NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5955 |
1i8x   |
4971 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H VAL 1 HT1 VAL 1 -11.147 4.408 -0.296
2 2H VAL 1 HT2 VAL 1 -10.774 5.768 -1.230
3 3H VAL 1 HT3 VAL 1 -10.245 5.673 0.374
4 HA VAL 1 HA VAL 1 -9.413 3.490 -1.327
5 HB VAL 1 HB VAL 1 -7.510 4.859 -2.248
6 1HG1 VAL 1 HG11 VAL 1 -10.018 4.369 -3.267
7 2HG1 VAL 1 HG12 VAL 1 -8.622 4.940 -4.182
8 3HG1 VAL 1 HG13 VAL 1 -9.798 6.095 -3.555
9 1HG2 VAL 1 HG21 VAL 1 -7.645 6.796 -0.829
10 2HG2 VAL 1 HG22 VAL 1 -9.286 7.136 -1.380
11 3HG2 VAL 1 HG23 VAL 1 -7.930 7.296 -2.497
12 H ILE 2 HN ILE 2 -6.737 3.757 -1.060
13 HA ILE 2 HA ILE 2 -6.350 3.939 1.857
14 HB ILE 2 HB ILE 2 -5.113 2.027 -0.124
15 1HG1 ILE 2 HG12 ILE 2 -5.988 0.418 1.734
16 2HG1 ILE 2 HG11 ILE 2 -6.993 1.785 2.205
17 1HG2 ILE 2 HG21 ILE 2 -4.019 3.064 2.347
18 2HG2 ILE 2 HG22 ILE 2 -3.264 2.050 1.117
19 3HG2 ILE 2 HG23 ILE 2 -4.222 1.313 2.402
20 1HD1 ILE 2 HD11 ILE 2 -8.106 0.157 0.703
21 2HD1 ILE 2 HD12 ILE 2 -6.953 0.598 -0.556
22 3HD1 ILE 2 HD13 ILE 2 -8.071 1.805 0.077
23 H HIS 3 HN HIS 3 -5.178 5.658 2.366
24 HA HIS 3 HA HIS 3 -3.143 6.623 0.482
25 1HB HIS 3 HB2 HIS 3 -4.813 7.922 2.583
26 2HB HIS 3 HB1 HIS 3 -3.222 8.603 2.260
27 HD1 HIS 3 HD1 HIS 3 -2.821 9.523 -0.188
28 HD2 HIS 3 HD2 HIS 3 -6.748 8.501 0.709
29 HE1 HIS 3 HE1 HIS 3 -4.221 10.591 -1.983
30 HE2 HIS 3 HE2 HIS 3 -6.586 9.896 -1.463
31 H CYS 4 HN CYS 4 -3.631 5.859 3.909
32 HA CYS 4 HA CYS 4 -2.206 5.285 5.578
33 1HB CYS 4 HB2 CYS 4 -1.343 3.907 3.267
34 2HB CYS 4 HB1 CYS 4 0.109 4.478 4.081
35 H ASP 5 HN ASP 5 0.516 5.966 3.470
36 HA ASP 5 HA ASP 5 1.535 7.892 5.351
37 1HB ASP 5 HB2 ASP 5 2.758 6.131 3.719
38 2HB ASP 5 HB1 ASP 5 2.843 7.569 2.707
39 H ALA 6 HN ALA 6 -0.791 8.186 3.143
40 HA ALA 6 HA ALA 6 -1.735 9.891 1.971
41 1HB ALA 6 HB1 ALA 6 -0.398 12.170 2.997
42 2HB ALA 6 HB2 ALA 6 -0.608 11.025 4.322
43 3HB ALA 6 HB3 ALA 6 -2.007 11.569 3.396
44 H ALA 7 HN ALA 7 0.791 8.687 1.028
45 HA ALA 7 HA ALA 7 1.609 10.858 -0.785
46 1HB ALA 7 HB1 ALA 7 3.737 8.970 -0.464
47 2HB ALA 7 HB2 ALA 7 3.245 9.580 1.116
48 3HB ALA 7 HB3 ALA 7 3.732 10.706 -0.151
49 H THR 8 HN THR 8 0.455 7.702 -0.379
50 HA THR 8 HA THR 8 0.605 7.249 -3.264
51 HB THR 8 HB THR 8 0.965 4.721 -1.956
52 HG1 THR 8 HG1 THR 8 2.962 6.683 -1.402
53 1HG2 THR 8 HG21 THR 8 2.174 4.357 -3.804
54 2HG2 THR 8 HG22 THR 8 3.228 5.733 -3.478
55 3HG2 THR 8 HG23 THR 8 1.692 5.976 -4.310
56 H ILE 9 HN ILE 9 -1.339 6.737 -4.016
57 HA ILE 9 HA ILE 9 -3.455 6.007 -2.169
58 HB ILE 9 HB ILE 9 -3.789 6.259 -5.145
59 1HG1 ILE 9 HG12 ILE 9 -3.933 8.558 -3.186
60 2HG1 ILE 9 HG11 ILE 9 -2.534 8.243 -4.208
61 1HG2 ILE 9 HG21 ILE 9 -5.680 5.393 -3.921
62 2HG2 ILE 9 HG22 ILE 9 -6.041 7.026 -4.480
63 3HG2 ILE 9 HG23 ILE 9 -5.610 6.746 -2.793
64 1HD1 ILE 9 HD11 ILE 9 -4.826 8.274 -5.868
65 2HD1 ILE 9 HD12 ILE 9 -3.475 9.407 -5.831
66 3HD1 ILE 9 HD13 ILE 9 -4.890 9.689 -4.818
67 H CYS 10 HN CYS 10 -4.857 4.186 -2.510
68 HA CYS 10 HA CYS 10 -3.833 2.040 -4.203
69 1HB CYS 10 HB2 CYS 10 -4.011 1.953 -1.208
70 2HB CYS 10 HB1 CYS 10 -4.204 0.479 -2.150
71 HA PRO 11 HA PRO 11 -8.101 1.204 -4.948
72 1HB PRO 11 HB2 PRO 11 -7.514 -1.689 -4.860
73 2HB PRO 11 HB1 PRO 11 -8.128 -0.708 -6.193
74 1HG PRO 11 HG2 PRO 11 -5.625 -1.653 -6.204
75 2HG PRO 11 HG1 PRO 11 -6.012 -0.052 -6.861
76 1HD PRO 11 HD2 PRO 11 -4.792 -0.773 -4.221
77 2HD PRO 11 HD1 PRO 11 -4.367 0.544 -5.334
78 H ASP 12 HN ASP 12 -9.926 0.849 -3.791
79 HA ASP 12 HA ASP 12 -9.792 0.451 -1.024
80 1HB ASP 12 HB2 ASP 12 -12.390 -0.259 -2.139
81 2HB ASP 12 HB1 ASP 12 -11.954 1.063 -1.062
82 H GLY 13 HN GLY 13 -8.987 -1.380 -0.197
83 1HA GLY 13 HA2 GLY 13 -10.045 -3.616 0.460
84 2HA GLY 13 HA1 GLY 13 -9.973 -3.945 -1.264
85 H THR 14 HN THR 14 -7.343 -2.102 -0.592
