Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
631401 | 6bam RC | 30354 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 15.831 33.071 13.999
2 H2 GLY 1 H2 GLY 1 15.808 32.201 15.390
3 H3 GLY 1 H3 GLY 1 15.604 31.429 13.947
4 HA2 GLY 1 HA2 GLY 1 17.842 31.905 13.284
5 HA3 GLY 1 HA3 GLY 1 18.041 32.841 14.782
6 H SER 2 H SER 2 19.770 31.499 15.485
7 HA SER 2 HA SER 2 19.375 28.666 16.043
8 HB2 SER 2 HB2 SER 2 21.413 30.619 17.128
9 HB3 SER 2 HB3 SER 2 21.451 28.861 17.355
10 HG SER 2 HG SER 2 22.699 29.823 15.591
11 H ALA 3 H ALA 3 19.305 27.685 18.209
12 HA ALA 3 HA ALA 3 17.835 29.309 20.235
13 HB1 ALA 3 HB1 ALA 3 16.915 26.644 19.088
14 HB2 ALA 3 HB2 ALA 3 16.082 27.624 20.313
15 HB3 ALA 3 HB3 ALA 3 16.237 28.236 18.662
16 H CYS 4 H CYS 4 20.605 28.053 20.093
17 HA CYS 4 HA CYS 4 20.681 25.991 22.093
18 HB2 CYS 4 HB2 CYS 4 23.130 26.355 21.939
19 HB3 CYS 4 HB3 CYS 4 22.333 26.086 20.393
20 H GLN 5 H GLN 5 21.082 26.080 24.256
21 HA GLN 5 HA GLN 5 20.520 28.625 25.611
22 HB2 GLN 5 HB2 GLN 5 21.018 25.870 26.771
23 HB3 GLN 5 HB3 GLN 5 20.322 27.244 27.625
24 HG2 GLN 5 HG2 GLN 5 18.975 25.815 25.305
25 HG3 GLN 5 HG3 GLN 5 18.681 25.517 27.008
26 HE21 GLN 5 HE21 GLN 5 15.917 27.689 26.291
27 HE22 GLN 5 HE22 GLN 5 16.416 26.008 26.088
28 H PHE 6 H PHE 6 21.720 28.773 27.863
29 HA PHE 6 HA PHE 6 24.254 29.845 27.513
30 HB2 PHE 6 HB2 PHE 6 22.563 30.106 29.373
31 HB3 PHE 6 HB3 PHE 6 23.115 28.596 30.041
32 HD1 PHE 6 HD1 PHE 6 26.149 30.100 28.951
33 HD2 PHE 6 HD2 PHE 6 23.009 30.552 31.885
34 HE1 PHE 6 HE1 PHE 6 27.668 31.398 30.386
35 HE2 PHE 6 HE2 PHE 6 24.541 31.886 33.302
36 HZ PHE 6 HZ PHE 6 26.878 32.314 32.554
37 H TRP 7 H TRP 7 23.551 26.744 29.130
38 HA TRP 7 HA TRP 7 26.108 25.552 28.175
39 HB2 TRP 7 HB2 TRP 7 26.568 24.792 30.520
40 HB3 TRP 7 HB3 TRP 7 26.660 26.525 30.299
41 HD1 TRP 7 HD1 TRP 7 25.389 27.970 31.931
42 HE1 TRP 7 HE1 TRP 7 23.613 27.636 33.777
43 HE3 TRP 7 HE3 TRP 7 24.297 23.008 31.166
44 HZ2 TRP 7 HZ2 TRP 7 21.948 25.529 34.753
45 HZ3 TRP 7 HZ3 TRP 7 22.536 21.897 32.512
46 HH2 TRP 7 HH2 TRP 7 21.369 23.150 34.320
47 H SER 8 H SER 8 22.776 25.007 28.547
48 HA SER 8 HA SER 8 22.754 22.269 29.196
49 HB2 SER 8 HB2 SER 8 20.883 23.754 27.328
50 HB3 SER 8 HB3 SER 8 20.613 22.128 27.971
51 HG SER 8 HG SER 8 19.584 23.546 29.319
52 H CYS 9 H CYS 9 23.673 23.666 26.036
53 HA CYS 9 HA CYS 9 23.754 21.126 24.600
54 HB2 CYS 9 HB2 CYS 9 23.778 23.275 23.411
55 HB3 CYS 9 HB3 CYS 9 25.273 23.736 24.241
56 H ASN 10 H ASN 10 26.161 23.095 26.392
57 HA ASN 10 HA ASN 10 28.402 21.429 26.024
58 HB2 ASN 10 HB2 ASN 10 27.803 23.245 28.404
59 HB3 ASN 10 HB3 ASN 10 29.377 22.720 27.851
60 HD21 ASN 10 HD21 ASN 10 29.611 25.349 25.499
61 HD22 ASN 10 HD22 ASN 10 30.411 23.983 26.291
62 H SER 11 H SER 11 26.010 21.406 28.712
63 HA SER 11 HA SER 11 27.044 19.088 30.046
64 HB2 SER 11 HB2 SER 11 25.456 20.522 31.156
65 HB3 SER 11 HB3 SER 11 24.218 20.198 29.917
66 HG SER 11 HG SER 11 24.253 18.868 32.024
67 H SER 12 H SER 12 24.644 19.301 27.338
68 HA SER 12 HA SER 12 24.070 16.493 27.235
69 HB2 SER 12 HB2 SER 12 22.701 18.145 26.056
70 HB3 SER 12 HB3 SER 12 24.061 18.567 25.005
71 HG SER 12 HG SER 12 22.793 16.023 25.208
72 H CYS 13 H CYS 13 26.576 18.433 25.542
73 HA CYS 13 HA CYS 13 27.825 16.294 24.166
74 HB2 CYS 13 HB2 CYS 13 28.940 18.925 25.213
75 HB3 CYS 13 HB3 CYS 13 29.796 17.844 24.137
76 H ILE 14 H ILE 14 28.699 17.701 27.395
77 HA ILE 14 HA ILE 14 30.786 15.832 27.980
78 HB ILE 14 HB ILE 14 28.960 17.523 29.715
79 HG12 ILE 14 HG12 ILE 14 31.944 17.800 29.110
80 HG13 ILE 14 HG13 ILE 14 30.711 18.572 28.131
81 HG21 ILE 14 HG21 ILE 14 31.356 15.860 30.612
82 HG22 ILE 14 HG22 ILE 14 30.535 17.084 31.601
83 HG23 ILE 14 HG23 ILE 14 29.665 15.639 31.120
84 HD11 ILE 14 HD11 ILE 14 29.873 19.801 30.141
85 HD12 ILE 14 HD12 ILE 14 31.249 19.148 31.063
86 HD13 ILE 14 HD13 ILE 14 31.536 20.202 29.672
87 H SER 15 H SER 15 27.240 15.572 28.387
88 HA SER 15 HA SER 15 27.362 13.030 29.707
89 HB2 SER 15 HB2 SER 15 25.066 14.173 28.065
90 HB3 SER 15 HB3 SER 15 24.974 12.835 29.228
91 HG SER 15 HG SER 15 25.618 15.560 29.743
92 H ARG 16 H ARG 16 27.293 13.826 26.209
93 HA ARG 16 HA ARG 16 27.467 11.008 25.431
94 HB2 ARG 16 HB2 ARG 16 28.320 13.513 23.955
95 HB3 ARG 16 HB3 ARG 16 28.096 11.918 23.237
96 HG2 ARG 16 HG2 ARG 16 26.080 13.974 24.070
97 HG3 ARG 16 HG3 ARG 16 26.334 13.205 22.543
98 HD2 ARG 16 HD2 ARG 16 24.553 11.938 23.037
99 HD3 ARG 16 HD3 ARG 16 25.642 11.025 24.085
100 HE ARG 16 HE ARG 16 24.167 13.450 25.045
101 HH11 ARG 16 HH11 ARG 16 24.895 10.009 25.675
102 HH12 ARG 16 HH12 ARG 16 23.993 10.129 27.180
103 HH21 ARG 16 HH21 ARG 16 22.784 13.232 26.761
104 HH22 ARG 16 HH22 ARG 16 22.911 11.762 27.737
105 H GLY 17 H GLY 17 29.638 12.811 27.190
106 HA2 GLY 17 HA2 GLY 17 31.733 12.172 27.911
107 HA3 GLY 17 HA3 GLY 17 31.849 10.978 26.619
108 H TYR 18 H TYR 18 31.095 14.257 25.620
109 HA TYR 18 HA TYR 18 33.611 14.388 24.113
110 HB2 TYR 18 HB2 TYR 18 31.168 16.157 24.293
111 HB3 TYR 18 HB3 TYR 18 32.566 16.651 23.389
112 HD1 TYR 18 HD1 TYR 18 33.538 14.806 21.695
113 HD2 TYR 18 HD2 TYR 18 29.474 15.063 23.064
114 HE1 TYR 18 HE1 TYR 18 32.813 13.380 19.788
115 HE2 TYR 18 HE2 TYR 18 28.735 13.641 21.156
116 HH TYR 18 HH TYR 18 29.386 12.489 19.295
117 H ARG 19 H ARG 19 34.764 16.468 24.015
118 HA ARG 19 HA ARG 19 35.973 16.996 26.676
119 HB2 ARG 19 HB2 ARG 19 36.586 18.035 23.878
120 HB3 ARG 19 HB3 ARG 19 37.438 18.581 25.321
121 HG2 ARG 19 HG2 ARG 19 38.230 16.326 25.812
122 HG3 ARG 19 HG3 ARG 19 37.349 15.675 24.436
123 HD2 ARG 19 HD2 ARG 19 39.608 17.695 24.326
124 HD3 ARG 19 HD3 ARG 19 39.730 15.976 23.910
125 HE ARG 19 HE ARG 19 37.752 16.838 22.200
126 HH11 ARG 19 HH11 ARG 19 41.011 18.059 22.773
127 HH12 ARG 19 HH12 ARG 19 41.027 18.896 21.244
128 HH21 ARG 19 HH21 ARG 19 37.918 17.734 20.294
129 HH22 ARG 19 HH22 ARG 19 39.414 18.521 19.761
130 H GLN 20 H GLN 20 34.177 18.787 24.234
131 HA GLN 20 HA GLN 20 32.679 20.284 26.154
132 HB2 GLN 20 HB2 GLN 20 35.059 21.601 24.937
133 HB3 GLN 20 HB3 GLN 20 33.569 22.468 24.616
134 HG2 GLN 20 HG2 GLN 20 34.609 21.741 27.372
135 HG3 GLN 20 HG3 GLN 20 34.648 23.322 26.606
136 HE21 GLN 20 HE21 GLN 20 31.815 23.382 28.962
137 HE22 GLN 20 HE22 GLN 20 33.550 23.128 29.073
138 H GLY 21 H GLY 21 31.084 21.607 25.106
139 HA2 GLY 21 HA2 GLY 21 30.405 20.931 22.293
140 HA3 GLY 21 HA3 GLY 21 29.239 21.341 23.501
141 H LYS 22 H LYS 22 29.395 22.637 21.041
142 HA LYS 22 HA LYS 22 30.001 25.462 21.678
143 HB2 LYS 22 HB2 LYS 22 32.074 24.202 20.995
144 HB3 LYS 22 HB3 LYS 22 31.335 23.867 19.439
145 HG2 LYS 22 HG2 LYS 22 31.244 26.331 18.990
146 HG3 LYS 22 HG3 LYS 22 31.989 26.635 20.570
147 HD2 LYS 22 HD2 LYS 22 33.233 24.976 18.330
148 HD3 LYS 22 HD3 LYS 22 33.637 26.666 18.684
149 HE2 LYS 22 HE2 LYS 22 34.434 26.025 20.933
150 HE3 LYS 22 HE3 LYS 22 33.979 24.337 20.632
151 HZ1 LYS 22 HZ1 LYS 22 36.347 24.773 20.263
152 HZ2 LYS 22 HZ2 LYS 22 35.617 24.217 18.886
153 HZ3 LYS 22 HZ3 LYS 22 35.985 25.811 19.051
154 H CYS 23 H CYS 23 28.337 26.626 20.888
155 HA CYS 23 HA CYS 23 26.528 25.540 18.850
156 HB2 CYS 23 HB2 CYS 23 25.781 26.735 20.898
157 HB3 CYS 23 HB3 CYS 23 26.483 28.223 20.263
158 H TRP 24 H TRP 24 27.973 25.362 17.058
159 HA TRP 24 HA TRP 24 28.254 27.852 15.498
160 HB2 TRP 24 HB2 TRP 24 30.526 27.761 15.177
161 HB3 TRP 24 HB3 TRP 24 30.402 27.388 16.879
162 HD1 TRP 24 HD1 TRP 24 30.516 24.602 17.398
163 HE1 TRP 24 HE1 TRP 24 32.164 22.895 16.447
164 HE3 TRP 24 HE3 TRP 24 31.745 27.032 13.060
165 HZ2 TRP 24 HZ2 TRP 24 33.818 22.618 14.081
166 HZ3 TRP 24 HZ3 TRP 24 33.321 25.986 11.441
167 HH2 TRP 24 HH2 TRP 24 34.381 23.802 11.956
168 H GLY 25 H GLY 25 28.735 27.519 13.249
169 HA2 GLY 25 HA2 GLY 25 29.336 25.406 11.750
170 HA3 GLY 25 HA3 GLY 25 27.684 24.971 12.168
171 H ILE 26 H ILE 26 26.855 25.104 10.141
172 HA ILE 26 HA ILE 26 26.256 27.759 9.045
173 HB ILE 26 HB ILE 26 28.298 27.014 7.884
174 HG12 ILE 26 HG12 ILE 26 25.912 27.052 6.003
175 HG13 ILE 26 HG13 ILE 26 26.542 28.473 6.847
176 HG21 ILE 26 HG21 ILE 26 27.870 24.538 7.928
177 HG22 ILE 26 HG22 ILE 26 26.618 24.771 6.693
178 HG23 ILE 26 HG23 ILE 26 28.311 25.144 6.328
179 HD11 ILE 26 HD11 ILE 26 28.753 28.144 5.733
180 HD12 ILE 26 HD12 ILE 26 28.032 26.821 4.786
181 HD13 ILE 26 HD13 ILE 26 27.416 28.464 4.606
182 H GLN 27 H GLN 27 24.291 27.826 7.870
183 HA GLN 27 HA GLN 27 22.152 27.475 7.452
184 HB2 GLN 27 HB2 GLN 27 23.059 26.185 5.672
185 HB3 GLN 27 HB3 GLN 27 23.173 24.731 6.667
186 HG2 GLN 27 HG2 GLN 27 20.759 24.533 6.826
187 HG3 GLN 27 HG3 GLN 27 20.529 26.102 6.038
188 HE21 GLN 27 HE21 GLN 27 20.136 23.196 3.593
189 HE22 GLN 27 HE22 GLN 27 19.511 23.402 5.233
190 H TYR 28 H TYR 28 23.088 24.614 9.367
191 HA TYR 28 HA TYR 28 20.357 24.141 10.211
192 HB2 TYR 28 HB2 TYR 28 22.946 22.816 11.058
193 HB3 TYR 28 HB3 TYR 28 21.324 22.191 11.318
194 HD1 TYR 28 HD1 TYR 28 19.816 21.930 9.133
195 HD2 TYR 28 HD2 TYR 28 24.127 22.146 9.098
196 HE1 TYR 28 HE1 TYR 28 19.851 20.944 6.854
197 HE2 TYR 28 HE2 TYR 28 24.152 21.183 6.804
198 HH TYR 28 HH TYR 28 21.145 20.226 5.101
199 H LYS 29 H LYS 29 19.873 23.626 12.554
200 HA LYS 29 HA LYS 29 20.393 26.127 14.106
201 HB2 LYS 29 HB2 LYS 29 18.088 25.460 13.444
202 HB3 LYS 29 HB3 LYS 29 18.229 23.991 14.409
203 HG2 LYS 29 HG2 LYS 29 18.452 25.291 16.462
204 HG3 LYS 29 HG3 LYS 29 18.513 26.802 15.543
205 HD2 LYS 29 HD2 LYS 29 16.099 24.941 15.647
206 HD3 LYS 29 HD3 LYS 29 16.321 26.379 16.649
207 HE2 LYS 29 HE2 LYS 29 16.488 27.767 14.552
208 HE3 LYS 29 HE3 LYS 29 16.097 26.329 13.610
209 HZ1 LYS 29 HZ1 LYS 29 13.987 26.198 14.829
210 HZ2 LYS 29 HZ2 LYS 29 14.330 27.549 15.674
211 HZ3 LYS 29 HZ3 LYS 29 14.112 27.641 14.044
212 H TYR 30 H TYR 30 20.390 22.599 14.531
213 HA TYR 30 HA TYR 30 20.814 22.512 17.268
214 HB2 TYR 30 HB2 TYR 30 19.908 20.746 15.884
215 HB3 TYR 30 HB3 TYR 30 21.456 20.510 15.098
216 HD1 TYR 30 HD1 TYR 30 23.001 18.947 15.951
217 HD2 TYR 30 HD2 TYR 30 19.759 20.333 18.451
218 HE1 TYR 30 HE1 TYR 30 23.598 17.261 17.662
219 HE2 TYR 30 HE2 TYR 30 20.359 18.615 20.159
220 HH TYR 30 HH TYR 30 23.275 17.147 20.258
221 H CYS 31 H CYS 31 22.387 22.595 18.654
222 HA CYS 31 HA CYS 31 25.061 23.445 18.081
223 HB2 CYS 31 HB2 CYS 31 23.710 24.101 20.009
224 HB3 CYS 31 HB3 CYS 31 23.712 22.443 20.596
225 H GLN 32 H GLN 32 27.120 22.367 18.675
226 HA GLN 32 HA GLN 32 27.072 19.400 18.509
227 HB2 GLN 32 HB2 GLN 32 28.559 19.385 16.611
228 HB3 GLN 32 HB3 GLN 32 27.031 20.171 16.228
229 HG2 GLN 32 HG2 GLN 32 28.139 22.403 16.418
230 HG3 GLN 32 HG3 GLN 32 29.670 21.598 16.775
231 HE21 GLN 32 HE21 GLN 32 29.896 22.197 13.155
232 HE22 GLN 32 HE22 GLN 32 29.988 23.150 14.642
233 H CYS 33 H CYS 33 29.434 18.471 18.623
234 HA CYS 33 HA CYS 33 30.917 20.031 20.690
235 HB2 CYS 33 HB2 CYS 33 30.799 17.096 20.981
236 HB3 CYS 33 HB3 CYS 33 30.786 18.357 22.223
237 H GLN 34 H GLN 34 32.945 18.778 21.431
238 HA GLN 34 HA GLN 34 34.445 17.571 19.164
239 HB2 GLN 34 HB2 GLN 34 36.244 19.133 19.241
240 HB3 GLN 34 HB3 GLN 34 34.762 19.950 18.811
241 HG2 GLN 34 HG2 GLN 34 35.748 19.925 21.693
242 HG3 GLN 34 HG3 GLN 34 36.450 20.994 20.497
243 HE21 GLN 34 HE21 GLN 34 33.924 22.971 22.296
244 HE22 GLN 34 HE22 GLN 34 35.502 22.227 22.581
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 13.646 21.804 20.623
2 H2 GLY 1 H2 GLY 1 12.812 22.567 21.818
3 H3 GLY 1 H3 GLY 1 14.438 22.347 21.952
4 HA2 GLY 1 HA2 GLY 1 13.143 24.015 19.904
5 HA3 GLY 1 HA3 GLY 1 13.946 24.635 21.364
6 H SER 2 H SER 2 14.512 24.747 18.302
7 HA SER 2 HA SER 2 17.040 23.349 17.968
8 HB2 SER 2 HB2 SER 2 15.729 25.512 16.284
9 HB3 SER 2 HB3 SER 2 17.113 24.487 15.810
10 HG SER 2 HG SER 2 15.088 23.738 15.043
11 H ALA 3 H ALA 3 16.348 26.357 19.530
12 HA ALA 3 HA ALA 3 18.716 27.793 18.721
13 HB1 ALA 3 HB1 ALA 3 16.928 28.114 21.161
14 HB2 ALA 3 HB2 ALA 3 18.132 29.285 20.585
15 HB3 ALA 3 HB3 ALA 3 16.716 28.913 19.586
16 H CYS 4 H CYS 4 20.738 27.879 19.584
17 HA CYS 4 HA CYS 4 21.738 25.652 21.074
18 HB2 CYS 4 HB2 CYS 4 22.921 28.330 20.290
19 HB3 CYS 4 HB3 CYS 4 23.823 27.109 21.182
20 H GLN 5 H GLN 5 21.537 25.244 23.142
21 HA GLN 5 HA GLN 5 20.735 27.156 25.139
22 HB2 GLN 5 HB2 GLN 5 21.909 24.366 25.334
23 HB3 GLN 5 HB3 GLN 5 21.247 25.263 26.700
24 HG2 GLN 5 HG2 GLN 5 19.022 25.212 25.830
25 HG3 GLN 5 HG3 GLN 5 19.562 24.676 24.240
26 HE21 GLN 5 HE21 GLN 5 20.268 21.273 25.379
27 HE22 GLN 5 HE22 GLN 5 20.946 22.516 24.346
28 H PHE 6 H PHE 6 21.892 28.280 26.641
29 HA PHE 6 HA PHE 6 24.451 29.214 26.018
30 HB2 PHE 6 HB2 PHE 6 22.999 29.203 28.696
31 HB3 PHE 6 HB3 PHE 6 24.352 30.270 28.265
32 HD1 PHE 6 HD1 PHE 6 20.744 29.812 28.085
33 HD2 PHE 6 HD2 PHE 6 24.076 31.909 26.350
34 HE1 PHE 6 HE1 PHE 6 19.202 31.499 27.131
35 HE2 PHE 6 HE2 PHE 6 22.524 33.577 25.397
36 HZ PHE 6 HZ PHE 6 20.074 33.390 25.792
37 H TRP 7 H TRP 7 23.630 26.963 28.683
38 HA TRP 7 HA TRP 7 26.337 25.768 28.505
39 HB2 TRP 7 HB2 TRP 7 26.582 25.855 30.968
40 HB3 TRP 7 HB3 TRP 7 26.750 27.363 30.108
41 HD1 TRP 7 HD1 TRP 7 25.472 29.355 30.993
42 HE1 TRP 7 HE1 TRP 7 23.622 29.767 32.714
43 HE3 TRP 7 HE3 TRP 7 24.199 24.478 32.047
44 HZ2 TRP 7 HZ2 TRP 7 21.646 28.220 34.120
45 HZ3 TRP 7 HZ3 TRP 7 22.252 24.003 33.497
46 HH2 TRP 7 HH2 TRP 7 20.950 25.853 34.504
47 H SER 8 H SER 8 22.953 25.284 28.965
48 HA SER 8 HA SER 8 23.179 22.567 29.968
49 HB2 SER 8 HB2 SER 8 21.096 23.781 30.085
50 HB3 SER 8 HB3 SER 8 20.998 23.898 28.326
51 HG SER 8 HG SER 8 19.818 22.141 29.570
52 H CYS 9 H CYS 9 23.780 23.916 26.745
53 HA CYS 9 HA CYS 9 23.819 21.386 25.353
54 HB2 CYS 9 HB2 CYS 9 23.680 23.316 23.998
55 HB3 CYS 9 HB3 CYS 9 25.081 24.077 24.758
56 H ASN 10 H ASN 10 26.498 23.292 26.936
57 HA ASN 10 HA ASN 10 28.552 21.420 26.514
58 HB2 ASN 10 HB2 ASN 10 28.035 23.204 28.924
59 HB3 ASN 10 HB3 ASN 10 29.518 22.298 28.701
60 HD21 ASN 10 HD21 ASN 10 29.830 25.855 27.489
61 HD22 ASN 10 HD22 ASN 10 29.212 25.133 28.976
62 H SER 11 H SER 11 26.255 21.438 29.312
63 HA SER 11 HA SER 11 27.254 19.138 30.616
64 HB2 SER 11 HB2 SER 11 24.355 20.057 30.469
65 HB3 SER 11 HB3 SER 11 25.073 18.996 31.695
66 HG SER 11 HG SER 11 24.962 21.087 32.479
67 H SER 12 H SER 12 24.785 19.363 28.001
68 HA SER 12 HA SER 12 24.291 16.527 27.893
69 HB2 SER 12 HB2 SER 12 22.741 18.206 27.017
70 HB3 SER 12 HB3 SER 12 23.890 18.629 25.731
71 HG SER 12 HG SER 12 23.512 16.787 24.741
72 H CYS 13 H CYS 13 26.556 18.626 26.014
73 HA CYS 13 HA CYS 13 27.595 16.600 24.347
74 HB2 CYS 13 HB2 CYS 13 29.009 19.037 25.543
75 HB3 CYS 13 HB3 CYS 13 29.641 18.068 24.257
76 H ILE 14 H ILE 14 28.681 17.534 27.668
77 HA ILE 14 HA ILE 14 30.808 15.659 27.887
78 HB ILE 14 HB ILE 14 28.970 16.922 29.938
79 HG12 ILE 14 HG12 ILE 14 31.920 17.472 29.411
80 HG13 ILE 14 HG13 ILE 14 30.672 18.293 28.499
81 HG21 ILE 14 HG21 ILE 14 30.596 16.225 31.679
82 HG22 ILE 14 HG22 ILE 14 29.825 14.837 30.945
83 HG23 ILE 14 HG23 ILE 14 31.484 15.272 30.476
84 HD11 ILE 14 HD11 ILE 14 31.380 19.697 30.345
85 HD12 ILE 14 HD12 ILE 14 29.685 19.217 30.562
86 HD13 ILE 14 HD13 ILE 14 30.965 18.438 31.518
87 H SER 15 H SER 15 27.318 15.228 28.558
88 HA SER 15 HA SER 15 27.556 12.489 29.383
89 HB2 SER 15 HB2 SER 15 25.581 13.689 30.005
90 HB3 SER 15 HB3 SER 15 25.249 14.169 28.331
91 HG SER 15 HG SER 15 23.908 12.494 29.005
92 H ARG 16 H ARG 16 27.060 13.908 26.122
93 HA ARG 16 HA ARG 16 26.963 11.300 24.801
94 HB2 ARG 16 HB2 ARG 16 27.663 14.075 23.743
95 HB3 ARG 16 HB3 ARG 16 27.365 12.654 22.749
96 HG2 ARG 16 HG2 ARG 16 25.337 14.151 24.440
97 HG3 ARG 16 HG3 ARG 16 25.457 14.064 22.700
98 HD2 ARG 16 HD2 ARG 16 23.744 12.564 23.096
99 HD3 ARG 16 HD3 ARG 16 25.146 11.476 23.033
100 HE ARG 16 HE ARG 16 24.326 12.581 25.671
101 HH11 ARG 16 HH11 ARG 16 23.878 9.818 23.535
102 HH12 ARG 16 HH12 ARG 16 23.356 8.804 24.845
103 HH21 ARG 16 HH21 ARG 16 24.070 11.106 27.317
104 HH22 ARG 16 HH22 ARG 16 23.475 9.502 26.947
105 H GLY 17 H GLY 17 29.544 12.673 26.432
106 HA2 GLY 17 HA2 GLY 17 31.607 11.611 26.687
107 HA3 GLY 17 HA3 GLY 17 31.423 10.799 25.130
108 H TYR 18 H TYR 18 30.903 14.275 25.248
109 HA TYR 18 HA TYR 18 33.469 14.758 23.791
110 HB2 TYR 18 HB2 TYR 18 30.970 16.433 24.060
111 HB3 TYR 18 HB3 TYR 18 32.357 16.891 23.119
112 HD1 TYR 18 HD1 TYR 18 33.123 15.017 21.286
113 HD2 TYR 18 HD2 TYR 18 29.172 15.461 22.952
114 HE1 TYR 18 HE1 TYR 18 32.160 13.792 19.342
115 HE2 TYR 18 HE2 TYR 18 28.215 14.220 21.009
116 HH TYR 18 HH TYR 18 30.032 13.365 18.187
117 H ARG 19 H ARG 19 34.270 17.116 24.238
118 HA ARG 19 HA ARG 19 34.732 17.362 27.189
119 HB2 ARG 19 HB2 ARG 19 36.139 18.592 24.792
120 HB3 ARG 19 HB3 ARG 19 36.457 19.079 26.469
121 HG2 ARG 19 HG2 ARG 19 37.009 16.715 27.038
122 HG3 ARG 19 HG3 ARG 19 36.777 16.259 25.346
123 HD2 ARG 19 HD2 ARG 19 38.611 17.774 24.672
124 HD3 ARG 19 HD3 ARG 19 38.823 18.274 26.362
125 HE ARG 19 HE ARG 19 39.151 15.416 25.474
126 HH11 ARG 19 HH11 ARG 19 40.756 18.136 27.038
127 HH12 ARG 19 HH12 ARG 19 41.834 17.048 27.899
128 HH21 ARG 19 HH21 ARG 19 40.679 14.256 26.281
129 HH22 ARG 19 HH22 ARG 19 42.007 14.993 27.175
130 H GLN 20 H GLN 20 33.850 19.627 24.553
131 HA GLN 20 HA GLN 20 31.755 20.807 26.278
132 HB2 GLN 20 HB2 GLN 20 33.989 22.362 24.939
133 HB3 GLN 20 HB3 GLN 20 32.520 23.107 25.531
134 HG2 GLN 20 HG2 GLN 20 34.451 21.652 27.371
135 HG3 GLN 20 HG3 GLN 20 34.560 23.350 26.967
136 HE21 GLN 20 HE21 GLN 20 31.792 22.229 29.714
137 HE22 GLN 20 HE22 GLN 20 32.664 20.996 28.805
138 H GLY 21 H GLY 21 30.403 22.282 25.051
139 HA2 GLY 21 HA2 GLY 21 29.974 21.550 22.216
140 HA3 GLY 21 HA3 GLY 21 28.804 22.291 23.241
141 H LYS 22 H LYS 22 29.887 23.067 20.599
142 HA LYS 22 HA LYS 22 31.068 25.782 21.109
143 HB2 LYS 22 HB2 LYS 22 31.978 23.588 19.217
144 HB3 LYS 22 HB3 LYS 22 32.512 25.267 19.090
145 HG2 LYS 22 HG2 LYS 22 33.702 25.199 21.138
146 HG3 LYS 22 HG3 LYS 22 32.917 23.714 21.675
147 HD2 LYS 22 HD2 LYS 22 35.261 23.343 20.948
148 HD3 LYS 22 HD3 LYS 22 34.068 22.376 20.069
149 HE2 LYS 22 HE2 LYS 22 34.106 24.051 18.221
150 HE3 LYS 22 HE3 LYS 22 35.403 24.928 19.055
151 HZ1 LYS 22 HZ1 LYS 22 36.814 22.971 18.786
152 HZ2 LYS 22 HZ2 LYS 22 35.572 22.086 18.212
153 HZ3 LYS 22 HZ3 LYS 22 36.152 23.338 17.315
154 H CYS 23 H CYS 23 28.727 26.386 20.839
155 HA CYS 23 HA CYS 23 27.853 26.354 17.998
156 HB2 CYS 23 HB2 CYS 23 26.219 25.687 19.637
157 HB3 CYS 23 HB3 CYS 23 26.361 27.241 20.469
158 H TRP 24 H TRP 24 27.905 28.022 16.722
159 HA TRP 24 HA TRP 24 28.299 30.810 17.606
160 HB2 TRP 24 HB2 TRP 24 30.457 31.041 16.390
161 HB3 TRP 24 HB3 TRP 24 30.570 30.012 17.801
162 HD1 TRP 24 HD1 TRP 24 31.261 27.554 17.498
163 HE1 TRP 24 HE1 TRP 24 31.921 26.041 15.558
164 HE3 TRP 24 HE3 TRP 24 30.202 30.723 13.602
165 HZ2 TRP 24 HZ2 TRP 24 32.072 26.198 12.679
166 HZ3 TRP 24 HZ3 TRP 24 30.574 29.981 11.264
167 HH2 TRP 24 HH2 TRP 24 31.496 27.733 10.788
168 H GLY 25 H GLY 25 27.750 28.438 15.094
169 HA2 GLY 25 HA2 GLY 25 27.349 30.380 12.931
170 HA3 GLY 25 HA3 GLY 25 27.234 28.618 12.865
171 H ILE 26 H ILE 26 25.365 31.326 12.572
172 HA ILE 26 HA ILE 26 23.075 30.464 14.235
173 HB ILE 26 HB ILE 26 23.398 33.025 12.645
174 HG12 ILE 26 HG12 ILE 26 23.890 32.479 15.617
175 HG13 ILE 26 HG13 ILE 26 25.137 32.809 14.418
176 HG21 ILE 26 HG21 ILE 26 21.487 32.325 14.929
177 HG22 ILE 26 HG22 ILE 26 21.530 33.840 14.001
178 HG23 ILE 26 HG23 ILE 26 21.012 32.363 13.218
179 HD11 ILE 26 HD11 ILE 26 23.050 34.786 15.368
180 HD12 ILE 26 HD12 ILE 26 24.792 34.805 15.664
181 HD13 ILE 26 HD13 ILE 26 24.182 35.063 14.017
182 H GLN 27 H GLN 27 23.096 28.527 12.815
183 HA GLN 27 HA GLN 27 21.707 28.845 10.202
184 HB2 GLN 27 HB2 GLN 27 23.045 26.482 11.560
185 HB3 GLN 27 HB3 GLN 27 22.265 26.393 9.974
186 HG2 GLN 27 HG2 GLN 27 23.906 27.772 8.945
187 HG3 GLN 27 HG3 GLN 27 24.446 28.440 10.470
188 HE21 GLN 27 HE21 GLN 27 27.198 26.299 10.330
189 HE22 GLN 27 HE22 GLN 27 26.597 27.964 10.279
190 H TYR 28 H TYR 28 20.823 28.494 13.375
191 HA TYR 28 HA TYR 28 19.091 27.774 14.572
192 HB2 TYR 28 HB2 TYR 28 17.440 27.448 12.080
193 HB3 TYR 28 HB3 TYR 28 16.881 27.701 13.719
194 HD1 TYR 28 HD1 TYR 28 17.017 29.964 14.778
195 HD2 TYR 28 HD2 TYR 28 18.140 29.290 10.668
196 HE1 TYR 28 HE1 TYR 28 16.863 32.406 14.335
197 HE2 TYR 28 HE2 TYR 28 17.976 31.736 10.224
198 HH TYR 28 HH TYR 28 17.068 34.080 12.775
199 H LYS 29 H LYS 29 21.072 25.989 13.782
200 HA LYS 29 HA LYS 29 19.702 23.322 13.641
201 HB2 LYS 29 HB2 LYS 29 21.139 23.907 11.701
202 HB3 LYS 29 HB3 LYS 29 22.520 24.092 12.783
203 HG2 LYS 29 HG2 LYS 29 22.341 21.706 13.437
204 HG3 LYS 29 HG3 LYS 29 20.926 21.514 12.400
205 HD2 LYS 29 HD2 LYS 29 23.762 22.204 11.508
206 HD3 LYS 29 HD3 LYS 29 23.008 20.626 11.387
207 HE2 LYS 29 HE2 LYS 29 22.192 23.146 9.867
208 HE3 LYS 29 HE3 LYS 29 23.033 21.740 9.220
209 HZ1 LYS 29 HZ1 LYS 29 20.822 21.402 8.647
210 HZ2 LYS 29 HZ2 LYS 29 20.985 20.452 9.974
211 HZ3 LYS 29 HZ3 LYS 29 20.225 21.918 10.086
212 H TYR 30 H TYR 30 20.310 21.730 15.101
213 HA TYR 30 HA TYR 30 20.697 22.556 17.720
214 HB2 TYR 30 HB2 TYR 30 19.525 20.570 17.103
215 HB3 TYR 30 HB3 TYR 30 20.962 19.856 16.385
216 HD1 TYR 30 HD1 TYR 30 22.554 18.660 17.690
217 HD2 TYR 30 HD2 TYR 30 19.322 20.798 19.603
218 HE1 TYR 30 HE1 TYR 30 23.020 17.474 19.816
219 HE2 TYR 30 HE2 TYR 30 19.811 19.599 21.740
220 HH TYR 30 HH TYR 30 22.122 16.935 21.892
221 H CYS 31 H CYS 31 22.248 22.227 19.299
222 HA CYS 31 HA CYS 31 24.705 23.417 18.632
223 HB2 CYS 31 HB2 CYS 31 23.381 23.786 20.657
224 HB3 CYS 31 HB3 CYS 31 23.738 22.161 21.201
225 H GLN 32 H GLN 32 26.518 22.641 17.896
226 HA GLN 32 HA GLN 32 27.209 19.809 17.894
227 HB2 GLN 32 HB2 GLN 32 28.919 20.431 16.383
228 HB3 GLN 32 HB3 GLN 32 27.499 21.398 16.002
229 HG2 GLN 32 HG2 GLN 32 28.700 23.194 17.536
230 HG3 GLN 32 HG3 GLN 32 30.146 22.259 17.177
231 HE21 GLN 32 HE21 GLN 32 29.554 25.012 14.612
232 HE22 GLN 32 HE22 GLN 32 29.813 24.951 16.369
233 H CYS 33 H CYS 33 29.260 18.899 18.626
234 HA CYS 33 HA CYS 33 30.624 20.473 20.750
235 HB2 CYS 33 HB2 CYS 33 30.297 17.561 21.179
236 HB3 CYS 33 HB3 CYS 33 30.418 18.891 22.355
237 H GLN 34 H GLN 34 32.678 19.813 21.436
238 HA GLN 34 HA GLN 34 34.838 19.895 20.798
239 HB2 GLN 34 HB2 GLN 34 33.958 17.671 21.821
240 HB3 GLN 34 HB3 GLN 34 34.402 16.953 20.270
241 HG2 GLN 34 HG2 GLN 34 36.658 17.953 20.569
242 HG3 GLN 34 HG3 GLN 34 36.194 18.571 22.143
243 HE21 GLN 34 HE21 GLN 34 37.931 15.146 22.450
244 HE22 GLN 34 HE22 GLN 34 38.334 16.525 21.454
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 15.260 30.014 20.738
2 H2 GLY 1 H2 GLY 1 13.934 29.109 20.346
3 H3 GLY 1 H3 GLY 1 14.016 30.676 19.880
4 HA2 GLY 1 HA2 GLY 1 15.748 28.511 18.911
5 HA3 GLY 1 HA3 GLY 1 14.415 29.264 18.017
6 H SER 2 H SER 2 16.928 29.149 16.975
7 HA SER 2 HA SER 2 18.577 30.240 15.975
8 HB2 SER 2 HB2 SER 2 18.161 32.285 14.964
9 HB3 SER 2 HB3 SER 2 16.590 31.496 15.158
10 HG SER 2 HG SER 2 16.378 32.784 17.112
11 H ALA 3 H ALA 3 18.859 30.163 18.988
12 HA ALA 3 HA ALA 3 21.261 31.871 19.086
13 HB1 ALA 3 HB1 ALA 3 20.606 32.918 21.192
14 HB2 ALA 3 HB2 ALA 3 19.390 33.273 19.960
15 HB3 ALA 3 HB3 ALA 3 19.069 32.036 21.193
16 H CYS 4 H CYS 4 22.799 31.332 20.652
17 HA CYS 4 HA CYS 4 23.306 28.603 21.083
18 HB2 CYS 4 HB2 CYS 4 25.057 30.263 21.011
19 HB3 CYS 4 HB3 CYS 4 24.332 31.168 22.328
20 H GLN 5 H GLN 5 23.014 27.141 22.731
21 HA GLN 5 HA GLN 5 21.536 27.914 25.184
22 HB2 GLN 5 HB2 GLN 5 22.619 25.225 24.216
23 HB3 GLN 5 HB3 GLN 5 21.815 25.519 25.756
24 HG2 GLN 5 HG2 GLN 5 19.844 26.443 24.470
25 HG3 GLN 5 HG3 GLN 5 20.595 25.823 22.999
26 HE21 GLN 5 HE21 GLN 5 18.087 23.402 24.430
27 HE22 GLN 5 HE22 GLN 5 18.083 25.065 23.823
28 H PHE 6 H PHE 6 22.716 28.940 26.623
29 HA PHE 6 HA PHE 6 25.385 29.436 26.743
30 HB2 PHE 6 HB2 PHE 6 23.390 29.122 29.013
31 HB3 PHE 6 HB3 PHE 6 24.961 29.922 29.180
32 HD1 PHE 6 HD1 PHE 6 21.570 30.242 27.674
33 HD2 PHE 6 HD2 PHE 6 25.399 32.135 28.274
34 HE1 PHE 6 HE1 PHE 6 20.648 32.380 26.838
35 HE2 PHE 6 HE2 PHE 6 24.447 34.287 27.473
36 HZ PHE 6 HZ PHE 6 22.084 34.404 26.708
37 H TRP 7 H TRP 7 23.835 26.743 28.526
38 HA TRP 7 HA TRP 7 26.431 25.312 28.531
39 HB2 TRP 7 HB2 TRP 7 26.228 24.824 30.980
40 HB3 TRP 7 HB3 TRP 7 26.687 26.460 30.557
41 HD1 TRP 7 HD1 TRP 7 25.339 28.375 31.550
42 HE1 TRP 7 HE1 TRP 7 23.289 28.592 33.075
43 HE3 TRP 7 HE3 TRP 7 23.704 23.510 31.443
44 HZ2 TRP 7 HZ2 TRP 7 21.170 26.932 34.036
45 HZ3 TRP 7 HZ3 TRP 7 21.657 22.869 32.679
46 HH2 TRP 7 HH2 TRP 7 20.403 24.552 34.004
47 H SER 8 H SER 8 22.961 25.161 28.455
48 HA SER 8 HA SER 8 22.704 22.351 29.033
49 HB2 SER 8 HB2 SER 8 20.753 23.671 28.961
50 HB3 SER 8 HB3 SER 8 21.060 24.211 27.307
51 HG SER 8 HG SER 8 20.230 22.467 26.558
52 H CYS 9 H CYS 9 23.803 23.987 26.074
53 HA CYS 9 HA CYS 9 23.966 21.668 24.378
54 HB2 CYS 9 HB2 CYS 9 24.175 23.843 23.402
55 HB3 CYS 9 HB3 CYS 9 25.464 24.295 24.513
56 H ASN 10 H ASN 10 26.420 23.128 26.615
57 HA ASN 10 HA ASN 10 28.346 21.056 26.370
58 HB2 ASN 10 HB2 ASN 10 27.731 22.861 28.743
59 HB3 ASN 10 HB3 ASN 10 29.136 21.810 28.619
60 HD21 ASN 10 HD21 ASN 10 30.168 25.217 27.639
61 HD22 ASN 10 HD22 ASN 10 29.462 24.473 29.095
62 H SER 11 H SER 11 25.598 21.297 28.737
63 HA SER 11 HA SER 11 26.178 18.949 30.173
64 HB2 SER 11 HB2 SER 11 23.461 20.148 29.523
65 HB3 SER 11 HB3 SER 11 23.782 18.913 30.754
66 HG SER 11 HG SER 11 23.773 20.860 31.733
67 H SER 12 H SER 12 24.178 19.215 27.170
68 HA SER 12 HA SER 12 23.655 16.381 26.990
69 HB2 SER 12 HB2 SER 12 22.343 18.019 25.753
70 HB3 SER 12 HB3 SER 12 23.760 18.492 24.803
71 HG SER 12 HG SER 12 23.693 16.669 23.700
72 H CYS 13 H CYS 13 26.231 18.428 25.512
73 HA CYS 13 HA CYS 13 27.578 16.390 24.100
74 HB2 CYS 13 HB2 CYS 13 28.565 18.955 25.396
75 HB3 CYS 13 HB3 CYS 13 29.538 17.976 24.308
76 H ILE 14 H ILE 14 28.148 17.449 27.516
77 HA ILE 14 HA ILE 14 30.371 15.797 28.072
78 HB ILE 14 HB ILE 14 28.155 16.941 29.781
79 HG12 ILE 14 HG12 ILE 14 31.125 17.628 29.697
80 HG13 ILE 14 HG13 ILE 14 29.986 18.369 28.606
81 HG21 ILE 14 HG21 ILE 14 30.607 15.435 30.788
82 HG22 ILE 14 HG22 ILE 14 29.520 16.402 31.795
83 HG23 ILE 14 HG23 ILE 14 28.913 14.957 31.016
84 HD11 ILE 14 HD11 ILE 14 30.277 19.882 30.419
85 HD12 ILE 14 HD12 ILE 14 28.654 19.200 30.570
86 HD13 ILE 14 HD13 ILE 14 29.963 18.632 31.624
87 H SER 15 H SER 15 26.891 14.952 28.107
88 HA SER 15 HA SER 15 27.332 12.332 29.172
89 HB2 SER 15 HB2 SER 15 25.082 11.866 28.684
90 HB3 SER 15 HB3 SER 15 25.074 13.615 28.952
91 HG SER 15 HG SER 15 25.041 13.912 26.701
92 H ARG 16 H ARG 16 27.664 13.525 25.876
93 HA ARG 16 HA ARG 16 28.002 10.823 24.746
94 HB2 ARG 16 HB2 ARG 16 28.508 13.572 23.573
95 HB3 ARG 16 HB3 ARG 16 28.471 12.057 22.669
96 HG2 ARG 16 HG2 ARG 16 26.142 13.503 24.006
97 HG3 ARG 16 HG3 ARG 16 26.464 13.309 22.301
98 HD2 ARG 16 HD2 ARG 16 24.830 11.720 22.603
99 HD3 ARG 16 HD3 ARG 16 26.281 10.723 22.788
100 HE ARG 16 HE ARG 16 24.897 11.955 25.153
101 HH11 ARG 16 HH11 ARG 16 25.876 8.867 23.619
102 HH12 ARG 16 HH12 ARG 16 25.426 8.030 25.094
103 HH21 ARG 16 HH21 ARG 16 24.254 10.675 26.781
104 HH22 ARG 16 HH22 ARG 16 24.606 8.939 26.739
105 H GLY 17 H GLY 17 29.966 12.602 26.728
106 HA2 GLY 17 HA2 GLY 17 32.094 11.849 27.420
107 HA3 GLY 17 HA3 GLY 17 32.398 11.146 25.836
108 H TYR 18 H TYR 18 31.194 14.367 25.570
109 HA TYR 18 HA TYR 18 33.854 15.313 24.674
110 HB2 TYR 18 HB2 TYR 18 31.130 16.617 24.641
111 HB3 TYR 18 HB3 TYR 18 32.569 17.291 23.910
112 HD1 TYR 18 HD1 TYR 18 33.786 15.830 22.099
113 HD2 TYR 18 HD2 TYR 18 29.679 15.378 23.278
114 HE1 TYR 18 HE1 TYR 18 33.265 14.811 19.888
115 HE2 TYR 18 HE2 TYR 18 29.160 14.315 21.095
116 HH TYR 18 HH TYR 18 31.466 14.205 18.456
117 H ARG 19 H ARG 19 34.298 17.688 25.260
118 HA ARG 19 HA ARG 19 34.115 18.002 28.261
119 HB2 ARG 19 HB2 ARG 19 35.793 19.660 26.357
120 HB3 ARG 19 HB3 ARG 19 35.820 19.653 28.106
121 HG2 ARG 19 HG2 ARG 19 36.572 17.163 27.916
122 HG3 ARG 19 HG3 ARG 19 36.807 17.514 26.194
123 HD2 ARG 19 HD2 ARG 19 38.925 17.893 27.112
