Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637410 | 6d8t RC | 30463 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 14.643 32.086 17.411
2 H2 ALA 1 H2 ALA 1 13.952 30.603 17.250
3 H3 ALA 1 H3 ALA 1 13.011 31.941 17.498
4 HA ALA 1 HA ALA 1 12.993 31.129 15.189
5 HB1 ALA 1 HB1 ALA 1 12.443 33.477 15.639
6 HB2 ALA 1 HB2 ALA 1 14.169 33.913 15.652
7 HB3 ALA 1 HB3 ALA 1 13.401 33.350 14.154
8 H PHE 2 H PHE 2 14.207 31.103 13.136
9 HA PHE 2 HA PHE 2 16.546 29.613 13.328
10 HB2 PHE 2 HB2 PHE 2 15.976 31.327 10.910
11 HB3 PHE 2 HB3 PHE 2 16.721 29.736 10.975
12 HD1 PHE 2 HD1 PHE 2 14.107 31.156 9.553
13 HD2 PHE 2 HD2 PHE 2 14.770 28.117 12.542
14 HE1 PHE 2 HE1 PHE 2 11.913 30.144 9.009
15 HE2 PHE 2 HE2 PHE 2 12.566 27.121 12.004
16 HZ PHE 2 HZ PHE 2 11.129 28.127 10.242
17 H CYS 3 H CYS 3 18.727 29.906 13.015
18 HA CYS 3 HA CYS 3 19.988 31.989 14.341
19 HB2 CYS 3 HB2 CYS 3 20.920 29.786 13.980
20 HB3 CYS 3 HB3 CYS 3 20.994 30.030 12.250
21 H ASN 4 H ASN 4 20.786 34.004 13.884
22 HA ASN 4 HA ASN 4 20.566 35.098 11.122
23 HB2 ASN 4 HB2 ASN 4 21.301 36.288 13.810
24 HB3 ASN 4 HB3 ASN 4 21.637 37.132 12.300
25 HD21 ASN 4 HD21 ASN 4 17.632 36.748 12.959
26 HD22 ASN 4 HD22 ASN 4 18.623 35.301 13.077
27 H LEU 5 H LEU 5 22.145 34.157 9.847
28 HA LEU 5 HA LEU 5 24.776 33.508 10.737
29 HB2 LEU 5 HB2 LEU 5 23.649 32.457 8.864
30 HB3 LEU 5 HB3 LEU 5 23.641 33.956 7.967
31 HG LEU 5 HG LEU 5 25.267 32.145 7.309
32 HD11 LEU 5 HD11 LEU 5 27.000 33.649 6.587
33 HD12 LEU 5 HD12 LEU 5 25.418 34.424 6.418
34 HD13 LEU 5 HD13 LEU 5 26.501 34.878 7.752
35 HD21 LEU 5 HD21 LEU 5 26.113 31.614 9.576
36 HD22 LEU 5 HD22 LEU 5 27.391 31.963 8.396
37 HD23 LEU 5 HD23 LEU 5 26.963 33.178 9.603
38 H ARG 6 H ARG 6 23.651 36.412 8.899
39 HA ARG 6 HA ARG 6 26.198 37.645 8.733
40 HB2 ARG 6 HB2 ARG 6 23.352 38.708 8.824
41 HB3 ARG 6 HB3 ARG 6 24.696 39.840 8.815
42 HG2 ARG 6 HG2 ARG 6 24.287 37.662 6.710
43 HG3 ARG 6 HG3 ARG 6 23.753 39.331 6.548
44 HD2 ARG 6 HD2 ARG 6 26.626 38.355 6.805
45 HD3 ARG 6 HD3 ARG 6 25.855 38.985 5.356
46 HE ARG 6 HE ARG 6 25.535 41.145 6.693
47 HH11 ARG 6 HH11 ARG 6 28.438 39.126 6.983
48 HH12 ARG 6 HH12 ARG 6 29.433 40.495 7.398
49 HH21 ARG 6 HH21 ARG 6 26.783 42.732 7.550
50 HH22 ARG 6 HH22 ARG 6 28.516 42.557 7.594
51 H ARG 7 H ARG 7 23.914 37.819 11.426
52 HA ARG 7 HA ARG 7 25.495 39.543 13.106
53 HB2 ARG 7 HB2 ARG 7 23.026 38.820 13.282
54 HB3 ARG 7 HB3 ARG 7 23.614 37.330 14.027
55 HG2 ARG 7 HG2 ARG 7 24.658 38.679 15.851
56 HG3 ARG 7 HG3 ARG 7 24.084 40.161 15.049
57 HD2 ARG 7 HD2 ARG 7 21.717 39.131 15.173
58 HD3 ARG 7 HD3 ARG 7 22.408 37.921 16.247
59 HE ARG 7 HE ARG 7 22.832 39.602 17.903
60 HH11 ARG 7 HH11 ARG 7 20.978 40.982 15.202
61 HH12 ARG 7 HH12 ARG 7 20.550 42.374 16.151
62 HH21 ARG 7 HH21 ARG 7 22.210 41.258 18.971
63 HH22 ARG 7 HH22 ARG 7 21.129 42.475 18.302
64 H CYS 8 H CYS 8 25.519 36.026 12.643
65 HA CYS 8 HA CYS 8 27.438 35.453 14.714
66 HB2 CYS 8 HB2 CYS 8 25.923 33.758 13.803
67 HB3 CYS 8 HB3 CYS 8 26.633 33.935 12.201
68 H GLU 9 H GLU 9 27.819 36.166 11.201
69 HA GLU 9 HA GLU 9 30.651 35.808 11.084
70 HB2 GLU 9 HB2 GLU 9 28.794 37.630 9.489
71 HB3 GLU 9 HB3 GLU 9 30.517 37.433 9.156
72 HG2 GLU 9 HG2 GLU 9 30.177 34.983 8.895
73 HG3 GLU 9 HG3 GLU 9 28.443 35.213 9.082
74 H LEU 10 H LEU 10 28.784 38.839 11.831
75 HA LEU 10 HA LEU 10 31.055 40.490 12.185
76 HB2 LEU 10 HB2 LEU 10 28.200 40.548 13.290
77 HB3 LEU 10 HB3 LEU 10 29.309 41.896 13.262
78 HG LEU 10 HG LEU 10 28.452 40.542 10.846
79 HD11 LEU 10 HD11 LEU 10 26.920 42.442 10.449
80 HD12 LEU 10 HD12 LEU 10 26.501 41.543 11.908
81 HD13 LEU 10 HD13 LEU 10 27.365 43.093 12.049
82 HD21 LEU 10 HD21 LEU 10 29.200 42.657 9.704
83 HD22 LEU 10 HD22 LEU 10 29.847 43.187 11.269
84 HD23 LEU 10 HD23 LEU 10 30.512 41.753 10.452
85 H SER 11 H SER 11 29.209 38.516 14.391
86 HA SER 11 HA SER 11 30.573 39.215 16.847
87 HB2 SER 11 HB2 SER 11 28.396 38.212 16.876
88 HB3 SER 11 HB3 SER 11 28.966 36.794 15.990
89 HG SER 11 HG SER 11 29.886 37.544 18.592
90 H CYS 12 H CYS 12 31.405 36.832 14.302
91 HA CYS 12 HA CYS 12 33.758 35.874 15.804
92 HB2 CYS 12 HB2 CYS 12 32.858 35.460 12.942
93 HB3 CYS 12 HB3 CYS 12 34.219 34.649 13.707
94 H ARG 13 H ARG 13 33.059 38.254 13.251
95 HA ARG 13 HA ARG 13 35.632 38.898 12.391
96 HB2 ARG 13 HB2 ARG 13 33.343 39.706 11.530
97 HB3 ARG 13 HB3 ARG 13 33.442 40.979 12.755
98 HG2 ARG 13 HG2 ARG 13 35.612 41.721 11.707
99 HG3 ARG 13 HG3 ARG 13 35.400 40.448 10.490
100 HD2 ARG 13 HD2 ARG 13 33.255 41.506 9.787
101 HD3 ARG 13 HD3 ARG 13 33.521 42.790 10.981
102 HE ARG 13 HE ARG 13 35.555 42.263 8.849
103 HH11 ARG 13 HH11 ARG 13 33.143 44.590 10.087
104 HH12 ARG 13 HH12 ARG 13 33.755 45.798 8.960
105 HH21 ARG 13 HH21 ARG 13 36.232 44.014 7.590
106 HH22 ARG 13 HH22 ARG 13 35.329 45.523 7.736
107 H SER 14 H SER 14 34.077 39.914 15.354
108 HA SER 14 HA SER 14 35.761 41.820 16.490
109 HB2 SER 14 HB2 SER 14 33.805 40.956 17.628
110 HB3 SER 14 HB3 SER 14 34.469 39.316 17.638
111 HG SER 14 HG SER 14 35.006 41.486 19.295
112 H LEU 15 H LEU 15 36.386 38.314 16.202
113 HA LEU 15 HA LEU 15 38.998 38.430 17.564
114 HB2 LEU 15 HB2 LEU 15 37.733 36.113 16.069
115 HB3 LEU 15 HB3 LEU 15 38.966 36.044 17.323
116 HG LEU 15 HG LEU 15 36.017 36.741 17.669
117 HD11 LEU 15 HD11 LEU 15 35.912 34.616 18.855
118 HD12 LEU 15 HD12 LEU 15 36.501 34.366 17.211
119 HD13 LEU 15 HD13 LEU 15 37.644 34.330 18.578
120 HD21 LEU 15 HD21 LEU 15 36.481 36.645 20.113
121 HD22 LEU 15 HD22 LEU 15 38.218 36.494 19.780
122 HD23 LEU 15 HD23 LEU 15 37.346 37.982 19.344
123 H GLY 16 H GLY 16 37.722 38.360 14.306
124 HA2 GLY 16 HA2 GLY 16 39.125 39.160 12.460
125 HA3 GLY 16 HA3 GLY 16 40.467 38.232 13.118
126 H LEU 17 H LEU 17 37.375 36.581 13.133
127 HA LEU 17 HA LEU 17 38.021 35.140 10.621
128 HB2 LEU 17 HB2 LEU 17 37.432 33.001 11.876
129 HB3 LEU 17 HB3 LEU 17 39.060 33.628 11.985
130 HG LEU 17 HG LEU 17 37.085 34.294 14.182
131 HD11 LEU 17 HD11 LEU 17 36.958 31.820 13.786
132 HD12 LEU 17 HD12 LEU 17 38.706 31.730 14.026
133 HD13 LEU 17 HD13 LEU 17 37.652 32.244 15.361
134 HD21 LEU 17 HD21 LEU 17 40.095 33.691 14.151
135 HD22 LEU 17 HD22 LEU 17 39.381 35.300 14.305
136 HD23 LEU 17 HD23 LEU 17 39.149 34.110 15.589
137 H LEU 18 H LEU 18 36.205 33.650 9.950
138 HA LEU 18 HA LEU 18 33.740 35.271 10.115
139 HB2 LEU 18 HB2 LEU 18 34.703 33.104 8.224
140 HB3 LEU 18 HB3 LEU 18 33.077 33.802 8.132
141 HG LEU 18 HG LEU 18 35.610 35.457 7.889
142 HD11 LEU 18 HD11 LEU 18 33.757 34.398 5.721
143 HD12 LEU 18 HD12 LEU 18 35.137 35.493 5.478
144 HD13 LEU 18 HD13 LEU 18 35.414 33.833 6.035
145 HD21 LEU 18 HD21 LEU 18 33.671 36.809 8.579
146 HD22 LEU 18 HD22 LEU 18 34.074 37.136 6.892
147 HD23 LEU 18 HD23 LEU 18 32.696 36.090 7.273
148 H GLY 19 H GLY 19 31.679 33.923 9.751
149 HA2 GLY 19 HA2 GLY 19 31.437 32.080 12.106
150 HA3 GLY 19 HA3 GLY 19 30.273 33.323 11.715
151 H LYS 20 H LYS 20 29.898 30.528 12.139
152 HA LYS 20 HA LYS 20 28.502 29.613 9.673
153 HB2 LYS 20 HB2 LYS 20 30.737 28.465 10.326
154 HB3 LYS 20 HB3 LYS 20 29.937 27.950 11.797
155 HG2 LYS 20 HG2 LYS 20 29.814 26.092 10.385
156 HG3 LYS 20 HG3 LYS 20 28.193 26.787 10.270
157 HD2 LYS 20 HD2 LYS 20 28.817 27.890 8.159
158 HD3 LYS 20 HD3 LYS 20 30.477 27.286 8.300
159 HE2 LYS 20 HE2 LYS 20 29.613 24.942 8.184
160 HE3 LYS 20 HE3 LYS 20 27.966 25.570 8.068
161 HZ1 LYS 20 HZ1 LYS 20 28.596 26.656 5.978
162 HZ2 LYS 20 HZ2 LYS 20 30.105 25.966 6.033
163 HZ3 LYS 20 HZ3 LYS 20 28.741 25.044 5.898
164 H CYS 21 H CYS 21 26.339 29.299 10.019
165 HA CYS 21 HA CYS 21 25.243 29.219 12.764
166 HB2 CYS 21 HB2 CYS 21 23.996 29.201 10.022
167 HB3 CYS 21 HB3 CYS 21 23.070 28.744 11.444
168 H ILE 22 H ILE 22 24.811 27.450 13.885
169 HA ILE 22 HA ILE 22 25.003 24.737 12.687
170 HB ILE 22 HB ILE 22 26.366 24.134 14.577
171 HG12 ILE 22 HG12 ILE 22 27.222 26.962 15.107
172 HG13 ILE 22 HG13 ILE 22 25.686 26.454 15.808
173 HG21 ILE 22 HG21 ILE 22 27.305 24.625 12.334
174 HG22 ILE 22 HG22 ILE 22 27.676 26.273 12.873
175 HG23 ILE 22 HG23 ILE 22 28.452 24.880 13.655
176 HD11 ILE 22 HD11 ILE 22 28.278 24.940 16.158
177 HD12 ILE 22 HD12 ILE 22 27.544 26.031 17.363
178 HD13 ILE 22 HD13 ILE 22 26.703 24.537 16.872
179 H GLY 23 H GLY 23 22.510 25.889 13.253
180 HA2 GLY 23 HA2 GLY 23 20.586 24.716 13.874
181 HA3 GLY 23 HA3 GLY 23 21.495 23.781 15.064
182 H GLU 24 H GLU 24 20.040 26.931 14.378
183 HA GLU 24 HA GLU 24 19.384 28.695 15.606
184 HB2 GLU 24 HB2 GLU 24 19.175 26.874 18.017
185 HB3 GLU 24 HB3 GLU 24 18.386 28.424 17.757
186 HG2 GLU 24 HG2 GLU 24 17.132 27.409 15.819
187 HG3 GLU 24 HG3 GLU 24 17.830 25.838 16.240
188 H LYS 25 H LYS 25 22.319 27.569 15.855
189 HA LYS 25 HA LYS 25 23.377 29.426 17.955
190 HB2 LYS 25 HB2 LYS 25 24.048 26.513 17.356
191 HB3 LYS 25 HB3 LYS 25 25.080 27.563 18.331
192 HG2 LYS 25 HG2 LYS 25 23.183 27.884 19.938
193 HG3 LYS 25 HG3 LYS 25 22.242 26.699 18.992
194 HD2 LYS 25 HD2 LYS 25 24.044 25.028 19.293
195 HD3 LYS 25 HD3 LYS 25 24.997 26.210 20.213
196 HE2 LYS 25 HE2 LYS 25 23.358 26.244 22.003
197 HE3 LYS 25 HE3 LYS 25 22.231 25.253 21.060
198 HZ1 LYS 25 HZ1 LYS 25 23.493 23.936 22.690
199 HZ2 LYS 25 HZ2 LYS 25 23.769 23.429 21.155
200 HZ3 LYS 25 HZ3 LYS 25 24.913 24.334 21.928
201 H CYS 26 H CYS 26 25.741 29.682 17.784
202 HA CYS 26 HA CYS 26 26.690 29.980 14.945
203 HB2 CYS 26 HB2 CYS 26 25.821 32.096 15.673
204 HB3 CYS 26 HB3 CYS 26 26.576 31.932 17.252
205 H GLU 27 H GLU 27 28.761 29.381 14.545
206 HA GLU 27 HA GLU 27 30.766 29.549 16.695
207 HB2 GLU 27 HB2 GLU 27 31.717 27.453 16.453
208 HB3 GLU 27 HB3 GLU 27 29.987 27.152 16.602
209 HG2 GLU 27 HG2 GLU 27 29.843 26.758 14.168
210 HG3 GLU 27 HG3 GLU 27 31.563 27.119 13.994
211 H CYS 28 H CYS 28 33.060 29.404 15.764
212 HA CYS 28 HA CYS 28 33.059 31.045 13.277
213 HB2 CYS 28 HB2 CYS 28 35.051 31.246 15.537
214 HB3 CYS 28 HB3 CYS 28 34.840 32.330 14.170
215 H VAL 29 H VAL 29 35.115 31.074 12.050
216 HA VAL 29 HA VAL 29 36.205 28.319 11.845
217 HB VAL 29 HB VAL 29 36.617 28.824 9.495
218 HG11 VAL 29 HG11 VAL 29 34.227 28.489 8.912
219 HG12 VAL 29 HG12 VAL 29 34.703 27.511 10.312
220 HG13 VAL 29 HG13 VAL 29 33.753 28.989 10.551
221 HG21 VAL 29 HG21 VAL 29 34.675 31.125 9.786
222 HG22 VAL 29 HG22 VAL 29 36.427 31.384 9.669
223 HG23 VAL 29 HG23 VAL 29 35.555 30.592 8.351
224 HA PRO 30 HA PRO 30 40.165 30.390 12.894
225 HB2 PRO 30 HB2 PRO 30 41.059 28.732 14.845
226 HB3 PRO 30 HB3 PRO 30 39.689 29.836 15.134
227 HG2 PRO 30 HG2 PRO 30 39.531 26.929 14.244
228 HG3 PRO 30 HG3 PRO 30 38.764 27.667 15.692
229 HD2 PRO 30 HD2 PRO 30 37.411 27.401 13.373
230 HD3 PRO 30 HD3 PRO 30 37.240 28.873 14.384
231 H TYR 31 H TYR 31 39.876 29.017 10.506
232 HA TYR 31 HA TYR 31 41.349 26.602 10.163
233 HB2 TYR 31 HB2 TYR 31 40.803 28.815 8.164
234 HB3 TYR 31 HB3 TYR 31 41.291 27.176 7.773
235 HD1 TYR 31 HD1 TYR 31 39.209 26.094 10.132
236 HD2 TYR 31 HD2 TYR 31 38.970 28.489 6.551
237 HE1 TYR 31 HE1 TYR 31 36.862 25.396 9.821
238 HE2 TYR 31 HE2 TYR 31 36.631 27.729 6.203
239 HH TYR 31 HH TYR 31 34.821 26.648 7.165
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 13.514 29.414 16.704
2 H2 ALA 1 H2 ALA 1 13.218 29.649 18.296
3 H3 ALA 1 H3 ALA 1 14.226 28.429 17.811
4 HA ALA 1 HA ALA 1 14.709 31.314 17.595
5 HB1 ALA 1 HB1 ALA 1 14.998 30.516 19.879
6 HB2 ALA 1 HB2 ALA 1 16.028 29.179 19.325
7 HB3 ALA 1 HB3 ALA 1 16.588 30.850 19.164
8 H PHE 2 H PHE 2 14.960 31.044 15.227
9 HA PHE 2 HA PHE 2 16.922 29.241 14.148
10 HB2 PHE 2 HB2 PHE 2 15.977 31.878 12.973
11 HB3 PHE 2 HB3 PHE 2 16.757 30.565 12.111
12 HD1 PHE 2 HD1 PHE 2 15.552 28.328 11.864
13 HD2 PHE 2 HD2 PHE 2 13.600 31.873 13.341
14 HE1 PHE 2 HE1 PHE 2 13.335 27.308 11.401
15 HE2 PHE 2 HE2 PHE 2 11.393 30.844 12.918
16 HZ PHE 2 HZ PHE 2 11.252 28.551 11.934
17 H CYS 3 H CYS 3 19.027 29.604 13.347
18 HA CYS 3 HA CYS 3 20.816 31.248 14.887
19 HB2 CYS 3 HB2 CYS 3 21.443 29.120 13.863
20 HB3 CYS 3 HB3 CYS 3 21.116 29.764 12.253
21 H ASN 4 H ASN 4 22.110 33.075 14.155
22 HA ASN 4 HA ASN 4 20.837 34.734 11.995
23 HB2 ASN 4 HB2 ASN 4 21.894 35.615 14.693
24 HB3 ASN 4 HB3 ASN 4 21.290 36.680 13.419
25 HD21 ASN 4 HD21 ASN 4 18.624 35.094 15.893
26 HD22 ASN 4 HD22 ASN 4 20.351 34.987 16.216
27 H LEU 5 H LEU 5 22.343 33.960 10.487
28 HA LEU 5 HA LEU 5 25.104 33.721 10.985
29 HB2 LEU 5 HB2 LEU 5 23.822 32.536 9.275
30 HB3 LEU 5 HB3 LEU 5 23.604 34.032 8.366
31 HG LEU 5 HG LEU 5 26.061 34.162 7.991
32 HD11 LEU 5 HD11 LEU 5 26.942 32.951 9.931
33 HD12 LEU 5 HD12 LEU 5 26.089 31.468 9.427
34 HD13 LEU 5 HD13 LEU 5 27.426 32.108 8.456
35 HD21 LEU 5 HD21 LEU 5 24.573 33.020 6.369
36 HD22 LEU 5 HD22 LEU 5 26.189 32.298 6.398
37 HD23 LEU 5 HD23 LEU 5 24.839 31.481 7.212
38 H ARG 6 H ARG 6 23.319 36.478 9.489
39 HA ARG 6 HA ARG 6 25.627 37.900 8.648
40 HB2 ARG 6 HB2 ARG 6 23.186 38.410 8.062
41 HB3 ARG 6 HB3 ARG 6 23.055 39.220 9.630
42 HG2 ARG 6 HG2 ARG 6 24.942 40.735 8.966
43 HG3 ARG 6 HG3 ARG 6 25.036 39.881 7.411
44 HD2 ARG 6 HD2 ARG 6 22.652 40.558 6.972
45 HD3 ARG 6 HD3 ARG 6 22.699 41.512 8.471
46 HE ARG 6 HE ARG 6 24.925 42.242 6.817
47 HH11 ARG 6 HH11 ARG 6 21.417 42.631 6.887
48 HH12 ARG 6 HH12 ARG 6 21.527 44.112 5.937
49 HH21 ARG 6 HH21 ARG 6 24.887 44.215 5.661
50 HH22 ARG 6 HH22 ARG 6 23.309 44.909 5.269
51 H ARG 7 H ARG 7 23.906 38.022 11.715
52 HA ARG 7 HA ARG 7 25.632 39.947 13.036
53 HB2 ARG 7 HB2 ARG 7 23.305 39.555 13.609
54 HB3 ARG 7 HB3 ARG 7 23.613 37.887 14.056
55 HG2 ARG 7 HG2 ARG 7 24.543 38.420 16.086
56 HG3 ARG 7 HG3 ARG 7 25.219 39.943 15.514
57 HD2 ARG 7 HD2 ARG 7 23.403 40.229 17.203
58 HD3 ARG 7 HD3 ARG 7 23.130 41.084 15.687
59 HE ARG 7 HE ARG 7 21.475 39.462 15.032
60 HH11 ARG 7 HH11 ARG 7 22.161 39.215 18.518
61 HH12 ARG 7 HH12 ARG 7 20.891 38.023 18.671
62 HH21 ARG 7 HH21 ARG 7 19.710 38.287 15.517
63 HH22 ARG 7 HH22 ARG 7 19.574 37.565 17.109
64 H CYS 8 H CYS 8 25.505 36.398 12.980
65 HA CYS 8 HA CYS 8 27.598 35.936 14.861
66 HB2 CYS 8 HB2 CYS 8 26.096 34.195 14.134
67 HB3 CYS 8 HB3 CYS 8 26.653 34.343 12.466
68 H GLU 9 H GLU 9 27.792 36.379 11.282
69 HA GLU 9 HA GLU 9 30.569 35.887 10.974
70 HB2 GLU 9 HB2 GLU 9 28.643 37.700 9.517
71 HB3 GLU 9 HB3 GLU 9 30.312 37.499 8.987
72 HG2 GLU 9 HG2 GLU 9 29.970 35.112 8.630
73 HG3 GLU 9 HG3 GLU 9 28.336 35.190 9.235
74 H LEU 10 H LEU 10 28.943 38.949 11.967
75 HA LEU 10 HA LEU 10 31.339 40.537 12.059
76 HB2 LEU 10 HB2 LEU 10 28.545 40.811 13.280
77 HB3 LEU 10 HB3 LEU 10 29.731 42.074 13.117
78 HG LEU 10 HG LEU 10 28.558 40.691 10.846
79 HD11 LEU 10 HD11 LEU 10 27.206 42.746 10.487
80 HD12 LEU 10 HD12 LEU 10 26.826 41.934 12.010
81 HD13 LEU 10 HD13 LEU 10 27.852 43.384 12.018
82 HD21 LEU 10 HD21 LEU 10 30.713 41.686 10.248
83 HD22 LEU 10 HD22 LEU 10 29.417 42.633 9.513
84 HD23 LEU 10 HD23 LEU 10 30.217 43.225 10.984
85 H SER 11 H SER 11 29.344 38.821 14.390
86 HA SER 11 HA SER 11 30.772 39.432 16.801
87 HB2 SER 11 HB2 SER 11 28.458 38.472 16.547
88 HB3 SER 11 HB3 SER 11 29.199 36.914 16.175
89 HG SER 11 HG SER 11 29.781 36.677 18.225
90 H CYS 12 H CYS 12 31.529 37.149 14.250
91 HA CYS 12 HA CYS 12 33.874 36.101 15.715
92 HB2 CYS 12 HB2 CYS 12 32.843 35.571 12.921
93 HB3 CYS 12 HB3 CYS 12 34.169 34.713 13.708
94 H ARG 13 H ARG 13 33.130 38.453 13.121
95 HA ARG 13 HA ARG 13 35.797 38.787 12.165
96 HB2 ARG 13 HB2 ARG 13 33.563 39.655 11.113
97 HB3 ARG 13 HB3 ARG 13 33.781 41.055 12.161
98 HG2 ARG 13 HG2 ARG 13 35.981 41.492 11.128
99 HG3 ARG 13 HG3 ARG 13 35.855 40.009 10.176
100 HD2 ARG 13 HD2 ARG 13 33.945 40.937 8.931
101 HD3 ARG 13 HD3 ARG 13 33.987 42.400 9.943
102 HE ARG 13 HE ARG 13 36.457 41.640 8.463
103 HH11 ARG 13 HH11 ARG 13 33.642 43.734 8.175
104 HH12 ARG 13 HH12 ARG 13 34.636 45.036 7.540
105 HH21 ARG 13 HH21 ARG 13 37.565 43.353 7.601
106 HH22 ARG 13 HH22 ARG 13 36.667 44.783 7.108
107 H SER 14 H SER 14 34.244 40.127 15.001
108 HA SER 14 HA SER 14 36.206 42.083 15.764
109 HB2 SER 14 HB2 SER 14 35.282 41.639 18.050
110 HB3 SER 14 HB3 SER 14 34.017 41.942 16.840
111 HG SER 14 HG SER 14 33.790 40.020 18.305
112 H LEU 15 H LEU 15 36.081 38.543 16.118
113 HA LEU 15 HA LEU 15 38.515 38.382 17.738
114 HB2 LEU 15 HB2 LEU 15 37.142 36.131 16.237
115 HB3 LEU 15 HB3 LEU 15 38.213 36.008 17.627
116 HG LEU 15 HG LEU 15 35.372 37.082 17.575
117 HD11 LEU 15 HD11 LEU 15 36.604 34.583 18.810
118 HD12 LEU 15 HD12 LEU 15 34.913 35.086 18.953
119 HD13 LEU 15 HD13 LEU 15 35.562 34.643 17.367
120 HD21 LEU 15 HD21 LEU 15 37.320 36.771 19.916
121 HD22 LEU 15 HD22 LEU 15 36.654 38.303 19.304
122 HD23 LEU 15 HD23 LEU 15 35.591 37.123 20.085
123 H GLY 16 H GLY 16 37.692 38.154 14.333
124 HA2 GLY 16 HA2 GLY 16 39.412 38.587 12.635
125 HA3 GLY 16 HA3 GLY 16 40.561 37.646 13.592
126 H LEU 17 H LEU 17 37.267 36.425 13.220
127 HA LEU 17 HA LEU 17 38.034 34.572 11.004
128 HB2 LEU 17 HB2 LEU 17 36.798 32.794 12.420
129 HB3 LEU 17 HB3 LEU 17 38.529 33.022 12.463
130 HG LEU 17 HG LEU 17 36.644 34.010 14.609
131 HD11 LEU 17 HD11 LEU 17 37.383 32.037 15.876
132 HD12 LEU 17 HD12 LEU 17 36.727 31.491 14.331
133 HD13 LEU 17 HD13 LEU 17 38.471 31.554 14.556
134 HD21 LEU 17 HD21 LEU 17 38.825 35.173 14.825
135 HD22 LEU 17 HD22 LEU 17 38.742 33.925 16.043
136 HD23 LEU 17 HD23 LEU 17 39.694 33.658 14.565
137 H LEU 18 H LEU 18 36.280 33.368 10.124
138 HA LEU 18 HA LEU 18 33.929 35.089 9.716
139 HB2 LEU 18 HB2 LEU 18 35.056 34.172 7.777
140 HB3 LEU 18 HB3 LEU 18 34.805 32.537 8.341
141 HG LEU 18 HG LEU 18 32.343 32.821 8.076
142 HD11 LEU 18 HD11 LEU 18 32.255 35.343 8.328
143 HD12 LEU 18 HD12 LEU 18 33.066 35.474 6.764
144 HD13 LEU 18 HD13 LEU 18 31.462 34.742 6.867
145 HD21 LEU 18 HD21 LEU 18 32.304 32.864 5.618
146 HD22 LEU 18 HD22 LEU 18 33.974 33.469 5.603
147 HD23 LEU 18 HD23 LEU 18 33.611 31.857 6.251
148 H GLY 19 H GLY 19 31.728 34.041 9.739
149 HA2 GLY 19 HA2 GLY 19 31.372 32.254 12.112
150 HA3 GLY 19 HA3 GLY 19 30.242 33.526 11.671
151 H LYS 20 H LYS 20 29.963 30.570 11.953
152 HA LYS 20 HA LYS 20 28.360 30.038 9.516
153 HB2 LYS 20 HB2 LYS 20 30.526 28.176 10.595
154 HB3 LYS 20 HB3 LYS 20 29.248 27.650 9.511
155 HG2 LYS 20 HG2 LYS 20 31.365 29.746 8.825
156 HG3 LYS 20 HG3 LYS 20 31.379 28.050 8.349
157 HD2 LYS 20 HD2 LYS 20 29.290 28.314 7.065
158 HD3 LYS 20 HD3 LYS 20 29.213 30.021 7.550
159 HE2 LYS 20 HE2 LYS 20 31.482 30.344 6.452
160 HE3 LYS 20 HE3 LYS 20 31.306 28.719 5.790
161 HZ1 LYS 20 HZ1 LYS 20 29.260 29.451 4.691
162 HZ2 LYS 20 HZ2 LYS 20 29.387 30.963 5.404
163 HZ3 LYS 20 HZ3 LYS 20 30.449 30.467 4.269
164 H CYS 21 H CYS 21 26.492 29.029 9.942
165 HA CYS 21 HA CYS 21 25.606 28.765 12.726
166 HB2 CYS 21 HB2 CYS 21 24.336 28.201 10.061
167 HB3 CYS 21 HB3 CYS 21 23.532 27.879 11.569
168 H ILE 22 H ILE 22 24.824 26.833 13.711
169 HA ILE 22 HA ILE 22 25.539 24.256 12.427
170 HB ILE 22 HB ILE 22 27.395 25.035 13.866
171 HG12 ILE 22 HG12 ILE 22 26.140 22.505 14.985
172 HG13 ILE 22 HG13 ILE 22 26.835 22.605 13.362
173 HG21 ILE 22 HG21 ILE 22 27.198 25.025 16.294
174 HG22 ILE 22 HG22 ILE 22 26.062 26.182 15.623
175 HG23 ILE 22 HG23 ILE 22 25.482 24.602 16.202
176 HD11 ILE 22 HD11 ILE 22 28.514 21.725 14.863
177 HD12 ILE 22 HD12 ILE 22 29.000 23.352 14.349
178 HD13 ILE 22 HD13 ILE 22 28.323 23.096 15.975
179 H GLY 23 H GLY 23 23.356 26.022 14.454
180 HA2 GLY 23 HA2 GLY 23 21.300 23.997 14.102
181 HA3 GLY 23 HA3 GLY 23 21.854 24.115 15.777
182 H GLU 24 H GLU 24 20.451 25.337 16.918
183 HA GLU 24 HA GLU 24 18.982 27.637 15.815
184 HB2 GLU 24 HB2 GLU 24 19.251 26.366 18.567
185 HB3 GLU 24 HB3 GLU 24 18.449 27.913 18.331
186 HG2 GLU 24 HG2 GLU 24 17.122 26.608 16.413
187 HG3 GLU 24 HG3 GLU 24 17.617 25.189 17.327
188 H LYS 25 H LYS 25 22.178 27.193 16.766
189 HA LYS 25 HA LYS 25 22.633 30.107 16.848
190 HB2 LYS 25 HB2 LYS 25 23.974 30.106 18.764
191 HB3 LYS 25 HB3 LYS 25 22.387 29.462 19.136
192 HG2 LYS 25 HG2 LYS 25 23.368 27.134 19.071
193 HG3 LYS 25 HG3 LYS 25 24.977 27.869 18.827
194 HD2 LYS 25 HD2 LYS 25 24.620 29.226 20.897
195 HD3 LYS 25 HD3 LYS 25 23.052 28.423 21.122
196 HE2 LYS 25 HE2 LYS 25 24.270 26.208 21.194
197 HE3 LYS 25 HE3 LYS 25 25.802 27.089 21.147
198 HZ1 LYS 25 HZ1 LYS 25 23.717 27.349 23.254
199 HZ2 LYS 25 HZ2 LYS 25 25.123 26.553 23.422
200 HZ3 LYS 25 HZ3 LYS 25 25.127 28.196 23.234
201 H CYS 26 H CYS 26 25.171 30.387 17.058
202 HA CYS 26 HA CYS 26 26.258 29.055 14.628
203 HB2 CYS 26 HB2 CYS 26 25.287 31.444 14.633
204 HB3 CYS 26 HB3 CYS 26 26.668 31.879 15.620
205 H GLU 27 H GLU 27 28.542 29.130 14.256
206 HA GLU 27 HA GLU 27 30.314 29.308 16.638
207 HB2 GLU 27 HB2 GLU 27 31.611 27.467 15.863
208 HB3 GLU 27 HB3 GLU 27 29.952 26.920 16.098
209 HG2 GLU 27 HG2 GLU 27 29.546 26.805 13.742
210 HG3 GLU 27 HG3 GLU 27 31.041 27.664 13.351
211 H CYS 28 H CYS 28 32.596 29.676 16.027
212 HA CYS 28 HA CYS 28 32.866 31.346 13.560
213 HB2 CYS 28 HB2 CYS 28 34.643 31.341 16.005
214 HB3 CYS 28 HB3 CYS 28 34.745 32.408 14.604
215 H VAL 29 H VAL 29 34.917 31.153 12.345
216 HA VAL 29 HA VAL 29 36.012 28.361 12.395
217 HB VAL 29 HB VAL 29 36.238 28.706 9.880
218 HG11 VAL 29 HG11 VAL 29 34.752 27.083 10.916
219 HG12 VAL 29 HG12 VAL 29 33.493 28.329 11.130
220 HG13 VAL 29 HG13 VAL 29 34.005 27.825 9.494
221 HG21 VAL 29 HG21 VAL 29 34.698 30.176 8.797
222 HG22 VAL 29 HG22 VAL 29 33.905 30.604 10.302
223 HG23 VAL 29 HG23 VAL 29 35.561 31.191 9.975
224 HA PRO 30 HA PRO 30 40.071 30.412 12.029
225 HB2 PRO 30 HB2 PRO 30 41.600 28.449 13.103
226 HB3 PRO 30 HB3 PRO 30 40.607 29.546 14.108
227 HG2 PRO 30 HG2 PRO 30 39.948 26.724 13.233
228 HG3 PRO 30 HG3 PRO 30 39.764 27.456 14.856
229 HD2 PRO 30 HD2 PRO 30 37.720 27.222 13.006
230 HD3 PRO 30 HD3 PRO 30 37.773 28.502 14.250
231 H TYR 31 H TYR 31 39.877 30.355 9.753
232 HA TYR 31 HA TYR 31 40.540 27.982 8.160
233 HB2 TYR 31 HB2 TYR 31 40.360 30.940 7.461
234 HB3 TYR 31 HB3 TYR 31 40.551 29.633 6.311
235 HD1 TYR 31 HD1 TYR 31 38.430 31.808 6.333
236 HD2 TYR 31 HD2 TYR 31 38.400 27.747 7.814
237 HE1 TYR 31 HE1 TYR 31 36.006 31.617 5.817
238 HE2 TYR 31 HE2 TYR 31 36.002 27.574 7.295
239 HH TYR 31 HH TYR 31 34.138 28.614 6.445
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 16.282 28.524 20.924
2 H2 ALA 1 H2 ALA 1 16.252 29.387 22.326
3 H3 ALA 1 H3 ALA 1 17.691 28.924 21.690
4 HA ALA 1 HA ALA 1 15.800 30.732 20.347
5 HB1 ALA 1 HB1 ALA 1 17.389 32.558 20.925
6 HB2 ALA 1 HB2 ALA 1 16.628 31.843 22.358
7 HB3 ALA 1 HB3 ALA 1 18.304 31.414 21.939
8 H PHE 2 H PHE 2 16.320 31.234 18.257
9 HA PHE 2 HA PHE 2 18.231 29.441 16.979
10 HB2 PHE 2 HB2 PHE 2 16.527 31.614 15.722
11 HB3 PHE 2 HB3 PHE 2 17.279 30.261 14.898
12 HD1 PHE 2 HD1 PHE 2 16.486 27.869 15.452
13 HD2 PHE 2 HD2 PHE 2 14.373 31.420 16.703
14 HE1 PHE 2 HE1 PHE 2 14.454 26.512 15.895
15 HE2 PHE 2 HE2 PHE 2 12.358 30.059 17.163
16 HZ PHE 2 HZ PHE 2 12.390 27.601 16.751
17 H CYS 3 H CYS 3 19.803 29.987 15.415
18 HA CYS 3 HA CYS 3 21.523 32.273 16.021
19 HB2 CYS 3 HB2 CYS 3 22.991 31.244 14.353
20 HB3 CYS 3 HB3 CYS 3 22.437 30.070 15.543
21 H ASN 4 H ASN 4 22.124 33.906 14.610
22 HA ASN 4 HA ASN 4 20.538 34.351 12.109
23 HB2 ASN 4 HB2 ASN 4 21.520 36.480 14.050
24 HB3 ASN 4 HB3 ASN 4 20.695 36.771 12.514
25 HD21 ASN 4 HD21 ASN 4 18.517 36.006 15.784
26 HD22 ASN 4 HD22 ASN 4 20.200 36.506 15.829
27 H LEU 5 H LEU 5 21.826 34.468 10.300
28 HA LEU 5 HA LEU 5 24.542 33.605 10.700
29 HB2 LEU 5 HB2 LEU 5 22.749 34.033 8.314
30 HB3 LEU 5 HB3 LEU 5 24.486 33.848 8.075
31 HG LEU 5 HG LEU 5 24.482 31.747 9.346
32 HD11 LEU 5 HD11 LEU 5 21.443 32.016 9.304
33 HD12 LEU 5 HD12 LEU 5 22.319 30.515 9.666
34 HD13 LEU 5 HD13 LEU 5 22.484 31.895 10.746
35 HD21 LEU 5 HD21 LEU 5 23.430 30.388 7.566
36 HD22 LEU 5 HD22 LEU 5 22.553 31.825 6.992
37 HD23 LEU 5 HD23 LEU 5 24.328 31.756 6.894
38 H ARG 6 H ARG 6 23.380 36.626 9.067
39 HA ARG 6 HA ARG 6 26.015 37.604 8.726
40 HB2 ARG 6 HB2 ARG 6 24.031 38.558 7.586
41 HB3 ARG 6 HB3 ARG 6 23.478 39.253 9.108
42 HG2 ARG 6 HG2 ARG 6 24.592 40.924 7.628
43 HG3 ARG 6 HG3 ARG 6 25.411 40.764 9.187
44 HD2 ARG 6 HD2 ARG 6 27.101 39.285 8.166
45 HD3 ARG 6 HD3 ARG 6 26.268 39.392 6.602
46 HE ARG 6 HE ARG 6 26.903 42.029 7.310
47 HH11 ARG 6 HH11 ARG 6 28.741 39.074 6.714
48 HH12 ARG 6 HH12 ARG 6 30.198 39.971 6.343
49 HH21 ARG 6 HH21 ARG 6 28.622 43.058 6.696
50 HH22 ARG 6 HH22 ARG 6 30.111 42.238 6.207
51 H ARG 7 H ARG 7 23.850 38.031 11.487
52 HA ARG 7 HA ARG 7 25.576 39.611 13.131
53 HB2 ARG 7 HB2 ARG 7 23.055 38.793 13.430
54 HB3 ARG 7 HB3 ARG 7 23.797 37.404 14.204
55 HG2 ARG 7 HG2 ARG 7 23.445 38.706 16.017
56 HG3 ARG 7 HG3 ARG 7 25.071 39.269 15.638
57 HD2 ARG 7 HD2 ARG 7 22.413 40.608 14.916
58 HD3 ARG 7 HD3 ARG 7 23.492 41.093 16.211
59 HE ARG 7 HE ARG 7 25.147 41.829 14.604
60 HH11 ARG 7 HH11 ARG 7 22.157 40.942 12.873
61 HH12 ARG 7 HH12 ARG 7 22.416 42.266 11.762
62 HH21 ARG 7 HH21 ARG 7 25.239 43.459 13.098
63 HH22 ARG 7 HH22 ARG 7 24.043 43.493 11.789
64 H CYS 8 H CYS 8 25.533 36.076 12.616
65 HA CYS 8 HA CYS 8 27.618 35.520 14.539
66 HB2 CYS 8 HB2 CYS 8 25.993 33.857 13.755
67 HB3 CYS 8 HB3 CYS 8 26.638 33.969 12.121
68 H GLU 9 H GLU 9 27.718 36.243 10.999
69 HA GLU 9 HA GLU 9 30.522 35.834 10.633
70 HB2 GLU 9 HB2 GLU 9 28.592 37.741 9.269
71 HB3 GLU 9 HB3 GLU 9 30.243 37.467 8.723
72 HG2 GLU 9 HG2 GLU 9 29.800 35.163 8.193
73 HG3 GLU 9 HG3 GLU 9 28.201 35.223 8.931
74 H LEU 10 H LEU 10 28.777 38.823 11.682
75 HA LEU 10 HA LEU 10 31.125 40.451 11.893
76 HB2 LEU 10 HB2 LEU 10 28.297 40.585 13.045
77 HB3 LEU 10 HB3 LEU 10 29.443 41.893 13.028
78 HG LEU 10 HG LEU 10 28.451 40.617 10.614
79 HD11 LEU 10 HD11 LEU 10 27.009 42.599 10.279
80 HD12 LEU 10 HD12 LEU 10 26.605 41.702 11.755
81 HD13 LEU 10 HD13 LEU 10 27.540 43.216 11.859
82 HD21 LEU 10 HD21 LEU 10 30.569 41.735 10.165
83 HD22 LEU 10 HD22 LEU 10 29.266 42.687 9.448
84 HD23 LEU 10 HD23 LEU 10 29.986 43.209 10.982
85 H SER 11 H SER 11 29.136 38.668 14.219
86 HA SER 11 HA SER 11 30.658 39.314 16.562
87 HB2 SER 11 HB2 SER 11 28.352 38.458 16.576
88 HB3 SER 11 HB3 SER 11 28.942 36.862 16.071
89 HG SER 11 HG SER 11 29.861 36.570 17.994
90 H CYS 12 H CYS 12 31.409 36.966 14.053
91 HA CYS 12 HA CYS 12 33.655 35.852 15.646
92 HB2 CYS 12 HB2 CYS 12 32.755 35.472 12.777
93 HB3 CYS 12 HB3 CYS 12 34.124 34.646 13.511
94 H ARG 13 H ARG 13 33.146 38.501 13.384
95 HA ARG 13 HA ARG 13 35.906 38.814 12.594
96 HB2 ARG 13 HB2 ARG 13 33.877 39.699 11.395
97 HB3 ARG 13 HB3 ARG 13 33.757 40.977 12.607
98 HG2 ARG 13 HG2 ARG 13 35.916 41.879 11.965
99 HG3 ARG 13 HG3 ARG 13 36.284 40.458 10.972
100 HD2 ARG 13 HD2 ARG 13 34.365 41.054 9.468
101 HD3 ARG 13 HD3 ARG 13 34.082 42.496 10.445
102 HE ARG 13 HE ARG 13 35.929 43.544 9.503
103 HH11 ARG 13 HH11 ARG 13 36.116 40.138 8.533
104 HH12 ARG 13 HH12 ARG 13 37.335 40.504 7.333
105 HH21 ARG 13 HH21 ARG 13 37.517 43.840 8.008
106 HH22 ARG 13 HH22 ARG 13 38.095 42.511 7.041
107 H SER 14 H SER 14 34.255 39.705 15.525
108 HA SER 14 HA SER 14 36.142 41.627 16.565
109 HB2 SER 14 HB2 SER 14 35.192 40.969 18.750
110 HB3 SER 14 HB3 SER 14 33.906 41.225 17.548
111 HG SER 14 HG SER 14 33.561 39.260 18.665
112 H LEU 15 H LEU 15 36.070 38.068 16.534
113 HA LEU 15 HA LEU 15 38.657 37.758 17.880
114 HB2 LEU 15 HB2 LEU 15 37.265 35.716 16.126
115 HB3 LEU 15 HB3 LEU 15 38.409 35.433 17.425
116 HG LEU 15 HG LEU 15 35.521 36.362 17.705
117 HD11 LEU 15 HD11 LEU 15 36.871 33.735 18.447
118 HD12 LEU 15 HD12 LEU 15 35.160 34.151 18.687
119 HD13 LEU 15 HD13 LEU 15 35.807 34.001 17.049
120 HD21 LEU 15 HD21 LEU 15 35.838 35.987 20.137
121 HD22 LEU 15 HD22 LEU 15 37.576 35.718 19.872
