1.498 11.275
323 HG3 GLU 117 HG3 GLU 117 11.135 -0.214 11.002
324 H SER 118 H SER 118 8.829 1.677 15.294
325 HA SER 118 HA SER 118 5.952 1.339 15.191
326 HB2 SER 118 HB2 SER 118 7.334 0.317 16.877
327 HB3 SER 118 HB3 SER 118 7.637 1.912 17.620
328 HG SER 118 HG SER 118 5.867 0.754 18.596
329 H TRP 119 H TRP 119 8.075 4.168 15.551
330 HA TRP 119 HA TRP 119 5.951 6.029 16.278
331 HB2 TRP 119 HB2 TRP 119 8.574 6.714 14.921
332 HB3 TRP 119 HB3 TRP 119 7.512 7.775 15.806
333 HD1 TRP 119 HD1 TRP 119 7.457 5.389 18.283
334 HE1 TRP 119 HE1 TRP 119 9.380 5.526 19.960
335 HE3 TRP 119 HE3 TRP 119 10.710 8.334 15.587
336 HZ2 TRP 119 HZ2 TRP 119 12.057 6.593 20.054
337 HZ3 TRP 119 HZ3 TRP 119 12.872 9.001 16.576
338 HH2 TRP 119 HH2 TRP 119 13.577 8.120 18.787
339 H ALA 120 H ALA 120 6.753 4.440 13.304
340 HA ALA 120 HA ALA 120 6.284 6.563 11.493
341 HB1 ALA 120 HB1 ALA 120 5.837 3.625 10.882
342 HB2 ALA 120 HB2 ALA 120 6.299 4.924 9.766
343 HB3 ALA 120 HB3 ALA 120 7.442 4.357 10.996
344 H THR 121 H THR 121 4.556 7.214 10.292
345 HA THR 121 HA THR 121 1.951 5.762 10.358
346 HB THR 121 HB THR 121 0.921 8.160 10.216
347 HG1 THR 121 HG1 THR 121 3.234 8.699 11.778
348 HG21 THR 121 HG21 THR 121 0.407 6.613 12.037
349 HG22 THR 121 HG22 THR 121 1.880 7.107 12.900
350 HG23 THR 121 HG23 THR 121 0.569 8.277 12.626
351 H LEU 122 H LEU 122 1.484 5.177 8.455
352 HA LEU 122 HA LEU 122 2.582 6.325 6.021
353 HB2 LEU 122 HB2 LEU 122 0.421 4.317 6.731
354 HB3 LEU 122 HB3 LEU 122 0.737 4.760 5.052
355 HG LEU 122 HG LEU 122 2.911 3.680 6.899
356 HD11 LEU 122 HD11 LEU 122 2.547 1.494 5.796
357 HD12 LEU 122 HD12 LEU 122 1.119 1.997 6.711
358 HD13 LEU 122 HD13 LEU 122 1.131 2.151 4.943
359 HD21 LEU 122 HD21 LEU 122 4.028 3.121 4.747
360 HD22 LEU 122 HD22 LEU 122 2.660 3.796 3.847
361 HD23 LEU 122 HD23 LEU 122 3.689 4.858 4.821
362 H LEU 123 H LEU 123 1.787 7.984 4.815
363 HA LEU 123 HA LEU 123 -0.636 9.382 5.726
364 HB2 LEU 123 HB2 LEU 123 1.266 10.038 3.446
365 HB3 LEU 123 HB3 LEU 123 -0.005 11.080 4.085
366 HG LEU 123 HG LEU 123 2.556 10.236 5.487
367 HD11 LEU 123 HD11 LEU 123 3.006 12.623 5.504
368 HD12 LEU 123 HD12 LEU 123 2.645 12.119 3.843
369 HD13 LEU 123 HD13 LEU 123 1.415 12.974 4.794
370 HD21 LEU 123 HD21 LEU 123 1.769 11.733 7.368
371 HD22 LEU 123 HD22 LEU 123 0.155 11.731 6.630
372 HD23 LEU 123 HD23 LEU 123 0.871 10.220 7.240
373 H GLY 124 H GLY 124 -1.529 7.018 5.073
374 HA2 GLY 124 HA2 GLY 124 -3.662 7.409 3.310
375 HA3 GLY 124 HA3 GLY 124 -2.422 6.564 2.372
376 H HIS 125 H HIS 125 -4.677 5.255 2.572
377 HA HIS 125 HA HIS 125 -4.044 2.865 4.127
378 HB2 HIS 125 HB2 HIS 125 -6.293 2.754 5.192
379 HB3 HIS 125 HB3 HIS 125 -5.243 4.004 5.840
380 HD1 HIS 125 HD1 HIS 125 -7.406 4.515 2.699
381 HD2 HIS 125 HD2 HIS 125 -7.113 5.638 6.754
382 HE1 HIS 125 HE1 HIS 125 -9.188 6.379 3.076
383 HE2 HIS 125 HE2 HIS 125 -8.984 7.054 5.556
Start of MODEL 11
1 H ALA 79 H1 ALA 79 5.494 1.545 -0.405
2 HA ALA 79 HA ALA 79 5.850 1.584 -2.791
3 HB1 ALA 79 HB1 ALA 79 4.218 0.551 -4.309
4 HB2 ALA 79 HB2 ALA 79 4.967 -0.676 -3.275
5 HB3 ALA 79 HB3 ALA 79 3.314 -0.116 -2.934
6 H ARG 80 H ARG 80 5.435 3.529 -3.501
7 HA ARG 80 HA ARG 80 4.504 5.544 -3.988
8 HB2 ARG 80 HB2 ARG 80 2.048 3.869 -4.369
9 HB3 ARG 80 HB3 ARG 80 2.340 5.517 -4.974
10 HG2 ARG 80 HG2 ARG 80 4.417 4.708 -6.129
11 HG3 ARG 80 HG3 ARG 80 3.997 3.058 -5.651
12 HD2 ARG 80 HD2 ARG 80 3.243 3.335 -7.873
13 HD3 ARG 80 HD3 ARG 80 1.807 3.327 -6.820
14 HE ARG 80 HE ARG 80 2.720 6.021 -7.293
15 HH11 ARG 80 HH21 ARG 80 1.003 3.473 -8.979
16 HH12 ARG 80 HH22 ARG 80 0.172 4.596 -10.022
17 HH21 ARG 80 HH11 ARG 80 1.619 7.403 -8.652
18 HH22 ARG 80 HH12 ARG 80 0.521 6.766 -9.837
19 H LYS 81 H LYS 81 4.657 5.136 -1.157
20 HA LYS 81 HA LYS 81 2.591 7.076 -0.173
21 HB2 LYS 81 HB2 LYS 81 3.327 4.390 1.063
22 HB3 LYS 81 HB3 LYS 81 2.421 5.637 1.929
23 HG2 LYS 81 HG2 LYS 81 0.607 5.535 0.279
24 HG3 LYS 81 HG3 LYS 81 1.511 4.375 -0.683
25 HD2 LYS 81 HD2 LYS 81 1.483 2.820 1.387
26 HD3 LYS 81 HD3 LYS 81 0.302 3.957 2.062
27 HE2 LYS 81 HE2 LYS 81 -1.033 2.304 1.046
28 HE3 LYS 81 HE3 LYS 81 -1.038 3.645 -0.112
29 HZ1 LYS 81 HZ1 LYS 81 0.590 1.154 -0.302
30 HZ2 LYS 81 HZ2 LYS 81 -0.659 1.565 -1.260
31 HZ3 LYS 81 HZ3 LYS 81 0.745 2.402 -1.354
32 H VAL 82 H VAL 82 3.090 8.147 1.711
33 HA VAL 82 HA VAL 82 6.007 8.521 2.337
34 HB VAL 82 HB VAL 82 3.546 10.259 2.797
35 HG11 VAL 82 HG11 VAL 82 4.980 10.694 4.691
36 HG12 VAL 82 HG12 VAL 82 6.423 10.799 3.641
37 HG13 VAL 82 HG13 VAL 82 5.149 12.025 3.555
38 HG21 VAL 82 HG21 VAL 82 4.397 10.221 0.470
39 HG22 VAL 82 HG22 VAL 82 4.639 11.801 1.229
40 HG23 VAL 82 HG23 VAL 82 6.014 10.687 1.056
41 H LYS 83 H LYS 83 6.762 8.126 4.357
42 HA LYS 83 HA LYS 83 4.865 7.339 6.553
43 HB2 LYS 83 HB2 LYS 83 7.780 6.628 6.032
44 HB3 LYS 83 HB3 LYS 83 7.050 6.529 7.647
45 HG2 LYS 83 HG2 LYS 83 5.329 4.988 6.839
46 HG3 LYS 83 HG3 LYS 83 6.049 5.012 5.214
47 HD2 LYS 83 HD2 LYS 83 8.108 4.021 6.032
48 HD3 LYS 83 HD3 LYS 83 7.587 4.183 7.721
49 HE2 LYS 83 HE2 LYS 83 5.787 2.587 7.411
50 HE3 LYS 83 HE3 LYS 83 6.107 2.481 5.673
51 HZ1 LYS 83 HZ1 LYS 83 7.117 0.612 6.915
52 HZ2 LYS 83 HZ2 LYS 83 8.278 1.487 6.177
53 HZ3 LYS 83 HZ3 LYS 83 8.056 1.619 7.792
54 H GLN 84 H GLN 84 4.481 8.864 7.901
55 HA GLN 84 HA GLN 84 6.323 11.142 8.442
56 HB2 GLN 84 HB2 GLN 84 3.985 11.677 8.178
57 HB3 GLN 84 HB3 GLN 84 3.489 10.360 9.225
58 HG2 GLN 84 HG2 GLN 84 4.531 11.556 11.177
59 HG3 GLN 84 HG3 GLN 84 4.936 12.900 10.094
60 HE21 GLN 84 HE22 GLN 84 2.094 10.837 11.045
61 HE22 GLN 84 HE21 GLN 84 0.963 12.190 11.068
62 H TYR 85 H TYR 85 7.337 11.325 10.433
63 HA TYR 85 HA TYR 85 6.980 9.173 12.478
64 HB2 TYR 85 HB2 TYR 85 9.654 10.244 11.496
65 HB3 TYR 85 HB3 TYR 85 9.428 9.161 12.844
66 HD1 TYR 85 HD1 TYR 85 9.155 9.441 9.120
67 HD2 TYR 85 HD2 TYR 85 9.344 6.809 12.535
68 HE1 TYR 85 HE1 TYR 85 9.620 7.510 7.624
69 HE2 TYR 85 HE2 TYR 85 9.845 4.887 11.044
70 HH TYR 85 HH TYR 85 10.287 4.226 8.888
71 H LYS 86 H LYS 86 7.429 9.858 14.591
72 HA LYS 86 HA LYS 86 8.096 12.724 15.087
73 HB2 LYS 86 HB2 LYS 86 5.647 12.469 15.249
74 HB3 LYS 86 HB3 LYS 86 5.841 11.116 16.374
75 HG2 LYS 86 HG2 LYS 86 6.788 12.583 18.074
76 HG3 LYS 86 HG3 LYS 86 6.821 13.947 16.943
77 HD2 LYS 86 HD2 LYS 86 4.343 13.885 16.798
78 HD3 LYS 86 HD3 LYS 86 4.312 12.511 17.925
79 HE2 LYS 86 HE2 LYS 86 5.419 13.924 19.661
80 HE3 LYS 86 HE3 LYS 86 5.453 15.286 18.532
81 HZ1 LYS 86 HZ1 LYS 86 3.007 15.252 18.508
82 HZ2 LYS 86 HZ2 LYS 86 2.966 13.986 19.549
83 HZ3 LYS 86 HZ3 LYS 86 3.545 15.432 20.038
84 H ASN 87 H ASN 87 9.379 13.052 16.863
85 HA ASN 87 HA ASN 87 10.389 10.600 18.292
86 HB2 ASN 87 HB2 ASN 87 11.956 11.559 16.691
87 HB3 ASN 87 HB3 ASN 87 11.929 13.099 17.546
88 HD21 ASN 87 HD22 ASN 87 14.328 11.656 17.148
89 HD22 ASN 87 HD21 ASN 87 14.840 11.012 18.706
90 HA PRO 88 HA PRO 88 8.241 12.916 21.661
91 HB2 PRO 88 HB2 PRO 88 9.011 10.257 22.895
92 HB3 PRO 88 HB3 PRO 88 7.529 11.231 23.171
93 HG2 PRO 88 HG2 PRO 88 7.456 9.113 21.490
94 HG3 PRO 88 HG3 PRO 88 6.667 10.652 21.015
95 HD2 PRO 88 HD2 PRO 88 9.342 9.553 20.137
96 HD3 PRO 88 HD3 PRO 88 8.082 10.397 19.186
97 H HIS 89 H HIS 89 11.456 11.412 21.627
98 HA HIS 89 HA HIS 89 12.306 12.519 24.187
99 HB2 HIS 89 HB2 HIS 89 13.994 11.314 21.954
100 HB3 HIS 89 HB3 HIS 89 14.463 11.540 23.634
101 HD1 HIS 89 HD1 HIS 89 13.019 9.963 25.464
102 HD2 HIS 89 HD2 HIS 89 12.735 9.074 21.346
103 HE1 HIS 89 HE1 HIS 89 12.033 7.595 25.308
104 HE2 HIS 89 HE2 HIS 89 11.853 7.052 22.798
105 H THR 90 H THR 90 12.208 13.829 20.969
106 HA THR 90 HA THR 90 13.869 16.177 21.840
107 HB THR 90 HB THR 90 14.567 16.424 19.541
108 HG1 THR 90 HG1 THR 90 13.913 14.921 18.003
109 HG21 THR 90 HG21 THR 90 15.857 14.773 20.947
110 HG22 THR 90 HG22 THR 90 14.845 13.470 20.269
111 HG23 THR 90 HG23 THR 90 15.914 14.420 19.210
112 H GLY 91 H GLY 91 10.838 15.159 20.420
113 HA2 GLY 91 HA2 GLY 91 8.865 16.461 20.360
114 HA3 GLY 91 HA3 GLY 91 9.811 17.948 20.370
115 H GLU 92 H GLU 92 11.419 16.109 18.136
116 HA GLU 92 HA GLU 92 10.419 17.649 15.932
117 HB2 GLU 92 HB2 GLU 92 12.554 15.583 16.381
118 HB3 GLU 92 HB3 GLU 92 11.971 15.777 14.723
119 HG2 GLU 92 HG2 GLU 92 12.370 18.024 14.635
120 HG3 GLU 92 HG3 GLU 92 12.793 18.139 16.373
121 H VAL 93 H VAL 93 9.510 17.100 14.025
122 HA VAL 93 HA VAL 93 8.372 14.395 13.575
123 HB VAL 93 HB VAL 93 7.145 17.079 12.875
124 HG11 VAL 93 HG11 VAL 93 5.123 15.762 12.279
125 HG12 VAL 93 HG12 VAL 93 6.493 15.328 11.256
126 HG13 VAL 93 HG13 VAL 93 6.018 14.259 12.599
127 HG21 VAL 93 HG21 VAL 93 5.396 16.573 14.534
128 HG22 VAL 93 HG22 VAL 93 6.322 15.139 15.044
129 HG23 VAL 93 HG23 VAL 93 6.999 16.777 15.247
130 H ILE 94 H ILE 94 8.606 13.657 11.497
131 HA ILE 94 HA ILE 94 9.654 15.366 9.337
132 HB ILE 94 HB ILE 94 11.428 13.707 8.780
133 HG12 ILE 94 HG12 ILE 94 10.887 12.548 11.541
134 HG13 ILE 94 HG13 ILE 94 10.504 11.770 10.008
135 HG21 ILE 94 HG21 ILE 94 11.880 15.844 9.990
136 HG22 ILE 94 HG22 ILE 94 11.872 14.945 11.522
137 HG23 ILE 94 HG23 ILE 94 13.087 14.587 10.279
138 HD11 ILE 94 HD11 ILE 94 12.885 11.660 9.427
139 HD12 ILE 94 HD12 ILE 94 13.312 12.419 10.985
140 HD13 ILE 94 HD13 ILE 94 12.537 10.837 10.956
141 H GLU 95 H GLU 95 9.666 14.255 7.305
142 HA GLU 95 HA GLU 95 7.886 11.890 6.963
143 HB2 GLU 95 HB2 GLU 95 7.665 14.626 5.627
144 HB3 GLU 95 HB3 GLU 95 6.965 13.165 4.922
145 HG2 GLU 95 HG2 GLU 95 5.447 12.875 6.755
146 HG3 GLU 95 HG3 GLU 95 6.250 14.127 7.715
147 H THR 96 H THR 96 8.518 10.504 5.449
148 HA THR 96 HA THR 96 10.286 11.269 3.210
149 HB THR 96 HB THR 96 11.984 10.789 4.777
150 HG1 THR 96 HG1 THR 96 12.937 9.030 3.806
151 HG21 THR 96 HG21 THR 96 10.757 9.626 6.559
152 HG22 THR 96 HG22 THR 96 10.521 8.211 5.497
153 HG23 THR 96 HG23 THR 96 12.153 8.675 6.041
154 H LYS 97 H LYS 97 10.425 9.578 1.571
155 HA LYS 97 HA LYS 97 8.022 7.802 1.443
156 HB2 LYS 97 HB2 LYS 97 10.166 8.540 -0.595
157 HB3 LYS 97 HB3 LYS 97 8.850 7.391 -0.894
158 HG2 LYS 97 HG2 LYS 97 7.175 9.137 -0.421
159 HG3 LYS 97 HG3 LYS 97 8.467 10.318 -0.133
160 HD2 LYS 97 HD2 LYS 97 9.278 10.009 -2.458
161 HD3 LYS 97 HD3 LYS 97 7.974 8.842 -2.757
162 HE2 LYS 97 HE2 LYS 97 6.278 10.598 -2.268
163 HE3 LYS 97 HE3 LYS 97 7.572 11.754 -1.925
164 HZ1 LYS 97 HZ1 LYS 97 8.301 11.538 -4.253
165 HZ2 LYS 97 HZ2 LYS 97 7.107 10.464 -4.571
166 HZ3 LYS 97 HZ3 LYS 97 6.743 12.008 -4.203
167 H GLY 98 H GLY 98 11.047 7.496 2.774
168 HA2 GLY 98 HA2 GLY 98 11.503 5.406 3.912
169 HA3 GLY 98 HA3 GLY 98 11.010 4.504 2.479
170 H GLY 99 H GLY 99 12.890 7.154 1.502
171 HA2 GLY 99 HA2 GLY 99 15.191 5.538 0.772
172 HA3 GLY 99 HA3 GLY 99 14.991 7.275 0.531
173 H ASN 100 H ASN 100 17.417 6.704 1.113
174 HA ASN 100 HA ASN 100 18.187 6.480 3.867
175 HB2 ASN 100 HB2 ASN 100 19.635 5.851 1.979
176 HB3 ASN 100 HB3 ASN 100 19.677 7.525 1.429
177 HD21 ASN 100 HD22 ASN 100 22.009 7.511 1.620
178 HD22 ASN 100 HD21 ASN 100 22.758 7.610 3.209
179 H HIS 101 H HIS 101 16.802 7.973 4.935
180 HA HIS 101 HA HIS 101 17.317 10.886 4.574
181 HB2 HIS 101 HB2 HIS 101 15.013 9.921 4.455
182 HB3 HIS 101 HB3 HIS 101 15.122 9.484 6.156
183 HD1 HIS 101 HD1 HIS 101 14.780 11.548 7.878
184 HD2 HIS 101 HD2 HIS 101 14.897 12.542 3.782
185 HE1 HIS 101 HE1 HIS 101 14.270 14.078 7.738
186 HE2 HIS 101 HE2 HIS 101 14.272 14.654 5.215
187 H LYS 102 H LYS 102 19.227 11.222 5.575
188 HA LYS 102 HA LYS 102 20.551 10.106 7.640
189 HB2 LYS 102 HB2 LYS 102 21.061 12.038 5.985
190 HB3 LYS 102 HB3 LYS 102 20.586 13.120 7.281
191 HG2 LYS 102 HG2 LYS 102 22.753 10.966 7.538
192 HG3 LYS 102 HG3 LYS 102 23.058 12.593 6.933
193 HD2 LYS 102 HD2 LYS 102 22.159 13.528 9.086
194 HD3 LYS 102 HD3 LYS 102 22.075 11.862 9.708
195 HE2 LYS 102 HE2 LYS 102 24.427 11.568 9.615
196 HE3 LYS 102 HE3 LYS 102 24.653 12.928 8.508
197 HZ1 LYS 102 HZ1 LYS 102 24.192 14.466 10.262
198 HZ2 LYS 102 HZ2 LYS 102 23.721 13.305 11.308
199 HZ3 LYS 102 HZ3 LYS 102 25.302 13.426 10.858
200 H THR 103 H THR 103 18.245 12.773 8.348
201 HA THR 103 HA THR 103 18.543 12.743 11.157
202 HB THR 103 HB THR 103 15.995 13.318 9.576
203 HG1 THR 103 HG1 THR 103 16.850 15.459 9.546
204 HG21 THR 103 HG21 THR 103 16.937 14.431 12.250
205 HG22 THR 103 HG22 THR 103 15.494 14.950 11.343
206 HG23 THR 103 HG23 THR 103 15.571 13.317 12.009
207 H LEU 104 H LEU 104 16.533 10.578 9.177
208 HA LEU 104 HA LEU 104 15.138 9.369 11.481
209 HB2 LEU 104 HB2 LEU 104 14.191 9.468 9.099
210 HB3 LEU 104 HB3 LEU 104 15.466 8.345 8.615
211 HG LEU 104 HG LEU 104 14.525 6.751 10.420
212 HD11 LEU 104 HD11 LEU 104 13.143 8.388 11.661
213 HD12 LEU 104 HD12 LEU 104 12.162 8.659 10.199
214 HD13 LEU 104 HD13 LEU 104 12.160 7.083 10.992
215 HD21 LEU 104 HD21 LEU 104 12.708 7.451 8.088
216 HD22 LEU 104 HD22 LEU 104 14.166 6.436 7.984
217 HD23 LEU 104 HD23 LEU 104 12.781 5.905 8.956
218 H LYS 105 H LYS 105 17.902 8.574 9.294
219 HA LYS 105 HA LYS 105 18.610 6.101 10.420
220 HB2 LYS 105 HB2 LYS 105 19.556 7.376 8.360
221 HB3 LYS 105 HB3 LYS 105 20.679 8.123 9.539
222 HG2 LYS 105 HG2 LYS 105 21.467 5.870 10.194
223 HG3 LYS 105 HG3 LYS 105 20.332 5.127 9.049
224 HD2 LYS 105 HD2 LYS 105 21.494 6.255 7.170
225 HD3 LYS 105 HD3 LYS 105 22.630 7.005 8.317
226 HE2 LYS 105 HE2 LYS 105 23.365 4.742 9.051
227 HE3 LYS 105 HE3 LYS 105 22.235 4.000 7.913
228 HZ1 LYS 105 HZ1 LYS 105 24.530 5.738 7.138
229 HZ2 LYS 105 HZ2 LYS 105 24.485 4.117 6.986
230 HZ3 LYS 105 HZ3 LYS 105 23.483 5.036 6.087
231 H GLU 106 H GLU 106 19.696 9.354 11.440
232 HA GLU 106 HA GLU 106 21.199 8.509 13.652
233 HB2 GLU 106 HB2 GLU 106 19.676 11.042 12.999
234 HB3 GLU 106 HB3 GLU 106 20.265 10.810 14.646
235 HG2 GLU 106 HG2 GLU 106 22.539 10.338 13.760
236 HG3 GLU 106 HG3 GLU 106 21.934 10.688 12.123
237 H TRP 107 H TRP 107 17.684 9.147 13.521
238 HA TRP 107 HA TRP 107 17.248 8.568 16.294
239 HB2 TRP 107 HB2 TRP 107 15.308 8.378 13.959
240 HB3 TRP 107 HB3 TRP 107 14.868 8.308 15.654
241 HD1 TRP 107 HD1 TRP 107 17.356 10.922 15.632
242 HE1 TRP 107 HE1 TRP 107 16.359 13.258 15.402
243 HE3 TRP 107 HE3 TRP 107 12.629 9.652 14.074
244 HZ2 TRP 107 HZ2 TRP 107 13.902 14.438 14.579
245 HZ3 TRP 107 HZ3 TRP 107 10.951 11.438 13.644
246 HH2 TRP 107 HH2 TRP 107 11.583 13.849 13.879
247 H LYS 108 H LYS 108 17.185 6.421 13.436
248 HA LYS 108 HA LYS 108 16.346 4.025 14.845
249 HB2 LYS 108 HB2 LYS 108 18.025 4.341 12.312
250 HB3 LYS 108 HB3 LYS 108 17.310 2.813 12.894
251 HG2 LYS 108 HG2 LYS 108 15.035 3.735 12.626
252 HG3 LYS 108 HG3 LYS 108 15.679 5.287 12.174
253 HD2 LYS 108 HD2 LYS 108 15.351 4.590 10.063
254 HD3 LYS 108 HD3 LYS 108 16.912 3.785 10.263
255 HE2 LYS 108 HE2 LYS 108 15.704 1.705 10.954
256 HE3 LYS 108 HE3 LYS 108 14.154 2.547 10.765
257 HZ1 LYS 108 HZ1 LYS 108 14.720 1.220 8.778
258 HZ2 LYS 108 HZ2 LYS 108 14.656 2.797 8.376
259 HZ3 LYS 108 HZ3 LYS 108 16.102 2.045 8.548
260 H ALA 109 H ALA 109 19.529 5.471 14.261
261 HA ALA 109 HA ALA 109 21.058 3.366 15.511
262 HB1 ALA 109 HB1 ALA 109 21.716 6.310 15.058
263 HB2 ALA 109 HB2 ALA 109 22.881 5.017 15.415
264 HB3 ALA 109 HB3 ALA 109 21.976 4.997 13.888
265 H LYS 110 H LYS 110 19.612 6.360 16.763
266 HA LYS 110 HA LYS 110 20.838 5.934 19.428
267 HB2 LYS 110 HB2 LYS 110 19.409 8.297 18.165
268 HB3 LYS 110 HB3 LYS 110 19.889 8.255 19.868
269 HG2 LYS 110 HG2 LYS 110 22.222 7.773 19.245
270 HG3 LYS 110 HG3 LYS 110 21.817 7.840 17.530
271 HD2 LYS 110 HD2 LYS 110 21.340 10.204 19.388
272 HD3 LYS 110 HD3 LYS 110 22.918 9.883 18.662
273 HE2 LYS 110 HE2 LYS 110 21.901 9.946 16.384
274 HE3 LYS 110 HE3 LYS 110 20.333 10.346 17.106
275 HZ1 LYS 110 HZ1 LYS 110 21.270 12.428 17.914
276 HZ2 LYS 110 HZ2 LYS 110 22.787 12.012 17.475
277 HZ3 LYS 110 HZ3 LYS 110 21.687 12.320 16.320
278 H TRP 111 H TRP 111 17.620 5.472 18.169
279 HA TRP 111 HA TRP 111 16.775 4.669 20.941
280 HB2 TRP 111 HB2 TRP 111 15.162 6.064 18.780
281 HB3 TRP 111 HB3 TRP 111 14.459 5.309 20.199
282 HD1 TRP 111 HD1 TRP 111 15.184 6.254 22.636
283 HE1 TRP 111 HE1 TRP 111 15.899 8.584 23.431
284 HE3 TRP 111 HE3 TRP 111 16.229 8.338 18.114
285 HZ2 TRP 111 HZ2 TRP 111 16.876 11.035 22.246
286 HZ3 TRP 111 HZ3 TRP 111 17.137 10.674 17.964
287 HH2 TRP 111 HH2 TRP 111 17.444 12.020 20.023
288 H GLY 112 H GLY 112 17.356 3.436 17.839
289 HA2 GLY 112 HA2 GLY 112 17.401 1.095 17.524
290 HA3 GLY 112 HA3 GLY 112 15.974 0.881 18.529
291 HA PRO 113 HA PRO 113 15.006 1.932 13.881
292 HB2 PRO 113 HB2 PRO 113 15.200 -0.537 12.569
293 HB3 PRO 113 HB3 PRO 113 16.430 0.754 12.568
294 HG2 PRO 113 HG2 PRO 113 16.328 -1.708 14.286
295 HG3 PRO 113 HG3 PRO 113 17.738 -0.916 13.478
296 HD2 PRO 113 HD2 PRO 113 17.219 -0.617 16.121
297 HD3 PRO 113 HD3 PRO 113 17.902 0.704 15.127
298 H GLU 114 H GLU 114 14.208 -1.036 15.742
299 HA GLU 114 HA GLU 114 11.605 -1.410 14.624
300 HB2 GLU 114 HB2 GLU 114 12.829 -2.253 17.277
301 HB3 GLU 114 HB3 GLU 114 11.236 -2.787 16.710
302 HG2 GLU 114 HG2 GLU 114 12.305 -3.772 14.682
303 HG3 GLU 114 HG3 GLU 114 13.893 -3.319 15.306
304 H ALA 115 H ALA 115 12.766 0.414 17.425
305 HA ALA 115 HA ALA 115 10.180 1.267 18.408
306 HB1 ALA 115 HB1 ALA 115 12.943 2.521 18.673
307 HB2 ALA 115 HB2 ALA 115 11.523 2.960 19.634
308 HB3 ALA 115 HB3 ALA 115 12.228 1.327 19.775
309 H VAL 116 H VAL 116 12.607 2.840 16.256
310 HA VAL 116 HA VAL 116 11.028 5.147 15.687
311 HB VAL 116 HB VAL 116 13.256 3.824 14.106
312 HG11 VAL 116 HG11 VAL 116 12.021 5.292 12.580
313 HG12 VAL 116 HG12 VAL 116 12.010 6.594 13.795
314 HG13 VAL 116 HG13 VAL 116 13.534 6.080 13.045
315 HG21 VAL 116 HG21 VAL 116 13.883 4.670 16.415
316 HG22 VAL 116 HG22 VAL 116 14.628 5.586 15.110
317 HG23 VAL 116 HG23 VAL 116 13.233 6.244 15.978
318 H GLU 117 H GLU 117 11.143 1.985 13.890
319 HA GLU 117 HA GLU 117 9.201 2.890 11.938
320 HB2 GLU 117 HB2 GLU 117 10.077 0.132 12.895
321 HB3 GLU 117 HB3 GLU 117 8.776 0.339 11.727
322 HG2 GLU 117 HG2 GLU 117 11.632 1.324 11.358
323 HG3 GLU 117 HG3 GLU 117 10.921 -0.107 10.608
324 H SER 118 H SER 118 8.878 1.685 15.237
325 HA SER 118 HA SER 118 5.974 1.371 15.124
326 HB2 SER 118 HB2 SER 118 7.651 1.852 17.591
327 HB3 SER 118 HB3 SER 118 5.972 1.306 17.476
328 HG SER 118 HG SER 118 8.286 -0.075 16.532
329 H TRP 119 H TRP 119 8.113 4.171 15.447
330 HA TRP 119 HA TRP 119 5.973 6.014 16.222
331 HB2 TRP 119 HB2 TRP 119 8.597 6.717 14.884
332 HB3 TRP 119 HB3 TRP 119 7.524 7.767 15.765
333 HD1 TRP 119 HD1 TRP 119 7.471 5.356 18.221
334 HE1 TRP 119 HE1 TRP 119 9.391 5.477 19.909
335 HE3 TRP 119 HE3 TRP 119 10.733 8.332 15.565
336 HZ2 TRP 119 HZ2 TRP 119 12.003 6.662 20.088
337 HZ3 TRP 119 HZ3 TRP 119 12.862 9.043 16.605
338 HH2 TRP 119 HH2 TRP 119 13.523 8.208 18.843
339 H ALA 120 H ALA 120 6.749 4.432 13.242
340 HA ALA 120 HA ALA 120 6.280 6.575 11.439
341 HB1 ALA 120 HB1 ALA 120 7.469 4.395 10.927
342 HB2 ALA 120 HB2 ALA 120 5.869 3.629 10.827
343 HB3 ALA 120 HB3 ALA 120 6.297 4.934 9.706
344 H THR 121 H THR 121 4.534 7.213 10.245
345 HA THR 121 HA THR 121 1.935 5.757 10.340
346 HB THR 121 HB THR 121 0.905 8.162 10.217
347 HG1 THR 121 HG1 THR 121 3.241 8.664 11.758
348 HG21 THR 121 HG21 THR 121 0.404 6.587 12.026
349 HG22 THR 121 HG22 THR 121 1.884 7.083 12.886
350 HG23 THR 121 HG23 THR 121 0.556 8.245 12.630
351 H LEU 122 H LEU 122 1.392 5.197 8.453
352 HA LEU 122 HA LEU 122 2.517 6.302 6.003
353 HB2 LEU 122 HB2 LEU 122 0.397 4.268 6.743
354 HB3 LEU 122 HB3 LEU 122 0.693 4.693 5.055
355 HG LEU 122 HG LEU 122 2.908 3.688 6.894
356 HD11 LEU 122 HD11 LEU 122 1.147 1.963 6.749
357 HD12 LEU 122 HD12 LEU 122 1.144 2.094 4.976
358 HD13 LEU 122 HD13 LEU 122 2.577 1.476 5.828
359 HD21 LEU 122 HD21 LEU 122 3.635 4.852 4.790
360 HD22 LEU 122 HD22 LEU 122 4.004 3.121 4.736
361 HD23 LEU 122 HD23 LEU 122 2.608 3.757 3.846
362 H LEU 123 H LEU 123 1.822 8.051 4.939
363 HA LEU 123 HA LEU 123 -0.700 9.345 5.731
364 HB2 LEU 123 HB2 LEU 123 1.419 10.276 3.749
365 HB3 LEU 123 HB3 LEU 123 0.110 11.238 4.425
366 HG LEU 123 HG LEU 123 2.585 10.217 5.875
367 HD11 LEU 123 HD11 LEU 123 1.451 13.008 5.433
368 HD12 LEU 123 HD12 LEU 123 2.982 12.595 6.230
369 HD13 LEU 123 HD13 LEU 123 2.774 12.276 4.503
370 HD21 LEU 123 HD21 LEU 123 0.079 11.545 7.022
371 HD22 LEU 123 HD22 LEU 123 0.766 9.966 7.487
372 HD23 LEU 123 HD23 LEU 123 1.630 11.450 7.876
373 H GLY 124 H GLY 124 -1.301 7.021 4.602
374 HA2 GLY 124 HA2 GLY 124 -3.298 7.478 2.738
375 HA3 GLY 124 HA3 GLY 124 -1.881 7.109 1.746
376 H HIS 125 H HIS 125 -3.836 5.463 1.347
377 HA HIS 125 HA HIS 125 -2.967 2.868 2.422
378 HB2 HIS 125 HB2 HIS 125 -5.302 2.191 2.983
379 HB3 HIS 125 HB3 HIS 125 -4.589 3.370 4.070
380 HD1 HIS 125 HD1 HIS 125 -6.351 4.287 0.771
381 HD2 HIS 125 HD2 HIS 125 -6.778 4.527 4.960
382 HE1 HIS 125 HE1 HIS 125 -8.450 5.773 1.212
383 HE2 HIS 125 HE2 HIS 125 -8.683 5.916 3.781
Start of MODEL 12
1 H ALA 79 H1 ALA 79 4.539 2.128 -1.240
2 HA ALA 79 HA ALA 79 5.018 2.608 -3.558
3 HB1 ALA 79 HB1 ALA 79 2.349 1.247 -4.124
4 HB2 ALA 79 HB2 ALA 79 3.384 2.075 -5.304
5 HB3 ALA 79 HB3 ALA 79 3.957 0.596 -4.517
6 H ARG 80 H ARG 80 4.757 4.663 -4.033
7 HA ARG 80 HA ARG 80 4.004 6.822 -4.088
8 HB2 ARG 80 HB2 ARG 80 1.448 5.439 -4.827
9 HB3 ARG 80 HB3 ARG 80 1.893 7.134 -5.118
10 HG2 ARG 80 HG2 ARG 80 3.948 6.357 -6.340
11 HG3 ARG 80 HG3 ARG 80 3.370 4.690 -6.180
12 HD2 ARG 80 HD2 ARG 80 2.738 5.423 -8.328
13 HD3 ARG 80 HD3 ARG 80 1.263 5.371 -7.331
14 HE ARG 80 HE ARG 80 2.453 8.009 -7.315
15 HH11 ARG 80 HH21 ARG 80 0.532 5.980 -9.432
16 HH12 ARG 80 HH22 ARG 80 -0.177 7.348 -10.253
17 HH21 ARG 80 HH11 ARG 80 1.513 9.707 -8.405
18 HH22 ARG 80 HH12 ARG 80 0.380 9.396 -9.686
19 H LYS 81 H LYS 81 4.047 5.927 -1.384
20 HA LYS 81 HA LYS 81 2.190 7.917 -0.141
21 HB2 LYS 81 HB2 LYS 81 2.591 5.015 0.696
22 HB3 LYS 81 HB3 LYS 81 1.971 6.248 1.804
23 HG2 LYS 81 HG2 LYS 81 0.095 6.724 0.244
24 HG3 LYS 81 HG3 LYS 81 0.667 5.427 -0.824
25 HD2 LYS 81 HD2 LYS 81 0.362 3.781 1.020
26 HD3 LYS 81 HD3 LYS 81 -0.234 5.089 2.073
27 HE2 LYS 81 HE2 LYS 81 -2.086 5.537 0.475
28 HE3 LYS 81 HE3 LYS 81 -1.483 4.264 -0.593
29 HZ1 LYS 81 HZ1 LYS 81 -2.500 3.829 2.174
30 HZ2 LYS 81 HZ2 LYS 81 -3.296 3.454 0.804
31 HZ3 LYS 81 HZ3 LYS 81 -1.934 2.647 1.188
32 H VAL 82 H VAL 82 2.800 8.652 1.869
33 HA VAL 82 HA VAL 82 5.765 8.831 2.337
34 HB VAL 82 HB VAL 82 3.425 10.670 2.989
35 HG11 VAL 82 HG11 VAL 82 4.955 10.963 4.829
36 HG12 VAL 82 HG12 VAL 82 6.356 11.048 3.721
37 HG13 VAL 82 HG13 VAL 82 5.132 12.332 3.738
38 HG21 VAL 82 HG21 VAL 82 4.160 10.706 0.630
39 HG22 VAL 82 HG22 VAL 82 4.532 12.230 1.443
40 HG23 VAL 82 HG23 VAL 82 5.825 11.050 1.151
41 H LYS 83 H LYS 83 6.622 8.280 4.278
42 HA LYS 83 HA LYS 83 4.802 7.488 6.528
43 HB2 LYS 83 HB2 LYS 83 7.674 6.728 5.880
44 HB3 LYS 83 HB3 LYS 83 6.980 6.560 7.507