124 HD3 ARG 19 HD3 ARG 19 38.242 19.515 26.948
125 HE ARG 19 HE ARG 19 37.690 18.332 29.558
126 HH11 ARG 19 HH11 ARG 19 40.313 19.967 27.848
127 HH12 ARG 19 HH12 ARG 19 41.185 20.223 29.345
128 HH21 ARG 19 HH21 ARG 19 38.659 18.964 31.324
129 HH22 ARG 19 HH22 ARG 19 40.105 19.973 31.285
130 H GLN 20 H GLN 20 33.632 19.759 25.240
131 HA GLN 20 HA GLN 20 31.424 21.367 26.424
132 HB2 GLN 20 HB2 GLN 20 33.877 22.531 25.036
133 HB3 GLN 20 HB3 GLN 20 32.388 23.424 25.355
134 HG2 GLN 20 HG2 GLN 20 32.694 23.076 27.795
135 HG3 GLN 20 HG3 GLN 20 34.226 22.258 27.467
136 HE21 GLN 20 HE21 GLN 20 35.807 25.417 26.371
137 HE22 GLN 20 HE22 GLN 20 35.875 23.684 26.070
138 H GLY 21 H GLY 21 30.020 22.255 24.894
139 HA2 GLY 21 HA2 GLY 21 29.933 21.096 22.200
140 HA3 GLY 21 HA3 GLY 21 28.751 22.105 22.957
141 H LYS 22 H LYS 22 29.167 22.750 20.515
142 HA LYS 22 HA LYS 22 30.977 25.134 20.407
143 HB2 LYS 22 HB2 LYS 22 30.395 23.093 18.243
144 HB3 LYS 22 HB3 LYS 22 31.352 24.564 18.032
145 HG2 LYS 22 HG2 LYS 22 32.933 23.774 19.806
146 HG3 LYS 22 HG3 LYS 22 32.052 22.249 19.887
147 HD2 LYS 22 HD2 LYS 22 33.438 23.344 17.402
148 HD3 LYS 22 HD3 LYS 22 34.093 22.109 18.495
149 HE2 LYS 22 HE2 LYS 22 32.122 20.667 18.044
150 HE3 LYS 22 HE3 LYS 22 31.497 21.896 16.931
151 HZ1 LYS 22 HZ1 LYS 22 33.436 21.563 15.536
152 HZ2 LYS 22 HZ2 LYS 22 34.080 20.464 16.586
153 HZ3 LYS 22 HZ3 LYS 22 32.702 20.108 15.785
154 H CYS 23 H CYS 23 28.531 25.763 21.313
155 HA CYS 23 HA CYS 23 26.452 26.052 19.445
156 HB2 CYS 23 HB2 CYS 23 25.402 27.418 21.008
157 HB3 CYS 23 HB3 CYS 23 26.364 26.313 21.979
158 H TRP 24 H TRP 24 29.348 27.935 19.534
159 HA TRP 24 HA TRP 24 28.472 30.326 18.188
160 HB2 TRP 24 HB2 TRP 24 30.879 30.591 17.780
161 HB3 TRP 24 HB3 TRP 24 30.547 30.174 19.453
162 HD1 TRP 24 HD1 TRP 24 31.540 27.914 20.380
163 HE1 TRP 24 HE1 TRP 24 33.273 26.234 19.515
164 HE3 TRP 24 HE3 TRP 24 31.783 29.454 15.496
165 HZ2 TRP 24 HZ2 TRP 24 34.652 25.686 17.042
166 HZ3 TRP 24 HZ3 TRP 24 33.322 28.340 13.914
167 HH2 TRP 24 HH2 TRP 24 34.803 26.486 14.681
168 H GLY 25 H GLY 25 29.114 27.058 17.028
169 HA2 GLY 25 HA2 GLY 25 29.742 27.785 14.302
170 HA3 GLY 25 HA3 GLY 25 29.408 26.176 14.935
171 H ILE 26 H ILE 26 26.678 26.893 15.918
172 HA ILE 26 HA ILE 26 25.098 27.515 13.539
173 HB ILE 26 HB ILE 26 25.864 25.101 13.332
174 HG12 ILE 26 HG12 ILE 26 22.843 25.370 13.520
175 HG13 ILE 26 HG13 ILE 26 23.830 26.109 12.248
176 HG21 ILE 26 HG21 ILE 26 23.887 24.532 15.575
177 HG22 ILE 26 HG22 ILE 26 24.896 23.367 14.702
178 HG23 ILE 26 HG23 ILE 26 25.641 24.542 15.792
179 HD11 ILE 26 HD11 ILE 26 22.939 24.023 11.426
180 HD12 ILE 26 HD12 ILE 26 24.703 23.897 11.591
181 HD13 ILE 26 HD13 ILE 26 23.638 23.129 12.789
182 H GLN 27 H GLN 27 22.825 27.861 14.076
183 HA GLN 27 HA GLN 27 22.313 28.126 17.028
184 HB2 GLN 27 HB2 GLN 27 22.166 30.316 14.906
185 HB3 GLN 27 HB3 GLN 27 21.430 30.411 16.497
186 HG2 GLN 27 HG2 GLN 27 23.391 31.520 16.885
187 HG3 GLN 27 HG3 GLN 27 23.756 29.915 17.490
188 HE21 GLN 27 HE21 GLN 27 26.732 30.070 15.570
189 HE22 GLN 27 HE22 GLN 27 25.932 29.568 17.060
190 H TYR 28 H TYR 28 20.813 27.629 13.861
191 HA TYR 28 HA TYR 28 18.096 27.588 15.078
192 HB2 TYR 28 HB2 TYR 28 19.158 27.179 12.269
193 HB3 TYR 28 HB3 TYR 28 17.521 26.777 12.708
194 HD1 TYR 28 HD1 TYR 28 19.922 29.625 12.414
195 HD2 TYR 28 HD2 TYR 28 15.830 28.412 13.090
196 HE1 TYR 28 HE1 TYR 28 19.163 31.963 12.060
197 HE2 TYR 28 HE2 TYR 28 15.079 30.755 12.710
198 HH TYR 28 HH TYR 28 17.408 33.413 12.200
199 H LYS 29 H LYS 29 20.458 25.219 13.819
200 HA LYS 29 HA LYS 29 18.793 22.932 14.824
201 HB2 LYS 29 HB2 LYS 29 21.313 22.987 13.138
202 HB3 LYS 29 HB3 LYS 29 20.468 21.534 13.669
203 HG2 LYS 29 HG2 LYS 29 18.459 22.222 12.389
204 HG3 LYS 29 HG3 LYS 29 19.256 23.724 11.894
205 HD2 LYS 29 HD2 LYS 29 19.388 22.181 10.064
206 HD3 LYS 29 HD3 LYS 29 21.009 22.403 10.731
207 HE2 LYS 29 HE2 LYS 29 20.627 20.256 12.070
208 HE3 LYS 29 HE3 LYS 29 19.127 20.038 11.165
209 HZ1 LYS 29 HZ1 LYS 29 21.003 18.846 10.199
210 HZ2 LYS 29 HZ2 LYS 29 20.441 19.978 9.145
211 HZ3 LYS 29 HZ3 LYS 29 21.844 20.227 9.997
212 H TYR 30 H TYR 30 19.952 21.250 16.118
213 HA TYR 30 HA TYR 30 21.102 22.551 18.391
214 HB2 TYR 30 HB2 TYR 30 19.678 20.369 18.229
215 HB3 TYR 30 HB3 TYR 30 21.222 19.558 18.032
216 HD1 TYR 30 HD1 TYR 30 19.054 21.557 20.239
217 HD2 TYR 30 HD2 TYR 30 22.836 19.493 19.970
218 HE1 TYR 30 HE1 TYR 30 19.353 21.784 22.704
219 HE2 TYR 30 HE2 TYR 30 23.125 19.723 22.441
220 HH TYR 30 HH TYR 30 21.075 21.803 24.362
221 H CYS 31 H CYS 31 23.124 22.372 19.374
222 HA CYS 31 HA CYS 31 25.305 22.767 17.653
223 HB2 CYS 31 HB2 CYS 31 26.555 23.104 19.661
224 HB3 CYS 31 HB3 CYS 31 24.948 23.765 19.902
225 H GLN 32 H GLN 32 27.327 21.800 17.502
226 HA GLN 32 HA GLN 32 27.594 18.841 17.926
227 HB2 GLN 32 HB2 GLN 32 29.105 20.810 16.166
228 HB3 GLN 32 HB3 GLN 32 29.599 19.140 16.394
229 HG2 GLN 32 HG2 GLN 32 26.869 19.920 15.278
230 HG3 GLN 32 HG3 GLN 32 28.301 19.671 14.288
231 HE21 GLN 32 HE21 GLN 32 26.207 16.455 14.766
232 HE22 GLN 32 HE22 GLN 32 25.549 18.085 14.915
233 H CYS 33 H CYS 33 30.010 18.313 18.573
234 HA CYS 33 HA CYS 33 30.873 20.257 20.689
235 HB2 CYS 33 HB2 CYS 33 30.719 17.373 21.305
236 HB3 CYS 33 HB3 CYS 33 30.615 18.747 22.425
237 H GLN 34 H GLN 34 32.695 19.415 22.045
238 HA GLN 34 HA GLN 34 34.885 18.166 20.480
239 HB2 GLN 34 HB2 GLN 34 36.353 20.089 21.097
240 HB3 GLN 34 HB3 GLN 34 35.104 20.454 19.915
241 HG2 GLN 34 HG2 GLN 34 33.784 21.680 21.529
242 HG3 GLN 34 HG3 GLN 34 34.757 21.093 22.866
243 HE21 GLN 34 HE21 GLN 34 36.391 24.188 22.811
244 HE22 GLN 34 HE22 GLN 34 35.063 23.310 23.513
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 19.207 19.660 27.745
2 H2 GLY 1 H2 GLY 1 20.559 18.970 28.380
3 H3 GLY 1 H3 GLY 1 19.081 18.350 28.729
4 HA2 GLY 1 HA2 GLY 1 20.344 17.027 27.064
5 HA3 GLY 1 HA3 GLY 1 18.728 17.569 26.548
6 H SER 2 H SER 2 19.394 17.383 24.337
7 HA SER 2 HA SER 2 21.715 18.810 23.346
8 HB2 SER 2 HB2 SER 2 19.483 17.325 21.922
9 HB3 SER 2 HB3 SER 2 20.918 17.984 21.114
10 HG SER 2 HG SER 2 22.146 16.502 21.957
11 H ALA 3 H ALA 3 18.980 20.349 24.295
12 HA ALA 3 HA ALA 3 18.216 21.921 22.070
13 HB1 ALA 3 HB1 ALA 3 18.232 22.598 25.043
14 HB2 ALA 3 HB2 ALA 3 17.296 23.447 23.787
15 HB3 ALA 3 HB3 ALA 3 16.947 21.752 24.149
16 H CYS 4 H CYS 4 18.575 24.217 21.681
17 HA CYS 4 HA CYS 4 21.402 24.788 21.421
18 HB2 CYS 4 HB2 CYS 4 19.733 25.055 19.625
19 HB3 CYS 4 HB3 CYS 4 18.965 26.341 20.531
20 H GLN 5 H GLN 5 20.957 24.803 24.094
21 HA GLN 5 HA GLN 5 20.414 27.492 25.148
22 HB2 GLN 5 HB2 GLN 5 21.153 24.822 26.354
23 HB3 GLN 5 HB3 GLN 5 20.954 26.264 27.335
24 HG2 GLN 5 HG2 GLN 5 18.763 25.151 25.524
25 HG3 GLN 5 HG3 GLN 5 18.937 24.774 27.237
26 HE21 GLN 5 HE21 GLN 5 16.692 27.880 26.570
27 HE22 GLN 5 HE22 GLN 5 16.804 26.450 25.573
28 H PHE 6 H PHE 6 21.798 28.787 26.244
29 HA PHE 6 HA PHE 6 24.133 29.541 25.180
30 HB2 PHE 6 HB2 PHE 6 22.624 30.558 27.046
31 HB3 PHE 6 HB3 PHE 6 23.674 29.737 28.171
32 HD1 PHE 6 HD1 PHE 6 23.264 32.603 25.954
33 HD2 PHE 6 HD2 PHE 6 26.198 30.350 28.168
34 HE1 PHE 6 HE1 PHE 6 24.854 34.505 25.792
35 HE2 PHE 6 HE2 PHE 6 27.770 32.259 28.026
36 HZ PHE 6 HZ PHE 6 27.103 34.340 26.840
37 H TRP 7 H TRP 7 24.024 27.496 28.090
38 HA TRP 7 HA TRP 7 26.761 26.453 27.477
39 HB2 TRP 7 HB2 TRP 7 27.345 26.561 29.866
40 HB3 TRP 7 HB3 TRP 7 27.197 28.111 29.076
41 HD1 TRP 7 HD1 TRP 7 25.945 29.878 30.326
42 HE1 TRP 7 HE1 TRP 7 24.469 30.036 32.397
43 HE3 TRP 7 HE3 TRP 7 25.325 24.866 31.248
44 HZ2 TRP 7 HZ2 TRP 7 23.167 28.222 34.226
45 HZ3 TRP 7 HZ3 TRP 7 23.942 24.122 33.157
46 HH2 TRP 7 HH2 TRP 7 22.878 25.778 34.672
47 H SER 8 H SER 8 23.522 25.751 28.591
48 HA SER 8 HA SER 8 24.043 23.241 29.801
49 HB2 SER 8 HB2 SER 8 21.593 23.692 28.100
50 HB3 SER 8 HB3 SER 8 21.780 22.675 29.526
51 HG SER 8 HG SER 8 20.738 24.490 30.145
52 H CYS 9 H CYS 9 24.051 24.021 26.365
53 HA CYS 9 HA CYS 9 24.028 21.373 25.283
54 HB2 CYS 9 HB2 CYS 9 23.729 23.266 23.850
55 HB3 CYS 9 HB3 CYS 9 25.243 23.989 24.383
56 H ASN 10 H ASN 10 26.810 23.342 26.556
57 HA ASN 10 HA ASN 10 28.845 21.442 26.029
58 HB2 ASN 10 HB2 ASN 10 29.161 23.838 26.784
59 HB3 ASN 10 HB3 ASN 10 28.644 23.367 28.395
60 HD21 ASN 10 HD21 ASN 10 31.878 22.309 29.241
61 HD22 ASN 10 HD22 ASN 10 30.277 22.805 29.788
62 H SER 11 H SER 11 26.828 21.807 28.998
63 HA SER 11 HA SER 11 27.903 19.598 30.426
64 HB2 SER 11 HB2 SER 11 25.110 20.814 30.553
65 HB3 SER 11 HB3 SER 11 25.813 19.708 31.748
66 HG SER 11 HG SER 11 26.156 21.793 32.465
67 H SER 12 H SER 12 25.161 19.701 28.123
68 HA SER 12 HA SER 12 24.451 16.932 28.267
69 HB2 SER 12 HB2 SER 12 22.968 18.555 27.304
70 HB3 SER 12 HB3 SER 12 24.147 19.003 26.062
71 HG SER 12 HG SER 12 23.751 17.233 24.958
72 H CYS 13 H CYS 13 26.717 18.640 26.032
73 HA CYS 13 HA CYS 13 27.467 16.386 24.508
74 HB2 CYS 13 HB2 CYS 13 29.044 18.888 25.283
75 HB3 CYS 13 HB3 CYS 13 29.580 17.744 24.097
76 H ILE 14 H ILE 14 29.014 17.696 27.509
77 HA ILE 14 HA ILE 14 31.134 15.792 27.618
78 HB ILE 14 HB ILE 14 29.708 17.401 29.758
79 HG12 ILE 14 HG12 ILE 14 32.519 17.669 28.588
80 HG13 ILE 14 HG13 ILE 14 31.136 18.512 27.913
81 HG21 ILE 14 HG21 ILE 14 32.214 15.676 30.069
82 HG22 ILE 14 HG22 ILE 14 31.613 16.836 31.270
83 HG23 ILE 14 HG23 ILE 14 30.655 15.423 30.879
84 HD11 ILE 14 HD11 ILE 14 32.330 20.023 29.349
85 HD12 ILE 14 HD12 ILE 14 30.750 19.666 30.082
86 HD13 ILE 14 HD13 ILE 14 32.231 18.911 30.720
87 H SER 15 H SER 15 27.759 15.541 28.806
88 HA SER 15 HA SER 15 28.126 12.901 29.896
89 HB2 SER 15 HB2 SER 15 26.291 14.346 30.611
90 HB3 SER 15 HB3 SER 15 25.617 14.339 28.978
91 HG SER 15 HG SER 15 25.488 12.463 30.976
92 H ARG 16 H ARG 16 27.038 13.956 26.615
93 HA ARG 16 HA ARG 16 26.712 11.311 25.504
94 HB2 ARG 16 HB2 ARG 16 27.555 13.945 24.240
95 HB3 ARG 16 HB3 ARG 16 27.193 12.504 23.317
96 HG2 ARG 16 HG2 ARG 16 25.209 14.086 24.985
97 HG3 ARG 16 HG3 ARG 16 25.401 14.111 23.251
98 HD2 ARG 16 HD2 ARG 16 23.684 12.635 23.315
99 HD3 ARG 16 HD3 ARG 16 25.000 11.467 23.491
100 HE ARG 16 HE ARG 16 24.024 12.563 26.026
101 HH11 ARG 16 HH11 ARG 16 23.348 10.005 23.653
102 HH12 ARG 16 HH12 ARG 16 22.272 9.182 24.729
103 HH21 ARG 16 HH21 ARG 16 22.636 11.433 27.331
104 HH22 ARG 16 HH22 ARG 16 21.846 9.993 26.749
105 H GLY 17 H GLY 17 29.606 12.732 26.637
106 HA2 GLY 17 HA2 GLY 17 31.619 11.541 26.803
107 HA3 GLY 17 HA3 GLY 17 31.194 10.555 25.407
108 H TYR 18 H TYR 18 30.952 14.065 25.212
109 HA TYR 18 HA TYR 18 33.261 14.228 23.333
110 HB2 TYR 18 HB2 TYR 18 30.994 16.122 23.996
111 HB3 TYR 18 HB3 TYR 18 32.250 16.488 22.855
112 HD1 TYR 18 HD1 TYR 18 32.574 14.756 20.862
113 HD2 TYR 18 HD2 TYR 18 28.983 15.219 23.189
114 HE1 TYR 18 HE1 TYR 18 31.215 13.943 18.946
115 HE2 TYR 18 HE2 TYR 18 27.629 14.379 21.276
116 HH TYR 18 HH TYR 18 29.077 13.210 18.274
117 H ARG 19 H ARG 19 34.531 16.264 23.501
118 HA ARG 19 HA ARG 19 35.671 16.571 26.184
119 HB2 ARG 19 HB2 ARG 19 37.011 16.642 24.073
120 HB3 ARG 19 HB3 ARG 19 36.206 18.119 23.610
121 HG2 ARG 19 HG2 ARG 19 38.381 18.662 24.458
122 HG3 ARG 19 HG3 ARG 19 37.160 19.320 25.540
123 HD2 ARG 19 HD2 ARG 19 38.981 18.390 26.833
124 HD3 ARG 19 HD3 ARG 19 37.525 17.431 27.098
125 HE ARG 19 HE ARG 19 39.749 16.655 25.211
126 HH11 ARG 19 HH11 ARG 19 37.563 15.538 27.813
127 HH12 ARG 19 HH12 ARG 19 37.854 13.877 27.321
128 HH21 ARG 19 HH21 ARG 19 40.033 14.440 24.854
129 HH22 ARG 19 HH22 ARG 19 39.118 13.318 25.851
130 H GLN 20 H GLN 20 34.133 18.834 23.970
131 HA GLN 20 HA GLN 20 32.521 20.156 26.012
132 HB2 GLN 20 HB2 GLN 20 34.810 21.632 24.611
133 HB3 GLN 20 HB3 GLN 20 33.407 22.449 25.278
134 HG2 GLN 20 HG2 GLN 20 34.009 21.087 27.476
135 HG3 GLN 20 HG3 GLN 20 35.615 21.003 26.741
136 HE21 GLN 20 HE21 GLN 20 34.174 24.681 27.943
137 HE22 GLN 20 HE22 GLN 20 33.057 23.580 27.122
138 H GLY 21 H GLY 21 31.042 21.787 24.950
139 HA2 GLY 21 HA2 GLY 21 30.970 21.898 22.033
140 HA3 GLY 21 HA3 GLY 21 29.622 21.015 22.733
141 H LYS 22 H LYS 22 29.205 23.122 21.129
142 HA LYS 22 HA LYS 22 27.726 25.051 22.791
143 HB2 LYS 22 HB2 LYS 22 30.102 25.887 22.304
144 HB3 LYS 22 HB3 LYS 22 29.626 25.936 20.603
145 HG2 LYS 22 HG2 LYS 22 27.779 27.563 21.239
146 HG3 LYS 22 HG3 LYS 22 28.332 27.453 22.922
147 HD2 LYS 22 HD2 LYS 22 29.323 29.423 22.033
148 HD3 LYS 22 HD3 LYS 22 30.611 28.195 22.123
149 HE2 LYS 22 HE2 LYS 22 30.356 27.701 19.736
150 HE3 LYS 22 HE3 LYS 22 28.975 28.801 19.624
151 HZ1 LYS 22 HZ1 LYS 22 31.798 29.627 20.163
152 HZ2 LYS 22 HZ2 LYS 22 30.945 29.868 18.797
153 HZ3 LYS 22 HZ3 LYS 22 30.522 30.653 20.157
154 H CYS 23 H CYS 23 25.958 26.031 21.651
155 HA CYS 23 HA CYS 23 25.065 24.618 19.245
156 HB2 CYS 23 HB2 CYS 23 23.489 25.407 21.007
157 HB3 CYS 23 HB3 CYS 23 23.881 27.076 20.548
158 H TRP 24 H TRP 24 25.793 25.030 17.231
159 HA TRP 24 HA TRP 24 25.879 27.706 16.163
160 HB2 TRP 24 HB2 TRP 24 28.148 28.061 15.811
161 HB3 TRP 24 HB3 TRP 24 28.068 27.598 17.481
162 HD1 TRP 24 HD1 TRP 24 28.790 24.895 17.934
163 HE1 TRP 24 HE1 TRP 24 30.789 23.627 16.945
164 HE3 TRP 24 HE3 TRP 24 29.547 27.750 13.744
165 HZ2 TRP 24 HZ2 TRP 24 32.599 23.932 14.715
166 HZ3 TRP 24 HZ3 TRP 24 31.457 27.264 12.231
167 HH2 TRP 24 HH2 TRP 24 33.004 25.382 12.725
168 H GLY 25 H GLY 25 26.918 27.682 13.878
169 HA2 GLY 25 HA2 GLY 25 27.685 25.351 12.520
170 HA3 GLY 25 HA3 GLY 25 25.966 25.559 12.205
171 H ILE 26 H ILE 26 27.877 25.576 10.218
172 HA ILE 26 HA ILE 26 27.872 28.386 9.159
173 HB ILE 26 HB ILE 26 29.108 25.843 8.039
174 HG12 ILE 26 HG12 ILE 26 30.393 26.522 9.963
175 HG13 ILE 26 HG13 ILE 26 31.294 26.850 8.500
176 HG21 ILE 26 HG21 ILE 26 30.267 27.398 6.444
177 HG22 ILE 26 HG22 ILE 26 28.529 27.290 6.189
178 HG23 ILE 26 HG23 ILE 26 29.208 28.707 7.007
179 HD11 ILE 26 HD11 ILE 26 29.866 28.888 10.248
180 HD12 ILE 26 HD12 ILE 26 31.611 28.655 10.079
181 HD13 ILE 26 HD13 ILE 26 30.675 29.286 8.713
182 H GLN 27 H GLN 27 26.534 25.143 8.686
183 HA GLN 27 HA GLN 27 24.884 26.086 6.396
184 HB2 GLN 27 HB2 GLN 27 25.327 23.241 7.337
185 HB3 GLN 27 HB3 GLN 27 24.670 23.771 5.797
186 HG2 GLN 27 HG2 GLN 27 27.558 24.013 6.744
187 HG3 GLN 27 HG3 GLN 27 26.933 22.930 5.518
188 HE21 GLN 27 HE21 GLN 27 28.565 25.636 3.656
189 HE22 GLN 27 HE22 GLN 27 29.066 24.330 4.730
190 H TYR 28 H TYR 28 24.473 24.702 9.659
191 HA TYR 28 HA TYR 28 21.861 25.869 9.806
192 HB2 TYR 28 HB2 TYR 28 20.540 23.952 10.344
193 HB3 TYR 28 HB3 TYR 28 21.203 23.732 8.744
194 HD1 TYR 28 HD1 TYR 28 22.646 21.842 8.240
195 HD2 TYR 28 HD2 TYR 28 21.380 22.607 12.294
196 HE1 TYR 28 HE1 TYR 28 23.441 19.580 8.918
197 HE2 TYR 28 HE2 TYR 28 22.201 20.341 12.967
198 HH TYR 28 HH TYR 28 23.580 18.047 10.602
199 H LYS 29 H LYS 29 21.185 26.173 12.023
200 HA LYS 29 HA LYS 29 23.466 25.925 13.890
201 HB2 LYS 29 HB2 LYS 29 22.251 28.105 13.465
202 HB3 LYS 29 HB3 LYS 29 20.858 27.416 14.318
203 HG2 LYS 29 HG2 LYS 29 22.465 26.959 16.265
204 HG3 LYS 29 HG3 LYS 29 23.667 27.922 15.417
205 HD2 LYS 29 HD2 LYS 29 20.914 28.870 16.311
206 HD3 LYS 29 HD3 LYS 29 22.394 29.137 17.214
207 HE2 LYS 29 HE2 LYS 29 21.974 30.198 14.379
208 HE3 LYS 29 HE3 LYS 29 21.521 31.080 15.839
209 HZ1 LYS 29 HZ1 LYS 29 23.882 30.822 16.573
210 HZ2 LYS 29 HZ2 LYS 29 24.275 30.295 15.090
211 HZ3 LYS 29 HZ3 LYS 29 23.655 31.823 15.290
212 H TYR 30 H TYR 30 23.637 24.390 15.365
213 HA TYR 30 HA TYR 30 21.379 23.399 16.930
214 HB2 TYR 30 HB2 TYR 30 21.426 22.041 14.748
215 HB3 TYR 30 HB3 TYR 30 22.984 21.417 15.265
216 HD1 TYR 30 HD1 TYR 30 23.060 19.549 16.810
217 HD2 TYR 30 HD2 TYR 30 19.361 21.674 16.148
218 HE1 TYR 30 HE1 TYR 30 21.834 17.832 18.124
219 HE2 TYR 30 HE2 TYR 30 18.137 19.937 17.442
220 HH TYR 30 HH TYR 30 19.587 16.953 18.495
221 H CYS 31 H CYS 31 22.186 21.946 18.733
222 HA CYS 31 HA CYS 31 24.689 22.756 19.894
223 HB2 CYS 31 HB2 CYS 31 22.792 22.042 21.216
224 HB3 CYS 31 HB3 CYS 31 22.851 20.444 20.480
225 H GLN 32 H GLN 32 26.680 22.284 19.210
226 HA GLN 32 HA GLN 32 27.293 19.563 18.130
227 HB2 GLN 32 HB2 GLN 32 28.510 22.226 17.311
228 HB3 GLN 32 HB3 GLN 32 29.040 20.652 16.739
229 HG2 GLN 32 HG2 GLN 32 26.325 21.890 16.212
230 HG3 GLN 32 HG3 GLN 32 27.688 21.870 15.105
231 HE21 GLN 32 HE21 GLN 32 25.441 19.169 13.991
232 HE22 GLN 32 HE22 GLN 32 25.433 20.944 14.064
233 H CYS 33 H CYS 33 29.496 18.883 18.455
234 HA CYS 33 HA CYS 33 30.886 20.086 20.779
235 HB2 CYS 33 HB2 CYS 33 30.397 17.200 21.000
236 HB3 CYS 33 HB3 CYS 33 30.527 18.438 22.262
237 H GLN 34 H GLN 34 32.829 18.828 21.436
238 HA GLN 34 HA GLN 34 34.453 18.144 19.042
239 HB2 GLN 34 HB2 GLN 34 35.119 19.089 21.844
240 HB3 GLN 34 HB3 GLN 34 36.346 18.707 20.628
241 HG2 GLN 34 HG2 GLN 34 35.755 20.542 19.258
242 HG3 GLN 34 HG3 GLN 34 34.166 20.708 19.974
243 HE21 GLN 34 HE21 GLN 34 35.637 23.564 21.457
244 HE22 GLN 34 HE22 GLN 34 34.969 23.010 19.913
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 18.853 32.599 12.457
2 H2 GLY 1 H2 GLY 1 19.722 31.696 13.531
3 H3 GLY 1 H3 GLY 1 20.505 32.620 12.424
4 HA2 GLY 1 HA2 GLY 1 19.726 34.638 13.429
5 HA3 GLY 1 HA3 GLY 1 18.776 33.661 14.570
6 H SER 2 H SER 2 20.762 35.614 15.301
7 HA SER 2 HA SER 2 23.316 34.370 15.787
8 HB2 SER 2 HB2 SER 2 22.196 36.897 17.034
9 HB3 SER 2 HB3 SER 2 23.899 36.469 16.844
10 HG SER 2 HG SER 2 23.791 36.860 14.723
11 H ALA 3 H ALA 3 20.427 34.352 17.734
12 HA ALA 3 HA ALA 3 21.879 34.111 20.288
13 HB1 ALA 3 HB1 ALA 3 18.916 34.285 19.626
14 HB2 ALA 3 HB2 ALA 3 19.628 34.330 21.244
15 HB3 ALA 3 HB3 ALA 3 19.982 35.630 20.106
16 H CYS 4 H CYS 4 22.208 32.257 21.411
17 HA CYS 4 HA CYS 4 20.391 29.973 21.141
18 HB2 CYS 4 HB2 CYS 4 22.203 29.804 19.351
19 HB3 CYS 4 HB3 CYS 4 23.339 29.513 20.672
20 H GLN 5 H GLN 5 20.977 28.188 22.691
21 HA GLN 5 HA GLN 5 21.289 28.955 25.364
22 HB2 GLN 5 HB2 GLN 5 21.722 26.581 25.825
23 HB3 GLN 5 HB3 GLN 5 20.307 26.883 24.853
24 HG2 GLN 5 HG2 GLN 5 22.064 26.352 22.834
25 HG3 GLN 5 HG3 GLN 5 22.884 25.496 24.127
26 HE21 GLN 5 HE21 GLN 5 19.060 24.217 23.167
27 HE22 GLN 5 HE22 GLN 5 19.472 25.907 22.869
28 H PHE 6 H PHE 6 22.887 29.074 26.834
29 HA PHE 6 HA PHE 6 25.596 29.639 26.050
30 HB2 PHE 6 HB2 PHE 6 24.192 29.125 28.701
31 HB3 PHE 6 HB3 PHE 6 25.914 29.452 28.611
32 HD1 PHE 6 HD1 PHE 6 22.913 31.077 29.277
33 HD2 PHE 6 HD2 PHE 6 26.596 31.558 27.081
34 HE1 PHE 6 HE1 PHE 6 22.663 33.543 29.381
35 HE2 PHE 6 HE2 PHE 6 26.341 34.019 27.195
36 HZ PHE 6 HZ PHE 6 24.378 35.017 28.337
37 H TRP 7 H TRP 7 24.248 26.900 27.948
38 HA TRP 7 HA TRP 7 26.532 25.171 27.182
39 HB2 TRP 7 HB2 TRP 7 27.140 24.779 29.537
40 HB3 TRP 7 HB3 TRP 7 27.429 26.421 29.018
41 HD1 TRP 7 HD1 TRP 7 26.491 28.280 30.466
42 HE1 TRP 7 HE1 TRP 7 24.910 28.473 32.472
43 HE3 TRP 7 HE3 TRP 7 24.958 23.389 30.799
44 HZ2 TRP 7 HZ2 TRP 7 23.201 26.750 34.015
45 HZ3 TRP 7 HZ3 TRP 7 23.367 22.703 32.564
46 HH2 TRP 7 HH2 TRP 7 22.496 24.362 34.180
47 H SER 8 H SER 8 23.171 25.312 27.721
48 HA SER 8 HA SER 8 22.807 22.733 28.898
49 HB2 SER 8 HB2 SER 8 20.586 22.685 27.859
50 HB3 SER 8 HB3 SER 8 20.942 24.231 28.643
51 HG SER 8 HG SER 8 20.929 23.645 25.851
52 H CYS 9 H CYS 9 23.745 23.521 25.593
53 HA CYS 9 HA CYS 9 23.662 20.754 24.649
54 HB2 CYS 9 HB2 CYS 9 23.584 22.536 23.024
55 HB3 CYS 9 HB3 CYS 9 25.059 23.253 23.645
56 H ASN 10 H ASN 10 26.271 22.934 25.913
57 HA ASN 10 HA ASN 10 28.420 21.193 25.767
58 HB2 ASN 10 HB2 ASN 10 28.395 23.653 26.434
59 HB3 ASN 10 HB3 ASN 10 27.926 23.147 28.058
60 HD21 ASN 10 HD21 ASN 10 31.229 22.251 28.914
61 HD22 ASN 10 HD22 ASN 10 29.561 22.296 29.461
62 H SER 11 H SER 11 26.205 21.466 28.592
63 HA SER 11 HA SER 11 27.501 19.449 30.171
64 HB2 SER 11 HB2 SER 11 25.896 21.216 30.981
65 HB3 SER 11 HB3 SER 11 24.574 20.279 30.262
66 HG SER 11 HG SER 11 26.295 19.678 32.420
67 H SER 12 H SER 12 24.890 19.243 27.745
68 HA SER 12 HA SER 12 24.400 16.416 28.046
69 HB2 SER 12 HB2 SER 12 22.805 17.896 26.920
70 HB3 SER 12 HB3 SER 12 23.986 18.238 25.644
71 HG SER 12 HG SER 12 22.936 15.692 26.338
72 H CYS 13 H CYS 13 26.584 18.282 25.841
73 HA CYS 13 HA CYS 13 27.698 16.104 24.494
74 HB2 CYS 13 HB2 CYS 13 29.044 18.698 25.404
75 HB3 CYS 13 HB3 CYS 13 29.711 17.615 24.217
76 H ILE 14 H ILE 14 28.908 17.580 27.576
77 HA ILE 14 HA ILE 14 31.098 15.778 27.920
78 HB ILE 14 HB ILE 14 29.431 17.285 29.950
79 HG12 ILE 14 HG12 ILE 14 32.256 17.877 28.965
80 HG13 ILE 14 HG13 ILE 14 30.841 18.551 28.162
81 HG21 ILE 14 HG21 ILE 14 32.103 15.869 30.365
82 HG22 ILE 14 HG22 ILE 14 31.296 16.911 31.553
83 HG23 ILE 14 HG23 ILE 14 30.554 15.393 31.086
84 HD11 ILE 14 HD11 ILE 14 30.132 19.629 30.284
85 HD12 ILE 14 HD12 ILE 14 31.633 19.063 31.055
86 HD13 ILE 14 HD13 ILE 14 31.704 20.186 29.693
87 H SER 15 H SER 15 27.672 15.444 28.751
88 HA SER 15 HA SER 15 27.910 12.858 30.003
89 HB2 SER 15 HB2 SER 15 25.419 14.061 28.721
90 HB3 SER 15 HB3 SER 15 25.510 12.831 29.983
91 HG SER 15 HG SER 15 26.120 15.608 30.141
92 H ARG 16 H ARG 16 27.536 13.812 26.623
93 HA ARG 16 HA ARG 16 27.301 11.036 25.618
94 HB2 ARG 16 HB2 ARG 16 27.902 13.646 24.190
95 HB3 ARG 16 HB3 ARG 16 27.551 12.119 23.402
96 HG2 ARG 16 HG2 ARG 16 25.570 13.718 25.074
97 HG3 ARG 16 HG3 ARG 16 25.718 13.745 23.339
98 HD2 ARG 16 HD2 ARG 16 23.915 12.310 23.741
99 HD3 ARG 16 HD3 ARG 16 25.264 11.232 23.354
100 HE ARG 16 HE ARG 16 24.997 11.750 26.202
101 HH11 ARG 16 HH11 ARG 16 23.555 9.843 23.629
102 HH12 ARG 16 HH12 ARG 16 23.118 8.540 24.713
103 HH21 ARG 16 HH21 ARG 16 24.266 10.006 27.574
104 HH22 ARG 16 HH22 ARG 16 23.343 8.733 26.832
105 H GLY 17 H GLY 17 29.788 12.405 27.187
106 HA2 GLY 17 HA2 GLY 17 31.850 11.385 27.496
107 HA3 GLY 17 HA3 GLY 17 31.661 10.512 25.977
108 H TYR 18 H TYR 18 31.104 13.855 25.537
109 HA TYR 18 HA TYR 18 33.697 14.287 24.180
110 HB2 TYR 18 HB2 TYR 18 31.221 16.002 24.491
111 HB3 TYR 18 HB3 TYR 18 32.580 16.409 23.484
112 HD1 TYR 18 HD1 TYR 18 29.354 15.079 23.408
113 HD2 TYR 18 HD2 TYR 18 33.250 14.560 21.645
114 HE1 TYR 18 HE1 TYR 18 28.299 14.108 21.382
115 HE2 TYR 18 HE2 TYR 18 32.185 13.579 19.617
116 HH TYR 18 HH TYR 18 30.056 12.520 18.901
117 H ARG 19 H ARG 19 34.380 16.781 24.558
118 HA ARG 19 HA ARG 19 34.825 17.147 27.516
119 HB2 ARG 19 HB2 ARG 19 36.476 18.046 25.123
120 HB3 ARG 19 HB3 ARG 19 36.781 18.509 26.789
121 HG2 ARG 19 HG2 ARG 19 36.811 15.849 27.155
122 HG3 ARG 19 HG3 ARG 19 37.094 15.840 25.413
123 HD2 ARG 19 HD2 ARG 19 38.797 17.056 27.602
124 HD3 ARG 19 HD3 ARG 19 39.231 15.734 26.516
125 HE ARG 19 HE ARG 19 38.809 17.873 24.799
126 HH11 ARG 19 HH11 ARG 19 40.938 17.499 27.626
127 HH12 ARG 19 HH12 ARG 19 41.914 18.851 27.051
128 HH21 ARG 19 HH21 ARG 19 40.160 19.491 24.254
129 HH22 ARG 19 HH22 ARG 19 41.540 19.875 25.307
130 H GLN 20 H GLN 20 33.905 18.832 24.565
131 HA GLN 20 HA GLN 20 32.242 20.679 26.117
132 HB2 GLN 20 HB2 GLN 20 33.207 22.723 25.406
133 HB3 GLN 20 HB3 GLN 20 34.483 21.814 26.182
134 HG2 GLN 20 HG2 GLN 20 34.212 21.809 23.133
135 HG3 GLN 20 HG3 GLN 20 34.911 23.164 23.983
136 HE21 GLN 20 HE21 GLN 20 37.160 19.806 23.627
137 HE22 GLN 20 HE22 GLN 20 35.439 19.611 23.360
138 H GLY 21 H GLY 21 30.764 21.956 24.770
139 HA2 GLY 21 HA2 GLY 21 30.962 21.857 21.868
140 HA3 GLY 21 HA3 GLY 21 29.553 20.996 22.483
141 H LYS 22 H LYS 22 30.077 23.652 20.946
142 HA LYS 22 HA LYS 22 28.384 25.460 22.616
143 HB2 LYS 22 HB2 LYS 22 30.735 26.164 22.587
144 HB3 LYS 22 HB3 LYS 22 30.733 26.191 20.815
145 HG2 LYS 22 HG2 LYS 22 28.938 27.944 20.881
146 HG3 LYS 22 HG3 LYS 22 28.985 27.885 22.646
147 HD2 LYS 22 HD2 LYS 22 31.215 28.783 20.796
148 HD3 LYS 22 HD3 LYS 22 30.183 29.813 21.804
149 HE2 LYS 22 HE2 LYS 22 31.151 28.250 23.754
150 HE3 LYS 22 HE3 LYS 22 32.440 27.968 22.576
151 HZ1 LYS 22 HZ1 LYS 22 31.578 30.579 23.708
152 HZ2 LYS 22 HZ2 LYS 22 33.027 29.853 23.942
153 HZ3 LYS 22 HZ3 LYS 22 32.658 30.469 22.470
154 H CYS 23 H CYS 23 26.670 26.345 21.624
155 HA CYS 23 HA CYS 23 25.821 25.357 19.009
156 HB2 CYS 23 HB2 CYS 23 24.299 25.645 20.921
157 HB3 CYS 23 HB3 CYS 23 24.656 27.374 20.949
158 H TRP 24 H TRP 24 27.318 26.177 17.456
159 HA TRP 24 HA TRP 24 26.647 28.784 16.447
160 HB2 TRP 24 HB2 TRP 24 28.545 30.007 16.760
161 HB3 TRP 24 HB3 TRP 24 28.490 29.178 18.293
162 HD1 TRP 24 HD1 TRP 24 30.262 27.076 18.554
163 HE1 TRP 24 HE1 TRP 24 32.638 26.786 17.602
164 HE3 TRP 24 HE3 TRP 24 30.007 30.440 14.694
165 HZ2 TRP 24 HZ2 TRP 24 34.188 27.837 15.412
166 HZ3 TRP 24 HZ3 TRP 24 31.932 30.735 13.156
167 HH2 TRP 24 HH2 TRP 24 34.033 29.457 13.516
168 H GLY 25 H GLY 25 27.633 29.287 14.412
169 HA2 GLY 25 HA2 GLY 25 29.287 28.820 12.711
170 HA3 GLY 25 HA3 GLY 25 29.130 27.105 13.017
171 H ILE 26 H ILE 26 28.423 26.260 11.211
172 HA ILE 26 HA ILE 26 25.834 26.993 10.050
173 HB ILE 26 HB ILE 26 27.328 28.552 8.918
174 HG12 ILE 26 HG12 ILE 26 26.502 26.392 6.954
175 HG13 ILE 26 HG13 ILE 26 25.353 27.470 7.761
176 HG21 ILE 26 HG21 ILE 26 28.815 26.155 7.793
177 HG22 ILE 26 HG22 ILE 26 29.123 27.864 7.439
178 HG23 ILE 26 HG23 ILE 26 29.440 27.237 9.059
179 HD11 ILE 26 HD11 ILE 26 25.849 28.332 5.557
180 HD12 ILE 26 HD12 ILE 26 26.541 29.432 6.760
181 HD13 ILE 26 HD13 ILE 26 27.590 28.310 5.859
182 H GLN 27 H GLN 27 28.609 24.784 10.223
183 HA GLN 27 HA GLN 27 27.595 22.680 8.599
184 HB2 GLN 27 HB2 GLN 27 29.919 22.946 9.557
185 HB3 GLN 27 HB3 GLN 27 29.259 22.567 11.142
186 HG2 GLN 27 HG2 GLN 27 30.207 20.563 10.440
187 HG3 GLN 27 HG3 GLN 27 28.495 20.316 10.163
188 HE21 GLN 27 HE21 GLN 27 30.034 18.934 7.177
189 HE22 GLN 27 HE22 GLN 27 29.503 18.548 8.825
190 H TYR 28 H TYR 28 26.909 23.554 11.973
191 HA TYR 28 HA TYR 28 25.673 21.192 12.829
192 HB2 TYR 28 HB2 TYR 28 24.951 22.427 14.721
193 HB3 TYR 28 HB3 TYR 28 26.562 22.937 14.296
194 HD1 TYR 28 HD1 TYR 28 25.011 24.924 11.963
195 HD2 TYR 28 HD2 TYR 28 25.067 24.380 16.246
196 HE1 TYR 28 HE1 TYR 28 24.208 27.238 12.272
197 HE2 TYR 28 HE2 TYR 28 24.282 26.721 16.532
198 HH TYR 28 HH TYR 28 22.823 28.466 14.210
199 H LYS 29 H LYS 29 23.599 20.540 13.290
200 HA LYS 29 HA LYS 29 21.356 21.775 11.707
201 HB2 LYS 29 HB2 LYS 29 21.462 19.115 13.182
202 HB3 LYS 29 HB3 LYS 29 20.143 19.698 12.191
203 HG2 LYS 29 HG2 LYS 29 22.942 19.027 11.177
204 HG3 LYS 29 HG3 LYS 29 21.528 17.971 11.087
205 HD2 LYS 29 HD2 LYS 29 20.376 19.622 9.632
206 HD3 LYS 29 HD3 LYS 29 21.817 20.661 9.679
207 HE2 LYS 29 HE2 LYS 29 23.179 18.850 8.689
208 HE3 LYS 29 HE3 LYS 29 21.770 17.781 8.669
209 HZ1 LYS 29 HZ1 LYS 29 21.966 20.345 7.186
210 HZ2 LYS 29 HZ2 LYS 29 22.178 18.892 6.499
211 HZ3 LYS 29 HZ3 LYS 29 20.701 19.262 7.102
212 H TYR 30 H TYR 30 22.421 21.032 14.988
213 HA TYR 30 HA TYR 30 20.562 23.070 16.061
214 HB2 TYR 30 HB2 TYR 30 19.553 20.720 16.175
215 HB3 TYR 30 HB3 TYR 30 20.827 20.317 17.317
216 HD1 TYR 30 HD1 TYR 30 20.808 21.371 19.629
217 HD2 TYR 30 HD2 TYR 30 17.665 22.047 16.756
218 HE1 TYR 30 HE1 TYR 30 19.305 22.127 21.456
219 HE2 TYR 30 HE2 TYR 30 16.154 22.796 18.590
220 HH TYR 30 HH TYR 30 17.199 22.952 22.006
221 H CYS 31 H CYS 31 23.108 20.721 17.008
222 HA CYS 31 HA CYS 31 24.997 22.745 17.766
223 HB2 CYS 31 HB2 CYS 31 23.462 22.781 19.763
224 HB3 CYS 31 HB3 CYS 31 23.840 21.077 20.031
225 H GLN 32 H GLN 32 27.118 21.820 18.227
226 HA GLN 32 HA GLN 32 27.494 18.882 17.849
227 HB2 GLN 32 HB2 GLN 32 28.916 21.098 16.305
228 HB3 GLN 32 HB3 GLN 32 29.348 19.386 16.282
229 HG2 GLN 32 HG2 GLN 32 27.125 18.840 15.318
230 HG3 GLN 32 HG3 GLN 32 26.742 20.560 15.234
231 HE21 GLN 32 HE21 GLN 32 28.171 19.276 11.939
232 HE22 GLN 32 HE22 GLN 32 26.833 18.767 12.960
233 H CYS 33 H CYS 33 29.395 18.022 18.778
234 HA CYS 33 HA CYS 33 30.828 19.846 20.674
235 HB2 CYS 33 HB2 CYS 33 30.513 16.979 21.301
236 HB3 CYS 33 HB3 CYS 33 30.545 18.387 22.365
237 H GLN 34 H GLN 34 32.809 18.987 21.595
238 HA GLN 34 HA GLN 34 34.514 17.262 19.882
239 HB2 GLN 34 HB2 GLN 34 35.312 19.886 21.221
240 HB3 GLN 34 HB3 GLN 34 36.409 18.742 20.451
241 HG2 GLN 34 HG2 GLN 34 35.138 19.158 18.274
242 HG3 GLN 34 HG3 GLN 34 34.272 20.447 19.122
243 HE21 GLN 34 HE21 GLN 34 36.989 22.329 17.604
