Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570003 | 2lu9 RC | 18513 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 11.651 27.734 26.014
2 H2 ALA 1 H2 ALA 1 11.654 26.849 27.419
3 H3 ALA 1 H3 ALA 1 10.483 27.976 27.142
4 HA ALA 1 HA ALA 1 9.619 25.773 26.812
5 HB1 ALA 1 3HB ALA 1 8.607 26.159 24.636
6 HB2 ALA 1 1HB ALA 1 8.768 27.717 25.457
7 HB3 ALA 1 2HB ALA 1 9.905 27.274 24.169
8 H PHE 2 H PHE 2 9.656 24.341 24.360
9 HA PHE 2 HA PHE 2 12.445 23.269 24.249
10 HB2 PHE 2 2HB PHE 2 10.462 21.769 24.909
11 HB3 PHE 2 3HB PHE 2 9.965 21.892 23.225
12 HD1 PHE 2 HD1 PHE 2 12.760 20.852 25.500
13 HD2 PHE 2 HD2 PHE 2 11.087 20.562 21.538
14 HE1 PHE 2 HE1 PHE 2 14.397 19.079 24.940
15 HE2 PHE 2 HE2 PHE 2 12.740 18.805 20.974
16 HZ PHE 2 HZ PHE 2 14.384 18.040 22.676
17 H CYS 3 H CYS 3 12.952 22.323 21.927
18 HA CYS 3 HA CYS 3 12.315 24.428 19.919
19 HB2 CYS 3 2HB CYS 3 14.933 23.351 20.818
20 HB3 CYS 3 3HB CYS 3 14.708 24.155 19.253
21 H ASN 4 H ASN 4 12.456 23.901 17.736
22 HA ASN 4 HA ASN 4 11.828 21.124 17.035
23 HB2 ASN 4 2HB ASN 4 11.930 23.743 15.529
24 HB3 ASN 4 3HB ASN 4 11.766 22.200 14.683
25 HD21 ASN 4 2HD2 ASN 4 9.873 24.577 15.188
26 HD22 ASN 4 1HD2 ASN 4 8.395 23.703 15.600
27 H LEU 5 H LEU 5 13.987 20.762 18.180
28 HA LEU 5 HA LEU 5 16.463 21.484 17.044
29 HB2 LEU 5 2HB LEU 5 15.697 19.226 18.940
30 HB3 LEU 5 3HB LEU 5 17.341 19.806 18.704
31 HG LEU 5 HG LEU 5 15.057 21.542 19.755
32 HD11 LEU 5 1HD1 LEU 5 16.090 21.282 21.949
33 HD12 LEU 5 2HD1 LEU 5 15.653 19.696 21.296
34 HD13 LEU 5 3HD1 LEU 5 17.344 20.240 21.241
35 HD21 LEU 5 3HD2 LEU 5 17.044 22.979 20.500
36 HD22 LEU 5 1HD2 LEU 5 18.083 21.915 19.555
37 HD23 LEU 5 2HD2 LEU 5 16.832 22.882 18.746
38 H ARG 6 H ARG 6 14.467 18.753 16.272
39 HA ARG 6 HA ARG 6 16.286 17.155 14.731
40 HB2 ARG 6 2HB ARG 6 13.344 17.831 14.366
41 HB3 ARG 6 3HB ARG 6 14.155 16.764 13.247
42 HG2 ARG 6 2HG ARG 6 14.101 16.136 16.223
43 HG3 ARG 6 3HG ARG 6 12.766 15.753 15.147
44 HD2 ARG 6 2HD ARG 6 13.965 13.765 15.205
45 HD3 ARG 6 3HD ARG 6 14.421 14.484 13.659
46 HE ARG 6 HE ARG 6 16.224 15.221 15.814
47 HH11 ARG 6 1HH1 ARG 6 15.605 12.249 13.939
48 HH12 ARG 6 2HH1 ARG 6 17.319 11.967 13.815
49 HH21 ARG 6 1HH2 ARG 6 18.213 14.432 16.007
50 HH22 ARG 6 2HH2 ARG 6 18.629 12.904 15.292
51 H ARG 7 H ARG 7 15.283 20.420 14.051
52 HA ARG 7 HA ARG 7 16.211 20.384 11.243
53 HB2 ARG 7 2HB ARG 7 15.430 22.591 13.190
54 HB3 ARG 7 3HB ARG 7 16.106 22.930 11.602
55 HG2 ARG 7 2HG ARG 7 14.287 22.021 10.434
56 HG3 ARG 7 3HG ARG 7 13.706 21.098 11.820
57 HD2 ARG 7 2HD ARG 7 12.254 23.014 11.265
58 HD3 ARG 7 3HD ARG 7 12.863 23.027 12.912
59 HE ARG 7 HE ARG 7 13.849 24.779 10.679
60 HH11 ARG 7 1HH1 ARG 7 13.237 24.398 14.101
61 HH12 ARG 7 2HH1 ARG 7 13.714 26.037 14.461
62 HH21 ARG 7 1HH2 ARG 7 14.555 26.814 11.255
63 HH22 ARG 7 2HH2 ARG 7 14.476 27.323 12.948
64 H CYS 8 H CYS 8 17.617 21.530 14.385
65 HA CYS 8 HA CYS 8 20.019 22.329 13.001
66 HB2 CYS 8 2HB CYS 8 20.530 23.375 15.028
67 HB3 CYS 8 3HB CYS 8 18.847 23.701 14.652
68 H GLU 9 H GLU 9 19.392 19.958 15.681
69 HA GLU 9 HA GLU 9 22.170 19.805 16.143
70 HB2 GLU 9 2HB GLU 9 21.853 18.185 17.753
71 HB3 GLU 9 3HB GLU 9 20.557 19.386 17.882
72 HG2 GLU 9 2HG GLU 9 18.963 17.795 16.943
73 HG3 GLU 9 3HG GLU 9 20.234 16.603 16.707
74 H LEU 10 H LEU 10 20.257 17.658 14.138
75 HA LEU 10 HA LEU 10 22.434 15.810 13.616
76 HB2 LEU 10 2HB LEU 10 20.977 14.956 11.792
77 HB3 LEU 10 3HB LEU 10 20.320 14.903 13.392
78 HG LEU 10 HG LEU 10 18.812 16.757 12.974
79 HD11 LEU 10 1HD1 LEU 10 18.527 17.621 10.629
80 HD12 LEU 10 2HD1 LEU 10 20.009 18.155 11.385
81 HD13 LEU 10 3HD1 LEU 10 20.061 16.844 10.173
82 HD21 LEU 10 3HD2 LEU 10 18.747 14.698 10.707
83 HD22 LEU 10 1HD2 LEU 10 18.184 14.422 12.367
84 HD23 LEU 10 2HD2 LEU 10 17.372 15.618 11.362
85 H SER 11 H SER 11 22.144 18.965 12.713
86 HA SER 11 HA SER 11 23.968 18.650 10.352
87 HB2 SER 11 2HB SER 11 21.969 20.782 11.119
88 HB3 SER 11 3HB SER 11 23.188 21.000 9.841
89 HG SER 11 HG SER 11 20.970 20.156 9.319
90 H CYS 12 H CYS 12 23.598 20.075 13.569
91 HA CYS 12 HA CYS 12 26.117 21.565 13.396
92 HB2 CYS 12 2HB CYS 12 24.116 21.047 15.628
93 HB3 CYS 12 3HB CYS 12 25.594 21.990 15.820
94 H ARG 13 H ARG 13 25.179 18.374 14.709
95 HA ARG 13 HA ARG 13 27.420 17.948 16.405
96 HB2 ARG 13 2HB ARG 13 25.605 16.104 14.834
97 HB3 ARG 13 3HB ARG 13 26.887 15.469 15.860
98 HG2 ARG 13 2HG ARG 13 25.939 16.427 17.848
99 HG3 ARG 13 3HG ARG 13 24.779 17.401 16.930
100 HD2 ARG 13 2HD ARG 13 23.729 15.334 16.069
101 HD3 ARG 13 3HD ARG 13 24.869 14.346 16.980
102 HE ARG 13 HE ARG 13 22.506 15.755 17.984
103 HH11 ARG 13 1HH1 ARG 13 25.504 14.170 19.000
104 HH12 ARG 13 2HH1 ARG 13 24.817 13.817 20.569
105 HH21 ARG 13 1HH2 ARG 13 21.875 15.492 20.030
106 HH22 ARG 13 2HH2 ARG 13 22.908 14.662 21.193
107 H SER 14 H SER 14 27.312 17.638 12.894
108 HA SER 14 HA SER 14 29.669 16.142 12.517
109 HB2 SER 14 2HB SER 14 28.504 18.338 10.762
110 HB3 SER 14 3HB SER 14 29.797 17.222 10.277
111 HG SER 14 HG SER 14 27.143 16.539 11.084
112 H LEU 15 H LEU 15 29.453 19.637 13.236
113 HA LEU 15 HA LEU 15 32.378 19.976 12.941
114 HB2 LEU 15 2HB LEU 15 30.123 21.825 13.743
115 HB3 LEU 15 3HB LEU 15 31.826 22.305 13.798
116 HG LEU 15 HG LEU 15 30.327 21.500 11.295
117 HD11 LEU 15 1HD1 LEU 15 30.430 23.894 10.748
118 HD12 LEU 15 2HD1 LEU 15 29.530 23.638 12.249
119 HD13 LEU 15 3HD1 LEU 15 31.207 24.239 12.309
120 HD21 LEU 15 3HD2 LEU 15 32.720 21.049 11.047
121 HD22 LEU 15 1HD2 LEU 15 32.297 22.512 10.152
122 HD23 LEU 15 2HD2 LEU 15 33.121 22.650 11.715
123 H GLY 16 H GLY 16 30.681 18.389 15.230
124 HA2 GLY 16 3HA GLY 16 31.233 17.757 17.375
125 HA3 GLY 16 3HA GLY 16 32.663 18.791 17.329
126 H LEU 17 H LEU 17 29.597 20.281 16.588
127 HA LEU 17 HA LEU 17 29.535 21.711 19.204
128 HB2 LEU 17 2HB LEU 17 27.398 22.288 17.268
129 HB3 LEU 17 3HB LEU 17 28.378 23.367 18.198
130 HG LEU 17 HG LEU 17 29.090 22.089 15.555
131 HD11 LEU 17 1HD1 LEU 17 28.792 24.372 14.645
132 HD12 LEU 17 2HD1 LEU 17 27.313 23.745 15.356
133 HD13 LEU 17 3HD1 LEU 17 28.282 24.946 16.245
134 HD21 LEU 17 3HD2 LEU 17 31.181 22.613 16.766
135 HD22 LEU 17 1HD2 LEU 17 30.944 23.640 15.363
136 HD23 LEU 17 2HD2 LEU 17 30.629 24.291 17.003
137 H LEU 18 H LEU 18 27.191 22.018 20.050
138 HA LEU 18 HA LEU 18 25.367 19.745 19.433
139 HB2 LEU 18 2HB LEU 18 25.708 21.244 22.059
140 HB3 LEU 18 3HB LEU 18 24.386 20.129 21.712
141 HG LEU 18 HG LEU 18 27.337 19.384 21.757
142 HD11 LEU 18 1HD1 LEU 18 25.095 18.835 23.743
143 HD12 LEU 18 2HD1 LEU 18 26.757 18.220 23.846
144 HD13 LEU 18 3HD1 LEU 18 26.465 19.955 23.971
145 HD21 LEU 18 3HD2 LEU 18 26.104 17.855 20.265
146 HD22 LEU 18 1HD2 LEU 18 26.489 17.035 21.774
147 HD23 LEU 18 2HD2 LEU 18 24.846 17.634 21.501
148 H GLY 19 H GLY 19 23.141 20.321 19.544
149 HA2 GLY 19 3HA GLY 19 22.560 23.104 18.595
150 HA3 GLY 19 3HA GLY 19 21.471 21.720 18.510
151 H LYS 20 H LYS 20 22.089 24.568 20.144
152 HA LYS 20 HA LYS 20 21.016 23.646 22.786
153 HB2 LYS 20 2HB LYS 20 22.475 26.211 22.077
154 HB3 LYS 20 3HB LYS 20 21.857 25.793 23.670
155 HG2 LYS 20 2HG LYS 20 24.082 24.311 22.193
156 HG3 LYS 20 3HG LYS 20 24.278 25.525 23.453
157 HD2 LYS 20 2HD LYS 20 23.124 24.066 25.093
158 HD3 LYS 20 3HD LYS 20 23.048 22.788 23.852
159 HE2 LYS 20 2HE LYS 20 25.497 22.775 23.656
160 HE3 LYS 20 3HE LYS 20 25.630 24.142 24.760
161 HZ1 LYS 20 3HZ LYS 20 24.942 22.764 26.577
162 HZ2 LYS 20 1HZ LYS 20 24.479 21.537 25.594
163 HZ3 LYS 20 2HZ LYS 20 26.074 21.927 25.764
164 H CYS 21 H CYS 21 19.037 24.209 23.368
165 HA CYS 21 HA CYS 21 17.352 25.772 21.556
166 HB2 CYS 21 2HB CYS 21 16.601 23.709 22.735
167 HB3 CYS 21 3HB CYS 21 16.759 24.540 24.272
168 H ILE 22 H ILE 22 17.272 27.939 21.584
169 HA ILE 22 HA ILE 22 18.024 29.455 24.020
170 HB ILE 22 HB ILE 22 17.779 30.529 21.202
171 HG12 ILE 22 2HG1 ILE 22 19.450 28.809 21.005
172 HG13 ILE 22 3HG1 ILE 22 20.222 30.379 21.006
173 HG21 ILE 22 1HG2 ILE 22 17.789 32.241 22.952
174 HG22 ILE 22 2HG2 ILE 22 19.230 31.540 23.697
175 HG23 ILE 22 3HG2 ILE 22 19.317 32.281 22.083
176 HD11 ILE 22 3HD1 ILE 22 20.988 30.059 23.331
177 HD12 ILE 22 1HD1 ILE 22 20.170 28.480 23.392
178 HD13 ILE 22 2HD1 ILE 22 21.522 28.739 22.281
179 H GLY 23 H GLY 23 15.840 28.470 24.612
180 HA2 GLY 23 3HA GLY 23 13.878 29.280 25.677
181 HA3 GLY 23 3HA GLY 23 13.793 30.623 24.533
182 H GLU 24 H GLU 24 13.451 29.940 22.202
183 HA GLU 24 HA GLU 24 11.958 27.405 21.868
184 HB2 GLU 24 2HB GLU 24 10.019 28.376 20.888
185 HB3 GLU 24 3HB GLU 24 10.247 29.031 22.501
186 HG2 GLU 24 2HG GLU 24 11.113 31.136 21.541
187 HG3 GLU 24 3HG GLU 24 10.950 30.474 19.910
188 H GLU 25 H GLU 25 14.520 28.958 20.716
189 HA GLU 25 HA GLU 25 14.233 27.468 18.229
190 HB2 GLU 25 2HB GLU 25 14.168 30.383 18.144
191 HB3 GLU 25 3HB GLU 25 15.566 29.783 17.293
192 HG2 GLU 25 2HG GLU 25 12.714 28.820 16.790
193 HG3 GLU 25 3HG GLU 25 13.545 30.083 15.861
194 H CYS 26 H CYS 26 16.150 26.878 17.153
195 HA CYS 26 HA CYS 26 18.257 26.401 19.137
196 HB2 CYS 26 2HB CYS 26 17.166 24.676 17.614
197 HB3 CYS 26 3HB CYS 26 18.096 25.397 16.301
198 H LYS 27 H LYS 27 20.206 27.198 19.184
199 HA LYS 27 HA LYS 27 21.622 28.146 16.737
200 HB2 LYS 27 2HB LYS 27 21.750 29.357 19.526
201 HB3 LYS 27 3HB LYS 27 23.130 29.408 18.456
202 HG2 LYS 27 2HG LYS 27 21.999 31.493 18.374
203 HG3 LYS 27 3HG LYS 27 21.943 30.720 16.799
204 HD2 LYS 27 2HD LYS 27 19.608 30.289 16.975
205 HD3 LYS 27 3HD LYS 27 19.599 30.554 18.719
206 HE2 LYS 27 2HE LYS 27 18.532 32.411 17.586
207 HE3 LYS 27 3HE LYS 27 20.001 32.953 18.400
208 HZ1 LYS 27 3HZ LYS 27 21.118 33.035 16.295
209 HZ2 LYS 27 1HZ LYS 27 19.852 32.328 15.499
210 HZ3 LYS 27 2HZ LYS 27 19.704 33.848 16.123
211 H CYS 28 H CYS 28 24.173 27.683 17.222
212 HA CYS 28 HA CYS 28 24.355 25.169 18.810
213 HB2 CYS 28 2HB CYS 28 25.407 25.398 16.003
214 HB3 CYS 28 3HB CYS 28 25.575 24.052 17.110
215 H VAL 29 H VAL 29 26.157 24.686 19.739
216 HA VAL 29 HA VAL 29 28.634 26.238 19.367
217 HB VAL 29 HB VAL 29 28.615 27.000 21.707
218 HG11 VAL 29 1HG1 VAL 29 27.284 28.955 21.486
219 HG12 VAL 29 2HG1 VAL 29 27.910 28.572 19.883
220 HG13 VAL 29 3HG1 VAL 29 26.216 28.213 20.284
221 HG21 VAL 29 3HG2 VAL 29 25.652 26.296 21.734
222 HG22 VAL 29 1HG2 VAL 29 26.921 25.485 22.686
223 HG23 VAL 29 2HG2 VAL 29 26.538 27.178 22.990
224 HA PRO 30 HA PRO 30 29.943 22.488 21.590
225 HB2 PRO 30 2HB PRO 30 32.640 22.772 21.515
226 HB3 PRO 30 3HB PRO 30 31.648 22.414 20.067
227 HG2 PRO 30 2HG PRO 30 32.931 25.002 20.855
228 HG3 PRO 30 3HG PRO 30 32.589 24.350 19.230
229 HD2 PRO 30 2HD PRO 30 31.022 26.233 20.743
230 HD3 PRO 30 3HD PRO 30 30.603 25.469 19.186
231 H TYR 31 H TYR 31 30.898 23.159 25.016
232 HA TYR 31 HA TYR 31 29.059 21.644 23.328
233 HB2 TYR 31 2HB TYR 31 31.343 20.797 22.716
234 HB3 TYR 31 3HB TYR 31 31.658 20.447 24.400
235 HD1 TYR 31 HD2 TYR 31 30.303 18.717 25.568
236 HD2 TYR 31 HD1 TYR 31 30.110 19.291 21.331
237 HE1 TYR 31 HE2 TYR 31 29.240 16.453 25.328
238 HE2 TYR 31 HE1 TYR 31 29.097 17.016 21.065
239 HH TYR 31 HH TYR 31 28.246 14.985 23.857
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 8.702 27.984 21.377
2 H2 ALA 1 H2 ALA 1 9.317 28.895 22.604
3 H3 ALA 1 H3 ALA 1 7.689 28.847 22.340
4 HA ALA 1 HA ALA 1 8.372 27.567 24.256
5 HB1 ALA 1 3HB ALA 1 7.063 25.560 23.739
6 HB2 ALA 1 1HB ALA 1 6.275 27.002 23.087
7 HB3 ALA 1 2HB ALA 1 7.151 25.914 22.002
8 H PHE 2 H PHE 2 9.283 25.724 21.297
9 HA PHE 2 HA PHE 2 11.943 25.125 22.250
10 HB2 PHE 2 2HB PHE 2 11.587 22.620 22.151
11 HB3 PHE 2 3HB PHE 2 10.962 23.436 23.566
12 HD1 PHE 2 HD2 PHE 2 9.926 21.954 20.271
13 HD2 PHE 2 HD1 PHE 2 8.666 23.328 24.167
14 HE1 PHE 2 HE2 PHE 2 7.642 21.065 19.857
15 HE2 PHE 2 HE1 PHE 2 6.399 22.414 23.753
16 HZ PHE 2 HZ PHE 2 5.884 21.289 21.588
17 H CYS 3 H CYS 3 13.116 23.754 20.626
18 HA CYS 3 HA CYS 3 12.429 25.002 18.069
19 HB2 CYS 3 2HB CYS 3 15.053 24.147 19.223
20 HB3 CYS 3 3HB CYS 3 14.833 24.810 17.609
21 H ASN 4 H ASN 4 13.300 24.187 16.051
22 HA ASN 4 HA ASN 4 12.422 21.546 15.315
23 HB2 ASN 4 2HB ASN 4 14.064 23.679 13.879
24 HB3 ASN 4 3HB ASN 4 13.491 22.195 13.133
25 HD21 ASN 4 2HD2 ASN 4 12.699 24.512 11.918
26 HD22 ASN 4 1HD2 ASN 4 11.007 24.804 12.299
27 H LEU 5 H LEU 5 13.861 20.831 17.295
28 HA LEU 5 HA LEU 5 16.654 21.047 17.142
29 HB2 LEU 5 2HB LEU 5 14.739 19.487 18.904
30 HB3 LEU 5 3HB LEU 5 16.478 19.474 19.203
31 HG LEU 5 HG LEU 5 15.022 22.111 18.864
32 HD11 LEU 5 1HD1 LEU 5 14.807 22.220 21.344
33 HD12 LEU 5 2HD1 LEU 5 13.791 20.951 20.632
34 HD13 LEU 5 3HD1 LEU 5 15.312 20.522 21.437
35 HD21 LEU 5 3HD2 LEU 5 17.503 21.284 20.431
36 HD22 LEU 5 1HD2 LEU 5 17.523 22.086 18.855
37 HD23 LEU 5 2HD2 LEU 5 16.888 22.933 20.268
38 H ARG 6 H ARG 6 14.643 18.313 16.297
39 HA ARG 6 HA ARG 6 16.596 16.321 15.952
40 HB2 ARG 6 2HB ARG 6 14.079 16.074 15.680
41 HB3 ARG 6 3HB ARG 6 14.222 16.852 14.111
42 HG2 ARG 6 2HG ARG 6 14.087 14.605 13.602
43 HG3 ARG 6 3HG ARG 6 15.812 14.900 13.460
44 HD2 ARG 6 2HD ARG 6 14.383 13.679 15.867
45 HD3 ARG 6 3HD ARG 6 15.182 12.746 14.618
46 HE ARG 6 HE ARG 6 16.460 14.217 16.822
47 HH11 ARG 6 1HH1 ARG 6 17.196 12.725 13.676
48 HH12 ARG 6 2HH1 ARG 6 18.900 12.638 14.152
49 HH21 ARG 6 1HH2 ARG 6 18.534 13.949 17.227
50 HH22 ARG 6 2HH2 ARG 6 19.596 13.234 16.011
51 H ARG 7 H ARG 7 15.836 18.945 13.664
52 HA ARG 7 HA ARG 7 18.007 18.082 11.829
53 HB2 ARG 7 2HB ARG 7 16.023 20.374 11.730
54 HB3 ARG 7 3HB ARG 7 17.395 20.221 10.624
55 HG2 ARG 7 2HG ARG 7 16.528 17.826 10.120
56 HG3 ARG 7 3HG ARG 7 15.046 18.318 10.950
57 HD2 ARG 7 2HD ARG 7 14.733 18.630 8.610
58 HD3 ARG 7 3HD ARG 7 14.861 20.250 9.327
59 HE ARG 7 HE ARG 7 17.429 19.825 8.578
60 HH11 ARG 7 1HH1 ARG 7 14.491 19.462 6.682
61 HH12 ARG 7 2HH1 ARG 7 15.380 19.506 5.172
62 HH21 ARG 7 1HH2 ARG 7 18.439 20.008 6.706
63 HH22 ARG 7 2HH2 ARG 7 17.590 19.753 5.188
64 H CYS 8 H CYS 8 17.456 20.725 14.183
65 HA CYS 8 HA CYS 8 19.859 22.099 13.687
66 HB2 CYS 8 2HB CYS 8 18.027 22.846 15.190
67 HB3 CYS 8 3HB CYS 8 18.552 21.646 16.384
68 H GLU 9 H GLU 9 19.425 19.357 16.061
69 HA GLU 9 HA GLU 9 22.248 19.143 16.612
70 HB2 GLU 9 2HB GLU 9 19.906 17.260 16.976
71 HB3 GLU 9 3HB GLU 9 21.544 16.830 17.446
72 HG2 GLU 9 2HG GLU 9 20.711 19.494 18.484
73 HG3 GLU 9 3HG GLU 9 19.701 18.164 19.042
74 H LEU 10 H LEU 10 20.348 17.748 13.929
75 HA LEU 10 HA LEU 10 22.549 16.069 12.987
76 HB2 LEU 10 2HB LEU 10 19.897 17.003 11.875
77 HB3 LEU 10 3HB LEU 10 21.080 16.326 10.779
78 HG LEU 10 HG LEU 10 20.055 14.829 13.215
79 HD11 LEU 10 1HD1 LEU 10 18.228 15.248 11.603
80 HD12 LEU 10 2HD1 LEU 10 19.238 14.631 10.279
81 HD13 LEU 10 3HD1 LEU 10 18.704 13.544 11.578
82 HD21 LEU 10 3HD2 LEU 10 21.624 13.955 10.735
83 HD22 LEU 10 1HD2 LEU 10 22.242 13.997 12.399
84 HD23 LEU 10 2HD2 LEU 10 20.968 12.858 11.964
85 H SER 11 H SER 11 21.932 19.463 12.823
86 HA SER 11 HA SER 11 23.917 19.860 10.651
87 HB2 SER 11 2HB SER 11 21.702 21.180 10.949
88 HB3 SER 11 3HB SER 11 22.556 22.048 12.237
89 HG SER 11 HG SER 11 22.986 21.939 9.476
90 H CYS 12 H CYS 12 23.528 20.696 14.142
91 HA CYS 12 HA CYS 12 26.064 21.894 14.477
92 HB2 CYS 12 2HB CYS 12 24.420 20.345 16.514
93 HB3 CYS 12 3HB CYS 12 25.713 21.465 16.874
94 H ARG 13 H ARG 13 25.173 18.382 14.816
95 HA ARG 13 HA ARG 13 27.730 17.700 15.913
96 HB2 ARG 13 2HB ARG 13 25.420 16.375 15.869
97 HB3 ARG 13 3HB ARG 13 26.103 15.660 14.411
98 HG2 ARG 13 2HG ARG 13 26.722 14.187 16.167
99 HG3 ARG 13 3HG ARG 13 28.183 15.120 15.870
100 HD2 ARG 13 2HD ARG 13 27.985 15.044 18.214
101 HD3 ARG 13 3HD ARG 13 27.426 16.667 17.808
102 HE ARG 13 HE ARG 13 25.708 14.306 18.521
103 HH11 ARG 13 1HH2 ARG 13 25.870 17.864 18.453
104 HH12 ARG 13 2HH2 ARG 13 24.271 17.920 19.203
105 HH21 ARG 13 1HH1 ARG 13 23.828 14.551 19.348
106 HH22 ARG 13 2HH1 ARG 13 23.160 16.128 19.751
107 H SER 14 H SER 14 26.939 18.409 12.630
108 HA SER 14 HA SER 14 28.860 16.930 11.205
109 HB2 SER 14 2HB SER 14 28.074 19.826 10.715
110 HB3 SER 14 3HB SER 14 28.721 18.682 9.534
111 HG SER 14 HG SER 14 26.412 18.999 9.521
112 H LEU 15 H LEU 15 29.390 19.773 13.284
113 HA LEU 15 HA LEU 15 32.308 19.738 12.620
114 HB2 LEU 15 2HB LEU 15 30.613 21.940 13.794
115 HB3 LEU 15 3HB LEU 15 32.353 22.050 13.482
116 HG LEU 15 HG LEU 15 30.148 21.819 11.411
117 HD11 LEU 15 1HD1 LEU 15 31.952 24.141 12.197
118 HD12 LEU 15 2HD1 LEU 15 30.785 24.131 10.854
119 HD13 LEU 15 3HD1 LEU 15 30.204 24.006 12.521
120 HD21 LEU 15 3HD2 LEU 15 33.140 22.216 11.057
121 HD22 LEU 15 1HD2 LEU 15 32.220 20.766 10.591
122 HD23 LEU 15 2HD2 LEU 15 31.913 22.300 9.766
123 H GLY 16 H GLY 16 30.496 18.240 14.793
124 HA2 GLY 16 3HA GLY 16 30.933 17.396 16.903
125 HA3 GLY 16 3HA GLY 16 32.418 18.350 16.981
126 H LEU 17 H LEU 17 29.309 19.941 16.365
127 HA LEU 17 HA LEU 17 29.505 21.259 19.014
128 HB2 LEU 17 2HB LEU 17 27.594 22.322 17.062
129 HB3 LEU 17 3HB LEU 17 28.673 23.168 18.153
130 HG LEU 17 HG LEU 17 29.323 22.005 15.442
131 HD11 LEU 17 1HD1 LEU 17 28.937 24.868 16.366
132 HD12 LEU 17 2HD1 LEU 17 29.529 24.395 14.768
133 HD13 LEU 17 3HD1 LEU 17 27.900 23.931 15.249
134 HD21 LEU 17 3HD2 LEU 17 31.402 22.062 16.832
135 HD22 LEU 17 1HD2 LEU 17 31.437 23.197 15.471
136 HD23 LEU 17 2HD2 LEU 17 31.122 23.793 17.118
137 H LEU 18 H LEU 18 27.552 21.748 20.152
138 HA LEU 18 HA LEU 18 25.360 19.744 19.974
139 HB2 LEU 18 2HB LEU 18 26.659 21.293 22.244
140 HB3 LEU 18 3HB LEU 18 25.025 20.674 22.378
141 HG LEU 18 HG LEU 18 25.864 18.362 21.840
142 HD11 LEU 18 1HD1 LEU 18 28.313 17.945 22.316
143 HD12 LEU 18 2HD1 LEU 18 28.009 18.726 20.776
144 HD13 LEU 18 3HD1 LEU 18 28.588 19.696 22.155
145 HD21 LEU 18 3HD2 LEU 18 27.050 19.787 24.256
146 HD22 LEU 18 1HD2 LEU 18 25.424 19.073 24.127
147 HD23 LEU 18 2HD2 LEU 18 26.842 18.027 24.096
148 H GLY 19 H GLY 19 23.305 20.393 19.923
149 HA2 GLY 19 3HA GLY 19 22.796 23.176 18.989
150 HA3 GLY 19 3HA GLY 19 21.803 21.765 18.651
151 H LYS 20 H LYS 20 21.688 24.598 20.192
152 HA LYS 20 HA LYS 20 19.890 23.639 22.392
153 HB2 LYS 20 2HB LYS 20 21.941 25.880 22.487
154 HB3 LYS 20 3HB LYS 20 20.810 25.465 23.785
155 HG2 LYS 20 2HG LYS 20 21.846 23.251 24.049
156 HG3 LYS 20 3HG LYS 20 22.941 23.562 22.684
157 HD2 LYS 20 2HD LYS 20 23.863 25.514 23.881
158 HD3 LYS 20 3HD LYS 20 22.884 25.088 25.299
159 HE2 LYS 20 2HE LYS 20 23.990 22.792 25.262
160 HE3 LYS 20 3HE LYS 20 25.034 23.383 23.956
161 HZ1 LYS 20 3HZ LYS 20 25.632 25.220 25.623
162 HZ2 LYS 20 1HZ LYS 20 24.972 24.280 26.765
163 HZ3 LYS 20 2HZ LYS 20 26.268 23.714 25.901
164 H CYS 21 H CYS 21 18.025 24.652 22.695
165 HA CYS 21 HA CYS 21 17.143 26.609 20.688
166 HB2 CYS 21 2HB CYS 21 15.871 24.542 21.347
167 HB3 CYS 21 3HB CYS 21 15.622 25.250 22.938
168 H ILE 22 H ILE 22 16.891 28.751 20.993
169 HA ILE 22 HA ILE 22 17.000 29.891 23.743
170 HB ILE 22 HB ILE 22 17.400 31.986 22.828
171 HG12 ILE 22 2HG1 ILE 22 17.694 30.932 20.006
172 HG13 ILE 22 3HG1 ILE 22 16.096 31.428 20.574
173 HG21 ILE 22 1HG2 ILE 22 19.279 30.437 23.273
174 HG22 ILE 22 2HG2 ILE 22 19.261 29.905 21.580
175 HG23 ILE 22 3HG2 ILE 22 19.661 31.584 21.992
176 HD11 ILE 22 3HD1 ILE 22 16.977 33.613 21.250
177 HD12 ILE 22 1HD1 ILE 22 18.584 33.154 20.645
178 HD13 ILE 22 2HD1 ILE 22 17.221 33.309 19.509
179 H GLY 23 H GLY 23 14.572 28.827 21.813
180 HA2 GLY 23 3HA GLY 23 12.442 29.186 23.280
181 HA3 GLY 23 3HA GLY 23 12.536 30.835 22.656
182 H GLU 24 H GLU 24 12.891 30.864 20.172
183 HA GLU 24 HA GLU 24 11.295 28.750 18.732
184 HB2 GLU 24 2HB GLU 24 11.712 31.711 18.172
185 HB3 GLU 24 3HB GLU 24 10.922 30.613 17.052
186 HG2 GLU 24 2HG GLU 24 9.916 31.129 19.884
187 HG3 GLU 24 3HG GLU 24 9.402 32.029 18.467
188 H GLU 25 H GLU 25 14.410 30.235 18.939
189 HA GLU 25 HA GLU 25 15.273 29.190 16.275
190 HB2 GLU 25 2HB GLU 25 16.207 31.549 17.947
191 HB3 GLU 25 3HB GLU 25 17.137 30.918 16.604
192 HG2 GLU 25 2HG GLU 25 14.300 32.014 16.423
193 HG3 GLU 25 3HG GLU 25 15.767 32.894 16.009
194 H CYS 26 H CYS 26 17.167 28.040 16.080
195 HA CYS 26 HA CYS 26 18.301 26.983 18.629
196 HB2 CYS 26 2HB CYS 26 17.028 25.443 17.102
197 HB3 CYS 26 3HB CYS 26 18.308 25.671 15.908
198 H LYS 27 H LYS 27 20.411 26.983 19.015
199 HA LYS 27 HA LYS 27 22.350 28.209 17.071
200 HB2 LYS 27 2HB LYS 27 22.366 28.437 20.108
201 HB3 LYS 27 3HB LYS 27 23.436 29.267 18.986
202 HG2 LYS 27 2HG LYS 27 20.424 29.758 19.235
203 HG3 LYS 27 3HG LYS 27 21.681 30.708 20.005
204 HD2 LYS 27 2HD LYS 27 22.561 31.439 17.862
205 HD3 LYS 27 3HD LYS 27 21.396 30.431 16.979
206 HE2 LYS 27 2HE LYS 27 19.578 31.765 17.509
207 HE3 LYS 27 3HE LYS 27 20.286 32.330 19.027
208 HZ1 LYS 27 3HZ LYS 27 21.273 33.214 16.381
209 HZ2 LYS 27 1HZ LYS 27 20.166 34.031 17.268
210 HZ3 LYS 27 2HZ LYS 27 21.681 33.812 17.872
211 H CYS 28 H CYS 28 24.682 27.505 17.581
212 HA CYS 28 HA CYS 28 24.753 24.746 18.686
213 HB2 CYS 28 2HB CYS 28 26.383 25.606 16.321
214 HB3 CYS 28 3HB CYS 28 26.346 24.052 17.104
215 H VAL 29 H VAL 29 26.520 24.268 19.907
216 HA VAL 29 HA VAL 29 28.790 26.186 20.106
217 HB VAL 29 HB VAL 29 28.475 26.218 22.571
218 HG11 VAL 29 1HG1 VAL 29 26.831 27.935 22.697
219 HG12 VAL 29 2HG1 VAL 29 27.744 28.129 21.196
220 HG13 VAL 29 3HG1 VAL 29 26.093 27.450 21.164
221 HG21 VAL 29 3HG2 VAL 29 26.360 25.702 23.588
222 HG22 VAL 29 1HG2 VAL 29 25.691 25.111 22.054
223 HG23 VAL 29 2HG2 VAL 29 27.024 24.240 22.850
224 HA PRO 30 HA PRO 30 31.272 22.650 20.716
225 HB2 PRO 30 2HB PRO 30 32.569 23.943 23.122
226 HB3 PRO 30 3HB PRO 30 33.339 23.191 21.690
227 HG2 PRO 30 2HG PRO 30 33.167 25.877 21.853
228 HG3 PRO 30 3HG PRO 30 32.758 25.063 20.305
229 HD2 PRO 30 2HD PRO 30 30.866 26.050 22.466
230 HD3 PRO 30 3HD PRO 30 30.788 26.291 20.698
231 H TYR 31 H TYR 31 29.798 23.685 23.763
232 HA TYR 31 HA TYR 31 29.011 21.002 24.568
233 HB2 TYR 31 2HB TYR 31 31.309 22.498 25.778
234 HB3 TYR 31 3HB TYR 31 30.106 22.027 26.939
235 HD1 TYR 31 HD2 TYR 31 30.143 19.356 24.542
236 HD2 TYR 31 HD1 TYR 31 32.413 21.140 27.749
237 HE1 TYR 31 HE2 TYR 31 31.185 17.167 25.035
238 HE2 TYR 31 HE1 TYR 31 33.495 18.951 28.196
239 HH TYR 31 HH TYR 31 33.802 16.766 27.398
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 7.103 28.499 22.154
2 H2 ALA 1 H2 ALA 1 7.665 27.787 20.804
3 H3 ALA 1 H3 ALA 1 8.700 28.095 22.062
4 HA ALA 1 HA ALA 1 7.530 26.581 23.467
5 HB1 ALA 1 3HB ALA 1 5.890 25.893 20.995
6 HB2 ALA 1 1HB ALA 1 5.826 25.086 22.569
7 HB3 ALA 1 2HB ALA 1 5.301 26.771 22.416
8 H PHE 2 H PHE 2 8.095 25.756 19.976
9 HA PHE 2 HA PHE 2 9.980 23.645 20.932
10 HB2 PHE 2 2HB PHE 2 8.289 23.439 18.453
11 HB3 PHE 2 3HB PHE 2 9.128 22.159 19.316
12 HD1 PHE 2 HD1 PHE 2 8.289 22.161 22.028
13 HD2 PHE 2 HD2 PHE 2 5.975 23.300 18.566
14 HE1 PHE 2 HE1 PHE 2 6.190 21.714 23.273
15 HE2 PHE 2 HE2 PHE 2 3.884 22.836 19.814
16 HZ PHE 2 HZ PHE 2 3.987 22.039 22.163
17 H CYS 3 H CYS 3 11.940 23.401 19.901
18 HA CYS 3 HA CYS 3 12.685 25.530 17.970
19 HB2 CYS 3 2HB CYS 3 14.211 23.774 19.820
20 HB3 CYS 3 3HB CYS 3 14.992 24.709 18.535
21 H ASN 4 H ASN 4 14.077 25.044 16.139
22 HA ASN 4 HA ASN 4 13.123 22.846 14.490
23 HB2 ASN 4 2HB ASN 4 15.383 24.832 14.004
24 HB3 ASN 4 3HB ASN 4 14.637 23.791 12.805
25 HD21 ASN 4 2HD2 ASN 4 14.600 26.939 13.976
26 HD22 ASN 4 1HD2 ASN 4 13.028 27.357 13.341
27 H LEU 5 H LEU 5 13.980 21.455 16.512
28 HA LEU 5 HA LEU 5 16.870 21.177 16.768
29 HB2 LEU 5 2HB LEU 5 14.547 19.695 18.059
30 HB3 LEU 5 3HB LEU 5 16.237 19.604 18.577
31 HG LEU 5 HG LEU 5 14.429 22.048 18.663
32 HD11 LEU 5 1HD1 LEU 5 13.978 20.330 20.379
33 HD12 LEU 5 2HD1 LEU 5 15.684 20.365 20.871
34 HD13 LEU 5 3HD1 LEU 5 14.650 21.790 21.107
35 HD21 LEU 5 3HD2 LEU 5 16.731 22.813 18.229
36 HD22 LEU 5 1HD2 LEU 5 16.398 23.074 19.940
37 HD23 LEU 5 2HD2 LEU 5 17.363 21.683 19.448
38 H ARG 6 H ARG 6 14.297 19.165 15.378
39 HA ARG 6 HA ARG 6 15.849 16.774 14.937
40 HB2 ARG 6 2HB ARG 6 13.598 17.865 13.196
41 HB3 ARG 6 3HB ARG 6 14.149 16.205 13.278
42 HG2 ARG 6 2HG ARG 6 12.601 17.707 15.429
43 HG3 ARG 6 3HG ARG 6 12.042 16.415 14.394
44 HD2 ARG 6 2HD ARG 6 12.354 15.389 16.443
45 HD3 ARG 6 3HD ARG 6 13.794 14.933 15.534
46 HE ARG 6 HE ARG 6 15.132 16.241 16.961
47 HH11 ARG 6 1HH1 ARG 6 11.753 16.672 18.080
48 HH12 ARG 6 2HH1 ARG 6 12.397 17.313 19.581
49 HH21 ARG 6 1HH2 ARG 6 15.636 17.038 18.839
50 HH22 ARG 6 2HH2 ARG 6 14.402 17.476 20.020
51 H ARG 7 H ARG 7 15.732 19.788 13.163
52 HA ARG 7 HA ARG 7 17.621 18.834 11.094
53 HB2 ARG 7 2HB ARG 7 15.719 20.300 10.601
54 HB3 ARG 7 3HB ARG 7 16.366 21.552 11.655
55 HG2 ARG 7 2HG ARG 7 18.248 21.885 10.141
56 HG3 ARG 7 3HG ARG 7 17.749 20.488 9.147
57 HD2 ARG 7 2HD ARG 7 15.614 21.577 8.627
58 HD3 ARG 7 3HD ARG 7 16.011 22.940 9.685
59 HE ARG 7 HE ARG 7 18.084 22.663 7.750
60 HH11 ARG 7 1HH1 ARG 7 14.705 23.796 7.834
61 HH12 ARG 7 2HH1 ARG 7 15.073 25.011 6.632