45 HG2 LYS 83 HG2 LYS 83 5.182 5.136 6.653
46 HG3 LYS 83 HG3 LYS 83 5.860 5.233 5.010
47 HD2 LYS 83 HD2 LYS 83 7.861 4.068 5.673
48 HD3 LYS 83 HD3 LYS 83 7.461 4.205 7.397
49 HE2 LYS 83 HE2 LYS 83 5.500 2.765 7.130
50 HE3 LYS 83 HE3 LYS 83 5.768 2.670 5.378
51 HZ1 LYS 83 HZ1 LYS 83 7.882 1.521 5.813
52 HZ2 LYS 83 HZ2 LYS 83 7.656 1.606 7.433
53 HZ3 LYS 83 HZ3 LYS 83 6.659 0.702 6.508
54 H GLN 84 H GLN 84 4.455 9.015 7.876
55 HA GLN 84 HA GLN 84 6.351 11.224 8.471
56 HB2 GLN 84 HB2 GLN 84 4.026 11.813 8.263
57 HB3 GLN 84 HB3 GLN 84 3.520 10.465 9.270
58 HG2 GLN 84 HG2 GLN 84 4.630 11.584 11.248
59 HG3 GLN 84 HG3 GLN 84 5.006 12.959 10.202
60 HE21 GLN 84 HE22 GLN 84 2.184 10.872 11.168
61 HE22 GLN 84 HE21 GLN 84 1.062 12.231 11.277
62 H TYR 85 H TYR 85 7.394 11.345 10.453
63 HA TYR 85 HA TYR 85 7.048 9.136 12.443
64 HB2 TYR 85 HB2 TYR 85 9.710 10.226 11.435
65 HB3 TYR 85 HB3 TYR 85 9.517 9.183 12.819
66 HD1 TYR 85 HD1 TYR 85 9.090 9.310 9.091
67 HD2 TYR 85 HD2 TYR 85 9.576 6.851 12.596
68 HE1 TYR 85 HE1 TYR 85 9.486 7.314 7.653
69 HE2 TYR 85 HE2 TYR 85 10.008 4.873 11.176
70 HH TYR 85 HH TYR 85 10.174 4.066 8.984
71 H LYS 86 H LYS 86 7.400 9.799 14.580
72 HA LYS 86 HA LYS 86 8.020 12.667 15.132
73 HB2 LYS 86 HB2 LYS 86 5.569 12.316 15.241
74 HB3 LYS 86 HB3 LYS 86 5.804 10.988 16.396
75 HG2 LYS 86 HG2 LYS 86 6.678 12.514 18.077
76 HG3 LYS 86 HG3 LYS 86 6.672 13.859 16.925
77 HD2 LYS 86 HD2 LYS 86 4.195 13.701 16.759
78 HD3 LYS 86 HD3 LYS 86 4.211 12.347 17.912
79 HE2 LYS 86 HE2 LYS 86 5.245 13.833 19.629
80 HE3 LYS 86 HE3 LYS 86 5.238 15.174 18.477
81 HZ1 LYS 86 HZ1 LYS 86 3.316 15.272 19.967
82 HZ2 LYS 86 HZ2 LYS 86 2.789 15.034 18.441
83 HZ3 LYS 86 HZ3 LYS 86 2.801 13.792 19.507
84 H ASN 87 H ASN 87 9.262 13.006 16.934
85 HA ASN 87 HA ASN 87 10.403 10.545 18.242
86 HB2 ASN 87 HB2 ASN 87 11.852 11.689 16.643
87 HB3 ASN 87 HB3 ASN 87 11.766 13.175 17.584
88 HD21 ASN 87 HD22 ASN 87 14.211 11.921 17.010
89 HD22 ASN 87 HD21 ASN 87 14.841 11.234 18.508
90 HA PRO 88 HA PRO 88 8.329 12.531 21.854
91 HB2 PRO 88 HB2 PRO 88 9.283 9.827 22.828
92 HB3 PRO 88 HB3 PRO 88 7.793 10.718 23.277
93 HG2 PRO 88 HG2 PRO 88 7.685 8.735 21.442
94 HG3 PRO 88 HG3 PRO 88 6.800 10.270 21.147
95 HD2 PRO 88 HD2 PRO 88 9.416 9.352 19.967
96 HD3 PRO 88 HD3 PRO 88 8.066 10.260 19.217
97 H HIS 89 H HIS 89 11.631 11.237 21.528
98 HA HIS 89 HA HIS 89 12.532 12.208 24.138
99 HB2 HIS 89 HB2 HIS 89 14.168 11.250 21.750
100 HB3 HIS 89 HB3 HIS 89 14.738 11.462 23.396
101 HD1 HIS 89 HD1 HIS 89 13.664 9.718 25.279
102 HD2 HIS 89 HD2 HIS 89 12.979 8.936 21.187
103 HE1 HIS 89 HE1 HIS 89 12.848 7.284 25.141
104 HE2 HIS 89 HE2 HIS 89 12.430 6.805 22.645
105 H THR 90 H THR 90 12.249 13.699 20.996
106 HA THR 90 HA THR 90 13.800 16.086 21.961
107 HB THR 90 HB THR 90 14.529 16.446 19.699
108 HG1 THR 90 HG1 THR 90 13.932 15.074 18.067
109 HG21 THR 90 HG21 THR 90 15.859 14.775 21.037
110 HG22 THR 90 HG22 THR 90 14.899 13.472 20.292
111 HG23 THR 90 HG23 THR 90 15.940 14.504 19.284
112 H GLY 91 H GLY 91 10.806 15.001 20.533
113 HA2 GLY 91 HA2 GLY 91 8.803 16.239 20.465
114 HA3 GLY 91 HA3 GLY 91 9.703 17.756 20.519
115 H GLU 92 H GLU 92 11.365 16.015 18.253
116 HA GLU 92 HA GLU 92 10.380 17.577 16.069
117 HB2 GLU 92 HB2 GLU 92 12.463 15.445 16.477
118 HB3 GLU 92 HB3 GLU 92 11.888 15.704 14.829
119 HG2 GLU 92 HG2 GLU 92 12.397 17.897 14.736
120 HG3 GLU 92 HG3 GLU 92 12.734 18.038 16.487
121 H VAL 93 H VAL 93 9.508 17.050 14.120
122 HA VAL 93 HA VAL 93 8.367 14.355 13.630
123 HB VAL 93 HB VAL 93 7.172 17.039 12.894
124 HG11 VAL 93 HG11 VAL 93 6.547 15.240 11.290
125 HG12 VAL 93 HG12 VAL 93 6.025 14.213 12.644
126 HG13 VAL 93 HG13 VAL 93 5.148 15.713 12.260
127 HG21 VAL 93 HG21 VAL 93 5.373 16.553 14.518
128 HG22 VAL 93 HG22 VAL 93 6.283 15.127 15.063
129 HG23 VAL 93 HG23 VAL 93 6.962 16.769 15.268
130 H ILE 94 H ILE 94 8.662 13.628 11.560
131 HA ILE 94 HA ILE 94 9.740 15.367 9.436
132 HB ILE 94 HB ILE 94 11.479 13.704 8.823
133 HG12 ILE 94 HG12 ILE 94 10.861 12.406 11.499
134 HG13 ILE 94 HG13 ILE 94 10.511 11.725 9.911
135 HG21 ILE 94 HG21 ILE 94 13.151 14.431 10.387
136 HG22 ILE 94 HG22 ILE 94 12.010 15.748 10.107
137 HG23 ILE 94 HG23 ILE 94 11.927 14.814 11.614
138 HD11 ILE 94 HD11 ILE 94 12.486 10.677 10.820
139 HD12 ILE 94 HD12 ILE 94 12.921 11.630 9.389
140 HD13 ILE 94 HD13 ILE 94 13.291 12.235 11.037
141 H GLU 95 H GLU 95 9.762 14.273 7.380
142 HA GLU 95 HA GLU 95 7.863 12.013 6.975
143 HB2 GLU 95 HB2 GLU 95 7.750 14.796 5.738
144 HB3 GLU 95 HB3 GLU 95 7.002 13.393 4.975
145 HG2 GLU 95 HG2 GLU 95 5.480 13.077 6.802
146 HG3 GLU 95 HG3 GLU 95 6.318 14.269 7.799
147 H THR 96 H THR 96 8.453 10.627 5.437
148 HA THR 96 HA THR 96 10.254 11.374 3.217
149 HB THR 96 HB THR 96 11.928 10.791 4.797
150 HG1 THR 96 HG1 THR 96 12.810 9.009 3.803
151 HG21 THR 96 HG21 THR 96 10.649 9.644 6.549
152 HG22 THR 96 HG22 THR 96 10.335 8.274 5.454
153 HG23 THR 96 HG23 THR 96 11.989 8.627 6.006
154 H LYS 97 H LYS 97 10.356 9.694 1.553
155 HA LYS 97 HA LYS 97 7.890 8.002 1.400
156 HB2 LYS 97 HB2 LYS 97 10.019 8.688 -0.667
157 HB3 LYS 97 HB3 LYS 97 8.637 7.617 -0.950
158 HG2 LYS 97 HG2 LYS 97 7.099 9.491 -0.274
159 HG3 LYS 97 HG3 LYS 97 8.480 10.580 -0.227
160 HD2 LYS 97 HD2 LYS 97 7.486 9.006 -2.646
161 HD3 LYS 97 HD3 LYS 97 7.188 10.714 -2.363
162 HE2 LYS 97 HE2 LYS 97 9.965 9.484 -2.763
163 HE3 LYS 97 HE3 LYS 97 8.988 10.188 -4.049
164 HZ1 LYS 97 HZ1 LYS 97 10.560 11.813 -3.211
165 HZ2 LYS 97 HZ2 LYS 97 9.049 12.330 -2.881
166 HZ3 LYS 97 HZ3 LYS 97 9.990 11.711 -1.686
167 H GLY 98 H GLY 98 10.903 7.587 2.707
168 HA2 GLY 98 HA2 GLY 98 11.336 5.463 3.773
169 HA3 GLY 98 HA3 GLY 98 10.808 4.608 2.322
170 H GLY 99 H GLY 99 12.744 7.256 1.416
171 HA2 GLY 99 HA2 GLY 99 15.000 5.598 0.615
172 HA3 GLY 99 HA3 GLY 99 14.820 7.334 0.388
173 H ASN 100 H ASN 100 17.249 6.717 0.923
174 HA ASN 100 HA ASN 100 18.053 6.472 3.678
175 HB2 ASN 100 HB2 ASN 100 19.461 5.798 1.760
176 HB3 ASN 100 HB3 ASN 100 19.552 7.479 1.222
177 HD21 ASN 100 HD22 ASN 100 21.893 7.342 1.396
178 HD22 ASN 100 HD21 ASN 100 22.651 7.432 2.980
179 H HIS 101 H HIS 101 16.736 7.986 4.747
180 HA HIS 101 HA HIS 101 17.327 10.896 4.405
181 HB2 HIS 101 HB2 HIS 101 14.993 9.992 4.248
182 HB3 HIS 101 HB3 HIS 101 15.079 9.493 5.930
183 HD1 HIS 101 HD1 HIS 101 14.832 11.515 7.734
184 HD2 HIS 101 HD2 HIS 101 14.762 12.595 3.666
185 HE1 HIS 101 HE1 HIS 101 14.256 14.038 7.667
186 HE2 HIS 101 HE2 HIS 101 14.148 14.663 5.164
187 H LYS 102 H LYS 102 19.260 11.155 5.456
188 HA LYS 102 HA LYS 102 20.432 9.861 7.502
189 HB2 LYS 102 HB2 LYS 102 21.461 11.615 6.120
190 HB3 LYS 102 HB3 LYS 102 20.544 12.854 6.963
191 HG2 LYS 102 HG2 LYS 102 22.820 12.866 7.720
192 HG3 LYS 102 HG3 LYS 102 21.787 12.380 9.058
193 HD2 LYS 102 HD2 LYS 102 22.456 10.014 8.754
194 HD3 LYS 102 HD3 LYS 102 23.406 10.464 7.316
195 HE2 LYS 102 HE2 LYS 102 24.781 11.998 8.746
196 HE3 LYS 102 HE3 LYS 102 23.876 11.469 10.166
197 HZ1 LYS 102 HZ1 LYS 102 25.968 10.242 9.935
198 HZ2 LYS 102 HZ2 LYS 102 24.729 9.194 9.759
199 HZ3 LYS 102 HZ3 LYS 102 25.566 9.713 8.446
200 H THR 103 H THR 103 18.282 12.645 8.242
201 HA THR 103 HA THR 103 18.530 12.599 11.036
202 HB THR 103 HB THR 103 15.981 13.196 9.479
203 HG1 THR 103 HG1 THR 103 16.873 15.321 9.393
204 HG21 THR 103 HG21 THR 103 17.015 14.310 12.121
205 HG22 THR 103 HG22 THR 103 15.572 14.876 11.240
206 HG23 THR 103 HG23 THR 103 15.605 13.246 11.914
207 H LEU 104 H LEU 104 16.519 10.439 9.041
208 HA LEU 104 HA LEU 104 15.068 9.279 11.330
209 HB2 LEU 104 HB2 LEU 104 14.108 9.345 9.015
210 HB3 LEU 104 HB3 LEU 104 15.440 8.334 8.440
211 HG LEU 104 HG LEU 104 14.661 6.506 9.976
212 HD11 LEU 104 HD11 LEU 104 12.249 8.327 10.379
213 HD12 LEU 104 HD12 LEU 104 12.385 6.637 10.890
214 HD13 LEU 104 HD13 LEU 104 13.412 7.859 11.644
215 HD21 LEU 104 HD21 LEU 104 12.526 7.519 8.062
216 HD22 LEU 104 HD22 LEU 104 13.980 6.606 7.583
217 HD23 LEU 104 HD23 LEU 104 12.757 5.851 8.615
218 H LYS 105 H LYS 105 17.848 8.379 9.205
219 HA LYS 105 HA LYS 105 18.493 5.929 10.441
220 HB2 LYS 105 HB2 LYS 105 19.449 7.124 8.304
221 HB3 LYS 105 HB3 LYS 105 20.627 7.827 9.449
222 HG2 LYS 105 HG2 LYS 105 21.307 5.549 10.140
223 HG3 LYS 105 HG3 LYS 105 20.081 4.852 9.057
224 HD2 LYS 105 HD2 LYS 105 21.244 5.856 7.099
225 HD3 LYS 105 HD3 LYS 105 22.486 6.522 8.187
226 HE2 LYS 105 HE2 LYS 105 23.065 4.218 8.934
227 HE3 LYS 105 HE3 LYS 105 21.808 3.553 7.888
228 HZ1 LYS 105 HZ1 LYS 105 23.991 3.431 6.829
229 HZ2 LYS 105 HZ2 LYS 105 23.036 4.425 5.959
230 HZ3 LYS 105 HZ3 LYS 105 24.209 5.043 6.925
231 H GLU 106 H GLU 106 19.633 9.206 11.292
232 HA GLU 106 HA GLU 106 21.160 8.458 13.530
233 HB2 GLU 106 HB2 GLU 106 19.652 10.977 12.779
234 HB3 GLU 106 HB3 GLU 106 20.313 10.822 14.408
235 HG2 GLU 106 HG2 GLU 106 22.536 10.328 13.490
236 HG3 GLU 106 HG3 GLU 106 21.902 10.535 11.841
237 H TRP 107 H TRP 107 17.649 9.174 13.404
238 HA TRP 107 HA TRP 107 17.204 8.710 16.187
239 HB2 TRP 107 HB2 TRP 107 15.270 8.392 13.861
240 HB3 TRP 107 HB3 TRP 107 14.826 8.397 15.552
241 HD1 TRP 107 HD1 TRP 107 17.332 11.036 15.279
242 HE1 TRP 107 HE1 TRP 107 16.289 13.346 15.024
243 HE3 TRP 107 HE3 TRP 107 12.528 9.647 14.087
244 HZ2 TRP 107 HZ2 TRP 107 13.767 14.461 14.355
245 HZ3 TRP 107 HZ3 TRP 107 10.806 11.402 13.707
246 HH2 TRP 107 HH2 TRP 107 11.415 13.828 13.848
247 H LYS 108 H LYS 108 17.163 6.403 13.453
248 HA LYS 108 HA LYS 108 16.338 4.078 14.985
249 HB2 LYS 108 HB2 LYS 108 18.038 4.258 12.448
250 HB3 LYS 108 HB3 LYS 108 17.334 2.761 13.117
251 HG2 LYS 108 HG2 LYS 108 15.054 3.742 12.838
252 HG3 LYS 108 HG3 LYS 108 15.758 5.175 12.131
253 HD2 LYS 108 HD2 LYS 108 15.510 4.202 10.126
254 HD3 LYS 108 HD3 LYS 108 16.901 3.195 10.542
255 HE2 LYS 108 HE2 LYS 108 15.292 1.578 11.641
256 HE3 LYS 108 HE3 LYS 108 13.947 2.569 11.046
257 HZ1 LYS 108 HZ1 LYS 108 15.926 1.126 9.326
258 HZ2 LYS 108 HZ2 LYS 108 14.354 0.708 9.573
259 HZ3 LYS 108 HZ3 LYS 108 14.723 2.083 8.752
260 H ALA 109 H ALA 109 19.533 5.487 14.329
261 HA ALA 109 HA ALA 109 21.019 3.428 15.718
262 HB1 ALA 109 HB1 ALA 109 21.738 6.316 15.040
263 HB2 ALA 109 HB2 ALA 109 22.880 5.041 15.519
264 HB3 ALA 109 HB3 ALA 109 21.983 4.897 13.994
265 H LYS 110 H LYS 110 19.672 6.561 16.742
266 HA LYS 110 HA LYS 110 20.890 6.489 19.399
267 HB2 LYS 110 HB2 LYS 110 18.839 8.298 18.082
268 HB3 LYS 110 HB3 LYS 110 19.427 8.551 19.735
269 HG2 LYS 110 HG2 LYS 110 21.701 8.887 18.983
270 HG3 LYS 110 HG3 LYS 110 21.294 8.400 17.335
271 HD2 LYS 110 HD2 LYS 110 19.662 10.378 17.264
272 HD3 LYS 110 HD3 LYS 110 20.392 10.917 18.791
273 HE2 LYS 110 HE2 LYS 110 22.647 10.873 17.638
274 HE3 LYS 110 HE3 LYS 110 21.833 10.450 16.127
275 HZ1 LYS 110 HZ1 LYS 110 22.033 12.747 15.997
276 HZ2 LYS 110 HZ2 LYS 110 20.511 12.626 16.543
277 HZ3 LYS 110 HZ3 LYS 110 21.702 13.020 17.595
278 H TRP 111 H TRP 111 17.647 5.709 18.240
279 HA TRP 111 HA TRP 111 16.864 4.909 21.018
280 HB2 TRP 111 HB2 TRP 111 15.233 6.336 18.890
281 HB3 TRP 111 HB3 TRP 111 14.592 5.735 20.415
282 HD1 TRP 111 HD1 TRP 111 15.935 6.670 22.697
283 HE1 TRP 111 HE1 TRP 111 16.852 9.002 23.232
284 HE3 TRP 111 HE3 TRP 111 15.941 8.639 17.981
285 HZ2 TRP 111 HZ2 TRP 111 17.661 11.363 21.780
286 HZ3 TRP 111 HZ3 TRP 111 16.883 10.924 17.579
287 HH2 TRP 111 HH2 TRP 111 17.730 12.283 19.469
288 H GLY 112 H GLY 112 17.386 3.520 18.041
289 HA2 GLY 112 HA2 GLY 112 17.323 1.163 17.904
290 HA3 GLY 112 HA3 GLY 112 15.855 1.094 18.858
291 HA PRO 113 HA PRO 113 15.076 1.845 14.115
292 HB2 PRO 113 HB2 PRO 113 15.402 -0.690 12.937
293 HB3 PRO 113 HB3 PRO 113 16.585 0.646 12.892
294 HG2 PRO 113 HG2 PRO 113 16.509 -1.713 14.750
295 HG3 PRO 113 HG3 PRO 113 17.922 -0.915 13.937
296 HD2 PRO 113 HD2 PRO 113 17.318 -0.497 16.537
297 HD3 PRO 113 HD3 PRO 113 17.956 0.808 15.485
298 H GLU 114 H GLU 114 14.262 -1.084 16.035
299 HA GLU 114 HA GLU 114 11.727 -1.509 14.788
300 HB2 GLU 114 HB2 GLU 114 12.822 -2.304 17.516
301 HB3 GLU 114 HB3 GLU 114 11.261 -2.855 16.882
302 HG2 GLU 114 HG2 GLU 114 12.415 -3.864 14.921
303 HG3 GLU 114 HG3 GLU 114 13.973 -3.382 15.596
304 H ALA 115 H ALA 115 12.719 0.368 17.622
305 HA ALA 115 HA ALA 115 10.075 1.198 18.462
306 HB1 ALA 115 HB1 ALA 115 12.813 2.493 18.849
307 HB2 ALA 115 HB2 ALA 115 11.334 2.944 19.711
308 HB3 ALA 115 HB3 ALA 115 12.039 1.325 19.938
309 H VAL 116 H VAL 116 12.590 2.802 16.436
310 HA VAL 116 HA VAL 116 11.009 5.075 15.771
311 HB VAL 116 HB VAL 116 13.369 3.795 14.373
312 HG11 VAL 116 HG11 VAL 116 12.130 6.553 13.931
313 HG12 VAL 116 HG12 VAL 116 13.695 6.012 13.283
314 HG13 VAL 116 HG13 VAL 116 12.200 5.235 12.741
315 HG21 VAL 116 HG21 VAL 116 13.804 4.663 16.704
316 HG22 VAL 116 HG22 VAL 116 14.641 5.572 15.462
317 HG23 VAL 116 HG23 VAL 116 13.185 6.230 16.205
318 H GLU 117 H GLU 117 11.306 1.914 14.012
319 HA GLU 117 HA GLU 117 9.535 2.764 11.874
320 HB2 GLU 117 HB2 GLU 117 10.421 0.050 12.910
321 HB3 GLU 117 HB3 GLU 117 9.248 0.223 11.595
322 HG2 GLU 117 HG2 GLU 117 10.817 1.510 10.254
323 HG3 GLU 117 HG3 GLU 117 12.004 1.520 11.545
324 H SER 118 H SER 118 8.942 1.667 15.157
325 HA SER 118 HA SER 118 6.052 1.297 14.774
326 HB2 SER 118 HB2 SER 118 7.510 1.731 17.385
327 HB3 SER 118 HB3 SER 118 5.858 1.169 17.121
328 HG SER 118 HG SER 118 8.267 -0.167 16.382
329 H TRP 119 H TRP 119 8.160 4.098 15.315
330 HA TRP 119 HA TRP 119 6.004 5.924 16.050
331 HB2 TRP 119 HB2 TRP 119 8.647 6.635 14.747
332 HB3 TRP 119 HB3 TRP 119 7.560 7.695 15.598
333 HD1 TRP 119 HD1 TRP 119 7.510 5.227 18.038
334 HE1 TRP 119 HE1 TRP 119 9.374 5.405 19.777
335 HE3 TRP 119 HE3 TRP 119 10.716 8.356 15.497
336 HZ2 TRP 119 HZ2 TRP 119 11.938 6.670 20.024
337 HZ3 TRP 119 HZ3 TRP 119 12.802 9.125 16.582
338 HH2 TRP 119 HH2 TRP 119 13.442 8.288 18.826
339 H ALA 120 H ALA 120 6.902 4.440 13.045
340 HA ALA 120 HA ALA 120 6.355 6.535 11.244
341 HB1 ALA 120 HB1 ALA 120 5.937 3.573 10.708
342 HB2 ALA 120 HB2 ALA 120 6.271 4.850 9.516
343 HB3 ALA 120 HB3 ALA 120 7.516 4.378 10.693
344 H THR 121 H THR 121 4.566 7.266 10.172
345 HA THR 121 HA THR 121 1.952 5.827 10.294
346 HB THR 121 HB THR 121 0.948 8.238 10.308
347 HG1 THR 121 HG1 THR 121 3.382 8.682 11.714
348 HG21 THR 121 HG21 THR 121 2.065 7.082 12.890
349 HG22 THR 121 HG22 THR 121 0.737 8.259 12.744
350 HG23 THR 121 HG23 THR 121 0.536 6.620 12.102
351 H LEU 122 H LEU 122 1.227 5.412 8.418
352 HA LEU 122 HA LEU 122 2.320 6.573 5.974
353 HB2 LEU 122 HB2 LEU 122 0.145 4.575 6.688
354 HB3 LEU 122 HB3 LEU 122 0.423 5.066 5.012
355 HG LEU 122 HG LEU 122 2.627 3.898 6.766
356 HD11 LEU 122 HD11 LEU 122 0.793 2.453 4.797
357 HD12 LEU 122 HD12 LEU 122 2.211 1.751 5.610
358 HD13 LEU 122 HD13 LEU 122 0.803 2.244 6.561
359 HD21 LEU 122 HD21 LEU 122 2.298 4.151 3.729
360 HD22 LEU 122 HD22 LEU 122 3.388 5.133 4.724
361 HD23 LEU 122 HD23 LEU 122 3.668 3.393 4.561
362 H LEU 123 H LEU 123 1.748 8.499 5.227
363 HA LEU 123 HA LEU 123 -0.752 9.809 6.010
364 HB2 LEU 123 HB2 LEU 123 1.324 10.649 3.941
365 HB3 LEU 123 HB3 LEU 123 0.047 11.650 4.622
366 HG LEU 123 HG LEU 123 2.541 10.626 6.040
367 HD11 LEU 123 HD11 LEU 123 1.452 13.425 5.526
368 HD12 LEU 123 HD12 LEU 123 2.986 13.005 6.317
369 HD13 LEU 123 HD13 LEU 123 2.748 12.632 4.606
370 HD21 LEU 123 HD21 LEU 123 0.099 12.045 7.208
371 HD22 LEU 123 HD22 LEU 123 0.759 10.468 7.706
372 HD23 LEU 123 HD23 LEU 123 1.668 11.941 8.027
373 H GLY 124 H GLY 124 -2.281 10.701 4.430
374 HA2 GLY 124 HA2 GLY 124 -2.504 9.854 1.719
375 HA3 GLY 124 HA3 GLY 124 -3.468 8.775 2.728
376 H HIS 125 H HIS 125 -4.927 9.977 0.985
377 HA HIS 125 HA HIS 125 -6.574 11.940 2.445
378 HB2 HIS 125 HB2 HIS 125 -5.099 13.359 1.303
379 HB3 HIS 125 HB3 HIS 125 -5.333 12.525 -0.242
380 HD1 HIS 125 HD1 HIS 125 -7.732 12.997 -1.483
381 HD2 HIS 125 HD2 HIS 125 -6.934 15.142 2.068
382 HE1 HIS 125 HE1 HIS 125 -9.455 14.917 -1.388
383 HE2 HIS 125 HE2 HIS 125 -8.968 16.217 0.786
Start of MODEL 13
1 H ALA 79 H1 ALA 79 1.525 1.185 -0.675
2 HA ALA 79 HA ALA 79 3.640 0.450 -1.585
3 HB1 ALA 79 HB1 ALA 79 2.736 -0.732 -3.548
4 HB2 ALA 79 HB2 ALA 79 2.301 0.816 -4.305
5 HB3 ALA 79 HB3 ALA 79 4.006 0.410 -4.008
6 H ARG 80 H ARG 80 5.122 1.939 -1.392
7 HA ARG 80 HA ARG 80 6.290 3.867 -1.329
8 HB2 ARG 80 HB2 ARG 80 5.070 4.264 -4.057
9 HB3 ARG 80 HB3 ARG 80 6.535 5.025 -3.399
10 HG2 ARG 80 HG2 ARG 80 7.527 2.792 -3.018
11 HG3 ARG 80 HG3 ARG 80 6.134 2.039 -3.818
12 HD2 ARG 80 HD2 ARG 80 6.628 3.318 -5.882
13 HD3 ARG 80 HD3 ARG 80 8.044 4.045 -5.085
14 HE ARG 80 HE ARG 80 8.298 1.230 -4.876
15 HH11 ARG 80 HH11 ARG 80 8.396 3.610 -7.447
16 HH12 ARG 80 HH12 ARG 80 9.450 2.639 -8.438
17 HH21 ARG 80 HH21 ARG 80 9.632 0.031 -6.194
18 HH22 ARG 80 HH22 ARG 80 10.125 0.657 -7.739
19 H LYS 81 H LYS 81 3.586 4.210 -0.119
20 HA LYS 81 HA LYS 81 3.068 7.126 -0.285
21 HB2 LYS 81 HB2 LYS 81 2.010 4.841 1.391
22 HB3 LYS 81 HB3 LYS 81 1.879 6.483 2.009
23 HG2 LYS 81 HG2 LYS 81 -0.161 5.758 0.836
24 HG3 LYS 81 HG3 LYS 81 0.554 7.230 0.193
25 HD2 LYS 81 HD2 LYS 81 1.492 5.989 -1.722
26 HD3 LYS 81 HD3 LYS 81 0.816 4.476 -1.069
27 HE2 LYS 81 HE2 LYS 81 -1.460 5.375 -1.283
28 HE3 LYS 81 HE3 LYS 81 -0.822 6.946 -1.797
29 HZ1 LYS 81 HZ1 LYS 81 -1.525 5.629 -3.712
30 HZ2 LYS 81 HZ2 LYS 81 0.088 5.854 -3.791
31 HZ3 LYS 81 HZ3 LYS 81 -0.521 4.407 -3.329
32 H VAL 82 H VAL 82 3.387 8.590 1.347
33 HA VAL 82 HA VAL 82 6.075 8.624 2.436
34 HB VAL 82 HB VAL 82 3.638 10.388 2.875
35 HG11 VAL 82 HG11 VAL 82 6.487 10.855 3.839
36 HG12 VAL 82 HG12 VAL 82 5.230 12.104 3.744
37 HG13 VAL 82 HG13 VAL 82 5.007 10.741 4.835
38 HG21 VAL 82 HG21 VAL 82 4.661 10.380 0.571
39 HG22 VAL 82 HG22 VAL 82 4.821 11.950 1.383
40 HG23 VAL 82 HG23 VAL 82 6.215 10.852 1.297
41 H LYS 83 H LYS 83 6.836 8.092 4.380
42 HA LYS 83 HA LYS 83 4.968 7.307 6.594
43 HB2 LYS 83 HB2 LYS 83 7.891 6.642 6.057
44 HB3 LYS 83 HB3 LYS 83 7.148 6.497 7.662
45 HG2 LYS 83 HG2 LYS 83 5.446 4.962 6.788
46 HG3 LYS 83 HG3 LYS 83 6.204 5.022 5.180
47 HD2 LYS 83 HD2 LYS 83 8.243 4.019 6.027
48 HD3 LYS 83 HD3 LYS 83 7.691 4.168 7.706
49 HE2 LYS 83 HE2 LYS 83 5.893 2.579 7.354
50 HE3 LYS 83 HE3 LYS 83 6.256 2.479 5.619
51 HZ1 LYS 83 HZ1 LYS 83 8.405 1.485 6.162
52 HZ2 LYS 83 HZ2 LYS 83 8.150 1.607 7.777
53 HZ3 LYS 83 HZ3 LYS 83 7.228 0.601 6.865
54 H GLN 84 H GLN 84 4.532 8.867 7.886
55 HA GLN 84 HA GLN 84 6.348 11.150 8.467
56 HB2 GLN 84 HB2 GLN 84 4.004 11.669 8.151
57 HB3 GLN 84 HB3 GLN 84 3.508 10.345 9.191
58 HG2 GLN 84 HG2 GLN 84 4.506 11.558 11.160
59 HG3 GLN 84 HG3 GLN 84 4.902 12.909 10.078
60 HE21 GLN 84 HE22 GLN 84 2.095 10.792 11.014
61 HE22 GLN 84 HE21 GLN 84 0.933 12.120 11.022
62 H TYR 85 H TYR 85 7.318 11.359 10.489
63 HA TYR 85 HA TYR 85 6.954 9.193 12.520
64 HB2 TYR 85 HB2 TYR 85 9.636 10.274 11.570
65 HB3 TYR 85 HB3 TYR 85 9.399 9.187 12.913
66 HD1 TYR 85 HD2 TYR 85 9.160 9.472 9.187
67 HD2 TYR 85 HD1 TYR 85 9.347 6.835 12.596
68 HE1 TYR 85 HE2 TYR 85 9.657 7.547 7.690
69 HE2 TYR 85 HE1 TYR 85 9.878 4.921 11.108
70 HH TYR 85 HH TYR 85 10.324 4.262 8.947
71 H LYS 86 H LYS 86 7.427 9.875 14.647
72 HA LYS 86 HA LYS 86 8.027 12.755 15.137
73 HB2 LYS 86 HB2 LYS 86 5.585 12.436 15.288
74 HB3 LYS 86 HB3 LYS 86 5.820 11.113 16.448
75 HG2 LYS 86 HG2 LYS 86 6.730 12.668 18.103
76 HG3 LYS 86 HG3 LYS 86 6.680 13.997 16.937
77 HD2 LYS 86 HD2 LYS 86 4.203 13.791 16.817
78 HD3 LYS 86 HD3 LYS 86 4.267 12.468 18.005
79 HE2 LYS 86 HE2 LYS 86 5.316 14.013 19.658
80 HE3 LYS 86 HE3 LYS 86 5.250 15.325 18.473
81 HZ1 LYS 86 HZ1 LYS 86 2.864 13.918 19.577
82 HZ2 LYS 86 HZ2 LYS 86 3.357 15.413 20.008
83 HZ3 LYS 86 HZ3 LYS 86 2.815 15.144 18.495
84 H ASN 87 H ASN 87 9.289 13.131 16.934
85 HA ASN 87 HA ASN 87 10.366 10.707 18.356
86 HB2 ASN 87 HB2 ASN 87 11.886 11.661 16.690
87 HB3 ASN 87 HB3 ASN 87 11.887 13.199 17.556
88 HD21 ASN 87 HD22 ASN 87 14.293 12.128 17.197
89 HD22 ASN 87 HD21 ASN 87 14.865 11.329 18.656
90 HA PRO 88 HA PRO 88 8.325 13.011 21.783
91 HB2 PRO 88 HB2 PRO 88 9.204 10.372 22.981
92 HB3 PRO 88 HB3 PRO 88 7.728 11.327 23.335
93 HG2 PRO 88 HG2 PRO 88 7.604 9.217 21.646
94 HG3 PRO 88 HG3 PRO 88 6.760 10.751 21.224
95 HD2 PRO 88 HD2 PRO 88 9.377 9.682 20.182
96 HD3 PRO 88 HD3 PRO 88 8.065 10.549 19.321
97 H HIS 89 H HIS 89 11.597 11.651 21.645
98 HA HIS 89 HA HIS 89 12.576 12.682 24.145
99 HB2 HIS 89 HB2 HIS 89 14.150 12.096 21.598
100 HB3 HIS 89 HB3 HIS 89 14.799 12.238 23.225
101 HD1 HIS 89 HD1 HIS 89 13.146 9.737 20.950
102 HD2 HIS 89 HD2 HIS 89 14.026 10.272 25.052
103 HE1 HIS 89 HE1 HIS 89 12.821 7.422 22.096
104 HE2 HIS 89 HE2 HIS 89 13.362 7.773 24.584
105 H THR 90 H THR 90 12.205 14.237 20.998
106 HA THR 90 HA THR 90 13.309 16.796 22.111
107 HB THR 90 HB THR 90 14.096 17.308 19.869
108 HG1 THR 90 HG1 THR 90 13.868 15.899 18.231
109 HG21 THR 90 HG21 THR 90 15.585 15.886 21.342
110 HG22 THR 90 HG22 THR 90 14.925 14.444 20.524
111 HG23 THR 90 HG23 THR 90 15.850 15.649 19.600
112 H GLY 91 H GLY 91 10.561 15.311 20.593
113 HA2 GLY 91 HA2 GLY 91 8.429 16.256 20.296
114 HA3 GLY 91 HA3 GLY 91 9.101 17.886 20.422
115 H GLU 92 H GLU 92 11.119 16.207 18.325
116 HA GLU 92 HA GLU 92 10.326 17.650 16.011
117 HB2 GLU 92 HB2 GLU 92 12.276 15.460 16.669
118 HB3 GLU 92 HB3 GLU 92 11.847 15.651 14.977
119 HG2 GLU 92 HG2 GLU 92 12.516 17.777 14.768
120 HG3 GLU 92 HG3 GLU 92 12.593 18.096 16.523
121 H VAL 93 H VAL 93 9.531 17.083 14.057
122 HA VAL 93 HA VAL 93 8.324 14.412 13.593
123 HB VAL 93 HB VAL 93 7.188 17.113 12.837
124 HG11 VAL 93 HG11 VAL 93 5.964 14.322 12.605
125 HG12 VAL 93 HG12 VAL 93 5.136 15.847 12.216
126 HG13 VAL 93 HG13 VAL 93 6.513 15.324 11.243
127 HG21 VAL 93 HG21 VAL 93 5.370 16.669 14.459
128 HG22 VAL 93 HG22 VAL 93 6.267 15.235 15.027
129 HG23 VAL 93 HG23 VAL 93 6.966 16.869 15.200
130 H ILE 94 H ILE 94 8.602 13.657 11.523
131 HA ILE 94 HA ILE 94 9.717 15.345 9.373
132 HB ILE 94 HB ILE 94 11.457 13.661 8.823
133 HG12 ILE 94 HG12 ILE 94 10.845 12.468 11.553
134 HG13 ILE 94 HG13 ILE 94 10.499 11.717 9.996
135 HG21 ILE 94 HG21 ILE 94 11.953 15.763 10.058
136 HG22 ILE 94 HG22 ILE 94 11.905 14.844 11.582
137 HG23 ILE 94 HG23 ILE 94 13.122 14.473 10.341
138 HD11 ILE 94 HD11 ILE 94 13.277 12.313 11.078
139 HD12 ILE 94 HD12 ILE 94 12.484 10.743 10.974
140 HD13 ILE 94 HD13 ILE 94 12.902 11.601 9.476
141 H GLU 95 H GLU 95 9.747 14.229 7.347
142 HA GLU 95 HA GLU 95 7.914 11.911 6.957
143 HB2 GLU 95 HB2 GLU 95 7.719 14.672 5.684
144 HB3 GLU 95 HB3 GLU 95 7.052 13.238 4.911
145 HG2 GLU 95 HG2 GLU 95 5.505 12.857 6.709
146 HG3 GLU 95 HG3 GLU 95 6.253 14.113 7.701
147 H THR 96 H THR 96 8.548 10.525 5.434
148 HA THR 96 HA THR 96 10.314 11.308 3.202
149 HB THR 96 HB THR 96 12.016 10.799 4.755
150 HG1 THR 96 HG1 THR 96 12.935 9.002 3.794