244 HE22 GLN 34 HE22 GLN 34 35.243 22.002 17.522
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 11.693 19.203 16.663
2 H2 GLY 1 H2 GLY 1 12.961 19.253 15.612
3 H3 GLY 1 H3 GLY 1 11.976 20.564 15.786
4 HA2 GLY 1 HA2 GLY 1 12.689 20.931 18.018
5 HA3 GLY 1 HA3 GLY 1 13.670 19.463 17.919
6 H SER 2 H SER 2 15.665 20.203 18.099
7 HA SER 2 HA SER 2 17.655 21.058 17.588
8 HB2 SER 2 HB2 SER 2 17.156 19.909 15.483
9 HB3 SER 2 HB3 SER 2 16.542 21.415 14.796
10 HG SER 2 HG SER 2 18.697 20.859 14.292
11 H ALA 3 H ALA 3 17.911 22.803 18.850
12 HA ALA 3 HA ALA 3 17.918 25.427 17.476
13 HB1 ALA 3 HB1 ALA 3 16.733 26.513 19.309
14 HB2 ALA 3 HB2 ALA 3 15.708 25.250 18.607
15 HB3 ALA 3 HB3 ALA 3 16.532 24.958 20.149
16 H CYS 4 H CYS 4 19.289 26.977 18.373
17 HA CYS 4 HA CYS 4 21.702 25.938 19.483
18 HB2 CYS 4 HB2 CYS 4 21.391 27.789 17.828
19 HB3 CYS 4 HB3 CYS 4 20.807 28.811 19.141
20 H GLN 5 H GLN 5 22.827 26.589 21.371
21 HA GLN 5 HA GLN 5 21.446 27.899 23.603
22 HB2 GLN 5 HB2 GLN 5 22.720 25.141 23.857
23 HB3 GLN 5 HB3 GLN 5 22.155 26.118 25.200
24 HG2 GLN 5 HG2 GLN 5 20.318 25.038 23.024
25 HG3 GLN 5 HG3 GLN 5 20.703 24.201 24.509
26 HE21 GLN 5 HE21 GLN 5 17.860 25.670 25.980
27 HE22 GLN 5 HE22 GLN 5 18.756 24.199 25.558
28 H PHE 6 H PHE 6 22.907 28.827 25.081
29 HA PHE 6 HA PHE 6 25.448 29.633 23.986
30 HB2 PHE 6 HB2 PHE 6 24.366 29.976 26.810
31 HB3 PHE 6 HB3 PHE 6 25.671 30.895 26.070
32 HD1 PHE 6 HD1 PHE 6 25.044 32.308 23.935
33 HD2 PHE 6 HD2 PHE 6 22.169 30.787 26.761
34 HE1 PHE 6 HE1 PHE 6 23.418 34.038 23.223
35 HE2 PHE 6 HE2 PHE 6 20.542 32.507 26.018
36 HZ PHE 6 HZ PHE 6 21.164 34.149 24.259
37 H TRP 7 H TRP 7 24.589 27.696 26.821
38 HA TRP 7 HA TRP 7 27.121 26.130 26.753
39 HB2 TRP 7 HB2 TRP 7 27.242 26.727 29.339
40 HB3 TRP 7 HB3 TRP 7 28.059 27.650 28.091
41 HD1 TRP 7 HD1 TRP 7 27.712 30.136 28.106
42 HE1 TRP 7 HE1 TRP 7 25.992 31.810 28.980
43 HE3 TRP 7 HE3 TRP 7 24.415 26.821 30.216
44 HZ2 TRP 7 HZ2 TRP 7 23.440 31.708 30.367
45 HZ3 TRP 7 HZ3 TRP 7 22.334 27.636 31.276
46 HH2 TRP 7 HH2 TRP 7 21.827 30.073 31.355
47 H SER 8 H SER 8 23.753 26.212 27.417
48 HA SER 8 HA SER 8 23.566 24.012 29.238
49 HB2 SER 8 HB2 SER 8 21.537 24.951 27.185
50 HB3 SER 8 HB3 SER 8 21.218 23.904 28.573
51 HG SER 8 HG SER 8 21.206 25.581 29.849
52 H CYS 9 H CYS 9 24.807 23.908 26.124
53 HA CYS 9 HA CYS 9 23.964 21.116 25.550
54 HB2 CYS 9 HB2 CYS 9 25.587 23.179 24.068
55 HB3 CYS 9 HB3 CYS 9 25.707 21.486 23.697
56 H ASN 10 H ASN 10 26.634 22.814 27.186
57 HA ASN 10 HA ASN 10 28.642 20.928 26.647
58 HB2 ASN 10 HB2 ASN 10 28.226 22.675 29.098
59 HB3 ASN 10 HB3 ASN 10 29.679 21.706 28.817
60 HD21 ASN 10 HD21 ASN 10 30.128 25.205 27.480
61 HD22 ASN 10 HD22 ASN 10 29.502 24.630 29.032
62 H SER 11 H SER 11 26.377 20.845 29.438
63 HA SER 11 HA SER 11 27.377 18.427 30.536
64 HB2 SER 11 HB2 SER 11 24.550 19.532 30.685
65 HB3 SER 11 HB3 SER 11 25.263 18.312 31.760
66 HG SER 11 HG SER 11 25.928 21.051 31.469
67 H SER 12 H SER 12 24.899 18.843 27.957
68 HA SER 12 HA SER 12 24.216 16.015 27.899
69 HB2 SER 12 HB2 SER 12 23.040 16.621 25.782
70 HB3 SER 12 HB3 SER 12 22.549 17.547 27.214
71 HG SER 12 HG SER 12 22.815 18.980 25.542
72 H CYS 13 H CYS 13 26.344 18.141 25.868
73 HA CYS 13 HA CYS 13 27.422 16.115 24.201
74 HB2 CYS 13 HB2 CYS 13 28.679 18.615 25.396
75 HB3 CYS 13 HB3 CYS 13 29.498 17.565 24.245
76 H ILE 14 H ILE 14 28.576 17.168 27.457
77 HA ILE 14 HA ILE 14 30.705 15.323 27.709
78 HB ILE 14 HB ILE 14 28.980 16.823 29.696
79 HG12 ILE 14 HG12 ILE 14 31.936 17.147 29.017
80 HG13 ILE 14 HG13 ILE 14 30.701 17.954 28.086
81 HG21 ILE 14 HG21 ILE 14 31.394 15.077 30.315
82 HG22 ILE 14 HG22 ILE 14 30.682 16.247 31.438
83 HG23 ILE 14 HG23 ILE 14 29.737 14.856 30.928
84 HD11 ILE 14 HD11 ILE 14 29.887 19.114 30.147
85 HD12 ILE 14 HD12 ILE 14 31.224 18.381 31.050
86 HD13 ILE 14 HD13 ILE 14 31.568 19.493 29.718
87 H SER 15 H SER 15 27.214 14.819 28.394
88 HA SER 15 HA SER 15 27.636 12.208 29.480
89 HB2 SER 15 HB2 SER 15 25.320 11.846 29.307
90 HB3 SER 15 HB3 SER 15 25.462 13.589 29.560
91 HG SER 15 HG SER 15 25.198 13.865 27.290
92 H ARG 16 H ARG 16 27.454 13.252 26.098
93 HA ARG 16 HA ARG 16 27.732 10.529 25.038
94 HB2 ARG 16 HB2 ARG 16 28.144 13.201 23.652
95 HB3 ARG 16 HB3 ARG 16 27.934 11.628 22.887
96 HG2 ARG 16 HG2 ARG 16 25.845 13.292 24.337
97 HG3 ARG 16 HG3 ARG 16 25.931 12.868 22.652
98 HD2 ARG 16 HD2 ARG 16 24.388 11.310 23.200
99 HD3 ARG 16 HD3 ARG 16 25.787 10.348 23.691
100 HE ARG 16 HE ARG 16 24.934 12.043 25.858
101 HH11 ARG 16 HH11 ARG 16 23.826 9.055 24.346
102 HH12 ARG 16 HH12 ARG 16 22.675 8.786 25.653
103 HH21 ARG 16 HH21 ARG 16 23.681 11.504 27.471
104 HH22 ARG 16 HH22 ARG 16 22.828 9.957 27.473
105 H GLY 17 H GLY 17 29.835 12.153 26.876
106 HA2 GLY 17 HA2 GLY 17 31.980 11.430 27.393
107 HA3 GLY 17 HA3 GLY 17 32.113 10.616 25.839
108 H TYR 18 H TYR 18 31.068 13.814 25.331
109 HA TYR 18 HA TYR 18 33.672 14.548 24.174
110 HB2 TYR 18 HB2 TYR 18 30.959 15.883 24.227
111 HB3 TYR 18 HB3 TYR 18 32.347 16.602 23.466
112 HD1 TYR 18 HD1 TYR 18 33.644 14.983 21.738
113 HD2 TYR 18 HD2 TYR 18 29.471 14.794 22.772
114 HE1 TYR 18 HE1 TYR 18 33.154 13.916 19.539
115 HE2 TYR 18 HE2 TYR 18 28.971 13.756 20.550
116 HH TYR 18 HH TYR 18 31.506 13.097 18.119
117 H ARG 19 H ARG 19 34.309 16.876 24.445
118 HA ARG 19 HA ARG 19 34.897 17.337 27.354
119 HB2 ARG 19 HB2 ARG 19 36.183 18.306 24.761
120 HB3 ARG 19 HB3 ARG 19 36.626 18.905 26.346
121 HG2 ARG 19 HG2 ARG 19 38.214 17.248 25.571
122 HG3 ARG 19 HG3 ARG 19 37.443 16.802 27.083
123 HD2 ARG 19 HD2 ARG 19 37.780 14.890 25.634
124 HD3 ARG 19 HD3 ARG 19 36.069 15.139 25.984
125 HE ARG 19 HE ARG 19 36.329 16.432 23.574
126 HH11 ARG 19 HH11 ARG 19 37.211 13.134 24.517
127 HH12 ARG 19 HH12 ARG 19 37.084 12.583 22.863
128 HH21 ARG 19 HH21 ARG 19 36.412 15.707 21.591
129 HH22 ARG 19 HH22 ARG 19 36.690 14.014 21.209
130 H GLN 20 H GLN 20 33.626 19.067 24.523
131 HA GLN 20 HA GLN 20 32.151 20.974 26.215
132 HB2 GLN 20 HB2 GLN 20 34.560 21.830 26.028
133 HB3 GLN 20 HB3 GLN 20 34.303 21.879 24.282
134 HG2 GLN 20 HG2 GLN 20 32.213 23.423 24.991
135 HG3 GLN 20 HG3 GLN 20 33.165 23.641 26.445
136 HE21 GLN 20 HE21 GLN 20 33.932 26.372 24.015
137 HE22 GLN 20 HE22 GLN 20 32.489 25.748 24.800
138 H GLY 21 H GLY 21 30.400 21.869 25.084
139 HA2 GLY 21 HA2 GLY 21 30.167 21.374 22.179
140 HA3 GLY 21 HA3 GLY 21 28.800 21.531 23.245
141 H LYS 22 H LYS 22 29.502 22.964 20.802
142 HA LYS 22 HA LYS 22 29.435 25.795 21.712
143 HB2 LYS 22 HB2 LYS 22 31.223 24.639 19.551
144 HB3 LYS 22 HB3 LYS 22 30.843 26.355 19.711
145 HG2 LYS 22 HG2 LYS 22 31.633 26.193 22.155
146 HG3 LYS 22 HG3 LYS 22 32.315 24.616 21.730
147 HD2 LYS 22 HD2 LYS 22 32.967 27.245 20.343
148 HD3 LYS 22 HD3 LYS 22 33.942 26.519 21.634
149 HE2 LYS 22 HE2 LYS 22 34.429 24.571 20.295
150 HE3 LYS 22 HE3 LYS 22 33.304 25.102 19.033
151 HZ1 LYS 22 HZ1 LYS 22 35.728 26.673 19.788
152 HZ2 LYS 22 HZ2 LYS 22 35.699 25.604 18.551
153 HZ3 LYS 22 HZ3 LYS 22 34.730 26.928 18.517
154 H CYS 23 H CYS 23 28.379 27.230 20.395
155 HA CYS 23 HA CYS 23 27.146 26.410 17.881
156 HB2 CYS 23 HB2 CYS 23 25.499 25.564 19.484
157 HB3 CYS 23 HB3 CYS 23 25.425 27.140 20.277
158 H TRP 24 H TRP 24 26.984 28.119 16.525
159 HA TRP 24 HA TRP 24 26.635 30.883 17.431
160 HB2 TRP 24 HB2 TRP 24 28.744 31.755 16.609
161 HB3 TRP 24 HB3 TRP 24 29.040 30.596 17.885
162 HD1 TRP 24 HD1 TRP 24 30.195 28.306 17.218
163 HE1 TRP 24 HE1 TRP 24 31.509 27.502 15.185
164 HE3 TRP 24 HE3 TRP 24 29.082 32.117 13.986
165 HZ2 TRP 24 HZ2 TRP 24 32.036 28.404 12.484
166 HZ3 TRP 24 HZ3 TRP 24 30.004 32.114 11.677
167 HH2 TRP 24 HH2 TRP 24 31.481 30.268 10.921
168 H GLY 25 H GLY 25 26.568 28.531 14.896
169 HA2 GLY 25 HA2 GLY 25 25.925 30.608 12.839
170 HA3 GLY 25 HA3 GLY 25 26.592 29.016 12.497
171 H ILE 26 H ILE 26 23.829 30.805 12.511
172 HA ILE 26 HA ILE 26 21.623 30.496 12.316
173 HB ILE 26 HB ILE 26 22.257 27.599 11.707
174 HG12 ILE 26 HG12 ILE 26 21.678 29.958 9.852
175 HG13 ILE 26 HG13 ILE 26 23.272 29.275 10.153
176 HG21 ILE 26 HG21 ILE 26 19.689 29.174 11.256
177 HG22 ILE 26 HG22 ILE 26 19.999 27.512 10.719
178 HG23 ILE 26 HG23 ILE 26 19.910 27.845 12.430
179 HD11 ILE 26 HD11 ILE 26 22.467 27.078 9.242
180 HD12 ILE 26 HD12 ILE 26 20.965 27.897 8.735
181 HD13 ILE 26 HD13 ILE 26 22.528 28.404 8.073
182 H GLN 27 H GLN 27 20.639 31.009 14.138
183 HA GLN 27 HA GLN 27 20.843 29.643 16.617
184 HB2 GLN 27 HB2 GLN 27 20.162 31.996 16.328
185 HB3 GLN 27 HB3 GLN 27 18.645 31.474 15.581
186 HG2 GLN 27 HG2 GLN 27 17.982 30.344 17.709
187 HG3 GLN 27 HG3 GLN 27 19.501 30.869 18.442
188 HE21 GLN 27 HE21 GLN 27 18.374 34.246 18.901
189 HE22 GLN 27 HE22 GLN 27 19.841 33.331 18.585
190 H TYR 28 H TYR 28 18.566 29.171 13.962
191 HA TYR 28 HA TYR 28 16.721 27.477 15.360
192 HB2 TYR 28 HB2 TYR 28 17.007 27.666 12.358
193 HB3 TYR 28 HB3 TYR 28 15.546 27.413 13.310
194 HD1 TYR 28 HD1 TYR 28 17.478 29.804 11.520
195 HD2 TYR 28 HD2 TYR 28 14.921 29.414 14.978
196 HE1 TYR 28 HE1 TYR 28 17.236 32.275 11.618
197 HE2 TYR 28 HE2 TYR 28 14.658 31.894 15.047
198 HH TYR 28 HH TYR 28 16.526 34.045 12.912
199 H LYS 29 H LYS 29 19.589 26.532 15.279
200 HA LYS 29 HA LYS 29 19.170 23.722 14.456
201 HB2 LYS 29 HB2 LYS 29 20.134 24.785 12.488
202 HB3 LYS 29 HB3 LYS 29 21.398 25.539 13.454
203 HG2 LYS 29 HG2 LYS 29 22.407 23.364 13.932
204 HG3 LYS 29 HG3 LYS 29 21.047 22.516 13.180
205 HD2 LYS 29 HD2 LYS 29 23.025 22.548 11.715
206 HD3 LYS 29 HD3 LYS 29 21.651 23.379 10.993
207 HE2 LYS 29 HE2 LYS 29 23.645 24.616 10.517
208 HE3 LYS 29 HE3 LYS 29 22.646 25.578 11.601
209 HZ1 LYS 29 HZ1 LYS 29 24.934 23.919 12.498
210 HZ2 LYS 29 HZ2 LYS 29 25.048 25.516 12.125
211 HZ3 LYS 29 HZ3 LYS 29 24.128 25.039 13.409
212 H TYR 30 H TYR 30 20.149 22.298 15.741
213 HA TYR 30 HA TYR 30 20.999 23.037 18.323
214 HB2 TYR 30 HB2 TYR 30 19.860 20.930 17.582
215 HB3 TYR 30 HB3 TYR 30 21.383 20.387 16.903
216 HD1 TYR 30 HD1 TYR 30 22.684 18.961 18.254
217 HD2 TYR 30 HD2 TYR 30 19.941 21.701 20.144
218 HE1 TYR 30 HE1 TYR 30 23.164 17.932 20.459
219 HE2 TYR 30 HE2 TYR 30 20.426 20.671 22.350
220 HH TYR 30 HH TYR 30 21.836 19.204 23.500
221 H CYS 31 H CYS 31 22.940 22.324 19.436
222 HA CYS 31 HA CYS 31 25.340 23.556 18.369
223 HB2 CYS 31 HB2 CYS 31 26.155 22.947 20.658
224 HB3 CYS 31 HB3 CYS 31 24.632 23.793 20.685
225 H GLN 32 H GLN 32 27.468 22.523 18.538
226 HA GLN 32 HA GLN 32 27.500 19.561 18.018
227 HB2 GLN 32 HB2 GLN 32 29.375 19.812 16.540
228 HB3 GLN 32 HB3 GLN 32 28.019 20.723 15.908
229 HG2 GLN 32 HG2 GLN 32 28.989 22.813 16.387
230 HG3 GLN 32 HG3 GLN 32 30.092 22.163 17.585
231 HE21 GLN 32 HE21 GLN 32 31.702 22.837 14.120
232 HE22 GLN 32 HE22 GLN 32 30.464 23.742 14.980
233 H CYS 33 H CYS 33 29.638 18.536 18.652
234 HA CYS 33 HA CYS 33 30.881 20.015 20.938
235 HB2 CYS 33 HB2 CYS 33 30.668 17.110 21.248
236 HB3 CYS 33 HB3 CYS 33 30.549 18.412 22.442
237 H GLN 34 H GLN 34 32.835 19.189 21.775
238 HA GLN 34 HA GLN 34 34.732 18.119 19.713
239 HB2 GLN 34 HB2 GLN 34 35.132 20.575 21.474
240 HB3 GLN 34 HB3 GLN 34 36.327 19.852 20.385
241 HG2 GLN 34 HG2 GLN 34 34.761 20.279 18.458
242 HG3 GLN 34 HG3 GLN 34 33.726 21.189 19.571
243 HE21 GLN 34 HE21 GLN 34 37.106 23.320 19.608
244 HE22 GLN 34 HE22 GLN 34 36.852 21.936 20.661
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 14.860 15.505 16.475
2 H2 GLY 1 H2 GLY 1 14.549 17.075 16.854
3 H3 GLY 1 H3 GLY 1 14.112 15.869 17.889
4 HA2 GLY 1 HA2 GLY 1 16.424 15.308 18.285
5 HA3 GLY 1 HA3 GLY 1 16.877 16.638 17.196
6 H SER 2 H SER 2 17.791 16.511 19.848
7 HA SER 2 HA SER 2 16.227 18.216 21.600
8 HB2 SER 2 HB2 SER 2 19.172 17.470 21.601
9 HB3 SER 2 HB3 SER 2 18.402 18.434 22.856
10 HG SER 2 HG SER 2 17.062 16.740 23.362
11 H ALA 3 H ALA 3 16.585 20.314 22.253
12 HA ALA 3 HA ALA 3 16.960 22.132 20.025
13 HB1 ALA 3 HB1 ALA 3 16.107 22.631 22.914
14 HB2 ALA 3 HB2 ALA 3 15.958 23.766 21.561
15 HB3 ALA 3 HB3 ALA 3 15.030 22.258 21.550
16 H CYS 4 H CYS 4 18.394 23.661 19.716
17 HA CYS 4 HA CYS 4 20.980 23.783 20.800
18 HB2 CYS 4 HB2 CYS 4 20.396 24.493 18.579
19 HB3 CYS 4 HB3 CYS 4 19.242 25.666 19.202
20 H GLN 5 H GLN 5 21.716 24.544 22.671
21 HA GLN 5 HA GLN 5 20.396 26.839 24.072
22 HB2 GLN 5 HB2 GLN 5 22.171 24.674 25.246
23 HB3 GLN 5 HB3 GLN 5 21.368 25.963 26.128
24 HG2 GLN 5 HG2 GLN 5 20.016 23.639 24.698
25 HG3 GLN 5 HG3 GLN 5 20.266 23.782 26.427
26 HE21 GLN 5 HE21 GLN 5 16.729 24.698 25.640
27 HE22 GLN 5 HE22 GLN 5 17.749 23.285 25.369
28 H PHE 6 H PHE 6 21.819 28.399 25.104
29 HA PHE 6 HA PHE 6 23.960 29.291 23.513
30 HB2 PHE 6 HB2 PHE 6 22.597 30.638 25.120
31 HB3 PHE 6 HB3 PHE 6 23.428 29.891 26.455
32 HD1 PHE 6 HD1 PHE 6 25.021 31.271 27.456
33 HD2 PHE 6 HD2 PHE 6 24.455 31.574 23.198
34 HE1 PHE 6 HE1 PHE 6 26.860 32.922 27.336
35 HE2 PHE 6 HE2 PHE 6 26.265 33.274 23.099
36 HZ PHE 6 HZ PHE 6 27.483 33.933 25.151
37 H TRP 7 H TRP 7 24.250 27.846 26.754
38 HA TRP 7 HA TRP 7 26.883 26.641 25.930
39 HB2 TRP 7 HB2 TRP 7 28.077 27.338 27.768
40 HB3 TRP 7 HB3 TRP 7 27.264 28.786 27.233
41 HD1 TRP 7 HD1 TRP 7 25.656 29.941 28.930
42 HE1 TRP 7 HE1 TRP 7 25.024 29.603 31.373
43 HE3 TRP 7 HE3 TRP 7 27.842 25.359 29.704
44 HZ2 TRP 7 HZ2 TRP 7 25.476 27.654 33.441
45 HZ3 TRP 7 HZ3 TRP 7 27.696 24.286 31.938
46 HH2 TRP 7 HH2 TRP 7 26.528 25.422 33.809
47 H SER 8 H SER 8 23.941 26.266 27.718
48 HA SER 8 HA SER 8 24.620 24.050 29.342
49 HB2 SER 8 HB2 SER 8 22.563 25.359 29.497
50 HB3 SER 8 HB3 SER 8 21.991 24.733 27.983
51 HG SER 8 HG SER 8 21.217 23.719 29.985
52 H CYS 9 H CYS 9 24.368 24.059 25.838
53 HA CYS 9 HA CYS 9 23.921 21.211 25.476
54 HB2 CYS 9 HB2 CYS 9 24.887 23.493 23.784
55 HB3 CYS 9 HB3 CYS 9 25.326 21.854 23.302
56 H ASN 10 H ASN 10 26.866 23.127 26.241
57 HA ASN 10 HA ASN 10 28.781 21.075 25.928
58 HB2 ASN 10 HB2 ASN 10 28.580 23.247 28.065
59 HB3 ASN 10 HB3 ASN 10 29.973 22.203 27.845
60 HD21 ASN 10 HD21 ASN 10 29.754 25.451 25.612
61 HD22 ASN 10 HD22 ASN 10 28.588 25.116 26.895
62 H SER 11 H SER 11 26.551 21.561 28.775
63 HA SER 11 HA SER 11 27.543 19.388 30.317
64 HB2 SER 11 HB2 SER 11 24.651 20.289 30.183
65 HB3 SER 11 HB3 SER 11 25.478 19.518 31.542
66 HG SER 11 HG SER 11 26.797 21.407 31.690
67 H SER 12 H SER 12 25.099 19.449 27.709
68 HA SER 12 HA SER 12 24.371 16.672 27.863
69 HB2 SER 12 HB2 SER 12 24.365 18.506 25.417
70 HB3 SER 12 HB3 SER 12 23.483 16.969 25.603
71 HG SER 12 HG SER 12 22.261 18.906 25.969
72 H CYS 13 H CYS 13 26.745 18.395 25.738
73 HA CYS 13 HA CYS 13 27.711 16.099 24.423
74 HB2 CYS 13 HB2 CYS 13 29.134 18.702 25.122
75 HB3 CYS 13 HB3 CYS 13 29.720 17.509 23.963
76 H ILE 14 H ILE 14 28.931 17.631 27.448
77 HA ILE 14 HA ILE 14 31.080 15.870 27.994
78 HB ILE 14 HB ILE 14 29.184 17.466 29.751
79 HG12 ILE 14 HG12 ILE 14 32.162 17.883 29.181
80 HG13 ILE 14 HG13 ILE 14 30.916 18.574 28.175
81 HG21 ILE 14 HG21 ILE 14 30.008 15.596 31.145
82 HG22 ILE 14 HG22 ILE 14 31.684 15.970 30.683
83 HG23 ILE 14 HG23 ILE 14 30.727 17.115 31.638
84 HD11 ILE 14 HD11 ILE 14 31.574 20.277 29.704
85 HD12 ILE 14 HD12 ILE 14 29.955 19.749 30.192
86 HD13 ILE 14 HD13 ILE 14 31.387 19.211 31.104
87 H SER 15 H SER 15 27.593 15.539 28.729
88 HA SER 15 HA SER 15 27.920 12.944 29.949
89 HB2 SER 15 HB2 SER 15 25.372 14.250 28.920
90 HB3 SER 15 HB3 SER 15 25.497 12.882 30.044
91 HG SER 15 HG SER 15 26.141 15.604 30.432
92 H ARG 16 H ARG 16 27.199 13.891 26.544
93 HA ARG 16 HA ARG 16 26.923 11.166 25.608
94 HB2 ARG 16 HB2 ARG 16 27.936 13.642 24.195
95 HB3 ARG 16 HB3 ARG 16 27.477 12.130 23.405
96 HG2 ARG 16 HG2 ARG 16 25.725 14.278 24.594
97 HG3 ARG 16 HG3 ARG 16 25.804 13.670 22.984
98 HD2 ARG 16 HD2 ARG 16 23.870 12.653 23.649
99 HD3 ARG 16 HD3 ARG 16 25.006 11.390 24.111
100 HE ARG 16 HE ARG 16 24.012 13.548 25.974
101 HH11 ARG 16 HH11 ARG 16 24.674 10.057 25.641
102 HH12 ARG 16 HH12 ARG 16 24.248 9.807 27.316
103 HH21 ARG 16 HH21 ARG 16 23.197 13.057 27.797
104 HH22 ARG 16 HH22 ARG 16 23.326 11.454 28.513
105 H GLY 17 H GLY 17 29.636 12.811 26.837
106 HA2 GLY 17 HA2 GLY 17 31.538 11.445 27.483
107 HA3 GLY 17 HA3 GLY 17 31.495 10.648 25.919
108 H TYR 18 H TYR 18 31.020 13.940 25.387
109 HA TYR 18 HA TYR 18 33.711 14.261 24.228
110 HB2 TYR 18 HB2 TYR 18 31.274 16.054 24.216
111 HB3 TYR 18 HB3 TYR 18 32.660 16.271 23.209
112 HD1 TYR 18 HD1 TYR 18 29.390 15.031 23.280
113 HD2 TYR 18 HD2 TYR 18 33.293 14.101 21.681
114 HE1 TYR 18 HE1 TYR 18 28.323 13.730 21.451
115 HE2 TYR 18 HE2 TYR 18 32.211 12.743 19.886
116 HH TYR 18 HH TYR 18 30.140 11.695 19.268
117 H ARG 19 H ARG 19 34.349 16.811 24.346
118 HA ARG 19 HA ARG 19 34.573 17.586 27.243
119 HB2 ARG 19 HB2 ARG 19 36.073 18.484 24.757
120 HB3 ARG 19 HB3 ARG 19 36.228 19.291 26.300
121 HG2 ARG 19 HG2 ARG 19 36.711 16.321 26.098
122 HG3 ARG 19 HG3 ARG 19 37.950 17.458 25.559
123 HD2 ARG 19 HD2 ARG 19 38.472 16.823 27.811
124 HD3 ARG 19 HD3 ARG 19 37.989 18.513 27.775
125 HE ARG 19 HE ARG 19 36.309 18.057 29.251
126 HH11 ARG 19 HH11 ARG 19 37.064 14.937 27.755
127 HH12 ARG 19 HH12 ARG 19 35.976 14.097 28.823
128 HH21 ARG 19 HH21 ARG 19 35.036 16.924 30.559
129 HH22 ARG 19 HH22 ARG 19 35.015 15.160 30.492
130 H GLN 20 H GLN 20 33.689 19.039 24.082
131 HA GLN 20 HA GLN 20 31.718 20.801 25.466
132 HB2 GLN 20 HB2 GLN 20 34.110 21.781 23.847
133 HB3 GLN 20 HB3 GLN 20 32.705 22.755 24.182
134 HG2 GLN 20 HG2 GLN 20 33.135 22.429 26.650
135 HG3 GLN 20 HG3 GLN 20 34.708 21.717 26.216
136 HE21 GLN 20 HE21 GLN 20 34.635 25.626 26.516
137 HE22 GLN 20 HE22 GLN 20 33.792 24.433 27.519
138 H GLY 21 H GLY 21 30.221 21.776 24.089
139 HA2 GLY 21 HA2 GLY 21 30.414 21.393 21.187
140 HA3 GLY 21 HA3 GLY 21 28.955 20.752 21.943
141 H LYS 22 H LYS 22 29.769 23.164 20.141
142 HA LYS 22 HA LYS 22 27.990 25.119 21.516
143 HB2 LYS 22 HB2 LYS 22 30.633 25.776 20.187
144 HB3 LYS 22 HB3 LYS 22 29.376 26.947 20.560
145 HG2 LYS 22 HG2 LYS 22 30.598 27.206 22.456
146 HG3 LYS 22 HG3 LYS 22 29.485 25.974 23.008
147 HD2 LYS 22 HD2 LYS 22 31.648 25.376 23.818
148 HD3 LYS 22 HD3 LYS 22 31.325 24.249 22.499
149 HE2 LYS 22 HE2 LYS 22 32.602 25.765 20.961
150 HE3 LYS 22 HE3 LYS 22 32.999 26.793 22.345
151 HZ1 LYS 22 HZ1 LYS 22 33.774 23.941 22.040
152 HZ2 LYS 22 HZ2 LYS 22 34.755 25.221 21.786
153 HZ3 LYS 22 HZ3 LYS 22 34.233 24.902 23.307
154 H CYS 23 H CYS 23 26.391 25.837 20.381
155 HA CYS 23 HA CYS 23 25.722 24.558 17.878
156 HB2 CYS 23 HB2 CYS 23 24.179 24.835 19.744
157 HB3 CYS 23 HB3 CYS 23 24.376 26.576 19.701
158 H TRP 24 H TRP 24 26.792 27.865 18.649
159 HA TRP 24 HA TRP 24 25.530 29.194 16.556
160 HB2 TRP 24 HB2 TRP 24 26.940 31.046 17.065
161 HB3 TRP 24 HB3 TRP 24 26.554 30.222 18.558
162 HD1 TRP 24 HD1 TRP 24 28.555 29.354 19.994
163 HE1 TRP 24 HE1 TRP 24 31.115 29.412 19.813
164 HE3 TRP 24 HE3 TRP 24 29.000 31.121 15.196
165 HZ2 TRP 24 HZ2 TRP 24 33.087 30.065 17.833
166 HZ3 TRP 24 HZ3 TRP 24 31.252 31.369 14.171
167 HH2 TRP 24 HH2 TRP 24 33.284 30.821 15.466
168 H GLY 25 H GLY 25 28.455 27.274 16.154
169 HA2 GLY 25 HA2 GLY 25 29.519 28.762 13.919
170 HA3 GLY 25 HA3 GLY 25 30.048 27.184 14.496
171 H ILE 26 H ILE 26 27.189 26.149 14.062
172 HA ILE 26 HA ILE 26 27.443 25.584 11.172
173 HB ILE 26 HB ILE 26 27.482 23.658 12.499
174 HG12 ILE 26 HG12 ILE 26 24.653 23.476 11.488
175 HG13 ILE 26 HG13 ILE 26 25.934 23.842 10.332
176 HG21 ILE 26 HG21 ILE 26 25.549 22.941 13.946
177 HG22 ILE 26 HG22 ILE 26 26.441 24.322 14.577
178 HG23 ILE 26 HG23 ILE 26 24.877 24.570 13.777
179 HD11 ILE 26 HD11 ILE 26 25.994 21.413 12.154
180 HD12 ILE 26 HD12 ILE 26 25.494 21.427 10.446
181 HD13 ILE 26 HD13 ILE 26 27.158 21.836 10.887
182 H GLN 27 H GLN 27 25.784 25.911 9.701
183 HA GLN 27 HA GLN 27 24.513 28.376 9.978
184 HB2 GLN 27 HB2 GLN 27 25.322 27.274 7.912
185 HB3 GLN 27 HB3 GLN 27 23.934 26.177 7.952
186 HG2 GLN 27 HG2 GLN 27 22.397 27.990 7.502
187 HG3 GLN 27 HG3 GLN 27 23.633 29.201 7.863
188 HE21 GLN 27 HE21 GLN 27 24.304 29.467 4.428
189 HE22 GLN 27 HE22 GLN 27 23.801 30.292 5.891
190 H TYR 28 H TYR 28 23.173 25.347 10.972
191 HA TYR 28 HA TYR 28 20.537 26.627 11.538
192 HB2 TYR 28 HB2 TYR 28 19.586 24.264 11.182
193 HB3 TYR 28 HB3 TYR 28 19.936 25.276 9.792
194 HD1 TYR 28 HD1 TYR 28 21.274 24.499 8.027
195 HD2 TYR 28 HD2 TYR 28 21.425 22.464 11.826
196 HE1 TYR 28 HE1 TYR 28 22.603 22.668 7.003
197 HE2 TYR 28 HE2 TYR 28 22.737 20.627 10.791
198 HH TYR 28 HH TYR 28 24.018 20.036 8.819
199 H LYS 29 H LYS 29 19.454 25.853 13.362
200 HA LYS 29 HA LYS 29 21.173 25.837 15.624
201 HB2 LYS 29 HB2 LYS 29 18.180 25.389 15.307
202 HB3 LYS 29 HB3 LYS 29 18.963 25.483 16.875
203 HG2 LYS 29 HG2 LYS 29 19.811 27.724 16.412
204 HG3 LYS 29 HG3 LYS 29 19.072 27.700 14.800
205 HD2 LYS 29 HD2 LYS 29 17.505 27.457 17.415
206 HD3 LYS 29 HD3 LYS 29 17.781 28.963 16.551
207 HE2 LYS 29 HE2 LYS 29 16.677 28.027 14.533
208 HE3 LYS 29 HE3 LYS 29 16.326 26.532 15.425
209 HZ1 LYS 29 HZ1 LYS 29 15.333 29.218 16.201
210 HZ2 LYS 29 HZ2 LYS 29 14.449 28.099 15.385
211 HZ3 LYS 29 HZ3 LYS 29 14.957 27.816 16.938
212 H TYR 30 H TYR 30 22.568 24.029 15.519
213 HA TYR 30 HA TYR 30 21.487 21.620 16.873
214 HB2 TYR 30 HB2 TYR 30 21.344 20.858 14.680
215 HB3 TYR 30 HB3 TYR 30 22.757 21.762 14.155
216 HD1 TYR 30 HD1 TYR 30 21.910 18.910 16.511
217 HD2 TYR 30 HD2 TYR 30 24.707 20.644 13.737
218 HE1 TYR 30 HE1 TYR 30 23.334 16.874 16.671
219 HE2 TYR 30 HE2 TYR 30 26.112 18.583 13.865
220 HH TYR 30 HH TYR 30 25.270 15.837 15.973
221 H CYS 31 H CYS 31 22.706 21.017 18.527
222 HA CYS 31 HA CYS 31 25.326 22.244 18.995
223 HB2 CYS 31 HB2 CYS 31 23.611 20.325 20.594
224 HB3 CYS 31 HB3 CYS 31 25.146 20.979 21.144
225 H GLN 32 H GLN 32 26.754 21.434 17.472
226 HA GLN 32 HA GLN 32 27.430 18.545 17.457
227 HB2 GLN 32 HB2 GLN 32 29.139 19.164 15.834
228 HB3 GLN 32 HB3 GLN 32 27.544 19.671 15.339
229 HG2 GLN 32 HG2 GLN 32 28.028 22.002 16.001
230 HG3 GLN 32 HG3 GLN 32 29.645 21.514 16.547
231 HE21 GLN 32 HE21 GLN 32 30.116 22.963 13.186
232 HE22 GLN 32 HE22 GLN 32 29.647 23.522 14.792
233 H CYS 33 H CYS 33 29.367 17.672 18.359
234 HA CYS 33 HA CYS 33 30.775 19.480 20.300
235 HB2 CYS 33 HB2 CYS 33 30.369 16.640 20.991
236 HB3 CYS 33 HB3 CYS 33 30.508 18.042 22.019
237 H GLN 34 H GLN 34 32.788 18.674 21.221
238 HA GLN 34 HA GLN 34 34.207 16.453 20.033
239 HB2 GLN 34 HB2 GLN 34 36.156 17.648 19.249
240 HB3 GLN 34 HB3 GLN 34 34.734 18.199 18.406
241 HG2 GLN 34 HG2 GLN 34 34.769 20.129 20.257
242 HG3 GLN 34 HG3 GLN 34 36.469 19.658 20.382
243 HE21 GLN 34 HE21 GLN 34 36.258 22.485 17.955
244 HE22 GLN 34 HE22 GLN 34 36.059 22.232 19.681
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 18.430 17.969 24.208
2 H2 GLY 1 H2 GLY 1 17.516 17.229 23.062
3 H3 GLY 1 H3 GLY 1 16.954 18.585 23.825
4 HA2 GLY 1 HA2 GLY 1 18.816 19.857 22.862
5 HA3 GLY 1 HA3 GLY 1 19.191 18.399 21.927
6 H SER 2 H SER 2 17.666 21.320 21.822
7 HA SER 2 HA SER 2 16.131 20.627 19.371
8 HB2 SER 2 HB2 SER 2 14.657 20.405 21.380
9 HB3 SER 2 HB3 SER 2 14.912 22.125 21.717
10 HG SER 2 HG SER 2 13.725 22.655 20.021
11 H ALA 3 H ALA 3 17.781 23.089 21.314
12 HA ALA 3 HA ALA 3 18.408 24.598 18.888
13 HB1 ALA 3 HB1 ALA 3 17.545 26.744 19.797
14 HB2 ALA 3 HB2 ALA 3 16.234 25.592 19.511
15 HB3 ALA 3 HB3 ALA 3 16.819 25.869 21.166
16 H CYS 4 H CYS 4 20.010 26.409 19.415
17 HA CYS 4 HA CYS 4 22.098 25.588 21.149
18 HB2 CYS 4 HB2 CYS 4 21.464 28.280 19.911
19 HB3 CYS 4 HB3 CYS 4 22.911 27.977 20.859
20 H GLN 5 H GLN 5 22.974 26.516 23.022
21 HA GLN 5 HA GLN 5 21.044 27.653 25.016
22 HB2 GLN 5 HB2 GLN 5 22.838 25.218 25.370
23 HB3 GLN 5 HB3 GLN 5 21.872 25.960 26.643
24 HG2 GLN 5 HG2 GLN 5 19.802 25.338 25.531
25 HG3 GLN 5 HG3 GLN 5 20.677 24.747 24.119
26 HE21 GLN 5 HE21 GLN 5 20.290 22.250 27.266
27 HE22 GLN 5 HE22 GLN 5 19.502 23.837 27.266
28 H PHE 6 H PHE 6 22.172 28.500 27.024
29 HA PHE 6 HA PHE 6 24.445 30.134 26.323
30 HB2 PHE 6 HB2 PHE 6 23.329 29.471 29.063
31 HB3 PHE 6 HB3 PHE 6 24.456 30.768 28.692
32 HD1 PHE 6 HD1 PHE 6 23.396 32.098 26.322
33 HD2 PHE 6 HD2 PHE 6 21.284 30.438 29.702
34 HE1 PHE 6 HE1 PHE 6 21.523 33.681 25.936
35 HE2 PHE 6 HE2 PHE 6 19.402 32.008 29.288
36 HZ PHE 6 HZ PHE 6 19.535 33.646 27.423
37 H TRP 7 H TRP 7 24.272 27.348 28.574
38 HA TRP 7 HA TRP 7 27.038 26.534 27.790
39 HB2 TRP 7 HB2 TRP 7 27.674 26.320 30.175
40 HB3 TRP 7 HB3 TRP 7 27.431 27.981 29.670
41 HD1 TRP 7 HD1 TRP 7 25.627 29.390 30.874
42 HE1 TRP 7 HE1 TRP 7 24.110 29.049 32.919
43 HE3 TRP 7 HE3 TRP 7 26.251 24.340 31.516
44 HZ2 TRP 7 HZ2 TRP 7 23.472 26.919 34.753
45 HZ3 TRP 7 HZ3 TRP 7 25.216 23.198 33.450
46 HH2 TRP 7 HH2 TRP 7 23.861 24.470 35.104
47 H SER 8 H SER 8 23.847 25.621 28.802
48 HA SER 8 HA SER 8 24.503 23.010 29.704
49 HB2 SER 8 HB2 SER 8 22.451 24.258 30.240
50 HB3 SER 8 HB3 SER 8 21.880 24.003 28.588
51 HG SER 8 HG SER 8 22.378 22.075 30.627
52 H CYS 9 H CYS 9 24.750 24.080 26.420
53 HA CYS 9 HA CYS 9 24.275 21.545 25.092
54 HB2 CYS 9 HB2 CYS 9 26.224 23.822 24.552
55 HB3 CYS 9 HB3 CYS 9 26.169 22.383 23.566
56 H ASN 10 H ASN 10 26.997 22.897 26.976
57 HA ASN 10 HA ASN 10 28.893 20.831 26.457
58 HB2 ASN 10 HB2 ASN 10 28.629 22.623 28.912
59 HB3 ASN 10 HB3 ASN 10 30.075 21.736 28.397
60 HD21 ASN 10 HD21 ASN 10 30.367 25.306 27.322
61 HD22 ASN 10 HD22 ASN 10 29.901 24.584 28.867
62 H SER 11 H SER 11 26.335 21.083 28.959
63 HA SER 11 HA SER 11 26.964 18.772 30.459
64 HB2 SER 11 HB2 SER 11 24.167 19.810 29.869
65 HB3 SER 11 HB3 SER 11 24.733 18.953 31.314
66 HG SER 11 HG SER 11 24.531 21.226 31.570
67 H SER 12 H SER 12 24.867 19.126 27.567
68 HA SER 12 HA SER 12 24.152 16.350 27.324
69 HB2 SER 12 HB2 SER 12 22.912 18.107 26.145
70 HB3 SER 12 HB3 SER 12 24.358 18.535 25.210
71 HG SER 12 HG SER 12 22.597 16.436 24.925
72 H CYS 13 H CYS 13 26.806 18.285 25.839
73 HA CYS 13 HA CYS 13 27.957 16.179 24.354
74 HB2 CYS 13 HB2 CYS 13 29.264 18.628 25.634
75 HB3 CYS 13 HB3 CYS 13 30.009 17.652 24.398
76 H ILE 14 H ILE 14 28.696 17.164 27.760
77 HA ILE 14 HA ILE 14 30.638 15.159 28.291
78 HB ILE 14 HB ILE 14 28.657 16.629 30.048
79 HG12 ILE 14 HG12 ILE 14 31.698 16.840 29.883
80 HG13 ILE 14 HG13 ILE 14 30.649 17.793 28.858
81 HG21 ILE 14 HG21 ILE 14 29.118 14.516 31.215
82 HG22 ILE 14 HG22 ILE 14 30.864 14.718 30.945
83 HG23 ILE 14 HG23 ILE 14 29.980 15.823 32.014
84 HD11 ILE 14 HD11 ILE 14 31.293 19.152 30.723
85 HD12 ILE 14 HD12 ILE 14 29.561 18.796 30.867
86 HD13 ILE 14 HD13 ILE 14 30.742 17.943 31.892
87 H SER 15 H SER 15 27.040 14.922 28.472
88 HA SER 15 HA SER 15 27.019 12.207 29.352
89 HB2 SER 15 HB2 SER 15 25.012 13.607 29.448
90 HB3 SER 15 HB3 SER 15 24.979 13.725 27.686
91 HG SER 15 HG SER 15 24.430 11.539 29.362
92 H ARG 16 H ARG 16 27.237 13.507 26.005
93 HA ARG 16 HA ARG 16 27.285 10.875 24.758
94 HB2 ARG 16 HB2 ARG 16 28.191 13.572 23.728
95 HB3 ARG 16 HB3 ARG 16 28.011 12.112 22.758
96 HG2 ARG 16 HG2 ARG 16 25.794 13.712 24.085
97 HG3 ARG 16 HG3 ARG 16 26.150 13.556 22.388
98 HD2 ARG 16 HD2 ARG 16 24.336 12.124 22.622
99 HD3 ARG 16 HD3 ARG 16 25.698 10.998 22.719
100 HE ARG 16 HE ARG 16 24.508 12.173 25.202
101 HH11 ARG 16 HH11 ARG 16 24.673 9.226 23.234
102 HH12 ARG 16 HH12 ARG 16 24.225 8.244 24.615
103 HH21 ARG 16 HH21 ARG 16 24.105 10.755 26.896
104 HH22 ARG 16 HH22 ARG 16 23.910 9.051 26.524
105 H GLY 17 H GLY 17 29.646 12.258 26.694
106 HA2 GLY 17 HA2 GLY 17 31.684 11.202 27.232
107 HA3 GLY 17 HA3 GLY 17 31.708 10.367 25.682
108 H TYR 18 H TYR 18 31.081 13.803 25.887
109 HA TYR 18 HA TYR 18 33.773 14.503 24.778
110 HB2 TYR 18 HB2 TYR 18 31.107 15.841 24.254
111 HB3 TYR 18 HB3 TYR 18 32.620 16.225 23.476
112 HD1 TYR 18 HD1 TYR 18 33.668 13.529 22.757
113 HD2 TYR 18 HD2 TYR 18 29.636 15.049 22.583
114 HE1 TYR 18 HE1 TYR 18 33.135 11.921 20.947
115 HE2 TYR 18 HE2 TYR 18 29.127 13.469 20.727
116 HH TYR 18 HH TYR 18 30.030 11.884 19.240
117 H ARG 19 H ARG 19 33.450 17.347 25.007
118 HA ARG 19 HA ARG 19 33.329 17.747 28.000
119 HB2 ARG 19 HB2 ARG 19 35.406 18.882 26.092
120 HB3 ARG 19 HB3 ARG 19 35.314 19.129 27.825
121 HG2 ARG 19 HG2 ARG 19 35.662 16.653 28.149
122 HG3 ARG 19 HG3 ARG 19 35.891 16.482 26.406
123 HD2 ARG 19 HD2 ARG 19 37.605 18.108 28.313