122 HD23 LEU 15 HD23 LEU 15 36.858 37.314 19.544
123 H GLY 16 H GLY 16 37.490 38.141 14.607
124 HA2 GLY 16 HA2 GLY 16 38.907 39.144 12.913
125 HA3 GLY 16 HA3 GLY 16 40.273 38.206 13.504
126 H LEU 17 H LEU 17 37.321 36.422 13.342
127 HA LEU 17 HA LEU 17 38.112 35.072 10.774
128 HB2 LEU 17 HB2 LEU 17 36.918 33.084 12.092
129 HB3 LEU 17 HB3 LEU 17 38.639 33.341 11.960
130 HG LEU 17 HG LEU 17 37.058 34.198 14.394
131 HD11 LEU 17 HD11 LEU 17 38.653 31.631 13.964
132 HD12 LEU 17 HD12 LEU 17 37.784 32.114 15.436
133 HD13 LEU 17 HD13 LEU 17 36.893 31.721 13.962
134 HD21 LEU 17 HD21 LEU 17 39.292 33.951 15.517
135 HD22 LEU 17 HD22 LEU 17 40.033 33.596 13.948
136 HD23 LEU 17 HD23 LEU 17 39.363 35.194 14.279
137 H LEU 18 H LEU 18 36.176 33.578 10.120
138 HA LEU 18 HA LEU 18 33.751 35.314 9.876
139 HB2 LEU 18 HB2 LEU 18 34.831 33.013 8.221
140 HB3 LEU 18 HB3 LEU 18 33.231 33.691 7.961
141 HG LEU 18 HG LEU 18 35.650 35.528 7.967
142 HD11 LEU 18 HD11 LEU 18 34.633 33.900 5.623
143 HD12 LEU 18 HD12 LEU 18 35.872 35.188 5.559
144 HD13 LEU 18 HD13 LEU 18 36.204 33.699 6.441
145 HD21 LEU 18 HD21 LEU 18 34.260 36.859 6.480
146 HD22 LEU 18 HD22 LEU 18 33.010 35.593 6.449
147 HD23 LEU 18 HD23 LEU 18 33.343 36.488 7.946
148 H GLY 19 H GLY 19 31.694 33.889 9.591
149 HA2 GLY 19 HA2 GLY 19 31.503 32.135 12.007
150 HA3 GLY 19 HA3 GLY 19 30.312 33.351 11.604
151 H LYS 20 H LYS 20 29.827 30.650 12.128
152 HA LYS 20 HA LYS 20 28.265 29.834 9.766
153 HB2 LYS 20 HB2 LYS 20 30.667 28.663 9.960
154 HB3 LYS 20 HB3 LYS 20 29.924 27.790 11.290
155 HG2 LYS 20 HG2 LYS 20 29.587 26.369 9.456
156 HG3 LYS 20 HG3 LYS 20 28.029 27.201 9.572
157 HD2 LYS 20 HD2 LYS 20 28.947 28.874 7.849
158 HD3 LYS 20 HD3 LYS 20 30.352 27.811 7.687
159 HE2 LYS 20 HE2 LYS 20 28.674 25.914 7.162
160 HE3 LYS 20 HE3 LYS 20 27.436 27.180 7.061
161 HZ1 LYS 20 HZ1 LYS 20 28.924 28.244 5.345
162 HZ2 LYS 20 HZ2 LYS 20 29.822 26.862 5.335
163 HZ3 LYS 20 HZ3 LYS 20 28.240 26.820 4.889
164 H CYS 21 H CYS 21 26.278 28.894 10.391
165 HA CYS 21 HA CYS 21 25.775 28.663 13.315
166 HB2 CYS 21 HB2 CYS 21 24.051 29.684 11.851
167 HB3 CYS 21 HB3 CYS 21 23.849 28.114 11.053
168 H ILE 22 H ILE 22 25.957 26.791 14.395
169 HA ILE 22 HA ILE 22 25.836 24.195 12.933
170 HB ILE 22 HB ILE 22 28.010 24.927 14.925
171 HG12 ILE 22 HG12 ILE 22 28.053 24.340 11.927
172 HG13 ILE 22 HG13 ILE 22 28.487 25.856 12.724
173 HG21 ILE 22 HG21 ILE 22 27.436 22.282 13.496
174 HG22 ILE 22 HG22 ILE 22 28.795 22.606 14.588
175 HG23 ILE 22 HG23 ILE 22 27.172 22.586 15.227
176 HD11 ILE 22 HD11 ILE 22 30.034 23.253 12.792
177 HD12 ILE 22 HD12 ILE 22 30.508 24.793 12.063
178 HD13 ILE 22 HD13 ILE 22 30.405 24.653 13.832
179 H GLY 23 H GLY 23 23.910 23.654 13.618
180 HA2 GLY 23 HA2 GLY 23 22.429 22.566 15.040
181 HA3 GLY 23 HA3 GLY 23 23.656 22.572 16.306
182 H GLU 24 H GLU 24 21.738 25.038 14.557
183 HA GLU 24 HA GLU 24 20.454 26.782 15.209
184 HB2 GLU 24 HB2 GLU 24 19.951 25.104 17.677
185 HB3 GLU 24 HB3 GLU 24 18.957 26.460 17.147
186 HG2 GLU 24 HG2 GLU 24 18.033 25.303 15.370
187 HG3 GLU 24 HG3 GLU 24 19.379 24.183 15.219
188 H LYS 25 H LYS 25 23.357 26.800 16.107
189 HA LYS 25 HA LYS 25 23.231 29.364 17.517
190 HB2 LYS 25 HB2 LYS 25 24.520 28.762 19.420
191 HB3 LYS 25 HB3 LYS 25 23.121 27.721 19.305
192 HG2 LYS 25 HG2 LYS 25 24.727 26.229 19.954
193 HG3 LYS 25 HG3 LYS 25 24.657 25.959 18.222
194 HD2 LYS 25 HD2 LYS 25 26.940 25.905 18.991
195 HD3 LYS 25 HD3 LYS 25 26.755 27.321 17.965
196 HE2 LYS 25 HE2 LYS 25 26.507 28.750 20.012
197 HE3 LYS 25 HE3 LYS 25 26.673 27.308 21.023
198 HZ1 LYS 25 HZ1 LYS 25 28.763 28.464 20.823
199 HZ2 LYS 25 HZ2 LYS 25 28.900 27.006 20.043
200 HZ3 LYS 25 HZ3 LYS 25 28.727 28.414 19.196
201 H CYS 26 H CYS 26 25.323 30.484 17.604
202 HA CYS 26 HA CYS 26 26.720 30.136 15.063
203 HB2 CYS 26 HB2 CYS 26 25.989 32.316 15.782
204 HB3 CYS 26 HB3 CYS 26 26.864 32.163 17.295
205 H GLU 27 H GLU 27 28.717 29.478 14.611
206 HA GLU 27 HA GLU 27 30.860 29.221 16.660
207 HB2 GLU 27 HB2 GLU 27 29.906 27.362 14.465
208 HB3 GLU 27 HB3 GLU 27 31.613 27.397 14.850
209 HG2 GLU 27 HG2 GLU 27 29.527 27.047 17.033
210 HG3 GLU 27 HG3 GLU 27 30.066 25.707 16.040
211 H CYS 28 H CYS 28 33.028 29.424 15.708
212 HA CYS 28 HA CYS 28 33.079 31.205 13.314
213 HB2 CYS 28 HB2 CYS 28 34.888 31.354 15.736
214 HB3 CYS 28 HB3 CYS 28 34.865 32.442 14.345
215 H VAL 29 H VAL 29 35.001 31.135 11.999
216 HA VAL 29 HA VAL 29 36.162 28.387 11.924
217 HB VAL 29 HB VAL 29 36.528 28.820 9.531
218 HG11 VAL 29 HG11 VAL 29 34.690 27.447 10.369
219 HG12 VAL 29 HG12 VAL 29 33.664 28.886 10.563
220 HG13 VAL 29 HG13 VAL 29 34.176 28.367 8.945
221 HG21 VAL 29 HG21 VAL 29 35.367 30.506 8.333
222 HG22 VAL 29 HG22 VAL 29 34.501 31.055 9.766
223 HG23 VAL 29 HG23 VAL 29 36.232 31.402 9.592
224 HA PRO 30 HA PRO 30 40.309 30.173 12.387
225 HB2 PRO 30 HB2 PRO 30 40.918 27.213 12.533
226 HB3 PRO 30 HB3 PRO 30 41.569 28.553 13.527
227 HG2 PRO 30 HG2 PRO 30 39.636 26.959 14.527
228 HG3 PRO 30 HG3 PRO 30 39.496 28.736 14.741
229 HD2 PRO 30 HD2 PRO 30 38.196 26.999 12.608
230 HD3 PRO 30 HD3 PRO 30 37.445 28.200 13.698
231 H TYR 31 H TYR 31 39.144 29.972 9.811
232 HA TYR 31 HA TYR 31 41.000 28.563 7.994
233 HB2 TYR 31 HB2 TYR 31 38.640 30.376 7.404
234 HB3 TYR 31 HB3 TYR 31 39.537 29.431 6.230
235 HD1 TYR 31 HD1 TYR 31 36.741 29.271 6.160
236 HD2 TYR 31 HD2 TYR 31 39.457 27.016 8.644
237 HE1 TYR 31 HE1 TYR 31 35.080 27.430 6.326
238 HE2 TYR 31 HE2 TYR 31 37.775 25.214 8.847
239 HH TYR 31 HH TYR 31 34.498 25.561 7.681
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 17.698 31.158 21.123
2 H2 ALA 1 H2 ALA 1 16.088 31.175 20.713
3 H3 ALA 1 H3 ALA 1 16.758 32.439 21.521
4 HA ALA 1 HA ALA 1 16.388 32.960 19.220
5 HB1 ALA 1 HB1 ALA 1 18.722 33.743 18.696
6 HB2 ALA 1 HB2 ALA 1 18.131 34.232 20.277
7 HB3 ALA 1 HB3 ALA 1 19.288 32.882 20.142
8 H PHE 2 H PHE 2 16.635 32.593 17.130
9 HA PHE 2 HA PHE 2 17.703 30.041 16.124
10 HB2 PHE 2 HB2 PHE 2 16.495 32.375 14.615
11 HB3 PHE 2 HB3 PHE 2 16.686 30.720 14.053
12 HD1 PHE 2 HD1 PHE 2 15.436 28.844 15.416
13 HD2 PHE 2 HD2 PHE 2 14.491 33.044 15.639
14 HE1 PHE 2 HE1 PHE 2 13.243 28.298 16.430
15 HE2 PHE 2 HE2 PHE 2 12.329 32.500 16.669
16 HZ PHE 2 HZ PHE 2 11.676 30.128 17.079
17 H CYS 3 H CYS 3 18.939 30.188 13.997
18 HA CYS 3 HA CYS 3 21.427 31.658 14.223
19 HB2 CYS 3 HB2 CYS 3 21.329 29.571 12.979
20 HB3 CYS 3 HB3 CYS 3 20.064 30.215 11.930
21 H ASN 4 H ASN 4 21.942 33.649 13.592
22 HA ASN 4 HA ASN 4 20.468 35.047 11.395
23 HB2 ASN 4 HB2 ASN 4 21.459 36.212 14.030
24 HB3 ASN 4 HB3 ASN 4 21.035 37.187 12.623
25 HD21 ASN 4 HD21 ASN 4 17.494 35.646 13.499
26 HD22 ASN 4 HD22 ASN 4 18.718 34.745 12.624
27 H LEU 5 H LEU 5 22.033 34.221 9.979
28 HA LEU 5 HA LEU 5 24.704 33.707 10.614
29 HB2 LEU 5 HB2 LEU 5 23.323 32.689 8.847
30 HB3 LEU 5 HB3 LEU 5 23.400 34.173 7.911
31 HG LEU 5 HG LEU 5 24.817 32.278 7.149
32 HD11 LEU 5 HD11 LEU 5 26.692 33.536 6.455
33 HD12 LEU 5 HD12 LEU 5 25.297 34.616 6.470
34 HD13 LEU 5 HD13 LEU 5 26.522 34.710 7.758
35 HD21 LEU 5 HD21 LEU 5 25.585 31.478 9.365
36 HD22 LEU 5 HD22 LEU 5 26.909 31.737 8.218
37 HD23 LEU 5 HD23 LEU 5 26.630 32.916 9.510
38 H ARG 6 H ARG 6 23.339 36.614 9.035
39 HA ARG 6 HA ARG 6 25.867 37.843 8.437
40 HB2 ARG 6 HB2 ARG 6 23.059 38.944 8.837
41 HB3 ARG 6 HB3 ARG 6 24.433 39.999 8.479
42 HG2 ARG 6 HG2 ARG 6 24.934 38.709 6.431
43 HG3 ARG 6 HG3 ARG 6 23.525 37.672 6.736
44 HD2 ARG 6 HD2 ARG 6 22.008 39.547 6.476
45 HD3 ARG 6 HD3 ARG 6 23.348 40.696 6.408
46 HE ARG 6 HE ARG 6 22.727 38.600 4.343
47 HH11 ARG 6 HH11 ARG 6 24.152 41.791 4.975
48 HH12 ARG 6 HH12 ARG 6 24.817 41.848 3.362
49 HH21 ARG 6 HH21 ARG 6 23.461 38.924 2.283
50 HH22 ARG 6 HH22 ARG 6 24.497 40.268 1.930
51 H ARG 7 H ARG 7 23.935 37.897 11.381
52 HA ARG 7 HA ARG 7 25.752 39.751 12.795
53 HB2 ARG 7 HB2 ARG 7 23.417 38.059 13.792
54 HB3 ARG 7 HB3 ARG 7 24.374 39.170 14.783
55 HG2 ARG 7 HG2 ARG 7 23.709 41.064 13.302
56 HG3 ARG 7 HG3 ARG 7 22.668 39.957 12.388
57 HD2 ARG 7 HD2 ARG 7 21.372 39.479 14.442
58 HD3 ARG 7 HD3 ARG 7 22.424 40.555 15.367
59 HE ARG 7 HE ARG 7 20.832 41.550 13.029
60 HH11 ARG 7 HH11 ARG 7 21.596 42.022 16.483
61 HH12 ARG 7 HH12 ARG 7 20.372 43.257 16.603
62 HH21 ARG 7 HH21 ARG 7 19.535 43.359 13.349
63 HH22 ARG 7 HH22 ARG 7 19.578 44.159 14.907
64 H CYS 8 H CYS 8 25.270 36.214 12.612
65 HA CYS 8 HA CYS 8 27.174 35.475 14.591
66 HB2 CYS 8 HB2 CYS 8 25.594 33.910 13.591
67 HB3 CYS 8 HB3 CYS 8 26.330 34.124 12.011
68 H GLU 9 H GLU 9 27.718 36.173 11.078
69 HA GLU 9 HA GLU 9 30.551 35.843 11.104
70 HB2 GLU 9 HB2 GLU 9 28.741 37.710 9.543
71 HB3 GLU 9 HB3 GLU 9 30.485 37.585 9.259
72 HG2 GLU 9 HG2 GLU 9 30.243 35.186 8.741
73 HG3 GLU 9 HG3 GLU 9 28.501 35.290 8.988
74 H LEU 10 H LEU 10 28.625 38.772 11.949
75 HA LEU 10 HA LEU 10 30.904 40.414 12.464
76 HB2 LEU 10 HB2 LEU 10 28.713 41.282 11.871
77 HB3 LEU 10 HB3 LEU 10 27.996 40.571 13.316
78 HG LEU 10 HG LEU 10 29.266 42.075 14.754
79 HD11 LEU 10 HD11 LEU 10 30.487 44.020 13.773
80 HD12 LEU 10 HD12 LEU 10 31.297 42.496 13.419
81 HD13 LEU 10 HD13 LEU 10 30.326 43.295 12.159
82 HD21 LEU 10 HD21 LEU 10 27.866 43.570 12.503
83 HD22 LEU 10 HD22 LEU 10 27.048 42.726 13.832
84 HD23 LEU 10 HD23 LEU 10 28.083 44.118 14.184
85 H SER 11 H SER 11 29.085 38.201 14.599
86 HA SER 11 HA SER 11 30.371 38.840 17.064
87 HB2 SER 11 HB2 SER 11 29.518 36.093 16.063
88 HB3 SER 11 HB3 SER 11 29.904 36.528 17.725
89 HG SER 11 HG SER 11 27.740 36.557 17.492
90 H CYS 12 H CYS 12 31.470 36.738 14.362
91 HA CYS 12 HA CYS 12 33.940 36.046 15.812
92 HB2 CYS 12 HB2 CYS 12 33.158 35.358 12.977
93 HB3 CYS 12 HB3 CYS 12 34.410 34.620 13.994
94 H ARG 13 H ARG 13 32.977 38.414 13.397
95 HA ARG 13 HA ARG 13 35.520 39.041 12.331
96 HB2 ARG 13 HB2 ARG 13 33.250 39.876 11.558
97 HB3 ARG 13 HB3 ARG 13 33.247 40.991 12.935
98 HG2 ARG 13 HG2 ARG 13 33.912 42.153 10.919
99 HG3 ARG 13 HG3 ARG 13 35.288 42.085 12.019
100 HD2 ARG 13 HD2 ARG 13 36.283 40.237 10.736
101 HD3 ARG 13 HD3 ARG 13 34.865 40.177 9.683
102 HE ARG 13 HE ARG 13 36.917 42.348 9.828
103 HH11 ARG 13 HH11 ARG 13 34.198 40.999 8.000
104 HH12 ARG 13 HH12 ARG 13 34.755 41.752 6.526
105 HH21 ARG 13 HH21 ARG 13 37.445 43.363 7.920
106 HH22 ARG 13 HH22 ARG 13 36.475 43.100 6.504
107 H SER 14 H SER 14 34.083 40.018 15.405
108 HA SER 14 HA SER 14 36.117 41.730 16.415
109 HB2 SER 14 HB2 SER 14 34.444 39.685 17.916
110 HB3 SER 14 HB3 SER 14 35.240 41.103 18.612
111 HG SER 14 HG SER 14 33.000 41.346 18.185
112 H LEU 15 H LEU 15 36.435 38.418 15.594
113 HA LEU 15 HA LEU 15 38.834 38.010 17.315
114 HB2 LEU 15 HB2 LEU 15 37.101 35.918 15.953
115 HB3 LEU 15 HB3 LEU 15 38.398 35.624 17.092
116 HG LEU 15 HG LEU 15 35.753 36.982 17.732
117 HD11 LEU 15 HD11 LEU 15 36.812 34.224 18.464
118 HD12 LEU 15 HD12 LEU 15 35.253 34.925 18.954
119 HD13 LEU 15 HD13 LEU 15 35.558 34.567 17.249
120 HD21 LEU 15 HD21 LEU 15 37.563 37.809 19.209
121 HD22 LEU 15 HD22 LEU 15 36.519 36.712 20.102
122 HD23 LEU 15 HD23 LEU 15 38.090 36.139 19.517
123 H GLY 16 H GLY 16 38.009 38.793 14.157
124 HA2 GLY 16 HA2 GLY 16 39.240 38.791 12.192
125 HA3 GLY 16 HA3 GLY 16 40.540 37.906 12.994
126 H LEU 17 H LEU 17 37.462 36.367 13.338
127 HA LEU 17 HA LEU 17 38.122 34.356 11.193
128 HB2 LEU 17 HB2 LEU 17 36.191 34.057 13.486
129 HB3 LEU 17 HB3 LEU 17 36.685 32.811 12.401
130 HG LEU 17 HG LEU 17 37.967 34.099 14.675
131 HD11 LEU 17 HD11 LEU 17 38.624 31.730 15.338
132 HD12 LEU 17 HD12 LEU 17 36.938 32.159 15.373
133 HD13 LEU 17 HD13 LEU 17 37.583 31.190 14.012
134 HD21 LEU 17 HD21 LEU 17 39.854 34.184 13.104
135 HD22 LEU 17 HD22 LEU 17 40.184 32.869 14.204
136 HD23 LEU 17 HD23 LEU 17 39.557 32.514 12.584
137 H LEU 18 H LEU 18 36.010 33.243 10.602
138 HA LEU 18 HA LEU 18 33.900 35.206 9.815
139 HB2 LEU 18 HB2 LEU 18 35.189 34.146 7.880
140 HB3 LEU 18 HB3 LEU 18 34.533 32.598 8.393
141 HG LEU 18 HG LEU 18 32.213 33.484 7.999
142 HD11 LEU 18 HD11 LEU 18 33.725 35.851 6.783
143 HD12 LEU 18 HD12 LEU 18 31.994 35.522 6.600
144 HD13 LEU 18 HD13 LEU 18 32.640 35.924 8.188
145 HD21 LEU 18 HD21 LEU 18 32.362 33.384 5.548
146 HD22 LEU 18 HD22 LEU 18 34.119 33.632 5.619
147 HD23 LEU 18 HD23 LEU 18 33.387 32.154 6.289
148 H GLY 19 H GLY 19 31.682 34.261 9.968
149 HA2 GLY 19 HA2 GLY 19 31.460 32.322 12.241
150 HA3 GLY 19 HA3 GLY 19 30.344 33.644 11.949
151 H LYS 20 H LYS 20 30.109 30.653 12.132
152 HA LYS 20 HA LYS 20 28.353 30.198 9.756
153 HB2 LYS 20 HB2 LYS 20 30.635 29.263 9.427
154 HB3 LYS 20 HB3 LYS 20 30.471 28.289 10.867
155 HG2 LYS 20 HG2 LYS 20 28.410 28.007 8.673
156 HG3 LYS 20 HG3 LYS 20 30.034 27.392 8.396
157 HD2 LYS 20 HD2 LYS 20 29.907 25.939 10.366
158 HD3 LYS 20 HD3 LYS 20 28.312 26.559 10.757
159 HE2 LYS 20 HE2 LYS 20 28.082 24.409 9.707
160 HE3 LYS 20 HE3 LYS 20 27.407 25.627 8.635
161 HZ1 LYS 20 HZ1 LYS 20 28.929 23.892 7.585
162 HZ2 LYS 20 HZ2 LYS 20 29.299 25.441 7.222
163 HZ3 LYS 20 HZ3 LYS 20 30.192 24.647 8.326
164 H CYS 21 H CYS 21 26.452 29.145 10.226
165 HA CYS 21 HA CYS 21 25.860 28.541 13.083
166 HB2 CYS 21 HB2 CYS 21 24.088 28.791 10.636
167 HB3 CYS 21 HB3 CYS 21 23.518 28.302 12.229
168 H ILE 22 H ILE 22 25.720 26.497 13.828
169 HA ILE 22 HA ILE 22 26.149 24.177 12.072
170 HB ILE 22 HB ILE 22 25.470 24.336 15.033
171 HG12 ILE 22 HG12 ILE 22 27.591 25.424 14.649
172 HG13 ILE 22 HG13 ILE 22 27.834 23.894 15.466
173 HG21 ILE 22 HG21 ILE 22 24.868 22.140 14.210
174 HG22 ILE 22 HG22 ILE 22 26.410 21.978 13.350
175 HG23 ILE 22 HG23 ILE 22 26.367 22.004 15.128
176 HD11 ILE 22 HD11 ILE 22 28.340 24.412 12.498
177 HD12 ILE 22 HD12 ILE 22 29.557 24.254 13.765
178 HD13 ILE 22 HD13 ILE 22 28.578 22.850 13.324
179 H GLY 23 H GLY 23 23.533 25.262 14.143
180 HA2 GLY 23 HA2 GLY 23 21.489 24.374 12.162
181 HA3 GLY 23 HA3 GLY 23 21.280 23.942 13.876
182 H GLU 24 H GLU 24 20.995 25.570 15.405
183 HA GLU 24 HA GLU 24 20.384 28.351 14.453
184 HB2 GLU 24 HB2 GLU 24 19.859 27.124 17.181
185 HB3 GLU 24 HB3 GLU 24 19.334 28.687 16.594
186 HG2 GLU 24 HG2 GLU 24 18.298 25.944 15.906
187 HG3 GLU 24 HG3 GLU 24 17.418 27.319 16.559
188 H LYS 25 H LYS 25 22.547 26.425 16.474
189 HA LYS 25 HA LYS 25 23.739 28.595 17.912
190 HB2 LYS 25 HB2 LYS 25 23.595 26.231 18.633
191 HB3 LYS 25 HB3 LYS 25 24.774 25.764 17.412
192 HG2 LYS 25 HG2 LYS 25 25.462 27.923 19.416
193 HG3 LYS 25 HG3 LYS 25 25.417 26.244 19.952
194 HD2 LYS 25 HD2 LYS 25 27.086 25.603 18.258
195 HD3 LYS 25 HD3 LYS 25 27.195 27.270 17.698
196 HE2 LYS 25 HE2 LYS 25 27.877 26.276 20.508
197 HE3 LYS 25 HE3 LYS 25 29.042 26.653 19.231
198 HZ1 LYS 25 HZ1 LYS 25 28.904 28.541 20.629
199 HZ2 LYS 25 HZ2 LYS 25 28.086 28.967 19.275
200 HZ3 LYS 25 HZ3 LYS 25 27.277 28.561 20.661
201 H CYS 26 H CYS 26 25.166 30.028 17.322
202 HA CYS 26 HA CYS 26 26.639 29.919 14.776
203 HB2 CYS 26 HB2 CYS 26 25.579 31.991 15.439
204 HB3 CYS 26 HB3 CYS 26 26.339 31.925 17.031
205 H GLU 27 H GLU 27 28.815 29.467 14.528
206 HA GLU 27 HA GLU 27 30.627 29.941 16.753
207 HB2 GLU 27 HB2 GLU 27 31.724 27.799 16.725
208 HB3 GLU 27 HB3 GLU 27 30.049 27.626 17.214
209 HG2 GLU 27 HG2 GLU 27 29.443 26.672 15.077
210 HG3 GLU 27 HG3 GLU 27 31.020 27.075 14.383
211 H CYS 28 H CYS 28 32.956 29.724 16.096
212 HA CYS 28 HA CYS 28 33.152 31.177 13.518
213 HB2 CYS 28 HB2 CYS 28 34.956 31.259 15.937
214 HB3 CYS 28 HB3 CYS 28 34.965 32.357 14.543
215 H VAL 29 H VAL 29 35.166 31.149 12.287
216 HA VAL 29 HA VAL 29 36.252 28.368 12.151
217 HB VAL 29 HB VAL 29 35.894 28.131 9.936
218 HG11 VAL 29 HG11 VAL 29 33.693 30.152 10.426
219 HG12 VAL 29 HG12 VAL 29 33.680 28.780 9.318
220 HG13 VAL 29 HG13 VAL 29 33.643 28.478 11.068
221 HG21 VAL 29 HG21 VAL 29 37.008 30.015 8.979
222 HG22 VAL 29 HG22 VAL 29 35.373 29.976 8.323
223 HG23 VAL 29 HG23 VAL 29 35.765 31.133 9.623
224 HA PRO 30 HA PRO 30 40.217 30.214 12.395
225 HB2 PRO 30 HB2 PRO 30 41.888 28.123 11.893
226 HB3 PRO 30 HB3 PRO 30 40.784 28.173 13.294
227 HG2 PRO 30 HG2 PRO 30 40.267 26.843 10.606
228 HG3 PRO 30 HG3 PRO 30 40.145 26.108 12.240
229 HD2 PRO 30 HD2 PRO 30 37.957 27.143 10.989
230 HD3 PRO 30 HD3 PRO 30 38.190 27.338 12.749
231 H TYR 31 H TYR 31 39.532 31.580 10.392
232 HA TYR 31 HA TYR 31 41.073 31.306 7.977
233 HB2 TYR 31 HB2 TYR 31 39.504 33.476 9.360
234 HB3 TYR 31 HB3 TYR 31 40.679 33.964 8.154
235 HD1 TYR 31 HD1 TYR 31 40.587 33.303 5.845
236 HD2 TYR 31 HD2 TYR 31 37.431 32.223 8.598
237 HE1 TYR 31 HE1 TYR 31 39.113 32.774 3.939
238 HE2 TYR 31 HE2 TYR 31 35.980 31.658 6.687
239 HH TYR 31 HH TYR 31 37.062 32.176 3.269
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 15.312 29.642 18.864
2 H2 ALA 1 H2 ALA 1 14.506 30.797 19.710
3 H3 ALA 1 H3 ALA 1 16.140 30.973 19.425
4 HA ALA 1 HA ALA 1 14.104 30.837 17.293
5 HB1 ALA 1 HB1 ALA 1 13.708 32.865 18.673
6 HB2 ALA 1 HB2 ALA 1 15.418 33.339 18.466
7 HB3 ALA 1 HB3 ALA 1 14.324 33.284 17.053
8 H PHE 2 H PHE 2 15.008 30.824 15.218
9 HA PHE 2 HA PHE 2 17.469 29.622 14.995
10 HB2 PHE 2 HB2 PHE 2 16.278 31.318 12.782
11 HB3 PHE 2 HB3 PHE 2 17.323 29.913 12.607
12 HD1 PHE 2 HD1 PHE 2 14.158 30.863 11.962
13 HD2 PHE 2 HD2 PHE 2 16.182 27.810 14.245
14 HE1 PHE 2 HE1 PHE 2 12.147 29.434 11.851
15 HE2 PHE 2 HE2 PHE 2 14.153 26.394 14.136
16 HZ PHE 2 HZ PHE 2 12.138 27.185 12.933
17 H CYS 3 H CYS 3 19.513 30.015 14.504
18 HA CYS 3 HA CYS 3 20.868 32.356 15.269
19 HB2 CYS 3 HB2 CYS 3 22.789 31.192 14.132
20 HB3 CYS 3 HB3 CYS 3 21.920 30.219 15.304
21 H ASN 4 H ASN 4 21.096 34.296 14.286
22 HA ASN 4 HA ASN 4 20.487 34.659 11.424
23 HB2 ASN 4 HB2 ASN 4 19.849 36.323 13.198
24 HB3 ASN 4 HB3 ASN 4 21.543 36.613 13.511
25 HD21 ASN 4 HD21 ASN 4 19.701 38.291 10.301
26 HD22 ASN 4 HD22 ASN 4 18.815 37.324 11.514
27 H LEU 5 H LEU 5 21.992 34.375 9.831
28 HA LEU 5 HA LEU 5 24.672 33.688 10.584
29 HB2 LEU 5 HB2 LEU 5 23.024 33.171 8.434
30 HB3 LEU 5 HB3 LEU 5 24.142 34.312 7.716
31 HG LEU 5 HG LEU 5 24.914 32.121 7.321
32 HD11 LEU 5 HD11 LEU 5 26.678 33.153 9.561
33 HD12 LEU 5 HD12 LEU 5 27.128 32.031 8.280
34 HD13 LEU 5 HD13 LEU 5 26.709 33.703 7.875
35 HD21 LEU 5 HD21 LEU 5 25.007 31.529 10.307
36 HD22 LEU 5 HD22 LEU 5 23.713 30.991 9.224
37 HD23 LEU 5 HD23 LEU 5 25.365 30.420 8.969
38 H ARG 6 H ARG 6 23.377 36.586 8.932
39 HA ARG 6 HA ARG 6 25.884 37.902 8.568
40 HB2 ARG 6 HB2 ARG 6 23.708 38.471 7.463
41 HB3 ARG 6 HB3 ARG 6 23.125 39.139 8.984
42 HG2 ARG 6 HG2 ARG 6 23.804 40.907 7.483
43 HG3 ARG 6 HG3 ARG 6 24.903 40.890 8.865
44 HD2 ARG 6 HD2 ARG 6 26.618 39.750 7.534
45 HD3 ARG 6 HD3 ARG 6 25.498 39.596 6.170
46 HE ARG 6 HE ARG 6 25.584 42.323 6.625
47 HH11 ARG 6 HH11 ARG 6 27.959 39.897 5.685
48 HH12 ARG 6 HH12 ARG 6 29.064 41.122 5.070
49 HH21 ARG 6 HH21 ARG 6 27.007 43.783 5.624
50 HH22 ARG 6 HH22 ARG 6 28.403 43.124 4.824
51 H ARG 7 H ARG 7 23.777 37.787 11.471
52 HA ARG 7 HA ARG 7 25.563 39.565 13.009
53 HB2 ARG 7 HB2 ARG 7 23.372 37.626 13.836
54 HB3 ARG 7 HB3 ARG 7 24.223 38.686 14.950
55 HG2 ARG 7 HG2 ARG 7 23.402 40.688 13.833
56 HG3 ARG 7 HG3 ARG 7 22.621 39.734 12.574
57 HD2 ARG 7 HD2 ARG 7 21.132 38.676 14.234
58 HD3 ARG 7 HD3 ARG 7 21.940 39.545 15.533
59 HE ARG 7 HE ARG 7 20.029 40.641 13.540
60 HH11 ARG 7 HH11 ARG 7 22.230 41.471 16.180
61 HH12 ARG 7 HH12 ARG 7 21.316 42.962 16.470
62 HH21 ARG 7 HH21 ARG 7 19.210 42.598 13.860
63 HH22 ARG 7 HH22 ARG 7 19.752 43.578 15.238
64 H CYS 8 H CYS 8 25.354 36.009 12.578
65 HA CYS 8 HA CYS 8 27.274 35.408 14.641
66 HB2 CYS 8 HB2 CYS 8 25.771 33.746 13.726
67 HB3 CYS 8 HB3 CYS 8 26.459 33.936 12.116
68 H GLU 9 H GLU 9 27.710 36.047 11.103
69 HA GLU 9 HA GLU 9 30.572 35.773 11.115
70 HB2 GLU 9 HB2 GLU 9 28.686 37.364 9.324
71 HB3 GLU 9 HB3 GLU 9 30.430 37.253 9.074
72 HG2 GLU 9 HG2 GLU 9 30.269 34.785 8.926
73 HG3 GLU 9 HG3 GLU 9 28.521 34.886 9.111
74 H LEU 10 H LEU 10 28.522 38.587 11.872
75 HA LEU 10 HA LEU 10 30.629 40.496 12.291
76 HB2 LEU 10 HB2 LEU 10 28.351 41.193 11.921
77 HB3 LEU 10 HB3 LEU 10 27.763 40.211 13.245
78 HG LEU 10 HG LEU 10 28.873 41.688 14.883
79 HD11 LEU 10 HD11 LEU 10 30.700 42.583 13.422
80 HD12 LEU 10 HD12 LEU 10 29.468 43.441 12.470
81 HD13 LEU 10 HD13 LEU 10 29.748 43.864 14.174
82 HD21 LEU 10 HD21 LEU 10 27.336 43.601 14.546
83 HD22 LEU 10 HD22 LEU 10 27.040 43.075 12.879
84 HD23 LEU 10 HD23 LEU 10 26.530 42.055 14.245
85 H SER 11 H SER 11 29.067 38.154 14.489
86 HA SER 11 HA SER 11 30.310 39.027 16.909
87 HB2 SER 11 HB2 SER 11 28.374 37.421 16.685
88 HB3 SER 11 HB3 SER 11 29.516 36.158 16.211
89 HG SER 11 HG SER 11 30.228 36.032 18.229
90 H CYS 12 H CYS 12 31.389 36.667 14.444
91 HA CYS 12 HA CYS 12 33.859 35.998 15.836
92 HB2 CYS 12 HB2 CYS 12 32.948 35.500 12.983
93 HB3 CYS 12 HB3 CYS 12 34.292 34.710 13.788
94 H ARG 13 H ARG 13 32.900 38.485 13.594
95 HA ARG 13 HA ARG 13 35.383 39.086 12.331
96 HB2 ARG 13 HB2 ARG 13 33.034 39.972 11.804
97 HB3 ARG 13 HB3 ARG 13 33.280 41.169 13.062
98 HG2 ARG 13 HG2 ARG 13 35.237 42.066 11.850
99 HG3 ARG 13 HG3 ARG 13 35.076 40.811 10.628
100 HD2 ARG 13 HD2 ARG 13 32.942 42.887 11.263
101 HD3 ARG 13 HD3 ARG 13 34.118 43.035 9.959
102 HE ARG 13 HE ARG 13 33.173 40.923 8.962
103 HH11 ARG 13 HH11 ARG 13 31.018 43.223 10.611
104 HH12 ARG 13 HH12 ARG 13 29.617 42.361 9.979
105 HH21 ARG 13 HH21 ARG 13 31.231 39.999 8.222
106 HH22 ARG 13 HH22 ARG 13 29.730 40.779 8.718
107 H SER 14 H SER 14 34.233 40.157 15.544
108 HA SER 14 HA SER 14 36.398 41.907 16.148
109 HB2 SER 14 HB2 SER 14 34.835 40.148 18.072
110 HB3 SER 14 HB3 SER 14 35.842 41.545 18.502
111 HG SER 14 HG SER 14 33.750 42.224 18.392
112 H LEU 15 H LEU 15 36.305 38.403 16.108
113 HA LEU 15 HA LEU 15 38.784 38.059 17.655
114 HB2 LEU 15 HB2 LEU 15 37.316 36.018 15.955
115 HB3 LEU 15 HB3 LEU 15 38.458 35.718 17.257
116 HG LEU 15 HG LEU 15 35.665 36.894 17.576
117 HD11 LEU 15 HD11 LEU 15 36.722 34.132 18.268
118 HD12 LEU 15 HD12 LEU 15 35.076 34.743 18.546
119 HD13 LEU 15 HD13 LEU 15 35.670 34.526 16.891
120 HD21 LEU 15 HD21 LEU 15 36.036 36.484 20.000
121 HD22 LEU 15 HD22 LEU 15 37.713 36.004 19.663
122 HD23 LEU 15 HD23 LEU 15 37.178 37.676 19.373
123 H GLY 16 H GLY 16 37.745 38.208 14.297
124 HA2 GLY 16 HA2 GLY 16 39.277 38.890 12.533
125 HA3 GLY 16 HA3 GLY 16 40.556 37.947 13.291
126 H LEU 17 H LEU 17 37.400 36.430 13.191
127 HA LEU 17 HA LEU 17 38.093 34.868 10.759
128 HB2 LEU 17 HB2 LEU 17 37.275 32.821 12.027
129 HB3 LEU 17 HB3 LEU 17 38.939 33.335 12.155
130 HG LEU 17 HG LEU 17 36.924 33.986 14.334
131 HD11 LEU 17 HD11 LEU 17 38.760 31.547 14.117
132 HD12 LEU 17 HD12 LEU 17 37.703 31.954 15.487
133 HD13 LEU 17 HD13 LEU 17 37.008 31.515 13.929
134 HD21 LEU 17 HD21 LEU 17 39.969 33.616 14.327
135 HD22 LEU 17 HD22 LEU 17 39.122 35.151 14.545
136 HD23 LEU 17 HD23 LEU 17 38.983 33.899 15.771
137 H LEU 18 H LEU 18 36.338 33.523 9.942
138 HA LEU 18 HA LEU 18 33.913 35.184 9.794
139 HB2 LEU 18 HB2 LEU 18 35.193 34.208 7.818
140 HB3 LEU 18 HB3 LEU 18 34.579 32.639 8.277
141 HG LEU 18 HG LEU 18 32.231 33.501 7.935
142 HD11 LEU 18 HD11 LEU 18 33.749 35.932 6.883
143 HD12 LEU 18 HD12 LEU 18 32.044 35.590 6.557
144 HD13 LEU 18 HD13 LEU 18 32.569 35.917 8.213
145 HD21 LEU 18 HD21 LEU 18 34.099 33.781 5.551
146 HD22 LEU 18 HD22 LEU 18 33.446 32.252 6.185
147 HD23 LEU 18 HD23 LEU 18 32.350 33.458 5.503
148 H GLY 19 H GLY 19 31.721 33.978 9.776
149 HA2 GLY 19 HA2 GLY 19 31.581 32.097 12.100
150 HA3 GLY 19 HA3 GLY 19 30.423 33.390 11.848
151 H LYS 20 H LYS 20 30.193 30.401 12.001
152 HA LYS 20 HA LYS 20 28.344 29.969 9.671
153 HB2 LYS 20 HB2 LYS 20 30.312 28.030 10.914
154 HB3 LYS 20 HB3 LYS 20 28.945 27.558 9.893
155 HG2 LYS 20 HG2 LYS 20 29.844 29.063 8.069
156 HG3 LYS 20 HG3 LYS 20 31.299 29.332 9.068
157 HD2 LYS 20 HD2 LYS 20 31.648 26.900 9.179
158 HD3 LYS 20 HD3 LYS 20 30.192 26.648 8.175
159 HE2 LYS 20 HE2 LYS 20 31.262 27.972 6.342
160 HE3 LYS 20 HE3 LYS 20 32.721 28.136 7.324
161 HZ1 LYS 20 HZ1 LYS 20 32.976 25.718 7.247
162 HZ2 LYS 20 HZ2 LYS 20 31.596 25.575 6.328
163 HZ3 LYS 20 HZ3 LYS 20 32.925 26.314 5.743
164 H CYS 21 H CYS 21 26.541 28.530 10.210
165 HA CYS 21 HA CYS 21 26.009 28.360 13.155
166 HB2 CYS 21 HB2 CYS 21 24.345 29.660 11.824
167 HB3 CYS 21 HB3 CYS 21 23.920 28.147 10.998
168 H ILE 22 H ILE 22 25.754 26.422 14.107
169 HA ILE 22 HA ILE 22 25.585 23.942 12.451
170 HB ILE 22 HB ILE 22 27.637 24.378 14.651
171 HG12 ILE 22 HG12 ILE 22 27.958 24.048 11.632
172 HG13 ILE 22 HG13 ILE 22 28.317 25.498 12.582
173 HG21 ILE 22 HG21 ILE 22 28.354 22.071 14.168
174 HG22 ILE 22 HG22 ILE 22 26.667 22.052 14.620
175 HG23 ILE 22 HG23 ILE 22 27.113 21.919 12.908
176 HD11 ILE 22 HD11 ILE 22 29.817 22.878 12.650
177 HD12 ILE 22 HD12 ILE 22 30.384 24.459 12.087
178 HD13 ILE 22 HD13 ILE 22 30.066 24.204 13.820
179 H GLY 23 H GLY 23 23.594 23.454 13.024
180 HA2 GLY 23 HA2 GLY 23 21.951 22.366 14.266
181 HA3 GLY 23 HA3 GLY 23 23.074 22.186 15.613
182 H GLU 24 H GLU 24 22.026 25.161 13.989
183 HA GLU 24 HA GLU 24 21.004 27.033 14.644
184 HB2 GLU 24 HB2 GLU 24 19.503 25.390 16.698
185 HB3 GLU 24 HB3 GLU 24 19.178 27.052 16.231
186 HG2 GLU 24 HG2 GLU 24 17.641 25.940 14.993
187 HG3 GLU 24 HG3 GLU 24 18.913 26.251 13.835
188 H LYS 25 H LYS 25 23.623 26.432 15.755
189 HA LYS 25 HA LYS 25 23.602 28.781 17.542
190 HB2 LYS 25 HB2 LYS 25 25.191 27.842 19.146
191 HB3 LYS 25 HB3 LYS 25 23.620 27.046 19.136
192 HG2 LYS 25 HG2 LYS 25 25.169 25.370 19.502
193 HG3 LYS 25 HG3 LYS 25 24.594 25.143 17.874
194 HD2 LYS 25 HD2 LYS 25 26.740 26.051 16.985
195 HD3 LYS 25 HD3 LYS 25 27.259 26.423 18.652
196 HE2 LYS 25 HE2 LYS 25 27.030 23.983 19.187
197 HE3 LYS 25 HE3 LYS 25 26.632 23.661 17.499
198 HZ1 LYS 25 HZ1 LYS 25 28.845 24.301 16.871
199 HZ2 LYS 25 HZ2 LYS 25 29.176 24.922 18.357
200 HZ3 LYS 25 HZ3 LYS 25 28.993 23.313 18.157
201 H CYS 26 H CYS 26 25.474 30.023 17.570
202 HA CYS 26 HA CYS 26 26.836 30.012 14.970
203 HB2 CYS 26 HB2 CYS 26 25.908 32.076 15.873
204 HB3 CYS 26 HB3 CYS 26 26.875 31.904 17.338
205 H GLU 27 H GLU 27 28.879 29.420 14.520
206 HA GLU 27 HA GLU 27 30.942 29.337 16.665
207 HB2 GLU 27 HB2 GLU 27 30.474 27.328 14.426
208 HB3 GLU 27 HB3 GLU 27 31.947 27.394 15.384
209 HG2 GLU 27 HG2 GLU 27 29.183 26.969 16.559
210 HG3 GLU 27 HG3 GLU 27 30.271 25.703 16.060
211 H CYS 28 H CYS 28 33.075 29.522 15.885
212 HA CYS 28 HA CYS 28 33.260 31.287 13.467
213 HB2 CYS 28 HB2 CYS 28 35.038 31.388 15.911
214 HB3 CYS 28 HB3 CYS 28 35.020 32.497 14.540
215 H VAL 29 H VAL 29 34.968 31.029 12.005
216 HA VAL 29 HA VAL 29 36.105 28.306 12.056
217 HB VAL 29 HB VAL 29 36.484 28.572 9.668
218 HG11 VAL 29 HG11 VAL 29 34.503 27.434 10.578
219 HG12 VAL 29 HG12 VAL 29 33.617 28.970 10.694
220 HG13 VAL 29 HG13 VAL 29 34.083 28.311 9.108
221 HG21 VAL 29 HG21 VAL 29 36.395 31.155 9.562
222 HG22 VAL 29 HG22 VAL 29 35.418 30.279 8.385
223 HG23 VAL 29 HG23 VAL 29 34.647 30.989 9.809
224 HA PRO 30 HA PRO 30 40.256 30.090 12.524
225 HB2 PRO 30 HB2 PRO 30 41.500 28.061 13.805
226 HB3 PRO 30 HB3 PRO 30 40.271 29.070 14.612
227 HG2 PRO 30 HG2 PRO 30 39.841 26.370 13.284
228 HG3 PRO 30 HG3 PRO 30 39.382 26.877 14.943
229 HD2 PRO 30 HD2 PRO 30 37.637 26.986 12.840
230 HD3 PRO 30 HD3 PRO 30 37.608 28.182 14.169
231 H TYR 31 H TYR 31 39.335 29.227 10.013
232 HA TYR 31 HA TYR 31 41.187 27.364 8.759
233 HB2 TYR 31 HB2 TYR 31 39.539 29.589 7.510
234 HB3 TYR 31 HB3 TYR 31 40.282 28.232 6.666
235 HD1 TYR 31 HD1 TYR 31 39.268 26.162 8.977
236 HD2 TYR 31 HD2 TYR 31 37.418 29.118 6.445
237 HE1 TYR 31 HE1 TYR 31 37.110 24.956 9.147
238 HE2 TYR 31 HE2 TYR 31 35.273 27.874 6.577