151 HG21 THR 96 HG21 THR 96 12.160 8.663 6.012
152 HG22 THR 96 HG22 THR 96 10.795 9.653 6.552
153 HG23 THR 96 HG23 THR 96 10.517 8.252 5.484
154 H LYS 97 H LYS 97 10.397 9.657 1.517
155 HA LYS 97 HA LYS 97 8.003 7.878 1.421
156 HB2 LYS 97 HB2 LYS 97 10.109 8.631 -0.647
157 HB3 LYS 97 HB3 LYS 97 8.790 7.487 -0.938
158 HG2 LYS 97 HG2 LYS 97 7.127 9.235 -0.340
159 HG3 LYS 97 HG3 LYS 97 8.429 10.419 -0.172
160 HD2 LYS 97 HD2 LYS 97 7.738 8.911 -2.734
161 HD3 LYS 97 HD3 LYS 97 7.247 10.567 -2.343
162 HE2 LYS 97 HE2 LYS 97 9.655 11.232 -2.188
163 HE3 LYS 97 HE3 LYS 97 10.127 9.595 -2.656
164 HZ1 LYS 97 HZ1 LYS 97 10.099 11.080 -4.577
165 HZ2 LYS 97 HZ2 LYS 97 8.956 9.936 -4.778
166 HZ3 LYS 97 HZ3 LYS 97 8.523 11.457 -4.347
167 H GLY 98 H GLY 98 11.050 7.541 2.695
168 HA2 GLY 98 HA2 GLY 98 11.503 5.413 3.784
169 HA3 GLY 98 HA3 GLY 98 11.022 4.556 2.323
170 H GLY 99 H GLY 99 12.876 7.237 1.401
171 HA2 GLY 99 HA2 GLY 99 15.201 5.647 0.660
172 HA3 GLY 99 HA3 GLY 99 14.971 7.374 0.413
173 H ASN 100 H ASN 100 17.407 6.847 0.989
174 HA ASN 100 HA ASN 100 18.173 6.617 3.747
175 HB2 ASN 100 HB2 ASN 100 19.629 5.985 1.862
176 HB3 ASN 100 HB3 ASN 100 19.680 7.663 1.318
177 HD21 ASN 100 HD22 ASN 100 22.018 7.636 1.528
178 HD22 ASN 100 HD21 ASN 100 22.751 7.733 3.122
179 H HIS 101 H HIS 101 16.795 8.102 4.814
180 HA HIS 101 HA HIS 101 17.353 11.022 4.505
181 HB2 HIS 101 HB2 HIS 101 15.028 10.082 4.341
182 HB3 HIS 101 HB3 HIS 101 15.125 9.595 6.027
183 HD1 HIS 101 HD1 HIS 101 14.811 11.601 7.817
184 HD2 HIS 101 HD2 HIS 101 14.832 12.704 3.751
185 HE1 HIS 101 HE1 HIS 101 14.238 14.122 7.756
186 HE2 HIS 101 HE2 HIS 101 14.169 14.760 5.249
187 H LYS 102 H LYS 102 19.294 11.285 5.573
188 HA LYS 102 HA LYS 102 20.422 9.936 7.622
189 HB2 LYS 102 HB2 LYS 102 21.524 11.638 6.245
190 HB3 LYS 102 HB3 LYS 102 20.646 12.922 7.063
191 HG2 LYS 102 HG2 LYS 102 22.928 12.838 7.829
192 HG3 LYS 102 HG3 LYS 102 21.850 12.445 9.164
193 HD2 LYS 102 HD2 LYS 102 22.355 10.031 8.888
194 HD3 LYS 102 HD3 LYS 102 23.403 10.381 7.510
195 HE2 LYS 102 HE2 LYS 102 23.820 11.440 10.351
196 HE3 LYS 102 HE3 LYS 102 24.557 9.961 9.729
197 HZ1 LYS 102 HZ1 LYS 102 25.696 11.316 8.032
198 HZ2 LYS 102 HZ2 LYS 102 25.048 12.695 8.638
199 HZ3 LYS 102 HZ3 LYS 102 26.092 11.820 9.532
200 H THR 103 H THR 103 18.289 12.735 8.328
201 HA THR 103 HA THR 103 18.528 12.688 11.133
202 HB THR 103 HB THR 103 15.990 13.299 9.551
203 HG1 THR 103 HG1 THR 103 16.876 15.425 9.498
204 HG21 THR 103 HG21 THR 103 16.982 14.384 12.224
205 HG22 THR 103 HG22 THR 103 15.552 14.955 11.330
206 HG23 THR 103 HG23 THR 103 15.581 13.313 11.982
207 H LEU 104 H LEU 104 16.537 10.535 9.116
208 HA LEU 104 HA LEU 104 15.116 9.331 11.419
209 HB2 LEU 104 HB2 LEU 104 14.165 9.446 9.047
210 HB3 LEU 104 HB3 LEU 104 15.453 8.356 8.531
211 HG LEU 104 HG LEU 104 14.561 6.689 10.272
212 HD11 LEU 104 HD11 LEU 104 13.191 8.257 11.622
213 HD12 LEU 104 HD12 LEU 104 12.156 8.552 10.199
214 HD13 LEU 104 HD13 LEU 104 12.223 6.948 10.937
215 HD21 LEU 104 HD21 LEU 104 12.806 5.875 8.819
216 HD22 LEU 104 HD22 LEU 104 12.673 7.458 8.025
217 HD23 LEU 104 HD23 LEU 104 14.149 6.477 7.837
218 H LYS 105 H LYS 105 17.882 8.518 9.233
219 HA LYS 105 HA LYS 105 18.556 6.029 10.382
220 HB2 LYS 105 HB2 LYS 105 19.514 7.280 8.296
221 HB3 LYS 105 HB3 LYS 105 20.658 8.006 9.464
222 HG2 LYS 105 HG2 LYS 105 21.398 5.739 10.129
223 HG3 LYS 105 HG3 LYS 105 20.229 5.023 8.998
224 HD2 LYS 105 HD2 LYS 105 21.401 6.131 7.102
225 HD3 LYS 105 HD3 LYS 105 22.584 6.819 8.236
226 HE2 LYS 105 HE2 LYS 105 23.235 4.525 8.943
227 HE3 LYS 105 HE3 LYS 105 22.051 3.837 7.824
228 HZ1 LYS 105 HZ1 LYS 105 23.314 4.847 5.979
229 HZ2 LYS 105 HZ2 LYS 105 24.417 5.468 7.019
230 HZ3 LYS 105 HZ3 LYS 105 24.278 3.854 6.840
231 H GLU 106 H GLU 106 19.649 9.285 11.355
232 HA GLU 106 HA GLU 106 21.183 8.482 13.566
233 HB2 GLU 106 HB2 GLU 106 19.663 11.011 12.887
234 HB3 GLU 106 HB3 GLU 106 20.317 10.812 14.515
235 HG2 GLU 106 HG2 GLU 106 22.547 10.345 13.589
236 HG3 GLU 106 HG3 GLU 106 21.908 10.598 11.943
237 H TRP 107 H TRP 107 17.670 9.193 13.455
238 HA TRP 107 HA TRP 107 17.207 8.645 16.222
239 HB2 TRP 107 HB2 TRP 107 15.298 8.377 13.875
240 HB3 TRP 107 HB3 TRP 107 14.840 8.338 15.560
241 HD1 TRP 107 HD1 TRP 107 17.332 11.003 15.360
242 HE1 TRP 107 HE1 TRP 107 16.271 13.313 15.150
243 HE3 TRP 107 HE3 TRP 107 12.548 9.610 14.104
244 HZ2 TRP 107 HZ2 TRP 107 13.742 14.428 14.480
245 HZ3 TRP 107 HZ3 TRP 107 10.816 11.358 13.729
246 HH2 TRP 107 HH2 TRP 107 11.409 13.782 13.914
247 H LYS 108 H LYS 108 17.170 6.420 13.420
248 HA LYS 108 HA LYS 108 16.333 4.050 14.878
249 HB2 LYS 108 HB2 LYS 108 17.996 4.323 12.329
250 HB3 LYS 108 HB3 LYS 108 17.281 2.801 12.935
251 HG2 LYS 108 HG2 LYS 108 15.014 3.711 12.657
252 HG3 LYS 108 HG3 LYS 108 15.647 5.266 12.196
253 HD2 LYS 108 HD2 LYS 108 15.336 4.563 10.088
254 HD3 LYS 108 HD3 LYS 108 16.882 3.742 10.293
255 HE2 LYS 108 HE2 LYS 108 15.644 1.688 11.021
256 HE3 LYS 108 HE3 LYS 108 14.106 2.553 10.805
257 HZ1 LYS 108 HZ1 LYS 108 14.664 1.174 8.851
258 HZ2 LYS 108 HZ2 LYS 108 14.635 2.743 8.411
259 HZ3 LYS 108 HZ3 LYS 108 16.066 1.970 8.614
260 H ALA 109 H ALA 109 19.522 5.463 14.247
261 HA ALA 109 HA ALA 109 21.019 3.350 15.547
262 HB1 ALA 109 HB1 ALA 109 21.732 6.263 14.984
263 HB2 ALA 109 HB2 ALA 109 22.873 4.970 15.414
264 HB3 ALA 109 HB3 ALA 109 21.980 4.889 13.879
265 H LYS 110 H LYS 110 19.707 6.463 16.689
266 HA LYS 110 HA LYS 110 20.922 6.294 19.332
267 HB2 LYS 110 HB2 LYS 110 18.842 8.133 18.103
268 HB3 LYS 110 HB3 LYS 110 19.442 8.331 19.753
269 HG2 LYS 110 HG2 LYS 110 21.707 8.709 19.001
270 HG3 LYS 110 HG3 LYS 110 21.299 8.284 17.338
271 HD2 LYS 110 HD2 LYS 110 19.646 10.242 17.346
272 HD3 LYS 110 HD3 LYS 110 20.372 10.734 18.891
273 HE2 LYS 110 HE2 LYS 110 22.630 10.764 17.740
274 HE3 LYS 110 HE3 LYS 110 21.829 10.370 16.217
275 HZ1 LYS 110 HZ1 LYS 110 20.467 12.519 16.706
276 HZ2 LYS 110 HZ2 LYS 110 21.675 12.898 17.746
277 HZ3 LYS 110 HZ3 LYS 110 21.983 12.671 16.138
278 H TRP 111 H TRP 111 17.676 5.517 18.161
279 HA TRP 111 HA TRP 111 16.926 4.611 20.924
280 HB2 TRP 111 HB2 TRP 111 15.261 6.057 18.832
281 HB3 TRP 111 HB3 TRP 111 14.640 5.412 20.346
282 HD1 TRP 111 HD1 TRP 111 15.998 6.314 22.643
283 HE1 TRP 111 HE1 TRP 111 16.844 8.658 23.239
284 HE3 TRP 111 HE3 TRP 111 15.912 8.404 17.984
285 HZ2 TRP 111 HZ2 TRP 111 17.591 11.071 21.842
286 HZ3 TRP 111 HZ3 TRP 111 16.800 10.715 17.636
287 HH2 TRP 111 HH2 TRP 111 17.625 12.051 19.554
288 H GLY 112 H GLY 112 17.430 3.350 17.871
289 HA2 GLY 112 HA2 GLY 112 17.374 1.016 17.583
290 HA3 GLY 112 HA3 GLY 112 15.939 0.869 18.588
291 HA PRO 113 HA PRO 113 14.995 1.897 13.919
292 HB2 PRO 113 HB2 PRO 113 15.187 -0.574 12.614
293 HB3 PRO 113 HB3 PRO 113 16.413 0.726 12.597
294 HG2 PRO 113 HG2 PRO 113 16.333 -1.722 14.328
295 HG3 PRO 113 HG3 PRO 113 17.740 -0.936 13.503
296 HD2 PRO 113 HD2 PRO 113 17.255 -0.617 16.142
297 HD3 PRO 113 HD3 PRO 113 17.891 0.723 15.130
298 H GLU 114 H GLU 114 14.195 -1.073 15.768
299 HA GLU 114 HA GLU 114 11.599 -1.439 14.632
300 HB2 GLU 114 HB2 GLU 114 12.789 -2.293 17.297
301 HB3 GLU 114 HB3 GLU 114 11.209 -2.827 16.702
302 HG2 GLU 114 HG2 GLU 114 12.303 -3.806 14.688
303 HG3 GLU 114 HG3 GLU 114 13.880 -3.351 15.336
304 H ALA 115 H ALA 115 12.744 0.373 17.450
305 HA ALA 115 HA ALA 115 10.143 1.215 18.409
306 HB1 ALA 115 HB1 ALA 115 12.909 2.459 18.732
307 HB2 ALA 115 HB2 ALA 115 11.475 2.894 19.672
308 HB3 ALA 115 HB3 ALA 115 12.170 1.264 19.818
309 H VAL 116 H VAL 116 12.604 2.809 16.302
310 HA VAL 116 HA VAL 116 11.029 5.128 15.759
311 HB VAL 116 HB VAL 116 13.271 3.840 14.171
312 HG11 VAL 116 HG11 VAL 116 13.556 6.106 13.156
313 HG12 VAL 116 HG12 VAL 116 12.040 5.332 12.671
314 HG13 VAL 116 HG13 VAL 116 12.028 6.614 13.906
315 HG21 VAL 116 HG21 VAL 116 13.223 6.202 16.110
316 HG22 VAL 116 HG22 VAL 116 13.900 4.627 16.497
317 HG23 VAL 116 HG23 VAL 116 14.626 5.597 15.227
318 H GLU 117 H GLU 117 11.128 1.977 13.954
319 HA GLU 117 HA GLU 117 9.221 2.914 11.979
320 HB2 GLU 117 HB2 GLU 117 10.063 0.144 12.922
321 HB3 GLU 117 HB3 GLU 117 8.785 0.371 11.736
322 HG2 GLU 117 HG2 GLU 117 11.651 1.337 11.407
323 HG3 GLU 117 HG3 GLU 117 10.938 -0.085 10.649
324 H SER 118 H SER 118 8.830 1.715 15.283
325 HA SER 118 HA SER 118 5.953 1.376 15.114
326 HB2 SER 118 HB2 SER 118 7.302 0.358 16.840
327 HB3 SER 118 HB3 SER 118 7.582 1.955 17.574
328 HG SER 118 HG SER 118 5.790 0.799 18.514
329 H TRP 119 H TRP 119 8.082 4.202 15.519
330 HA TRP 119 HA TRP 119 5.946 6.074 16.172
331 HB2 TRP 119 HB2 TRP 119 8.599 6.742 14.868
332 HB3 TRP 119 HB3 TRP 119 7.529 7.813 15.721
333 HD1 TRP 119 HD1 TRP 119 7.425 5.406 18.188
334 HE1 TRP 119 HE1 TRP 119 9.314 5.531 19.905
335 HE3 TRP 119 HE3 TRP 119 10.747 8.368 15.575
336 HZ2 TRP 119 HZ2 TRP 119 11.961 6.602 20.076
337 HZ3 TRP 119 HZ3 TRP 119 12.881 9.028 16.632
338 HH2 TRP 119 HH2 TRP 119 13.530 8.131 18.851
339 H ALA 120 H ALA 120 6.800 4.451 13.241
340 HA ALA 120 HA ALA 120 6.331 6.546 11.383
341 HB1 ALA 120 HB1 ALA 120 7.522 4.357 10.915
342 HB2 ALA 120 HB2 ALA 120 5.927 3.590 10.833
343 HB3 ALA 120 HB3 ALA 120 6.355 4.862 9.678
344 H THR 121 H THR 121 4.589 7.200 10.212
345 HA THR 121 HA THR 121 1.990 5.728 10.281
346 HB THR 121 HB THR 121 0.949 8.124 10.185
347 HG1 THR 121 HG1 THR 121 3.300 8.638 11.706
348 HG21 THR 121 HG21 THR 121 1.954 7.043 12.841
349 HG22 THR 121 HG22 THR 121 0.629 8.203 12.599
350 HG23 THR 121 HG23 THR 121 0.471 6.546 11.992
351 H LEU 122 H LEU 122 1.456 5.180 8.393
352 HA LEU 122 HA LEU 122 2.582 6.318 5.960
353 HB2 LEU 122 HB2 LEU 122 0.510 4.225 6.678
354 HB3 LEU 122 HB3 LEU 122 0.789 4.681 4.994
355 HG LEU 122 HG LEU 122 3.039 3.711 6.817
356 HD11 LEU 122 HD11 LEU 122 1.312 1.941 6.639
357 HD12 LEU 122 HD12 LEU 122 1.335 2.090 4.867
358 HD13 LEU 122 HD13 LEU 122 2.772 1.505 5.734
359 HD21 LEU 122 HD21 LEU 122 3.741 4.930 4.744
360 HD22 LEU 122 HD22 LEU 122 4.150 3.212 4.651
361 HD23 LEU 122 HD23 LEU 122 2.746 3.831 3.769
362 H LEU 123 H LEU 123 1.929 8.159 5.081
363 HA LEU 123 HA LEU 123 -0.665 9.377 5.734
364 HB2 LEU 123 HB2 LEU 123 1.505 10.263 3.784
365 HB3 LEU 123 HB3 LEU 123 0.167 11.239 4.370
366 HG LEU 123 HG LEU 123 2.588 10.293 5.959
367 HD11 LEU 123 HD11 LEU 123 2.863 12.288 4.540
368 HD12 LEU 123 HD12 LEU 123 1.462 13.049 5.325
369 HD13 LEU 123 HD13 LEU 123 2.926 12.700 6.256
370 HD21 LEU 123 HD21 LEU 123 0.699 10.102 7.500
371 HD22 LEU 123 HD22 LEU 123 1.569 11.587 7.871
372 HD23 LEU 123 HD23 LEU 123 0.050 11.670 6.965
373 H GLY 124 H GLY 124 -1.906 10.386 3.801
374 HA2 GLY 124 HA2 GLY 124 -2.945 8.235 2.164
375 HA3 GLY 124 HA3 GLY 124 -3.494 9.906 2.202
376 H HIS 125 H HIS 125 -0.151 9.779 1.513
377 HA HIS 125 HA HIS 125 -0.352 9.551 -1.396
378 HB2 HIS 125 HB2 HIS 125 0.506 11.814 -1.817
379 HB3 HIS 125 HB3 HIS 125 -1.098 11.836 -1.105
380 HD1 HIS 125 HD1 HIS 125 2.033 11.517 1.094
381 HD2 HIS 125 HD2 HIS 125 -0.881 14.305 -0.139
382 HE1 HIS 125 HE1 HIS 125 2.406 13.675 2.533
383 HE2 HIS 125 HE2 HIS 125 0.588 15.338 1.783
Start of MODEL 14
1 H ALA 79 H1 ALA 79 2.477 0.633 -0.702
2 HA ALA 79 HA ALA 79 4.328 1.696 0.281
3 HB1 ALA 79 HB1 ALA 79 6.071 -0.364 -1.146
4 HB2 ALA 79 HB2 ALA 79 6.644 0.993 -0.156
5 HB3 ALA 79 HB3 ALA 79 5.718 -0.308 0.591
6 H ARG 80 H ARG 80 2.859 2.912 -1.312
7 HA ARG 80 HA ARG 80 4.654 4.323 -3.260
8 HB2 ARG 80 HB2 ARG 80 1.786 3.536 -3.830
9 HB3 ARG 80 HB3 ARG 80 2.798 4.677 -4.750
10 HG2 ARG 80 HG2 ARG 80 4.472 2.888 -5.123
11 HG3 ARG 80 HG3 ARG 80 3.356 1.720 -4.385
12 HD2 ARG 80 HD2 ARG 80 1.638 2.274 -6.078
13 HD3 ARG 80 HD3 ARG 80 2.743 3.407 -6.854
14 HE ARG 80 HE ARG 80 2.797 0.463 -6.954
15 HH11 ARG 80 HH11 ARG 80 4.680 3.334 -7.703
16 HH12 ARG 80 HH12 ARG 80 5.701 2.474 -8.821
17 HH21 ARG 80 HH21 ARG 80 4.140 -0.563 -8.375
18 HH22 ARG 80 HH22 ARG 80 5.400 0.316 -9.186
19 H LYS 81 H LYS 81 4.219 4.814 -0.552
20 HA LYS 81 HA LYS 81 2.604 7.329 -0.378
21 HB2 LYS 81 HB2 LYS 81 2.263 4.711 1.149
22 HB3 LYS 81 HB3 LYS 81 1.872 6.255 1.941
23 HG2 LYS 81 HG2 LYS 81 0.289 6.810 0.123
24 HG3 LYS 81 HG3 LYS 81 0.653 5.269 -0.669
25 HD2 LYS 81 HD2 LYS 81 -0.190 4.031 1.296
26 HD3 LYS 81 HD3 LYS 81 -0.528 5.569 2.128
27 HE2 LYS 81 HE2 LYS 81 -2.099 6.212 0.327
28 HE3 LYS 81 HE3 LYS 81 -1.762 4.701 -0.525
29 HZ1 LYS 81 HZ1 LYS 81 -3.802 4.539 0.795
30 HZ2 LYS 81 HZ2 LYS 81 -2.701 3.490 1.382
31 HZ3 LYS 81 HZ3 LYS 81 -3.014 4.891 2.176
32 H VAL 82 H VAL 82 3.002 8.588 1.405
33 HA VAL 82 HA VAL 82 5.831 8.747 2.270
34 HB VAL 82 HB VAL 82 3.382 10.490 2.771
35 HG11 VAL 82 HG11 VAL 82 6.266 10.986 3.637
36 HG12 VAL 82 HG12 VAL 82 5.002 12.227 3.587
37 HG13 VAL 82 HG13 VAL 82 4.825 10.868 4.688
38 HG21 VAL 82 HG21 VAL 82 4.277 10.525 0.440
39 HG22 VAL 82 HG22 VAL 82 4.496 12.072 1.263
40 HG23 VAL 82 HG23 VAL 82 5.875 10.970 1.077
41 H LYS 83 H LYS 83 6.579 8.367 4.302
42 HA LYS 83 HA LYS 83 4.670 7.562 6.478
43 HB2 LYS 83 HB2 LYS 83 7.541 6.713 5.915
44 HB3 LYS 83 HB3 LYS 83 6.814 6.602 7.532
45 HG2 LYS 83 HG2 LYS 83 5.027 5.174 6.705
46 HG3 LYS 83 HG3 LYS 83 5.696 5.236 5.059
47 HD2 LYS 83 HD2 LYS 83 7.699 4.076 5.727
48 HD3 LYS 83 HD3 LYS 83 7.316 4.242 7.449
49 HE2 LYS 83 HE2 LYS 83 5.354 2.796 7.219
50 HE3 LYS 83 HE3 LYS 83 5.612 2.664 5.472
51 HZ1 LYS 83 HZ1 LYS 83 7.746 1.539 5.936
52 HZ2 LYS 83 HZ2 LYS 83 7.499 1.646 7.554
53 HZ3 LYS 83 HZ3 LYS 83 6.523 0.722 6.635
54 H GLN 84 H GLN 84 4.396 9.030 7.922
55 HA GLN 84 HA GLN 84 6.352 11.205 8.461
56 HB2 GLN 84 HB2 GLN 84 3.913 11.695 8.228
57 HB3 GLN 84 HB3 GLN 84 3.575 10.625 9.581
58 HG2 GLN 84 HG2 GLN 84 4.900 12.122 11.071
59 HG3 GLN 84 HG3 GLN 84 5.261 13.170 9.697
60 HE21 GLN 84 HE22 GLN 84 3.451 14.514 8.775
61 HE22 GLN 84 HE21 GLN 84 2.013 14.715 9.764
62 H TYR 85 H TYR 85 7.331 11.366 10.482
63 HA TYR 85 HA TYR 85 7.014 9.146 12.459
64 HB2 TYR 85 HB2 TYR 85 9.653 10.255 11.417
65 HB3 TYR 85 HB3 TYR 85 9.490 9.217 12.810
66 HD1 TYR 85 HD2 TYR 85 9.058 9.304 9.083
67 HD2 TYR 85 HD1 TYR 85 9.528 6.880 12.617
68 HE1 TYR 85 HE2 TYR 85 9.467 7.314 7.664
69 HE2 TYR 85 HE1 TYR 85 9.988 4.899 11.197
70 HH TYR 85 HH TYR 85 9.996 5.052 7.611
71 H LYS 86 H LYS 86 7.414 9.815 14.595
72 HA LYS 86 HA LYS 86 8.016 12.694 15.108
73 HB2 LYS 86 HB2 LYS 86 5.576 12.356 15.208
74 HB3 LYS 86 HB3 LYS 86 5.789 11.043 16.387
75 HG2 LYS 86 HG2 LYS 86 6.662 12.613 18.046
76 HG3 LYS 86 HG3 LYS 86 6.612 13.938 16.867
77 HD2 LYS 86 HD2 LYS 86 4.143 13.710 16.710
78 HD3 LYS 86 HD3 LYS 86 4.196 12.386 17.892
79 HE2 LYS 86 HE2 LYS 86 5.200 13.929 19.572
80 HE3 LYS 86 HE3 LYS 86 5.155 15.245 18.393
81 HZ1 LYS 86 HZ1 LYS 86 2.713 15.054 18.359
82 HZ2 LYS 86 HZ2 LYS 86 2.751 13.833 19.449
83 HZ3 LYS 86 HZ3 LYS 86 3.226 15.331 19.881
84 H ASN 87 H ASN 87 9.241 13.071 16.916
85 HA ASN 87 HA ASN 87 10.331 10.655 18.345
86 HB2 ASN 87 HB2 ASN 87 11.849 11.647 16.698
87 HB3 ASN 87 HB3 ASN 87 11.815 13.179 17.574
88 HD21 ASN 87 HD22 ASN 87 14.236 12.108 17.202
89 HD22 ASN 87 HD21 ASN 87 14.821 11.324 18.665
90 HA PRO 88 HA PRO 88 8.185 12.926 21.744
91 HB2 PRO 88 HB2 PRO 88 9.092 10.295 22.948
92 HB3 PRO 88 HB3 PRO 88 7.597 11.226 23.284
93 HG2 PRO 88 HG2 PRO 88 7.536 9.120 21.582
94 HG3 PRO 88 HG3 PRO 88 6.675 10.639 21.159
95 HD2 PRO 88 HD2 PRO 88 9.316 9.619 20.133
96 HD3 PRO 88 HD3 PRO 88 8.003 10.489 19.275
97 H HIS 89 H HIS 89 11.483 11.630 21.667
98 HA HIS 89 HA HIS 89 12.383 12.645 24.204
99 HB2 HIS 89 HB2 HIS 89 14.029 12.073 21.700
100 HB3 HIS 89 HB3 HIS 89 14.630 12.199 23.352
101 HD1 HIS 89 HD1 HIS 89 13.049 9.739 20.990
102 HD2 HIS 89 HD2 HIS 89 13.742 10.228 25.133
103 HE1 HIS 89 HE1 HIS 89 12.632 7.417 22.100
104 HE2 HIS 89 HE2 HIS 89 13.061 7.741 24.614
105 H THR 90 H THR 90 12.089 14.213 21.062
106 HA THR 90 HA THR 90 13.139 16.783 22.211
107 HB THR 90 HB THR 90 13.975 17.310 19.997
108 HG1 THR 90 HG1 THR 90 13.792 15.906 18.343
109 HG21 THR 90 HG21 THR 90 15.741 15.657 19.742
110 HG22 THR 90 HG22 THR 90 15.447 15.890 21.476
111 HG23 THR 90 HG23 THR 90 14.808 14.448 20.640
112 H GLY 91 H GLY 91 10.455 15.266 20.602
113 HA2 GLY 91 HA2 GLY 91 8.316 16.197 20.295
114 HA3 GLY 91 HA3 GLY 91 8.972 17.828 20.412
115 H GLU 92 H GLU 92 11.059 16.193 18.370
116 HA GLU 92 HA GLU 92 10.288 17.601 16.031
117 HB2 GLU 92 HB2 GLU 92 12.238 15.428 16.742
118 HB3 GLU 92 HB3 GLU 92 11.830 15.584 15.043
119 HG2 GLU 92 HG2 GLU 92 12.505 17.703 14.802
120 HG3 GLU 92 HG3 GLU 92 12.540 18.063 16.550
121 H VAL 93 H VAL 93 9.514 17.053 14.081
122 HA VAL 93 HA VAL 93 8.345 14.375 13.579
123 HB VAL 93 HB VAL 93 7.209 17.069 12.795
124 HG11 VAL 93 HG11 VAL 93 6.019 14.267 12.492
125 HG12 VAL 93 HG12 VAL 93 5.194 15.785 12.083
126 HG13 VAL 93 HG13 VAL 93 6.612 15.287 11.158
127 HG21 VAL 93 HG21 VAL 93 6.230 15.150 14.923
128 HG22 VAL 93 HG22 VAL 93 6.924 16.778 15.155
129 HG23 VAL 93 HG23 VAL 93 5.351 16.594 14.355
130 H ILE 94 H ILE 94 8.691 13.619 11.523
131 HA ILE 94 HA ILE 94 9.787 15.334 9.390
132 HB ILE 94 HB ILE 94 11.511 13.653 8.792
133 HG12 ILE 94 HG12 ILE 94 10.917 12.416 11.507
134 HG13 ILE 94 HG13 ILE 94 10.555 11.701 9.933
135 HG21 ILE 94 HG21 ILE 94 12.036 15.732 10.045
136 HG22 ILE 94 HG22 ILE 94 11.981 14.809 11.564
137 HG23 ILE 94 HG23 ILE 94 13.197 14.433 10.328
138 HD11 ILE 94 HD11 ILE 94 12.933 11.543 9.405
139 HD12 ILE 94 HD12 ILE 94 13.351 12.252 10.994
140 HD13 ILE 94 HD13 ILE 94 12.540 10.693 10.913
141 H GLU 95 H GLU 95 9.762 14.248 7.341
142 HA GLU 95 HA GLU 95 7.905 11.946 7.000
143 HB2 GLU 95 HB2 GLU 95 7.638 14.715 5.767
144 HB3 GLU 95 HB3 GLU 95 6.927 13.278 5.017
145 HG2 GLU 95 HG2 GLU 95 5.560 12.833 6.945
146 HG3 GLU 95 HG3 GLU 95 6.358 14.108 7.879
147 H THR 96 H THR 96 8.449 10.576 5.425
148 HA THR 96 HA THR 96 10.243 11.326 3.198
149 HB THR 96 HB THR 96 11.917 10.764 4.755
150 HG1 THR 96 HG1 THR 96 12.803 8.952 3.778
151 HG21 THR 96 HG21 THR 96 10.716 9.626 6.544
152 HG22 THR 96 HG22 THR 96 10.339 8.256 5.465
153 HG23 THR 96 HG23 THR 96 12.012 8.579 5.959
154 H LYS 97 H LYS 97 10.344 9.670 1.535
155 HA LYS 97 HA LYS 97 7.878 7.978 1.351
156 HB2 LYS 97 HB2 LYS 97 9.991 8.816 -0.687
157 HB3 LYS 97 HB3 LYS 97 8.662 7.698 -1.034
158 HG2 LYS 97 HG2 LYS 97 6.993 9.408 -0.492
159 HG3 LYS 97 HG3 LYS 97 8.262 10.545 -0.022
160 HD2 LYS 97 HD2 LYS 97 7.484 11.143 -2.217
161 HD3 LYS 97 HD3 LYS 97 9.146 10.552 -2.333
162 HE2 LYS 97 HE2 LYS 97 8.318 8.338 -3.121
163 HE3 LYS 97 HE3 LYS 97 6.647 8.904 -2.956
164 HZ1 LYS 97 HZ1 LYS 97 7.441 9.102 -5.257
165 HZ2 LYS 97 HZ2 LYS 97 7.130 10.589 -4.669
166 HZ3 LYS 97 HZ3 LYS 97 8.670 10.073 -4.816
167 H GLY 98 H GLY 98 10.928 7.538 2.580
168 HA2 GLY 98 HA2 GLY 98 11.330 5.337 3.560
169 HA3 GLY 98 HA3 GLY 98 10.855 4.579 2.045
170 H GLY 99 H GLY 99 12.748 7.247 1.235
171 HA2 GLY 99 HA2 GLY 99 15.077 5.657 0.503
172 HA3 GLY 99 HA3 GLY 99 14.863 7.390 0.296
173 H ASN 100 H ASN 100 17.296 6.819 0.915
174 HA ASN 100 HA ASN 100 17.959 6.541 3.702
175 HB2 ASN 100 HB2 ASN 100 19.467 5.891 1.869
176 HB3 ASN 100 HB3 ASN 100 19.577 7.574 1.337
177 HD21 ASN 100 HD22 ASN 100 21.910 7.435 1.631
178 HD22 ASN 100 HD21 ASN 100 22.579 7.533 3.253
179 H HIS 101 H HIS 101 16.564 8.066 4.716
180 HA HIS 101 HA HIS 101 17.199 10.962 4.460
181 HB2 HIS 101 HB2 HIS 101 14.851 10.060 4.371
182 HB3 HIS 101 HB3 HIS 101 14.994 9.586 6.060
183 HD1 HIS 101 HD1 HIS 101 14.812 11.633 7.834
184 HD2 HIS 101 HD2 HIS 101 14.722 12.672 3.750
185 HE1 HIS 101 HE1 HIS 101 14.316 14.170 7.749
186 HE2 HIS 101 HE2 HIS 101 14.188 14.770 5.238
187 H LYS 102 H LYS 102 19.158 11.181 5.442
188 HA LYS 102 HA LYS 102 20.384 9.815 7.427
189 HB2 LYS 102 HB2 LYS 102 21.021 11.895 5.878
190 HB3 LYS 102 HB3 LYS 102 20.803 12.817 7.350
191 HG2 LYS 102 HG2 LYS 102 22.740 10.499 6.892
192 HG3 LYS 102 HG3 LYS 102 23.125 12.215 6.876
193 HD2 LYS 102 HD2 LYS 102 22.363 12.285 9.330
194 HD3 LYS 102 HD3 LYS 102 22.393 10.503 9.273
195 HE2 LYS 102 HE2 LYS 102 24.780 10.615 8.461
196 HE3 LYS 102 HE3 LYS 102 24.710 12.375 8.594
197 HZ1 LYS 102 HZ1 LYS 102 25.708 11.553 10.578
198 HZ2 LYS 102 HZ2 LYS 102 24.197 12.034 11.019
199 HZ3 LYS 102 HZ3 LYS 102 24.545 10.437 10.838
200 H THR 103 H THR 103 18.297 12.625 8.224
201 HA THR 103 HA THR 103 18.630 12.598 11.021
202 HB THR 103 HB THR 103 16.060 13.250 9.515
203 HG1 THR 103 HG1 THR 103 17.004 15.352 9.424
204 HG21 THR 103 HG21 THR 103 15.738 13.301 11.961
205 HG22 THR 103 HG22 THR 103 17.167 14.340 12.142
206 HG23 THR 103 HG23 THR 103 15.718 14.931 11.290
207 H LEU 104 H LEU 104 16.556 10.449 9.080
208 HA LEU 104 HA LEU 104 15.136 9.302 11.396
209 HB2 LEU 104 HB2 LEU 104 14.180 9.376 9.042
210 HB3 LEU 104 HB3 LEU 104 15.470 8.296 8.519
211 HG LEU 104 HG LEU 104 14.602 6.573 10.163
212 HD11 LEU 104 HD11 LEU 104 13.314 8.092 11.675
213 HD12 LEU 104 HD12 LEU 104 12.212 8.461 10.322
214 HD13 LEU 104 HD13 LEU 104 12.305 6.823 10.974
215 HD21 LEU 104 HD21 LEU 104 12.603 7.516 8.077
216 HD22 LEU 104 HD22 LEU 104 14.047 6.524 7.747
217 HD23 LEU 104 HD23 LEU 104 12.743 5.885 8.765
218 H LYS 105 H LYS 105 17.889 8.394 9.231
219 HA LYS 105 HA LYS 105 18.563 5.948 10.446
220 HB2 LYS 105 HB2 LYS 105 19.522 7.165 8.332
221 HB3 LYS 105 HB3 LYS 105 20.675 7.894 9.485
222 HG2 LYS 105 HG2 LYS 105 21.386 5.615 10.180
223 HG3 LYS 105 HG3 LYS 105 20.206 4.907 9.060
224 HD2 LYS 105 HD2 LYS 105 21.392 5.956 7.143
225 HD3 LYS 105 HD3 LYS 105 22.570 6.674 8.268
226 HE2 LYS 105 HE2 LYS 105 23.234 4.398 9.021
227 HE3 LYS 105 HE3 LYS 105 22.046 3.681 7.930
228 HZ1 LYS 105 HZ1 LYS 105 23.287 4.625 6.048
229 HZ2 LYS 105 HZ2 LYS 105 24.392 5.304 7.053
230 HZ3 LYS 105 HZ3 LYS 105 24.269 3.679 6.936
231 H GLU 106 H GLU 106 19.694 9.216 11.325
232 HA GLU 106 HA GLU 106 21.205 8.463 13.571
233 HB2 GLU 106 HB2 GLU 106 19.715 10.982 12.806
234 HB3 GLU 106 HB3 GLU 106 20.330 10.825 14.461
235 HG2 GLU 106 HG2 GLU 106 22.572 10.385 13.667
236 HG3 GLU 106 HG3 GLU 106 22.004 10.397 11.979
237 H TRP 107 H TRP 107 17.686 9.180 13.449
238 HA TRP 107 HA TRP 107 17.245 8.688 16.226
239 HB2 TRP 107 HB2 TRP 107 15.311 8.381 13.902
240 HB3 TRP 107 HB3 TRP 107 14.870 8.370 15.596
241 HD1 TRP 107 HD1 TRP 107 17.350 11.031 15.332
242 HE1 TRP 107 HE1 TRP 107 16.284 13.336 15.089
243 HE3 TRP 107 HE3 TRP 107 12.572 9.598 14.115
244 HZ2 TRP 107 HZ2 TRP 107 13.742 14.434 14.404
245 HZ3 TRP 107 HZ3 TRP 107 10.830 11.325 13.716
246 HH2 TRP 107 HH2 TRP 107 11.407 13.756 13.850
247 H LYS 108 H LYS 108 17.221 6.408 13.473
248 HA LYS 108 HA LYS 108 16.374 4.065 14.971
249 HB2 LYS 108 HB2 LYS 108 18.073 4.274 12.441
250 HB3 LYS 108 HB3 LYS 108 17.360 2.772 13.080
251 HG2 LYS 108 HG2 LYS 108 15.084 3.755 12.815
252 HG3 LYS 108 HG3 LYS 108 15.779 5.208 12.155