124 HD3 ARG 19 HD3 ARG 19 38.051 16.607 27.510
125 HE ARG 19 HE ARG 19 37.861 17.809 25.326
126 HH11 ARG 19 HH11 ARG 19 38.267 19.951 28.143
127 HH12 ARG 19 HH12 ARG 19 39.075 21.147 27.176
128 HH21 ARG 19 HH21 ARG 19 39.035 19.300 24.255
129 HH22 ARG 19 HH22 ARG 19 39.681 20.686 25.076
130 H GLN 20 H GLN 20 33.247 19.388 24.864
131 HA GLN 20 HA GLN 20 31.445 21.481 25.968
132 HB2 GLN 20 HB2 GLN 20 33.835 22.125 26.375
133 HB3 GLN 20 HB3 GLN 20 34.126 22.038 24.641
134 HG2 GLN 20 HG2 GLN 20 32.417 23.868 24.318
135 HG3 GLN 20 HG3 GLN 20 32.239 23.943 26.077
136 HE21 GLN 20 HE21 GLN 20 34.540 26.665 25.505
137 HE22 GLN 20 HE22 GLN 20 32.827 26.265 25.605
138 H GLY 21 H GLY 21 29.972 22.176 24.538
139 HA2 GLY 21 HA2 GLY 21 30.467 21.961 21.611
140 HA3 GLY 21 HA3 GLY 21 28.912 21.436 22.293
141 H LYS 22 H LYS 22 29.580 23.470 20.262
142 HA LYS 22 HA LYS 22 28.697 26.028 21.579
143 HB2 LYS 22 HB2 LYS 22 31.075 25.579 19.744
144 HB3 LYS 22 HB3 LYS 22 30.448 27.177 20.140
145 HG2 LYS 22 HG2 LYS 22 31.033 26.978 22.448
146 HG3 LYS 22 HG3 LYS 22 31.383 25.258 22.316
147 HD2 LYS 22 HD2 LYS 22 33.011 27.422 20.927
148 HD3 LYS 22 HD3 LYS 22 33.420 26.647 22.470
149 HE2 LYS 22 HE2 LYS 22 33.307 24.403 21.272
150 HE3 LYS 22 HE3 LYS 22 33.168 25.280 19.753
151 HZ1 LYS 22 HZ1 LYS 22 35.438 24.679 20.167
152 HZ2 LYS 22 HZ2 LYS 22 35.368 26.296 20.252
153 HZ3 LYS 22 HZ3 LYS 22 35.474 25.422 21.633
154 H CYS 23 H CYS 23 27.637 27.518 20.319
155 HA CYS 23 HA CYS 23 26.169 26.520 18.017
156 HB2 CYS 23 HB2 CYS 23 25.430 28.083 19.988
157 HB3 CYS 23 HB3 CYS 23 26.123 29.363 19.002
158 H TRP 24 H TRP 24 29.053 26.723 17.545
159 HA TRP 24 HA TRP 24 29.586 29.035 15.834
160 HB2 TRP 24 HB2 TRP 24 31.759 28.283 15.768
161 HB3 TRP 24 HB3 TRP 24 31.260 27.751 17.358
162 HD1 TRP 24 HD1 TRP 24 30.780 25.015 17.568
163 HE1 TRP 24 HE1 TRP 24 31.803 23.031 16.327
164 HE3 TRP 24 HE3 TRP 24 32.679 27.498 13.498
165 HZ2 TRP 24 HZ2 TRP 24 33.262 22.568 13.890
166 HZ3 TRP 24 HZ3 TRP 24 33.889 26.249 11.731
167 HH2 TRP 24 HH2 TRP 24 34.198 23.785 11.917
168 H GLY 25 H GLY 25 30.352 28.776 13.552
169 HA2 GLY 25 HA2 GLY 25 30.062 28.057 11.379
170 HA3 GLY 25 HA3 GLY 25 30.163 26.452 12.090
171 H ILE 26 H ILE 26 28.724 25.410 10.818
172 HA ILE 26 HA ILE 26 26.322 26.361 9.734
173 HB ILE 26 HB ILE 26 26.928 23.490 10.539
174 HG12 ILE 26 HG12 ILE 26 28.801 24.235 9.227
175 HG13 ILE 26 HG13 ILE 26 27.827 23.119 8.301
176 HG21 ILE 26 HG21 ILE 26 25.022 24.631 8.458
177 HG22 ILE 26 HG22 ILE 26 25.480 22.919 8.573
178 HG23 ILE 26 HG23 ILE 26 24.612 23.679 9.905
179 HD11 ILE 26 HD11 ILE 26 27.841 26.154 7.964
180 HD12 ILE 26 HD12 ILE 26 28.619 24.959 6.911
181 HD13 ILE 26 HD13 ILE 26 26.852 25.016 7.014
182 H GLN 27 H GLN 27 24.406 26.921 10.578
183 HA GLN 27 HA GLN 27 23.548 26.217 13.238
184 HB2 GLN 27 HB2 GLN 27 22.935 28.317 11.990
185 HB3 GLN 27 HB3 GLN 27 21.887 27.333 10.968
186 HG2 GLN 27 HG2 GLN 27 20.730 26.567 13.161
187 HG3 GLN 27 HG3 GLN 27 21.694 27.793 13.978
188 HE21 GLN 27 HE21 GLN 27 18.693 29.685 13.477
189 HE22 GLN 27 HE22 GLN 27 19.730 28.859 14.655
190 H TYR 28 H TYR 28 23.890 23.925 13.099
191 HA TYR 28 HA TYR 28 22.049 22.163 11.716
192 HB2 TYR 28 HB2 TYR 28 23.668 21.785 14.263
193 HB3 TYR 28 HB3 TYR 28 22.848 20.501 13.392
194 HD1 TYR 28 HD1 TYR 28 23.491 20.644 10.644
195 HD2 TYR 28 HD2 TYR 28 25.991 21.679 14.005
196 HE1 TYR 28 HE1 TYR 28 25.524 20.023 9.344
197 HE2 TYR 28 HE2 TYR 28 27.997 20.996 12.716
198 HH TYR 28 HH TYR 28 28.832 20.316 10.607
199 H LYS 29 H LYS 29 20.479 20.763 12.886
200 HA LYS 29 HA LYS 29 18.378 22.209 14.081
201 HB2 LYS 29 HB2 LYS 29 18.249 20.076 12.787
202 HB3 LYS 29 HB3 LYS 29 19.029 19.246 14.120
203 HG2 LYS 29 HG2 LYS 29 16.789 18.668 14.207
204 HG3 LYS 29 HG3 LYS 29 17.032 19.744 15.562
205 HD2 LYS 29 HD2 LYS 29 15.886 20.619 12.872
206 HD3 LYS 29 HD3 LYS 29 14.911 19.958 14.160
207 HE2 LYS 29 HE2 LYS 29 16.421 22.596 14.240
208 HE3 LYS 29 HE3 LYS 29 14.681 22.340 14.140
209 HZ1 LYS 29 HZ1 LYS 29 16.436 21.834 16.458
210 HZ2 LYS 29 HZ2 LYS 29 15.099 22.767 16.389
211 HZ3 LYS 29 HZ3 LYS 29 14.956 21.126 16.359
212 H TYR 30 H TYR 30 21.114 20.730 15.665
213 HA TYR 30 HA TYR 30 20.510 22.176 18.093
214 HB2 TYR 30 HB2 TYR 30 19.281 20.096 18.559
215 HB3 TYR 30 HB3 TYR 30 20.696 19.136 18.156
216 HD1 TYR 30 HD1 TYR 30 20.074 22.137 20.379
217 HD2 TYR 30 HD2 TYR 30 21.566 18.097 20.081
218 HE1 TYR 30 HE1 TYR 30 20.852 22.241 22.737
219 HE2 TYR 30 HE2 TYR 30 22.293 18.199 22.458
220 HH TYR 30 HH TYR 30 21.899 21.191 24.412
221 H CYS 31 H CYS 31 22.436 22.320 19.497
222 HA CYS 31 HA CYS 31 24.760 22.859 18.012
223 HB2 CYS 31 HB2 CYS 31 25.782 23.237 20.272
224 HB3 CYS 31 HB3 CYS 31 24.250 24.069 20.002
225 H GLN 32 H GLN 32 26.617 21.813 17.541
226 HA GLN 32 HA GLN 32 26.992 18.974 18.382
227 HB2 GLN 32 HB2 GLN 32 28.277 20.658 16.206
228 HB3 GLN 32 HB3 GLN 32 28.853 19.053 16.684
229 HG2 GLN 32 HG2 GLN 32 26.508 18.169 16.212
230 HG3 GLN 32 HG3 GLN 32 26.146 19.721 15.467
231 HE21 GLN 32 HE21 GLN 32 27.186 17.535 12.679
232 HE22 GLN 32 HE22 GLN 32 25.807 17.685 13.759
233 H CYS 33 H CYS 33 29.234 18.284 18.898
234 HA CYS 33 HA CYS 33 30.470 20.191 20.813
235 HB2 CYS 33 HB2 CYS 33 30.757 17.239 21.087
236 HB3 CYS 33 HB3 CYS 33 30.797 18.532 22.317
237 H GLN 34 H GLN 34 32.797 19.339 21.472
238 HA GLN 34 HA GLN 34 34.996 19.338 20.923
239 HB2 GLN 34 HB2 GLN 34 34.153 17.490 18.671
240 HB3 GLN 34 HB3 GLN 34 35.787 17.674 19.305
241 HG2 GLN 34 HG2 GLN 34 35.131 16.769 21.473
242 HG3 GLN 34 HG3 GLN 34 33.434 16.705 20.991
243 HE21 GLN 34 HE21 GLN 34 33.886 13.843 18.795
244 HE22 GLN 34 HE22 GLN 34 33.050 15.372 18.820
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 18.796 37.021 19.090
2 H2 GLY 1 H2 GLY 1 17.741 37.039 20.357
3 H3 GLY 1 H3 GLY 1 17.989 38.405 19.485
4 HA2 GLY 1 HA2 GLY 1 15.888 37.487 18.872
5 HA3 GLY 1 HA3 GLY 1 17.034 37.393 17.524
6 H SER 2 H SER 2 15.507 35.522 20.153
7 HA SER 2 HA SER 2 15.524 33.288 20.664
8 HB2 SER 2 HB2 SER 2 15.179 32.941 17.667
9 HB3 SER 2 HB3 SER 2 14.854 31.720 18.909
10 HG SER 2 HG SER 2 13.493 34.112 18.339
11 H ALA 3 H ALA 3 18.059 34.141 20.837
12 HA ALA 3 HA ALA 3 19.981 32.778 19.228
13 HB1 ALA 3 HB1 ALA 3 21.548 33.495 20.994
14 HB2 ALA 3 HB2 ALA 3 20.427 34.806 20.595
15 HB3 ALA 3 HB3 ALA 3 20.182 33.852 22.070
16 H CYS 4 H CYS 4 21.437 31.037 19.853
17 HA CYS 4 HA CYS 4 20.023 28.732 20.733
18 HB2 CYS 4 HB2 CYS 4 21.997 28.858 19.150
19 HB3 CYS 4 HB3 CYS 4 23.038 28.958 20.578
20 H GLN 5 H GLN 5 20.838 27.174 22.428
21 HA GLN 5 HA GLN 5 20.313 28.032 25.025
22 HB2 GLN 5 HB2 GLN 5 22.016 25.674 24.135
23 HB3 GLN 5 HB3 GLN 5 21.326 25.869 25.744
24 HG2 GLN 5 HG2 GLN 5 19.091 25.571 24.964
25 HG3 GLN 5 HG3 GLN 5 19.541 25.810 23.280
26 HE21 GLN 5 HE21 GLN 5 20.122 22.383 22.738
27 HE22 GLN 5 HE22 GLN 5 19.732 23.958 22.058
28 H PHE 6 H PHE 6 21.515 28.546 26.864
29 HA PHE 6 HA PHE 6 23.896 30.116 26.388
30 HB2 PHE 6 HB2 PHE 6 22.535 29.203 28.948
31 HB3 PHE 6 HB3 PHE 6 23.868 30.346 28.888
32 HD1 PHE 6 HD1 PHE 6 23.439 32.327 26.996
33 HD2 PHE 6 HD2 PHE 6 20.433 30.240 29.287
34 HE1 PHE 6 HE1 PHE 6 21.887 34.236 26.703
35 HE2 PHE 6 HE2 PHE 6 18.892 32.162 28.999
36 HZ PHE 6 HZ PHE 6 19.608 34.160 27.705
37 H TRP 7 H TRP 7 23.390 27.120 28.289
38 HA TRP 7 HA TRP 7 26.229 26.318 27.817
39 HB2 TRP 7 HB2 TRP 7 26.655 26.052 30.153
40 HB3 TRP 7 HB3 TRP 7 26.115 27.699 29.893
41 HD1 TRP 7 HD1 TRP 7 23.940 28.469 31.134
42 HE1 TRP 7 HE1 TRP 7 22.528 27.484 33.048
43 HE3 TRP 7 HE3 TRP 7 25.712 23.651 31.077
44 HZ2 TRP 7 HZ2 TRP 7 22.195 24.961 34.354
45 HZ3 TRP 7 HZ3 TRP 7 24.863 21.999 32.730
46 HH2 TRP 7 HH2 TRP 7 23.104 22.636 34.362
47 H SER 8 H SER 8 22.925 25.332 28.290
48 HA SER 8 HA SER 8 23.379 22.758 29.350
49 HB2 SER 8 HB2 SER 8 21.184 23.930 29.194
50 HB3 SER 8 HB3 SER 8 21.142 23.556 27.463
51 HG SER 8 HG SER 8 21.263 21.764 29.675
52 H CYS 9 H CYS 9 23.753 23.812 26.007
53 HA CYS 9 HA CYS 9 24.016 21.293 24.726
54 HB2 CYS 9 HB2 CYS 9 25.063 24.081 24.299
55 HB3 CYS 9 HB3 CYS 9 25.849 22.783 23.424
56 H ASN 10 H ASN 10 26.389 23.037 26.795
57 HA ASN 10 HA ASN 10 28.587 21.268 26.123
58 HB2 ASN 10 HB2 ASN 10 28.798 23.599 27.069
59 HB3 ASN 10 HB3 ASN 10 28.193 22.983 28.609
60 HD21 ASN 10 HD21 ASN 10 31.576 22.499 29.445
61 HD22 ASN 10 HD22 ASN 10 30.034 23.237 29.858
62 H SER 11 H SER 11 26.151 21.322 28.734
63 HA SER 11 HA SER 11 27.015 18.994 30.164
64 HB2 SER 11 HB2 SER 11 25.463 20.543 31.133
65 HB3 SER 11 HB3 SER 11 24.292 20.302 29.828
66 HG SER 11 HG SER 11 23.729 18.412 30.581
67 H SER 12 H SER 12 24.575 19.310 27.525
68 HA SER 12 HA SER 12 23.993 16.573 27.184
69 HB2 SER 12 HB2 SER 12 22.715 18.279 26.032
70 HB3 SER 12 HB3 SER 12 24.143 18.818 25.132
71 HG SER 12 HG SER 12 22.841 16.292 24.978
72 H CYS 13 H CYS 13 26.520 18.479 25.437
73 HA CYS 13 HA CYS 13 27.550 16.289 23.984
74 HB2 CYS 13 HB2 CYS 13 28.821 18.875 24.965
75 HB3 CYS 13 HB3 CYS 13 29.622 17.791 23.864
76 H ILE 14 H ILE 14 28.682 17.574 27.193
77 HA ILE 14 HA ILE 14 30.820 15.711 27.522
78 HB ILE 14 HB ILE 14 29.117 17.298 29.465
79 HG12 ILE 14 HG12 ILE 14 32.060 17.562 28.681
80 HG13 ILE 14 HG13 ILE 14 30.783 18.407 27.831
81 HG21 ILE 14 HG21 ILE 14 30.793 16.735 31.230
82 HG22 ILE 14 HG22 ILE 14 29.882 15.328 30.720
83 HG23 ILE 14 HG23 ILE 14 31.542 15.567 30.124
84 HD11 ILE 14 HD11 ILE 14 31.776 19.916 29.416
85 HD12 ILE 14 HD12 ILE 14 30.111 19.566 29.917
86 HD13 ILE 14 HD13 ILE 14 31.482 18.809 30.763
87 H SER 15 H SER 15 27.324 15.407 28.386
88 HA SER 15 HA SER 15 27.617 12.791 29.482
89 HB2 SER 15 HB2 SER 15 25.661 14.283 29.848
90 HB3 SER 15 HB3 SER 15 25.147 13.998 28.176
91 HG SER 15 HG SER 15 24.199 12.647 29.867
92 H ARG 16 H ARG 16 26.908 13.796 26.103
93 HA ARG 16 HA ARG 16 26.875 11.105 25.018
94 HB2 ARG 16 HB2 ARG 16 27.614 13.752 23.713
95 HB3 ARG 16 HB3 ARG 16 27.299 12.256 22.856
96 HG2 ARG 16 HG2 ARG 16 25.294 13.980 24.339
97 HG3 ARG 16 HG3 ARG 16 25.443 13.702 22.628
98 HD2 ARG 16 HD2 ARG 16 23.641 12.372 23.169
99 HD3 ARG 16 HD3 ARG 16 24.958 11.207 23.188
100 HE ARG 16 HE ARG 16 24.120 12.570 25.725
101 HH11 ARG 16 HH11 ARG 16 24.179 9.469 23.953
102 HH12 ARG 16 HH12 ARG 16 23.551 8.647 25.369
103 HH21 ARG 16 HH21 ARG 16 23.299 11.338 27.348
104 HH22 ARG 16 HH22 ARG 16 23.115 9.583 27.133
105 H GLY 17 H GLY 17 29.483 12.711 26.452
106 HA2 GLY 17 HA2 GLY 17 31.446 11.473 26.941
107 HA3 GLY 17 HA3 GLY 17 31.379 10.688 25.364
108 H TYR 18 H TYR 18 30.876 14.055 25.091
109 HA TYR 18 HA TYR 18 33.438 14.353 23.691
110 HB2 TYR 18 HB2 TYR 18 31.066 16.189 24.089
111 HB3 TYR 18 HB3 TYR 18 32.473 16.650 23.189
112 HD1 TYR 18 HD1 TYR 18 29.307 14.899 23.002
113 HD2 TYR 18 HD2 TYR 18 33.118 15.399 21.075
114 HE1 TYR 18 HE1 TYR 18 28.361 13.987 20.899
115 HE2 TYR 18 HE2 TYR 18 32.167 14.505 18.961
116 HH TYR 18 HH TYR 18 30.328 13.477 17.969
117 H ARG 19 H ARG 19 34.571 16.469 23.980
118 HA ARG 19 HA ARG 19 35.525 16.717 26.786
119 HB2 ARG 19 HB2 ARG 19 36.995 16.382 24.685
120 HB3 ARG 19 HB3 ARG 19 36.645 18.052 24.273
121 HG2 ARG 19 HG2 ARG 19 37.598 18.777 26.438
122 HG3 ARG 19 HG3 ARG 19 37.926 17.108 26.913
123 HD2 ARG 19 HD2 ARG 19 39.121 18.494 24.462
124 HD3 ARG 19 HD3 ARG 19 39.907 18.381 26.029
125 HE ARG 19 HE ARG 19 39.196 15.737 25.285
126 HH11 ARG 19 HH11 ARG 19 41.509 18.181 24.207
127 HH12 ARG 19 HH12 ARG 19 42.676 16.937 23.785
128 HH21 ARG 19 HH21 ARG 19 40.736 14.316 24.765
129 HH22 ARG 19 HH22 ARG 19 42.335 14.894 24.280
130 H GLN 20 H GLN 20 34.262 18.730 24.140
131 HA GLN 20 HA GLN 20 32.967 20.503 26.133
132 HB2 GLN 20 HB2 GLN 20 35.324 21.348 25.921
133 HB3 GLN 20 HB3 GLN 20 35.003 21.683 24.212
134 HG2 GLN 20 HG2 GLN 20 33.261 23.327 24.839
135 HG3 GLN 20 HG3 GLN 20 33.433 22.872 26.537
136 HE21 GLN 20 HE21 GLN 20 35.586 25.706 26.730
137 HE22 GLN 20 HE22 GLN 20 34.022 25.061 27.177
138 H GLY 21 H GLY 21 31.001 20.976 25.467
139 HA2 GLY 21 HA2 GLY 21 30.284 21.176 22.591
140 HA3 GLY 21 HA3 GLY 21 29.187 20.986 23.933
141 H LYS 22 H LYS 22 29.418 22.914 21.657
142 HA LYS 22 HA LYS 22 28.846 25.420 23.142
143 HB2 LYS 22 HB2 LYS 22 30.688 25.124 20.756
144 HB3 LYS 22 HB3 LYS 22 30.089 26.668 21.381
145 HG2 LYS 22 HG2 LYS 22 31.114 26.028 23.642
146 HG3 LYS 22 HG3 LYS 22 31.940 24.706 22.807
147 HD2 LYS 22 HD2 LYS 22 32.195 27.674 22.225
148 HD3 LYS 22 HD3 LYS 22 33.393 26.666 23.047
149 HE2 LYS 22 HE2 LYS 22 33.822 25.383 21.046
150 HE3 LYS 22 HE3 LYS 22 32.438 26.106 20.210
151 HZ1 LYS 22 HZ1 LYS 22 33.516 28.207 20.216
152 HZ2 LYS 22 HZ2 LYS 22 34.799 27.667 21.100
153 HZ3 LYS 22 HZ3 LYS 22 34.571 27.126 19.559
154 H CYS 23 H CYS 23 27.608 26.990 21.914
155 HA CYS 23 HA CYS 23 26.595 26.290 19.299
156 HB2 CYS 23 HB2 CYS 23 25.110 24.904 20.767
157 HB3 CYS 23 HB3 CYS 23 24.559 26.376 21.547
158 H TRP 24 H TRP 24 25.998 28.057 18.176
159 HA TRP 24 HA TRP 24 25.356 30.664 19.456
160 HB2 TRP 24 HB2 TRP 24 27.324 31.734 18.380
161 HB3 TRP 24 HB3 TRP 24 27.757 30.591 19.635
162 HD1 TRP 24 HD1 TRP 24 29.097 28.445 18.963
163 HE1 TRP 24 HE1 TRP 24 30.258 27.615 16.826
164 HE3 TRP 24 HE3 TRP 24 27.298 31.926 15.654
165 HZ2 TRP 24 HZ2 TRP 24 30.459 28.415 14.071
166 HZ3 TRP 24 HZ3 TRP 24 27.989 31.853 13.273
167 HH2 TRP 24 HH2 TRP 24 29.565 30.115 12.470
168 H GLY 25 H GLY 25 25.339 28.603 16.637
169 HA2 GLY 25 HA2 GLY 25 25.083 30.549 14.608
170 HA3 GLY 25 HA3 GLY 25 24.650 28.854 14.487
171 H ILE 26 H ILE 26 23.262 30.634 13.058
172 HA ILE 26 HA ILE 26 20.696 31.282 14.395
173 HB ILE 26 HB ILE 26 21.765 33.023 13.083
174 HG12 ILE 26 HG12 ILE 26 19.267 32.131 11.591
175 HG13 ILE 26 HG13 ILE 26 19.229 32.724 13.250
176 HG21 ILE 26 HG21 ILE 26 21.382 31.238 10.630
177 HG22 ILE 26 HG22 ILE 26 21.949 32.915 10.627
178 HG23 ILE 26 HG23 ILE 26 22.942 31.673 11.366
179 HD11 ILE 26 HD11 ILE 26 18.683 34.546 11.763
180 HD12 ILE 26 HD12 ILE 26 20.258 34.873 12.513
181 HD13 ILE 26 HD13 ILE 26 20.165 34.307 10.828
182 H GLN 27 H GLN 27 22.038 28.875 12.182
183 HA GLN 27 HA GLN 27 19.490 27.815 11.293
184 HB2 GLN 27 HB2 GLN 27 21.618 27.290 10.168
185 HB3 GLN 27 HB3 GLN 27 22.195 26.465 11.615
186 HG2 GLN 27 HG2 GLN 27 21.415 24.844 9.955
187 HG3 GLN 27 HG3 GLN 27 20.417 24.755 11.391
188 HE21 GLN 27 HE21 GLN 27 18.757 26.333 7.934
189 HE22 GLN 27 HE22 GLN 27 20.517 26.263 8.112
190 H TYR 28 H TYR 28 18.128 26.303 12.249
191 HA TYR 28 HA TYR 28 18.494 25.747 15.118
192 HB2 TYR 28 HB2 TYR 28 16.372 26.551 14.219
193 HB3 TYR 28 HB3 TYR 28 16.243 25.140 13.183
194 HD1 TYR 28 HD1 TYR 28 15.227 23.156 14.002
195 HD2 TYR 28 HD2 TYR 28 16.470 26.214 16.772
196 HE1 TYR 28 HE1 TYR 28 14.024 21.981 15.841
197 HE2 TYR 28 HE2 TYR 28 15.314 25.012 18.618
198 HH TYR 28 HH TYR 28 13.402 22.035 18.048
199 H LYS 29 H LYS 29 20.028 24.211 15.477
200 HA LYS 29 HA LYS 29 19.559 21.440 14.672
201 HB2 LYS 29 HB2 LYS 29 21.647 21.079 13.479
202 HB3 LYS 29 HB3 LYS 29 20.677 22.277 12.628
203 HG2 LYS 29 HG2 LYS 29 22.049 24.097 13.621
204 HG3 LYS 29 HG3 LYS 29 23.024 22.892 14.469
205 HD2 LYS 29 HD2 LYS 29 22.868 23.188 11.449
206 HD3 LYS 29 HD3 LYS 29 24.152 23.793 12.509
207 HE2 LYS 29 HE2 LYS 29 24.326 21.307 13.327
208 HE3 LYS 29 HE3 LYS 29 23.447 20.921 11.847
209 HZ1 LYS 29 HZ1 LYS 29 25.823 20.829 11.434
210 HZ2 LYS 29 HZ2 LYS 29 25.276 22.165 10.647
211 HZ3 LYS 29 HZ3 LYS 29 26.076 22.293 12.062
212 H TYR 30 H TYR 30 20.967 19.919 15.704
213 HA TYR 30 HA TYR 30 21.387 20.447 18.411
214 HB2 TYR 30 HB2 TYR 30 21.036 18.218 17.499
215 HB3 TYR 30 HB3 TYR 30 22.580 18.270 16.666
216 HD1 TYR 30 HD1 TYR 30 24.586 17.580 17.773
217 HD2 TYR 30 HD2 TYR 30 21.028 18.337 20.091
218 HE1 TYR 30 HE1 TYR 30 25.709 16.662 19.795
219 HE2 TYR 30 HE2 TYR 30 22.155 17.401 22.111
220 HH TYR 30 HH TYR 30 24.156 16.676 22.997
221 H CYS 31 H CYS 31 23.201 20.396 19.726
222 HA CYS 31 HA CYS 31 24.957 22.476 19.511
223 HB2 CYS 31 HB2 CYS 31 25.391 19.905 21.052
224 HB3 CYS 31 HB3 CYS 31 25.957 21.500 21.508
225 H GLN 32 H GLN 32 27.156 22.786 19.139
226 HA GLN 32 HA GLN 32 28.590 20.822 17.433
227 HB2 GLN 32 HB2 GLN 32 29.033 23.733 18.160
228 HB3 GLN 32 HB3 GLN 32 30.268 22.757 17.366
229 HG2 GLN 32 HG2 GLN 32 28.959 24.097 15.743
230 HG3 GLN 32 HG3 GLN 32 28.890 22.357 15.455
231 HE21 GLN 32 HE21 GLN 32 25.396 22.187 15.718
232 HE22 GLN 32 HE22 GLN 32 26.883 21.603 14.962
233 H CYS 33 H CYS 33 29.668 19.301 18.538
234 HA CYS 33 HA CYS 33 31.083 20.127 21.046
235 HB2 CYS 33 HB2 CYS 33 30.667 17.266 20.635
236 HB3 CYS 33 HB3 CYS 33 30.655 18.250 22.111
237 H GLN 34 H GLN 34 33.058 19.357 21.548
238 HA GLN 34 HA GLN 34 34.727 18.138 19.370
239 HB2 GLN 34 HB2 GLN 34 35.501 20.096 21.571
240 HB3 GLN 34 HB3 GLN 34 36.627 19.321 20.450
241 HG2 GLN 34 HG2 GLN 34 35.717 20.493 18.561
242 HG3 GLN 34 HG3 GLN 34 34.372 21.138 19.500
243 HE21 GLN 34 HE21 GLN 34 37.879 23.147 19.493
244 HE22 GLN 34 HE22 GLN 34 37.515 21.801 18.413
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 13.673 24.373 15.937
2 H2 GLY 1 H2 GLY 1 15.072 24.422 16.786
3 H3 GLY 1 H3 GLY 1 14.251 25.822 16.469
4 HA2 GLY 1 HA2 GLY 1 12.383 25.058 17.792
5 HA3 GLY 1 HA3 GLY 1 13.339 23.617 18.198
6 H SER 2 H SER 2 15.206 23.861 19.493
7 HA SER 2 HA SER 2 16.020 26.436 20.638
8 HB2 SER 2 HB2 SER 2 15.503 25.702 23.003
9 HB3 SER 2 HB3 SER 2 14.101 26.132 22.026
10 HG SER 2 HG SER 2 13.460 24.099 21.931
11 H ALA 3 H ALA 3 16.973 23.582 19.453
12 HA ALA 3 HA ALA 3 18.581 22.442 21.504
13 HB1 ALA 3 HB1 ALA 3 18.507 21.961 18.499
14 HB2 ALA 3 HB2 ALA 3 19.240 20.883 19.704
15 HB3 ALA 3 HB3 ALA 3 17.499 21.159 19.728
16 H CYS 4 H CYS 4 19.409 25.320 20.391
17 HA CYS 4 HA CYS 4 22.329 24.692 20.281
18 HB2 CYS 4 HB2 CYS 4 21.158 25.573 18.179
19 HB3 CYS 4 HB3 CYS 4 21.122 27.127 18.991
20 H GLN 5 H GLN 5 21.711 24.620 22.677
21 HA GLN 5 HA GLN 5 21.088 27.020 24.095
22 HB2 GLN 5 HB2 GLN 5 22.542 24.561 25.150
23 HB3 GLN 5 HB3 GLN 5 21.757 25.816 26.078
24 HG2 GLN 5 HG2 GLN 5 20.168 24.170 26.167
25 HG3 GLN 5 HG3 GLN 5 19.575 25.158 24.842
26 HE21 GLN 5 HE21 GLN 5 19.215 21.746 23.595
27 HE22 GLN 5 HE22 GLN 5 18.391 22.889 24.674
28 H PHE 6 H PHE 6 22.379 28.382 25.412
29 HA PHE 6 HA PHE 6 24.910 29.174 24.337
30 HB2 PHE 6 HB2 PHE 6 23.603 29.736 27.025
31 HB3 PHE 6 HB3 PHE 6 24.987 30.617 26.385
32 HD1 PHE 6 HD1 PHE 6 24.080 30.974 23.462
33 HD2 PHE 6 HD2 PHE 6 22.031 31.505 27.229
34 HE1 PHE 6 HE1 PHE 6 22.587 32.635 22.422
35 HE2 PHE 6 HE2 PHE 6 20.579 33.216 26.177
36 HZ PHE 6 HZ PHE 6 20.843 33.788 23.779
37 H TRP 7 H TRP 7 24.172 27.408 27.357
38 HA TRP 7 HA TRP 7 26.907 26.206 27.356
39 HB2 TRP 7 HB2 TRP 7 27.169 26.822 29.750
40 HB3 TRP 7 HB3 TRP 7 27.246 28.170 28.639
41 HD1 TRP 7 HD1 TRP 7 25.617 30.129 28.977
42 HE1 TRP 7 HE1 TRP 7 23.721 30.710 30.617
43 HE3 TRP 7 HE3 TRP 7 25.241 25.616 31.386
44 HZ2 TRP 7 HZ2 TRP 7 22.217 29.359 32.674
45 HZ3 TRP 7 HZ3 TRP 7 23.575 25.305 33.196
46 HH2 TRP 7 HH2 TRP 7 22.055 27.156 33.847
47 H SER 8 H SER 8 23.523 25.992 28.305
48 HA SER 8 HA SER 8 23.632 23.664 29.933
49 HB2 SER 8 HB2 SER 8 21.575 24.746 29.856
50 HB3 SER 8 HB3 SER 8 21.576 24.872 28.100
51 HG SER 8 HG SER 8 21.065 22.531 29.639
52 H CYS 9 H CYS 9 24.286 23.906 26.530
53 HA CYS 9 HA CYS 9 23.766 21.154 25.786
54 HB2 CYS 9 HB2 CYS 9 23.772 22.862 24.106
55 HB3 CYS 9 HB3 CYS 9 25.361 23.421 24.577
56 H ASN 10 H ASN 10 26.603 22.814 27.254
57 HA ASN 10 HA ASN 10 28.517 20.809 26.733
58 HB2 ASN 10 HB2 ASN 10 28.229 22.639 29.153
59 HB3 ASN 10 HB3 ASN 10 29.680 21.679 28.759
60 HD21 ASN 10 HD21 ASN 10 29.828 25.213 27.316
61 HD22 ASN 10 HD22 ASN 10 29.277 24.691 28.923
62 H SER 11 H SER 11 26.078 20.857 29.341
63 HA SER 11 HA SER 11 27.043 18.560 30.770
64 HB2 SER 11 HB2 SER 11 25.431 20.269 31.600
65 HB3 SER 11 HB3 SER 11 24.194 19.602 30.535
66 HG SER 11 HG SER 11 24.291 18.889 32.793
67 H SER 12 H SER 12 24.797 18.861 28.028
68 HA SER 12 HA SER 12 24.149 16.067 27.718
69 HB2 SER 12 HB2 SER 12 22.806 17.889 26.727
70 HB3 SER 12 HB3 SER 12 24.168 18.350 25.693
71 HG SER 12 HG SER 12 22.647 15.982 25.701
72 H CYS 13 H CYS 13 26.582 18.194 26.122
73 HA CYS 13 HA CYS 13 27.744 16.243 24.474
74 HB2 CYS 13 HB2 CYS 13 29.049 18.628 25.862
75 HB3 CYS 13 HB3 CYS 13 29.743 17.763 24.516
76 H ILE 14 H ILE 14 28.734 17.138 27.844
77 HA ILE 14 HA ILE 14 30.884 15.272 28.043
78 HB ILE 14 HB ILE 14 29.090 16.583 30.107
79 HG12 ILE 14 HG12 ILE 14 32.031 17.113 29.470
80 HG13 ILE 14 HG13 ILE 14 30.742 17.940 28.620
81 HG21 ILE 14 HG21 ILE 14 30.795 15.925 31.817
82 HG22 ILE 14 HG22 ILE 14 29.965 14.532 31.149
83 HG23 ILE 14 HG23 ILE 14 31.609 14.923 30.599
84 HD11 ILE 14 HD11 ILE 14 31.258 18.121 31.607
85 HD12 ILE 14 HD12 ILE 14 31.506 19.372 30.382
86 HD13 ILE 14 HD13 ILE 14 29.862 18.839 30.768
87 H SER 15 H SER 15 27.365 14.805 28.498
88 HA SER 15 HA SER 15 27.647 12.126 29.492
89 HB2 SER 15 HB2 SER 15 25.548 13.440 29.790
90 HB3 SER 15 HB3 SER 15 25.295 13.420 28.047
91 HG SER 15 HG SER 15 25.110 11.261 29.873
92 H ARG 16 H ARG 16 27.385 13.396 26.169
93 HA ARG 16 HA ARG 16 27.488 10.769 24.908
94 HB2 ARG 16 HB2 ARG 16 28.177 13.518 23.862
95 HB3 ARG 16 HB3 ARG 16 27.954 12.087 22.856
96 HG2 ARG 16 HG2 ARG 16 25.851 13.671 24.377
97 HG3 ARG 16 HG3 ARG 16 26.074 13.521 22.654
98 HD2 ARG 16 HD2 ARG 16 24.270 12.116 23.059
99 HD3 ARG 16 HD3 ARG 16 25.627 10.984 22.981
100 HE ARG 16 HE ARG 16 24.528 12.120 25.549
101 HH11 ARG 16 HH11 ARG 16 25.445 9.178 23.792
102 HH12 ARG 16 HH12 ARG 16 25.081 8.187 25.172
103 HH21 ARG 16 HH21 ARG 16 24.398 10.782 27.296
104 HH22 ARG 16 HH22 ARG 16 24.438 9.054 27.059
105 H GLY 17 H GLY 17 29.918 12.337 26.636
106 HA2 GLY 17 HA2 GLY 17 32.074 11.454 26.968
107 HA3 GLY 17 HA3 GLY 17 32.014 10.611 25.423
108 H TYR 18 H TYR 18 31.110 13.974 25.365
109 HA TYR 18 HA TYR 18 33.664 14.725 23.999
110 HB2 TYR 18 HB2 TYR 18 31.074 16.226 24.312
111 HB3 TYR 18 HB3 TYR 18 32.423 16.757 23.350
112 HD1 TYR 18 HD1 TYR 18 33.115 15.203 21.308
113 HD2 TYR 18 HD2 TYR 18 29.287 15.209 23.241
114 HE1 TYR 18 HE1 TYR 18 32.068 14.269 19.244
115 HE2 TYR 18 HE2 TYR 18 28.229 14.289 21.186
116 HH TYR 18 HH TYR 18 28.525 13.690 19.031
117 H ARG 19 H ARG 19 34.089 17.281 24.598
118 HA ARG 19 HA ARG 19 34.253 17.518 27.606
119 HB2 ARG 19 HB2 ARG 19 35.991 18.749 25.424
120 HB3 ARG 19 HB3 ARG 19 35.964 19.307 27.083
121 HG2 ARG 19 HG2 ARG 19 37.854 17.934 26.827
122 HG3 ARG 19 HG3 ARG 19 36.723 17.156 27.928
123 HD2 ARG 19 HD2 ARG 19 37.817 15.565 26.375
124 HD3 ARG 19 HD3 ARG 19 36.062 15.557 26.253
125 HE ARG 19 HE ARG 19 36.214 16.342 24.057
126 HH11 ARG 19 HH11 ARG 19 39.470 16.882 25.414
127 HH12 ARG 19 HH12 ARG 19 40.009 17.374 23.806
128 HH21 ARG 19 HH21 ARG 19 37.038 16.872 22.253
129 HH22 ARG 19 HH22 ARG 19 38.738 17.343 22.100
130 H GLN 20 H GLN 20 33.543 19.434 24.659
131 HA GLN 20 HA GLN 20 31.446 20.903 26.139
132 HB2 GLN 20 HB2 GLN 20 33.900 22.291 24.987
133 HB3 GLN 20 HB3 GLN 20 32.357 23.096 25.187
134 HG2 GLN 20 HG2 GLN 20 32.513 22.354 27.685
135 HG3 GLN 20 HG3 GLN 20 34.230 22.124 27.337
136 HE21 GLN 20 HE21 GLN 20 34.725 25.599 27.916
137 HE22 GLN 20 HE22 GLN 20 35.359 23.966 28.050
138 H GLY 21 H GLY 21 29.978 21.950 24.880
139 HA2 GLY 21 HA2 GLY 21 30.159 21.700 21.906
140 HA3 GLY 21 HA3 GLY 21 28.627 21.596 22.759
141 H LYS 22 H LYS 22 29.118 23.388 20.690
142 HA LYS 22 HA LYS 22 29.049 26.037 22.063
143 HB2 LYS 22 HB2 LYS 22 30.801 25.415 19.675
144 HB3 LYS 22 HB3 LYS 22 30.519 27.012 20.393
145 HG2 LYS 22 HG2 LYS 22 31.504 26.271 22.533
146 HG3 LYS 22 HG3 LYS 22 31.861 24.687 21.831
147 HD2 LYS 22 HD2 LYS 22 33.009 27.334 20.867
148 HD3 LYS 22 HD3 LYS 22 33.836 26.128 21.870
149 HE2 LYS 22 HE2 LYS 22 33.417 24.435 20.014
150 HE3 LYS 22 HE3 LYS 22 32.834 25.777 19.014
151 HZ1 LYS 22 HZ1 LYS 22 35.180 25.359 18.587
152 HZ2 LYS 22 HZ2 LYS 22 35.024 26.831 19.313
153 HZ3 LYS 22 HZ3 LYS 22 35.549 25.543 20.182
154 H CYS 23 H CYS 23 28.097 27.727 20.893
155 HA CYS 23 HA CYS 23 26.468 26.963 18.504
156 HB2 CYS 23 HB2 CYS 23 25.166 26.970 20.649
157 HB3 CYS 23 HB3 CYS 23 25.533 28.686 20.800
158 H TRP 24 H TRP 24 28.532 29.449 19.988
159 HA TRP 24 HA TRP 24 27.629 31.645 18.501
160 HB2 TRP 24 HB2 TRP 24 29.471 32.793 19.325
161 HB3 TRP 24 HB3 TRP 24 29.086 31.617 20.551
162 HD1 TRP 24 HD1 TRP 24 30.980 29.926 21.224
163 HE1 TRP 24 HE1 TRP 24 33.518 29.849 20.763
164 HE3 TRP 24 HE3 TRP 24 31.189 33.163 17.261
165 HZ2 TRP 24 HZ2 TRP 24 35.385 31.164 19.029
166 HZ3 TRP 24 HZ3 TRP 24 33.375 33.762 16.252
167 HH2 TRP 24 HH2 TRP 24 35.481 32.804 17.143
168 H GLY 25 H GLY 25 30.094 29.315 17.523
169 HA2 GLY 25 HA2 GLY 25 30.278 30.554 14.798
170 HA3 GLY 25 HA3 GLY 25 31.557 29.628 15.592
171 H ILE 26 H ILE 26 28.628 28.168 16.283
172 HA ILE 26 HA ILE 26 28.833 26.150 14.082
173 HB ILE 26 HB ILE 26 27.667 26.039 16.882
174 HG12 ILE 26 HG12 ILE 26 30.075 25.740 16.886
175 HG13 ILE 26 HG13 ILE 26 29.269 24.244 17.299
176 HG21 ILE 26 HG21 ILE 26 27.446 23.930 14.716
177 HG22 ILE 26 HG22 ILE 26 27.130 23.655 16.441
178 HG23 ILE 26 HG23 ILE 26 26.126 24.786 15.550
179 HD11 ILE 26 HD11 ILE 26 30.560 24.895 14.611
180 HD12 ILE 26 HD12 ILE 26 31.152 23.788 15.851
181 HD13 ILE 26 HD13 ILE 26 29.674 23.391 14.971
182 H GLN 27 H GLN 27 26.965 25.652 12.877
183 HA GLN 27 HA GLN 27 25.248 27.807 12.332
184 HB2 GLN 27 HB2 GLN 27 25.883 25.867 10.871
185 HB3 GLN 27 HB3 GLN 27 24.681 24.885 11.690
186 HG2 GLN 27 HG2 GLN 27 23.906 27.564 10.452
187 HG3 GLN 27 HG3 GLN 27 24.211 26.169 9.433
188 HE21 GLN 27 HE21 GLN 27 20.735 25.690 9.698
189 HE22 GLN 27 HE22 GLN 27 21.963 26.576 8.783
190 H TYR 28 H TYR 28 23.480 28.572 13.159
191 HA TYR 28 HA TYR 28 22.854 28.269 15.756
192 HB2 TYR 28 HB2 TYR 28 21.185 29.904 15.391
193 HB3 TYR 28 HB3 TYR 28 22.419 30.190 14.177
194 HD1 TYR 28 HD1 TYR 28 21.978 29.555 11.762
195 HD2 TYR 28 HD2 TYR 28 18.944 29.193 14.812
196 HE1 TYR 28 HE1 TYR 28 20.258 29.218 10.009
197 HE2 TYR 28 HE2 TYR 28 17.231 28.865 13.049
198 HH TYR 28 HH TYR 28 18.037 28.882 9.569
199 H LYS 29 H LYS 29 21.484 25.976 13.532
200 HA LYS 29 HA LYS 29 18.957 25.615 14.981
201 HB2 LYS 29 HB2 LYS 29 20.310 23.982 12.797
202 HB3 LYS 29 HB3 LYS 29 18.742 23.626 13.486
203 HG2 LYS 29 HG2 LYS 29 17.936 25.917 12.800
204 HG3 LYS 29 HG3 LYS 29 19.459 26.117 11.910
205 HD2 LYS 29 HD2 LYS 29 18.944 24.023 10.638
206 HD3 LYS 29 HD3 LYS 29 17.403 23.892 11.498
207 HE2 LYS 29 HE2 LYS 29 16.705 26.100 10.586
208 HE3 LYS 29 HE3 LYS 29 18.229 26.211 9.694
209 HZ1 LYS 29 HZ1 LYS 29 16.439 25.391 8.315
210 HZ2 LYS 29 HZ2 LYS 29 17.588 24.204 8.476
211 HZ3 LYS 29 HZ3 LYS 29 16.141 24.145 9.307
212 H TYR 30 H TYR 30 22.150 24.271 15.476
213 HA TYR 30 HA TYR 30 21.178 22.624 17.707
214 HB2 TYR 30 HB2 TYR 30 20.614 21.126 15.941
215 HB3 TYR 30 HB3 TYR 30 22.135 21.401 15.106
216 HD1 TYR 30 HD1 TYR 30 24.125 20.168 15.671
217 HD2 TYR 30 HD2 TYR 30 20.526 19.721 18.012
218 HE1 TYR 30 HE1 TYR 30 25.065 18.126 16.752
219 HE2 TYR 30 HE2 TYR 30 21.479 17.695 19.091
220 HH TYR 30 HH TYR 30 23.221 16.170 19.081
221 H CYS 31 H CYS 31 22.700 22.444 19.252
222 HA CYS 31 HA CYS 31 25.376 23.550 18.867
223 HB2 CYS 31 HB2 CYS 31 24.249 24.018 20.898
224 HB3 CYS 31 HB3 CYS 31 23.852 22.317 21.166
225 H GLN 32 H GLN 32 27.054 22.500 18.113
226 HA GLN 32 HA GLN 32 27.268 19.522 18.203
227 HB2 GLN 32 HB2 GLN 32 28.782 21.596 16.547
228 HB3 GLN 32 HB3 GLN 32 29.073 19.862 16.534
229 HG2 GLN 32 HG2 GLN 32 26.601 19.584 15.888
230 HG3 GLN 32 HG3 GLN 32 26.602 21.317 15.545
231 HE21 GLN 32 HE21 GLN 32 28.345 18.684 12.950
232 HE22 GLN 32 HE22 GLN 32 27.744 18.126 14.507
233 H CYS 33 H CYS 33 29.240 18.514 18.903
234 HA CYS 33 HA CYS 33 30.748 20.124 20.919
235 HB2 CYS 33 HB2 CYS 33 30.121 17.247 21.303
236 HB3 CYS 33 HB3 CYS 33 30.461 18.487 22.519
237 H GLN 34 H GLN 34 32.703 19.263 21.775
238 HA GLN 34 HA GLN 34 34.104 17.088 20.363
239 HB2 GLN 34 HB2 GLN 34 35.460 19.778 20.778
240 HB3 GLN 34 HB3 GLN 34 36.172 18.313 20.113
241 HG2 GLN 34 HG2 GLN 34 34.497 18.470 18.196
242 HG3 GLN 34 HG3 GLN 34 34.075 20.078 18.801
243 HE21 GLN 34 HE21 GLN 34 37.472 21.316 17.955