239 HH TYR 31 HH TYR 31 34.832 25.092 8.753
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 15.059 28.759 17.413
2 H2 ALA 1 H2 ALA 1 15.210 27.121 17.478
3 H3 ALA 1 H3 ALA 1 13.752 27.823 17.784
4 HA ALA 1 HA ALA 1 13.765 26.836 15.625
5 HB1 ALA 1 HB1 ALA 1 13.634 29.877 15.546
6 HB2 ALA 1 HB2 ALA 1 13.000 28.771 14.308
7 HB3 ALA 1 HB3 ALA 1 12.313 28.761 15.931
8 H PHE 2 H PHE 2 15.228 29.620 14.158
9 HA PHE 2 HA PHE 2 17.597 27.978 13.397
10 HB2 PHE 2 HB2 PHE 2 16.354 30.170 11.757
11 HB3 PHE 2 HB3 PHE 2 17.509 28.942 11.251
12 HD1 PHE 2 HD1 PHE 2 16.736 26.450 11.314
13 HD2 PHE 2 HD2 PHE 2 14.009 29.759 11.740
14 HE1 PHE 2 HE1 PHE 2 14.808 24.910 11.006
15 HE2 PHE 2 HE2 PHE 2 12.097 28.224 11.515
16 HZ PHE 2 HZ PHE 2 12.483 25.787 11.121
17 H CYS 3 H CYS 3 19.527 29.168 12.691
18 HA CYS 3 HA CYS 3 20.566 30.803 14.790
19 HB2 CYS 3 HB2 CYS 3 22.629 30.627 13.539
20 HB3 CYS 3 HB3 CYS 3 21.784 29.090 13.509
21 H ASN 4 H ASN 4 21.871 32.768 14.474
22 HA ASN 4 HA ASN 4 20.632 34.810 12.659
23 HB2 ASN 4 HB2 ASN 4 21.989 35.341 15.315
24 HB3 ASN 4 HB3 ASN 4 21.018 36.446 14.351
25 HD21 ASN 4 HD21 ASN 4 17.880 34.878 15.320
26 HD22 ASN 4 HD22 ASN 4 18.665 35.648 13.943
27 H LEU 5 H LEU 5 22.068 34.069 10.993
28 HA LEU 5 HA LEU 5 24.880 33.771 11.418
29 HB2 LEU 5 HB2 LEU 5 23.553 32.490 9.867
30 HB3 LEU 5 HB3 LEU 5 23.196 33.907 8.904
31 HG LEU 5 HG LEU 5 24.840 32.291 7.965
32 HD11 LEU 5 HD11 LEU 5 26.046 35.055 8.264
33 HD12 LEU 5 HD12 LEU 5 26.296 33.880 6.969
34 HD13 LEU 5 HD13 LEU 5 24.709 34.639 7.169
35 HD21 LEU 5 HD21 LEU 5 26.082 31.777 10.047
36 HD22 LEU 5 HD22 LEU 5 27.136 32.249 8.706
37 HD23 LEU 5 HD23 LEU 5 26.799 33.402 10.004
38 H ARG 6 H ARG 6 23.057 36.461 9.842
39 HA ARG 6 HA ARG 6 25.343 37.976 9.087
40 HB2 ARG 6 HB2 ARG 6 23.143 38.393 8.204
41 HB3 ARG 6 HB3 ARG 6 22.508 38.854 9.781
42 HG2 ARG 6 HG2 ARG 6 23.660 40.925 9.796
43 HG3 ARG 6 HG3 ARG 6 24.783 40.421 8.526
44 HD2 ARG 6 HD2 ARG 6 22.929 40.336 6.884
45 HD3 ARG 6 HD3 ARG 6 21.797 40.818 8.147
46 HE ARG 6 HE ARG 6 22.441 43.015 7.922
47 HH11 ARG 6 HH11 ARG 6 24.979 41.223 6.227
48 HH12 ARG 6 HH12 ARG 6 25.305 42.620 5.214
49 HH21 ARG 6 HH21 ARG 6 22.994 44.630 6.767
50 HH22 ARG 6 HH22 ARG 6 24.231 44.531 5.517
51 H ARG 7 H ARG 7 23.625 37.972 12.226
52 HA ARG 7 HA ARG 7 25.358 39.972 13.437
53 HB2 ARG 7 HB2 ARG 7 23.042 39.284 14.227
54 HB3 ARG 7 HB3 ARG 7 23.732 37.756 14.776
55 HG2 ARG 7 HG2 ARG 7 25.271 39.041 16.318
56 HG3 ARG 7 HG3 ARG 7 24.521 40.536 15.748
57 HD2 ARG 7 HD2 ARG 7 23.501 40.001 17.827
58 HD3 ARG 7 HD3 ARG 7 22.305 39.675 16.562
59 HE ARG 7 HE ARG 7 23.974 37.403 17.503
60 HH11 ARG 7 HH11 ARG 7 20.965 39.095 18.121
61 HH12 ARG 7 HH12 ARG 7 20.283 37.676 18.901
62 HH21 ARG 7 HH21 ARG 7 23.034 35.729 18.541
63 HH22 ARG 7 HH22 ARG 7 21.353 35.856 19.054
64 H CYS 8 H CYS 8 25.433 36.436 13.298
65 HA CYS 8 HA CYS 8 27.623 36.040 15.106
66 HB2 CYS 8 HB2 CYS 8 26.049 34.312 14.485
67 HB3 CYS 8 HB3 CYS 8 26.492 34.463 12.789
68 H GLU 9 H GLU 9 27.559 36.439 11.534
69 HA GLU 9 HA GLU 9 30.354 36.030 11.048
70 HB2 GLU 9 HB2 GLU 9 28.094 37.422 9.611
71 HB3 GLU 9 HB3 GLU 9 29.735 37.685 9.037
72 HG2 GLU 9 HG2 GLU 9 28.760 34.848 9.469
73 HG3 GLU 9 HG3 GLU 9 28.267 35.756 8.043
74 H LEU 10 H LEU 10 28.549 39.068 11.715
75 HA LEU 10 HA LEU 10 30.880 40.738 11.608
76 HB2 LEU 10 HB2 LEU 10 28.588 41.514 11.189
77 HB3 LEU 10 HB3 LEU 10 28.114 41.088 12.833
78 HG LEU 10 HG LEU 10 29.650 42.797 13.730
79 HD11 LEU 10 HD11 LEU 10 30.607 44.506 12.172
80 HD12 LEU 10 HD12 LEU 10 31.336 42.922 11.916
81 HD13 LEU 10 HD13 LEU 10 30.094 43.520 10.789
82 HD21 LEU 10 HD21 LEU 10 27.282 43.340 13.233
83 HD22 LEU 10 HD22 LEU 10 28.346 44.750 13.073
84 HD23 LEU 10 HD23 LEU 10 27.764 43.909 11.622
85 H SER 11 H SER 11 29.368 38.909 14.225
86 HA SER 11 HA SER 11 30.917 40.064 16.380
87 HB2 SER 11 HB2 SER 11 28.678 39.002 16.614
88 HB3 SER 11 HB3 SER 11 29.402 37.423 16.271
89 HG SER 11 HG SER 11 30.179 37.377 18.246
90 H CYS 12 H CYS 12 31.438 37.219 14.263
91 HA CYS 12 HA CYS 12 33.842 36.353 15.702
92 HB2 CYS 12 HB2 CYS 12 32.746 35.653 12.953
93 HB3 CYS 12 HB3 CYS 12 34.115 34.859 13.734
94 H ARG 13 H ARG 13 33.111 38.558 13.056
95 HA ARG 13 HA ARG 13 35.657 38.782 11.854
96 HB2 ARG 13 HB2 ARG 13 33.328 39.740 11.211
97 HB3 ARG 13 HB3 ARG 13 33.767 41.148 12.160
98 HG2 ARG 13 HG2 ARG 13 35.591 41.656 10.679
99 HG3 ARG 13 HG3 ARG 13 35.542 40.063 9.918
100 HD2 ARG 13 HD2 ARG 13 33.313 42.134 9.727
101 HD3 ARG 13 HD3 ARG 13 34.565 41.872 8.500
102 HE ARG 13 HE ARG 13 33.458 39.360 8.804
103 HH11 ARG 13 HH11 ARG 13 31.953 42.466 7.977
104 HH12 ARG 13 HH12 ARG 13 30.654 41.625 7.155
105 HH21 ARG 13 HH21 ARG 13 31.967 38.506 7.436
106 HH22 ARG 13 HH22 ARG 13 30.627 39.486 6.913
107 H SER 14 H SER 14 34.490 40.379 14.791
108 HA SER 14 HA SER 14 36.714 42.081 15.301
109 HB2 SER 14 HB2 SER 14 34.891 40.699 17.306
110 HB3 SER 14 HB3 SER 14 35.827 42.184 17.572
111 HG SER 14 HG SER 14 34.546 43.255 16.100
112 H LEU 15 H LEU 15 36.663 38.659 15.389
113 HA LEU 15 HA LEU 15 38.967 38.436 17.275
114 HB2 LEU 15 HB2 LEU 15 37.386 36.226 15.945
115 HB3 LEU 15 HB3 LEU 15 38.466 36.092 17.324
116 HG LEU 15 HG LEU 15 35.744 37.460 17.285
117 HD11 LEU 15 HD11 LEU 15 35.010 35.564 18.637
118 HD12 LEU 15 HD12 LEU 15 35.639 35.005 17.080
119 HD13 LEU 15 HD13 LEU 15 36.634 34.835 18.541
120 HD21 LEU 15 HD21 LEU 15 37.246 38.492 18.972
121 HD22 LEU 15 HD22 LEU 15 36.001 37.516 19.759
122 HD23 LEU 15 HD23 LEU 15 37.656 36.885 19.606
123 H GLY 16 H GLY 16 38.107 38.178 13.881
124 HA2 GLY 16 HA2 GLY 16 39.743 38.153 12.094
125 HA3 GLY 16 HA3 GLY 16 40.883 37.303 13.130
126 H LEU 17 H LEU 17 37.475 36.304 13.007
127 HA LEU 17 HA LEU 17 38.048 34.111 11.077
128 HB2 LEU 17 HB2 LEU 17 36.821 32.596 12.747
129 HB3 LEU 17 HB3 LEU 17 38.572 32.774 12.706
130 HG LEU 17 HG LEU 17 36.815 34.124 14.752
131 HD11 LEU 17 HD11 LEU 17 36.735 31.545 14.777
132 HD12 LEU 17 HD12 LEU 17 38.460 31.574 15.107
133 HD13 LEU 17 HD13 LEU 17 37.335 32.299 16.259
134 HD21 LEU 17 HD21 LEU 17 39.098 35.094 14.745
135 HD22 LEU 17 HD22 LEU 17 38.989 34.003 16.115
136 HD23 LEU 17 HD23 LEU 17 39.818 33.487 14.638
137 H LEU 18 H LEU 18 36.265 32.936 10.388
138 HA LEU 18 HA LEU 18 34.048 34.713 9.632
139 HB2 LEU 18 HB2 LEU 18 35.137 33.530 7.926
140 HB3 LEU 18 HB3 LEU 18 35.061 31.999 8.755
141 HG LEU 18 HG LEU 18 32.470 33.289 7.919
142 HD11 LEU 18 HD11 LEU 18 34.353 31.732 6.099
143 HD12 LEU 18 HD12 LEU 18 32.667 32.162 5.724
144 HD13 LEU 18 HD13 LEU 18 33.880 33.436 5.925
145 HD21 LEU 18 HD21 LEU 18 32.496 31.108 9.225
146 HD22 LEU 18 HD22 LEU 18 31.752 30.979 7.625
147 HD23 LEU 18 HD23 LEU 18 33.398 30.379 7.885
148 H GLY 19 H GLY 19 31.830 34.239 9.901
149 HA2 GLY 19 HA2 GLY 19 31.126 32.733 12.377
150 HA3 GLY 19 HA3 GLY 19 30.080 33.839 11.495
151 H LYS 20 H LYS 20 30.268 30.764 12.334
152 HA LYS 20 HA LYS 20 29.271 29.603 9.769
153 HB2 LYS 20 HB2 LYS 20 31.659 29.017 10.640
154 HB3 LYS 20 HB3 LYS 20 30.845 28.125 11.914
155 HG2 LYS 20 HG2 LYS 20 31.442 26.577 10.198
156 HG3 LYS 20 HG3 LYS 20 29.681 26.763 10.098
157 HD2 LYS 20 HD2 LYS 20 29.909 28.267 8.175
158 HD3 LYS 20 HD3 LYS 20 31.671 28.305 8.366
159 HE2 LYS 20 HE2 LYS 20 31.836 25.925 7.823
160 HE3 LYS 20 HE3 LYS 20 30.071 25.791 7.727
161 HZ1 LYS 20 HZ1 LYS 20 31.087 26.062 5.533
162 HZ2 LYS 20 HZ2 LYS 20 30.107 27.352 5.876
163 HZ3 LYS 20 HZ3 LYS 20 31.751 27.490 5.951
164 H CYS 21 H CYS 21 27.202 29.115 9.886
165 HA CYS 21 HA CYS 21 25.877 28.718 12.493
166 HB2 CYS 21 HB2 CYS 21 24.715 30.206 11.174
167 HB3 CYS 21 HB3 CYS 21 24.913 29.262 9.703
168 H ILE 22 H ILE 22 24.997 26.977 13.233
169 HA ILE 22 HA ILE 22 24.674 24.522 11.596
170 HB ILE 22 HB ILE 22 25.719 24.606 14.451
171 HG12 ILE 22 HG12 ILE 22 27.020 23.651 11.851
172 HG13 ILE 22 HG13 ILE 22 27.447 25.118 12.736
173 HG21 ILE 22 HG21 ILE 22 25.701 22.137 14.315
174 HG22 ILE 22 HG22 ILE 22 24.081 22.752 14.074
175 HG23 ILE 22 HG23 ILE 22 25.031 22.213 12.671
176 HD11 ILE 22 HD11 ILE 22 27.843 22.278 13.692
177 HD12 ILE 22 HD12 ILE 22 29.080 23.467 13.254
178 HD13 ILE 22 HD13 ILE 22 28.081 23.727 14.704
179 H GLY 23 H GLY 23 22.645 24.776 11.289
180 HA2 GLY 23 HA2 GLY 23 20.381 24.759 11.449
181 HA3 GLY 23 HA3 GLY 23 20.637 23.921 12.975
182 H GLU 24 H GLU 24 20.734 25.075 14.860
183 HA GLU 24 HA GLU 24 18.873 27.373 14.959
184 HB2 GLU 24 HB2 GLU 24 18.463 25.282 16.133
185 HB3 GLU 24 HB3 GLU 24 19.980 25.452 17.020
186 HG2 GLU 24 HG2 GLU 24 19.157 27.350 18.262
187 HG3 GLU 24 HG3 GLU 24 17.816 27.600 17.134
188 H LYS 25 H LYS 25 22.299 26.927 15.181
189 HA LYS 25 HA LYS 25 22.653 29.513 16.638
190 HB2 LYS 25 HB2 LYS 25 24.142 28.526 18.254
191 HB3 LYS 25 HB3 LYS 25 22.481 27.965 18.381
192 HG2 LYS 25 HG2 LYS 25 23.112 25.836 17.216
193 HG3 LYS 25 HG3 LYS 25 24.800 26.399 17.137
194 HD2 LYS 25 HD2 LYS 25 24.861 26.610 19.573
195 HD3 LYS 25 HD3 LYS 25 23.144 26.167 19.684
196 HE2 LYS 25 HE2 LYS 25 23.670 23.957 18.609
197 HE3 LYS 25 HE3 LYS 25 25.391 24.388 18.628
198 HZ1 LYS 25 HZ1 LYS 25 24.777 22.976 20.509
199 HZ2 LYS 25 HZ2 LYS 25 25.277 24.448 21.051
200 HZ3 LYS 25 HZ3 LYS 25 23.685 24.046 21.042
201 H CYS 26 H CYS 26 25.112 29.972 16.887
202 HA CYS 26 HA CYS 26 26.624 29.162 14.492
203 HB2 CYS 26 HB2 CYS 26 25.005 30.829 13.713
204 HB3 CYS 26 HB3 CYS 26 25.610 31.993 14.884
205 H GLU 27 H GLU 27 28.678 29.130 14.752
206 HA GLU 27 HA GLU 27 30.012 30.544 17.020
207 HB2 GLU 27 HB2 GLU 27 30.593 27.768 15.934
208 HB3 GLU 27 HB3 GLU 27 31.460 28.556 17.249
209 HG2 GLU 27 HG2 GLU 27 28.519 27.749 17.333
210 HG3 GLU 27 HG3 GLU 27 29.859 26.818 17.967
211 H CYS 28 H CYS 28 32.570 30.110 16.524
212 HA CYS 28 HA CYS 28 32.983 31.377 13.858
213 HB2 CYS 28 HB2 CYS 28 34.770 31.658 16.271
214 HB3 CYS 28 HB3 CYS 28 34.792 32.589 14.758
215 H VAL 29 H VAL 29 34.962 30.917 12.708
216 HA VAL 29 HA VAL 29 36.145 28.213 13.256
217 HB VAL 29 HB VAL 29 36.405 28.093 10.751
218 HG11 VAL 29 HG11 VAL 29 33.601 28.046 11.933
219 HG12 VAL 29 HG12 VAL 29 34.108 27.260 10.422
220 HG13 VAL 29 HG13 VAL 29 34.788 26.728 11.960
221 HG21 VAL 29 HG21 VAL 29 35.800 30.562 10.287
222 HG22 VAL 29 HG22 VAL 29 34.971 29.326 9.315
223 HG23 VAL 29 HG23 VAL 29 34.131 30.092 10.657
224 HA PRO 30 HA PRO 30 39.780 30.862 13.306
225 HB2 PRO 30 HB2 PRO 30 41.664 29.142 14.386
226 HB3 PRO 30 HB3 PRO 30 40.357 29.920 15.312
227 HG2 PRO 30 HG2 PRO 30 40.331 27.161 14.064
228 HG3 PRO 30 HG3 PRO 30 39.942 27.604 15.761
229 HD2 PRO 30 HD2 PRO 30 37.990 27.284 13.926
230 HD3 PRO 30 HD3 PRO 30 37.895 28.612 15.111
231 H TYR 31 H TYR 31 39.119 29.359 10.870
232 HA TYR 31 HA TYR 31 41.553 28.691 9.426
233 HB2 TYR 31 HB2 TYR 31 38.852 29.607 8.410
234 HB3 TYR 31 HB3 TYR 31 40.144 28.970 7.415
235 HD1 TYR 31 HD1 TYR 31 41.073 26.558 8.729
236 HD2 TYR 31 HD2 TYR 31 37.064 28.102 8.356
237 HE1 TYR 31 HE1 TYR 31 40.167 24.246 8.881
238 HE2 TYR 31 HE2 TYR 31 36.158 25.792 8.528
239 HH TYR 31 HH TYR 31 36.701 23.533 8.472
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 12.473 27.550 12.370
2 H2 ALA 1 H2 ALA 1 13.467 27.896 13.634
3 H3 ALA 1 H3 ALA 1 14.015 26.940 12.422
4 HA ALA 1 HA ALA 1 13.787 28.779 10.856
5 HB1 ALA 1 HB1 ALA 1 12.087 30.035 12.109
6 HB2 ALA 1 HB2 ALA 1 13.260 30.372 13.403
7 HB3 ALA 1 HB3 ALA 1 13.504 31.049 11.777
8 H PHE 2 H PHE 2 15.696 29.595 10.210
9 HA PHE 2 HA PHE 2 17.988 28.534 11.495
10 HB2 PHE 2 HB2 PHE 2 17.835 30.546 9.239
11 HB3 PHE 2 HB3 PHE 2 19.233 29.565 9.653
12 HD1 PHE 2 HD1 PHE 2 18.830 26.927 9.715
13 HD2 PHE 2 HD2 PHE 2 16.358 29.741 7.583
14 HE1 PHE 2 HE1 PHE 2 17.924 25.082 8.330
15 HE2 PHE 2 HE2 PHE 2 15.420 27.889 6.235
16 HZ PHE 2 HZ PHE 2 16.210 25.559 6.586
17 H CYS 3 H CYS 3 20.027 29.660 11.934
18 HA CYS 3 HA CYS 3 19.842 31.786 13.889
19 HB2 CYS 3 HB2 CYS 3 22.226 31.651 13.894
20 HB3 CYS 3 HB3 CYS 3 21.650 30.001 13.663
21 H ASN 4 H ASN 4 21.093 33.893 13.607
22 HA ASN 4 HA ASN 4 20.774 35.072 10.879
23 HB2 ASN 4 HB2 ASN 4 19.976 36.291 12.950
24 HB3 ASN 4 HB3 ASN 4 21.662 36.506 13.392
25 HD21 ASN 4 HD21 ASN 4 19.971 38.607 10.297
26 HD22 ASN 4 HD22 ASN 4 19.109 37.266 11.077
27 H LEU 5 H LEU 5 22.363 34.154 9.745
28 HA LEU 5 HA LEU 5 24.988 33.584 10.707
29 HB2 LEU 5 HB2 LEU 5 23.899 32.424 8.837
30 HB3 LEU 5 HB3 LEU 5 23.963 33.902 7.866
31 HG LEU 5 HG LEU 5 26.448 33.802 7.901
32 HD11 LEU 5 HD11 LEU 5 27.534 31.677 8.658
33 HD12 LEU 5 HD12 LEU 5 26.905 32.639 9.997
34 HD13 LEU 5 HD13 LEU 5 26.011 31.201 9.437
35 HD21 LEU 5 HD21 LEU 5 25.176 32.701 6.090
36 HD22 LEU 5 HD22 LEU 5 26.667 31.820 6.457
37 HD23 LEU 5 HD23 LEU 5 25.110 31.203 7.042
38 H ARG 6 H ARG 6 23.638 36.499 9.114
39 HA ARG 6 HA ARG 6 26.135 37.888 8.782
40 HB2 ARG 6 HB2 ARG 6 23.317 38.910 9.303
41 HB3 ARG 6 HB3 ARG 6 24.706 39.965 9.048
42 HG2 ARG 6 HG2 ARG 6 25.032 38.621 6.816
43 HG3 ARG 6 HG3 ARG 6 23.374 38.071 7.091
44 HD2 ARG 6 HD2 ARG 6 23.200 40.034 5.711
45 HD3 ARG 6 HD3 ARG 6 22.694 40.517 7.326
46 HE ARG 6 HE ARG 6 24.571 41.912 7.503
47 HH11 ARG 6 HH11 ARG 6 25.117 39.842 4.678
48 HH12 ARG 6 HH12 ARG 6 26.580 40.757 4.290
49 HH21 ARG 6 HH21 ARG 6 26.434 42.865 6.919
50 HH22 ARG 6 HH22 ARG 6 27.277 42.320 5.450
51 H ARG 7 H ARG 7 23.921 37.891 11.677
52 HA ARG 7 HA ARG 7 25.823 39.473 13.213
53 HB2 ARG 7 HB2 ARG 7 23.225 38.123 13.781
54 HB3 ARG 7 HB3 ARG 7 24.330 38.243 15.148
55 HG2 ARG 7 HG2 ARG 7 24.580 40.630 14.870
56 HG3 ARG 7 HG3 ARG 7 23.585 40.633 13.411
57 HD2 ARG 7 HD2 ARG 7 22.469 39.613 16.051
58 HD3 ARG 7 HD3 ARG 7 22.575 41.337 15.722
59 HE ARG 7 HE ARG 7 21.058 41.190 13.931
60 HH11 ARG 7 HH11 ARG 7 21.128 38.115 15.723
61 HH12 ARG 7 HH12 ARG 7 19.615 37.625 15.019
62 HH21 ARG 7 HH21 ARG 7 19.188 40.471 13.107
63 HH22 ARG 7 HH22 ARG 7 18.500 38.960 13.647
64 H CYS 8 H CYS 8 25.523 35.976 12.730
65 HA CYS 8 HA CYS 8 27.479 35.330 14.756
66 HB2 CYS 8 HB2 CYS 8 25.906 33.695 13.788
67 HB3 CYS 8 HB3 CYS 8 26.716 33.839 12.222
68 H GLU 9 H GLU 9 27.821 35.966 11.218
69 HA GLU 9 HA GLU 9 30.670 35.772 11.106
70 HB2 GLU 9 HB2 GLU 9 28.631 37.317 9.469
71 HB3 GLU 9 HB3 GLU 9 30.352 37.302 9.072
72 HG2 GLU 9 HG2 GLU 9 30.377 34.940 8.707
73 HG3 GLU 9 HG3 GLU 9 28.759 34.722 9.344
74 H LEU 10 H LEU 10 28.583 38.556 11.966
75 HA LEU 10 HA LEU 10 30.725 40.421 12.366
76 HB2 LEU 10 HB2 LEU 10 28.431 41.124 12.006
77 HB3 LEU 10 HB3 LEU 10 27.888 40.217 13.416
78 HG LEU 10 HG LEU 10 29.112 41.729 14.910
79 HD11 LEU 10 HD11 LEU 10 30.933 42.484 13.410
80 HD12 LEU 10 HD12 LEU 10 29.742 43.292 12.367
81 HD13 LEU 10 HD13 LEU 10 30.018 43.862 14.028
82 HD21 LEU 10 HD21 LEU 10 27.293 43.165 12.933
83 HD22 LEU 10 HD22 LEU 10 26.755 42.168 14.304
84 HD23 LEU 10 HD23 LEU 10 27.648 43.667 14.598
85 H SER 11 H SER 11 29.086 38.157 14.614
86 HA SER 11 HA SER 11 30.458 38.881 16.995
87 HB2 SER 11 HB2 SER 11 28.462 37.388 16.869
88 HB3 SER 11 HB3 SER 11 29.478 36.121 16.160
89 HG SER 11 HG SER 11 29.487 37.203 18.765
90 H CYS 12 H CYS 12 31.469 36.698 14.344
91 HA CYS 12 HA CYS 12 33.978 36.015 15.702
92 HB2 CYS 12 HB2 CYS 12 33.084 35.447 12.869
93 HB3 CYS 12 HB3 CYS 12 34.427 34.699 13.754
94 H ARG 13 H ARG 13 32.954 38.447 13.372
95 HA ARG 13 HA ARG 13 35.480 39.187 12.275
96 HB2 ARG 13 HB2 ARG 13 33.254 40.028 11.510
97 HB3 ARG 13 HB3 ARG 13 33.110 40.962 12.988
98 HG2 ARG 13 HG2 ARG 13 33.684 42.372 11.157
99 HG3 ARG 13 HG3 ARG 13 34.985 42.373 12.339
100 HD2 ARG 13 HD2 ARG 13 36.385 41.003 10.920
101 HD3 ARG 13 HD3 ARG 13 35.063 40.721 9.786
102 HE ARG 13 HE ARG 13 36.715 43.157 10.049
103 HH11 ARG 13 HH11 ARG 13 33.855 41.857 8.395
104 HH12 ARG 13 HH12 ARG 13 33.588 43.405 7.609
105 HH21 ARG 13 HH21 ARG 13 36.378 44.884 8.862
106 HH22 ARG 13 HH22 ARG 13 35.055 44.953 7.683
107 H SER 14 H SER 14 34.155 39.856 15.460
108 HA SER 14 HA SER 14 36.126 41.669 16.451
109 HB2 SER 14 HB2 SER 14 34.036 41.219 17.599
110 HB3 SER 14 HB3 SER 14 34.467 39.516 17.816
111 HG SER 14 HG SER 14 35.547 40.028 19.498
112 H LEU 15 H LEU 15 36.188 38.107 16.187
113 HA LEU 15 HA LEU 15 38.831 37.805 17.443
114 HB2 LEU 15 HB2 LEU 15 37.124 35.845 15.856
115 HB3 LEU 15 HB3 LEU 15 38.531 35.430 16.814
116 HG LEU 15 HG LEU 15 35.889 36.483 17.869
117 HD11 LEU 15 HD11 LEU 15 37.160 33.723 18.060
118 HD12 LEU 15 HD12 LEU 15 35.595 34.217 18.741
119 HD13 LEU 15 HD13 LEU 15 35.818 34.174 16.985
120 HD21 LEU 15 HD21 LEU 15 37.737 37.157 19.377
121 HD22 LEU 15 HD22 LEU 15 36.808 35.845 20.115
122 HD23 LEU 15 HD23 LEU 15 38.378 35.497 19.358
123 H GLY 16 H GLY 16 37.700 38.669 14.353
124 HA2 GLY 16 HA2 GLY 16 38.908 39.134 12.403
125 HA3 GLY 16 HA3 GLY 16 40.266 38.162 12.979
126 H LEU 17 H LEU 17 37.233 36.494 13.278
127 HA LEU 17 HA LEU 17 37.910 34.817 10.860
128 HB2 LEU 17 HB2 LEU 17 36.136 33.837 13.053
129 HB3 LEU 17 HB3 LEU 17 37.078 32.946 11.896
130 HG LEU 17 HG LEU 17 37.938 34.402 14.319
131 HD11 LEU 17 HD11 LEU 17 38.819 32.171 15.102
132 HD12 LEU 17 HD12 LEU 17 37.082 32.321 14.993
133 HD13 LEU 17 HD13 LEU 17 37.975 31.446 13.723
134 HD21 LEU 17 HD21 LEU 17 39.808 34.577 12.613
135 HD22 LEU 17 HD22 LEU 17 40.289 33.539 13.948
136 HD23 LEU 17 HD23 LEU 17 39.751 32.822 12.410
137 H LEU 18 H LEU 18 36.058 33.564 10.148
138 HA LEU 18 HA LEU 18 33.617 35.237 9.650
139 HB2 LEU 18 HB2 LEU 18 34.918 32.950 8.174
140 HB3 LEU 18 HB3 LEU 18 33.178 33.095 8.094
141 HG LEU 18 HG LEU 18 34.335 34.105 6.182
142 HD11 LEU 18 HD11 LEU 18 32.089 34.878 6.837
143 HD12 LEU 18 HD12 LEU 18 32.823 36.177 7.814
144 HD13 LEU 18 HD13 LEU 18 33.048 36.142 6.058
145 HD21 LEU 18 HD21 LEU 18 35.534 36.191 6.313
146 HD22 LEU 18 HD22 LEU 18 35.305 36.284 8.071
147 HD23 LEU 18 HD23 LEU 18 36.334 35.012 7.365
148 H GLY 19 H GLY 19 31.557 33.946 9.750
149 HA2 GLY 19 HA2 GLY 19 31.515 32.173 12.161
150 HA3 GLY 19 HA3 GLY 19 30.270 33.361 11.818
151 H LYS 20 H LYS 20 29.956 30.569 12.233
152 HA LYS 20 HA LYS 20 28.278 29.807 9.921
153 HB2 LYS 20 HB2 LYS 20 30.402 27.972 11.141
154 HB3 LYS 20 HB3 LYS 20 29.128 27.445 10.035
155 HG2 LYS 20 HG2 LYS 20 31.387 29.349 9.331
156 HG3 LYS 20 HG3 LYS 20 31.287 27.654 8.917
157 HD2 LYS 20 HD2 LYS 20 29.264 28.060 7.548
158 HD3 LYS 20 HD3 LYS 20 29.328 29.792 7.962
159 HE2 LYS 20 HE2 LYS 20 31.710 29.803 7.021
160 HE3 LYS 20 HE3 LYS 20 31.378 28.178 6.396
161 HZ1 LYS 20 HZ1 LYS 20 29.961 30.684 5.700
162 HZ2 LYS 20 HZ2 LYS 20 30.922 29.766 4.703
163 HZ3 LYS 20 HZ3 LYS 20 29.451 29.205 5.216
164 H CYS 21 H CYS 21 26.710 28.110 10.536
165 HA CYS 21 HA CYS 21 26.166 28.145 13.476
166 HB2 CYS 21 HB2 CYS 21 24.264 28.222 11.136
167 HB3 CYS 21 HB3 CYS 21 23.782 28.044 12.822
168 H ILE 22 H ILE 22 25.880 26.357 14.559
169 HA ILE 22 HA ILE 22 25.538 23.721 13.177
170 HB ILE 22 HB ILE 22 26.970 24.165 15.811
171 HG12 ILE 22 HG12 ILE 22 28.361 25.319 14.222
172 HG13 ILE 22 HG13 ILE 22 29.118 23.854 14.808
173 HG21 ILE 22 HG21 ILE 22 26.075 21.935 15.524
174 HG22 ILE 22 HG22 ILE 22 26.805 21.789 13.913
175 HG23 ILE 22 HG23 ILE 22 27.830 21.867 15.358
176 HD11 ILE 22 HD11 ILE 22 27.853 24.215 12.066
177 HD12 ILE 22 HD12 ILE 22 29.576 24.160 12.443
178 HD13 ILE 22 HD13 ILE 22 28.585 22.707 12.663
179 H GLY 23 H GLY 23 23.505 22.932 13.657
180 HA2 GLY 23 HA2 GLY 23 21.514 22.556 14.752
181 HA3 GLY 23 HA3 GLY 23 22.410 22.653 16.273
182 H GLU 24 H GLU 24 21.943 25.165 13.810
183 HA GLU 24 HA GLU 24 21.320 27.316 13.856
184 HB2 GLU 24 HB2 GLU 24 19.260 26.198 15.751
185 HB3 GLU 24 HB3 GLU 24 19.408 27.935 15.578
186 HG2 GLU 24 HG2 GLU 24 17.726 27.145 14.100
187 HG3 GLU 24 HG3 GLU 24 19.066 27.811 13.195
188 H LYS 25 H LYS 25 23.290 26.218 16.194
189 HA LYS 25 HA LYS 25 23.471 28.812 17.644
190 HB2 LYS 25 HB2 LYS 25 24.936 26.195 18.161
191 HB3 LYS 25 HB3 LYS 25 24.964 27.640 19.175
192 HG2 LYS 25 HG2 LYS 25 22.578 25.820 18.649
193 HG3 LYS 25 HG3 LYS 25 23.488 26.005 20.152
194 HD2 LYS 25 HD2 LYS 25 22.809 28.490 20.103
195 HD3 LYS 25 HD3 LYS 25 21.643 28.046 18.840
196 HE2 LYS 25 HE2 LYS 25 20.585 26.429 20.401
197 HE3 LYS 25 HE3 LYS 25 21.756 26.891 21.650
198 HZ1 LYS 25 HZ1 LYS 25 19.762 28.717 20.409
199 HZ2 LYS 25 HZ2 LYS 25 19.729 28.151 21.963
200 HZ3 LYS 25 HZ3 LYS 25 20.897 29.186 21.448
201 H CYS 26 H CYS 26 25.062 30.211 17.456
202 HA CYS 26 HA CYS 26 26.714 30.125 15.107
203 HB2 CYS 26 HB2 CYS 26 25.785 32.186 15.957
204 HB3 CYS 26 HB3 CYS 26 26.615 31.984 17.493
205 H GLU 27 H GLU 27 28.825 29.778 14.734
206 HA GLU 27 HA GLU 27 30.799 29.773 16.890
207 HB2 GLU 27 HB2 GLU 27 31.738 27.724 16.546
208 HB3 GLU 27 HB3 GLU 27 30.023 27.367 16.633
209 HG2 GLU 27 HG2 GLU 27 29.900 26.987 14.245
210 HG3 GLU 27 HG3 GLU 27 31.504 27.667 13.976
211 H CYS 28 H CYS 28 33.057 29.658 15.976
212 HA CYS 28 HA CYS 28 33.150 31.287 13.475
213 HB2 CYS 28 HB2 CYS 28 35.062 31.325 15.818
214 HB3 CYS 28 HB3 CYS 28 35.049 32.406 14.416
215 H VAL 29 H VAL 29 35.243 31.211 12.264
216 HA VAL 29 HA VAL 29 36.174 28.368 12.079
217 HB VAL 29 HB VAL 29 36.320 28.743 9.621
218 HG11 VAL 29 HG11 VAL 29 33.964 28.108 9.281
219 HG12 VAL 29 HG12 VAL 29 34.690 27.261 10.653
220 HG13 VAL 29 HG13 VAL 29 33.584 28.623 10.940
221 HG21 VAL 29 HG21 VAL 29 34.977 30.329 8.509
222 HG22 VAL 29 HG22 VAL 29 34.156 30.817 9.996
223 HG23 VAL 29 HG23 VAL 29 35.843 31.296 9.716
224 HA PRO 30 HA PRO 30 40.162 30.438 12.284
225 HB2 PRO 30 HB2 PRO 30 41.756 28.313 12.902
226 HB3 PRO 30 HB3 PRO 30 40.527 28.935 14.037
227 HG2 PRO 30 HG2 PRO 30 40.232 26.664 12.051
228 HG3 PRO 30 HG3 PRO 30 39.935 26.603 13.823
229 HD2 PRO 30 HD2 PRO 30 37.931 27.039 12.028
230 HD3 PRO 30 HD3 PRO 30 37.954 27.875 13.613
231 H TYR 31 H TYR 31 38.999 29.821 9.756
232 HA TYR 31 HA TYR 31 40.923 28.615 7.897
233 HB2 TYR 31 HB2 TYR 31 38.382 30.208 7.435
234 HB3 TYR 31 HB3 TYR 31 39.255 29.295 6.230
235 HD1 TYR 31 HD1 TYR 31 39.425 26.963 8.777
236 HD2 TYR 31 HD2 TYR 31 36.504 28.972 6.316
237 HE1 TYR 31 HE1 TYR 31 37.807 25.136 9.202
238 HE2 TYR 31 HE2 TYR 31 34.899 27.112 6.713
239 HH TYR 31 HH TYR 31 35.604 24.435 8.961
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 17.068 30.174 19.150
2 H2 ALA 1 H2 ALA 1 15.869 29.146 18.683
3 H3 ALA 1 H3 ALA 1 15.514 30.441 19.631
4 HA ALA 1 HA ALA 1 14.835 30.726 17.318
5 HB1 ALA 1 HB1 ALA 1 16.996 32.654 18.269
6 HB2 ALA 1 HB2 ALA 1 15.745 33.002 17.064
7 HB3 ALA 1 HB3 ALA 1 15.283 32.699 18.751
8 H PHE 2 H PHE 2 15.500 31.047 15.076
9 HA PHE 2 HA PHE 2 17.575 29.300 14.187
10 HB2 PHE 2 HB2 PHE 2 16.375 31.602 12.633
11 HB3 PHE 2 HB3 PHE 2 17.163 30.179 11.975
12 HD1 PHE 2 HD1 PHE 2 14.024 31.612 12.895
13 HD2 PHE 2 HD2 PHE 2 16.093 27.846 12.546
14 HE1 PHE 2 HE1 PHE 2 11.857 30.433 12.820
15 HE2 PHE 2 HE2 PHE 2 13.912 26.668 12.480
16 HZ PHE 2 HZ PHE 2 11.785 27.952 12.574
17 H CYS 3 H CYS 3 19.472 29.794 12.882
18 HA CYS 3 HA CYS 3 21.391 31.452 14.144
19 HB2 CYS 3 HB2 CYS 3 21.214 30.205 11.382
20 HB3 CYS 3 HB3 CYS 3 22.649 31.055 11.947
21 H ASN 4 H ASN 4 21.603 33.612 14.177
22 HA ASN 4 HA ASN 4 20.745 35.303 11.866
23 HB2 ASN 4 HB2 ASN 4 20.145 35.937 14.181
24 HB3 ASN 4 HB3 ASN 4 21.846 36.095 14.588
25 HD21 ASN 4 HD21 ASN 4 20.209 39.380 13.630
26 HD22 ASN 4 HD22 ASN 4 19.803 38.104 14.776
27 H LEU 5 H LEU 5 22.295 34.407 10.473
28 HA LEU 5 HA LEU 5 25.038 34.043 11.123
29 HB2 LEU 5 HB2 LEU 5 23.825 32.920 9.282
30 HB3 LEU 5 HB3 LEU 5 23.779 34.459 8.405
31 HG LEU 5 HG LEU 5 26.259 34.479 8.315
32 HD11 LEU 5 HD11 LEU 5 26.883 33.152 10.267
33 HD12 LEU 5 HD12 LEU 5 26.023 31.728 9.621
34 HD13 LEU 5 HD13 LEU 5 27.480 32.348 8.820
35 HD21 LEU 5 HD21 LEU 5 26.512 32.676 6.671
36 HD22 LEU 5 HD22 LEU 5 25.016 31.908 7.260
37 HD23 LEU 5 HD23 LEU 5 24.963 33.504 6.483
38 H ARG 6 H ARG 6 23.330 36.893 9.799
39 HA ARG 6 HA ARG 6 25.671 38.529 9.395
40 HB2 ARG 6 HB2 ARG 6 22.721 39.016 9.774
41 HB3 ARG 6 HB3 ARG 6 23.811 40.364 10.053
42 HG2 ARG 6 HG2 ARG 6 22.978 40.407 7.799
43 HG3 ARG 6 HG3 ARG 6 24.726 40.236 7.832
44 HD2 ARG 6 HD2 ARG 6 22.899 37.844 7.412
45 HD3 ARG 6 HD3 ARG 6 23.360 38.919 6.092
46 HE ARG 6 HE ARG 6 25.769 38.192 7.319
47 HH11 ARG 6 HH11 ARG 6 23.267 36.644 5.368
48 HH12 ARG 6 HH12 ARG 6 24.431 35.487 4.740
49 HH21 ARG 6 HH21 ARG 6 27.147 36.620 6.379
50 HH22 ARG 6 HH22 ARG 6 26.413 35.462 5.287
51 H ARG 7 H ARG 7 23.664 38.159 12.425
52 HA ARG 7 HA ARG 7 25.557 39.882 13.860
53 HB2 ARG 7 HB2 ARG 7 23.403 37.937 14.788
54 HB3 ARG 7 HB3 ARG 7 24.438 38.766 15.933
55 HG2 ARG 7 HG2 ARG 7 22.753 40.271 13.892
56 HG3 ARG 7 HG3 ARG 7 22.179 39.843 15.512
57 HD2 ARG 7 HD2 ARG 7 23.934 41.135 16.572
58 HD3 ARG 7 HD3 ARG 7 24.684 41.491 15.006
59 HE ARG 7 HE ARG 7 22.050 42.429 14.802
60 HH11 ARG 7 HH11 ARG 7 24.710 43.202 16.989
61 HH12 ARG 7 HH12 ARG 7 24.291 44.906 16.942
62 HH21 ARG 7 HH21 ARG 7 21.698 44.689 14.818
63 HH22 ARG 7 HH22 ARG 7 22.635 45.627 15.966
64 H CYS 8 H CYS 8 25.422 36.389 13.335
65 HA CYS 8 HA CYS 8 27.530 35.725 15.155
66 HB2 CYS 8 HB2 CYS 8 25.901 34.174 14.194
67 HB3 CYS 8 HB3 CYS 8 26.520 34.491 12.575
68 H GLU 9 H GLU 9 27.638 36.469 11.619
69 HA GLU 9 HA GLU 9 30.462 36.063 11.349
70 HB2 GLU 9 HB2 GLU 9 28.387 37.590 9.712
71 HB3 GLU 9 HB3 GLU 9 30.110 37.652 9.322
72 HG2 GLU 9 HG2 GLU 9 30.112 35.100 9.325
73 HG3 GLU 9 HG3 GLU 9 28.359 35.183 9.301
74 H LEU 10 H LEU 10 28.519 39.005 12.003
75 HA LEU 10 HA LEU 10 30.600 40.905 12.154
76 HB2 LEU 10 HB2 LEU 10 28.249 41.518 12.137
77 HB3 LEU 10 HB3 LEU 10 27.928 40.519 13.544
78 HG LEU 10 HG LEU 10 29.305 42.089 14.950
79 HD11 LEU 10 HD11 LEU 10 29.108 43.858 12.471
80 HD12 LEU 10 HD12 LEU 10 29.692 44.351 14.067
81 HD13 LEU 10 HD13 LEU 10 30.613 43.166 13.133
82 HD21 LEU 10 HD21 LEU 10 26.890 43.229 13.498
83 HD22 LEU 10 HD22 LEU 10 26.862 42.129 14.899
84 HD23 LEU 10 HD23 LEU 10 27.518 43.754 15.074
85 H SER 11 H SER 11 29.385 38.700 14.688
86 HA SER 11 HA SER 11 31.157 39.663 16.739
87 HB2 SER 11 HB2 SER 11 29.019 38.327 17.044
88 HB3 SER 11 HB3 SER 11 29.934 36.890 16.553
89 HG SER 11 HG SER 11 30.381 38.639 18.750
90 H CYS 12 H CYS 12 31.498 37.023 14.312
91 HA CYS 12 HA CYS 12 34.016 36.076 15.438
92 HB2 CYS 12 HB2 CYS 12 32.834 35.595 12.683
93 HB3 CYS 12 HB3 CYS 12 34.099 34.656 13.466
94 H ARG 13 H ARG 13 33.096 38.356 12.921
95 HA ARG 13 HA ARG 13 35.710 38.919 11.839
96 HB2 ARG 13 HB2 ARG 13 33.585 39.465 10.717
97 HB3 ARG 13 HB3 ARG 13 33.211 40.663 11.967
98 HG2 ARG 13 HG2 ARG 13 35.075 42.059 11.250
99 HG3 ARG 13 HG3 ARG 13 35.691 40.775 10.206
100 HD2 ARG 13 HD2 ARG 13 34.594 42.502 8.885
101 HD3 ARG 13 HD3 ARG 13 33.786 40.945 8.726
102 HE ARG 13 HE ARG 13 32.801 43.214 10.470
103 HH11 ARG 13 HH11 ARG 13 31.874 40.733 8.074
104 HH12 ARG 13 HH12 ARG 13 30.192 40.970 8.530
105 HH21 ARG 13 HH21 ARG 13 30.712 43.477 10.693
106 HH22 ARG 13 HH22 ARG 13 29.563 42.420 9.830
107 H SER 14 H SER 14 34.105 40.126 14.783
108 HA SER 14 HA SER 14 36.011 42.189 15.337
109 HB2 SER 14 HB2 SER 14 35.232 42.215 17.540
110 HB3 SER 14 HB3 SER 14 33.824 41.806 16.556
111 HG SER 14 HG SER 14 34.107 39.604 17.202
112 H LEU 15 H LEU 15 36.231 38.700 15.707
113 HA LEU 15 HA LEU 15 38.772 38.781 17.179
114 HB2 LEU 15 HB2 LEU 15 37.451 36.372 15.903
115 HB3 LEU 15 HB3 LEU 15 38.601 36.407 17.234
116 HG LEU 15 HG LEU 15 35.699 37.326 17.296
117 HD11 LEU 15 HD11 LEU 15 35.966 34.894 17.159
118 HD12 LEU 15 HD12 LEU 15 37.062 34.920 18.562
119 HD13 LEU 15 HD13 LEU 15 35.358 35.381 18.749
120 HD21 LEU 15 HD21 LEU 15 36.015 37.496 19.763
121 HD22 LEU 15 HD22 LEU 15 37.747 37.166 19.565