253 HD2 LYS 108 HD2 LYS 108 15.528 4.289 10.122
254 HD3 LYS 108 HD3 LYS 108 16.927 3.271 10.508
255 HE2 LYS 108 HE2 LYS 108 15.327 1.618 11.555
256 HE3 LYS 108 HE3 LYS 108 13.979 2.635 11.034
257 HZ1 LYS 108 HZ1 LYS 108 14.319 0.842 9.480
258 HZ2 LYS 108 HZ2 LYS 108 14.684 2.239 8.706
259 HZ3 LYS 108 HZ3 LYS 108 15.892 1.247 9.208
260 H ALA 109 H ALA 109 19.569 5.462 14.339
261 HA ALA 109 HA ALA 109 21.060 3.401 15.718
262 HB1 ALA 109 HB1 ALA 109 22.030 4.901 14.017
263 HB2 ALA 109 HB2 ALA 109 21.765 6.301 15.078
264 HB3 ALA 109 HB3 ALA 109 22.908 5.027 15.556
265 H LYS 110 H LYS 110 19.696 6.518 16.759
266 HA LYS 110 HA LYS 110 20.887 6.438 19.418
267 HB2 LYS 110 HB2 LYS 110 18.822 8.223 18.083
268 HB3 LYS 110 HB3 LYS 110 19.361 8.468 19.750
269 HG2 LYS 110 HG2 LYS 110 21.641 8.850 19.074
270 HG3 LYS 110 HG3 LYS 110 21.308 8.372 17.404
271 HD2 LYS 110 HD2 LYS 110 19.681 10.289 17.226
272 HD3 LYS 110 HD3 LYS 110 20.201 10.837 18.820
273 HE2 LYS 110 HE2 LYS 110 21.992 10.525 16.345
274 HE3 LYS 110 HE3 LYS 110 21.282 12.035 16.911
275 HZ1 LYS 110 HZ1 LYS 110 22.545 11.793 19.000
276 HZ2 LYS 110 HZ2 LYS 110 23.270 10.430 18.448
277 HZ3 LYS 110 HZ3 LYS 110 23.548 11.866 17.718
278 H TRP 111 H TRP 111 17.654 5.610 18.248
279 HA TRP 111 HA TRP 111 16.891 4.786 21.029
280 HB2 TRP 111 HB2 TRP 111 15.239 6.196 18.900
281 HB3 TRP 111 HB3 TRP 111 14.592 5.562 20.400
282 HD1 TRP 111 HD1 TRP 111 15.832 6.514 22.714
283 HE1 TRP 111 HE1 TRP 111 16.607 8.888 23.302
284 HE3 TRP 111 HE3 TRP 111 15.987 8.491 18.013
285 HZ2 TRP 111 HZ2 TRP 111 17.339 11.299 21.894
286 HZ3 TRP 111 HZ3 TRP 111 16.847 10.806 17.650
287 HH2 TRP 111 HH2 TRP 111 17.501 12.218 19.580
288 H GLY 112 H GLY 112 17.417 3.429 18.021
289 HA2 GLY 112 HA2 GLY 112 17.350 1.078 17.840
290 HA3 GLY 112 HA3 GLY 112 15.885 0.988 18.799
291 HA PRO 113 HA PRO 113 15.094 1.869 14.073
292 HB2 PRO 113 HB2 PRO 113 15.380 -0.651 12.841
293 HB3 PRO 113 HB3 PRO 113 16.582 0.671 12.815
294 HG2 PRO 113 HG2 PRO 113 16.491 -1.719 14.621
295 HG3 PRO 113 HG3 PRO 113 17.910 -0.919 13.823
296 HD2 PRO 113 HD2 PRO 113 17.325 -0.551 16.428
297 HD3 PRO 113 HD3 PRO 113 17.970 0.771 15.406
298 H GLU 114 H GLU 114 14.265 -1.087 15.942
299 HA GLU 114 HA GLU 114 11.715 -1.481 14.710
300 HB2 GLU 114 HB2 GLU 114 12.823 -2.316 17.418
301 HB3 GLU 114 HB3 GLU 114 11.260 -2.856 16.778
302 HG2 GLU 114 HG2 GLU 114 12.419 -3.844 14.802
303 HG3 GLU 114 HG3 GLU 114 13.977 -3.378 15.496
304 H ALA 115 H ALA 115 12.737 0.351 17.565
305 HA ALA 115 HA ALA 115 10.104 1.193 18.428
306 HB1 ALA 115 HB1 ALA 115 12.096 1.285 19.885
307 HB2 ALA 115 HB2 ALA 115 12.846 2.481 18.804
308 HB3 ALA 115 HB3 ALA 115 11.376 2.902 19.700
309 H VAL 116 H VAL 116 12.616 2.806 16.408
310 HA VAL 116 HA VAL 116 11.039 5.092 15.762
311 HB VAL 116 HB VAL 116 13.365 3.807 14.312
312 HG11 VAL 116 HG11 VAL 116 13.691 6.049 13.262
313 HG12 VAL 116 HG12 VAL 116 12.182 5.281 12.732
314 HG13 VAL 116 HG13 VAL 116 12.137 6.576 13.946
315 HG21 VAL 116 HG21 VAL 116 13.227 6.205 16.197
316 HG22 VAL 116 HG22 VAL 116 13.866 4.627 16.648
317 HG23 VAL 116 HG23 VAL 116 14.668 5.567 15.396
318 H GLU 117 H GLU 117 11.303 1.944 13.972
319 HA GLU 117 HA GLU 117 9.500 2.816 11.876
320 HB2 GLU 117 HB2 GLU 117 10.419 0.085 12.846
321 HB3 GLU 117 HB3 GLU 117 9.226 0.286 11.551
322 HG2 GLU 117 HG2 GLU 117 10.771 1.618 10.223
323 HG3 GLU 117 HG3 GLU 117 11.976 1.591 11.505
324 H SER 118 H SER 118 8.955 1.684 15.156
325 HA SER 118 HA SER 118 6.061 1.306 14.806
326 HB2 SER 118 HB2 SER 118 7.565 1.728 17.394
327 HB3 SER 118 HB3 SER 118 5.903 1.170 17.153
328 HG SER 118 HG SER 118 8.298 -0.168 16.360
329 H TRP 119 H TRP 119 8.157 4.112 15.336
330 HA TRP 119 HA TRP 119 5.994 5.914 16.113
331 HB2 TRP 119 HB2 TRP 119 8.615 6.649 14.772
332 HB3 TRP 119 HB3 TRP 119 7.528 7.704 15.634
333 HD1 TRP 119 HD1 TRP 119 7.460 5.285 18.087
334 HE1 TRP 119 HE1 TRP 119 9.326 5.471 19.834
335 HE3 TRP 119 HE3 TRP 119 10.728 8.344 15.515
336 HZ2 TRP 119 HZ2 TRP 119 11.925 6.631 20.038
337 HZ3 TRP 119 HZ3 TRP 119 12.828 9.071 16.607
338 HH2 TRP 119 HH2 TRP 119 13.465 8.208 18.833
339 H ALA 120 H ALA 120 6.841 4.444 13.096
340 HA ALA 120 HA ALA 120 6.280 6.558 11.321
341 HB1 ALA 120 HB1 ALA 120 5.892 3.605 10.735
342 HB2 ALA 120 HB2 ALA 120 6.215 4.905 9.577
343 HB3 ALA 120 HB3 ALA 120 7.465 4.422 10.741
344 H THR 121 H THR 121 4.503 7.293 10.266
345 HA THR 121 HA THR 121 1.921 5.785 10.273
346 HB THR 121 HB THR 121 0.901 8.209 10.249
347 HG1 THR 121 HG1 THR 121 1.973 9.581 11.727
348 HG21 THR 121 HG21 THR 121 0.442 8.075 12.635
349 HG22 THR 121 HG22 THR 121 0.353 6.472 11.901
350 HG23 THR 121 HG23 THR 121 1.787 6.927 12.859
351 H LEU 122 H LEU 122 1.336 5.315 8.384
352 HA LEU 122 HA LEU 122 2.333 6.502 5.942
353 HB2 LEU 122 HB2 LEU 122 0.032 4.658 6.684
354 HB3 LEU 122 HB3 LEU 122 0.339 5.127 5.011
355 HG LEU 122 HG LEU 122 2.440 3.768 6.753
356 HD11 LEU 122 HD11 LEU 122 1.845 1.678 5.557
357 HD12 LEU 122 HD12 LEU 122 0.491 2.272 6.534
358 HD13 LEU 122 HD13 LEU 122 0.483 2.512 4.772
359 HD21 LEU 122 HD21 LEU 122 3.284 4.969 4.715
360 HD22 LEU 122 HD22 LEU 122 3.461 3.213 4.566
361 HD23 LEU 122 HD23 LEU 122 2.145 4.046 3.718
362 H LEU 123 H LEU 123 1.602 8.226 4.823
363 HA LEU 123 HA LEU 123 -0.803 9.686 5.825
364 HB2 LEU 123 HB2 LEU 123 1.328 10.569 3.843
365 HB3 LEU 123 HB3 LEU 123 0.059 11.565 4.536
366 HG LEU 123 HG LEU 123 2.493 10.427 5.973
367 HD11 LEU 123 HD11 LEU 123 2.752 12.492 4.600
368 HD12 LEU 123 HD12 LEU 123 1.473 13.268 5.550
369 HD13 LEU 123 HD13 LEU 123 2.990 12.785 6.333
370 HD21 LEU 123 HD21 LEU 123 1.612 11.675 7.987
371 HD22 LEU 123 HD22 LEU 123 0.063 11.876 7.145
372 HD23 LEU 123 HD23 LEU 123 0.654 10.254 7.574
373 H GLY 124 H GLY 124 -2.179 10.775 4.153
374 HA2 GLY 124 HA2 GLY 124 -2.388 9.882 1.453
375 HA3 GLY 124 HA3 GLY 124 -3.496 8.936 2.446
376 H HIS 125 H HIS 125 -4.776 10.213 0.637
377 HA HIS 125 HA HIS 125 -6.254 12.376 1.979
378 HB2 HIS 125 HB2 HIS 125 -4.534 13.515 0.812
379 HB3 HIS 125 HB3 HIS 125 -4.994 12.775 -0.731
380 HD1 HIS 125 HD1 HIS 125 -8.247 13.487 0.329
381 HD2 HIS 125 HD2 HIS 125 -4.896 15.896 -0.545
382 HE1 HIS 125 HE1 HIS 125 -9.170 15.849 -0.241
383 HE2 HIS 125 HE2 HIS 125 -7.108 17.307 -0.770
Start of MODEL 15
1 H ALA 79 H1 ALA 79 2.936 0.816 1.005
2 HA ALA 79 HA ALA 79 3.169 0.603 -1.937
3 HB1 ALA 79 HB1 ALA 79 1.249 2.139 -2.063
4 HB2 ALA 79 HB2 ALA 79 0.800 0.701 -1.149
5 HB3 ALA 79 HB3 ALA 79 1.156 2.217 -0.288
6 H ARG 80 H ARG 80 3.177 3.023 -2.836
7 HA ARG 80 HA ARG 80 5.741 4.121 -1.976
8 HB2 ARG 80 HB2 ARG 80 3.854 5.011 -4.162
9 HB3 ARG 80 HB3 ARG 80 5.505 5.592 -3.863
10 HG2 ARG 80 HG2 ARG 80 6.357 3.270 -4.055
11 HG3 ARG 80 HG3 ARG 80 4.753 2.712 -4.543
12 HD2 ARG 80 HD2 ARG 80 6.412 4.811 -6.010
13 HD3 ARG 80 HD3 ARG 80 6.302 3.100 -6.457
14 HE ARG 80 HE ARG 80 3.654 4.040 -6.369
15 HH11 ARG 80 HH21 ARG 80 6.488 4.673 -8.335
16 HH12 ARG 80 HH22 ARG 80 5.537 5.124 -9.722
17 HH21 ARG 80 HH11 ARG 80 2.499 4.657 -8.173
18 HH22 ARG 80 HH12 ARG 80 3.336 5.114 -9.625
19 H LYS 81 H LYS 81 2.748 4.760 -0.704
20 HA LYS 81 HA LYS 81 2.605 7.527 -0.255
21 HB2 LYS 81 HB2 LYS 81 1.717 5.091 1.317
22 HB3 LYS 81 HB3 LYS 81 1.655 6.675 2.076
23 HG2 LYS 81 HG2 LYS 81 -0.498 6.103 1.147
24 HG3 LYS 81 HG3 LYS 81 0.164 7.562 0.425
25 HD2 LYS 81 HD2 LYS 81 0.761 6.322 -1.628
26 HD3 LYS 81 HD3 LYS 81 0.140 4.816 -0.900
27 HE2 LYS 81 HE2 LYS 81 -2.107 5.862 -0.670
28 HE3 LYS 81 HE3 LYS 81 -1.493 7.358 -1.375
29 HZ1 LYS 81 HZ1 LYS 81 -1.643 4.732 -2.788
30 HZ2 LYS 81 HZ2 LYS 81 -2.631 6.000 -3.042
31 HZ3 LYS 81 HZ3 LYS 81 -1.056 6.111 -3.450
32 H VAL 82 H VAL 82 3.113 8.851 1.405
33 HA VAL 82 HA VAL 82 5.858 8.763 2.376
34 HB VAL 82 HB VAL 82 3.499 10.602 2.933
35 HG11 VAL 82 HG11 VAL 82 4.968 10.868 4.846
36 HG12 VAL 82 HG12 VAL 82 6.404 10.957 3.785
37 HG13 VAL 82 HG13 VAL 82 5.183 12.243 3.773
38 HG21 VAL 82 HG21 VAL 82 6.025 11.001 1.253
39 HG22 VAL 82 HG22 VAL 82 4.414 10.645 0.594
40 HG23 VAL 82 HG23 VAL 82 4.700 12.168 1.447
41 H LYS 83 H LYS 83 6.652 8.229 4.317
42 HA LYS 83 HA LYS 83 4.801 7.464 6.549
43 HB2 LYS 83 HB2 LYS 83 7.659 6.643 5.914
44 HB3 LYS 83 HB3 LYS 83 6.973 6.522 7.548
45 HG2 LYS 83 HG2 LYS 83 5.144 5.105 6.720
46 HG3 LYS 83 HG3 LYS 83 5.821 5.162 5.080
47 HD2 LYS 83 HD2 LYS 83 7.807 3.983 5.772
48 HD3 LYS 83 HD3 LYS 83 7.403 4.158 7.492
49 HE2 LYS 83 HE2 LYS 83 5.432 2.732 7.239
50 HE3 LYS 83 HE3 LYS 83 5.712 2.594 5.494
51 HZ1 LYS 83 HZ1 LYS 83 7.582 1.573 7.585
52 HZ2 LYS 83 HZ2 LYS 83 6.578 0.646 6.692
53 HZ3 LYS 83 HZ3 LYS 83 7.806 1.435 5.967
54 H GLN 84 H GLN 84 4.474 8.987 7.898
55 HA GLN 84 HA GLN 84 6.385 11.192 8.468
56 HB2 GLN 84 HB2 GLN 84 4.053 11.773 8.253
57 HB3 GLN 84 HB3 GLN 84 3.556 10.450 9.290
58 HG2 GLN 84 HG2 GLN 84 4.671 11.599 11.237
59 HG3 GLN 84 HG3 GLN 84 5.057 12.954 10.160
60 HE21 GLN 84 HE22 GLN 84 2.226 10.899 11.175
61 HE22 GLN 84 HE21 GLN 84 1.111 12.266 11.257
62 H TYR 85 H TYR 85 7.435 11.328 10.440
63 HA TYR 85 HA TYR 85 7.108 9.135 12.448
64 HB2 TYR 85 HB2 TYR 85 9.748 10.201 11.368
65 HB3 TYR 85 HB3 TYR 85 9.588 9.180 12.773
66 HD1 TYR 85 HD2 TYR 85 9.177 9.273 9.058
67 HD2 TYR 85 HD1 TYR 85 9.505 6.823 12.594
68 HE1 TYR 85 HE2 TYR 85 9.570 7.269 7.638
69 HE2 TYR 85 HE1 TYR 85 9.941 4.833 11.181
70 HH TYR 85 HH TYR 85 10.050 4.990 7.598
71 H LYS 86 H LYS 86 7.513 9.809 14.578
72 HA LYS 86 HA LYS 86 8.149 12.683 15.086
73 HB2 LYS 86 HB2 LYS 86 5.693 12.354 15.200
74 HB3 LYS 86 HB3 LYS 86 5.915 11.044 16.376
75 HG2 LYS 86 HG2 LYS 86 6.826 12.601 18.024
76 HG3 LYS 86 HG3 LYS 86 6.791 13.924 16.850
77 HD2 LYS 86 HD2 LYS 86 4.314 13.738 16.716
78 HD3 LYS 86 HD3 LYS 86 4.352 12.419 17.906
79 HE2 LYS 86 HE2 LYS 86 5.401 13.945 19.566
80 HE3 LYS 86 HE3 LYS 86 5.369 15.267 18.386
81 HZ1 LYS 86 HZ1 LYS 86 3.456 15.378 19.900
82 HZ2 LYS 86 HZ2 LYS 86 2.921 15.114 18.384
83 HZ3 LYS 86 HZ3 LYS 86 2.952 13.891 19.469
84 H ASN 87 H ASN 87 9.501 13.022 16.751
85 HA ASN 87 HA ASN 87 10.456 10.633 18.306
86 HB2 ASN 87 HB2 ASN 87 12.066 11.592 16.710
87 HB3 ASN 87 HB3 ASN 87 12.049 13.109 17.604
88 HD21 ASN 87 HD22 ASN 87 14.440 11.808 17.306
89 HD22 ASN 87 HD21 ASN 87 14.907 11.063 18.829
90 HA PRO 88 HA PRO 88 8.271 13.314 21.338
91 HB2 PRO 88 HB2 PRO 88 7.826 11.375 23.274
92 HB3 PRO 88 HB3 PRO 88 6.790 11.666 21.843
93 HG2 PRO 88 HG2 PRO 88 9.002 9.618 22.153
94 HG3 PRO 88 HG3 PRO 88 7.341 9.370 21.522
95 HD2 PRO 88 HD2 PRO 88 9.417 9.702 19.853
96 HD3 PRO 88 HD3 PRO 88 7.855 10.499 19.492
97 H HIS 89 H HIS 89 11.274 11.599 21.662
98 HA HIS 89 HA HIS 89 12.069 12.591 24.263
99 HB2 HIS 89 HB2 HIS 89 13.869 11.770 21.941
100 HB3 HIS 89 HB3 HIS 89 14.274 11.819 23.654
101 HD1 HIS 89 HD1 HIS 89 12.724 9.565 21.080
102 HD2 HIS 89 HD2 HIS 89 12.972 9.955 25.280
103 HE1 HIS 89 HE1 HIS 89 11.892 7.311 22.097
104 HE2 HIS 89 HE2 HIS 89 12.083 7.567 24.647
105 H THR 90 H THR 90 12.077 14.040 21.061
106 HA THR 90 HA THR 90 13.444 16.494 22.121
107 HB THR 90 HB THR 90 14.297 16.855 19.888
108 HG1 THR 90 HG1 THR 90 13.881 15.395 18.266
109 HG21 THR 90 HG21 THR 90 15.600 15.289 21.384
110 HG22 THR 90 HG22 THR 90 14.778 13.923 20.588
111 HG23 THR 90 HG23 THR 90 15.843 14.996 19.651
112 H GLY 91 H GLY 91 10.632 15.276 20.449
113 HA2 GLY 91 HA2 GLY 91 8.567 16.438 20.278
114 HA3 GLY 91 HA3 GLY 91 9.406 17.988 20.338
115 H GLU 92 H GLU 92 11.266 16.206 18.247
116 HA GLU 92 HA GLU 92 10.415 17.643 15.938
117 HB2 GLU 92 HB2 GLU 92 12.447 15.526 16.583
118 HB3 GLU 92 HB3 GLU 92 11.957 15.665 14.895
119 HG2 GLU 92 HG2 GLU 92 12.489 17.849 14.670
120 HG3 GLU 92 HG3 GLU 92 12.729 18.118 16.427
121 H VAL 93 H VAL 93 9.571 17.072 14.016
122 HA VAL 93 HA VAL 93 8.423 14.373 13.560
123 HB VAL 93 HB VAL 93 7.239 17.041 12.776
124 HG11 VAL 93 HG11 VAL 93 5.210 15.705 12.189
125 HG12 VAL 93 HG12 VAL 93 6.594 15.220 11.212
126 HG13 VAL 93 HG13 VAL 93 6.083 14.213 12.589
127 HG21 VAL 93 HG21 VAL 93 6.334 15.186 14.983
128 HG22 VAL 93 HG22 VAL 93 7.017 16.826 15.154
129 HG23 VAL 93 HG23 VAL 93 5.428 16.606 14.398
130 H ILE 94 H ILE 94 8.733 13.612 11.501
131 HA ILE 94 HA ILE 94 9.804 15.335 9.354
132 HB ILE 94 HB ILE 94 11.531 13.668 8.753
133 HG12 ILE 94 HG12 ILE 94 10.926 12.396 11.441
134 HG13 ILE 94 HG13 ILE 94 10.582 11.701 9.862
135 HG21 ILE 94 HG21 ILE 94 13.209 14.435 10.290
136 HG22 ILE 94 HG22 ILE 94 12.046 15.737 10.039
137 HG23 ILE 94 HG23 ILE 94 11.999 14.790 11.539
138 HD11 ILE 94 HD11 ILE 94 13.359 12.234 10.985
139 HD12 ILE 94 HD12 ILE 94 12.562 10.673 10.793
140 HD13 ILE 94 HD13 ILE 94 12.992 11.612 9.348
141 H GLU 95 H GLU 95 9.813 14.221 7.312
142 HA GLU 95 HA GLU 95 7.883 11.975 6.941
143 HB2 GLU 95 HB2 GLU 95 7.763 14.761 5.702
144 HB3 GLU 95 HB3 GLU 95 6.997 13.362 4.951
145 HG2 GLU 95 HG2 GLU 95 5.502 13.053 6.811
146 HG3 GLU 95 HG3 GLU 95 6.360 14.251 7.784
147 H THR 96 H THR 96 8.466 10.571 5.410
148 HA THR 96 HA THR 96 10.219 11.326 3.156
149 HB THR 96 HB THR 96 11.922 10.794 4.712
150 HG1 THR 96 HG1 THR 96 12.831 9.017 3.728
151 HG21 THR 96 HG21 THR 96 12.043 8.641 5.944
152 HG22 THR 96 HG22 THR 96 10.709 9.660 6.505
153 HG23 THR 96 HG23 THR 96 10.377 8.271 5.440
154 H LYS 97 H LYS 97 10.283 9.688 1.476
155 HA LYS 97 HA LYS 97 7.873 7.923 1.380
156 HB2 LYS 97 HB2 LYS 97 9.956 8.675 -0.711
157 HB3 LYS 97 HB3 LYS 97 8.608 7.562 -0.990
158 HG2 LYS 97 HG2 LYS 97 6.993 9.348 -0.352
159 HG3 LYS 97 HG3 LYS 97 8.325 10.495 -0.196
160 HD2 LYS 97 HD2 LYS 97 7.560 9.015 -2.756
161 HD3 LYS 97 HD3 LYS 97 7.104 10.676 -2.352
162 HE2 LYS 97 HE2 LYS 97 9.527 11.301 -2.232
163 HE3 LYS 97 HE3 LYS 97 9.962 9.655 -2.711
164 HZ1 LYS 97 HZ1 LYS 97 8.363 11.541 -4.370
165 HZ2 LYS 97 HZ2 LYS 97 9.926 11.148 -4.623
166 HZ3 LYS 97 HZ3 LYS 97 8.765 10.017 -4.811
167 H GLY 98 H GLY 98 10.939 7.583 2.597
168 HA2 GLY 98 HA2 GLY 98 11.395 5.420 3.640
169 HA3 GLY 98 HA3 GLY 98 10.964 4.611 2.141
170 H GLY 99 H GLY 99 12.765 7.351 1.314
171 HA2 GLY 99 HA2 GLY 99 15.113 5.833 0.550
172 HA3 GLY 99 HA3 GLY 99 14.861 7.562 0.361
173 H ASN 100 H ASN 100 17.303 7.037 0.912
174 HA ASN 100 HA ASN 100 18.065 6.754 3.673
175 HB2 ASN 100 HB2 ASN 100 19.512 6.146 1.778
176 HB3 ASN 100 HB3 ASN 100 19.579 7.832 1.263
177 HD21 ASN 100 HD22 ASN 100 21.942 7.656 1.467
178 HD22 ASN 100 HD21 ASN 100 22.661 7.767 3.067
179 H HIS 101 H HIS 101 16.679 8.244 4.741
180 HA HIS 101 HA HIS 101 17.272 11.161 4.491
181 HB2 HIS 101 HB2 HIS 101 14.926 10.245 4.316
182 HB3 HIS 101 HB3 HIS 101 15.026 9.743 6.004
183 HD1 HIS 101 HD1 HIS 101 14.959 11.791 7.813
184 HD2 HIS 101 HD2 HIS 101 14.645 12.838 3.747
185 HE1 HIS 101 HE1 HIS 101 14.423 14.319 7.768
186 HE2 HIS 101 HE2 HIS 101 14.159 14.929 5.266
187 H LYS 102 H LYS 102 19.210 11.383 5.582
188 HA LYS 102 HA LYS 102 20.302 9.981 7.619
189 HB2 LYS 102 HB2 LYS 102 21.430 11.718 6.295
190 HB3 LYS 102 HB3 LYS 102 20.557 12.984 7.150
191 HG2 LYS 102 HG2 LYS 102 22.833 12.853 7.932
192 HG3 LYS 102 HG3 LYS 102 21.744 12.428 9.247
193 HD2 LYS 102 HD2 LYS 102 22.232 10.025 8.908
194 HD3 LYS 102 HD3 LYS 102 23.277 10.404 7.534
195 HE2 LYS 102 HE2 LYS 102 23.730 11.392 10.395
196 HE3 LYS 102 HE3 LYS 102 24.449 9.922 9.735
197 HZ1 LYS 102 HZ1 LYS 102 24.954 12.679 8.705
198 HZ2 LYS 102 HZ2 LYS 102 26.002 11.764 9.548
199 HZ3 LYS 102 HZ3 LYS 102 25.569 11.313 8.041
200 H THR 103 H THR 103 18.135 12.750 8.374
201 HA THR 103 HA THR 103 18.369 12.668 11.177
202 HB THR 103 HB THR 103 15.724 13.157 9.757
203 HG1 THR 103 HG1 THR 103 17.819 15.052 9.967
204 HG21 THR 103 HG21 THR 103 17.007 14.489 12.170
205 HG22 THR 103 HG22 THR 103 15.484 14.984 11.396
206 HG23 THR 103 HG23 THR 103 15.603 13.400 12.175
207 H LEU 104 H LEU 104 16.479 10.480 9.113
208 HA LEU 104 HA LEU 104 15.004 9.251 11.347
209 HB2 LEU 104 HB2 LEU 104 14.104 9.361 8.990
210 HB3 LEU 104 HB3 LEU 104 15.451 8.362 8.441
211 HG LEU 104 HG LEU 104 14.655 6.511 9.939
212 HD11 LEU 104 HD11 LEU 104 12.360 6.607 10.804
213 HD12 LEU 104 HD12 LEU 104 13.356 7.822 11.601
214 HD13 LEU 104 HD13 LEU 104 12.219 8.302 10.320
215 HD21 LEU 104 HD21 LEU 104 12.564 7.530 7.984
216 HD22 LEU 104 HD22 LEU 104 14.030 6.625 7.536
217 HD23 LEU 104 HD23 LEU 104 12.783 5.856 8.532
218 H LYS 105 H LYS 105 17.832 8.448 9.247
219 HA LYS 105 HA LYS 105 18.534 5.994 10.445
220 HB2 LYS 105 HB2 LYS 105 19.487 7.224 8.345
221 HB3 LYS 105 HB3 LYS 105 20.604 8.000 9.508
222 HG2 LYS 105 HG2 LYS 105 21.388 5.771 10.229
223 HG3 LYS 105 HG3 LYS 105 20.243 4.999 9.112
224 HD2 LYS 105 HD2 LYS 105 21.400 6.070 7.194
225 HD3 LYS 105 HD3 LYS 105 22.565 6.816 8.317
226 HE2 LYS 105 HE2 LYS 105 23.250 4.556 9.097
227 HE3 LYS 105 HE3 LYS 105 22.095 3.815 7.986
228 HZ1 LYS 105 HZ1 LYS 105 23.361 4.797 6.125
229 HZ2 LYS 105 HZ2 LYS 105 24.435 5.466 7.162
230 HZ3 LYS 105 HZ3 LYS 105 24.329 3.847 7.027
231 H GLU 106 H GLU 106 19.578 9.283 11.363
232 HA GLU 106 HA GLU 106 21.130 8.565 13.587
233 HB2 GLU 106 HB2 GLU 106 19.491 11.008 12.864
234 HB3 GLU 106 HB3 GLU 106 20.123 10.874 14.501
235 HG2 GLU 106 HG2 GLU 106 22.397 10.499 13.594
236 HG3 GLU 106 HG3 GLU 106 21.757 10.742 11.951
237 H TRP 107 H TRP 107 17.597 9.105 13.461
238 HA TRP 107 HA TRP 107 17.202 8.588 16.257
239 HB2 TRP 107 HB2 TRP 107 15.242 8.350 13.948
240 HB3 TRP 107 HB3 TRP 107 14.817 8.273 15.642
241 HD1 TRP 107 HD1 TRP 107 17.274 10.903 15.631
242 HE1 TRP 107 HE1 TRP 107 16.265 13.237 15.398
243 HE3 TRP 107 HE3 TRP 107 12.567 9.614 14.026
244 HZ2 TRP 107 HZ2 TRP 107 13.815 14.404 14.553
245 HZ3 TRP 107 HZ3 TRP 107 10.885 11.397 13.585
246 HH2 TRP 107 HH2 TRP 107 11.511 13.805 13.822
247 H LYS 108 H LYS 108 17.136 6.376 13.445
248 HA LYS 108 HA LYS 108 16.361 4.000 14.930
249 HB2 LYS 108 HB2 LYS 108 18.047 4.254 12.384
250 HB3 LYS 108 HB3 LYS 108 17.342 2.744 13.019
251 HG2 LYS 108 HG2 LYS 108 15.058 3.746 12.779
252 HG3 LYS 108 HG3 LYS 108 15.767 5.173 12.075
253 HD2 LYS 108 HD2 LYS 108 15.485 4.209 10.068
254 HD3 LYS 108 HD3 LYS 108 16.881 3.195 10.469
255 HE2 LYS 108 HE2 LYS 108 15.284 1.572 11.562
256 HE3 LYS 108 HE3 LYS 108 13.934 2.583 11.033
257 HZ1 LYS 108 HZ1 LYS 108 14.259 0.758 9.507
258 HZ2 LYS 108 HZ2 LYS 108 14.631 2.136 8.704
259 HZ3 LYS 108 HZ3 LYS 108 15.831 1.142 9.224
260 H ALA 109 H ALA 109 19.515 5.492 14.299
261 HA ALA 109 HA ALA 109 21.082 3.454 15.611
262 HB1 ALA 109 HB1 ALA 109 21.685 6.393 15.069
263 HB2 ALA 109 HB2 ALA 109 22.872 5.134 15.469
264 HB3 ALA 109 HB3 ALA 109 21.972 5.048 13.939
265 H LYS 110 H LYS 110 19.582 6.458 16.769
266 HA LYS 110 HA LYS 110 20.819 6.150 19.439
267 HB2 LYS 110 HB2 LYS 110 19.359 8.448 18.099
268 HB3 LYS 110 HB3 LYS 110 19.873 8.476 19.787
269 HG2 LYS 110 HG2 LYS 110 22.199 7.977 19.125
270 HG3 LYS 110 HG3 LYS 110 21.756 7.997 17.424
271 HD2 LYS 110 HD2 LYS 110 21.344 10.410 19.239
272 HD3 LYS 110 HD3 LYS 110 22.882 10.062 18.444
273 HE2 LYS 110 HE2 LYS 110 21.758 10.082 16.216
274 HE3 LYS 110 HE3 LYS 110 20.234 10.532 17.009
275 HZ1 LYS 110 HZ1 LYS 110 22.733 12.149 17.215
276 HZ2 LYS 110 HZ2 LYS 110 21.585 12.463 16.105
277 HZ3 LYS 110 HZ3 LYS 110 21.246 12.611 17.715
278 H TRP 111 H TRP 111 17.629 5.549 18.216
279 HA TRP 111 HA TRP 111 16.816 4.851 21.021
280 HB2 TRP 111 HB2 TRP 111 15.167 6.209 18.866
281 HB3 TRP 111 HB3 TRP 111 14.472 5.477 20.303
282 HD1 TRP 111 HD1 TRP 111 15.134 6.498 22.706
283 HE1 TRP 111 HE1 TRP 111 15.829 8.850 23.444
284 HE3 TRP 111 HE3 TRP 111 16.380 8.403 18.160
285 HZ2 TRP 111 HZ2 TRP 111 16.850 11.266 22.200
286 HZ3 TRP 111 HZ3 TRP 111 17.302 10.724 17.956
287 HH2 TRP 111 HH2 TRP 111 17.509 12.161 19.970
288 H GLY 112 H GLY 112 17.357 3.533 17.967
289 HA2 GLY 112 HA2 GLY 112 17.401 1.176 17.766
290 HA3 GLY 112 HA3 GLY 112 15.962 1.003 18.752
291 HA PRO 113 HA PRO 113 15.092 1.830 14.037
292 HB2 PRO 113 HB2 PRO 113 15.378 -0.698 12.842
293 HB3 PRO 113 HB3 PRO 113 16.574 0.627 12.802
294 HG2 PRO 113 HG2 PRO 113 16.499 -1.757 14.621
295 HG3 PRO 113 HG3 PRO 113 17.911 -0.941 13.823
296 HD2 PRO 113 HD2 PRO 113 17.293 -0.581 16.436
297 HD3 PRO 113 HD3 PRO 113 17.973 0.728 15.413
298 H GLU 114 H GLU 114 14.272 -1.119 15.931
299 HA GLU 114 HA GLU 114 11.720 -1.515 14.703
300 HB2 GLU 114 HB2 GLU 114 12.832 -2.342 17.410
301 HB3 GLU 114 HB3 GLU 114 11.275 -2.894 16.777
302 HG2 GLU 114 HG2 GLU 114 12.437 -3.867 14.791
303 HG3 GLU 114 HG3 GLU 114 13.988 -3.396 15.481
304 H ALA 115 H ALA 115 12.748 0.323 17.550
305 HA ALA 115 HA ALA 115 10.122 1.150 18.436
306 HB1 ALA 115 HB1 ALA 115 11.404 2.870 19.692
307 HB2 ALA 115 HB2 ALA 115 12.119 1.252 19.877
308 HB3 ALA 115 HB3 ALA 115 12.867 2.438 18.789
309 H VAL 116 H VAL 116 12.600 2.769 16.377
310 HA VAL 116 HA VAL 116 11.007 5.054 15.754
311 HB VAL 116 HB VAL 116 13.326 3.769 14.291
312 HG11 VAL 116 HG11 VAL 116 12.144 5.232 12.699
313 HG12 VAL 116 HG12 VAL 116 12.084 6.534 13.907
314 HG13 VAL 116 HG13 VAL 116 13.641 6.010 13.228
315 HG21 VAL 116 HG21 VAL 116 13.221 6.222 16.098
316 HG22 VAL 116 HG22 VAL 116 13.775 4.642 16.643
317 HG23 VAL 116 HG23 VAL 116 14.647 5.482 15.368
318 H GLU 117 H GLU 117 11.274 1.908 13.973
319 HA GLU 117 HA GLU 117 9.449 2.754 11.881
320 HB2 GLU 117 HB2 GLU 117 10.380 0.034 12.875
321 HB3 GLU 117 HB3 GLU 117 9.180 0.222 11.583
322 HG2 GLU 117 HG2 GLU 117 10.712 1.540 10.234
323 HG3 GLU 117 HG3 GLU 117 11.924 1.538 11.509
324 H SER 118 H SER 118 8.929 1.665 15.174
325 HA SER 118 HA SER 118 6.031 1.275 14.844
326 HB2 SER 118 HB2 SER 118 7.543 1.706 17.420
327 HB3 SER 118 HB3 SER 118 5.882 1.149 17.195
328 HG SER 118 HG SER 118 8.264 -0.197 16.391
329 H TRP 119 H TRP 119 8.143 4.082 15.370
330 HA TRP 119 HA TRP 119 5.988 5.894 16.136
331 HB2 TRP 119 HB2 TRP 119 8.605 6.632 14.786
332 HB3 TRP 119 HB3 TRP 119 7.526 7.678 15.671
333 HD1 TRP 119 HD1 TRP 119 7.542 5.214 18.107
334 HE1 TRP 119 HE1 TRP 119 9.451 5.393 19.799
335 HE3 TRP 119 HE3 TRP 119 10.674 8.350 15.493
336 HZ2 TRP 119 HZ2 TRP 119 12.070 6.584 19.930
337 HZ3 TRP 119 HZ3 TRP 119 12.797 9.110 16.521
338 HH2 TRP 119 HH2 TRP 119 13.525 8.216 18.717
339 H ALA 120 H ALA 120 6.879 4.436 13.109
340 HA ALA 120 HA ALA 120 6.332 6.532 11.330
341 HB1 ALA 120 HB1 ALA 120 7.472 4.355 10.776
342 HB2 ALA 120 HB2 ALA 120 5.877 3.575 10.768
343 HB3 ALA 120 HB3 ALA 120 6.247 4.859 9.593
344 H THR 121 H THR 121 4.568 7.263 10.227
345 HA THR 121 HA THR 121 1.940 5.853 10.340
346 HB THR 121 HB THR 121 0.961 8.283 10.325
347 HG1 THR 121 HG1 THR 121 3.359 8.693 11.796
348 HG21 THR 121 HG21 THR 121 0.711 8.313 12.749
349 HG22 THR 121 HG22 THR 121 0.467 6.685 12.098
350 HG23 THR 121 HG23 THR 121 1.993 7.090 12.922
351 H LEU 122 H LEU 122 1.266 5.401 8.457
352 HA LEU 122 HA LEU 122 2.338 6.554 6.012
353 HB2 LEU 122 HB2 LEU 122 0.117 4.609 6.736