244 HE22 GLN 34 HE22 GLN 34 36.276 21.483 19.256
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 17.953 33.682 18.179
2 H2 GLY 1 H2 GLY 1 17.163 33.767 16.728
3 H3 GLY 1 H3 GLY 1 17.767 35.136 17.423
4 HA2 GLY 1 HA2 GLY 1 19.122 34.334 15.554
5 HA3 GLY 1 HA3 GLY 1 19.996 34.438 17.093
6 H SER 2 H SER 2 21.015 32.668 17.805
7 HA SER 2 HA SER 2 21.296 30.454 16.050
8 HB2 SER 2 HB2 SER 2 22.993 31.608 17.552
9 HB3 SER 2 HB3 SER 2 22.333 30.647 18.894
10 HG SER 2 HG SER 2 24.127 29.989 17.029
11 H ALA 3 H ALA 3 19.029 30.789 18.593
12 HA ALA 3 HA ALA 3 17.581 29.450 19.620
13 HB1 ALA 3 HB1 ALA 3 17.859 27.684 17.186
14 HB2 ALA 3 HB2 ALA 3 16.466 27.781 18.283
15 HB3 ALA 3 HB3 ALA 3 16.899 29.171 17.266
16 H CYS 4 H CYS 4 19.943 29.198 20.779
17 HA CYS 4 HA CYS 4 20.099 26.359 21.703
18 HB2 CYS 4 HB2 CYS 4 22.305 28.179 20.722
19 HB3 CYS 4 HB3 CYS 4 22.643 26.869 21.848
20 H GLN 5 H GLN 5 20.694 26.014 23.797
21 HA GLN 5 HA GLN 5 19.945 27.978 25.745
22 HB2 GLN 5 HB2 GLN 5 21.201 25.210 26.035
23 HB3 GLN 5 HB3 GLN 5 20.497 26.160 27.333
24 HG2 GLN 5 HG2 GLN 5 18.312 26.162 26.035
25 HG3 GLN 5 HG3 GLN 5 19.032 24.956 24.976
26 HE21 GLN 5 HE21 GLN 5 17.949 22.411 27.182
27 HE22 GLN 5 HE22 GLN 5 18.090 23.013 25.544
28 H PHE 6 H PHE 6 21.190 28.448 27.736
29 HA PHE 6 HA PHE 6 23.550 29.921 27.155
30 HB2 PHE 6 HB2 PHE 6 22.336 28.923 29.755
31 HB3 PHE 6 HB3 PHE 6 23.605 30.133 29.680
32 HD1 PHE 6 HD1 PHE 6 20.606 30.185 30.799
33 HD2 PHE 6 HD2 PHE 6 22.610 31.868 27.365
34 HE1 PHE 6 HE1 PHE 6 19.003 32.075 30.781
35 HE2 PHE 6 HE2 PHE 6 20.991 33.732 27.340
36 HZ PHE 6 HZ PHE 6 19.191 33.856 29.051
37 H TRP 7 H TRP 7 23.247 26.792 28.788
38 HA TRP 7 HA TRP 7 26.115 26.188 28.312
39 HB2 TRP 7 HB2 TRP 7 26.263 25.488 30.799
40 HB3 TRP 7 HB3 TRP 7 26.470 27.166 30.347
41 HD1 TRP 7 HD1 TRP 7 25.090 28.898 31.539
42 HE1 TRP 7 HE1 TRP 7 23.033 28.946 33.066
43 HE3 TRP 7 HE3 TRP 7 23.941 23.903 31.516
44 HZ2 TRP 7 HZ2 TRP 7 21.045 27.086 34.026
45 HZ3 TRP 7 HZ3 TRP 7 21.918 23.084 32.690
46 HH2 TRP 7 HH2 TRP 7 20.449 24.662 33.920
47 H SER 8 H SER 8 22.872 25.062 28.809
48 HA SER 8 HA SER 8 23.497 22.397 29.493
49 HB2 SER 8 HB2 SER 8 21.245 23.666 29.551
50 HB3 SER 8 HB3 SER 8 21.003 23.006 27.923
51 HG SER 8 HG SER 8 21.140 20.925 28.797
52 H CYS 9 H CYS 9 23.599 23.868 26.322
53 HA CYS 9 HA CYS 9 23.655 21.634 24.590
54 HB2 CYS 9 HB2 CYS 9 23.597 23.838 23.698
55 HB3 CYS 9 HB3 CYS 9 24.993 24.353 24.635
56 H ASN 10 H ASN 10 26.361 23.134 26.425
57 HA ASN 10 HA ASN 10 28.312 21.109 25.685
58 HB2 ASN 10 HB2 ASN 10 28.912 23.418 26.284
59 HB3 ASN 10 HB3 ASN 10 28.232 23.198 27.900
60 HD21 ASN 10 HD21 ASN 10 31.302 22.031 29.113
61 HD22 ASN 10 HD22 ASN 10 29.707 22.700 29.444
62 H SER 11 H SER 11 26.239 21.622 28.565
63 HA SER 11 HA SER 11 27.137 19.534 30.212
64 HB2 SER 11 HB2 SER 11 25.492 21.303 30.819
65 HB3 SER 11 HB3 SER 11 24.284 20.475 29.806
66 HG SER 11 HG SER 11 23.907 19.842 31.810
67 H SER 12 H SER 12 24.798 19.295 27.480
68 HA SER 12 HA SER 12 24.406 16.446 27.737
69 HB2 SER 12 HB2 SER 12 22.854 17.839 26.472
70 HB3 SER 12 HB3 SER 12 24.115 18.222 25.288
71 HG SER 12 HG SER 12 24.080 16.180 24.534
72 H CYS 13 H CYS 13 26.751 18.335 25.698
73 HA CYS 13 HA CYS 13 27.863 16.079 24.403
74 HB2 CYS 13 HB2 CYS 13 29.231 18.688 25.254
75 HB3 CYS 13 HB3 CYS 13 29.909 17.533 24.151
76 H ILE 14 H ILE 14 28.742 17.512 27.571
77 HA ILE 14 HA ILE 14 30.909 15.747 28.176
78 HB ILE 14 HB ILE 14 28.987 17.358 29.882
79 HG12 ILE 14 HG12 ILE 14 31.969 17.691 29.284
80 HG13 ILE 14 HG13 ILE 14 30.696 18.494 28.374
81 HG21 ILE 14 HG21 ILE 14 31.393 15.745 30.849
82 HG22 ILE 14 HG22 ILE 14 30.521 16.946 31.817
83 HG23 ILE 14 HG23 ILE 14 29.688 15.494 31.310
84 HD11 ILE 14 HD11 ILE 14 29.924 19.647 30.440
85 HD12 ILE 14 HD12 ILE 14 31.315 18.949 31.315
86 HD13 ILE 14 HD13 ILE 14 31.587 20.042 29.960
87 H SER 15 H SER 15 27.371 15.242 28.528
88 HA SER 15 HA SER 15 27.711 12.686 29.873
89 HB2 SER 15 HB2 SER 15 25.600 13.969 30.069
90 HB3 SER 15 HB3 SER 15 25.327 13.800 28.331
91 HG SER 15 HG SER 15 24.191 12.155 29.190
92 H ARG 16 H ARG 16 27.281 13.615 26.453
93 HA ARG 16 HA ARG 16 27.445 10.909 25.408
94 HB2 ARG 16 HB2 ARG 16 28.101 13.577 24.133
95 HB3 ARG 16 HB3 ARG 16 27.908 12.058 23.259
96 HG2 ARG 16 HG2 ARG 16 25.744 13.652 24.691
97 HG3 ARG 16 HG3 ARG 16 25.984 13.448 22.974
98 HD2 ARG 16 HD2 ARG 16 24.250 11.999 23.373
99 HD3 ARG 16 HD3 ARG 16 25.644 10.910 23.380
100 HE ARG 16 HE ARG 16 24.516 12.128 25.884
101 HH11 ARG 16 HH11 ARG 16 25.398 9.124 24.172
102 HH12 ARG 16 HH12 ARG 16 24.980 8.154 25.554
103 HH21 ARG 16 HH21 ARG 16 23.863 10.694 27.526
104 HH22 ARG 16 HH22 ARG 16 24.364 9.019 27.416
105 H GLY 17 H GLY 17 29.832 12.512 27.096
106 HA2 GLY 17 HA2 GLY 17 31.989 11.783 27.522
107 HA3 GLY 17 HA3 GLY 17 31.842 10.544 26.271
108 H TYR 18 H TYR 18 31.243 13.975 25.645
109 HA TYR 18 HA TYR 18 33.663 14.142 23.921
110 HB2 TYR 18 HB2 TYR 18 31.191 15.839 24.098
111 HB3 TYR 18 HB3 TYR 18 32.567 16.275 23.121
112 HD1 TYR 18 HD1 TYR 18 29.416 14.858 22.926
113 HD2 TYR 18 HD2 TYR 18 33.441 14.175 21.555
114 HE1 TYR 18 HE1 TYR 18 28.548 13.410 21.099
115 HE2 TYR 18 HE2 TYR 18 32.581 12.722 19.732
116 HH TYR 18 HH TYR 18 30.711 11.633 18.875
117 H ARG 19 H ARG 19 34.796 16.248 23.957
118 HA ARG 19 HA ARG 19 35.758 16.797 26.704
119 HB2 ARG 19 HB2 ARG 19 36.524 17.941 23.973
120 HB3 ARG 19 HB3 ARG 19 37.225 18.476 25.506
121 HG2 ARG 19 HG2 ARG 19 37.906 16.087 25.971
122 HG3 ARG 19 HG3 ARG 19 37.328 15.662 24.357
123 HD2 ARG 19 HD2 ARG 19 39.666 15.934 24.242
124 HD3 ARG 19 HD3 ARG 19 38.945 17.305 23.376
125 HE ARG 19 HE ARG 19 39.276 18.514 25.689
126 HH11 ARG 19 HH11 ARG 19 41.653 16.309 24.318
127 HH12 ARG 19 HH12 ARG 19 42.796 16.686 25.600
128 HH21 ARG 19 HH21 ARG 19 40.797 19.108 27.016
129 HH22 ARG 19 HH22 ARG 19 42.426 18.490 26.904
130 H GLN 20 H GLN 20 34.337 18.801 24.144
131 HA GLN 20 HA GLN 20 32.563 20.123 25.959
132 HB2 GLN 20 HB2 GLN 20 33.426 22.428 25.705
133 HB3 GLN 20 HB3 GLN 20 34.475 21.380 26.640
134 HG2 GLN 20 HG2 GLN 20 35.904 21.097 24.513
135 HG3 GLN 20 HG3 GLN 20 34.922 22.371 23.800
136 HE21 GLN 20 HE21 GLN 20 37.677 24.334 25.113
137 HE22 GLN 20 HE22 GLN 20 37.141 23.529 23.647
138 H GLY 21 H GLY 21 31.015 21.361 24.903
139 HA2 GLY 21 HA2 GLY 21 31.058 21.405 21.912
140 HA3 GLY 21 HA3 GLY 21 29.597 21.035 22.826
141 H LYS 22 H LYS 22 29.633 22.897 20.936
142 HA LYS 22 HA LYS 22 28.729 25.238 22.422
143 HB2 LYS 22 HB2 LYS 22 30.023 26.920 21.355
144 HB3 LYS 22 HB3 LYS 22 31.151 25.746 22.027
145 HG2 LYS 22 HG2 LYS 22 31.347 24.708 19.732
146 HG3 LYS 22 HG3 LYS 22 30.269 25.964 19.112
147 HD2 LYS 22 HD2 LYS 22 32.497 26.551 18.546
148 HD3 LYS 22 HD3 LYS 22 31.935 27.697 19.778
149 HE2 LYS 22 HE2 LYS 22 33.176 26.531 21.509
150 HE3 LYS 22 HE3 LYS 22 33.558 25.197 20.415
151 HZ1 LYS 22 HZ1 LYS 22 35.431 26.722 20.619
152 HZ2 LYS 22 HZ2 LYS 22 34.878 26.702 19.080
153 HZ3 LYS 22 HZ3 LYS 22 34.531 27.982 20.070
154 H CYS 23 H CYS 23 27.491 26.663 21.184
155 HA CYS 23 HA CYS 23 26.629 25.826 18.444
156 HB2 CYS 23 HB2 CYS 23 24.973 25.230 20.208
157 HB3 CYS 23 HB3 CYS 23 24.938 26.900 20.734
158 H TRP 24 H TRP 24 26.973 28.474 20.836
159 HA TRP 24 HA TRP 24 26.141 30.578 19.202
160 HB2 TRP 24 HB2 TRP 24 26.646 31.931 20.972
161 HB3 TRP 24 HB3 TRP 24 26.480 30.398 21.784
162 HD1 TRP 24 HD1 TRP 24 28.875 29.218 22.530
163 HE1 TRP 24 HE1 TRP 24 31.098 30.256 23.247
164 HE3 TRP 24 HE3 TRP 24 28.239 33.926 20.599
165 HZ2 TRP 24 HZ2 TRP 24 32.382 32.839 23.143
166 HZ3 TRP 24 HZ3 TRP 24 30.000 35.651 20.912
167 HH2 TRP 24 HH2 TRP 24 32.058 35.130 22.202
168 H GLY 25 H GLY 25 27.221 32.426 18.450
169 HA2 GLY 25 HA2 GLY 25 29.455 33.520 18.073
170 HA3 GLY 25 HA3 GLY 25 29.985 31.994 17.383
171 H ILE 26 H ILE 26 30.467 33.004 15.397
172 HA ILE 26 HA ILE 26 28.292 34.188 13.785
173 HB ILE 26 HB ILE 26 29.947 34.777 12.204
174 HG12 ILE 26 HG12 ILE 26 31.993 33.210 13.816
175 HG13 ILE 26 HG13 ILE 26 31.359 32.775 12.229
176 HG21 ILE 26 HG21 ILE 26 31.116 35.369 14.936
177 HG22 ILE 26 HG22 ILE 26 31.191 36.369 13.469
178 HG23 ILE 26 HG23 ILE 26 29.642 36.138 14.291
179 HD11 ILE 26 HD11 ILE 26 32.330 34.889 11.293
180 HD12 ILE 26 HD12 ILE 26 33.107 35.177 12.871
181 HD13 ILE 26 HD13 ILE 26 33.526 33.742 11.925
182 H GLN 27 H GLN 27 29.300 31.035 14.308
183 HA GLN 27 HA GLN 27 28.844 29.985 11.625
184 HB2 GLN 27 HB2 GLN 27 30.410 28.901 13.100
185 HB3 GLN 27 HB3 GLN 27 29.202 28.727 14.368
186 HG2 GLN 27 HG2 GLN 27 29.672 26.600 13.237
187 HG3 GLN 27 HG3 GLN 27 27.981 27.072 13.106
188 HE21 GLN 27 HE21 GLN 27 30.313 27.079 9.684
189 HE22 GLN 27 HE22 GLN 27 31.088 27.353 11.246
190 H TYR 28 H TYR 28 26.956 29.489 10.722
191 HA TYR 28 HA TYR 28 24.436 29.803 12.090
192 HB2 TYR 28 HB2 TYR 28 24.952 30.348 9.694
193 HB3 TYR 28 HB3 TYR 28 25.003 28.636 9.339
194 HD1 TYR 28 HD1 TYR 28 22.790 31.310 10.767
195 HD2 TYR 28 HD2 TYR 28 22.980 27.501 8.731
196 HE1 TYR 28 HE1 TYR 28 20.305 31.308 10.505
197 HE2 TYR 28 HE2 TYR 28 20.512 27.538 8.435
198 HH TYR 28 HH TYR 28 18.585 28.833 8.622
199 H LYS 29 H LYS 29 26.380 26.910 11.560
200 HA LYS 29 HA LYS 29 24.345 24.916 11.840
201 HB2 LYS 29 HB2 LYS 29 27.304 24.903 12.515
202 HB3 LYS 29 HB3 LYS 29 26.270 23.503 12.760
203 HG2 LYS 29 HG2 LYS 29 25.703 23.437 10.364
204 HG3 LYS 29 HG3 LYS 29 26.698 24.867 10.072
205 HD2 LYS 29 HD2 LYS 29 28.055 23.014 9.446
206 HD3 LYS 29 HD3 LYS 29 28.675 23.545 11.014
207 HE2 LYS 29 HE2 LYS 29 27.012 21.744 11.989
208 HE3 LYS 29 HE3 LYS 29 26.952 21.122 10.339
209 HZ1 LYS 29 HZ1 LYS 29 29.479 20.984 10.526
210 HZ2 LYS 29 HZ2 LYS 29 29.325 21.351 12.102
211 HZ3 LYS 29 HZ3 LYS 29 28.648 19.964 11.532
212 H TYR 30 H TYR 30 23.895 23.523 13.556
213 HA TYR 30 HA TYR 30 23.053 24.933 15.955
214 HB2 TYR 30 HB2 TYR 30 21.660 23.366 14.595
215 HB3 TYR 30 HB3 TYR 30 22.711 22.039 15.072
216 HD1 TYR 30 HD1 TYR 30 20.630 24.804 16.570
217 HD2 TYR 30 HD2 TYR 30 22.081 20.761 16.964
218 HE1 TYR 30 HE1 TYR 30 19.402 24.569 18.705
219 HE2 TYR 30 HE2 TYR 30 20.839 20.534 19.114
220 HH TYR 30 HH TYR 30 18.788 23.151 20.432
221 H CYS 31 H CYS 31 23.087 23.371 18.035
222 HA CYS 31 HA CYS 31 25.663 23.447 19.219
223 HB2 CYS 31 HB2 CYS 31 23.563 23.510 20.499
224 HB3 CYS 31 HB3 CYS 31 23.135 21.913 19.889
225 H GLN 32 H GLN 32 27.387 22.234 18.899
226 HA GLN 32 HA GLN 32 27.221 19.304 18.562
227 HB2 GLN 32 HB2 GLN 32 28.661 21.117 16.571
228 HB3 GLN 32 HB3 GLN 32 28.811 19.356 16.659
229 HG2 GLN 32 HG2 GLN 32 26.315 19.189 16.252
230 HG3 GLN 32 HG3 GLN 32 26.296 20.925 15.961
231 HE21 GLN 32 HE21 GLN 32 26.478 19.548 12.621
232 HE22 GLN 32 HE22 GLN 32 25.342 20.088 13.843
233 H CYS 33 H CYS 33 29.571 18.381 18.586
234 HA CYS 33 HA CYS 33 31.100 19.804 20.707
235 HB2 CYS 33 HB2 CYS 33 30.843 16.877 20.936
236 HB3 CYS 33 HB3 CYS 33 30.911 18.118 22.186
237 H GLN 34 H GLN 34 33.155 18.750 21.308
238 HA GLN 34 HA GLN 34 34.619 17.546 18.992
239 HB2 GLN 34 HB2 GLN 34 35.667 19.400 21.160
240 HB3 GLN 34 HB3 GLN 34 36.672 18.563 19.978
241 HG2 GLN 34 HG2 GLN 34 34.523 20.621 19.319
242 HG3 GLN 34 HG3 GLN 34 36.248 20.927 19.363
243 HE21 GLN 34 HE21 GLN 34 35.081 20.256 15.811
244 HE22 GLN 34 HE22 GLN 34 34.668 21.463 17.042
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 17.089 37.314 18.886
2 H2 GLY 1 H2 GLY 1 16.531 36.174 19.946
3 H3 GLY 1 H3 GLY 1 17.673 35.788 18.836
4 HA2 GLY 1 HA2 GLY 1 19.307 37.193 19.868
5 HA3 GLY 1 HA3 GLY 1 18.058 37.711 21.024
6 H SER 2 H SER 2 20.693 36.142 21.213
7 HA SER 2 HA SER 2 21.582 34.420 22.396
8 HB2 SER 2 HB2 SER 2 20.857 34.566 24.800
9 HB3 SER 2 HB3 SER 2 21.278 36.070 23.989
10 HG SER 2 HG SER 2 18.734 35.162 24.800
11 H ALA 3 H ALA 3 19.520 33.221 20.715
12 HA ALA 3 HA ALA 3 17.973 31.334 22.191
13 HB1 ALA 3 HB1 ALA 3 18.770 31.426 19.253
14 HB2 ALA 3 HB2 ALA 3 17.454 30.449 19.947
15 HB3 ALA 3 HB3 ALA 3 17.351 32.216 19.987
16 H CYS 4 H CYS 4 21.342 31.190 21.417
17 HA CYS 4 HA CYS 4 21.622 28.306 21.440
18 HB2 CYS 4 HB2 CYS 4 23.494 30.601 22.112
19 HB3 CYS 4 HB3 CYS 4 23.966 28.917 22.302
20 H GLN 5 H GLN 5 21.617 26.904 23.078
21 HA GLN 5 HA GLN 5 20.716 27.470 25.688
22 HB2 GLN 5 HB2 GLN 5 22.407 25.133 24.681
23 HB3 GLN 5 HB3 GLN 5 21.559 25.218 26.224
24 HG2 GLN 5 HG2 GLN 5 20.105 23.956 24.970
25 HG3 GLN 5 HG3 GLN 5 19.391 25.545 24.816
26 HE21 GLN 5 HE21 GLN 5 19.314 24.042 21.443
27 HE22 GLN 5 HE22 GLN 5 18.588 23.684 23.009
28 H PHE 6 H PHE 6 21.708 28.119 27.544
29 HA PHE 6 HA PHE 6 24.182 29.524 27.346
30 HB2 PHE 6 HB2 PHE 6 22.647 28.616 29.809
31 HB3 PHE 6 HB3 PHE 6 23.931 29.812 29.792
32 HD1 PHE 6 HD1 PHE 6 22.182 30.641 26.840
33 HD2 PHE 6 HD2 PHE 6 21.775 30.725 31.134
34 HE1 PHE 6 HE1 PHE 6 20.557 32.475 26.656
35 HE2 PHE 6 HE2 PHE 6 20.156 32.588 30.930
36 HZ PHE 6 HZ PHE 6 19.522 33.455 28.689
37 H TRP 7 H TRP 7 23.455 26.477 29.027
38 HA TRP 7 HA TRP 7 26.129 25.430 28.356
39 HB2 TRP 7 HB2 TRP 7 26.531 24.720 30.749
40 HB3 TRP 7 HB3 TRP 7 26.643 26.446 30.475
41 HD1 TRP 7 HD1 TRP 7 25.081 28.006 31.766
42 HE1 TRP 7 HE1 TRP 7 23.253 27.748 33.539
43 HE3 TRP 7 HE3 TRP 7 24.522 22.913 31.614
44 HZ2 TRP 7 HZ2 TRP 7 21.782 25.609 34.799
45 HZ3 TRP 7 HZ3 TRP 7 22.869 21.794 33.092
46 HH2 TRP 7 HH2 TRP 7 21.514 23.116 34.693
47 H SER 8 H SER 8 22.772 24.825 28.894
48 HA SER 8 HA SER 8 22.776 22.070 29.384
49 HB2 SER 8 HB2 SER 8 20.690 23.183 29.309
50 HB3 SER 8 HB3 SER 8 20.976 23.808 27.680
51 HG SER 8 HG SER 8 19.634 22.094 27.428
52 H CYS 9 H CYS 9 23.564 23.663 26.272
53 HA CYS 9 HA CYS 9 23.760 21.213 24.737
54 HB2 CYS 9 HB2 CYS 9 24.307 24.074 24.406
55 HB3 CYS 9 HB3 CYS 9 25.560 23.111 23.668
56 H ASN 10 H ASN 10 26.193 23.166 26.552
57 HA ASN 10 HA ASN 10 28.411 21.475 25.899
58 HB2 ASN 10 HB2 ASN 10 28.409 23.893 26.804
59 HB3 ASN 10 HB3 ASN 10 28.163 23.191 28.408
60 HD21 ASN 10 HD21 ASN 10 31.579 22.248 28.682
61 HD22 ASN 10 HD22 ASN 10 30.031 22.417 29.495
62 H SER 11 H SER 11 26.267 21.527 28.750
63 HA SER 11 HA SER 11 27.345 19.335 30.197
64 HB2 SER 11 HB2 SER 11 25.770 20.956 31.140
65 HB3 SER 11 HB3 SER 11 24.507 20.429 30.014
66 HG SER 11 HG SER 11 25.523 19.199 32.298
67 H SER 12 H SER 12 24.717 19.372 27.712
68 HA SER 12 HA SER 12 24.264 16.543 27.737
69 HB2 SER 12 HB2 SER 12 22.599 17.944 26.795
70 HB3 SER 12 HB3 SER 12 23.741 18.681 25.656
71 HG SER 12 HG SER 12 23.653 17.019 24.405
72 H CYS 13 H CYS 13 26.488 18.553 25.659
73 HA CYS 13 HA CYS 13 27.555 16.378 24.190
74 HB2 CYS 13 HB2 CYS 13 28.898 18.943 25.162
75 HB3 CYS 13 HB3 CYS 13 29.636 17.780 24.068
76 H ILE 14 H ILE 14 28.703 17.718 27.358
77 HA ILE 14 HA ILE 14 30.795 15.853 27.773
78 HB ILE 14 HB ILE 14 29.050 17.464 29.658
79 HG12 ILE 14 HG12 ILE 14 32.020 17.715 28.958
80 HG13 ILE 14 HG13 ILE 14 30.768 18.543 28.060
81 HG21 ILE 14 HG21 ILE 14 31.477 15.757 30.425
82 HG22 ILE 14 HG22 ILE 14 30.641 16.915 31.476
83 HG23 ILE 14 HG23 ILE 14 29.795 15.490 30.945
84 HD11 ILE 14 HD11 ILE 14 31.349 18.958 31.009
85 HD12 ILE 14 HD12 ILE 14 31.704 20.062 29.681
86 HD13 ILE 14 HD13 ILE 14 30.014 19.716 30.108
87 H SER 15 H SER 15 27.337 15.587 28.643
88 HA SER 15 HA SER 15 27.483 13.001 29.798
89 HB2 SER 15 HB2 SER 15 25.598 14.574 30.052
90 HB3 SER 15 HB3 SER 15 25.213 14.430 28.344
91 HG SER 15 HG SER 15 24.774 12.643 30.447
92 H ARG 16 H ARG 16 27.132 13.905 26.343
93 HA ARG 16 HA ARG 16 27.050 11.120 25.434
94 HB2 ARG 16 HB2 ARG 16 27.613 13.685 23.898
95 HB3 ARG 16 HB3 ARG 16 27.262 12.111 23.196
96 HG2 ARG 16 HG2 ARG 16 25.349 13.935 24.674
97 HG3 ARG 16 HG3 ARG 16 25.345 13.465 23.010
98 HD2 ARG 16 HD2 ARG 16 23.631 12.161 23.882
99 HD3 ARG 16 HD3 ARG 16 24.992 11.026 23.886
100 HE ARG 16 HE ARG 16 24.472 12.615 26.337
101 HH11 ARG 16 HH11 ARG 16 23.989 9.434 24.845
102 HH12 ARG 16 HH12 ARG 16 23.885 8.694 26.442
103 HH21 ARG 16 HH21 ARG 16 24.234 11.485 28.277
104 HH22 ARG 16 HH22 ARG 16 23.892 9.766 28.174
105 H GLY 17 H GLY 17 29.517 12.561 26.943
106 HA2 GLY 17 HA2 GLY 17 31.563 11.493 27.305
107 HA3 GLY 17 HA3 GLY 17 31.445 10.684 25.745
108 H TYR 18 H TYR 18 30.889 14.068 25.454
109 HA TYR 18 HA TYR 18 33.471 14.405 24.068
110 HB2 TYR 18 HB2 TYR 18 30.997 16.120 24.251
111 HB3 TYR 18 HB3 TYR 18 32.388 16.530 23.297
112 HD1 TYR 18 HD1 TYR 18 33.206 14.588 21.608
113 HD2 TYR 18 HD2 TYR 18 29.189 15.120 23.086
114 HE1 TYR 18 HE1 TYR 18 32.300 13.438 19.592
115 HE2 TYR 18 HE2 TYR 18 28.297 13.979 21.072
116 HH TYR 18 HH TYR 18 28.804 12.840 19.125
117 H ARG 19 H ARG 19 34.520 16.567 24.263
118 HA ARG 19 HA ARG 19 35.153 17.202 27.104
119 HB2 ARG 19 HB2 ARG 19 36.308 18.355 24.521
120 HB3 ARG 19 HB3 ARG 19 36.867 18.718 26.152
121 HG2 ARG 19 HG2 ARG 19 37.412 16.270 26.464
122 HG3 ARG 19 HG3 ARG 19 36.957 16.017 24.770
123 HD2 ARG 19 HD2 ARG 19 39.271 16.212 24.692
124 HD3 ARG 19 HD3 ARG 19 38.703 17.801 24.166
125 HE ARG 19 HE ARG 19 39.126 17.970 26.969
126 HH11 ARG 19 HH11 ARG 19 41.176 17.503 24.120
127 HH12 ARG 19 HH12 ARG 19 42.609 17.878 25.093
128 HH21 ARG 19 HH21 ARG 19 40.995 18.414 27.987
129 HH22 ARG 19 HH22 ARG 19 42.527 18.356 27.084
130 H GLN 20 H GLN 20 33.955 19.049 24.299
131 HA GLN 20 HA GLN 20 32.294 20.793 25.942
132 HB2 GLN 20 HB2 GLN 20 33.407 22.877 25.309
133 HB3 GLN 20 HB3 GLN 20 34.431 21.886 26.332
134 HG2 GLN 20 HG2 GLN 20 35.809 21.222 24.425
135 HG3 GLN 20 HG3 GLN 20 34.738 22.073 23.307
136 HE21 GLN 20 HE21 GLN 20 37.548 24.375 23.828
137 HE22 GLN 20 HE22 GLN 20 37.231 22.835 23.024
138 H GLY 21 H GLY 21 30.804 22.004 24.726
139 HA2 GLY 21 HA2 GLY 21 30.806 21.667 21.755
140 HA3 GLY 21 HA3 GLY 21 29.344 21.483 22.705
141 H LYS 22 H LYS 22 29.736 23.177 20.498
142 HA LYS 22 HA LYS 22 29.236 25.892 21.670
143 HB2 LYS 22 HB2 LYS 22 31.025 25.209 19.325
144 HB3 LYS 22 HB3 LYS 22 30.436 26.841 19.670
145 HG2 LYS 22 HG2 LYS 22 31.467 26.683 21.961
146 HG3 LYS 22 HG3 LYS 22 32.204 25.155 21.472
147 HD2 LYS 22 HD2 LYS 22 32.681 27.912 20.270
148 HD3 LYS 22 HD3 LYS 22 33.814 26.954 21.225
149 HE2 LYS 22 HE2 LYS 22 33.665 25.175 19.370
150 HE3 LYS 22 HE3 LYS 22 32.779 26.383 18.422
151 HZ1 LYS 22 HZ1 LYS 22 34.786 27.865 18.852
152 HZ2 LYS 22 HZ2 LYS 22 35.587 26.513 19.345
153 HZ3 LYS 22 HZ3 LYS 22 35.035 26.638 17.803
154 H CYS 23 H CYS 23 28.068 27.325 20.423
155 HA CYS 23 HA CYS 23 26.217 26.201 18.351
156 HB2 CYS 23 HB2 CYS 23 25.203 25.899 20.490
157 HB3 CYS 23 HB3 CYS 23 25.626 27.533 21.010
158 H TRP 24 H TRP 24 27.912 29.083 19.601
159 HA TRP 24 HA TRP 24 26.654 30.972 17.846
160 HB2 TRP 24 HB2 TRP 24 28.135 32.472 18.652
161 HB3 TRP 24 HB3 TRP 24 28.209 31.303 19.935
162 HD1 TRP 24 HD1 TRP 24 30.537 29.861 20.082
163 HE1 TRP 24 HE1 TRP 24 32.936 30.400 19.274
164 HE3 TRP 24 HE3 TRP 24 29.480 33.649 16.787
165 HZ2 TRP 24 HZ2 TRP 24 34.207 32.269 17.525
166 HZ3 TRP 24 HZ3 TRP 24 31.312 34.782 15.555
167 HH2 TRP 24 HH2 TRP 24 33.678 34.120 15.929
168 H GLY 25 H GLY 25 27.645 32.071 15.991
169 HA2 GLY 25 HA2 GLY 25 29.308 32.143 14.229
170 HA3 GLY 25 HA3 GLY 25 29.503 30.404 14.336
171 H ILE 26 H ILE 26 29.171 30.293 12.012
172 HA ILE 26 HA ILE 26 26.437 30.831 10.991
173 HB ILE 26 HB ILE 26 28.844 29.614 9.597
174 HG12 ILE 26 HG12 ILE 26 27.447 32.324 9.363
175 HG13 ILE 26 HG13 ILE 26 29.009 32.040 10.126
176 HG21 ILE 26 HG21 ILE 26 26.695 28.700 8.699
177 HG22 ILE 26 HG22 ILE 26 26.084 30.361 8.513
178 HG23 ILE 26 HG23 ILE 26 27.454 29.775 7.550
179 HD11 ILE 26 HD11 ILE 26 28.411 31.736 7.162
180 HD12 ILE 26 HD12 ILE 26 29.364 32.987 7.960
181 HD13 ILE 26 HD13 ILE 26 29.952 31.315 7.951
182 H GLN 27 H GLN 27 25.068 29.603 12.055
183 HA GLN 27 HA GLN 27 25.180 26.655 11.724
184 HB2 GLN 27 HB2 GLN 27 26.220 27.113 13.876
185 HB3 GLN 27 HB3 GLN 27 24.905 28.148 14.358
186 HG2 GLN 27 HG2 GLN 27 24.808 26.020 15.526
187 HG3 GLN 27 HG3 GLN 27 23.383 26.249 14.511
188 HE21 GLN 27 HE21 GLN 27 25.574 22.924 13.969
189 HE22 GLN 27 HE22 GLN 27 25.958 24.056 15.264
190 H TYR 28 H TYR 28 23.227 25.666 11.700
191 HA TYR 28 HA TYR 28 20.738 27.325 11.487
192 HB2 TYR 28 HB2 TYR 28 21.759 25.158 9.587
193 HB3 TYR 28 HB3 TYR 28 20.183 25.914 9.494
194 HD1 TYR 28 HD1 TYR 28 23.746 26.313 8.718
195 HD2 TYR 28 HD2 TYR 28 19.914 28.303 8.918
196 HE1 TYR 28 HE1 TYR 28 24.657 28.211 7.378
197 HE2 TYR 28 HE2 TYR 28 20.837 30.189 7.592
198 HH TYR 28 HH TYR 28 24.201 30.328 6.418
199 H LYS 29 H LYS 29 22.168 24.793 13.109
200 HA LYS 29 HA LYS 29 19.619 23.432 13.812
201 HB2 LYS 29 HB2 LYS 29 22.165 22.068 12.813
202 HB3 LYS 29 HB3 LYS 29 20.771 21.239 13.506
203 HG2 LYS 29 HG2 LYS 29 19.346 22.086 11.652
204 HG3 LYS 29 HG3 LYS 29 20.786 22.806 10.894
205 HD2 LYS 29 HD2 LYS 29 21.838 20.578 10.763
206 HD3 LYS 29 HD3 LYS 29 20.426 19.845 11.552
207 HE2 LYS 29 HE2 LYS 29 18.983 20.591 9.693
208 HE3 LYS 29 HE3 LYS 29 20.373 21.339 8.882
209 HZ1 LYS 29 HZ1 LYS 29 20.200 18.453 9.552
210 HZ2 LYS 29 HZ2 LYS 29 19.834 19.072 8.069
211 HZ3 LYS 29 HZ3 LYS 29 21.376 19.148 8.661
212 H TYR 30 H TYR 30 20.340 21.620 15.482
213 HA TYR 30 HA TYR 30 21.184 22.762 17.896
214 HB2 TYR 30 HB2 TYR 30 19.781 20.754 17.595
215 HB3 TYR 30 HB3 TYR 30 21.162 19.864 16.987
216 HD1 TYR 30 HD1 TYR 30 22.579 18.679 18.488
217 HD2 TYR 30 HD2 TYR 30 19.843 21.662 20.008
218 HE1 TYR 30 HE1 TYR 30 23.051 17.931 20.809
219 HE2 TYR 30 HE2 TYR 30 20.333 20.911 22.343
220 HH TYR 30 HH TYR 30 22.854 18.517 23.032
221 H CYS 31 H CYS 31 23.015 22.431 19.204
222 HA CYS 31 HA CYS 31 25.437 23.163 18.058
223 HB2 CYS 31 HB2 CYS 31 26.314 22.865 20.363
224 HB3 CYS 31 HB3 CYS 31 24.766 23.696 20.292
225 H GLN 32 H GLN 32 27.576 22.242 18.382
226 HA GLN 32 HA GLN 32 27.808 19.291 18.021
227 HB2 GLN 32 HB2 GLN 32 29.352 19.510 16.242
228 HB3 GLN 32 HB3 GLN 32 27.929 20.454 15.835
229 HG2 GLN 32 HG2 GLN 32 29.342 22.476 16.841
230 HG3 GLN 32 HG3 GLN 32 30.707 21.403 16.554
231 HE21 GLN 32 HE21 GLN 32 28.709 23.171 13.409
232 HE22 GLN 32 HE22 GLN 32 28.209 23.384 15.079
233 H CYS 33 H CYS 33 29.989 18.460 18.535
234 HA CYS 33 HA CYS 33 31.281 20.022 20.724
235 HB2 CYS 33 HB2 CYS 33 30.867 17.133 21.159
236 HB3 CYS 33 HB3 CYS 33 30.806 18.477 22.308
237 H GLN 34 H GLN 34 33.197 19.002 21.658
238 HA GLN 34 HA GLN 34 35.101 18.039 19.597
239 HB2 GLN 34 HB2 GLN 34 35.463 19.405 22.291
240 HB3 GLN 34 HB3 GLN 34 36.800 18.718 21.356
241 HG2 GLN 34 HG2 GLN 34 36.111 20.159 19.412
242 HG3 GLN 34 HG3 GLN 34 34.942 20.953 20.453
243 HE21 GLN 34 HE21 GLN 34 38.073 23.006 20.378
244 HE22 GLN 34 HE22 GLN 34 36.942 22.419 19.152
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 15.633 22.406 22.285
2 H2 GLY 1 H2 GLY 1 14.124 21.798 22.494
3 H3 GLY 1 H3 GLY 1 14.474 22.665 21.142
4 HA2 GLY 1 HA2 GLY 1 15.497 20.004 21.881
5 HA3 GLY 1 HA3 GLY 1 14.408 20.368 20.529
6 H SER 2 H SER 2 15.405 22.183 19.017
7 HA SER 2 HA SER 2 18.210 21.375 18.411
8 HB2 SER 2 HB2 SER 2 16.068 22.172 16.441
9 HB3 SER 2 HB3 SER 2 17.701 21.599 16.069
10 HG SER 2 HG SER 2 16.133 19.917 15.922
11 H ALA 3 H ALA 3 16.470 24.079 19.436
12 HA ALA 3 HA ALA 3 18.053 26.119 18.085
13 HB1 ALA 3 HB1 ALA 3 16.348 26.208 20.608
14 HB2 ALA 3 HB2 ALA 3 17.023 27.611 19.752
15 HB3 ALA 3 HB3 ALA 3 15.804 26.596 18.957
16 H CYS 4 H CYS 4 19.749 27.359 19.014
17 HA CYS 4 HA CYS 4 21.700 25.891 20.511
18 HB2 CYS 4 HB2 CYS 4 21.430 28.775 19.628
19 HB3 CYS 4 HB3 CYS 4 22.744 28.266 20.676
20 H GLN 5 H GLN 5 22.645 26.277 22.546
21 HA GLN 5 HA GLN 5 20.865 27.479 24.634
22 HB2 GLN 5 HB2 GLN 5 22.513 24.929 24.784
23 HB3 GLN 5 HB3 GLN 5 21.562 25.623 26.092
24 HG2 GLN 5 HG2 GLN 5 19.496 25.329 24.771
25 HG3 GLN 5 HG3 GLN 5 20.406 24.603 23.449
26 HE21 GLN 5 HE21 GLN 5 19.005 21.965 25.858
27 HE22 GLN 5 HE22 GLN 5 18.228 23.430 25.214
28 H PHE 6 H PHE 6 21.865 28.412 26.470
29 HA PHE 6 HA PHE 6 24.304 29.805 25.986
30 HB2 PHE 6 HB2 PHE 6 22.765 29.273 28.542
31 HB3 PHE 6 HB3 PHE 6 24.155 30.352 28.452
32 HD1 PHE 6 HD1 PHE 6 23.782 31.920 25.991
33 HD2 PHE 6 HD2 PHE 6 20.910 30.676 28.959
34 HE1 PHE 6 HE1 PHE 6 22.353 33.854 25.429
35 HE2 PHE 6 HE2 PHE 6 19.480 32.617 28.371
36 HZ PHE 6 HZ PHE 6 20.198 34.208 26.600
37 H TRP 7 H TRP 7 23.726 27.060 28.202
38 HA TRP 7 HA TRP 7 26.569 26.222 27.908
39 HB2 TRP 7 HB2 TRP 7 26.876 26.055 30.290
40 HB3 TRP 7 HB3 TRP 7 26.463 27.704 29.864
41 HD1 TRP 7 HD1 TRP 7 24.376 28.745 30.983
42 HE1 TRP 7 HE1 TRP 7 22.678 27.983 32.757
43 HE3 TRP 7 HE3 TRP 7 25.639 23.789 31.267
44 HZ2 TRP 7 HZ2 TRP 7 21.769 25.504 33.896
45 HZ3 TRP 7 HZ3 TRP 7 24.334 22.247 32.713
46 HH2 TRP 7 HH2 TRP 7 22.390 23.084 34.004
47 H SER 8 H SER 8 23.217 25.331 28.465
48 HA SER 8 HA SER 8 23.667 22.679 29.371
49 HB2 SER 8 HB2 SER 8 21.507 23.874 29.449
50 HB3 SER 8 HB3 SER 8 21.322 23.626 27.706
51 HG SER 8 HG SER 8 20.606 22.037 29.646
52 H CYS 9 H CYS 9 24.014 23.938 26.119
53 HA CYS 9 HA CYS 9 24.079 21.496 24.616
54 HB2 CYS 9 HB2 CYS 9 25.298 24.250 24.317
55 HB3 CYS 9 HB3 CYS 9 25.928 22.927 23.356
56 H ASN 10 H ASN 10 26.667 23.289 26.267
57 HA ASN 10 HA ASN 10 28.796 21.563 25.770
58 HB2 ASN 10 HB2 ASN 10 28.415 23.294 28.248
59 HB3 ASN 10 HB3 ASN 10 29.924 22.857 27.469
60 HD21 ASN 10 HD21 ASN 10 29.862 25.941 25.767
61 HD22 ASN 10 HD22 ASN 10 30.807 24.592 26.401
62 H SER 11 H SER 11 26.665 21.697 28.662
63 HA SER 11 HA SER 11 27.761 19.402 29.985
64 HB2 SER 11 HB2 SER 11 26.388 21.194 31.045
65 HB3 SER 11 HB3 SER 11 24.959 20.555 30.209
66 HG SER 11 HG SER 11 26.567 19.378 32.222
67 H SER 12 H SER 12 25.068 19.677 27.649
68 HA SER 12 HA SER 12 24.227 16.945 27.698
69 HB2 SER 12 HB2 SER 12 22.865 18.746 26.782
70 HB3 SER 12 HB3 SER 12 24.072 19.076 25.530
71 HG SER 12 HG SER 12 22.183 17.764 24.994
72 H CYS 13 H CYS 13 26.633 18.639 25.587
73 HA CYS 13 HA CYS 13 27.474 16.330 24.131
74 HB2 CYS 13 HB2 CYS 13 28.874 18.903 24.954
75 HB3 CYS 13 HB3 CYS 13 29.657 17.694 23.977
76 H ILE 14 H ILE 14 28.694 17.638 27.294
77 HA ILE 14 HA ILE 14 30.609 15.578 27.735
78 HB ILE 14 HB ILE 14 29.054 17.374 29.606
79 HG12 ILE 14 HG12 ILE 14 32.015 17.412 28.893
80 HG13 ILE 14 HG13 ILE 14 30.838 18.232 27.893
81 HG21 ILE 14 HG21 ILE 14 30.703 16.763 31.376
82 HG22 ILE 14 HG22 ILE 14 29.664 15.417 30.946
83 HG23 ILE 14 HG23 ILE 14 31.332 15.479 30.329
84 HD11 ILE 14 HD11 ILE 14 31.781 19.833 29.390
85 HD12 ILE 14 HD12 ILE 14 30.087 19.587 29.839
86 HD13 ILE 14 HD13 ILE 14 31.381 18.853 30.811
87 H SER 15 H SER 15 27.088 15.566 28.423
88 HA SER 15 HA SER 15 27.079 12.955 29.598
89 HB2 SER 15 HB2 SER 15 25.130 14.289 29.892
90 HB3 SER 15 HB3 SER 15 24.951 14.588 28.171
91 HG SER 15 HG SER 15 23.497 13.036 29.108
92 H ARG 16 H ARG 16 26.847 13.920 26.160
93 HA ARG 16 HA ARG 16 26.786 11.158 25.182
94 HB2 ARG 16 HB2 ARG 16 27.626 13.685 23.740
95 HB3 ARG 16 HB3 ARG 16 27.207 12.151 22.994
96 HG2 ARG 16 HG2 ARG 16 25.313 14.057 24.424
97 HG3 ARG 16 HG3 ARG 16 25.462 13.790 22.711
98 HD2 ARG 16 HD2 ARG 16 23.583 12.586 23.212
99 HD3 ARG 16 HD3 ARG 16 24.808 11.311 23.228
100 HE ARG 16 HE ARG 16 24.781 12.086 25.842
101 HH11 ARG 16 HH11 ARG 16 22.072 11.258 23.746
102 HH12 ARG 16 HH12 ARG 16 21.008 11.024 25.112
103 HH21 ARG 16 HH21 ARG 16 23.425 11.524 27.503
104 HH22 ARG 16 HH22 ARG 16 21.880 10.784 27.126
105 H GLY 17 H GLY 17 29.270 12.626 26.829
106 HA2 GLY 17 HA2 GLY 17 31.293 11.576 27.320
107 HA3 GLY 17 HA3 GLY 17 31.171 10.582 25.864
108 H TYR 18 H TYR 18 30.728 14.002 25.435
109 HA TYR 18 HA TYR 18 33.366 14.256 24.090
110 HB2 TYR 18 HB2 TYR 18 30.951 16.049 24.131
111 HB3 TYR 18 HB3 TYR 18 32.385 16.373 23.205
112 HD1 TYR 18 HD1 TYR 18 33.121 14.349 21.539
113 HD2 TYR 18 HD2 TYR 18 29.147 15.081 23.010
114 HE1 TYR 18 HE1 TYR 18 32.177 13.094 19.614
115 HE2 TYR 18 HE2 TYR 18 28.195 13.822 21.091
116 HH TYR 18 HH TYR 18 30.250 12.256 18.621
117 H ARG 19 H ARG 19 34.332 16.546 24.349
118 HA ARG 19 HA ARG 19 34.911 16.991 27.249
119 HB2 ARG 19 HB2 ARG 19 36.167 18.140 24.718
120 HB3 ARG 19 HB3 ARG 19 36.776 18.327 26.357
121 HG2 ARG 19 HG2 ARG 19 37.295 15.938 26.507
122 HG3 ARG 19 HG3 ARG 19 36.516 15.633 24.944
123 HD2 ARG 19 HD2 ARG 19 38.150 17.256 23.891
124 HD3 ARG 19 HD3 ARG 19 39.004 17.289 25.436