86 HA THR 14 HA THR 14 -5.651 -4.472 -0.130
87 HB THR 14 HB THR 14 -3.864 -3.248 -1.370
88 HG1 THR 14 HG1 THR 14 -4.650 -1.130 -1.209
89 1HG2 THR 14 HG21 THR 14 -4.586 -3.936 -3.476
90 2HG2 THR 14 HG22 THR 14 -6.263 -3.494 -3.152
91 3HG2 THR 14 HG23 THR 14 -5.561 -4.917 -2.382
92 H THR 15 HN THR 15 -3.711 -4.168 1.078
93 HA THR 15 HA THR 15 -3.920 -1.967 3.014
94 HB THR 15 HB THR 15 -4.021 -4.193 4.016
95 HG1 THR 15 HG1 THR 15 -1.657 -2.687 4.496
96 1HG2 THR 15 HG21 THR 15 -1.312 -5.038 3.703
97 2HG2 THR 15 HG22 THR 15 -2.020 -4.800 2.106
98 3HG2 THR 15 HG23 THR 15 -2.792 -5.888 3.258
99 H CYS 16 HN CYS 16 -1.968 -0.951 3.765
100 HA CYS 16 HA CYS 16 -0.111 -0.455 1.609
101 1HB CYS 16 HB2 CYS 16 0.688 0.824 4.046
102 2HB CYS 16 HB1 CYS 16 0.058 1.554 2.574
103 H SER 17 HN SER 17 1.566 -1.755 1.287
104 HA SER 17 HA SER 17 2.997 -2.791 3.647
105 1HB SER 17 HB2 SER 17 2.982 -4.298 1.055
106 2HB SER 17 HB1 SER 17 3.242 -4.898 2.693
107 HG SER 17 HG SER 17 0.756 -3.818 1.917
108 H LEU 18 HN LEU 18 5.137 -2.441 3.710
109 HA LEU 18 HA LEU 18 6.325 -0.909 1.544
110 1HB LEU 18 HB2 LEU 18 6.813 -1.271 4.402
111 2HB LEU 18 HB1 LEU 18 8.286 -1.265 3.451
112 HG LEU 18 HG LEU 18 6.211 0.927 3.526
113 1HD1 LEU 18 HD11 LEU 18 9.048 1.282 4.334
114 2HD1 LEU 18 HD12 LEU 18 7.953 0.469 5.452
115 3HD1 LEU 18 HD13 LEU 18 7.596 2.107 4.903
116 1HD2 LEU 18 HD21 LEU 18 7.053 1.004 1.349
117 2HD2 LEU 18 HD22 LEU 18 8.675 0.537 1.860
118 3HD2 LEU 18 HD23 LEU 18 8.063 2.148 2.234
119 H SER 19 HN SER 19 7.912 -1.586 0.216
120 HA SER 19 HA SER 19 8.455 -4.424 0.109
121 1HB SER 19 HB2 SER 19 8.954 -4.073 -2.081
122 2HB SER 19 HB1 SER 19 8.153 -2.523 -1.822
123 HG SER 19 HG SER 19 10.311 -1.732 -1.239
124 HA PRO 20 HA PRO 20 12.403 -4.613 2.064
125 1HB PRO 20 HB2 PRO 20 13.565 -5.765 -0.416
126 2HB PRO 20 HB1 PRO 20 13.535 -6.421 1.225
127 1HG PRO 20 HG2 PRO 20 11.951 -7.424 -0.664
128 2HG PRO 20 HG1 PRO 20 11.372 -7.234 1.002
129 1HD PRO 20 HD2 PRO 20 10.812 -5.547 -1.406
130 2HD PRO 20 HD1 PRO 20 9.718 -6.044 -0.098
131 H TYR 21 HN TYR 21 12.001 -2.923 -0.875
132 HA TYR 21 HA TYR 21 14.605 -1.587 -0.534
133 1HB TYR 21 HB2 TYR 21 13.202 -1.093 -3.063
134 2HB TYR 21 HB1 TYR 21 14.881 -1.535 -2.774
135 HD1 TYR 21 HD1 TYR 21 11.867 -2.604 -4.186
136 HD2 TYR 21 HD2 TYR 21 15.207 -4.064 -1.990
137 HE1 TYR 21 HE1 TYR 21 11.396 -4.879 -4.992
138 HE2 TYR 21 HE2 TYR 21 14.745 -6.342 -2.791
139 HH TYR 21 HH TYR 21 13.506 -7.602 -4.150
140 H GLY 22 HN GLY 22 11.981 -1.075 0.812
141 1HA GLY 22 HA2 GLY 22 10.810 0.753 1.549
142 2HA GLY 22 HA1 GLY 22 12.091 1.735 0.851
143 H VAL 23 HN VAL 23 9.595 -0.406 -0.518
144 HA VAL 23 HA VAL 23 8.682 1.869 -2.152
145 HB VAL 23 HB VAL 23 8.677 -1.014 -3.052
146 1HG1 VAL 23 HG11 VAL 23 7.700 1.532 -4.173
147 2HG1 VAL 23 HG12 VAL 23 7.122 -0.116 -4.419
148 3HG1 VAL 23 HG13 VAL 23 8.540 0.461 -5.295
149 1HG2 VAL 23 HG21 VAL 23 10.886 0.722 -2.864
150 2HG2 VAL 23 HG22 VAL 23 10.445 0.648 -4.570
151 3HG2 VAL 23 HG23 VAL 23 10.798 -0.836 -3.686
152 H TRP 24 HN TRP 24 6.703 2.442 -1.543
153 HA TRP 24 HA TRP 24 4.995 0.728 -0.032
154 1HB TRP 24 HB2 TRP 24 4.555 3.440 -1.285
155 2HB TRP 24 HB1 TRP 24 3.341 2.617 -0.312
156 HD1 TRP 24 HD1 TRP 24 6.369 4.798 -0.028
157 HE1 TRP 24 HE1 TRP 24 6.911 5.219 2.453
158 HE3 TRP 24 HE3 TRP 24 3.251 1.339 2.084
159 HZ2 TRP 24 HZ2 TRP 24 6.122 4.218 4.971
160 HZ3 TRP 24 HZ3 TRP 24 3.205 1.135 4.536
161 HH2 TRP 24 HH2 TRP 24 4.611 2.545 5.948
162 H TYR 25 HN TYR 25 3.668 -0.780 -0.783
163 HA TYR 25 HA TYR 25 2.384 -0.380 -3.382
164 1HB TYR 25 HB2 TYR 25 2.810 -2.696 -4.046
165 2HB TYR 25 HB1 TYR 25 4.320 -1.829 -3.797
166 HD1 TYR 25 HD1 TYR 25 5.828 -2.448 -2.020
167 HD2 TYR 25 HD2 TYR 25 2.105 -4.453 -2.487
168 HE1 TYR 25 HE1 TYR 25 6.596 -4.217 -0.494