354 HB3 LEU 122 HB3 LEU 122 0.401 5.099 5.064
355 HG LEU 122 HG LEU 122 2.577 3.865 6.810
356 HD11 LEU 122 HD11 LEU 122 2.102 1.735 5.640
357 HD12 LEU 122 HD12 LEU 122 0.714 2.264 6.597
358 HD13 LEU 122 HD13 LEU 122 0.709 2.485 4.833
359 HD21 LEU 122 HD21 LEU 122 3.619 3.351 4.604
360 HD22 LEU 122 HD22 LEU 122 2.258 4.139 3.776
361 HD23 LEU 122 HD23 LEU 122 3.368 5.094 4.777
362 H LEU 123 H LEU 123 1.750 8.428 5.151
363 HA LEU 123 HA LEU 123 -0.733 9.800 5.971
364 HB2 LEU 123 HB2 LEU 123 1.360 10.570 3.892
365 HB3 LEU 123 HB3 LEU 123 0.102 11.612 4.541
366 HG LEU 123 HG LEU 123 2.550 10.558 6.017
367 HD11 LEU 123 HD11 LEU 123 1.554 13.378 5.446
368 HD12 LEU 123 HD12 LEU 123 3.079 12.915 6.230
369 HD13 LEU 123 HD13 LEU 123 2.812 12.535 4.523
370 HD21 LEU 123 HD21 LEU 123 0.141 12.081 7.122
371 HD22 LEU 123 HD22 LEU 123 0.753 10.494 7.659
372 HD23 LEU 123 HD23 LEU 123 1.700 11.951 7.951
373 H GLY 124 H GLY 124 -2.059 10.848 4.127
374 HA2 GLY 124 HA2 GLY 124 -3.243 8.760 2.495
375 HA3 GLY 124 HA3 GLY 124 -3.730 10.450 2.587
376 H HIS 125 H HIS 125 -0.447 10.328 1.807
377 HA HIS 125 HA HIS 125 -0.790 10.348 -1.142
378 HB2 HIS 125 HB2 HIS 125 0.529 12.614 0.343
379 HB3 HIS 125 HB3 HIS 125 0.248 12.431 -1.390
380 HD1 HIS 125 HD1 HIS 125 -2.535 12.403 -2.062
381 HD2 HIS 125 HD2 HIS 125 -1.268 14.019 1.630
382 HE1 HIS 125 HE1 HIS 125 -4.473 13.880 -1.208
383 HE2 HIS 125 HE2 HIS 125 -3.682 14.873 1.039
Start of MODEL 16
1 H ALA 79 H1 ALA 79 3.515 0.553 -0.960
2 HA ALA 79 HA ALA 79 4.446 1.070 -3.713
3 HB1 ALA 79 HB1 ALA 79 2.547 2.640 -3.931
4 HB2 ALA 79 HB2 ALA 79 1.966 1.004 -3.612
5 HB3 ALA 79 HB3 ALA 79 1.979 2.214 -2.306
6 H ARG 80 H ARG 80 4.715 3.559 -4.016
7 HA ARG 80 HA ARG 80 6.794 4.451 -2.181
8 HB2 ARG 80 HB2 ARG 80 5.710 5.700 -4.689
9 HB3 ARG 80 HB3 ARG 80 7.116 6.236 -3.733
10 HG2 ARG 80 HG2 ARG 80 8.128 3.946 -3.989
11 HG3 ARG 80 HG3 ARG 80 6.801 3.528 -5.082
12 HD2 ARG 80 HD2 ARG 80 8.593 4.153 -6.468
13 HD3 ARG 80 HD3 ARG 80 7.439 5.508 -6.492
14 HE ARG 80 HE ARG 80 9.497 5.859 -4.465
15 HH11 ARG 80 HH11 ARG 80 9.062 6.180 -7.932
16 HH12 ARG 80 HH12 ARG 80 10.339 7.355 -8.072
17 HH21 ARG 80 HH21 ARG 80 11.120 7.354 -4.719
18 HH22 ARG 80 HH22 ARG 80 11.473 8.000 -6.294
19 H LYS 81 H LYS 81 4.317 4.385 -0.797
20 HA LYS 81 HA LYS 81 3.092 7.019 -0.462
21 HB2 LYS 81 HB2 LYS 81 3.117 4.438 1.177
22 HB3 LYS 81 HB3 LYS 81 2.280 5.906 1.724
23 HG2 LYS 81 HG2 LYS 81 0.837 5.900 -0.236
24 HG3 LYS 81 HG3 LYS 81 1.703 4.518 -0.930
25 HD2 LYS 81 HD2 LYS 81 1.011 3.077 0.925
26 HD3 LYS 81 HD3 LYS 81 0.240 4.450 1.749
27 HE2 LYS 81 HE2 LYS 81 -1.376 4.714 -0.062
28 HE3 LYS 81 HE3 LYS 81 -0.595 3.447 -1.012
29 HZ1 LYS 81 HZ1 LYS 81 -1.773 2.920 1.679
30 HZ2 LYS 81 HZ2 LYS 81 -2.619 2.724 0.293
31 HZ3 LYS 81 HZ3 LYS 81 -1.285 1.807 0.581
32 H VAL 82 H VAL 82 3.230 8.369 1.289
33 HA VAL 82 HA VAL 82 5.964 8.804 2.352
34 HB VAL 82 HB VAL 82 3.385 10.385 2.678
35 HG11 VAL 82 HG11 VAL 82 4.903 12.222 3.506
36 HG12 VAL 82 HG12 VAL 82 4.770 10.865 4.628
37 HG13 VAL 82 HG13 VAL 82 6.221 11.043 3.604
38 HG21 VAL 82 HG21 VAL 82 4.459 11.987 1.157
39 HG22 VAL 82 HG22 VAL 82 5.900 10.953 1.044
40 HG23 VAL 82 HG23 VAL 82 4.346 10.404 0.376
41 H LYS 83 H LYS 83 6.635 8.381 4.352
42 HA LYS 83 HA LYS 83 4.691 7.574 6.490
43 HB2 LYS 83 HB2 LYS 83 7.577 6.744 5.972
44 HB3 LYS 83 HB3 LYS 83 6.825 6.614 7.574
45 HG2 LYS 83 HG2 LYS 83 5.064 5.172 6.711
46 HG3 LYS 83 HG3 LYS 83 5.755 5.254 5.075
47 HD2 LYS 83 HD2 LYS 83 7.766 4.125 5.765
48 HD3 LYS 83 HD3 LYS 83 7.351 4.264 7.487
49 HE2 LYS 83 HE2 LYS 83 5.433 2.773 7.208
50 HE3 LYS 83 HE3 LYS 83 5.720 2.673 5.457
51 HZ1 LYS 83 HZ1 LYS 83 7.614 1.679 7.546
52 HZ2 LYS 83 HZ2 LYS 83 6.650 0.740 6.620
53 HZ3 LYS 83 HZ3 LYS 83 7.861 1.587 5.928
54 H GLN 84 H GLN 84 4.410 9.029 7.957
55 HA GLN 84 HA GLN 84 6.365 11.200 8.499
56 HB2 GLN 84 HB2 GLN 84 3.925 11.682 8.292
57 HB3 GLN 84 HB3 GLN 84 3.596 10.601 9.633
58 HG2 GLN 84 HG2 GLN 84 4.923 12.079 11.136
59 HG3 GLN 84 HG3 GLN 84 5.278 13.146 9.776
60 HE21 GLN 84 HE22 GLN 84 3.452 14.478 8.864
61 HE22 GLN 84 HE21 GLN 84 2.015 14.673 9.862
62 H TYR 85 H TYR 85 7.372 11.347 10.507
63 HA TYR 85 HA TYR 85 7.047 9.133 12.491
64 HB2 TYR 85 HB2 TYR 85 9.691 10.236 11.441
65 HB3 TYR 85 HB3 TYR 85 9.524 9.200 12.832
66 HD1 TYR 85 HD1 TYR 85 9.079 9.302 9.111
67 HD2 TYR 85 HD2 TYR 85 9.560 6.859 12.631
68 HE1 TYR 85 HE1 TYR 85 9.497 7.321 7.675
69 HE2 TYR 85 HE2 TYR 85 10.012 4.881 11.196
70 HH TYR 85 HH TYR 85 10.016 5.060 7.612
71 H LYS 86 H LYS 86 7.399 9.817 14.619
72 HA LYS 86 HA LYS 86 8.033 12.691 15.127
73 HB2 LYS 86 HB2 LYS 86 5.581 12.346 15.236
74 HB3 LYS 86 HB3 LYS 86 5.816 11.038 16.418
75 HG2 LYS 86 HG2 LYS 86 6.707 12.623 18.061
76 HG3 LYS 86 HG3 LYS 86 6.634 13.939 16.878
77 HD2 LYS 86 HD2 LYS 86 4.166 13.690 16.753
78 HD3 LYS 86 HD3 LYS 86 4.239 12.377 17.951
79 HE2 LYS 86 HE2 LYS 86 5.246 13.948 19.599
80 HE3 LYS 86 HE3 LYS 86 5.182 15.252 18.407
81 HZ1 LYS 86 HZ1 LYS 86 3.265 15.342 19.907
82 HZ2 LYS 86 HZ2 LYS 86 2.739 15.032 18.396
83 HZ3 LYS 86 HZ3 LYS 86 2.796 13.835 19.510
84 H ASN 87 H ASN 87 9.275 13.073 16.909
85 HA ASN 87 HA ASN 87 10.364 10.659 18.342
86 HB2 ASN 87 HB2 ASN 87 11.866 11.645 16.677
87 HB3 ASN 87 HB3 ASN 87 11.850 13.180 17.544
88 HD21 ASN 87 HD22 ASN 87 14.272 12.155 17.182
89 HD22 ASN 87 HD21 ASN 87 14.862 11.357 18.633
90 HA PRO 88 HA PRO 88 8.293 12.951 21.772
91 HB2 PRO 88 HB2 PRO 88 9.202 10.318 22.973
92 HB3 PRO 88 HB3 PRO 88 7.716 11.255 23.325
93 HG2 PRO 88 HG2 PRO 88 7.621 9.139 21.634
94 HG3 PRO 88 HG3 PRO 88 6.749 10.655 21.221
95 HD2 PRO 88 HD2 PRO 88 9.368 9.627 20.150
96 HD3 PRO 88 HD3 PRO 88 8.044 10.498 19.313
97 H HIS 89 H HIS 89 11.578 11.614 21.625
98 HA HIS 89 HA HIS 89 12.539 12.644 24.133
99 HB2 HIS 89 HB2 HIS 89 14.128 12.057 21.598
100 HB3 HIS 89 HB3 HIS 89 14.768 12.192 23.230
101 HD1 HIS 89 HD1 HIS 89 13.131 9.715 20.927
102 HD2 HIS 89 HD2 HIS 89 13.950 10.220 25.043
103 HE1 HIS 89 HE1 HIS 89 12.791 7.385 22.048
104 HE2 HIS 89 HE2 HIS 89 13.308 7.717 24.549
105 H THR 90 H THR 90 12.190 14.192 20.989
106 HA THR 90 HA THR 90 13.278 16.760 22.108
107 HB THR 90 HB THR 90 14.084 17.270 19.880
108 HG1 THR 90 HG1 THR 90 13.862 15.871 18.237
109 HG21 THR 90 HG21 THR 90 14.908 14.405 20.532
110 HG22 THR 90 HG22 THR 90 15.840 15.608 19.612
111 HG23 THR 90 HG23 THR 90 15.565 15.846 21.349
112 H GLY 91 H GLY 91 10.536 15.273 20.603
113 HA2 GLY 91 HA2 GLY 91 8.405 16.218 20.293
114 HA3 GLY 91 HA3 GLY 91 9.081 17.846 20.412
115 H GLU 92 H GLU 92 11.115 16.177 18.329
116 HA GLU 92 HA GLU 92 10.320 17.610 16.009
117 HB2 GLU 92 HB2 GLU 92 12.276 15.422 16.668
118 HB3 GLU 92 HB3 GLU 92 11.836 15.607 14.980
119 HG2 GLU 92 HG2 GLU 92 12.513 17.718 14.757
120 HG3 GLU 92 HG3 GLU 92 12.573 18.064 16.510
121 H VAL 93 H VAL 93 9.522 17.051 14.059
122 HA VAL 93 HA VAL 93 8.380 14.362 13.574
123 HB VAL 93 HB VAL 93 7.211 17.037 12.782
124 HG11 VAL 93 HG11 VAL 93 6.079 14.216 12.481
125 HG12 VAL 93 HG12 VAL 93 5.207 15.713 12.092
126 HG13 VAL 93 HG13 VAL 93 6.625 15.259 11.146
127 HG21 VAL 93 HG21 VAL 93 5.362 16.552 14.332
128 HG22 VAL 93 HG22 VAL 93 6.252 15.121 14.909
129 HG23 VAL 93 HG23 VAL 93 6.929 16.762 15.135
130 H ILE 94 H ILE 94 8.713 13.599 11.517
131 HA ILE 94 HA ILE 94 9.811 15.309 9.385
132 HB ILE 94 HB ILE 94 11.534 13.626 8.787
133 HG12 ILE 94 HG12 ILE 94 10.916 12.388 11.496
134 HG13 ILE 94 HG13 ILE 94 10.580 11.670 9.925
135 HG21 ILE 94 HG21 ILE 94 12.063 15.701 10.030
136 HG22 ILE 94 HG22 ILE 94 12.001 14.787 11.555
137 HG23 ILE 94 HG23 ILE 94 13.217 14.397 10.320
138 HD11 ILE 94 HD11 ILE 94 13.349 12.213 11.057
139 HD12 ILE 94 HD12 ILE 94 12.545 10.652 10.885
140 HD13 ILE 94 HD13 ILE 94 12.990 11.563 9.428
141 H GLU 95 H GLU 95 9.757 14.260 7.338
142 HA GLU 95 HA GLU 95 7.934 11.933 6.985
143 HB2 GLU 95 HB2 GLU 95 7.590 14.719 5.815
144 HB3 GLU 95 HB3 GLU 95 6.908 13.281 5.030
145 HG2 GLU 95 HG2 GLU 95 5.547 12.762 6.929
146 HG3 GLU 95 HG3 GLU 95 6.327 14.001 7.915
147 H THR 96 H THR 96 8.496 10.589 5.412
148 HA THR 96 HA THR 96 10.189 11.386 3.128
149 HB THR 96 HB THR 96 11.938 10.884 4.640
150 HG1 THR 96 HG1 THR 96 12.868 9.172 3.606
151 HG21 THR 96 HG21 THR 96 12.143 8.724 5.854
152 HG22 THR 96 HG22 THR 96 10.812 9.715 6.469
153 HG23 THR 96 HG23 THR 96 10.466 8.324 5.408
154 H LYS 97 H LYS 97 10.301 9.682 1.471
155 HA LYS 97 HA LYS 97 7.908 7.885 1.421
156 HB2 LYS 97 HB2 LYS 97 9.912 8.713 -0.725
157 HB3 LYS 97 HB3 LYS 97 8.623 7.524 -0.971
158 HG2 LYS 97 HG2 LYS 97 6.914 9.200 -0.382
159 HG3 LYS 97 HG3 LYS 97 8.177 10.424 -0.163
160 HD2 LYS 97 HD2 LYS 97 8.845 10.160 -2.540
161 HD3 LYS 97 HD3 LYS 97 7.574 8.929 -2.758
162 HE2 LYS 97 HE2 LYS 97 5.845 10.600 -2.140
163 HE3 LYS 97 HE3 LYS 97 7.098 11.822 -1.900
164 HZ1 LYS 97 HZ1 LYS 97 6.500 10.500 -4.507
165 HZ2 LYS 97 HZ2 LYS 97 6.085 12.026 -4.108
166 HZ3 LYS 97 HZ3 LYS 97 7.658 11.630 -4.277
167 H GLY 98 H GLY 98 10.948 7.606 2.649
168 HA2 GLY 98 HA2 GLY 98 11.491 5.481 3.685
169 HA3 GLY 98 HA3 GLY 98 10.983 4.631 2.230
170 H GLY 99 H GLY 99 12.793 7.385 1.350
171 HA2 GLY 99 HA2 GLY 99 15.095 5.837 0.473
172 HA3 GLY 99 HA3 GLY 99 14.861 7.575 0.321
173 H ASN 100 H ASN 100 17.315 7.018 0.821
174 HA ASN 100 HA ASN 100 18.126 6.693 3.563
175 HB2 ASN 100 HB2 ASN 100 19.544 6.113 1.631
176 HB3 ASN 100 HB3 ASN 100 19.605 7.810 1.145
177 HD21 ASN 100 HD22 ASN 100 21.962 7.661 1.316
178 HD22 ASN 100 HD21 ASN 100 22.709 7.726 2.902
179 H HIS 101 H HIS 101 16.761 8.150 4.684
180 HA HIS 101 HA HIS 101 17.341 11.073 4.454
181 HB2 HIS 101 HB2 HIS 101 15.003 10.139 4.269
182 HB3 HIS 101 HB3 HIS 101 15.102 9.628 5.950
183 HD1 HIS 101 HD1 HIS 101 14.838 11.630 7.764
184 HD2 HIS 101 HD2 HIS 101 14.802 12.755 3.705
185 HE1 HIS 101 HE1 HIS 101 14.272 14.154 7.725
186 HE2 HIS 101 HE2 HIS 101 14.189 14.807 5.227
187 H LYS 102 H LYS 102 19.283 11.289 5.523
188 HA LYS 102 HA LYS 102 20.389 9.857 7.543
189 HB2 LYS 102 HB2 LYS 102 21.524 11.571 6.199
190 HB3 LYS 102 HB3 LYS 102 20.683 12.851 7.053
191 HG2 LYS 102 HG2 LYS 102 22.961 12.688 7.811
192 HG3 LYS 102 HG3 LYS 102 21.873 12.294 9.136
193 HD2 LYS 102 HD2 LYS 102 22.320 9.880 8.820
194 HD3 LYS 102 HD3 LYS 102 23.372 10.230 7.443
195 HE2 LYS 102 HE2 LYS 102 23.820 11.248 10.294
196 HE3 LYS 102 HE3 LYS 102 24.514 9.752 9.664
197 HZ1 LYS 102 HZ1 LYS 102 25.088 12.478 8.591
198 HZ2 LYS 102 HZ2 LYS 102 26.107 11.558 9.462
199 HZ3 LYS 102 HZ3 LYS 102 25.683 11.083 7.964
200 H THR 103 H THR 103 18.304 12.686 8.284
201 HA THR 103 HA THR 103 18.537 12.621 11.084
202 HB THR 103 HB THR 103 15.998 13.259 9.517
203 HG1 THR 103 HG1 THR 103 16.914 15.375 9.469
204 HG21 THR 103 HG21 THR 103 15.610 13.277 11.945
205 HG22 THR 103 HG22 THR 103 17.030 14.321 12.186
206 HG23 THR 103 HG23 THR 103 15.600 14.920 11.305
207 H LEU 104 H LEU 104 16.542 10.476 9.060
208 HA LEU 104 HA LEU 104 15.069 9.297 11.334
209 HB2 LEU 104 HB2 LEU 104 14.124 9.391 9.005
210 HB3 LEU 104 HB3 LEU 104 15.457 8.385 8.429
211 HG LEU 104 HG LEU 104 14.674 6.532 9.914
212 HD11 LEU 104 HD11 LEU 104 13.432 7.852 11.620
213 HD12 LEU 104 HD12 LEU 104 12.258 8.334 10.375
214 HD13 LEU 104 HD13 LEU 104 12.410 6.639 10.853
215 HD21 LEU 104 HD21 LEU 104 12.758 5.911 8.550
216 HD22 LEU 104 HD22 LEU 104 12.539 7.598 8.028
217 HD23 LEU 104 HD23 LEU 104 13.985 6.681 7.529
218 H LYS 105 H LYS 105 17.859 8.416 9.211
219 HA LYS 105 HA LYS 105 18.514 5.955 10.421
220 HB2 LYS 105 HB2 LYS 105 19.476 7.166 8.307
221 HB3 LYS 105 HB3 LYS 105 20.627 7.902 9.463
222 HG2 LYS 105 HG2 LYS 105 21.353 5.648 10.167
223 HG3 LYS 105 HG3 LYS 105 20.182 4.912 9.057
224 HD2 LYS 105 HD2 LYS 105 21.358 5.953 7.128
225 HD3 LYS 105 HD3 LYS 105 22.536 6.684 8.243
226 HE2 LYS 105 HE2 LYS 105 23.190 4.411 9.030
227 HE3 LYS 105 HE3 LYS 105 22.018 3.689 7.922
228 HZ1 LYS 105 HZ1 LYS 105 23.292 4.641 6.056
229 HZ2 LYS 105 HZ2 LYS 105 24.380 5.303 7.082
230 HZ3 LYS 105 HZ3 LYS 105 24.249 3.681 6.959
231 H GLU 106 H GLU 106 19.638 9.222 11.317
232 HA GLU 106 HA GLU 106 21.167 8.459 13.546
233 HB2 GLU 106 HB2 GLU 106 19.651 10.975 12.811
234 HB3 GLU 106 HB3 GLU 106 20.312 10.811 14.442
235 HG2 GLU 106 HG2 GLU 106 22.538 10.325 13.524
236 HG3 GLU 106 HG3 GLU 106 21.897 10.541 11.876
237 H TRP 107 H TRP 107 17.658 9.176 13.423
238 HA TRP 107 HA TRP 107 17.199 8.688 16.201
239 HB2 TRP 107 HB2 TRP 107 15.280 8.379 13.864
240 HB3 TRP 107 HB3 TRP 107 14.830 8.358 15.556
241 HD1 TRP 107 HD1 TRP 107 17.317 11.023 15.297
242 HE1 TRP 107 HE1 TRP 107 16.251 13.326 15.065
243 HE3 TRP 107 HE3 TRP 107 12.528 9.604 14.095
244 HZ2 TRP 107 HZ2 TRP 107 13.715 14.426 14.391
245 HZ3 TRP 107 HZ3 TRP 107 10.787 11.345 13.707
246 HH2 TRP 107 HH2 TRP 107 11.376 13.764 13.844
247 H LYS 108 H LYS 108 17.174 6.407 13.448
248 HA LYS 108 HA LYS 108 16.349 4.060 14.961
249 HB2 LYS 108 HB2 LYS 108 18.028 4.270 12.408
250 HB3 LYS 108 HB3 LYS 108 17.324 2.766 13.063
251 HG2 LYS 108 HG2 LYS 108 15.049 3.743 12.823
252 HG3 LYS 108 HG3 LYS 108 15.728 5.193 12.140
253 HD2 LYS 108 HD2 LYS 108 15.480 4.257 10.115
254 HD3 LYS 108 HD3 LYS 108 16.872 3.239 10.507
255 HE2 LYS 108 HE2 LYS 108 15.273 1.600 11.577
256 HE3 LYS 108 HE3 LYS 108 13.928 2.613 11.043
257 HZ1 LYS 108 HZ1 LYS 108 14.636 2.199 8.722
258 HZ2 LYS 108 HZ2 LYS 108 15.845 1.210 9.228
259 HZ3 LYS 108 HZ3 LYS 108 14.272 0.803 9.501
260 H ALA 109 H ALA 109 19.537 5.471 14.307
261 HA ALA 109 HA ALA 109 21.033 3.399 15.660
262 HB1 ALA 109 HB1 ALA 109 21.751 6.289 15.019
263 HB2 ALA 109 HB2 ALA 109 22.892 5.003 15.467
264 HB3 ALA 109 HB3 ALA 109 21.982 4.898 13.947
265 H LYS 110 H LYS 110 19.685 6.509 16.733
266 HA LYS 110 HA LYS 110 20.922 6.418 19.377
267 HB2 LYS 110 HB2 LYS 110 18.846 8.218 18.099
268 HB3 LYS 110 HB3 LYS 110 19.441 8.460 19.746
269 HG2 LYS 110 HG2 LYS 110 21.709 8.809 18.980
270 HG3 LYS 110 HG3 LYS 110 21.300 8.346 17.330
271 HD2 LYS 110 HD2 LYS 110 19.649 10.321 17.306
272 HD3 LYS 110 HD3 LYS 110 20.399 10.835 18.837
273 HE2 LYS 110 HE2 LYS 110 22.644 10.825 17.659
274 HE3 LYS 110 HE3 LYS 110 21.818 10.411 16.151
275 HZ1 LYS 110 HZ1 LYS 110 22.005 12.713 16.038
276 HZ2 LYS 110 HZ2 LYS 110 20.488 12.581 16.615
277 HZ3 LYS 110 HZ3 LYS 110 21.706 12.966 17.640
278 H TRP 111 H TRP 111 17.671 5.622 18.232
279 HA TRP 111 HA TRP 111 16.923 4.794 21.014
280 HB2 TRP 111 HB2 TRP 111 15.269 6.230 18.908
281 HB3 TRP 111 HB3 TRP 111 14.641 5.622 20.435
282 HD1 TRP 111 HD1 TRP 111 16.049 6.545 22.701
283 HE1 TRP 111 HE1 TRP 111 16.901 8.900 23.244
284 HE3 TRP 111 HE3 TRP 111 15.934 8.535 17.999
285 HZ2 TRP 111 HZ2 TRP 111 17.637 11.286 21.787
286 HZ3 TRP 111 HZ3 TRP 111 16.828 10.834 17.593
287 HH2 TRP 111 HH2 TRP 111 17.654 12.213 19.471
288 H GLY 112 H GLY 112 17.408 3.437 18.006
289 HA2 GLY 112 HA2 GLY 112 17.326 1.082 17.849
290 HA3 GLY 112 HA3 GLY 112 15.866 1.013 18.815
291 HA PRO 113 HA PRO 113 15.076 1.860 14.085
292 HB2 PRO 113 HB2 PRO 113 15.360 -0.663 12.862
293 HB3 PRO 113 HB3 PRO 113 16.557 0.663 12.829
294 HG2 PRO 113 HG2 PRO 113 16.477 -1.724 14.645
295 HG3 PRO 113 HG3 PRO 113 17.890 -0.926 13.836
296 HD2 PRO 113 HD2 PRO 113 17.312 -0.546 16.446
297 HD3 PRO 113 HD3 PRO 113 17.949 0.776 15.415
298 H GLU 114 H GLU 114 14.247 -1.085 15.972
299 HA GLU 114 HA GLU 114 11.700 -1.482 14.740
300 HB2 GLU 114 HB2 GLU 114 12.806 -2.313 17.448
301 HB3 GLU 114 HB3 GLU 114 11.248 -2.857 16.809
302 HG2 GLU 114 HG2 GLU 114 12.401 -3.839 14.833
303 HG3 GLU 114 HG3 GLU 114 13.960 -3.365 15.510
304 H ALA 115 H ALA 115 12.717 0.358 17.582
305 HA ALA 115 HA ALA 115 10.077 1.183 18.446
306 HB1 ALA 115 HB1 ALA 115 12.042 1.281 19.923
307 HB2 ALA 115 HB2 ALA 115 12.824 2.452 18.842
308 HB3 ALA 115 HB3 ALA 115 11.355 2.909 19.719
309 H VAL 116 H VAL 116 12.597 2.799 16.434
310 HA VAL 116 HA VAL 116 11.021 5.088 15.789
311 HB VAL 116 HB VAL 116 13.346 3.797 14.346
312 HG11 VAL 116 HG11 VAL 116 12.145 6.583 13.981
313 HG12 VAL 116 HG12 VAL 116 13.691 6.033 13.299
314 HG13 VAL 116 HG13 VAL 116 12.176 5.288 12.768
315 HG21 VAL 116 HG21 VAL 116 13.834 4.624 16.696
316 HG22 VAL 116 HG22 VAL 116 14.656 5.545 15.448
317 HG23 VAL 116 HG23 VAL 116 13.216 6.202 16.223
318 H GLU 117 H GLU 117 11.289 1.939 13.996
319 HA GLU 117 HA GLU 117 9.483 2.808 11.898
320 HB2 GLU 117 HB2 GLU 117 10.394 0.083 12.877
321 HB3 GLU 117 HB3 GLU 117 9.197 0.282 11.584
322 HG2 GLU 117 HG2 GLU 117 10.739 1.587 10.240
323 HG3 GLU 117 HG3 GLU 117 11.948 1.575 11.519
324 H SER 118 H SER 118 8.940 1.684 15.188
325 HA SER 118 HA SER 118 6.052 1.299 14.834
326 HB2 SER 118 HB2 SER 118 7.539 1.735 17.429
327 HB3 SER 118 HB3 SER 118 5.885 1.170 17.185
328 HG SER 118 HG SER 118 8.279 -0.164 16.387
329 H TRP 119 H TRP 119 8.143 4.113 15.361
330 HA TRP 119 HA TRP 119 5.979 5.921 16.121
331 HB2 TRP 119 HB2 TRP 119 8.600 6.652 14.776
332 HB3 TRP 119 HB3 TRP 119 7.520 7.709 15.633
333 HD1 TRP 119 HD1 TRP 119 7.464 5.294 18.097
334 HE1 TRP 119 HE1 TRP 119 9.335 5.479 19.827
335 HE3 TRP 119 HE3 TRP 119 10.715 8.344 15.502
336 HZ2 TRP 119 HZ2 TRP 119 11.937 6.634 20.015
337 HZ3 TRP 119 HZ3 TRP 119 12.817 9.086 16.581
338 HH2 TRP 119 HH2 TRP 119 13.471 8.215 18.807
339 H ALA 120 H ALA 120 6.852 4.437 13.110
340 HA ALA 120 HA ALA 120 6.296 6.538 11.327
341 HB1 ALA 120 HB1 ALA 120 6.247 4.871 9.588
342 HB2 ALA 120 HB2 ALA 120 7.498 4.419 10.762
343 HB3 ALA 120 HB3 ALA 120 5.931 3.577 10.760
344 H THR 121 H THR 121 4.528 7.280 10.274
345 HA THR 121 HA THR 121 1.954 5.756 10.245
346 HB THR 121 HB THR 121 0.913 8.168 10.212
347 HG1 THR 121 HG1 THR 121 1.966 9.542 11.717
348 HG21 THR 121 HG21 THR 121 0.365 6.433 11.855
349 HG22 THR 121 HG22 THR 121 1.791 6.893 12.827
350 HG23 THR 121 HG23 THR 121 0.443 8.035 12.601
351 H LEU 122 H LEU 122 1.411 5.269 8.340
352 HA LEU 122 HA LEU 122 2.400 6.475 5.906
353 HB2 LEU 122 HB2 LEU 122 0.104 4.612 6.630
354 HB3 LEU 122 HB3 LEU 122 0.425 5.073 4.959
355 HG LEU 122 HG LEU 122 2.524 3.744 6.731
356 HD11 LEU 122 HD11 LEU 122 1.943 1.635 5.578
357 HD12 LEU 122 HD12 LEU 122 0.573 2.237 6.521
358 HD13 LEU 122 HD13 LEU 122 0.590 2.446 4.757
359 HD21 LEU 122 HD21 LEU 122 3.372 4.919 4.685
360 HD22 LEU 122 HD22 LEU 122 3.549 3.160 4.547
361 HD23 LEU 122 HD23 LEU 122 2.238 3.987 3.689
362 H LEU 123 H LEU 123 1.592 8.114 4.691
363 HA LEU 123 HA LEU 123 -0.777 9.574 5.748
364 HB2 LEU 123 HB2 LEU 123 1.408 10.557 3.883
365 HB3 LEU 123 HB3 LEU 123 0.121 11.521 4.586
366 HG LEU 123 HG LEU 123 2.517 10.321 6.020
367 HD11 LEU 123 HD11 LEU 123 2.794 12.455 4.768
368 HD12 LEU 123 HD12 LEU 123 1.476 13.174 5.707
369 HD13 LEU 123 HD13 LEU 123 2.968 12.676 6.516
370 HD21 LEU 123 HD21 LEU 123 0.624 10.061 7.570
371 HD22 LEU 123 HD22 LEU 123 1.586 11.444 8.086
372 HD23 LEU 123 HD23 LEU 123 0.067 11.713 7.218
373 H GLY 124 H GLY 124 -1.555 7.411 4.456
374 HA2 GLY 124 HA2 GLY 124 -3.426 8.355 2.571
375 HA3 GLY 124 HA3 GLY 124 -2.106 7.644 1.642
376 H HIS 125 H HIS 125 -4.361 6.508 1.156
377 HA HIS 125 HA HIS 125 -4.347 3.854 2.502
378 HB2 HIS 125 HB2 HIS 125 -5.983 5.088 3.652
379 HB3 HIS 125 HB3 HIS 125 -6.779 5.595 2.155
380 HD1 HIS 125 HD1 HIS 125 -6.403 2.526 4.437
381 HD2 HIS 125 HD2 HIS 125 -8.361 3.798 0.919
382 HE1 HIS 125 HE1 HIS 125 -8.167 0.723 3.899
383 HE2 HIS 125 HE2 HIS 125 -9.359 1.505 1.748
Start of MODEL 17
1 H ALA 79 H1 ALA 79 4.099 0.417 0.931
2 HA ALA 79 HA ALA 79 3.344 0.123 -1.908
3 HB1 ALA 79 HB1 ALA 79 1.365 -0.074 -0.418
4 HB2 ALA 79 HB2 ALA 79 1.784 1.468 0.364
5 HB3 ALA 79 HB3 ALA 79 1.308 1.430 -1.344
6 H ARG 80 H ARG 80 2.966 2.263 -2.983
7 HA ARG 80 HA ARG 80 5.314 3.991 -2.697
8 HB2 ARG 80 HB2 ARG 80 3.056 4.010 -4.671
9 HB3 ARG 80 HB3 ARG 80 4.484 5.078 -4.664
10 HG2 ARG 80 HG2 ARG 80 5.982 3.076 -4.714
11 HG3 ARG 80 HG3 ARG 80 4.555 2.034 -4.809
12 HD2 ARG 80 HD2 ARG 80 5.377 2.265 -7.003
13 HD3 ARG 80 HD3 ARG 80 3.878 3.222 -6.888
14 HE ARG 80 HE ARG 80 6.204 4.861 -6.369
15 HH11 ARG 80 HH11 ARG 80 4.546 3.398 -9.090
16 HH12 ARG 80 HH12 ARG 80 5.133 4.592 -10.214
17 HH21 ARG 80 HH21 ARG 80 6.917 6.354 -7.855
18 HH22 ARG 80 HH22 ARG 80 6.461 6.211 -9.526
19 H LYS 81 H LYS 81 4.515 4.510 -0.408
20 HA LYS 81 HA LYS 81 2.920 7.060 -0.337
21 HB2 LYS 81 HB2 LYS 81 2.608 4.557 1.390
22 HB3 LYS 81 HB3 LYS 81 1.968 6.141 1.863
23 HG2 LYS 81 HG2 LYS 81 0.591 6.224 -0.187
24 HG3 LYS 81 HG3 LYS 81 1.195 4.619 -0.666
25 HD2 LYS 81 HD2 LYS 81 0.227 3.624 1.376
26 HD3 LYS 81 HD3 LYS 81 -0.357 5.222 1.891
27 HE2 LYS 81 HE2 LYS 81 -1.721 5.396 -0.181
28 HE3 LYS 81 HE3 LYS 81 -1.149 3.804 -0.700
29 HZ1 LYS 81 HZ1 LYS 81 -3.330 3.656 0.379
30 HZ2 LYS 81 HZ2 LYS 81 -2.238 2.843 1.281
31 HZ3 LYS 81 HZ3 LYS 81 -2.763 4.316 1.758
32 H VAL 82 H VAL 82 3.272 8.395 1.388
33 HA VAL 82 HA VAL 82 6.056 8.578 2.334
34 HB VAL 82 HB VAL 82 3.576 10.290 2.778
35 HG11 VAL 82 HG11 VAL 82 6.432 10.840 3.698
36 HG12 VAL 82 HG12 VAL 82 5.150 12.060 3.598
37 HG13 VAL 82 HG13 VAL 82 4.968 10.715 4.715
38 HG21 VAL 82 HG21 VAL 82 6.085 10.804 1.129
39 HG22 VAL 82 HG22 VAL 82 4.513 10.310 0.460
40 HG23 VAL 82 HG23 VAL 82 4.678 11.871 1.268
41 H LYS 83 H LYS 83 6.800 8.180 4.367
42 HA LYS 83 HA LYS 83 4.878 7.359 6.526
43 HB2 LYS 83 HB2 LYS 83 7.807 6.668 6.039
44 HB3 LYS 83 HB3 LYS 83 7.056 6.561 7.639
45 HG2 LYS 83 HG2 LYS 83 5.358 5.003 6.794
46 HG3 LYS 83 HG3 LYS 83 6.110 5.041 5.183
47 HD2 LYS 83 HD2 LYS 83 8.152 4.050 6.030
48 HD3 LYS 83 HD3 LYS 83 7.620 4.227 7.709
49 HE2 LYS 83 HE2 LYS 83 5.832 2.619 7.416
50 HE3 LYS 83 HE3 LYS 83 6.152 2.493 5.681
51 HZ1 LYS 83 HZ1 LYS 83 8.103 1.669 7.807
52 HZ2 LYS 83 HZ2 LYS 83 7.170 0.649 6.938
53 HZ3 LYS 83 HZ3 LYS 83 8.329 1.525 6.194
54 H GLN 84 H GLN 84 4.477 8.873 7.906
55 HA GLN 84 HA GLN 84 6.336 11.138 8.446
56 HB2 GLN 84 HB2 GLN 84 3.906 11.572 8.109
57 HB3 GLN 84 HB3 GLN 84 3.518 10.480 9.432
58 HG2 GLN 84 HG2 GLN 84 4.718 11.991 11.016
59 HG3 GLN 84 HG3 GLN 84 5.131 13.068 9.678
60 HE21 GLN 84 HE22 GLN 84 3.341 14.369 8.675
61 HE22 GLN 84 HE21 GLN 84 1.835 14.519 9.574
62 H TYR 85 H TYR 85 7.272 11.360 10.472
63 HA TYR 85 HA TYR 85 6.943 9.189 12.497
64 HB2 TYR 85 HB2 TYR 85 9.604 10.298 11.510
65 HB3 TYR 85 HB3 TYR 85 9.398 9.211 12.860
66 HD1 TYR 85 HD1 TYR 85 9.113 9.473 9.137
67 HD2 TYR 85 HD2 TYR 85 9.355 6.860 12.559
68 HE1 TYR 85 HE1 TYR 85 9.608 7.548 7.643
69 HE2 TYR 85 HE2 TYR 85 9.883 4.941 11.074
70 HH TYR 85 HH TYR 85 10.330 4.280 8.922
71 H LYS 86 H LYS 86 7.359 9.875 14.613
72 HA LYS 86 HA LYS 86 8.025 12.741 15.123
73 HB2 LYS 86 HB2 LYS 86 5.569 12.421 15.316
74 HB3 LYS 86 HB3 LYS 86 5.831 11.108 16.478
75 HG2 LYS 86 HG2 LYS 86 6.778 12.637 18.111
76 HG3 LYS 86 HG3 LYS 86 6.768 13.970 16.945
77 HD2 LYS 86 HD2 LYS 86 4.290 13.866 16.843