125 HE ARG 19 HE ARG 19 39.601 14.989 25.168
126 HH11 ARG 19 HH11 ARG 19 37.803 16.017 22.294
127 HH12 ARG 19 HH12 ARG 19 38.469 14.665 21.392
128 HH21 ARG 19 HH21 ARG 19 40.558 13.553 23.779
129 HH22 ARG 19 HH22 ARG 19 39.899 13.377 22.157
130 H GLN 20 H GLN 20 33.772 18.736 24.441
131 HA GLN 20 HA GLN 20 32.402 20.874 25.937
132 HB2 GLN 20 HB2 GLN 20 34.640 21.760 25.956
133 HB3 GLN 20 HB3 GLN 20 34.949 21.199 24.321
134 HG2 GLN 20 HG2 GLN 20 34.825 23.492 24.150
135 HG3 GLN 20 HG3 GLN 20 33.330 22.950 23.450
136 HE21 GLN 20 HE21 GLN 20 32.808 25.923 25.774
137 HE22 GLN 20 HE22 GLN 20 33.883 25.587 24.424
138 H GLY 21 H GLY 21 30.805 21.855 24.618
139 HA2 GLY 21 HA2 GLY 21 30.940 21.693 21.695
140 HA3 GLY 21 HA3 GLY 21 29.525 20.926 22.438
141 H LYS 22 H LYS 22 30.254 23.596 20.859
142 HA LYS 22 HA LYS 22 28.672 25.472 22.585
143 HB2 LYS 22 HB2 LYS 22 31.016 25.837 22.879
144 HB3 LYS 22 HB3 LYS 22 31.304 25.814 21.130
145 HG2 LYS 22 HG2 LYS 22 30.219 27.918 20.808
146 HG3 LYS 22 HG3 LYS 22 29.513 27.896 22.436
147 HD2 LYS 22 HD2 LYS 22 31.408 29.434 22.271
148 HD3 LYS 22 HD3 LYS 22 31.704 28.126 23.443
149 HE2 LYS 22 HE2 LYS 22 33.137 26.959 21.896
150 HE3 LYS 22 HE3 LYS 22 32.742 28.087 20.585
151 HZ1 LYS 22 HZ1 LYS 22 34.887 28.563 21.711
152 HZ2 LYS 22 HZ2 LYS 22 33.857 29.832 21.715
153 HZ3 LYS 22 HZ3 LYS 22 34.080 28.948 23.092
154 H CYS 23 H CYS 23 27.367 26.982 21.560
155 HA CYS 23 HA CYS 23 26.706 26.575 18.714
156 HB2 CYS 23 HB2 CYS 23 25.002 27.148 20.437
157 HB3 CYS 23 HB3 CYS 23 25.793 28.709 20.675
158 H TRP 24 H TRP 24 27.863 27.499 17.081
159 HA TRP 24 HA TRP 24 28.717 30.315 17.301
160 HB2 TRP 24 HB2 TRP 24 31.032 29.934 16.774
161 HB3 TRP 24 HB3 TRP 24 30.629 29.146 18.284
162 HD1 TRP 24 HD1 TRP 24 30.784 26.514 18.368
163 HE1 TRP 24 HE1 TRP 24 31.755 24.720 16.840
164 HE3 TRP 24 HE3 TRP 24 31.570 29.359 14.176
165 HZ2 TRP 24 HZ2 TRP 24 32.969 24.576 14.220
166 HZ3 TRP 24 HZ3 TRP 24 32.614 28.342 12.161
167 HH2 TRP 24 HH2 TRP 24 33.337 25.971 12.177
168 H GLY 25 H GLY 25 28.285 27.450 15.220
169 HA2 GLY 25 HA2 GLY 25 28.991 28.860 12.768
170 HA3 GLY 25 HA3 GLY 25 28.291 27.254 12.907
171 H ILE 26 H ILE 26 27.578 29.202 10.939
172 HA ILE 26 HA ILE 26 24.840 30.097 11.537
173 HB ILE 26 HB ILE 26 26.317 29.862 8.889
174 HG12 ILE 26 HG12 ILE 26 27.496 31.464 10.263
175 HG13 ILE 26 HG13 ILE 26 26.620 32.295 9.000
176 HG21 ILE 26 HG21 ILE 26 23.706 31.255 9.601
177 HG22 ILE 26 HG22 ILE 26 24.587 31.458 8.067
178 HG23 ILE 26 HG23 ILE 26 23.926 29.881 8.500
179 HD11 ILE 26 HD11 ILE 26 26.485 33.541 11.080
180 HD12 ILE 26 HD12 ILE 26 24.870 32.938 10.679
181 HD13 ILE 26 HD13 ILE 26 25.833 32.137 11.940
182 H GLN 27 H GLN 27 23.689 28.341 12.218
183 HA GLN 27 HA GLN 27 23.014 26.184 10.410
184 HB2 GLN 27 HB2 GLN 27 25.255 25.492 11.044
185 HB3 GLN 27 HB3 GLN 27 24.884 25.605 12.758
186 HG2 GLN 27 HG2 GLN 27 23.598 23.633 12.733
187 HG3 GLN 27 HG3 GLN 27 23.248 23.783 11.014
188 HE21 GLN 27 HE21 GLN 27 25.717 21.445 10.265
189 HE22 GLN 27 HE22 GLN 27 24.014 21.878 10.194
190 H TYR 28 H TYR 28 21.088 25.326 10.901
191 HA TYR 28 HA TYR 28 19.637 26.351 13.250
192 HB2 TYR 28 HB2 TYR 28 18.683 24.793 10.822
193 HB3 TYR 28 HB3 TYR 28 17.649 25.552 12.019
194 HD1 TYR 28 HD1 TYR 28 18.669 25.946 8.783
195 HD2 TYR 28 HD2 TYR 28 18.404 28.210 12.449
196 HE1 TYR 28 HE1 TYR 28 18.455 28.049 7.471
197 HE2 TYR 28 HE2 TYR 28 18.209 30.306 11.139
198 HH TYR 28 HH TYR 28 18.210 30.327 7.550
199 H LYS 29 H LYS 29 21.460 23.693 13.089
200 HA LYS 29 HA LYS 29 19.610 21.806 14.486
201 HB2 LYS 29 HB2 LYS 29 22.358 21.488 13.231
202 HB3 LYS 29 HB3 LYS 29 21.657 20.273 14.302
203 HG2 LYS 29 HG2 LYS 29 19.617 20.223 12.776
204 HG3 LYS 29 HG3 LYS 29 20.555 21.174 11.616
205 HD2 LYS 29 HD2 LYS 29 21.316 18.438 12.753
206 HD3 LYS 29 HD3 LYS 29 20.630 18.738 11.148
207 HE2 LYS 29 HE2 LYS 29 22.594 20.086 10.530
208 HE3 LYS 29 HE3 LYS 29 23.302 19.845 12.134
209 HZ1 LYS 29 HZ1 LYS 29 22.672 17.613 10.276
210 HZ2 LYS 29 HZ2 LYS 29 24.158 18.322 10.402
211 HZ3 LYS 29 HZ3 LYS 29 23.522 17.525 11.678
212 H TYR 30 H TYR 30 20.540 20.583 16.303
213 HA TYR 30 HA TYR 30 21.272 22.292 18.497
214 HB2 TYR 30 HB2 TYR 30 19.994 20.090 18.577
215 HB3 TYR 30 HB3 TYR 30 21.518 19.269 18.299
216 HD1 TYR 30 HD1 TYR 30 19.756 21.642 20.604
217 HD2 TYR 30 HD2 TYR 30 22.985 18.811 20.157
218 HE1 TYR 30 HE1 TYR 30 20.117 21.669 23.054
219 HE2 TYR 30 HE2 TYR 30 23.363 18.877 22.620
220 HH TYR 30 HH TYR 30 21.620 21.092 24.759
221 H CYS 31 H CYS 31 23.243 22.000 19.866
222 HA CYS 31 HA CYS 31 25.478 22.769 18.350
223 HB2 CYS 31 HB2 CYS 31 25.450 21.778 21.212
224 HB3 CYS 31 HB3 CYS 31 26.708 22.745 20.455
225 H GLN 32 H GLN 32 27.447 21.925 17.911
226 HA GLN 32 HA GLN 32 27.776 18.954 17.923
227 HB2 GLN 32 HB2 GLN 32 29.302 21.043 16.315
228 HB3 GLN 32 HB3 GLN 32 29.448 19.285 16.213
229 HG2 GLN 32 HG2 GLN 32 26.953 19.245 15.617
230 HG3 GLN 32 HG3 GLN 32 27.043 21.002 15.474
231 HE21 GLN 32 HE21 GLN 32 27.385 19.723 12.073
232 HE22 GLN 32 HE22 GLN 32 26.144 19.958 13.320
233 H CYS 33 H CYS 33 30.075 18.225 18.364
234 HA CYS 33 HA CYS 33 31.242 19.852 20.570
235 HB2 CYS 33 HB2 CYS 33 30.998 16.964 21.044
236 HB3 CYS 33 HB3 CYS 33 30.833 18.331 22.162
237 H GLN 34 H GLN 34 33.179 18.829 21.528
238 HA GLN 34 HA GLN 34 35.068 17.551 19.649
239 HB2 GLN 34 HB2 GLN 34 36.679 19.401 19.961
240 HB3 GLN 34 HB3 GLN 34 35.230 19.906 19.114
241 HG2 GLN 34 HG2 GLN 34 34.366 21.044 21.080
242 HG3 GLN 34 HG3 GLN 34 35.629 20.353 22.101
243 HE21 GLN 34 HE21 GLN 34 38.107 22.738 21.097
244 HE22 GLN 34 HE22 GLN 34 37.902 21.091 21.715
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 9.896 30.981 16.725
2 H2 GLY 1 H2 GLY 1 9.998 30.781 15.078
3 H3 GLY 1 H3 GLY 1 11.089 31.721 15.904
4 HA2 GLY 1 HA2 GLY 1 10.781 28.816 16.238
5 HA3 GLY 1 HA3 GLY 1 12.054 29.604 15.290
6 H SER 2 H SER 2 12.877 27.919 17.228
7 HA SER 2 HA SER 2 13.433 29.301 19.720
8 HB2 SER 2 HB2 SER 2 14.431 27.229 20.426
9 HB3 SER 2 HB3 SER 2 12.849 26.908 19.668
10 HG SER 2 HG SER 2 15.289 25.985 19.032
11 H ALA 3 H ALA 3 15.743 29.104 20.606
12 HA ALA 3 HA ALA 3 17.859 29.622 18.589
13 HB1 ALA 3 HB1 ALA 3 17.386 31.172 21.159
14 HB2 ALA 3 HB2 ALA 3 18.727 31.422 20.013
15 HB3 ALA 3 HB3 ALA 3 17.051 31.778 19.516
16 H CYS 4 H CYS 4 20.073 29.298 19.496
17 HA CYS 4 HA CYS 4 20.219 26.710 20.653
18 HB2 CYS 4 HB2 CYS 4 21.746 27.836 19.004
19 HB3 CYS 4 HB3 CYS 4 22.481 28.711 20.335
20 H GLN 5 H GLN 5 20.996 25.908 22.633
21 HA GLN 5 HA GLN 5 20.171 27.379 24.933
22 HB2 GLN 5 HB2 GLN 5 21.494 24.717 24.428
23 HB3 GLN 5 HB3 GLN 5 21.476 25.335 26.072
24 HG2 GLN 5 HG2 GLN 5 18.922 25.138 24.427
25 HG3 GLN 5 HG3 GLN 5 19.545 23.803 25.384
26 HE21 GLN 5 HE21 GLN 5 17.559 25.093 28.032
27 HE22 GLN 5 HE22 GLN 5 17.614 23.875 26.761
28 H PHE 6 H PHE 6 21.262 28.028 26.806
29 HA PHE 6 HA PHE 6 23.505 29.716 26.326
30 HB2 PHE 6 HB2 PHE 6 22.443 28.743 29.006
31 HB3 PHE 6 HB3 PHE 6 23.431 30.143 28.718
32 HD1 PHE 6 HD1 PHE 6 20.019 28.741 28.490
33 HD2 PHE 6 HD2 PHE 6 22.486 32.189 27.674
34 HE1 PHE 6 HE1 PHE 6 17.980 30.141 28.197
35 HE2 PHE 6 HE2 PHE 6 20.453 33.591 27.422
36 HZ PHE 6 HZ PHE 6 18.201 32.557 27.674
37 H TRP 7 H TRP 7 23.367 26.718 28.301
38 HA TRP 7 HA TRP 7 26.022 25.889 27.399
39 HB2 TRP 7 HB2 TRP 7 27.031 25.775 29.652
40 HB3 TRP 7 HB3 TRP 7 26.751 27.402 29.090
41 HD1 TRP 7 HD1 TRP 7 25.335 28.976 30.492
42 HE1 TRP 7 HE1 TRP 7 24.232 28.867 32.805
43 HE3 TRP 7 HE3 TRP 7 25.774 23.947 31.348
44 HZ2 TRP 7 HZ2 TRP 7 23.533 26.835 34.730
45 HZ3 TRP 7 HZ3 TRP 7 24.899 22.952 33.454
46 HH2 TRP 7 HH2 TRP 7 23.759 24.382 35.138
47 H SER 8 H SER 8 22.941 24.962 28.413
48 HA SER 8 HA SER 8 23.476 22.536 29.767
49 HB2 SER 8 HB2 SER 8 21.219 21.895 29.161
50 HB3 SER 8 HB3 SER 8 21.259 23.608 29.597
51 HG SER 8 HG SER 8 20.990 22.416 27.034
52 H CYS 9 H CYS 9 23.739 23.259 26.300
53 HA CYS 9 HA CYS 9 23.863 20.539 25.347
54 HB2 CYS 9 HB2 CYS 9 23.491 22.530 23.884
55 HB3 CYS 9 HB3 CYS 9 25.140 23.067 24.251
56 H ASN 10 H ASN 10 26.406 22.840 26.516
57 HA ASN 10 HA ASN 10 28.589 21.097 25.915
58 HB2 ASN 10 HB2 ASN 10 28.637 23.624 26.438
59 HB3 ASN 10 HB3 ASN 10 28.567 23.182 28.145
60 HD21 ASN 10 HD21 ASN 10 32.082 22.750 28.129
61 HD22 ASN 10 HD22 ASN 10 30.642 23.143 29.048
62 H SER 11 H SER 11 26.695 21.525 28.948
63 HA SER 11 HA SER 11 28.122 19.538 30.441
64 HB2 SER 11 HB2 SER 11 26.647 21.192 31.496
65 HB3 SER 11 HB3 SER 11 25.232 20.403 30.768
66 HG SER 11 HG SER 11 26.073 19.851 33.067
67 H SER 12 H SER 12 25.255 19.204 28.295
68 HA SER 12 HA SER 12 24.810 16.396 28.677
69 HB2 SER 12 HB2 SER 12 23.168 17.787 27.540
70 HB3 SER 12 HB3 SER 12 24.333 18.225 26.284
71 HG SER 12 HG SER 12 22.953 15.816 26.704
72 H CYS 13 H CYS 13 26.894 18.132 26.290
73 HA CYS 13 HA CYS 13 27.829 15.773 25.003
74 HB2 CYS 13 HB2 CYS 13 29.152 18.507 25.381
75 HB3 CYS 13 HB3 CYS 13 29.730 17.297 24.281
76 H ILE 14 H ILE 14 29.244 17.552 27.828
77 HA ILE 14 HA ILE 14 31.480 15.788 28.127
78 HB ILE 14 HB ILE 14 29.978 17.538 30.105
79 HG12 ILE 14 HG12 ILE 14 32.755 17.916 28.858
80 HG13 ILE 14 HG13 ILE 14 31.308 18.553 28.124
81 HG21 ILE 14 HG21 ILE 14 32.600 15.980 30.493
82 HG22 ILE 14 HG22 ILE 14 32.006 17.252 31.584
83 HG23 ILE 14 HG23 ILE 14 31.086 15.772 31.404
84 HD11 ILE 14 HD11 ILE 14 32.342 20.315 29.379
85 HD12 ILE 14 HD12 ILE 14 30.794 19.887 30.156
86 HD13 ILE 14 HD13 ILE 14 32.341 19.345 30.853
87 H SER 15 H SER 15 28.077 15.506 29.343
88 HA SER 15 HA SER 15 28.605 13.030 30.677
89 HB2 SER 15 HB2 SER 15 25.935 13.923 29.506
90 HB3 SER 15 HB3 SER 15 26.192 12.760 30.813
91 HG SER 15 HG SER 15 27.033 14.477 32.099
92 H ARG 16 H ARG 16 27.545 13.612 27.299
93 HA ARG 16 HA ARG 16 27.514 10.862 26.466
94 HB2 ARG 16 HB2 ARG 16 28.282 13.418 24.990
95 HB3 ARG 16 HB3 ARG 16 28.148 11.872 24.191
96 HG2 ARG 16 HG2 ARG 16 25.814 13.278 25.566
97 HG3 ARG 16 HG3 ARG 16 26.231 13.388 23.853
98 HD2 ARG 16 HD2 ARG 16 24.582 11.744 23.875
99 HD3 ARG 16 HD3 ARG 16 26.081 10.823 23.778
100 HE ARG 16 HE ARG 16 25.171 11.324 26.512
101 HH11 ARG 16 HH11 ARG 16 24.854 8.976 23.832
102 HH12 ARG 16 HH12 ARG 16 24.038 7.830 24.858
103 HH21 ARG 16 HH21 ARG 16 24.308 9.780 27.690
104 HH22 ARG 16 HH22 ARG 16 23.876 8.186 27.055
105 H GLY 17 H GLY 17 30.230 12.635 27.599
106 HA2 GLY 17 HA2 GLY 17 32.430 11.883 27.813
107 HA3 GLY 17 HA3 GLY 17 32.114 10.537 26.720
108 H TYR 18 H TYR 18 31.117 13.684 25.612
109 HA TYR 18 HA TYR 18 33.351 13.813 23.632
110 HB2 TYR 18 HB2 TYR 18 30.786 15.410 23.933
111 HB3 TYR 18 HB3 TYR 18 32.040 15.856 22.817
112 HD1 TYR 18 HD1 TYR 18 32.910 13.773 21.273
113 HD2 TYR 18 HD2 TYR 18 28.975 14.228 22.961
114 HE1 TYR 18 HE1 TYR 18 32.006 12.200 19.581
115 HE2 TYR 18 HE2 TYR 18 28.061 12.664 21.249
116 HH TYR 18 HH TYR 18 30.212 10.837 19.068
117 H ARG 19 H ARG 19 34.129 16.273 23.417
118 HA ARG 19 HA ARG 19 35.102 16.962 26.165
119 HB2 ARG 19 HB2 ARG 19 36.300 17.570 23.449
120 HB3 ARG 19 HB3 ARG 19 36.887 18.177 25.007
121 HG2 ARG 19 HG2 ARG 19 37.079 15.780 25.808
122 HG3 ARG 19 HG3 ARG 19 36.709 15.265 24.160
123 HD2 ARG 19 HD2 ARG 19 38.755 16.398 23.341
124 HD3 ARG 19 HD3 ARG 19 39.090 16.970 24.987
125 HE ARG 19 HE ARG 19 38.804 14.043 24.652
126 HH11 ARG 19 HH11 ARG 19 41.254 16.594 24.572
127 HH12 ARG 19 HH12 ARG 19 42.442 15.505 25.271
128 HH21 ARG 19 HH21 ARG 19 40.547 12.750 25.272
129 HH22 ARG 19 HH22 ARG 19 42.104 13.540 25.546
130 H GLN 20 H GLN 20 33.711 18.602 23.312
131 HA GLN 20 HA GLN 20 32.254 20.335 25.193
132 HB2 GLN 20 HB2 GLN 20 34.261 21.535 23.240
133 HB3 GLN 20 HB3 GLN 20 32.869 22.426 23.834
134 HG2 GLN 20 HG2 GLN 20 33.675 22.021 26.193
135 HG3 GLN 20 HG3 GLN 20 35.185 21.418 25.492
136 HE21 GLN 20 HE21 GLN 20 35.285 25.191 26.115
137 HE22 GLN 20 HE22 GLN 20 34.405 23.997 27.087
138 H GLY 21 H GLY 21 30.442 21.272 24.436
139 HA2 GLY 21 HA2 GLY 21 29.654 21.020 21.556
140 HA3 GLY 21 HA3 GLY 21 28.501 20.790 22.870
141 H LYS 22 H LYS 22 29.616 22.968 20.669
142 HA LYS 22 HA LYS 22 28.956 25.401 22.298
143 HB2 LYS 22 HB2 LYS 22 31.174 24.881 20.309
144 HB3 LYS 22 HB3 LYS 22 30.667 26.519 20.754
145 HG2 LYS 22 HG2 LYS 22 31.162 26.127 23.090
146 HG3 LYS 22 HG3 LYS 22 31.531 24.429 22.806
147 HD2 LYS 22 HD2 LYS 22 33.138 26.734 21.616
148 HD3 LYS 22 HD3 LYS 22 33.523 25.899 23.127
149 HE2 LYS 22 HE2 LYS 22 33.523 23.717 21.805
150 HE3 LYS 22 HE3 LYS 22 33.479 24.698 20.329
151 HZ1 LYS 22 HZ1 LYS 22 35.558 24.948 22.431
152 HZ2 LYS 22 HZ2 LYS 22 35.764 24.035 21.085
153 HZ3 LYS 22 HZ3 LYS 22 35.595 25.674 20.960
154 H CYS 23 H CYS 23 27.612 26.868 21.501
155 HA CYS 23 HA CYS 23 25.972 26.333 19.161
156 HB2 CYS 23 HB2 CYS 23 26.168 28.642 21.132
157 HB3 CYS 23 HB3 CYS 23 24.957 28.538 19.849
158 H TRP 24 H TRP 24 27.764 26.306 17.551
159 HA TRP 24 HA TRP 24 28.187 28.972 16.370
160 HB2 TRP 24 HB2 TRP 24 30.467 29.049 16.500
161 HB3 TRP 24 HB3 TRP 24 30.104 28.364 18.064
162 HD1 TRP 24 HD1 TRP 24 30.514 25.636 18.247
163 HE1 TRP 24 HE1 TRP 24 32.306 24.156 17.163
164 HE3 TRP 24 HE3 TRP 24 31.785 28.655 14.310
165 HZ2 TRP 24 HZ2 TRP 24 34.084 24.278 14.896
166 HZ3 TRP 24 HZ3 TRP 24 33.535 27.941 12.699
167 HH2 TRP 24 HH2 TRP 24 34.699 25.766 12.993
168 H GLY 25 H GLY 25 28.890 28.980 14.250
169 HA2 GLY 25 HA2 GLY 25 29.852 27.060 12.628
170 HA3 GLY 25 HA3 GLY 25 28.140 26.646 12.609
171 H ILE 26 H ILE 26 29.879 27.592 10.460
172 HA ILE 26 HA ILE 26 29.149 30.283 9.684
173 HB ILE 26 HB ILE 26 30.268 27.879 8.199
174 HG12 ILE 26 HG12 ILE 26 31.642 30.517 8.889
175 HG13 ILE 26 HG13 ILE 26 31.631 29.156 9.998
176 HG21 ILE 26 HG21 ILE 26 29.868 30.700 7.134
177 HG22 ILE 26 HG22 ILE 26 30.822 29.438 6.330
178 HG23 ILE 26 HG23 ILE 26 29.093 29.221 6.518
179 HD11 ILE 26 HD11 ILE 26 32.855 29.131 7.225
180 HD12 ILE 26 HD12 ILE 26 33.693 29.119 8.782
181 HD13 ILE 26 HD13 ILE 26 32.722 27.715 8.296
182 H GLN 27 H GLN 27 27.796 27.080 9.001
183 HA GLN 27 HA GLN 27 25.354 28.255 7.771
184 HB2 GLN 27 HB2 GLN 27 26.274 25.359 7.987
185 HB3 GLN 27 HB3 GLN 27 24.788 25.937 7.221
186 HG2 GLN 27 HG2 GLN 27 26.353 27.470 5.799
187 HG3 GLN 27 HG3 GLN 27 27.656 26.431 6.345
188 HE21 GLN 27 HE21 GLN 27 26.555 25.213 3.026
189 HE22 GLN 27 HE22 GLN 27 27.363 26.610 3.732
190 H TYR 28 H TYR 28 23.241 27.632 8.564
191 HA TYR 28 HA TYR 28 23.134 27.654 11.495
192 HB2 TYR 28 HB2 TYR 28 20.614 27.680 11.036
193 HB3 TYR 28 HB3 TYR 28 21.589 29.089 10.717
194 HD1 TYR 28 HD1 TYR 28 21.745 30.081 8.546
195 HD2 TYR 28 HD2 TYR 28 19.738 26.303 9.078
196 HE1 TYR 28 HE1 TYR 28 20.711 30.309 6.297
197 HE2 TYR 28 HE2 TYR 28 18.692 26.544 6.832
198 HH TYR 28 HH TYR 28 18.571 27.798 4.912
199 H LYS 29 H LYS 29 22.996 25.983 12.775
200 HA LYS 29 HA LYS 29 21.595 23.540 12.182
201 HB2 LYS 29 HB2 LYS 29 23.734 23.177 10.890
202 HB3 LYS 29 HB3 LYS 29 24.625 23.308 12.423
203 HG2 LYS 29 HG2 LYS 29 23.423 21.317 13.292
204 HG3 LYS 29 HG3 LYS 29 22.434 21.283 11.843
205 HD2 LYS 29 HD2 LYS 29 24.028 19.574 11.574
206 HD3 LYS 29 HD3 LYS 29 24.547 20.886 10.495
207 HE2 LYS 29 HE2 LYS 29 26.223 21.605 12.184
208 HE3 LYS 29 HE3 LYS 29 25.646 20.371 13.300
209 HZ1 LYS 29 HZ1 LYS 29 27.605 19.609 12.142
210 HZ2 LYS 29 HZ2 LYS 29 26.328 18.673 11.692
211 HZ3 LYS 29 HZ3 LYS 29 26.904 19.860 10.672
212 H TYR 30 H TYR 30 20.984 22.568 13.988
213 HA TYR 30 HA TYR 30 21.115 23.600 16.550
214 HB2 TYR 30 HB2 TYR 30 19.494 21.994 15.639
215 HB3 TYR 30 HB3 TYR 30 20.721 20.737 15.632
216 HD1 TYR 30 HD1 TYR 30 18.570 22.868 17.784
217 HD2 TYR 30 HD2 TYR 30 21.259 19.512 17.629
218 HE1 TYR 30 HE1 TYR 30 17.847 22.184 20.061
219 HE2 TYR 30 HE2 TYR 30 20.477 18.779 19.884
220 HH TYR 30 HH TYR 30 17.805 20.400 21.537
221 H CYS 31 H CYS 31 22.105 22.879 18.565
222 HA CYS 31 HA CYS 31 24.910 22.825 18.373
223 HB2 CYS 31 HB2 CYS 31 23.667 23.810 20.204
224 HB3 CYS 31 HB3 CYS 31 23.177 22.227 20.786
225 H GLN 32 H GLN 32 26.423 21.344 18.173
226 HA GLN 32 HA GLN 32 25.960 18.477 18.834
227 HB2 GLN 32 HB2 GLN 32 26.795 19.586 16.129
228 HB3 GLN 32 HB3 GLN 32 26.976 17.890 16.606
229 HG2 GLN 32 HG2 GLN 32 24.583 17.616 16.807
230 HG3 GLN 32 HG3 GLN 32 24.296 19.326 16.515
231 HE21 GLN 32 HE21 GLN 32 23.614 17.800 13.306
232 HE22 GLN 32 HE22 GLN 32 22.849 18.215 14.829
233 H CYS 33 H CYS 33 27.723 17.444 19.584
234 HA CYS 33 HA CYS 33 29.866 19.174 20.482
235 HB2 CYS 33 HB2 CYS 33 29.967 16.263 21.048
236 HB3 CYS 33 HB3 CYS 33 30.185 17.657 22.122
237 H GLN 34 H GLN 34 32.097 18.473 20.727
238 HA GLN 34 HA GLN 34 33.263 16.604 18.757
239 HB2 GLN 34 HB2 GLN 34 34.562 19.255 19.447
240 HB3 GLN 34 HB3 GLN 34 35.106 18.077 18.265
241 HG2 GLN 34 HG2 GLN 34 32.563 19.760 18.021
242 HG3 GLN 34 HG3 GLN 34 34.114 20.176 17.343
243 HE21 GLN 34 HE21 GLN 34 32.086 18.647 14.621
244 HE22 GLN 34 HE22 GLN 34 31.913 20.026 15.687
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 11.097 29.353 18.137
2 H2 GLY 1 H2 GLY 1 11.672 28.083 18.997
3 H3 GLY 1 H3 GLY 1 10.839 27.809 17.611
4 HA2 GLY 1 HA2 GLY 1 12.559 28.779 16.279
5 HA3 GLY 1 HA3 GLY 1 13.437 29.181 17.765
6 H SER 2 H SER 2 14.583 27.563 18.866
7 HA SER 2 HA SER 2 14.478 24.779 17.921
8 HB2 SER 2 HB2 SER 2 16.706 24.625 17.178
9 HB3 SER 2 HB3 SER 2 16.090 26.075 16.384
10 HG SER 2 HG SER 2 17.219 27.342 17.851
11 H ALA 3 H ALA 3 15.983 23.369 19.144
12 HA ALA 3 HA ALA 3 16.072 23.927 21.975
13 HB1 ALA 3 HB1 ALA 3 17.262 21.665 20.325
14 HB2 ALA 3 HB2 ALA 3 17.039 21.670 22.088
15 HB3 ALA 3 HB3 ALA 3 15.624 21.696 21.021
16 H CYS 4 H CYS 4 17.994 25.480 19.862
17 HA CYS 4 HA CYS 4 20.662 24.950 20.666
18 HB2 CYS 4 HB2 CYS 4 19.945 26.174 18.661
19 HB3 CYS 4 HB3 CYS 4 19.344 27.481 19.672
20 H GLN 5 H GLN 5 21.289 24.943 22.804
21 HA GLN 5 HA GLN 5 20.329 26.997 24.686
22 HB2 GLN 5 HB2 GLN 5 22.406 24.845 25.156
23 HB3 GLN 5 HB3 GLN 5 21.566 25.806 26.373
24 HG2 GLN 5 HG2 GLN 5 20.384 23.626 24.613
25 HG3 GLN 5 HG3 GLN 5 20.669 23.563 26.335
26 HE21 GLN 5 HE21 GLN 5 17.178 25.101 24.938
27 HE22 GLN 5 HE22 GLN 5 18.411 24.428 23.876
28 H PHE 6 H PHE 6 21.885 28.338 25.981
29 HA PHE 6 HA PHE 6 23.744 29.777 24.267
30 HB2 PHE 6 HB2 PHE 6 22.316 30.662 26.208
31 HB3 PHE 6 HB3 PHE 6 23.509 30.003 27.289
32 HD1 PHE 6 HD1 PHE 6 22.542 32.850 25.416
33 HD2 PHE 6 HD2 PHE 6 26.053 30.791 26.846
34 HE1 PHE 6 HE1 PHE 6 23.859 34.947 25.213
35 HE2 PHE 6 HE2 PHE 6 27.367 32.864 26.608
36 HZ PHE 6 HZ PHE 6 26.281 34.953 25.782
37 H TRP 7 H TRP 7 24.164 27.845 27.212
38 HA TRP 7 HA TRP 7 26.784 26.774 26.252
39 HB2 TRP 7 HB2 TRP 7 27.876 27.290 28.348
40 HB3 TRP 7 HB3 TRP 7 27.256 28.787 27.671
41 HD1 TRP 7 HD1 TRP 7 25.340 30.029 29.006
42 HE1 TRP 7 HE1 TRP 7 24.276 29.775 31.310
43 HE3 TRP 7 HE3 TRP 7 27.340 25.490 30.301
44 HZ2 TRP 7 HZ2 TRP 7 24.263 27.825 33.450
45 HZ3 TRP 7 HZ3 TRP 7 26.748 24.439 32.470
46 HH2 TRP 7 HH2 TRP 7 25.216 25.592 34.047
47 H SER 8 H SER 8 23.855 26.270 28.078
48 HA SER 8 HA SER 8 24.758 24.111 29.669
49 HB2 SER 8 HB2 SER 8 21.928 24.624 28.707
50 HB3 SER 8 HB3 SER 8 22.423 23.658 30.113
51 HG SER 8 HG SER 8 23.390 25.563 30.963
52 H CYS 9 H CYS 9 24.319 24.038 26.248
53 HA CYS 9 HA CYS 9 23.743 21.227 25.911
54 HB2 CYS 9 HB2 CYS 9 23.700 22.919 24.061
55 HB3 CYS 9 HB3 CYS 9 25.452 23.099 24.238
56 H ASN 10 H ASN 10 26.653 22.998 26.981
57 HA ASN 10 HA ASN 10 28.608 21.098 26.311
58 HB2 ASN 10 HB2 ASN 10 28.909 23.460 27.224
59 HB3 ASN 10 HB3 ASN 10 28.582 22.811 28.837
60 HD21 ASN 10 HD21 ASN 10 31.986 21.895 29.107
61 HD22 ASN 10 HD22 ASN 10 30.538 22.535 29.896
62 H SER 11 H SER 11 26.599 21.158 29.323
63 HA SER 11 HA SER 11 27.718 18.787 30.469
64 HB2 SER 11 HB2 SER 11 24.882 19.804 30.799
65 HB3 SER 11 HB3 SER 11 25.816 18.812 31.936
66 HG SER 11 HG SER 11 27.124 20.528 32.374
67 H SER 12 H SER 12 25.117 19.232 28.067
68 HA SER 12 HA SER 12 24.213 16.486 28.018
69 HB2 SER 12 HB2 SER 12 24.105 18.634 25.849
70 HB3 SER 12 HB3 SER 12 23.248 17.095 25.823
71 HG SER 12 HG SER 12 22.038 17.690 27.518
72 H CYS 13 H CYS 13 26.682 18.312 26.136
73 HA CYS 13 HA CYS 13 27.517 16.097 24.530
74 HB2 CYS 13 HB2 CYS 13 28.926 18.643 25.416
75 HB3 CYS 13 HB3 CYS 13 29.594 17.513 24.257
76 H ILE 14 H ILE 14 28.891 17.345 27.659
77 HA ILE 14 HA ILE 14 30.968 15.388 27.812
78 HB ILE 14 HB ILE 14 29.554 16.973 29.975
79 HG12 ILE 14 HG12 ILE 14 32.361 17.345 28.821
80 HG13 ILE 14 HG13 ILE 14 30.971 18.143 28.117
81 HG21 ILE 14 HG21 ILE 14 31.489 16.408 31.440
82 HG22 ILE 14 HG22 ILE 14 30.595 14.963 31.004
83 HG23 ILE 14 HG23 ILE 14 32.125 15.325 30.184
84 HD11 ILE 14 HD11 ILE 14 32.096 19.666 29.611
85 HD12 ILE 14 HD12 ILE 14 30.487 19.287 30.258
86 HD13 ILE 14 HD13 ILE 14 31.942 18.548 30.970
87 H SER 15 H SER 15 27.531 15.174 28.839
88 HA SER 15 HA SER 15 27.742 12.563 29.941
89 HB2 SER 15 HB2 SER 15 25.715 13.859 30.277
90 HB3 SER 15 HB3 SER 15 25.442 13.982 28.535
91 HG SER 15 HG SER 15 25.215 11.713 30.216
92 H ARG 16 H ARG 16 27.473 13.510 26.506
93 HA ARG 16 HA ARG 16 27.395 10.708 25.584
94 HB2 ARG 16 HB2 ARG 16 28.012 13.233 24.035
95 HB3 ARG 16 HB3 ARG 16 27.613 11.664 23.352
96 HG2 ARG 16 HG2 ARG 16 25.732 13.502 24.878
97 HG3 ARG 16 HG3 ARG 16 25.789 13.231 23.157
98 HD2 ARG 16 HD2 ARG 16 23.958 12.000 23.925
99 HD3 ARG 16 HD3 ARG 16 25.213 10.783 23.617
100 HE ARG 16 HE ARG 16 25.397 11.563 26.331
101 HH11 ARG 16 HH11 ARG 16 23.057 9.849 24.309
102 HH12 ARG 16 HH12 ARG 16 22.521 8.890 25.694
103 HH21 ARG 16 HH21 ARG 16 24.586 10.278 27.979
104 HH22 ARG 16 HH22 ARG 16 23.332 9.100 27.584
105 H GLY 17 H GLY 17 29.852 12.325 27.085
106 HA2 GLY 17 HA2 GLY 17 32.028 11.590 27.379
107 HA3 GLY 17 HA3 GLY 17 31.863 10.488 26.014
108 H TYR 18 H TYR 18 31.121 13.915 25.603
109 HA TYR 18 HA TYR 18 33.484 14.250 23.805
110 HB2 TYR 18 HB2 TYR 18 31.024 15.921 24.303
111 HB3 TYR 18 HB3 TYR 18 32.310 16.386 23.221
112 HD1 TYR 18 HD1 TYR 18 32.931 14.583 21.327
113 HD2 TYR 18 HD2 TYR 18 29.128 14.955 23.314
114 HE1 TYR 18 HE1 TYR 18 31.770 13.789 19.281
115 HE2 TYR 18 HE2 TYR 18 27.971 14.138 21.268
116 HH TYR 18 HH TYR 18 29.749 13.342 18.272
117 H ARG 19 H ARG 19 34.557 16.405 23.938
118 HA ARG 19 HA ARG 19 35.420 16.971 26.742
119 HB2 ARG 19 HB2 ARG 19 36.426 18.115 24.102
120 HB3 ARG 19 HB3 ARG 19 37.101 18.449 25.697
121 HG2 ARG 19 HG2 ARG 19 37.537 15.952 25.939
122 HG3 ARG 19 HG3 ARG 19 37.085 15.790 24.242
123 HD2 ARG 19 HD2 ARG 19 39.409 17.371 25.389
124 HD3 ARG 19 HD3 ARG 19 39.517 15.894 24.439
125 HE ARG 19 HE ARG 19 39.241 18.619 23.482
126 HH11 ARG 19 HH11 ARG 19 38.619 15.304 22.388
127 HH12 ARG 19 HH12 ARG 19 38.365 15.890 20.747
128 HH21 ARG 19 HH21 ARG 19 39.078 19.127 21.378
129 HH22 ARG 19 HH22 ARG 19 38.617 17.895 20.210
130 H GLN 20 H GLN 20 33.962 18.776 24.075
131 HA GLN 20 HA GLN 20 32.841 20.829 25.873
132 HB2 GLN 20 HB2 GLN 20 35.104 21.637 25.392
133 HB3 GLN 20 HB3 GLN 20 34.875 21.327 23.683
134 HG2 GLN 20 HG2 GLN 20 34.746 23.631 23.894
135 HG3 GLN 20 HG3 GLN 20 33.089 23.143 23.646
136 HE21 GLN 20 HE21 GLN 20 33.043 25.736 26.272
137 HE22 GLN 20 HE22 GLN 20 33.316 25.611 24.542
138 H GLY 21 H GLY 21 30.930 21.754 24.966
139 HA2 GLY 21 HA2 GLY 21 30.186 21.028 22.146
140 HA3 GLY 21 HA3 GLY 21 29.058 21.030 23.486
141 H LYS 22 H LYS 22 29.050 22.474 20.885
142 HA LYS 22 HA LYS 22 28.616 25.280 21.802
143 HB2 LYS 22 HB2 LYS 22 29.985 26.008 19.840
144 HB3 LYS 22 HB3 LYS 22 30.879 25.264 21.164
145 HG2 LYS 22 HG2 LYS 22 30.921 23.087 19.857
146 HG3 LYS 22 HG3 LYS 22 30.174 23.935 18.500
147 HD2 LYS 22 HD2 LYS 22 32.829 24.692 19.798
148 HD3 LYS 22 HD3 LYS 22 32.645 23.650 18.376
149 HE2 LYS 22 HE2 LYS 22 31.518 25.446 17.155
150 HE3 LYS 22 HE3 LYS 22 31.654 26.521 18.552
151 HZ1 LYS 22 HZ1 LYS 22 34.074 26.404 18.340
152 HZ2 LYS 22 HZ2 LYS 22 33.973 25.305 17.137
153 HZ3 LYS 22 HZ3 LYS 22 33.467 26.828 16.855
154 H CYS 23 H CYS 23 26.875 26.230 20.972
155 HA CYS 23 HA CYS 23 25.640 25.185 18.465
156 HB2 CYS 23 HB2 CYS 23 24.227 25.171 20.545
157 HB3 CYS 23 HB3 CYS 23 24.331 26.931 20.543
158 H TRP 24 H TRP 24 27.917 26.521 18.059
159 HA TRP 24 HA TRP 24 27.068 28.650 16.313
160 HB2 TRP 24 HB2 TRP 24 28.380 30.418 17.138
161 HB3 TRP 24 HB3 TRP 24 27.555 29.824 18.564
162 HD1 TRP 24 HD1 TRP 24 29.065 28.426 20.316
163 HE1 TRP 24 HE1 TRP 24 31.578 28.356 20.778
164 HE3 TRP 24 HE3 TRP 24 30.756 30.844 16.112
165 HZ2 TRP 24 HZ2 TRP 24 34.024 29.106 19.449
166 HZ3 TRP 24 HZ3 TRP 24 33.184 31.131 15.741
167 HH2 TRP 24 HH2 TRP 24 34.827 30.244 17.376
168 H GLY 25 H GLY 25 29.004 29.280 14.909
169 HA2 GLY 25 HA2 GLY 25 31.368 28.819 14.415
170 HA3 GLY 25 HA3 GLY 25 31.092 27.120 14.761
171 H ILE 26 H ILE 26 29.840 25.852 13.249
172 HA ILE 26 HA ILE 26 29.466 27.086 10.551
173 HB ILE 26 HB ILE 26 31.268 25.361 10.818
174 HG12 ILE 26 HG12 ILE 26 29.195 24.498 8.779
175 HG13 ILE 26 HG13 ILE 26 30.034 26.041 8.661
176 HG21 ILE 26 HG21 ILE 26 28.940 23.390 10.964
177 HG22 ILE 26 HG22 ILE 26 30.665 22.992 10.864
178 HG23 ILE 26 HG23 ILE 26 30.034 23.782 12.309
179 HD11 ILE 26 HD11 ILE 26 31.376 23.310 8.681
180 HD12 ILE 26 HD12 ILE 26 31.161 24.387 7.289
181 HD13 ILE 26 HD13 ILE 26 32.219 24.878 8.627
182 H GLN 27 H GLN 27 27.733 26.079 13.167
183 HA GLN 27 HA GLN 27 25.210 26.335 11.693
184 HB2 GLN 27 HB2 GLN 27 25.924 23.931 13.435
185 HB3 GLN 27 HB3 GLN 27 24.275 24.522 13.312
186 HG2 GLN 27 HG2 GLN 27 24.644 24.375 10.712
187 HG3 GLN 27 HG3 GLN 27 25.978 23.305 11.135
188 HE21 GLN 27 HE21 GLN 27 23.745 20.587 11.775
189 HE22 GLN 27 HE22 GLN 27 25.428 21.143 11.733
190 H TYR 28 H TYR 28 23.645 27.386 12.907
191 HA TYR 28 HA TYR 28 24.478 28.347 15.626
192 HB2 TYR 28 HB2 TYR 28 23.338 29.943 13.310
193 HB3 TYR 28 HB3 TYR 28 23.497 30.550 14.948
194 HD1 TYR 28 HD1 TYR 28 25.579 31.360 15.807
195 HD2 TYR 28 HD2 TYR 28 25.450 29.323 12.007
196 HE1 TYR 28 HE1 TYR 28 27.976 31.938 15.403
197 HE2 TYR 28 HE2 TYR 28 27.861 29.834 11.647
198 HH TYR 28 HH TYR 28 29.786 30.598 12.648
199 H LYS 29 H LYS 29 22.021 26.713 13.971
200 HA LYS 29 HA LYS 29 20.075 27.225 16.201
201 HB2 LYS 29 HB2 LYS 29 19.474 25.893 13.547
202 HB3 LYS 29 HB3 LYS 29 18.333 26.446 14.761
203 HG2 LYS 29 HG2 LYS 29 20.017 28.171 12.897
204 HG3 LYS 29 HG3 LYS 29 18.276 27.920 12.855
205 HD2 LYS 29 HD2 LYS 29 18.154 28.999 15.161
206 HD3 LYS 29 HD3 LYS 29 19.870 29.415 14.965
207 HE2 LYS 29 HE2 LYS 29 19.319 30.629 12.866
208 HE3 LYS 29 HE3 LYS 29 17.607 30.291 13.137
209 HZ1 LYS 29 HZ1 LYS 29 19.327 31.860 14.998
210 HZ2 LYS 29 HZ2 LYS 29 18.282 32.509 13.931
211 HZ3 LYS 29 HZ3 LYS 29 17.714 31.618 15.168
212 H TYR 30 H TYR 30 22.547 25.246 15.656
213 HA TYR 30 HA TYR 30 21.356 22.947 17.080
214 HB2 TYR 30 HB2 TYR 30 20.986 22.378 14.776
215 HB3 TYR 30 HB3 TYR 30 22.617 22.850 14.333
216 HD1 TYR 30 HD1 TYR 30 20.592 20.252 16.046
217 HD2 TYR 30 HD2 TYR 30 24.513 21.411 14.664
218 HE1 TYR 30 HE1 TYR 30 21.392 17.889 16.302
219 HE2 TYR 30 HE2 TYR 30 25.300 19.066 14.920
220 HH TYR 30 HH TYR 30 24.496 16.883 15.060
221 H CYS 31 H CYS 31 22.671 22.030 18.491
222 HA CYS 31 HA CYS 31 25.417 22.986 18.802
223 HB2 CYS 31 HB2 CYS 31 23.786 22.952 20.672
224 HB3 CYS 31 HB3 CYS 31 23.682 21.201 20.510
225 H GLN 32 H GLN 32 27.232 21.873 18.474
226 HA GLN 32 HA GLN 32 27.219 18.911 18.293
227 HB2 GLN 32 HB2 GLN 32 28.734 18.837 16.493
228 HB3 GLN 32 HB3 GLN 32 27.382 19.837 15.977
229 HG2 GLN 32 HG2 GLN 32 28.730 21.872 16.275
230 HG3 GLN 32 HG3 GLN 32 30.047 20.944 16.983
231 HE21 GLN 32 HE21 GLN 32 31.532 20.375 13.840
232 HE22 GLN 32 HE22 GLN 32 31.696 20.466 15.590
233 H CYS 33 H CYS 33 29.585 18.074 18.622
234 HA CYS 33 HA CYS 33 30.927 19.736 20.685
235 HB2 CYS 33 HB2 CYS 33 30.533 16.917 21.345
236 HB3 CYS 33 HB3 CYS 33 30.531 18.324 22.408
237 H GLN 34 H GLN 34 32.877 18.808 21.569
238 HA GLN 34 HA GLN 34 34.653 17.985 19.369
239 HB2 GLN 34 HB2 GLN 34 35.471 18.930 22.118
240 HB3 GLN 34 HB3 GLN 34 36.424 18.907 20.641
241 HG2 GLN 34 HG2 GLN 34 34.103 20.779 21.245
242 HG3 GLN 34 HG3 GLN 34 35.807 21.159 21.303
243 HE21 GLN 34 HE21 GLN 34 34.972 22.643 18.156
244 HE22 GLN 34 HE22 GLN 34 35.144 22.945 19.891