62 HH21 ARG 7 1HH2 ARG 7 18.240 24.072 5.994
63 HH22 ARG 7 2HH2 ARG 7 16.872 25.095 5.620
64 H CYS 8 H CYS 8 17.623 21.359 13.616
65 HA CYS 8 HA CYS 8 20.247 22.200 13.075
66 HB2 CYS 8 2HB CYS 8 18.393 23.530 13.955
67 HB3 CYS 8 3HB CYS 8 18.494 22.689 15.500
68 H GLU 9 H GLU 9 19.199 19.935 15.725
69 HA GLU 9 HA GLU 9 21.807 19.943 17.038
70 HB2 GLU 9 2HB GLU 9 19.602 17.833 16.955
71 HB3 GLU 9 3HB GLU 9 21.098 17.698 17.870
72 HG2 GLU 9 2HG GLU 9 20.457 19.938 18.980
73 HG3 GLU 9 3HG GLU 9 18.842 19.682 18.304
74 H LEU 10 H LEU 10 20.413 18.044 14.351
75 HA LEU 10 HA LEU 10 22.667 16.218 14.243
76 HB2 LEU 10 2HB LEU 10 20.526 16.694 12.155
77 HB3 LEU 10 3HB LEU 10 21.584 15.291 12.304
78 HG LEU 10 HG LEU 10 19.295 16.113 14.137
79 HD11 LEU 10 1HD1 LEU 10 18.745 14.902 12.036
80 HD12 LEU 10 2HD1 LEU 10 19.794 13.563 12.555
81 HD13 LEU 10 3HD1 LEU 10 18.341 13.978 13.490
82 HD21 LEU 10 3HD2 LEU 10 19.788 14.017 15.417
83 HD22 LEU 10 1HD2 LEU 10 21.343 13.905 14.560
84 HD23 LEU 10 2HD2 LEU 10 20.995 15.281 15.643
85 H SER 11 H SER 11 21.795 19.208 12.558
86 HA SER 11 HA SER 11 23.973 19.358 10.706
87 HB2 SER 11 2HB SER 11 22.563 21.566 12.260
88 HB3 SER 11 3HB SER 11 23.647 21.822 10.880
89 HG SER 11 HG SER 11 22.152 21.154 9.544
90 H CYS 12 H CYS 12 23.727 20.682 14.079
91 HA CYS 12 HA CYS 12 26.466 21.506 14.111
92 HB2 CYS 12 2HB CYS 12 24.430 21.126 16.327
93 HB3 CYS 12 3HB CYS 12 26.012 21.891 16.537
94 H ARG 13 H ARG 13 24.962 18.449 15.275
95 HA ARG 13 HA ARG 13 27.283 17.153 16.273
96 HB2 ARG 13 2HB ARG 13 24.813 16.187 14.800
97 HB3 ARG 13 3HB ARG 13 26.116 15.069 15.184
98 HG2 ARG 13 2HG ARG 13 25.938 15.523 17.540
99 HG3 ARG 13 3HG ARG 13 24.711 16.773 17.282
100 HD2 ARG 13 2HD ARG 13 23.150 15.084 16.428
101 HD3 ARG 13 3HD ARG 13 24.400 13.828 16.565
102 HE ARG 13 HE ARG 13 24.274 14.848 19.114
103 HH11 ARG 13 1HH2 ARG 13 21.870 13.179 17.132
104 HH12 ARG 13 2HH2 ARG 13 20.846 12.949 18.538
105 HH21 ARG 13 1HH1 ARG 13 23.063 14.008 20.798
106 HH22 ARG 13 2HH1 ARG 13 21.495 13.321 20.420
107 H SER 14 H SER 14 26.328 17.579 12.832
108 HA SER 14 HA SER 14 28.479 15.978 11.827
109 HB2 SER 14 2HB SER 14 27.895 16.649 9.696
110 HB3 SER 14 3HB SER 14 26.367 16.715 10.582
111 HG SER 14 HG SER 14 26.739 19.020 10.796
112 H LEU 15 H LEU 15 28.556 19.249 13.045
113 HA LEU 15 HA LEU 15 31.261 19.739 11.891
114 HB2 LEU 15 2HB LEU 15 29.443 21.503 13.551
115 HB3 LEU 15 3HB LEU 15 30.973 21.989 12.806
116 HG LEU 15 HG LEU 15 28.441 21.204 11.317
117 HD11 LEU 15 1HD1 LEU 15 29.773 23.906 11.749
118 HD12 LEU 15 2HD1 LEU 15 28.365 23.587 10.711
119 HD13 LEU 15 3HD1 LEU 15 28.235 23.359 12.460
120 HD21 LEU 15 3HD2 LEU 15 31.103 22.272 10.285
121 HD22 LEU 15 1HD2 LEU 15 30.428 20.651 9.979
122 HD23 LEU 15 2HD2 LEU 15 29.623 22.076 9.321
123 H GLY 16 H GLY 16 29.837 18.597 14.825
124 HA2 GLY 16 3HA GLY 16 30.976 17.792 16.727
125 HA3 GLY 16 3HA GLY 16 32.428 18.688 16.278
126 H LEU 17 H LEU 17 29.110 20.008 16.516
127 HA LEU 17 HA LEU 17 29.831 21.466 18.997
128 HB2 LEU 17 2HB LEU 17 27.838 23.000 17.807
129 HB3 LEU 17 3HB LEU 17 29.488 23.444 18.133
130 HG LEU 17 HG LEU 17 28.651 22.175 15.510
131 HD11 LEU 17 1HD1 LEU 17 28.665 24.506 14.615
132 HD12 LEU 17 2HD1 LEU 17 27.358 24.206 15.755
133 HD13 LEU 17 3HD1 LEU 17 28.795 25.122 16.274
134 HD21 LEU 17 3HD2 LEU 17 30.698 23.243 14.669
135 HD22 LEU 17 1HD2 LEU 17 31.011 23.974 16.263
136 HD23 LEU 17 2HD2 LEU 17 31.122 22.224 16.062
137 H LEU 18 H LEU 18 27.912 22.027 20.318
138 HA LEU 18 HA LEU 18 25.801 19.908 20.297
139 HB2 LEU 18 2HB LEU 18 26.509 22.049 22.359
140 HB3 LEU 18 3HB LEU 18 25.123 20.980 22.459
141 HG LEU 18 HG LEU 18 26.696 20.176 23.948
142 HD11 LEU 18 1HD1 LEU 18 27.079 17.903 23.278
143 HD12 LEU 18 2HD1 LEU 18 25.525 18.429 22.609
144 HD13 LEU 18 3HD1 LEU 18 26.959 18.322 21.562
145 HD21 LEU 18 3HD2 LEU 18 28.952 19.673 23.583
146 HD22 LEU 18 1HD2 LEU 18 28.828 19.875 21.826
147 HD23 LEU 18 2HD2 LEU 18 28.704 21.287 22.903
148 H GLY 19 H GLY 19 23.630 20.516 20.332
149 HA2 GLY 19 3HA GLY 19 22.990 23.262 19.262
150 HA3 GLY 19 3HA GLY 19 22.020 21.827 18.953
151 H LYS 20 H LYS 20 21.640 24.576 20.432
152 HA LYS 20 HA LYS 20 20.189 23.446 22.808
153 HB2 LYS 20 2HB LYS 20 21.645 26.106 22.565
154 HB3 LYS 20 3HB LYS 20 20.800 25.491 23.987
155 HG2 LYS 20 2HG LYS 20 22.431 23.585 24.103
156 HG3 LYS 20 3HG LYS 20 23.318 24.289 22.729
157 HD2 LYS 20 2HD LYS 20 23.634 26.379 23.981
158 HD3 LYS 20 3HD LYS 20 22.780 25.666 25.372
159 HE2 LYS 20 2HE LYS 20 24.538 23.792 25.309
160 HE3 LYS 20 3HE LYS 20 25.441 24.798 24.172
161 HZ1 LYS 20 3HZ LYS 20 24.699 25.476 26.961
162 HZ2 LYS 20 1HZ LYS 20 26.225 25.233 26.377
163 HZ3 LYS 20 2HZ LYS 20 25.378 26.567 25.936
164 H CYS 21 H CYS 21 18.105 23.984 23.032
165 HA CYS 21 HA CYS 21 16.809 25.859 21.194
166 HB2 CYS 21 2HB CYS 21 15.794 23.687 21.901
167 HB3 CYS 21 3HB CYS 21 15.709 24.276 23.547
168 H ILE 22 H ILE 22 16.341 27.943 21.570
169 HA ILE 22 HA ILE 22 16.716 29.087 24.298
170 HB ILE 22 HB ILE 22 16.472 30.466 21.617
171 HG12 ILE 22 2HG1 ILE 22 18.511 29.175 21.548
172 HG13 ILE 22 3HG1 ILE 22 18.906 30.864 21.762
173 HG21 ILE 22 1HG2 ILE 22 17.524 32.404 22.845
174 HG22 ILE 22 2HG2 ILE 22 15.874 32.029 23.329
175 HG23 ILE 22 3HG2 ILE 22 17.230 31.529 24.362
176 HD11 ILE 22 3HD1 ILE 22 18.987 28.734 23.946
177 HD12 ILE 22 1HD1 ILE 22 20.367 29.484 23.127
178 HD13 ILE 22 2HD1 ILE 22 19.341 30.462 24.188
179 H GLY 23 H GLY 23 14.170 28.302 22.061
180 HA2 GLY 23 3HA GLY 23 12.102 28.297 23.834
181 HA3 GLY 23 3HA GLY 23 12.125 29.990 23.316
182 H GLU 24 H GLU 24 12.796 29.699 20.621
183 HA GLU 24 HA GLU 24 10.965 27.680 19.388
184 HB2 GLU 24 2HB GLU 24 9.883 29.307 17.981
185 HB3 GLU 24 3HB GLU 24 9.624 29.732 19.676
186 HG2 GLU 24 2HG GLU 24 10.569 31.768 19.391
187 HG3 GLU 24 3HG GLU 24 12.007 31.105 18.672
188 H GLU 25 H GLU 25 13.963 29.382 19.272
189 HA GLU 25 HA GLU 25 14.649 28.003 16.735
190 HB2 GLU 25 2HB GLU 25 14.172 30.397 16.294
191 HB3 GLU 25 3HB GLU 25 15.370 30.856 17.506
192 HG2 GLU 25 2HG GLU 25 16.308 31.123 15.306
193 HG3 GLU 25 3HG GLU 25 17.165 29.836 16.107
194 H CYS 26 H CYS 26 16.956 27.503 16.502
195 HA CYS 26 HA CYS 26 18.134 26.830 19.099
196 HB2 CYS 26 2HB CYS 26 19.447 25.267 17.861
197 HB3 CYS 26 3HB CYS 26 17.758 25.074 17.417
198 H LYS 27 H LYS 27 20.336 26.993 19.555
199 HA LYS 27 HA LYS 27 22.172 28.588 17.839
200 HB2 LYS 27 2HB LYS 27 21.985 28.720 20.891
201 HB3 LYS 27 3HB LYS 27 23.259 29.468 19.927
202 HG2 LYS 27 2HG LYS 27 20.301 30.207 19.783
203 HG3 LYS 27 3HG LYS 27 21.531 31.075 20.695
204 HD2 LYS 27 2HD LYS 27 22.765 31.598 18.652
205 HD3 LYS 27 3HD LYS 27 21.610 30.682 17.669
206 HE2 LYS 27 2HE LYS 27 20.628 32.920 19.460
207 HE3 LYS 27 3HE LYS 27 21.408 33.306 17.921
208 HZ1 LYS 27 3HZ LYS 27 19.786 32.079 16.740
209 HZ2 LYS 27 1HZ LYS 27 19.061 31.503 18.130
210 HZ3 LYS 27 2HZ LYS 27 18.985 33.091 17.715
211 H CYS 28 H CYS 28 24.551 27.953 18.347
212 HA CYS 28 HA CYS 28 24.788 25.314 19.577
213 HB2 CYS 28 2HB CYS 28 25.727 25.741 16.728
214 HB3 CYS 28 3HB CYS 28 26.040 24.355 17.737
215 H VAL 29 H VAL 29 26.819 24.687 20.143
216 HA VAL 29 HA VAL 29 29.071 26.576 19.874
217 HB VAL 29 HB VAL 29 29.338 26.639 22.354
218 HG11 VAL 29 1HG1 VAL 29 27.879 28.486 22.769
219 HG12 VAL 29 2HG1 VAL 29 28.454 28.583 21.100
220 HG13 VAL 29 3HG1 VAL 29 26.800 28.025 21.444
221 HG21 VAL 29 3HG2 VAL 29 27.445 26.298 23.827
222 HG22 VAL 29 1HG2 VAL 29 26.432 25.753 22.475
223 HG23 VAL 29 2HG2 VAL 29 27.832 24.785 22.998
224 HA PRO 30 HA PRO 30 31.406 22.842 19.992
225 HB2 PRO 30 2HB PRO 30 33.486 24.284 21.625
226 HB3 PRO 30 3HB PRO 30 33.688 23.350 20.111
227 HG2 PRO 30 2HG PRO 30 33.685 26.047 20.034
228 HG3 PRO 30 3HG PRO 30 32.746 25.131 18.808
229 HD2 PRO 30 2HD PRO 30 31.742 26.408 21.377
230 HD3 PRO 30 3HD PRO 30 31.097 26.549 19.715
231 H TYR 31 H TYR 31 32.454 21.158 21.334
232 HA TYR 31 HA TYR 31 31.216 20.617 23.878
233 HB2 TYR 31 2HB TYR 31 33.556 19.347 22.418
234 HB3 TYR 31 3HB TYR 31 33.009 18.808 23.984
235 HD1 TYR 31 HD1 TYR 31 30.683 17.904 24.310
236 HD2 TYR 31 HD2 TYR 31 32.362 18.671 20.405
237 HE1 TYR 31 HE1 TYR 31 29.090 16.260 23.292
238 HE2 TYR 31 HE2 TYR 31 30.738 17.083 19.400
239 HH TYR 31 HH TYR 31 28.989 15.658 19.782
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 11.177 21.046 26.206
2 H2 ALA 1 H2 ALA 1 10.717 22.431 26.949
3 H3 ALA 1 H3 ALA 1 12.158 22.368 26.143
4 HA ALA 1 HA ALA 1 9.480 22.160 24.972
5 HB1 ALA 1 3HB ALA 1 11.534 24.381 24.589
6 HB2 ALA 1 1HB ALA 1 9.901 24.305 23.906
7 HB3 ALA 1 2HB ALA 1 10.120 24.481 25.657
8 H PHE 2 H PHE 2 9.285 21.332 22.982
9 HA PHE 2 HA PHE 2 11.711 20.162 21.737
10 HB2 PHE 2 2HB PHE 2 9.780 18.717 22.211
11 HB3 PHE 2 3HB PHE 2 8.774 19.693 21.147
12 HD1 PHE 2 HD1 PHE 2 11.861 17.567 21.257
13 HD2 PHE 2 HD2 PHE 2 8.768 19.264 18.777
14 HE1 PHE 2 HE1 PHE 2 12.696 16.255 19.315
15 HE2 PHE 2 HE2 PHE 2 9.599 17.948 16.840
16 HZ PHE 2 HZ PHE 2 11.574 16.459 17.106
17 H CYS 3 H CYS 3 12.715 21.845 20.762
18 HA CYS 3 HA CYS 3 11.321 23.694 19.000
19 HB2 CYS 3 2HB CYS 3 14.254 23.486 19.668
20 HB3 CYS 3 3HB CYS 3 13.461 24.825 18.851
21 H ASN 4 H ASN 4 13.104 24.231 16.976
22 HA ASN 4 HA ASN 4 12.843 22.143 15.026
23 HB2 ASN 4 2HB ASN 4 14.095 23.619 13.599
24 HB3 ASN 4 3HB ASN 4 12.884 24.523 14.474
25 HD21 ASN 4 2HD2 ASN 4 14.991 25.764 13.235
26 HD22 ASN 4 1HD2 ASN 4 16.153 26.372 14.408
27 H LEU 5 H LEU 5 13.957 20.810 17.056
28 HA LEU 5 HA LEU 5 16.831 20.921 17.275
29 HB2 LEU 5 2HB LEU 5 14.794 18.888 18.275
30 HB3 LEU 5 3HB LEU 5 16.455 19.049 18.850
31 HG LEU 5 HG LEU 5 14.292 21.199 19.111
32 HD11 LEU 5 1HD1 LEU 5 13.905 19.226 20.545
33 HD12 LEU 5 2HD1 LEU 5 15.547 19.415 21.200
34 HD13 LEU 5 3HD1 LEU 5 14.328 20.667 21.492
35 HD21 LEU 5 3HD2 LEU 5 16.465 22.278 19.013
36 HD22 LEU 5 1HD2 LEU 5 15.949 22.227 20.710
37 HD23 LEU 5 2HD2 LEU 5 17.156 21.073 20.122
38 H ARG 6 H ARG 6 14.684 19.020 15.294
39 HA ARG 6 HA ARG 6 16.701 17.080 14.390
40 HB2 ARG 6 2HB ARG 6 14.169 17.967 12.974
41 HB3 ARG 6 3HB ARG 6 15.108 16.533 12.642
42 HG2 ARG 6 2HG ARG 6 13.597 16.961 15.266
43 HG3 ARG 6 3HG ARG 6 12.940 16.191 13.834
44 HD2 ARG 6 2HD ARG 6 13.590 14.316 14.842
45 HD3 ARG 6 3HD ARG 6 15.099 14.645 14.019
46 HE ARG 6 HE ARG 6 16.057 15.440 16.130
47 HH11 ARG 6 1HH1 ARG 6 12.872 13.893 16.673
48 HH12 ARG 6 2HH1 ARG 6 13.449 13.333 18.240
49 HH21 ARG 6 1HH2 ARG 6 16.511 14.700 18.102
50 HH22 ARG 6 2HH2 ARG 6 15.316 13.750 18.994
51 H ARG 7 H ARG 7 15.508 20.254 13.119
52 HA ARG 7 HA ARG 7 17.363 20.343 10.861
53 HB2 ARG 7 2HB ARG 7 15.817 22.437 12.425
54 HB3 ARG 7 3HB ARG 7 17.089 22.920 11.312
55 HG2 ARG 7 2HG ARG 7 15.953 21.823 9.440
56 HG3 ARG 7 3HG ARG 7 14.653 21.284 10.509
57 HD2 ARG 7 2HD ARG 7 14.041 23.583 11.027
58 HD3 ARG 7 3HD ARG 7 15.452 24.198 10.135
59 HE ARG 7 HE ARG 7 13.805 22.624 8.396
60 HH11 ARG 7 1HH1 ARG 7 13.763 25.834 9.897
61 HH12 ARG 7 2HH1 ARG 7 12.871 26.495 8.531
62 HH21 ARG 7 1HH2 ARG 7 12.603 23.669 6.739
63 HH22 ARG 7 2HH2 ARG 7 12.250 25.372 6.957
64 H CYS 8 H CYS 8 17.543 21.644 14.161
65 HA CYS 8 HA CYS 8 20.083 22.833 13.801
66 HB2 CYS 8 2HB CYS 8 18.289 23.538 15.331
67 HB3 CYS 8 3HB CYS 8 18.580 22.120 16.332
68 H GLU 9 H GLU 9 19.373 20.029 16.038
69 HA GLU 9 HA GLU 9 22.147 19.822 16.738
70 HB2 GLU 9 2HB GLU 9 19.915 17.784 17.141
71 HB3 GLU 9 3HB GLU 9 21.498 17.773 17.912
72 HG2 GLU 9 2HG GLU 9 20.972 20.018 18.926
73 HG3 GLU 9 3HG GLU 9 19.336 19.896 18.272
74 H LEU 10 H LEU 10 20.198 18.032 14.353
75 HA LEU 10 HA LEU 10 22.300 16.060 13.881
76 HB2 LEU 10 2HB LEU 10 19.798 16.512 12.237
77 HB3 LEU 10 3HB LEU 10 20.798 15.070 12.303
78 HG LEU 10 HG LEU 10 19.033 16.157 14.540
79 HD11 LEU 10 1HD1 LEU 10 17.819 15.081 12.681
80 HD12 LEU 10 2HD1 LEU 10 18.826 13.626 12.872
81 HD13 LEU 10 3HD1 LEU 10 17.724 14.123 14.172
82 HD21 LEU 10 3HD2 LEU 10 20.811 13.684 14.479
83 HD22 LEU 10 1HD2 LEU 10 20.981 15.082 15.566
84 HD23 LEU 10 2HD2 LEU 10 19.581 14.014 15.712
85 H SER 11 H SER 11 22.015 19.213 12.912
86 HA SER 11 HA SER 11 23.805 18.880 10.540
87 HB2 SER 11 2HB SER 11 22.370 21.234 11.787
88 HB3 SER 11 3HB SER 11 23.622 21.426 10.537
89 HG SER 11 HG SER 11 22.365 20.299 9.102
90 H CYS 12 H CYS 12 23.718 20.423 13.836
91 HA CYS 12 HA CYS 12 26.453 21.245 13.698
92 HB2 CYS 12 2HB CYS 12 24.600 20.864 16.072
93 HB3 CYS 12 3HB CYS 12 26.152 21.710 16.108
94 H ARG 13 H ARG 13 25.043 18.185 14.822
95 HA ARG 13 HA ARG 13 27.418 16.961 15.858
96 HB2 ARG 13 2HB ARG 13 24.904 15.884 14.534
97 HB3 ARG 13 3HB ARG 13 26.211 14.819 15.056
98 HG2 ARG 13 2HG ARG 13 26.048 15.614 17.357
99 HG3 ARG 13 3HG ARG 13 24.770 16.760 16.912
100 HD2 ARG 13 2HD ARG 13 23.358 14.828 16.174
101 HD3 ARG 13 3HD ARG 13 24.641 13.724 16.709
102 HE ARG 13 HE ARG 13 23.961 15.439 18.893
103 HH11 ARG 13 1HH1 ARG 13 22.642 12.651 17.183
104 HH12 ARG 13 2HH1 ARG 13 21.665 12.222 18.591
105 HH21 ARG 13 2HH2 ARG 13 22.606 14.766 20.588
106 HH22 ARG 13 1HH2 ARG 13 21.768 13.252 20.379
107 H SER 14 H SER 14 26.755 17.822 12.515
108 HA SER 14 HA SER 14 28.637 15.964 11.326
109 HB2 SER 14 2HB SER 14 27.791 18.707 10.348
110 HB3 SER 14 3HB SER 14 28.541 17.433 9.395
111 HG SER 14 HG SER 14 26.153 17.798 9.392
112 H LEU 15 H LEU 15 29.006 19.011 13.034
113 HA LEU 15 HA LEU 15 31.872 19.268 12.194
114 HB2 LEU 15 2HB LEU 15 29.942 21.247 13.457
115 HB3 LEU 15 3HB LEU 15 31.620 21.590 13.032
116 HG LEU 15 HG LEU 15 29.417 20.912 11.045
117 HD11 LEU 15 1HD1 LEU 15 30.745 23.568 11.731
118 HD12 LEU 15 2HD1 LEU 15 29.571 23.290 10.425
119 HD13 LEU 15 3HD1 LEU 15 29.071 23.096 12.107
120 HD21 LEU 15 3HD2 LEU 15 32.285 21.859 10.614
121 HD22 LEU 15 1HD2 LEU 15 31.628 20.261 10.177
122 HD23 LEU 15 2HD2 LEU 15 31.037 21.713 9.357
123 H GLY 16 H GLY 16 29.856 18.579 14.952
124 HA2 GLY 16 3HA GLY 16 30.689 17.610 16.969
125 HA3 GLY 16 3HA GLY 16 32.246 18.400 16.738
126 H LEU 17 H LEU 17 29.272 20.256 16.324
127 HA LEU 17 HA LEU 17 29.763 21.689 18.899
128 HB2 LEU 17 2HB LEU 17 27.846 23.103 17.422
129 HB3 LEU 17 3HB LEU 17 29.438 23.614 17.901
130 HG LEU 17 HG LEU 17 28.903 22.125 15.299
131 HD11 LEU 17 1HD1 LEU 17 28.978 25.119 15.819
132 HD12 LEU 17 2HD1 LEU 17 28.951 24.355 14.219
133 HD13 LEU 17 3HD1 LEU 17 27.565 24.169 15.300
134 HD21 LEU 17 3HD2 LEU 17 31.163 23.984 16.187
135 HD22 LEU 17 1HD2 LEU 17 31.298 22.223 16.077
136 HD23 LEU 17 2HD2 LEU 17 31.029 23.187 14.606
137 H LEU 18 H LEU 18 27.949 22.036 20.314
138 HA LEU 18 HA LEU 18 25.785 20.004 20.010
139 HB2 LEU 18 2HB LEU 18 26.997 21.450 22.383
140 HB3 LEU 18 3HB LEU 18 25.391 20.729 22.458
141 HG LEU 18 HG LEU 18 26.323 18.527 21.764
142 HD11 LEU 18 1HD1 LEU 18 28.782 18.153 22.122
143 HD12 LEU 18 2HD1 LEU 18 28.424 19.080 20.675
144 HD13 LEU 18 3HD1 LEU 18 29.012 19.918 22.128
145 HD21 LEU 18 3HD2 LEU 18 27.539 19.759 24.265
146 HD22 LEU 18 1HD2 LEU 18 25.892 19.101 24.110
147 HD23 LEU 18 2HD2 LEU 18 27.286 18.027 23.961
148 H GLY 19 H GLY 19 23.649 20.501 20.123
149 HA2 GLY 19 3HA GLY 19 22.974 23.321 19.385
150 HA3 GLY 19 3HA GLY 19 22.078 21.907 18.892
151 H LYS 20 H LYS 20 21.779 24.542 20.649
152 HA LYS 20 HA LYS 20 20.067 23.385 22.822
153 HB2 LYS 20 2HB LYS 20 21.886 25.818 22.992
154 HB3 LYS 20 3HB LYS 20 20.929 25.102 24.291
155 HG2 LYS 20 2HG LYS 20 22.346 23.039 24.177
156 HG3 LYS 20 3HG LYS 20 23.316 23.783 22.893
157 HD2 LYS 20 2HD LYS 20 23.926 25.634 24.360
158 HD3 LYS 20 3HD LYS 20 23.000 24.912 25.692
159 HE2 LYS 20 2HE LYS 20 24.434 22.859 25.551
160 HE3 LYS 20 3HE LYS 20 25.378 23.632 24.271
161 HZ1 LYS 20 3HZ LYS 20 25.190 24.491 27.096
162 HZ2 LYS 20 1HZ LYS 20 26.536 23.978 26.257
163 HZ3 LYS 20 2HZ LYS 20 25.858 25.434 25.942
164 H CYS 21 H CYS 21 18.118 24.390 23.174
165 HA CYS 21 HA CYS 21 17.333 26.513 21.244
166 HB2 CYS 21 2HB CYS 21 16.061 24.394 21.360
167 HB3 CYS 21 3HB CYS 21 15.563 24.816 23.001
168 H ILE 22 H ILE 22 17.235 28.560 21.784
169 HA ILE 22 HA ILE 22 17.449 29.392 24.577
170 HB ILE 22 HB ILE 22 17.047 31.138 22.133
171 HG12 ILE 22 2HG1 ILE 22 19.003 29.807 21.657
172 HG13 ILE 22 3HG1 ILE 22 19.489 31.439 22.061
173 HG21 ILE 22 1HG2 ILE 22 18.150 31.700 24.921
174 HG22 ILE 22 2HG2 ILE 22 18.253 32.829 23.560
175 HG23 ILE 22 3HG2 ILE 22 16.675 32.362 24.192
176 HD11 ILE 22 3HD1 ILE 22 21.016 29.789 23.033
177 HD12 ILE 22 1HD1 ILE 22 20.198 30.686 24.322
178 HD13 ILE 22 2HD1 ILE 22 19.689 29.026 23.923
179 H GLY 23 H GLY 23 14.868 29.330 22.155
180 HA2 GLY 23 3HA GLY 23 12.838 28.780 23.919
181 HA3 GLY 23 3HA GLY 23 12.831 30.546 23.853
182 H GLU 24 H GLU 24 13.663 30.555 20.975
183 HA GLU 24 HA GLU 24 11.044 29.919 19.695
184 HB2 GLU 24 2HB GLU 24 12.073 31.770 18.068
185 HB3 GLU 24 3HB GLU 24 11.073 32.130 19.452
186 HG2 GLU 24 2HG GLU 24 12.878 33.687 19.320
187 HG3 GLU 24 3HG GLU 24 12.978 32.758 20.810
188 H GLU 25 H GLU 25 14.554 29.849 19.161
189 HA GLU 25 HA GLU 25 14.234 27.430 17.567
190 HB2 GLU 25 2HB GLU 25 15.315 28.127 15.601
191 HB3 GLU 25 3HB GLU 25 14.020 29.281 15.869
192 HG2 GLU 25 2HG GLU 25 15.708 30.877 16.840
193 HG3 GLU 25 3HG GLU 25 16.983 29.710 16.452
194 H CYS 26 H CYS 26 16.213 26.350 17.166
195 HA CYS 26 HA CYS 26 18.077 26.563 19.382
196 HB2 CYS 26 2HB CYS 26 17.120 24.485 18.801
197 HB3 CYS 26 3HB CYS 26 17.590 24.642 17.120
198 H LYS 27 H LYS 27 20.246 26.733 19.325
199 HA LYS 27 HA LYS 27 21.691 27.576 16.882
200 HB2 LYS 27 2HB LYS 27 21.893 29.085 19.537
201 HB3 LYS 27 3HB LYS 27 22.921 29.307 18.131
202 HG2 LYS 27 2HG LYS 27 21.526 31.036 17.731
203 HG3 LYS 27 3HG LYS 27 20.607 29.793 16.884
204 HD2 LYS 27 2HD LYS 27 19.250 29.508 19.040
205 HD3 LYS 27 3HD LYS 27 20.134 30.896 19.693
206 HE2 LYS 27 2HE LYS 27 19.278 32.317 17.859
207 HE3 LYS 27 3HE LYS 27 18.463 30.920 17.143
208 HZ1 LYS 27 3HZ LYS 27 17.117 30.770 19.238
209 HZ2 LYS 27 1HZ LYS 27 17.815 32.165 19.773
210 HZ3 LYS 27 2HZ LYS 27 16.859 32.173 18.489
211 H CYS 28 H CYS 28 24.246 27.494 17.564
212 HA CYS 28 HA CYS 28 24.575 25.105 19.248
213 HB2 CYS 28 2HB CYS 28 25.688 25.314 16.449
214 HB3 CYS 28 3HB CYS 28 25.955 24.022 17.614
215 H VAL 29 H VAL 29 26.617 24.645 19.926
216 HA VAL 29 HA VAL 29 28.506 26.926 20.133
217 HB VAL 29 HB VAL 29 28.108 26.967 22.564
218 HG11 VAL 29 1HG1 VAL 29 26.904 28.584 21.124
219 HG12 VAL 29 2HG1 VAL 29 25.482 27.509 21.163
220 HG13 VAL 29 3HG1 VAL 29 26.097 28.217 22.655
221 HG21 VAL 29 3HG2 VAL 29 25.692 25.184 22.091
222 HG22 VAL 29 1HG2 VAL 29 27.199 24.685 22.895
223 HG23 VAL 29 2HG2 VAL 29 26.200 25.950 23.610
224 HA PRO 30 HA PRO 30 31.690 24.066 20.826
225 HB2 PRO 30 2HB PRO 30 32.232 25.283 23.549
226 HB3 PRO 30 3HB PRO 30 33.405 24.816 22.274
227 HG2 PRO 30 2HG PRO 30 32.636 27.394 22.507
228 HG3 PRO 30 3HG PRO 30 32.721 26.645 20.880
229 HD2 PRO 30 2HD PRO 30 30.303 27.161 22.595
230 HD3 PRO 30 3HD PRO 30 30.503 27.355 20.831
231 H TYR 31 H TYR 31 29.949 24.287 23.971
232 HA TYR 31 HA TYR 31 29.088 21.565 23.862
233 HB2 TYR 31 2HB TYR 31 31.548 21.732 25.010
234 HB3 TYR 31 3HB TYR 31 30.578 22.152 26.411
235 HD1 TYR 31 HD1 TYR 31 30.900 19.736 23.643
236 HD2 TYR 31 HD2 TYR 31 29.487 20.377 27.624
237 HE1 TYR 31 HE1 TYR 31 30.447 17.255 23.865
238 HE2 TYR 31 HE2 TYR 31 28.988 17.933 27.870
239 HH TYR 31 HH TYR 31 29.634 15.607 25.201
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 10.561 26.369 26.142
2 H2 ALA 1 H2 ALA 1 10.289 26.281 24.526
3 H3 ALA 1 H3 ALA 1 11.711 25.729 25.178
4 HA ALA 1 HA ALA 1 10.571 24.034 26.389
5 HB1 ALA 1 3HB ALA 1 8.118 24.990 24.849
6 HB2 ALA 1 1HB ALA 1 8.212 23.530 25.854
7 HB3 ALA 1 2HB ALA 1 8.395 25.128 26.596
8 H PHE 2 H PHE 2 9.485 24.573 22.946
9 HA PHE 2 HA PHE 2 10.748 21.918 22.318
10 HB2 PHE 2 2HB PHE 2 8.109 23.087 21.403
11 HB3 PHE 2 3HB PHE 2 8.916 21.752 20.584
12 HD1 PHE 2 HD1 PHE 2 9.173 19.540 21.640
13 HD2 PHE 2 HD2 PHE 2 7.011 22.721 23.575
14 HE1 PHE 2 HE1 PHE 2 8.147 17.907 23.191
15 HE2 PHE 2 HE2 PHE 2 5.986 21.074 25.115
16 HZ PHE 2 HZ PHE 2 6.556 18.662 24.942
17 H CYS 3 H CYS 3 12.285 21.949 20.858
18 HA CYS 3 HA CYS 3 12.438 24.143 18.857
19 HB2 CYS 3 2HB CYS 3 14.082 24.095 20.636
20 HB3 CYS 3 3HB CYS 3 14.652 22.560 20.068
21 H ASN 4 H ASN 4 13.049 23.785 16.689
22 HA ASN 4 HA ASN 4 12.428 21.146 15.559
23 HB2 ASN 4 2HB ASN 4 11.863 23.249 14.412
24 HB3 ASN 4 3HB ASN 4 13.568 23.638 14.242
25 HD21 ASN 4 2HD2 ASN 4 12.177 23.601 12.000
26 HD22 ASN 4 1HD2 ASN 4 12.327 22.069 11.110
27 H LEU 5 H LEU 5 13.815 20.063 16.943
28 HA LEU 5 HA LEU 5 16.624 20.590 17.152
29 HB2 LEU 5 2HB LEU 5 14.803 18.343 18.082
30 HB3 LEU 5 3HB LEU 5 16.502 18.452 18.535
31 HG LEU 5 HG LEU 5 14.560 20.738 19.080
32 HD11 LEU 5 1HD1 LEU 5 13.696 18.728 20.193
33 HD12 LEU 5 2HD1 LEU 5 15.302 18.397 20.876
34 HD13 LEU 5 3HD1 LEU 5 14.393 19.835 21.383
35 HD21 LEU 5 3HD2 LEU 5 16.966 21.314 19.224
36 HD22 LEU 5 1HD2 LEU 5 16.276 21.248 20.852
37 HD23 LEU 5 2HD2 LEU 5 17.252 19.900 20.262
38 H ARG 6 H ARG 6 14.741 18.273 15.264
39 HA ARG 6 HA ARG 6 16.840 16.762 14.078
40 HB2 ARG 6 2HB ARG 6 14.286 16.564 13.824
41 HB3 ARG 6 3HB ARG 6 14.392 17.803 12.577
42 HG2 ARG 6 2HG ARG 6 15.779 15.075 12.536
43 HG3 ARG 6 3HG ARG 6 14.262 15.459 11.755
44 HD2 ARG 6 2HD ARG 6 15.564 17.258 10.425
45 HD3 ARG 6 3HD ARG 6 17.024 16.421 11.007
46 HE ARG 6 HE ARG 6 15.009 14.690 9.753
47 HH11 ARG 6 1HH1 ARG 6 17.977 16.508 9.037
48 HH12 ARG 6 2HH1 ARG 6 18.202 15.558 7.576
49 HH21 ARG 6 1HH2 ARG 6 15.403 13.657 7.990
50 HH22 ARG 6 2HH2 ARG 6 16.810 14.028 6.989
51 H ARG 7 H ARG 7 15.634 20.008 13.146
52 HA ARG 7 HA ARG 7 17.578 20.374 10.990
53 HB2 ARG 7 2HB ARG 7 15.212 21.293 11.270
54 HB3 ARG 7 3HB ARG 7 15.880 22.470 12.397
55 HG2 ARG 7 2HG ARG 7 17.326 23.354 10.532
56 HG3 ARG 7 3HG ARG 7 16.662 22.098 9.472
57 HD2 ARG 7 2HD ARG 7 15.272 23.855 8.922
58 HD3 ARG 7 3HD ARG 7 14.333 23.068 10.160
59 HE ARG 7 HE ARG 7 14.866 24.839 11.726
60 HH11 ARG 7 1HH1 ARG 7 16.331 25.517 8.605
61 HH12 ARG 7 2HH1 ARG 7 16.068 27.239 8.752
62 HH21 ARG 7 1HH2 ARG 7 14.782 27.051 11.939
63 HH22 ARG 7 2HH2 ARG 7 15.306 28.082 10.620
64 H CYS 8 H CYS 8 17.731 20.789 14.366
65 HA CYS 8 HA CYS 8 19.968 22.741 14.288
66 HB2 CYS 8 2HB CYS 8 17.878 23.002 15.713
67 HB3 CYS 8 3HB CYS 8 18.470 21.680 16.693
68 H GLU 9 H GLU 9 19.381 19.793 16.294
69 HA GLU 9 HA GLU 9 22.082 19.428 17.108
70 HB2 GLU 9 2HB GLU 9 19.646 17.608 16.946
71 HB3 GLU 9 3HB GLU 9 21.171 17.040 17.594
72 HG2 GLU 9 2HG GLU 9 19.972 19.580 18.735
73 HG3 GLU 9 3HG GLU 9 19.287 18.017 19.165
74 H LEU 10 H LEU 10 20.236 17.595 14.613
75 HA LEU 10 HA LEU 10 22.449 15.825 14.117
76 HB2 LEU 10 2HB LEU 10 20.050 16.310 12.302
77 HB3 LEU 10 3HB LEU 10 21.070 14.880 12.367
78 HG LEU 10 HG LEU 10 19.104 15.797 14.499
79 HD11 LEU 10 1HD1 LEU 10 17.887 13.771 13.887
80 HD12 LEU 10 2HD1 LEU 10 18.148 14.770 12.442
81 HD13 LEU 10 3HD1 LEU 10 19.145 13.332 12.711
82 HD21 LEU 10 3HD2 LEU 10 20.918 13.349 14.490
83 HD22 LEU 10 1HD2 LEU 10 21.012 14.719 15.622
84 HD23 LEU 10 2HD2 LEU 10 19.599 13.654 15.639
85 H SER 11 H SER 11 21.993 18.953 13.101
86 HA SER 11 HA SER 11 23.849 18.754 10.782
87 HB2 SER 11 2HB SER 11 21.503 20.601 11.308
88 HB3 SER 11 3HB SER 11 22.657 20.793 9.956
89 HG SER 11 HG SER 11 20.982 19.746 9.155
90 H CYS 12 H CYS 12 23.865 19.542 13.935
91 HA CYS 12 HA CYS 12 26.003 21.612 13.583
92 HB2 CYS 12 2HB CYS 12 24.049 21.119 15.857
93 HB3 CYS 12 3HB CYS 12 25.586 21.944 16.107
94 H ARG 13 H ARG 13 25.100 18.524 15.227
95 HA ARG 13 HA ARG 13 27.641 18.104 16.484
96 HB2 ARG 13 2HB ARG 13 25.508 16.147 15.542
97 HB3 ARG 13 3HB ARG 13 26.902 15.724 16.546
98 HG2 ARG 13 2HG ARG 13 26.153 17.324 18.285
99 HG3 ARG 13 3HG ARG 13 24.694 17.677 17.342
100 HD2 ARG 13 2HD ARG 13 24.253 15.151 17.335
101 HD3 ARG 13 3HD ARG 13 25.559 15.019 18.528
102 HE ARG 13 HE ARG 13 23.511 16.932 19.353
103 HH11 ARG 13 1HH1 ARG 13 24.154 13.471 19.168
104 HH12 ARG 13 2HH1 ARG 13 22.875 13.127 20.335
105 HH21 ARG 13 1HH2 ARG 13 22.005 16.330 20.934
106 HH22 ARG 13 2HH2 ARG 13 21.791 14.613 21.281
107 H SER 14 H SER 14 26.622 17.576 13.189
108 HA SER 14 HA SER 14 28.869 16.144 12.172
109 HB2 SER 14 2HB SER 14 28.091 17.231 10.007
110 HB3 SER 14 3HB SER 14 26.861 16.302 10.889
111 HG SER 14 HG SER 14 26.242 18.460 10.114
112 H LEU 15 H LEU 15 28.775 19.338 13.447
113 HA LEU 15 HA LEU 15 31.441 19.967 12.227
114 HB2 LEU 15 2HB LEU 15 29.519 21.787 13.690
115 HB3 LEU 15 3HB LEU 15 30.998 22.272 12.870
116 HG LEU 15 HG LEU 15 28.493 21.209 11.499
117 HD11 LEU 15 1HD1 LEU 15 28.108 23.379 12.561
118 HD12 LEU 15 2HD1 LEU 15 29.565 24.040 11.782
119 HD13 LEU 15 3HD1 LEU 15 28.168 23.540 10.801
120 HD21 LEU 15 3HD2 LEU 15 29.566 22.069 9.443
121 HD22 LEU 15 1HD2 LEU 15 31.026 22.489 10.367