122 HD23 LEU 15 HD23 LEU 15 37.031 38.657 18.907
123 H GLY 16 H GLY 16 37.657 37.939 13.890
124 HA2 GLY 16 HA2 GLY 16 39.191 38.533 11.997
125 HA3 GLY 16 HA3 GLY 16 40.506 37.802 12.912
126 H LEU 17 H LEU 17 37.432 36.151 13.027
127 HA LEU 17 HA LEU 17 38.269 34.143 10.964
128 HB2 LEU 17 HB2 LEU 17 37.205 32.452 12.586
129 HB3 LEU 17 HB3 LEU 17 38.895 32.877 12.716
130 HG LEU 17 HG LEU 17 36.865 34.286 14.471
131 HD11 LEU 17 HD11 LEU 17 37.048 32.594 16.155
132 HD12 LEU 17 HD12 LEU 17 36.592 31.752 14.657
133 HD13 LEU 17 HD13 LEU 17 38.257 31.706 15.223
134 HD21 LEU 17 HD21 LEU 17 38.811 34.255 16.082
135 HD22 LEU 17 HD22 LEU 17 39.801 33.474 14.844
136 HD23 LEU 17 HD23 LEU 17 39.222 35.126 14.600
137 H LEU 18 H LEU 18 36.464 32.728 10.283
138 HA LEU 18 HA LEU 18 34.196 34.466 9.562
139 HB2 LEU 18 HB2 LEU 18 35.252 33.314 7.824
140 HB3 LEU 18 HB3 LEU 18 35.216 31.771 8.626
141 HG LEU 18 HG LEU 18 32.561 33.054 7.976
142 HD11 LEU 18 HD11 LEU 18 33.848 33.384 5.913
143 HD12 LEU 18 HD12 LEU 18 34.343 31.673 5.921
144 HD13 LEU 18 HD13 LEU 18 32.635 32.122 5.697
145 HD21 LEU 18 HD21 LEU 18 32.672 30.830 9.135
146 HD22 LEU 18 HD22 LEU 18 31.916 30.727 7.544
147 HD23 LEU 18 HD23 LEU 18 33.589 30.178 7.760
148 H GLY 19 H GLY 19 31.990 33.929 9.889
149 HA2 GLY 19 HA2 GLY 19 31.386 32.173 12.242
150 HA3 GLY 19 HA3 GLY 19 30.397 33.531 11.714
151 H LYS 20 H LYS 20 29.921 30.546 12.059
152 HA LYS 20 HA LYS 20 28.314 30.114 9.625
153 HB2 LYS 20 HB2 LYS 20 29.236 27.931 9.108
154 HB3 LYS 20 HB3 LYS 20 30.365 29.246 8.877
155 HG2 LYS 20 HG2 LYS 20 31.692 27.614 9.788
156 HG3 LYS 20 HG3 LYS 20 31.361 28.631 11.186
157 HD2 LYS 20 HD2 LYS 20 29.661 27.017 11.971
158 HD3 LYS 20 HD3 LYS 20 29.883 26.061 10.495
159 HE2 LYS 20 HE2 LYS 20 32.306 25.771 11.118
160 HE3 LYS 20 HE3 LYS 20 31.992 26.630 12.630
161 HZ1 LYS 20 HZ1 LYS 20 31.932 24.280 12.989
162 HZ2 LYS 20 HZ2 LYS 20 30.453 24.848 13.254
163 HZ3 LYS 20 HZ3 LYS 20 30.743 24.048 11.842
164 H CYS 21 H CYS 21 26.659 28.624 9.740
165 HA CYS 21 HA CYS 21 25.575 28.458 12.461
166 HB2 CYS 21 HB2 CYS 21 24.285 29.351 10.572
167 HB3 CYS 21 HB3 CYS 21 24.429 27.808 9.746
168 H ILE 22 H ILE 22 25.180 26.658 13.672
169 HA ILE 22 HA ILE 22 25.629 23.957 12.457
170 HB ILE 22 HB ILE 22 27.211 24.305 14.168
171 HG12 ILE 22 HG12 ILE 22 25.051 22.510 15.343
172 HG13 ILE 22 HG13 ILE 22 26.033 22.079 13.937
173 HG21 ILE 22 HG21 ILE 22 26.602 24.741 16.541
174 HG22 ILE 22 HG22 ILE 22 26.228 26.077 15.481
175 HG23 ILE 22 HG23 ILE 22 24.916 25.002 16.041
176 HD11 ILE 22 HD11 ILE 22 26.987 21.047 15.884
177 HD12 ILE 22 HD12 ILE 22 28.088 22.322 15.331
178 HD13 ILE 22 HD13 ILE 22 27.063 22.582 16.755
179 H GLY 23 H GLY 23 23.296 26.076 13.853
180 HA2 GLY 23 HA2 GLY 23 21.046 25.556 12.835
181 HA3 GLY 23 HA3 GLY 23 21.155 23.975 13.603
182 H GLU 24 H GLU 24 19.942 27.057 13.927
183 HA GLU 24 HA GLU 24 19.265 28.448 15.551
184 HB2 GLU 24 HB2 GLU 24 18.567 25.840 16.897
185 HB3 GLU 24 HB3 GLU 24 17.954 27.402 17.421
186 HG2 GLU 24 HG2 GLU 24 16.565 27.651 15.570
187 HG3 GLU 24 HG3 GLU 24 17.564 26.661 14.517
188 H LYS 25 H LYS 25 21.981 27.743 15.546
189 HA LYS 25 HA LYS 25 23.076 29.233 17.747
190 HB2 LYS 25 HB2 LYS 25 22.994 27.180 19.003
191 HB3 LYS 25 HB3 LYS 25 23.444 26.217 17.609
192 HG2 LYS 25 HG2 LYS 25 25.256 26.253 19.144
193 HG3 LYS 25 HG3 LYS 25 25.743 27.103 17.686
194 HD2 LYS 25 HD2 LYS 25 25.239 29.284 18.956
195 HD3 LYS 25 HD3 LYS 25 25.090 28.297 20.412
196 HE2 LYS 25 HE2 LYS 25 27.538 28.393 18.575
197 HE3 LYS 25 HE3 LYS 25 27.366 29.337 20.051
198 HZ1 LYS 25 HZ1 LYS 25 27.387 26.358 20.002
199 HZ2 LYS 25 HZ2 LYS 25 28.657 27.317 20.413
200 HZ3 LYS 25 HZ3 LYS 25 27.323 27.325 21.340
201 H CYS 26 H CYS 26 24.803 30.268 16.866
202 HA CYS 26 HA CYS 26 26.170 29.080 14.479
203 HB2 CYS 26 HB2 CYS 26 24.648 30.956 13.964
204 HB3 CYS 26 HB3 CYS 26 25.570 31.991 15.034
205 H GLU 27 H GLU 27 28.413 29.505 14.224
206 HA GLU 27 HA GLU 27 29.922 30.277 16.640
207 HB2 GLU 27 HB2 GLU 27 31.000 28.103 16.821
208 HB3 GLU 27 HB3 GLU 27 29.256 27.974 17.064
209 HG2 GLU 27 HG2 GLU 27 29.044 27.209 14.666
210 HG3 GLU 27 HG3 GLU 27 30.806 27.225 14.549
211 H CYS 28 H CYS 28 32.181 30.377 16.384
212 HA CYS 28 HA CYS 28 32.899 31.305 13.693
213 HB2 CYS 28 HB2 CYS 28 34.435 31.676 16.269
214 HB3 CYS 28 HB3 CYS 28 34.608 32.572 14.756
215 H VAL 29 H VAL 29 34.863 30.762 12.650
216 HA VAL 29 HA VAL 29 35.913 28.072 13.366
217 HB VAL 29 HB VAL 29 36.532 27.882 10.997
218 HG11 VAL 29 HG11 VAL 29 34.191 27.359 10.359
219 HG12 VAL 29 HG12 VAL 29 34.559 26.832 12.012
220 HG13 VAL 29 HG13 VAL 29 33.609 28.304 11.757
221 HG21 VAL 29 HG21 VAL 29 35.602 29.251 9.317
222 HG22 VAL 29 HG22 VAL 29 34.581 30.129 10.454
223 HG23 VAL 29 HG23 VAL 29 36.328 30.423 10.432
224 HA PRO 30 HA PRO 30 39.740 30.426 14.142
225 HB2 PRO 30 HB2 PRO 30 40.720 28.988 16.261
226 HB3 PRO 30 HB3 PRO 30 39.311 30.060 16.437
227 HG2 PRO 30 HG2 PRO 30 39.294 27.071 15.879
228 HG3 PRO 30 HG3 PRO 30 38.453 27.946 17.203
229 HD2 PRO 30 HD2 PRO 30 37.183 27.329 14.894
230 HD3 PRO 30 HD3 PRO 30 36.893 28.895 15.715
231 H TYR 31 H TYR 31 39.449 28.526 12.017
232 HA TYR 31 HA TYR 31 41.561 26.523 12.125
233 HB2 TYR 31 HB2 TYR 31 39.962 27.452 9.728
234 HB3 TYR 31 HB3 TYR 31 40.848 25.957 9.878
235 HD1 TYR 31 HD1 TYR 31 38.081 26.074 8.910
236 HD2 TYR 31 HD2 TYR 31 39.560 25.610 12.934
237 HE1 TYR 31 HE1 TYR 31 35.968 24.949 9.553
238 HE2 TYR 31 HE2 TYR 31 37.424 24.508 13.578
239 HH TYR 31 HH TYR 31 34.739 24.012 11.250
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 14.366 26.807 14.929
2 H2 ALA 1 H2 ALA 1 15.464 27.816 15.617
3 H3 ALA 1 H3 ALA 1 15.959 26.371 14.980
4 HA ALA 1 HA ALA 1 15.348 27.072 12.784
5 HB1 ALA 1 HB1 ALA 1 14.762 29.431 12.371
6 HB2 ALA 1 HB2 ALA 1 13.560 28.657 13.421
7 HB3 ALA 1 HB3 ALA 1 14.771 29.757 14.112
8 H PHE 2 H PHE 2 17.054 27.742 11.460
9 HA PHE 2 HA PHE 2 19.580 27.703 12.699
10 HB2 PHE 2 HB2 PHE 2 18.877 28.598 9.887
11 HB3 PHE 2 HB3 PHE 2 20.498 28.225 10.458
12 HD1 PHE 2 HD1 PHE 2 17.311 26.829 9.320
13 HD2 PHE 2 HD2 PHE 2 21.143 25.883 11.050
14 HE1 PHE 2 HE1 PHE 2 16.948 24.439 8.802
15 HE2 PHE 2 HE2 PHE 2 20.795 23.489 10.494
16 HZ PHE 2 HZ PHE 2 18.696 22.762 9.364
17 H CYS 3 H CYS 3 21.098 29.127 13.213
18 HA CYS 3 HA CYS 3 20.430 31.483 14.306
19 HB2 CYS 3 HB2 CYS 3 22.582 31.600 15.006
20 HB3 CYS 3 HB3 CYS 3 22.526 29.939 14.495
21 H ASN 4 H ASN 4 21.132 33.677 14.114
22 HA ASN 4 HA ASN 4 20.669 34.986 11.550
23 HB2 ASN 4 HB2 ASN 4 21.575 35.871 14.309
24 HB3 ASN 4 HB3 ASN 4 21.515 36.980 12.947
25 HD21 ASN 4 HD21 ASN 4 17.726 35.784 13.678
26 HD22 ASN 4 HD22 ASN 4 18.890 34.539 13.298
27 H LEU 5 H LEU 5 22.178 34.329 10.052
28 HA LEU 5 HA LEU 5 24.868 33.730 10.692
29 HB2 LEU 5 HB2 LEU 5 23.617 32.726 8.836
30 HB3 LEU 5 HB3 LEU 5 23.587 34.272 7.990
31 HG LEU 5 HG LEU 5 26.093 34.220 7.851
32 HD11 LEU 5 HD11 LEU 5 27.214 32.019 8.288
33 HD12 LEU 5 HD12 LEU 5 26.662 32.798 9.765
34 HD13 LEU 5 HD13 LEU 5 25.732 31.440 9.074
35 HD21 LEU 5 HD21 LEU 5 24.680 33.361 6.019
36 HD22 LEU 5 HD22 LEU 5 26.206 32.475 6.145
37 HD23 LEU 5 HD23 LEU 5 24.704 31.747 6.767
38 H ARG 6 H ARG 6 23.561 36.675 9.049
39 HA ARG 6 HA ARG 6 26.113 37.870 8.610
40 HB2 ARG 6 HB2 ARG 6 23.888 38.577 7.585
41 HB3 ARG 6 HB3 ARG 6 23.515 39.392 9.104
42 HG2 ARG 6 HG2 ARG 6 25.549 40.813 8.836
43 HG3 ARG 6 HG3 ARG 6 25.898 39.988 7.311
44 HD2 ARG 6 HD2 ARG 6 24.846 42.057 6.753
45 HD3 ARG 6 HD3 ARG 6 23.681 40.779 6.428
46 HE ARG 6 HE ARG 6 22.294 41.589 8.126
47 HH11 ARG 6 HH11 ARG 6 25.387 43.305 8.448
48 HH12 ARG 6 HH12 ARG 6 24.627 44.513 9.481
49 HH21 ARG 6 HH21 ARG 6 21.484 43.345 9.369
50 HH22 ARG 6 HH22 ARG 6 22.672 44.466 10.018
51 H ARG 7 H ARG 7 23.989 38.013 11.445
52 HA ARG 7 HA ARG 7 25.785 39.717 13.005
53 HB2 ARG 7 HB2 ARG 7 23.384 38.021 13.786
54 HB3 ARG 7 HB3 ARG 7 24.314 38.993 14.922
55 HG2 ARG 7 HG2 ARG 7 23.879 41.020 13.485
56 HG3 ARG 7 HG3 ARG 7 22.764 40.045 12.520
57 HD2 ARG 7 HD2 ARG 7 21.370 39.625 14.506
58 HD3 ARG 7 HD3 ARG 7 22.502 40.512 15.530
59 HE ARG 7 HE ARG 7 20.445 41.642 13.803
60 HH11 ARG 7 HH11 ARG 7 23.488 42.516 15.396
61 HH12 ARG 7 HH12 ARG 7 23.145 44.221 15.141
62 HH21 ARG 7 HH21 ARG 7 20.132 43.716 13.626
63 HH22 ARG 7 HH22 ARG 7 21.318 44.887 14.211
64 H CYS 8 H CYS 8 25.408 36.165 12.759
65 HA CYS 8 HA CYS 8 27.326 35.523 14.792
66 HB2 CYS 8 HB2 CYS 8 25.774 33.898 13.887
67 HB3 CYS 8 HB3 CYS 8 26.439 34.088 12.271
68 H GLU 9 H GLU 9 27.756 36.032 11.253
69 HA GLU 9 HA GLU 9 30.599 35.810 11.129
70 HB2 GLU 9 HB2 GLU 9 28.603 37.452 9.524
71 HB3 GLU 9 HB3 GLU 9 30.315 37.340 9.111
72 HG2 GLU 9 HG2 GLU 9 30.166 34.957 8.729
73 HG3 GLU 9 HG3 GLU 9 28.508 34.895 9.300
74 H LEU 10 H LEU 10 28.546 38.698 11.759
75 HA LEU 10 HA LEU 10 30.669 40.540 12.089
76 HB2 LEU 10 HB2 LEU 10 28.375 41.146 11.558
77 HB3 LEU 10 HB3 LEU 10 27.806 40.453 13.075
78 HG LEU 10 HG LEU 10 28.924 42.189 14.348
79 HD11 LEU 10 HD11 LEU 10 29.821 44.210 13.175
80 HD12 LEU 10 HD12 LEU 10 30.803 42.781 12.855
81 HD13 LEU 10 HD13 LEU 10 29.661 43.369 11.622
82 HD21 LEU 10 HD21 LEU 10 27.450 44.049 13.665
83 HD22 LEU 10 HD22 LEU 10 27.158 43.255 12.104
84 HD23 LEU 10 HD23 LEU 10 26.599 42.501 13.619
85 H SER 11 H SER 11 29.329 38.262 14.471
86 HA SER 11 HA SER 11 30.850 39.462 16.684
87 HB2 SER 11 HB2 SER 11 28.780 38.090 17.049
88 HB3 SER 11 HB3 SER 11 29.702 36.657 16.554
89 HG SER 11 HG SER 11 30.055 36.689 18.697
90 H CYS 12 H CYS 12 31.380 36.757 14.368
91 HA CYS 12 HA CYS 12 33.835 35.851 15.632
92 HB2 CYS 12 HB2 CYS 12 32.740 35.459 12.827
93 HB3 CYS 12 HB3 CYS 12 34.101 34.580 13.518
94 H ARG 13 H ARG 13 33.034 38.171 13.125
95 HA ARG 13 HA ARG 13 35.566 38.977 12.154
96 HB2 ARG 13 HB2 ARG 13 33.532 39.787 11.189
97 HB3 ARG 13 HB3 ARG 13 32.967 40.446 12.717
98 HG2 ARG 13 HG2 ARG 13 34.544 42.223 12.690
99 HG3 ARG 13 HG3 ARG 13 35.429 41.531 11.319
100 HD2 ARG 13 HD2 ARG 13 33.498 41.862 9.863
101 HD3 ARG 13 HD3 ARG 13 32.524 42.462 11.222
102 HE ARG 13 HE ARG 13 34.680 44.138 11.275
103 HH11 ARG 13 HH11 ARG 13 32.434 43.336 8.684
104 HH12 ARG 13 HH12 ARG 13 32.885 44.772 7.776
105 HH21 ARG 13 HH21 ARG 13 35.107 45.948 10.116
106 HH22 ARG 13 HH22 ARG 13 34.168 46.336 8.702
107 H SER 14 H SER 14 33.997 39.940 15.221
108 HA SER 14 HA SER 14 36.027 41.752 16.039
109 HB2 SER 14 HB2 SER 14 34.297 40.048 17.854
110 HB3 SER 14 HB3 SER 14 35.039 41.614 18.228
111 HG SER 14 HG SER 14 32.727 41.575 17.577
112 H LEU 15 H LEU 15 36.089 38.267 15.964
113 HA LEU 15 HA LEU 15 38.468 38.096 17.733
114 HB2 LEU 15 HB2 LEU 15 37.189 35.862 16.148
115 HB3 LEU 15 HB3 LEU 15 38.247 35.740 17.546
116 HG LEU 15 HG LEU 15 35.366 36.721 17.522
117 HD11 LEU 15 HD11 LEU 15 34.900 34.647 18.742
118 HD12 LEU 15 HD12 LEU 15 35.628 34.300 17.165
119 HD13 LEU 15 HD13 LEU 15 36.611 34.179 18.640
120 HD21 LEU 15 HD21 LEU 15 36.645 37.853 19.332
121 HD22 LEU 15 HD22 LEU 15 35.522 36.664 20.000
122 HD23 LEU 15 HD23 LEU 15 37.255 36.280 19.888
123 H GLY 16 H GLY 16 37.614 38.156 14.337
124 HA2 GLY 16 HA2 GLY 16 39.179 38.734 12.613
125 HA3 GLY 16 HA3 GLY 16 40.473 37.924 13.475
126 H LEU 17 H LEU 17 37.334 36.396 13.201
127 HA LEU 17 HA LEU 17 38.103 34.661 10.897
128 HB2 LEU 17 HB2 LEU 17 36.971 32.811 12.304
129 HB3 LEU 17 HB3 LEU 17 38.702 33.088 12.289
130 HG LEU 17 HG LEU 17 36.899 34.039 14.529
131 HD11 LEU 17 HD11 LEU 17 37.575 32.021 15.733
132 HD12 LEU 17 HD12 LEU 17 36.854 31.526 14.197
133 HD13 LEU 17 HD13 LEU 17 38.608 31.512 14.384
134 HD21 LEU 17 HD21 LEU 17 39.152 35.105 14.633
135 HD22 LEU 17 HD22 LEU 17 39.049 33.865 15.868
136 HD23 LEU 17 HD23 LEU 17 39.927 33.539 14.363
137 H LEU 18 H LEU 18 36.269 33.402 10.106
138 HA LEU 18 HA LEU 18 33.929 35.209 9.856
139 HB2 LEU 18 HB2 LEU 18 35.267 34.386 7.893
140 HB3 LEU 18 HB3 LEU 18 34.688 32.766 8.219
141 HG LEU 18 HG LEU 18 32.374 33.475 7.711
142 HD11 LEU 18 HD11 LEU 18 32.453 35.868 8.381
143 HD12 LEU 18 HD12 LEU 18 33.642 36.191 7.104
144 HD13 LEU 18 HD13 LEU 18 31.984 35.710 6.690
145 HD21 LEU 18 HD21 LEU 18 34.475 34.286 5.649
146 HD22 LEU 18 HD22 LEU 18 33.873 32.642 5.937
147 HD23 LEU 18 HD23 LEU 18 32.792 33.885 5.294
148 H GLY 19 H GLY 19 31.713 33.850 9.606
149 HA2 GLY 19 HA2 GLY 19 31.540 31.990 11.953
150 HA3 GLY 19 HA3 GLY 19 30.443 33.342 11.761
151 H LYS 20 H LYS 20 29.897 30.504 11.996
152 HA LYS 20 HA LYS 20 27.999 30.223 9.745
153 HB2 LYS 20 HB2 LYS 20 28.569 27.963 9.242
154 HB3 LYS 20 HB3 LYS 20 29.982 28.986 9.021
155 HG2 LYS 20 HG2 LYS 20 30.985 27.218 10.094
156 HG3 LYS 20 HG3 LYS 20 30.553 28.169 11.505
157 HD2 LYS 20 HD2 LYS 20 29.829 25.982 12.029
158 HD3 LYS 20 HD3 LYS 20 28.372 26.847 11.562
159 HE2 LYS 20 HE2 LYS 20 28.197 24.701 10.612
160 HE3 LYS 20 HE3 LYS 20 28.491 25.825 9.279
161 HZ1 LYS 20 HZ1 LYS 20 30.574 24.155 10.580
162 HZ2 LYS 20 HZ2 LYS 20 29.790 23.736 9.230
163 HZ3 LYS 20 HZ3 LYS 20 30.771 25.066 9.193
164 H CYS 21 H CYS 21 26.192 28.821 10.165
165 HA CYS 21 HA CYS 21 25.568 28.636 13.064
166 HB2 CYS 21 HB2 CYS 21 23.795 28.070 10.684
167 HB3 CYS 21 HB3 CYS 21 23.304 28.245 12.364
168 H ILE 22 H ILE 22 25.706 26.766 14.152
169 HA ILE 22 HA ILE 22 26.000 24.124 12.804
170 HB ILE 22 HB ILE 22 26.150 25.190 15.633
171 HG12 ILE 22 HG12 ILE 22 28.045 23.534 13.933
172 HG13 ILE 22 HG13 ILE 22 28.110 25.285 14.093
173 HG21 ILE 22 HG21 ILE 22 26.031 22.232 14.933
174 HG22 ILE 22 HG22 ILE 22 26.474 22.899 16.515
175 HG23 ILE 22 HG23 ILE 22 24.846 23.125 15.913
176 HD11 ILE 22 HD11 ILE 22 28.650 23.263 16.304
177 HD12 ILE 22 HD12 ILE 22 29.799 24.343 15.515
178 HD13 ILE 22 HD13 ILE 22 28.531 25.023 16.553
179 H GLY 23 H GLY 23 23.637 26.151 14.247
180 HA2 GLY 23 HA2 GLY 23 21.250 24.956 13.354
181 HA3 GLY 23 HA3 GLY 23 21.568 24.384 15.013
182 H GLU 24 H GLU 24 20.744 25.685 16.563
183 HA GLU 24 HA GLU 24 20.225 28.566 16.165
184 HB2 GLU 24 HB2 GLU 24 20.263 26.843 18.679
185 HB3 GLU 24 HB3 GLU 24 19.751 28.534 18.592
186 HG2 GLU 24 HG2 GLU 24 17.900 27.901 17.065
187 HG3 GLU 24 HG3 GLU 24 18.401 26.210 17.154
188 H LYS 25 H LYS 25 22.797 26.475 17.297
189 HA LYS 25 HA LYS 25 24.457 28.370 18.682
190 HB2 LYS 25 HB2 LYS 25 24.518 25.967 19.082
191 HB3 LYS 25 HB3 LYS 25 24.885 25.659 17.400
192 HG2 LYS 25 HG2 LYS 25 26.874 25.272 18.477
193 HG3 LYS 25 HG3 LYS 25 27.131 26.863 17.774
194 HD2 LYS 25 HD2 LYS 25 26.805 27.916 19.976
195 HD3 LYS 25 HD3 LYS 25 26.286 26.361 20.664
196 HE2 LYS 25 HE2 LYS 25 28.573 25.441 19.919
197 HE3 LYS 25 HE3 LYS 25 29.063 27.115 19.642
198 HZ1 LYS 25 HZ1 LYS 25 28.069 26.054 22.238
199 HZ2 LYS 25 HZ2 LYS 25 29.665 26.233 21.851
200 HZ3 LYS 25 HZ3 LYS 25 28.721 27.552 21.989
201 H CYS 26 H CYS 26 25.827 29.818 17.930
202 HA CYS 26 HA CYS 26 26.658 29.924 15.058
203 HB2 CYS 26 HB2 CYS 26 25.802 32.020 15.856
204 HB3 CYS 26 HB3 CYS 26 26.695 31.879 17.370
205 H GLU 27 H GLU 27 28.797 29.396 14.502
206 HA GLU 27 HA GLU 27 30.845 29.096 16.626
207 HB2 GLU 27 HB2 GLU 27 30.197 26.899 16.315
208 HB3 GLU 27 HB3 GLU 27 29.565 27.201 14.710
209 HG2 GLU 27 HG2 GLU 27 31.195 25.887 14.182
210 HG3 GLU 27 HG3 GLU 27 32.004 27.396 13.916
211 H CYS 28 H CYS 28 32.947 29.644 15.932
212 HA CYS 28 HA CYS 28 33.040 31.234 13.427
213 HB2 CYS 28 HB2 CYS 28 34.845 31.376 15.848
214 HB3 CYS 28 HB3 CYS 28 34.838 32.456 14.450
215 H VAL 29 H VAL 29 34.821 31.092 12.038
216 HA VAL 29 HA VAL 29 36.146 28.412 12.060
217 HB VAL 29 HB VAL 29 36.292 28.728 9.607
218 HG11 VAL 29 HG11 VAL 29 33.530 28.574 10.885
219 HG12 VAL 29 HG12 VAL 29 33.959 28.004 9.258
220 HG13 VAL 29 HG13 VAL 29 34.677 27.233 10.679
221 HG21 VAL 29 HG21 VAL 29 34.946 30.247 8.426
222 HG22 VAL 29 HG22 VAL 29 34.051 30.737 9.866
223 HG23 VAL 29 HG23 VAL 29 35.726 31.283 9.640
224 HA PRO 30 HA PRO 30 40.054 30.772 11.981
225 HB2 PRO 30 HB2 PRO 30 41.688 28.936 13.111
226 HB3 PRO 30 HB3 PRO 30 40.531 29.888 14.073
227 HG2 PRO 30 HG2 PRO 30 40.135 27.080 12.983
228 HG3 PRO 30 HG3 PRO 30 39.890 27.655 14.664
229 HD2 PRO 30 HD2 PRO 30 37.854 27.455 12.847
230 HD3 PRO 30 HD3 PRO 30 37.878 28.736 14.096
231 H TYR 31 H TYR 31 38.801 29.634 9.739
232 HA TYR 31 HA TYR 31 40.638 27.910 8.233
233 HB2 TYR 31 HB2 TYR 31 38.202 29.534 7.402
234 HB3 TYR 31 HB3 TYR 31 39.087 28.442 6.356
235 HD1 TYR 31 HD1 TYR 31 39.111 26.597 9.329
236 HD2 TYR 31 HD2 TYR 31 36.366 28.062 6.330
237 HE1 TYR 31 HE1 TYR 31 37.508 24.788 9.899
238 HE2 TYR 31 HE2 TYR 31 34.775 26.243 6.910
239 HH TYR 31 HH TYR 31 34.481 24.272 8.109
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 16.314 31.628 21.919
2 H2 ALA 1 H2 ALA 1 17.734 31.083 21.240
3 H3 ALA 1 H3 ALA 1 16.293 30.505 20.733
4 HA ALA 1 HA ALA 1 15.626 32.606 19.858
5 HB1 ALA 1 HB1 ALA 1 17.258 34.468 19.780
6 HB2 ALA 1 HB2 ALA 1 16.808 34.057 21.438
7 HB3 ALA 1 HB3 ALA 1 18.378 33.530 20.783
8 H PHE 2 H PHE 2 15.668 32.454 17.691
9 HA PHE 2 HA PHE 2 17.351 30.571 16.402
10 HB2 PHE 2 HB2 PHE 2 15.752 32.777 15.073
11 HB3 PHE 2 HB3 PHE 2 16.255 31.247 14.361
12 HD1 PHE 2 HD1 PHE 2 13.580 32.950 15.989
13 HD2 PHE 2 HD2 PHE 2 15.396 29.061 15.614
14 HE1 PHE 2 HE1 PHE 2 11.497 31.893 16.810
15 HE2 PHE 2 HE2 PHE 2 13.309 28.003 16.442
16 HZ PHE 2 HZ PHE 2 11.347 29.419 17.038
17 H CYS 3 H CYS 3 19.049 30.744 14.948
18 HA CYS 3 HA CYS 3 20.878 32.983 15.496
19 HB2 CYS 3 HB2 CYS 3 22.519 31.644 14.340
20 HB3 CYS 3 HB3 CYS 3 21.672 30.693 15.551
21 H ASN 4 H ASN 4 21.867 34.353 13.947
22 HA ASN 4 HA ASN 4 20.708 34.421 11.188
23 HB2 ASN 4 HB2 ASN 4 21.292 36.774 13.033
24 HB3 ASN 4 HB3 ASN 4 20.952 36.921 11.313
25 HD21 ASN 4 HD21 ASN 4 17.463 36.631 11.714
26 HD22 ASN 4 HD22 ASN 4 18.808 36.745 10.588
27 H LEU 5 H LEU 5 22.241 34.290 9.611
28 HA LEU 5 HA LEU 5 24.964 33.783 10.303
29 HB2 LEU 5 HB2 LEU 5 23.891 32.818 8.366
30 HB3 LEU 5 HB3 LEU 5 23.633 34.412 7.653
31 HG LEU 5 HG LEU 5 26.076 34.718 7.382
32 HD11 LEU 5 HD11 LEU 5 26.948 33.341 9.228
33 HD12 LEU 5 HD12 LEU 5 26.284 31.874 8.469
34 HD13 LEU 5 HD13 LEU 5 27.602 32.781 7.694
35 HD21 LEU 5 HD21 LEU 5 25.063 32.076 6.254
36 HD22 LEU 5 HD22 LEU 5 24.749 33.690 5.574
37 HD23 LEU 5 HD23 LEU 5 26.400 33.057 5.608
38 H ARG 6 H ARG 6 23.409 36.769 9.023
39 HA ARG 6 HA ARG 6 25.810 38.265 8.634
40 HB2 ARG 6 HB2 ARG 6 22.985 39.136 9.368
41 HB3 ARG 6 HB3 ARG 6 24.282 40.274 8.974
42 HG2 ARG 6 HG2 ARG 6 24.514 39.388 6.734
43 HG3 ARG 6 HG3 ARG 6 23.373 38.069 7.075
44 HD2 ARG 6 HD2 ARG 6 21.587 39.689 7.481
45 HD3 ARG 6 HD3 ARG 6 22.692 41.038 7.149
46 HE ARG 6 HE ARG 6 22.957 39.758 4.841
47 HH11 ARG 6 HH11 ARG 6 19.914 40.344 6.564
48 HH12 ARG 6 HH12 ARG 6 19.008 40.203 5.073
49 HH21 ARG 6 HH21 ARG 6 21.627 39.649 3.023
50 HH22 ARG 6 HH22 ARG 6 19.972 40.249 3.201
51 H ARG 7 H ARG 7 23.789 37.986 11.517
52 HA ARG 7 HA ARG 7 25.380 39.589 13.312
53 HB2 ARG 7 HB2 ARG 7 22.970 38.913 13.661
54 HB3 ARG 7 HB3 ARG 7 23.494 37.248 13.874
55 HG2 ARG 7 HG2 ARG 7 24.854 37.986 15.875
56 HG3 ARG 7 HG3 ARG 7 24.133 39.598 15.704
57 HD2 ARG 7 HD2 ARG 7 21.887 38.638 16.019
58 HD3 ARG 7 HD3 ARG 7 22.563 37.001 15.988
59 HE ARG 7 HE ARG 7 23.494 38.874 18.112
60 HH11 ARG 7 HH11 ARG 7 21.264 36.204 17.390
61 HH12 ARG 7 HH12 ARG 7 21.224 35.779 19.102
62 HH21 ARG 7 HH21 ARG 7 23.580 37.928 20.149
63 HH22 ARG 7 HH22 ARG 7 22.395 36.670 20.523
64 H CYS 8 H CYS 8 25.321 36.068 12.653
65 HA CYS 8 HA CYS 8 27.263 35.393 14.625
66 HB2 CYS 8 HB2 CYS 8 25.728 33.803 13.590
67 HB3 CYS 8 HB3 CYS 8 26.486 34.047 12.014
68 H GLU 9 H GLU 9 27.638 36.268 11.187
69 HA GLU 9 HA GLU 9 30.487 36.010 11.015
70 HB2 GLU 9 HB2 GLU 9 28.349 37.557 9.520
71 HB3 GLU 9 HB3 GLU 9 30.045 37.796 9.127
72 HG2 GLU 9 HG2 GLU 9 28.979 34.956 9.289
73 HG3 GLU 9 HG3 GLU 9 28.591 35.948 7.887
74 H LEU 10 H LEU 10 28.477 38.928 11.755
75 HA LEU 10 HA LEU 10 30.604 40.713 12.262
76 HB2 LEU 10 HB2 LEU 10 28.236 41.378 12.033
77 HB3 LEU 10 HB3 LEU 10 27.804 40.408 13.429
78 HG LEU 10 HG LEU 10 29.261 41.937 14.846
79 HD11 LEU 10 HD11 LEU 10 28.983 43.722 12.386
80 HD12 LEU 10 HD12 LEU 10 29.639 44.202 13.972
81 HD13 LEU 10 HD13 LEU 10 30.502 43.024 12.973
82 HD21 LEU 10 HD21 LEU 10 26.826 42.019 14.904
83 HD22 LEU 10 HD22 LEU 10 27.497 43.648 15.012
84 HD23 LEU 10 HD23 LEU 10 26.799 43.079 13.476
85 H SER 11 H SER 11 29.028 38.402 14.424
86 HA SER 11 HA SER 11 30.363 39.095 16.853
87 HB2 SER 11 HB2 SER 11 29.228 36.380 16.066
88 HB3 SER 11 HB3 SER 11 29.561 36.967 17.700
89 HG SER 11 HG SER 11 27.657 38.000 15.851
90 H CYS 12 H CYS 12 31.253 36.750 14.273
91 HA CYS 12 HA CYS 12 33.546 35.729 15.817
92 HB2 CYS 12 HB2 CYS 12 32.574 35.272 12.979
93 HB3 CYS 12 HB3 CYS 12 33.979 34.459 13.690
94 H ARG 13 H ARG 13 33.022 37.984 13.085
95 HA ARG 13 HA ARG 13 35.753 38.311 12.363
96 HB2 ARG 13 HB2 ARG 13 33.196 39.894 11.986
97 HB3 ARG 13 HB3 ARG 13 34.716 40.454 11.341
98 HG2 ARG 13 HG2 ARG 13 35.026 38.415 10.019
99 HG3 ARG 13 HG3 ARG 13 33.601 37.679 10.762
100 HD2 ARG 13 HD2 ARG 13 32.218 39.562 9.785
101 HD3 ARG 13 HD3 ARG 13 33.657 40.091 8.910
102 HE ARG 13 HE ARG 13 32.507 37.307 8.628
103 HH11 ARG 13 HH11 ARG 13 33.578 40.222 6.906
104 HH12 ARG 13 HH12 ARG 13 33.399 39.385 5.369
105 HH21 ARG 13 HH21 ARG 13 32.171 36.500 6.591
106 HH22 ARG 13 HH22 ARG 13 32.667 37.488 5.210
107 H SER 14 H SER 14 34.109 39.545 15.115
108 HA SER 14 HA SER 14 35.865 41.704 15.840
109 HB2 SER 14 HB2 SER 14 35.030 41.387 18.065
110 HB3 SER 14 HB3 SER 14 33.678 41.142 16.957
111 HG SER 14 HG SER 14 33.662 39.001 17.439
112 H LEU 15 H LEU 15 36.214 38.181 16.080
113 HA LEU 15 HA LEU 15 38.694 38.283 17.659
114 HB2 LEU 15 HB2 LEU 15 37.487 35.943 16.140
115 HB3 LEU 15 HB3 LEU 15 38.660 35.880 17.441
116 HG LEU 15 HG LEU 15 35.724 36.685 17.674
117 HD11 LEU 15 HD11 LEU 15 36.105 34.280 17.318
118 HD12 LEU 15 HD12 LEU 15 37.251 34.247 18.679
119 HD13 LEU 15 HD13 LEU 15 35.534 34.603 18.961
120 HD21 LEU 15 HD21 LEU 15 36.133 36.646 20.128
121 HD22 LEU 15 HD22 LEU 15 37.873 36.442 19.836
122 HD23 LEU 15 HD23 LEU 15 37.040 37.936 19.338
123 H GLY 16 H GLY 16 37.743 37.978 14.283
124 HA2 GLY 16 HA2 GLY 16 39.396 38.781 12.585
125 HA3 GLY 16 HA3 GLY 16 40.606 37.775 13.380
126 H LEU 17 H LEU 17 37.846 35.986 13.530
127 HA LEU 17 HA LEU 17 38.306 34.515 10.963
128 HB2 LEU 17 HB2 LEU 17 37.253 32.613 12.307
129 HB3 LEU 17 HB3 LEU 17 38.986 32.948 12.445
130 HG LEU 17 HG LEU 17 37.013 33.881 14.535
131 HD11 LEU 17 HD11 LEU 17 38.582 31.282 14.497
132 HD12 LEU 17 HD12 LEU 17 37.489 31.836 15.781
133 HD13 LEU 17 HD13 LEU 17 36.848 31.390 14.181
134 HD21 LEU 17 HD21 LEU 17 39.985 33.228 14.617
135 HD22 LEU 17 HD22 LEU 17 39.313 34.855 14.752
136 HD23 LEU 17 HD23 LEU 17 39.001 33.675 16.037
137 H LEU 18 H LEU 18 36.425 33.347 10.133
138 HA LEU 18 HA LEU 18 34.120 35.215 10.047
139 HB2 LEU 18 HB2 LEU 18 35.099 32.941 8.306
140 HB3 LEU 18 HB3 LEU 18 33.424 33.458 8.231
141 HG LEU 18 HG LEU 18 34.133 35.773 7.728
142 HD11 LEU 18 HD11 LEU 18 36.929 34.593 7.563
143 HD12 LEU 18 HD12 LEU 18 36.439 36.170 6.896
144 HD13 LEU 18 HD13 LEU 18 36.374 35.908 8.633
145 HD21 LEU 18 HD21 LEU 18 35.222 33.623 5.872
146 HD22 LEU 18 HD22 LEU 18 33.540 34.195 5.942
147 HD23 LEU 18 HD23 LEU 18 34.817 35.292 5.403
148 H GLY 19 H GLY 19 31.931 34.285 9.939
149 HA2 GLY 19 HA2 GLY 19 31.487 32.283 12.131
150 HA3 GLY 19 HA3 GLY 19 30.444 33.655 11.817
151 H LYS 20 H LYS 20 29.741 30.904 12.074
152 HA LYS 20 HA LYS 20 27.973 30.619 9.763
153 HB2 LYS 20 HB2 LYS 20 30.145 29.345 9.284
154 HB3 LYS 20 HB3 LYS 20 29.838 28.384 10.725
155 HG2 LYS 20 HG2 LYS 20 29.180 27.149 8.763
156 HG3 LYS 20 HG3 LYS 20 27.723 27.548 9.687
157 HD2 LYS 20 HD2 LYS 20 27.154 29.338 8.161
158 HD3 LYS 20 HD3 LYS 20 28.727 29.217 7.356
159 HE2 LYS 20 HE2 LYS 20 28.175 26.889 6.637
160 HE3 LYS 20 HE3 LYS 20 26.588 27.022 7.400
161 HZ1 LYS 20 HZ1 LYS 20 26.008 28.750 5.824
162 HZ2 LYS 20 HZ2 LYS 20 27.533 28.783 5.195
163 HZ3 LYS 20 HZ3 LYS 20 26.575 27.473 4.979
164 H CYS 21 H CYS 21 25.923 29.764 10.466
165 HA CYS 21 HA CYS 21 25.721 29.011 13.330
166 HB2 CYS 21 HB2 CYS 21 24.024 30.494 12.417
167 HB3 CYS 21 HB3 CYS 21 23.578 29.280 11.214
168 H ILE 22 H ILE 22 25.463 26.940 14.077
169 HA ILE 22 HA ILE 22 25.641 24.730 12.074
170 HB ILE 22 HB ILE 22 27.441 24.995 13.720
171 HG12 ILE 22 HG12 ILE 22 25.948 22.369 14.112
172 HG13 ILE 22 HG13 ILE 22 26.797 22.812 12.626
173 HG21 ILE 22 HG21 ILE 22 26.093 25.760 15.670
174 HG22 ILE 22 HG22 ILE 22 25.391 24.131 15.812
175 HG23 ILE 22 HG23 ILE 22 27.125 24.402 16.067
176 HD11 ILE 22 HD11 ILE 22 28.226 21.394 13.976
177 HD12 ILE 22 HD12 ILE 22 28.923 23.024 13.905
178 HD13 ILE 22 HD13 ILE 22 28.076 22.468 15.370
179 H GLY 23 H GLY 23 23.480 25.983 14.445
180 HA2 GLY 23 HA2 GLY 23 21.147 24.723 13.676
181 HA3 GLY 23 HA3 GLY 23 21.848 23.603 14.844
182 H GLU 24 H GLU 24 20.465 26.789 14.382
183 HA GLU 24 HA GLU 24 20.098 28.595 15.720
184 HB2 GLU 24 HB2 GLU 24 19.129 26.623 17.789
185 HB3 GLU 24 HB3 GLU 24 18.630 28.297 17.554
186 HG2 GLU 24 HG2 GLU 24 17.932 25.859 15.959
187 HG3 GLU 24 HG3 GLU 24 16.851 27.009 16.742
188 H LYS 25 H LYS 25 22.734 27.912 15.811
189 HA LYS 25 HA LYS 25 23.660 29.264 18.225
190 HB2 LYS 25 HB2 LYS 25 23.335 26.719 18.722
191 HB3 LYS 25 HB3 LYS 25 24.748 26.460 17.714
192 HG2 LYS 25 HG2 LYS 25 24.597 28.163 20.241
193 HG3 LYS 25 HG3 LYS 25 25.176 26.492 20.153
194 HD2 LYS 25 HD2 LYS 25 27.030 27.260 18.635
195 HD3 LYS 25 HD3 LYS 25 26.479 28.929 18.926
196 HE2 LYS 25 HE2 LYS 25 26.810 28.675 21.335
197 HE3 LYS 25 HE3 LYS 25 27.366 27.012 21.091
198 HZ1 LYS 25 HZ1 LYS 25 29.188 28.647 21.278
199 HZ2 LYS 25 HZ2 LYS 25 29.233 27.809 19.870
200 HZ3 LYS 25 HZ3 LYS 25 28.693 29.366 19.877
201 H CYS 26 H CYS 26 25.276 30.547 17.583
202 HA CYS 26 HA CYS 26 26.579 30.282 14.966
203 HB2 CYS 26 HB2 CYS 26 25.818 32.453 15.701
204 HB3 CYS 26 HB3 CYS 26 26.703 32.310 17.215
205 H GLU 27 H GLU 27 28.548 29.445 14.552
206 HA GLU 27 HA GLU 27 30.632 29.380 16.675
207 HB2 GLU 27 HB2 GLU 27 30.026 27.335 14.506
208 HB3 GLU 27 HB3 GLU 27 31.525 27.351 15.432
209 HG2 GLU 27 HG2 GLU 27 28.753 27.105 16.670
210 HG3 GLU 27 HG3 GLU 27 29.780 25.765 16.215
211 H CYS 28 H CYS 28 32.782 29.347 15.774
212 HA CYS 28 HA CYS 28 32.998 31.135 13.394
213 HB2 CYS 28 HB2 CYS 28 34.824 31.133 15.808
214 HB3 CYS 28 HB3 CYS 28 34.804 32.277 14.457
215 H VAL 29 H VAL 29 34.758 30.887 11.995
216 HA VAL 29 HA VAL 29 35.804 28.114 11.932
217 HB VAL 29 HB VAL 29 36.247 28.537 9.546
218 HG11 VAL 29 HG11 VAL 29 33.854 28.231 8.956
219 HG12 VAL 29 HG12 VAL 29 34.309 27.282 10.376
220 HG13 VAL 29 HG13 VAL 29 33.370 28.773 10.583
221 HG21 VAL 29 HG21 VAL 29 34.338 30.904 9.789
222 HG22 VAL 29 HG22 VAL 29 36.091 31.127 9.621
223 HG23 VAL 29 HG23 VAL 29 35.177 30.303 8.357
224 HA PRO 30 HA PRO 30 39.842 29.988 12.780
225 HB2 PRO 30 HB2 PRO 30 41.097 27.902 13.905
226 HB3 PRO 30 HB3 PRO 30 39.771 28.723 14.737
227 HG2 PRO 30 HG2 PRO 30 39.619 26.209 13.017
228 HG3 PRO 30 HG3 PRO 30 39.046 26.442 14.680
229 HD2 PRO 30 HD2 PRO 30 37.387 26.757 12.553
230 HD3 PRO 30 HD3 PRO 30 37.230 27.792 14.009
231 H TYR 31 H TYR 31 39.239 29.461 10.116
232 HA TYR 31 HA TYR 31 40.957 27.565 8.833
233 HB2 TYR 31 HB2 TYR 31 39.569 30.042 7.778
234 HB3 TYR 31 HB3 TYR 31 40.341 28.823 6.781
235 HD1 TYR 31 HD1 TYR 31 37.539 29.727 6.413
236 HD2 TYR 31 HD2 TYR 31 39.114 26.477 8.795
237 HE1 TYR 31 HE1 TYR 31 35.425 28.440 6.075
238 HE2 TYR 31 HE2 TYR 31 37.000 25.224 8.486