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 11.656 26.108 15.532
2 H2 GLY 1 H2 GLY 1 10.981 25.541 16.924
3 H3 GLY 1 H3 GLY 1 10.388 25.065 15.462
4 HA2 GLY 1 HA2 GLY 1 11.669 23.273 16.319
5 HA3 GLY 1 HA3 GLY 1 12.516 24.008 14.939
6 H SER 2 H SER 2 14.506 23.069 15.830
7 HA SER 2 HA SER 2 15.281 23.672 18.518
8 HB2 SER 2 HB2 SER 2 17.315 22.454 18.010
9 HB3 SER 2 HB3 SER 2 15.891 21.601 17.482
10 HG SER 2 HG SER 2 17.390 21.441 15.916
11 H ALA 3 H ALA 3 16.900 24.872 19.403
12 HA ALA 3 HA ALA 3 18.520 26.754 17.829
13 HB1 ALA 3 HB1 ALA 3 16.456 27.724 19.862
14 HB2 ALA 3 HB2 ALA 3 17.651 28.734 19.019
15 HB3 ALA 3 HB3 ALA 3 16.357 27.946 18.106
16 H CYS 4 H CYS 4 20.194 27.797 19.125
17 HA CYS 4 HA CYS 4 21.435 26.010 20.927
18 HB2 CYS 4 HB2 CYS 4 21.968 28.921 20.269
19 HB3 CYS 4 HB3 CYS 4 23.044 27.943 21.253
20 H GLN 5 H GLN 5 22.384 26.478 23.025
21 HA GLN 5 HA GLN 5 20.781 28.098 24.926
22 HB2 GLN 5 HB2 GLN 5 21.534 25.169 25.200
23 HB3 GLN 5 HB3 GLN 5 21.021 26.157 26.558
24 HG2 GLN 5 HG2 GLN 5 19.272 25.716 24.099
25 HG3 GLN 5 HG3 GLN 5 19.262 24.692 25.522
26 HE21 GLN 5 HE21 GLN 5 16.589 26.805 26.559
27 HE22 GLN 5 HE22 GLN 5 16.924 25.303 25.680
28 H PHE 6 H PHE 6 21.885 28.475 27.007
29 HA PHE 6 HA PHE 6 24.463 29.572 26.584
30 HB2 PHE 6 HB2 PHE 6 22.975 28.948 29.148
31 HB3 PHE 6 HB3 PHE 6 24.406 29.954 29.047
32 HD1 PHE 6 HD1 PHE 6 21.991 30.897 30.361
33 HD2 PHE 6 HD2 PHE 6 23.124 31.228 26.204
34 HE1 PHE 6 HE1 PHE 6 20.630 32.958 30.144
35 HE2 PHE 6 HE2 PHE 6 21.764 33.267 25.995
36 HZ PHE 6 HZ PHE 6 20.521 34.161 27.962
37 H TRP 7 H TRP 7 23.644 26.714 28.611
38 HA TRP 7 HA TRP 7 26.290 25.530 27.988
39 HB2 TRP 7 HB2 TRP 7 26.694 25.123 30.461
40 HB3 TRP 7 HB3 TRP 7 26.904 26.758 29.885
41 HD1 TRP 7 HD1 TRP 7 25.694 28.632 31.065
42 HE1 TRP 7 HE1 TRP 7 24.108 28.834 33.068
43 HE3 TRP 7 HE3 TRP 7 24.439 23.685 31.619
44 HZ2 TRP 7 HZ2 TRP 7 22.364 27.114 34.578
45 HZ3 TRP 7 HZ3 TRP 7 22.808 23.006 33.356
46 HH2 TRP 7 HH2 TRP 7 21.769 24.698 34.846
47 H SER 8 H SER 8 22.980 25.028 28.592
48 HA SER 8 HA SER 8 22.959 22.328 29.444
49 HB2 SER 8 HB2 SER 8 20.950 23.715 29.221
50 HB3 SER 8 HB3 SER 8 21.140 23.735 27.462
51 HG SER 8 HG SER 8 20.530 21.513 29.145
52 H CYS 9 H CYS 9 23.762 23.596 26.188
53 HA CYS 9 HA CYS 9 23.676 21.035 24.835
54 HB2 CYS 9 HB2 CYS 9 25.330 23.512 24.232
55 HB3 CYS 9 HB3 CYS 9 25.124 22.127 23.194
56 H ASN 10 H ASN 10 26.302 22.911 26.439
57 HA ASN 10 HA ASN 10 28.340 20.954 25.889
58 HB2 ASN 10 HB2 ASN 10 28.754 23.384 26.400
59 HB3 ASN 10 HB3 ASN 10 28.274 23.076 28.073
60 HD21 ASN 10 HD21 ASN 10 31.737 22.536 28.595
61 HD22 ASN 10 HD22 ASN 10 30.390 23.685 28.804
62 H SER 11 H SER 11 26.271 21.499 28.777
63 HA SER 11 HA SER 11 27.354 19.445 30.402
64 HB2 SER 11 HB2 SER 11 25.743 21.191 31.118
65 HB3 SER 11 HB3 SER 11 24.452 20.351 30.255
66 HG SER 11 HG SER 11 24.987 19.964 32.651
67 H SER 12 H SER 12 24.708 19.181 27.940
68 HA SER 12 HA SER 12 24.407 16.344 28.221
69 HB2 SER 12 HB2 SER 12 22.722 17.720 27.149
70 HB3 SER 12 HB3 SER 12 23.842 18.101 25.819
71 HG SER 12 HG SER 12 23.595 16.149 25.015
72 H CYS 13 H CYS 13 26.457 18.243 25.885
73 HA CYS 13 HA CYS 13 27.613 16.081 24.518
74 HB2 CYS 13 HB2 CYS 13 28.865 18.735 25.342
75 HB3 CYS 13 HB3 CYS 13 29.596 17.616 24.243
76 H ILE 14 H ILE 14 28.771 17.547 27.597
77 HA ILE 14 HA ILE 14 31.031 15.874 27.987
78 HB ILE 14 HB ILE 14 29.214 17.438 29.844
79 HG12 ILE 14 HG12 ILE 14 32.129 17.904 29.032
80 HG13 ILE 14 HG13 ILE 14 30.782 18.572 28.136
81 HG21 ILE 14 HG21 ILE 14 30.871 17.150 31.646
82 HG22 ILE 14 HG22 ILE 14 30.173 15.609 31.210
83 HG23 ILE 14 HG23 ILE 14 31.806 16.035 30.633
84 HD11 ILE 14 HD11 ILE 14 30.000 19.786 30.171
85 HD12 ILE 14 HD12 ILE 14 31.464 19.226 31.019
86 HD13 ILE 14 HD13 ILE 14 31.611 20.271 29.604
87 H SER 15 H SER 15 27.585 15.312 28.876
88 HA SER 15 HA SER 15 28.162 12.762 30.110
89 HB2 SER 15 HB2 SER 15 25.841 12.448 30.300
90 HB3 SER 15 HB3 SER 15 26.062 14.197 30.470
91 HG SER 15 HG SER 15 25.474 14.346 28.215
92 H ARG 16 H ARG 16 27.385 13.643 26.744
93 HA ARG 16 HA ARG 16 27.443 10.886 25.783
94 HB2 ARG 16 HB2 ARG 16 27.762 13.494 24.264
95 HB3 ARG 16 HB3 ARG 16 27.424 11.914 23.566
96 HG2 ARG 16 HG2 ARG 16 25.570 13.691 25.171
97 HG3 ARG 16 HG3 ARG 16 25.450 13.176 23.518
98 HD2 ARG 16 HD2 ARG 16 23.944 11.705 24.351
99 HD3 ARG 16 HD3 ARG 16 25.375 10.734 24.671
100 HE ARG 16 HE ARG 16 24.517 12.621 26.805
101 HH11 ARG 16 HH11 ARG 16 23.967 9.366 25.675
102 HH12 ARG 16 HH12 ARG 16 23.790 8.748 27.298
103 HH21 ARG 16 HH21 ARG 16 24.170 11.845 28.752
104 HH22 ARG 16 HH22 ARG 16 23.829 10.136 29.019
105 H GLY 17 H GLY 17 29.931 12.505 27.148
106 HA2 GLY 17 HA2 GLY 17 32.095 11.711 27.348
107 HA3 GLY 17 HA3 GLY 17 31.858 10.653 25.956
108 H TYR 18 H TYR 18 31.174 14.074 25.575
109 HA TYR 18 HA TYR 18 33.594 14.441 23.865
110 HB2 TYR 18 HB2 TYR 18 31.041 16.019 24.223
111 HB3 TYR 18 HB3 TYR 18 32.361 16.558 23.218
112 HD1 TYR 18 HD1 TYR 18 29.385 14.582 23.333
113 HD2 TYR 18 HD2 TYR 18 33.148 15.024 21.280
114 HE1 TYR 18 HE1 TYR 18 28.461 13.346 21.387
115 HE2 TYR 18 HE2 TYR 18 32.224 13.772 19.332
116 HH TYR 18 HH TYR 18 28.849 12.544 19.298
117 H ARG 19 H ARG 19 34.410 16.800 23.996
118 HA ARG 19 HA ARG 19 35.192 17.308 26.861
119 HB2 ARG 19 HB2 ARG 19 36.557 17.996 24.223
120 HB3 ARG 19 HB3 ARG 19 37.006 18.703 25.762
121 HG2 ARG 19 HG2 ARG 19 38.540 16.980 25.481
122 HG3 ARG 19 HG3 ARG 19 37.384 16.360 26.667
123 HD2 ARG 19 HD2 ARG 19 36.276 15.051 24.821
124 HD3 ARG 19 HD3 ARG 19 37.496 15.678 23.698
125 HE ARG 19 HE ARG 19 38.861 14.471 25.882
126 HH11 ARG 19 HH11 ARG 19 36.936 13.386 23.131
127 HH12 ARG 19 HH12 ARG 19 37.617 11.764 23.268
128 HH21 ARG 19 HH21 ARG 19 39.632 12.505 25.913
129 HH22 ARG 19 HH22 ARG 19 39.087 11.278 24.765
130 H GLN 20 H GLN 20 34.010 18.983 23.914
131 HA GLN 20 HA GLN 20 32.767 21.035 25.664
132 HB2 GLN 20 HB2 GLN 20 35.036 21.870 25.233
133 HB3 GLN 20 HB3 GLN 20 34.795 21.667 23.499
134 HG2 GLN 20 HG2 GLN 20 34.518 23.992 23.997
135 HG3 GLN 20 HG3 GLN 20 32.945 23.367 23.577
136 HE21 GLN 20 HE21 GLN 20 31.659 24.793 26.544
137 HE22 GLN 20 HE22 GLN 20 31.360 24.310 24.880
138 H GLY 21 H GLY 21 30.703 21.076 25.068
139 HA2 GLY 21 HA2 GLY 21 29.749 20.935 22.299
140 HA3 GLY 21 HA3 GLY 21 28.802 21.299 23.724
141 H LYS 22 H LYS 22 29.419 22.580 20.899
142 HA LYS 22 HA LYS 22 29.414 25.413 21.860
143 HB2 LYS 22 HB2 LYS 22 30.969 24.202 19.563
144 HB3 LYS 22 HB3 LYS 22 30.542 25.918 19.604
145 HG2 LYS 22 HG2 LYS 22 31.577 26.097 21.886
146 HG3 LYS 22 HG3 LYS 22 32.136 24.429 21.733
147 HD2 LYS 22 HD2 LYS 22 32.915 26.717 19.874
148 HD3 LYS 22 HD3 LYS 22 33.862 26.139 21.254
149 HE2 LYS 22 HE2 LYS 22 33.802 23.827 20.162
150 HE3 LYS 22 HE3 LYS 22 33.186 24.629 18.707
151 HZ1 LYS 22 HZ1 LYS 22 35.220 26.038 18.768
152 HZ2 LYS 22 HZ2 LYS 22 35.757 25.217 20.092
153 HZ3 LYS 22 HZ3 LYS 22 35.649 24.454 18.659
154 H CYS 23 H CYS 23 28.229 26.889 20.608
155 HA CYS 23 HA CYS 23 25.774 25.793 19.425
156 HB2 CYS 23 HB2 CYS 23 25.611 27.754 20.839
157 HB3 CYS 23 HB3 CYS 23 26.814 28.607 19.873
158 H TRP 24 H TRP 24 28.634 27.676 18.240
159 HA TRP 24 HA TRP 24 27.467 27.908 15.620
160 HB2 TRP 24 HB2 TRP 24 29.052 29.397 15.180
161 HB3 TRP 24 HB3 TRP 24 29.227 29.420 16.919
162 HD1 TRP 24 HD1 TRP 24 31.455 28.284 17.909
163 HE1 TRP 24 HE1 TRP 24 33.760 27.829 16.885
164 HE3 TRP 24 HE3 TRP 24 30.227 28.697 12.947
165 HZ2 TRP 24 HZ2 TRP 24 34.951 27.813 14.263
166 HZ3 TRP 24 HZ3 TRP 24 31.992 28.537 11.208
167 HH2 TRP 24 HH2 TRP 24 34.359 28.132 11.860
168 H GLY 25 H GLY 25 28.142 27.135 13.619
169 HA2 GLY 25 HA2 GLY 25 30.223 25.369 13.063
170 HA3 GLY 25 HA3 GLY 25 28.852 24.349 13.487
171 H ILE 26 H ILE 26 30.218 24.549 10.967
172 HA ILE 26 HA ILE 26 28.587 26.100 9.128
173 HB ILE 26 HB ILE 26 31.064 25.846 9.078
174 HG12 ILE 26 HG12 ILE 26 29.807 25.144 6.405
175 HG13 ILE 26 HG13 ILE 26 29.636 26.711 7.198
176 HG21 ILE 26 HG21 ILE 26 32.143 23.953 8.076
177 HG22 ILE 26 HG22 ILE 26 31.134 23.344 9.396
178 HG23 ILE 26 HG23 ILE 26 30.594 23.178 7.712
179 HD11 ILE 26 HD11 ILE 26 32.115 26.967 7.201
180 HD12 ILE 26 HD12 ILE 26 32.252 25.441 6.295
181 HD13 ILE 26 HD13 ILE 26 31.421 26.833 5.580
182 H GLN 27 H GLN 27 27.139 23.920 10.533
183 HA GLN 27 HA GLN 27 26.122 22.463 8.130
184 HB2 GLN 27 HB2 GLN 27 26.721 21.195 10.819
185 HB3 GLN 27 HB3 GLN 27 25.930 20.418 9.444
186 HG2 GLN 27 HG2 GLN 27 28.001 20.671 8.105
187 HG3 GLN 27 HG3 GLN 27 28.805 21.423 9.491
188 HE21 GLN 27 HE21 GLN 27 28.179 17.365 9.548
189 HE22 GLN 27 HE22 GLN 27 27.376 18.329 8.308
190 H TYR 28 H TYR 28 25.290 23.084 11.615
191 HA TYR 28 HA TYR 28 22.404 23.017 10.783
192 HB2 TYR 28 HB2 TYR 28 23.593 21.874 13.321
193 HB3 TYR 28 HB3 TYR 28 21.938 21.716 12.762
194 HD1 TYR 28 HD1 TYR 28 25.219 20.255 12.741
195 HD2 TYR 28 HD2 TYR 28 21.505 20.411 10.558
196 HE1 TYR 28 HE1 TYR 28 25.821 18.143 11.550
197 HE2 TYR 28 HE2 TYR 28 22.112 18.323 9.368
198 HH TYR 28 HH TYR 28 23.588 16.567 9.264
199 H LYS 29 H LYS 29 20.862 23.958 12.182
200 HA LYS 29 HA LYS 29 21.580 26.560 13.271
201 HB2 LYS 29 HB2 LYS 29 19.201 26.841 13.553
202 HB3 LYS 29 HB3 LYS 29 19.516 26.113 11.975
203 HG2 LYS 29 HG2 LYS 29 18.985 23.852 12.987
204 HG3 LYS 29 HG3 LYS 29 18.551 24.674 14.496
205 HD2 LYS 29 HD2 LYS 29 16.862 26.013 13.191
206 HD3 LYS 29 HD3 LYS 29 17.200 24.994 11.782
207 HE2 LYS 29 HE2 LYS 29 16.200 24.051 14.507
208 HE3 LYS 29 HE3 LYS 29 15.195 24.264 13.068
209 HZ1 LYS 29 HZ1 LYS 29 15.785 21.969 13.361
210 HZ2 LYS 29 HZ2 LYS 29 16.533 22.509 11.987
211 HZ3 LYS 29 HZ3 LYS 29 17.394 22.276 13.351
212 H TYR 30 H TYR 30 21.848 23.603 14.726
213 HA TYR 30 HA TYR 30 21.345 24.653 17.472
214 HB2 TYR 30 HB2 TYR 30 19.596 23.076 16.737
215 HB3 TYR 30 HB3 TYR 30 20.819 21.862 16.405
216 HD1 TYR 30 HD1 TYR 30 19.189 23.839 19.095
217 HD2 TYR 30 HD2 TYR 30 21.696 20.475 18.195
218 HE1 TYR 30 HE1 TYR 30 18.919 23.032 21.435
219 HE2 TYR 30 HE2 TYR 30 21.422 19.648 20.547
220 HH TYR 30 HH TYR 30 19.471 21.437 22.969
221 H CYS 31 H CYS 31 22.503 23.223 19.114
222 HA CYS 31 HA CYS 31 25.272 23.649 18.838
223 HB2 CYS 31 HB2 CYS 31 23.649 21.927 20.743
224 HB3 CYS 31 HB3 CYS 31 25.346 22.325 20.972
225 H GLN 32 H GLN 32 27.017 22.254 18.962
226 HA GLN 32 HA GLN 32 26.786 19.411 18.231
227 HB2 GLN 32 HB2 GLN 32 28.385 19.594 16.413
228 HB3 GLN 32 HB3 GLN 32 26.946 20.550 16.063
229 HG2 GLN 32 HG2 GLN 32 28.186 22.630 16.717
230 HG3 GLN 32 HG3 GLN 32 29.612 21.651 17.071
231 HE21 GLN 32 HE21 GLN 32 30.644 22.454 13.773
232 HE22 GLN 32 HE22 GLN 32 30.869 22.794 15.491
233 H CYS 33 H CYS 33 28.664 18.186 18.926
234 HA CYS 33 HA CYS 33 30.308 19.687 20.894
235 HB2 CYS 33 HB2 CYS 33 30.235 16.737 20.909
236 HB3 CYS 33 HB3 CYS 33 30.419 17.897 22.231
237 H GLN 34 H GLN 34 32.428 19.198 21.367
238 HA GLN 34 HA GLN 34 34.118 18.050 19.197
239 HB2 GLN 34 HB2 GLN 34 34.851 20.328 21.059
240 HB3 GLN 34 HB3 GLN 34 35.798 19.705 19.713
241 HG2 GLN 34 HG2 GLN 34 33.139 21.204 19.487
242 HG3 GLN 34 HG3 GLN 34 34.729 21.891 19.245
243 HE21 GLN 34 HE21 GLN 34 33.301 21.103 15.875
244 HE22 GLN 34 HE22 GLN 34 32.701 22.056 17.225
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 11.068 18.581 16.577
2 H2 GLY 1 H2 GLY 1 12.284 18.383 17.660
3 H3 GLY 1 H3 GLY 1 12.280 17.500 16.253
4 HA2 GLY 1 HA2 GLY 1 12.584 19.509 14.955
5 HA3 GLY 1 HA3 GLY 1 12.545 20.429 16.468
6 H SER 2 H SER 2 14.652 21.236 16.549
7 HA SER 2 HA SER 2 16.821 19.274 16.948
8 HB2 SER 2 HB2 SER 2 18.298 20.365 15.302
9 HB3 SER 2 HB3 SER 2 16.909 19.546 14.571
10 HG SER 2 HG SER 2 17.478 22.275 14.833
11 H ALA 3 H ALA 3 17.754 19.796 18.760
12 HA ALA 3 HA ALA 3 17.277 22.351 20.012
13 HB1 ALA 3 HB1 ALA 3 17.199 20.204 21.226
14 HB2 ALA 3 HB2 ALA 3 18.938 19.974 20.929
15 HB3 ALA 3 HB3 ALA 3 18.375 21.316 21.944
16 H CYS 4 H CYS 4 18.671 23.923 20.692
17 HA CYS 4 HA CYS 4 21.515 23.811 20.080
18 HB2 CYS 4 HB2 CYS 4 20.165 24.623 18.007
19 HB3 CYS 4 HB3 CYS 4 19.997 26.133 18.875
20 H GLN 5 H GLN 5 21.051 23.660 22.476
21 HA GLN 5 HA GLN 5 20.466 26.115 23.952
22 HB2 GLN 5 HB2 GLN 5 21.938 23.600 24.840
23 HB3 GLN 5 HB3 GLN 5 21.380 24.902 25.885
24 HG2 GLN 5 HG2 GLN 5 19.045 24.398 25.253
25 HG3 GLN 5 HG3 GLN 5 19.602 23.054 24.238
26 HE21 GLN 5 HE21 GLN 5 20.041 20.854 27.057
27 HE22 GLN 5 HE22 GLN 5 20.305 21.031 25.325
28 H PHE 6 H PHE 6 21.943 27.629 24.812
29 HA PHE 6 HA PHE 6 24.235 28.170 23.205
30 HB2 PHE 6 HB2 PHE 6 23.438 29.203 25.949
31 HB3 PHE 6 HB3 PHE 6 24.708 29.911 24.954
32 HD1 PHE 6 HD1 PHE 6 21.506 30.541 25.979
33 HD2 PHE 6 HD2 PHE 6 23.796 30.288 22.326
34 HE1 PHE 6 HE1 PHE 6 19.929 32.102 24.874
35 HE2 PHE 6 HE2 PHE 6 22.200 31.837 21.225
36 HZ PHE 6 HZ PHE 6 20.274 32.758 22.502
37 H TRP 7 H TRP 7 24.086 26.996 26.550
38 HA TRP 7 HA TRP 7 26.919 26.037 26.440
39 HB2 TRP 7 HB2 TRP 7 27.176 27.096 28.760
40 HB3 TRP 7 HB3 TRP 7 27.326 28.093 27.331
41 HD1 TRP 7 HD1 TRP 7 25.996 30.217 27.229
42 HE1 TRP 7 HE1 TRP 7 24.087 31.313 28.552
43 HE3 TRP 7 HE3 TRP 7 24.907 26.362 30.436
44 HZ2 TRP 7 HZ2 TRP 7 22.238 30.572 30.614
45 HZ3 TRP 7 HZ3 TRP 7 23.054 26.591 32.066
46 HH2 TRP 7 HH2 TRP 7 21.718 28.681 32.167
47 H SER 8 H SER 8 23.693 25.724 27.810
48 HA SER 8 HA SER 8 24.268 23.476 29.540
49 HB2 SER 8 HB2 SER 8 22.175 24.609 29.748
50 HB3 SER 8 HB3 SER 8 21.805 24.391 28.038
51 HG SER 8 HG SER 8 20.757 22.758 28.702
52 H CYS 9 H CYS 9 24.045 23.768 26.019
53 HA CYS 9 HA CYS 9 23.941 20.931 25.441
54 HB2 CYS 9 HB2 CYS 9 23.407 22.560 23.700
55 HB3 CYS 9 HB3 CYS 9 25.027 23.244 23.818
56 H ASN 10 H ASN 10 26.708 23.245 25.986
57 HA ASN 10 HA ASN 10 28.743 21.302 25.674
58 HB2 ASN 10 HB2 ASN 10 29.040 23.837 25.909
59 HB3 ASN 10 HB3 ASN 10 28.813 23.638 27.644
60 HD21 ASN 10 HD21 ASN 10 32.275 23.051 27.879
61 HD22 ASN 10 HD22 ASN 10 30.864 23.841 28.575
62 H SER 11 H SER 11 27.112 22.335 28.724
63 HA SER 11 HA SER 11 28.329 20.630 30.540
64 HB2 SER 11 HB2 SER 11 25.348 21.235 30.539
65 HB3 SER 11 HB3 SER 11 26.399 20.956 31.933
66 HG SER 11 HG SER 11 25.860 23.142 31.557
67 H SER 12 H SER 12 25.455 19.925 28.555
68 HA SER 12 HA SER 12 25.187 17.195 29.540
69 HB2 SER 12 HB2 SER 12 23.337 17.055 27.927
70 HB3 SER 12 HB3 SER 12 23.207 18.435 29.023
71 HG SER 12 HG SER 12 23.771 19.809 27.428
72 H CYS 13 H CYS 13 26.452 18.582 26.397
73 HA CYS 13 HA CYS 13 26.958 16.012 25.269
74 HB2 CYS 13 HB2 CYS 13 28.093 18.758 24.693
75 HB3 CYS 13 HB3 CYS 13 28.865 17.345 24.048
76 H ILE 14 H ILE 14 29.018 17.983 27.494
77 HA ILE 14 HA ILE 14 31.217 16.171 27.566
78 HB ILE 14 HB ILE 14 30.041 18.084 29.602
79 HG12 ILE 14 HG12 ILE 14 32.662 18.142 28.032
80 HG13 ILE 14 HG13 ILE 14 31.189 18.878 27.441
81 HG21 ILE 14 HG21 ILE 14 32.599 16.434 29.895
82 HG22 ILE 14 HG22 ILE 14 32.120 17.782 30.946
83 HG23 ILE 14 HG23 ILE 14 31.149 16.326 30.922
84 HD11 ILE 14 HD11 ILE 14 32.533 20.597 28.422
85 HD12 ILE 14 HD12 ILE 14 31.101 20.359 29.444
86 HD13 ILE 14 HD13 ILE 14 32.685 19.715 29.946
87 H SER 15 H SER 15 28.087 16.045 29.347
88 HA SER 15 HA SER 15 28.713 13.587 30.694
89 HB2 SER 15 HB2 SER 15 26.907 15.074 31.461
90 HB3 SER 15 HB3 SER 15 25.999 14.778 29.973
91 HG SER 15 HG SER 15 26.630 12.969 32.048
92 H ARG 16 H ARG 16 27.083 14.148 27.534
93 HA ARG 16 HA ARG 16 26.839 11.324 26.900
94 HB2 ARG 16 HB2 ARG 16 26.963 13.700 25.024
95 HB3 ARG 16 HB3 ARG 16 26.372 12.094 24.622
96 HG2 ARG 16 HG2 ARG 16 25.047 14.173 26.393
97 HG3 ARG 16 HG3 ARG 16 24.550 13.611 24.824
98 HD2 ARG 16 HD2 ARG 16 23.070 12.553 26.275
99 HD3 ARG 16 HD3 ARG 16 24.241 11.297 25.882
100 HE ARG 16 HE ARG 16 24.383 12.987 28.369
101 HH11 ARG 16 HH11 ARG 16 24.221 9.718 27.021
102 HH12 ARG 16 HH12 ARG 16 24.516 9.008 28.588
103 HH21 ARG 16 HH21 ARG 16 25.092 11.908 30.265
104 HH22 ARG 16 HH22 ARG 16 25.209 10.174 30.231
105 H GLY 17 H GLY 17 29.653 12.804 27.477
106 HA2 GLY 17 HA2 GLY 17 31.699 11.711 27.386
107 HA3 GLY 17 HA3 GLY 17 31.126 10.684 26.073
108 H TYR 18 H TYR 18 30.531 14.003 25.398
109 HA TYR 18 HA TYR 18 32.619 14.060 23.323
110 HB2 TYR 18 HB2 TYR 18 30.494 16.027 24.159
111 HB3 TYR 18 HB3 TYR 18 31.575 16.296 22.828
112 HD1 TYR 18 HD1 TYR 18 28.390 14.927 23.740
113 HD2 TYR 18 HD2 TYR 18 31.580 14.553 20.882
114 HE1 TYR 18 HE1 TYR 18 26.791 14.011 22.076
115 HE2 TYR 18 HE2 TYR 18 29.980 13.600 19.223
116 HH TYR 18 HH TYR 18 27.750 12.640 19.019
117 H ARG 19 H ARG 19 33.924 16.043 23.137
118 HA ARG 19 HA ARG 19 35.370 16.700 25.663
119 HB2 ARG 19 HB2 ARG 19 35.895 17.723 22.841
120 HB3 ARG 19 HB3 ARG 19 36.921 17.970 24.249
121 HG2 ARG 19 HG2 ARG 19 37.385 15.548 24.372
122 HG3 ARG 19 HG3 ARG 19 36.261 15.279 23.030
123 HD2 ARG 19 HD2 ARG 19 37.813 16.956 21.728
124 HD3 ARG 19 HD3 ARG 19 39.008 16.521 22.957
125 HE ARG 19 HE ARG 19 37.552 14.586 21.156
126 HH11 ARG 19 HH11 ARG 19 40.716 15.419 22.556
127 HH12 ARG 19 HH12 ARG 19 41.393 13.966 21.878
128 HH21 ARG 19 HH21 ARG 19 38.456 12.658 20.733
129 HH22 ARG 19 HH22 ARG 19 40.161 12.427 21.022
130 H GLN 20 H GLN 20 33.577 18.420 23.167
131 HA GLN 20 HA GLN 20 32.673 20.495 25.034
132 HB2 GLN 20 HB2 GLN 20 34.882 21.299 24.238
133 HB3 GLN 20 HB3 GLN 20 34.364 21.097 22.559
134 HG2 GLN 20 HG2 GLN 20 32.605 22.823 22.894
135 HG3 GLN 20 HG3 GLN 20 33.080 22.957 24.592
136 HE21 GLN 20 HE21 GLN 20 34.790 25.832 23.385
137 HE22 GLN 20 HE22 GLN 20 33.204 25.254 23.943
138 H GLY 21 H GLY 21 30.683 21.323 24.383
139 HA2 GLY 21 HA2 GLY 21 29.623 20.697 21.650
140 HA3 GLY 21 HA3 GLY 21 28.618 20.753 23.096
141 H LYS 22 H LYS 22 28.750 22.306 20.441
142 HA LYS 22 HA LYS 22 28.608 25.100 21.544
143 HB2 LYS 22 HB2 LYS 22 30.054 24.112 19.073
144 HB3 LYS 22 HB3 LYS 22 29.711 25.809 19.378
145 HG2 LYS 22 HG2 LYS 22 31.299 26.004 21.062
146 HG3 LYS 22 HG3 LYS 22 31.297 24.282 21.445
147 HD2 LYS 22 HD2 LYS 22 33.377 25.040 20.275
148 HD3 LYS 22 HD3 LYS 22 32.523 23.699 19.498
149 HE2 LYS 22 HE2 LYS 22 31.467 25.319 17.902
150 HE3 LYS 22 HE3 LYS 22 32.398 26.624 18.635
151 HZ1 LYS 22 HZ1 LYS 22 33.602 24.250 17.303
152 HZ2 LYS 22 HZ2 LYS 22 33.415 25.765 16.647
153 HZ3 LYS 22 HZ3 LYS 22 34.417 25.568 17.894
154 H CYS 23 H CYS 23 26.880 26.195 20.904
155 HA CYS 23 HA CYS 23 25.190 25.207 18.656
156 HB2 CYS 23 HB2 CYS 23 24.029 25.639 20.718
157 HB3 CYS 23 HB3 CYS 23 24.757 27.236 20.865
158 H TRP 24 H TRP 24 27.524 27.728 19.458
159 HA TRP 24 HA TRP 24 27.011 29.249 17.010
160 HB2 TRP 24 HB2 TRP 24 28.533 30.721 17.713
161 HB3 TRP 24 HB3 TRP 24 28.112 30.038 19.263
162 HD1 TRP 24 HD1 TRP 24 30.000 28.583 20.492
163 HE1 TRP 24 HE1 TRP 24 32.566 28.434 20.197
164 HE3 TRP 24 HE3 TRP 24 30.464 30.889 15.926
165 HZ2 TRP 24 HZ2 TRP 24 34.538 29.315 18.326
166 HZ3 TRP 24 HZ3 TRP 24 32.711 31.231 14.926
167 HH2 TRP 24 HH2 TRP 24 34.749 30.471 16.123
168 H GLY 25 H GLY 25 28.436 29.355 15.183
169 HA2 GLY 25 HA2 GLY 25 30.725 28.400 14.418
170 HA3 GLY 25 HA3 GLY 25 29.947 26.835 14.607
171 H ILE 26 H ILE 26 30.280 26.372 12.421
172 HA ILE 26 HA ILE 26 29.256 27.863 10.176
173 HB ILE 26 HB ILE 26 30.125 24.986 10.616
174 HG12 ILE 26 HG12 ILE 26 31.399 27.198 8.934
175 HG13 ILE 26 HG13 ILE 26 31.791 26.949 10.627
176 HG21 ILE 26 HG21 ILE 26 30.108 24.666 8.159
177 HG22 ILE 26 HG22 ILE 26 28.493 24.890 8.784
178 HG23 ILE 26 HG23 ILE 26 29.312 26.242 7.958
179 HD11 ILE 26 HD11 ILE 26 32.572 24.645 10.133
180 HD12 ILE 26 HD12 ILE 26 32.287 24.941 8.402
181 HD13 ILE 26 HD13 ILE 26 33.483 25.901 9.275
182 H GLN 27 H GLN 27 27.796 25.393 12.286
183 HA GLN 27 HA GLN 27 25.248 25.567 10.746
184 HB2 GLN 27 HB2 GLN 27 26.283 23.348 10.967
185 HB3 GLN 27 HB3 GLN 27 26.252 23.490 12.724
186 HG2 GLN 27 HG2 GLN 27 24.453 22.036 11.788
187 HG3 GLN 27 HG3 GLN 27 23.845 23.356 12.775
188 HE21 GLN 27 HE21 GLN 27 23.024 23.415 8.739
189 HE22 GLN 27 HE22 GLN 27 24.387 22.421 9.289
190 H TYR 28 H TYR 28 23.287 25.993 11.774
191 HA TYR 28 HA TYR 28 23.396 27.181 14.526
192 HB2 TYR 28 HB2 TYR 28 22.012 28.986 13.798
193 HB3 TYR 28 HB3 TYR 28 23.413 28.928 12.755
194 HD1 TYR 28 HD1 TYR 28 23.203 28.072 10.390
195 HD2 TYR 28 HD2 TYR 28 19.765 28.610 12.952
196 HE1 TYR 28 HE1 TYR 28 21.702 27.851 8.423
197 HE2 TYR 28 HE2 TYR 28 18.266 28.409 10.960
198 HH TYR 28 HH TYR 28 19.515 27.526 7.759
199 H LYS 29 H LYS 29 21.536 25.183 12.262
200 HA LYS 29 HA LYS 29 19.053 25.214 13.750
201 HB2 LYS 29 HB2 LYS 29 20.210 23.180 11.785
202 HB3 LYS 29 HB3 LYS 29 18.551 23.182 12.392
203 HG2 LYS 29 HG2 LYS 29 18.185 25.437 11.400
204 HG3 LYS 29 HG3 LYS 29 19.822 25.386 10.710
205 HD2 LYS 29 HD2 LYS 29 19.246 23.384 9.406
206 HD3 LYS 29 HD3 LYS 29 17.632 23.341 10.157
207 HE2 LYS 29 HE2 LYS 29 17.059 25.500 9.177
208 HE3 LYS 29 HE3 LYS 29 18.667 25.638 8.449
209 HZ1 LYS 29 HZ1 LYS 29 18.204 23.824 7.016
210 HZ2 LYS 29 HZ2 LYS 29 16.894 23.353 7.840
211 HZ3 LYS 29 HZ3 LYS 29 16.829 24.746 6.958
212 H TYR 30 H TYR 30 22.026 23.661 14.464
213 HA TYR 30 HA TYR 30 20.828 21.996 16.586
214 HB2 TYR 30 HB2 TYR 30 20.724 20.643 14.518
215 HB3 TYR 30 HB3 TYR 30 22.437 20.893 14.250
216 HD1 TYR 30 HD1 TYR 30 19.921 19.233 16.437
217 HD2 TYR 30 HD2 TYR 30 24.089 19.549 15.391
218 HE1 TYR 30 HE1 TYR 30 20.401 17.160 17.716
219 HE2 TYR 30 HE2 TYR 30 24.579 17.510 16.731
220 HH TYR 30 HH TYR 30 23.696 16.013 18.326
221 H CYS 31 H CYS 31 22.199 21.760 18.327
222 HA CYS 31 HA CYS 31 24.849 23.042 18.287
223 HB2 CYS 31 HB2 CYS 31 23.493 23.242 20.294
224 HB3 CYS 31 HB3 CYS 31 23.369 21.480 20.415
225 H GLN 32 H GLN 32 26.662 22.085 17.669
226 HA GLN 32 HA GLN 32 26.770 19.119 17.329
227 HB2 GLN 32 HB2 GLN 32 28.359 21.362 16.042
228 HB3 GLN 32 HB3 GLN 32 28.651 19.634 15.763
229 HG2 GLN 32 HG2 GLN 32 26.435 19.364 14.776
230 HG3 GLN 32 HG3 GLN 32 26.006 21.036 15.133
231 HE21 GLN 32 HE21 GLN 32 27.156 20.721 11.545
232 HE22 GLN 32 HE22 GLN 32 25.922 19.868 12.481
233 H CYS 33 H CYS 33 28.446 17.892 18.238
234 HA CYS 33 HA CYS 33 30.271 19.327 20.093
235 HB2 CYS 33 HB2 CYS 33 28.849 16.796 20.882
236 HB3 CYS 33 HB3 CYS 33 29.795 17.921 21.899
237 H GLN 34 H GLN 34 32.079 18.295 20.829
238 HA GLN 34 HA GLN 34 33.519 17.046 18.608
239 HB2 GLN 34 HB2 GLN 34 34.467 18.285 21.215
240 HB3 GLN 34 HB3 GLN 34 35.521 17.685 19.922
241 HG2 GLN 34 HG2 GLN 34 34.304 19.298 18.360
242 HG3 GLN 34 HG3 GLN 34 33.547 20.009 19.781
243 HE21 GLN 34 HE21 GLN 34 36.393 22.224 19.239
244 HE22 GLN 34 HE22 GLN 34 34.781 21.906 18.592
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 13.530 31.534 15.923
2 H2 GLY 1 H2 GLY 1 12.045 32.019 16.425
3 H3 GLY 1 H3 GLY 1 12.177 31.014 15.135
4 HA2 GLY 1 HA2 GLY 1 11.469 29.744 17.031
5 HA3 GLY 1 HA3 GLY 1 13.087 29.269 16.530
6 H SER 2 H SER 2 13.020 28.478 18.888
7 HA SER 2 HA SER 2 13.717 30.570 20.857
8 HB2 SER 2 HB2 SER 2 12.416 28.685 21.648
9 HB3 SER 2 HB3 SER 2 13.689 27.559 21.122
10 HG SER 2 HG SER 2 14.113 29.672 23.016
11 H ALA 3 H ALA 3 15.693 31.246 21.375
12 HA ALA 3 HA ALA 3 17.936 30.637 19.723
13 HB1 ALA 3 HB1 ALA 3 17.720 32.218 22.317
14 HB2 ALA 3 HB2 ALA 3 19.062 32.296 21.157
15 HB3 ALA 3 HB3 ALA 3 17.451 32.855 20.676
16 H CYS 4 H CYS 4 20.062 29.933 20.351
17 HA CYS 4 HA CYS 4 20.111 27.452 21.741
18 HB2 CYS 4 HB2 CYS 4 21.593 28.008 19.873
19 HB3 CYS 4 HB3 CYS 4 22.349 29.281 20.828
20 H GLN 5 H GLN 5 20.951 26.800 23.720
21 HA GLN 5 HA GLN 5 20.800 28.666 25.922
22 HB2 GLN 5 HB2 GLN 5 21.756 25.784 25.783
23 HB3 GLN 5 HB3 GLN 5 21.471 26.687 27.275
24 HG2 GLN 5 HG2 GLN 5 19.327 26.036 25.200
25 HG3 GLN 5 HG3 GLN 5 19.606 25.142 26.677
26 HE21 GLN 5 HE21 GLN 5 16.794 27.545 27.271
27 HE22 GLN 5 HE22 GLN 5 17.083 26.205 26.177
28 H PHE 6 H PHE 6 22.465 29.055 27.554
29 HA PHE 6 HA PHE 6 24.786 30.243 26.397
30 HB2 PHE 6 HB2 PHE 6 24.176 29.622 29.313
31 HB3 PHE 6 HB3 PHE 6 25.359 30.774 28.730
32 HD1 PHE 6 HD1 PHE 6 24.571 32.838 27.445
33 HD2 PHE 6 HD2 PHE 6 21.883 30.255 29.621
34 HE1 PHE 6 HE1 PHE 6 22.859 34.642 27.468
35 HE2 PHE 6 HE2 PHE 6 20.165 32.055 29.632
36 HZ PHE 6 HZ PHE 6 20.656 34.243 28.557
37 H TRP 7 H TRP 7 24.517 27.428 28.554
38 HA TRP 7 HA TRP 7 26.913 26.166 27.345
39 HB2 TRP 7 HB2 TRP 7 27.998 25.809 29.490
40 HB3 TRP 7 HB3 TRP 7 27.840 27.512 29.137
41 HD1 TRP 7 HD1 TRP 7 26.512 29.004 30.803
42 HE1 TRP 7 HE1 TRP 7 25.502 28.664 33.134
43 HE3 TRP 7 HE3 TRP 7 26.782 23.883 31.050
44 HZ2 TRP 7 HZ2 TRP 7 24.946 26.451 34.906
45 HZ3 TRP 7 HZ3 TRP 7 26.047 22.690 33.099
46 HH2 TRP 7 HH2 TRP 7 25.129 23.959 35.034
47 H SER 8 H SER 8 23.788 25.800 28.609
48 HA SER 8 HA SER 8 23.764 23.302 29.785
49 HB2 SER 8 HB2 SER 8 21.891 24.825 29.704
50 HB3 SER 8 HB3 SER 8 21.730 24.595 27.946
51 HG SER 8 HG SER 8 20.282 23.453 29.492
52 H CYS 9 H CYS 9 24.254 23.828 26.303
53 HA CYS 9 HA CYS 9 23.601 21.177 25.398
54 HB2 CYS 9 HB2 CYS 9 23.982 23.060 23.882
55 HB3 CYS 9 HB3 CYS 9 25.660 23.193 24.423
56 H ASN 10 H ASN 10 26.489 22.525 26.981
57 HA ASN 10 HA ASN 10 28.321 20.429 26.578
58 HB2 ASN 10 HB2 ASN 10 28.072 22.282 28.980
59 HB3 ASN 10 HB3 ASN 10 29.515 21.388 28.511
60 HD21 ASN 10 HD21 ASN 10 30.132 24.808 27.382
61 HD22 ASN 10 HD22 ASN 10 30.217 23.814 28.836
62 H SER 11 H SER 11 25.676 20.690 28.934
63 HA SER 11 HA SER 11 26.491 18.586 30.687
64 HB2 SER 11 HB2 SER 11 24.808 20.288 31.263
65 HB3 SER 11 HB3 SER 11 23.707 19.614 30.054
66 HG SER 11 HG SER 11 24.773 18.141 32.256
67 H SER 12 H SER 12 24.900 18.408 27.512
68 HA SER 12 HA SER 12 24.484 15.470 27.860
69 HB2 SER 12 HB2 SER 12 22.767 16.734 26.609
70 HB3 SER 12 HB3 SER 12 23.993 17.170 25.396
71 HG SER 12 HG SER 12 23.782 15.237 24.572
72 H CYS 13 H CYS 13 26.561 17.794 26.068
73 HA CYS 13 HA CYS 13 28.032 15.976 24.547
74 HB2 CYS 13 HB2 CYS 13 29.090 18.469 25.948
75 HB3 CYS 13 HB3 CYS 13 29.831 17.676 24.598
76 H ILE 14 H ILE 14 28.688 16.899 27.992
77 HA ILE 14 HA ILE 14 31.045 15.323 28.293
78 HB ILE 14 HB ILE 14 28.954 16.265 30.262
79 HG12 ILE 14 HG12 ILE 14 31.829 17.201 29.867
80 HG13 ILE 14 HG13 ILE 14 30.489 17.908 28.982
81 HG21 ILE 14 HG21 ILE 14 31.626 14.921 30.878
82 HG22 ILE 14 HG22 ILE 14 30.583 15.717 32.073
83 HG23 ILE 14 HG23 ILE 14 30.014 14.269 31.261
84 HD11 ILE 14 HD11 ILE 14 30.827 17.966 32.003
85 HD12 ILE 14 HD12 ILE 14 30.945 19.316 30.863
86 HD13 ILE 14 HD13 ILE 14 29.380 18.530 31.130
87 H SER 15 H SER 15 27.611 14.354 28.814
88 HA SER 15 HA SER 15 28.252 11.642 29.476
89 HB2 SER 15 HB2 SER 15 25.728 12.975 28.456
90 HB3 SER 15 HB3 SER 15 25.812 11.237 28.808
91 HG SER 15 HG SER 15 26.454 13.314 30.670
92 H ARG 16 H ARG 16 27.708 13.154 26.255
93 HA ARG 16 HA ARG 16 27.994 10.650 24.801
94 HB2 ARG 16 HB2 ARG 16 28.503 13.517 23.980
95 HB3 ARG 16 HB3 ARG 16 28.448 12.140 22.876
96 HG2 ARG 16 HG2 ARG 16 26.145 13.398 24.398
97 HG3 ARG 16 HG3 ARG 16 26.473 13.422 22.686
98 HD2 ARG 16 HD2 ARG 16 24.869 11.772 22.736
99 HD3 ARG 16 HD3 ARG 16 26.326 10.781 22.902
100 HE ARG 16 HE ARG 16 24.798 11.816 25.261
101 HH11 ARG 16 HH11 ARG 16 25.984 8.882 23.699
102 HH12 ARG 16 HH12 ARG 16 26.047 8.033 25.223
103 HH21 ARG 16 HH21 ARG 16 24.514 10.651 26.921
104 HH22 ARG 16 HH22 ARG 16 25.166 9.019 27.078
105 H GLY 17 H GLY 17 30.347 12.362 26.583
106 HA2 GLY 17 HA2 GLY 17 32.552 11.628 26.921
107 HA3 GLY 17 HA3 GLY 17 32.518 10.703 25.421
108 H TYR 18 H TYR 18 31.747 14.147 25.955
109 HA TYR 18 HA TYR 18 34.111 15.031 24.362
110 HB2 TYR 18 HB2 TYR 18 31.284 16.119 24.318
111 HB3 TYR 18 HB3 TYR 18 32.606 16.790 23.421
112 HD1 TYR 18 HD1 TYR 18 29.754 15.014 22.962
113 HD2 TYR 18 HD2 TYR 18 33.948 14.667 22.066
114 HE1 TYR 18 HE1 TYR 18 29.229 13.407 21.131
115 HE2 TYR 18 HE2 TYR 18 33.428 13.070 20.240
116 HH TYR 18 HH TYR 18 30.058 11.945 19.632
117 H ARG 19 H ARG 19 34.457 17.505 24.739
118 HA ARG 19 HA ARG 19 34.566 17.975 27.701
119 HB2 ARG 19 HB2 ARG 19 35.954 19.128 25.287
120 HB3 ARG 19 HB3 ARG 19 35.646 20.227 26.624
121 HG2 ARG 19 HG2 ARG 19 37.852 19.300 26.801
122 HG3 ARG 19 HG3 ARG 19 36.863 18.788 28.174
123 HD2 ARG 19 HD2 ARG 19 36.570 16.576 27.204
124 HD3 ARG 19 HD3 ARG 19 37.347 17.081 25.702