122 HD23 LEU 15 2HD2 LEU 15 30.534 20.789 10.180
123 H GLY 16 H GLY 16 30.166 18.539 14.954
124 HA2 GLY 16 3HA GLY 16 31.147 18.013 16.982
125 HA3 GLY 16 3HA GLY 16 32.446 19.168 16.680
126 H LEU 17 H LEU 17 29.305 20.596 16.330
127 HA LEU 17 HA LEU 17 29.497 21.758 19.058
128 HB2 LEU 17 2HB LEU 17 27.738 23.429 17.871
129 HB3 LEU 17 3HB LEU 17 29.431 23.741 18.164
130 HG LEU 17 HG LEU 17 28.536 22.546 15.540
131 HD11 LEU 17 1HD1 LEU 17 28.564 24.875 14.641
132 HD12 LEU 17 2HD1 LEU 17 27.228 24.555 15.750
133 HD13 LEU 17 3HD1 LEU 17 28.638 25.484 16.313
134 HD21 LEU 17 3HD2 LEU 17 30.864 24.364 16.312
135 HD22 LEU 17 1HD2 LEU 17 30.995 22.616 16.212
136 HD23 LEU 17 2HD2 LEU 17 30.615 23.552 14.742
137 H LEU 18 H LEU 18 27.554 21.888 20.354
138 HA LEU 18 HA LEU 18 25.563 19.825 19.614
139 HB2 LEU 18 2HB LEU 18 26.481 21.105 22.186
140 HB3 LEU 18 3HB LEU 18 24.889 20.369 22.110
141 HG LEU 18 HG LEU 18 26.537 18.853 23.051
142 HD11 LEU 18 1HD1 LEU 18 26.011 16.874 21.765
143 HD12 LEU 18 2HD1 LEU 18 24.594 17.939 21.815
144 HD13 LEU 18 3HD1 LEU 18 25.586 17.841 20.354
145 HD21 LEU 18 3HD2 LEU 18 28.307 17.822 21.780
146 HD22 LEU 18 1HD2 LEU 18 27.905 18.754 20.334
147 HD23 LEU 18 2HD2 LEU 18 28.550 19.574 21.779
148 H GLY 19 H GLY 19 23.402 20.115 19.561
149 HA2 GLY 19 3HA GLY 19 22.429 22.741 18.715
150 HA3 GLY 19 3HA GLY 19 21.503 21.249 18.845
151 H LYS 20 H LYS 20 22.066 24.260 20.143
152 HA LYS 20 HA LYS 20 20.973 23.679 22.882
153 HB2 LYS 20 2HB LYS 20 23.336 25.393 22.019
154 HB3 LYS 20 3HB LYS 20 22.575 25.501 23.612
155 HG2 LYS 20 2HG LYS 20 23.176 23.267 24.204
156 HG3 LYS 20 3HG LYS 20 23.722 22.887 22.560
157 HD2 LYS 20 2HD LYS 20 25.537 24.461 22.698
158 HD3 LYS 20 3HD LYS 20 24.988 25.062 24.283
159 HE2 LYS 20 2HE LYS 20 25.439 22.938 25.334
160 HE3 LYS 20 3HE LYS 20 25.734 22.156 23.782
161 HZ1 LYS 20 3HZ LYS 20 27.698 23.577 23.502
162 HZ2 LYS 20 1HZ LYS 20 27.434 24.270 24.990
163 HZ3 LYS 20 2HZ LYS 20 27.791 22.676 24.858
164 H CYS 21 H CYS 21 18.940 24.192 21.895
165 HA CYS 21 HA CYS 21 18.452 26.760 20.678
166 HB2 CYS 21 2HB CYS 21 16.516 24.762 21.878
167 HB3 CYS 21 3HB CYS 21 16.090 26.112 20.834
168 H ILE 22 H ILE 22 17.082 28.441 21.519
169 HA ILE 22 HA ILE 22 17.583 28.962 24.425
170 HB ILE 22 HB ILE 22 17.635 31.415 23.707
171 HG12 ILE 22 2HG1 ILE 22 18.467 31.914 21.478
172 HG13 ILE 22 3HG1 ILE 22 18.346 30.232 20.976
173 HG21 ILE 22 1HG2 ILE 22 19.882 29.560 22.846
174 HG22 ILE 22 2HG2 ILE 22 20.015 31.277 23.304
175 HG23 ILE 22 3HG2 ILE 22 19.546 30.080 24.508
176 HD11 ILE 22 3HD1 ILE 22 15.886 30.357 21.100
177 HD12 ILE 22 1HD1 ILE 22 15.996 32.016 21.735
178 HD13 ILE 22 2HD1 ILE 22 16.528 31.657 20.079
179 H GLY 23 H GLY 23 15.358 27.596 23.831
180 HA2 GLY 23 3HA GLY 23 13.218 28.170 25.114
181 HA3 GLY 23 3HA GLY 23 13.078 29.544 24.011
182 H GLU 24 H GLU 24 12.733 29.177 21.788
183 HA GLU 24 HA GLU 24 11.794 26.440 21.034
184 HB2 GLU 24 2HB GLU 24 10.456 28.826 19.864
185 HB3 GLU 24 3HB GLU 24 9.825 27.208 20.133
186 HG2 GLU 24 2HG GLU 24 10.162 29.473 22.125
187 HG3 GLU 24 3HG GLU 24 8.673 28.865 21.448
188 H GLU 25 H GLU 25 14.149 28.553 20.356
189 HA GLU 25 HA GLU 25 14.298 27.874 17.448
190 HB2 GLU 25 2HB GLU 25 13.373 30.121 17.848
191 HB3 GLU 25 3HB GLU 25 14.805 30.569 18.763
192 HG2 GLU 25 2HG GLU 25 14.842 31.502 16.513
193 HG3 GLU 25 3HG GLU 25 16.183 30.387 16.748
194 H CYS 26 H CYS 26 16.372 27.886 16.454
195 HA CYS 26 HA CYS 26 18.210 26.477 18.221
196 HB2 CYS 26 2HB CYS 26 17.434 25.480 16.158
197 HB3 CYS 26 3HB CYS 26 18.069 26.836 15.227
198 H LYS 27 H LYS 27 19.917 27.267 19.161
199 HA LYS 27 HA LYS 27 21.980 28.630 17.499
200 HB2 LYS 27 2HB LYS 27 21.349 28.849 20.467
201 HB3 LYS 27 3HB LYS 27 22.976 29.134 19.858
202 HG2 LYS 27 2HG LYS 27 22.275 30.956 18.483
203 HG3 LYS 27 3HG LYS 27 20.553 30.621 18.762
204 HD2 LYS 27 2HD LYS 27 20.717 31.199 21.069
205 HD3 LYS 27 3HD LYS 27 22.481 31.352 20.999
206 HE2 LYS 27 2HE LYS 27 22.313 33.237 19.447
207 HE3 LYS 27 3HE LYS 27 20.555 33.103 19.397
208 HZ1 LYS 27 3HZ LYS 27 20.415 33.866 21.643
209 HZ2 LYS 27 1HZ LYS 27 22.011 33.675 21.932
210 HZ3 LYS 27 2HZ LYS 27 21.462 34.864 20.908
211 H CYS 28 H CYS 28 24.210 27.771 18.066
212 HA CYS 28 HA CYS 28 24.265 25.159 19.405
213 HB2 CYS 28 2HB CYS 28 25.387 25.409 16.613
214 HB3 CYS 28 3HB CYS 28 25.479 24.019 17.660
215 H VAL 29 H VAL 29 26.167 24.787 20.414
216 HA VAL 29 HA VAL 29 28.656 25.958 19.441
217 HB VAL 29 HB VAL 29 29.268 26.900 21.677
218 HG11 VAL 29 1HG1 VAL 29 28.338 29.065 21.337
219 HG12 VAL 29 2HG1 VAL 29 28.673 28.350 19.752
220 HG13 VAL 29 3HG1 VAL 29 27.005 28.422 20.369
221 HG21 VAL 29 3HG2 VAL 29 26.279 26.900 22.240
222 HG22 VAL 29 1HG2 VAL 29 27.509 25.918 23.082
223 HG23 VAL 29 2HG2 VAL 29 27.545 27.676 23.203
224 HA PRO 30 HA PRO 30 30.321 22.207 21.091
225 HB2 PRO 30 2HB PRO 30 32.749 23.761 21.949
226 HB3 PRO 30 3HB PRO 30 32.657 22.286 20.943
227 HG2 PRO 30 2HG PRO 30 33.117 24.676 19.778
228 HG3 PRO 30 3HG PRO 30 31.941 23.540 19.034
229 HD2 PRO 30 2HD PRO 30 31.369 25.891 20.876
230 HD3 PRO 30 3HD PRO 30 30.640 25.497 19.291
231 H TYR 31 H TYR 31 31.317 21.154 23.035
232 HA TYR 31 HA TYR 31 29.962 21.708 25.438
233 HB2 TYR 31 2HB TYR 31 32.121 19.865 24.580
234 HB3 TYR 31 3HB TYR 31 32.098 20.222 26.293
235 HD1 TYR 31 HD1 TYR 31 29.997 19.887 27.638
236 HD2 TYR 31 HD2 TYR 31 30.457 18.367 23.632
237 HE1 TYR 31 HE1 TYR 31 28.099 18.313 28.023
238 HE2 TYR 31 HE2 TYR 31 28.560 16.782 24.021
239 HH TYR 31 HH TYR 31 26.774 16.703 27.129
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 13.856 28.089 26.363
2 H2 ALA 1 H2 ALA 1 12.866 26.794 26.144
3 H3 ALA 1 H3 ALA 1 13.672 27.434 24.867
4 HA ALA 1 HA ALA 1 15.768 26.785 25.702
5 HB1 ALA 1 3HB ALA 1 15.288 27.041 28.091
6 HB2 ALA 1 1HB ALA 1 14.228 25.612 28.056
7 HB3 ALA 1 2HB ALA 1 15.969 25.449 27.737
8 H PHE 2 H PHE 2 12.948 24.518 26.218
9 HA PHE 2 HA PHE 2 14.388 22.342 24.954
10 HB2 PHE 2 2HB PHE 2 12.720 22.068 26.780
11 HB3 PHE 2 3HB PHE 2 11.446 22.577 25.675
12 HD1 PHE 2 HD2 PHE 2 14.088 19.969 26.237
13 HD2 PHE 2 HD1 PHE 2 10.439 20.986 24.186
14 HE1 PHE 2 HE2 PHE 2 13.914 17.646 25.387
15 HE2 PHE 2 HE1 PHE 2 10.277 18.662 23.325
16 HZ PHE 2 HZ PHE 2 12.014 16.986 23.926
17 H CYS 3 H CYS 3 13.682 21.155 23.018
18 HA CYS 3 HA CYS 3 12.237 22.665 20.980
19 HB2 CYS 3 2HB CYS 3 15.055 22.906 21.203
20 HB3 CYS 3 3HB CYS 3 14.677 22.036 19.715
21 H ASN 4 H ASN 4 11.660 21.482 19.115
22 HA ASN 4 HA ASN 4 12.293 18.573 18.978
23 HB2 ASN 4 2HB ASN 4 11.130 20.518 16.939
24 HB3 ASN 4 3HB ASN 4 11.436 18.820 16.628
25 HD21 ASN 4 2HD2 ASN 4 8.928 20.259 16.504
26 HD22 ASN 4 1HD2 ASN 4 7.837 19.416 17.589
27 H LEU 5 H LEU 5 14.512 18.803 19.449
28 HA LEU 5 HA LEU 5 16.113 20.885 18.377
29 HB2 LEU 5 2HB LEU 5 16.689 18.323 19.908
30 HB3 LEU 5 3HB LEU 5 17.969 19.445 19.480
31 HG LEU 5 HG LEU 5 15.524 20.437 20.972
32 HD11 LEU 5 1HD1 LEU 5 16.796 20.152 23.054
33 HD12 LEU 5 2HD1 LEU 5 16.450 18.596 22.290
34 HD13 LEU 5 3HD1 LEU 5 18.075 19.300 22.159
35 HD21 LEU 5 3HD2 LEU 5 17.149 22.157 21.739
36 HD22 LEU 5 1HD2 LEU 5 18.431 21.355 20.819
37 HD23 LEU 5 2HD2 LEU 5 17.093 22.136 19.965
38 H ARG 6 H ARG 6 15.749 17.604 17.290
39 HA ARG 6 HA ARG 6 17.617 16.871 15.599
40 HB2 ARG 6 2HB ARG 6 15.904 16.089 13.972
41 HB3 ARG 6 3HB ARG 6 15.573 15.696 15.649
42 HG2 ARG 6 2HG ARG 6 13.842 17.381 15.822
43 HG3 ARG 6 3HG ARG 6 14.247 18.044 14.237
44 HD2 ARG 6 2HD ARG 6 13.598 15.847 13.196
45 HD3 ARG 6 3HD ARG 6 13.106 15.296 14.785
46 HE ARG 6 HE ARG 6 11.133 16.467 14.545
47 HH11 ARG 6 1HH1 ARG 6 13.307 17.810 12.089
48 HH12 ARG 6 2HH1 ARG 6 12.023 18.804 11.436
49 HH21 ARG 6 1HH2 ARG 6 9.662 17.790 13.694
50 HH22 ARG 6 2HH2 ARG 6 10.064 18.937 12.423
51 H ARG 7 H ARG 7 15.462 19.464 14.436
52 HA ARG 7 HA ARG 7 16.771 19.850 11.937
53 HB2 ARG 7 2HB ARG 7 15.496 22.043 11.926
54 HB3 ARG 7 3HB ARG 7 14.701 20.480 11.902
55 HG2 ARG 7 2HG ARG 7 13.418 21.964 13.203
56 HG3 ARG 7 3HG ARG 7 14.005 20.673 14.222
57 HD2 ARG 7 2HD ARG 7 15.144 22.134 15.591
58 HD3 ARG 7 3HD ARG 7 15.830 22.993 14.212
59 HE ARG 7 HE ARG 7 14.036 24.395 14.041
60 HH11 ARG 7 1HH2 ARG 7 13.220 22.086 16.549
61 HH12 ARG 7 2HH2 ARG 7 11.986 23.135 17.243
62 HH21 ARG 7 1HH1 ARG 7 12.394 25.627 14.926
63 HH22 ARG 7 2HH1 ARG 7 11.386 24.973 16.174
64 H CYS 8 H CYS 8 17.553 21.072 14.944
65 HA CYS 8 HA CYS 8 19.647 22.957 13.967
66 HB2 CYS 8 2HB CYS 8 18.000 23.530 15.796
67 HB3 CYS 8 3HB CYS 8 18.767 22.308 16.802
68 H GLU 9 H GLU 9 19.414 20.090 16.162
69 HA GLU 9 HA GLU 9 22.136 19.607 16.655
70 HB2 GLU 9 2HB GLU 9 19.715 17.794 16.377
71 HB3 GLU 9 3HB GLU 9 21.280 17.150 16.851
72 HG2 GLU 9 2HG GLU 9 20.155 19.493 18.406
73 HG3 GLU 9 3HG GLU 9 19.481 17.879 18.641
74 H LEU 10 H LEU 10 20.216 18.263 13.925
75 HA LEU 10 HA LEU 10 22.483 16.652 13.034
76 HB2 LEU 10 2HB LEU 10 19.695 16.977 11.865
77 HB3 LEU 10 3HB LEU 10 20.869 15.760 11.394
78 HG LEU 10 HG LEU 10 19.622 15.988 14.173
79 HD11 LEU 10 1HD1 LEU 10 18.018 15.279 12.447
80 HD12 LEU 10 2HD1 LEU 10 19.124 13.983 11.933
81 HD13 LEU 10 3HD1 LEU 10 18.408 13.964 13.567
82 HD21 LEU 10 3HD2 LEU 10 20.596 13.732 14.528
83 HD22 LEU 10 1HD2 LEU 10 21.451 13.854 12.974
84 HD23 LEU 10 2HD2 LEU 10 21.842 14.956 14.318
85 H SER 11 H SER 11 22.574 19.627 12.839
86 HA SER 11 HA SER 11 24.017 19.590 10.251
87 HB2 SER 11 2HB SER 11 21.869 20.926 10.102
88 HB3 SER 11 3HB SER 11 22.578 22.038 11.306
89 HG SER 11 HG SER 11 23.444 22.931 9.620
90 H CYS 12 H CYS 12 24.272 19.751 13.553
91 HA CYS 12 HA CYS 12 26.743 21.454 13.488
92 HB2 CYS 12 2HB CYS 12 24.619 21.090 15.619
93 HB3 CYS 12 3HB CYS 12 26.193 21.827 15.929
94 H ARG 13 H ARG 13 25.368 18.335 14.579
95 HA ARG 13 HA ARG 13 27.655 17.590 16.151
96 HB2 ARG 13 2HB ARG 13 25.372 16.031 14.917
97 HB3 ARG 13 3HB ARG 13 26.660 15.238 15.842
98 HG2 ARG 13 2HG ARG 13 26.206 16.690 17.780
99 HG3 ARG 13 3HG ARG 13 24.915 17.523 16.900
100 HD2 ARG 13 2HD ARG 13 23.641 15.450 16.727
101 HD3 ARG 13 3HD ARG 13 24.943 14.529 17.484
102 HE ARG 13 HE ARG 13 23.325 16.674 18.835
103 HH11 ARG 13 1HH1 ARG 13 25.629 14.083 19.354
104 HH12 ARG 13 2HH1 ARG 13 25.140 13.964 21.036
105 HH21 ARG 13 1HH2 ARG 13 22.565 16.175 20.815
106 HH22 ARG 13 2HH2 ARG 13 23.314 14.881 21.748
107 H SER 14 H SER 14 27.220 17.378 12.676
108 HA SER 14 HA SER 14 29.455 15.691 12.081
109 HB2 SER 14 2HB SER 14 29.425 16.918 9.883
110 HB3 SER 14 3HB SER 14 27.898 16.178 10.368
111 HG SER 14 HG SER 14 27.072 18.028 10.123
112 H LEU 15 H LEU 15 29.295 19.235 12.577
113 HA LEU 15 HA LEU 15 32.133 19.697 12.155
114 HB2 LEU 15 2HB LEU 15 30.011 21.307 13.623
115 HB3 LEU 15 3HB LEU 15 31.611 21.905 13.233
116 HG LEU 15 HG LEU 15 29.570 21.080 11.135
117 HD11 LEU 15 1HD1 LEU 15 30.255 23.844 12.237
118 HD12 LEU 15 2HD1 LEU 15 29.206 23.496 10.844
119 HD13 LEU 15 3HD1 LEU 15 28.720 22.965 12.455
120 HD21 LEU 15 3HD2 LEU 15 32.128 22.757 10.960
121 HD22 LEU 15 1HD2 LEU 15 31.941 21.088 10.374
122 HD23 LEU 15 2HD2 LEU 15 31.012 22.387 9.627
123 H GLY 16 H GLY 16 30.321 18.555 14.867
124 HA2 GLY 16 3HA GLY 16 31.299 17.657 16.867
125 HA3 GLY 16 3HA GLY 16 32.657 18.768 16.722
126 H LEU 17 H LEU 17 29.406 20.076 16.241
127 HA LEU 17 HA LEU 17 29.507 21.295 18.966
128 HB2 LEU 17 2HB LEU 17 27.633 22.738 17.493
129 HB3 LEU 17 3HB LEU 17 29.159 23.278 18.143
130 HG LEU 17 HG LEU 17 28.897 22.110 15.360
131 HD11 LEU 17 1HD1 LEU 17 27.473 24.059 15.470
132 HD12 LEU 17 2HD1 LEU 17 28.758 24.997 16.261
133 HD13 LEU 17 3HD1 LEU 17 28.942 24.462 14.577
134 HD21 LEU 17 3HD2 LEU 17 31.001 23.271 14.928
135 HD22 LEU 17 1HD2 LEU 17 30.982 23.977 16.555
136 HD23 LEU 17 2HD2 LEU 17 31.234 22.243 16.362
137 H LEU 18 H LEU 18 27.344 21.692 19.941
138 HA LEU 18 HA LEU 18 25.329 19.554 19.262
139 HB2 LEU 18 2HB LEU 18 25.631 21.161 21.832
140 HB3 LEU 18 3HB LEU 18 24.361 19.996 21.488
141 HG LEU 18 HG LEU 18 27.315 19.409 21.787
142 HD11 LEU 18 1HD1 LEU 18 26.112 19.892 23.888
143 HD12 LEU 18 2HD1 LEU 18 24.920 18.626 23.504
144 HD13 LEU 18 3HD1 LEU 18 26.619 18.200 23.800
145 HD21 LEU 18 3HD2 LEU 18 25.004 17.518 21.212
146 HD22 LEU 18 1HD2 LEU 18 26.404 17.826 20.158
147 HD23 LEU 18 2HD2 LEU 18 26.639 17.005 21.699
148 H GLY 19 H GLY 19 23.210 20.118 19.182
149 HA2 GLY 19 3HA GLY 19 22.571 22.954 18.431
150 HA3 GLY 19 3HA GLY 19 21.601 21.544 18.025
151 H LYS 20 H LYS 20 21.268 24.183 19.603
152 HA LYS 20 HA LYS 20 19.523 23.203 21.801
153 HB2 LYS 20 2HB LYS 20 21.642 25.381 22.088
154 HB3 LYS 20 3HB LYS 20 20.457 24.948 23.314
155 HG2 LYS 20 2HG LYS 20 22.716 23.154 22.324
156 HG3 LYS 20 3HG LYS 20 22.699 24.081 23.817
157 HD2 LYS 20 2HD LYS 20 20.829 22.765 24.692
158 HD3 LYS 20 3HD LYS 20 20.710 21.864 23.178
159 HE2 LYS 20 2HE LYS 20 23.087 21.086 23.517
160 HE3 LYS 20 3HE LYS 20 23.073 21.869 25.107
161 HZ1 LYS 20 3HZ LYS 20 21.214 20.398 25.720
162 HZ2 LYS 20 1HZ LYS 20 21.256 19.676 24.234
163 HZ3 LYS 20 2HZ LYS 20 22.493 19.490 25.272
164 H CYS 21 H CYS 21 18.241 25.242 22.677
165 HA CYS 21 HA CYS 21 17.659 27.205 20.506
166 HB2 CYS 21 2HB CYS 21 15.657 25.377 21.876
167 HB3 CYS 21 3HB CYS 21 15.202 26.840 21.019
168 H ILE 22 H ILE 22 16.947 29.224 21.194
169 HA ILE 22 HA ILE 22 16.567 29.599 24.137
170 HB ILE 22 HB ILE 22 16.406 31.701 21.980
171 HG12 ILE 22 2HG1 ILE 22 18.693 30.893 22.112
172 HG13 ILE 22 3HG1 ILE 22 18.569 32.500 22.799
173 HG21 ILE 22 1HG2 ILE 22 16.554 33.285 23.890
174 HG22 ILE 22 2HG2 ILE 22 15.063 32.342 23.881
175 HG23 ILE 22 3HG2 ILE 22 16.366 31.918 25.008
176 HD11 ILE 22 3HD1 ILE 22 20.082 31.106 24.108
177 HD12 ILE 22 1HD1 ILE 22 18.673 31.522 25.095
178 HD13 ILE 22 2HD1 ILE 22 18.820 29.896 24.373
179 H GLY 23 H GLY 23 14.663 30.152 21.191
180 HA2 GLY 23 3HA GLY 23 12.291 28.934 22.605
181 HA3 GLY 23 3HA GLY 23 12.131 30.214 21.397
182 H GLU 24 H GLU 24 13.503 29.703 19.387
183 HA GLU 24 HA GLU 24 13.507 26.915 18.411
184 HB2 GLU 24 2HB GLU 24 11.419 28.906 17.430
185 HB3 GLU 24 3HB GLU 24 11.979 27.569 16.431
186 HG2 GLU 24 2HG GLU 24 11.367 25.983 18.290
187 HG3 GLU 24 3HG GLU 24 10.580 27.340 19.108
188 H GLU 25 H GLU 25 14.747 30.028 18.244
189 HA GLU 25 HA GLU 25 15.446 30.187 15.468
190 HB2 GLU 25 2HB GLU 25 16.248 32.346 16.018
191 HB3 GLU 25 3HB GLU 25 14.810 32.086 17.001
192 HG2 GLU 25 2HG GLU 25 17.707 32.170 17.856
193 HG3 GLU 25 3HG GLU 25 16.382 33.134 18.423
194 H CYS 26 H CYS 26 16.517 28.013 17.078
195 HA CYS 26 HA CYS 26 18.347 26.828 17.661
196 HB2 CYS 26 2HB CYS 26 17.718 26.102 15.480
197 HB3 CYS 26 3HB CYS 26 18.512 27.459 14.710
198 H LYS 27 H LYS 27 19.979 27.020 18.851
199 HA LYS 27 HA LYS 27 22.325 28.757 18.170
200 HB2 LYS 27 2HB LYS 27 21.478 27.555 20.847
201 HB3 LYS 27 3HB LYS 27 22.919 28.531 20.579
202 HG2 LYS 27 2HG LYS 27 20.056 29.550 20.247
203 HG3 LYS 27 3HG LYS 27 21.016 29.705 21.713
204 HD2 LYS 27 2HD LYS 27 22.713 31.023 20.518
205 HD3 LYS 27 3HD LYS 27 21.792 30.903 19.015
206 HE2 LYS 27 2HE LYS 27 20.757 32.159 21.608
207 HE3 LYS 27 3HE LYS 27 21.520 33.068 20.313
208 HZ1 LYS 27 3HZ LYS 27 19.762 32.329 18.808
209 HZ2 LYS 27 1HZ LYS 27 19.002 31.493 19.999
210 HZ3 LYS 27 2HZ LYS 27 19.102 33.119 20.103
211 H CYS 28 H CYS 28 24.376 27.699 18.169
212 HA CYS 28 HA CYS 28 24.373 24.911 19.015
213 HB2 CYS 28 2HB CYS 28 25.729 25.708 16.429
214 HB3 CYS 28 3HB CYS 28 25.989 24.217 17.330
215 H VAL 29 H VAL 29 26.308 24.137 19.781
216 HA VAL 29 HA VAL 29 28.192 26.230 20.736
217 HB VAL 29 HB VAL 29 27.643 25.534 23.069
218 HG11 VAL 29 1HG1 VAL 29 25.735 26.945 23.351
219 HG12 VAL 29 2HG1 VAL 29 26.748 27.631 22.067
220 HG13 VAL 29 3HG1 VAL 29 25.251 26.758 21.660
221 HG21 VAL 29 3HG2 VAL 29 25.483 24.499 23.569
222 HG22 VAL 29 1HG2 VAL 29 25.170 24.230 21.849
223 HG23 VAL 29 2HG2 VAL 29 26.510 23.386 22.660
224 HA PRO 30 HA PRO 30 31.100 22.863 20.962
225 HB2 PRO 30 2HB PRO 30 32.252 24.187 23.392
226 HB3 PRO 30 3HB PRO 30 33.074 23.691 21.884
227 HG2 PRO 30 2HG PRO 30 32.519 26.305 22.392
228 HG3 PRO 30 3HG PRO 30 32.300 25.636 20.745
229 HD2 PRO 30 2HD PRO 30 30.197 26.082 22.880
230 HD3 PRO 30 3HD PRO 30 30.168 26.502 21.138
231 H TYR 31 H TYR 31 31.740 21.018 22.228
232 HA TYR 31 HA TYR 31 30.915 20.753 24.994
233 HB2 TYR 31 2HB TYR 31 29.566 18.884 24.871
234 HB3 TYR 31 3HB TYR 31 28.906 19.974 23.681
235 HD1 TYR 31 HD1 TYR 31 29.748 19.544 21.151
236 HD2 TYR 31 HD2 TYR 31 29.845 16.645 24.343
237 HE1 TYR 31 HE1 TYR 31 29.605 17.701 19.480
238 HE2 TYR 31 HE2 TYR 31 29.737 14.802 22.674
239 HH TYR 31 HH TYR 31 29.464 15.410 19.158
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 11.367 24.220 27.537
2 H2 ALA 1 H2 ALA 1 10.430 25.553 27.777
3 H3 ALA 1 H3 ALA 1 11.823 25.648 26.887
4 HA ALA 1 HA ALA 1 9.374 24.183 26.178
5 HB1 ALA 1 3HB ALA 1 10.689 26.494 24.684
6 HB2 ALA 1 1HB ALA 1 9.106 25.764 24.377
7 HB3 ALA 1 2HB ALA 1 9.358 26.716 25.850
8 H PHE 2 H PHE 2 9.408 23.225 24.066
9 HA PHE 2 HA PHE 2 11.792 21.673 23.504
10 HB2 PHE 2 2HB PHE 2 9.350 20.994 23.341
11 HB3 PHE 2 3HB PHE 2 9.216 21.974 21.901
12 HD1 PHE 2 HD1 PHE 2 11.504 19.314 23.311
13 HD2 PHE 2 HD2 PHE 2 9.343 20.774 19.875
14 HE1 PHE 2 HE1 PHE 2 12.272 17.377 21.985
15 HE2 PHE 2 HE2 PHE 2 10.082 18.792 18.599
16 HZ PHE 2 HZ PHE 2 11.567 17.087 19.624
17 H CYS 3 H CYS 3 12.347 21.404 20.992
18 HA CYS 3 HA CYS 3 12.633 23.959 19.588
19 HB2 CYS 3 2HB CYS 3 14.487 24.086 21.035
20 HB3 CYS 3 3HB CYS 3 15.034 22.474 20.620
21 H ASN 4 H ASN 4 13.474 23.726 17.353
22 HA ASN 4 HA ASN 4 12.556 21.318 15.991
23 HB2 ASN 4 2HB ASN 4 13.328 22.385 13.960
24 HB3 ASN 4 3HB ASN 4 12.242 23.421 14.850
25 HD21 ASN 4 2HD2 ASN 4 14.234 24.117 12.745
26 HD22 ASN 4 1HD2 ASN 4 15.263 25.304 13.538
27 H LEU 5 H LEU 5 14.244 20.485 17.821
28 HA LEU 5 HA LEU 5 17.016 20.238 17.426
29 HB2 LEU 5 2HB LEU 5 14.984 18.338 18.652
30 HB3 LEU 5 3HB LEU 5 16.723 18.301 18.942
31 HG LEU 5 HG LEU 5 14.895 20.644 19.680
32 HD11 LEU 5 1HD1 LEU 5 16.119 18.506 21.450
33 HD12 LEU 5 2HD1 LEU 5 15.147 19.893 21.987
34 HD13 LEU 5 3HD1 LEU 5 14.407 18.621 20.998
35 HD21 LEU 5 3HD2 LEU 5 16.896 21.320 21.072
36 HD22 LEU 5 1HD2 LEU 5 17.816 20.010 20.325
37 HD23 LEU 5 2HD2 LEU 5 17.235 21.367 19.339
38 H ARG 6 H ARG 6 14.337 18.285 16.089
39 HA ARG 6 HA ARG 6 15.928 16.326 14.714
40 HB2 ARG 6 2HB ARG 6 13.187 17.425 13.934
41 HB3 ARG 6 3HB ARG 6 13.904 15.917 13.364
42 HG2 ARG 6 2HG ARG 6 12.990 16.500 16.199
43 HG3 ARG 6 3HG ARG 6 12.204 15.482 15.023
44 HD2 ARG 6 2HD ARG 6 14.159 13.936 15.068
45 HD3 ARG 6 3HD ARG 6 14.906 14.982 16.296
46 HE ARG 6 HE ARG 6 12.190 13.904 16.847
47 HH11 ARG 6 1HH1 ARG 6 15.574 13.857 17.863
48 HH12 ARG 6 2HH1 ARG 6 15.208 12.748 19.167
49 HH21 ARG 6 1HH2 ARG 6 11.849 12.582 18.437
50 HH22 ARG 6 2HH2 ARG 6 13.157 11.988 19.445
51 H ARG 7 H ARG 7 15.714 19.672 13.905
52 HA ARG 7 HA ARG 7 17.291 19.026 11.433
53 HB2 ARG 7 2HB ARG 7 15.499 21.436 11.883
54 HB3 ARG 7 3HB ARG 7 16.536 21.184 10.467
55 HG2 ARG 7 2HG ARG 7 14.171 19.416 11.263
56 HG3 ARG 7 3HG ARG 7 14.151 20.662 10.032
57 HD2 ARG 7 2HD ARG 7 15.751 19.466 8.657
58 HD3 ARG 7 3HD ARG 7 16.022 18.261 9.909
59 HE ARG 7 HE ARG 7 13.590 18.555 8.208
60 HH11 ARG 7 1HH1 ARG 7 15.240 16.528 10.620
61 HH12 ARG 7 2HH1 ARG 7 14.306 15.144 10.108
62 HH21 ARG 7 1HH2 ARG 7 12.163 17.021 8.190
63 HH22 ARG 7 2HH2 ARG 7 12.479 15.435 8.886
64 H CYS 8 H CYS 8 17.017 21.064 14.257
65 HA CYS 8 HA CYS 8 19.272 22.722 13.822
66 HB2 CYS 8 2HB CYS 8 17.378 23.093 15.408
67 HB3 CYS 8 3HB CYS 8 18.006 21.814 16.422
68 H GLU 9 H GLU 9 19.073 19.603 15.734
69 HA GLU 9 HA GLU 9 21.864 19.640 16.443
70 HB2 GLU 9 2HB GLU 9 19.935 17.289 16.246
71 HB3 GLU 9 3HB GLU 9 21.552 17.250 16.973
72 HG2 GLU 9 2HG GLU 9 20.776 19.077 18.570
73 HG3 GLU 9 3HG GLU 9 19.142 18.819 17.979
74 H LEU 10 H LEU 10 20.141 18.391 13.609
75 HA LEU 10 HA LEU 10 22.346 16.908 12.474
76 HB2 LEU 10 2HB LEU 10 19.968 18.166 11.038
77 HB3 LEU 10 3HB LEU 10 21.002 16.880 10.442
78 HG LEU 10 HG LEU 10 18.974 16.707 12.702
79 HD11 LEU 10 1HD1 LEU 10 19.168 15.291 10.002
80 HD12 LEU 10 2HD1 LEU 10 17.868 15.120 11.202
81 HD13 LEU 10 3HD1 LEU 10 18.104 16.663 10.370
82 HD21 LEU 10 3HD2 LEU 10 19.527 14.288 12.792
83 HD22 LEU 10 1HD2 LEU 10 20.900 14.561 11.691
84 HD23 LEU 10 2HD2 LEU 10 20.878 15.299 13.312
85 H SER 11 H SER 11 21.867 20.257 12.781
86 HA SER 11 HA SER 11 23.592 20.942 10.464
87 HB2 SER 11 2HB SER 11 22.777 23.084 10.614
88 HB3 SER 11 3HB SER 11 21.388 22.039 10.990
89 HG SER 11 HG SER 11 21.922 22.492 13.279
90 H CYS 12 H CYS 12 23.936 20.214 13.656
91 HA CYS 12 HA CYS 12 26.418 21.872 14.003
92 HB2 CYS 12 2HB CYS 12 24.249 21.139 16.018
93 HB3 CYS 12 3HB CYS 12 25.753 21.996 16.388
94 H ARG 13 H ARG 13 24.999 18.629 14.804
95 HA ARG 13 HA ARG 13 27.244 17.690 16.293
96 HB2 ARG 13 2HB ARG 13 25.187 16.207 14.584
97 HB3 ARG 13 3HB ARG 13 26.390 15.410 15.578
98 HG2 ARG 13 2HG ARG 13 25.515 16.712 17.583
99 HG3 ARG 13 3HG ARG 13 24.160 17.213 16.564
100 HD2 ARG 13 2HD ARG 13 24.917 14.383 17.404
101 HD3 ARG 13 3HD ARG 13 23.519 15.324 17.931
102 HE ARG 13 HE ARG 13 23.796 14.612 15.040
103 HH11 ARG 13 1HH1 ARG 13 21.956 13.993 18.007
104 HH12 ARG 13 2HH1 ARG 13 20.793 13.056 17.098
105 HH21 ARG 13 1HH2 ARG 13 22.328 13.492 14.077
106 HH22 ARG 13 2HH2 ARG 13 20.938 12.813 14.928
107 H SER 14 H SER 14 26.895 17.990 12.818
108 HA SER 14 HA SER 14 28.949 16.404 11.794
109 HB2 SER 14 2HB SER 14 28.995 18.129 9.960
110 HB3 SER 14 3HB SER 14 27.380 17.537 10.379
111 HG SER 14 HG SER 14 27.316 19.762 10.179
112 H LEU 15 H LEU 15 29.342 19.464 13.524
113 HA LEU 15 HA LEU 15 32.301 19.425 12.999
114 HB2 LEU 15 2HB LEU 15 30.450 21.725 13.689
115 HB3 LEU 15 3HB LEU 15 32.200 21.858 13.484
116 HG LEU 15 HG LEU 15 30.154 21.214 11.348
117 HD11 LEU 15 1HD1 LEU 15 30.309 23.578 12.093
118 HD12 LEU 15 2HD1 LEU 15 32.038 23.582 11.719
119 HD13 LEU 15 3HD1 LEU 15 30.849 23.369 10.416
120 HD21 LEU 15 3HD2 LEU 15 33.191 21.395 11.121
121 HD22 LEU 15 1HD2 LEU 15 32.185 19.964 10.806
122 HD23 LEU 15 2HD2 LEU 15 32.060 21.368 9.750
123 H GLY 16 H GLY 16 30.464 18.224 15.327
124 HA2 GLY 16 3HA GLY 16 30.754 17.877 17.585
125 HA3 GLY 16 3HA GLY 16 32.365 18.602 17.467
126 H LEU 17 H LEU 17 29.239 20.147 16.685
127 HA LEU 17 HA LEU 17 29.402 21.779 19.159
128 HB2 LEU 17 2HB LEU 17 27.513 22.974 17.449
129 HB3 LEU 17 3HB LEU 17 28.957 23.667 18.128
130 HG LEU 17 HG LEU 17 28.938 22.184 15.473
131 HD11 LEU 17 1HD1 LEU 17 28.628 25.155 16.034
132 HD12 LEU 17 2HD1 LEU 17 28.861 24.410 14.438
133 HD13 LEU 17 3HD1 LEU 17 27.388 24.075 15.351
134 HD21 LEU 17 3HD2 LEU 17 30.864 24.240 16.624
135 HD22 LEU 17 1HD2 LEU 17 31.173 22.498 16.544
136 HD23 LEU 17 2HD2 LEU 17 30.997 23.423 15.041
137 H LEU 18 H LEU 18 27.540 21.874 20.428
138 HA LEU 18 HA LEU 18 25.496 19.775 19.849
139 HB2 LEU 18 2HB LEU 18 26.248 21.224 22.406
140 HB3 LEU 18 3HB LEU 18 24.815 20.205 22.253
141 HG LEU 18 HG LEU 18 27.667 19.224 21.822
142 HD11 LEU 18 1HD1 LEU 18 27.337 18.100 24.006
143 HD12 LEU 18 2HD1 LEU 18 27.266 19.860 24.152
144 HD13 LEU 18 3HD1 LEU 18 25.764 18.900 24.185
145 HD21 LEU 18 3HD2 LEU 18 26.660 16.965 22.013
146 HD22 LEU 18 1HD2 LEU 18 25.041 17.686 22.071
147 HD23 LEU 18 2HD2 LEU 18 26.047 17.817 20.600
148 H GLY 19 H GLY 19 23.399 20.166 19.842
149 HA2 GLY 19 3HA GLY 19 22.522 22.883 19.023
150 HA3 GLY 19 3HA GLY 19 21.576 21.398 18.944
151 H LYS 20 H LYS 20 22.320 24.233 20.702
152 HA LYS 20 HA LYS 20 20.601 23.488 23.067
153 HB2 LYS 20 2HB LYS 20 23.222 25.051 22.979
154 HB3 LYS 20 3HB LYS 20 22.156 24.976 24.376
155 HG2 LYS 20 2HG LYS 20 22.492 22.585 24.600
156 HG3 LYS 20 3HG LYS 20 23.405 22.498 23.092
157 HD2 LYS 20 2HD LYS 20 25.190 23.812 24.000
158 HD3 LYS 20 3HD LYS 20 24.280 24.156 25.502
159 HE2 LYS 20 2HE LYS 20 24.292 21.764 26.093
160 HE3 LYS 20 3HE LYS 20 25.121 21.356 24.577
161 HZ1 LYS 20 3HZ LYS 20 26.687 21.503 26.433
162 HZ2 LYS 20 1HZ LYS 20 27.032 22.628 25.315
163 HZ3 LYS 20 2HZ LYS 20 26.291 23.067 26.712
164 H CYS 21 H CYS 21 18.779 24.399 22.137
165 HA CYS 21 HA CYS 21 18.868 26.892 20.664
166 HB2 CYS 21 2HB CYS 21 16.423 25.406 21.713
167 HB3 CYS 21 3HB CYS 21 16.513 26.525 20.350
168 H ILE 22 H ILE 22 17.393 28.721 21.092
169 HA ILE 22 HA ILE 22 17.649 29.547 23.994
170 HB ILE 22 HB ILE 22 18.165 31.744 23.292
171 HG12 ILE 22 2HG1 ILE 22 18.537 30.754 20.432
172 HG13 ILE 22 3HG1 ILE 22 17.038 31.524 20.965
173 HG21 ILE 22 1HG2 ILE 22 20.053 29.655 22.131
174 HG22 ILE 22 2HG2 ILE 22 20.483 31.281 22.696
175 HG23 ILE 22 3HG2 ILE 22 19.891 30.084 23.843
176 HD11 ILE 22 3HD1 ILE 22 18.460 33.233 20.037
177 HD12 ILE 22 1HD1 ILE 22 18.339 33.461 21.796
178 HD13 ILE 22 2HD1 ILE 22 19.811 32.748 21.095
179 H GLY 23 H GLY 23 15.143 28.492 22.624