169 HE2 TYR 25 HE2 TYR 25 2.862 -6.226 -0.960
170 HH TYR 25 HH TYR 25 5.161 -7.168 -0.228
171 H CYS 26 HN CYS 26 0.428 -1.555 -3.676
172 HA CYS 26 HA CYS 26 -0.976 -1.987 -1.167
173 1HB CYS 26 HB2 CYS 26 -2.377 -2.318 -3.765
174 2HB CYS 26 HB1 CYS 26 -2.902 -1.501 -2.296
175 H SER 27 HN SER 27 -1.394 -3.914 -0.338
176 HA SER 27 HA SER 27 -1.107 -6.281 -2.071
177 1HB SER 27 HB2 SER 27 0.535 -5.869 -0.092
178 2HB SER 27 HB1 SER 27 -0.816 -6.382 0.918
179 HG SER 27 HG SER 27 -0.629 -8.127 -1.043
180 HA PRO 28 HA PRO 28 -5.496 -6.711 -1.221
181 1HB PRO 28 HB2 PRO 28 -5.813 -9.092 -2.518
182 2HB PRO 28 HB1 PRO 28 -5.755 -7.531 -3.343
183 1HG PRO 28 HG2 PRO 28 -3.586 -9.561 -2.979
184 2HG PRO 28 HG1 PRO 28 -4.009 -8.621 -4.422
185 1HD PRO 28 HD2 PRO 28 -1.940 -7.946 -2.835
186 2HD PRO 28 HD1 PRO 28 -2.931 -6.725 -3.659
187 H PHE 29 HN PHE 29 -6.618 -7.679 0.377
188 HA PHE 29 HA PHE 29 -5.573 -10.152 1.554
189 1HB PHE 29 HB2 PHE 29 -5.964 -9.219 3.833
190 2HB PHE 29 HB1 PHE 29 -4.670 -8.409 2.958
191 HD1 PHE 29 HD1 PHE 29 -8.121 -8.102 4.181
192 HD2 PHE 29 HD2 PHE 29 -4.842 -6.112 2.338
193 HE1 PHE 29 HE1 PHE 29 -9.221 -5.936 4.571
194 HE2 PHE 29 HE2 PHE 29 -5.936 -3.943 2.725
195 HZ PHE 29 HZ PHE 29 -8.128 -3.853 3.843
196 H SER 30 HN SER 30 -7.172 -11.096 3.145
197 HA SER 30 HA SER 30 -9.927 -10.330 2.868
198 1HB SER 30 HB2 SER 30 -9.440 -11.592 0.739
199 2HB SER 30 HB1 SER 30 -9.119 -13.014 1.732
200 HG SER 30 HG SER 30 -11.475 -11.859 2.398
Start of MODEL 2
1 1H VAL 1 HT1 VAL 1 10.784 5.595 -0.037
2 2H VAL 1 HT2 VAL 1 11.383 4.028 0.175
3 3H VAL 1 HT3 VAL 1 11.346 5.103 1.481
4 HA VAL 1 HA VAL 1 9.569 3.352 1.449
5 HB VAL 1 HB VAL 1 7.722 5.111 1.912
6 1HG1 VAL 1 HG11 VAL 1 10.244 5.380 3.528
7 2HG1 VAL 1 HG12 VAL 1 9.232 3.936 3.567
8 3HG1 VAL 1 HG13 VAL 1 8.573 5.489 4.082
9 1HG2 VAL 1 HG21 VAL 1 8.121 7.253 1.474
10 2HG2 VAL 1 HG22 VAL 1 9.601 6.760 0.651
11 3HG2 VAL 1 HG23 VAL 1 9.646 7.199 2.359
12 H ILE 2 HN ILE 2 7.067 3.557 0.841
13 HA ILE 2 HA ILE 2 6.993 3.650 -2.097
14 HB ILE 2 HB ILE 2 4.971 2.214 -0.410
15 1HG1 ILE 2 HG12 ILE 2 7.172 1.374 0.285
16 2HG1 ILE 2 HG11 ILE 2 6.290 0.158 -0.632
17 1HG2 ILE 2 HG21 ILE 2 4.336 1.169 -2.345
18 2HG2 ILE 2 HG22 ILE 2 5.924 1.345 -3.092
19 3HG2 ILE 2 HG23 ILE 2 4.847 2.736 -2.972
20 1HD1 ILE 2 HD11 ILE 2 7.794 0.144 -2.303
21 2HD1 ILE 2 HD12 ILE 2 8.864 0.773 -1.050
22 3HD1 ILE 2 HD13 ILE 2 8.099 1.878 -2.192
23 H HIS 3 HN HIS 3 5.863 5.223 -3.004
24 HA HIS 3 HA HIS 3 3.622 6.408 -1.502
25 1HB HIS 3 HB2 HIS 3 5.733 7.724 -3.197
26 2HB HIS 3 HB1 HIS 3 4.177 8.499 -2.920
27 HD1 HIS 3 HD1 HIS 3 4.735 10.341 -1.344
28 HD2 HIS 3 HD2 HIS 3 6.422 6.724 -0.186
29 HE1 HIS 3 HE1 HIS 3 5.774 10.773 0.905
30 HE2 HIS 3 HE2 HIS 3 6.838 8.585 1.561
31 H CYS 4 HN CYS 4 1.721 6.053 -2.441
32 HA CYS 4 HA CYS 4 1.659 5.698 -5.365
33 1HB CYS 4 HB2 CYS 4 0.508 4.091 -3.179
34 2HB CYS 4 HB1 CYS 4 -0.579 4.397 -4.529
35 H ASP 5 HN ASP 5 0.424 7.427 -2.679
36 HA ASP 5 HA ASP 5 -1.295 8.957 -4.467
37 1HB ASP 5 HB2 ASP 5 -2.990 8.903 -2.399
38 2HB ASP 5 HB1 ASP 5 -3.070 7.732 -3.712
39 H ALA 6 HN ALA 6 1.150 9.016 -2.437
40 HA ALA 6 HA ALA 6 2.165 10.565 -1.113
41 1HB ALA 6 HB1 ALA 6 1.248 11.888 -3.275
42 2HB ALA 6 HB2 ALA 6 2.199 12.639 -1.993
43 3HB ALA 6 HB3 ALA 6 0.442 12.787 -1.989
44 H ALA 7 HN ALA 7 -0.436 9.273 -0.249
45 HA ALA 7 HA ALA 7 -1.048 11.159 1.932
46 1HB ALA 7 HB1 ALA 7 -3.241 9.427 1.652
47 2HB ALA 7 HB2 ALA 7 -2.829 9.971 0.026
48 3HB ALA 7 HB3 ALA 7 -3.174 11.151 1.291
49 H THR 8 HN THR 8 -1.177 7.724 1.002
50 HA THR 8 HA THR 8 -0.720 7.005 3.815
51 HB THR 8 HB THR 8 -1.478 5.027 1.685
52 HG1 THR 8 HG1 THR 8 -3.692 5.589 2.819
53 1HG2 THR 8 HG21 THR 8 -1.060 4.976 4.513
54 2HG2 THR 8 HG22 THR 8 -1.445 3.641 3.427
55 3HG2 THR 8 HG23 THR 8 -2.744 4.575 4.170