78 HD3 LYS 86 HD3 LYS 86 4.301 12.525 18.010
79 HE2 LYS 86 HE2 LYS 86 5.406 13.998 19.686
80 HE3 LYS 86 HE3 LYS 86 5.398 15.329 18.527
81 HZ1 LYS 86 HZ1 LYS 86 2.950 15.241 18.540
82 HZ2 LYS 86 HZ2 LYS 86 2.959 14.015 19.624
83 HZ3 LYS 86 HZ3 LYS 86 3.509 15.487 20.052
84 H ASN 87 H ASN 87 9.326 13.062 16.898
85 HA ASN 87 HA ASN 87 10.410 10.584 18.223
86 HB2 ASN 87 HB2 ASN 87 11.912 11.655 16.637
87 HB3 ASN 87 HB3 ASN 87 11.862 13.159 17.556
88 HD21 ASN 87 HD22 ASN 87 14.277 11.790 17.030
89 HD22 ASN 87 HD21 ASN 87 14.854 11.116 18.551
90 HA PRO 88 HA PRO 88 8.361 12.622 21.813
91 HB2 PRO 88 HB2 PRO 88 9.308 9.934 22.842
92 HB3 PRO 88 HB3 PRO 88 7.814 10.836 23.259
93 HG2 PRO 88 HG2 PRO 88 7.720 8.816 21.466
94 HG3 PRO 88 HG3 PRO 88 6.845 10.344 21.131
95 HD2 PRO 88 HD2 PRO 88 9.487 9.407 20.016
96 HD3 PRO 88 HD3 PRO 88 8.139 10.265 19.206
97 H HIS 89 H HIS 89 11.658 11.307 21.517
98 HA HIS 89 HA HIS 89 12.560 12.321 24.107
99 HB2 HIS 89 HB2 HIS 89 14.195 11.289 21.752
100 HB3 HIS 89 HB3 HIS 89 14.754 11.524 23.396
101 HD1 HIS 89 HD1 HIS 89 13.616 9.822 25.292
102 HD2 HIS 89 HD2 HIS 89 12.975 9.000 21.196
103 HE1 HIS 89 HE1 HIS 89 12.761 7.397 25.169
104 HE2 HIS 89 HE2 HIS 89 12.372 6.892 22.678
105 H THR 90 H THR 90 12.293 13.752 20.935
106 HA THR 90 HA THR 90 13.887 16.133 21.845
107 HB THR 90 HB THR 90 14.594 16.436 19.564
108 HG1 THR 90 HG1 THR 90 13.957 15.001 17.977
109 HG21 THR 90 HG21 THR 90 15.910 14.771 20.923
110 HG22 THR 90 HG22 THR 90 14.927 13.471 20.200
111 HG23 THR 90 HG23 THR 90 15.975 14.478 19.175
112 H GLY 91 H GLY 91 10.864 15.072 20.465
113 HA2 GLY 91 HA2 GLY 91 8.875 16.331 20.398
114 HA3 GLY 91 HA3 GLY 91 9.792 17.836 20.433
115 H GLU 92 H GLU 92 11.424 16.081 18.160
116 HA GLU 92 HA GLU 92 10.412 17.631 15.976
117 HB2 GLU 92 HB2 GLU 92 12.529 15.534 16.390
118 HB3 GLU 92 HB3 GLU 92 11.946 15.762 14.745
119 HG2 GLU 92 HG2 GLU 92 12.396 17.985 14.653
120 HG3 GLU 92 HG3 GLU 92 12.778 18.114 16.395
121 H VAL 93 H VAL 93 9.531 17.082 14.036
122 HA VAL 93 HA VAL 93 8.387 14.385 13.583
123 HB VAL 93 HB VAL 93 7.204 17.075 12.836
124 HG11 VAL 93 HG11 VAL 93 6.023 14.270 12.566
125 HG12 VAL 93 HG12 VAL 93 5.177 15.786 12.192
126 HG13 VAL 93 HG13 VAL 93 6.565 15.296 11.220
127 HG21 VAL 93 HG21 VAL 93 5.405 16.594 14.460
128 HG22 VAL 93 HG22 VAL 93 6.304 15.151 14.994
129 HG23 VAL 93 HG23 VAL 93 6.995 16.786 15.208
130 H ILE 94 H ILE 94 8.678 13.623 11.516
131 HA ILE 94 HA ILE 94 9.733 15.324 9.359
132 HB ILE 94 HB ILE 94 11.506 13.685 8.788
133 HG12 ILE 94 HG12 ILE 94 10.953 12.470 11.519
134 HG13 ILE 94 HG13 ILE 94 10.608 11.718 9.965
135 HG21 ILE 94 HG21 ILE 94 11.955 14.893 11.539
136 HG22 ILE 94 HG22 ILE 94 13.171 14.534 10.295
137 HG23 ILE 94 HG23 ILE 94 11.971 15.795 10.008
138 HD11 ILE 94 HD11 ILE 94 12.627 10.778 10.908
139 HD12 ILE 94 HD12 ILE 94 12.993 11.664 9.413
140 HD13 ILE 94 HD13 ILE 94 13.386 12.370 11.009
141 H GLU 95 H GLU 95 9.733 14.239 7.328
142 HA GLU 95 HA GLU 95 7.965 11.869 6.997
143 HB2 GLU 95 HB2 GLU 95 7.603 14.631 5.783
144 HB3 GLU 95 HB3 GLU 95 6.990 13.186 4.973
145 HG2 GLU 95 HG2 GLU 95 5.547 12.633 6.788
146 HG3 GLU 95 HG3 GLU 95 6.279 13.846 7.838
147 H THR 96 H THR 96 8.572 10.510 5.443
148 HA THR 96 HA THR 96 10.295 11.323 3.183
149 HB THR 96 HB THR 96 12.026 10.843 4.715
150 HG1 THR 96 HG1 THR 96 12.964 9.062 3.737
151 HG21 THR 96 HG21 THR 96 12.239 8.707 5.956
152 HG22 THR 96 HG22 THR 96 10.865 9.663 6.526
153 HG23 THR 96 HG23 THR 96 10.592 8.260 5.461
154 H LYS 97 H LYS 97 10.442 9.645 1.530
155 HA LYS 97 HA LYS 97 8.047 7.859 1.398
156 HB2 LYS 97 HB2 LYS 97 10.147 8.668 -0.657
157 HB3 LYS 97 HB3 LYS 97 8.828 7.529 -0.967
158 HG2 LYS 97 HG2 LYS 97 7.152 9.248 -0.423
159 HG3 LYS 97 HG3 LYS 97 8.442 10.425 -0.106
160 HD2 LYS 97 HD2 LYS 97 9.229 10.210 -2.447
161 HD3 LYS 97 HD3 LYS 97 7.929 9.041 -2.778
162 HE2 LYS 97 HE2 LYS 97 6.233 10.761 -2.209
163 HE3 LYS 97 HE3 LYS 97 7.514 11.925 -1.845
164 HZ1 LYS 97 HZ1 LYS 97 8.220 11.793 -4.179
165 HZ2 LYS 97 HZ2 LYS 97 7.043 10.704 -4.524
166 HZ3 LYS 97 HZ3 LYS 97 6.650 12.230 -4.099
167 H GLY 98 H GLY 98 11.092 7.547 2.668
168 HA2 GLY 98 HA2 GLY 98 11.575 5.405 3.716
169 HA3 GLY 98 HA3 GLY 98 11.118 4.572 2.236
170 H GLY 99 H GLY 99 12.912 7.287 1.346
171 HA2 GLY 99 HA2 GLY 99 15.280 5.768 0.610
172 HA3 GLY 99 HA3 GLY 99 15.014 7.500 0.393
173 H ASN 100 H ASN 100 17.454 7.011 0.977
174 HA ASN 100 HA ASN 100 18.189 6.754 3.750
175 HB2 ASN 100 HB2 ASN 100 19.672 6.162 1.880
176 HB3 ASN 100 HB3 ASN 100 19.715 7.848 1.357
177 HD21 ASN 100 HD22 ASN 100 22.072 7.734 1.603
178 HD22 ASN 100 HD21 ASN 100 22.772 7.851 3.210
179 H HIS 101 H HIS 101 16.759 8.223 4.796
180 HA HIS 101 HA HIS 101 17.327 11.147 4.535
181 HB2 HIS 101 HB2 HIS 101 14.986 10.220 4.372
182 HB3 HIS 101 HB3 HIS 101 15.089 9.730 6.061
183 HD1 HIS 101 HD1 HIS 101 14.928 11.771 7.850
184 HD2 HIS 101 HD2 HIS 101 14.801 12.832 3.780
185 HE1 HIS 101 HE1 HIS 101 14.450 14.315 7.787
186 HE2 HIS 101 HE2 HIS 101 14.297 14.929 5.280
187 H LYS 102 H LYS 102 19.267 11.389 5.611
188 HA LYS 102 HA LYS 102 20.376 9.988 7.633
189 HB2 LYS 102 HB2 LYS 102 21.488 11.716 6.274
190 HB3 LYS 102 HB3 LYS 102 20.645 12.985 7.143
191 HG2 LYS 102 HG2 LYS 102 22.932 12.836 7.880
192 HG3 LYS 102 HG3 LYS 102 21.863 12.427 9.216
193 HD2 LYS 102 HD2 LYS 102 22.316 10.023 8.891
194 HD3 LYS 102 HD3 LYS 102 23.331 10.370 7.487
195 HE2 LYS 102 HE2 LYS 102 23.859 11.373 10.332
196 HE3 LYS 102 HE3 LYS 102 24.549 9.892 9.659
197 HZ1 LYS 102 HZ1 LYS 102 25.651 11.255 7.939
198 HZ2 LYS 102 HZ2 LYS 102 25.065 12.634 8.606
199 HZ3 LYS 102 HZ3 LYS 102 26.121 11.710 9.430
200 H THR 103 H THR 103 18.236 12.780 8.371
201 HA THR 103 HA THR 103 18.488 12.722 11.174
202 HB THR 103 HB THR 103 15.847 13.213 9.743
203 HG1 THR 103 HG1 THR 103 17.958 15.092 9.988
204 HG21 THR 103 HG21 THR 103 15.707 13.451 12.170
205 HG22 THR 103 HG22 THR 103 17.110 14.536 12.180
206 HG23 THR 103 HG23 THR 103 15.591 15.035 11.394
207 H LEU 104 H LEU 104 16.532 10.548 9.151
208 HA LEU 104 HA LEU 104 15.104 9.329 11.431
209 HB2 LEU 104 HB2 LEU 104 14.171 9.466 9.050
210 HB3 LEU 104 HB3 LEU 104 15.460 8.376 8.538
211 HG LEU 104 HG LEU 104 14.552 6.701 10.275
212 HD11 LEU 104 HD11 LEU 104 13.179 8.272 11.619
213 HD12 LEU 104 HD12 LEU 104 12.156 8.582 10.193
214 HD13 LEU 104 HD13 LEU 104 12.205 6.975 10.921
215 HD21 LEU 104 HD21 LEU 104 12.806 5.891 8.814
216 HD22 LEU 104 HD22 LEU 104 12.665 7.473 8.025
217 HD23 LEU 104 HD23 LEU 104 14.146 6.503 7.833
218 H LYS 105 H LYS 105 17.879 8.535 9.253
219 HA LYS 105 HA LYS 105 18.576 6.052 10.402
220 HB2 LYS 105 HB2 LYS 105 19.521 7.299 8.321
221 HB3 LYS 105 HB3 LYS 105 20.652 8.053 9.487
222 HG2 LYS 105 HG2 LYS 105 21.436 5.807 10.167
223 HG3 LYS 105 HG3 LYS 105 20.278 5.055 9.051
224 HD2 LYS 105 HD2 LYS 105 21.422 6.142 7.128
225 HD3 LYS 105 HD3 LYS 105 22.584 6.889 8.248
226 HE2 LYS 105 HE2 LYS 105 23.306 4.642 9.011
227 HE3 LYS 105 HE3 LYS 105 22.145 3.886 7.910
228 HZ1 LYS 105 HZ1 LYS 105 24.366 3.944 6.929
229 HZ2 LYS 105 HZ2 LYS 105 23.372 4.875 6.037
230 HZ3 LYS 105 HZ3 LYS 105 24.455 5.569 7.054
231 H GLU 106 H GLU 106 19.630 9.316 11.384
232 HA GLU 106 HA GLU 106 21.185 8.526 13.595
233 HB2 GLU 106 HB2 GLU 106 19.601 11.025 12.940
234 HB3 GLU 106 HB3 GLU 106 20.301 10.843 14.551
235 HG2 GLU 106 HG2 GLU 106 22.512 10.499 13.627
236 HG3 GLU 106 HG3 GLU 106 21.876 10.636 11.966
237 H TRP 107 H TRP 107 17.663 9.207 13.488
238 HA TRP 107 HA TRP 107 17.227 8.633 16.248
239 HB2 TRP 107 HB2 TRP 107 15.298 8.390 13.912
240 HB3 TRP 107 HB3 TRP 107 14.852 8.348 15.604
241 HD1 TRP 107 HD1 TRP 107 17.347 10.979 15.474
242 HE1 TRP 107 HE1 TRP 107 16.321 13.305 15.250
243 HE3 TRP 107 HE3 TRP 107 12.581 9.652 14.073
244 HZ2 TRP 107 HZ2 TRP 107 13.838 14.451 14.495
245 HZ3 TRP 107 HZ3 TRP 107 10.884 11.424 13.671
246 HH2 TRP 107 HH2 TRP 107 11.508 13.846 13.863
247 H LYS 108 H LYS 108 17.180 6.429 13.433
248 HA LYS 108 HA LYS 108 16.341 4.052 14.886
249 HB2 LYS 108 HB2 LYS 108 18.003 4.331 12.337
250 HB3 LYS 108 HB3 LYS 108 17.290 2.809 12.944
251 HG2 LYS 108 HG2 LYS 108 15.021 3.719 12.659
252 HG3 LYS 108 HG3 LYS 108 15.654 5.271 12.196
253 HD2 LYS 108 HD2 LYS 108 15.365 4.569 10.084
254 HD3 LYS 108 HD3 LYS 108 16.902 3.731 10.308
255 HE2 LYS 108 HE2 LYS 108 15.630 1.694 11.036
256 HE3 LYS 108 HE3 LYS 108 14.106 2.574 10.788
257 HZ1 LYS 108 HZ1 LYS 108 14.687 2.741 8.401
258 HZ2 LYS 108 HZ2 LYS 108 16.093 1.935 8.637
259 HZ3 LYS 108 HZ3 LYS 108 14.670 1.172 8.855
260 H ALA 109 H ALA 109 19.535 5.467 14.252
261 HA ALA 109 HA ALA 109 21.037 3.363 15.562
262 HB1 ALA 109 HB1 ALA 109 22.002 4.901 13.899
263 HB2 ALA 109 HB2 ALA 109 21.731 6.281 14.984
264 HB3 ALA 109 HB3 ALA 109 22.877 4.998 15.439
265 H LYS 110 H LYS 110 19.695 6.457 16.698
266 HA LYS 110 HA LYS 110 20.903 6.293 19.343
267 HB2 LYS 110 HB2 LYS 110 18.845 8.133 18.085
268 HB3 LYS 110 HB3 LYS 110 19.412 8.335 19.748
269 HG2 LYS 110 HG2 LYS 110 21.678 8.724 19.044
270 HG3 LYS 110 HG3 LYS 110 21.329 8.274 17.375
271 HD2 LYS 110 HD2 LYS 110 19.681 10.197 17.270
272 HD3 LYS 110 HD3 LYS 110 20.247 10.708 18.862
273 HE2 LYS 110 HE2 LYS 110 21.952 10.477 16.318
274 HE3 LYS 110 HE3 LYS 110 21.258 11.966 16.962
275 HZ1 LYS 110 HZ1 LYS 110 22.612 11.666 18.983
276 HZ2 LYS 110 HZ2 LYS 110 23.301 10.312 18.372
277 HZ3 LYS 110 HZ3 LYS 110 23.563 11.751 17.660
278 H TRP 111 H TRP 111 17.660 5.528 18.171
279 HA TRP 111 HA TRP 111 16.887 4.632 20.930
280 HB2 TRP 111 HB2 TRP 111 15.238 6.075 18.825
281 HB3 TRP 111 HB3 TRP 111 14.590 5.395 20.307
282 HD1 TRP 111 HD1 TRP 111 15.775 6.301 22.666
283 HE1 TRP 111 HE1 TRP 111 16.589 8.638 23.323
284 HE3 TRP 111 HE3 TRP 111 16.004 8.401 18.023
285 HZ2 TRP 111 HZ2 TRP 111 17.400 11.071 21.986
286 HZ3 TRP 111 HZ3 TRP 111 16.919 10.715 17.733
287 HH2 TRP 111 HH2 TRP 111 17.597 12.049 19.701
288 H GLY 112 H GLY 112 17.404 3.387 17.861
289 HA2 GLY 112 HA2 GLY 112 17.379 1.044 17.574
290 HA3 GLY 112 HA3 GLY 112 15.948 0.881 18.578
291 HA PRO 113 HA PRO 113 14.994 1.909 13.912
292 HB2 PRO 113 HB2 PRO 113 15.191 -0.567 12.613
293 HB3 PRO 113 HB3 PRO 113 16.416 0.730 12.591
294 HG2 PRO 113 HG2 PRO 113 16.343 -1.719 14.327
295 HG3 PRO 113 HG3 PRO 113 17.740 -0.921 13.500
296 HD2 PRO 113 HD2 PRO 113 17.246 -0.608 16.144
297 HD3 PRO 113 HD3 PRO 113 17.890 0.726 15.130
298 H GLU 114 H GLU 114 14.200 -1.058 15.768
299 HA GLU 114 HA GLU 114 11.607 -1.426 14.635
300 HB2 GLU 114 HB2 GLU 114 12.804 -2.284 17.300
301 HB3 GLU 114 HB3 GLU 114 11.218 -2.807 16.716
302 HG2 GLU 114 HG2 GLU 114 12.289 -3.791 14.691
303 HG3 GLU 114 HG3 GLU 114 13.876 -3.341 15.312
304 H ALA 115 H ALA 115 12.751 0.386 17.455
305 HA ALA 115 HA ALA 115 10.160 1.245 18.422
306 HB1 ALA 115 HB1 ALA 115 12.933 2.482 18.716
307 HB2 ALA 115 HB2 ALA 115 11.501 2.938 19.657
308 HB3 ALA 115 HB3 ALA 115 12.187 1.304 19.816
309 H VAL 116 H VAL 116 12.606 2.833 16.300
310 HA VAL 116 HA VAL 116 11.037 5.147 15.754
311 HB VAL 116 HB VAL 116 13.262 3.850 14.155
312 HG11 VAL 116 HG11 VAL 116 12.022 5.349 12.663
313 HG12 VAL 116 HG12 VAL 116 12.036 6.630 13.895
314 HG13 VAL 116 HG13 VAL 116 13.551 6.110 13.126
315 HG21 VAL 116 HG21 VAL 116 13.236 6.218 16.092
316 HG22 VAL 116 HG22 VAL 116 13.901 4.637 16.477
317 HG23 VAL 116 HG23 VAL 116 14.626 5.602 15.201
318 H GLU 117 H GLU 117 11.125 1.997 13.946
319 HA GLU 117 HA GLU 117 9.222 2.942 11.976
320 HB2 GLU 117 HB2 GLU 117 10.060 0.164 12.902
321 HB3 GLU 117 HB3 GLU 117 8.779 0.403 11.719
322 HG2 GLU 117 HG2 GLU 117 11.649 1.366 11.406
323 HG3 GLU 117 HG3 GLU 117 10.947 -0.054 10.637
324 H SER 118 H SER 118 8.836 1.699 15.268
325 HA SER 118 HA SER 118 5.961 1.371 15.106
326 HB2 SER 118 HB2 SER 118 7.303 0.320 16.813
327 HB3 SER 118 HB3 SER 118 7.613 1.906 17.563
328 HG SER 118 HG SER 118 5.820 0.769 18.511
329 H TRP 119 H TRP 119 8.086 4.191 15.515
330 HA TRP 119 HA TRP 119 5.950 6.055 16.223
331 HB2 TRP 119 HB2 TRP 119 8.579 6.736 14.880
332 HB3 TRP 119 HB3 TRP 119 7.524 7.794 15.767
333 HD1 TRP 119 HD1 TRP 119 7.467 5.377 18.222
334 HE1 TRP 119 HE1 TRP 119 9.390 5.483 19.903
335 HE3 TRP 119 HE3 TRP 119 10.731 8.357 15.569
336 HZ2 TRP 119 HZ2 TRP 119 12.007 6.649 20.074
337 HZ3 TRP 119 HZ3 TRP 119 12.864 9.056 16.606
338 HH2 TRP 119 HH2 TRP 119 13.532 8.205 18.835
339 H ALA 120 H ALA 120 6.760 4.454 13.263
340 HA ALA 120 HA ALA 120 6.282 6.592 11.454
341 HB1 ALA 120 HB1 ALA 120 7.512 4.432 10.949
342 HB2 ALA 120 HB2 ALA 120 5.928 3.644 10.825
343 HB3 ALA 120 HB3 ALA 120 6.351 4.960 9.716
344 H THR 121 H THR 121 4.513 7.249 10.305
345 HA THR 121 HA THR 121 1.981 5.662 10.275
346 HB THR 121 HB THR 121 0.879 8.040 10.150
347 HG1 THR 121 HG1 THR 121 1.864 9.522 11.561
348 HG21 THR 121 HG21 THR 121 1.782 6.922 12.832
349 HG22 THR 121 HG22 THR 121 0.395 8.001 12.541
350 HG23 THR 121 HG23 THR 121 0.379 6.361 11.894
351 H LEU 122 H LEU 122 1.448 5.135 8.381
352 HA LEU 122 HA LEU 122 2.564 6.288 5.956
353 HB2 LEU 122 HB2 LEU 122 0.420 4.247 6.643
354 HB3 LEU 122 HB3 LEU 122 0.753 4.702 4.967
355 HG LEU 122 HG LEU 122 2.930 3.655 6.826
356 HD11 LEU 122 HD11 LEU 122 2.617 1.458 5.737
357 HD12 LEU 122 HD12 LEU 122 1.168 1.943 6.631
358 HD13 LEU 122 HD13 LEU 122 1.200 2.087 4.860
359 HD21 LEU 122 HD21 LEU 122 2.682 3.757 3.777
360 HD22 LEU 122 HD22 LEU 122 3.678 4.858 4.746
361 HD23 LEU 122 HD23 LEU 122 4.072 3.133 4.691
362 H LEU 123 H LEU 123 1.884 8.056 4.938
363 HA LEU 123 HA LEU 123 -0.681 9.335 5.673
364 HB2 LEU 123 HB2 LEU 123 1.473 10.246 3.727
365 HB3 LEU 123 HB3 LEU 123 0.128 11.199 4.337
366 HG LEU 123 HG LEU 123 2.574 10.262 5.889
367 HD11 LEU 123 HD11 LEU 123 1.425 13.018 5.306
368 HD12 LEU 123 HD12 LEU 123 2.928 12.657 6.182
369 HD13 LEU 123 HD13 LEU 123 2.797 12.279 4.459
370 HD21 LEU 123 HD21 LEU 123 0.046 11.618 6.934
371 HD22 LEU 123 HD22 LEU 123 0.698 10.043 7.448
372 HD23 LEU 123 HD23 LEU 123 1.571 11.528 7.830
373 H GLY 124 H GLY 124 -2.100 10.210 3.944
374 HA2 GLY 124 HA2 GLY 124 -2.098 9.274 1.249
375 HA3 GLY 124 HA3 GLY 124 -3.148 8.235 2.209
376 H HIS 125 H HIS 125 -4.464 9.361 0.329
377 HA HIS 125 HA HIS 125 -6.203 11.393 1.566
378 HB2 HIS 125 HB2 HIS 125 -4.559 12.664 0.417
379 HB3 HIS 125 HB3 HIS 125 -4.904 11.847 -1.116
380 HD1 HIS 125 HD1 HIS 125 -8.235 12.251 -0.141
381 HD2 HIS 125 HD2 HIS 125 -5.126 14.966 -1.010
382 HE1 HIS 125 HE1 HIS 125 -9.379 14.498 -0.777
383 HE2 HIS 125 HE2 HIS 125 -7.464 16.147 -1.305
Start of MODEL 18
1 H ALA 79 H1 ALA 79 4.734 0.474 0.599
2 HA ALA 79 HA ALA 79 5.266 0.411 -2.303
3 HB1 ALA 79 HB1 ALA 79 2.864 1.597 -0.807
4 HB2 ALA 79 HB2 ALA 79 3.124 1.618 -2.567
5 HB3 ALA 79 HB3 ALA 79 2.854 0.086 -1.741
6 H ARG 80 H ARG 80 4.910 2.853 -3.123
7 HA ARG 80 HA ARG 80 7.158 4.359 -1.989
8 HB2 ARG 80 HB2 ARG 80 5.370 4.967 -4.345
9 HB3 ARG 80 HB3 ARG 80 6.850 5.821 -3.865
10 HG2 ARG 80 HG2 ARG 80 8.131 3.707 -4.009
11 HG3 ARG 80 HG3 ARG 80 6.711 2.878 -4.653
12 HD2 ARG 80 HD2 ARG 80 8.077 5.291 -5.928
13 HD3 ARG 80 HD3 ARG 80 8.327 3.600 -6.405
14 HE ARG 80 HE ARG 80 5.565 4.017 -6.568
15 HH11 ARG 80 HH12 ARG 80 8.381 5.291 -8.213
16 HH12 ARG 80 HH11 ARG 80 7.498 5.598 -9.682
17 HH21 ARG 80 HH21 ARG 80 4.491 4.453 -8.462
18 HH22 ARG 80 HH22 ARG 80 5.342 5.144 -9.809
19 H LYS 81 H LYS 81 4.024 4.358 -0.967
20 HA LYS 81 HA LYS 81 3.304 7.028 -0.498
21 HB2 LYS 81 HB2 LYS 81 2.844 4.473 1.107
22 HB3 LYS 81 HB3 LYS 81 2.169 6.040 1.597
23 HG2 LYS 81 HG2 LYS 81 1.010 6.257 -0.578
24 HG3 LYS 81 HG3 LYS 81 1.636 4.671 -1.074
25 HD2 LYS 81 HD2 LYS 81 0.411 3.582 0.776
26 HD3 LYS 81 HD3 LYS 81 -0.093 5.155 1.393
27 HE2 LYS 81 HE2 LYS 81 -1.973 4.245 0.260
28 HE3 LYS 81 HE3 LYS 81 -1.366 5.583 -0.721
29 HZ1 LYS 81 HZ1 LYS 81 -0.849 2.690 -1.254
30 HZ2 LYS 81 HZ2 LYS 81 -1.916 3.618 -2.062
31 HZ3 LYS 81 HZ3 LYS 81 -0.323 3.925 -2.198
32 H VAL 82 H VAL 82 3.410 8.380 1.251
33 HA VAL 82 HA VAL 82 6.087 8.692 2.393
34 HB VAL 82 HB VAL 82 3.527 10.291 2.774
35 HG11 VAL 82 HG11 VAL 82 6.363 10.916 3.717
36 HG12 VAL 82 HG12 VAL 82 5.051 12.102 3.642
37 HG13 VAL 82 HG13 VAL 82 4.912 10.737 4.734
38 HG21 VAL 82 HG21 VAL 82 4.608 11.931 1.307
39 HG22 VAL 82 HG22 VAL 82 6.056 10.911 1.181
40 HG23 VAL 82 HG23 VAL 82 4.509 10.375 0.471
41 H LYS 83 H LYS 83 6.792 8.190 4.367
42 HA LYS 83 HA LYS 83 4.878 7.371 6.530
43 HB2 LYS 83 HB2 LYS 83 7.808 6.682 6.029
44 HB3 LYS 83 HB3 LYS 83 7.060 6.567 7.629
45 HG2 LYS 83 HG2 LYS 83 5.371 5.007 6.804
46 HG3 LYS 83 HG3 LYS 83 6.094 5.054 5.177
47 HD2 LYS 83 HD2 LYS 83 8.169 4.090 5.995
48 HD3 LYS 83 HD3 LYS 83 7.641 4.233 7.680
49 HE2 LYS 83 HE2 LYS 83 5.864 2.614 7.360
50 HE3 LYS 83 HE3 LYS 83 6.206 2.508 5.625
51 HZ1 LYS 83 HZ1 LYS 83 8.146 1.690 7.768
52 HZ2 LYS 83 HZ2 LYS 83 7.228 0.661 6.878
53 HZ3 LYS 83 HZ3 LYS 83 8.387 1.554 6.155
54 H GLN 84 H GLN 84 4.482 8.881 7.894
55 HA GLN 84 HA GLN 84 6.309 11.167 8.461
56 HB2 GLN 84 HB2 GLN 84 3.968 11.702 8.184
57 HB3 GLN 84 HB3 GLN 84 3.469 10.366 9.208
58 HG2 GLN 84 HG2 GLN 84 4.497 11.540 11.184
59 HG3 GLN 84 HG3 GLN 84 4.893 12.905 10.121
60 HE21 GLN 84 HE22 GLN 84 2.066 10.805 11.045
61 HE22 GLN 84 HE21 GLN 84 0.925 12.149 11.088
62 H TYR 85 H TYR 85 7.305 11.345 10.461
63 HA TYR 85 HA TYR 85 6.954 9.167 12.484
64 HB2 TYR 85 HB2 TYR 85 9.624 10.267 11.523
65 HB3 TYR 85 HB3 TYR 85 9.401 9.174 12.861
66 HD1 TYR 85 HD1 TYR 85 9.127 9.456 9.136
67 HD2 TYR 85 HD2 TYR 85 9.363 6.836 12.552
68 HE1 TYR 85 HE1 TYR 85 9.624 7.533 7.638
69 HE2 TYR 85 HE2 TYR 85 9.900 4.922 11.062
70 HH TYR 85 HH TYR 85 10.346 4.264 8.908
71 H LYS 86 H LYS 86 7.350 9.847 14.606
72 HA LYS 86 HA LYS 86 8.005 12.716 15.128
73 HB2 LYS 86 HB2 LYS 86 5.557 12.375 15.311
74 HB3 LYS 86 HB3 LYS 86 5.820 11.055 16.469
75 HG2 LYS 86 HG2 LYS 86 6.750 12.584 18.112
76 HG3 LYS 86 HG3 LYS 86 6.718 13.923 16.954
77 HD2 LYS 86 HD2 LYS 86 4.234 13.763 16.856
78 HD3 LYS 86 HD3 LYS 86 4.285 12.431 18.036
79 HE2 LYS 86 HE2 LYS 86 5.374 13.940 19.692
80 HE3 LYS 86 HE3 LYS 86 5.329 15.262 18.516
81 HZ1 LYS 86 HZ1 LYS 86 2.917 13.910 19.639
82 HZ2 LYS 86 HZ2 LYS 86 3.451 15.393 20.058
83 HZ3 LYS 86 HZ3 LYS 86 2.887 15.132 18.550
84 H ASN 87 H ASN 87 9.293 13.041 16.911
85 HA ASN 87 HA ASN 87 10.408 10.571 18.221
86 HB2 ASN 87 HB2 ASN 87 11.892 11.672 16.635
87 HB3 ASN 87 HB3 ASN 87 11.826 13.165 17.570
88 HD21 ASN 87 HD22 ASN 87 14.253 11.828 17.019
89 HD22 ASN 87 HD21 ASN 87 14.839 11.140 18.530
90 HA PRO 88 HA PRO 88 8.356 12.550 21.842
91 HB2 PRO 88 HB2 PRO 88 9.339 9.856 22.821
92 HB3 PRO 88 HB3 PRO 88 7.840 10.734 23.270
93 HG2 PRO 88 HG2 PRO 88 7.745 8.746 21.439
94 HG3 PRO 88 HG3 PRO 88 6.852 10.274 21.134
95 HD2 PRO 88 HD2 PRO 88 9.498 9.376 19.993
96 HD3 PRO 88 HD3 PRO 88 8.132 10.233 19.202
97 H HIS 89 H HIS 89 11.666 11.281 21.504
98 HA HIS 89 HA HIS 89 12.557 12.278 24.110
99 HB2 HIS 89 HB2 HIS 89 14.194 11.270 21.744
100 HB3 HIS 89 HB3 HIS 89 14.765 11.506 23.388
101 HD1 HIS 89 HD1 HIS 89 13.645 9.795 25.292
102 HD2 HIS 89 HD2 HIS 89 12.995 8.969 21.196
103 HE1 HIS 89 HE1 HIS 89 12.794 7.370 25.170
104 HE2 HIS 89 HE2 HIS 89 12.404 6.864 22.675
105 H THR 90 H THR 90 12.253 13.733 20.957
106 HA THR 90 HA THR 90 13.836 16.117 21.879
107 HB THR 90 HB THR 90 14.557 16.438 19.605
108 HG1 THR 90 HG1 THR 90 13.937 15.046 17.994
109 HG21 THR 90 HG21 THR 90 14.881 13.467 20.198
110 HG22 THR 90 HG22 THR 90 15.946 14.490 19.206
111 HG23 THR 90 HG23 THR 90 15.861 14.747 20.958
112 H GLY 91 H GLY 91 10.822 15.048 20.479
113 HA2 GLY 91 HA2 GLY 91 8.832 16.299 20.406
114 HA3 GLY 91 HA3 GLY 91 9.741 17.809 20.458
115 H GLU 92 H GLU 92 11.387 16.047 18.186
116 HA GLU 92 HA GLU 92 10.392 17.613 16.004
117 HB2 GLU 92 HB2 GLU 92 12.492 15.501 16.409
118 HB3 GLU 92 HB3 GLU 92 11.905 15.745 14.761
119 HG2 GLU 92 HG2 GLU 92 12.373 17.956 14.678
120 HG3 GLU 92 HG3 GLU 92 12.754 18.076 16.421
121 H VAL 93 H VAL 93 9.493 17.080 14.070
122 HA VAL 93 HA VAL 93 8.345 14.381 13.602
123 HB VAL 93 HB VAL 93 7.148 17.070 12.882
124 HG11 VAL 93 HG11 VAL 93 5.987 14.258 12.613
125 HG12 VAL 93 HG12 VAL 93 5.126 15.767 12.256
126 HG13 VAL 93 HG13 VAL 93 6.511 15.292 11.266
127 HG21 VAL 93 HG21 VAL 93 6.282 15.136 15.040
128 HG22 VAL 93 HG22 VAL 93 6.965 16.773 15.255
129 HG23 VAL 93 HG23 VAL 93 5.365 16.571 14.517
130 H ILE 94 H ILE 94 8.615 13.636 11.534
131 HA ILE 94 HA ILE 94 9.687 15.349 9.387
132 HB ILE 94 HB ILE 94 11.443 13.687 8.813
133 HG12 ILE 94 HG12 ILE 94 10.858 12.466 11.536
134 HG13 ILE 94 HG13 ILE 94 10.503 11.728 9.975
135 HG21 ILE 94 HG21 ILE 94 13.106 14.507 10.340
136 HG22 ILE 94 HG22 ILE 94 11.926 15.787 10.062
137 HG23 ILE 94 HG23 ILE 94 11.888 14.867 11.581
138 HD11 ILE 94 HD11 ILE 94 13.301 12.339 11.019
139 HD12 ILE 94 HD12 ILE 94 12.511 10.765 10.942
140 HD13 ILE 94 HD13 ILE 94 12.894 11.611 9.436
141 H GLU 95 H GLU 95 9.697 14.256 7.350
142 HA GLU 95 HA GLU 95 7.876 11.929 6.978
143 HB2 GLU 95 HB2 GLU 95 7.664 14.682 5.684
144 HB3 GLU 95 HB3 GLU 95 6.945 13.240 4.973
145 HG2 GLU 95 HG2 GLU 95 5.452 12.932 6.825
146 HG3 GLU 95 HG3 GLU 95 6.273 14.170 7.786
147 H THR 96 H THR 96 8.511 10.553 5.434
148 HA THR 96 HA THR 96 10.275 11.358 3.202
149 HB THR 96 HB THR 96 11.977 10.840 4.754
150 HG1 THR 96 HG1 THR 96 12.895 9.042 3.784
151 HG21 THR 96 HG21 THR 96 12.129 8.705 6.001
152 HG22 THR 96 HG22 THR 96 10.737 9.663 6.530
153 HG23 THR 96 HG23 THR 96 10.494 8.267 5.450
154 H LYS 97 H LYS 97 10.377 9.734 1.509
155 HA LYS 97 HA LYS 97 7.987 7.941 1.366
156 HB2 LYS 97 HB2 LYS 97 10.068 8.777 -0.697
157 HB3 LYS 97 HB3 LYS 97 8.761 7.631 -1.011
158 HG2 LYS 97 HG2 LYS 97 7.078 9.345 -0.402
159 HG3 LYS 97 HG3 LYS 97 8.379 10.529 -0.156
160 HD2 LYS 97 HD2 LYS 97 9.072 10.258 -2.532
161 HD3 LYS 97 HD3 LYS 97 7.752 9.093 -2.776
162 HE2 LYS 97 HE2 LYS 97 6.094 10.845 -2.150
163 HE3 LYS 97 HE3 LYS 97 7.408 12.000 -1.887
164 HZ1 LYS 97 HZ1 LYS 97 6.411 12.261 -4.097
165 HZ2 LYS 97 HZ2 LYS 97 7.968 11.805 -4.257
166 HZ3 LYS 97 HZ3 LYS 97 6.766 10.722 -4.505
167 H GLY 98 H GLY 98 11.034 7.602 2.615
168 HA2 GLY 98 HA2 GLY 98 11.502 5.445 3.633
169 HA3 GLY 98 HA3 GLY 98 11.026 4.631 2.141
170 H GLY 99 H GLY 99 12.862 7.320 1.257
171 HA2 GLY 99 HA2 GLY 99 15.232 5.782 0.543
172 HA3 GLY 99 HA3 GLY 99 14.975 7.511 0.332
173 H ASN 100 H ASN 100 17.414 6.999 0.961
174 HA ASN 100 HA ASN 100 18.062 6.726 3.758
175 HB2 ASN 100 HB2 ASN 100 19.591 6.089 1.924
176 HB3 ASN 100 HB3 ASN 100 19.700 7.776 1.416
177 HD21 ASN 100 HD22 ASN 100 22.055 7.520 1.737
178 HD22 ASN 100 HD21 ASN 100 22.690 7.648 3.371
179 H HIS 101 H HIS 101 16.633 8.232 4.742
180 HA HIS 101 HA HIS 101 17.251 11.141 4.515
181 HB2 HIS 101 HB2 HIS 101 14.908 10.217 4.401