180 HA2 GLY 23 3HA GLY 23 12.908 28.810 23.134
181 HA3 GLY 23 3HA GLY 23 13.323 30.308 23.939
182 H GLU 24 H GLU 24 14.605 31.430 21.485
183 HA GLU 24 HA GLU 24 12.182 31.828 19.716
184 HB2 GLU 24 2HB GLU 24 12.873 34.077 19.349
185 HB3 GLU 24 3HB GLU 24 12.811 33.786 21.091
186 HG2 GLU 24 2HG GLU 24 15.345 33.471 21.010
187 HG3 GLU 24 3HG GLU 24 15.295 34.020 19.356
188 H GLU 25 H GLU 25 15.316 30.494 19.657
189 HA GLU 25 HA GLU 25 15.380 30.244 16.748
190 HB2 GLU 25 2HB GLU 25 17.430 31.804 18.348
191 HB3 GLU 25 3HB GLU 25 17.907 30.967 16.858
192 HG2 GLU 25 2HG GLU 25 15.812 33.168 16.970
193 HG3 GLU 25 3HG GLU 25 17.441 33.371 16.597
194 H CYS 26 H CYS 26 16.745 28.609 15.997
195 HA CYS 26 HA CYS 26 17.869 26.593 17.837
196 HB2 CYS 26 2HB CYS 26 17.087 25.785 15.722
197 HB3 CYS 26 3HB CYS 26 17.881 27.098 14.852
198 H LYS 27 H LYS 27 19.918 26.601 18.598
199 HA LYS 27 HA LYS 27 22.015 28.396 17.542
200 HB2 LYS 27 2HB LYS 27 20.394 29.240 19.699
201 HB3 LYS 27 3HB LYS 27 21.766 28.544 20.492
202 HG2 LYS 27 2HG LYS 27 22.255 30.854 20.235
203 HG3 LYS 27 3HG LYS 27 23.252 29.984 19.044
204 HD2 LYS 27 2HD LYS 27 21.299 30.528 17.366
205 HD3 LYS 27 3HD LYS 27 20.757 31.663 18.588
206 HE2 LYS 27 2HE LYS 27 23.127 32.654 18.518
207 HE3 LYS 27 3HE LYS 27 23.440 31.582 17.147
208 HZ1 LYS 27 3HZ LYS 27 21.501 33.813 17.277
209 HZ2 LYS 27 1HZ LYS 27 22.798 33.633 16.254
210 HZ3 LYS 27 2HZ LYS 27 21.459 32.708 16.058
211 H CYS 28 H CYS 28 24.185 27.742 18.268
212 HA CYS 28 HA CYS 28 24.352 25.149 19.630
213 HB2 CYS 28 2HB CYS 28 25.441 25.533 16.819
214 HB3 CYS 28 3HB CYS 28 25.656 24.129 17.850
215 H VAL 29 H VAL 29 26.351 24.603 20.360
216 HA VAL 29 HA VAL 29 28.697 26.294 19.835
217 HB VAL 29 HB VAL 29 28.983 26.585 22.361
218 HG11 VAL 29 1HG1 VAL 29 26.818 28.298 21.129
219 HG12 VAL 29 2HG1 VAL 29 27.937 28.717 22.432
220 HG13 VAL 29 3HG1 VAL 29 28.558 28.462 20.794
221 HG21 VAL 29 3HG2 VAL 29 27.036 26.804 23.760
222 HG22 VAL 29 1HG2 VAL 29 25.953 26.360 22.432
223 HG23 VAL 29 2HG2 VAL 29 27.079 25.161 23.104
224 HA PRO 30 HA PRO 30 30.728 22.425 20.644
225 HB2 PRO 30 2HB PRO 30 33.278 23.181 21.189
226 HB3 PRO 30 3HB PRO 30 32.528 23.382 19.577
227 HG2 PRO 30 2HG PRO 30 32.769 25.451 21.776
228 HG3 PRO 30 3HG PRO 30 33.223 25.619 20.048
229 HD2 PRO 30 2HD PRO 30 30.839 26.500 20.989
230 HD3 PRO 30 3HD PRO 30 30.968 25.744 19.376
231 H TYR 31 H TYR 31 31.920 21.151 22.278
232 HA TYR 31 HA TYR 31 30.569 21.227 24.751
233 HB2 TYR 31 2HB TYR 31 33.132 19.684 24.455
234 HB3 TYR 31 3HB TYR 31 31.641 19.231 25.252
235 HD1 TYR 31 HD1 TYR 31 33.463 19.457 22.083
236 HD2 TYR 31 HD2 TYR 31 29.802 18.166 23.932
237 HE1 TYR 31 HE1 TYR 31 32.952 18.062 20.077
238 HE2 TYR 31 HE2 TYR 31 29.275 16.776 21.915
239 HH TYR 31 HH TYR 31 29.967 16.119 19.780
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 9.196 29.259 20.477
2 H2 ALA 1 H2 ALA 1 7.949 29.909 21.331
3 H3 ALA 1 H3 ALA 1 7.649 28.862 20.087
4 HA ALA 1 HA ALA 1 8.996 28.248 22.618
5 HB1 ALA 1 3HB ALA 1 7.055 26.812 23.114
6 HB2 ALA 1 1HB ALA 1 6.595 28.516 22.952
7 HB3 ALA 1 2HB ALA 1 6.260 27.378 21.627
8 H PHE 2 H PHE 2 10.370 26.614 22.571
9 HA PHE 2 HA PHE 2 11.590 24.848 21.971
10 HB2 PHE 2 2HB PHE 2 9.381 23.729 22.323
11 HB3 PHE 2 3HB PHE 2 9.140 23.743 20.587
12 HD1 PHE 2 HD2 PHE 2 11.490 22.558 23.262
13 HD2 PHE 2 HD1 PHE 2 9.982 21.928 19.273
14 HE1 PHE 2 HE2 PHE 2 12.723 20.405 23.127
15 HE2 PHE 2 HE1 PHE 2 11.231 19.789 19.136
16 HZ PHE 2 HZ PHE 2 12.611 19.026 21.069
17 H CYS 3 H CYS 3 12.526 23.449 20.090
18 HA CYS 3 HA CYS 3 13.022 25.293 17.801
19 HB2 CYS 3 2HB CYS 3 14.940 24.029 19.683
20 HB3 CYS 3 3HB CYS 3 15.399 24.596 18.072
21 H ASN 4 H ASN 4 14.118 24.406 15.936
22 HA ASN 4 HA ASN 4 12.926 21.891 15.064
23 HB2 ASN 4 2HB ASN 4 13.892 22.332 12.922
24 HB3 ASN 4 3HB ASN 4 13.133 23.788 13.518
25 HD21 ASN 4 2HD2 ASN 4 15.170 23.623 11.419
26 HD22 ASN 4 1HD2 ASN 4 16.553 24.508 12.052
27 H LEU 5 H LEU 5 14.296 21.152 17.183
28 HA LEU 5 HA LEU 5 17.108 20.797 16.951
29 HB2 LEU 5 2HB LEU 5 15.087 19.425 18.764
30 HB3 LEU 5 3HB LEU 5 16.826 19.528 19.038
31 HG LEU 5 HG LEU 5 14.880 21.898 18.990
32 HD11 LEU 5 1HD1 LEU 5 15.402 22.054 21.363
33 HD12 LEU 5 2HD1 LEU 5 14.773 20.444 20.997
34 HD13 LEU 5 3HD1 LEU 5 16.510 20.669 21.241
35 HD21 LEU 5 3HD2 LEU 5 16.952 23.140 19.869
36 HD22 LEU 5 1HD2 LEU 5 17.903 21.738 19.377
37 HD23 LEU 5 2HD2 LEU 5 17.026 22.688 18.160
38 H ARG 6 H ARG 6 14.509 18.706 15.930
39 HA ARG 6 HA ARG 6 16.195 16.366 15.353
40 HB2 ARG 6 2HB ARG 6 13.430 16.988 14.303
41 HB3 ARG 6 3HB ARG 6 14.278 15.462 14.211
42 HG2 ARG 6 2HG ARG 6 13.273 16.792 16.771
43 HG3 ARG 6 3HG ARG 6 12.600 15.392 15.949
44 HD2 ARG 6 2HD ARG 6 13.772 14.316 17.603
45 HD3 ARG 6 3HD ARG 6 14.955 14.307 16.318
46 HE ARG 6 HE ARG 6 16.325 15.731 17.556
47 HH11 ARG 6 1HH1 ARG 6 13.213 15.588 19.263
48 HH12 ARG 6 2HH1 ARG 6 13.930 16.413 20.648
49 HH21 ARG 6 1HH2 ARG 6 17.060 16.717 19.438
50 HH22 ARG 6 2HH2 ARG 6 15.909 16.998 20.734
51 H ARG 7 H ARG 7 15.901 19.373 13.781
52 HA ARG 7 HA ARG 7 17.569 18.247 11.539
53 HB2 ARG 7 2HB ARG 7 16.271 21.001 11.795
54 HB3 ARG 7 3HB ARG 7 17.294 20.466 10.476
55 HG2 ARG 7 2HG ARG 7 14.515 19.465 11.194
56 HG3 ARG 7 3HG ARG 7 15.004 20.361 9.760
57 HD2 ARG 7 2HD ARG 7 15.611 17.466 10.451
58 HD3 ARG 7 3HD ARG 7 14.651 18.093 9.099
59 HE ARG 7 HE ARG 7 17.227 19.181 8.791
60 HH11 ARG 7 1HH1 ARG 7 15.814 15.951 8.522
61 HH12 ARG 7 2HH1 ARG 7 17.133 15.451 7.467
62 HH21 ARG 7 1HH2 ARG 7 18.773 18.463 7.685
63 HH22 ARG 7 2HH2 ARG 7 18.777 16.866 6.953
64 H CYS 8 H CYS 8 17.491 20.985 13.802
65 HA CYS 8 HA CYS 8 19.934 22.077 13.236
66 HB2 CYS 8 2HB CYS 8 18.117 23.076 14.577
67 HB3 CYS 8 3HB CYS 8 18.502 21.983 15.909
68 H GLU 9 H GLU 9 19.455 19.501 15.765
69 HA GLU 9 HA GLU 9 22.189 19.540 16.671
70 HB2 GLU 9 2HB GLU 9 20.136 17.303 16.594
71 HB3 GLU 9 3HB GLU 9 21.691 17.192 17.419
72 HG2 GLU 9 2HG GLU 9 21.098 19.015 18.931
73 HG3 GLU 9 3HG GLU 9 19.552 19.266 18.094
74 H LEU 10 H LEU 10 20.626 17.726 14.021
75 HA LEU 10 HA LEU 10 22.928 16.039 13.492
76 HB2 LEU 10 2HB LEU 10 20.528 16.643 11.719
77 HB3 LEU 10 3HB LEU 10 21.635 15.281 11.576
78 HG LEU 10 HG LEU 10 19.648 15.757 13.842
79 HD11 LEU 10 1HD1 LEU 10 19.741 13.634 11.657
80 HD12 LEU 10 2HD1 LEU 10 18.516 13.796 12.933
81 HD13 LEU 10 3HD1 LEU 10 18.650 15.046 11.693
82 HD21 LEU 10 3HD2 LEU 10 20.268 13.464 14.589
83 HD22 LEU 10 1HD2 LEU 10 21.583 13.439 13.396
84 HD23 LEU 10 2HD2 LEU 10 21.616 14.593 14.751
85 H SER 11 H SER 11 21.748 19.106 12.233
86 HA SER 11 HA SER 11 23.752 19.350 10.127
87 HB2 SER 11 2HB SER 11 21.804 21.312 11.379
88 HB3 SER 11 3HB SER 11 22.869 21.701 10.013
89 HG SER 11 HG SER 11 20.829 21.054 9.326
90 H CYS 12 H CYS 12 24.123 19.595 13.468
91 HA CYS 12 HA CYS 12 26.440 21.485 13.173
92 HB2 CYS 12 2HB CYS 12 24.388 21.196 15.376
93 HB3 CYS 12 3HB CYS 12 25.935 22.017 15.603
94 H ARG 13 H ARG 13 25.356 18.469 14.871
95 HA ARG 13 HA ARG 13 27.838 18.249 16.266
96 HB2 ARG 13 2HB ARG 13 25.672 17.209 16.930
97 HB3 ARG 13 3HB ARG 13 25.865 16.023 15.647
98 HG2 ARG 13 2HG ARG 13 26.487 15.174 17.885
99 HG3 ARG 13 3HG ARG 13 27.826 15.077 16.745
100 HD2 ARG 13 2HD ARG 13 28.910 17.005 17.749
101 HD3 ARG 13 3HD ARG 13 27.509 17.321 18.785
102 HE ARG 13 HE ARG 13 28.315 14.695 19.344
103 HH11 ARG 13 1HH1 ARG 13 29.835 17.906 19.839
104 HH12 ARG 13 2HH1 ARG 13 30.779 17.243 21.137
105 HH21 ARG 13 1HH2 ARG 13 29.679 14.077 20.991
106 HH22 ARG 13 2HH2 ARG 13 30.692 15.274 21.763
107 H SER 14 H SER 14 27.224 17.618 12.969
108 HA SER 14 HA SER 14 29.405 15.950 12.210
109 HB2 SER 14 2HB SER 14 29.279 17.320 10.108
110 HB3 SER 14 3HB SER 14 27.730 16.653 10.617
111 HG SER 14 HG SER 14 28.127 19.085 10.068
112 H LEU 15 H LEU 15 29.327 19.281 13.344
113 HA LEU 15 HA LEU 15 32.261 19.625 12.922
114 HB2 LEU 15 2HB LEU 15 30.146 21.629 13.737
115 HB3 LEU 15 3HB LEU 15 31.821 21.981 13.295
116 HG LEU 15 HG LEU 15 29.590 21.027 11.456
117 HD11 LEU 15 1HD1 LEU 15 29.870 23.234 10.422
118 HD12 LEU 15 2HD1 LEU 15 29.437 23.384 12.135
119 HD13 LEU 15 3HD1 LEU 15 31.118 23.649 11.617
120 HD21 LEU 15 3HD2 LEU 15 31.668 20.056 10.649
121 HD22 LEU 15 1HD2 LEU 15 31.262 21.445 9.630
122 HD23 LEU 15 2HD2 LEU 15 32.519 21.599 10.876
123 H GLY 16 H GLY 16 30.442 18.283 15.283
124 HA2 GLY 16 3HA GLY 16 30.979 17.798 17.490
125 HA3 GLY 16 3HA GLY 16 32.278 18.976 17.452
126 H LEU 17 H LEU 17 29.564 20.691 16.430
127 HA LEU 17 HA LEU 17 29.199 21.825 19.120
128 HB2 LEU 17 2HB LEU 17 27.618 23.373 17.554
129 HB3 LEU 17 3HB LEU 17 29.226 23.749 18.100
130 HG LEU 17 HG LEU 17 28.848 22.289 15.479
131 HD11 LEU 17 1HD1 LEU 17 28.591 25.277 15.905
132 HD12 LEU 17 2HD1 LEU 17 28.920 24.512 14.342
133 HD13 LEU 17 3HD1 LEU 17 27.405 24.171 15.177
134 HD21 LEU 17 3HD2 LEU 17 30.889 24.337 16.412
135 HD22 LEU 17 1HD2 LEU 17 31.119 22.595 16.573
136 HD23 LEU 17 2HD2 LEU 17 30.979 23.345 14.953
137 H LEU 18 H LEU 18 27.090 22.053 20.135
138 HA LEU 18 HA LEU 18 25.110 20.024 19.234
139 HB2 LEU 18 2HB LEU 18 25.790 21.167 21.968
140 HB3 LEU 18 3HB LEU 18 24.299 20.314 21.652
141 HG LEU 18 HG LEU 18 25.812 18.834 22.671
142 HD11 LEU 18 1HD1 LEU 18 25.826 16.956 21.163
143 HD12 LEU 18 2HD1 LEU 18 24.331 17.869 20.947
144 HD13 LEU 18 3HD1 LEU 18 25.636 18.009 19.755
145 HD21 LEU 18 3HD2 LEU 18 27.953 19.896 21.990
146 HD22 LEU 18 1HD2 LEU 18 27.922 18.133 21.849
147 HD23 LEU 18 2HD2 LEU 18 27.777 19.127 20.396
148 H GLY 19 H GLY 19 23.132 20.457 18.898
149 HA2 GLY 19 3HA GLY 19 22.330 23.261 18.376
150 HA3 GLY 19 3HA GLY 19 21.483 21.815 17.847
151 H LYS 20 H LYS 20 21.388 24.392 19.996
152 HA LYS 20 HA LYS 20 19.351 23.063 21.726
153 HB2 LYS 20 2HB LYS 20 20.396 24.141 23.672
154 HB3 LYS 20 3HB LYS 20 21.473 23.008 22.854
155 HG2 LYS 20 2HG LYS 20 22.592 24.968 21.689
156 HG3 LYS 20 3HG LYS 20 21.521 26.051 22.586
157 HD2 LYS 20 2HD LYS 20 23.592 26.007 23.707
158 HD3 LYS 20 3HD LYS 20 22.455 25.097 24.714
159 HE2 LYS 20 2HE LYS 20 23.377 22.962 23.748
160 HE3 LYS 20 3HE LYS 20 24.543 23.912 22.811
161 HZ1 LYS 20 3HZ LYS 20 25.391 24.760 24.995
162 HZ2 LYS 20 1HZ LYS 20 24.353 23.737 25.765
163 HZ3 LYS 20 2HZ LYS 20 25.560 23.150 24.882
164 H CYS 21 H CYS 21 17.958 24.392 22.904
165 HA CYS 21 HA CYS 21 17.070 26.676 21.245
166 HB2 CYS 21 2HB CYS 21 15.741 24.506 21.845
167 HB3 CYS 21 3HB CYS 21 15.401 25.331 23.357
168 H ILE 22 H ILE 22 18.277 28.379 21.955
169 HA ILE 22 HA ILE 22 18.640 29.093 24.717
170 HB ILE 22 HB ILE 22 18.878 30.821 22.225
171 HG12 ILE 22 2HG1 ILE 22 20.334 28.918 21.932
172 HG13 ILE 22 3HG1 ILE 22 21.298 30.327 22.326
173 HG21 ILE 22 1HG2 ILE 22 20.484 32.133 23.631
174 HG22 ILE 22 2HG2 ILE 22 18.819 32.213 24.194
175 HG23 ILE 22 3HG2 ILE 22 19.982 31.177 25.042
176 HD11 ILE 22 3HD1 ILE 22 22.183 28.374 23.458
177 HD12 ILE 22 1HD1 ILE 22 21.549 29.491 24.672
178 HD13 ILE 22 2HD1 ILE 22 20.622 28.037 24.227
179 H GLY 23 H GLY 23 16.170 30.016 22.342
180 HA2 GLY 23 3HA GLY 23 14.062 30.149 24.002
181 HA3 GLY 23 3HA GLY 23 14.745 31.762 24.251
182 H GLU 24 H GLU 24 15.558 31.695 21.227
183 HA GLU 24 HA GLU 24 12.877 32.496 20.196
184 HB2 GLU 24 2HB GLU 24 14.960 33.612 18.602
185 HB3 GLU 24 3HB GLU 24 13.747 34.394 19.601
186 HG2 GLU 24 2HG GLU 24 15.789 35.319 20.243
187 HG3 GLU 24 3HG GLU 24 15.342 34.263 21.562
188 H GLU 25 H GLU 25 15.993 31.309 18.889
189 HA GLU 25 HA GLU 25 14.650 29.099 17.546
190 HB2 GLU 25 2HB GLU 25 15.210 29.518 15.332
191 HB3 GLU 25 3HB GLU 25 14.354 30.943 15.882
192 HG2 GLU 25 2HG GLU 25 17.386 30.754 15.610
193 HG3 GLU 25 3HG GLU 25 16.327 31.270 14.324
194 H CYS 26 H CYS 26 16.206 27.514 16.627
195 HA CYS 26 HA CYS 26 18.009 26.836 18.580
196 HB2 CYS 26 2HB CYS 26 16.998 25.364 16.777
197 HB3 CYS 26 3HB CYS 26 18.253 25.945 15.688
198 H LYS 27 H LYS 27 20.133 26.949 19.026
199 HA LYS 27 HA LYS 27 22.049 28.321 17.164
200 HB2 LYS 27 2HB LYS 27 22.074 28.501 20.211
201 HB3 LYS 27 3HB LYS 27 23.168 29.312 19.095
202 HG2 LYS 27 2HG LYS 27 20.205 29.903 19.457
203 HG3 LYS 27 3HG LYS 27 21.553 30.864 20.051
204 HD2 LYS 27 2HD LYS 27 22.289 31.229 17.689
205 HD3 LYS 27 3HD LYS 27 20.835 30.411 17.110
206 HE2 LYS 27 2HE LYS 27 20.942 32.969 18.771
207 HE3 LYS 27 3HE LYS 27 20.567 32.833 17.066
208 HZ1 LYS 27 3HZ LYS 27 18.805 32.346 19.305
209 HZ2 LYS 27 1HZ LYS 27 18.464 32.707 17.767
210 HZ3 LYS 27 2HZ LYS 27 18.751 31.152 18.183
211 H CYS 28 H CYS 28 24.258 27.498 17.290
212 HA CYS 28 HA CYS 28 24.407 24.823 18.623
213 HB2 CYS 28 2HB CYS 28 25.671 25.560 16.028
214 HB3 CYS 28 3HB CYS 28 25.779 24.043 16.897
215 H VAL 29 H VAL 29 25.887 24.544 20.051
216 HA VAL 29 HA VAL 29 28.519 25.906 19.994
217 HB VAL 29 HB VAL 29 28.026 26.938 22.214
218 HG11 VAL 29 1HG1 VAL 29 27.932 28.308 20.144
219 HG12 VAL 29 2HG1 VAL 29 26.166 28.108 20.152
220 HG13 VAL 29 3HG1 VAL 29 26.972 28.909 21.505
221 HG21 VAL 29 3HG2 VAL 29 25.104 26.368 21.639
222 HG22 VAL 29 1HG2 VAL 29 26.103 25.584 22.888
223 HG23 VAL 29 2HG2 VAL 29 25.773 27.316 22.978
224 HA PRO 30 HA PRO 30 29.857 22.504 22.545
225 HB2 PRO 30 2HB PRO 30 30.769 24.478 24.640
226 HB3 PRO 30 3HB PRO 30 31.642 23.059 23.973
227 HG2 PRO 30 2HG PRO 30 32.235 25.527 23.068
228 HG3 PRO 30 3HG PRO 30 32.003 24.199 21.885
229 HD2 PRO 30 2HD PRO 30 30.025 26.318 22.743
230 HD3 PRO 30 3HD PRO 30 30.442 25.785 21.086
231 H TYR 31 H TYR 31 29.694 21.372 24.618
232 HA TYR 31 HA TYR 31 27.181 20.667 25.185
233 HB2 TYR 31 2HB TYR 31 29.439 20.480 27.197
234 HB3 TYR 31 3HB TYR 31 28.057 19.404 27.053
235 HD1 TYR 31 HD2 TYR 31 27.849 17.921 24.979
236 HD2 TYR 31 HD1 TYR 31 31.415 20.151 25.890
237 HE1 TYR 31 HE2 TYR 31 29.145 16.467 23.437
238 HE2 TYR 31 HE1 TYR 31 32.706 18.732 24.329
239 HH TYR 31 HH TYR 31 32.631 17.040 22.782
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 15.196 25.675 26.323
2 H2 ALA 1 H2 ALA 1 15.913 26.568 25.151
3 H3 ALA 1 H3 ALA 1 16.631 26.422 26.628
4 HA ALA 1 HA ALA 1 17.684 25.095 24.906
5 HB1 ALA 1 3HB ALA 1 18.061 24.408 27.168
6 HB2 ALA 1 1HB ALA 1 16.488 23.578 27.254
7 HB3 ALA 1 2HB ALA 1 17.772 22.962 26.197
8 H PHE 2 H PHE 2 14.475 23.606 25.747
9 HA PHE 2 HA PHE 2 14.705 21.579 23.801
10 HB2 PHE 2 2HB PHE 2 13.255 21.501 25.794
11 HB3 PHE 2 3HB PHE 2 12.193 22.710 25.077
12 HD1 PHE 2 HD1 PHE 2 13.344 19.189 24.928
13 HD2 PHE 2 HD2 PHE 2 10.695 22.123 23.196
14 HE1 PHE 2 HE1 PHE 2 12.156 17.394 23.690
15 HE2 PHE 2 HE2 PHE 2 9.547 20.333 21.926
16 HZ PHE 2 HZ PHE 2 10.267 17.963 22.176
17 H CYS 3 H CYS 3 13.784 21.195 21.761
18 HA CYS 3 HA CYS 3 12.685 23.399 20.209
19 HB2 CYS 3 2HB CYS 3 15.202 23.752 20.611
20 HB3 CYS 3 3HB CYS 3 15.451 22.432 19.480
21 H ASN 4 H ASN 4 13.077 22.827 17.714
22 HA ASN 4 HA ASN 4 12.268 20.123 16.947
23 HB2 ASN 4 2HB ASN 4 13.481 22.407 15.325
24 HB3 ASN 4 3HB ASN 4 12.705 20.979 14.676
25 HD21 ASN 4 2HD2 ASN 4 12.217 24.176 15.085
26 HD22 ASN 4 1HD2 ASN 4 10.461 24.156 15.277
27 H LEU 5 H LEU 5 14.083 19.378 18.543
28 HA LEU 5 HA LEU 5 16.828 20.028 18.113
29 HB2 LEU 5 2HB LEU 5 15.449 17.833 19.687
30 HB3 LEU 5 3HB LEU 5 17.171 18.192 19.815
31 HG LEU 5 HG LEU 5 15.064 20.321 20.353
32 HD11 LEU 5 1HD1 LEU 5 14.603 18.484 21.865
33 HD12 LEU 5 2HD1 LEU 5 16.328 18.336 22.260
34 HD13 LEU 5 3HD1 LEU 5 15.424 19.771 22.769
35 HD21 LEU 5 3HD2 LEU 5 17.381 21.146 19.969
36 HD22 LEU 5 1HD2 LEU 5 16.878 21.364 21.655
37 HD23 LEU 5 2HD2 LEU 5 17.961 20.032 21.220
38 H ARG 6 H ARG 6 14.941 17.267 17.047
39 HA ARG 6 HA ARG 6 17.048 15.729 15.776
40 HB2 ARG 6 2HB ARG 6 14.040 15.822 15.707
41 HB3 ARG 6 3HB ARG 6 14.836 14.980 14.416
42 HG2 ARG 6 2HG ARG 6 14.052 13.567 16.322
43 HG3 ARG 6 3HG ARG 6 15.707 13.306 15.806
44 HD2 ARG 6 2HD ARG 6 15.067 15.071 18.197
45 HD3 ARG 6 3HD ARG 6 15.182 13.308 18.333
46 HE ARG 6 HE ARG 6 17.497 13.833 17.056
47 HH11 ARG 6 1HH1 ARG 6 16.337 15.186 20.085
48 HH12 ARG 6 2HH1 ARG 6 17.948 15.689 20.540
49 HH21 ARG 6 1HH2 ARG 6 19.343 14.489 17.597
50 HH22 ARG 6 2HH2 ARG 6 19.661 15.408 19.066
51 H ARG 7 H ARG 7 16.115 18.778 14.913
52 HA ARG 7 HA ARG 7 17.581 18.429 12.310
53 HB2 ARG 7 2HB ARG 7 15.233 20.234 12.981
54 HB3 ARG 7 3HB ARG 7 16.361 20.650 11.692
55 HG2 ARG 7 2HG ARG 7 15.836 18.767 10.384
56 HG3 ARG 7 3HG ARG 7 15.064 17.903 11.717
57 HD2 ARG 7 2HD ARG 7 13.946 20.507 10.606
58 HD3 ARG 7 3HD ARG 7 13.517 18.911 9.971
59 HE ARG 7 HE ARG 7 13.016 18.470 12.559
60 HH11 ARG 7 1HH1 ARG 7 11.809 21.106 10.526
61 HH12 ARG 7 2HH1 ARG 7 10.500 21.409 11.642
62 HH21 ARG 7 1HH2 ARG 7 11.291 18.753 13.685
63 HH22 ARG 7 2HH2 ARG 7 10.041 19.895 13.198
64 H CYS 8 H CYS 8 16.938 20.659 15.032
65 HA CYS 8 HA CYS 8 18.937 22.544 14.480
66 HB2 CYS 8 2HB CYS 8 17.266 23.093 16.008
67 HB3 CYS 8 3HB CYS 8 17.506 21.639 16.966
68 H GLU 9 H GLU 9 19.356 19.526 16.489
69 HA GLU 9 HA GLU 9 22.122 20.189 17.113
70 HB2 GLU 9 2HB GLU 9 20.632 17.534 17.254
71 HB3 GLU 9 3HB GLU 9 22.309 17.803 17.749
72 HG2 GLU 9 2HG GLU 9 21.560 19.461 19.409
73 HG3 GLU 9 3HG GLU 9 19.874 19.043 19.048
74 H LEU 10 H LEU 10 20.696 17.789 14.809
75 HA LEU 10 HA LEU 10 23.269 16.865 14.094
76 HB2 LEU 10 2HB LEU 10 22.211 15.533 12.364
77 HB3 LEU 10 3HB LEU 10 21.488 15.381 13.962
78 HG LEU 10 HG LEU 10 19.539 16.701 13.240
79 HD11 LEU 10 1HD1 LEU 10 20.322 18.160 11.487
80 HD12 LEU 10 2HD1 LEU 10 20.919 16.777 10.534
81 HD13 LEU 10 3HD1 LEU 10 19.180 17.037 10.757
82 HD21 LEU 10 3HD2 LEU 10 18.627 14.981 11.711
83 HD22 LEU 10 1HD2 LEU 10 20.270 14.405 11.376
84 HD23 LEU 10 2HD2 LEU 10 19.579 14.244 13.009
85 H SER 11 H SER 11 21.643 19.626 12.889
86 HA SER 11 HA SER 11 23.147 20.012 10.457
87 HB2 SER 11 2HB SER 11 21.093 21.230 11.014
88 HB3 SER 11 3HB SER 11 21.886 21.965 12.407
89 HG SER 11 HG SER 11 21.992 23.397 10.752
90 H CYS 12 H CYS 12 23.701 21.133 13.844
91 HA CYS 12 HA CYS 12 26.319 22.293 13.306
92 HB2 CYS 12 2HB CYS 12 24.746 21.624 15.818
93 HB3 CYS 12 3HB CYS 12 26.357 22.339 15.852
94 H ARG 13 H ARG 13 25.176 19.116 14.403
95 HA ARG 13 HA ARG 13 27.601 18.127 15.367
96 HB2 ARG 13 2HB ARG 13 25.228 17.158 15.512
97 HB3 ARG 13 3HB ARG 13 25.514 16.452 13.916
98 HG2 ARG 13 2HG ARG 13 25.859 14.835 15.701
99 HG3 ARG 13 3HG ARG 13 27.369 15.103 14.845
100 HD2 ARG 13 2HD ARG 13 28.215 16.497 16.648
101 HD3 ARG 13 3HD ARG 13 26.633 16.507 17.457
102 HE ARG 13 HE ARG 13 27.118 13.868 17.424
103 HH11 ARG 13 2HH2 ARG 13 29.368 16.407 18.541
104 HH12 ARG 13 1HH2 ARG 13 30.259 15.164 19.419
105 HH21 ARG 13 1HH1 ARG 13 28.265 12.575 18.642
106 HH22 ARG 13 2HH1 ARG 13 29.714 13.175 19.479
107 H SER 14 H SER 14 26.887 18.780 12.098
108 HA SER 14 HA SER 14 28.796 17.273 10.634
109 HB2 SER 14 2HB SER 14 28.776 19.190 9.107
110 HB3 SER 14 3HB SER 14 27.144 18.774 9.611
111 HG SER 14 HG SER 14 26.988 20.611 10.727
112 H LEU 15 H LEU 15 29.291 20.093 12.752
113 HA LEU 15 HA LEU 15 32.250 19.893 12.436
114 HB2 LEU 15 2HB LEU 15 30.523 22.044 13.686
115 HB3 LEU 15 3HB LEU 15 32.292 22.097 13.524
116 HG LEU 15 HG LEU 15 30.241 22.255 11.299
117 HD11 LEU 15 1HD1 LEU 15 31.179 24.501 10.992
118 HD12 LEU 15 2HD1 LEU 15 30.550 24.302 12.642
119 HD13 LEU 15 3HD1 LEU 15 32.300 24.230 12.340
120 HD21 LEU 15 3HD2 LEU 15 33.271 22.218 11.110
121 HD22 LEU 15 1HD2 LEU 15 32.156 21.010 10.426
122 HD23 LEU 15 2HD2 LEU 15 32.171 22.662 9.791
123 H GLY 16 H GLY 16 30.108 18.352 14.238
124 HA2 GLY 16 3HA GLY 16 30.419 17.106 16.179
125 HA3 GLY 16 3HA GLY 16 31.835 18.051 16.593
126 H LEU 17 H LEU 17 29.880 20.548 16.190
127 HA LEU 17 HA LEU 17 29.401 20.805 19.020
128 HB2 LEU 17 2HB LEU 17 27.944 22.873 17.923
129 HB3 LEU 17 3HB LEU 17 29.566 22.938 18.564
130 HG LEU 17 HG LEU 17 29.088 22.348 15.631
131 HD11 LEU 17 1HD1 LEU 17 27.924 24.443 16.098
132 HD12 LEU 17 2HD1 LEU 17 29.349 25.065 16.970
133 HD13 LEU 17 3HD1 LEU 17 29.429 24.763 15.221
134 HD21 LEU 17 3HD2 LEU 17 31.372 21.977 16.662
135 HD22 LEU 17 1HD2 LEU 17 31.356 23.244 15.406
136 HD23 LEU 17 2HD2 LEU 17 31.382 23.675 17.134
137 H LEU 18 H LEU 18 27.379 21.104 20.120
138 HA LEU 18 HA LEU 18 25.039 19.789 18.798
139 HB2 LEU 18 2HB LEU 18 25.873 19.860 21.710
140 HB3 LEU 18 3HB LEU 18 24.285 19.331 21.181
141 HG LEU 18 HG LEU 18 26.874 18.049 20.202
142 HD11 LEU 18 1HD1 LEU 18 24.979 17.163 22.420
143 HD12 LEU 18 2HD1 LEU 18 26.349 16.229 21.781
144 HD13 LEU 18 3HD1 LEU 18 26.641 17.751 22.633
145 HD21 LEU 18 3HD2 LEU 18 24.933 17.636 18.706
146 HD22 LEU 18 1HD2 LEU 18 25.359 16.173 19.588
147 HD23 LEU 18 2HD2 LEU 18 23.959 17.123 20.103
148 H GLY 19 H GLY 19 23.004 20.549 19.196
149 HA2 GLY 19 3HA GLY 19 22.931 23.526 19.379
150 HA3 GLY 19 3HA GLY 19 21.945 22.566 18.291
151 H LYS 20 H LYS 20 21.358 24.601 20.384
152 HA LYS 20 HA LYS 20 18.933 23.301 21.431
153 HB2 LYS 20 2HB LYS 20 20.979 24.670 23.246
154 HB3 LYS 20 3HB LYS 20 19.256 24.711 23.595
155 HG2 LYS 20 2HG LYS 20 19.791 22.889 24.827
156 HG3 LYS 20 3HG LYS 20 19.334 22.116 23.328
157 HD2 LYS 20 2HD LYS 20 21.961 22.278 22.828
158 HD3 LYS 20 3HD LYS 20 22.081 22.548 24.558
159 HE2 LYS 20 2HE LYS 20 22.467 20.202 23.985
160 HE3 LYS 20 3HE LYS 20 21.014 20.352 24.987
161 HZ1 LYS 20 3HZ LYS 20 20.957 18.923 22.783
162 HZ2 LYS 20 1HZ LYS 20 19.663 19.844 23.205
163 HZ3 LYS 20 2HZ LYS 20 20.716 20.363 22.062
164 H CYS 21 H CYS 21 17.278 24.907 21.966
165 HA CYS 21 HA CYS 21 17.713 27.531 20.552
166 HB2 CYS 21 2HB CYS 21 15.112 26.005 20.666
167 HB3 CYS 21 3HB CYS 21 15.474 27.454 19.735
168 H ILE 22 H ILE 22 16.648 29.306 21.404
169 HA ILE 22 HA ILE 22 15.745 29.170 24.210
170 HB ILE 22 HB ILE 22 15.360 31.428 22.228
171 HG12 ILE 22 2HG1 ILE 22 17.738 31.075 22.453
172 HG13 ILE 22 3HG1 ILE 22 17.276 32.528 23.312
173 HG21 ILE 22 1HG2 ILE 22 15.088 32.812 24.288
174 HG22 ILE 22 2HG2 ILE 22 13.810 31.611 24.086
175 HG23 ILE 22 3HG2 ILE 22 15.106 31.329 25.262
176 HD11 ILE 22 3HD1 ILE 22 17.940 29.826 24.575
177 HD12 ILE 22 1HD1 ILE 22 18.954 31.275 24.561
178 HD13 ILE 22 2HD1 ILE 22 17.439 31.275 25.476
179 H GLY 23 H GLY 23 14.139 29.412 21.038
180 HA2 GLY 23 3HA GLY 23 11.979 27.659 22.129
181 HA3 GLY 23 3HA GLY 23 11.529 29.127 21.259
182 H GLU 24 H GLU 24 13.294 29.178 19.174
183 HA GLU 24 HA GLU 24 13.119 26.592 17.684
184 HB2 GLU 24 2HB GLU 24 11.642 29.108 16.847
185 HB3 GLU 24 3HB GLU 24 12.094 27.829 15.707
186 HG2 GLU 24 2HG GLU 24 10.847 26.172 17.093
187 HG3 GLU 24 3HG GLU 24 10.283 27.495 18.121
188 H GLU 25 H GLU 25 14.668 29.597 18.146
189 HA GLU 25 HA GLU 25 16.020 29.760 15.573
190 HB2 GLU 25 2HB GLU 25 16.536 31.973 16.232
191 HB3 GLU 25 3HB GLU 25 14.855 31.632 16.598
192 HG2 GLU 25 2HG GLU 25 17.104 32.319 18.405
193 HG3 GLU 25 3HG GLU 25 15.400 32.739 18.467
194 H CYS 26 H CYS 26 16.854 27.633 16.563
195 HA CYS 26 HA CYS 26 18.640 26.876 18.249
196 HB2 CYS 26 2HB CYS 26 17.834 25.632 16.212
197 HB3 CYS 26 3HB CYS 26 19.027 26.481 15.258
198 H LYS 27 H LYS 27 20.356 27.446 19.204
199 HA LYS 27 HA LYS 27 22.773 28.500 17.785
200 HB2 LYS 27 2HB LYS 27 23.460 29.352 20.066
201 HB3 LYS 27 3HB LYS 27 22.201 30.232 19.223
202 HG2 LYS 27 2HG LYS 27 21.385 28.135 21.234
203 HG3 LYS 27 3HG LYS 27 22.033 29.656 21.821
204 HD2 LYS 27 2HD LYS 27 19.714 29.563 19.850
205 HD3 LYS 27 3HD LYS 27 19.489 29.538 21.598
206 HE2 LYS 27 2HE LYS 27 20.299 31.704 21.885
207 HE3 LYS 27 3HE LYS 27 21.198 31.712 20.365
208 HZ1 LYS 27 3HZ LYS 27 18.958 32.976 20.524
209 HZ2 LYS 27 1HZ LYS 27 19.285 32.126 19.159
210 HZ3 LYS 27 2HZ LYS 27 18.268 31.494 20.271
211 H CYS 28 H CYS 28 24.910 27.733 18.813
212 HA CYS 28 HA CYS 28 24.709 24.990 19.838
213 HB2 CYS 28 2HB CYS 28 26.070 25.617 17.204
214 HB3 CYS 28 3HB CYS 28 26.097 24.089 18.040
215 H VAL 29 H VAL 29 26.636 24.118 20.587
216 HA VAL 29 HA VAL 29 29.133 25.654 20.537
217 HB VAL 29 HB VAL 29 29.262 25.677 23.032
218 HG11 VAL 29 1HG1 VAL 29 28.173 27.714 23.429
219 HG12 VAL 29 2HG1 VAL 29 28.724 27.745 21.747
220 HG13 VAL 29 3HG1 VAL 29 27.002 27.449 22.137
221 HG21 VAL 29 3HG2 VAL 29 26.273 25.243 23.022
222 HG22 VAL 29 1HG2 VAL 29 27.512 24.094 23.588
223 HG23 VAL 29 2HG2 VAL 29 27.293 25.638 24.413
224 HA PRO 30 HA PRO 30 30.786 21.517 21.250
225 HB2 PRO 30 2HB PRO 30 33.266 22.019 22.248
226 HB3 PRO 30 3HB PRO 30 32.808 22.434 20.578
227 HG2 PRO 30 2HG PRO 30 32.816 24.249 23.013
228 HG3 PRO 30 3HG PRO 30 33.567 24.549 21.409
229 HD2 PRO 30 2HD PRO 30 31.126 25.533 22.034
230 HD3 PRO 30 3HD PRO 30 31.477 24.916 20.389
231 H TYR 31 H TYR 31 31.426 19.954 22.914
232 HA TYR 31 HA TYR 31 30.791 20.690 25.737
233 HB2 TYR 31 2HB TYR 31 29.282 18.640 24.093
234 HB3 TYR 31 3HB TYR 31 29.280 18.655 25.833
235 HD1 TYR 31 HD2 TYR 31 28.218 20.462 27.141
236 HD2 TYR 31 HD1 TYR 31 28.032 20.349 22.831
237 HE1 TYR 31 HE2 TYR 31 26.337 22.125 27.180
238 HE2 TYR 31 HE1 TYR 31 26.157 21.987 22.867