56 H ILE 9 HN ILE 9 1.498 7.252 3.933
57 HA ILE 9 HA ILE 9 3.315 6.252 2.004
58 HB ILE 9 HB ILE 9 3.917 6.760 4.915
59 1HG1 ILE 9 HG12 ILE 9 4.158 8.772 2.681
60 2HG1 ILE 9 HG11 ILE 9 2.716 8.656 3.685
61 1HG2 ILE 9 HG21 ILE 9 5.542 5.625 3.167
62 2HG2 ILE 9 HG22 ILE 9 6.129 6.788 4.356
63 3HG2 ILE 9 HG23 ILE 9 5.819 7.303 2.698
64 1HD1 ILE 9 HD11 ILE 9 4.436 8.877 5.642
65 2HD1 ILE 9 HD12 ILE 9 3.876 10.300 4.762
66 3HD1 ILE 9 HD13 ILE 9 5.447 9.593 4.387
67 H CYS 10 HN CYS 10 4.354 4.344 1.827
68 HA CYS 10 HA CYS 10 3.653 2.241 3.770
69 1HB CYS 10 HB2 CYS 10 3.859 2.214 0.783
70 2HB CYS 10 HB1 CYS 10 4.207 0.739 1.678
71 HA PRO 11 HA PRO 11 7.991 1.598 4.361
72 1HB PRO 11 HB2 PRO 11 8.126 -0.994 5.037
73 2HB PRO 11 HB1 PRO 11 7.324 0.191 6.074
74 1HG PRO 11 HG2 PRO 11 6.126 -1.776 4.167
75 2HG PRO 11 HG1 PRO 11 5.585 -1.320 5.792
76 1HD PRO 11 HD2 PRO 11 4.501 -0.331 3.467
77 2HD PRO 11 HD1 PRO 11 4.452 0.512 5.027
78 H ASP 12 HN ASP 12 9.845 1.003 3.284
79 HA ASP 12 HA ASP 12 9.653 0.279 0.580
80 1HB ASP 12 HB2 ASP 12 11.568 1.491 1.091
81 2HB ASP 12 HB1 ASP 12 11.933 0.519 2.513
82 H GLY 13 HN GLY 13 8.966 -1.623 -0.120
83 1HA GLY 13 HA2 GLY 13 9.963 -3.931 -0.456
84 2HA GLY 13 HA1 GLY 13 9.872 -4.051 1.294
85 H THR 14 HN THR 14 7.297 -2.323 -0.109
86 HA THR 14 HA THR 14 5.608 -4.713 -0.293
87 HB THR 14 HB THR 14 3.812 -3.194 0.903
88 HG1 THR 14 HG1 THR 14 4.649 -1.735 2.294
89 1HG2 THR 14 HG21 THR 14 4.162 -4.404 2.890
90 2HG2 THR 14 HG22 THR 14 5.905 -4.484 2.635
91 3HG2 THR 14 HG23 THR 14 4.820 -5.431 1.617
92 H THR 15 HN THR 15 3.652 -4.407 -1.490
93 HA THR 15 HA THR 15 3.842 -2.167 -3.383
94 HB THR 15 HB THR 15 3.928 -4.282 -4.512
95 HG1 THR 15 HG1 THR 15 2.184 -3.988 -5.892
96 1HG2 THR 15 HG21 THR 15 2.914 -6.105 -3.736
97 2HG2 THR 15 HG22 THR 15 1.334 -5.362 -3.988
98 3HG2 THR 15 HG23 THR 15 2.182 -5.135 -2.459
99 H CYS 16 HN CYS 16 1.939 -1.063 -4.048
100 HA CYS 16 HA CYS 16 0.140 -0.515 -1.899
101 1HB CYS 16 HB2 CYS 16 -0.246 0.421 -4.731
102 2HB CYS 16 HB1 CYS 16 -0.700 1.231 -3.236
103 H SER 17 HN SER 17 -1.523 -1.769 -1.383
104 HA SER 17 HA SER 17 -3.044 -3.038 -3.568
105 1HB SER 17 HB2 SER 17 -1.655 -4.451 -1.763
106 2HB SER 17 HB1 SER 17 -3.143 -4.229 -0.845
107 HG SER 17 HG SER 17 -4.279 -5.227 -2.489
108 H LEU 18 HN LEU 18 -5.155 -2.565 -3.672
109 HA LEU 18 HA LEU 18 -6.271 -0.854 -1.587
110 1HB LEU 18 HB2 LEU 18 -6.734 -1.248 -4.458
111 2HB LEU 18 HB1 LEU 18 -8.199 -1.032 -3.520
112 HG LEU 18 HG LEU 18 -5.869 0.889 -3.592
113 1HD1 LEU 18 HD11 LEU 18 -8.588 1.550 -4.591
114 2HD1 LEU 18 HD12 LEU 18 -7.536 0.568 -5.610
115 3HD1 LEU 18 HD13 LEU 18 -7.015 2.171 -5.091
116 1HD2 LEU 18 HD21 LEU 18 -8.544 1.046 -2.207
117 2HD2 LEU 18 HD22 LEU 18 -7.413 2.390 -2.371
118 3HD2 LEU 18 HD23 LEU 18 -6.957 0.962 -1.441
119 H SER 19 HN SER 19 -8.036 -1.342 -0.379
120 HA SER 19 HA SER 19 -8.767 -4.147 -0.217
121 1HB SER 19 HB2 SER 19 -8.445 -2.129 1.660
122 2HB SER 19 HB1 SER 19 -10.196 -2.324 1.566
123 HG SER 19 HG SER 19 -8.474 -4.545 1.824
124 HA PRO 20 HA PRO 20 -12.666 -4.052 -2.278
125 1HB PRO 20 HB2 PRO 20 -14.021 -5.043 0.170
126 2HB PRO 20 HB1 PRO 20 -13.959 -5.749 -1.449
127 1HG PRO 20 HG2 PRO 20 -12.556 -6.805 0.556
128 2HG PRO 20 HG1 PRO 20 -11.890 -6.730 -1.087
129 1HD PRO 20 HD2 PRO 20 -11.299 -4.998 1.282
130 2HD PRO 20 HD1 PRO 20 -10.192 -5.638 0.048
131 H TYR 21 HN TYR 21 -12.169 -2.244 0.545
132 HA TYR 21 HA TYR 21 -14.669 -0.747 0.099
133 1HB TYR 21 HB2 TYR 21 -13.348 -0.297 2.676
134 2HB TYR 21 HB1 TYR 21 -15.041 -0.625 2.319
135 HD1 TYR 21 HD1 TYR 21 -15.591 -3.110 1.677
136 HD2 TYR 21 HD2 TYR 21 -12.100 -1.902 3.789
137 HE1 TYR 21 HE1 TYR 21 -15.331 -5.396 2.541
138 HE2 TYR 21 HE2 TYR 21 -11.832 -4.186 4.662
139 HH TYR 21 HH TYR 21 -12.491 -6.378 4.320
140 H GLY 22 HN GLY 22 -11.944 -0.473 -1.129