182 HB3 HIS 101 HB3 HIS 101 15.044 9.715 6.078
183 HD1 HIS 101 HD1 HIS 101 14.826 11.720 7.894
184 HD2 HIS 101 HD2 HIS 101 14.740 12.848 3.834
185 HE1 HIS 101 HE1 HIS 101 14.290 14.251 7.860
186 HE2 HIS 101 HE2 HIS 101 14.176 14.908 5.361
187 H LYS 102 H LYS 102 19.228 11.347 5.541
188 HA LYS 102 HA LYS 102 20.386 9.930 7.523
189 HB2 LYS 102 HB2 LYS 102 21.142 12.031 6.080
190 HB3 LYS 102 HB3 LYS 102 20.804 12.938 7.536
191 HG2 LYS 102 HG2 LYS 102 22.878 10.774 7.059
192 HG3 LYS 102 HG3 LYS 102 23.128 12.469 7.455
193 HD2 LYS 102 HD2 LYS 102 22.021 11.893 9.752
194 HD3 LYS 102 HD3 LYS 102 22.256 10.201 9.266
195 HE2 LYS 102 HE2 LYS 102 24.183 10.559 10.458
196 HE3 LYS 102 HE3 LYS 102 24.744 10.914 8.820
197 HZ1 LYS 102 HZ1 LYS 102 24.402 13.316 9.350
198 HZ2 LYS 102 HZ2 LYS 102 23.876 12.920 10.863
199 HZ3 LYS 102 HZ3 LYS 102 25.435 12.635 10.422
200 H THR 103 H THR 103 18.318 12.755 8.355
201 HA THR 103 HA THR 103 18.592 12.657 11.141
202 HB THR 103 HB THR 103 16.027 13.301 9.625
203 HG1 THR 103 HG1 THR 103 16.936 15.422 9.585
204 HG21 THR 103 HG21 THR 103 15.650 14.948 11.421
205 HG22 THR 103 HG22 THR 103 15.690 13.307 12.069
206 HG23 THR 103 HG23 THR 103 17.103 14.368 12.271
207 H LEU 104 H LEU 104 16.545 10.534 9.143
208 HA LEU 104 HA LEU 104 15.146 9.313 11.432
209 HB2 LEU 104 HB2 LEU 104 14.201 9.441 9.047
210 HB3 LEU 104 HB3 LEU 104 15.480 8.338 8.543
211 HG LEU 104 HG LEU 104 14.559 6.690 10.304
212 HD11 LEU 104 HD11 LEU 104 12.213 6.986 10.939
213 HD12 LEU 104 HD12 LEU 104 13.190 8.294 11.611
214 HD13 LEU 104 HD13 LEU 104 12.172 8.574 10.172
215 HD21 LEU 104 HD21 LEU 104 12.694 7.444 8.024
216 HD22 LEU 104 HD22 LEU 104 14.169 6.461 7.857
217 HD23 LEU 104 HD23 LEU 104 12.820 5.873 8.836
218 H LYS 105 H LYS 105 17.921 8.514 9.256
219 HA LYS 105 HA LYS 105 18.613 6.017 10.389
220 HB2 LYS 105 HB2 LYS 105 19.553 7.293 8.317
221 HB3 LYS 105 HB3 LYS 105 20.675 8.039 9.492
222 HG2 LYS 105 HG2 LYS 105 21.469 5.790 10.144
223 HG3 LYS 105 HG3 LYS 105 20.333 5.053 8.989
224 HD2 LYS 105 HD2 LYS 105 21.511 6.181 7.112
225 HD3 LYS 105 HD3 LYS 105 22.571 7.005 8.258
226 HE2 LYS 105 HE2 LYS 105 23.829 5.212 7.359
227 HE3 LYS 105 HE3 LYS 105 23.448 4.778 9.026
228 HZ1 LYS 105 HZ1 LYS 105 22.012 3.752 6.616
229 HZ2 LYS 105 HZ2 LYS 105 23.114 2.915 7.474
230 HZ3 LYS 105 HZ3 LYS 105 21.688 3.301 8.158
231 H GLU 106 H GLU 106 19.728 9.271 11.359
232 HA GLU 106 HA GLU 106 21.215 8.426 13.596
233 HB2 GLU 106 HB2 GLU 106 19.805 11.008 12.888
234 HB3 GLU 106 HB3 GLU 106 20.404 10.790 14.535
235 HG2 GLU 106 HG2 GLU 106 22.636 10.207 13.667
236 HG3 GLU 106 HG3 GLU 106 22.039 10.479 12.009
237 H TRP 107 H TRP 107 17.718 9.200 13.449
238 HA TRP 107 HA TRP 107 17.226 8.665 16.211
239 HB2 TRP 107 HB2 TRP 107 15.336 8.406 13.844
240 HB3 TRP 107 HB3 TRP 107 14.859 8.360 15.534
241 HD1 TRP 107 HD1 TRP 107 17.372 11.009 15.352
242 HE1 TRP 107 HE1 TRP 107 16.327 13.322 15.136
243 HE3 TRP 107 HE3 TRP 107 12.581 9.640 14.077
244 HZ2 TRP 107 HZ2 TRP 107 13.807 14.448 14.448
245 HZ3 TRP 107 HZ3 TRP 107 10.857 11.398 13.707
246 HH2 TRP 107 HH2 TRP 107 11.471 13.822 13.886
247 H LYS 108 H LYS 108 17.212 6.427 13.428
248 HA LYS 108 HA LYS 108 16.340 4.071 14.888
249 HB2 LYS 108 HB2 LYS 108 18.031 4.330 12.353
250 HB3 LYS 108 HB3 LYS 108 17.313 2.810 12.967
251 HG2 LYS 108 HG2 LYS 108 15.049 3.715 12.660
252 HG3 LYS 108 HG3 LYS 108 15.674 5.264 12.203
253 HD2 LYS 108 HD2 LYS 108 15.396 4.556 10.087
254 HD3 LYS 108 HD3 LYS 108 16.938 3.727 10.315
255 HE2 LYS 108 HE2 LYS 108 15.669 1.689 11.055
256 HE3 LYS 108 HE3 LYS 108 14.143 2.558 10.791
257 HZ1 LYS 108 HZ1 LYS 108 14.728 2.715 8.411
258 HZ2 LYS 108 HZ2 LYS 108 16.145 1.931 8.653
259 HZ3 LYS 108 HZ3 LYS 108 14.728 1.151 8.867
260 H ALA 109 H ALA 109 19.549 5.461 14.295
261 HA ALA 109 HA ALA 109 21.009 3.348 15.632
262 HB1 ALA 109 HB1 ALA 109 22.003 4.879 13.958
263 HB2 ALA 109 HB2 ALA 109 21.760 6.251 15.061
264 HB3 ALA 109 HB3 ALA 109 22.881 4.950 15.504
265 H LYS 110 H LYS 110 19.694 6.470 16.733
266 HA LYS 110 HA LYS 110 20.883 6.319 19.390
267 HB2 LYS 110 HB2 LYS 110 18.827 8.154 18.130
268 HB3 LYS 110 HB3 LYS 110 19.410 8.359 19.787
269 HG2 LYS 110 HG2 LYS 110 21.681 8.727 19.053
270 HG3 LYS 110 HG3 LYS 110 21.292 8.288 17.392
271 HD2 LYS 110 HD2 LYS 110 19.656 10.252 17.355
272 HD3 LYS 110 HD3 LYS 110 20.348 10.747 18.918
273 HE2 LYS 110 HE2 LYS 110 22.622 10.786 17.821
274 HE3 LYS 110 HE3 LYS 110 21.857 10.376 16.280
275 HZ1 LYS 110 HZ1 LYS 110 20.478 12.523 16.730
276 HZ2 LYS 110 HZ2 LYS 110 21.666 12.920 17.788
277 HZ3 LYS 110 HZ3 LYS 110 21.997 12.674 16.183
278 H TRP 111 H TRP 111 17.637 5.576 18.195
279 HA TRP 111 HA TRP 111 16.850 4.685 20.950
280 HB2 TRP 111 HB2 TRP 111 15.212 6.119 18.821
281 HB3 TRP 111 HB3 TRP 111 14.564 5.474 20.324
282 HD1 TRP 111 HD1 TRP 111 15.827 6.394 22.644
283 HE1 TRP 111 HE1 TRP 111 16.697 8.728 23.251
284 HE3 TRP 111 HE3 TRP 111 15.952 8.440 17.970
285 HZ2 TRP 111 HZ2 TRP 111 17.534 11.115 21.860
286 HZ3 TRP 111 HZ3 TRP 111 16.884 10.735 17.631
287 HH2 TRP 111 HH2 TRP 111 17.646 12.080 19.561
288 H GLY 112 H GLY 112 17.372 3.422 17.894
289 HA2 GLY 112 HA2 GLY 112 17.352 1.075 17.627
290 HA3 GLY 112 HA3 GLY 112 15.910 0.923 18.617
291 HA PRO 113 HA PRO 113 15.006 1.918 13.939
292 HB2 PRO 113 HB2 PRO 113 15.223 -0.560 12.650
293 HB3 PRO 113 HB3 PRO 113 16.449 0.738 12.646
294 HG2 PRO 113 HG2 PRO 113 16.344 -1.698 14.388
295 HG3 PRO 113 HG3 PRO 113 17.762 -0.916 13.577
296 HD2 PRO 113 HD2 PRO 113 17.243 -0.579 16.211
297 HD3 PRO 113 HD3 PRO 113 17.890 0.747 15.192
298 H GLU 114 H GLU 114 14.192 -1.036 15.805
299 HA GLU 114 HA GLU 114 11.602 -1.413 14.661
300 HB2 GLU 114 HB2 GLU 114 12.794 -2.252 17.332
301 HB3 GLU 114 HB3 GLU 114 11.212 -2.787 16.735
302 HG2 GLU 114 HG2 GLU 114 12.306 -3.770 14.726
303 HG3 GLU 114 HG3 GLU 114 13.884 -3.311 15.363
304 H ALA 115 H ALA 115 12.744 0.422 17.468
305 HA ALA 115 HA ALA 115 10.148 1.283 18.417
306 HB1 ALA 115 HB1 ALA 115 12.168 1.351 19.824
307 HB2 ALA 115 HB2 ALA 115 12.914 2.527 18.722
308 HB3 ALA 115 HB3 ALA 115 11.476 2.981 19.655
309 H VAL 116 H VAL 116 12.604 2.840 16.291
310 HA VAL 116 HA VAL 116 11.040 5.156 15.713
311 HB VAL 116 HB VAL 116 13.287 3.852 14.152
312 HG11 VAL 116 HG11 VAL 116 12.056 5.332 12.629
313 HG12 VAL 116 HG12 VAL 116 12.044 6.625 13.850
314 HG13 VAL 116 HG13 VAL 116 13.570 6.109 13.107
315 HG21 VAL 116 HG21 VAL 116 13.907 4.663 16.465
316 HG22 VAL 116 HG22 VAL 116 14.629 5.636 15.191
317 HG23 VAL 116 HG23 VAL 116 13.223 6.230 16.070
318 H GLU 117 H GLU 117 11.155 1.995 13.906
319 HA GLU 117 HA GLU 117 9.237 2.923 11.941
320 HB2 GLU 117 HB2 GLU 117 10.089 0.152 12.885
321 HB3 GLU 117 HB3 GLU 117 8.804 0.380 11.704
322 HG2 GLU 117 HG2 GLU 117 11.673 1.332 11.374
323 HG3 GLU 117 HG3 GLU 117 10.956 -0.077 10.604
324 H SER 118 H SER 118 8.884 1.702 15.241
325 HA SER 118 HA SER 118 5.981 1.387 15.111
326 HB2 SER 118 HB2 SER 118 7.639 1.897 17.580
327 HB3 SER 118 HB3 SER 118 5.966 1.344 17.461
328 HG SER 118 HG SER 118 8.282 -0.042 16.544
329 H TRP 119 H TRP 119 8.121 4.187 15.427
330 HA TRP 119 HA TRP 119 5.979 6.037 16.188
331 HB2 TRP 119 HB2 TRP 119 8.605 6.739 14.854
332 HB3 TRP 119 HB3 TRP 119 7.533 7.788 15.732
333 HD1 TRP 119 HD1 TRP 119 7.481 5.367 18.190
334 HE1 TRP 119 HE1 TRP 119 9.392 5.487 19.879
335 HE3 TRP 119 HE3 TRP 119 10.740 8.357 15.544
336 HZ2 TRP 119 HZ2 TRP 119 12.000 6.682 20.064
337 HZ3 TRP 119 HZ3 TRP 119 12.869 9.069 16.585
338 HH2 TRP 119 HH2 TRP 119 13.526 8.227 18.820
339 H ALA 120 H ALA 120 6.771 4.444 13.211
340 HA ALA 120 HA ALA 120 6.290 6.582 11.409
341 HB1 ALA 120 HB1 ALA 120 7.501 4.422 10.894
342 HB2 ALA 120 HB2 ALA 120 5.913 3.631 10.806
343 HB3 ALA 120 HB3 ALA 120 6.322 4.937 9.678
344 H THR 121 H THR 121 4.546 7.214 10.222
345 HA THR 121 HA THR 121 1.961 5.731 10.298
346 HB THR 121 HB THR 121 0.901 8.123 10.214
347 HG1 THR 121 HG1 THR 121 3.264 8.655 11.703
348 HG21 THR 121 HG21 THR 121 1.940 7.058 12.862
349 HG22 THR 121 HG22 THR 121 0.607 8.212 12.636
350 HG23 THR 121 HG23 THR 121 0.446 6.556 12.031
351 H LEU 122 H LEU 122 1.423 5.180 8.404
352 HA LEU 122 HA LEU 122 2.551 6.314 5.964
353 HB2 LEU 122 HB2 LEU 122 0.464 4.224 6.692
354 HB3 LEU 122 HB3 LEU 122 0.748 4.665 5.004
355 HG LEU 122 HG LEU 122 2.993 3.710 6.838
356 HD11 LEU 122 HD11 LEU 122 2.716 1.488 5.760
357 HD12 LEU 122 HD12 LEU 122 1.283 1.938 6.691
358 HD13 LEU 122 HD13 LEU 122 1.262 2.076 4.923
359 HD21 LEU 122 HD21 LEU 122 2.684 3.794 3.788
360 HD22 LEU 122 HD22 LEU 122 3.681 4.906 4.737
361 HD23 LEU 122 HD23 LEU 122 4.098 3.185 4.667
362 H LEU 123 H LEU 123 1.829 8.079 4.934
363 HA LEU 123 HA LEU 123 -0.696 9.345 5.761
364 HB2 LEU 123 HB2 LEU 123 1.410 10.279 3.779
365 HB3 LEU 123 HB3 LEU 123 0.086 11.236 4.431
366 HG LEU 123 HG LEU 123 2.544 10.235 5.923
367 HD11 LEU 123 HD11 LEU 123 2.935 12.614 6.266
368 HD12 LEU 123 HD12 LEU 123 2.729 12.294 4.537
369 HD13 LEU 123 HD13 LEU 123 1.407 13.024 5.465
370 HD21 LEU 123 HD21 LEU 123 0.033 11.562 7.049
371 HD22 LEU 123 HD22 LEU 123 0.716 9.979 7.513
372 HD23 LEU 123 HD23 LEU 123 1.580 11.468 7.907
373 H GLY 124 H GLY 124 -1.457 7.072 4.694
374 HA2 GLY 124 HA2 GLY 124 -2.000 7.245 1.800
375 HA3 GLY 124 HA3 GLY 124 -2.384 5.907 2.886
376 H HIS 125 H HIS 125 -3.645 8.489 4.468
377 HA HIS 125 HA HIS 125 -6.168 8.795 2.980
378 HB2 HIS 125 HB2 HIS 125 -6.465 6.778 4.194
379 HB3 HIS 125 HB3 HIS 125 -6.090 7.566 5.735
380 HD1 HIS 125 HD1 HIS 125 -8.131 10.115 4.487
381 HD2 HIS 125 HD2 HIS 125 -8.829 6.071 5.462
382 HE1 HIS 125 HE1 HIS 125 -10.683 9.893 4.908
383 HE2 HIS 125 HE2 HIS 125 -11.090 7.418 5.511
Start of MODEL 19
1 H ALA 79 H1 ALA 79 2.078 0.805 -0.816
2 HA ALA 79 HA ALA 79 3.267 1.083 -3.507
3 HB1 ALA 79 HB1 ALA 79 0.821 1.554 -3.543
4 HB2 ALA 79 HB2 ALA 79 1.031 2.754 -2.249
5 HB3 ALA 79 HB3 ALA 79 1.767 3.018 -3.838
6 H ARG 80 H ARG 80 4.125 3.410 -3.799
7 HA ARG 80 HA ARG 80 6.189 3.878 -1.783
8 HB2 ARG 80 HB2 ARG 80 5.639 5.252 -4.418
9 HB3 ARG 80 HB3 ARG 80 7.053 5.471 -3.359
10 HG2 ARG 80 HG2 ARG 80 7.555 3.056 -3.504
11 HG3 ARG 80 HG3 ARG 80 6.242 2.850 -4.676
12 HD2 ARG 80 HD2 ARG 80 7.337 4.450 -6.209
13 HD3 ARG 80 HD3 ARG 80 8.658 4.673 -5.041
14 HE ARG 80 HE ARG 80 8.437 1.897 -5.571
15 HH11 ARG 80 HH21 ARG 80 9.382 4.757 -7.362
16 HH12 ARG 80 HH22 ARG 80 10.453 3.862 -8.406
17 HH21 ARG 80 HH11 ARG 80 9.803 0.811 -6.953
18 HH22 ARG 80 HH12 ARG 80 10.675 1.681 -8.176
19 H LYS 81 H LYS 81 3.706 4.407 -0.616
20 HA LYS 81 HA LYS 81 3.036 7.247 -0.479
21 HB2 LYS 81 HB2 LYS 81 2.355 4.774 1.172
22 HB3 LYS 81 HB3 LYS 81 1.884 6.399 1.712
23 HG2 LYS 81 HG2 LYS 81 0.640 6.785 -0.367
24 HG3 LYS 81 HG3 LYS 81 1.128 5.194 -0.984
25 HD2 LYS 81 HD2 LYS 81 -0.065 4.089 0.880
26 HD3 LYS 81 HD3 LYS 81 -0.538 5.673 1.530
27 HE2 LYS 81 HE2 LYS 81 -1.746 6.177 -0.587
28 HE3 LYS 81 HE3 LYS 81 -1.281 4.608 -1.239
29 HZ1 LYS 81 HZ1 LYS 81 -2.569 3.550 0.557
30 HZ2 LYS 81 HZ2 LYS 81 -2.999 5.006 1.169
31 HZ3 LYS 81 HZ3 LYS 81 -3.531 4.544 -0.302
32 H VAL 82 H VAL 82 3.279 8.610 1.245
33 HA VAL 82 HA VAL 82 5.978 8.776 2.354
34 HB VAL 82 HB VAL 82 3.468 10.458 2.752
35 HG11 VAL 82 HG11 VAL 82 5.020 12.218 3.649
36 HG12 VAL 82 HG12 VAL 82 4.830 10.843 4.729
37 HG13 VAL 82 HG13 VAL 82 6.307 11.004 3.736
38 HG21 VAL 82 HG21 VAL 82 4.623 12.079 1.301
39 HG22 VAL 82 HG22 VAL 82 6.021 11.002 1.177
40 HG23 VAL 82 HG23 VAL 82 4.464 10.532 0.459
41 H LYS 83 H LYS 83 6.672 8.364 4.365
42 HA LYS 83 HA LYS 83 4.732 7.546 6.509
43 HB2 LYS 83 HB2 LYS 83 7.612 6.707 5.978
44 HB3 LYS 83 HB3 LYS 83 6.869 6.588 7.584
45 HG2 LYS 83 HG2 LYS 83 5.089 5.151 6.725
46 HG3 LYS 83 HG3 LYS 83 5.784 5.225 5.089
47 HD2 LYS 83 HD2 LYS 83 7.785 4.075 5.796
48 HD3 LYS 83 HD3 LYS 83 7.360 4.229 7.510
49 HE2 LYS 83 HE2 LYS 83 5.429 2.767 7.239
50 HE3 LYS 83 HE3 LYS 83 5.710 2.652 5.490
51 HZ1 LYS 83 HZ1 LYS 83 6.607 0.712 6.662
52 HZ2 LYS 83 HZ2 LYS 83 7.827 1.530 5.956
53 HZ3 LYS 83 HZ3 LYS 83 7.595 1.639 7.574
54 H GLN 84 H GLN 84 4.439 9.015 7.957
55 HA GLN 84 HA GLN 84 6.390 11.197 8.504
56 HB2 GLN 84 HB2 GLN 84 3.951 11.681 8.259
57 HB3 GLN 84 HB3 GLN 84 3.608 10.603 9.604
58 HG2 GLN 84 HG2 GLN 84 4.916 12.100 11.113
59 HG3 GLN 84 HG3 GLN 84 5.289 13.154 9.746
60 HE21 GLN 84 HE22 GLN 84 3.491 14.501 8.823
61 HE22 GLN 84 HE21 GLN 84 2.036 14.695 9.788
62 H TYR 85 H TYR 85 7.383 11.356 10.511
63 HA TYR 85 HA TYR 85 7.054 9.147 12.503
64 HB2 TYR 85 HB2 TYR 85 9.690 10.243 11.445
65 HB3 TYR 85 HB3 TYR 85 9.532 9.207 12.835
66 HD1 TYR 85 HD2 TYR 85 9.110 9.313 9.116
67 HD2 TYR 85 HD1 TYR 85 9.511 6.852 12.641
68 HE1 TYR 85 HE2 TYR 85 9.515 7.327 7.688
69 HE2 TYR 85 HE1 TYR 85 9.948 4.873 11.208
70 HH TYR 85 HH TYR 85 10.020 5.056 7.632
71 H LYS 86 H LYS 86 7.373 9.834 14.637
72 HA LYS 86 HA LYS 86 8.049 12.705 15.124
73 HB2 LYS 86 HB2 LYS 86 5.601 12.369 15.263
74 HB3 LYS 86 HB3 LYS 86 5.845 11.078 16.468
75 HG2 LYS 86 HG2 LYS 86 6.771 12.682 18.066
76 HG3 LYS 86 HG3 LYS 86 6.686 13.980 16.863
77 HD2 LYS 86 HD2 LYS 86 4.206 13.732 16.784
78 HD3 LYS 86 HD3 LYS 86 4.309 12.442 18.004
79 HE2 LYS 86 HE2 LYS 86 5.345 14.041 19.604
80 HE3 LYS 86 HE3 LYS 86 5.252 15.323 18.388
81 HZ1 LYS 86 HZ1 LYS 86 2.810 15.099 18.436
82 HZ2 LYS 86 HZ2 LYS 86 2.894 13.914 19.558
83 HZ3 LYS 86 HZ3 LYS 86 3.364 15.430 19.930
84 H ASN 87 H ASN 87 9.394 13.066 16.799
85 HA ASN 87 HA ASN 87 10.441 10.690 18.302
86 HB2 ASN 87 HB2 ASN 87 11.969 11.653 16.647
87 HB3 ASN 87 HB3 ASN 87 11.948 13.192 17.507
88 HD21 ASN 87 HD22 ASN 87 14.364 12.094 17.181
89 HD22 ASN 87 HD21 ASN 87 14.914 11.317 18.661
90 HA PRO 88 HA PRO 88 8.369 13.324 21.442
91 HB2 PRO 88 HB2 PRO 88 8.026 11.347 23.372
92 HB3 PRO 88 HB3 PRO 88 6.913 11.690 22.017
93 HG2 PRO 88 HG2 PRO 88 9.099 9.601 22.153
94 HG3 PRO 88 HG3 PRO 88 7.410 9.406 21.583
95 HD2 PRO 88 HD2 PRO 88 9.430 9.749 19.842
96 HD3 PRO 88 HD3 PRO 88 7.864 10.578 19.557
97 H HIS 89 H HIS 89 11.426 11.690 21.620
98 HA HIS 89 HA HIS 89 12.304 12.660 24.193
99 HB2 HIS 89 HB2 HIS 89 13.992 12.068 21.720
100 HB3 HIS 89 HB3 HIS 89 14.555 12.164 23.387
101 HD1 HIS 89 HD1 HIS 89 13.040 9.740 20.959
102 HD2 HIS 89 HD2 HIS 89 13.578 10.196 25.127
103 HE1 HIS 89 HE1 HIS 89 12.575 7.416 22.031
104 HE2 HIS 89 HE2 HIS 89 12.917 7.715 24.565
105 H THR 90 H THR 90 12.119 14.223 21.032
106 HA THR 90 HA THR 90 13.188 16.771 22.208
107 HB THR 90 HB THR 90 14.036 17.306 19.996
108 HG1 THR 90 HG1 THR 90 13.838 15.923 18.327
109 HG21 THR 90 HG21 THR 90 14.844 14.435 20.633
110 HG22 THR 90 HG22 THR 90 15.792 15.645 19.740
111 HG23 THR 90 HG23 THR 90 15.492 15.871 21.470
112 H GLY 91 H GLY 91 10.513 15.312 20.529
113 HA2 GLY 91 HA2 GLY 91 8.364 16.292 20.262
114 HA3 GLY 91 HA3 GLY 91 9.062 17.909 20.368
115 H GLU 92 H GLU 92 11.111 16.223 18.334
116 HA GLU 92 HA GLU 92 10.350 17.630 15.988
117 HB2 GLU 92 HB2 GLU 92 12.293 15.452 16.714
118 HB3 GLU 92 HB3 GLU 92 11.880 15.594 15.020
119 HG2 GLU 92 HG2 GLU 92 12.569 17.703 14.749
120 HG3 GLU 92 HG3 GLU 92 12.581 18.094 16.491
121 H VAL 93 H VAL 93 9.565 17.062 14.035
122 HA VAL 93 HA VAL 93 8.417 14.372 13.560
123 HB VAL 93 HB VAL 93 7.257 17.044 12.741
124 HG11 VAL 93 HG11 VAL 93 6.661 15.237 11.144
125 HG12 VAL 93 HG12 VAL 93 6.107 14.221 12.501
126 HG13 VAL 93 HG13 VAL 93 5.242 15.717 12.077
127 HG21 VAL 93 HG21 VAL 93 5.401 16.572 14.319
128 HG22 VAL 93 HG22 VAL 93 6.305 15.153 14.903
129 HG23 VAL 93 HG23 VAL 93 6.973 16.798 15.111
130 H ILE 94 H ILE 94 8.768 13.597 11.513
131 HA ILE 94 HA ILE 94 9.858 15.302 9.368
132 HB ILE 94 HB ILE 94 11.579 13.622 8.774
133 HG12 ILE 94 HG12 ILE 94 10.960 12.360 11.466
134 HG13 ILE 94 HG13 ILE 94 10.636 11.654 9.886
135 HG21 ILE 94 HG21 ILE 94 12.058 14.762 11.547
136 HG22 ILE 94 HG22 ILE 94 13.266 14.388 10.301
137 HG23 ILE 94 HG23 ILE 94 12.112 15.691 10.034
138 HD11 ILE 94 HD11 ILE 94 12.600 10.640 10.854
139 HD12 ILE 94 HD12 ILE 94 13.043 11.548 9.399
140 HD13 ILE 94 HD13 ILE 94 13.402 12.202 11.028
141 H GLU 95 H GLU 95 9.823 14.225 7.327
142 HA GLU 95 HA GLU 95 7.972 11.921 6.980
143 HB2 GLU 95 HB2 GLU 95 7.663 14.708 5.818
144 HB3 GLU 95 HB3 GLU 95 6.985 13.289 5.000
145 HG2 GLU 95 HG2 GLU 95 5.595 12.740 6.881
146 HG3 GLU 95 HG3 GLU 95 6.370 13.964 7.888
147 H THR 96 H THR 96 8.527 10.562 5.409
148 HA THR 96 HA THR 96 10.236 11.350 3.134
149 HB THR 96 HB THR 96 11.969 10.832 4.653
150 HG1 THR 96 HG1 THR 96 12.881 9.073 3.645
151 HG21 THR 96 HG21 THR 96 12.150 8.658 5.864
152 HG22 THR 96 HG22 THR 96 10.836 9.669 6.475
153 HG23 THR 96 HG23 THR 96 10.473 8.285 5.412
154 H LYS 97 H LYS 97 10.319 9.670 1.466
155 HA LYS 97 HA LYS 97 7.897 7.914 1.402
156 HB2 LYS 97 HB2 LYS 97 9.940 8.691 -0.724
157 HB3 LYS 97 HB3 LYS 97 8.610 7.548 -0.986
158 HG2 LYS 97 HG2 LYS 97 6.966 9.283 -0.344
159 HG3 LYS 97 HG3 LYS 97 8.270 10.470 -0.178
160 HD2 LYS 97 HD2 LYS 97 7.531 8.984 -2.745
161 HD3 LYS 97 HD3 LYS 97 7.029 10.627 -2.326
162 HE2 LYS 97 HE2 LYS 97 9.435 11.318 -2.219
163 HE3 LYS 97 HE3 LYS 97 9.912 9.693 -2.720
164 HZ1 LYS 97 HZ1 LYS 97 8.239 11.549 -4.342
165 HZ2 LYS 97 HZ2 LYS 97 9.812 11.214 -4.618
166 HZ3 LYS 97 HZ3 LYS 97 8.688 10.048 -4.809
167 H GLY 98 H GLY 98 10.963 7.574 2.598
168 HA2 GLY 98 HA2 GLY 98 11.433 5.415 3.639
169 HA3 GLY 98 HA3 GLY 98 10.964 4.598 2.153
170 H GLY 99 H GLY 99 12.786 7.322 1.304
171 HA2 GLY 99 HA2 GLY 99 15.121 5.773 0.518
172 HA3 GLY 99 HA3 GLY 99 14.873 7.503 0.310
173 H ASN 100 H ASN 100 17.317 6.985 0.871
174 HA ASN 100 HA ASN 100 18.079 6.718 3.634
175 HB2 ASN 100 HB2 ASN 100 19.535 6.118 1.728
176 HB3 ASN 100 HB3 ASN 100 19.602 7.812 1.235
177 HD21 ASN 100 HD22 ASN 100 21.955 7.664 1.448
178 HD22 ASN 100 HD21 ASN 100 22.675 7.744 3.049
179 H HIS 101 H HIS 101 16.689 8.192 4.703
180 HA HIS 101 HA HIS 101 17.283 11.113 4.449
181 HB2 HIS 101 HB2 HIS 101 14.940 10.207 4.285
182 HB3 HIS 101 HB3 HIS 101 15.041 9.711 5.975
183 HD1 HIS 101 HD1 HIS 101 14.934 11.761 7.778
184 HD2 HIS 101 HD2 HIS 101 14.732 12.822 3.705
185 HE1 HIS 101 HE1 HIS 101 14.448 14.304 7.723
186 HE2 HIS 101 HE2 HIS 101 14.257 14.915 5.219
187 H LYS 102 H LYS 102 19.229 11.330 5.535
188 HA LYS 102 HA LYS 102 20.321 9.918 7.562
189 HB2 LYS 102 HB2 LYS 102 21.450 11.644 6.220
190 HB3 LYS 102 HB3 LYS 102 20.622 12.919 7.104
191 HG2 LYS 102 HG2 LYS 102 22.900 12.729 7.844
192 HG3 LYS 102 HG3 LYS 102 21.822 12.311 9.172
193 HD2 LYS 102 HD2 LYS 102 22.258 9.906 8.805
194 HD3 LYS 102 HD3 LYS 102 23.280 10.272 7.407
195 HE2 LYS 102 HE2 LYS 102 23.821 11.223 10.267
196 HE3 LYS 102 HE3 LYS 102 24.491 9.742 9.573
197 HZ1 LYS 102 HZ1 LYS 102 25.038 12.497 8.563
198 HZ2 LYS 102 HZ2 LYS 102 26.083 11.539 9.370
199 HZ3 LYS 102 HZ3 LYS 102 25.603 11.122 7.868
200 H THR 103 H THR 103 18.198 12.724 8.314
201 HA THR 103 HA THR 103 18.440 12.657 11.112
202 HB THR 103 HB THR 103 15.792 13.154 9.696
203 HG1 THR 103 HG1 THR 103 17.901 15.035 9.909
204 HG21 THR 103 HG21 THR 103 17.092 14.487 12.104
205 HG22 THR 103 HG22 THR 103 15.574 14.998 11.336
206 HG23 THR 103 HG23 THR 103 15.675 13.413 12.118
207 H LEU 104 H LEU 104 16.497 10.475 9.078
208 HA LEU 104 HA LEU 104 15.031 9.279 11.335
209 HB2 LEU 104 HB2 LEU 104 14.102 9.371 8.994
210 HB3 LEU 104 HB3 LEU 104 15.442 8.375 8.432
211 HG LEU 104 HG LEU 104 14.660 6.518 9.911
212 HD11 LEU 104 HD11 LEU 104 12.232 8.314 10.369
213 HD12 LEU 104 HD12 LEU 104 12.386 6.609 10.834
214 HD13 LEU 104 HD13 LEU 104 13.408 7.814 11.618
215 HD21 LEU 104 HD21 LEU 104 13.978 6.662 7.529
216 HD22 LEU 104 HD22 LEU 104 12.741 5.896 8.541
217 HD23 LEU 104 HD23 LEU 104 12.532 7.580 8.016
218 H LYS 105 H LYS 105 17.831 8.433 9.218
219 HA LYS 105 HA LYS 105 18.515 5.975 10.426
220 HB2 LYS 105 HB2 LYS 105 19.472 7.194 8.314
221 HB3 LYS 105 HB3 LYS 105 20.608 7.950 9.476
222 HG2 LYS 105 HG2 LYS 105 21.356 5.697 10.184
223 HG3 LYS 105 HG3 LYS 105 20.189 4.951 9.073
224 HD2 LYS 105 HD2 LYS 105 21.353 6.000 7.144
225 HD3 LYS 105 HD3 LYS 105 22.523 6.743 8.257
226 HE2 LYS 105 HE2 LYS 105 23.207 4.476 9.045
227 HE3 LYS 105 HE3 LYS 105 22.037 3.742 7.942
228 HZ1 LYS 105 HZ1 LYS 105 24.271 3.769 6.978
229 HZ2 LYS 105 HZ2 LYS 105 23.290 4.711 6.073
230 HZ3 LYS 105 HZ3 LYS 105 24.375 5.389 7.099
231 H GLU 106 H GLU 106 19.575 9.258 11.332
232 HA GLU 106 HA GLU 106 21.141 8.531 13.553
233 HB2 GLU 106 HB2 GLU 106 19.530 11.000 12.855
234 HB3 GLU 106 HB3 GLU 106 20.236 10.857 14.468
235 HG2 GLU 106 HG2 GLU 106 22.453 10.501 13.533
236 HG3 GLU 106 HG3 GLU 106 21.800 10.619 11.877
237 H TRP 107 H TRP 107 17.609 9.181 13.453
238 HA TRP 107 HA TRP 107 17.187 8.656 16.227
239 HB2 TRP 107 HB2 TRP 107 15.255 8.368 13.901
240 HB3 TRP 107 HB3 TRP 107 14.811 8.333 15.592
241 HD1 TRP 107 HD1 TRP 107 17.291 10.993 15.398
242 HE1 TRP 107 HE1 TRP 107 16.245 13.304 15.157
243 HE3 TRP 107 HE3 TRP 107 12.533 9.602 14.067
244 HZ2 TRP 107 HZ2 TRP 107 13.737 14.420 14.408
245 HZ3 TRP 107 HZ3 TRP 107 10.811 11.351 13.648
246 HH2 TRP 107 HH2 TRP 107 11.412 13.771 13.801
247 H LYS 108 H LYS 108 17.150 6.404 13.449
248 HA LYS 108 HA LYS 108 16.345 4.044 14.947
249 HB2 LYS 108 HB2 LYS 108 18.017 4.279 12.400
250 HB3 LYS 108 HB3 LYS 108 17.320 2.771 13.043
251 HG2 LYS 108 HG2 LYS 108 15.033 3.767 12.805
252 HG3 LYS 108 HG3 LYS 108 15.733 5.204 12.109
253 HD2 LYS 108 HD2 LYS 108 15.441 4.249 10.101
254 HD3 LYS 108 HD3 LYS 108 16.843 3.239 10.487
255 HE2 LYS 108 HE2 LYS 108 15.272 1.594 11.571
256 HE3 LYS 108 HE3 LYS 108 13.907 2.602 11.069
257 HZ1 LYS 108 HZ1 LYS 108 14.230 0.798 9.525
258 HZ2 LYS 108 HZ2 LYS 108 14.577 2.192 8.732
259 HZ3 LYS 108 HZ3 LYS 108 15.794 1.209 9.220
260 H ALA 109 H ALA 109 19.524 5.483 14.291
261 HA ALA 109 HA ALA 109 21.049 3.430 15.640
262 HB1 ALA 109 HB1 ALA 109 21.990 4.949 13.951
263 HB2 ALA 109 HB2 ALA 109 21.710 6.345 15.014
264 HB3 ALA 109 HB3 ALA 109 22.874 5.087 15.486
265 H LYS 110 H LYS 110 19.667 6.525 16.722
266 HA LYS 110 HA LYS 110 20.885 6.429 19.372
267 HB2 LYS 110 HB2 LYS 110 18.831 8.232 18.071
268 HB3 LYS 110 HB3 LYS 110 19.402 8.473 19.730
269 HG2 LYS 110 HG2 LYS 110 21.667 8.839 19.009
270 HG3 LYS 110 HG3 LYS 110 21.309 8.358 17.347
271 HD2 LYS 110 HD2 LYS 110 19.664 10.285 17.223
272 HD3 LYS 110 HD3 LYS 110 20.250 10.830 18.798
273 HE2 LYS 110 HE2 LYS 110 21.925 10.537 16.236
274 HE3 LYS 110 HE3 LYS 110 21.252 12.039 16.869
275 HZ1 LYS 110 HZ1 LYS 110 23.306 10.386 18.271
276 HZ2 LYS 110 HZ2 LYS 110 23.560 11.819 17.536
277 HZ3 LYS 110 HZ3 LYS 110 22.638 11.756 18.876
278 H TRP 111 H TRP 111 17.643 5.605 18.223
279 HA TRP 111 HA TRP 111 16.904 4.768 21.014
280 HB2 TRP 111 HB2 TRP 111 15.217 6.167 18.911
281 HB3 TRP 111 HB3 TRP 111 14.597 5.511 20.420
282 HD1 TRP 111 HD1 TRP 111 15.774 6.491 22.735