239 HH TYR 31 HH TYR 31 24.766 23.255 24.154
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 7.027 19.312 26.721
2 H2 ALA 1 H2 ALA 1 8.525 20.012 26.756
3 H3 ALA 1 H3 ALA 1 8.289 18.553 26.001
4 HA ALA 1 HA ALA 1 6.846 19.531 24.401
5 HB1 ALA 1 3HB ALA 1 6.023 21.419 25.750
6 HB2 ALA 1 1HB ALA 1 7.641 22.154 25.746
7 HB3 ALA 1 2HB ALA 1 6.734 22.001 24.231
8 H PHE 2 H PHE 2 7.991 19.151 22.613
9 HA PHE 2 HA PHE 2 10.844 19.260 22.582
10 HB2 PHE 2 2HB PHE 2 8.890 19.006 20.271
11 HB3 PHE 2 3HB PHE 2 10.616 18.642 20.205
12 HD1 PHE 2 HD1 PHE 2 11.532 16.816 21.819
13 HD2 PHE 2 HD2 PHE 2 7.344 17.288 20.895
14 HE1 PHE 2 HE1 PHE 2 11.101 14.496 22.581
15 HE2 PHE 2 HE2 PHE 2 6.913 14.967 21.653
16 HZ PHE 2 HZ PHE 2 8.792 13.566 22.499
17 H CYS 3 H CYS 3 12.300 20.564 21.554
18 HA CYS 3 HA CYS 3 11.466 23.249 20.601
19 HB2 CYS 3 2HB CYS 3 14.002 22.049 21.566
20 HB3 CYS 3 3HB CYS 3 14.049 23.421 20.450
21 H ASN 4 H ASN 4 12.569 24.061 18.594
22 HA ASN 4 HA ASN 4 12.163 22.210 16.361
23 HB2 ASN 4 2HB ASN 4 13.292 25.003 16.249
24 HB3 ASN 4 3HB ASN 4 12.538 24.107 14.962
25 HD21 ASN 4 2HD2 ASN 4 11.809 26.677 15.566
26 HD22 ASN 4 1HD2 ASN 4 10.137 26.656 16.166
27 H LEU 5 H LEU 5 13.820 20.808 17.486
28 HA LEU 5 HA LEU 5 16.619 21.666 17.458
29 HB2 LEU 5 2HB LEU 5 15.267 19.060 18.307
30 HB3 LEU 5 3HB LEU 5 16.952 19.480 18.627
31 HG LEU 5 HG LEU 5 14.566 21.036 19.689
32 HD11 LEU 5 1HD1 LEU 5 14.645 18.785 20.643
33 HD12 LEU 5 2HD1 LEU 5 16.359 19.008 21.051
34 HD13 LEU 5 3HD1 LEU 5 15.117 19.987 21.860
35 HD21 LEU 5 3HD2 LEU 5 16.288 22.005 21.247
36 HD22 LEU 5 1HD2 LEU 5 17.543 21.177 20.309
37 HD23 LEU 5 2HD2 LEU 5 16.560 22.450 19.558
38 H ARG 6 H ARG 6 14.592 19.615 15.492
39 HA ARG 6 HA ARG 6 16.566 17.940 14.336
40 HB2 ARG 6 2HB ARG 6 13.980 17.909 14.057
41 HB3 ARG 6 3HB ARG 6 14.244 19.056 12.731
42 HG2 ARG 6 2HG ARG 6 15.784 17.392 11.659
43 HG3 ARG 6 3HG ARG 6 15.457 16.270 12.991
44 HD2 ARG 6 2HD ARG 6 13.024 16.323 12.404
45 HD3 ARG 6 3HD ARG 6 13.396 17.359 11.017
46 HE ARG 6 HE ARG 6 13.878 14.475 11.291
47 HH11 ARG 6 1HH1 ARG 6 14.943 17.291 9.436
48 HH12 ARG 6 2HH1 ARG 6 15.592 16.253 8.177
49 HH21 ARG 6 1HH2 ARG 6 14.696 13.312 9.674
50 HH22 ARG 6 2HH2 ARG 6 15.695 14.079 8.454
51 H ARG 7 H ARG 7 15.778 21.328 13.485
52 HA ARG 7 HA ARG 7 17.633 21.386 11.229
53 HB2 ARG 7 2HB ARG 7 16.117 23.494 12.808
54 HB3 ARG 7 3HB ARG 7 17.279 23.916 11.540
55 HG2 ARG 7 2HG ARG 7 16.073 22.481 9.926
56 HG3 ARG 7 3HG ARG 7 14.833 22.131 11.136
57 HD2 ARG 7 2HD ARG 7 15.510 25.003 10.678
58 HD3 ARG 7 3HD ARG 7 14.755 24.163 9.328
59 HE ARG 7 HE ARG 7 12.768 23.803 10.583
60 HH11 ARG 7 1HH1 ARG 7 14.942 25.981 12.302
61 HH12 ARG 7 2HH1 ARG 7 13.609 26.665 13.218
62 HH21 ARG 7 1HH2 ARG 7 11.224 24.749 11.687
63 HH22 ARG 7 2HH2 ARG 7 11.559 26.208 12.624
64 H CYS 8 H CYS 8 18.334 21.551 14.592
65 HA CYS 8 HA CYS 8 21.023 22.656 14.003
66 HB2 CYS 8 2HB CYS 8 21.002 23.366 16.203
67 HB3 CYS 8 3HB CYS 8 19.482 23.867 15.514
68 H GLU 9 H GLU 9 19.514 20.055 16.037
69 HA GLU 9 HA GLU 9 22.040 19.243 17.009
70 HB2 GLU 9 2HB GLU 9 19.235 18.160 17.123
71 HB3 GLU 9 3HB GLU 9 20.545 17.119 17.642
72 HG2 GLU 9 2HG GLU 9 20.241 19.948 18.735
73 HG3 GLU 9 3HG GLU 9 19.378 18.574 19.426
74 H LEU 10 H LEU 10 20.556 18.065 14.027
75 HA LEU 10 HA LEU 10 22.284 15.658 14.007
76 HB2 LEU 10 2HB LEU 10 20.354 16.837 11.961
77 HB3 LEU 10 3HB LEU 10 21.378 15.439 11.682
78 HG LEU 10 HG LEU 10 20.255 14.300 13.646
79 HD11 LEU 10 1HD1 LEU 10 17.917 15.074 14.155
80 HD12 LEU 10 2HD1 LEU 10 19.159 16.118 14.828
81 HD13 LEU 10 3HD1 LEU 10 18.293 16.610 13.348
82 HD21 LEU 10 3HD2 LEU 10 18.274 13.681 12.293
83 HD22 LEU 10 1HD2 LEU 10 18.512 15.119 11.274
84 HD23 LEU 10 2HD2 LEU 10 19.715 13.812 11.274
85 H SER 11 H SER 11 22.026 18.815 12.482
86 HA SER 11 HA SER 11 24.289 18.409 10.712
87 HB2 SER 11 2HB SER 11 23.902 20.767 10.092
88 HB3 SER 11 3HB SER 11 22.446 19.764 10.019
89 HG SER 11 HG SER 11 21.603 20.694 11.702
90 H CYS 12 H CYS 12 23.871 20.320 13.732
91 HA CYS 12 HA CYS 12 26.554 21.282 13.792
92 HB2 CYS 12 2HB CYS 12 24.516 20.849 16.020
93 HB3 CYS 12 3HB CYS 12 26.048 21.707 16.209
94 H ARG 13 H ARG 13 25.231 18.130 14.924
95 HA ARG 13 HA ARG 13 27.593 17.408 16.395
96 HB2 ARG 13 2HB ARG 13 25.191 16.337 16.393
97 HB3 ARG 13 3HB ARG 13 25.767 15.412 15.022
98 HG2 ARG 13 2HG ARG 13 26.084 14.044 16.939
99 HG3 ARG 13 3HG ARG 13 27.683 14.605 16.476
100 HD2 ARG 13 2HD ARG 13 27.686 14.782 18.791
101 HD3 ARG 13 3HD ARG 13 27.392 16.443 18.304
102 HE ARG 13 HE ARG 13 25.595 14.579 19.705
103 HH11 ARG 13 1HH1 ARG 13 25.737 17.811 18.246
104 HH12 ARG 13 2HH1 ARG 13 24.127 18.169 18.879
105 HH21 ARG 13 2HH2 ARG 13 23.666 15.270 20.551
106 HH22 ARG 13 1HH2 ARG 13 23.094 16.893 20.184
107 H SER 14 H SER 14 26.857 17.076 12.922
108 HA SER 14 HA SER 14 29.290 15.597 12.356
109 HB2 SER 14 2HB SER 14 27.458 17.122 10.476
110 HB3 SER 14 3HB SER 14 28.771 16.014 10.003
111 HG SER 14 HG SER 14 26.993 14.721 10.082
112 H LEU 15 H LEU 15 28.794 18.953 12.999
113 HA LEU 15 HA LEU 15 31.462 19.674 11.880
114 HB2 LEU 15 2HB LEU 15 29.460 21.301 13.464
115 HB3 LEU 15 3HB LEU 15 30.975 21.897 12.776
116 HG LEU 15 HG LEU 15 28.590 20.917 11.177
117 HD11 LEU 15 1HD1 LEU 15 28.349 23.310 10.584
118 HD12 LEU 15 2HD1 LEU 15 28.132 23.034 12.323
119 HD13 LEU 15 3HD1 LEU 15 29.657 23.717 11.711
120 HD21 LEU 15 3HD2 LEU 15 31.189 22.240 10.290
121 HD22 LEU 15 1HD2 LEU 15 30.688 20.568 9.944
122 HD23 LEU 15 2HD2 LEU 15 29.788 21.916 9.247
123 H GLY 16 H GLY 16 30.107 18.408 14.780
124 HA2 GLY 16 3HA GLY 16 31.307 17.691 16.684
125 HA3 GLY 16 3HA GLY 16 32.609 18.826 16.330
126 H LEU 17 H LEU 17 29.274 19.994 16.287
127 HA LEU 17 HA LEU 17 29.734 21.378 18.876
128 HB2 LEU 17 2HB LEU 17 27.737 22.825 17.621
129 HB3 LEU 17 3HB LEU 17 29.365 23.314 17.988
130 HG LEU 17 HG LEU 17 28.631 22.024 15.355
131 HD11 LEU 17 1HD1 LEU 17 28.599 24.335 14.446
132 HD12 LEU 17 2HD1 LEU 17 27.281 24.023 15.578
133 HD13 LEU 17 3HD1 LEU 17 28.699 24.966 16.100
134 HD21 LEU 17 3HD2 LEU 17 31.083 22.105 15.939
135 HD22 LEU 17 1HD2 LEU 17 30.678 23.162 14.569
136 HD23 LEU 17 2HD2 LEU 17 30.937 23.844 16.189
137 H LEU 18 H LEU 18 27.798 21.952 20.093
138 HA LEU 18 HA LEU 18 25.642 19.885 19.983
139 HB2 LEU 18 2HB LEU 18 26.652 21.653 22.238
140 HB3 LEU 18 3HB LEU 18 25.153 20.724 22.319
141 HG LEU 18 HG LEU 18 27.944 19.554 22.005
142 HD11 LEU 18 1HD1 LEU 18 27.531 18.742 24.301
143 HD12 LEU 18 2HD1 LEU 18 27.470 20.506 24.229
144 HD13 LEU 18 3HD1 LEU 18 25.962 19.565 24.325
145 HD21 LEU 18 3HD2 LEU 18 26.722 17.379 22.532
146 HD22 LEU 18 1HD2 LEU 18 25.201 18.226 22.176
147 HD23 LEU 18 2HD2 LEU 18 26.460 18.029 20.923
148 H GLY 19 H GLY 19 23.588 20.461 19.956
149 HA2 GLY 19 3HA GLY 19 22.893 23.269 19.217
150 HA3 GLY 19 3HA GLY 19 21.927 21.839 18.891
151 H LYS 20 H LYS 20 21.582 24.512 20.431
152 HA LYS 20 HA LYS 20 20.162 23.440 22.831
153 HB2 LYS 20 2HB LYS 20 22.037 25.852 22.847
154 HB3 LYS 20 3HB LYS 20 20.917 25.422 24.125
155 HG2 LYS 20 2HG LYS 20 22.642 24.404 25.059
156 HG3 LYS 20 3HG LYS 20 22.278 23.068 23.969
157 HD2 LYS 20 2HD LYS 20 23.959 23.994 22.343
158 HD3 LYS 20 3HD LYS 20 24.292 25.310 23.478
159 HE2 LYS 20 2HE LYS 20 24.781 22.343 23.984
160 HE3 LYS 20 3HE LYS 20 26.016 23.555 23.591
161 HZ1 LYS 20 3HZ LYS 20 24.369 23.415 26.041
162 HZ2 LYS 20 1HZ LYS 20 25.993 23.237 25.937
163 HZ3 LYS 20 2HZ LYS 20 25.330 24.719 25.661
164 H CYS 21 H CYS 21 18.129 24.238 23.013
165 HA CYS 21 HA CYS 21 17.390 26.504 21.250
166 HB2 CYS 21 2HB CYS 21 15.134 25.888 21.477
167 HB3 CYS 21 3HB CYS 21 16.084 24.479 21.038
168 H ILE 22 H ILE 22 16.287 28.267 21.757
169 HA ILE 22 HA ILE 22 16.823 29.394 24.431
170 HB ILE 22 HB ILE 22 15.683 30.721 21.945
171 HG12 ILE 22 2HG1 ILE 22 18.565 30.524 22.932
172 HG13 ILE 22 3HG1 ILE 22 17.908 29.777 21.473
173 HG21 ILE 22 1HG2 ILE 22 15.212 31.984 24.023
174 HG22 ILE 22 2HG2 ILE 22 16.924 31.881 24.486
175 HG23 ILE 22 3HG2 ILE 22 16.410 32.826 23.072
176 HD11 ILE 22 3HD1 ILE 22 19.067 31.655 20.717
177 HD12 ILE 22 1HD1 ILE 22 17.349 32.095 20.634
178 HD13 ILE 22 2HD1 ILE 22 18.369 32.720 21.950
179 H GLY 23 H GLY 23 14.039 28.455 22.489
180 HA2 GLY 23 3HA GLY 23 12.398 28.002 24.778
181 HA3 GLY 23 3HA GLY 23 11.881 29.498 23.977
182 H GLU 24 H GLU 24 12.327 28.864 21.296
183 HA GLU 24 HA GLU 24 11.025 26.208 20.775
184 HB2 GLU 24 2HB GLU 24 10.475 28.742 19.198
185 HB3 GLU 24 3HB GLU 24 9.794 27.148 18.901
186 HG2 GLU 24 2HG GLU 24 9.270 28.903 21.346
187 HG3 GLU 24 3HG GLU 24 8.212 28.718 19.965
188 H GLU 25 H GLU 25 12.956 28.904 19.338
189 HA GLU 25 HA GLU 25 14.032 27.085 17.297
190 HB2 GLU 25 2HB GLU 25 14.373 30.041 17.839
191 HB3 GLU 25 3HB GLU 25 15.311 29.207 16.608
192 HG2 GLU 25 2HG GLU 25 12.268 29.146 16.606
193 HG3 GLU 25 3HG GLU 25 13.202 30.439 15.853
194 H CYS 26 H CYS 26 16.268 26.874 16.814
195 HA CYS 26 HA CYS 26 17.900 26.508 19.276
196 HB2 CYS 26 2HB CYS 26 16.785 24.478 18.323
197 HB3 CYS 26 3HB CYS 26 17.671 24.752 16.827
198 H LYS 27 H LYS 27 19.949 26.987 19.292
199 HA LYS 27 HA LYS 27 21.485 27.650 16.810
200 HB2 LYS 27 2HB LYS 27 21.635 28.966 19.551
201 HB3 LYS 27 3HB LYS 27 22.767 29.280 18.241
202 HG2 LYS 27 2HG LYS 27 19.779 29.906 18.149
203 HG3 LYS 27 3HG LYS 27 21.065 31.061 18.499
204 HD2 LYS 27 2HD LYS 27 22.053 30.724 16.281
205 HD3 LYS 27 3HD LYS 27 20.814 29.502 15.897
206 HE2 LYS 27 2HE LYS 27 19.048 31.111 16.034
207 HE3 LYS 27 3HE LYS 27 20.129 32.363 16.659
208 HZ1 LYS 27 3HZ LYS 27 20.498 31.152 13.974
209 HZ2 LYS 27 1HZ LYS 27 19.620 32.532 14.238
210 HZ3 LYS 27 2HZ LYS 27 21.230 32.487 14.595
211 H CYS 28 H CYS 28 24.049 27.579 17.703
212 HA CYS 28 HA CYS 28 24.346 25.097 19.221
213 HB2 CYS 28 2HB CYS 28 25.463 25.399 16.416
214 HB3 CYS 28 3HB CYS 28 25.800 24.091 17.536
215 H VAL 29 H VAL 29 26.451 24.674 19.871
216 HA VAL 29 HA VAL 29 28.572 26.658 19.441
217 HB VAL 29 HB VAL 29 28.854 26.850 21.965
218 HG11 VAL 29 1HG1 VAL 29 27.525 28.810 22.182
219 HG12 VAL 29 2HG1 VAL 29 28.124 28.736 20.513
220 HG13 VAL 29 3HG1 VAL 29 26.437 28.298 20.886
221 HG21 VAL 29 3HG2 VAL 29 26.937 26.684 23.401
222 HG22 VAL 29 1HG2 VAL 29 25.892 26.215 22.050
223 HG23 VAL 29 2HG2 VAL 29 27.178 25.116 22.605
224 HA PRO 30 HA PRO 30 31.214 23.129 20.013
225 HB2 PRO 30 2HB PRO 30 32.886 24.918 21.786
226 HB3 PRO 30 3HB PRO 30 33.417 23.872 20.424
227 HG2 PRO 30 2HG PRO 30 33.202 26.523 20.046
228 HG3 PRO 30 3HG PRO 30 32.555 25.398 18.807
229 HD2 PRO 30 2HD PRO 30 31.042 26.854 20.984
230 HD3 PRO 30 3HD PRO 30 30.647 26.683 19.251
231 H TYR 31 H TYR 31 32.025 21.587 21.617
232 HA TYR 31 HA TYR 31 30.501 21.228 24.026
233 HB2 TYR 31 2HB TYR 31 33.180 20.075 23.147
234 HB3 TYR 31 3HB TYR 31 32.381 19.629 24.644
235 HD1 TYR 31 HD2 TYR 31 30.189 18.427 24.638
236 HD2 TYR 31 HD1 TYR 31 32.448 19.141 21.038
237 HE1 TYR 31 HE2 TYR 31 28.883 16.646 23.449
238 HE2 TYR 31 HE1 TYR 31 31.113 17.445 19.847
239 HH TYR 31 HH TYR 31 29.525 15.862 20.009
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 5.587 27.621 22.242
2 H2 ALA 1 H2 ALA 1 5.265 26.247 21.370
3 H3 ALA 1 H3 ALA 1 6.558 27.204 20.984
4 HA ALA 1 HA ALA 1 7.584 26.762 23.091
5 HB1 ALA 1 3HB ALA 1 5.560 26.238 24.355
6 HB2 ALA 1 1HB ALA 1 5.307 24.763 23.381
7 HB3 ALA 1 2HB ALA 1 6.707 24.904 24.460
8 H PHE 2 H PHE 2 9.132 25.149 23.292
9 HA PHE 2 HA PHE 2 10.584 23.588 22.738
10 HB2 PHE 2 2HB PHE 2 8.514 22.179 22.941
11 HB3 PHE 2 3HB PHE 2 8.421 22.189 21.191
12 HD1 PHE 2 HD1 PHE 2 10.048 20.949 19.811
13 HD2 PHE 2 HD2 PHE 2 10.161 20.832 24.123
14 HE1 PHE 2 HE1 PHE 2 11.445 18.895 19.721
15 HE2 PHE 2 HE2 PHE 2 11.549 18.775 24.027
16 HZ PHE 2 HZ PHE 2 12.176 17.795 21.825
17 H CYS 3 H CYS 3 12.205 23.056 21.318
18 HA CYS 3 HA CYS 3 12.333 24.913 19.094
19 HB2 CYS 3 2HB CYS 3 14.265 23.545 20.832
20 HB3 CYS 3 3HB CYS 3 14.800 24.043 19.219
21 H ASN 4 H ASN 4 13.531 24.576 17.123
22 HA ASN 4 HA ASN 4 12.668 22.262 15.580
23 HB2 ASN 4 2HB ASN 4 13.996 23.277 13.761
24 HB3 ASN 4 3HB ASN 4 12.786 24.319 14.435
25 HD21 ASN 4 1HD2 ASN 4 14.159 25.913 13.178
26 HD22 ASN 4 2HD2 ASN 4 15.454 26.697 14.103
27 H LEU 5 H LEU 5 13.746 21.024 17.549
28 HA LEU 5 HA LEU 5 16.587 20.946 17.640
29 HB2 LEU 5 2HB LEU 5 14.487 19.159 18.923
30 HB3 LEU 5 3HB LEU 5 16.204 19.160 19.335
31 HG LEU 5 HG LEU 5 14.280 21.510 19.675
32 HD11 LEU 5 1HD1 LEU 5 14.055 19.708 21.341
33 HD12 LEU 5 2HD1 LEU 5 15.800 19.767 21.654
34 HD13 LEU 5 3HD1 LEU 5 14.781 21.153 22.065
35 HD21 LEU 5 3HD2 LEU 5 16.292 22.518 20.915
36 HD22 LEU 5 1HD2 LEU 5 17.284 21.255 20.185
37 HD23 LEU 5 2HD2 LEU 5 16.472 22.459 19.158
38 H ARG 6 H ARG 6 14.376 18.792 15.975
39 HA ARG 6 HA ARG 6 16.417 16.852 15.173
40 HB2 ARG 6 2HB ARG 6 13.923 17.792 13.703
41 HB3 ARG 6 3HB ARG 6 14.948 16.473 13.167
42 HG2 ARG 6 2HG ARG 6 13.274 16.513 15.707
43 HG3 ARG 6 3HG ARG 6 12.961 15.611 14.243
44 HD2 ARG 6 2HD ARG 6 13.843 13.958 15.619
45 HD3 ARG 6 3HD ARG 6 15.220 14.416 14.631
46 HE ARG 6 HE ARG 6 16.328 15.027 16.583
47 HH11 ARG 6 1HH1 ARG 6 12.916 14.937 17.476
48 HH12 ARG 6 2HH1 ARG 6 13.206 15.755 18.980
49 HH21 ARG 6 1HH2 ARG 6 16.650 15.841 18.484
50 HH22 ARG 6 2HH2 ARG 6 15.302 16.243 19.570
51 H ARG 7 H ARG 7 15.258 19.841 13.500
52 HA ARG 7 HA ARG 7 17.281 19.697 11.449
53 HB2 ARG 7 2HB ARG 7 15.446 20.987 10.956
54 HB3 ARG 7 3HB ARG 7 15.352 21.754 12.518
55 HG2 ARG 7 2HG ARG 7 17.711 22.389 10.736
56 HG3 ARG 7 3HG ARG 7 16.138 23.123 10.402
57 HD2 ARG 7 2HD ARG 7 16.071 24.352 12.316
58 HD3 ARG 7 3HD ARG 7 16.983 23.195 13.264
59 HE ARG 7 HE ARG 7 18.568 24.526 11.170
60 HH11 ARG 7 1HH1 ARG 7 17.449 25.123 14.454
61 HH12 ARG 7 2HH1 ARG 7 18.895 26.039 14.820
62 HH21 ARG 7 1HH2 ARG 7 20.170 25.730 11.634
63 HH22 ARG 7 2HH2 ARG 7 20.439 26.430 13.221
64 H CYS 8 H CYS 8 17.274 21.226 14.608
65 HA CYS 8 HA CYS 8 19.751 22.606 14.299
66 HB2 CYS 8 2HB CYS 8 17.919 23.205 15.876
67 HB3 CYS 8 3HB CYS 8 18.344 21.801 16.853
68 H GLU 9 H GLU 9 19.122 19.640 16.370
69 HA GLU 9 HA GLU 9 21.885 19.437 17.104
70 HB2 GLU 9 2HB GLU 9 19.676 17.361 17.087
71 HB3 GLU 9 3HB GLU 9 21.273 17.137 17.814
72 HG2 GLU 9 2HG GLU 9 20.852 19.093 19.309
73 HG3 GLU 9 3HG GLU 9 19.235 19.255 18.638
74 H LEU 10 H LEU 10 20.168 18.196 14.257
75 HA LEU 10 HA LEU 10 22.433 16.607 13.293
76 HB2 LEU 10 2HB LEU 10 19.937 17.677 11.916
77 HB3 LEU 10 3HB LEU 10 21.123 16.636 11.145
78 HG LEU 10 HG LEU 10 19.429 15.840 13.556
79 HD11 LEU 10 1HD1 LEU 10 18.132 16.080 11.463
80 HD12 LEU 10 2HD1 LEU 10 19.280 15.016 10.622
81 HD13 LEU 10 3HD1 LEU 10 18.267 14.386 11.947
82 HD21 LEU 10 3HD2 LEU 10 21.538 14.608 13.574
83 HD22 LEU 10 1HD2 LEU 10 20.242 13.546 13.034
84 HD23 LEU 10 2HD2 LEU 10 21.365 14.238 11.839
85 H SER 11 H SER 11 21.454 19.982 13.056
86 HA SER 11 HA SER 11 23.394 20.714 10.979
87 HB2 SER 11 2HB SER 11 21.789 22.370 12.960
88 HB3 SER 11 3HB SER 11 22.897 23.048 11.763
89 HG SER 11 HG SER 11 20.523 21.573 11.364
90 H CYS 12 H CYS 12 23.657 19.998 14.356
91 HA CYS 12 HA CYS 12 26.202 21.465 14.644
92 HB2 CYS 12 2HB CYS 12 24.838 19.631 16.628
93 HB3 CYS 12 3HB CYS 12 26.107 20.800 16.933
94 H ARG 13 H ARG 13 25.385 18.538 13.263
95 HA ARG 13 HA ARG 13 27.145 16.751 14.655
96 HB2 ARG 13 2HB ARG 13 24.878 16.336 13.524
97 HB3 ARG 13 3HB ARG 13 25.765 16.241 11.996
98 HG2 ARG 13 2HG ARG 13 27.061 14.307 12.889
99 HG3 ARG 13 3HG ARG 13 26.236 14.483 14.453
100 HD2 ARG 13 2HD ARG 13 24.034 14.166 13.247
101 HD3 ARG 13 3HD ARG 13 24.954 13.793 11.778
102 HE ARG 13 HE ARG 13 25.945 12.053 13.734
103 HH11 ARG 13 1HH1 ARG 13 22.919 12.451 12.018
104 HH12 ARG 13 2HH1 ARG 13 22.241 10.973 12.664
105 HH21 ARG 13 1HH2 ARG 13 25.252 10.026 14.086
106 HH22 ARG 13 2HH2 ARG 13 23.609 9.528 13.669
107 H SER 14 H SER 14 27.531 18.383 11.485
108 HA SER 14 HA SER 14 29.805 16.915 10.603
109 HB2 SER 14 2HB SER 14 29.011 19.792 10.027
110 HB3 SER 14 3HB SER 14 30.229 18.871 9.123
111 HG SER 14 HG SER 14 28.083 18.976 8.203
112 H LEU 15 H LEU 15 29.707 19.920 12.582
113 HA LEU 15 HA LEU 15 32.643 19.834 12.988
114 HB2 LEU 15 2HB LEU 15 30.382 21.512 14.091
115 HB3 LEU 15 3HB LEU 15 32.057 21.677 14.647
116 HG LEU 15 HG LEU 15 31.078 22.160 11.818
117 HD11 LEU 15 1HD1 LEU 15 31.927 24.124 13.984
118 HD12 LEU 15 2HD1 LEU 15 31.474 24.533 12.316
119 HD13 LEU 15 3HD1 LEU 15 30.262 23.854 13.409
120 HD21 LEU 15 3HD2 LEU 15 33.318 23.222 11.507
121 HD22 LEU 15 1HD2 LEU 15 33.800 22.621 13.107
122 HD23 LEU 15 2HD2 LEU 15 33.432 21.486 11.786
123 H GLY 16 H GLY 16 29.771 18.623 14.616
124 HA2 GLY 16 3HA GLY 16 29.629 17.104 16.355
125 HA3 GLY 16 3HA GLY 16 31.376 17.181 16.619
126 H LEU 17 H LEU 17 29.129 19.930 16.503
127 HA LEU 17 HA LEU 17 29.879 20.830 19.230
128 HB2 LEU 17 2HB LEU 17 27.807 22.109 17.462
129 HB3 LEU 17 3HB LEU 17 28.763 22.839 18.742
130 HG LEU 17 HG LEU 17 29.613 22.100 15.951
131 HD11 LEU 17 1HD1 LEU 17 29.386 24.757 17.404
132 HD12 LEU 17 2HD1 LEU 17 30.057 24.545 15.774
133 HD13 LEU 17 3HD1 LEU 17 28.368 24.155 16.069
134 HD21 LEU 17 3HD2 LEU 17 31.813 23.107 16.406
135 HD22 LEU 17 1HD2 LEU 17 31.388 23.272 18.132
136 HD23 LEU 17 2HD2 LEU 17 31.566 21.666 17.394
137 H LEU 18 H LEU 18 27.740 21.814 20.404
138 HA LEU 18 HA LEU 18 25.587 19.735 20.395
139 HB2 LEU 18 2HB LEU 18 26.573 21.504 22.658
140 HB3 LEU 18 3HB LEU 18 25.076 20.566 22.716
141 HG LEU 18 HG LEU 18 27.861 19.381 22.360
142 HD11 LEU 18 1HD1 LEU 18 27.464 20.361 24.598
143 HD12 LEU 18 2HD1 LEU 18 25.978 19.398 24.757
144 HD13 LEU 18 3HD1 LEU 18 27.559 18.595 24.663
145 HD21 LEU 18 3HD2 LEU 18 25.145 18.041 22.763
146 HD22 LEU 18 1HD2 LEU 18 26.204 17.886 21.341
147 HD23 LEU 18 2HD2 LEU 18 26.715 17.219 22.886
148 H GLY 19 H GLY 19 23.564 20.343 20.360
149 HA2 GLY 19 3HA GLY 19 22.993 23.090 19.299
150 HA3 GLY 19 3HA GLY 19 22.077 21.636 18.950
151 H LYS 20 H LYS 20 22.097 24.486 20.736
152 HA LYS 20 HA LYS 20 20.230 23.462 22.856
153 HB2 LYS 20 2HB LYS 20 22.088 25.866 22.899
154 HB3 LYS 20 3HB LYS 20 20.959 25.406 24.185
155 HG2 LYS 20 2HG LYS 20 22.167 23.262 24.517
156 HG3 LYS 20 3HG LYS 20 23.311 23.711 23.228
157 HD2 LYS 20 2HD LYS 20 23.854 25.795 24.515
158 HD3 LYS 20 3HD LYS 20 22.870 25.179 25.858
159 HE2 LYS 20 2HE LYS 20 24.329 23.201 26.070
160 HE3 LYS 20 3HE LYS 20 25.239 23.701 24.626
161 HZ1 LYS 20 3HZ LYS 20 25.167 25.172 27.211
162 HZ2 LYS 20 1HZ LYS 20 26.466 24.387 26.528
163 HZ3 LYS 20 2HZ LYS 20 25.855 25.735 25.840
164 H CYS 21 H CYS 21 18.402 24.461 23.315
165 HA CYS 21 HA CYS 21 17.067 25.951 21.216
166 HB2 CYS 21 2HB CYS 21 16.055 24.139 22.597
167 HB3 CYS 21 3HB CYS 21 16.184 25.163 24.015
168 H ILE 22 H ILE 22 16.520 28.041 21.117
169 HA ILE 22 HA ILE 22 17.310 29.873 23.331
170 HB ILE 22 HB ILE 22 17.300 30.462 20.341
171 HG12 ILE 22 2HG1 ILE 22 19.088 28.847 20.719
172 HG13 ILE 22 3HG1 ILE 22 19.712 30.428 20.302
173 HG21 ILE 22 1HG2 ILE 22 18.653 32.462 20.996
174 HG22 ILE 22 2HG2 ILE 22 17.005 32.495 21.602
175 HG23 ILE 22 3HG2 ILE 22 18.335 32.083 22.702
176 HD11 ILE 22 3HD1 ILE 22 21.055 29.326 22.051
177 HD12 ILE 22 1HD1 ILE 22 20.368 30.851 22.623
178 HD13 ILE 22 2HD1 ILE 22 19.656 29.307 23.137
179 H GLY 23 H GLY 23 14.880 29.244 20.860
180 HA2 GLY 23 3HA GLY 23 12.682 30.035 22.411
181 HA3 GLY 23 3HA GLY 23 13.204 31.506 21.558
182 H GLU 24 H GLU 24 12.253 28.183 21.156
183 HA GLU 24 HA GLU 24 11.430 26.873 19.482
184 HB2 GLU 24 2HB GLU 24 10.795 29.237 17.757
185 HB3 GLU 24 3HB GLU 24 10.015 27.669 17.780
186 HG2 GLU 24 2HG GLU 24 9.803 29.715 20.055
187 HG3 GLU 24 3HG GLU 24 8.745 29.645 18.695
188 H GLU 25 H GLU 25 13.489 29.489 18.367
189 HA GLU 25 HA GLU 25 14.871 27.917 16.316
190 HB2 GLU 25 2HB GLU 25 14.485 30.421 16.216
191 HB3 GLU 25 3HB GLU 25 15.522 30.602 17.627
192 HG2 GLU 25 2HG GLU 25 16.788 31.117 15.637
193 HG3 GLU 25 3HG GLU 25 17.427 29.622 16.315
194 H CYS 26 H CYS 26 16.967 27.117 16.527
195 HA CYS 26 HA CYS 26 18.216 26.993 19.230
196 HB2 CYS 26 2HB CYS 26 16.938 25.030 19.122
197 HB3 CYS 26 3HB CYS 26 17.309 24.755 17.426
198 H LYS 27 H LYS 27 20.465 26.677 19.247
199 HA LYS 27 HA LYS 27 21.924 27.161 16.666
200 HB2 LYS 27 2HB LYS 27 22.381 28.649 19.288
201 HB3 LYS 27 3HB LYS 27 23.298 28.868 17.799
202 HG2 LYS 27 2HG LYS 27 20.343 29.538 18.176
203 HG3 LYS 27 3HG LYS 27 21.679 30.680 18.219
204 HD2 LYS 27 2HD LYS 27 22.217 30.248 15.857
205 HD3 LYS 27 3HD LYS 27 20.921 29.028 15.776
206 HE2 LYS 27 2HE LYS 27 19.246 30.748 16.423
207 HE3 LYS 27 3HE LYS 27 20.528 31.959 16.476
208 HZ1 LYS 27 3HZ LYS 27 20.888 31.640 14.119
209 HZ2 LYS 27 1HZ LYS 27 19.764 30.432 14.039
210 HZ3 LYS 27 2HZ LYS 27 19.327 32.001 14.378
211 H CYS 28 H CYS 28 24.297 26.784 16.849
212 HA CYS 28 HA CYS 28 24.785 24.452 18.617
213 HB2 CYS 28 2HB CYS 28 26.201 25.013 16.049
214 HB3 CYS 28 3HB CYS 28 26.314 23.606 17.067
215 H VAL 29 H VAL 29 26.565 24.360 19.820
216 HA VAL 29 HA VAL 29 28.411 26.694 19.889
217 HB VAL 29 HB VAL 29 27.684 26.960 22.282
218 HG11 VAL 29 1HG1 VAL 29 25.442 27.559 20.327
219 HG12 VAL 29 2HG1 VAL 29 25.824 28.379 21.848
220 HG13 VAL 29 3HG1 VAL 29 26.941 28.511 20.484
221 HG21 VAL 29 3HG2 VAL 29 25.535 26.199 23.020
222 HG22 VAL 29 1HG2 VAL 29 25.215 25.361 21.495
223 HG23 VAL 29 2HG2 VAL 29 26.506 24.787 22.578
224 HA PRO 30 HA PRO 30 31.259 23.766 21.574
225 HB2 PRO 30 2HB PRO 30 33.152 25.334 22.732
226 HB3 PRO 30 3HB PRO 30 32.839 25.363 20.971
227 HG2 PRO 30 2HG PRO 30 31.732 27.248 23.088
228 HG3 PRO 30 3HG PRO 30 32.548 27.676 21.552
229 HD2 PRO 30 2HD PRO 30 29.831 27.585 21.772
230 HD3 PRO 30 3HD PRO 30 30.666 27.080 20.272
231 H TYR 31 H TYR 31 32.186 22.855 23.492
232 HA TYR 31 HA TYR 31 30.282 22.238 25.375
233 HB2 TYR 31 2HB TYR 31 33.283 21.928 25.679
234 HB3 TYR 31 3HB TYR 31 32.069 21.047 26.593
235 HD1 TYR 31 HD1 TYR 31 30.101 20.168 24.623
236 HD2 TYR 31 HD2 TYR 31 34.399 20.378 24.315
237 HE1 TYR 31 HE1 TYR 31 30.062 18.411 22.868
238 HE2 TYR 31 HE2 TYR 31 34.353 18.608 22.556
239 HH TYR 31 HH TYR 31 33.030 17.251 21.250
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 14.996 23.702 25.357
2 H2 ALA 1 H2 ALA 1 14.982 25.242 25.938
3 H3 ALA 1 H3 ALA 1 15.511 24.958 24.401
4 HA ALA 1 HA ALA 1 12.798 24.694 25.466
5 HB1 ALA 1 3HB ALA 1 13.791 26.448 23.186
6 HB2 ALA 1 1HB ALA 1 12.155 26.399 23.866
7 HB3 ALA 1 2HB ALA 1 13.500 27.008 24.850
8 H PHE 2 H PHE 2 11.221 23.680 24.225
9 HA PHE 2 HA PHE 2 12.309 21.432 22.754
10 HB2 PHE 2 2HB PHE 2 10.621 21.243 24.526
11 HB3 PHE 2 3HB PHE 2 9.475 22.144 23.547
12 HD1 PHE 2 HD1 PHE 2 11.776 19.169 23.038
13 HD2 PHE 2 HD2 PHE 2 7.797 20.796 22.625
14 HE1 PHE 2 HE1 PHE 2 10.999 17.023 22.071
15 HE2 PHE 2 HE2 PHE 2 7.028 18.639 21.650
16 HZ PHE 2 HZ PHE 2 8.635 16.769 21.345
17 H CYS 3 H CYS 3 13.132 22.739 20.946
18 HA CYS 3 HA CYS 3 11.186 23.650 18.969
19 HB2 CYS 3 2HB CYS 3 14.177 23.888 19.031
20 HB3 CYS 3 3HB CYS 3 13.107 24.721 17.905
21 H ASN 4 H ASN 4 12.479 23.303 16.495
22 HA ASN 4 HA ASN 4 12.032 20.460 15.933
23 HB2 ASN 4 2HB ASN 4 11.432 22.214 14.284
24 HB3 ASN 4 3HB ASN 4 13.140 22.641 14.135
25 HD21 ASN 4 2HD2 ASN 4 12.774 22.149 11.834
26 HD22 ASN 4 1HD2 ASN 4 12.853 20.464 11.303
27 H LEU 5 H LEU 5 13.601 20.057 17.755
28 HA LEU 5 HA LEU 5 16.430 20.531 17.393
29 HB2 LEU 5 2HB LEU 5 14.935 18.705 19.306
30 HB3 LEU 5 3HB LEU 5 16.614 19.221 19.464
31 HG LEU 5 HG LEU 5 14.184 21.087 19.586
32 HD11 LEU 5 1HD1 LEU 5 16.042 20.013 21.724
33 HD12 LEU 5 2HD1 LEU 5 14.807 21.255 21.980
34 HD13 LEU 5 3HD1 LEU 5 14.318 19.622 21.510
35 HD21 LEU 5 3HD2 LEU 5 16.107 22.339 18.752
36 HD22 LEU 5 1HD2 LEU 5 15.840 22.733 20.462
37 HD23 LEU 5 2HD2 LEU 5 17.143 21.625 20.010
38 H ARG 6 H ARG 6 14.273 17.902 16.608
39 HA ARG 6 HA ARG 6 15.798 15.825 15.575
40 HB2 ARG 6 2HB ARG 6 13.224 16.454 15.289
41 HB3 ARG 6 3HB ARG 6 13.767 17.327 13.868
42 HG2 ARG 6 2HG ARG 6 13.261 15.399 12.828
43 HG3 ARG 6 3HG ARG 6 14.899 14.958 13.264
44 HD2 ARG 6 2HD ARG 6 12.323 14.140 14.661
45 HD3 ARG 6 3HD ARG 6 13.363 13.128 13.694
46 HE ARG 6 HE ARG 6 14.966 12.986 15.421
47 HH11 ARG 6 1HH2 ARG 6 12.229 14.951 16.538
48 HH12 ARG 6 2HH2 ARG 6 12.622 14.639 18.198
49 HH21 ARG 6 1HH1 ARG 6 15.288 12.606 17.526
50 HH22 ARG 6 2HH1 ARG 6 14.525 13.667 18.725
51 H ARG 7 H ARG 7 15.480 19.076 14.172
52 HA ARG 7 HA ARG 7 17.414 18.501 11.986
53 HB2 ARG 7 2HB ARG 7 15.252 19.650 11.529
54 HB3 ARG 7 3HB ARG 7 15.741 20.963 12.610
55 HG2 ARG 7 2HG ARG 7 17.757 21.343 11.090
56 HG3 ARG 7 3HG ARG 7 17.089 20.123 10.012
57 HD2 ARG 7 2HD ARG 7 16.359 22.240 9.149
58 HD3 ARG 7 3HD ARG 7 14.957 21.469 9.919
59 HE ARG 7 HE ARG 7 14.784 23.302 11.280
60 HH11 ARG 7 1HH1 ARG 7 18.172 23.462 10.181
61 HH12 ARG 7 2HH1 ARG 7 18.479 24.745 11.343