239 HH TYR 31 HH TYR 31 34.521 26.282 6.209
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 14.855 29.798 18.444
2 H2 ALA 1 H2 ALA 1 14.553 28.596 17.374
3 H3 ALA 1 H3 ALA 1 13.298 29.430 18.044
4 HA ALA 1 HA ALA 1 13.576 30.210 15.839
5 HB1 ALA 1 HB1 ALA 1 14.024 32.599 16.242
6 HB2 ALA 1 HB2 ALA 1 12.983 31.921 17.505
7 HB3 ALA 1 HB3 ALA 1 14.706 32.221 17.833
8 H PHE 2 H PHE 2 14.854 30.362 14.080
9 HA PHE 2 HA PHE 2 17.503 29.340 14.137
10 HB2 PHE 2 HB2 PHE 2 16.272 30.962 11.904
11 HB3 PHE 2 HB3 PHE 2 17.527 29.745 11.768
12 HD1 PHE 2 HD1 PHE 2 14.152 30.352 11.199
13 HD2 PHE 2 HD2 PHE 2 16.731 27.314 12.840
14 HE1 PHE 2 HE1 PHE 2 12.379 28.662 10.844
15 HE2 PHE 2 HE2 PHE 2 14.967 25.616 12.443
16 HZ PHE 2 HZ PHE 2 12.789 26.278 11.448
17 H CYS 3 H CYS 3 19.534 30.215 14.019
18 HA CYS 3 HA CYS 3 19.820 32.980 14.943
19 HB2 CYS 3 HB2 CYS 3 22.149 32.454 15.232
20 HB3 CYS 3 HB3 CYS 3 21.122 31.269 15.999
21 H ASN 4 H ASN 4 20.944 34.643 13.904
22 HA ASN 4 HA ASN 4 20.663 34.640 10.979
23 HB2 ASN 4 HB2 ASN 4 19.848 36.539 12.342
24 HB3 ASN 4 HB3 ASN 4 21.468 36.830 12.938
25 HD21 ASN 4 HD21 ASN 4 20.587 37.764 9.025
26 HD22 ASN 4 HD22 ASN 4 19.504 36.690 9.914
27 H LEU 5 H LEU 5 22.274 34.345 9.565
28 HA LEU 5 HA LEU 5 24.885 33.697 10.536
29 HB2 LEU 5 HB2 LEU 5 23.791 32.566 8.723
30 HB3 LEU 5 HB3 LEU 5 23.779 34.031 7.749
31 HG LEU 5 HG LEU 5 26.213 33.952 7.496
32 HD11 LEU 5 HD11 LEU 5 27.511 32.027 8.379
33 HD12 LEU 5 HD12 LEU 5 26.908 33.034 9.690
34 HD13 LEU 5 HD13 LEU 5 26.084 31.502 9.296
35 HD21 LEU 5 HD21 LEU 5 26.373 31.694 6.387
36 HD22 LEU 5 HD22 LEU 5 24.826 31.249 7.115
37 HD23 LEU 5 HD23 LEU 5 24.906 32.595 5.952
38 H ARG 6 H ARG 6 23.702 36.705 8.927
39 HA ARG 6 HA ARG 6 26.306 37.911 8.713
40 HB2 ARG 6 HB2 ARG 6 24.176 38.693 7.572
41 HB3 ARG 6 HB3 ARG 6 23.661 39.377 9.120
42 HG2 ARG 6 HG2 ARG 6 25.753 40.784 9.129
43 HG3 ARG 6 HG3 ARG 6 26.156 40.124 7.537
44 HD2 ARG 6 HD2 ARG 6 23.997 41.043 6.652
45 HD3 ARG 6 HD3 ARG 6 23.689 41.792 8.214
46 HE ARG 6 HE ARG 6 25.352 42.811 6.109
47 HH11 ARG 6 HH11 ARG 6 25.076 43.003 9.602
48 HH12 ARG 6 HH12 ARG 6 26.338 44.219 9.705
49 HH21 ARG 6 HH21 ARG 6 26.704 44.489 6.292
50 HH22 ARG 6 HH22 ARG 6 27.184 45.101 7.844
51 H ARG 7 H ARG 7 23.934 37.912 11.383
52 HA ARG 7 HA ARG 7 25.499 39.529 13.179
53 HB2 ARG 7 HB2 ARG 7 22.986 38.966 13.210
54 HB3 ARG 7 HB3 ARG 7 23.442 37.410 13.917
55 HG2 ARG 7 HG2 ARG 7 24.552 38.671 15.805
56 HG3 ARG 7 HG3 ARG 7 23.932 40.178 15.111
57 HD2 ARG 7 HD2 ARG 7 22.247 37.796 16.011
58 HD3 ARG 7 HD3 ARG 7 22.526 39.239 16.968
59 HE ARG 7 HE ARG 7 20.804 38.994 14.558
60 HH11 ARG 7 HH11 ARG 7 22.033 41.349 16.943
61 HH12 ARG 7 HH12 ARG 7 20.525 42.252 16.787
62 HH21 ARG 7 HH21 ARG 7 19.168 40.367 14.347
63 HH22 ARG 7 HH22 ARG 7 18.997 41.689 15.525
64 H CYS 8 H CYS 8 25.352 36.019 12.686
65 HA CYS 8 HA CYS 8 27.186 35.318 14.799
66 HB2 CYS 8 HB2 CYS 8 25.715 33.691 13.790
67 HB3 CYS 8 HB3 CYS 8 26.410 33.966 12.197
68 H GLU 9 H GLU 9 27.728 36.028 11.298
69 HA GLU 9 HA GLU 9 30.593 35.857 11.313
70 HB2 GLU 9 HB2 GLU 9 28.594 37.459 9.695
71 HB3 GLU 9 HB3 GLU 9 30.319 37.664 9.454
72 HG2 GLU 9 HG2 GLU 9 29.322 34.835 9.386
73 HG3 GLU 9 HG3 GLU 9 28.774 35.893 8.090
74 H LEU 10 H LEU 10 28.442 38.690 11.998
75 HA LEU 10 HA LEU 10 30.448 40.561 12.450
76 HB2 LEU 10 HB2 LEU 10 28.075 41.065 12.149
77 HB3 LEU 10 HB3 LEU 10 27.673 40.236 13.649
78 HG LEU 10 HG LEU 10 28.897 41.933 14.941
79 HD11 LEU 10 HD11 LEU 10 29.184 43.329 12.239
80 HD12 LEU 10 HD12 LEU 10 29.513 44.064 13.824
81 HD13 LEU 10 HD13 LEU 10 30.517 42.729 13.255
82 HD21 LEU 10 HD21 LEU 10 26.477 42.151 14.554
83 HD22 LEU 10 HD22 LEU 10 27.254 43.739 14.618
84 HD23 LEU 10 HD23 LEU 10 26.785 43.049 13.048
85 H SER 11 H SER 11 29.299 38.087 14.726
86 HA SER 11 HA SER 11 30.833 39.085 17.001
87 HB2 SER 11 HB2 SER 11 28.907 37.593 17.324
88 HB3 SER 11 HB3 SER 11 29.730 36.306 16.423
89 HG SER 11 HG SER 11 30.644 37.573 18.810
90 H CYS 12 H CYS 12 31.463 36.673 14.402
91 HA CYS 12 HA CYS 12 33.943 35.729 15.604
92 HB2 CYS 12 HB2 CYS 12 32.806 35.420 12.798
93 HB3 CYS 12 HB3 CYS 12 34.154 34.503 13.470
94 H ARG 13 H ARG 13 33.079 38.139 13.156
95 HA ARG 13 HA ARG 13 35.706 38.807 12.255
96 HB2 ARG 13 HB2 ARG 13 33.061 40.320 12.351
97 HB3 ARG 13 HB3 ARG 13 34.475 40.858 11.474
98 HG2 ARG 13 HG2 ARG 13 33.092 38.210 10.932
99 HG3 ARG 13 HG3 ARG 13 32.729 39.695 10.066
100 HD2 ARG 13 HD2 ARG 13 34.863 39.667 9.022
101 HD3 ARG 13 HD3 ARG 13 35.496 38.436 10.140
102 HE ARG 13 HE ARG 13 33.336 37.150 9.038
103 HH11 ARG 13 HH11 ARG 13 36.151 38.651 7.526
104 HH12 ARG 13 HH12 ARG 13 36.049 37.569 6.156
105 HH21 ARG 13 HH21 ARG 13 33.207 35.962 7.357
106 HH22 ARG 13 HH22 ARG 13 34.309 36.166 5.983
107 H SER 14 H SER 14 34.037 39.682 15.243
108 HA SER 14 HA SER 14 35.806 41.874 15.928
109 HB2 SER 14 HB2 SER 14 34.971 41.746 18.106
110 HB3 SER 14 HB3 SER 14 33.602 41.310 17.081
111 HG SER 14 HG SER 14 33.902 39.151 17.640
112 H LEU 15 H LEU 15 36.219 38.392 15.970
113 HA LEU 15 HA LEU 15 38.806 38.527 17.412
114 HB2 LEU 15 HB2 LEU 15 37.529 36.121 16.092
115 HB3 LEU 15 HB3 LEU 15 38.764 36.145 17.349
116 HG LEU 15 HG LEU 15 35.823 36.884 17.650
117 HD11 LEU 15 HD11 LEU 15 35.702 34.867 19.030
118 HD12 LEU 15 HD12 LEU 15 36.256 34.474 17.394
119 HD13 LEU 15 HD13 LEU 15 37.423 34.539 18.735
120 HD21 LEU 15 HD21 LEU 15 38.025 36.770 19.766
121 HD22 LEU 15 HD22 LEU 15 37.200 38.242 19.207
122 HD23 LEU 15 HD23 LEU 15 36.296 37.010 20.085
123 H GLY 16 H GLY 16 37.493 38.182 14.187
124 HA2 GLY 16 HA2 GLY 16 38.779 38.989 12.270
125 HA3 GLY 16 HA3 GLY 16 40.229 38.254 12.954
126 H LEU 17 H LEU 17 37.320 36.321 13.182
127 HA LEU 17 HA LEU 17 38.190 34.650 10.845
128 HB2 LEU 17 HB2 LEU 17 37.184 32.765 12.339
129 HB3 LEU 17 HB3 LEU 17 38.886 33.183 12.309
130 HG LEU 17 HG LEU 17 37.036 34.219 14.460
131 HD11 LEU 17 HD11 LEU 17 37.692 32.328 15.851
132 HD12 LEU 17 HD12 LEU 17 36.981 31.695 14.359
133 HD13 LEU 17 HD13 LEU 17 38.732 31.688 14.566
134 HD21 LEU 17 HD21 LEU 17 39.183 34.207 15.800
135 HD22 LEU 17 HD22 LEU 17 40.062 33.693 14.352
136 HD23 LEU 17 HD23 LEU 17 39.308 35.289 14.415
137 H LEU 18 H LEU 18 36.552 33.141 10.091
138 HA LEU 18 HA LEU 18 34.154 34.709 9.430
139 HB2 LEU 18 HB2 LEU 18 35.322 33.826 7.610
140 HB3 LEU 18 HB3 LEU 18 35.452 32.220 8.282
141 HG LEU 18 HG LEU 18 32.707 33.312 7.641
142 HD11 LEU 18 HD11 LEU 18 32.918 32.409 5.354
143 HD12 LEU 18 HD12 LEU 18 34.047 33.743 5.624
144 HD13 LEU 18 HD13 LEU 18 34.639 32.073 5.645
145 HD21 LEU 18 HD21 LEU 18 32.196 30.968 7.171
146 HD22 LEU 18 HD22 LEU 18 33.894 30.511 7.397
147 HD23 LEU 18 HD23 LEU 18 32.930 31.063 8.776
148 H GLY 19 H GLY 19 32.054 34.125 9.793
149 HA2 GLY 19 HA2 GLY 19 31.571 32.179 12.012
150 HA3 GLY 19 HA3 GLY 19 30.527 33.519 11.578
151 H LYS 20 H LYS 20 30.076 30.616 11.972
152 HA LYS 20 HA LYS 20 28.310 30.164 9.608
153 HB2 LYS 20 HB2 LYS 20 29.959 28.085 11.108
154 HB3 LYS 20 HB3 LYS 20 28.669 27.714 9.956
155 HG2 LYS 20 HG2 LYS 20 31.034 29.382 9.089
156 HG3 LYS 20 HG3 LYS 20 31.147 27.640 9.138
157 HD2 LYS 20 HD2 LYS 20 28.931 29.119 7.731
158 HD3 LYS 20 HD3 LYS 20 30.434 28.674 6.909
159 HE2 LYS 20 HE2 LYS 20 28.373 26.764 8.109
160 HE3 LYS 20 HE3 LYS 20 28.570 27.118 6.394
161 HZ1 LYS 20 HZ1 LYS 20 30.774 26.085 6.472
162 HZ2 LYS 20 HZ2 LYS 20 30.620 25.809 8.102
163 HZ3 LYS 20 HZ3 LYS 20 29.678 25.023 7.045
164 H CYS 21 H CYS 21 26.294 29.634 10.044
165 HA CYS 21 HA CYS 21 25.347 29.013 12.820
166 HB2 CYS 21 HB2 CYS 21 24.786 31.414 11.292
167 HB3 CYS 21 HB3 CYS 21 23.314 30.469 11.458
168 H ILE 22 H ILE 22 24.338 27.085 12.753
169 HA ILE 22 HA ILE 22 23.116 26.161 10.168
170 HB ILE 22 HB ILE 22 24.951 24.615 12.020
171 HG12 ILE 22 HG12 ILE 22 25.351 25.486 9.128
172 HG13 ILE 22 HG13 ILE 22 26.109 26.258 10.519
173 HG21 ILE 22 HG21 ILE 22 24.732 22.761 10.393
174 HG22 ILE 22 HG22 ILE 22 23.192 23.130 11.141
175 HG23 ILE 22 HG23 ILE 22 23.536 23.714 9.491
176 HD11 ILE 22 HD11 ILE 22 27.741 24.848 9.548
177 HD12 ILE 22 HD12 ILE 22 27.242 24.089 11.063
178 HD13 ILE 22 HD13 ILE 22 26.659 23.446 9.504
179 H GLY 23 H GLY 23 22.986 25.886 13.683
180 HA2 GLY 23 HA2 GLY 23 20.085 25.220 13.517
181 HA3 GLY 23 HA3 GLY 23 21.156 24.047 14.289
182 H GLU 24 H GLU 24 20.190 27.481 14.404
183 HA GLU 24 HA GLU 24 19.782 28.941 16.049
184 HB2 GLU 24 HB2 GLU 24 19.127 26.658 17.915
185 HB3 GLU 24 HB3 GLU 24 18.500 28.307 17.880
186 HG2 GLU 24 HG2 GLU 24 17.713 27.584 15.427
187 HG3 GLU 24 HG3 GLU 24 17.820 25.963 16.110
188 H LYS 25 H LYS 25 22.551 27.776 15.973
189 HA LYS 25 HA LYS 25 23.667 29.152 18.342
190 HB2 LYS 25 HB2 LYS 25 23.350 26.824 19.058
191 HB3 LYS 25 HB3 LYS 25 24.121 26.230 17.594
192 HG2 LYS 25 HG2 LYS 25 25.608 26.000 19.462
193 HG3 LYS 25 HG3 LYS 25 26.277 27.141 18.299
194 HD2 LYS 25 HD2 LYS 25 26.172 28.913 19.774
195 HD3 LYS 25 HD3 LYS 25 24.646 28.372 20.478
196 HE2 LYS 25 HE2 LYS 25 26.199 28.240 22.230
197 HE3 LYS 25 HE3 LYS 25 25.892 26.580 21.717
198 HZ1 LYS 25 HZ1 LYS 25 28.036 26.765 20.415
199 HZ2 LYS 25 HZ2 LYS 25 28.317 28.207 21.119
200 HZ3 LYS 25 HZ3 LYS 25 28.221 26.885 22.054
201 H CYS 26 H CYS 26 25.531 30.228 17.825
202 HA CYS 26 HA CYS 26 26.562 30.090 15.053
203 HB2 CYS 26 HB2 CYS 26 25.942 32.241 15.993
204 HB3 CYS 26 HB3 CYS 26 26.972 31.965 17.393
205 H GLU 27 H GLU 27 28.803 29.887 14.528
206 HA GLU 27 HA GLU 27 30.756 29.386 16.643
207 HB2 GLU 27 HB2 GLU 27 31.559 27.290 15.880
208 HB3 GLU 27 HB3 GLU 27 29.823 27.145 16.162
209 HG2 GLU 27 HG2 GLU 27 29.512 27.488 13.639
210 HG3 GLU 27 HG3 GLU 27 31.262 27.283 13.489
211 H CYS 28 H CYS 28 32.945 29.622 15.958
212 HA CYS 28 HA CYS 28 33.266 31.104 13.383
213 HB2 CYS 28 HB2 CYS 28 34.909 31.425 15.902
214 HB3 CYS 28 HB3 CYS 28 34.895 32.460 14.472
215 H VAL 29 H VAL 29 35.150 30.799 12.128
216 HA VAL 29 HA VAL 29 36.452 28.178 12.575
217 HB VAL 29 HB VAL 29 36.902 28.057 10.270
218 HG11 VAL 29 HG11 VAL 29 34.021 28.935 10.720
219 HG12 VAL 29 HG12 VAL 29 34.627 27.853 9.455
220 HG13 VAL 29 HG13 VAL 29 34.695 27.341 11.144
221 HG21 VAL 29 HG21 VAL 29 35.783 30.866 10.063
222 HG22 VAL 29 HG22 VAL 29 37.324 30.263 9.446
223 HG23 VAL 29 HG23 VAL 29 35.827 29.747 8.682
224 HA PRO 30 HA PRO 30 40.288 30.444 13.346
225 HB2 PRO 30 HB2 PRO 30 41.735 28.543 14.629
226 HB3 PRO 30 HB3 PRO 30 40.252 29.231 15.340
227 HG2 PRO 30 HG2 PRO 30 40.460 26.684 13.715
228 HG3 PRO 30 HG3 PRO 30 39.775 26.864 15.372
229 HD2 PRO 30 HD2 PRO 30 38.203 26.941 13.133
230 HD3 PRO 30 HD3 PRO 30 37.879 27.993 14.538
231 H TYR 31 H TYR 31 39.769 29.526 10.712
232 HA TYR 31 HA TYR 31 42.041 28.090 9.582
233 HB2 TYR 31 HB2 TYR 31 39.911 29.786 8.229
234 HB3 TYR 31 HB3 TYR 31 41.018 28.692 7.431
235 HD1 TYR 31 HD1 TYR 31 40.587 26.456 9.771
236 HD2 TYR 31 HD2 TYR 31 38.045 28.704 7.096
237 HE1 TYR 31 HE1 TYR 31 38.879 24.680 9.907
238 HE2 TYR 31 HE2 TYR 31 36.330 26.891 7.226
239 HH TYR 31 HH TYR 31 36.648 24.193 9.501
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 16.734 30.239 19.079
2 H2 ALA 1 H2 ALA 1 15.525 29.394 18.348
3 H3 ALA 1 H3 ALA 1 15.180 30.728 19.267
4 HA ALA 1 HA ALA 1 15.008 31.163 16.886
5 HB1 ALA 1 HB1 ALA 1 16.448 33.208 16.886
6 HB2 ALA 1 HB2 ALA 1 15.500 33.045 18.376
7 HB3 ALA 1 HB3 ALA 1 17.231 32.629 18.370
8 H PHE 2 H PHE 2 15.876 30.979 14.854
9 HA PHE 2 HA PHE 2 18.069 29.130 14.443
10 HB2 PHE 2 HB2 PHE 2 16.595 30.858 12.434
11 HB3 PHE 2 HB3 PHE 2 17.575 29.446 12.081
12 HD1 PHE 2 HD1 PHE 2 16.809 27.156 12.992
13 HD2 PHE 2 HD2 PHE 2 14.281 30.647 12.975
14 HE1 PHE 2 HE1 PHE 2 14.813 25.722 13.353
15 HE2 PHE 2 HE2 PHE 2 12.301 29.225 13.346
16 HZ PHE 2 HZ PHE 2 12.551 26.756 13.534
17 H CYS 3 H CYS 3 19.887 29.579 12.996
18 HA CYS 3 HA CYS 3 21.569 31.609 14.091
19 HB2 CYS 3 HB2 CYS 3 21.760 29.742 11.713
20 HB3 CYS 3 HB3 CYS 3 23.076 30.826 12.166
21 H ASN 4 H ASN 4 21.590 33.721 13.715
22 HA ASN 4 HA ASN 4 20.781 34.919 11.105
23 HB2 ASN 4 HB2 ASN 4 21.715 36.128 13.754
24 HB3 ASN 4 HB3 ASN 4 21.235 37.052 12.342
25 HD21 ASN 4 HD21 ASN 4 17.732 36.391 12.791
26 HD22 ASN 4 HD22 ASN 4 18.898 36.531 11.484
27 H LEU 5 H LEU 5 22.388 34.516 9.576
28 HA LEU 5 HA LEU 5 25.032 33.753 10.446
29 HB2 LEU 5 HB2 LEU 5 23.737 34.051 7.735
30 HB3 LEU 5 HB3 LEU 5 25.418 33.587 7.915
31 HG LEU 5 HG LEU 5 23.104 32.047 9.159
32 HD11 LEU 5 HD11 LEU 5 22.946 32.025 6.705
33 HD12 LEU 5 HD12 LEU 5 24.641 31.509 6.584
34 HD13 LEU 5 HD13 LEU 5 23.425 30.438 7.322
35 HD21 LEU 5 HD21 LEU 5 25.252 31.588 10.286
36 HD22 LEU 5 HD22 LEU 5 24.788 30.205 9.285
37 HD23 LEU 5 HD23 LEU 5 26.039 31.326 8.710
38 H ARG 6 H ARG 6 23.897 36.707 8.693
39 HA ARG 6 HA ARG 6 26.577 37.807 8.514
40 HB2 ARG 6 HB2 ARG 6 23.839 39.144 8.523
41 HB3 ARG 6 HB3 ARG 6 25.344 40.025 8.288
42 HG2 ARG 6 HG2 ARG 6 24.205 37.893 6.443
43 HG3 ARG 6 HG3 ARG 6 24.320 39.628 6.163
44 HD2 ARG 6 HD2 ARG 6 26.885 39.322 6.455
45 HD3 ARG 6 HD3 ARG 6 26.539 37.583 6.317
46 HE ARG 6 HE ARG 6 25.527 39.360 4.177
47 HH11 ARG 6 HH11 ARG 6 28.194 37.263 5.134
48 HH12 ARG 6 HH12 ARG 6 28.625 36.938 3.475
49 HH21 ARG 6 HH21 ARG 6 26.117 38.817 2.090
50 HH22 ARG 6 HH22 ARG 6 27.382 37.613 1.859
51 H ARG 7 H ARG 7 24.129 38.018 11.078
52 HA ARG 7 HA ARG 7 25.734 39.732 12.781
53 HB2 ARG 7 HB2 ARG 7 23.212 39.219 12.902
54 HB3 ARG 7 HB3 ARG 7 23.655 37.742 13.762
55 HG2 ARG 7 HG2 ARG 7 24.821 39.071 15.488
56 HG3 ARG 7 HG3 ARG 7 24.489 40.568 14.610
57 HD2 ARG 7 HD2 ARG 7 22.373 38.707 15.744
58 HD3 ARG 7 HD3 ARG 7 22.965 40.157 16.557
59 HE ARG 7 HE ARG 7 22.159 41.450 14.506
60 HH11 ARG 7 HH11 ARG 7 20.347 38.665 15.792
61 HH12 ARG 7 HH12 ARG 7 18.952 39.120 14.819
62 HH21 ARG 7 HH21 ARG 7 20.269 41.698 13.211
63 HH22 ARG 7 HH22 ARG 7 18.872 40.735 13.671
64 H CYS 8 H CYS 8 25.534 36.191 12.493
65 HA CYS 8 HA CYS 8 27.455 35.621 14.558
66 HB2 CYS 8 HB2 CYS 8 25.918 33.966 13.651
67 HB3 CYS 8 HB3 CYS 8 26.674 34.086 12.066
68 H GLU 9 H GLU 9 27.933 36.228 11.016
69 HA GLU 9 HA GLU 9 30.781 36.014 11.030
70 HB2 GLU 9 HB2 GLU 9 28.854 37.620 9.320
71 HB3 GLU 9 HB3 GLU 9 30.592 37.602 9.025
72 HG2 GLU 9 HG2 GLU 9 30.598 35.236 8.572
73 HG3 GLU 9 HG3 GLU 9 28.920 35.061 9.069
74 H LEU 10 H LEU 10 28.700 38.829 11.818
75 HA LEU 10 HA LEU 10 30.831 40.687 12.346
76 HB2 LEU 10 HB2 LEU 10 28.621 41.508 11.981
77 HB3 LEU 10 HB3 LEU 10 27.938 40.449 13.200
78 HG LEU 10 HG LEU 10 29.080 41.741 14.996
79 HD11 LEU 10 HD11 LEU 10 29.993 43.964 14.477
80 HD12 LEU 10 HD12 LEU 10 30.948 42.713 13.674
81 HD13 LEU 10 HD13 LEU 10 29.774 43.670 12.739
82 HD21 LEU 10 HD21 LEU 10 26.757 42.211 14.373
83 HD22 LEU 10 HD22 LEU 10 27.598 43.695 14.849
84 HD23 LEU 10 HD23 LEU 10 27.307 43.358 13.126
85 H SER 11 H SER 11 29.022 38.504 14.545
86 HA SER 11 HA SER 11 30.383 39.087 16.940
87 HB2 SER 11 HB2 SER 11 28.346 37.690 16.761
88 HB3 SER 11 HB3 SER 11 29.294 36.403 15.999
89 HG SER 11 HG SER 11 29.411 37.411 18.646
90 H CYS 12 H CYS 12 31.375 36.822 14.339
91 HA CYS 12 HA CYS 12 33.759 35.965 15.804
92 HB2 CYS 12 HB2 CYS 12 32.944 35.478 12.928
93 HB3 CYS 12 HB3 CYS 12 34.251 34.678 13.820
94 H ARG 13 H ARG 13 33.025 38.611 13.669
95 HA ARG 13 HA ARG 13 35.664 39.148 12.682
96 HB2 ARG 13 HB2 ARG 13 33.438 40.278 12.019
97 HB3 ARG 13 HB3 ARG 13 33.672 41.323 13.429
98 HG2 ARG 13 HG2 ARG 13 35.855 42.059 12.526
99 HG3 ARG 13 HG3 ARG 13 35.677 40.944 11.160
100 HD2 ARG 13 HD2 ARG 13 33.697 42.199 10.380
101 HD3 ARG 13 HD3 ARG 13 33.846 43.290 11.771
102 HE ARG 13 HE ARG 13 36.329 43.198 10.365
103 HH11 ARG 13 HH11 ARG 13 33.168 44.761 10.020
104 HH12 ARG 13 HH12 ARG 13 33.883 45.960 8.935
105 HH21 ARG 13 HH21 ARG 13 37.015 44.790 8.933
106 HH22 ARG 13 HH22 ARG 13 35.827 46.003 8.445
107 H SER 14 H SER 14 34.272 39.704 15.878
108 HA SER 14 HA SER 14 36.387 41.248 17.014
109 HB2 SER 14 HB2 SER 14 35.616 40.496 19.149
110 HB3 SER 14 HB3 SER 14 34.205 40.769 18.120
111 HG SER 14 HG SER 14 33.864 38.608 17.973
112 H LEU 15 H LEU 15 36.355 37.852 16.123
113 HA LEU 15 HA LEU 15 39.048 37.361 17.314
114 HB2 LEU 15 HB2 LEU 15 37.143 35.391 16.012
115 HB3 LEU 15 HB3 LEU 15 38.579 35.016 16.965
116 HG LEU 15 HG LEU 15 35.954 36.186 17.950
117 HD11 LEU 15 HD11 LEU 15 35.884 33.796 17.358
118 HD12 LEU 15 HD12 LEU 15 37.265 33.480 18.433
119 HD13 LEU 15 HD13 LEU 15 35.717 34.032 19.105
120 HD21 LEU 15 HD21 LEU 15 37.793 37.070 19.351
121 HD22 LEU 15 HD22 LEU 15 36.893 35.839 20.248
122 HD23 LEU 15 HD23 LEU 15 38.465 35.434 19.531
123 H GLY 16 H GLY 16 37.781 38.545 14.523
124 HA2 GLY 16 HA2 GLY 16 38.739 39.055 12.496
125 HA3 GLY 16 HA3 GLY 16 40.108 37.998 12.857
126 H LEU 17 H LEU 17 37.197 36.269 13.332
127 HA LEU 17 HA LEU 17 37.747 34.747 10.818
128 HB2 LEU 17 HB2 LEU 17 35.930 33.804 13.008
129 HB3 LEU 17 HB3 LEU 17 36.828 32.854 11.827
130 HG LEU 17 HG LEU 17 37.792 34.293 14.233
131 HD11 LEU 17 HD11 LEU 17 38.601 31.947 14.920
132 HD12 LEU 17 HD12 LEU 17 36.907 32.360 15.071
133 HD13 LEU 17 HD13 LEU 17 37.463 31.375 13.697
134 HD21 LEU 17 HD21 LEU 17 39.447 32.635 12.249
135 HD22 LEU 17 HD22 LEU 17 39.606 34.380 12.487
136 HD23 LEU 17 HD23 LEU 17 40.081 33.280 13.780
137 H LEU 18 H LEU 18 35.791 33.497 10.157
138 HA LEU 18 HA LEU 18 33.445 35.273 9.624
139 HB2 LEU 18 HB2 LEU 18 34.605 32.866 8.192
140 HB3 LEU 18 HB3 LEU 18 32.916 33.304 7.962
141 HG LEU 18 HG LEU 18 35.125 35.361 7.565
142 HD11 LEU 18 HD11 LEU 18 35.653 33.456 6.107
143 HD12 LEU 18 HD12 LEU 18 33.989 33.468 5.479
144 HD13 LEU 18 HD13 LEU 18 35.069 34.842 5.166
145 HD21 LEU 18 HD21 LEU 18 32.279 35.072 6.485
146 HD22 LEU 18 HD22 LEU 18 32.827 36.247 7.708
147 HD23 LEU 18 HD23 LEU 18 33.411 36.356 6.048
148 H GLY 19 H GLY 19 31.341 34.037 9.691
149 HA2 GLY 19 HA2 GLY 19 31.230 32.316 12.138
150 HA3 GLY 19 HA3 GLY 19 30.089 33.611 11.813
151 H LYS 20 H LYS 20 29.814 30.679 12.171
152 HA LYS 20 HA LYS 20 28.057 29.996 9.859
153 HB2 LYS 20 HB2 LYS 20 30.208 28.167 11.034
154 HB3 LYS 20 HB3 LYS 20 28.991 27.669 9.866
155 HG2 LYS 20 HG2 LYS 20 31.192 29.704 9.347
156 HG3 LYS 20 HG3 LYS 20 31.187 28.021 8.836
157 HD2 LYS 20 HD2 LYS 20 29.228 28.410 7.392
158 HD3 LYS 20 HD3 LYS 20 29.132 30.086 7.942
159 HE2 LYS 20 HE2 LYS 20 31.565 30.343 7.162
160 HE3 LYS 20 HE3 LYS 20 31.371 28.798 6.331
161 HZ1 LYS 20 HZ1 LYS 20 30.935 30.811 4.968
162 HZ2 LYS 20 HZ2 LYS 20 29.686 29.780 4.944
163 HZ3 LYS 20 HZ3 LYS 20 29.609 31.150 5.870
164 H CYS 21 H CYS 21 26.663 28.073 10.388
165 HA CYS 21 HA CYS 21 25.675 28.342 13.185
166 HB2 CYS 21 HB2 CYS 21 24.214 28.550 11.096
167 HB3 CYS 21 HB3 CYS 21 24.438 26.814 10.896
168 H ILE 22 H ILE 22 26.024 26.812 14.721
169 HA ILE 22 HA ILE 22 27.067 24.138 13.906
170 HB ILE 22 HB ILE 22 28.496 25.297 15.391
171 HG12 ILE 22 HG12 ILE 22 27.224 23.103 17.054
172 HG13 ILE 22 HG13 ILE 22 28.116 22.772 15.566
173 HG21 ILE 22 HG21 ILE 22 26.135 25.478 17.307
174 HG22 ILE 22 HG22 ILE 22 27.814 25.782 17.782
175 HG23 ILE 22 HG23 ILE 22 27.071 26.807 16.577
176 HD11 ILE 22 HD11 ILE 22 29.278 24.136 18.029
177 HD12 ILE 22 HD12 ILE 22 29.570 22.483 17.488
178 HD13 ILE 22 HD13 ILE 22 30.137 23.842 16.498
179 H GLY 23 H GLY 23 24.245 25.625 15.212
180 HA2 GLY 23 HA2 GLY 23 22.354 23.895 14.454
181 HA3 GLY 23 HA3 GLY 23 22.898 23.070 15.921
182 H GLU 24 H GLU 24 21.023 25.686 14.645
183 HA GLU 24 HA GLU 24 20.133 27.617 15.473
184 HB2 GLU 24 HB2 GLU 24 19.205 25.566 17.481
185 HB3 GLU 24 HB3 GLU 24 18.636 27.248 17.517
186 HG2 GLU 24 HG2 GLU 24 17.675 27.136 15.374
187 HG3 GLU 24 HG3 GLU 24 18.463 25.614 14.994
188 H LYS 25 H LYS 25 22.815 27.490 15.999
189 HA LYS 25 HA LYS 25 23.135 29.686 17.789
190 HB2 LYS 25 HB2 LYS 25 23.150 27.405 19.243
191 HB3 LYS 25 HB3 LYS 25 24.843 27.399 18.717
192 HG2 LYS 25 HG2 LYS 25 25.058 29.744 19.555
193 HG3 LYS 25 HG3 LYS 25 23.381 29.705 20.105
194 HD2 LYS 25 HD2 LYS 25 25.561 27.823 21.037
195 HD3 LYS 25 HD3 LYS 25 25.120 29.314 21.870
196 HE2 LYS 25 HE2 LYS 25 22.933 28.515 22.429
197 HE3 LYS 25 HE3 LYS 25 23.061 27.133 21.342
198 HZ1 LYS 25 HZ1 LYS 25 23.450 26.620 23.754
199 HZ2 LYS 25 HZ2 LYS 25 24.653 26.130 22.742
200 HZ3 LYS 25 HZ3 LYS 25 24.872 27.453 23.651
201 H CYS 26 H CYS 26 25.107 30.699 17.527
202 HA CYS 26 HA CYS 26 26.490 30.281 15.021
203 HB2 CYS 26 HB2 CYS 26 25.839 32.475 15.808
204 HB3 CYS 26 HB3 CYS 26 26.700 32.242 17.317
205 H GLU 27 H GLU 27 28.632 29.862 14.606
206 HA GLU 27 HA GLU 27 30.578 29.510 16.766
207 HB2 GLU 27 HB2 GLU 27 31.432 27.505 16.114
208 HB3 GLU 27 HB3 GLU 27 29.720 27.192 16.227
209 HG2 GLU 27 HG2 GLU 27 29.499 26.979 13.859
210 HG3 GLU 27 HG3 GLU 27 31.021 27.791 13.532
211 H CYS 28 H CYS 28 32.804 29.685 16.004
212 HA CYS 28 HA CYS 28 33.026 31.340 13.524
213 HB2 CYS 28 HB2 CYS 28 34.812 31.396 15.973
214 HB3 CYS 28 HB3 CYS 28 34.838 32.485 14.582
215 H VAL 29 H VAL 29 34.964 31.154 12.226
216 HA VAL 29 HA VAL 29 35.902 28.311 12.179
217 HB VAL 29 HB VAL 29 36.162 28.709 9.699
218 HG11 VAL 29 HG11 VAL 29 33.819 28.059 9.332
219 HG12 VAL 29 HG12 VAL 29 34.509 27.214 10.725
220 HG13 VAL 29 HG13 VAL 29 33.400 28.579 10.984
221 HG21 VAL 29 HG21 VAL 29 35.663 31.256 9.861
222 HG22 VAL 29 HG22 VAL 29 34.827 30.315 8.615
223 HG23 VAL 29 HG23 VAL 29 33.970 30.763 10.095
224 HA PRO 30 HA PRO 30 39.891 30.431 12.681
225 HB2 PRO 30 HB2 PRO 30 41.148 28.670 14.296
226 HB3 PRO 30 HB3 PRO 30 39.734 29.600 14.867
227 HG2 PRO 30 HG2 PRO 30 39.737 26.772 13.744
228 HG3 PRO 30 HG3 PRO 30 39.049 27.339 15.302
229 HD2 PRO 30 HD2 PRO 30 37.536 27.113 13.034
230 HD3 PRO 30 HD3 PRO 30 37.264 28.409 14.239
231 H TYR 31 H TYR 31 39.477 29.532 10.204
232 HA TYR 31 HA TYR 31 41.272 27.337 9.446
233 HB2 TYR 31 HB2 TYR 31 39.547 29.175 7.763
234 HB3 TYR 31 HB3 TYR 31 40.402 27.752 7.189
235 HD1 TYR 31 HD1 TYR 31 37.600 28.059 6.599
236 HD2 TYR 31 HD2 TYR 31 39.440 26.312 10.092
237 HE1 TYR 31 HE1 TYR 31 35.594 26.633 6.960
238 HE2 TYR 31 HE2 TYR 31 37.425 24.917 10.455
239 HH TYR 31 HH TYR 31 34.825 24.722 8.099
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 17.438 30.790 21.393
2 H2 ALA 1 H2 ALA 1 16.385 29.716 20.726
3 H3 ALA 1 H3 ALA 1 15.833 30.854 21.780
4 HA ALA 1 HA ALA 1 15.237 31.472 19.602
5 HB1 ALA 1 HB1 ALA 1 17.469 33.221 20.711
6 HB2 ALA 1 HB2 ALA 1 16.248 33.724 19.523
7 HB3 ALA 1 HB3 ALA 1 15.753 33.287 21.167
8 H PHE 2 H PHE 2 15.633 31.507 17.441
9 HA PHE 2 HA PHE 2 17.652 29.752 16.499
10 HB2 PHE 2 HB2 PHE 2 16.025 31.684 14.826
11 HB3 PHE 2 HB3 PHE 2 16.767 30.184 14.301
12 HD1 PHE 2 HD1 PHE 2 13.723 31.638 15.229
13 HD2 PHE 2 HD2 PHE 2 15.999 28.015 15.765
14 HE1 PHE 2 HE1 PHE 2 11.669 30.450 15.916
15 HE2 PHE 2 HE2 PHE 2 13.926 26.812 16.426
16 HZ PHE 2 HZ PHE 2 11.762 28.045 16.540
17 H CYS 3 H CYS 3 19.234 30.076 14.813
18 HA CYS 3 HA CYS 3 21.077 32.210 15.624
19 HB2 CYS 3 HB2 CYS 3 21.819 29.962 15.415
20 HB3 CYS 3 HB3 CYS 3 21.287 29.851 13.743
21 H ASN 4 H ASN 4 22.072 33.758 14.327
22 HA ASN 4 HA ASN 4 20.655 34.545 11.809
23 HB2 ASN 4 HB2 ASN 4 21.944 36.347 13.859
24 HB3 ASN 4 HB3 ASN 4 21.017 36.859 12.451
25 HD21 ASN 4 HD21 ASN 4 19.215 35.709 15.945
26 HD22 ASN 4 HD22 ASN 4 20.926 35.400 15.666
27 H LEU 5 H LEU 5 22.029 34.543 10.010
28 HA LEU 5 HA LEU 5 24.672 33.468 10.389
29 HB2 LEU 5 HB2 LEU 5 23.375 32.778 8.533
30 HB3 LEU 5 HB3 LEU 5 23.107 34.431 7.979
31 HG LEU 5 HG LEU 5 25.526 34.641 7.396
32 HD11 LEU 5 HD11 LEU 5 26.902 32.578 7.253
33 HD12 LEU 5 HD12 LEU 5 26.534 33.007 8.923
34 HD13 LEU 5 HD13 LEU 5 25.642 31.687 8.131
35 HD21 LEU 5 HD21 LEU 5 23.885 33.996 5.713
36 HD22 LEU 5 HD22 LEU 5 25.437 33.195 5.424
37 HD23 LEU 5 HD23 LEU 5 24.087 32.287 6.146
38 H ARG 6 H ARG 6 23.610 36.648 9.077
39 HA ARG 6 HA ARG 6 26.369 37.544 8.765
40 HB2 ARG 6 HB2 ARG 6 23.727 39.030 8.678
41 HB3 ARG 6 HB3 ARG 6 25.284 39.713 8.189
42 HG2 ARG 6 HG2 ARG 6 23.771 37.407 6.870
43 HG3 ARG 6 HG3 ARG 6 24.026 39.023 6.227
44 HD2 ARG 6 HD2 ARG 6 26.487 38.558 6.135
45 HD3 ARG 6 HD3 ARG 6 26.168 36.898 6.668
46 HE ARG 6 HE ARG 6 24.559 37.423 4.369
47 HH11 ARG 6 HH11 ARG 6 27.988 36.832 5.055
48 HH12 ARG 6 HH12 ARG 6 28.270 36.394 3.388
49 HH21 ARG 6 HH21 ARG 6 25.020 36.848 2.415
50 HH22 ARG 6 HH22 ARG 6 26.668 36.548 1.861
51 H ARG 7 H ARG 7 24.005 37.925 11.362
52 HA ARG 7 HA ARG 7 25.618 39.528 13.106
53 HB2 ARG 7 HB2 ARG 7 23.135 38.811 13.292
54 HB3 ARG 7 HB3 ARG 7 23.761 37.297 13.952
55 HG2 ARG 7 HG2 ARG 7 24.698 38.365 15.865
56 HG3 ARG 7 HG3 ARG 7 24.414 39.982 15.201
57 HD2 ARG 7 HD2 ARG 7 22.234 37.986 15.972
58 HD3 ARG 7 HD3 ARG 7 22.754 39.370 16.956
59 HE ARG 7 HE ARG 7 22.189 40.561 14.576
60 HH11 ARG 7 HH11 ARG 7 20.012 38.587 16.580
61 HH12 ARG 7 HH12 ARG 7 18.659 39.073 15.573
62 HH21 ARG 7 HH21 ARG 7 20.507 41.113 13.537
63 HH22 ARG 7 HH22 ARG 7 18.889 40.658 14.050
64 H CYS 8 H CYS 8 25.581 35.990 12.543
65 HA CYS 8 HA CYS 8 27.568 35.426 14.550
66 HB2 CYS 8 HB2 CYS 8 25.984 33.778 13.586
67 HB3 CYS 8 HB3 CYS 8 26.828 33.877 12.041
68 H GLU 9 H GLU 9 27.814 36.145 11.016
69 HA GLU 9 HA GLU 9 30.676 36.008 10.888
70 HB2 GLU 9 HB2 GLU 9 28.644 37.595 9.261
71 HB3 GLU 9 HB3 GLU 9 30.374 37.601 8.931
72 HG2 GLU 9 HG2 GLU 9 30.331 35.114 8.710
73 HG3 GLU 9 HG3 GLU 9 28.568 35.164 8.849
74 H LEU 10 H LEU 10 28.537 38.683 11.921
75 HA LEU 10 HA LEU 10 30.614 40.629 12.344
76 HB2 LEU 10 HB2 LEU 10 28.227 41.207 12.128
77 HB3 LEU 10 HB3 LEU 10 27.844 40.223 13.528
78 HG LEU 10 HG LEU 10 29.267 41.777 14.925
79 HD11 LEU 10 HD11 LEU 10 29.655 44.035 14.041
80 HD12 LEU 10 HD12 LEU 10 30.556 42.847 13.090
81 HD13 LEU 10 HD13 LEU 10 29.044 43.543 12.450
82 HD21 LEU 10 HD21 LEU 10 26.819 42.896 13.510
83 HD22 LEU 10 HD22 LEU 10 26.827 41.838 14.944
84 HD23 LEU 10 HD23 LEU 10 27.485 43.473 15.054
85 H SER 11 H SER 11 29.071 38.241 14.496
86 HA SER 11 HA SER 11 30.334 38.834 16.933
87 HB2 SER 11 HB2 SER 11 28.404 37.236 16.477
88 HB3 SER 11 HB3 SER 11 29.592 36.054 15.930
89 HG SER 11 HG SER 11 28.954 35.785 18.089
90 H CYS 12 H CYS 12 31.472 36.747 14.276
91 HA CYS 12 HA CYS 12 33.922 35.978 15.671
92 HB2 CYS 12 HB2 CYS 12 32.993 35.505 12.828
93 HB3 CYS 12 HB3 CYS 12 34.323 34.680 13.637
94 H ARG 13 H ARG 13 33.004 38.504 13.366
95 HA ARG 13 HA ARG 13 35.672 39.149 12.466
96 HB2 ARG 13 HB2 ARG 13 33.507 39.904 11.422
97 HB3 ARG 13 HB3 ARG 13 33.362 41.120 12.689
98 HG2 ARG 13 HG2 ARG 13 35.334 42.266 11.908
99 HG3 ARG 13 HG3 ARG 13 35.836 40.890 10.921
100 HD2 ARG 13 HD2 ARG 13 33.991 41.209 9.373
101 HD3 ARG 13 HD3 ARG 13 33.311 42.479 10.394
102 HE ARG 13 HE ARG 13 35.129 43.946 9.844
103 HH11 ARG 13 HH11 ARG 13 35.211 41.080 7.709
104 HH12 ARG 13 HH12 ARG 13 35.927 41.999 6.435
105 HH21 ARG 13 HH21 ARG 13 36.111 44.972 8.152
106 HH22 ARG 13 HH22 ARG 13 36.492 44.093 6.704
107 H SER 14 H SER 14 34.021 39.978 15.478
108 HA SER 14 HA SER 14 35.980 41.822 16.481
109 HB2 SER 14 HB2 SER 14 34.340 39.807 18.063
110 HB3 SER 14 HB3 SER 14 35.112 41.278 18.683
111 HG SER 14 HG SER 14 33.122 41.997 18.290
112 H LEU 15 H LEU 15 36.289 38.449 15.827
113 HA LEU 15 HA LEU 15 38.614 38.087 17.656
114 HB2 LEU 15 HB2 LEU 15 37.296 35.965 15.960
115 HB3 LEU 15 HB3 LEU 15 38.286 35.758 17.396
116 HG LEU 15 HG LEU 15 35.433 36.811 17.287
117 HD11 LEU 15 HD11 LEU 15 35.668 34.401 16.805
118 HD12 LEU 15 HD12 LEU 15 36.551 34.180 18.331
119 HD13 LEU 15 HD13 LEU 15 34.848 34.689 18.347
120 HD21 LEU 15 HD21 LEU 15 35.472 36.605 19.762
121 HD22 LEU 15 HD22 LEU 15 37.198 36.185 19.707
122 HD23 LEU 15 HD23 LEU 15 36.650 37.801 19.215