125 HE ARG 19 HE ARG 19 39.461 17.355 26.911
126 HH11 ARG 19 HH11 ARG 19 37.104 15.556 28.852
127 HH12 ARG 19 HH12 ARG 19 38.361 14.458 29.397
128 HH21 ARG 19 HH21 ARG 19 40.919 16.212 28.067
129 HH22 ARG 19 HH22 ARG 19 40.379 14.817 29.011
130 H GLN 20 H GLN 20 33.386 19.686 24.810
131 HA GLN 20 HA GLN 20 31.102 20.842 26.266
132 HB2 GLN 20 HB2 GLN 20 33.240 22.638 25.029
133 HB3 GLN 20 HB3 GLN 20 31.689 23.143 25.694
134 HG2 GLN 20 HG2 GLN 20 32.442 22.229 27.933
135 HG3 GLN 20 HG3 GLN 20 34.057 22.032 27.230
136 HE21 GLN 20 HE21 GLN 20 33.546 25.965 27.046
137 HE22 GLN 20 HE22 GLN 20 33.056 24.885 25.755
138 H GLY 21 H GLY 21 29.694 22.086 24.797
139 HA2 GLY 21 HA2 GLY 21 30.003 21.417 21.919
140 HA3 GLY 21 HA3 GLY 21 28.449 21.436 22.728
141 H LYS 22 H LYS 22 29.171 22.796 20.399
142 HA LYS 22 HA LYS 22 28.790 25.666 21.116
143 HB2 LYS 22 HB2 LYS 22 30.763 24.550 19.094
144 HB3 LYS 22 HB3 LYS 22 30.259 26.246 19.145
145 HG2 LYS 22 HG2 LYS 22 31.141 26.511 21.403
146 HG3 LYS 22 HG3 LYS 22 31.572 24.813 21.498
147 HD2 LYS 22 HD2 LYS 22 32.816 26.836 19.586
148 HD3 LYS 22 HD3 LYS 22 33.517 26.233 21.107
149 HE2 LYS 22 HE2 LYS 22 33.140 23.867 20.075
150 HE3 LYS 22 HE3 LYS 22 32.990 24.714 18.534
151 HZ1 LYS 22 HZ1 LYS 22 35.268 23.967 18.962
152 HZ2 LYS 22 HZ2 LYS 22 35.241 25.643 18.986
153 HZ3 LYS 22 HZ3 LYS 22 35.327 24.795 20.363
154 H CYS 23 H CYS 23 27.436 26.749 19.815
155 HA CYS 23 HA CYS 23 26.028 25.320 17.595
156 HB2 CYS 23 HB2 CYS 23 24.016 26.598 18.336
157 HB3 CYS 23 HB3 CYS 23 24.560 25.352 19.453
158 H TRP 24 H TRP 24 27.577 28.306 18.679
159 HA TRP 24 HA TRP 24 26.556 29.980 16.607
160 HB2 TRP 24 HB2 TRP 24 27.778 31.612 17.523
161 HB3 TRP 24 HB3 TRP 24 27.752 30.538 18.891
162 HD1 TRP 24 HD1 TRP 24 30.141 29.021 19.162
163 HE1 TRP 24 HE1 TRP 24 32.580 29.741 18.724
164 HE3 TRP 24 HE3 TRP 24 29.274 33.064 16.130
165 HZ2 TRP 24 HZ2 TRP 24 33.952 31.851 17.360
166 HZ3 TRP 24 HZ3 TRP 24 31.171 34.427 15.307
167 HH2 TRP 24 HH2 TRP 24 33.510 33.843 15.911
168 H GLY 25 H GLY 25 27.712 30.972 14.875
169 HA2 GLY 25 HA2 GLY 25 29.237 30.964 13.059
170 HA3 GLY 25 HA3 GLY 25 29.813 29.367 13.515
171 H ILE 26 H ILE 26 26.628 28.908 13.759
172 HA ILE 26 HA ILE 26 25.074 27.786 12.598
173 HB ILE 26 HB ILE 26 25.366 29.801 10.372
174 HG12 ILE 26 HG12 ILE 26 24.180 30.308 13.143
175 HG13 ILE 26 HG13 ILE 26 25.599 31.087 12.454
176 HG21 ILE 26 HG21 ILE 26 22.960 29.548 10.235
177 HG22 ILE 26 HG22 ILE 26 23.605 27.917 10.319
178 HG23 ILE 26 HG23 ILE 26 22.896 28.649 11.766
179 HD11 ILE 26 HD11 ILE 26 22.745 31.450 11.503
180 HD12 ILE 26 HD12 ILE 26 23.791 32.629 12.305
181 HD13 ILE 26 HD13 ILE 26 24.184 32.086 10.662
182 H GLN 27 H GLN 27 27.108 26.320 12.466
183 HA GLN 27 HA GLN 27 27.908 25.428 9.771
184 HB2 GLN 27 HB2 GLN 27 28.380 24.135 12.494
185 HB3 GLN 27 HB3 GLN 27 29.206 23.783 10.974
186 HG2 GLN 27 HG2 GLN 27 29.984 26.239 11.008
187 HG3 GLN 27 HG3 GLN 27 29.430 26.300 12.683
188 HE21 GLN 27 HE21 GLN 27 33.086 25.335 12.490
189 HE22 GLN 27 HE22 GLN 27 32.188 26.612 11.664
190 H TYR 28 H TYR 28 25.528 24.647 12.228
191 HA TYR 28 HA TYR 28 24.119 22.822 10.435
192 HB2 TYR 28 HB2 TYR 28 25.754 21.315 11.526
193 HB3 TYR 28 HB3 TYR 28 25.236 21.881 13.104
194 HD1 TYR 28 HD1 TYR 28 23.563 20.519 9.983
195 HD2 TYR 28 HD2 TYR 28 23.957 20.329 14.282
196 HE1 TYR 28 HE1 TYR 28 21.819 18.743 10.071
197 HE2 TYR 28 HE2 TYR 28 22.212 18.568 14.363
198 HH TYR 28 HH TYR 28 20.561 17.360 11.428
199 H LYS 29 H LYS 29 22.025 22.148 11.392
200 HA LYS 29 HA LYS 29 20.478 24.333 12.268
201 HB2 LYS 29 HB2 LYS 29 19.992 22.026 11.024
202 HB3 LYS 29 HB3 LYS 29 19.638 21.447 12.652
203 HG2 LYS 29 HG2 LYS 29 17.948 23.354 12.844
204 HG3 LYS 29 HG3 LYS 29 18.327 23.759 11.151
205 HD2 LYS 29 HD2 LYS 29 17.802 21.248 10.669
206 HD3 LYS 29 HD3 LYS 29 17.040 21.234 12.257
207 HE2 LYS 29 HE2 LYS 29 16.347 23.040 9.895
208 HE3 LYS 29 HE3 LYS 29 15.461 21.598 10.392
209 HZ1 LYS 29 HZ1 LYS 29 14.283 23.331 11.293
210 HZ2 LYS 29 HZ2 LYS 29 15.145 22.808 12.598
211 HZ3 LYS 29 HZ3 LYS 29 15.626 24.166 11.795
212 H TYR 30 H TYR 30 22.295 22.121 14.224
213 HA TYR 30 HA TYR 30 21.252 23.322 16.702
214 HB2 TYR 30 HB2 TYR 30 19.772 21.418 16.314
215 HB3 TYR 30 HB3 TYR 30 21.148 20.348 16.106
216 HD1 TYR 30 HD1 TYR 30 19.987 22.881 18.683
217 HD2 TYR 30 HD2 TYR 30 21.522 18.914 17.907
218 HE1 TYR 30 HE1 TYR 30 20.148 22.458 21.125
219 HE2 TYR 30 HE2 TYR 30 21.626 18.485 20.351
220 HH TYR 30 HH TYR 30 20.956 21.040 22.758
221 H CYS 31 H CYS 31 22.495 22.446 18.637
222 HA CYS 31 HA CYS 31 25.212 23.187 18.441
223 HB2 CYS 31 HB2 CYS 31 23.751 23.317 20.470
224 HB3 CYS 31 HB3 CYS 31 23.765 21.559 20.559
225 H GLN 32 H GLN 32 27.146 22.047 18.498
226 HA GLN 32 HA GLN 32 27.133 19.079 18.281
227 HB2 GLN 32 HB2 GLN 32 28.469 21.030 16.376
228 HB3 GLN 32 HB3 GLN 32 28.966 19.344 16.512
229 HG2 GLN 32 HG2 GLN 32 26.821 18.538 15.784
230 HG3 GLN 32 HG3 GLN 32 26.099 20.142 15.845
231 HE21 GLN 32 HE21 GLN 32 27.250 19.116 12.313
232 HE22 GLN 32 HE22 GLN 32 26.555 18.116 13.590
233 H CYS 33 H CYS 33 29.039 18.073 19.074
234 HA CYS 33 HA CYS 33 30.565 19.859 20.930
235 HB2 CYS 33 HB2 CYS 33 30.145 17.013 21.589
236 HB3 CYS 33 HB3 CYS 33 30.360 18.420 22.639
237 H GLN 34 H GLN 34 32.579 19.187 21.754
238 HA GLN 34 HA GLN 34 33.986 17.011 20.414
239 HB2 GLN 34 HB2 GLN 34 35.919 18.305 19.747
240 HB3 GLN 34 HB3 GLN 34 34.476 18.852 18.898
241 HG2 GLN 34 HG2 GLN 34 34.300 20.805 20.426
242 HG3 GLN 34 HG3 GLN 34 35.754 20.248 21.263
243 HE21 GLN 34 HE21 GLN 34 37.922 21.158 18.450
244 HE22 GLN 34 HE22 GLN 34 37.581 19.644 19.262
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 12.974 23.570 16.375
2 H2 GLY 1 H2 GLY 1 12.506 22.006 16.606
3 H3 GLY 1 H3 GLY 1 13.933 22.562 17.216
4 HA2 GLY 1 HA2 GLY 1 11.263 23.434 18.089
5 HA3 GLY 1 HA3 GLY 1 12.374 22.377 18.995
6 H SER 2 H SER 2 13.145 23.545 20.695
7 HA SER 2 HA SER 2 13.190 26.358 20.864
8 HB2 SER 2 HB2 SER 2 14.879 24.446 22.511
9 HB3 SER 2 HB3 SER 2 14.267 26.035 22.997
10 HG SER 2 HG SER 2 12.147 25.199 22.890
11 H ALA 3 H ALA 3 15.125 27.763 21.470
12 HA ALA 3 HA ALA 3 16.930 27.942 19.277
13 HB1 ALA 3 HB1 ALA 3 17.046 29.285 22.007
14 HB2 ALA 3 HB2 ALA 3 17.879 29.820 20.538
15 HB3 ALA 3 HB3 ALA 3 16.111 29.862 20.608
16 H CYS 4 H CYS 4 19.307 28.002 19.353
17 HA CYS 4 HA CYS 4 20.364 25.510 20.484
18 HB2 CYS 4 HB2 CYS 4 20.662 26.562 18.123
19 HB3 CYS 4 HB3 CYS 4 21.859 27.595 18.875
20 H GLN 5 H GLN 5 21.611 25.368 22.379
21 HA GLN 5 HA GLN 5 22.006 27.748 23.977
22 HB2 GLN 5 HB2 GLN 5 22.999 24.915 24.325
23 HB3 GLN 5 HB3 GLN 5 23.340 26.197 25.472
24 HG2 GLN 5 HG2 GLN 5 20.467 25.714 24.717
25 HG3 GLN 5 HG3 GLN 5 21.283 24.551 25.759
26 HE21 GLN 5 HE21 GLN 5 20.665 26.508 28.612
27 HE22 GLN 5 HE22 GLN 5 20.787 24.902 27.902
28 H PHE 6 H PHE 6 23.472 29.253 23.626
29 HA PHE 6 HA PHE 6 25.572 29.328 21.820
30 HB2 PHE 6 HB2 PHE 6 25.389 30.700 24.522
31 HB3 PHE 6 HB3 PHE 6 26.442 31.198 23.212
32 HD1 PHE 6 HD1 PHE 6 23.848 30.532 21.153
33 HD2 PHE 6 HD2 PHE 6 24.699 33.095 24.532
34 HE1 PHE 6 HE1 PHE 6 22.114 32.104 20.399
35 HE2 PHE 6 HE2 PHE 6 22.960 34.688 23.746
36 HZ PHE 6 HZ PHE 6 21.643 34.172 21.701
37 H TRP 7 H TRP 7 25.859 28.464 25.254
38 HA TRP 7 HA TRP 7 28.352 26.967 24.692
39 HB2 TRP 7 HB2 TRP 7 29.537 28.074 26.550
40 HB3 TRP 7 HB3 TRP 7 29.271 29.073 25.147
41 HD1 TRP 7 HD1 TRP 7 28.327 31.378 25.522
42 HE1 TRP 7 HE1 TRP 7 27.474 32.737 27.523
43 HE3 TRP 7 HE3 TRP 7 28.037 27.608 28.991
44 HZ2 TRP 7 HZ2 TRP 7 26.782 32.251 30.279
45 HZ3 TRP 7 HZ3 TRP 7 27.256 28.086 31.291
46 HH2 TRP 7 HH2 TRP 7 26.641 30.403 31.952
47 H SER 8 H SER 8 25.509 27.426 26.724
48 HA SER 8 HA SER 8 26.221 25.519 28.743
49 HB2 SER 8 HB2 SER 8 23.500 26.266 27.640
50 HB3 SER 8 HB3 SER 8 23.757 25.279 29.086
51 HG SER 8 HG SER 8 24.602 26.992 30.135
52 H CYS 9 H CYS 9 25.520 24.945 25.390
53 HA CYS 9 HA CYS 9 24.541 22.281 25.439
54 HB2 CYS 9 HB2 CYS 9 24.687 23.618 23.399
55 HB3 CYS 9 HB3 CYS 9 26.437 23.689 23.526
56 H ASN 10 H ASN 10 27.773 23.512 26.157
57 HA ASN 10 HA ASN 10 29.426 21.300 26.147
58 HB2 ASN 10 HB2 ASN 10 29.864 23.710 26.708
59 HB3 ASN 10 HB3 ASN 10 29.161 23.453 28.306
60 HD21 ASN 10 HD21 ASN 10 32.172 22.102 29.582
61 HD22 ASN 10 HD22 ASN 10 30.463 22.384 29.902
62 H SER 11 H SER 11 26.968 22.060 28.682
63 HA SER 11 HA SER 11 27.626 19.947 30.477
64 HB2 SER 11 HB2 SER 11 24.967 21.357 29.988
65 HB3 SER 11 HB3 SER 11 25.370 20.367 31.400
66 HG SER 11 HG SER 11 25.720 22.484 31.933
67 H SER 12 H SER 12 25.488 19.977 27.621
68 HA SER 12 HA SER 12 24.496 17.251 27.997
69 HB2 SER 12 HB2 SER 12 23.164 18.728 26.634
70 HB3 SER 12 HB3 SER 12 24.543 19.102 25.588
71 HG SER 12 HG SER 12 23.085 16.672 25.792
72 H CYS 13 H CYS 13 27.087 18.783 25.999
73 HA CYS 13 HA CYS 13 27.961 16.491 24.662
74 HB2 CYS 13 HB2 CYS 13 29.658 18.818 25.668
75 HB3 CYS 13 HB3 CYS 13 30.112 17.693 24.419
76 H ILE 14 H ILE 14 29.114 17.651 27.874
77 HA ILE 14 HA ILE 14 31.041 15.589 28.268
78 HB ILE 14 HB ILE 14 29.423 17.200 30.272
79 HG12 ILE 14 HG12 ILE 14 32.352 17.591 29.495
80 HG13 ILE 14 HG13 ILE 14 31.074 18.380 28.598
81 HG21 ILE 14 HG21 ILE 14 31.923 15.479 30.699
82 HG22 ILE 14 HG22 ILE 14 31.260 16.600 31.899
83 HG23 ILE 14 HG23 ILE 14 30.321 15.211 31.407
84 HD11 ILE 14 HD11 ILE 14 31.608 18.767 31.567
85 HD12 ILE 14 HD12 ILE 14 31.904 19.909 30.256
86 HD13 ILE 14 HD13 ILE 14 30.239 19.471 30.668
87 H SER 15 H SER 15 27.496 15.521 28.745
88 HA SER 15 HA SER 15 27.571 12.911 30.038
89 HB2 SER 15 HB2 SER 15 25.224 12.900 29.965
90 HB3 SER 15 HB3 SER 15 25.625 14.612 30.203
91 HG SER 15 HG SER 15 25.320 14.876 27.917
92 H ARG 16 H ARG 16 27.472 13.948 26.684
93 HA ARG 16 HA ARG 16 27.028 11.214 25.679
94 HB2 ARG 16 HB2 ARG 16 27.795 13.784 24.252
95 HB3 ARG 16 HB3 ARG 16 27.263 12.290 23.479
96 HG2 ARG 16 HG2 ARG 16 25.599 14.204 25.167
97 HG3 ARG 16 HG3 ARG 16 25.496 13.894 23.454
98 HD2 ARG 16 HD2 ARG 16 23.760 12.570 24.073
99 HD3 ARG 16 HD3 ARG 16 25.047 11.378 24.305
100 HE ARG 16 HE ARG 16 24.466 13.031 26.676
101 HH11 ARG 16 HH11 ARG 16 23.549 10.018 25.059
102 HH12 ARG 16 HH12 ARG 16 22.998 9.349 26.594
103 HH21 ARG 16 HH21 ARG 16 23.412 12.162 28.432
104 HH22 ARG 16 HH22 ARG 16 22.617 10.614 28.250
105 H GLY 17 H GLY 17 29.645 12.534 27.155
106 HA2 GLY 17 HA2 GLY 17 31.740 11.618 27.430
107 HA3 GLY 17 HA3 GLY 17 31.421 10.480 26.115
108 H TYR 18 H TYR 18 31.196 14.007 25.841
109 HA TYR 18 HA TYR 18 33.617 14.105 24.060
110 HB2 TYR 18 HB2 TYR 18 31.086 15.764 24.067
111 HB3 TYR 18 HB3 TYR 18 32.475 16.138 23.084
112 HD1 TYR 18 HD1 TYR 18 29.343 14.619 23.063
113 HD2 TYR 18 HD2 TYR 18 33.322 14.056 21.532
114 HE1 TYR 18 HE1 TYR 18 28.439 13.150 21.250
115 HE2 TYR 18 HE2 TYR 18 32.418 12.666 19.682
116 HH TYR 18 HH TYR 18 30.332 12.191 18.503
117 H ARG 19 H ARG 19 34.584 16.398 24.058
118 HA ARG 19 HA ARG 19 35.055 17.202 26.876
119 HB2 ARG 19 HB2 ARG 19 36.879 16.861 25.025
120 HB3 ARG 19 HB3 ARG 19 36.373 18.433 24.444
121 HG2 ARG 19 HG2 ARG 19 38.273 18.756 25.851
122 HG3 ARG 19 HG3 ARG 19 36.862 19.460 26.635
123 HD2 ARG 19 HD2 ARG 19 38.273 18.336 28.224
124 HD3 ARG 19 HD3 ARG 19 36.718 17.498 28.134
125 HE ARG 19 HE ARG 19 38.096 15.978 26.426
126 HH11 ARG 19 HH11 ARG 19 39.294 17.132 29.566
127 HH12 ARG 19 HH12 ARG 19 40.507 15.851 29.564
128 HH21 ARG 19 HH21 ARG 19 39.595 14.475 26.602
129 HH22 ARG 19 HH22 ARG 19 40.656 14.419 28.007
130 H GLN 20 H GLN 20 34.120 18.855 23.856
131 HA GLN 20 HA GLN 20 32.384 20.708 25.409
132 HB2 GLN 20 HB2 GLN 20 34.430 21.823 23.451
133 HB3 GLN 20 HB3 GLN 20 33.281 22.705 24.443
134 HG2 GLN 20 HG2 GLN 20 34.557 21.984 26.485
135 HG3 GLN 20 HG3 GLN 20 35.750 21.232 25.416
136 HE21 GLN 20 HE21 GLN 20 37.359 24.434 25.845
137 HE22 GLN 20 HE22 GLN 20 37.328 22.795 26.506
138 H GLY 21 H GLY 21 30.876 21.880 24.135
139 HA2 GLY 21 HA2 GLY 21 30.893 21.842 21.229
140 HA3 GLY 21 HA3 GLY 21 29.534 20.951 21.909
141 H LYS 22 H LYS 22 29.915 23.625 20.453
142 HA LYS 22 HA LYS 22 28.378 25.459 22.276
143 HB2 LYS 22 HB2 LYS 22 30.929 25.976 20.684
144 HB3 LYS 22 HB3 LYS 22 29.969 27.254 21.406
145 HG2 LYS 22 HG2 LYS 22 30.642 26.809 23.545
146 HG3 LYS 22 HG3 LYS 22 30.874 25.093 23.296
147 HD2 LYS 22 HD2 LYS 22 32.762 27.200 22.188
148 HD3 LYS 22 HD3 LYS 22 32.971 26.340 23.721
149 HE2 LYS 22 HE2 LYS 22 32.906 24.154 22.438
150 HE3 LYS 22 HE3 LYS 22 32.939 25.090 20.942
151 HZ1 LYS 22 HZ1 LYS 22 35.183 24.434 21.585
152 HZ2 LYS 22 HZ2 LYS 22 35.061 26.061 21.703
153 HZ3 LYS 22 HZ3 LYS 22 35.037 25.098 23.058
154 H CYS 23 H CYS 23 26.819 26.692 21.251
155 HA CYS 23 HA CYS 23 26.347 26.270 18.370
156 HB2 CYS 23 HB2 CYS 23 24.791 27.826 20.447
157 HB3 CYS 23 HB3 CYS 23 24.309 27.590 18.775
158 H TRP 24 H TRP 24 28.474 27.310 17.837
159 HA TRP 24 HA TRP 24 28.478 30.295 17.954
160 HB2 TRP 24 HB2 TRP 24 30.801 30.178 17.588
161 HB3 TRP 24 HB3 TRP 24 30.406 29.033 18.847
162 HD1 TRP 24 HD1 TRP 24 30.749 26.439 18.299
163 HE1 TRP 24 HE1 TRP 24 32.097 25.186 16.552
164 HE3 TRP 24 HE3 TRP 24 31.698 30.321 15.089
165 HZ2 TRP 24 HZ2 TRP 24 33.401 25.765 14.027
166 HZ3 TRP 24 HZ3 TRP 24 33.053 29.944 13.045
167 HH2 TRP 24 HH2 TRP 24 33.910 27.674 12.497
168 H GLY 25 H GLY 25 27.721 27.837 15.706
169 HA2 GLY 25 HA2 GLY 25 28.855 28.894 13.332
170 HA3 GLY 25 HA3 GLY 25 27.579 27.695 13.426
171 H ILE 26 H ILE 26 27.617 29.307 11.337
172 HA ILE 26 HA ILE 26 25.537 31.426 11.661
173 HB ILE 26 HB ILE 26 27.332 30.593 9.361
174 HG12 ILE 26 HG12 ILE 26 27.201 33.299 10.769
175 HG13 ILE 26 HG13 ILE 26 28.240 32.006 11.341
176 HG21 ILE 26 HG21 ILE 26 26.390 32.533 8.111
177 HG22 ILE 26 HG22 ILE 26 25.175 31.308 8.406
178 HG23 ILE 26 HG23 ILE 26 25.196 32.781 9.403
179 HD11 ILE 26 HD11 ILE 26 29.554 33.470 9.975
180 HD12 ILE 26 HD12 ILE 26 29.389 31.915 9.140
181 HD13 ILE 26 HD13 ILE 26 28.433 33.324 8.613
182 H GLN 27 H GLN 27 26.089 28.226 10.179
183 HA GLN 27 HA GLN 27 23.580 28.029 8.810
184 HB2 GLN 27 HB2 GLN 27 25.474 25.931 9.922
185 HB3 GLN 27 HB3 GLN 27 24.069 25.541 8.933
186 HG2 GLN 27 HG2 GLN 27 24.992 26.872 7.066
187 HG3 GLN 27 HG3 GLN 27 26.403 27.295 8.045
188 HE21 GLN 27 HE21 GLN 27 27.265 24.365 5.854
189 HE22 GLN 27 HE22 GLN 27 26.689 26.004 5.562
190 H TYR 28 H TYR 28 21.616 27.097 9.356
191 HA TYR 28 HA TYR 28 20.897 27.215 12.221
192 HB2 TYR 28 HB2 TYR 28 19.249 27.023 9.678
193 HB3 TYR 28 HB3 TYR 28 18.565 26.990 11.301
194 HD1 TYR 28 HD1 TYR 28 20.177 29.130 8.756
195 HD2 TYR 28 HD2 TYR 28 18.635 28.956 12.780
196 HE1 TYR 28 HE1 TYR 28 20.361 31.609 8.942
197 HE2 TYR 28 HE2 TYR 28 18.818 31.432 12.958
198 HH TYR 28 HH TYR 28 19.721 33.317 12.025
199 H LYS 29 H LYS 29 21.871 25.401 13.066
200 HA LYS 29 HA LYS 29 20.664 22.735 12.454
201 HB2 LYS 29 HB2 LYS 29 23.628 23.407 12.669
202 HB3 LYS 29 HB3 LYS 29 22.983 21.769 12.630
203 HG2 LYS 29 HG2 LYS 29 22.269 21.998 10.348
204 HG3 LYS 29 HG3 LYS 29 22.535 23.738 10.371
205 HD2 LYS 29 HD2 LYS 29 24.321 22.612 9.143
206 HD3 LYS 29 HD3 LYS 29 24.890 23.547 10.537
207 HE2 LYS 29 HE2 LYS 29 26.128 21.492 10.427
208 HE3 LYS 29 HE3 LYS 29 25.139 21.467 11.860
209 HZ1 LYS 29 HZ1 LYS 29 25.092 19.385 10.544
210 HZ2 LYS 29 HZ2 LYS 29 23.590 19.985 10.759
211 HZ3 LYS 29 HZ3 LYS 29 24.418 20.162 9.291
212 H TYR 30 H TYR 30 20.748 21.203 14.151
213 HA TYR 30 HA TYR 30 20.743 22.151 16.855
214 HB2 TYR 30 HB2 TYR 30 19.596 20.100 15.836
215 HB3 TYR 30 HB3 TYR 30 21.143 19.272 15.971
216 HD1 TYR 30 HD1 TYR 30 22.058 18.731 18.260
217 HD2 TYR 30 HD2 TYR 30 18.224 20.625 17.740
218 HE1 TYR 30 HE1 TYR 30 21.493 18.243 20.639
219 HE2 TYR 30 HE2 TYR 30 17.647 20.090 20.099
220 HH TYR 30 HH TYR 30 18.287 18.565 21.871
221 H CYS 31 H CYS 31 22.198 21.569 18.611
222 HA CYS 31 HA CYS 31 24.870 22.315 18.054
223 HB2 CYS 31 HB2 CYS 31 23.612 22.716 20.180
224 HB3 CYS 31 HB3 CYS 31 23.802 21.009 20.562
225 H GLN 32 H GLN 32 26.848 21.298 18.366
226 HA GLN 32 HA GLN 32 27.054 18.345 18.304
227 HB2 GLN 32 HB2 GLN 32 27.949 20.293 16.173
228 HB3 GLN 32 HB3 GLN 32 28.965 18.913 16.542
229 HG2 GLN 32 HG2 GLN 32 27.100 17.353 16.106
230 HG3 GLN 32 HG3 GLN 32 26.047 18.725 15.714
231 HE21 GLN 32 HE21 GLN 32 29.172 17.926 13.094
232 HE22 GLN 32 HE22 GLN 32 29.373 17.523 14.793
233 H CYS 33 H CYS 33 29.085 17.535 18.909
234 HA CYS 33 HA CYS 33 30.824 19.409 20.452
235 HB2 CYS 33 HB2 CYS 33 30.130 16.640 21.366
236 HB3 CYS 33 HB3 CYS 33 30.680 18.025 22.319
237 H GLN 34 H GLN 34 32.862 18.405 21.207
238 HA GLN 34 HA GLN 34 33.963 16.072 19.780
239 HB2 GLN 34 HB2 GLN 34 35.250 18.841 19.652
240 HB3 GLN 34 HB3 GLN 34 36.078 17.326 19.277
241 HG2 GLN 34 HG2 GLN 34 34.304 16.891 17.531
242 HG3 GLN 34 HG3 GLN 34 33.726 18.538 17.777
243 HE21 GLN 34 HE21 GLN 34 36.667 18.001 15.162
244 HE22 GLN 34 HE22 GLN 34 35.418 16.842 15.618
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 14.614 32.279 16.283
2 H2 GLY 1 H2 GLY 1 15.657 33.518 15.984
3 H3 GLY 1 H3 GLY 1 14.946 33.373 17.465
4 HA2 GLY 1 HA2 GLY 1 16.850 31.462 16.278
5 HA3 GLY 1 HA3 GLY 1 17.257 32.683 17.506
6 H SER 2 H SER 2 17.588 31.643 19.378
7 HA SER 2 HA SER 2 17.343 30.310 21.166
8 HB2 SER 2 HB2 SER 2 14.381 30.750 20.792
9 HB3 SER 2 HB3 SER 2 15.238 30.346 22.293
10 HG SER 2 HG SER 2 15.188 32.710 20.800
11 H ALA 3 H ALA 3 17.806 28.760 18.942
12 HA ALA 3 HA ALA 3 16.205 26.281 19.347
13 HB1 ALA 3 HB1 ALA 3 18.247 27.119 17.266
14 HB2 ALA 3 HB2 ALA 3 17.401 25.551 17.295
15 HB3 ALA 3 HB3 ALA 3 16.487 27.050 17.054
16 H CYS 4 H CYS 4 19.324 27.686 20.090
17 HA CYS 4 HA CYS 4 19.990 25.465 21.878
18 HB2 CYS 4 HB2 CYS 4 22.220 25.121 20.889
19 HB3 CYS 4 HB3 CYS 4 20.940 24.647 19.775
20 H GLN 5 H GLN 5 21.617 26.023 23.439
21 HA GLN 5 HA GLN 5 22.156 28.919 23.787
22 HB2 GLN 5 HB2 GLN 5 23.028 26.555 25.492
23 HB3 GLN 5 HB3 GLN 5 23.265 28.253 25.880
24 HG2 GLN 5 HG2 GLN 5 20.623 26.769 25.721
25 HG3 GLN 5 HG3 GLN 5 21.411 27.404 27.161
26 HE21 GLN 5 HE21 GLN 5 20.482 30.849 25.612
27 HE22 GLN 5 HE22 GLN 5 22.058 30.128 25.898
28 H PHE 6 H PHE 6 24.240 29.848 23.972
29 HA PHE 6 HA PHE 6 25.836 29.319 21.720
30 HB2 PHE 6 HB2 PHE 6 26.474 30.823 24.277
31 HB3 PHE 6 HB3 PHE 6 27.413 30.948 22.794
32 HD1 PHE 6 HD1 PHE 6 24.423 30.874 21.197
33 HD2 PHE 6 HD2 PHE 6 26.487 33.353 24.075
34 HE1 PHE 6 HE1 PHE 6 23.122 32.823 20.450
35 HE2 PHE 6 HE2 PHE 6 25.176 35.318 23.305
36 HZ PHE 6 HZ PHE 6 23.486 35.049 21.488
37 H TRP 7 H TRP 7 26.621 28.529 25.106
38 HA TRP 7 HA TRP 7 28.572 26.463 24.180
39 HB2 TRP 7 HB2 TRP 7 30.224 27.415 25.846
40 HB3 TRP 7 HB3 TRP 7 30.012 28.310 24.347
41 HD1 TRP 7 HD1 TRP 7 29.423 30.767 24.515
42 HE1 TRP 7 HE1 TRP 7 28.921 32.431 26.384
43 HE3 TRP 7 HE3 TRP 7 29.226 27.510 28.470
44 HZ2 TRP 7 HZ2 TRP 7 28.215 32.325 29.193
45 HZ3 TRP 7 HZ3 TRP 7 28.652 28.329 30.740
46 HH2 TRP 7 HH2 TRP 7 28.121 30.729 31.109
47 H SER 8 H SER 8 26.480 27.727 26.779
48 HA SER 8 HA SER 8 27.287 25.797 28.694
49 HB2 SER 8 HB2 SER 8 25.455 26.370 29.996
50 HB3 SER 8 HB3 SER 8 25.788 27.839 29.068
51 HG SER 8 HG SER 8 23.818 27.698 28.407
52 H CYS 9 H CYS 9 25.530 25.264 25.826
53 HA CYS 9 HA CYS 9 24.104 22.880 26.296
54 HB2 CYS 9 HB2 CYS 9 24.237 24.374 24.234
55 HB3 CYS 9 HB3 CYS 9 25.761 23.573 23.843
56 H ASN 10 H ASN 10 27.625 23.399 26.281
57 HA ASN 10 HA ASN 10 28.502 20.771 25.841
58 HB2 ASN 10 HB2 ASN 10 29.959 22.833 26.106
59 HB3 ASN 10 HB3 ASN 10 29.759 22.656 27.857
60 HD21 ASN 10 HD21 ASN 10 32.541 20.419 27.704
61 HD22 ASN 10 HD22 ASN 10 31.848 21.841 28.495
62 H SER 11 H SER 11 26.890 22.040 28.776
63 HA SER 11 HA SER 11 27.616 20.053 30.653
64 HB2 SER 11 HB2 SER 11 24.886 21.354 30.276
65 HB3 SER 11 HB3 SER 11 25.454 20.524 31.737
66 HG SER 11 HG SER 11 27.109 22.073 31.911
67 H SER 12 H SER 12 25.247 19.860 27.994
68 HA SER 12 HA SER 12 24.393 17.149 28.751
69 HB2 SER 12 HB2 SER 12 22.846 18.796 27.700
70 HB3 SER 12 HB3 SER 12 23.825 18.722 26.214
71 HG SER 12 HG SER 12 22.099 17.270 26.124
72 H CYS 13 H CYS 13 26.486 18.648 26.217
73 HA CYS 13 HA CYS 13 27.053 16.187 24.912
74 HB2 CYS 13 HB2 CYS 13 28.532 18.848 24.934
75 HB3 CYS 13 HB3 CYS 13 29.122 17.464 24.089
76 H ILE 14 H ILE 14 28.644 17.539 27.813
77 HA ILE 14 HA ILE 14 30.773 15.678 27.982
78 HB ILE 14 HB ILE 14 29.081 17.142 30.021
79 HG12 ILE 14 HG12 ILE 14 32.034 17.323 29.257
80 HG13 ILE 14 HG13 ILE 14 30.786 18.286 28.493
81 HG21 ILE 14 HG21 ILE 14 31.432 15.305 30.661
82 HG22 ILE 14 HG22 ILE 14 30.661 16.427 31.798
83 HG23 ILE 14 HG23 ILE 14 29.743 15.073 31.177
84 HD11 ILE 14 HD11 ILE 14 31.501 18.430 31.449
85 HD12 ILE 14 HD12 ILE 14 31.940 19.575 30.184
86 HD13 ILE 14 HD13 ILE 14 30.227 19.369 30.624
87 H SER 15 H SER 15 27.314 15.190 28.851
88 HA SER 15 HA SER 15 27.714 12.449 29.729
89 HB2 SER 15 HB2 SER 15 25.742 13.610 30.490
90 HB3 SER 15 HB3 SER 15 25.243 13.975 28.831
91 HG SER 15 HG SER 15 25.104 11.545 30.241
92 H ARG 16 H ARG 16 26.687 13.895 26.594
93 HA ARG 16 HA ARG 16 26.484 11.415 25.158
94 HB2 ARG 16 HB2 ARG 16 27.204 14.139 24.063
95 HB3 ARG 16 HB3 ARG 16 26.573 12.792 23.136
96 HG2 ARG 16 HG2 ARG 16 25.071 14.525 25.133
97 HG3 ARG 16 HG3 ARG 16 24.899 14.453 23.391
98 HD2 ARG 16 HD2 ARG 16 23.106 13.164 23.945
99 HD3 ARG 16 HD3 ARG 16 24.317 11.898 23.838
100 HE ARG 16 HE ARG 16 24.404 11.751 26.221
101 HH11 ARG 16 HH11 ARG 16 21.909 14.115 25.293
102 HH12 ARG 16 HH12 ARG 16 21.044 13.796 26.792
103 HH21 ARG 16 HH21 ARG 16 23.463 11.828 28.159
104 HH22 ARG 16 HH22 ARG 16 21.950 12.674 28.399
105 H GLY 17 H GLY 17 29.336 12.560 26.454
106 HA2 GLY 17 HA2 GLY 17 31.381 11.428 26.312
107 HA3 GLY 17 HA3 GLY 17 30.872 10.633 24.823
108 H TYR 18 H TYR 18 30.942 14.130 25.529
109 HA TYR 18 HA TYR 18 33.198 14.523 23.611
110 HB2 TYR 18 HB2 TYR 18 30.880 16.346 24.185
111 HB3 TYR 18 HB3 TYR 18 32.162 16.661 23.046
112 HD1 TYR 18 HD1 TYR 18 32.463 14.805 21.115
113 HD2 TYR 18 HD2 TYR 18 28.865 15.417 23.382
114 HE1 TYR 18 HE1 TYR 18 31.106 13.909 19.224
115 HE2 TYR 18 HE2 TYR 18 27.513 14.552 21.497
116 HH TYR 18 HH TYR 18 27.519 13.979 19.319
117 H ARG 19 H ARG 19 34.374 16.614 24.046
118 HA ARG 19 HA ARG 19 34.750 17.109 26.982
119 HB2 ARG 19 HB2 ARG 19 36.556 17.826 24.628
120 HB3 ARG 19 HB3 ARG 19 36.882 18.129 26.328
121 HG2 ARG 19 HG2 ARG 19 36.823 15.464 24.887
122 HG3 ARG 19 HG3 ARG 19 38.168 16.237 25.724
123 HD2 ARG 19 HD2 ARG 19 36.844 15.994 27.887
124 HD3 ARG 19 HD3 ARG 19 35.668 15.033 26.965
125 HE ARG 19 HE ARG 19 38.376 14.021 26.665
126 HH11 ARG 19 HH11 ARG 19 35.609 13.885 28.868
127 HH12 ARG 19 HH12 ARG 19 36.047 12.250 29.343
128 HH21 ARG 19 HH21 ARG 19 38.896 12.162 27.471
129 HH22 ARG 19 HH22 ARG 19 38.034 11.438 28.828
130 H GLN 20 H GLN 20 34.379 18.878 23.911
131 HA GLN 20 HA GLN 20 33.008 21.028 25.414
132 HB2 GLN 20 HB2 GLN 20 35.557 21.407 23.896
133 HB3 GLN 20 HB3 GLN 20 34.345 22.675 23.816
134 HG2 GLN 20 HG2 GLN 20 35.439 21.555 26.421
135 HG3 GLN 20 HG3 GLN 20 36.035 23.005 25.616
136 HE21 GLN 20 HE21 GLN 20 33.723 24.331 28.117
137 HE22 GLN 20 HE22 GLN 20 35.312 23.572 28.086
138 H GLY 21 H GLY 21 31.332 21.848 24.523
139 HA2 GLY 21 HA2 GLY 21 30.684 21.447 21.625
140 HA3 GLY 21 HA3 GLY 21 29.513 21.409 22.952
141 H LYS 22 H LYS 22 29.538 23.000 20.491
142 HA LYS 22 HA LYS 22 29.210 25.733 21.652
143 HB2 LYS 22 HB2 LYS 22 30.834 25.080 19.184
144 HB3 LYS 22 HB3 LYS 22 30.359 26.696 19.702
145 HG2 LYS 22 HG2 LYS 22 31.585 26.406 21.836
146 HG3 LYS 22 HG3 LYS 22 32.131 24.809 21.305
147 HD2 LYS 22 HD2 LYS 22 32.840 27.455 19.983
148 HD3 LYS 22 HD3 LYS 22 33.865 26.450 21.019
149 HE2 LYS 22 HE2 LYS 22 33.362 24.564 19.277
150 HE3 LYS 22 HE3 LYS 22 32.905 25.895 18.207
151 HZ1 LYS 22 HZ1 LYS 22 35.263 25.411 17.930
152 HZ2 LYS 22 HZ2 LYS 22 35.161 26.863 18.731
153 HZ3 LYS 22 HZ3 LYS 22 35.520 25.488 19.548
154 H CYS 23 H CYS 23 27.699 27.014 20.673
155 HA CYS 23 HA CYS 23 26.496 26.398 18.096
156 HB2 CYS 23 HB2 CYS 23 25.376 24.941 19.972
157 HB3 CYS 23 HB3 CYS 23 24.579 26.429 20.430
158 H TRP 24 H TRP 24 27.984 28.494 18.568
159 HA TRP 24 HA TRP 24 26.461 30.800 19.684
160 HB2 TRP 24 HB2 TRP 24 28.519 31.748 20.222
161 HB3 TRP 24 HB3 TRP 24 28.739 30.053 20.585
162 HD1 TRP 24 HD1 TRP 24 30.299 28.657 18.827
163 HE1 TRP 24 HE1 TRP 24 32.200 29.354 17.238
164 HE3 TRP 24 HE3 TRP 24 29.605 33.733 18.914
165 HZ2 TRP 24 HZ2 TRP 24 33.216 31.773 16.100
166 HZ3 TRP 24 HZ3 TRP 24 31.049 35.204 17.535
167 HH2 TRP 24 HH2 TRP 24 32.836 34.245 16.108
168 H GLY 25 H GLY 25 27.304 32.983 18.719
169 HA2 GLY 25 HA2 GLY 25 27.148 34.508 16.987
170 HA3 GLY 25 HA3 GLY 25 28.471 33.523 16.389
171 H ILE 26 H ILE 26 28.257 32.564 14.467
172 HA ILE 26 HA ILE 26 25.630 32.660 13.049
173 HB ILE 26 HB ILE 26 26.878 32.896 10.984
174 HG12 ILE 26 HG12 ILE 26 29.428 33.162 12.640
175 HG13 ILE 26 HG13 ILE 26 28.966 31.686 11.801
176 HG21 ILE 26 HG21 ILE 26 27.552 35.193 11.268
177 HG22 ILE 26 HG22 ILE 26 26.154 34.893 12.302
178 HG23 ILE 26 HG23 ILE 26 27.784 34.985 13.007
179 HD11 ILE 26 HD11 ILE 26 28.967 32.886 9.637
180 HD12 ILE 26 HD12 ILE 26 29.536 34.356 10.470
181 HD13 ILE 26 HD13 ILE 26 30.548 32.905 10.442
182 H GLN 27 H GLN 27 27.016 30.365 14.690
183 HA GLN 27 HA GLN 27 27.517 28.241 12.809
184 HB2 GLN 27 HB2 GLN 27 26.787 28.158 15.773
185 HB3 GLN 27 HB3 GLN 27 27.367 26.797 14.812
186 HG2 GLN 27 HG2 GLN 27 29.458 28.152 14.298
187 HG3 GLN 27 HG3 GLN 27 28.953 29.278 15.554
188 HE21 GLN 27 HE21 GLN 27 30.840 25.929 16.621
189 HE22 GLN 27 HE22 GLN 27 30.889 26.661 15.026
190 H TYR 28 H TYR 28 26.273 26.212 12.630
191 HA TYR 28 HA TYR 28 23.479 26.608 12.007
192 HB2 TYR 28 HB2 TYR 28 25.097 24.064 12.416
193 HB3 TYR 28 HB3 TYR 28 23.469 24.124 11.783
194 HD1 TYR 28 HD1 TYR 28 25.109 22.612 10.238
195 HD2 TYR 28 HD2 TYR 28 24.868 26.933 10.213
196 HE1 TYR 28 HE1 TYR 28 25.854 22.657 7.860
197 HE2 TYR 28 HE2 TYR 28 25.631 26.960 7.867
198 HH TYR 28 HH TYR 28 26.348 25.718 6.083
199 H LYS 29 H LYS 29 21.649 25.629 13.004
200 HA LYS 29 HA LYS 29 21.610 26.171 15.818
201 HB2 LYS 29 HB2 LYS 29 19.237 26.012 15.655
202 HB3 LYS 29 HB3 LYS 29 19.877 26.894 14.285
203 HG2 LYS 29 HG2 LYS 29 19.613 24.834 12.866
204 HG3 LYS 29 HG3 LYS 29 18.895 24.007 14.263
205 HD2 LYS 29 HD2 LYS 29 17.084 25.687 14.372
206 HD3 LYS 29 HD3 LYS 29 17.814 26.570 13.011
207 HE2 LYS 29 HE2 LYS 29 17.532 24.586 11.555
208 HE3 LYS 29 HE3 LYS 29 16.810 23.697 12.906
209 HZ1 LYS 29 HZ1 LYS 29 15.677 26.179 11.703
210 HZ2 LYS 29 HZ2 LYS 29 15.122 24.638 11.474
211 HZ3 LYS 29 HZ3 LYS 29 15.011 25.330 12.944
212 H TYR 30 H TYR 30 23.106 23.745 15.256
213 HA TYR 30 HA TYR 30 21.819 21.893 17.213
214 HB2 TYR 30 HB2 TYR 30 21.565 20.775 15.113
215 HB3 TYR 30 HB3 TYR 30 23.165 21.241 14.582
216 HD1 TYR 30 HD1 TYR 30 21.650 19.343 17.493
217 HD2 TYR 30 HD2 TYR 30 24.758 19.559 14.500
218 HE1 TYR 30 HE1 TYR 30 22.542 17.139 18.249
219 HE2 TYR 30 HE2 TYR 30 25.629 17.346 15.241
220 HH TYR 30 HH TYR 30 25.411 15.603 16.753
221 H CYS 31 H CYS 31 23.138 21.419 18.928
222 HA CYS 31 HA CYS 31 25.695 22.750 19.173
223 HB2 CYS 31 HB2 CYS 31 24.458 20.558 20.868
224 HB3 CYS 31 HB3 CYS 31 25.860 21.524 21.299
225 H GLN 32 H GLN 32 27.160 22.067 17.595
226 HA GLN 32 HA GLN 32 27.892 19.227 17.386
227 HB2 GLN 32 HB2 GLN 32 29.491 21.624 16.448
228 HB3 GLN 32 HB3 GLN 32 29.761 19.933 16.049
229 HG2 GLN 32 HG2 GLN 32 27.767 19.805 14.724
230 HG3 GLN 32 HG3 GLN 32 27.201 21.382 15.285
231 HE21 GLN 32 HE21 GLN 32 30.448 22.028 12.942
232 HE22 GLN 32 HE22 GLN 32 30.681 21.004 14.358
233 H CYS 33 H CYS 33 29.429 18.224 18.549
234 HA CYS 33 HA CYS 33 31.078 19.768 20.490
235 HB2 CYS 33 HB2 CYS 33 29.385 17.371 21.220
236 HB3 CYS 33 HB3 CYS 33 30.383 18.362 22.314
237 H GLN 34 H GLN 34 32.850 18.587 21.378
238 HA GLN 34 HA GLN 34 33.758 16.185 19.879
239 HB2 GLN 34 HB2 GLN 34 35.283 18.822 19.875
240 HB3 GLN 34 HB3 GLN 34 35.875 17.258 19.301
241 HG2 GLN 34 HG2 GLN 34 34.121 17.191 17.576
242 HG3 GLN 34 HG3 GLN 34 33.512 18.769 18.117
243 HE21 GLN 34 HE21 GLN 34 37.227 19.323 16.562
244 HE22 GLN 34 HE22 GLN 34 37.063 18.378 18.030