62 HH21 ARG 7 1HH2 ARG 7 15.389 25.000 12.626
63 HH22 ARG 7 2HH2 ARG 7 17.071 25.504 12.593
64 H CYS 8 H CYS 8 17.034 20.900 14.691
65 HA CYS 8 HA CYS 8 19.340 22.290 14.134
66 HB2 CYS 8 2HB CYS 8 18.057 21.842 16.851
67 HB3 CYS 8 3HB CYS 8 19.119 23.146 16.372
68 H GLU 9 H GLU 9 19.121 19.386 16.318
69 HA GLU 9 HA GLU 9 21.897 19.510 17.121
70 HB2 GLU 9 2HB GLU 9 19.939 17.183 16.954
71 HB3 GLU 9 3HB GLU 9 21.547 17.113 17.695
72 HG2 GLU 9 2HG GLU 9 20.886 18.903 19.284
73 HG3 GLU 9 3HG GLU 9 19.261 18.912 18.599
74 H LEU 10 H LEU 10 20.360 17.919 14.307
75 HA LEU 10 HA LEU 10 22.847 16.602 13.521
76 HB2 LEU 10 2HB LEU 10 20.222 16.968 12.030
77 HB3 LEU 10 3HB LEU 10 21.570 15.959 11.507
78 HG LEU 10 HG LEU 10 19.860 15.535 13.998
79 HD11 LEU 10 1HD1 LEU 10 19.220 13.442 12.824
80 HD12 LEU 10 2HD1 LEU 10 18.767 14.891 11.912
81 HD13 LEU 10 3HD1 LEU 10 20.189 13.939 11.423
82 HD21 LEU 10 3HD2 LEU 10 21.109 13.388 14.237
83 HD22 LEU 10 1HD2 LEU 10 22.248 13.935 12.987
84 HD23 LEU 10 2HD2 LEU 10 22.114 14.801 14.542
85 H SER 11 H SER 11 21.311 19.654 12.763
86 HA SER 11 HA SER 11 22.843 20.386 10.488
87 HB2 SER 11 2HB SER 11 22.075 22.560 10.817
88 HB3 SER 11 3HB SER 11 20.799 21.533 11.484
89 HG SER 11 HG SER 11 21.785 21.994 13.612
90 H CYS 12 H CYS 12 23.866 20.081 13.709
91 HA CYS 12 HA CYS 12 26.459 21.459 13.200
92 HB2 CYS 12 2HB CYS 12 24.848 21.091 15.739
93 HB3 CYS 12 3HB CYS 12 26.500 21.710 15.684
94 H ARG 13 H ARG 13 25.419 18.446 12.963
95 HA ARG 13 HA ARG 13 27.170 16.870 14.620
96 HB2 ARG 13 2HB ARG 13 25.044 16.100 13.668
97 HB3 ARG 13 3HB ARG 13 25.672 16.285 12.049
98 HG2 ARG 13 2HG ARG 13 25.571 13.983 12.513
99 HG3 ARG 13 3HG ARG 13 27.256 14.439 12.415
100 HD2 ARG 13 2HD ARG 13 26.993 12.864 14.219
101 HD3 ARG 13 3HD ARG 13 27.365 14.430 14.927
102 HE ARG 13 HE ARG 13 25.195 14.589 15.815
103 HH11 ARG 13 1HH1 ARG 13 25.223 11.627 13.810
104 HH12 ARG 13 2HH1 ARG 13 23.711 11.129 14.517
105 HH21 ARG 13 1HH2 ARG 13 23.405 13.604 16.786
106 HH22 ARG 13 2HH2 ARG 13 22.822 12.103 16.081
107 H SER 14 H SER 14 27.846 18.497 11.536
108 HA SER 14 HA SER 14 30.108 16.911 10.791
109 HB2 SER 14 2HB SER 14 29.823 19.866 10.187
110 HB3 SER 14 3HB SER 14 30.708 18.650 9.270
111 HG SER 14 HG SER 14 28.845 17.787 8.555
112 H LEU 15 H LEU 15 29.978 19.985 12.702
113 HA LEU 15 HA LEU 15 32.848 19.642 13.430
114 HB2 LEU 15 2HB LEU 15 30.836 21.794 14.123
115 HB3 LEU 15 3HB LEU 15 32.545 21.803 14.562
116 HG LEU 15 HG LEU 15 31.363 22.008 11.773
117 HD11 LEU 15 1HD1 LEU 15 32.375 24.255 11.811
118 HD12 LEU 15 2HD1 LEU 15 31.205 24.053 13.125
119 HD13 LEU 15 3HD1 LEU 15 32.949 23.977 13.469
120 HD21 LEU 15 3HD2 LEU 15 33.698 22.422 11.009
121 HD22 LEU 15 1HD2 LEU 15 34.285 21.951 12.617
122 HD23 LEU 15 2HD2 LEU 15 33.461 20.767 11.579
123 H GLY 16 H GLY 16 29.860 18.575 14.660
124 HA2 GLY 16 3HA GLY 16 29.381 17.352 16.563
125 HA3 GLY 16 3HA GLY 16 31.103 17.392 17.012
126 H LEU 17 H LEU 17 28.955 20.183 16.401
127 HA LEU 17 HA LEU 17 29.586 21.295 19.074
128 HB2 LEU 17 2HB LEU 17 27.578 22.530 17.237
129 HB3 LEU 17 3HB LEU 17 28.633 23.293 18.398
130 HG LEU 17 HG LEU 17 29.409 22.198 15.680
131 HD11 LEU 17 1HD1 LEU 17 29.216 25.042 16.721
132 HD12 LEU 17 2HD1 LEU 17 29.780 24.557 15.107
133 HD13 LEU 17 3HD1 LEU 17 28.100 24.255 15.575
134 HD21 LEU 17 3HD2 LEU 17 31.605 23.319 16.052
135 HD22 LEU 17 1HD2 LEU 17 31.132 23.669 17.730
136 HD23 LEU 17 2HD2 LEU 17 31.350 21.989 17.187
137 H LEU 18 H LEU 18 27.872 21.879 20.580
138 HA LEU 18 HA LEU 18 25.597 19.987 20.674
139 HB2 LEU 18 2HB LEU 18 26.901 21.946 22.557
140 HB3 LEU 18 3HB LEU 18 25.190 21.579 22.771
141 HG LEU 18 HG LEU 18 25.581 19.239 23.048
142 HD11 LEU 18 1HD1 LEU 18 28.532 19.755 22.525
143 HD12 LEU 18 2HD1 LEU 18 27.818 18.234 23.139
144 HD13 LEU 18 3HD1 LEU 18 27.440 18.780 21.515
145 HD21 LEU 18 3HD2 LEU 18 25.879 20.675 25.005
146 HD22 LEU 18 1HD2 LEU 18 27.020 19.319 25.095
147 HD23 LEU 18 2HD2 LEU 18 27.586 20.929 24.606
148 H GLY 19 H GLY 19 23.779 20.428 19.889
149 HA2 GLY 19 3HA GLY 19 23.077 23.181 18.902
150 HA3 GLY 19 3HA GLY 19 22.346 21.681 18.326
151 H LYS 20 H LYS 20 21.762 24.338 20.141
152 HA LYS 20 HA LYS 20 19.594 23.045 21.758
153 HB2 LYS 20 2HB LYS 20 21.647 25.158 22.527
154 HB3 LYS 20 3HB LYS 20 20.114 25.011 23.380
155 HG2 LYS 20 2HG LYS 20 20.585 22.747 24.075
156 HG3 LYS 20 3HG LYS 20 22.074 22.695 23.105
157 HD2 LYS 20 2HD LYS 20 23.111 24.403 24.407
158 HD3 LYS 20 3HD LYS 20 21.609 24.748 25.300
159 HE2 LYS 20 2HE LYS 20 21.635 22.419 26.220
160 HE3 LYS 20 3HE LYS 20 23.159 22.120 25.386
161 HZ1 LYS 20 3HZ LYS 20 23.550 22.686 27.678
162 HZ2 LYS 20 1HZ LYS 20 24.154 23.905 26.749
163 HZ3 LYS 20 2HZ LYS 20 22.774 24.124 27.564
164 H CYS 21 H CYS 21 17.877 24.518 22.339
165 HA CYS 21 HA CYS 21 17.570 26.891 20.545
166 HB2 CYS 21 2HB CYS 21 16.189 24.927 19.851
167 HB3 CYS 21 3HB CYS 21 15.400 24.982 21.428
168 H ILE 22 H ILE 22 17.331 28.725 21.626
169 HA ILE 22 HA ILE 22 17.237 28.615 24.561
170 HB ILE 22 HB ILE 22 17.793 31.103 24.336
171 HG12 ILE 22 2HG1 ILE 22 18.818 31.856 22.283
172 HG13 ILE 22 3HG1 ILE 22 18.468 30.352 21.449
173 HG21 ILE 22 1HG2 ILE 22 20.147 30.580 23.880
174 HG22 ILE 22 2HG2 ILE 22 19.411 29.347 24.907
175 HG23 ILE 22 3HG2 ILE 22 19.691 29.009 23.187
176 HD11 ILE 22 3HD1 ILE 22 16.341 32.259 22.494
177 HD12 ILE 22 1HD1 ILE 22 16.961 32.250 20.837
178 HD13 ILE 22 2HD1 ILE 22 16.076 30.845 21.442
179 H GLY 23 H GLY 23 14.790 28.771 22.475
180 HA2 GLY 23 3HA GLY 23 12.701 29.193 24.243
181 HA3 GLY 23 3HA GLY 23 13.091 30.814 23.635
182 H GLU 24 H GLU 24 13.395 30.977 21.274
183 HA GLU 24 HA GLU 24 11.547 29.222 19.697
184 HB2 GLU 24 2HB GLU 24 10.592 31.172 18.675
185 HB3 GLU 24 3HB GLU 24 10.381 31.227 20.414
186 HG2 GLU 24 2HG GLU 24 12.481 32.809 18.870
187 HG3 GLU 24 3HG GLU 24 10.913 33.424 19.351
188 H GLU 25 H GLU 25 14.717 30.285 19.817
189 HA GLU 25 HA GLU 25 15.093 29.773 16.899
190 HB2 GLU 25 2HB GLU 25 16.769 31.662 18.576
191 HB3 GLU 25 3HB GLU 25 16.920 31.358 16.855
192 HG2 GLU 25 2HG GLU 25 14.603 32.747 18.256
193 HG3 GLU 25 3HG GLU 25 15.869 33.530 17.360
194 H CYS 26 H CYS 26 16.745 28.438 16.306
195 HA CYS 26 HA CYS 26 18.154 26.910 18.411
196 HB2 CYS 26 2HB CYS 26 17.699 26.533 15.447
197 HB3 CYS 26 3HB CYS 26 18.925 25.632 16.316
198 H LYS 27 H LYS 27 20.330 26.872 18.681
199 HA LYS 27 HA LYS 27 22.225 28.088 16.793
200 HB2 LYS 27 2HB LYS 27 21.929 29.134 19.659
201 HB3 LYS 27 3HB LYS 27 23.416 29.270 18.733
202 HG2 LYS 27 2HG LYS 27 22.584 31.284 18.194
203 HG3 LYS 27 3HG LYS 27 21.889 30.355 16.884
204 HD2 LYS 27 2HD LYS 27 19.781 30.169 18.502
205 HD3 LYS 27 3HD LYS 27 20.580 31.416 19.427
206 HE2 LYS 27 2HE LYS 27 18.890 32.324 17.889
207 HE3 LYS 27 3HE LYS 27 20.484 32.974 17.548
208 HZ1 LYS 27 3HZ LYS 27 19.606 30.611 16.030
209 HZ2 LYS 27 1HZ LYS 27 18.998 32.103 15.622
210 HZ3 LYS 27 2HZ LYS 27 20.598 31.831 15.564
211 H CYS 28 H CYS 28 24.606 27.668 17.786
212 HA CYS 28 HA CYS 28 24.625 25.163 19.261
213 HB2 CYS 28 2HB CYS 28 26.082 25.354 16.619
214 HB3 CYS 28 3HB CYS 28 26.098 24.020 17.757
215 H VAL 29 H VAL 29 26.560 24.584 20.142
216 HA VAL 29 HA VAL 29 28.711 26.620 20.417
217 HB VAL 29 HB VAL 29 28.266 26.518 22.909
218 HG11 VAL 29 1HG1 VAL 29 26.005 27.791 21.353
219 HG12 VAL 29 2HG1 VAL 29 26.631 28.249 22.947
220 HG13 VAL 29 3HG1 VAL 29 27.642 28.473 21.512
221 HG21 VAL 29 3HG2 VAL 29 26.088 25.951 23.762
222 HG22 VAL 29 1HG2 VAL 29 25.515 25.461 22.160
223 HG23 VAL 29 2HG2 VAL 29 26.790 24.528 22.977
224 HA PRO 30 HA PRO 30 31.123 22.956 21.387
225 HB2 PRO 30 2HB PRO 30 33.002 23.827 23.168
226 HB3 PRO 30 3HB PRO 30 32.998 24.293 21.446
227 HG2 PRO 30 2HG PRO 30 31.846 25.850 23.786
228 HG3 PRO 30 3HG PRO 30 32.978 26.440 22.521
229 HD2 PRO 30 2HD PRO 30 30.317 26.860 22.308
230 HD3 PRO 30 3HD PRO 30 31.275 26.420 20.869
231 H TYR 31 H TYR 31 31.978 21.676 23.317
232 HA TYR 31 HA TYR 31 29.819 20.607 24.733
233 HB2 TYR 31 2HB TYR 31 32.807 20.296 25.225
234 HB3 TYR 31 3HB TYR 31 31.557 19.230 25.854
235 HD1 TYR 31 HD2 TYR 31 29.906 18.246 24.051
236 HD2 TYR 31 HD1 TYR 31 33.919 19.573 23.243
237 HE1 TYR 31 HE2 TYR 31 29.947 16.853 21.990
238 HE2 TYR 31 HE1 TYR 31 33.992 18.113 21.227
239 HH TYR 31 HH TYR 31 32.831 16.613 19.891
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 10.041 26.971 25.808
2 H2 ALA 1 H2 ALA 1 8.908 25.787 25.967
3 H3 ALA 1 H3 ALA 1 8.454 27.377 25.961
4 HA ALA 1 HA ALA 1 7.946 26.303 23.879
5 HB1 ALA 1 3HB ALA 1 10.112 28.440 23.682
6 HB2 ALA 1 1HB ALA 1 8.991 27.983 22.390
7 HB3 ALA 1 2HB ALA 1 8.366 28.723 23.873
8 H PHE 2 H PHE 2 8.845 25.562 21.791
9 HA PHE 2 HA PHE 2 11.348 23.950 22.139
10 HB2 PHE 2 2HB PHE 2 10.342 22.277 20.648
11 HB3 PHE 2 3HB PHE 2 9.475 22.489 22.161
12 HD1 PHE 2 HD2 PHE 2 9.361 23.285 18.496
13 HD2 PHE 2 HD1 PHE 2 7.165 23.107 22.203
14 HE1 PHE 2 HE2 PHE 2 7.240 23.657 17.275
15 HE2 PHE 2 HE1 PHE 2 5.051 23.466 20.961
16 HZ PHE 2 HZ PHE 2 5.083 23.757 18.488
17 H CYS 3 H CYS 3 12.421 23.302 20.126
18 HA CYS 3 HA CYS 3 12.460 25.440 18.076
19 HB2 CYS 3 2HB CYS 3 14.758 24.240 19.562
20 HB3 CYS 3 3HB CYS 3 14.945 24.935 17.959
21 H ASN 4 H ASN 4 13.815 24.666 16.104
22 HA ASN 4 HA ASN 4 12.586 22.301 14.961
23 HB2 ASN 4 2HB ASN 4 14.588 24.355 13.993
24 HB3 ASN 4 3HB ASN 4 14.073 23.002 12.995
25 HD21 ASN 4 2HD2 ASN 4 11.998 22.963 12.124
26 HD22 ASN 4 1HD2 ASN 4 10.900 24.349 12.220
27 H LEU 5 H LEU 5 13.672 21.227 17.027
28 HA LEU 5 HA LEU 5 16.504 21.015 17.120
29 HB2 LEU 5 2HB LEU 5 14.234 19.680 18.632
30 HB3 LEU 5 3HB LEU 5 15.936 19.521 19.109
31 HG LEU 5 HG LEU 5 14.659 22.256 18.760
32 HD11 LEU 5 1HD1 LEU 5 13.286 21.079 20.397
33 HD12 LEU 5 2HD1 LEU 5 14.743 20.593 21.283
34 HD13 LEU 5 3HD1 LEU 5 14.297 22.306 21.203
35 HD21 LEU 5 3HD2 LEU 5 16.483 22.912 20.325
36 HD22 LEU 5 1HD2 LEU 5 17.057 21.243 20.321
37 HD23 LEU 5 2HD2 LEU 5 17.117 22.211 18.834
38 H ARG 6 H ARG 6 14.091 18.649 16.050
39 HA ARG 6 HA ARG 6 15.907 16.450 15.631
40 HB2 ARG 6 2HB ARG 6 13.408 17.203 14.045
41 HB3 ARG 6 3HB ARG 6 14.283 15.699 13.881
42 HG2 ARG 6 2HG ARG 6 12.612 16.596 16.233
43 HG3 ARG 6 3HG ARG 6 12.421 15.199 15.195
44 HD2 ARG 6 2HD ARG 6 13.296 14.118 16.983
45 HD3 ARG 6 3HD ARG 6 14.824 14.538 16.216
46 HE ARG 6 HE ARG 6 13.480 16.132 18.381
47 HH11 ARG 6 1HH1 ARG 6 16.647 14.944 17.159
48 HH12 ARG 6 2HH1 ARG 6 17.429 15.811 18.482
49 HH21 ARG 6 1HH2 ARG 6 14.727 17.091 19.958
50 HH22 ARG 6 2HH2 ARG 6 16.480 16.838 19.895
51 H ARG 7 H ARG 7 15.510 19.365 13.742
52 HA ARG 7 HA ARG 7 17.403 18.358 11.690
53 HB2 ARG 7 2HB ARG 7 15.446 19.874 11.092
54 HB3 ARG 7 3HB ARG 7 16.218 21.151 12.020
55 HG2 ARG 7 2HG ARG 7 16.813 21.544 9.745
56 HG3 ARG 7 3HG ARG 7 18.252 20.919 10.536
57 HD2 ARG 7 2HD ARG 7 18.058 19.883 8.371
58 HD3 ARG 7 3HD ARG 7 17.766 18.671 9.624
59 HE ARG 7 HE ARG 7 15.573 20.063 8.118
60 HH11 ARG 7 1HH1 ARG 7 16.890 16.945 9.238
61 HH12 ARG 7 2HH1 ARG 7 15.349 16.169 8.911
62 HH21 ARG 7 1HH2 ARG 7 13.733 18.875 7.692
63 HH22 ARG 7 2HH2 ARG 7 13.726 17.169 8.103
64 H CYS 8 H CYS 8 17.346 21.123 14.011
65 HA CYS 8 HA CYS 8 19.898 21.996 13.582
66 HB2 CYS 8 2HB CYS 8 18.260 22.001 16.135
67 HB3 CYS 8 3HB CYS 8 19.619 23.053 15.772
68 H GLU 9 H GLU 9 18.964 19.476 16.020
69 HA GLU 9 HA GLU 9 21.562 19.389 17.260
70 HB2 GLU 9 2HB GLU 9 19.258 17.405 17.201
71 HB3 GLU 9 3HB GLU 9 20.740 17.204 18.134
72 HG2 GLU 9 2HG GLU 9 20.309 19.333 19.334
73 HG3 GLU 9 3HG GLU 9 18.819 19.564 18.432
74 H LEU 10 H LEU 10 20.409 17.926 14.292
75 HA LEU 10 HA LEU 10 22.856 16.251 14.005
76 HB2 LEU 10 2HB LEU 10 20.418 16.747 12.249
77 HB3 LEU 10 3HB LEU 10 21.805 15.808 11.721
78 HG LEU 10 HG LEU 10 20.104 15.086 14.147
79 HD11 LEU 10 1HD1 LEU 10 20.087 13.942 11.319
80 HD12 LEU 10 2HD1 LEU 10 19.124 13.371 12.699
81 HD13 LEU 10 3HD1 LEU 10 18.821 14.975 12.037
82 HD21 LEU 10 3HD2 LEU 10 22.364 14.123 14.281
83 HD22 LEU 10 1HD2 LEU 10 21.214 12.862 13.847
84 HD23 LEU 10 2HD2 LEU 10 22.256 13.562 12.594
85 H SER 11 H SER 11 21.473 19.308 12.929
86 HA SER 11 HA SER 11 23.313 19.790 10.761
87 HB2 SER 11 2HB SER 11 21.706 21.793 12.386
88 HB3 SER 11 3HB SER 11 22.526 22.119 10.856
89 HG SER 11 HG SER 11 20.333 21.654 10.544
90 H CYS 12 H CYS 12 23.434 20.721 14.211
91 HA CYS 12 HA CYS 12 26.003 22.074 13.995
92 HB2 CYS 12 2HB CYS 12 24.592 20.900 16.409
93 HB3 CYS 12 3HB CYS 12 25.943 22.016 16.439
94 H ARG 13 H ARG 13 25.228 18.699 13.918
95 HA ARG 13 HA ARG 13 27.681 17.875 15.330
96 HB2 ARG 13 2HB ARG 13 25.245 16.435 14.300
97 HB3 ARG 13 3HB ARG 13 26.738 15.529 14.578
98 HG2 ARG 13 2HG ARG 13 26.881 16.338 16.865
99 HG3 ARG 13 3HG ARG 13 25.425 17.317 16.672
100 HD2 ARG 13 2HD ARG 13 24.058 15.296 16.412
101 HD3 ARG 13 3HD ARG 13 25.500 14.291 16.311
102 HE ARG 13 HE ARG 13 25.716 14.263 18.586
103 HH11 ARG 13 1HH1 ARG 13 23.495 16.928 17.910
104 HH12 ARG 13 2HH1 ARG 13 23.274 17.253 19.625
105 HH21 ARG 13 1HH2 ARG 13 25.153 14.588 20.708
106 HH22 ARG 13 2HH2 ARG 13 23.953 15.795 21.095
107 H SER 14 H SER 14 27.107 18.711 12.065
108 HA SER 14 HA SER 14 28.830 16.822 10.795
109 HB2 SER 14 2HB SER 14 28.349 19.717 9.995
110 HB3 SER 14 3HB SER 14 29.002 18.424 8.976
111 HG SER 14 HG SER 14 26.788 18.755 8.627
112 H LEU 15 H LEU 15 29.616 19.970 12.338
113 HA LEU 15 HA LEU 15 32.531 19.499 12.059
114 HB2 LEU 15 2HB LEU 15 30.908 21.634 13.474
115 HB3 LEU 15 3HB LEU 15 32.667 21.632 13.375
116 HG LEU 15 HG LEU 15 30.760 21.890 11.019
117 HD11 LEU 15 1HD1 LEU 15 32.536 23.941 12.407
118 HD12 LEU 15 2HD1 LEU 15 31.555 24.222 10.954
119 HD13 LEU 15 3HD1 LEU 15 30.762 23.864 12.494
120 HD21 LEU 15 3HD2 LEU 15 32.798 22.536 9.752
121 HD22 LEU 15 1HD2 LEU 15 33.800 22.116 11.155
122 HD23 LEU 15 2HD2 LEU 15 32.873 20.862 10.300
123 H GLY 16 H GLY 16 30.279 18.174 14.116
124 HA2 GLY 16 3HA GLY 16 30.513 16.942 16.047
125 HA3 GLY 16 3HA GLY 16 32.186 17.470 16.208
126 H LEU 17 H LEU 17 29.675 19.933 15.915
127 HA LEU 17 HA LEU 17 30.268 20.902 18.629
128 HB2 LEU 17 2HB LEU 17 28.081 22.117 17.012
129 HB3 LEU 17 3HB LEU 17 29.258 22.878 18.053
130 HG LEU 17 HG LEU 17 29.640 21.943 15.197
131 HD11 LEU 17 1HD1 LEU 17 29.854 24.356 14.726
132 HD12 LEU 17 2HD1 LEU 17 28.282 23.946 15.423
133 HD13 LEU 17 3HD1 LEU 17 29.531 24.715 16.433
134 HD21 LEU 17 3HD2 LEU 17 31.647 23.422 16.947
135 HD22 LEU 17 1HD2 LEU 17 31.818 21.743 16.387
136 HD23 LEU 17 2HD2 LEU 17 31.824 23.065 15.212
137 H LEU 18 H LEU 18 28.038 21.815 19.664
138 HA LEU 18 HA LEU 18 25.914 19.715 19.618
139 HB2 LEU 18 2HB LEU 18 26.805 21.556 21.865
140 HB3 LEU 18 3HB LEU 18 25.342 20.569 21.914
141 HG LEU 18 HG LEU 18 28.174 19.456 21.660
142 HD11 LEU 18 1HD1 LEU 18 26.269 19.747 24.008
143 HD12 LEU 18 2HD1 LEU 18 27.779 18.802 24.038
144 HD13 LEU 18 3HD1 LEU 18 27.825 20.556 23.772
145 HD21 LEU 18 3HD2 LEU 18 26.514 17.892 20.723
146 HD22 LEU 18 1HD2 LEU 18 27.100 17.306 22.281
147 HD23 LEU 18 2HD2 LEU 18 25.500 18.073 22.177
148 H GLY 19 H GLY 19 23.795 20.576 20.036
149 HA2 GLY 19 3HA GLY 19 23.316 23.406 19.248
150 HA3 GLY 19 3HA GLY 19 22.492 22.127 18.373
151 H LYS 20 H LYS 20 21.873 24.398 20.530
152 HA LYS 20 HA LYS 20 19.705 22.886 21.952
153 HB2 LYS 20 2HB LYS 20 21.696 24.895 23.088
154 HB3 LYS 20 3HB LYS 20 20.213 24.422 23.918
155 HG2 LYS 20 2HG LYS 20 20.912 22.128 24.091
156 HG3 LYS 20 3HG LYS 20 22.340 22.398 23.075
157 HD2 LYS 20 2HD LYS 20 23.330 23.848 24.711
158 HD3 LYS 20 3HD LYS 20 21.883 23.765 25.741
159 HE2 LYS 20 2HE LYS 20 22.179 21.338 26.038
160 HE3 LYS 20 3HE LYS 20 23.582 21.340 24.971
161 HZ1 LYS 20 3HZ LYS 20 24.807 22.613 26.581
162 HZ2 LYS 20 1HZ LYS 20 23.477 22.888 27.511
163 HZ3 LYS 20 2HZ LYS 20 24.122 21.381 27.387
164 H CYS 21 H CYS 21 17.890 24.139 22.595
165 HA CYS 21 HA CYS 21 17.199 26.415 20.862
166 HB2 CYS 21 2HB CYS 21 15.700 24.464 21.666
167 HB3 CYS 21 3HB CYS 21 15.664 25.266 23.219
168 H ILE 22 H ILE 22 17.016 28.601 21.509
169 HA ILE 22 HA ILE 22 17.294 29.197 24.420
170 HB ILE 22 HB ILE 22 18.550 31.039 22.394
171 HG12 ILE 22 2HG1 ILE 22 19.838 28.819 24.072
172 HG13 ILE 22 3HG1 ILE 22 19.766 28.876 22.311
173 HG21 ILE 22 1HG2 ILE 22 18.963 30.733 25.414
174 HG22 ILE 22 2HG2 ILE 22 19.593 32.030 24.377
175 HG23 ILE 22 3HG2 ILE 22 17.877 31.938 24.713
176 HD11 ILE 22 3HD1 ILE 22 21.955 29.507 22.888
177 HD12 ILE 22 1HD1 ILE 22 21.124 31.016 22.423
178 HD13 ILE 22 2HD1 ILE 22 21.407 30.633 24.137
179 H GLY 23 H GLY 23 15.062 28.643 23.201
180 HA2 GLY 23 3HA GLY 23 12.913 29.251 23.837
181 HA3 GLY 23 3HA GLY 23 13.428 30.927 24.034
182 H GLU 24 H GLU 24 14.549 31.111 21.286
183 HA GLU 24 HA GLU 24 12.002 31.129 19.695
184 HB2 GLU 24 2HB GLU 24 13.205 33.115 18.534
185 HB3 GLU 24 3HB GLU 24 12.329 33.320 20.036
186 HG2 GLU 24 2HG GLU 24 14.307 34.632 20.134
187 HG3 GLU 24 3HG GLU 24 14.430 33.366 21.331
188 H GLU 25 H GLU 25 15.487 30.425 19.514
189 HA GLU 25 HA GLU 25 15.032 28.879 17.036
190 HB2 GLU 25 2HB GLU 25 15.355 31.292 16.378
191 HB3 GLU 25 3HB GLU 25 16.920 31.270 17.179
192 HG2 GLU 25 2HG GLU 25 17.109 31.075 14.748
193 HG3 GLU 25 3HG GLU 25 17.776 29.662 15.545
194 H CYS 26 H CYS 26 16.856 27.616 16.373
195 HA CYS 26 HA CYS 26 18.360 26.393 18.494
196 HB2 CYS 26 2HB CYS 26 18.725 26.349 15.476
197 HB3 CYS 26 3HB CYS 26 19.411 25.203 16.617
198 H LYS 27 H LYS 27 20.367 26.852 19.253
199 HA LYS 27 HA LYS 27 22.289 28.446 17.568
200 HB2 LYS 27 2HB LYS 27 21.966 28.321 20.594
201 HB3 LYS 27 3HB LYS 27 23.494 28.742 19.828
202 HG2 LYS 27 2HG LYS 27 22.422 30.761 20.445
203 HG3 LYS 27 3HG LYS 27 22.467 30.657 18.688
204 HD2 LYS 27 2HD LYS 27 20.099 30.083 18.606
205 HD3 LYS 27 3HD LYS 27 19.992 30.003 20.362
206 HE2 LYS 27 2HE LYS 27 20.294 32.350 20.592
207 HE3 LYS 27 3HE LYS 27 20.985 32.497 18.976
208 HZ1 LYS 27 3HZ LYS 27 18.103 31.967 19.551
209 HZ2 LYS 27 1HZ LYS 27 18.773 33.313 18.933
210 HZ3 LYS 27 2HZ LYS 27 18.814 31.960 18.043
211 H CYS 28 H CYS 28 24.316 27.559 17.334
212 HA CYS 28 HA CYS 28 24.738 24.839 18.417
213 HB2 CYS 28 2HB CYS 28 26.593 26.082 16.429
214 HB3 CYS 28 3HB CYS 28 26.535 24.441 17.055
215 H VAL 29 H VAL 29 26.566 24.481 19.631
216 HA VAL 29 HA VAL 29 27.454 26.838 21.205
217 HB VAL 29 HB VAL 29 26.213 25.742 23.151
218 HG11 VAL 29 1HG1 VAL 29 24.374 26.855 21.020
219 HG12 VAL 29 2HG1 VAL 29 24.151 26.867 22.773
220 HG13 VAL 29 3HG1 VAL 29 25.439 27.838 22.055
221 HG21 VAL 29 3HG2 VAL 29 24.582 24.371 20.988
222 HG22 VAL 29 1HG2 VAL 29 25.697 23.563 22.119
223 HG23 VAL 29 2HG2 VAL 29 24.262 24.397 22.723
224 HA PRO 30 HA PRO 30 30.757 24.215 22.650
225 HB2 PRO 30 2HB PRO 30 31.112 25.066 25.239
226 HB3 PRO 30 3HB PRO 30 31.552 26.059 23.819
227 HG2 PRO 30 2HG PRO 30 28.971 26.170 25.414
228 HG3 PRO 30 3HG PRO 30 30.070 27.528 24.990
229 HD2 PRO 30 2HD PRO 30 27.911 27.037 23.494
230 HD3 PRO 30 3HD PRO 30 29.456 27.423 22.692
231 H TYR 31 H TYR 31 31.302 22.617 24.320
232 HA TYR 31 HA TYR 31 29.058 21.028 25.418
233 HB2 TYR 31 2HB TYR 31 32.077 20.652 25.428
234 HB3 TYR 31 3HB TYR 31 30.945 19.575 26.218
235 HD1 TYR 31 HD1 TYR 31 31.750 20.981 22.802
236 HD2 TYR 31 HD2 TYR 31 30.110 17.705 25.081
237 HE1 TYR 31 HE1 TYR 31 31.590 19.629 20.733
238 HE2 TYR 31 HE2 TYR 31 29.945 16.351 23.005
239 HH TYR 31 HH TYR 31 30.999 17.662 19.826
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 15.559 20.143 28.277
2 H2 ALA 1 H2 ALA 1 16.303 18.698 28.512
3 H3 ALA 1 H3 ALA 1 15.351 19.329 29.699
4 HA ALA 1 HA ALA 1 14.362 17.468 28.450
5 HB1 ALA 1 3HB ALA 1 12.137 18.538 28.249
6 HB2 ALA 1 1HB ALA 1 12.957 19.000 29.751
7 HB3 ALA 1 2HB ALA 1 12.901 20.136 28.388
8 H PHE 2 H PHE 2 13.085 16.930 26.526
9 HA PHE 2 HA PHE 2 14.343 17.210 24.105
10 HB2 PHE 2 2HB PHE 2 12.465 16.189 23.143
11 HB3 PHE 2 3HB PHE 2 12.494 15.601 24.794
12 HD1 PHE 2 HD2 PHE 2 10.882 16.684 26.506
13 HD2 PHE 2 HD1 PHE 2 10.575 17.368 22.260
14 HE1 PHE 2 HE2 PHE 2 8.600 17.611 26.817
15 HE2 PHE 2 HE1 PHE 2 8.288 18.257 22.572
16 HZ PHE 2 HZ PHE 2 7.303 18.411 24.853
17 H CYS 3 H CYS 3 13.802 18.201 22.095
18 HA CYS 3 HA CYS 3 12.300 20.736 22.114
19 HB2 CYS 3 2HB CYS 3 14.765 21.071 22.657
20 HB3 CYS 3 3HB CYS 3 15.098 20.583 21.008
21 H ASN 4 H ASN 4 12.487 21.611 19.570
22 HA ASN 4 HA ASN 4 11.654 19.418 17.788
23 HB2 ASN 4 2HB ASN 4 12.091 22.393 17.296
24 HB3 ASN 4 3HB ASN 4 11.665 21.237 16.038
25 HD21 ASN 4 2HD2 ASN 4 10.455 22.821 18.961
26 HD22 ASN 4 1HD2 ASN 4 8.769 22.467 18.642
27 H LEU 5 H LEU 5 13.810 18.462 18.647
28 HA LEU 5 HA LEU 5 16.361 19.491 17.959
29 HB2 LEU 5 2HB LEU 5 15.376 16.707 18.724
30 HB3 LEU 5 3HB LEU 5 17.075 17.139 18.658
31 HG LEU 5 HG LEU 5 15.056 18.536 20.449
32 HD11 LEU 5 1HD1 LEU 5 16.050 17.254 22.283
33 HD12 LEU 5 2HD1 LEU 5 15.293 16.178 21.095
34 HD13 LEU 5 3HD1 LEU 5 17.057 16.361 21.131
35 HD21 LEU 5 3HD2 LEU 5 18.112 18.519 20.456
36 HD22 LEU 5 1HD2 LEU 5 17.106 19.895 19.957
37 HD23 LEU 5 2HD2 LEU 5 17.083 19.343 21.634
38 H ARG 6 H ARG 6 14.318 17.173 16.223
39 HA ARG 6 HA ARG 6 16.195 16.345 14.260
40 HB2 ARG 6 2HB ARG 6 13.194 16.783 13.942
41 HB3 ARG 6 3HB ARG 6 14.224 16.024 12.743
42 HG2 ARG 6 2HG ARG 6 13.309 14.891 15.366
43 HG3 ARG 6 3HG ARG 6 13.214 14.236 13.749
44 HD2 ARG 6 2HD ARG 6 14.842 12.902 14.605
45 HD3 ARG 6 3HD ARG 6 15.859 14.154 13.910
46 HE ARG 6 HE ARG 6 14.993 14.095 16.808
47 HH11 ARG 6 1HH1 ARG 6 17.735 14.608 14.591
48 HH12 ARG 6 2HH1 ARG 6 18.839 14.383 15.938
49 HH21 ARG 6 1HH2 ARG 6 16.389 14.227 18.334
50 HH22 ARG 6 2HH2 ARG 6 18.086 14.622 18.044
51 H ARG 7 H ARG 7 14.760 19.478 14.555
52 HA ARG 7 HA ARG 7 15.377 20.336 11.818
53 HB2 ARG 7 2HB ARG 7 14.685 21.956 14.303
54 HB3 ARG 7 3HB ARG 7 14.816 22.573 12.666
55 HG2 ARG 7 2HG ARG 7 12.955 21.058 11.944
56 HG3 ARG 7 3HG ARG 7 12.803 20.476 13.609
57 HD2 ARG 7 2HD ARG 7 12.311 22.809 14.347
58 HD3 ARG 7 3HD ARG 7 12.343 23.330 12.652
59 HE ARG 7 HE ARG 7 10.526 21.203 12.731
60 HH11 ARG 7 1HH1 ARG 7 10.618 24.381 14.263
61 HH12 ARG 7 2HH1 ARG 7 8.901 24.346 14.592
62 HH21 ARG 7 1HH2 ARG 7 8.316 21.379 12.944
63 HH22 ARG 7 2HH2 ARG 7 7.661 22.747 13.816
64 H CYS 8 H CYS 8 17.262 20.017 14.707
65 HA CYS 8 HA CYS 8 19.338 21.866 13.585
66 HB2 CYS 8 2HB CYS 8 17.967 22.852 15.387
67 HB3 CYS 8 3HB CYS 8 18.537 21.593 16.493
68 H GLU 9 H GLU 9 19.072 18.934 15.788
69 HA GLU 9 HA GLU 9 21.759 19.029 16.611
70 HB2 GLU 9 2HB GLU 9 19.989 16.581 16.183
71 HB3 GLU 9 3HB GLU 9 21.597 16.529 16.900
72 HG2 GLU 9 2HG GLU 9 20.696 18.326 18.560
73 HG3 GLU 9 3HG GLU 9 19.104 17.776 18.040
74 H LEU 10 H LEU 10 20.576 17.376 13.628
75 HA LEU 10 HA LEU 10 23.308 16.381 13.085
76 HB2 LEU 10 2HB LEU 10 20.716 15.940 11.574
77 HB3 LEU 10 3HB LEU 10 22.265 15.177 11.218
78 HG LEU 10 HG LEU 10 20.606 14.787 13.749
79 HD11 LEU 10 1HD1 LEU 10 20.402 12.477 12.942
80 HD12 LEU 10 2HD1 LEU 10 19.759 13.620 11.746
81 HD13 LEU 10 3HD1 LEU 10 21.356 12.880 11.497
82 HD21 LEU 10 3HD2 LEU 10 22.960 14.633 14.388
83 HD22 LEU 10 1HD2 LEU 10 22.263 13.018 14.328
84 HD23 LEU 10 2HD2 LEU 10 23.302 13.573 12.998
85 H SER 11 H SER 11 21.918 19.267 12.696
86 HA SER 11 HA SER 11 23.571 20.001 10.324
87 HB2 SER 11 2HB SER 11 21.385 21.557 11.743
88 HB3 SER 11 3HB SER 11 22.267 22.064 10.282
89 HG SER 11 HG SER 11 21.469 20.030 9.336
90 H CYS 12 H CYS 12 24.021 19.653 13.530
91 HA CYS 12 HA CYS 12 26.158 21.741 13.564
92 HB2 CYS 12 2HB CYS 12 24.176 21.098 15.777
93 HB3 CYS 12 3HB CYS 12 25.687 21.975 16.035
94 H ARG 13 H ARG 13 25.126 18.530 14.921
95 HA ARG 13 HA ARG 13 27.552 17.979 16.305
96 HB2 ARG 13 2HB ARG 13 25.457 16.164 15.042
97 HB3 ARG 13 3HB ARG 13 26.815 15.554 15.991
98 HG2 ARG 13 2HG ARG 13 26.094 16.839 17.959
99 HG3 ARG 13 3HG ARG 13 24.720 17.499 17.060
100 HD2 ARG 13 2HD ARG 13 23.822 15.232 16.700
101 HD3 ARG 13 3HD ARG 13 25.216 14.517 17.511
102 HE ARG 13 HE ARG 13 22.867 15.691 18.766
103 HH11 ARG 13 1HH1 ARG 13 26.261 14.954 19.419
104 HH12 ARG 13 2HH1 ARG 13 25.929 14.731 21.111
105 HH21 ARG 13 1HH2 ARG 13 22.573 15.520 20.838
106 HH22 ARG 13 2HH2 ARG 13 23.918 15.090 21.915
107 H SER 14 H SER 14 26.978 17.806 12.873
108 HA SER 14 HA SER 14 29.185 16.134 12.105
109 HB2 SER 14 2HB SER 14 28.840 17.214 9.889
110 HB3 SER 14 3HB SER 14 27.323 16.637 10.614
111 HG SER 14 HG SER 14 26.840 18.668 10.026
112 H LEU 15 H LEU 15 29.006 19.539 13.046
113 HA LEU 15 HA LEU 15 31.854 20.037 12.343
114 HB2 LEU 15 2HB LEU 15 29.761 21.816 13.602
115 HB3 LEU 15 3HB LEU 15 31.355 22.331 13.057
116 HG LEU 15 HG LEU 15 29.095 21.350 11.269
117 HD11 LEU 15 1HD1 LEU 15 30.147 24.160 11.794
118 HD12 LEU 15 2HD1 LEU 15 28.906 23.703 10.604
119 HD13 LEU 15 3HD1 LEU 15 28.582 23.504 12.328
120 HD21 LEU 15 3HD2 LEU 15 31.310 20.937 10.263
121 HD22 LEU 15 1HD2 LEU 15 30.489 22.269 9.441