123 H GLY 16 H GLY 16 37.759 38.343 14.247
124 HA2 GLY 16 HA2 GLY 16 39.351 38.844 12.522
125 HA3 GLY 16 HA3 GLY 16 40.615 38.011 13.419
126 H LEU 17 H LEU 17 37.363 36.624 12.937
127 HA LEU 17 HA LEU 17 38.211 34.933 10.678
128 HB2 LEU 17 HB2 LEU 17 37.421 32.893 11.966
129 HB3 LEU 17 HB3 LEU 17 39.062 33.459 12.172
130 HG LEU 17 HG LEU 17 36.962 34.210 14.220
131 HD11 LEU 17 HD11 LEU 17 38.625 31.657 14.251
132 HD12 LEU 17 HD12 LEU 17 37.453 32.189 15.468
133 HD13 LEU 17 HD13 LEU 17 36.908 31.711 13.857
134 HD21 LEU 17 HD21 LEU 17 38.939 34.014 15.769
135 HD22 LEU 17 HD22 LEU 17 39.972 33.614 14.389
136 HD23 LEU 17 HD23 LEU 17 39.242 35.212 14.513
137 H LEU 18 H LEU 18 36.374 33.513 9.882
138 HA LEU 18 HA LEU 18 33.906 35.152 9.843
139 HB2 LEU 18 HB2 LEU 18 34.941 32.817 8.215
140 HB3 LEU 18 HB3 LEU 18 33.266 33.318 8.091
141 HG LEU 18 HG LEU 18 35.589 35.220 7.597
142 HD11 LEU 18 HD11 LEU 18 33.911 33.617 5.628
143 HD12 LEU 18 HD12 LEU 18 35.117 34.853 5.196
144 HD13 LEU 18 HD13 LEU 18 35.634 33.352 5.978
145 HD21 LEU 18 HD21 LEU 18 33.447 36.348 8.098
146 HD22 LEU 18 HD22 LEU 18 33.860 36.525 6.391
147 HD23 LEU 18 HD23 LEU 18 32.623 35.351 6.879
148 H GLY 19 H GLY 19 31.795 33.796 9.705
149 HA2 GLY 19 HA2 GLY 19 31.654 31.715 11.787
150 HA3 GLY 19 HA3 GLY 19 30.753 33.200 12.078
151 H LYS 20 H LYS 20 29.627 30.699 12.007
152 HA LYS 20 HA LYS 20 27.473 31.014 10.089
153 HB2 LYS 20 HB2 LYS 20 27.763 28.571 9.237
154 HB3 LYS 20 HB3 LYS 20 28.631 29.891 8.479
155 HG2 LYS 20 HG2 LYS 20 30.015 27.950 8.656
156 HG3 LYS 20 HG3 LYS 20 30.709 29.261 9.611
157 HD2 LYS 20 HD2 LYS 20 29.693 28.179 11.658
158 HD3 LYS 20 HD3 LYS 20 29.173 26.831 10.639
159 HE2 LYS 20 HE2 LYS 20 32.026 27.796 11.181
160 HE3 LYS 20 HE3 LYS 20 31.279 26.348 11.862
161 HZ1 LYS 20 HZ1 LYS 20 32.698 25.787 10.007
162 HZ2 LYS 20 HZ2 LYS 20 31.169 25.412 9.615
163 HZ3 LYS 20 HZ3 LYS 20 31.874 26.760 8.974
164 H CYS 21 H CYS 21 25.720 29.379 10.369
165 HA CYS 21 HA CYS 21 25.407 28.770 13.239
166 HB2 CYS 21 HB2 CYS 21 23.508 28.445 10.902
167 HB3 CYS 21 HB3 CYS 21 23.094 28.289 12.607
168 H ILE 22 H ILE 22 25.997 26.811 14.061
169 HA ILE 22 HA ILE 22 26.506 24.533 12.237
170 HB ILE 22 HB ILE 22 28.143 25.433 13.944
171 HG12 ILE 22 HG12 ILE 22 27.594 22.444 14.163
172 HG13 ILE 22 HG13 ILE 22 28.291 23.224 12.739
173 HG21 ILE 22 HG21 ILE 22 26.522 25.587 15.858
174 HG22 ILE 22 HG22 ILE 22 26.487 23.813 15.935
175 HG23 ILE 22 HG23 ILE 22 27.985 24.698 16.256
176 HD11 ILE 22 HD11 ILE 22 30.070 22.304 14.081
177 HD12 ILE 22 HD12 ILE 22 30.170 24.075 14.144
178 HD13 ILE 22 HD13 ILE 22 29.510 23.165 15.525
179 H GLY 23 H GLY 23 23.936 25.515 14.065
180 HA2 GLY 23 HA2 GLY 23 22.077 23.569 13.719
181 HA3 GLY 23 HA3 GLY 23 22.984 22.936 15.106
182 H GLU 24 H GLU 24 21.558 26.015 14.001
183 HA GLU 24 HA GLU 24 20.748 27.826 15.030
184 HB2 GLU 24 HB2 GLU 24 19.570 25.955 17.102
185 HB3 GLU 24 HB3 GLU 24 19.079 27.616 16.801
186 HG2 GLU 24 HG2 GLU 24 18.795 25.305 14.865
187 HG3 GLU 24 HG3 GLU 24 17.524 26.035 15.835
188 H LYS 25 H LYS 25 23.327 26.592 16.151
189 HA LYS 25 HA LYS 25 23.815 28.738 18.172
190 HB2 LYS 25 HB2 LYS 25 24.081 26.471 19.095
191 HB3 LYS 25 HB3 LYS 25 25.146 26.021 17.774
192 HG2 LYS 25 HG2 LYS 25 26.427 26.414 19.768
193 HG3 LYS 25 HG3 LYS 25 26.853 27.638 18.572
194 HD2 LYS 25 HD2 LYS 25 25.588 29.344 19.758
195 HD3 LYS 25 HD3 LYS 25 24.784 28.124 20.755
196 HE2 LYS 25 HE2 LYS 25 26.416 29.158 22.124
197 HE3 LYS 25 HE3 LYS 25 26.974 27.520 21.782
198 HZ1 LYS 25 HZ1 LYS 25 28.497 28.462 20.121
199 HZ2 LYS 25 HZ2 LYS 25 27.942 29.997 20.471
200 HZ3 LYS 25 HZ3 LYS 25 28.740 29.120 21.597
201 H CYS 26 H CYS 26 25.199 30.303 17.518
202 HA CYS 26 HA CYS 26 26.581 30.216 14.938
203 HB2 CYS 26 HB2 CYS 26 25.715 32.322 15.669
204 HB3 CYS 26 HB3 CYS 26 26.445 32.150 17.261
205 H GLU 27 H GLU 27 28.600 29.435 14.548
206 HA GLU 27 HA GLU 27 30.701 29.752 16.615
207 HB2 GLU 27 HB2 GLU 27 30.252 27.295 14.875
208 HB3 GLU 27 HB3 GLU 27 31.661 27.560 15.900
209 HG2 GLU 27 HG2 GLU 27 28.790 27.324 16.871
210 HG3 GLU 27 HG3 GLU 27 30.001 26.074 16.863
211 H CYS 28 H CYS 28 32.846 29.575 15.753
212 HA CYS 28 HA CYS 28 33.021 31.125 13.221
213 HB2 CYS 28 HB2 CYS 28 34.924 31.208 15.548
214 HB3 CYS 28 HB3 CYS 28 34.847 32.312 14.175
215 H VAL 29 H VAL 29 35.227 31.100 12.147
216 HA VAL 29 HA VAL 29 36.282 28.311 12.042
217 HB VAL 29 HB VAL 29 36.756 28.689 9.679
218 HG11 VAL 29 HG11 VAL 29 34.437 28.207 9.043
219 HG12 VAL 29 HG12 VAL 29 34.859 27.377 10.550
220 HG13 VAL 29 HG13 VAL 29 33.853 28.841 10.601
221 HG21 VAL 29 HG21 VAL 29 34.768 30.978 9.850
222 HG22 VAL 29 HG22 VAL 29 36.509 31.227 9.606
223 HG23 VAL 29 HG23 VAL 29 35.562 30.337 8.409
224 HA PRO 30 HA PRO 30 40.146 30.447 13.057
225 HB2 PRO 30 HB2 PRO 30 41.353 28.535 14.555
226 HB3 PRO 30 HB3 PRO 30 39.963 29.479 15.151
227 HG2 PRO 30 HG2 PRO 30 39.900 26.727 13.871
228 HG3 PRO 30 HG3 PRO 30 39.169 27.236 15.429
229 HD2 PRO 30 HD2 PRO 30 37.743 27.154 13.102
230 HD3 PRO 30 HD3 PRO 30 37.440 28.407 14.346
231 H TYR 31 H TYR 31 39.765 29.589 10.471
232 HA TYR 31 HA TYR 31 42.057 27.913 9.637
233 HB2 TYR 31 HB2 TYR 31 40.057 29.394 7.922
234 HB3 TYR 31 HB3 TYR 31 41.145 28.110 7.424
235 HD1 TYR 31 HD1 TYR 31 38.207 28.238 6.861
236 HD2 TYR 31 HD2 TYR 31 40.363 26.383 10.105
237 HE1 TYR 31 HE1 TYR 31 36.325 26.658 7.213
238 HE2 TYR 31 HE2 TYR 31 38.453 24.846 10.493
239 HH TYR 31 HH TYR 31 35.444 25.065 8.542
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 18.124 33.481 20.631
2 H2 ALA 1 H2 ALA 1 16.860 33.237 21.641
3 H3 ALA 1 H3 ALA 1 16.568 33.636 20.088
4 HA ALA 1 HA ALA 1 17.867 31.174 20.995
5 HB1 ALA 1 HB1 ALA 1 15.021 31.494 19.970
6 HB2 ALA 1 HB2 ALA 1 15.843 29.972 20.352
7 HB3 ALA 1 HB3 ALA 1 15.515 31.145 21.639
8 H PHE 2 H PHE 2 15.987 32.158 17.985
9 HA PHE 2 HA PHE 2 17.458 30.395 16.347
10 HB2 PHE 2 HB2 PHE 2 16.276 33.034 15.419
11 HB3 PHE 2 HB3 PHE 2 16.605 31.619 14.450
12 HD1 PHE 2 HD1 PHE 2 15.162 29.554 14.690
13 HD2 PHE 2 HD2 PHE 2 14.224 33.297 16.617
14 HE1 PHE 2 HE1 PHE 2 12.781 28.869 14.875
15 HE2 PHE 2 HE2 PHE 2 11.868 32.594 16.847
16 HZ PHE 2 HZ PHE 2 11.121 30.398 15.914
17 H CYS 3 H CYS 3 19.439 30.427 15.371
18 HA CYS 3 HA CYS 3 21.257 32.696 15.812
19 HB2 CYS 3 HB2 CYS 3 22.936 31.299 14.848
20 HB3 CYS 3 HB3 CYS 3 22.009 30.349 15.998
21 H ASN 4 H ASN 4 22.499 33.680 14.026
22 HA ASN 4 HA ASN 4 21.230 33.710 11.352
23 HB2 ASN 4 HB2 ASN 4 21.236 36.004 13.335
24 HB3 ASN 4 HB3 ASN 4 21.538 36.375 11.648
25 HD21 ASN 4 HD21 ASN 4 18.344 35.252 10.487
26 HD22 ASN 4 HD22 ASN 4 20.055 35.313 10.049
27 H LEU 5 H LEU 5 22.696 33.764 9.759
28 HA LEU 5 HA LEU 5 25.448 33.478 10.481
29 HB2 LEU 5 HB2 LEU 5 24.103 33.809 7.796
30 HB3 LEU 5 HB3 LEU 5 25.770 33.289 8.017
31 HG LEU 5 HG LEU 5 23.331 31.772 9.058
32 HD11 LEU 5 HD11 LEU 5 23.812 30.164 7.281
33 HD12 LEU 5 HD12 LEU 5 23.465 31.765 6.609
34 HD13 LEU 5 HD13 LEU 5 25.142 31.191 6.694
35 HD21 LEU 5 HD21 LEU 5 25.320 31.297 10.426
36 HD22 LEU 5 HD22 LEU 5 24.909 29.917 9.408
37 HD23 LEU 5 HD23 LEU 5 26.266 30.972 8.950
38 H ARG 6 H ARG 6 23.726 36.302 9.066
39 HA ARG 6 HA ARG 6 26.146 37.765 8.478
40 HB2 ARG 6 HB2 ARG 6 23.909 38.308 7.527
41 HB3 ARG 6 HB3 ARG 6 23.365 38.853 9.109
42 HG2 ARG 6 HG2 ARG 6 25.076 40.630 9.117
43 HG3 ARG 6 HG3 ARG 6 25.712 40.043 7.562
44 HD2 ARG 6 HD2 ARG 6 23.629 40.637 6.436
45 HD3 ARG 6 HD3 ARG 6 22.870 41.051 7.979
46 HE ARG 6 HE ARG 6 24.092 43.040 8.105
47 HH11 ARG 6 HH11 ARG 6 25.140 41.383 5.160
48 HH12 ARG 6 HH12 ARG 6 25.717 42.903 4.498
49 HH21 ARG 6 HH21 ARG 6 25.210 44.791 7.259
50 HH22 ARG 6 HH22 ARG 6 25.852 44.625 5.637
51 H ARG 7 H ARG 7 24.076 37.693 11.350
52 HA ARG 7 HA ARG 7 25.639 39.529 12.963
53 HB2 ARG 7 HB2 ARG 7 23.186 38.993 13.216
54 HB3 ARG 7 HB3 ARG 7 23.619 37.383 13.762
55 HG2 ARG 7 HG2 ARG 7 23.040 38.710 15.652
56 HG3 ARG 7 HG3 ARG 7 24.772 38.377 15.743
57 HD2 ARG 7 HD2 ARG 7 25.305 40.635 15.044
58 HD3 ARG 7 HD3 ARG 7 23.613 40.975 14.667
59 HE ARG 7 HE ARG 7 24.779 40.586 17.414
60 HH11 ARG 7 HH11 ARG 7 22.185 42.085 15.473
61 HH12 ARG 7 HH12 ARG 7 21.461 42.719 16.931
62 HH21 ARG 7 HH21 ARG 7 23.594 41.386 19.161
63 HH22 ARG 7 HH22 ARG 7 22.271 42.488 18.821
64 H CYS 8 H CYS 8 25.511 35.974 12.741
65 HA CYS 8 HA CYS 8 27.436 35.415 14.759
66 HB2 CYS 8 HB2 CYS 8 25.887 33.789 13.760
67 HB3 CYS 8 HB3 CYS 8 26.726 33.918 12.215
68 H GLU 9 H GLU 9 27.922 36.031 11.220
69 HA GLU 9 HA GLU 9 30.773 35.782 11.275
70 HB2 GLU 9 HB2 GLU 9 28.841 37.273 9.463
71 HB3 GLU 9 HB3 GLU 9 30.592 37.382 9.237
72 HG2 GLU 9 HG2 GLU 9 30.809 35.035 8.873
73 HG3 GLU 9 HG3 GLU 9 29.139 34.714 9.346
74 H LEU 10 H LEU 10 28.675 38.646 11.871
75 HA LEU 10 HA LEU 10 30.792 40.525 12.299
76 HB2 LEU 10 HB2 LEU 10 28.548 41.238 11.786
77 HB3 LEU 10 HB3 LEU 10 27.887 40.364 13.162
78 HG LEU 10 HG LEU 10 29.028 41.904 14.728
79 HD11 LEU 10 HD11 LEU 10 29.774 43.450 12.204
80 HD12 LEU 10 HD12 LEU 10 29.974 44.016 13.874
81 HD13 LEU 10 HD13 LEU 10 30.922 42.643 13.300
82 HD21 LEU 10 HD21 LEU 10 27.294 43.276 12.641
83 HD22 LEU 10 HD22 LEU 10 26.711 42.328 14.026
84 HD23 LEU 10 HD23 LEU 10 27.584 43.844 14.298
85 H SER 11 H SER 11 29.109 38.324 14.550
86 HA SER 11 HA SER 11 30.359 39.212 16.960
87 HB2 SER 11 HB2 SER 11 28.309 37.801 16.745
88 HB3 SER 11 HB3 SER 11 29.325 36.431 16.273
89 HG SER 11 HG SER 11 29.989 36.198 18.268
90 H CYS 12 H CYS 12 31.383 36.823 14.538
91 HA CYS 12 HA CYS 12 33.828 36.063 15.945
92 HB2 CYS 12 HB2 CYS 12 32.800 35.555 13.136
93 HB3 CYS 12 HB3 CYS 12 34.222 34.791 13.838
94 H ARG 13 H ARG 13 32.942 38.549 13.637
95 HA ARG 13 HA ARG 13 35.438 39.089 12.416
96 HB2 ARG 13 HB2 ARG 13 33.105 40.037 11.907
97 HB3 ARG 13 HB3 ARG 13 33.408 41.235 13.160
98 HG2 ARG 13 HG2 ARG 13 35.294 42.131 11.919
99 HG3 ARG 13 HG3 ARG 13 35.245 40.798 10.754
100 HD2 ARG 13 HD2 ARG 13 32.956 42.767 11.172
101 HD3 ARG 13 HD3 ARG 13 34.231 42.980 9.966
102 HE ARG 13 HE ARG 13 33.457 40.622 9.133
103 HH11 ARG 13 HH11 ARG 13 31.356 43.312 9.875
104 HH12 ARG 13 HH12 ARG 13 30.010 42.587 9.043
105 HH21 ARG 13 HH21 ARG 13 31.693 39.818 7.991
106 HH22 ARG 13 HH22 ARG 13 30.156 40.608 8.186
107 H SER 14 H SER 14 34.291 40.123 15.598
108 HA SER 14 HA SER 14 36.481 41.778 16.349
109 HB2 SER 14 HB2 SER 14 34.789 39.961 18.101
110 HB3 SER 14 HB3 SER 14 35.731 41.373 18.629
111 HG SER 14 HG SER 14 34.420 42.688 17.307
112 H LEU 15 H LEU 15 36.495 38.364 15.809
113 HA LEU 15 HA LEU 15 38.987 37.937 17.385
114 HB2 LEU 15 HB2 LEU 15 37.375 35.876 15.862
115 HB3 LEU 15 HB3 LEU 15 38.553 35.606 17.131
116 HG LEU 15 HG LEU 15 35.776 36.793 17.461
117 HD11 LEU 15 HD11 LEU 15 35.295 34.720 18.650
118 HD12 LEU 15 HD12 LEU 15 35.859 34.365 17.010
119 HD13 LEU 15 HD13 LEU 15 36.958 34.146 18.392
120 HD21 LEU 15 HD21 LEU 15 36.231 36.620 19.907
121 HD22 LEU 15 HD22 LEU 15 37.912 36.171 19.564
122 HD23 LEU 15 HD23 LEU 15 37.305 37.787 19.141
123 H GLY 16 H GLY 16 37.901 38.482 14.149
124 HA2 GLY 16 HA2 GLY 16 39.379 39.066 12.373
125 HA3 GLY 16 HA3 GLY 16 40.608 37.972 13.011
126 H LEU 17 H LEU 17 37.417 36.622 12.995
127 HA LEU 17 HA LEU 17 37.846 35.156 10.435
128 HB2 LEU 17 HB2 LEU 17 37.214 33.071 11.765
129 HB3 LEU 17 HB3 LEU 17 38.877 33.621 11.720
130 HG LEU 17 HG LEU 17 37.172 34.391 14.084
131 HD11 LEU 17 HD11 LEU 17 37.726 32.307 15.210
132 HD12 LEU 17 HD12 LEU 17 36.869 31.919 13.710
133 HD13 LEU 17 HD13 LEU 17 38.618 31.728 13.786
134 HD21 LEU 17 HD21 LEU 17 39.590 35.183 13.853
135 HD22 LEU 17 HD22 LEU 17 39.332 34.159 15.272
136 HD23 LEU 17 HD23 LEU 17 40.105 33.505 13.817
137 H LEU 18 H LEU 18 35.971 33.736 9.888
138 HA LEU 18 HA LEU 18 33.497 35.378 10.200
139 HB2 LEU 18 HB2 LEU 18 34.474 33.385 8.155
140 HB3 LEU 18 HB3 LEU 18 32.753 33.653 8.348
141 HG LEU 18 HG LEU 18 33.178 36.154 8.088
142 HD11 LEU 18 HD11 LEU 18 35.592 36.294 8.407
143 HD12 LEU 18 HD12 LEU 18 35.867 35.123 7.094
144 HD13 LEU 18 HD13 LEU 18 35.212 36.740 6.745
145 HD21 LEU 18 HD21 LEU 18 33.812 34.333 5.742
146 HD22 LEU 18 HD22 LEU 18 32.193 34.767 6.335
147 HD23 LEU 18 HD23 LEU 18 33.238 36.009 5.647
148 H GLY 19 H GLY 19 31.451 33.845 9.989
149 HA2 GLY 19 HA2 GLY 19 31.481 31.906 12.242
150 HA3 GLY 19 HA3 GLY 19 30.320 33.219 12.185
151 H LYS 20 H LYS 20 30.038 30.322 12.196
152 HA LYS 20 HA LYS 20 28.214 29.829 9.856
153 HB2 LYS 20 HB2 LYS 20 30.227 27.978 11.134
154 HB3 LYS 20 HB3 LYS 20 28.866 27.454 10.130
155 HG2 LYS 20 HG2 LYS 20 29.714 28.849 8.240
156 HG3 LYS 20 HG3 LYS 20 31.152 29.262 9.213
157 HD2 LYS 20 HD2 LYS 20 31.710 26.898 9.448
158 HD3 LYS 20 HD3 LYS 20 30.192 26.453 8.650
159 HE2 LYS 20 HE2 LYS 20 30.967 27.553 6.555
160 HE3 LYS 20 HE3 LYS 20 32.534 27.872 7.314
161 HZ1 LYS 20 HZ1 LYS 20 31.359 25.169 6.892
162 HZ2 LYS 20 HZ2 LYS 20 32.554 25.844 5.969
163 HZ3 LYS 20 HZ3 LYS 20 32.828 25.462 7.547
164 H CYS 21 H CYS 21 26.394 28.444 10.389
165 HA CYS 21 HA CYS 21 26.075 27.659 13.215
166 HB2 CYS 21 HB2 CYS 21 25.005 29.879 13.156
167 HB3 CYS 21 HB3 CYS 21 23.980 29.339 11.816
168 H ILE 22 H ILE 22 25.562 25.637 13.286
169 HA ILE 22 HA ILE 22 24.396 24.115 11.081
170 HB ILE 22 HB ILE 22 24.893 23.477 14.008
171 HG12 ILE 22 HG12 ILE 22 26.201 22.267 11.537
172 HG13 ILE 22 HG13 ILE 22 26.837 23.712 12.315
173 HG21 ILE 22 HG21 ILE 22 22.964 22.117 13.341
174 HG22 ILE 22 HG22 ILE 22 23.798 21.612 11.853
175 HG23 ILE 22 HG23 ILE 22 24.380 21.092 13.444
176 HD11 ILE 22 HD11 ILE 22 28.079 21.822 13.111
177 HD12 ILE 22 HD12 ILE 22 27.092 22.432 14.453
178 HD13 ILE 22 HD13 ILE 22 26.610 20.958 13.583
179 H GLY 23 H GLY 23 23.210 25.195 14.194
180 HA2 GLY 23 HA2 GLY 23 20.743 26.285 13.606
181 HA3 GLY 23 HA3 GLY 23 20.408 24.562 13.849
182 H GLU 24 H GLU 24 19.984 27.174 15.520
183 HA GLU 24 HA GLU 24 20.046 27.949 17.618
184 HB2 GLU 24 HB2 GLU 24 20.535 25.173 18.689
185 HB3 GLU 24 HB3 GLU 24 19.686 26.515 19.426
186 HG2 GLU 24 HG2 GLU 24 17.842 25.411 18.820
187 HG3 GLU 24 HG3 GLU 24 18.079 26.177 17.257
188 H LYS 25 H LYS 25 22.875 26.922 16.350
189 HA LYS 25 HA LYS 25 24.552 27.824 18.637
190 HB2 LYS 25 HB2 LYS 25 24.273 25.383 18.750
191 HB3 LYS 25 HB3 LYS 25 24.792 25.212 17.079
192 HG2 LYS 25 HG2 LYS 25 26.557 24.593 18.651
193 HG3 LYS 25 HG3 LYS 25 27.074 25.962 17.669
194 HD2 LYS 25 HD2 LYS 25 26.689 27.516 19.486
195 HD3 LYS 25 HD3 LYS 25 25.850 26.261 20.427
196 HE2 LYS 25 HE2 LYS 25 27.923 25.001 20.681
197 HE3 LYS 25 HE3 LYS 25 28.793 26.148 19.650
198 HZ1 LYS 25 HZ1 LYS 25 28.382 27.871 21.270
199 HZ2 LYS 25 HZ2 LYS 25 27.486 26.901 22.214
200 HZ3 LYS 25 HZ3 LYS 25 29.126 26.623 22.014
201 H CYS 26 H CYS 26 25.390 29.634 17.742
202 HA CYS 26 HA CYS 26 26.653 29.623 15.057
203 HB2 CYS 26 HB2 CYS 26 25.584 31.697 15.592
204 HB3 CYS 26 HB3 CYS 26 26.179 31.663 17.246
205 H GLU 27 H GLU 27 28.834 29.421 14.723
206 HA GLU 27 HA GLU 27 30.751 29.908 16.870
207 HB2 GLU 27 HB2 GLU 27 31.918 27.798 16.725
208 HB3 GLU 27 HB3 GLU 27 30.261 27.533 17.281
209 HG2 GLU 27 HG2 GLU 27 29.604 26.719 15.077
210 HG3 GLU 27 HG3 GLU 27 31.156 27.169 14.383
211 H CYS 28 H CYS 28 33.002 29.921 16.068
212 HA CYS 28 HA CYS 28 32.940 31.323 13.503
213 HB2 CYS 28 HB2 CYS 28 35.123 31.318 15.588
214 HB3 CYS 28 HB3 CYS 28 34.873 32.459 14.260
215 H VAL 29 H VAL 29 35.026 31.284 12.211
216 HA VAL 29 HA VAL 29 35.958 28.465 11.838
217 HB VAL 29 HB VAL 29 36.053 29.001 9.434
218 HG11 VAL 29 HG11 VAL 29 33.646 28.543 9.170
219 HG12 VAL 29 HG12 VAL 29 34.335 27.603 10.504
220 HG13 VAL 29 HG13 VAL 29 33.349 29.026 10.866
221 HG21 VAL 29 HG21 VAL 29 34.950 30.772 8.450
222 HG22 VAL 29 HG22 VAL 29 33.943 31.098 9.862
223 HG23 VAL 29 HG23 VAL 29 35.638 31.605 9.859
224 HA PRO 30 HA PRO 30 40.005 30.457 12.383
225 HB2 PRO 30 HB2 PRO 30 40.615 27.779 13.616
226 HB3 PRO 30 HB3 PRO 30 41.011 29.421 14.198
227 HG2 PRO 30 HG2 PRO 30 39.018 27.952 15.315
228 HG3 PRO 30 HG3 PRO 30 38.794 29.709 15.036
229 HD2 PRO 30 HD2 PRO 30 37.895 27.398 13.272
230 HD3 PRO 30 HD3 PRO 30 36.948 28.782 13.893
231 H TYR 31 H TYR 31 39.478 29.883 9.864
232 HA TYR 31 HA TYR 31 41.081 27.631 8.833
233 HB2 TYR 31 HB2 TYR 31 39.562 29.815 7.385
234 HB3 TYR 31 HB3 TYR 31 40.280 28.390 6.648
235 HD1 TYR 31 HD1 TYR 31 39.181 26.692 9.333
236 HD2 TYR 31 HD2 TYR 31 37.502 29.086 6.150
237 HE1 TYR 31 HE1 TYR 31 37.031 25.511 9.581
238 HE2 TYR 31 HE2 TYR 31 35.334 27.884 6.412
239 HH TYR 31 HH TYR 31 34.837 25.581 9.086
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 14.564 29.207 18.806
2 H2 ALA 1 H2 ALA 1 16.199 29.222 18.620
3 H3 ALA 1 H3 ALA 1 15.275 28.204 17.702
4 HA ALA 1 HA ALA 1 14.206 30.089 16.633
5 HB1 ALA 1 HB1 ALA 1 15.350 32.320 16.972
6 HB2 ALA 1 HB2 ALA 1 14.422 31.754 18.375
7 HB3 ALA 1 HB3 ALA 1 16.196 31.628 18.362
8 H PHE 2 H PHE 2 14.987 30.394 14.490
9 HA PHE 2 HA PHE 2 17.335 29.041 13.700
10 HB2 PHE 2 HB2 PHE 2 15.907 31.259 12.213
11 HB3 PHE 2 HB3 PHE 2 17.028 30.083 11.518
12 HD1 PHE 2 HD1 PHE 2 13.624 30.789 11.944
13 HD2 PHE 2 HD2 PHE 2 16.393 27.492 12.128
14 HE1 PHE 2 HE1 PHE 2 11.764 29.205 11.731
15 HE2 PHE 2 HE2 PHE 2 14.511 25.906 11.919
16 HZ PHE 2 HZ PHE 2 12.173 26.743 11.726
17 H CYS 3 H CYS 3 19.348 29.715 12.852
18 HA CYS 3 HA CYS 3 20.668 31.314 14.797
19 HB2 CYS 3 HB2 CYS 3 22.708 30.786 13.573
20 HB3 CYS 3 HB3 CYS 3 21.686 29.383 13.797
21 H ASN 4 H ASN 4 21.612 33.267 14.821
22 HA ASN 4 HA ASN 4 20.722 35.286 12.813
23 HB2 ASN 4 HB2 ASN 4 22.106 35.713 15.491
24 HB3 ASN 4 HB3 ASN 4 21.351 36.923 14.477
25 HD21 ASN 4 HD21 ASN 4 17.991 36.093 15.443
26 HD22 ASN 4 HD22 ASN 4 18.947 36.767 14.137
27 H LEU 5 H LEU 5 22.131 34.152 11.277
28 HA LEU 5 HA LEU 5 24.915 33.750 11.737
29 HB2 LEU 5 HB2 LEU 5 23.610 32.411 10.203
30 HB3 LEU 5 HB3 LEU 5 23.274 33.810 9.181
31 HG LEU 5 HG LEU 5 25.678 33.988 8.594
32 HD11 LEU 5 HD11 LEU 5 27.223 32.151 9.193
33 HD12 LEU 5 HD12 LEU 5 26.704 33.018 10.623
34 HD13 LEU 5 HD13 LEU 5 25.989 31.433 10.246
35 HD21 LEU 5 HD21 LEU 5 25.789 32.002 7.188
36 HD22 LEU 5 HD22 LEU 5 24.546 31.188 8.176
37 HD23 LEU 5 HD23 LEU 5 24.139 32.630 7.219
38 H ARG 6 H ARG 6 23.200 36.438 10.081
39 HA ARG 6 HA ARG 6 25.607 37.713 9.090
40 HB2 ARG 6 HB2 ARG 6 22.799 38.742 9.676
41 HB3 ARG 6 HB3 ARG 6 24.079 39.773 9.022
42 HG2 ARG 6 HG2 ARG 6 24.332 38.358 7.074
43 HG3 ARG 6 HG3 ARG 6 23.166 37.175 7.695
44 HD2 ARG 6 HD2 ARG 6 21.349 38.740 7.531
45 HD3 ARG 6 HD3 ARG 6 22.455 40.087 7.193
46 HE ARG 6 HE ARG 6 22.815 38.066 5.201
47 HH11 ARG 6 HH11 ARG 6 20.626 40.708 6.026
48 HH12 ARG 6 HH12 ARG 6 20.106 40.840 4.355
49 HH21 ARG 6 HH21 ARG 6 21.990 38.331 3.133
50 HH22 ARG 6 HH22 ARG 6 20.866 39.641 2.839
51 H ARG 7 H ARG 7 23.894 38.019 12.212
52 HA ARG 7 HA ARG 7 25.760 40.023 13.225
53 HB2 ARG 7 HB2 ARG 7 23.328 39.583 13.919
54 HB3 ARG 7 HB3 ARG 7 23.918 38.206 14.845
55 HG2 ARG 7 HG2 ARG 7 25.280 39.706 16.242
56 HG3 ARG 7 HG3 ARG 7 24.934 41.073 15.158
57 HD2 ARG 7 HD2 ARG 7 23.583 41.260 17.168
58 HD3 ARG 7 HD3 ARG 7 22.586 41.019 15.720
59 HE ARG 7 HE ARG 7 23.206 38.533 17.152
60 HH11 ARG 7 HH11 ARG 7 20.884 41.184 17.063
61 HH12 ARG 7 HH12 ARG 7 19.606 40.187 17.702
62 HH21 ARG 7 HH21 ARG 7 21.672 37.383 17.928
63 HH22 ARG 7 HH22 ARG 7 20.061 38.042 18.257
64 H CYS 8 H CYS 8 25.533 36.502 13.439
65 HA CYS 8 HA CYS 8 27.717 36.031 15.220
66 HB2 CYS 8 HB2 CYS 8 26.063 34.345 14.594
67 HB3 CYS 8 HB3 CYS 8 26.584 34.430 12.912
68 H GLU 9 H GLU 9 27.698 36.254 11.599
69 HA GLU 9 HA GLU 9 30.491 35.790 11.261
70 HB2 GLU 9 HB2 GLU 9 28.390 37.182 9.563
71 HB3 GLU 9 HB3 GLU 9 30.070 37.015 9.029
72 HG2 GLU 9 HG2 GLU 9 29.969 34.594 9.205
73 HG3 GLU 9 HG3 GLU 9 28.326 34.648 9.821
74 H LEU 10 H LEU 10 28.739 38.884 11.708
75 HA LEU 10 HA LEU 10 31.070 40.566 11.583
76 HB2 LEU 10 HB2 LEU 10 28.821 41.387 11.187
77 HB3 LEU 10 HB3 LEU 10 28.290 40.869 12.779
78 HG LEU 10 HG LEU 10 29.669 42.568 13.857
79 HD11 LEU 10 HD11 LEU 10 30.492 43.370 11.032
80 HD12 LEU 10 HD12 LEU 10 30.798 44.324 12.501
81 HD13 LEU 10 HD13 LEU 10 31.566 42.746 12.306
82 HD21 LEU 10 HD21 LEU 10 28.455 44.548 13.076
83 HD22 LEU 10 HD22 LEU 10 28.073 43.746 11.536
84 HD23 LEU 10 HD23 LEU 10 27.374 43.145 13.052
85 H SER 11 H SER 11 29.435 38.880 14.278
86 HA SER 11 HA SER 11 31.094 40.000 16.350
87 HB2 SER 11 HB2 SER 11 28.905 39.048 16.801
88 HB3 SER 11 HB3 SER 11 29.453 37.449 16.272
89 HG SER 11 HG SER 11 30.713 38.869 18.397
90 H CYS 12 H CYS 12 31.496 37.102 14.271
91 HA CYS 12 HA CYS 12 33.935 36.218 15.589
92 HB2 CYS 12 HB2 CYS 12 32.849 35.651 12.818
93 HB3 CYS 12 HB3 CYS 12 34.151 34.783 13.601
94 H ARG 13 H ARG 13 33.153 38.493 12.973
95 HA ARG 13 HA ARG 13 35.809 38.945 12.003
96 HB2 ARG 13 HB2 ARG 13 33.585 39.831 11.034
97 HB3 ARG 13 HB3 ARG 13 33.715 41.130 12.221
98 HG2 ARG 13 HG2 ARG 13 35.954 41.750 11.267
99 HG3 ARG 13 HG3 ARG 13 35.775 40.449 10.083
100 HD2 ARG 13 HD2 ARG 13 35.170 42.468 8.995
101 HD3 ARG 13 HD3 ARG 13 33.668 41.565 9.259
102 HE ARG 13 HE ARG 13 34.117 43.345 11.470
103 HH11 ARG 13 HH11 ARG 13 33.273 43.669 8.060
104 HH12 ARG 13 HH12 ARG 13 32.429 45.174 8.364
105 HH21 ARG 13 HH21 ARG 13 33.196 45.170 11.734
106 HH22 ARG 13 HH22 ARG 13 32.558 46.114 10.376
107 H SER 14 H SER 14 34.199 40.279 14.866
108 HA SER 14 HA SER 14 36.216 42.077 15.716
109 HB2 SER 14 HB2 SER 14 33.901 41.735 16.679
110 HB3 SER 14 HB3 SER 14 34.541 40.283 17.489
111 HG SER 14 HG SER 14 35.061 43.003 17.960
112 H LEU 15 H LEU 15 36.281 38.575 15.710
113 HA LEU 15 HA LEU 15 38.748 38.422 17.383
114 HB2 LEU 15 HB2 LEU 15 37.268 36.133 16.066
115 HB3 LEU 15 HB3 LEU 15 38.358 36.076 17.428
116 HG LEU 15 HG LEU 15 35.527 37.198 17.389
117 HD11 LEU 15 HD11 LEU 15 36.693 34.698 18.695
118 HD12 LEU 15 HD12 LEU 15 35.012 35.263 18.812
119 HD13 LEU 15 HD13 LEU 15 35.658 34.747 17.251
120 HD21 LEU 15 HD21 LEU 15 36.914 38.417 19.061
121 HD22 LEU 15 HD22 LEU 15 35.762 37.349 19.858
122 HD23 LEU 15 HD23 LEU 15 37.470 36.871 19.741
123 H GLY 16 H GLY 16 37.702 38.359 14.067
124 HA2 GLY 16 HA2 GLY 16 39.195 38.841 12.266
125 HA3 GLY 16 HA3 GLY 16 40.480 37.957 13.073
126 H LEU 17 H LEU 17 37.378 36.404 13.091
127 HA LEU 17 HA LEU 17 38.058 34.577 10.796
128 HB2 LEU 17 HB2 LEU 17 37.044 32.790 12.325
129 HB3 LEU 17 HB3 LEU 17 38.758 33.187 12.395
130 HG LEU 17 HG LEU 17 36.811 34.312 14.421
131 HD11 LEU 17 HD11 LEU 17 38.389 31.722 14.673
132 HD12 LEU 17 HD12 LEU 17 37.286 32.421 15.868
133 HD13 LEU 17 HD13 LEU 17 36.660 31.779 14.336
134 HD21 LEU 17 HD21 LEU 17 39.789 33.614 14.505
135 HD22 LEU 17 HD22 LEU 17 39.139 35.246 14.457
136 HD23 LEU 17 HD23 LEU 17 38.848 34.226 15.872
137 H LEU 18 H LEU 18 36.159 33.179 10.211
138 HA LEU 18 HA LEU 18 33.817 34.988 9.869
139 HB2 LEU 18 HB2 LEU 18 34.579 32.405 8.436
140 HB3 LEU 18 HB3 LEU 18 33.114 33.308 8.183
141 HG LEU 18 HG LEU 18 34.663 35.357 7.691
142 HD11 LEU 18 HD11 LEU 18 36.848 34.382 8.248
143 HD12 LEU 18 HD12 LEU 18 36.564 33.015 7.141
144 HD13 LEU 18 HD13 LEU 18 36.770 34.670 6.526
145 HD21 LEU 18 HD21 LEU 18 34.427 33.005 5.746
146 HD22 LEU 18 HD22 LEU 18 33.211 34.266 6.038
147 HD23 LEU 18 HD23 LEU 18 34.748 34.707 5.313
148 H GLY 19 H GLY 19 31.654 33.829 9.811
149 HA2 GLY 19 HA2 GLY 19 31.280 32.216 12.295
150 HA3 GLY 19 HA3 GLY 19 30.075 33.295 11.608
151 H LYS 20 H LYS 20 30.055 30.385 12.265
152 HA LYS 20 HA LYS 20 28.971 29.273 9.733
153 HB2 LYS 20 HB2 LYS 20 31.351 28.511 10.289
154 HB3 LYS 20 HB3 LYS 20 30.711 27.798 11.765
155 HG2 LYS 20 HG2 LYS 20 30.822 26.013 10.241
156 HG3 LYS 20 HG3 LYS 20 29.106 26.446 10.232
157 HD2 LYS 20 HD2 LYS 20 29.528 27.823 8.158
158 HD3 LYS 20 HD3 LYS 20 31.229 27.319 8.218
159 HE2 LYS 20 HE2 LYS 20 30.166 24.878 8.339
160 HE3 LYS 20 HE3 LYS 20 28.756 25.654 7.608
161 HZ1 LYS 20 HZ1 LYS 20 31.522 25.690 6.496
162 HZ2 LYS 20 HZ2 LYS 20 30.338 24.672 6.018
163 HZ3 LYS 20 HZ3 LYS 20 30.178 26.285 5.722
164 H CYS 21 H CYS 21 26.914 28.814 10.024
165 HA CYS 21 HA CYS 21 25.664 28.498 12.636
166 HB2 CYS 21 HB2 CYS 21 24.617 29.706 10.810
167 HB3 CYS 21 HB3 CYS 21 24.642 28.274 9.794
168 H ILE 22 H ILE 22 24.975 26.670 13.653
169 HA ILE 22 HA ILE 22 25.356 24.008 12.340
170 HB ILE 22 HB ILE 22 26.729 24.475 14.345
171 HG12 ILE 22 HG12 ILE 22 24.800 22.172 14.837
172 HG13 ILE 22 HG13 ILE 22 26.020 22.169 13.554
173 HG21 ILE 22 HG21 ILE 22 25.098 25.822 15.624
174 HG22 ILE 22 HG22 ILE 22 24.093 24.374 15.877
175 HG23 ILE 22 HG23 ILE 22 25.718 24.484 16.575
176 HD11 ILE 22 HD11 ILE 22 26.528 22.373 16.539
177 HD12 ILE 22 HD12 ILE 22 26.899 21.009 15.469
178 HD13 ILE 22 HD13 ILE 22 27.783 22.544 15.289
179 H GLY 23 H GLY 23 23.056 26.192 12.946
180 HA2 GLY 23 HA2 GLY 23 20.774 25.884 12.230
181 HA3 GLY 23 HA3 GLY 23 20.790 24.230 12.857
182 H GLU 24 H GLU 24 19.606 27.173 13.469
183 HA GLU 24 HA GLU 24 18.894 28.412 15.159
184 HB2 GLU 24 HB2 GLU 24 18.861 25.871 16.815
185 HB3 GLU 24 HB3 GLU 24 17.975 27.349 17.148
186 HG2 GLU 24 HG2 GLU 24 16.926 27.072 14.796
187 HG3 GLU 24 HG3 GLU 24 17.585 25.435 14.809
188 H LYS 25 H LYS 25 21.955 27.315 15.341
189 HA LYS 25 HA LYS 25 22.865 29.357 17.295
190 HB2 LYS 25 HB2 LYS 25 23.498 26.372 17.366
191 HB3 LYS 25 HB3 LYS 25 24.403 27.580 18.265
192 HG2 LYS 25 HG2 LYS 25 21.457 26.929 18.647
193 HG3 LYS 25 HG3 LYS 25 22.782 26.337 19.636
194 HD2 LYS 25 HD2 LYS 25 23.382 28.640 20.295
195 HD3 LYS 25 HD3 LYS 25 22.041 29.294 19.366
196 HE2 LYS 25 HE2 LYS 25 21.713 27.334 21.674
197 HE3 LYS 25 HE3 LYS 25 21.708 29.090 21.865
198 HZ1 LYS 25 HZ1 LYS 25 19.729 27.532 20.305
199 HZ2 LYS 25 HZ2 LYS 25 19.481 28.278 21.730
200 HZ3 LYS 25 HZ3 LYS 25 19.739 29.172 20.382
201 H CYS 26 H CYS 26 25.255 29.670 17.149
202 HA CYS 26 HA CYS 26 26.503 28.907 14.593
203 HB2 CYS 26 HB2 CYS 26 25.019 30.773 14.011
204 HB3 CYS 26 HB3 CYS 26 25.753 31.781 15.242
205 H GLU 27 H GLU 27 28.652 28.930 14.596
206 HA GLU 27 HA GLU 27 30.167 29.944 16.982
207 HB2 GLU 27 HB2 GLU 27 30.582 27.428 15.320
208 HB3 GLU 27 HB3 GLU 27 31.656 27.953 16.597
209 HG2 GLU 27 HG2 GLU 27 28.754 27.141 16.955
210 HG3 GLU 27 HG3 GLU 27 30.163 26.136 17.255
211 H CYS 28 H CYS 28 32.598 29.926 16.383
212 HA CYS 28 HA CYS 28 32.917 31.356 13.767
213 HB2 CYS 28 HB2 CYS 28 34.651 31.685 16.212
214 HB3 CYS 28 HB3 CYS 28 34.699 32.616 14.719
215 H VAL 29 H VAL 29 34.741 31.002 12.460
216 HA VAL 29 HA VAL 29 35.959 28.298 12.795
217 HB VAL 29 HB VAL 29 36.310 28.410 10.343
218 HG11 VAL 29 HG11 VAL 29 33.472 28.481 11.465
219 HG12 VAL 29 HG12 VAL 29 33.949 27.780 9.898
220 HG13 VAL 29 HG13 VAL 29 34.558 27.080 11.401
221 HG21 VAL 29 HG21 VAL 29 35.081 29.876 8.952
222 HG22 VAL 29 HG22 VAL 29 34.160 30.554 10.296
223 HG23 VAL 29 HG23 VAL 29 35.874 30.971 10.091
224 HA PRO 30 HA PRO 30 39.814 30.639 13.112
225 HB2 PRO 30 HB2 PRO 30 41.310 28.910 14.616
226 HB3 PRO 30 HB3 PRO 30 39.978 29.885 15.294
227 HG2 PRO 30 HG2 PRO 30 39.863 27.022 14.304
228 HG3 PRO 30 HG3 PRO 30 39.304 27.659 15.880
229 HD2 PRO 30 HD2 PRO 30 37.605 27.298 13.782
230 HD3 PRO 30 HD3 PRO 30 37.418 28.683 14.901
231 H TYR 31 H TYR 31 39.138 29.184 10.747
232 HA TYR 31 HA TYR 31 41.327 27.630 9.689
233 HB2 TYR 31 HB2 TYR 31 39.417 29.439 8.176
234 HB3 TYR 31 HB3 TYR 31 40.342 28.102 7.522
235 HD1 TYR 31 HD1 TYR 31 39.474 26.265 10.127
236 HD2 TYR 31 HD2 TYR 31 37.446 28.541 7.069
237 HE1 TYR 31 HE1 TYR 31 37.456 24.849 10.405
238 HE2 TYR 31 HE2 TYR 31 35.434 27.100 7.340
239 HH TYR 31 HH TYR 31 35.258 24.562 9.860