283 HE1 TRP 111 HE1 TRP 111 16.580 8.856 23.326
284 HE3 TRP 111 HE3 TRP 111 16.009 8.443 18.036
285 HZ2 TRP 111 HZ2 TRP 111 17.394 11.243 21.914
286 HZ3 TRP 111 HZ3 TRP 111 16.923 10.742 17.669
287 HH2 TRP 111 HH2 TRP 111 17.603 12.144 19.595
288 H GLY 112 H GLY 112 17.397 3.446 17.973
289 HA2 GLY 112 HA2 GLY 112 17.360 1.086 17.786
290 HA3 GLY 112 HA3 GLY 112 15.908 0.976 18.764
291 HA PRO 113 HA PRO 113 15.068 1.849 14.051
292 HB2 PRO 113 HB2 PRO 113 15.359 -0.652 12.813
293 HB3 PRO 113 HB3 PRO 113 16.562 0.669 12.794
294 HG2 PRO 113 HG2 PRO 113 16.483 -1.734 14.582
295 HG3 PRO 113 HG3 PRO 113 17.894 -0.919 13.784
296 HD2 PRO 113 HD2 PRO 113 17.305 -0.569 16.399
297 HD3 PRO 113 HD3 PRO 113 17.954 0.757 15.383
298 H GLU 114 H GLU 114 14.271 -1.112 15.920
299 HA GLU 114 HA GLU 114 11.717 -1.520 14.702
300 HB2 GLU 114 HB2 GLU 114 12.846 -2.350 17.405
301 HB3 GLU 114 HB3 GLU 114 11.286 -2.894 16.773
302 HG2 GLU 114 HG2 GLU 114 12.420 -3.880 14.798
303 HG3 GLU 114 HG3 GLU 114 13.988 -3.402 15.458
304 H ALA 115 H ALA 115 12.747 0.317 17.556
305 HA ALA 115 HA ALA 115 10.124 1.132 18.447
306 HB1 ALA 115 HB1 ALA 115 11.400 2.858 19.707
307 HB2 ALA 115 HB2 ALA 115 12.107 1.231 19.888
308 HB3 ALA 115 HB3 ALA 115 12.865 2.423 18.810
309 H VAL 116 H VAL 116 12.599 2.774 16.404
310 HA VAL 116 HA VAL 116 11.007 5.062 15.804
311 HB VAL 116 HB VAL 116 13.329 3.791 14.330
312 HG11 VAL 116 HG11 VAL 116 13.635 6.037 13.286
313 HG12 VAL 116 HG12 VAL 116 12.141 5.262 12.749
314 HG13 VAL 116 HG13 VAL 116 12.086 6.552 13.970
315 HG21 VAL 116 HG21 VAL 116 14.637 5.535 15.419
316 HG22 VAL 116 HG22 VAL 116 13.200 6.200 16.195
317 HG23 VAL 116 HG23 VAL 116 13.814 4.623 16.671
318 H GLU 117 H GLU 117 11.240 1.912 14.013
319 HA GLU 117 HA GLU 117 9.448 2.797 11.916
320 HB2 GLU 117 HB2 GLU 117 10.349 0.066 12.892
321 HB3 GLU 117 HB3 GLU 117 9.148 0.269 11.603
322 HG2 GLU 117 HG2 GLU 117 10.689 1.568 10.248
323 HG3 GLU 117 HG3 GLU 117 11.901 1.573 11.518
324 H SER 118 H SER 118 8.885 1.649 15.196
325 HA SER 118 HA SER 118 6.014 1.276 14.850
326 HB2 SER 118 HB2 SER 118 7.264 0.174 16.584
327 HB3 SER 118 HB3 SER 118 7.541 1.726 17.406
328 HG SER 118 HG SER 118 5.690 0.552 18.215
329 H TRP 119 H TRP 119 8.114 4.093 15.430
330 HA TRP 119 HA TRP 119 5.979 5.933 16.144
331 HB2 TRP 119 HB2 TRP 119 8.599 6.643 14.795
332 HB3 TRP 119 HB3 TRP 119 7.539 7.702 15.677
333 HD1 TRP 119 HD1 TRP 119 7.530 5.214 18.101
334 HE1 TRP 119 HE1 TRP 119 9.426 5.386 19.805
335 HE3 TRP 119 HE3 TRP 119 10.690 8.377 15.524
336 HZ2 TRP 119 HZ2 TRP 119 12.021 6.583 19.982
337 HZ3 TRP 119 HZ3 TRP 119 12.802 9.117 16.582
338 HH2 TRP 119 HH2 TRP 119 13.501 8.217 18.780
339 H ALA 120 H ALA 120 6.850 4.439 13.150
340 HA ALA 120 HA ALA 120 6.313 6.542 11.348
341 HB1 ALA 120 HB1 ALA 120 5.903 3.586 10.781
342 HB2 ALA 120 HB2 ALA 120 6.265 4.873 9.612
343 HB3 ALA 120 HB3 ALA 120 7.488 4.382 10.795
344 H THR 121 H THR 121 4.540 7.274 10.279
345 HA THR 121 HA THR 121 1.964 5.754 10.260
346 HB THR 121 HB THR 121 0.931 8.173 10.201
347 HG1 THR 121 HG1 THR 121 1.955 9.562 11.689
348 HG21 THR 121 HG21 THR 121 1.766 6.897 12.825
349 HG22 THR 121 HG22 THR 121 0.433 8.058 12.578
350 HG23 THR 121 HG23 THR 121 0.348 6.452 11.840
351 H LEU 122 H LEU 122 1.420 5.266 8.358
352 HA LEU 122 HA LEU 122 2.418 6.463 5.925
353 HB2 LEU 122 HB2 LEU 122 0.121 4.616 6.658
354 HB3 LEU 122 HB3 LEU 122 0.432 5.091 4.984
355 HG LEU 122 HG LEU 122 2.525 3.728 6.731
356 HD11 LEU 122 HD11 LEU 122 0.570 2.239 6.485
357 HD12 LEU 122 HD12 LEU 122 0.595 2.468 4.730
358 HD13 LEU 122 HD13 LEU 122 1.943 1.639 5.535
359 HD21 LEU 122 HD21 LEU 122 3.555 3.174 4.536
360 HD22 LEU 122 HD22 LEU 122 2.247 4.029 3.696
361 HD23 LEU 122 HD23 LEU 122 3.391 4.930 4.708
362 H LEU 123 H LEU 123 1.708 8.181 4.815
363 HA LEU 123 HA LEU 123 -0.769 9.587 5.719
364 HB2 LEU 123 HB2 LEU 123 1.445 10.586 3.884
365 HB3 LEU 123 HB3 LEU 123 0.110 11.519 4.546
366 HG LEU 123 HG LEU 123 2.516 10.416 6.050
367 HD11 LEU 123 HD11 LEU 123 2.917 12.789 6.500
368 HD12 LEU 123 HD12 LEU 123 2.800 12.518 4.759
369 HD13 LEU 123 HD13 LEU 123 1.439 13.238 5.639
370 HD21 LEU 123 HD21 LEU 123 1.541 11.548 8.072
371 HD22 LEU 123 HD22 LEU 123 0.029 11.799 7.178
372 HD23 LEU 123 HD23 LEU 123 0.592 10.154 7.560
373 H GLY 124 H GLY 124 -2.060 10.658 3.944
374 HA2 GLY 124 HA2 GLY 124 -1.976 9.798 1.223
375 HA3 GLY 124 HA3 GLY 124 -3.155 8.817 2.101
376 H HIS 125 H HIS 125 -4.288 10.082 0.188
377 HA HIS 125 HA HIS 125 -5.924 12.201 1.407
378 HB2 HIS 125 HB2 HIS 125 -4.132 13.383 0.397
379 HB3 HIS 125 HB3 HIS 125 -4.462 12.660 -1.186
380 HD1 HIS 125 HD1 HIS 125 -7.797 13.293 -0.358
381 HD2 HIS 125 HD2 HIS 125 -4.441 15.776 -0.962
382 HE1 HIS 125 HE1 HIS 125 -8.724 15.648 -0.941
383 HE2 HIS 125 HE2 HIS 125 -6.660 17.150 -1.314
Start of MODEL 20
1 H ALA 79 H1 ALA 79 0.823 2.332 -2.017
2 HA ALA 79 HA ALA 79 2.836 1.102 -2.541
3 HB1 ALA 79 HB1 ALA 79 2.212 0.393 -4.817
4 HB2 ALA 79 HB2 ALA 79 2.361 2.069 -5.397
5 HB3 ALA 79 HB3 ALA 79 3.788 1.188 -4.803
6 H ARG 80 H ARG 80 4.511 2.136 -1.736
7 HA ARG 80 HA ARG 80 5.993 3.740 -1.088
8 HB2 ARG 80 HB2 ARG 80 5.756 4.545 -3.984
9 HB3 ARG 80 HB3 ARG 80 7.088 4.895 -2.857
10 HG2 ARG 80 HG2 ARG 80 7.413 2.472 -2.477
11 HG3 ARG 80 HG3 ARG 80 6.186 2.113 -3.706
12 HD2 ARG 80 HD2 ARG 80 7.521 3.312 -5.413
13 HD3 ARG 80 HD3 ARG 80 8.769 3.652 -4.190
14 HE ARG 80 HE ARG 80 8.329 0.849 -4.214
15 HH11 ARG 80 HH11 ARG 80 9.679 3.231 -6.405
16 HH12 ARG 80 HH12 ARG 80 10.723 2.067 -7.171
17 HH21 ARG 80 HH21 ARG 80 9.677 -0.584 -5.225
18 HH22 ARG 80 HH22 ARG 80 10.724 -0.045 -6.505
19 H LYS 81 H LYS 81 3.290 4.574 -0.471
20 HA LYS 81 HA LYS 81 3.194 7.514 -0.629
21 HB2 LYS 81 HB2 LYS 81 1.690 5.446 1.036
22 HB3 LYS 81 HB3 LYS 81 1.479 7.192 1.266
23 HG2 LYS 81 HG2 LYS 81 0.918 7.407 -1.171
24 HG3 LYS 81 HG3 LYS 81 0.940 5.636 -1.296
25 HD2 LYS 81 HD2 LYS 81 -0.832 5.528 0.463
26 HD3 LYS 81 HD3 LYS 81 -0.891 7.303 0.485
27 HE2 LYS 81 HE2 LYS 81 -1.469 5.564 -1.962
28 HE3 LYS 81 HE3 LYS 81 -2.702 6.171 -0.858
29 HZ1 LYS 81 HZ1 LYS 81 -2.513 7.626 -2.765
30 HZ2 LYS 81 HZ2 LYS 81 -2.023 8.457 -1.450
31 HZ3 LYS 81 HZ3 LYS 81 -0.925 7.889 -2.526
32 H VAL 82 H VAL 82 3.321 8.896 1.125
33 HA VAL 82 HA VAL 82 5.906 8.854 2.367
34 HB VAL 82 HB VAL 82 3.479 10.623 2.852
35 HG11 VAL 82 HG11 VAL 82 4.882 10.913 4.811
36 HG12 VAL 82 HG12 VAL 82 6.353 11.033 3.807
37 HG13 VAL 82 HG13 VAL 82 5.114 12.302 3.762
38 HG21 VAL 82 HG21 VAL 82 4.453 10.750 0.538
39 HG22 VAL 82 HG22 VAL 82 4.700 12.248 1.439
40 HG23 VAL 82 HG23 VAL 82 6.043 11.104 1.250
41 H LYS 83 H LYS 83 6.623 8.336 4.334
42 HA LYS 83 HA LYS 83 4.724 7.515 6.511
43 HB2 LYS 83 HB2 LYS 83 7.626 6.783 5.936
44 HB3 LYS 83 HB3 LYS 83 6.894 6.609 7.544
45 HG2 LYS 83 HG2 LYS 83 5.161 5.130 6.657
46 HG3 LYS 83 HG3 LYS 83 5.857 5.254 5.028
47 HD2 LYS 83 HD2 LYS 83 7.888 4.152 5.709
48 HD3 LYS 83 HD3 LYS 83 7.461 4.276 7.431
49 HE2 LYS 83 HE2 LYS 83 5.581 2.755 7.155
50 HE3 LYS 83 HE3 LYS 83 5.833 2.687 5.402
51 HZ1 LYS 83 HZ1 LYS 83 6.805 0.743 6.498
52 HZ2 LYS 83 HZ2 LYS 83 7.999 1.618 5.812
53 HZ3 LYS 83 HZ3 LYS 83 7.766 1.672 7.435
54 H GLN 84 H GLN 84 4.387 9.018 7.925
55 HA GLN 84 HA GLN 84 6.313 11.219 8.477
56 HB2 GLN 84 HB2 GLN 84 3.878 11.692 8.224
57 HB3 GLN 84 HB3 GLN 84 3.525 10.595 9.559
58 HG2 GLN 84 HG2 GLN 84 4.820 12.078 11.091
59 HG3 GLN 84 HG3 GLN 84 5.192 13.153 9.741
60 HE21 GLN 84 HE22 GLN 84 3.406 14.490 8.813
61 HE22 GLN 84 HE21 GLN 84 1.936 14.672 9.759
62 H TYR 85 H TYR 85 7.310 11.381 10.486
63 HA TYR 85 HA TYR 85 6.993 9.163 12.467
64 HB2 TYR 85 HB2 TYR 85 9.634 10.272 11.441
65 HB3 TYR 85 HB3 TYR 85 9.463 9.230 12.826
66 HD1 TYR 85 HD1 TYR 85 9.025 9.349 9.100
67 HD2 TYR 85 HD2 TYR 85 9.541 6.891 12.606
68 HE1 TYR 85 HE1 TYR 85 9.443 7.360 7.659
69 HE2 TYR 85 HE2 TYR 85 10.004 4.924 11.178
70 HH TYR 85 HH TYR 85 10.177 4.121 8.993
71 H LYS 86 H LYS 86 7.369 9.825 14.603
72 HA LYS 86 HA LYS 86 8.019 12.685 15.144
73 HB2 LYS 86 HB2 LYS 86 5.566 12.352 15.284
74 HB3 LYS 86 HB3 LYS 86 5.809 11.029 16.443
75 HG2 LYS 86 HG2 LYS 86 6.727 12.560 18.103
76 HG3 LYS 86 HG3 LYS 86 6.711 13.897 16.945
77 HD2 LYS 86 HD2 LYS 86 4.225 13.745 16.814
78 HD3 LYS 86 HD3 LYS 86 4.259 12.407 17.978
79 HE2 LYS 86 HE2 LYS 86 5.306 13.904 19.669
80 HE3 LYS 86 HE3 LYS 86 5.297 15.234 18.503
81 HZ1 LYS 86 HZ1 LYS 86 2.853 13.884 19.561
82 HZ2 LYS 86 HZ2 LYS 86 3.376 15.364 19.999
83 HZ3 LYS 86 HZ3 LYS 86 2.846 15.109 18.477
84 H ASN 87 H ASN 87 9.286 13.008 16.934
85 HA ASN 87 HA ASN 87 10.420 10.541 18.229
86 HB2 ASN 87 HB2 ASN 87 11.875 11.685 16.640
87 HB3 ASN 87 HB3 ASN 87 11.799 13.165 17.591
88 HD21 ASN 87 HD22 ASN 87 14.234 11.888 17.006
89 HD22 ASN 87 HD21 ASN 87 14.858 11.196 18.501
90 HA PRO 88 HA PRO 88 8.363 12.513 21.864
91 HB2 PRO 88 HB2 PRO 88 9.328 9.812 22.828
92 HB3 PRO 88 HB3 PRO 88 7.841 10.698 23.287
93 HG2 PRO 88 HG2 PRO 88 7.732 8.717 21.446
94 HG3 PRO 88 HG3 PRO 88 6.836 10.246 21.161
95 HD2 PRO 88 HD2 PRO 88 9.453 9.343 19.975
96 HD3 PRO 88 HD3 PRO 88 8.096 10.234 19.220
97 H HIS 89 H HIS 89 11.665 11.230 21.512
98 HA HIS 89 HA HIS 89 12.573 12.193 24.121
99 HB2 HIS 89 HB2 HIS 89 14.204 11.222 21.733
100 HB3 HIS 89 HB3 HIS 89 14.781 11.449 23.374
101 HD1 HIS 89 HD1 HIS 89 13.734 9.707 25.264
102 HD2 HIS 89 HD2 HIS 89 12.967 8.935 21.185
103 HE1 HIS 89 HE1 HIS 89 12.905 7.270 25.132
104 HE2 HIS 89 HE2 HIS 89 12.425 6.805 22.650
105 H THR 90 H THR 90 12.273 13.691 20.985
106 HA THR 90 HA THR 90 13.828 16.077 21.946
107 HB THR 90 HB THR 90 14.563 16.435 19.683
108 HG1 THR 90 HG1 THR 90 13.955 15.075 18.045
109 HG21 THR 90 HG21 THR 90 15.883 14.750 21.026
110 HG22 THR 90 HG22 THR 90 14.918 13.463 20.263
111 HG23 THR 90 HG23 THR 90 15.967 14.494 19.274
112 H GLY 91 H GLY 91 10.826 15.001 20.537
113 HA2 GLY 91 HA2 GLY 91 8.828 16.239 20.446
114 HA3 GLY 91 HA3 GLY 91 9.727 17.756 20.507
115 H GLU 92 H GLU 92 11.402 16.015 18.237
116 HA GLU 92 HA GLU 92 10.417 17.574 16.050
117 HB2 GLU 92 HB2 GLU 92 12.495 15.444 16.466
118 HB3 GLU 92 HB3 GLU 92 11.921 15.688 14.821
119 HG2 GLU 92 HG2 GLU 92 12.430 17.886 14.716
120 HG3 GLU 92 HG3 GLU 92 12.767 18.034 16.469
121 H VAL 93 H VAL 93 9.544 17.048 14.108
122 HA VAL 93 HA VAL 93 8.391 14.358 13.627
123 HB VAL 93 HB VAL 93 7.211 17.049 12.882
124 HG11 VAL 93 HG11 VAL 93 6.032 14.244 12.635
125 HG12 VAL 93 HG12 VAL 93 5.186 15.752 12.240
126 HG13 VAL 93 HG13 VAL 93 6.577 15.254 11.276
127 HG21 VAL 93 HG21 VAL 93 6.997 16.771 15.255
128 HG22 VAL 93 HG22 VAL 93 5.412 16.577 14.501
129 HG23 VAL 93 HG23 VAL 93 6.309 15.137 15.046
130 H ILE 94 H ILE 94 8.700 13.612 11.554
131 HA ILE 94 HA ILE 94 9.774 15.343 9.424
132 HB ILE 94 HB ILE 94 11.510 13.689 8.812
133 HG12 ILE 94 HG12 ILE 94 10.916 12.404 11.501
134 HG13 ILE 94 HG13 ILE 94 10.575 11.707 9.918
135 HG21 ILE 94 HG21 ILE 94 11.984 14.817 11.590
136 HG22 ILE 94 HG22 ILE 94 13.192 14.448 10.344
137 HG23 ILE 94 HG23 ILE 94 12.024 15.748 10.076
138 HD11 ILE 94 HD11 ILE 94 12.976 11.627 9.393
139 HD12 ILE 94 HD12 ILE 94 13.349 12.256 11.027
140 HD13 ILE 94 HD13 ILE 94 12.555 10.689 10.837
141 H GLU 95 H GLU 95 9.765 14.256 7.368
142 HA GLU 95 HA GLU 95 7.911 11.956 7.010
143 HB2 GLU 95 HB2 GLU 95 7.630 14.750 5.849
144 HB3 GLU 95 HB3 GLU 95 6.960 13.337 5.023
145 HG2 GLU 95 HG2 GLU 95 5.542 12.786 6.876
146 HG3 GLU 95 HG3 GLU 95 6.313 13.997 7.908
147 H THR 96 H THR 96 8.480 10.586 5.454
148 HA THR 96 HA THR 96 10.218 11.362 3.195
149 HB THR 96 HB THR 96 11.931 10.833 4.739
150 HG1 THR 96 HG1 THR 96 12.845 9.070 3.729
151 HG21 THR 96 HG21 THR 96 12.074 8.655 5.944
152 HG22 THR 96 HG22 THR 96 10.745 9.661 6.532
153 HG23 THR 96 HG23 THR 96 10.404 8.286 5.452
154 H LYS 97 H LYS 97 10.294 9.692 1.518
155 HA LYS 97 HA LYS 97 7.865 7.943 1.439
156 HB2 LYS 97 HB2 LYS 97 9.951 8.667 -0.660
157 HB3 LYS 97 HB3 LYS 97 8.606 7.544 -0.923
158 HG2 LYS 97 HG2 LYS 97 6.973 9.328 -0.403
159 HG3 LYS 97 HG3 LYS 97 8.294 10.465 -0.115
160 HD2 LYS 97 HD2 LYS 97 7.412 10.884 -2.298
161 HD3 LYS 97 HD3 LYS 97 9.031 10.191 -2.485
162 HE2 LYS 97 HE2 LYS 97 8.028 7.969 -2.996
163 HE3 LYS 97 HE3 LYS 97 6.411 8.629 -2.734
164 HZ1 LYS 97 HZ1 LYS 97 8.294 9.526 -4.869
165 HZ2 LYS 97 HZ2 LYS 97 6.979 8.588 -5.106
166 HZ3 LYS 97 HZ3 LYS 97 6.795 10.135 -4.632
167 H GLY 98 H GLY 98 10.954 7.588 2.633
168 HA2 GLY 98 HA2 GLY 98 11.372 5.451 3.735
169 HA3 GLY 98 HA3 GLY 98 10.876 4.602 2.277
170 H GLY 99 H GLY 99 12.783 7.262 1.357
171 HA2 GLY 99 HA2 GLY 99 15.066 5.625 0.602
172 HA3 GLY 99 HA3 GLY 99 14.879 7.360 0.379
173 H ASN 100 H ASN 100 17.312 6.758 0.951
174 HA ASN 100 HA ASN 100 18.038 6.495 3.724
175 HB2 ASN 100 HB2 ASN 100 19.483 5.803 1.844
176 HB3 ASN 100 HB3 ASN 100 19.622 7.482 1.316
177 HD21 ASN 100 HD22 ASN 100 21.975 7.173 1.559
178 HD22 ASN 100 HD21 ASN 100 22.678 7.286 3.164
179 H HIS 101 H HIS 101 16.710 8.037 4.762
180 HA HIS 101 HA HIS 101 17.331 10.933 4.414
181 HB2 HIS 101 HB2 HIS 101 14.995 10.041 4.270
182 HB3 HIS 101 HB3 HIS 101 15.084 9.557 5.961
183 HD1 HIS 101 HD1 HIS 101 14.851 11.586 7.753
184 HD2 HIS 101 HD2 HIS 101 14.786 12.653 3.679
185 HE1 HIS 101 HE1 HIS 101 14.307 14.113 7.683
186 HE2 HIS 101 HE2 HIS 101 14.197 14.730 5.176
187 H LYS 102 H LYS 102 19.277 11.180 5.470
188 HA LYS 102 HA LYS 102 20.451 9.888 7.510
189 HB2 LYS 102 HB2 LYS 102 21.470 11.664 6.132
190 HB3 LYS 102 HB3 LYS 102 20.554 12.893 6.991
191 HG2 LYS 102 HG2 LYS 102 22.824 12.915 7.738
192 HG3 LYS 102 HG3 LYS 102 21.809 12.388 9.072
193 HD2 LYS 102 HD2 LYS 102 22.505 10.037 8.724
194 HD3 LYS 102 HD3 LYS 102 23.425 10.521 7.275
195 HE2 LYS 102 HE2 LYS 102 24.811 12.047 8.712
196 HE3 LYS 102 HE3 LYS 102 23.939 11.481 10.135
197 HZ1 LYS 102 HZ1 LYS 102 24.816 9.231 9.689
198 HZ2 LYS 102 HZ2 LYS 102 25.605 9.760 8.352
199 HZ3 LYS 102 HZ3 LYS 102 26.046 10.290 9.827
200 H THR 103 H THR 103 18.303 12.667 8.264
201 HA THR 103 HA THR 103 18.558 12.611 11.053
202 HB THR 103 HB THR 103 16.007 13.229 9.505
203 HG1 THR 103 HG1 THR 103 16.918 15.345 9.409
204 HG21 THR 103 HG21 THR 103 15.618 14.918 11.254
205 HG22 THR 103 HG22 THR 103 15.656 13.292 11.946
206 HG23 THR 103 HG23 THR 103 17.065 14.355 12.130
207 H LEU 104 H LEU 104 16.522 10.475 9.065
208 HA LEU 104 HA LEU 104 15.083 9.301 11.356
209 HB2 LEU 104 HB2 LEU 104 14.117 9.385 9.037
210 HB3 LEU 104 HB3 LEU 104 15.441 8.369 8.460
211 HG LEU 104 HG LEU 104 14.652 6.532 9.983
212 HD11 LEU 104 HD11 LEU 104 12.383 6.669 10.907
213 HD12 LEU 104 HD12 LEU 104 13.420 7.884 11.661
214 HD13 LEU 104 HD13 LEU 104 12.246 8.359 10.408
215 HD21 LEU 104 HD21 LEU 104 13.979 6.654 7.598
216 HD22 LEU 104 HD22 LEU 104 12.744 5.900 8.624
217 HD23 LEU 104 HD23 LEU 104 12.528 7.573 8.072
218 H LYS 105 H LYS 105 17.860 8.419 9.214
219 HA LYS 105 HA LYS 105 18.498 5.953 10.427
220 HB2 LYS 105 HB2 LYS 105 19.457 7.191 8.305
221 HB3 LYS 105 HB3 LYS 105 20.663 7.822 9.463
222 HG2 LYS 105 HG2 LYS 105 21.243 5.481 10.083
223 HG3 LYS 105 HG3 LYS 105 20.023 4.883 8.946
224 HD2 LYS 105 HD2 LYS 105 21.246 6.029 7.082
225 HD3 LYS 105 HD3 LYS 105 22.527 6.478 8.210
226 HE2 LYS 105 HE2 LYS 105 21.638 3.617 7.565
227 HE3 LYS 105 HE3 LYS 105 22.986 4.440 6.788
228 HZ1 LYS 105 HZ1 LYS 105 22.847 3.780 9.692
229 HZ2 LYS 105 HZ2 LYS 105 23.790 3.054 8.577
230 HZ3 LYS 105 HZ3 LYS 105 24.080 4.600 8.972
231 H GLU 106 H GLU 106 19.648 9.218 11.300
232 HA GLU 106 HA GLU 106 21.178 8.458 13.532
233 HB2 GLU 106 HB2 GLU 106 19.671 10.983 12.794
234 HB3 GLU 106 HB3 GLU 106 20.327 10.819 14.423
235 HG2 GLU 106 HG2 GLU 106 22.552 10.324 13.505
236 HG3 GLU 106 HG3 GLU 106 21.915 10.537 11.857
237 H TRP 107 H TRP 107 17.665 9.176 13.413
238 HA TRP 107 HA TRP 107 17.213 8.702 16.195
239 HB2 TRP 107 HB2 TRP 107 15.286 8.384 13.864
240 HB3 TRP 107 HB3 TRP 107 14.843 8.385 15.556
241 HD1 TRP 107 HD1 TRP 107 17.347 11.024 15.270
242 HE1 TRP 107 HE1 TRP 107 16.299 13.336 15.025
243 HE3 TRP 107 HE3 TRP 107 12.539 9.639 14.102
244 HZ2 TRP 107 HZ2 TRP 107 13.784 14.453 14.343
245 HZ3 TRP 107 HZ3 TRP 107 10.816 11.394 13.708
246 HH2 TRP 107 HH2 TRP 107 11.433 13.817 13.831
247 H LYS 108 H LYS 108 17.177 6.412 13.457
248 HA LYS 108 HA LYS 108 16.356 4.075 14.978
249 HB2 LYS 108 HB2 LYS 108 18.041 4.277 12.430
250 HB3 LYS 108 HB3 LYS 108 17.330 2.774 13.084
251 HG2 LYS 108 HG2 LYS 108 15.056 3.765 12.833
252 HG3 LYS 108 HG3 LYS 108 15.757 5.197 12.131
253 HD2 LYS 108 HD2 LYS 108 15.489 4.229 10.120
254 HD3 LYS 108 HD3 LYS 108 16.882 3.218 10.529
255 HE2 LYS 108 HE2 LYS 108 15.272 1.603 11.622
256 HE3 LYS 108 HE3 LYS 108 13.932 2.610 11.066
257 HZ1 LYS 108 HZ1 LYS 108 14.662 2.147 8.752
258 HZ2 LYS 108 HZ2 LYS 108 15.856 1.165 9.295
259 HZ3 LYS 108 HZ3 LYS 108 14.281 0.770 9.558
260 H ALA 109 H ALA 109 19.544 5.489 14.321
261 HA ALA 109 HA ALA 109 21.039 3.430 15.691
262 HB1 ALA 109 HB1 ALA 109 21.754 6.324 15.058
263 HB2 ALA 109 HB2 ALA 109 22.896 5.040 15.510
264 HB3 ALA 109 HB3 ALA 109 21.998 4.930 13.983
265 H LYS 110 H LYS 110 19.681 6.541 16.745
266 HA LYS 110 HA LYS 110 20.906 6.455 19.394
267 HB2 LYS 110 HB2 LYS 110 18.852 8.277 18.098
268 HB3 LYS 110 HB3 LYS 110 19.450 8.522 19.742
269 HG2 LYS 110 HG2 LYS 110 21.723 8.850 18.975
270 HG3 LYS 110 HG3 LYS 110 21.305 8.371 17.332
271 HD2 LYS 110 HD2 LYS 110 19.679 10.351 17.286
272 HD3 LYS 110 HD3 LYS 110 20.425 10.878 18.811
273 HE2 LYS 110 HE2 LYS 110 22.671 10.827 17.638
274 HE3 LYS 110 HE3 LYS 110 21.833 10.416 16.131
275 HZ1 LYS 110 HZ1 LYS 110 22.047 12.714 16.003
276 HZ2 LYS 110 HZ2 LYS 110 20.535 12.606 16.586
277 HZ3 LYS 110 HZ3 LYS 110 21.758 12.981 17.608
278 H TRP 111 H TRP 111 17.656 5.685 18.238
279 HA TRP 111 HA TRP 111 16.879 4.874 21.018
280 HB2 TRP 111 HB2 TRP 111 15.244 6.306 18.896
281 HB3 TRP 111 HB3 TRP 111 14.603 5.704 20.421
282 HD1 TRP 111 HD1 TRP 111 15.943 6.641 22.701
283 HE1 TRP 111 HE1 TRP 111 16.850 8.973 23.234
284 HE3 TRP 111 HE3 TRP 111 15.960 8.598 17.988
285 HZ2 TRP 111 HZ2 TRP 111 17.670 11.335 21.780
286 HZ3 TRP 111 HZ3 TRP 111 16.908 10.873 17.578
287 HH2 TRP 111 HH2 TRP 111 17.747 12.243 19.462
288 H GLY 112 H GLY 112 17.388 3.510 18.013
289 HA2 GLY 112 HA2 GLY 112 17.330 1.158 17.868
290 HA3 GLY 112 HA3 GLY 112 15.868 1.075 18.831
291 HA PRO 113 HA PRO 113 15.077 1.862 14.086
292 HB2 PRO 113 HB2 PRO 113 15.377 -0.670 12.903
293 HB3 PRO 113 HB3 PRO 113 16.574 0.655 12.852
294 HG2 PRO 113 HG2 PRO 113 16.501 -1.712 14.689
295 HG3 PRO 113 HG3 PRO 113 17.910 -0.897 13.882
296 HD2 PRO 113 HD2 PRO 113 17.301 -0.513 16.495
297 HD3 PRO 113 HD3 PRO 113 17.955 0.795 15.460
298 H GLU 114 H GLU 114 14.272 -1.063 15.996
299 HA GLU 114 HA GLU 114 11.730 -1.495 14.765
300 HB2 GLU 114 HB2 GLU 114 12.839 -2.290 17.485
301 HB3 GLU 114 HB3 GLU 114 11.285 -2.857 16.853
302 HG2 GLU 114 HG2 GLU 114 12.457 -3.854 14.887
303 HG3 GLU 114 HG3 GLU 114 14.009 -3.368 15.574
304 H ALA 115 H ALA 115 12.732 0.379 17.599
305 HA ALA 115 HA ALA 115 10.091 1.196 18.459
306 HB1 ALA 115 HB1 ALA 115 12.078 1.328 19.924
307 HB2 ALA 115 HB2 ALA 115 12.821 2.502 18.831
308 HB3 ALA 115 HB3 ALA 115 11.347 2.939 19.711
309 H VAL 116 H VAL 116 12.599 2.815 16.432
310 HA VAL 116 HA VAL 116 11.023 5.097 15.790
311 HB VAL 116 HB VAL 116 13.357 3.808 14.360
312 HG11 VAL 116 HG11 VAL 116 12.188 5.258 12.750
313 HG12 VAL 116 HG12 VAL 116 12.138 6.575 13.945
314 HG13 VAL 116 HG13 VAL 116 13.691 6.026 13.282
315 HG21 VAL 116 HG21 VAL 116 13.214 6.246 16.189
316 HG22 VAL 116 HG22 VAL 116 13.799 4.672 16.707
317 HG23 VAL 116 HG23 VAL 116 14.656 5.554 15.452
318 H GLU 117 H GLU 117 11.264 1.932 14.021
319 HA GLU 117 HA GLU 117 9.494 2.824 11.900
320 HB2 GLU 117 HB2 GLU 117 10.365 0.084 12.901
321 HB3 GLU 117 HB3 GLU 117 9.188 0.290 11.593
322 HG2 GLU 117 HG2 GLU 117 10.767 1.586 10.269
323 HG3 GLU 117 HG3 GLU 117 11.958 1.548 11.562
324 H SER 118 H SER 118 8.895 1.658 15.177
325 HA SER 118 HA SER 118 6.032 1.280 14.799
326 HB2 SER 118 HB2 SER 118 7.268 0.207 16.565
327 HB3 SER 118 HB3 SER 118 7.523 1.777 17.371
328 HG SER 118 HG SER 118 5.670 0.590 18.163
329 H TRP 119 H TRP 119 8.115 4.107 15.377
330 HA TRP 119 HA TRP 119 5.981 5.950 16.077
331 HB2 TRP 119 HB2 TRP 119 8.620 6.641 14.756
332 HB3 TRP 119 HB3 TRP 119 7.547 7.708 15.606
333 HD1 TRP 119 HD1 TRP 119 7.484 5.252 18.059
334 HE1 TRP 119 HE1 TRP 119 9.356 5.420 19.794
335 HE3 TRP 119 HE3 TRP 119 10.714 8.344 15.499
336 HZ2 TRP 119 HZ2 TRP 119 11.926 6.663 20.035
337 HZ3 TRP 119 HZ3 TRP 119 12.805 9.101 16.588
338 HH2 TRP 119 HH2 TRP 119 13.444 8.263 18.832
339 H ALA 120 H ALA 120 6.862 4.440 13.087
340 HA ALA 120 HA ALA 120 6.303 6.543 11.282
341 HB1 ALA 120 HB1 ALA 120 7.517 4.402 10.732
342 HB2 ALA 120 HB2 ALA 120 5.946 3.579 10.707
343 HB3 ALA 120 HB3 ALA 120 6.286 4.875 9.550
344 H THR 121 H THR 121 4.515 7.275 10.249
345 HA THR 121 HA THR 121 1.960 5.717 10.228
346 HB THR 121 HB THR 121 0.892 8.120 10.237
347 HG1 THR 121 HG1 THR 121 1.942 9.514 11.699
348 HG21 THR 121 HG21 THR 121 1.846 6.853 12.827
349 HG22 THR 121 HG22 THR 121 0.481 7.985 12.633
350 HG23 THR 121 HG23 THR 121 0.407 6.377 11.893
351 H LEU 122 H LEU 122 1.330 5.285 8.334
352 HA LEU 122 HA LEU 122 2.399 6.512 5.923
353 HB2 LEU 122 HB2 LEU 122 0.210 4.508 6.596
354 HB3 LEU 122 HB3 LEU 122 0.505 5.008 4.927
355 HG LEU 122 HG LEU 122 2.691 3.816 6.686
356 HD11 LEU 122 HD11 LEU 122 0.856 2.178 6.468
357 HD12 LEU 122 HD12 LEU 122 0.857 2.397 4.703
358 HD13 LEU 122 HD13 LEU 122 2.263 1.676 5.517
359 HD21 LEU 122 HD21 LEU 122 3.748 3.328 4.489
360 HD22 LEU 122 HD22 LEU 122 2.378 4.069 3.650
361 HD23 LEU 122 HD23 LEU 122 3.452 5.064 4.648
362 H LEU 123 H LEU 123 1.715 8.367 4.997
363 HA LEU 123 HA LEU 123 -0.778 9.667 5.860
364 HB2 LEU 123 HB2 LEU 123 1.288 10.528 3.790
365 HB3 LEU 123 HB3 LEU 123 -0.013 11.513 4.457
366 HG LEU 123 HG LEU 123 2.458 10.502 5.917
367 HD11 LEU 123 HD11 LEU 123 2.914 12.881 6.190
368 HD12 LEU 123 HD12 LEU 123 2.692 12.513 4.468
369 HD13 LEU 123 HD13 LEU 123 1.395 13.303 5.380
370 HD21 LEU 123 HD21 LEU 123 0.013 11.943 7.039
371 HD22 LEU 123 HD22 LEU 123 0.651 10.358 7.542
372 HD23 LEU 123 HD23 LEU 123 1.565 11.822 7.880
373 H GLY 124 H GLY 124 -1.635 7.427 4.944
374 HA2 GLY 124 HA2 GLY 124 -3.115 7.913 2.439
375 HA3 GLY 124 HA3 GLY 124 -1.912 6.614 2.393
376 H HIS 125 H HIS 125 -4.168 7.641 4.987
377 HA HIS 125 HA HIS 125 -5.553 5.021 4.932
378 HB2 HIS 125 HB2 HIS 125 -5.209 4.595 7.233
379 HB3 HIS 125 HB3 HIS 125 -3.628 4.874 6.534
380 HD1 HIS 125 HD1 HIS 125 -2.257 6.985 7.565
381 HD2 HIS 125 HD2 HIS 125 -6.241 6.480 8.895
382 HE1 HIS 125 HE1 HIS 125 -2.581 8.600 9.552
383 HE2 HIS 125 HE2 HIS 125 -5.003 8.284 10.358