122 HD23 LEU 15 2HD2 LEU 15 31.778 22.624 10.602
123 H GLY 16 H GLY 16 30.368 18.461 14.840
124 HA2 GLY 16 3HA GLY 16 31.053 17.889 16.959
125 HA3 GLY 16 3HA GLY 16 32.513 18.851 16.753
126 H LEU 17 H LEU 17 29.366 20.409 16.319
127 HA LEU 17 HA LEU 17 29.671 21.778 18.962
128 HB2 LEU 17 2HB LEU 17 27.493 22.817 17.417
129 HB3 LEU 17 3HB LEU 17 28.861 23.659 18.113
130 HG LEU 17 HG LEU 17 28.814 22.331 15.398
131 HD11 LEU 17 1HD1 LEU 17 28.381 25.225 16.155
132 HD12 LEU 17 2HD1 LEU 17 28.669 24.656 14.502
133 HD13 LEU 17 3HD1 LEU 17 27.230 24.112 15.365
134 HD21 LEU 17 3HD2 LEU 17 30.779 24.393 16.464
135 HD22 LEU 17 1HD2 LEU 17 31.141 22.667 16.266
136 HD23 LEU 17 2HD2 LEU 17 30.778 23.652 14.842
137 H LEU 18 H LEU 18 27.633 22.099 20.229
138 HA LEU 18 HA LEU 18 25.728 19.818 19.944
139 HB2 LEU 18 2HB LEU 18 26.365 21.679 22.265
140 HB3 LEU 18 3HB LEU 18 24.971 20.622 22.227
141 HG LEU 18 HG LEU 18 26.689 19.658 23.556
142 HD11 LEU 18 1HD1 LEU 18 25.233 18.124 22.239
143 HD12 LEU 18 2HD1 LEU 18 26.496 18.022 20.992
144 HD13 LEU 18 3HD1 LEU 18 26.815 17.434 22.632
145 HD21 LEU 18 3HD2 LEU 18 28.527 19.410 21.151
146 HD22 LEU 18 1HD2 LEU 18 28.680 20.651 22.421
147 HD23 LEU 18 2HD2 LEU 18 28.826 18.936 22.823
148 H GLY 19 H GLY 19 23.595 20.115 19.809
149 HA2 GLY 19 3HA GLY 19 22.611 22.665 18.667
150 HA3 GLY 19 3HA GLY 19 21.721 21.147 18.829
151 H LYS 20 H LYS 20 22.751 24.110 20.528
152 HA LYS 20 HA LYS 20 20.989 23.543 22.839
153 HB2 LYS 20 2HB LYS 20 22.606 26.004 22.108
154 HB3 LYS 20 3HB LYS 20 21.560 25.854 23.532
155 HG2 LYS 20 2HG LYS 20 22.888 23.845 24.249
156 HG3 LYS 20 3HG LYS 20 24.002 24.139 22.896
157 HD2 LYS 20 2HD LYS 20 24.385 26.455 23.813
158 HD3 LYS 20 3HD LYS 20 23.418 26.030 25.222
159 HE2 LYS 20 2HE LYS 20 25.989 24.613 24.354
160 HE3 LYS 20 3HE LYS 20 25.874 25.854 25.609
161 HZ1 LYS 20 3HZ LYS 20 24.645 23.160 25.689
162 HZ2 LYS 20 1HZ LYS 20 25.846 23.756 26.654
163 HZ3 LYS 20 2HZ LYS 20 24.327 24.342 26.797
164 H CYS 21 H CYS 21 19.235 23.007 21.515
165 HA CYS 21 HA CYS 21 17.825 24.870 19.829
166 HB2 CYS 21 2HB CYS 21 17.762 22.437 19.654
167 HB3 CYS 21 3HB CYS 21 17.018 22.301 21.239
168 H ILE 22 H ILE 22 16.379 26.395 20.295
169 HA ILE 22 HA ILE 22 15.412 26.800 23.092
170 HB ILE 22 HB ILE 22 15.826 28.977 21.042
171 HG12 ILE 22 2HG1 ILE 22 18.045 28.096 21.474
172 HG13 ILE 22 3HG1 ILE 22 17.842 29.671 22.199
173 HG21 ILE 22 1HG2 ILE 22 15.725 30.438 23.069
174 HG22 ILE 22 2HG2 ILE 22 14.228 29.543 22.810
175 HG23 ILE 22 3HG2 ILE 22 15.359 29.016 24.063
176 HD11 ILE 22 3HD1 ILE 22 17.738 27.047 23.754
177 HD12 ILE 22 1HD1 ILE 22 19.120 28.145 23.650
178 HD13 ILE 22 2HD1 ILE 22 17.635 28.682 24.443
179 H GLY 23 H GLY 23 13.924 25.126 22.170
180 HA2 GLY 23 3HA GLY 23 11.707 24.565 21.919
181 HA3 GLY 23 3HA GLY 23 11.303 26.271 21.695
182 H GLU 24 H GLU 24 12.061 27.190 19.631
183 HA GLU 24 HA GLU 24 12.039 25.420 17.258
184 HB2 GLU 24 2HB GLU 24 9.904 27.523 17.799
185 HB3 GLU 24 3HB GLU 24 10.272 26.923 16.176
186 HG2 GLU 24 2HG GLU 24 9.928 24.584 16.982
187 HG3 GLU 24 3HG GLU 24 9.359 25.237 18.529
188 H GLU 25 H GLU 25 13.972 27.125 18.627
189 HA GLU 25 HA GLU 25 15.036 28.462 16.212
190 HB2 GLU 25 2HB GLU 25 14.004 29.982 18.266
191 HB3 GLU 25 3HB GLU 25 15.653 29.780 18.836
192 HG2 GLU 25 2HG GLU 25 14.908 30.792 16.049
193 HG3 GLU 25 3HG GLU 25 15.129 31.840 17.445
194 H CYS 26 H CYS 26 17.544 28.519 16.379
195 HA CYS 26 HA CYS 26 18.687 26.862 18.495
196 HB2 CYS 26 2HB CYS 26 17.658 25.308 16.659
197 HB3 CYS 26 3HB CYS 26 19.023 25.822 15.679
198 H LYS 27 H LYS 27 20.631 27.536 18.947
199 HA LYS 27 HA LYS 27 22.557 28.285 16.818
200 HB2 LYS 27 2HB LYS 27 22.420 29.743 19.484
201 HB3 LYS 27 3HB LYS 27 23.546 30.053 18.174
202 HG2 LYS 27 2HG LYS 27 20.532 30.522 18.060
203 HG3 LYS 27 3HG LYS 27 21.751 31.755 18.367
204 HD2 LYS 27 2HD LYS 27 22.546 31.764 16.171
205 HD3 LYS 27 3HD LYS 27 21.968 30.133 15.835
206 HE2 LYS 27 2HE LYS 27 20.616 31.708 14.615
207 HE3 LYS 27 3HE LYS 27 19.641 30.872 15.828
208 HZ1 LYS 27 3HZ LYS 27 20.760 33.598 16.245
209 HZ2 LYS 27 1HZ LYS 27 19.251 33.285 15.680
210 HZ3 LYS 27 2HZ LYS 27 19.684 32.831 17.200
211 H CYS 28 H CYS 28 24.697 27.619 17.289
212 HA CYS 28 HA CYS 28 24.684 25.308 19.184
213 HB2 CYS 28 2HB CYS 28 25.643 25.451 16.332
214 HB3 CYS 28 3HB CYS 28 25.831 24.090 17.435
215 H VAL 29 H VAL 29 26.459 24.759 20.164
216 HA VAL 29 HA VAL 29 29.066 26.084 19.849
217 HB VAL 29 HB VAL 29 28.755 27.132 22.145
218 HG11 VAL 29 1HG1 VAL 29 28.733 28.493 20.054
219 HG12 VAL 29 2HG1 VAL 29 26.955 28.457 20.115
220 HG13 VAL 29 3HG1 VAL 29 27.876 29.186 21.438
221 HG21 VAL 29 3HG2 VAL 29 26.606 27.662 23.007
222 HG22 VAL 29 1HG2 VAL 29 25.775 26.898 21.637
223 HG23 VAL 29 2HG2 VAL 29 26.698 25.907 22.793
224 HA PRO 30 HA PRO 30 30.244 22.667 22.591
225 HB2 PRO 30 2HB PRO 30 31.583 24.658 24.416
226 HB3 PRO 30 3HB PRO 30 32.233 23.128 23.741
227 HG2 PRO 30 2HG PRO 30 32.973 25.492 22.667
228 HG3 PRO 30 3HG PRO 30 32.525 24.130 21.580
229 HD2 PRO 30 2HD PRO 30 30.814 26.466 22.474
230 HD3 PRO 30 3HD PRO 30 31.071 25.835 20.819
231 H TYR 31 H TYR 31 30.105 21.841 24.869
232 HA TYR 31 HA TYR 31 27.580 21.965 25.974
233 HB2 TYR 31 2HB TYR 31 30.203 21.256 27.332
234 HB3 TYR 31 3HB TYR 31 28.628 20.937 28.014
235 HD1 TYR 31 HD2 TYR 31 27.115 19.230 27.070
236 HD2 TYR 31 HD1 TYR 31 31.099 19.854 25.555
237 HE1 TYR 31 HE2 TYR 31 27.074 16.955 26.006
238 HE2 TYR 31 HE1 TYR 31 31.052 17.613 24.472
239 HH TYR 31 HH TYR 31 29.911 15.653 24.255
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 9.292 25.148 25.814
2 H2 ALA 1 H2 ALA 1 9.202 25.019 27.458
3 H3 ALA 1 H3 ALA 1 9.045 23.668 26.483
4 HA ALA 1 HA ALA 1 11.470 25.321 26.530
5 HB1 ALA 1 3HB ALA 1 10.942 22.875 28.268
6 HB2 ALA 1 1HB ALA 1 12.519 23.634 28.005
7 HB3 ALA 1 2HB ALA 1 11.238 24.550 28.798
8 H PHE 2 H PHE 2 9.860 22.308 25.433
9 HA PHE 2 HA PHE 2 12.161 21.212 24.182
10 HB2 PHE 2 2HB PHE 2 10.059 20.009 24.764
11 HB3 PHE 2 3HB PHE 2 9.217 20.884 23.481
12 HD1 PHE 2 HD2 PHE 2 12.522 19.028 23.709
13 HD2 PHE 2 HD1 PHE 2 8.718 19.416 21.718
14 HE1 PHE 2 HE2 PHE 2 13.144 17.221 22.144
15 HE2 PHE 2 HE1 PHE 2 9.362 17.593 20.170
16 HZ PHE 2 HZ PHE 2 11.573 16.488 20.366
17 H CYS 3 H CYS 3 12.721 21.078 21.988
18 HA CYS 3 HA CYS 3 12.302 23.599 20.454
19 HB2 CYS 3 2HB CYS 3 14.713 22.365 21.606
20 HB3 CYS 3 3HB CYS 3 14.868 23.144 20.028
21 H ASN 4 H ASN 4 12.985 23.494 18.158
22 HA ASN 4 HA ASN 4 12.312 20.974 16.866
23 HB2 ASN 4 2HB ASN 4 12.734 22.026 14.758
24 HB3 ASN 4 3HB ASN 4 11.676 22.994 15.759
25 HD21 ASN 4 2HD2 ASN 4 12.845 24.945 16.940
26 HD22 ASN 4 1HD2 ASN 4 14.135 25.677 15.977
27 H LEU 5 H LEU 5 14.032 20.118 18.507
28 HA LEU 5 HA LEU 5 16.815 20.514 18.008
29 HB2 LEU 5 2HB LEU 5 15.343 18.343 19.559
30 HB3 LEU 5 3HB LEU 5 17.081 18.645 19.649
31 HG LEU 5 HG LEU 5 14.906 20.623 20.422
32 HD11 LEU 5 1HD1 LEU 5 16.837 19.018 22.133
33 HD12 LEU 5 2HD1 LEU 5 15.673 20.221 22.725
34 HD13 LEU 5 3HD1 LEU 5 15.091 18.722 21.977
35 HD21 LEU 5 3HD2 LEU 5 16.900 21.853 21.467
36 HD22 LEU 5 1HD2 LEU 5 17.963 20.743 20.602
37 HD23 LEU 5 2HD2 LEU 5 16.914 21.866 19.702
38 H ARG 6 H ARG 6 14.594 18.078 16.779
39 HA ARG 6 HA ARG 6 16.670 16.351 15.654
40 HB2 ARG 6 2HB ARG 6 13.782 16.717 14.761
41 HB3 ARG 6 3HB ARG 6 14.848 15.415 14.284
42 HG2 ARG 6 2HG ARG 6 13.796 15.896 17.106
43 HG3 ARG 6 3HG ARG 6 13.255 14.683 15.957
44 HD2 ARG 6 2HD ARG 6 14.636 13.432 17.339
45 HD3 ARG 6 3HD ARG 6 15.677 13.781 15.972
46 HE ARG 6 HE ARG 6 17.091 14.944 17.358
47 HH11 ARG 6 1HH1 ARG 6 14.157 14.410 19.210
48 HH12 ARG 6 2HH1 ARG 6 14.867 15.031 20.682
49 HH21 ARG 6 1HH2 ARG 6 17.929 15.697 19.242
50 HH22 ARG 6 2HH2 ARG 6 16.955 15.750 20.685
51 H ARG 7 H ARG 7 15.310 19.419 14.647
52 HA ARG 7 HA ARG 7 16.739 19.283 12.042
53 HB2 ARG 7 2HB ARG 7 15.014 21.481 13.260
54 HB3 ARG 7 3HB ARG 7 15.744 21.507 11.660
55 HG2 ARG 7 2HG ARG 7 14.445 19.405 11.087
56 HG3 ARG 7 3HG ARG 7 13.663 19.520 12.667
57 HD2 ARG 7 2HD ARG 7 12.139 20.453 11.182
58 HD3 ARG 7 3HD ARG 7 12.863 21.847 12.001
59 HE ARG 7 HE ARG 7 14.433 21.661 9.768
60 HH11 ARG 7 1HH1 ARG 7 10.925 21.732 10.043
61 HH12 ARG 7 2HH1 ARG 7 10.722 22.157 8.363
62 HH21 ARG 7 1HH2 ARG 7 14.087 22.233 7.652
63 HH22 ARG 7 2HH2 ARG 7 12.456 22.503 7.097
64 H CYS 8 H CYS 8 16.942 21.191 15.125
65 HA CYS 8 HA CYS 8 19.130 22.766 14.335
66 HB2 CYS 8 2HB CYS 8 18.213 21.838 17.082
67 HB3 CYS 8 3HB CYS 8 19.370 23.096 16.773
68 H GLU 9 H GLU 9 19.173 19.626 16.198
69 HA GLU 9 HA GLU 9 21.987 19.740 16.714
70 HB2 GLU 9 2HB GLU 9 20.061 17.400 16.631
71 HB3 GLU 9 3HB GLU 9 21.731 17.300 17.200
72 HG2 GLU 9 2HG GLU 9 21.298 18.918 18.973
73 HG3 GLU 9 3HG GLU 9 19.634 19.147 18.437
74 H LEU 10 H LEU 10 20.262 18.433 13.886
75 HA LEU 10 HA LEU 10 22.657 17.211 12.757
76 HB2 LEU 10 2HB LEU 10 19.986 17.944 11.493
77 HB3 LEU 10 3HB LEU 10 21.276 17.056 10.688
78 HG LEU 10 HG LEU 10 19.644 16.107 13.075
79 HD11 LEU 10 1HD1 LEU 10 19.896 15.165 10.181
80 HD12 LEU 10 2HD1 LEU 10 18.939 14.365 11.434
81 HD13 LEU 10 3HD1 LEU 10 18.498 15.999 10.907
82 HD21 LEU 10 3HD2 LEU 10 21.908 15.223 13.367
83 HD22 LEU 10 1HD2 LEU 10 20.844 13.944 12.792
84 HD23 LEU 10 2HD2 LEU 10 21.967 14.725 11.658
85 H SER 11 H SER 11 21.705 20.472 13.002
86 HA SER 11 HA SER 11 23.332 21.342 10.676
87 HB2 SER 11 2HB SER 11 21.546 22.746 12.664
88 HB3 SER 11 3HB SER 11 22.654 23.655 11.617
89 HG SER 11 HG SER 11 21.558 23.106 9.872
90 H CYS 12 H CYS 12 24.103 20.260 13.734
91 HA CYS 12 HA CYS 12 26.610 21.884 13.768
92 HB2 CYS 12 2HB CYS 12 24.675 21.467 16.067
93 HB3 CYS 12 3HB CYS 12 26.326 22.051 16.271
94 H ARG 13 H ARG 13 25.079 18.771 14.620
95 HA ARG 13 HA ARG 13 27.089 17.694 16.221
96 HB2 ARG 13 2HB ARG 13 24.828 16.730 15.809
97 HB3 ARG 13 3HB ARG 13 25.325 16.273 14.184
98 HG2 ARG 13 2HG ARG 13 25.367 14.328 15.521
99 HG3 ARG 13 3HG ARG 13 27.048 14.717 15.200
100 HD2 ARG 13 2HD ARG 13 25.590 15.518 17.750
101 HD3 ARG 13 3HD ARG 13 26.380 13.958 17.570
102 HE ARG 13 HE ARG 13 28.510 15.241 17.130
103 HH11 ARG 13 1HH1 ARG 13 26.089 16.719 19.286
104 HH12 ARG 13 2HH1 ARG 13 27.384 17.399 20.260
105 HH21 ARG 13 1HH2 ARG 13 29.959 16.109 18.530
106 HH22 ARG 13 2HH2 ARG 13 29.425 17.209 19.789
107 H SER 14 H SER 14 27.040 17.733 12.641
108 HA SER 14 HA SER 14 29.387 16.056 12.360
109 HB2 SER 14 2HB SER 14 28.070 17.885 10.328
110 HB3 SER 14 3HB SER 14 29.284 16.647 9.993
111 HG SER 14 HG SER 14 27.364 15.727 9.605
112 H LEU 15 H LEU 15 29.207 19.293 13.352
113 HA LEU 15 HA LEU 15 32.022 19.880 12.507
114 HB2 LEU 15 2HB LEU 15 30.015 21.572 14.019
115 HB3 LEU 15 3HB LEU 15 31.596 22.100 13.444
116 HG LEU 15 HG LEU 15 29.201 21.420 11.707
117 HD11 LEU 15 1HD1 LEU 15 30.511 24.061 12.494
118 HD12 LEU 15 2HD1 LEU 15 29.229 23.875 11.285
119 HD13 LEU 15 3HD1 LEU 15 28.896 23.483 12.976
120 HD21 LEU 15 3HD2 LEU 15 31.319 20.952 10.536
121 HD22 LEU 15 1HD2 LEU 15 30.542 22.400 9.887
122 HD23 LEU 15 2HD2 LEU 15 31.937 22.559 10.983
123 H GLY 16 H GLY 16 30.413 18.314 14.999
124 HA2 GLY 16 3HA GLY 16 31.054 17.637 17.105
125 HA3 GLY 16 3HA GLY 16 32.571 18.520 16.952
126 H LEU 17 H LEU 17 29.242 19.874 16.667
127 HA LEU 17 HA LEU 17 29.591 21.179 19.306
128 HB2 LEU 17 2HB LEU 17 27.755 22.752 17.894
129 HB3 LEU 17 3HB LEU 17 29.278 23.222 18.578
130 HG LEU 17 HG LEU 17 28.948 22.232 15.747
131 HD11 LEU 17 1HD1 LEU 17 27.700 24.298 16.052
132 HD12 LEU 17 2HD1 LEU 17 29.087 25.061 16.860
133 HD13 LEU 17 3HD1 LEU 17 29.170 24.632 15.141
134 HD21 LEU 17 3HD2 LEU 17 31.307 22.096 16.667
135 HD22 LEU 17 1HD2 LEU 17 31.134 23.280 15.362
136 HD23 LEU 17 2HD2 LEU 17 31.212 23.813 17.062
137 H LEU 18 H LEU 18 27.740 21.480 20.559
138 HA LEU 18 HA LEU 18 25.600 19.460 20.183
139 HB2 LEU 18 2HB LEU 18 26.371 21.422 22.366
140 HB3 LEU 18 3HB LEU 18 24.765 20.701 22.354
141 HG LEU 18 HG LEU 18 27.311 19.051 22.400
142 HD11 LEU 18 1HD1 LEU 18 26.826 18.774 24.784
143 HD12 LEU 18 2HD1 LEU 18 27.034 20.490 24.433
144 HD13 LEU 18 3HD1 LEU 18 25.402 19.820 24.658
145 HD21 LEU 18 3HD2 LEU 18 25.773 17.261 23.195
146 HD22 LEU 18 1HD2 LEU 18 24.392 18.341 22.938
147 HD23 LEU 18 2HD2 LEU 18 25.361 17.779 21.563
148 H GLY 19 H GLY 19 23.507 19.912 19.788
149 HA2 GLY 19 3HA GLY 19 22.888 22.618 18.653
150 HA3 GLY 19 3HA GLY 19 22.048 21.134 18.253
151 H LYS 20 H LYS 20 21.698 23.956 19.781
152 HA LYS 20 HA LYS 20 19.544 23.024 21.658
153 HB2 LYS 20 2HB LYS 20 21.342 25.497 21.836
154 HB3 LYS 20 3HB LYS 20 19.968 25.167 22.861
155 HG2 LYS 20 2HG LYS 20 21.844 24.715 24.132
156 HG3 LYS 20 3HG LYS 20 21.126 23.146 23.771
157 HD2 LYS 20 2HD LYS 20 22.939 22.534 22.370
158 HD3 LYS 20 3HD LYS 20 23.405 24.216 22.079
159 HE2 LYS 20 2HE LYS 20 25.038 23.107 23.514
160 HE3 LYS 20 3HE LYS 20 24.253 24.444 24.358
161 HZ1 LYS 20 3HZ LYS 20 24.475 22.423 25.718
162 HZ2 LYS 20 1HZ LYS 20 22.914 22.882 25.563
163 HZ3 LYS 20 2HZ LYS 20 23.446 21.603 24.690
164 H CYS 21 H CYS 21 17.835 24.875 21.874
165 HA CYS 21 HA CYS 21 18.052 26.866 19.718
166 HB2 CYS 21 2HB CYS 21 16.150 26.542 18.650
167 HB3 CYS 21 3HB CYS 21 16.320 24.892 19.212
168 H ILE 22 H ILE 22 16.948 28.825 20.038
169 HA ILE 22 HA ILE 22 16.746 29.624 22.889
170 HB ILE 22 HB ILE 22 16.658 31.269 20.341
171 HG12 ILE 22 2HG1 ILE 22 18.895 30.696 22.339
172 HG13 ILE 22 3HG1 ILE 22 18.848 30.233 20.635
173 HG21 ILE 22 1HG2 ILE 22 15.445 32.344 22.226
174 HG22 ILE 22 2HG2 ILE 22 16.883 32.159 23.248
175 HG23 ILE 22 3HG2 ILE 22 16.905 33.219 21.819
176 HD11 ILE 22 3HD1 ILE 22 20.350 32.072 20.848
177 HD12 ILE 22 1HD1 ILE 22 18.899 32.673 20.016
178 HD13 ILE 22 2HD1 ILE 22 19.173 33.037 21.739
179 H GLY 23 H GLY 23 14.740 29.302 20.040
180 HA2 GLY 23 3HA GLY 23 12.411 28.482 21.317
181 HA3 GLY 23 3HA GLY 23 12.251 30.244 21.133
182 H GLU 24 H GLU 24 13.013 31.052 18.853
183 HA GLU 24 HA GLU 24 11.751 29.367 16.750
184 HB2 GLU 24 2HB GLU 24 10.810 31.589 17.232
185 HB3 GLU 24 3HB GLU 24 12.390 32.317 16.996
186 HG2 GLU 24 2HG GLU 24 11.304 32.815 15.097
187 HG3 GLU 24 3HG GLU 24 12.322 31.467 14.607
188 H GLU 25 H GLU 25 14.845 30.916 17.663
189 HA GLU 25 HA GLU 25 16.112 29.761 15.239
190 HB2 GLU 25 2HB GLU 25 17.969 31.211 15.560
191 HB3 GLU 25 3HB GLU 25 16.468 32.117 15.516
192 HG2 GLU 25 2HG GLU 25 16.573 32.110 18.105
193 HG3 GLU 25 3HG GLU 25 18.234 31.533 17.919
194 H CYS 26 H CYS 26 17.598 28.182 15.240
195 HA CYS 26 HA CYS 26 18.274 26.624 17.587
196 HB2 CYS 26 2HB CYS 26 19.503 26.776 14.823
197 HB3 CYS 26 3HB CYS 26 19.823 25.525 16.008
198 H LYS 27 H LYS 27 20.431 26.435 18.519
199 HA LYS 27 HA LYS 27 22.562 28.312 17.808
200 HB2 LYS 27 2HB LYS 27 20.814 28.998 19.999
201 HB3 LYS 27 3HB LYS 27 22.288 28.400 20.730
202 HG2 LYS 27 2HG LYS 27 22.399 30.810 20.478
203 HG3 LYS 27 3HG LYS 27 23.611 30.059 19.423
204 HD2 LYS 27 2HD LYS 27 22.233 30.391 17.468
205 HD3 LYS 27 3HD LYS 27 20.860 30.927 18.462
206 HE2 LYS 27 2HE LYS 27 22.171 32.929 19.128
207 HE3 LYS 27 3HE LYS 27 23.508 32.361 18.121
208 HZ1 LYS 27 3HZ LYS 27 20.795 33.147 17.179
209 HZ2 LYS 27 1HZ LYS 27 22.218 33.914 16.885
210 HZ3 LYS 27 2HZ LYS 27 21.908 32.441 16.202
211 H CYS 28 H CYS 28 24.701 27.701 18.970
212 HA CYS 28 HA CYS 28 24.715 24.954 19.921
213 HB2 CYS 28 2HB CYS 28 26.079 25.687 17.304
214 HB3 CYS 28 3HB CYS 28 26.154 24.152 18.134
215 H VAL 29 H VAL 29 26.795 24.219 20.527
216 HA VAL 29 HA VAL 29 29.001 26.154 20.661
217 HB VAL 29 HB VAL 29 29.209 25.701 23.149
218 HG11 VAL 29 1HG1 VAL 29 27.917 27.604 23.797
219 HG12 VAL 29 2HG1 VAL 29 28.592 27.911 22.192
220 HG13 VAL 29 3HG1 VAL 29 26.876 27.479 22.371
221 HG21 VAL 29 3HG2 VAL 29 27.238 25.273 24.455
222 HG22 VAL 29 1HG2 VAL 29 26.214 25.194 23.013
223 HG23 VAL 29 2HG2 VAL 29 27.434 23.933 23.318
224 HA PRO 30 HA PRO 30 31.107 22.517 19.806
225 HB2 PRO 30 2HB PRO 30 33.630 23.535 20.999
226 HB3 PRO 30 3HB PRO 30 33.266 23.070 19.316
227 HG2 PRO 30 2HG PRO 30 33.483 25.684 20.058
228 HG3 PRO 30 3HG PRO 30 32.226 25.158 18.888
229 HD2 PRO 30 2HD PRO 30 31.919 25.629 21.873
230 HD3 PRO 30 3HD PRO 30 30.939 26.247 20.523
231 H TYR 31 H TYR 31 30.549 20.670 20.795
232 HA TYR 31 HA TYR 31 32.078 19.564 23.006
233 HB2 TYR 31 2HB TYR 31 29.115 20.160 23.271
234 HB3 TYR 31 3HB TYR 31 29.920 18.929 24.227
235 HD1 TYR 31 HD1 TYR 31 31.903 19.629 25.721
236 HD2 TYR 31 HD2 TYR 31 29.110 22.420 24.004
237 HE1 TYR 31 HE1 TYR 31 32.503 21.300 27.472
238 HE2 TYR 31 HE2 TYR 31 29.711 24.101 25.763
239 HH TYR 31 HH TYR 31 32.046 23.345 28.360
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 8.211 24.418 24.390
2 H2 ALA 1 H2 ALA 1 8.747 23.797 25.799
3 H3 ALA 1 H3 ALA 1 7.163 23.645 25.380
4 HA ALA 1 HA ALA 1 9.424 22.404 23.977
5 HB1 ALA 1 3HB ALA 1 8.478 20.267 24.725
6 HB2 ALA 1 1HB ALA 1 8.953 21.273 26.109
7 HB3 ALA 1 2HB ALA 1 7.234 21.125 25.661
8 H PHE 2 H PHE 2 7.256 21.781 21.207
9 HA PHE 2 HA PHE 2 9.705 20.779 22.600
10 HB2 PHE 2 2HB PHE 2 7.901 19.143 22.049
11 HB3 PHE 2 3HB PHE 2 8.010 19.608 20.365
12 HD1 PHE 2 HD2 PHE 2 9.884 18.015 23.181
13 HD2 PHE 2 HD1 PHE 2 9.577 18.541 18.916
14 HE1 PHE 2 HE2 PHE 2 11.444 16.106 22.822
15 HE2 PHE 2 HE1 PHE 2 11.137 16.642 18.568
16 HZ PHE 2 HZ PHE 2 12.042 15.404 20.526
17 H CYS 3 H CYS 3 11.665 20.578 21.250
18 HA CYS 3 HA CYS 3 11.874 22.912 19.500
19 HB2 CYS 3 2HB CYS 3 13.332 22.862 21.268
20 HB3 CYS 3 3HB CYS 3 13.872 21.242 20.928
21 H ASN 4 H ASN 4 13.037 22.983 17.545
22 HA ASN 4 HA ASN 4 12.410 20.912 15.622
23 HB2 ASN 4 2HB ASN 4 13.367 22.330 13.990
24 HB3 ASN 4 3HB ASN 4 12.468 23.350 15.079
25 HD21 ASN 4 2HD2 ASN 4 13.948 24.481 16.866
26 HD22 ASN 4 1HD2 ASN 4 15.504 24.986 16.247
27 H LEU 5 H LEU 5 13.638 19.466 17.412
28 HA LEU 5 HA LEU 5 16.470 19.683 17.564
29 HB2 LEU 5 2HB LEU 5 14.480 17.523 18.359
30 HB3 LEU 5 3HB LEU 5 16.180 17.486 18.836
31 HG LEU 5 HG LEU 5 14.389 19.882 19.437
32 HD11 LEU 5 1HD1 LEU 5 14.182 18.918 21.743
33 HD12 LEU 5 2HD1 LEU 5 13.336 18.001 20.497
34 HD13 LEU 5 3HD1 LEU 5 14.889 17.410 21.130
35 HD21 LEU 5 3HD2 LEU 5 16.828 20.287 19.641
36 HD22 LEU 5 1HD2 LEU 5 16.103 20.218 21.252
37 HD23 LEU 5 2HD2 LEU 5 16.995 18.826 20.633
38 H ARG 6 H ARG 6 14.464 17.380 15.724
39 HA ARG 6 HA ARG 6 16.614 15.984 14.403
40 HB2 ARG 6 2HB ARG 6 13.758 16.605 13.513
41 HB3 ARG 6 3HB ARG 6 14.827 15.490 12.681
42 HG2 ARG 6 2HG ARG 6 13.915 15.128 15.568
43 HG3 ARG 6 3HG ARG 6 13.142 14.409 14.162
44 HD2 ARG 6 2HD ARG 6 15.348 13.284 13.598
45 HD3 ARG 6 3HD ARG 6 15.985 13.896 15.126
46 HE ARG 6 HE ARG 6 14.754 12.313 16.297
47 HH11 ARG 6 1HH1 ARG 6 13.408 12.362 13.032
48 HH12 ARG 6 2HH1 ARG 6 12.430 10.945 13.362
49 HH21 ARG 6 1HH2 ARG 6 13.700 10.421 16.506
50 HH22 ARG 6 2HH2 ARG 6 12.533 9.919 15.307
51 H ARG 7 H ARG 7 15.485 19.262 13.896
52 HA ARG 7 HA ARG 7 16.812 19.388 11.219
53 HB2 ARG 7 2HB ARG 7 15.035 21.337 12.718
54 HB3 ARG 7 3HB ARG 7 15.789 21.675 11.160
55 HG2 ARG 7 2HG ARG 7 14.460 20.161 9.986
56 HG3 ARG 7 3HG ARG 7 14.103 19.184 11.404
57 HD2 ARG 7 2HD ARG 7 12.103 20.332 10.737
58 HD3 ARG 7 3HD ARG 7 12.643 20.902 12.317
59 HE ARG 7 HE ARG 7 13.449 22.516 9.968
60 HH11 ARG 7 1HH1 ARG 7 11.134 22.288 12.655
61 HH12 ARG 7 2HH1 ARG 7 10.826 24.018 12.566
62 HH21 ARG 7 1HH2 ARG 7 12.783 24.640 9.865
63 HH22 ARG 7 2HH2 ARG 7 11.739 25.254 11.134
64 H CYS 8 H CYS 8 17.034 20.944 14.444
65 HA CYS 8 HA CYS 8 19.373 22.458 13.714
66 HB2 CYS 8 2HB CYS 8 17.829 23.332 15.329
67 HB3 CYS 8 3HB CYS 8 18.063 21.949 16.405
68 H GLU 9 H GLU 9 19.113 19.568 15.986
69 HA GLU 9 HA GLU 9 21.842 19.693 16.756
70 HB2 GLU 9 2HB GLU 9 19.873 17.390 16.597
71 HB3 GLU 9 3HB GLU 9 21.503 17.162 17.202
72 HG2 GLU 9 2HG GLU 9 19.950 19.423 18.439
73 HG3 GLU 9 3HG GLU 9 19.414 17.785 18.794
74 H LEU 10 H LEU 10 20.464 18.157 13.868
75 HA LEU 10 HA LEU 10 22.892 16.703 13.186
76 HB2 LEU 10 2HB LEU 10 20.453 17.366 11.487
77 HB3 LEU 10 3HB LEU 10 21.711 16.196 11.092
78 HG LEU 10 HG LEU 10 19.705 16.004 13.378
79 HD11 LEU 10 1HD1 LEU 10 18.872 14.082 12.136
80 HD12 LEU 10 2HD1 LEU 10 18.895 15.507 11.081
81 HD13 LEU 10 3HD1 LEU 10 20.157 14.271 10.917
82 HD21 LEU 10 3HD2 LEU 10 21.989 14.113 12.647
83 HD22 LEU 10 1HD2 LEU 10 21.810 15.019 14.170
84 HD23 LEU 10 2HD2 LEU 10 20.670 13.741 13.777
85 H SER 11 H SER 11 21.712 19.927 12.456
86 HA SER 11 HA SER 11 23.652 20.517 10.357
87 HB2 SER 11 2HB SER 11 21.886 22.230 12.143
88 HB3 SER 11 3HB SER 11 22.899 22.882 10.838
89 HG SER 11 HG SER 11 20.612 22.362 10.368
90 H CYS 12 H CYS 12 24.022 19.995 13.643
91 HA CYS 12 HA CYS 12 26.345 21.860 13.921
92 HB2 CYS 12 2HB CYS 12 24.095 21.082 15.815
93 HB3 CYS 12 3HB CYS 12 25.553 21.899 16.349
94 H ARG 13 H ARG 13 25.140 18.582 14.897
95 HA ARG 13 HA ARG 13 27.626 17.931 16.182
96 HB2 ARG 13 2HB ARG 13 25.225 16.870 16.432
97 HB3 ARG 13 3HB ARG 13 25.734 15.845 15.105
98 HG2 ARG 13 2HG ARG 13 26.216 14.664 17.122
99 HG3 ARG 13 3HG ARG 13 27.761 15.184 16.486
100 HD2 ARG 13 2HD ARG 13 28.051 15.692 18.696
101 HD3 ARG 13 3HD ARG 13 27.427 17.246 18.164
102 HE ARG 13 HE ARG 13 26.089 15.195 19.836
103 HH11 ARG 13 1HH1 ARG 13 25.567 18.367 18.327
104 HH12 ARG 13 2HH1 ARG 13 23.942 18.415 19.005
105 HH21 ARG 13 1HH2 ARG 13 24.301 15.584 20.846
106 HH22 ARG 13 2HH2 ARG 13 23.248 16.940 20.381
107 H SER 14 H SER 14 26.960 18.131 12.857
108 HA SER 14 HA SER 14 28.830 16.338 11.702
109 HB2 SER 14 2HB SER 14 28.836 17.999 9.849
110 HB3 SER 14 3HB SER 14 27.199 17.605 10.408
111 HG SER 14 HG SER 14 28.383 19.982 10.304
112 H LEU 15 H LEU 15 29.368 19.337 13.452
113 HA LEU 15 HA LEU 15 32.344 19.148 13.076
114 HB2 LEU 15 2HB LEU 15 30.493 21.317 14.105
115 HB3 LEU 15 3HB LEU 15 32.245 21.462 14.123
116 HG LEU 15 HG LEU 15 30.569 21.151 11.599
117 HD11 LEU 15 1HD1 LEU 15 30.073 23.260 12.767
118 HD12 LEU 15 2HD1 LEU 15 31.809 23.640 12.841
119 HD13 LEU 15 3HD1 LEU 15 30.969 23.535 11.271
120 HD21 LEU 15 3HD2 LEU 15 32.697 22.002 10.542
121 HD22 LEU 15 1HD2 LEU 15 33.505 21.789 12.114
122 HD23 LEU 15 2HD2 LEU 15 32.845 20.389 11.244
123 H GLY 16 H GLY 16 30.012 18.062 15.176
124 HA2 GLY 16 3HA GLY 16 30.090 17.268 17.337
125 HA3 GLY 16 3HA GLY 16 31.745 17.869 17.523
126 H LEU 17 H LEU 17 29.195 20.107 16.480
127 HA LEU 17 HA LEU 17 29.395 21.538 19.054
128 HB2 LEU 17 2HB LEU 17 27.453 22.398 16.978
129 HB3 LEU 17 3HB LEU 17 28.365 23.346 18.109
130 HG LEU 17 HG LEU 17 29.180 22.262 15.428
131 HD11 LEU 17 1HD1 LEU 17 29.503 24.632 14.898
132 HD12 LEU 17 2HD1 LEU 17 27.860 24.312 15.465
133 HD13 LEU 17 3HD1 LEU 17 29.044 25.077 16.551
134 HD21 LEU 17 3HD2 LEU 17 31.376 23.288 15.628
135 HD22 LEU 17 1HD2 LEU 17 31.052 23.725 17.329
136 HD23 LEU 17 2HD2 LEU 17 31.212 22.021 16.834
137 H LEU 18 H LEU 18 27.629 21.928 20.405
138 HA LEU 18 HA LEU 18 25.373 19.987 20.310
139 HB2 LEU 18 2HB LEU 18 26.665 21.665 22.481
140 HB3 LEU 18 3HB LEU 18 25.001 21.103 22.633
141 HG LEU 18 HG LEU 18 25.699 18.765 22.388
142 HD11 LEU 18 1HD1 LEU 18 27.767 18.870 21.114
143 HD12 LEU 18 2HD1 LEU 18 28.540 19.874 22.367
144 HD13 LEU 18 3HD1 LEU 18 28.119 18.177 22.693
145 HD21 LEU 18 3HD2 LEU 18 26.767 18.584 24.598
146 HD22 LEU 18 1HD2 LEU 18 27.222 20.303 24.537
147 HD23 LEU 18 2HD2 LEU 18 25.510 19.828 24.613
148 H GLY 19 H GLY 19 23.319 20.648 20.097
149 HA2 GLY 19 3HA GLY 19 22.835 23.450 19.214
150 HA3 GLY 19 3HA GLY 19 21.760 22.078 18.988
151 H LYS 20 H LYS 20 21.719 24.911 20.333
152 HA LYS 20 HA LYS 20 20.267 24.151 22.845
153 HB2 LYS 20 2HB LYS 20 21.989 26.629 22.377
154 HB3 LYS 20 3HB LYS 20 20.929 26.355 23.748
155 HG2 LYS 20 2HG LYS 20 22.934 25.794 24.665
156 HG3 LYS 20 3HG LYS 20 22.342 24.199 24.186
157 HD2 LYS 20 2HD LYS 20 23.779 24.278 22.165
158 HD3 LYS 20 3HD LYS 20 24.297 25.901 22.570
159 HE2 LYS 20 2HE LYS 20 24.859 23.381 24.199
160 HE3 LYS 20 3HE LYS 20 25.984 24.182 23.091
161 HZ1 LYS 20 3HZ LYS 20 25.710 26.204 24.602
162 HZ2 LYS 20 1HZ LYS 20 24.982 25.198 25.670
163 HZ3 LYS 20 2HZ LYS 20 26.542 24.929 25.230
164 H CYS 21 H CYS 21 18.197 24.637 22.773
165 HA CYS 21 HA CYS 21 17.213 25.906 20.362
166 HB2 CYS 21 2HB CYS 21 15.779 24.530 22.643
167 HB3 CYS 21 3HB CYS 21 15.032 25.042 21.135
168 H ILE 22 H ILE 22 15.902 27.545 19.999
169 HA ILE 22 HA ILE 22 14.747 29.147 22.255
170 HB ILE 22 HB ILE 22 14.962 29.862 19.317
171 HG12 ILE 22 2HG1 ILE 22 16.402 31.027 21.753
172 HG13 ILE 22 3HG1 ILE 22 17.146 29.954 20.566
173 HG21 ILE 22 1HG2 ILE 22 13.852 31.434 21.685
174 HG22 ILE 22 2HG2 ILE 22 14.063 32.052 20.030
175 HG23 ILE 22 3HG2 ILE 22 12.910 30.774 20.333
176 HD11 ILE 22 3HD1 ILE 22 16.160 32.769 20.038
177 HD12 ILE 22 1HD1 ILE 22 17.819 32.161 20.019
178 HD13 ILE 22 2HD1 ILE 22 16.674 31.619 18.776
179 H GLY 23 H GLY 23 14.100 27.068 19.515
180 HA2 GLY 23 3HA GLY 23 12.214 25.450 20.506