141 1HA GLY 22 HA2 GLY 22 -10.637 1.264 -1.867
142 2HA GLY 22 HA1 GLY 22 -11.842 2.349 -1.191
143 H VAL 23 HN VAL 23 -9.701 -0.026 0.360
144 HA VAL 23 HA VAL 23 -8.643 2.170 2.016
145 HB VAL 23 HB VAL 23 -8.850 -0.759 2.737
146 1HG1 VAL 23 HG11 VAL 23 -7.406 1.492 3.909
147 2HG1 VAL 23 HG12 VAL 23 -7.208 -0.241 4.167
148 3HG1 VAL 23 HG13 VAL 23 -8.447 0.646 5.054
149 1HG2 VAL 23 HG21 VAL 23 -10.940 0.888 2.627
150 2HG2 VAL 23 HG22 VAL 23 -10.329 1.338 4.218
151 3HG2 VAL 23 HG23 VAL 23 -10.767 -0.337 3.884
152 H TRP 24 HN TRP 24 -6.626 2.701 1.562
153 HA TRP 24 HA TRP 24 -4.940 1.016 -0.034
154 1HB TRP 24 HB2 TRP 24 -4.601 3.727 1.227
155 2HB TRP 24 HB1 TRP 24 -3.259 2.911 0.430
156 HD1 TRP 24 HD1 TRP 24 -6.192 5.085 -0.275
157 HE1 TRP 24 HE1 TRP 24 -6.478 5.393 -2.814
158 HE3 TRP 24 HE3 TRP 24 -2.975 1.459 -1.898
159 HZ2 TRP 24 HZ2 TRP 24 -5.473 4.248 -5.191
160 HZ3 TRP 24 HZ3 TRP 24 -2.696 1.129 -4.320
161 HH2 TRP 24 HH2 TRP 24 -3.919 2.495 -5.931
162 H TYR 25 HN TYR 25 -3.753 -0.582 0.735
163 HA TYR 25 HA TYR 25 -2.363 -0.221 3.282
164 1HB TYR 25 HB2 TYR 25 -2.911 -2.479 4.023
165 2HB TYR 25 HB1 TYR 25 -4.380 -1.542 3.782
166 HD1 TYR 25 HD1 TYR 25 -5.926 -2.093 1.981
167 HD2 TYR 25 HD2 TYR 25 -2.370 -4.355 2.583
168 HE1 TYR 25 HE1 TYR 25 -6.815 -3.870 0.534
169 HE2 TYR 25 HE2 TYR 25 -3.251 -6.134 1.134
170 HH TYR 25 HH TYR 25 -5.830 -6.861 0.475
171 H CYS 26 HN CYS 26 -0.400 -1.307 3.456
172 HA CYS 26 HA CYS 26 0.826 -1.943 0.913
173 1HB CYS 26 HB2 CYS 26 2.354 -2.249 3.440
174 2HB CYS 26 HB1 CYS 26 2.827 -1.497 1.920
175 H SER 27 HN SER 27 1.026 -3.922 0.120
176 HA SER 27 HA SER 27 0.835 -6.200 1.977
177 1HB SER 27 HB2 SER 27 -1.091 -6.227 0.563
178 2HB SER 27 HB1 SER 27 -0.117 -5.922 -0.874
179 HG SER 27 HG SER 27 -0.789 -8.157 -0.527
180 HA PRO 28 HA PRO 28 5.005 -7.027 0.587
181 1HB PRO 28 HB2 PRO 28 5.369 -9.348 1.927
182 2HB PRO 28 HB1 PRO 28 5.399 -7.774 2.730
183 1HG PRO 28 HG2 PRO 28 3.174 -9.772 2.563
184 2HG PRO 28 HG1 PRO 28 3.735 -8.839 3.963
185 1HD PRO 28 HD2 PRO 28 1.556 -8.133 2.513
186 2HD PRO 28 HD1 PRO 28 2.602 -6.943 3.313
187 H PHE 29 HN PHE 29 6.052 -8.409 -0.856
188 HA PHE 29 HA PHE 29 4.274 -10.275 -2.274
189 1HB PHE 29 HB2 PHE 29 6.389 -9.897 -3.968
190 2HB PHE 29 HB1 PHE 29 4.876 -9.002 -4.034
191 HD1 PHE 29 HD1 PHE 29 8.275 -8.906 -2.531
192 HD2 PHE 29 HD2 PHE 29 4.880 -6.694 -3.831
193 HE1 PHE 29 HE1 PHE 29 9.509 -6.808 -2.172
194 HE2 PHE 29 HE2 PHE 29 6.108 -4.592 -3.474
195 HZ PHE 29 HZ PHE 29 8.426 -4.648 -2.644
196 H SER 30 HN SER 30 7.358 -9.932 -0.688
197 HA SER 30 HA SER 30 8.576 -12.314 -1.556
198 1HB SER 30 HB2 SER 30 9.981 -10.746 -0.479
199 2HB SER 30 HB1 SER 30 8.915 -10.628 0.921
200 HG SER 30 HG SER 30 10.275 -12.033 1.715
Start of MODEL 3
1 1H VAL 1 HT1 VAL 1 11.435 -3.510 -0.785
2 2H VAL 1 HT2 VAL 1 11.352 -4.583 -2.090
3 3H VAL 1 HT3 VAL 1 10.920 -5.103 -0.539
4 HA VAL 1 HA VAL 1 9.507 -2.902 -1.904
5 HB VAL 1 HB VAL 1 7.720 -4.732 -2.299
6 1HG1 VAL 1 HG11 VAL 1 8.373 -3.911 -4.290
7 2HG1 VAL 1 HG12 VAL 1 9.237 -5.443 -4.422
8 3HG1 VAL 1 HG13 VAL 1 10.086 -3.995 -3.881
9 1HG2 VAL 1 HG21 VAL 1 10.157 -6.498 -2.398
10 2HG2 VAL 1 HG22 VAL 1 8.468 -6.962 -2.598
11 3HG2 VAL 1 HG23 VAL 1 9.060 -6.450 -1.018
12 H ILE 2 HN ILE 2 6.979 -3.735 -1.167
13 HA ILE 2 HA ILE 2 7.125 -3.715 1.778
14 HB ILE 2 HB ILE 2 4.860 -2.449 0.275
15 1HG1 ILE 2 HG12 ILE 2 6.938 -1.405 -0.558
16 2HG1 ILE 2 HG11 ILE 2 5.972 -0.284 0.394
17 1HG2 ILE 2 HG21 ILE 2 5.397 -1.046 2.602
18 2HG2 ILE 2 HG22 ILE 2 5.687 -2.731 3.034
19 3HG2 ILE 2 HG23 ILE 2 4.128 -2.248 2.365
20 1HD1 ILE 2 HD11 ILE 2 8.462 -1.723 1.271
21 2HD1 ILE 2 HD12 ILE 2 7.458 -0.725 2.323
22 3HD1 ILE 2 HD13 ILE 2 8.281 0.000 0.941
23 H HIS 3 HN HIS 3 5.857 -5.118 2.868
24 HA HIS 3 HA HIS 3 3.742 -6.538 1.420