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 14.326 27.167 16.251
2 H2 ALA 1 H2 ALA 1 13.480 27.772 17.489
3 H3 ALA 1 H3 ALA 1 15.118 27.503 17.643
4 HA ALA 1 HA ALA 1 13.812 29.469 15.889
5 HB1 ALA 1 HB1 ALA 1 15.500 29.926 18.367
6 HB2 ALA 1 HB2 ALA 1 14.861 31.186 17.300
7 HB3 ALA 1 HB3 ALA 1 13.737 30.165 18.238
8 H PHE 2 H PHE 2 14.926 30.038 14.102
9 HA PHE 2 HA PHE 2 17.411 28.848 13.380
10 HB2 PHE 2 HB2 PHE 2 16.160 31.395 12.276
11 HB3 PHE 2 HB3 PHE 2 17.384 30.409 11.495
12 HD1 PHE 2 HD1 PHE 2 13.820 30.848 12.124
13 HD2 PHE 2 HD2 PHE 2 16.805 28.136 10.601
14 HE1 PHE 2 HE1 PHE 2 12.053 29.535 11.002
15 HE2 PHE 2 HE2 PHE 2 15.033 26.852 9.432
16 HZ PHE 2 HZ PHE 2 12.652 27.541 9.633
17 H CYS 3 H CYS 3 19.477 29.537 13.404
18 HA CYS 3 HA CYS 3 20.356 31.740 15.132
19 HB2 CYS 3 HB2 CYS 3 21.655 29.802 15.173
20 HB3 CYS 3 HB3 CYS 3 21.638 29.599 13.426
21 H ASN 4 H ASN 4 21.096 33.747 14.470
22 HA ASN 4 HA ASN 4 20.462 34.545 11.692
23 HB2 ASN 4 HB2 ASN 4 21.074 36.138 14.202
24 HB3 ASN 4 HB3 ASN 4 20.930 36.869 12.599
25 HD21 ASN 4 HD21 ASN 4 17.534 35.960 14.560
26 HD22 ASN 4 HD22 ASN 4 19.098 36.047 15.337
27 H LEU 5 H LEU 5 21.913 34.336 10.166
28 HA LEU 5 HA LEU 5 24.586 33.547 10.703
29 HB2 LEU 5 HB2 LEU 5 23.135 32.701 8.924
30 HB3 LEU 5 HB3 LEU 5 23.219 34.263 8.103
31 HG LEU 5 HG LEU 5 25.649 32.502 8.658
32 HD11 LEU 5 HD11 LEU 5 23.986 32.716 6.115
33 HD12 LEU 5 HD12 LEU 5 25.439 31.730 6.361
34 HD13 LEU 5 HD13 LEU 5 23.951 31.345 7.246
35 HD21 LEU 5 HD21 LEU 5 25.225 34.835 6.732
36 HD22 LEU 5 HD22 LEU 5 26.429 34.731 8.034
37 HD23 LEU 5 HD23 LEU 5 26.591 33.707 6.626
38 H ARG 6 H ARG 6 23.385 36.621 9.162
39 HA ARG 6 HA ARG 6 26.105 37.466 8.800
40 HB2 ARG 6 HB2 ARG 6 24.150 38.251 7.421
41 HB3 ARG 6 HB3 ARG 6 23.647 39.250 8.788
42 HG2 ARG 6 HG2 ARG 6 24.868 40.571 7.119
43 HG3 ARG 6 HG3 ARG 6 25.757 40.531 8.638
44 HD2 ARG 6 HD2 ARG 6 27.232 38.742 7.692
45 HD3 ARG 6 HD3 ARG 6 26.376 38.882 6.149
46 HE ARG 6 HE ARG 6 27.215 41.455 6.563
47 HH11 ARG 6 HH11 ARG 6 29.060 38.423 6.691
48 HH12 ARG 6 HH12 ARG 6 30.571 39.327 6.601
49 HH21 ARG 6 HH21 ARG 6 29.140 42.368 6.133
50 HH22 ARG 6 HH22 ARG 6 30.586 41.368 6.004
51 H ARG 7 H ARG 7 23.898 37.822 11.500
52 HA ARG 7 HA ARG 7 25.599 39.517 13.100
53 HB2 ARG 7 HB2 ARG 7 23.215 38.958 13.674
54 HB3 ARG 7 HB3 ARG 7 23.713 37.314 14.071
55 HG2 ARG 7 HG2 ARG 7 25.254 38.142 15.790
56 HG3 ARG 7 HG3 ARG 7 24.890 39.816 15.362
57 HD2 ARG 7 HD2 ARG 7 22.674 39.645 16.294
58 HD3 ARG 7 HD3 ARG 7 22.786 37.878 16.381
59 HE ARG 7 HE ARG 7 23.959 38.022 18.340
60 HH11 ARG 7 HH11 ARG 7 23.857 41.348 17.144
61 HH12 ARG 7 HH12 ARG 7 25.083 41.823 18.326
62 HH21 ARG 7 HH21 ARG 7 25.476 38.807 19.769
63 HH22 ARG 7 HH22 ARG 7 25.884 40.522 19.710
64 H CYS 8 H CYS 8 25.461 35.966 12.733
65 HA CYS 8 HA CYS 8 27.518 35.371 14.590
66 HB2 CYS 8 HB2 CYS 8 25.979 33.705 13.623
67 HB3 CYS 8 HB3 CYS 8 26.755 33.884 12.052
68 H GLU 9 H GLU 9 27.808 36.119 11.072
69 HA GLU 9 HA GLU 9 30.670 35.907 10.972
70 HB2 GLU 9 HB2 GLU 9 28.645 37.428 9.302
71 HB3 GLU 9 HB3 GLU 9 30.381 37.533 8.992
72 HG2 GLU 9 HG2 GLU 9 30.510 35.069 8.745
73 HG3 GLU 9 HG3 GLU 9 28.756 34.961 8.959
74 H LEU 10 H LEU 10 28.611 38.788 11.705
75 HA LEU 10 HA LEU 10 30.816 40.588 12.104
76 HB2 LEU 10 HB2 LEU 10 28.585 41.343 11.539
77 HB3 LEU 10 HB3 LEU 10 27.907 40.573 12.974
78 HG LEU 10 HG LEU 10 29.086 42.166 14.430
79 HD11 LEU 10 HD11 LEU 10 31.036 42.750 13.004
80 HD12 LEU 10 HD12 LEU 10 29.947 43.524 11.834
81 HD13 LEU 10 HD13 LEU 10 30.131 44.197 13.466
82 HD21 LEU 10 HD21 LEU 10 27.723 44.126 13.871
83 HD22 LEU 10 HD22 LEU 10 27.470 43.507 12.230
84 HD23 LEU 10 HD23 LEU 10 26.799 42.634 13.628
85 H SER 11 H SER 11 29.177 38.329 14.281
86 HA SER 11 HA SER 11 30.461 39.220 16.711
87 HB2 SER 11 HB2 SER 11 28.385 37.854 16.625
88 HB3 SER 11 HB3 SER 11 29.323 36.492 15.991
89 HG SER 11 HG SER 11 29.512 37.772 18.527
90 H CYS 12 H CYS 12 31.325 36.710 14.258
91 HA CYS 12 HA CYS 12 33.765 35.924 15.651
92 HB2 CYS 12 HB2 CYS 12 32.764 35.427 12.829
93 HB3 CYS 12 HB3 CYS 12 34.187 34.669 13.541
94 H ARG 13 H ARG 13 32.947 38.368 13.274
95 HA ARG 13 HA ARG 13 35.541 39.162 12.445
96 HB2 ARG 13 HB2 ARG 13 33.386 40.025 11.512
97 HB3 ARG 13 HB3 ARG 13 33.101 40.899 13.010
98 HG2 ARG 13 HG2 ARG 13 33.851 42.444 11.362
99 HG3 ARG 13 HG3 ARG 13 35.091 42.301 12.599
100 HD2 ARG 13 HD2 ARG 13 36.271 40.621 11.065
101 HD3 ARG 13 HD3 ARG 13 35.095 41.030 9.819
102 HE ARG 13 HE ARG 13 37.389 42.573 10.732
103 HH11 ARG 13 HH11 ARG 13 34.328 42.945 9.000
104 HH12 ARG 13 HH12 ARG 13 34.960 44.304 8.109
105 HH21 ARG 13 HH21 ARG 13 38.049 44.258 9.671
106 HH22 ARG 13 HH22 ARG 13 37.031 45.064 8.496
107 H SER 14 H SER 14 34.033 39.625 15.607
108 HA SER 14 HA SER 14 35.848 41.582 16.633
109 HB2 SER 14 HB2 SER 14 35.174 40.899 18.808
110 HB3 SER 14 HB3 SER 14 33.739 40.809 17.778
111 HG SER 14 HG SER 14 33.816 38.631 17.836
112 H LEU 15 H LEU 15 36.175 38.073 16.238
113 HA LEU 15 HA LEU 15 38.841 37.943 17.477
114 HB2 LEU 15 HB2 LEU 15 37.445 35.828 15.834
115 HB3 LEU 15 HB3 LEU 15 38.685 35.609 17.066
116 HG LEU 15 HG LEU 15 35.774 36.388 17.540
117 HD11 LEU 15 HD11 LEU 15 37.278 33.805 18.110
118 HD12 LEU 15 HD12 LEU 15 35.578 34.145 18.496
119 HD13 LEU 15 HD13 LEU 15 36.095 34.058 16.806
120 HD21 LEU 15 HD21 LEU 15 37.982 35.747 19.548
121 HD22 LEU 15 HD22 LEU 15 37.243 37.347 19.289
122 HD23 LEU 15 HD23 LEU 15 36.266 36.019 19.927
123 H GLY 16 H GLY 16 37.417 38.102 14.251
124 HA2 GLY 16 HA2 GLY 16 38.557 39.008 12.337
125 HA3 GLY 16 HA3 GLY 16 40.108 38.477 12.988
126 H LEU 17 H LEU 17 37.443 36.275 13.144
127 HA LEU 17 HA LEU 17 38.301 34.710 10.738
128 HB2 LEU 17 HB2 LEU 17 37.255 32.804 12.215
129 HB3 LEU 17 HB3 LEU 17 38.982 33.126 12.097
130 HG LEU 17 HG LEU 17 37.287 34.125 14.380
131 HD11 LEU 17 HD11 LEU 17 37.127 31.634 14.203
132 HD12 LEU 17 HD12 LEU 17 38.890 31.537 14.260
133 HD13 LEU 17 HD13 LEU 17 37.984 32.158 15.655
134 HD21 LEU 17 HD21 LEU 17 39.586 35.136 14.246
135 HD22 LEU 17 HD22 LEU 17 39.505 34.005 15.601
136 HD23 LEU 17 HD23 LEU 17 40.280 33.518 14.092
137 H LEU 18 H LEU 18 36.538 33.248 9.994
138 HA LEU 18 HA LEU 18 34.093 34.910 9.714
139 HB2 LEU 18 HB2 LEU 18 35.223 32.532 8.250
140 HB3 LEU 18 HB3 LEU 18 33.494 32.836 8.150
141 HG LEU 18 HG LEU 18 35.565 34.972 7.509
142 HD11 LEU 18 HD11 LEU 18 34.123 33.101 5.595
143 HD12 LEU 18 HD12 LEU 18 35.191 34.447 5.151
144 HD13 LEU 18 HD13 LEU 18 35.858 33.045 5.999
145 HD21 LEU 18 HD21 LEU 18 33.286 35.856 7.948
146 HD22 LEU 18 HD22 LEU 18 33.670 35.973 6.234
147 HD23 LEU 18 HD23 LEU 18 32.605 34.678 6.804
148 H GLY 19 H GLY 19 31.983 33.821 9.794
149 HA2 GLY 19 HA2 GLY 19 31.735 31.921 12.084
150 HA3 GLY 19 HA3 GLY 19 30.734 33.370 11.980
151 H LYS 20 H LYS 20 30.065 30.504 11.990
152 HA LYS 20 HA LYS 20 28.235 30.467 9.643
153 HB2 LYS 20 HB2 LYS 20 30.394 28.925 9.519
154 HB3 LYS 20 HB3 LYS 20 29.572 27.966 10.742
155 HG2 LYS 20 HG2 LYS 20 29.023 26.929 8.699
156 HG3 LYS 20 HG3 LYS 20 27.581 27.860 9.081
157 HD2 LYS 20 HD2 LYS 20 28.448 29.702 7.568
158 HD3 LYS 20 HD3 LYS 20 29.832 28.670 7.178
159 HE2 LYS 20 HE2 LYS 20 28.193 26.917 6.330
160 HE3 LYS 20 HE3 LYS 20 26.895 28.072 6.613
161 HZ1 LYS 20 HZ1 LYS 20 28.219 29.602 5.084
162 HZ2 LYS 20 HZ2 LYS 20 29.048 28.234 4.602
163 HZ3 LYS 20 HZ3 LYS 20 27.446 28.365 4.385
164 H CYS 21 H CYS 21 26.167 29.723 10.101
165 HA CYS 21 HA CYS 21 25.487 29.211 12.960
166 HB2 CYS 21 HB2 CYS 21 23.856 29.582 10.433
167 HB3 CYS 21 HB3 CYS 21 23.158 28.957 11.926
168 H ILE 22 H ILE 22 25.485 27.152 13.703
169 HA ILE 22 HA ILE 22 24.926 24.880 11.852
170 HB ILE 22 HB ILE 22 27.360 25.054 13.672
171 HG12 ILE 22 HG12 ILE 22 27.158 24.872 10.627
172 HG13 ILE 22 HG13 ILE 22 27.677 26.284 11.553
173 HG21 ILE 22 HG21 ILE 22 27.863 22.768 12.857
174 HG22 ILE 22 HG22 ILE 22 26.340 22.791 13.712
175 HG23 ILE 22 HG23 ILE 22 26.347 22.754 11.933
176 HD11 ILE 22 HD11 ILE 22 29.188 23.678 11.295
177 HD12 ILE 22 HD12 ILE 22 29.623 25.278 10.683
178 HD13 ILE 22 HD13 ILE 22 29.615 24.985 12.434
179 H GLY 23 H GLY 23 23.234 23.855 12.727
180 HA2 GLY 23 HA2 GLY 23 21.942 22.724 14.275
181 HA3 GLY 23 HA3 GLY 23 23.290 22.787 15.409
182 H GLU 24 H GLU 24 21.546 25.510 13.915
183 HA GLU 24 HA GLU 24 20.455 27.280 14.740
184 HB2 GLU 24 HB2 GLU 24 19.407 25.367 16.855
185 HB3 GLU 24 HB3 GLU 24 18.773 26.955 16.471
186 HG2 GLU 24 HG2 GLU 24 17.345 25.653 15.264
187 HG3 GLU 24 HG3 GLU 24 18.513 26.089 14.031
188 H LYS 25 H LYS 25 23.222 26.813 15.705
189 HA LYS 25 HA LYS 25 23.240 29.159 17.476
190 HB2 LYS 25 HB2 LYS 25 24.700 28.267 19.118
191 HB3 LYS 25 HB3 LYS 25 23.304 27.227 18.982
192 HG2 LYS 25 HG2 LYS 25 25.071 25.794 19.324
193 HG3 LYS 25 HG3 LYS 25 24.704 25.605 17.619
194 HD2 LYS 25 HD2 LYS 25 26.764 26.607 16.957
195 HD3 LYS 25 HD3 LYS 25 26.837 27.576 18.432
196 HE2 LYS 25 HE2 LYS 25 28.464 26.136 18.984
197 HE3 LYS 25 HE3 LYS 25 27.091 25.267 19.656
198 HZ1 LYS 25 HZ1 LYS 25 27.094 23.961 17.509
199 HZ2 LYS 25 HZ2 LYS 25 28.566 24.656 17.166
200 HZ3 LYS 25 HZ3 LYS 25 28.378 23.723 18.493
201 H CYS 26 H CYS 26 25.406 30.202 17.587
202 HA CYS 26 HA CYS 26 26.681 30.139 14.900
203 HB2 CYS 26 HB2 CYS 26 25.870 32.284 15.656
204 HB3 CYS 26 HB3 CYS 26 26.658 32.088 17.217
205 H GLU 27 H GLU 27 28.849 29.649 14.538
206 HA GLU 27 HA GLU 27 30.721 29.816 16.767
207 HB2 GLU 27 HB2 GLU 27 31.673 27.674 16.669
208 HB3 GLU 27 HB3 GLU 27 29.946 27.468 16.930
209 HG2 GLU 27 HG2 GLU 27 29.665 26.849 14.538
210 HG3 GLU 27 HG3 GLU 27 31.399 27.096 14.268
211 H CYS 28 H CYS 28 32.938 29.906 16.155
212 HA CYS 28 HA CYS 28 33.220 31.090 13.462
213 HB2 CYS 28 HB2 CYS 28 35.086 31.361 15.812
214 HB3 CYS 28 HB3 CYS 28 35.016 32.355 14.356
215 H VAL 29 H VAL 29 35.286 30.954 12.332
216 HA VAL 29 HA VAL 29 36.384 28.186 12.389
217 HB VAL 29 HB VAL 29 36.444 28.158 10.041
218 HG11 VAL 29 HG11 VAL 29 34.089 28.078 9.554
219 HG12 VAL 29 HG12 VAL 29 34.339 27.539 11.221
220 HG13 VAL 29 HG13 VAL 29 33.709 29.171 10.894
221 HG21 VAL 29 HG21 VAL 29 36.889 30.319 9.201
222 HG22 VAL 29 HG22 VAL 29 35.208 30.048 8.742
223 HG23 VAL 29 HG23 VAL 29 35.614 31.069 10.144
224 HA PRO 30 HA PRO 30 40.283 30.357 12.736
225 HB2 PRO 30 HB2 PRO 30 41.985 28.288 13.374
226 HB3 PRO 30 HB3 PRO 30 40.736 28.900 14.494
227 HG2 PRO 30 HG2 PRO 30 40.506 26.554 12.573
228 HG3 PRO 30 HG3 PRO 30 40.166 26.569 14.335
229 HD2 PRO 30 HD2 PRO 30 38.172 26.899 12.514
230 HD3 PRO 30 HD3 PRO 30 38.184 27.830 14.039
231 H TYR 31 H TYR 31 39.359 29.396 10.085
232 HA TYR 31 HA TYR 31 41.696 28.656 8.487
233 HB2 TYR 31 HB2 TYR 31 39.052 29.845 7.591
234 HB3 TYR 31 HB3 TYR 31 40.257 29.085 6.562
235 HD1 TYR 31 HD1 TYR 31 40.984 26.604 7.935
236 HD2 TYR 31 HD2 TYR 31 37.131 28.503 7.495
237 HE1 TYR 31 HE1 TYR 31 39.868 24.423 8.314
238 HE2 TYR 31 HE2 TYR 31 36.013 26.306 7.923
239 HH TYR 31 HH TYR 31 37.873 23.312 8.557
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 14.393 32.725 19.024
2 H2 ALA 1 H2 ALA 1 15.924 33.079 18.557
3 H3 ALA 1 H3 ALA 1 15.553 31.564 19.069
4 HA ALA 1 HA ALA 1 14.122 31.193 17.196
5 HB1 ALA 1 HB1 ALA 1 13.398 33.522 16.894
6 HB2 ALA 1 HB2 ALA 1 15.032 33.983 16.379
7 HB3 ALA 1 HB3 ALA 1 14.053 32.882 15.381
8 H PHE 2 H PHE 2 15.048 30.665 14.910
9 HA PHE 2 HA PHE 2 17.507 29.411 15.053
10 HB2 PHE 2 HB2 PHE 2 16.116 30.484 12.585
11 HB3 PHE 2 HB3 PHE 2 17.397 29.283 12.572
12 HD1 PHE 2 HD1 PHE 2 13.845 29.805 12.858
13 HD2 PHE 2 HD2 PHE 2 17.023 27.037 13.761
14 HE1 PHE 2 HE1 PHE 2 12.180 27.998 13.169
15 HE2 PHE 2 HE2 PHE 2 15.358 25.214 14.027
16 HZ PHE 2 HZ PHE 2 12.934 25.687 13.736
17 H CYS 3 H CYS 3 19.438 29.670 13.722
18 HA CYS 3 HA CYS 3 20.882 31.949 14.593
19 HB2 CYS 3 HB2 CYS 3 21.753 29.667 14.291
20 HB3 CYS 3 HB3 CYS 3 21.600 29.825 12.545
21 H ASN 4 H ASN 4 21.541 33.783 13.689
22 HA ASN 4 HA ASN 4 20.754 34.463 10.878
23 HB2 ASN 4 HB2 ASN 4 21.039 36.202 13.362
24 HB3 ASN 4 HB3 ASN 4 20.763 36.824 11.739
25 HD21 ASN 4 HD21 ASN 4 17.565 35.730 13.775
26 HD22 ASN 4 HD22 ASN 4 19.089 36.264 14.486
27 H LEU 5 H LEU 5 22.443 34.343 9.530
28 HA LEU 5 HA LEU 5 25.032 33.764 10.637
29 HB2 LEU 5 HB2 LEU 5 24.093 32.564 8.759
30 HB3 LEU 5 HB3 LEU 5 24.062 34.027 7.773
31 HG LEU 5 HG LEU 5 26.527 34.108 7.754
32 HD11 LEU 5 HD11 LEU 5 26.398 31.519 9.362
33 HD12 LEU 5 HD12 LEU 5 27.856 32.204 8.606
34 HD13 LEU 5 HD13 LEU 5 27.071 33.068 9.929
35 HD21 LEU 5 HD21 LEU 5 25.417 31.361 7.041
36 HD22 LEU 5 HD22 LEU 5 25.335 32.813 6.024
37 HD23 LEU 5 HD23 LEU 5 26.907 32.086 6.400
38 H ARG 6 H ARG 6 23.844 36.587 8.791
39 HA ARG 6 HA ARG 6 26.476 37.815 8.519
40 HB2 ARG 6 HB2 ARG 6 23.711 39.091 8.436
41 HB3 ARG 6 HB3 ARG 6 25.195 39.807 7.824
42 HG2 ARG 6 HG2 ARG 6 23.776 37.341 6.748
43 HG3 ARG 6 HG3 ARG 6 23.783 38.936 6.007
44 HD2 ARG 6 HD2 ARG 6 26.047 38.758 5.330
45 HD3 ARG 6 HD3 ARG 6 26.377 37.444 6.465
46 HE ARG 6 HE ARG 6 24.433 37.030 4.245
47 HH11 ARG 6 HH11 ARG 6 27.647 36.163 5.505
48 HH12 ARG 6 HH12 ARG 6 27.574 34.609 4.702
49 HH21 ARG 6 HH21 ARG 6 24.442 34.921 3.463
50 HH22 ARG 6 HH22 ARG 6 25.911 33.977 3.597
51 H ARG 7 H ARG 7 23.928 38.022 10.964
52 HA ARG 7 HA ARG 7 25.278 39.960 12.607
53 HB2 ARG 7 HB2 ARG 7 22.788 39.024 12.622
54 HB3 ARG 7 HB3 ARG 7 23.434 37.807 13.707
55 HG2 ARG 7 HG2 ARG 7 22.449 39.581 15.007
56 HG3 ARG 7 HG3 ARG 7 24.199 39.676 15.244
57 HD2 ARG 7 HD2 ARG 7 24.372 41.539 13.710
58 HD3 ARG 7 HD3 ARG 7 22.717 41.347 13.161
59 HE ARG 7 HE ARG 7 23.690 42.573 15.661
60 HH11 ARG 7 HH11 ARG 7 20.761 41.768 13.801
61 HH12 ARG 7 HH12 ARG 7 19.872 43.023 14.666
62 HH21 ARG 7 HH21 ARG 7 22.310 43.921 16.762
63 HH22 ARG 7 HH22 ARG 7 20.684 44.190 16.135
64 H CYS 8 H CYS 8 25.499 36.411 12.522
65 HA CYS 8 HA CYS 8 27.357 36.236 14.744
66 HB2 CYS 8 HB2 CYS 8 25.964 34.362 14.135
67 HB3 CYS 8 HB3 CYS 8 26.637 34.326 12.500
68 H GLU 9 H GLU 9 27.825 36.504 11.170
69 HA GLU 9 HA GLU 9 30.617 36.019 11.112
70 HB2 GLU 9 HB2 GLU 9 28.774 37.704 9.372
71 HB3 GLU 9 HB3 GLU 9 30.518 37.663 9.094
72 HG2 GLU 9 HG2 GLU 9 30.472 35.231 8.841
73 HG3 GLU 9 HG3 GLU 9 28.721 35.220 9.026
74 H LEU 10 H LEU 10 28.881 39.064 11.870
75 HA LEU 10 HA LEU 10 31.243 40.664 12.180
76 HB2 LEU 10 HB2 LEU 10 29.003 41.574 11.719
77 HB3 LEU 10 HB3 LEU 10 28.408 40.933 13.250
78 HG LEU 10 HG LEU 10 29.936 42.432 14.485
79 HD11 LEU 10 HD11 LEU 10 31.737 42.769 12.831
80 HD12 LEU 10 HD12 LEU 10 30.594 43.583 11.733
81 HD13 LEU 10 HD13 LEU 10 31.036 44.315 13.291
82 HD21 LEU 10 HD21 LEU 10 28.725 44.517 14.013
83 HD22 LEU 10 HD22 LEU 10 28.174 43.861 12.452
84 HD23 LEU 10 HD23 LEU 10 27.634 43.126 13.976
85 H SER 11 H SER 11 29.460 38.562 14.441
86 HA SER 11 HA SER 11 30.933 39.375 16.804
87 HB2 SER 11 HB2 SER 11 28.739 38.235 16.922
88 HB3 SER 11 HB3 SER 11 29.469 36.753 16.274
89 HG SER 11 HG SER 11 30.477 36.409 18.152
90 H CYS 12 H CYS 12 31.456 36.842 14.319
91 HA CYS 12 HA CYS 12 33.852 35.812 15.639
92 HB2 CYS 12 HB2 CYS 12 32.791 35.516 12.817
93 HB3 CYS 12 HB3 CYS 12 34.151 34.616 13.493
94 H ARG 13 H ARG 13 33.142 38.441 13.389
95 HA ARG 13 HA ARG 13 35.869 39.089 12.698
96 HB2 ARG 13 HB2 ARG 13 33.566 40.065 11.771
97 HB3 ARG 13 HB3 ARG 13 33.825 41.285 13.022
98 HG2 ARG 13 HG2 ARG 13 36.090 41.752 12.048
99 HG3 ARG 13 HG3 ARG 13 35.780 40.519 10.819
100 HD2 ARG 13 HD2 ARG 13 33.683 41.916 10.209
101 HD3 ARG 13 HD3 ARG 13 34.414 43.202 11.184
102 HE ARG 13 HE ARG 13 35.923 41.882 8.946
103 HH11 ARG 13 HH11 ARG 13 34.682 44.954 10.188
104 HH12 ARG 13 HH12 ARG 13 35.510 45.835 8.924
105 HH21 ARG 13 HH21 ARG 13 36.758 43.053 7.341
106 HH22 ARG 13 HH22 ARG 13 36.483 44.777 7.251
107 H SER 14 H SER 14 34.003 39.742 15.643
108 HA SER 14 HA SER 14 35.783 41.549 16.911
109 HB2 SER 14 HB2 SER 14 34.263 39.324 18.297
110 HB3 SER 14 HB3 SER 14 34.797 40.842 18.972
111 HG SER 14 HG SER 14 32.524 40.662 18.317
112 H LEU 15 H LEU 15 36.274 38.235 16.113
113 HA LEU 15 HA LEU 15 38.730 38.008 17.798
114 HB2 LEU 15 HB2 LEU 15 37.535 35.879 16.000
115 HB3 LEU 15 HB3 LEU 15 38.706 35.684 17.288
116 HG LEU 15 HG LEU 15 35.744 36.341 17.587
117 HD11 LEU 15 HD11 LEU 15 37.306 33.793 18.190
118 HD12 LEU 15 HD12 LEU 15 35.576 34.064 18.493
119 HD13 LEU 15 HD13 LEU 15 36.183 34.044 16.833
120 HD21 LEU 15 HD21 LEU 15 36.104 35.905 20.010
121 HD22 LEU 15 HD22 LEU 15 37.851 35.731 19.724
122 HD23 LEU 15 HD23 LEU 15 37.044 37.299 19.474
123 H GLY 16 H GLY 16 37.566 37.594 14.445
124 HA2 GLY 16 HA2 GLY 16 39.108 38.854 12.747
125 HA3 GLY 16 HA3 GLY 16 40.355 37.779 13.374
126 H LEU 17 H LEU 17 37.104 36.447 13.035
127 HA LEU 17 HA LEU 17 37.785 35.057 10.488
128 HB2 LEU 17 HB2 LEU 17 37.039 32.924 11.638
129 HB3 LEU 17 HB3 LEU 17 38.704 33.441 11.764
130 HG LEU 17 HG LEU 17 36.737 33.975 14.016
131 HD11 LEU 17 HD11 LEU 17 38.486 31.498 13.635
132 HD12 LEU 17 HD12 LEU 17 37.431 31.852 15.021
133 HD13 LEU 17 HD13 LEU 17 36.736 31.528 13.429
134 HD21 LEU 17 HD21 LEU 17 38.790 33.763 15.412
135 HD22 LEU 17 HD22 LEU 17 39.767 33.498 13.952
136 HD23 LEU 17 HD23 LEU 17 38.997 35.056 14.243
137 H LEU 18 H LEU 18 35.913 33.611 9.779
138 HA LEU 18 HA LEU 18 33.482 35.311 9.883
139 HB2 LEU 18 HB2 LEU 18 33.995 32.983 8.010
140 HB3 LEU 18 HB3 LEU 18 32.737 34.190 7.937
141 HG LEU 18 HG LEU 18 34.887 35.854 7.827
142 HD11 LEU 18 HD11 LEU 18 36.568 34.010 7.848
143 HD12 LEU 18 HD12 LEU 18 35.779 33.279 6.431
144 HD13 LEU 18 HD13 LEU 18 36.569 34.861 6.303
145 HD21 LEU 18 HD21 LEU 18 33.035 35.792 6.216
146 HD22 LEU 18 HD22 LEU 18 34.593 35.868 5.382
147 HD23 LEU 18 HD23 LEU 18 33.711 34.327 5.469
148 H GLY 19 H GLY 19 31.361 33.925 9.633
149 HA2 GLY 19 HA2 GLY 19 31.159 32.427 12.193
150 HA3 GLY 19 HA3 GLY 19 29.864 33.305 11.407
151 H LYS 20 H LYS 20 29.763 30.700 12.458
152 HA LYS 20 HA LYS 20 29.118 28.963 10.107
153 HB2 LYS 20 HB2 LYS 20 31.382 28.609 11.295
154 HB3 LYS 20 HB3 LYS 20 30.478 28.142 12.710
155 HG2 LYS 20 HG2 LYS 20 31.185 26.169 11.613
156 HG3 LYS 20 HG3 LYS 20 29.438 26.264 11.357
157 HD2 LYS 20 HD2 LYS 20 29.725 26.955 9.068
158 HD3 LYS 20 HD3 LYS 20 31.433 27.341 9.323
159 HE2 LYS 20 HE2 LYS 20 31.933 24.953 9.765
160 HE3 LYS 20 HE3 LYS 20 30.240 24.529 9.495
161 HZ1 LYS 20 HZ1 LYS 20 31.841 25.870 7.380
162 HZ2 LYS 20 HZ2 LYS 20 31.859 24.246 7.560
163 HZ3 LYS 20 HZ3 LYS 20 30.470 25.007 7.194
164 H CYS 21 H CYS 21 26.850 29.316 10.311
165 HA CYS 21 HA CYS 21 25.494 29.048 12.869
166 HB2 CYS 21 HB2 CYS 21 24.536 29.208 10.009
167 HB3 CYS 21 HB3 CYS 21 23.444 28.779 11.311
168 H ILE 22 H ILE 22 24.652 27.388 13.842
169 HA ILE 22 HA ILE 22 24.505 24.671 12.606
170 HB ILE 22 HB ILE 22 25.650 25.558 15.260
171 HG12 ILE 22 HG12 ILE 22 27.125 23.648 13.474
172 HG13 ILE 22 HG13 ILE 22 26.936 25.251 12.814
173 HG21 ILE 22 HG21 ILE 22 24.480 23.537 15.883
174 HG22 ILE 22 HG22 ILE 22 25.021 22.707 14.408
175 HG23 ILE 22 HG23 ILE 22 26.170 23.117 15.687
176 HD11 ILE 22 HD11 ILE 22 28.113 24.658 15.537
177 HD12 ILE 22 HD12 ILE 22 29.008 25.105 14.064
178 HD13 ILE 22 HD13 ILE 22 27.890 26.268 14.813
179 H GLY 23 H GLY 23 22.412 25.758 12.167
180 HA2 GLY 23 HA2 GLY 23 20.125 25.621 12.336
181 HA3 GLY 23 HA3 GLY 23 20.301 24.710 13.840
182 H GLU 24 H GLU 24 20.839 25.972 15.781
183 HA GLU 24 HA GLU 24 19.537 28.663 15.809
184 HB2 GLU 24 HB2 GLU 24 18.109 26.798 16.404
185 HB3 GLU 24 HB3 GLU 24 19.196 26.332 17.717
186 HG2 GLU 24 HG2 GLU 24 18.554 28.100 19.069
187 HG3 GLU 24 HG3 GLU 24 18.226 29.158 17.698
188 H LYS 25 H LYS 25 22.425 27.157 16.372
189 HA LYS 25 HA LYS 25 23.373 29.394 18.118
190 HB2 LYS 25 HB2 LYS 25 24.985 27.931 19.140
191 HB3 LYS 25 HB3 LYS 25 23.322 27.540 19.550
192 HG2 LYS 25 HG2 LYS 25 23.330 25.580 18.114
193 HG3 LYS 25 HG3 LYS 25 24.929 26.018 17.443
194 HD2 LYS 25 HD2 LYS 25 25.967 25.821 19.606
195 HD3 LYS 25 HD3 LYS 25 24.401 25.595 20.401
196 HE2 LYS 25 HE2 LYS 25 24.080 23.432 19.424
197 HE3 LYS 25 HE3 LYS 25 25.447 23.647 18.310
198 HZ1 LYS 25 HZ1 LYS 25 25.893 22.265 20.331
199 HZ2 LYS 25 HZ2 LYS 25 26.956 23.528 20.095
200 HZ3 LYS 25 HZ3 LYS 25 25.796 23.643 21.248
201 H CYS 26 H CYS 26 25.832 29.686 17.844
202 HA CYS 26 HA CYS 26 26.663 29.108 15.055
203 HB2 CYS 26 HB2 CYS 26 25.436 31.382 15.286
204 HB3 CYS 26 HB3 CYS 26 26.870 31.903 16.155
205 H GLU 27 H GLU 27 28.731 28.774 14.742
206 HA GLU 27 HA GLU 27 30.749 29.327 16.889
207 HB2 GLU 27 HB2 GLU 27 30.681 27.133 14.790
208 HB3 GLU 27 HB3 GLU 27 32.020 27.418 15.888
209 HG2 GLU 27 HG2 GLU 27 29.194 26.677 16.765
210 HG3 GLU 27 HG3 GLU 27 30.518 25.545 16.531
211 H CYS 28 H CYS 28 33.046 29.122 15.449
212 HA CYS 28 HA CYS 28 32.814 31.044 13.176
213 HB2 CYS 28 HB2 CYS 28 34.902 31.175 15.363
214 HB3 CYS 28 HB3 CYS 28 34.727 32.273 13.986
215 H VAL 29 H VAL 29 34.684 31.076 11.706
216 HA VAL 29 HA VAL 29 35.816 28.337 11.401
217 HB VAL 29 HB VAL 29 36.089 28.883 9.042
218 HG11 VAL 29 HG11 VAL 29 34.208 27.556 9.957
219 HG12 VAL 29 HG12 VAL 29 33.265 29.048 10.155
220 HG13 VAL 29 HG13 VAL 29 33.720 28.493 8.530
221 HG21 VAL 29 HG21 VAL 29 34.156 31.165 9.472
222 HG22 VAL 29 HG22 VAL 29 35.883 31.457 9.199
223 HG23 VAL 29 HG23 VAL 29 34.909 30.643 7.967
224 HA PRO 30 HA PRO 30 39.937 30.234 11.816
225 HB2 PRO 30 HB2 PRO 30 41.298 28.114 12.776
226 HB3 PRO 30 HB3 PRO 30 40.108 28.987 13.779
227 HG2 PRO 30 HG2 PRO 30 39.669 26.426 12.210
228 HG3 PRO 30 HG3 PRO 30 39.273 26.756 13.928
229 HD2 PRO 30 HD2 PRO 30 37.465 27.006 11.862
230 HD3 PRO 30 HD3 PRO 30 37.382 28.002 13.350
231 H TYR 31 H TYR 31 38.990 29.908 9.350
232 HA TYR 31 HA TYR 31 40.811 28.140 7.779
233 HB2 TYR 31 HB2 TYR 31 38.427 29.744 6.809
234 HB3 TYR 31 HB3 TYR 31 39.337 28.543 5.903
235 HD1 TYR 31 HD1 TYR 31 36.467 28.497 5.900
236 HD2 TYR 31 HD2 TYR 31 39.185 26.677 8.708
237 HE1 TYR 31 HE1 TYR 31 34.700 26.880 6.580
238 HE2 TYR 31 HE2 TYR 31 37.408 25.114 9.411
239 HH TYR 31 HH TYR 31 35.207 24.563 9.251
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 14.919 29.793 19.441
2 H2 ALA 1 H2 ALA 1 15.052 30.988 20.578
3 H3 ALA 1 H3 ALA 1 16.401 30.228 20.027
4 HA ALA 1 HA ALA 1 14.603 31.780 18.311
5 HB1 ALA 1 HB1 ALA 1 16.285 33.596 18.384
6 HB2 ALA 1 HB2 ALA 1 15.576 33.304 19.981
7 HB3 ALA 1 HB3 ALA 1 17.208 32.698 19.609
8 H PHE 2 H PHE 2 15.213 31.848 16.125
9 HA PHE 2 HA PHE 2 17.171 29.977 15.106
10 HB2 PHE 2 HB2 PHE 2 15.915 32.405 13.773
11 HB3 PHE 2 HB3 PHE 2 16.875 31.177 12.961
12 HD1 PHE 2 HD1 PHE 2 15.989 28.939 12.495
13 HD2 PHE 2 HD2 PHE 2 13.629 31.912 14.529
14 HE1 PHE 2 HE1 PHE 2 13.938 27.583 12.115
15 HE2 PHE 2 HE2 PHE 2 11.618 30.532 14.238
16 HZ PHE 2 HZ PHE 2 11.749 28.362 12.997
17 H CYS 3 H CYS 3 19.177 30.307 14.203
18 HA CYS 3 HA CYS 3 20.825 32.518 15.236
19 HB2 CYS 3 HB2 CYS 3 21.654 30.257 15.141
20 HB3 CYS 3 HB3 CYS 3 21.448 30.184 13.395
21 H ASN 4 H ASN 4 21.497 34.297 14.123
22 HA ASN 4 HA ASN 4 20.596 34.723 11.299
23 HB2 ASN 4 HB2 ASN 4 19.860 36.312 13.085
24 HB3 ASN 4 HB3 ASN 4 21.531 36.653 13.463
25 HD21 ASN 4 HD21 ASN 4 19.748 38.845 10.723
26 HD22 ASN 4 HD22 ASN 4 18.953 37.927 11.997
27 H LEU 5 H LEU 5 22.172 34.395 9.787
28 HA LEU 5 HA LEU 5 24.858 33.779 10.644
29 HB2 LEU 5 HB2 LEU 5 23.833 32.685 8.743
30 HB3 LEU 5 HB3 LEU 5 23.711 34.226 7.878
31 HG LEU 5 HG LEU 5 26.183 34.387 7.784
32 HD11 LEU 5 HD11 LEU 5 26.131 31.646 9.121
33 HD12 LEU 5 HD12 LEU 5 27.560 32.389 8.368
34 HD13 LEU 5 HD13 LEU 5 26.842 33.131 9.798
35 HD21 LEU 5 HD21 LEU 5 24.957 33.282 5.962
36 HD22 LEU 5 HD22 LEU 5 26.558 32.563 6.191
37 HD23 LEU 5 HD23 LEU 5 25.116 31.717 6.797
38 H ARG 6 H ARG 6 23.392 36.701 9.251
39 HA ARG 6 HA ARG 6 25.838 38.127 8.754
40 HB2 ARG 6 HB2 ARG 6 23.361 38.528 7.986
41 HB3 ARG 6 HB3 ARG 6 23.183 39.432 9.480
42 HG2 ARG 6 HG2 ARG 6 25.229 39.985 7.274
43 HG3 ARG 6 HG3 ARG 6 23.668 40.768 7.417
44 HD2 ARG 6 HD2 ARG 6 26.011 41.072 9.320
45 HD3 ARG 6 HD3 ARG 6 25.358 42.251 8.183
46 HE ARG 6 HE ARG 6 23.289 41.450 10.000
47 HH11 ARG 6 HH11 ARG 6 25.938 43.784 9.709
48 HH12 ARG 6 HH12 ARG 6 25.274 44.718 11.030
49 HH21 ARG 6 HH21 ARG 6 22.620 42.681 11.606
50 HH22 ARG 6 HH22 ARG 6 23.492 44.146 12.036
51 H ARG 7 H ARG 7 23.718 37.929 11.634
52 HA ARG 7 HA ARG 7 25.408 39.667 13.253
53 HB2 ARG 7 HB2 ARG 7 22.885 39.162 13.442
54 HB3 ARG 7 HB3 ARG 7 23.344 37.664 14.251
55 HG2 ARG 7 HG2 ARG 7 24.310 38.825 16.099
56 HG3 ARG 7 HG3 ARG 7 24.355 40.358 15.223
57 HD2 ARG 7 HD2 ARG 7 22.600 40.360 16.924
58 HD3 ARG 7 HD3 ARG 7 21.940 40.578 15.317
59 HE ARG 7 HE ARG 7 21.710 38.150 17.054
60 HH11 ARG 7 HH11 ARG 7 20.444 39.799 14.178
61 HH12 ARG 7 HH12 ARG 7 19.016 38.782 14.219
62 HH21 ARG 7 HH21 ARG 7 20.076 36.843 16.838
63 HH22 ARG 7 HH22 ARG 7 18.936 36.981 15.522
64 H CYS 8 H CYS 8 25.239 36.164 12.839
65 HA CYS 8 HA CYS 8 27.142 35.473 14.900
66 HB2 CYS 8 HB2 CYS 8 25.679 33.820 13.927
67 HB3 CYS 8 HB3 CYS 8 26.263 34.164 12.307
68 H GLU 9 H GLU 9 27.566 36.121 11.395
69 HA GLU 9 HA GLU 9 30.373 35.763 11.230
70 HB2 GLU 9 HB2 GLU 9 28.348 37.398 9.690
71 HB3 GLU 9 HB3 GLU 9 30.045 37.445 9.251
72 HG2 GLU 9 HG2 GLU 9 28.829 34.706 9.559
73 HG3 GLU 9 HG3 GLU 9 28.254 35.695 8.216
74 H LEU 10 H LEU 10 28.525 38.683 12.194
75 HA LEU 10 HA LEU 10 30.765 40.427 12.365
76 HB2 LEU 10 HB2 LEU 10 28.419 41.144 12.206
77 HB3 LEU 10 HB3 LEU 10 28.064 40.397 13.763
78 HG LEU 10 HG LEU 10 29.593 41.988 14.883
79 HD11 LEU 10 HD11 LEU 10 30.338 44.019 13.640
80 HD12 LEU 10 HD12 LEU 10 31.129 42.563 13.045
81 HD13 LEU 10 HD13 LEU 10 29.785 43.284 12.122
82 HD21 LEU 10 HD21 LEU 10 27.181 42.469 14.699
83 HD22 LEU 10 HD22 LEU 10 28.140 43.957 14.656
84 HD23 LEU 10 HD23 LEU 10 27.459 43.301 13.148
85 H SER 11 H SER 11 29.358 38.192 14.787
86 HA SER 11 HA SER 11 31.017 39.029 17.000
87 HB2 SER 11 HB2 SER 11 28.967 37.601 17.219
88 HB3 SER 11 HB3 SER 11 29.862 36.253 16.516
89 HG SER 11 HG SER 11 29.758 36.758 19.003
90 H CYS 12 H CYS 12 31.509 36.654 14.370
91 HA CYS 12 HA CYS 12 34.059 35.716 15.431
92 HB2 CYS 12 HB2 CYS 12 32.881 35.437 12.649
93 HB3 CYS 12 HB3 CYS 12 34.175 34.474 13.356
94 H ARG 13 H ARG 13 33.026 38.124 13.020
95 HA ARG 13 HA ARG 13 35.626 38.888 12.064
96 HB2 ARG 13 HB2 ARG 13 33.378 39.458 11.070
97 HB3 ARG 13 HB3 ARG 13 33.183 40.683 12.308
98 HG2 ARG 13 HG2 ARG 13 35.236 41.832 11.489
99 HG3 ARG 13 HG3 ARG 13 35.465 40.548 10.263
100 HD2 ARG 13 HD2 ARG 13 33.106 42.466 10.478
101 HD3 ARG 13 HD3 ARG 13 34.437 42.598 9.316
102 HE ARG 13 HE ARG 13 33.684 40.364 8.419
103 HH11 ARG 13 HH11 ARG 13 31.220 42.460 9.771
104 HH12 ARG 13 HH12 ARG 13 29.963 41.256 9.415
105 HH21 ARG 13 HH21 ARG 13 31.962 39.058 7.818
106 HH22 ARG 13 HH22 ARG 13 30.355 39.573 8.305
107 H SER 14 H SER 14 33.853 39.956 14.973
108 HA SER 14 HA SER 14 35.677 41.955 15.809
109 HB2 SER 14 HB2 SER 14 33.461 41.425 16.847
110 HB3 SER 14 HB3 SER 14 34.210 39.998 17.603
111 HG SER 14 HG SER 14 34.978 42.718 17.899
112 H LEU 15 H LEU 15 36.017 38.436 15.991
113 HA LEU 15 HA LEU 15 38.586 38.569 17.468
114 HB2 LEU 15 HB2 LEU 15 37.321 36.192 16.082
115 HB3 LEU 15 HB3 LEU 15 38.538 36.180 17.331
116 HG LEU 15 HG LEU 15 35.618 36.989 17.639
117 HD11 LEU 15 HD11 LEU 15 35.427 34.896 18.923
118 HD12 LEU 15 HD12 LEU 15 35.932 34.588 17.261
119 HD13 LEU 15 HD13 LEU 15 37.122 34.506 18.578
120 HD21 LEU 15 HD21 LEU 15 36.098 36.943 20.088
121 HD22 LEU 15 HD22 LEU 15 37.821 36.662 19.756
122 HD23 LEU 15 HD23 LEU 15 37.044 38.193 19.280