181 HA3 GLY 23 3HA GLY 23 11.212 26.854 20.097
182 H GLU 24 H GLU 24 11.403 27.716 17.931
183 HA GLU 24 HA GLU 24 11.673 25.668 15.791
184 HB2 GLU 24 2HB GLU 24 9.603 26.842 15.801
185 HB3 GLU 24 3HB GLU 24 10.382 28.390 16.090
186 HG2 GLU 24 2HG GLU 24 9.555 28.243 13.854
187 HG3 GLU 24 3HG GLU 24 11.300 28.465 13.878
188 H GLU 25 H GLU 25 13.172 28.585 17.105
189 HA GLU 25 HA GLU 25 15.421 28.225 15.174
190 HB2 GLU 25 2HB GLU 25 14.573 30.663 16.724
191 HB3 GLU 25 3HB GLU 25 16.197 30.490 16.064
192 HG2 GLU 25 2HG GLU 25 13.609 30.436 14.478
193 HG3 GLU 25 3HG GLU 25 14.816 31.726 14.491
194 H CYS 26 H CYS 26 17.568 28.722 16.054
195 HA CYS 26 HA CYS 26 18.119 27.310 18.607
196 HB2 CYS 26 2HB CYS 26 17.700 25.887 16.317
197 HB3 CYS 26 3HB CYS 26 19.382 26.303 16.071
198 H LYS 27 H LYS 27 20.401 27.326 19.132
199 HA LYS 27 HA LYS 27 22.346 28.680 17.346
200 HB2 LYS 27 2HB LYS 27 22.161 29.068 20.372
201 HB3 LYS 27 3HB LYS 27 23.559 29.504 19.401
202 HG2 LYS 27 2HG LYS 27 20.802 30.772 19.194
203 HG3 LYS 27 3HG LYS 27 22.241 31.455 19.952
204 HD2 LYS 27 2HD LYS 27 23.404 31.306 17.679
205 HD3 LYS 27 3HD LYS 27 21.810 30.891 17.002
206 HE2 LYS 27 2HE LYS 27 20.912 33.026 18.055
207 HE3 LYS 27 3HE LYS 27 22.571 33.433 18.515
208 HZ1 LYS 27 3HZ LYS 27 23.135 33.414 16.101
209 HZ2 LYS 27 1HZ LYS 27 21.566 33.091 15.739
210 HZ3 LYS 27 2HZ LYS 27 21.957 34.504 16.442
211 H CYS 28 H CYS 28 24.637 27.883 17.927
212 HA CYS 28 HA CYS 28 24.699 25.383 19.408
213 HB2 CYS 28 2HB CYS 28 25.691 25.436 16.547
214 HB3 CYS 28 3HB CYS 28 25.823 24.114 17.680
215 H VAL 29 H VAL 29 26.742 24.755 20.027
216 HA VAL 29 HA VAL 29 29.142 26.275 19.262
217 HB VAL 29 HB VAL 29 29.638 26.763 21.685
218 HG11 VAL 29 1HG1 VAL 29 28.545 28.868 21.794
219 HG12 VAL 29 2HG1 VAL 29 28.928 28.543 20.093
220 HG13 VAL 29 3HG1 VAL 29 27.267 28.342 20.691
221 HG21 VAL 29 3HG2 VAL 29 27.953 25.326 22.756
222 HG22 VAL 29 1HG2 VAL 29 27.867 27.011 23.291
223 HG23 VAL 29 2HG2 VAL 29 26.669 26.397 22.140
224 HA PRO 30 HA PRO 30 31.014 22.361 20.038
225 HB2 PRO 30 2HB PRO 30 33.417 22.937 21.325
226 HB3 PRO 30 3HB PRO 30 33.106 23.009 19.569
227 HG2 PRO 30 2HG PRO 30 33.072 25.263 21.580
228 HG3 PRO 30 3HG PRO 30 33.752 25.253 19.928
229 HD2 PRO 30 2HD PRO 30 31.354 26.374 20.441
230 HD3 PRO 30 3HD PRO 30 31.613 25.448 18.935
231 H TYR 31 H TYR 31 30.798 24.406 22.976
232 HA TYR 31 HA TYR 31 29.352 22.273 24.235
233 HB2 TYR 31 2HB TYR 31 31.927 21.987 24.775
234 HB3 TYR 31 3HB TYR 31 31.685 23.365 25.848
235 HD1 TYR 31 HD1 TYR 31 30.087 20.184 24.824
236 HD2 TYR 31 HD2 TYR 31 30.874 22.901 28.042
237 HE1 TYR 31 HE1 TYR 31 28.979 18.578 26.421
238 HE2 TYR 31 HE2 TYR 31 29.765 21.326 29.650
239 HH TYR 31 HH TYR 31 28.462 18.167 28.631
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 8.355 28.215 23.985
2 H2 ALA 1 H2 ALA 1 8.626 27.619 22.465
3 H3 ALA 1 H3 ALA 1 9.883 28.045 23.427
4 HA ALA 1 HA ALA 1 9.371 26.330 24.989
5 HB1 ALA 1 3HB ALA 1 7.184 25.528 23.022
6 HB2 ALA 1 1HB ALA 1 7.667 24.642 24.478
7 HB3 ALA 1 2HB ALA 1 6.934 26.243 24.628
8 H PHE 2 H PHE 2 9.225 25.767 21.373
9 HA PHE 2 HA PHE 2 11.473 23.859 21.696
10 HB2 PHE 2 2HB PHE 2 9.088 22.809 21.922
11 HB3 PHE 2 3HB PHE 2 8.978 23.067 20.178
12 HD1 PHE 2 HD1 PHE 2 10.864 21.354 22.913
13 HD2 PHE 2 HD2 PHE 2 10.161 21.550 18.660
14 HE1 PHE 2 HE1 PHE 2 12.046 19.199 22.609
15 HE2 PHE 2 HE2 PHE 2 11.343 19.399 18.377
16 HZ PHE 2 HZ PHE 2 12.285 18.201 20.346
17 H CYS 3 H CYS 3 12.483 23.204 19.711
18 HA CYS 3 HA CYS 3 12.407 25.302 17.616
19 HB2 CYS 3 2HB CYS 3 14.764 24.144 19.009
20 HB3 CYS 3 3HB CYS 3 14.830 25.231 17.629
21 H ASN 4 H ASN 4 13.908 24.672 15.670
22 HA ASN 4 HA ASN 4 12.999 22.159 14.563
23 HB2 ASN 4 2HB ASN 4 14.236 22.719 12.608
24 HB3 ASN 4 3HB ASN 4 13.368 24.124 13.161
25 HD21 ASN 4 2HD2 ASN 4 15.359 24.379 11.327
26 HD22 ASN 4 1HD2 ASN 4 16.727 25.215 12.068
27 H LEU 5 H LEU 5 14.151 21.370 16.886
28 HA LEU 5 HA LEU 5 16.986 20.994 16.798
29 HB2 LEU 5 2HB LEU 5 14.861 19.582 18.472
30 HB3 LEU 5 3HB LEU 5 16.584 19.459 18.717
31 HG LEU 5 HG LEU 5 16.330 21.000 20.214
32 HD11 LEU 5 1HD1 LEU 5 16.236 22.961 17.924
33 HD12 LEU 5 2HD1 LEU 5 16.740 23.278 19.603
34 HD13 LEU 5 3HD1 LEU 5 17.666 22.171 18.614
35 HD21 LEU 5 3HD2 LEU 5 14.437 22.525 20.501
36 HD22 LEU 5 1HD2 LEU 5 13.749 21.845 18.999
37 HD23 LEU 5 2HD2 LEU 5 14.035 20.822 20.392
38 H ARG 6 H ARG 6 14.418 18.895 15.717
39 HA ARG 6 HA ARG 6 16.185 16.632 15.117
40 HB2 ARG 6 2HB ARG 6 13.357 17.234 14.208
41 HB3 ARG 6 3HB ARG 6 14.218 15.742 13.869
42 HG2 ARG 6 2HG ARG 6 13.557 16.726 16.690
43 HG3 ARG 6 3HG ARG 6 12.589 15.605 15.743
44 HD2 ARG 6 2HD ARG 6 13.819 14.203 17.137
45 HD3 ARG 6 3HD ARG 6 14.628 14.105 15.576
46 HE ARG 6 HE ARG 6 15.630 15.954 17.725
47 HH11 ARG 6 1HH1 ARG 6 16.233 12.941 15.990
48 HH12 ARG 6 2HH1 ARG 6 17.938 12.987 16.390
49 HH21 ARG 6 1HH2 ARG 6 17.846 15.926 18.109
50 HH22 ARG 6 2HH2 ARG 6 18.776 14.542 17.558
51 H ARG 7 H ARG 7 15.904 19.617 13.549
52 HA ARG 7 HA ARG 7 17.646 18.437 11.397
53 HB2 ARG 7 2HB ARG 7 15.672 20.106 10.865
54 HB3 ARG 7 3HB ARG 7 16.745 21.333 11.513
55 HG2 ARG 7 2HG ARG 7 17.195 21.380 9.209
56 HG3 ARG 7 3HG ARG 7 18.520 20.381 9.835
57 HD2 ARG 7 2HD ARG 7 17.238 18.339 9.231
58 HD3 ARG 7 3HD ARG 7 15.913 19.321 8.631
59 HE ARG 7 HE ARG 7 18.539 18.832 7.348
60 HH11 ARG 7 1HH1 ARG 7 15.650 20.869 7.163
61 HH12 ARG 7 2HH1 ARG 7 15.820 21.014 5.422
62 HH21 ARG 7 1HH2 ARG 7 18.756 19.239 5.303
63 HH22 ARG 7 2HH2 ARG 7 17.594 20.221 4.393
64 H CYS 8 H CYS 8 17.590 21.101 13.775
65 HA CYS 8 HA CYS 8 20.177 22.034 13.303
66 HB2 CYS 8 2HB CYS 8 18.266 23.145 14.535
67 HB3 CYS 8 3HB CYS 8 18.680 22.168 15.939
68 H GLU 9 H GLU 9 19.208 19.583 15.788
69 HA GLU 9 HA GLU 9 21.791 19.480 17.057
70 HB2 GLU 9 2HB GLU 9 19.486 17.484 16.986
71 HB3 GLU 9 3HB GLU 9 20.919 17.333 17.982
72 HG2 GLU 9 2HG GLU 9 20.409 19.503 19.089
73 HG3 GLU 9 3HG GLU 9 18.928 19.633 18.151
74 H LEU 10 H LEU 10 20.501 17.870 14.214
75 HA LEU 10 HA LEU 10 22.766 15.963 14.025
76 HB2 LEU 10 2HB LEU 10 20.339 16.518 12.272
77 HB3 LEU 10 3HB LEU 10 21.556 15.303 11.910
78 HG LEU 10 HG LEU 10 19.841 15.283 14.435
79 HD11 LEU 10 1HD1 LEU 10 18.496 14.969 12.411
80 HD12 LEU 10 2HD1 LEU 10 19.579 13.676 11.857
81 HD13 LEU 10 3HD1 LEU 10 18.610 13.466 13.335
82 HD21 LEU 10 3HD2 LEU 10 21.667 13.168 13.195
83 HD22 LEU 10 1HD2 LEU 10 21.952 14.042 14.714
84 HD23 LEU 10 2HD2 LEU 10 20.598 12.922 14.594
85 H SER 11 H SER 11 21.853 19.112 12.760
86 HA SER 11 HA SER 11 23.973 19.054 10.694
87 HB2 SER 11 2HB SER 11 21.984 21.159 11.567
88 HB3 SER 11 3HB SER 11 23.311 21.507 10.438
89 HG SER 11 HG SER 11 22.565 19.892 9.072
90 H CYS 12 H CYS 12 23.588 20.531 13.959
91 HA CYS 12 HA CYS 12 26.143 21.875 13.791
92 HB2 CYS 12 2HB CYS 12 24.221 21.225 16.031
93 HB3 CYS 12 3HB CYS 12 25.804 21.931 16.349
94 H ARG 13 H ARG 13 25.252 18.593 14.943
95 HA ARG 13 HA ARG 13 27.952 17.929 15.734
96 HB2 ARG 13 2HB ARG 13 25.530 16.221 15.132
97 HB3 ARG 13 3HB ARG 13 27.062 15.570 15.694
98 HG2 ARG 13 2HG ARG 13 25.359 17.570 17.240
99 HG3 ARG 13 3HG ARG 13 25.430 15.834 17.509
100 HD2 ARG 13 2HD ARG 13 27.959 16.163 17.949
101 HD3 ARG 13 3HD ARG 13 27.592 17.894 18.014
102 HE ARG 13 HE ARG 13 25.945 16.140 19.730
103 HH11 ARG 13 1HH1 ARG 13 28.817 18.187 19.797
104 HH12 ARG 13 2HH1 ARG 13 28.725 18.374 21.532
105 HH21 ARG 13 1HH2 ARG 13 25.953 16.298 21.804
106 HH22 ARG 13 2HH2 ARG 13 27.207 17.186 22.678
107 H SER 14 H SER 14 26.765 18.415 12.567
108 HA SER 14 HA SER 14 28.538 16.652 11.161
109 HB2 SER 14 2HB SER 14 27.653 19.401 10.249
110 HB3 SER 14 3HB SER 14 28.129 18.012 9.256
111 HG SER 14 HG SER 14 26.037 17.748 9.210
112 H LEU 15 H LEU 15 28.981 19.901 12.554
113 HA LEU 15 HA LEU 15 31.917 19.883 12.097
114 HB2 LEU 15 2HB LEU 15 29.940 21.655 13.570
115 HB3 LEU 15 3HB LEU 15 31.659 21.766 13.930
116 HG LEU 15 HG LEU 15 30.541 22.158 11.140
117 HD11 LEU 15 1HD1 LEU 15 29.601 23.856 12.669
118 HD12 LEU 15 2HD1 LEU 15 31.240 24.260 13.235
119 HD13 LEU 15 3HD1 LEU 15 30.775 24.571 11.554
120 HD21 LEU 15 3HD2 LEU 15 32.700 23.303 10.760
121 HD22 LEU 15 1HD2 LEU 15 33.202 22.944 12.423
122 HD23 LEU 15 2HD2 LEU 15 32.972 21.627 11.254
123 H GLY 16 H GLY 16 29.559 19.444 14.716
124 HA2 GLY 16 3HA GLY 16 30.205 17.465 16.289
125 HA3 GLY 16 3HA GLY 16 31.681 18.396 16.539
126 H LEU 17 H LEU 17 29.273 20.696 16.147
127 HA LEU 17 HA LEU 17 29.491 21.447 18.932
128 HB2 LEU 17 2HB LEU 17 27.531 22.842 17.199
129 HB3 LEU 17 3HB LEU 17 28.687 23.495 18.327
130 HG LEU 17 HG LEU 17 29.200 22.585 15.477
131 HD11 LEU 17 1HD1 LEU 17 29.563 24.994 15.068
132 HD12 LEU 17 2HD1 LEU 17 27.930 24.670 15.664
133 HD13 LEU 17 3HD1 LEU 17 29.161 25.347 16.755
134 HD21 LEU 17 3HD2 LEU 17 31.276 22.273 16.863
135 HD22 LEU 17 1HD2 LEU 17 31.422 23.522 15.621
136 HD23 LEU 17 2HD2 LEU 17 31.175 23.986 17.322
137 H LEU 18 H LEU 18 27.818 21.638 20.512
138 HA LEU 18 HA LEU 18 25.642 19.726 20.426
139 HB2 LEU 18 2HB LEU 18 27.130 19.891 22.339
140 HB3 LEU 18 3HB LEU 18 27.042 21.645 22.343
141 HG LEU 18 HG LEU 18 24.676 21.551 23.052
142 HD11 LEU 18 1HD1 LEU 18 23.775 19.420 23.902
143 HD12 LEU 18 2HD1 LEU 18 24.087 19.296 22.171
144 HD13 LEU 18 3HD1 LEU 18 25.216 18.562 23.336
145 HD21 LEU 18 3HD2 LEU 18 25.146 20.805 25.353
146 HD22 LEU 18 1HD2 LEU 18 26.648 20.034 24.803
147 HD23 LEU 18 2HD2 LEU 18 26.462 21.796 24.697
148 H GLY 19 H GLY 19 23.551 20.312 19.922
149 HA2 GLY 19 3HA GLY 19 22.868 23.105 19.342
150 HA3 GLY 19 3HA GLY 19 21.841 21.698 19.127
151 H LYS 20 H LYS 20 21.528 24.444 20.378
152 HA LYS 20 HA LYS 20 20.044 23.641 22.853
153 HB2 LYS 20 2HB LYS 20 21.807 26.071 22.325
154 HB3 LYS 20 3HB LYS 20 20.385 26.229 23.335
155 HG2 LYS 20 2HG LYS 20 22.042 25.909 24.867
156 HG3 LYS 20 3HG LYS 20 21.246 24.339 24.763
157 HD2 LYS 20 2HD LYS 20 23.121 23.464 23.408
158 HD3 LYS 20 3HD LYS 20 23.839 25.075 23.338
159 HE2 LYS 20 2HE LYS 20 24.978 23.675 25.012
160 HE3 LYS 20 3HE LYS 20 24.217 25.095 25.746
161 HZ1 LYS 20 3HZ LYS 20 22.389 23.662 26.466
162 HZ2 LYS 20 1HZ LYS 20 23.034 22.359 25.767
163 HZ3 LYS 20 2HZ LYS 20 23.780 23.058 27.052
164 H CYS 21 H CYS 21 18.008 24.465 23.061
165 HA CYS 21 HA CYS 21 16.879 26.152 20.858
166 HB2 CYS 21 2HB CYS 21 15.749 23.990 21.330
167 HB3 CYS 21 3HB CYS 21 15.495 24.483 22.997
168 H ILE 22 H ILE 22 16.968 28.302 21.354
169 HA ILE 22 HA ILE 22 17.023 29.075 24.220
170 HB ILE 22 HB ILE 22 17.856 31.159 23.650
171 HG12 ILE 22 2HG1 ILE 22 18.132 30.333 20.737
172 HG13 ILE 22 3HG1 ILE 22 16.724 31.243 21.307
173 HG21 ILE 22 1HG2 ILE 22 20.085 30.420 23.025
174 HG22 ILE 22 2HG2 ILE 22 19.336 29.190 24.036
175 HG23 ILE 22 3HG2 ILE 22 19.442 28.942 22.279
176 HD11 ILE 22 3HD1 ILE 22 18.193 32.978 22.239
177 HD12 ILE 22 1HD1 ILE 22 19.615 32.119 21.624
178 HD13 ILE 22 2HD1 ILE 22 18.432 32.781 20.478
179 H GLY 23 H GLY 23 14.559 28.501 22.328
180 HA2 GLY 23 3HA GLY 23 12.575 29.210 23.937
181 HA3 GLY 23 3HA GLY 23 12.799 30.755 23.098
182 H GLU 24 H GLU 24 12.988 30.501 20.670
183 HA GLU 24 HA GLU 24 11.371 28.276 19.465
184 HB2 GLU 24 2HB GLU 24 11.111 31.259 18.857
185 HB3 GLU 24 3HB GLU 24 10.427 29.968 17.859
186 HG2 GLU 24 2HG GLU 24 9.125 29.161 19.830
187 HG3 GLU 24 3HG GLU 24 9.705 30.542 20.756
188 H GLU 25 H GLU 25 14.265 30.144 19.398
189 HA GLU 25 HA GLU 25 14.934 29.046 16.705
190 HB2 GLU 25 2HB GLU 25 16.065 31.548 17.985
191 HB3 GLU 25 3HB GLU 25 16.527 30.839 16.426
192 HG2 GLU 25 2HG GLU 25 14.078 31.085 15.719
193 HG3 GLU 25 3HG GLU 25 13.847 32.080 17.158
194 H CYS 26 H CYS 26 16.898 28.097 16.332
195 HA CYS 26 HA CYS 26 18.107 26.796 18.644
196 HB2 CYS 26 2HB CYS 26 17.483 25.683 16.426
197 HB3 CYS 26 3HB CYS 26 18.892 26.504 15.745
198 H LYS 27 H LYS 27 20.250 26.828 19.233
199 HA LYS 27 HA LYS 27 22.286 28.504 17.877
200 HB2 LYS 27 2HB LYS 27 21.739 28.489 20.890
201 HB3 LYS 27 3HB LYS 27 23.167 29.193 20.140
202 HG2 LYS 27 2HG LYS 27 20.304 30.164 19.731
203 HG3 LYS 27 3HG LYS 27 21.527 30.890 20.777
204 HD2 LYS 27 2HD LYS 27 22.980 31.234 18.758
205 HD3 LYS 27 3HD LYS 27 21.639 30.675 17.741
206 HE2 LYS 27 2HE LYS 27 20.215 32.515 18.679
207 HE3 LYS 27 3HE LYS 27 21.587 33.042 19.664
208 HZ1 LYS 27 3HZ LYS 27 21.295 33.212 16.739
209 HZ2 LYS 27 1HZ LYS 27 21.619 34.399 17.790
210 HZ3 LYS 27 2HZ LYS 27 22.792 33.283 17.424
211 H CYS 28 H CYS 28 24.572 27.699 18.569
212 HA CYS 28 HA CYS 28 24.535 25.050 19.777
213 HB2 CYS 28 2HB CYS 28 25.798 25.491 17.058
214 HB3 CYS 28 3HB CYS 28 25.862 24.029 18.042
215 H VAL 29 H VAL 29 26.583 24.294 20.405
216 HA VAL 29 HA VAL 29 28.649 26.399 20.796
217 HB VAL 29 HB VAL 29 28.575 25.935 23.200
218 HG11 VAL 29 1HG1 VAL 29 26.626 27.207 23.794
219 HG12 VAL 29 2HG1 VAL 29 27.340 27.866 22.319
220 HG13 VAL 29 3HG1 VAL 29 25.860 26.876 22.233
221 HG21 VAL 29 3HG2 VAL 29 27.601 23.719 23.302
222 HG22 VAL 29 1HG2 VAL 29 26.610 24.857 24.219
223 HG23 VAL 29 2HG2 VAL 29 26.066 24.319 22.625
224 HA PRO 30 HA PRO 30 31.281 23.091 20.035
225 HB2 PRO 30 2HB PRO 30 33.735 24.098 20.529
226 HB3 PRO 30 3HB PRO 30 32.591 24.931 19.452
227 HG2 PRO 30 2HG PRO 30 33.010 25.470 22.406
228 HG3 PRO 30 3HG PRO 30 33.127 26.650 21.053
229 HD2 PRO 30 2HD PRO 30 30.820 26.317 22.495
230 HD3 PRO 30 3HD PRO 30 30.800 26.645 20.731
231 H TYR 31 H TYR 31 30.009 22.280 22.368
232 HA TYR 31 HA TYR 31 32.104 20.585 23.553
233 HB2 TYR 31 2HB TYR 31 31.255 21.049 25.895
234 HB3 TYR 31 3HB TYR 31 32.255 22.237 25.114
235 HD1 TYR 31 HD1 TYR 31 28.669 21.510 25.912
236 HD2 TYR 31 HD2 TYR 31 31.650 24.485 25.028
237 HE1 TYR 31 HE1 TYR 31 27.101 23.297 26.656
238 HE2 TYR 31 HE2 TYR 31 30.094 26.276 25.766
239 HH TYR 31 HH TYR 31 28.035 26.770 26.619
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 10.538 25.051 24.687
2 H2 ALA 1 H2 ALA 1 9.998 25.712 26.096
3 H3 ALA 1 H3 ALA 1 9.144 24.502 25.376
4 HA ALA 1 HA ALA 1 11.823 24.269 26.537
5 HB1 ALA 1 3HB ALA 1 10.750 22.791 28.196
6 HB2 ALA 1 1HB ALA 1 10.068 24.424 28.257
7 HB3 ALA 1 2HB ALA 1 9.164 23.106 27.476
8 H PHE 2 H PHE 2 12.935 22.390 26.157
9 HA PHE 2 HA PHE 2 13.783 20.782 24.857
10 HB2 PHE 2 2HB PHE 2 12.161 19.424 26.088
11 HB3 PHE 2 3HB PHE 2 10.983 19.639 24.808
12 HD1 PHE 2 HD1 PHE 2 14.180 18.017 25.752
13 HD2 PHE 2 HD2 PHE 2 11.211 18.465 22.659
14 HE1 PHE 2 HE1 PHE 2 15.115 16.048 24.563
15 HE2 PHE 2 HE2 PHE 2 12.139 16.484 21.485
16 HZ PHE 2 HZ PHE 2 14.096 15.278 22.431
17 H CYS 3 H CYS 3 14.587 21.747 23.114
18 HA CYS 3 HA CYS 3 13.013 22.950 21.116
19 HB2 CYS 3 2HB CYS 3 15.878 22.297 20.667
20 HB3 CYS 3 3HB CYS 3 14.959 23.655 20.088
21 H ASN 4 H ASN 4 13.415 22.630 18.705
22 HA ASN 4 HA ASN 4 12.741 19.888 17.908
23 HB2 ASN 4 2HB ASN 4 13.144 22.452 16.328
24 HB3 ASN 4 3HB ASN 4 12.680 20.903 15.616
25 HD21 ASN 4 2HD2 ASN 4 10.827 22.543 14.951
26 HD22 ASN 4 1HD2 ASN 4 9.456 22.504 16.070
27 H LEU 5 H LEU 5 14.886 19.592 19.225
28 HA LEU 5 HA LEU 5 17.485 20.061 18.246
29 HB2 LEU 5 2HB LEU 5 16.428 17.871 20.078
30 HB3 LEU 5 3HB LEU 5 18.110 18.346 19.928
31 HG LEU 5 HG LEU 5 15.915 20.232 20.895
32 HD11 LEU 5 1HD1 LEU 5 16.797 19.826 23.147
33 HD12 LEU 5 2HD1 LEU 5 16.144 18.347 22.430
34 HD13 LEU 5 3HD1 LEU 5 17.903 18.598 22.498
35 HD21 LEU 5 3HD2 LEU 5 17.934 21.399 20.031
36 HD22 LEU 5 1HD2 LEU 5 17.852 21.515 21.801
37 HD23 LEU 5 2HD2 LEU 5 18.964 20.364 21.040
38 H ARG 6 H ARG 6 15.353 17.195 17.775
39 HA ARG 6 HA ARG 6 17.244 15.664 16.268
40 HB2 ARG 6 2HB ARG 6 14.205 15.712 16.122
41 HB3 ARG 6 3HB ARG 6 15.219 14.490 15.360
42 HG2 ARG 6 2HG ARG 6 14.959 14.973 18.361
43 HG3 ARG 6 3HG ARG 6 14.286 13.653 17.422
44 HD2 ARG 6 2HD ARG 6 16.120 12.587 18.265
45 HD3 ARG 6 3HD ARG 6 16.786 13.164 16.750
46 HE ARG 6 HE ARG 6 18.252 14.555 17.952
47 HH11 ARG 6 1HH1 ARG 6 15.900 13.314 20.315
48 HH12 ARG 6 2HH1 ARG 6 16.885 13.983 21.615
49 HH21 ARG 6 1HH2 ARG 6 19.371 15.139 19.684
50 HH22 ARG 6 2HH2 ARG 6 18.661 14.975 21.300
51 H ARG 7 H ARG 7 15.846 18.595 15.278
52 HA ARG 7 HA ARG 7 16.903 18.154 12.500
53 HB2 ARG 7 2HB ARG 7 15.087 20.419 13.392
54 HB3 ARG 7 3HB ARG 7 15.582 19.988 11.753
55 HG2 ARG 7 2HG ARG 7 14.338 17.742 12.140
56 HG3 ARG 7 3HG ARG 7 13.687 18.489 13.610
57 HD2 ARG 7 2HD ARG 7 12.048 18.847 11.958
58 HD3 ARG 7 3HD ARG 7 12.865 20.412 12.135
59 HE ARG 7 HE ARG 7 14.159 18.880 10.079
60 HH11 ARG 7 1HH2 ARG 7 11.089 20.588 10.421
61 HH12 ARG 7 2HH2 ARG 7 10.888 20.599 8.672
62 HH21 ARG 7 1HH1 ARG 7 13.777 18.904 8.044
63 HH22 ARG 7 2HH1 ARG 7 12.247 19.483 7.389
64 H CYS 8 H CYS 8 17.006 20.403 15.326
65 HA CYS 8 HA CYS 8 18.858 22.181 14.146
66 HB2 CYS 8 2HB CYS 8 18.153 21.616 17.046
67 HB3 CYS 8 3HB CYS 8 19.048 22.985 16.442
68 H GLU 9 H GLU 9 19.481 19.189 16.081
69 HA GLU 9 HA GLU 9 22.311 19.389 16.274
70 HB2 GLU 9 2HB GLU 9 20.465 17.015 15.758
71 HB3 GLU 9 3HB GLU 9 22.211 16.853 16.029
72 HG2 GLU 9 2HG GLU 9 22.012 17.922 18.224
73 HG3 GLU 9 3HG GLU 9 20.285 18.061 18.048
74 H LEU 10 H LEU 10 20.371 18.904 13.335
75 HA LEU 10 HA LEU 10 22.551 17.667 11.821
76 HB2 LEU 10 2HB LEU 10 19.955 18.880 10.796
77 HB3 LEU 10 3HB LEU 10 21.049 17.827 9.914
78 HG LEU 10 HG LEU 10 19.417 17.027 12.365
79 HD11 LEU 10 1HD1 LEU 10 18.100 17.346 10.293
80 HD12 LEU 10 2HD1 LEU 10 19.175 16.210 9.441
81 HD13 LEU 10 3HD1 LEU 10 18.168 15.647 10.793
82 HD21 LEU 10 3HD2 LEU 10 21.319 15.405 10.612
83 HD22 LEU 10 1HD2 LEU 10 21.498 15.750 12.353
84 HD23 LEU 10 2HD2 LEU 10 20.191 14.715 11.795
85 H SER 11 H SER 11 21.806 20.880 12.677
86 HA SER 11 HA SER 11 23.342 22.212 10.571
87 HB2 SER 11 2HB SER 11 22.521 23.072 13.362
88 HB3 SER 11 3HB SER 11 23.181 24.135 12.103
89 HG SER 11 HG SER 11 20.930 24.246 12.158
90 H CYS 12 H CYS 12 24.118 20.323 13.355
91 HA CYS 12 HA CYS 12 26.725 21.683 13.846
92 HB2 CYS 12 2HB CYS 12 24.954 20.138 15.778
93 HB3 CYS 12 3HB CYS 12 26.277 21.200 16.168
94 H ARG 13 H ARG 13 25.326 18.642 13.054
95 HA ARG 13 HA ARG 13 26.769 16.741 14.407
96 HB2 ARG 13 2HB ARG 13 24.706 16.604 12.877
97 HB3 ARG 13 3HB ARG 13 25.825 16.436 11.523
98 HG2 ARG 13 2HG ARG 13 26.739 14.358 12.589
99 HG3 ARG 13 3HG ARG 13 25.631 14.600 13.957
100 HD2 ARG 13 2HD ARG 13 23.711 14.526 12.279
101 HD3 ARG 13 3HD ARG 13 24.889 14.044 11.054
102 HE ARG 13 HE ARG 13 24.278 12.529 13.583
103 HH11 ARG 13 1HH1 ARG 13 24.716 12.285 10.077
104 HH12 ARG 13 2HH1 ARG 13 25.138 10.592 10.188
105 HH21 ARG 13 1HH2 ARG 13 24.613 10.364 13.577
106 HH22 ARG 13 2HH2 ARG 13 24.744 9.500 12.053
107 H SER 14 H SER 14 27.872 18.306 11.397
108 HA SER 14 HA SER 14 30.049 16.572 10.818
109 HB2 SER 14 2HB SER 14 30.957 18.493 9.531
110 HB3 SER 14 3HB SER 14 29.253 18.155 9.180
111 HG SER 14 HG SER 14 30.118 20.448 9.720
112 H LEU 15 H LEU 15 29.926 19.334 13.073
113 HA LEU 15 HA LEU 15 32.807 18.892 13.758
114 HB2 LEU 15 2HB LEU 15 31.051 21.283 14.332
115 HB3 LEU 15 3HB LEU 15 32.782 21.136 14.665
116 HG LEU 15 HG LEU 15 31.425 21.348 11.960
117 HD11 LEU 15 1HD1 LEU 15 33.394 23.152 13.422
118 HD12 LEU 15 2HD1 LEU 15 32.703 23.440 11.811
119 HD13 LEU 15 3HD1 LEU 15 31.651 23.448 13.232
120 HD21 LEU 15 3HD2 LEU 15 33.299 19.838 11.655
121 HD22 LEU 15 1HD2 LEU 15 33.739 21.424 11.021
122 HD23 LEU 15 2HD2 LEU 15 34.367 20.904 12.600
123 H GLY 16 H GLY 16 29.880 17.904 14.921
124 HA2 GLY 16 3HA GLY 16 29.366 16.760 16.863
125 HA3 GLY 16 3HA GLY 16 31.037 16.966 17.404
126 H LEU 17 H LEU 17 29.108 19.785 16.595
127 HA LEU 17 HA LEU 17 29.335 20.833 19.323
128 HB2 LEU 17 2HB LEU 17 27.633 22.232 17.324
129 HB3 LEU 17 3HB LEU 17 28.733 22.894 18.493
130 HG LEU 17 HG LEU 17 29.477 21.630 15.828
131 HD11 LEU 17 1HD1 LEU 17 28.353 23.751 15.520
132 HD12 LEU 17 2HD1 LEU 17 29.412 24.534 16.724
133 HD13 LEU 17 3HD1 LEU 17 30.073 23.950 15.182
134 HD21 LEU 17 3HD2 LEU 17 31.249 23.130 17.808
135 HD22 LEU 17 1HD2 LEU 17 31.319 21.389 17.463
136 HD23 LEU 17 2HD2 LEU 17 31.731 22.554 16.193
137 H LEU 18 H LEU 18 27.290 21.828 20.356
138 HA LEU 18 HA LEU 18 25.017 19.898 20.216
139 HB2 LEU 18 2HB LEU 18 25.626 22.209 22.075
140 HB3 LEU 18 3HB LEU 18 24.116 21.291 22.108
141 HG LEU 18 HG LEU 18 26.891 20.158 22.618
142 HD11 LEU 18 1HD1 LEU 18 24.588 20.713 24.525
143 HD12 LEU 18 2HD1 LEU 18 26.163 20.011 24.943
144 HD13 LEU 18 3HD1 LEU 18 26.070 21.684 24.376
145 HD21 LEU 18 3HD2 LEU 18 24.143 18.851 22.839
146 HD22 LEU 18 1HD2 LEU 18 25.472 18.375 21.749
147 HD23 LEU 18 2HD2 LEU 18 25.642 18.169 23.492
148 H GLY 19 H GLY 19 22.967 20.588 19.776
149 HA2 GLY 19 3HA GLY 19 22.733 22.922 17.899
150 HA3 GLY 19 3HA GLY 19 21.866 21.393 17.723
151 H LYS 20 H LYS 20 22.279 23.512 20.579
152 HA LYS 20 HA LYS 20 19.474 23.140 21.301
153 HB2 LYS 20 2HB LYS 20 21.807 24.592 22.589
154 HB3 LYS 20 3HB LYS 20 20.192 24.598 23.280
155 HG2 LYS 20 2HG LYS 20 20.190 22.142 23.423
156 HG3 LYS 20 3HG LYS 20 21.827 22.082 22.731
157 HD2 LYS 20 2HD LYS 20 22.733 23.315 24.641
158 HD3 LYS 20 3HD LYS 20 21.100 23.580 25.293
159 HE2 LYS 20 2HE LYS 20 20.793 21.131 25.505
160 HE3 LYS 20 3HE LYS 20 22.436 20.863 24.924
161 HZ1 LYS 20 3HZ LYS 20 23.283 22.019 26.863
162 HZ2 LYS 20 1HZ LYS 20 21.761 22.439 27.360
163 HZ3 LYS 20 2HZ LYS 20 22.227 20.874 27.361
164 H CYS 21 H CYS 21 17.955 24.706 21.821
165 HA CYS 21 HA CYS 21 18.226 27.359 20.500
166 HB2 CYS 21 2HB CYS 21 15.892 27.584 20.518
167 HB3 CYS 21 3HB CYS 21 16.235 26.003 19.849
168 H ILE 22 H ILE 22 18.489 29.133 21.704
169 HA ILE 22 HA ILE 22 18.516 28.771 24.674
170 HB ILE 22 HB ILE 22 20.374 30.608 23.174
171 HG12 ILE 22 2HG1 ILE 22 20.877 28.368 22.329
172 HG13 ILE 22 3HG1 ILE 22 22.155 29.036 23.316
173 HG21 ILE 22 1HG2 ILE 22 20.384 29.453 25.996
174 HG22 ILE 22 2HG2 ILE 22 21.732 30.350 25.271
175 HG23 ILE 22 3HG2 ILE 22 20.195 31.152 25.534
176 HD11 ILE 22 3HD1 ILE 22 20.172 26.932 24.280
177 HD12 ILE 22 1HD1 ILE 22 21.838 26.645 23.743
178 HD13 ILE 22 2HD1 ILE 22 21.543 27.584 25.205
179 H GLY 23 H GLY 23 16.139 29.405 23.784
180 HA2 GLY 23 3HA GLY 23 14.781 30.760 25.269
181 HA3 GLY 23 3HA GLY 23 15.770 32.162 24.882
182 H GLU 24 H GLU 24 15.634 31.248 21.917
183 HA GLU 24 HA GLU 24 12.804 31.862 21.242
184 HB2 GLU 24 2HB GLU 24 14.145 33.508 19.505
185 HB3 GLU 24 3HB GLU 24 13.301 33.986 20.959
186 HG2 GLU 24 2HG GLU 24 15.387 35.119 20.864
187 HG3 GLU 24 3HG GLU 24 15.406 34.036 22.235
188 H GLU 25 H GLU 25 16.012 30.854 19.967
189 HA GLU 25 HA GLU 25 14.724 28.993 18.096
190 HB2 GLU 25 2HB GLU 25 14.518 31.230 16.966
191 HB3 GLU 25 3HB GLU 25 16.261 31.389 17.011
192 HG2 GLU 25 2HG GLU 25 15.436 30.729 14.797
193 HG3 GLU 25 3HG GLU 25 16.486 29.491 15.454
194 H CYS 26 H CYS 26 16.305 27.725 16.827
195 HA CYS 26 HA CYS 26 18.415 26.754 18.473
196 HB2 CYS 26 2HB CYS 26 17.554 26.192 15.638
197 HB3 CYS 26 3HB CYS 26 18.885 25.360 16.421
198 H LYS 27 H LYS 27 20.507 26.867 18.478
199 HA LYS 27 HA LYS 27 22.115 28.358 16.431
200 HB2 LYS 27 2HB LYS 27 22.332 28.276 19.467
201 HB3 LYS 27 3HB LYS 27 23.724 28.639 18.466
202 HG2 LYS 27 2HG LYS 27 22.815 30.662 19.318
203 HG3 LYS 27 3HG LYS 27 22.673 30.634 17.559
204 HD2 LYS 27 2HD LYS 27 20.318 30.291 17.653
205 HD3 LYS 27 3HD LYS 27 20.359 29.881 19.385
206 HE2 LYS 27 2HE LYS 27 20.897 32.178 19.959
207 HE3 LYS 27 3HE LYS 27 21.089 32.612 18.248
208 HZ1 LYS 27 3HZ LYS 27 18.535 31.633 19.405
209 HZ2 LYS 27 1HZ LYS 27 18.880 33.199 19.202
210 HZ3 LYS 27 2HZ LYS 27 18.787 32.225 17.881
211 H CYS 28 H CYS 28 24.556 27.478 16.878
212 HA CYS 28 HA CYS 28 24.404 24.781 17.995
213 HB2 CYS 28 2HB CYS 28 26.700 25.527 16.227
214 HB3 CYS 28 3HB CYS 28 26.400 24.028 17.078
215 H VAL 29 H VAL 29 25.872 24.400 19.655
216 HA VAL 29 HA VAL 29 27.182 26.852 20.725
217 HB VAL 29 HB VAL 29 25.939 26.666 22.777
218 HG11 VAL 29 1HG1 VAL 29 25.041 28.082 20.928
219 HG12 VAL 29 2HG1 VAL 29 23.936 26.751 20.497
220 HG13 VAL 29 3HG1 VAL 29 23.834 27.524 22.089
221 HG21 VAL 29 3HG2 VAL 29 24.306 24.445 21.477
222 HG22 VAL 29 1HG2 VAL 29 25.414 24.288 22.864
223 HG23 VAL 29 2HG2 VAL 29 23.967 25.260 23.027
224 HA PRO 30 HA PRO 30 30.115 24.217 22.836
225 HB2 PRO 30 2HB PRO 30 29.726 26.024 25.212
226 HB3 PRO 30 3HB PRO 30 31.244 25.521 24.406
227 HG2 PRO 30 2HG PRO 30 30.263 27.994 23.976
228 HG3 PRO 30 3HG PRO 30 30.880 27.037 22.587
229 HD2 PRO 30 2HD PRO 30 28.008 27.357 23.510
230 HD3 PRO 30 3HD PRO 30 28.707 27.562 21.877
231 H TYR 31 H TYR 31 30.364 22.799 24.644
232 HA TYR 31 HA TYR 31 27.922 21.691 25.874
233 HB2 TYR 31 2HB TYR 31 30.867 20.914 25.965
234 HB3 TYR 31 3HB TYR 31 29.613 20.101 26.884
235 HD1 TYR 31 HD1 TYR 31 30.617 20.950 23.363
236 HD2 TYR 31 HD2 TYR 31 28.354 18.338 25.936
237 HE1 TYR 31 HE1 TYR 31 30.077 19.522 21.424
238 HE2 TYR 31 HE2 TYR 31 27.855 16.871 23.992
239 HH TYR 31 HH TYR 31 28.956 17.697 20.684