25 1HB HIS 3 HB2 HIS 3 6.055 -7.815 2.875
26 2HB HIS 3 HB1 HIS 3 4.550 -8.675 2.564
27 HD1 HIS 3 HD1 HIS 3 4.183 -9.584 0.230
28 HD2 HIS 3 HD2 HIS 3 7.569 -7.195 0.534
29 HE1 HIS 3 HE1 HIS 3 5.421 -9.894 -1.937
30 HE2 HIS 3 HE2 HIS 3 7.484 -8.463 -1.719
31 H CYS 4 HN CYS 4 2.258 -5.335 2.638
32 HA CYS 4 HA CYS 4 2.329 -5.374 5.513
33 1HB CYS 4 HB2 CYS 4 0.467 -4.276 3.441
34 2HB CYS 4 HB1 CYS 4 -0.084 -4.418 5.106
35 H ASP 5 HN ASP 5 0.137 -6.736 3.055
36 HA ASP 5 HA ASP 5 -0.735 -8.711 5.061
37 1HB ASP 5 HB2 ASP 5 -2.199 -7.295 2.868
38 2HB ASP 5 HB1 ASP 5 -2.733 -8.901 3.357
39 H ALA 6 HN ALA 6 1.436 -8.560 2.792
40 HA ALA 6 HA ALA 6 2.443 -10.003 1.348
41 1HB ALA 6 HB1 ALA 6 1.716 -11.454 3.565
42 2HB ALA 6 HB2 ALA 6 2.793 -12.002 2.280
43 3HB ALA 6 HB3 ALA 6 1.080 -12.420 2.234
44 H ALA 7 HN ALA 7 -0.282 -8.898 0.714
45 HA ALA 7 HA ALA 7 -1.076 -10.897 -1.302
46 1HB ALA 7 HB1 ALA 7 -2.750 -10.267 0.516
47 2HB ALA 7 HB2 ALA 7 -3.305 -10.183 -1.156
48 3HB ALA 7 HB3 ALA 7 -2.866 -8.706 -0.297
49 H THR 8 HN THR 8 -1.117 -7.372 -0.741
50 HA THR 8 HA THR 8 -0.711 -6.982 -3.627
51 HB THR 8 HB THR 8 -1.679 -5.007 -1.550
52 HG1 THR 8 HG1 THR 8 -3.676 -5.420 -2.334
53 1HG2 THR 8 HG21 THR 8 -1.887 -4.572 -4.497
54 2HG2 THR 8 HG22 THR 8 -0.359 -4.229 -3.686
55 3HG2 THR 8 HG23 THR 8 -1.830 -3.392 -3.188
56 H ILE 9 HN ILE 9 1.453 -7.039 -3.944
57 HA ILE 9 HA ILE 9 3.366 -5.968 -2.137
58 HB ILE 9 HB ILE 9 3.897 -6.377 -5.067
59 1HG1 ILE 9 HG12 ILE 9 3.997 -8.584 -3.010
60 2HG1 ILE 9 HG11 ILE 9 2.591 -8.316 -4.035
61 1HG2 ILE 9 HG21 ILE 9 5.476 -6.160 -2.589
62 2HG2 ILE 9 HG22 ILE 9 5.881 -5.693 -4.242
63 3HG2 ILE 9 HG23 ILE 9 6.016 -7.380 -3.743
64 1HD1 ILE 9 HD11 ILE 9 5.294 -9.324 -4.746
65 2HD1 ILE 9 HD12 ILE 9 4.359 -8.451 -5.960
66 3HD1 ILE 9 HD13 ILE 9 3.703 -9.913 -5.226
67 H CYS 10 HN CYS 10 4.093 -3.948 -1.906
68 HA CYS 10 HA CYS 10 3.388 -1.979 -3.982
69 1HB CYS 10 HB2 CYS 10 3.202 -1.864 -1.008
70 2HB CYS 10 HB1 CYS 10 3.592 -0.382 -1.873
71 HA PRO 11 HA PRO 11 7.647 -0.958 -4.494
72 1HB PRO 11 HB2 PRO 11 6.829 1.896 -4.459
73 2HB PRO 11 HB1 PRO 11 7.686 0.985 -5.708
74 1HG PRO 11 HG2 PRO 11 5.135 1.670 -6.040
75 2HG PRO 11 HG1 PRO 11 5.731 0.088 -6.580
76 1HD PRO 11 HD2 PRO 11 4.147 0.783 -4.137
77 2HD PRO 11 HD1 PRO 11 3.982 -0.609 -5.229
78 H ASP 12 HN ASP 12 9.421 -0.306 -3.326
79 HA ASP 12 HA ASP 12 9.196 -0.070 -0.556
80 1HB ASP 12 HB2 ASP 12 11.553 0.220 -0.512
81 2HB ASP 12 HB1 ASP 12 11.218 -0.829 -1.886
82 H GLY 13 HN GLY 13 9.105 2.360 -3.030
83 1HA GLY 13 HA2 GLY 13 9.596 4.530 -1.153
84 2HA GLY 13 HA1 GLY 13 9.288 4.691 -2.875
85 H THR 14 HN THR 14 7.151 2.704 -1.038
86 HA THR 14 HA THR 14 5.245 4.873 -0.628
87 HB THR 14 HB THR 14 3.446 3.320 -1.677
88 HG1 THR 14 HG1 THR 14 4.542 1.529 -2.261
89 1HG2 THR 14 HG21 THR 14 5.307 4.625 -3.643
90 2HG2 THR 14 HG22 THR 14 4.336 5.572 -2.516
91 3HG2 THR 14 HG23 THR 14 3.548 4.521 -3.692
92 H THR 15 HN THR 15 3.108 3.807 0.282
93 HA THR 15 HA THR 15 3.827 1.649 2.143
94 HB THR 15 HB THR 15 4.000 3.706 3.416
95 HG1 THR 15 HG1 THR 15 1.485 2.711 4.195
96 1HG2 THR 15 HG21 THR 15 1.524 4.364 1.969
97 2HG2 THR 15 HG22 THR 15 2.790 5.422 2.591
98 3HG2 THR 15 HG23 THR 15 1.536 4.816 3.673
99 H CYS 16 HN CYS 16 1.952 0.551 3.083
100 HA CYS 16 HA CYS 16 -0.104 0.176 1.083
101 1HB CYS 16 HB2 CYS 16 -0.460 -1.303 3.571
102 2HB CYS 16 HB1 CYS 16 -0.288 -1.898 1.924
103 H SER 17 HN SER 17 -1.673 1.653 1.062
104 HA SER 17 HA SER 17 -2.969 2.326 3.622
105 1HB SER 17 HB2 SER 17 -3.282 4.119 1.259
106 2HB SER 17 HB1 SER 17 -3.245 4.520 2.976
107 HG SER 17 HG SER 17 -1.264 4.658 1.228
108 H LEU 18 HN LEU 18 -5.165 2.142 3.762
109 HA LEU 18 HA LEU 18 -6.453 0.696 1.584
110 1HB LEU 18 HB2 LEU 18 -6.874 0.961 4.490
111 2HB LEU 18 HB1 LEU 18 -8.334 0.818 3.529