123 H GLY 16 H GLY 16 37.425 38.201 14.160
124 HA2 GLY 16 HA2 GLY 16 38.702 38.902 12.255
125 HA3 GLY 16 HA3 GLY 16 40.190 38.414 13.046
126 H LEU 17 H LEU 17 37.522 36.224 13.332
127 HA LEU 17 HA LEU 17 38.454 34.516 11.041
128 HB2 LEU 17 HB2 LEU 17 37.491 32.615 12.424
129 HB3 LEU 17 HB3 LEU 17 39.127 33.173 12.711
130 HG LEU 17 HG LEU 17 36.886 34.148 14.499
131 HD11 LEU 17 HD11 LEU 17 38.511 31.607 14.906
132 HD12 LEU 17 HD12 LEU 17 37.255 32.252 15.975
133 HD13 LEU 17 HD13 LEU 17 36.828 31.617 14.377
134 HD21 LEU 17 HD21 LEU 17 38.761 34.110 16.184
135 HD22 LEU 17 HD22 LEU 17 39.862 33.562 14.916
136 HD23 LEU 17 HD23 LEU 17 39.157 35.175 14.826
137 H LEU 18 H LEU 18 36.660 33.052 10.244
138 HA LEU 18 HA LEU 18 34.348 34.832 9.712
139 HB2 LEU 18 HB2 LEU 18 35.236 32.257 8.381
140 HB3 LEU 18 HB3 LEU 18 33.827 33.193 7.898
141 HG LEU 18 HG LEU 18 36.592 34.428 8.006
142 HD11 LEU 18 HD11 LEU 18 36.686 32.466 6.510
143 HD12 LEU 18 HD12 LEU 18 35.301 33.111 5.598
144 HD13 LEU 18 HD13 LEU 18 36.845 33.989 5.624
145 HD21 LEU 18 HD21 LEU 18 35.690 36.054 6.450
146 HD22 LEU 18 HD22 LEU 18 34.150 35.181 6.368
147 HD23 LEU 18 HD23 LEU 18 34.644 35.979 7.862
148 H GLY 19 H GLY 19 32.200 33.916 9.558
149 HA2 GLY 19 HA2 GLY 19 31.611 32.203 11.964
150 HA3 GLY 19 HA3 GLY 19 30.600 33.526 11.419
151 H LYS 20 H LYS 20 29.774 30.876 12.027
152 HA LYS 20 HA LYS 20 28.251 30.237 9.576
153 HB2 LYS 20 HB2 LYS 20 30.474 29.011 9.577
154 HB3 LYS 20 HB3 LYS 20 29.983 28.178 11.040
155 HG2 LYS 20 HG2 LYS 20 28.238 28.080 8.556
156 HG3 LYS 20 HG3 LYS 20 29.722 27.135 8.624
157 HD2 LYS 20 HD2 LYS 20 28.947 26.040 10.724
158 HD3 LYS 20 HD3 LYS 20 27.446 26.948 10.610
159 HE2 LYS 20 HE2 LYS 20 26.990 24.785 9.691
160 HE3 LYS 20 HE3 LYS 20 27.030 25.928 8.344
161 HZ1 LYS 20 HZ1 LYS 20 29.269 25.128 7.801
162 HZ2 LYS 20 HZ2 LYS 20 29.264 24.124 9.119
163 HZ3 LYS 20 HZ3 LYS 20 28.226 23.872 7.876
164 H CYS 21 H CYS 21 26.167 29.610 10.101
165 HA CYS 21 HA CYS 21 25.436 29.273 12.979
166 HB2 CYS 21 HB2 CYS 21 23.835 29.711 10.450
167 HB3 CYS 21 HB3 CYS 21 23.095 29.204 11.960
168 H ILE 22 H ILE 22 25.273 27.267 13.816
169 HA ILE 22 HA ILE 22 24.342 25.028 12.116
170 HB ILE 22 HB ILE 22 26.740 25.014 12.034
171 HG12 ILE 22 HG12 ILE 22 25.830 22.705 13.794
172 HG13 ILE 22 HG13 ILE 22 25.311 22.918 12.116
173 HG21 ILE 22 HG21 ILE 22 26.842 24.581 15.045
174 HG22 ILE 22 HG22 ILE 22 28.201 24.689 13.921
175 HG23 ILE 22 HG23 ILE 22 27.222 26.119 14.248
176 HD11 ILE 22 HD11 ILE 22 27.205 21.407 12.170
177 HD12 ILE 22 HD12 ILE 22 27.665 22.925 11.365
178 HD13 ILE 22 HD13 ILE 22 28.189 22.607 13.032
179 H GLY 23 H GLY 23 22.601 24.194 12.978
180 HA2 GLY 23 HA2 GLY 23 21.137 23.313 14.540
181 HA3 GLY 23 HA3 GLY 23 22.437 23.303 15.739
182 H GLU 24 H GLU 24 21.325 26.201 14.037
183 HA GLU 24 HA GLU 24 20.582 28.166 14.682
184 HB2 GLU 24 HB2 GLU 24 18.852 26.772 16.740
185 HB3 GLU 24 HB3 GLU 24 18.664 28.410 16.132
186 HG2 GLU 24 HG2 GLU 24 18.210 25.826 14.643
187 HG3 GLU 24 HG3 GLU 24 17.060 27.120 14.979
188 H LYS 25 H LYS 25 23.027 27.251 15.874
189 HA LYS 25 HA LYS 25 23.260 29.682 17.498
190 HB2 LYS 25 HB2 LYS 25 24.509 28.728 19.295
191 HB3 LYS 25 HB3 LYS 25 22.928 27.974 19.163
192 HG2 LYS 25 HG2 LYS 25 24.302 26.250 19.724
193 HG3 LYS 25 HG3 LYS 25 24.064 25.991 18.009
194 HD2 LYS 25 HD2 LYS 25 26.311 26.605 17.493
195 HD3 LYS 25 HD3 LYS 25 26.496 27.509 19.021
196 HE2 LYS 25 HE2 LYS 25 26.290 25.389 20.295
197 HE3 LYS 25 HE3 LYS 25 26.232 24.478 18.784
198 HZ1 LYS 25 HZ1 LYS 25 28.473 25.149 18.317
199 HZ2 LYS 25 HZ2 LYS 25 28.490 26.255 19.534
200 HZ3 LYS 25 HZ3 LYS 25 28.487 24.662 19.876
201 H CYS 26 H CYS 26 25.403 30.524 17.627
202 HA CYS 26 HA CYS 26 26.599 30.327 14.957
203 HB2 CYS 26 HB2 CYS 26 26.028 32.481 16.003
204 HB3 CYS 26 HB3 CYS 26 27.103 32.120 17.355
205 H GLU 27 H GLU 27 28.671 29.728 14.437
206 HA GLU 27 HA GLU 27 30.622 29.264 16.593
207 HB2 GLU 27 HB2 GLU 27 31.468 27.261 15.773
208 HB3 GLU 27 HB3 GLU 27 29.735 27.008 15.989
209 HG2 GLU 27 HG2 GLU 27 29.387 27.069 13.583
210 HG3 GLU 27 HG3 GLU 27 31.035 27.622 13.299
211 H CYS 28 H CYS 28 32.792 29.473 15.916
212 HA CYS 28 HA CYS 28 33.126 31.035 13.393
213 HB2 CYS 28 HB2 CYS 28 34.717 31.415 15.933
214 HB3 CYS 28 HB3 CYS 28 34.774 32.387 14.462
215 H VAL 29 H VAL 29 35.136 30.800 12.305
216 HA VAL 29 HA VAL 29 36.342 28.091 12.683
217 HB VAL 29 HB VAL 29 36.993 28.303 10.306
218 HG11 VAL 29 HG11 VAL 29 35.158 26.902 11.092
219 HG12 VAL 29 HG12 VAL 29 34.027 28.272 11.001
220 HG13 VAL 29 HG13 VAL 29 34.771 27.616 9.521
221 HG21 VAL 29 HG21 VAL 29 35.823 29.801 8.834
222 HG22 VAL 29 HG22 VAL 29 34.822 30.436 10.133
223 HG23 VAL 29 HG23 VAL 29 36.552 30.844 10.065
224 HA PRO 30 HA PRO 30 40.250 30.363 13.421
225 HB2 PRO 30 HB2 PRO 30 41.278 28.749 15.345
226 HB3 PRO 30 HB3 PRO 30 40.056 29.997 15.710
227 HG2 PRO 30 HG2 PRO 30 39.594 27.034 15.260
228 HG3 PRO 30 HG3 PRO 30 38.965 28.066 16.577
229 HD2 PRO 30 HD2 PRO 30 37.522 27.454 14.335
230 HD3 PRO 30 HD3 PRO 30 37.342 29.012 15.185
231 H TYR 31 H TYR 31 40.624 29.709 11.217
232 HA TYR 31 HA TYR 31 41.409 27.126 10.314
233 HB2 TYR 31 HB2 TYR 31 42.246 29.880 9.320
234 HB3 TYR 31 HB3 TYR 31 42.491 28.376 8.451
235 HD1 TYR 31 HD1 TYR 31 39.499 27.386 9.411
236 HD2 TYR 31 HD2 TYR 31 41.172 30.722 7.241
237 HE1 TYR 31 HE1 TYR 31 37.391 27.622 8.134
238 HE2 TYR 31 HE2 TYR 31 39.023 30.991 6.012
239 HH TYR 31 HH TYR 31 36.874 30.108 5.667
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 13.461 32.022 18.007
2 H2 ALA 1 H2 ALA 1 12.573 33.336 18.443
3 H3 ALA 1 H3 ALA 1 14.216 33.360 18.601
4 HA ALA 1 HA ALA 1 12.713 33.187 16.092
5 HB1 ALA 1 HB1 ALA 1 14.423 35.474 17.166
6 HB2 ALA 1 HB2 ALA 1 13.604 35.422 15.590
7 HB3 ALA 1 HB3 ALA 1 12.644 35.454 17.080
8 H PHE 2 H PHE 2 13.891 32.893 14.213
9 HA PHE 2 HA PHE 2 15.949 31.041 14.372
10 HB2 PHE 2 HB2 PHE 2 15.367 32.850 12.012
11 HB3 PHE 2 HB3 PHE 2 16.099 31.252 11.952
12 HD1 PHE 2 HD1 PHE 2 14.140 29.846 13.920
13 HD2 PHE 2 HD2 PHE 2 13.502 32.490 10.578
14 HE1 PHE 2 HE1 PHE 2 11.866 28.954 13.646
15 HE2 PHE 2 HE2 PHE 2 11.240 31.542 10.278
16 HZ PHE 2 HZ PHE 2 10.395 29.778 11.813
17 H CYS 3 H CYS 3 18.167 30.985 14.278
18 HA CYS 3 HA CYS 3 19.685 33.204 15.136
19 HB2 CYS 3 HB2 CYS 3 21.647 31.871 14.673
20 HB3 CYS 3 HB3 CYS 3 20.401 30.868 15.407
21 H ASN 4 H ASN 4 20.955 34.769 14.165
22 HA ASN 4 HA ASN 4 20.409 35.246 11.288
23 HB2 ASN 4 HB2 ASN 4 19.794 36.918 13.044
24 HB3 ASN 4 HB3 ASN 4 21.493 37.121 13.416
25 HD21 ASN 4 HD21 ASN 4 19.906 39.273 10.472
26 HD22 ASN 4 HD22 ASN 4 18.992 38.525 11.789
27 H LEU 5 H LEU 5 21.883 34.706 9.812
28 HA LEU 5 HA LEU 5 24.565 33.913 10.438
29 HB2 LEU 5 HB2 LEU 5 23.238 33.072 8.592
30 HB3 LEU 5 HB3 LEU 5 23.270 34.633 7.780
31 HG LEU 5 HG LEU 5 25.781 33.019 8.401
32 HD11 LEU 5 HD11 LEU 5 24.104 33.032 5.859
33 HD12 LEU 5 HD12 LEU 5 25.646 32.178 6.088
34 HD13 LEU 5 HD13 LEU 5 24.221 31.687 7.007
35 HD21 LEU 5 HD21 LEU 5 26.360 35.316 7.723
36 HD22 LEU 5 HD22 LEU 5 26.680 34.252 6.377
37 HD23 LEU 5 HD23 LEU 5 25.207 35.242 6.373
38 H ARG 6 H ARG 6 23.289 36.960 9.030
39 HA ARG 6 HA ARG 6 25.809 38.212 8.549
40 HB2 ARG 6 HB2 ARG 6 23.819 39.094 7.540
41 HB3 ARG 6 HB3 ARG 6 23.046 39.381 9.100
42 HG2 ARG 6 HG2 ARG 6 24.641 41.119 9.671
43 HG3 ARG 6 HG3 ARG 6 25.601 40.758 8.226
44 HD2 ARG 6 HD2 ARG 6 23.734 41.528 6.786
45 HD3 ARG 6 HD3 ARG 6 22.747 41.804 8.218
46 HE ARG 6 HE ARG 6 23.832 43.790 8.609
47 HH11 ARG 6 HH11 ARG 6 25.950 42.019 6.376
48 HH12 ARG 6 HH12 ARG 6 27.110 43.348 6.410
49 HH21 ARG 6 HH21 ARG 6 25.271 45.458 8.280
50 HH22 ARG 6 HH22 ARG 6 26.791 45.088 7.449
51 H ARG 7 H ARG 7 23.757 38.225 11.476
52 HA ARG 7 HA ARG 7 25.532 39.792 13.130
53 HB2 ARG 7 HB2 ARG 7 23.085 39.240 13.533
54 HB3 ARG 7 HB3 ARG 7 23.589 37.587 13.910
55 HG2 ARG 7 HG2 ARG 7 25.036 38.524 15.775
56 HG3 ARG 7 HG3 ARG 7 24.285 40.100 15.474
57 HD2 ARG 7 HD2 ARG 7 22.829 37.508 16.173
58 HD3 ARG 7 HD3 ARG 7 23.232 38.796 17.305
59 HE ARG 7 HE ARG 7 21.816 40.290 15.712
60 HH11 ARG 7 HH11 ARG 7 20.929 36.883 16.129
61 HH12 ARG 7 HH12 ARG 7 19.236 37.262 16.122
62 HH21 ARG 7 HH21 ARG 7 19.689 40.676 15.972
63 HH22 ARG 7 HH22 ARG 7 18.543 39.351 15.814
64 H CYS 8 H CYS 8 25.244 36.237 12.683
65 HA CYS 8 HA CYS 8 27.200 35.580 14.671
66 HB2 CYS 8 HB2 CYS 8 25.535 34.015 13.880
67 HB3 CYS 8 HB3 CYS 8 26.177 34.089 12.244
68 H GLU 9 H GLU 9 27.581 36.280 11.167
69 HA GLU 9 HA GLU 9 30.416 35.816 11.049
70 HB2 GLU 9 HB2 GLU 9 28.505 37.579 9.490
71 HB3 GLU 9 HB3 GLU 9 30.255 37.712 9.284
72 HG2 GLU 9 HG2 GLU 9 30.312 35.216 8.860
73 HG3 GLU 9 HG3 GLU 9 28.549 35.256 8.781
74 H LEU 10 H LEU 10 28.624 38.836 11.988
75 HA LEU 10 HA LEU 10 30.991 40.392 12.322
76 HB2 LEU 10 HB2 LEU 10 28.784 41.349 11.981
77 HB3 LEU 10 HB3 LEU 10 28.180 40.620 13.462
78 HG LEU 10 HG LEU 10 29.677 42.030 14.809
79 HD11 LEU 10 HD11 LEU 10 30.413 43.324 12.143
80 HD12 LEU 10 HD12 LEU 10 30.814 43.978 13.744
81 HD13 LEU 10 HD13 LEU 10 31.524 42.447 13.217
82 HD21 LEU 10 HD21 LEU 10 28.011 43.619 12.819
83 HD22 LEU 10 HD22 LEU 10 27.386 42.790 14.259
84 HD23 LEU 10 HD23 LEU 10 28.503 44.158 14.432
85 H SER 11 H SER 11 29.243 38.273 14.565
86 HA SER 11 HA SER 11 30.584 38.908 16.993
87 HB2 SER 11 HB2 SER 11 28.549 37.523 16.858
88 HB3 SER 11 HB3 SER 11 29.462 36.240 16.041
89 HG SER 11 HG SER 11 29.403 35.698 18.185
90 H CYS 12 H CYS 12 31.542 36.718 14.361
91 HA CYS 12 HA CYS 12 33.998 35.871 15.766
92 HB2 CYS 12 HB2 CYS 12 32.882 35.192 13.032
93 HB3 CYS 12 HB3 CYS 12 34.234 34.390 13.817
94 H ARG 13 H ARG 13 33.109 37.886 12.921
95 HA ARG 13 HA ARG 13 35.797 38.286 12.002
96 HB2 ARG 13 HB2 ARG 13 33.772 38.545 10.642
97 HB3 ARG 13 HB3 ARG 13 33.328 40.008 11.530
98 HG2 ARG 13 HG2 ARG 13 35.095 41.262 10.571
99 HG3 ARG 13 HG3 ARG 13 36.037 39.818 10.177
100 HD2 ARG 13 HD2 ARG 13 35.126 40.821 8.143
101 HD3 ARG 13 HD3 ARG 13 34.510 39.193 8.415
102 HE ARG 13 HE ARG 13 32.957 41.692 9.056
103 HH11 ARG 13 HH11 ARG 13 32.917 38.584 7.362
104 HH12 ARG 13 HH12 ARG 13 31.168 38.529 7.381
105 HH21 ARG 13 HH21 ARG 13 30.788 41.682 8.626
106 HH22 ARG 13 HH22 ARG 13 30.001 40.225 8.108
107 H SER 14 H SER 14 33.926 39.950 14.460
108 HA SER 14 HA SER 14 35.844 42.049 14.996
109 HB2 SER 14 HB2 SER 14 33.892 40.751 16.934
110 HB3 SER 14 HB3 SER 14 34.679 42.333 17.097
111 HG SER 14 HG SER 14 32.671 41.486 15.293
112 H LEU 15 H LEU 15 36.235 38.702 15.327
113 HA LEU 15 HA LEU 15 38.435 38.967 17.323
114 HB2 LEU 15 HB2 LEU 15 37.324 36.370 16.272
115 HB3 LEU 15 HB3 LEU 15 38.220 36.657 17.749
116 HG LEU 15 HG LEU 15 35.340 37.461 17.199
117 HD11 LEU 15 HD11 LEU 15 35.686 35.022 17.353
118 HD12 LEU 15 HD12 LEU 15 36.473 35.235 18.932
119 HD13 LEU 15 HD13 LEU 15 34.757 35.645 18.727
120 HD21 LEU 15 HD21 LEU 15 36.937 37.543 19.802
121 HD22 LEU 15 HD22 LEU 15 36.408 38.958 18.876
122 HD23 LEU 15 HD23 LEU 15 35.207 37.905 19.636
123 H GLY 16 H GLY 16 37.760 38.372 13.932
124 HA2 GLY 16 HA2 GLY 16 39.519 38.603 12.291
125 HA3 GLY 16 HA3 GLY 16 40.653 37.820 13.390
126 H LEU 17 H LEU 17 37.473 36.381 13.086
127 HA LEU 17 HA LEU 17 38.323 34.410 11.035
128 HB2 LEU 17 HB2 LEU 17 37.450 32.617 12.557
129 HB3 LEU 17 HB3 LEU 17 39.092 33.191 12.789
130 HG LEU 17 HG LEU 17 36.819 34.141 14.562
131 HD11 LEU 17 HD11 LEU 17 36.987 31.608 14.557
132 HD12 LEU 17 HD12 LEU 17 38.668 31.766 15.055
133 HD13 LEU 17 HD13 LEU 17 37.374 32.348 16.117
134 HD21 LEU 17 HD21 LEU 17 39.849 33.843 14.994
135 HD22 LEU 17 HD22 LEU 17 38.976 35.369 14.869
136 HD23 LEU 17 HD23 LEU 17 38.693 34.320 16.249
137 H LEU 18 H LEU 18 36.593 33.064 10.206
138 HA LEU 18 HA LEU 18 34.246 34.776 9.802
139 HB2 LEU 18 HB2 LEU 18 35.396 33.577 7.945
140 HB3 LEU 18 HB3 LEU 18 34.883 32.046 8.637
141 HG LEU 18 HG LEU 18 32.496 32.682 8.268
142 HD11 LEU 18 HD11 LEU 18 32.028 34.620 6.759
143 HD12 LEU 18 HD12 LEU 18 32.645 35.148 8.329
144 HD13 LEU 18 HD13 LEU 18 33.717 35.129 6.916
145 HD21 LEU 18 HD21 LEU 18 32.520 32.461 5.838
146 HD22 LEU 18 HD22 LEU 18 34.241 32.904 5.795
147 HD23 LEU 18 HD23 LEU 18 33.726 31.392 6.575
148 H GLY 19 H GLY 19 32.018 33.955 10.009
149 HA2 GLY 19 HA2 GLY 19 31.598 32.035 12.257
150 HA3 GLY 19 HA3 GLY 19 30.782 33.595 12.223
151 H LYS 20 H LYS 20 29.715 30.853 12.205
152 HA LYS 20 HA LYS 20 27.731 31.148 10.050
153 HB2 LYS 20 HB2 LYS 20 29.819 29.698 9.376
154 HB3 LYS 20 HB3 LYS 20 29.173 28.500 10.506
155 HG2 LYS 20 HG2 LYS 20 28.379 27.841 8.400
156 HG3 LYS 20 HG3 LYS 20 26.998 28.649 9.131
157 HD2 LYS 20 HD2 LYS 20 27.038 29.651 7.011
158 HD3 LYS 20 HD3 LYS 20 27.997 30.807 7.962
159 HE2 LYS 20 HE2 LYS 20 30.083 29.843 7.149
160 HE3 LYS 20 HE3 LYS 20 29.214 28.534 6.341
161 HZ1 LYS 20 HZ1 LYS 20 28.169 30.210 4.906
162 HZ2 LYS 20 HZ2 LYS 20 29.069 31.403 5.624
163 HZ3 LYS 20 HZ3 LYS 20 29.788 30.204 4.743
164 H CYS 21 H CYS 21 25.725 30.066 10.504
165 HA CYS 21 HA CYS 21 25.436 29.259 13.348
166 HB2 CYS 21 HB2 CYS 21 23.868 30.964 12.529
167 HB3 CYS 21 HB3 CYS 21 23.295 29.823 11.296
168 H ILE 22 H ILE 22 25.279 27.200 13.900
169 HA ILE 22 HA ILE 22 24.604 25.092 11.881
170 HB ILE 22 HB ILE 22 26.775 24.976 14.001
171 HG12 ILE 22 HG12 ILE 22 27.531 26.340 12.101
172 HG13 ILE 22 HG13 ILE 22 28.408 24.835 12.242
173 HG21 ILE 22 HG21 ILE 22 27.307 22.767 12.964
174 HG22 ILE 22 HG22 ILE 22 25.733 22.803 13.757
175 HG23 ILE 22 HG23 ILE 22 25.825 22.891 11.989
176 HD11 ILE 22 HD11 ILE 22 26.190 25.332 10.209
177 HD12 ILE 22 HD12 ILE 22 27.930 25.420 9.897
178 HD13 ILE 22 HD13 ILE 22 27.194 23.871 10.336
179 H GLY 23 H GLY 23 22.506 24.915 12.542
180 HA2 GLY 23 HA2 GLY 23 20.796 23.877 13.705
181 HA3 GLY 23 HA3 GLY 23 21.993 23.178 14.805
182 H GLU 24 H GLU 24 20.917 26.480 13.995
183 HA GLU 24 HA GLU 24 20.412 28.315 15.153
184 HB2 GLU 24 HB2 GLU 24 19.297 26.426 17.230
185 HB3 GLU 24 HB3 GLU 24 18.983 28.153 17.144
186 HG2 GLU 24 HG2 GLU 24 18.248 26.117 14.993
187 HG3 GLU 24 HG3 GLU 24 17.158 26.866 16.159
188 H LYS 25 H LYS 25 22.932 26.529 16.285
189 HA LYS 25 HA LYS 25 23.749 28.569 18.316
190 HB2 LYS 25 HB2 LYS 25 25.310 26.127 17.394
191 HB3 LYS 25 HB3 LYS 25 25.577 27.101 18.834
192 HG2 LYS 25 HG2 LYS 25 23.298 25.170 18.288
193 HG3 LYS 25 HG3 LYS 25 24.629 24.990 19.429
194 HD2 LYS 25 HD2 LYS 25 23.718 27.077 20.630
195 HD3 LYS 25 HD3 LYS 25 22.256 26.889 19.637
196 HE2 LYS 25 HE2 LYS 25 21.970 24.574 20.485
197 HE3 LYS 25 HE3 LYS 25 23.448 24.743 21.446
198 HZ1 LYS 25 HZ1 LYS 25 21.000 26.353 21.817
199 HZ2 LYS 25 HZ2 LYS 25 21.492 25.129 22.803
200 HZ3 LYS 25 HZ3 LYS 25 22.382 26.487 22.721
201 H CYS 26 H CYS 26 25.491 29.940 17.955
202 HA CYS 26 HA CYS 26 26.501 30.151 15.143
203 HB2 CYS 26 HB2 CYS 26 25.634 32.216 16.065
204 HB3 CYS 26 HB3 CYS 26 26.655 32.030 17.495
205 H GLU 27 H GLU 27 28.577 29.620 14.585
206 HA GLU 27 HA GLU 27 30.606 29.483 16.709
207 HB2 GLU 27 HB2 GLU 27 31.440 27.323 16.145
208 HB3 GLU 27 HB3 GLU 27 29.757 27.220 16.653
209 HG2 GLU 27 HG2 GLU 27 29.053 27.013 14.289
210 HG3 GLU 27 HG3 GLU 27 30.740 27.155 13.778
211 H CYS 28 H CYS 28 32.641 29.723 16.174
212 HA CYS 28 HA CYS 28 33.142 31.093 13.610
213 HB2 CYS 28 HB2 CYS 28 34.862 31.112 16.100
214 HB3 CYS 28 HB3 CYS 28 34.914 32.220 14.721
215 H VAL 29 H VAL 29 35.400 30.935 12.686
216 HA VAL 29 HA VAL 29 36.577 28.191 12.938
217 HB VAL 29 HB VAL 29 37.003 28.349 10.461
218 HG11 VAL 29 HG11 VAL 29 34.722 27.435 9.994
219 HG12 VAL 29 HG12 VAL 29 35.472 26.754 11.448
220 HG13 VAL 29 HG13 VAL 29 34.213 27.992 11.598
221 HG21 VAL 29 HG21 VAL 29 34.582 30.184 10.448
222 HG22 VAL 29 HG22 VAL 29 36.228 30.812 10.254
223 HG23 VAL 29 HG23 VAL 29 35.576 29.651 9.084
224 HA PRO 30 HA PRO 30 40.279 30.817 13.330
225 HB2 PRO 30 HB2 PRO 30 41.733 29.296 15.056
226 HB3 PRO 30 HB3 PRO 30 40.276 30.184 15.563
227 HG2 PRO 30 HG2 PRO 30 40.445 27.272 14.739
228 HG3 PRO 30 HG3 PRO 30 39.732 27.949 16.242
229 HD2 PRO 30 HD2 PRO 30 38.231 27.356 14.037
230 HD3 PRO 30 HD3 PRO 30 37.849 28.753 15.081
231 H TYR 31 H TYR 31 39.931 29.519 10.920
232 HA TYR 31 HA TYR 31 41.868 27.529 10.237
233 HB2 TYR 31 HB2 TYR 31 40.426 29.560 8.503
234 HB3 TYR 31 HB3 TYR 31 41.304 28.167 7.898
235 HD1 TYR 31 HD1 TYR 31 38.447 28.915 7.283
236 HD2 TYR 31 HD2 TYR 31 40.134 26.257 10.245
237 HE1 TYR 31 HE1 TYR 31 36.395 27.515 7.217
238 HE2 TYR 31 HE2 TYR 31 38.084 24.885 10.180
239 HH TYR 31 HH TYR 31 36.052 24.595 9.285
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 15.449 28.996 19.473
2 H2 ALA 1 H2 ALA 1 15.232 30.076 20.721
3 H3 ALA 1 H3 ALA 1 16.749 29.681 20.203
4 HA ALA 1 HA ALA 1 14.733 31.127 18.642
5 HB1 ALA 1 HB1 ALA 1 16.350 33.014 18.777
6 HB2 ALA 1 HB2 ALA 1 15.652 32.597 20.350
7 HB3 ALA 1 HB3 ALA 1 17.310 32.096 19.948
8 H PHE 2 H PHE 2 15.201 31.527 16.515
9 HA PHE 2 HA PHE 2 17.088 29.766 15.194
10 HB2 PHE 2 HB2 PHE 2 15.563 32.140 14.075
11 HB3 PHE 2 HB3 PHE 2 16.356 30.876 13.148
12 HD1 PHE 2 HD1 PHE 2 13.326 31.840 14.898
13 HD2 PHE 2 HD2 PHE 2 15.516 28.452 13.375
14 HE1 PHE 2 HE1 PHE 2 11.309 30.428 15.162
15 HE2 PHE 2 HE2 PHE 2 13.479 27.044 13.587
16 HZ PHE 2 HZ PHE 2 11.377 28.024 14.495
17 H CYS 3 H CYS 3 19.076 30.119 14.449
18 HA CYS 3 HA CYS 3 20.603 32.393 15.489
19 HB2 CYS 3 HB2 CYS 3 21.585 30.258 15.696
20 HB3 CYS 3 HB3 CYS 3 21.284 29.839 14.011
21 H ASN 4 H ASN 4 21.716 33.897 14.303
22 HA ASN 4 HA ASN 4 20.704 34.407 11.527
23 HB2 ASN 4 HB2 ASN 4 21.544 36.364 13.707
24 HB3 ASN 4 HB3 ASN 4 20.965 36.794 12.095
25 HD21 ASN 4 HD21 ASN 4 17.541 36.073 12.901
26 HD22 ASN 4 HD22 ASN 4 18.687 36.283 11.571
27 H LEU 5 H LEU 5 22.154 34.290 9.941
28 HA LEU 5 HA LEU 5 24.881 33.544 10.486
29 HB2 LEU 5 HB2 LEU 5 23.281 34.108 7.947
30 HB3 LEU 5 HB3 LEU 5 25.017 33.834 7.916
31 HG LEU 5 HG LEU 5 24.603 31.683 9.203
32 HD11 LEU 5 HD11 LEU 5 21.792 32.025 8.064
33 HD12 LEU 5 HD12 LEU 5 22.451 30.562 8.841
34 HD13 LEU 5 HD13 LEU 5 22.195 32.021 9.789
35 HD21 LEU 5 HD21 LEU 5 24.167 30.451 7.102
36 HD22 LEU 5 HD22 LEU 5 23.614 31.958 6.338
37 HD23 LEU 5 HD23 LEU 5 25.304 31.776 6.852
38 H ARG 6 H ARG 6 23.503 36.547 9.062
39 HA ARG 6 HA ARG 6 26.096 37.722 8.535
40 HB2 ARG 6 HB2 ARG 6 23.318 38.948 8.798
41 HB3 ARG 6 HB3 ARG 6 24.760 39.874 8.342
42 HG2 ARG 6 HG2 ARG 6 25.160 38.353 6.428
43 HG3 ARG 6 HG3 ARG 6 23.703 37.442 6.831
44 HD2 ARG 6 HD2 ARG 6 23.722 40.405 6.134
45 HD3 ARG 6 HD3 ARG 6 23.471 39.123 4.954
46 HE ARG 6 HE ARG 6 21.535 40.094 6.941
47 HH11 ARG 6 HH11 ARG 6 22.211 37.282 4.830
48 HH12 ARG 6 HH12 ARG 6 20.484 36.965 4.749
49 HH21 ARG 6 HH21 ARG 6 19.490 39.469 6.787
50 HH22 ARG 6 HH22 ARG 6 19.060 38.075 5.772
51 H ARG 7 H ARG 7 23.911 38.001 11.288
52 HA ARG 7 HA ARG 7 25.517 39.693 12.961
53 HB2 ARG 7 HB2 ARG 7 23.071 39.095 13.281
54 HB3 ARG 7 HB3 ARG 7 23.561 37.465 13.707
55 HG2 ARG 7 HG2 ARG 7 24.865 38.461 15.668
56 HG3 ARG 7 HG3 ARG 7 24.121 40.012 15.267
57 HD2 ARG 7 HD2 ARG 7 21.863 38.944 15.595
58 HD3 ARG 7 HD3 ARG 7 22.671 37.442 16.059
59 HE ARG 7 HE ARG 7 23.162 40.005 17.535
60 HH11 ARG 7 HH11 ARG 7 21.597 36.814 17.831
61 HH12 ARG 7 HH12 ARG 7 21.753 36.895 19.570
62 HH21 ARG 7 HH21 ARG 7 23.441 39.813 19.727
63 HH22 ARG 7 HH22 ARG 7 22.563 38.572 20.584
64 H CYS 8 H CYS 8 25.473 36.186 12.548
65 HA CYS 8 HA CYS 8 27.387 35.566 14.584
66 HB2 CYS 8 HB2 CYS 8 25.874 33.910 13.651
67 HB3 CYS 8 HB3 CYS 8 26.573 34.091 12.061
68 H GLU 9 H GLU 9 27.838 36.200 11.062
69 HA GLU 9 HA GLU 9 30.662 35.729 10.969
70 HB2 GLU 9 HB2 GLU 9 28.837 37.590 9.442
71 HB3 GLU 9 HB3 GLU 9 30.555 37.416 9.042
72 HG2 GLU 9 HG2 GLU 9 30.280 35.096 8.476
73 HG3 GLU 9 HG3 GLU 9 28.605 35.082 9.041
74 H LEU 10 H LEU 10 28.827 38.691 11.751
75 HA LEU 10 HA LEU 10 31.114 40.367 12.151
76 HB2 LEU 10 HB2 LEU 10 28.896 41.140 11.511
77 HB3 LEU 10 HB3 LEU 10 28.198 40.537 13.011
78 HG LEU 10 HG LEU 10 29.354 42.202 14.314
79 HD11 LEU 10 HD11 LEU 10 30.666 43.050 11.690
80 HD12 LEU 10 HD12 LEU 10 30.702 43.994 13.202
81 HD13 LEU 10 HD13 LEU 10 31.489 42.422 13.141
82 HD21 LEU 10 HD21 LEU 10 28.322 44.226 13.370
83 HD22 LEU 10 HD22 LEU 10 28.210 43.462 11.773
84 HD23 LEU 10 HD23 LEU 10 27.244 42.839 13.119
85 H SER 11 H SER 11 29.223 38.295 14.351
86 HA SER 11 HA SER 11 30.526 39.022 16.802
87 HB2 SER 11 HB2 SER 11 28.436 37.682 16.648
88 HB3 SER 11 HB3 SER 11 29.360 36.317 16.002
89 HG SER 11 HG SER 11 30.210 35.935 17.914
90 H CYS 12 H CYS 12 31.388 36.689 14.251
91 HA CYS 12 HA CYS 12 33.804 35.761 15.585
92 HB2 CYS 12 HB2 CYS 12 32.874 35.498 12.706
93 HB3 CYS 12 HB3 CYS 12 34.161 34.564 13.482
94 H ARG 13 H ARG 13 32.989 38.348 13.297
95 HA ARG 13 HA ARG 13 35.640 39.007 12.442
96 HB2 ARG 13 HB2 ARG 13 33.334 39.918 11.582
97 HB3 ARG 13 HB3 ARG 13 33.520 41.137 12.838
98 HG2 ARG 13 HG2 ARG 13 35.764 41.729 11.831
99 HG3 ARG 13 HG3 ARG 13 35.485 40.513 10.582
100 HD2 ARG 13 HD2 ARG 13 34.962 42.646 9.637
101 HD3 ARG 13 HD3 ARG 13 33.430 41.782 9.867
102 HE ARG 13 HE ARG 13 33.887 43.317 12.206
103 HH11 ARG 13 HH11 ARG 13 33.330 44.221 8.855
104 HH12 ARG 13 HH12 ARG 13 32.518 45.691 9.359
105 HH21 ARG 13 HH21 ARG 13 32.922 45.041 12.698
106 HH22 ARG 13 HH22 ARG 13 32.105 46.061 11.528
107 H SER 14 H SER 14 33.877 40.040 15.371
108 HA SER 14 HA SER 14 35.881 41.722 16.493
109 HB2 SER 14 HB2 SER 14 33.600 41.434 17.400
110 HB3 SER 14 HB3 SER 14 34.019 39.803 17.936
111 HG SER 14 HG SER 14 35.028 40.612 19.599
112 H LEU 15 H LEU 15 35.844 38.181 16.241
113 HA LEU 15 HA LEU 15 38.216 37.840 17.976
114 HB2 LEU 15 HB2 LEU 15 37.019 35.776 16.121
115 HB3 LEU 15 HB3 LEU 15 37.977 35.521 17.566
116 HG LEU 15 HG LEU 15 35.104 36.525 17.450
117 HD11 LEU 15 HD11 LEU 15 34.527 34.330 18.328
118 HD12 LEU 15 HD12 LEU 15 35.406 34.154 16.807
119 HD13 LEU 15 HD13 LEU 15 36.235 33.842 18.349
120 HD21 LEU 15 HD21 LEU 15 36.254 37.416 19.450
121 HD22 LEU 15 HD22 LEU 15 35.120 36.144 19.917
122 HD23 LEU 15 HD23 LEU 15 36.859 35.794 19.850
123 H GLY 16 H GLY 16 37.454 38.184 14.573
124 HA2 GLY 16 HA2 GLY 16 39.082 38.950 12.980
125 HA3 GLY 16 HA3 GLY 16 40.333 38.005 13.793
126 H LEU 17 H LEU 17 37.183 36.543 13.186
127 HA LEU 17 HA LEU 17 38.161 35.081 10.793
128 HB2 LEU 17 HB2 LEU 17 37.292 32.955 11.948
129 HB3 LEU 17 HB3 LEU 17 38.931 33.506 12.229
130 HG LEU 17 HG LEU 17 36.794 34.271 14.220
131 HD11 LEU 17 HD11 LEU 17 36.665 31.761 13.755
132 HD12 LEU 17 HD12 LEU 17 38.311 31.649 14.352
133 HD13 LEU 17 HD13 LEU 17 37.024 32.226 15.429
134 HD21 LEU 17 HD21 LEU 17 39.147 35.136 14.541
135 HD22 LEU 17 HD22 LEU 17 38.687 34.021 15.821
136 HD23 LEU 17 HD23 LEU 17 39.749 33.487 14.496
137 H LEU 18 H LEU 18 36.393 33.619 9.875
138 HA LEU 18 HA LEU 18 33.863 35.190 9.758
139 HB2 LEU 18 HB2 LEU 18 35.153 33.085 8.016
140 HB3 LEU 18 HB3 LEU 18 33.429 33.408 7.865
141 HG LEU 18 HG LEU 18 35.499 35.622 7.633
142 HD11 LEU 18 HD11 LEU 18 35.946 33.921 5.910
143 HD12 LEU 18 HD12 LEU 18 34.240 33.954 5.417
144 HD13 LEU 18 HD13 LEU 18 35.270 35.385 5.198
145 HD21 LEU 18 HD21 LEU 18 33.148 36.361 8.040
146 HD22 LEU 18 HD22 LEU 18 33.686 36.773 6.413
147 HD23 LEU 18 HD23 LEU 18 32.611 35.382 6.656
148 H GLY 19 H GLY 19 31.831 33.601 9.408
149 HA2 GLY 19 HA2 GLY 19 31.837 31.221 11.046
150 HA3 GLY 19 HA3 GLY 19 31.068 32.572 11.877
151 H LYS 20 H LYS 20 29.609 30.511 11.627
152 HA LYS 20 HA LYS 20 27.310 31.278 10.093
153 HB2 LYS 20 HB2 LYS 20 27.053 29.239 8.721
154 HB3 LYS 20 HB3 LYS 20 28.355 30.283 8.214
155 HG2 LYS 20 HG2 LYS 20 29.038 28.032 7.949
156 HG3 LYS 20 HG3 LYS 20 30.026 28.740 9.221
157 HD2 LYS 20 HD2 LYS 20 28.837 27.530 10.934
158 HD3 LYS 20 HD3 LYS 20 27.546 27.076 9.793
159 HE2 LYS 20 HE2 LYS 20 29.174 25.749 8.479
160 HE3 LYS 20 HE3 LYS 20 30.464 26.188 9.616
161 HZ1 LYS 20 HZ1 LYS 20 29.301 24.984 11.350
162 HZ2 LYS 20 HZ2 LYS 20 28.028 24.637 10.349
163 HZ3 LYS 20 HZ3 LYS 20 29.506 23.996 10.079
164 H CYS 21 H CYS 21 25.496 29.424 10.402
165 HA CYS 21 HA CYS 21 25.479 29.107 13.338
166 HB2 CYS 21 HB2 CYS 21 23.369 28.619 11.222
167 HB3 CYS 21 HB3 CYS 21 23.109 28.498 12.958
168 H ILE 22 H ILE 22 25.524 27.175 14.474
169 HA ILE 22 HA ILE 22 26.031 24.645 12.950
170 HB ILE 22 HB ILE 22 27.692 25.036 14.545
171 HG12 ILE 22 HG12 ILE 22 25.848 23.018 15.875
172 HG13 ILE 22 HG13 ILE 22 26.707 22.713 14.359
173 HG21 ILE 22 HG21 ILE 22 26.702 26.689 16.008
174 HG22 ILE 22 HG22 ILE 22 25.524 25.503 16.618
175 HG23 ILE 22 HG23 ILE 22 27.248 25.344 16.985
176 HD11 ILE 22 HD11 ILE 22 28.877 23.089 15.530
177 HD12 ILE 22 HD12 ILE 22 27.988 23.242 17.068
178 HD13 ILE 22 HD13 ILE 22 27.940 21.724 16.166
179 H GLY 23 H GLY 23 23.588 26.291 14.705
180 HA2 GLY 23 HA2 GLY 23 21.448 24.586 13.910
181 HA3 GLY 23 HA3 GLY 23 21.886 24.222 15.592
182 H GLU 24 H GLU 24 20.830 25.430 17.061
183 HA GLU 24 HA GLU 24 19.694 28.081 16.452
184 HB2 GLU 24 HB2 GLU 24 19.791 26.344 18.923
185 HB3 GLU 24 HB3 GLU 24 19.201 28.007 18.947
186 HG2 GLU 24 HG2 GLU 24 17.654 27.194 16.951
187 HG3 GLU 24 HG3 GLU 24 17.942 25.590 17.646
188 H LYS 25 H LYS 25 22.834 27.017 17.304
189 HA LYS 25 HA LYS 25 23.554 29.781 18.290
190 HB2 LYS 25 HB2 LYS 25 25.129 27.190 18.572
191 HB3 LYS 25 HB3 LYS 25 25.638 28.765 19.086
192 HG2 LYS 25 HG2 LYS 25 23.461 28.883 20.463
193 HG3 LYS 25 HG3 LYS 25 23.402 27.100 20.178
194 HD2 LYS 25 HD2 LYS 25 25.708 26.932 21.192
195 HD3 LYS 25 HD3 LYS 25 25.676 28.660 21.490
196 HE2 LYS 25 HE2 LYS 25 23.660 28.387 22.936
197 HE3 LYS 25 HE3 LYS 25 23.729 26.640 22.630
198 HZ1 LYS 25 HZ1 LYS 25 25.763 28.244 24.102
199 HZ2 LYS 25 HZ2 LYS 25 24.805 27.053 24.674
200 HZ3 LYS 25 HZ3 LYS 25 26.001 26.692 23.626
201 H CYS 26 H CYS 26 25.491 30.669 17.734
202 HA CYS 26 HA CYS 26 26.373 30.481 14.926
203 HB2 CYS 26 HB2 CYS 26 25.903 32.681 15.799
204 HB3 CYS 26 HB3 CYS 26 26.852 32.349 17.269
205 H GLU 27 H GLU 27 28.401 29.811 14.266
206 HA GLU 27 HA GLU 27 30.518 29.435 16.288
207 HB2 GLU 27 HB2 GLU 27 31.165 27.335 15.579
208 HB3 GLU 27 HB3 GLU 27 29.459 27.210 15.953
209 HG2 GLU 27 HG2 GLU 27 28.873 26.989 13.632
210 HG3 GLU 27 HG3 GLU 27 30.465 27.543 13.101
211 H CYS 28 H CYS 28 32.698 29.266 15.312
212 HA CYS 28 HA CYS 28 32.873 31.096 12.967
213 HB2 CYS 28 HB2 CYS 28 34.655 31.129 15.409
214 HB3 CYS 28 HB3 CYS 28 34.617 32.286 14.053
215 H VAL 29 H VAL 29 35.000 31.073 11.842
216 HA VAL 29 HA VAL 29 36.113 28.303 11.750
217 HB VAL 29 HB VAL 29 36.812 28.817 9.473
218 HG11 VAL 29 HG11 VAL 29 34.841 27.474 10.049
219 HG12 VAL 29 HG12 VAL 29 33.851 28.946 10.138
220 HG13 VAL 29 HG13 VAL 29 34.546 28.442 8.578
221 HG21 VAL 29 HG21 VAL 29 35.808 30.549 8.182
222 HG22 VAL 29 HG22 VAL 29 34.850 31.108 9.550
223 HG23 VAL 29 HG23 VAL 29 36.610 31.371 9.540
224 HA PRO 30 HA PRO 30 39.792 30.440 13.309
225 HB2 PRO 30 HB2 PRO 30 40.770 28.548 15.003
226 HB3 PRO 30 HB3 PRO 30 39.283 29.460 15.394
227 HG2 PRO 30 HG2 PRO 30 39.481 26.725 14.056
228 HG3 PRO 30 HG3 PRO 30 38.540 27.170 15.515
229 HD2 PRO 30 HD2 PRO 30 37.406 27.141 13.043
230 HD3 PRO 30 HD3 PRO 30 36.963 28.379 14.263
231 H TYR 31 H TYR 31 39.595 29.098 10.751
232 HA TYR 31 HA TYR 31 42.203 27.687 10.475
233 HB2 TYR 31 HB2 TYR 31 40.006 27.533 8.453
234 HB3 TYR 31 HB3 TYR 31 41.292 26.402 8.776
235 HD1 TYR 31 HD1 TYR 31 41.116 25.439 11.409
236 HD2 TYR 31 HD2 TYR 31 37.883 26.775 8.886
237 HE1 TYR 31 HE1 TYR 31 39.511 23.979 12.670
238 HE2 TYR 31 HE2 TYR 31 36.294 25.330 10.141
239 HH TYR 31 HH TYR 31 36.042 23.806 11.777