112 HG LEU 18 HG LEU 18 -6.046 -1.154 3.534
113 1HD1 LEU 18 HD11 LEU 18 -7.456 -2.604 4.775
114 2HD1 LEU 18 HD12 LEU 18 -8.829 -1.510 4.617
115 3HD1 LEU 18 HD13 LEU 18 -7.447 -1.053 5.613
116 1HD2 LEU 18 HD21 LEU 18 -6.874 -1.794 1.567
117 2HD2 LEU 18 HD22 LEU 18 -8.272 -0.731 1.726
118 3HD2 LEU 18 HD23 LEU 18 -8.301 -2.340 2.449
119 H SER 19 HN SER 19 -8.294 1.343 0.547
120 HA SER 19 HA SER 19 -8.869 4.211 0.678
121 1HB SER 19 HB2 SER 19 -8.516 2.437 -1.457
122 2HB SER 19 HB1 SER 19 -10.250 2.755 -1.425
123 HG SER 19 HG SER 19 -8.140 4.454 -1.996
124 HA PRO 20 HA PRO 20 -12.893 3.902 2.472
125 1HB PRO 20 HB2 PRO 20 -14.099 5.139 0.051
126 2HB PRO 20 HB1 PRO 20 -14.176 5.658 1.740
127 1HG PRO 20 HG2 PRO 20 -12.646 6.960 0.001
128 2HG PRO 20 HG1 PRO 20 -12.087 6.672 1.660
129 1HD PRO 20 HD2 PRO 20 -11.336 5.252 -0.868
130 2HD PRO 20 HD1 PRO 20 -10.309 5.742 0.496
131 H TYR 21 HN TYR 21 -12.179 2.330 -0.418
132 HA TYR 21 HA TYR 21 -14.719 0.838 -0.335
133 1HB TYR 21 HB2 TYR 21 -13.204 0.480 -2.789
134 2HB TYR 21 HB1 TYR 21 -14.882 0.963 -2.571
135 HD1 TYR 21 HD1 TYR 21 -15.252 3.456 -1.850
136 HD2 TYR 21 HD2 TYR 21 -11.695 1.999 -3.673
137 HE1 TYR 21 HE1 TYR 21 -14.684 5.741 -2.552
138 HE2 TYR 21 HE2 TYR 21 -11.117 4.280 -4.384
139 HH TYR 21 HH TYR 21 -11.860 6.778 -3.334
140 H GLY 22 HN GLY 22 -12.083 0.471 1.106
141 1HA GLY 22 HA2 GLY 22 -10.821 -1.304 1.825
142 2HA GLY 22 HA1 GLY 22 -12.022 -2.342 1.070
143 H VAL 23 HN VAL 23 -9.828 0.039 -0.384
144 HA VAL 23 HA VAL 23 -8.719 -2.141 -2.025
145 HB VAL 23 HB VAL 23 -8.877 0.798 -2.716
146 1HG1 VAL 23 HG11 VAL 23 -7.253 0.297 -4.160
147 2HG1 VAL 23 HG12 VAL 23 -8.456 -0.656 -5.029
148 3HG1 VAL 23 HG13 VAL 23 -7.402 -1.433 -3.847
149 1HG2 VAL 23 HG21 VAL 23 -10.894 -1.141 -2.802
150 2HG2 VAL 23 HG22 VAL 23 -10.337 -0.957 -4.466
151 3HG2 VAL 23 HG23 VAL 23 -10.902 0.450 -3.564
152 H TRP 24 HN TRP 24 -6.584 -2.508 -1.983
153 HA TRP 24 HA TRP 24 -4.966 -0.916 -0.160
154 1HB TRP 24 HB2 TRP 24 -4.607 -3.593 -1.483
155 2HB TRP 24 HB1 TRP 24 -3.259 -2.780 -0.695
156 HD1 TRP 24 HD1 TRP 24 -6.087 -5.056 0.021
157 HE1 TRP 24 HE1 TRP 24 -6.349 -5.392 2.559
158 HE3 TRP 24 HE3 TRP 24 -3.044 -1.288 1.659
159 HZ2 TRP 24 HZ2 TRP 24 -5.393 -4.216 4.941
160 HZ3 TRP 24 HZ3 TRP 24 -2.772 -0.960 4.082
161 HH2 TRP 24 HH2 TRP 24 -3.923 -2.395 5.688
162 H TYR 25 HN TYR 25 -4.154 0.878 -1.067
163 HA TYR 25 HA TYR 25 -2.775 0.588 -3.653
164 1HB TYR 25 HB2 TYR 25 -3.232 2.960 -4.075
165 2HB TYR 25 HB1 TYR 25 -4.727 2.063 -3.837
166 HD1 TYR 25 HD1 TYR 25 -6.105 2.443 -1.869
167 HD2 TYR 25 HD2 TYR 25 -2.487 4.608 -2.451
168 HE1 TYR 25 HE1 TYR 25 -6.791 4.047 -0.135
169 HE2 TYR 25 HE2 TYR 25 -3.163 6.215 -0.718
170 HH TYR 25 HH TYR 25 -4.996 6.980 0.470
171 H CYS 26 HN CYS 26 -0.814 1.762 -3.930
172 HA CYS 26 HA CYS 26 0.662 2.035 -1.433
173 1HB CYS 26 HB2 CYS 26 1.935 2.408 -4.111
174 2HB CYS 26 HB1 CYS 26 2.593 1.678 -2.650
175 H SER 27 HN SER 27 0.833 3.941 -0.487
176 HA SER 27 HA SER 27 0.614 6.371 -2.124
177 1HB SER 27 HB2 SER 27 -0.630 5.633 0.290
178 2HB SER 27 HB1 SER 27 0.545 6.877 0.718
179 HG SER 27 HG SER 27 -0.523 7.848 -1.375
180 HA PRO 28 HA PRO 28 4.947 7.024 -1.347
181 1HB PRO 28 HB2 PRO 28 5.165 9.523 -2.335
182 2HB PRO 28 HB1 PRO 28 4.955 8.111 -3.377
183 1HG PRO 28 HG2 PRO 28 2.919 10.101 -2.450
184 2HG PRO 28 HG1 PRO 28 3.145 9.404 -4.065
185 1HD PRO 28 HD2 PRO 28 1.257 8.521 -2.315
186 2HD PRO 28 HD1 PRO 28 2.024 7.472 -3.523
187 H PHE 29 HN PHE 29 6.148 7.820 0.286
188 HA PHE 29 HA PHE 29 5.138 10.086 1.839
189 1HB PHE 29 HB2 PHE 29 5.521 8.925 3.957
190 2HB PHE 29 HB1 PHE 29 4.328 8.072 2.986
191 HD1 PHE 29 HD1 PHE 29 4.879 5.929 1.944
192 HD2 PHE 29 HD2 PHE 29 7.642 7.946 4.474
193 HE1 PHE 29 HE1 PHE 29 6.177 3.853 2.176
194 HE2 PHE 29 HE2 PHE 29 8.948 5.875 4.707
195 HZ PHE 29 HZ PHE 29 8.216 3.824 3.556
196 H SER 30 HN SER 30 6.880 10.529 3.677
197 HA SER 30 HA SER 30 9.593 9.953 2.985
198 1HB SER 30 HB2 SER 30 9.001 11.661 1.260
199 2HB SER 30 HB1 SER 30 8.654 12.800 2.561
200 HG SER 30 HG SER 30 11.043 11.799 3.037
Start of MODEL 4
1 1H VAL 1 HT1 VAL 1 -11.551 -4.547 1.599
2 2H VAL 1 HT2 VAL 1 -11.117 -4.488 -0.035
3 3H VAL 1 HT3 VAL 1 -11.677 -3.094 0.740
4 HA VAL 1 HA VAL 1 -9.738 -2.675 1.778
5 HB VAL 1 HB VAL 1 -8.078 -4.432 2.347
6 1HG1 VAL 1 HG11 VAL 1 -9.117 -4.824 4.298
7 2HG1 VAL 1 HG12 VAL 1 -10.521 -5.553 3.520
8 3HG1 VAL 1 HG13 VAL 1 -10.387 -3.798 3.632
9 1HG2 VAL 1 HG21 VAL 1 -8.188 -6.528 1.583
10 2HG2 VAL 1 HG22 VAL 1 -9.401 -5.934 0.449
11 3HG2 VAL 1 HG23 VAL 1 -9.902 -6.666 1.973
12 H ILE 2 HN ILE 2 -7.188 -3.537 1.140
13 HA ILE 2 HA ILE 2 -7.128 -3.254 -1.794
14 HB ILE 2 HB ILE 2 -5.001 -2.163 0.030
15 1HG1 ILE 2 HG12 ILE 2 -7.138 -1.086 0.616
16 2HG1 ILE 2 HG11 ILE 2 -6.042 0.043 -0.171
17 1HG2 ILE 2 HG21 ILE 2 -4.951 -0.622 -2.157
18 2HG2 ILE 2 HG22 ILE 2 -5.584 -2.109 -2.864
19 3HG2 ILE 2 HG23 ILE 2 -4.039 -2.125 -2.014
20 1HD1 ILE 2 HD11 ILE 2 -8.462 0.147 -0.865
21 2HD1 ILE 2 HD12 ILE 2 -8.209 -1.408 -1.657
22 3HD1 ILE 2 HD13 ILE 2 -7.284 0.004 -2.170
23 H HIS 3 HN HIS 3 -6.241 -4.932 -2.781
24 HA HIS 3 HA HIS 3 -4.083 -6.406 -1.422
25 1HB HIS 3 HB2 HIS 3 -6.585 -7.415 -2.666
26 2HB HIS 3 HB1 HIS 3 -5.122 -8.347 -2.965
27 HD1 HIS 3 HD1 HIS 3 -3.912 -9.332 -0.817
28 HD2 HIS 3 HD2 HIS 3 -7.694 -7.737 -0.173
29 HE1 HIS 3 HE1 HIS 3 -4.635 -10.203 1.428
30 HE2 HIS 3 HE2 HIS 3 -6.886 -9.149 1.837
31 H CYS 4 HN CYS 4 -2.568 -5.151 -2.593
32 HA CYS 4 HA CYS 4 -2.594 -5.012 -5.440
33 1HB CYS 4 HB2 CYS 4 -0.803 -4.151 -3.257
34 2HB CYS 4 HB1 CYS 4 -0.009 -4.483 -4.793
35 H ASP 5 HN ASP 5 -0.407 -6.724 -3.193
36 HA ASP 5 HA ASP 5 0.097 -8.678 -5.342
37 1HB ASP 5 HB2 ASP 5 1.895 -7.292 -3.469
38 2HB ASP 5 HB1 ASP 5 2.182 -9.024 -3.606
39 H ALA 6 HN ALA 6 -2.086 -8.777 -3.446
40 HA ALA 6 HA ALA 6 -3.166 -10.249 -2.092
41 1HB ALA 6 HB1 ALA 6 -1.961 -11.752 -3.967
42 2HB ALA 6 HB2 ALA 6 -2.982 -12.417 -2.692
43 3HB ALA 6 HB3 ALA 6 -1.228 -12.432 -2.514
44 H ALA 7 HN ALA 7 -0.599 -8.778 -1.203
45 HA ALA 7 HA ALA 7 -0.426 -10.133 1.393
46 1HB ALA 7 HB1 ALA 7 1.724 -9.815 -0.519
47 2HB ALA 7 HB2 ALA 7 1.667 -10.763 0.966
48 3HB ALA 7 HB3 ALA 7 2.104 -9.056 1.027
49 H THR 8 HN THR 8 0.206 -8.738 3.143
50 HA THR 8 HA THR 8 -0.058 -6.846 4.380
51 HB THR 8 HB THR 8 1.089 -5.523 1.916
52 HG1 THR 8 HG1 THR 8 2.296 -6.752 4.179
53 1HG2 THR 8 HG21 THR 8 0.085 -4.385 4.280
54 2HG2 THR 8 HG22 THR 8 1.055 -3.594 3.036
55 3HG2 THR 8 HG23 THR 8 1.843 -4.340 4.427
56 H ILE 9 HN ILE 9 -2.338 -6.916 4.421
57 HA ILE 9 HA ILE 9 -3.944 -5.715 2.399
58 HB ILE 9 HB ILE 9 -4.793 -6.164 5.254
59 1HG1 ILE 9 HG12 ILE 9 -4.855 -8.170 2.987
60 2HG1 ILE 9 HG11 ILE 9 -3.706 -8.207 4.320
61 1HG2 ILE 9 HG21 ILE 9 -6.697 -6.749 3.154
62 2HG2 ILE 9 HG22 ILE 9 -6.105 -5.091 3.059
63 3HG2 ILE 9 HG23 ILE 9 -6.848 -5.678 4.546
64 1HD1 ILE 9 HD11 ILE 9 -5.460 -8.617 5.895
65 2HD1 ILE 9 HD12 ILE 9 -5.603 -9.775 4.572
66 3HD1 ILE 9 HD13 ILE 9 -6.689 -8.388 4.651
67 H CYS 10 HN CYS 10 -4.555 -3.671 2.127
68 HA CYS 10 HA CYS 10 -3.811 -1.726 4.208
69 1HB CYS 10 HB2 CYS 10 -3.781 -1.600 1.215
70 2HB CYS 10 HB1 CYS 10 -3.978 -0.115 2.142
71 HA PRO 11 HA PRO 11 -8.021 -0.543 4.750
72 1HB PRO 11 HB2 PRO 11 -7.230 2.298 4.700
73 2HB PRO 11 HB1 PRO 11 -7.951 1.356 6.008
74 1HG PRO 11 HG2 PRO 11 -5.388 2.133 6.097
75 2HG PRO 11 HG1 PRO 11 -5.907 0.565 6.744
76 1HD PRO 11 HD2 PRO 11 -4.556 1.191 4.143
77 2HD PRO 11 HD1 PRO 11 -4.258 -0.148 5.273
78 H ASP 12 HN ASP 12 -9.759 -0.096 3.505
79 HA ASP 12 HA ASP 12 -9.484 0.321 0.754
80 1HB ASP 12 HB2 ASP 12 -12.077 1.086 1.271
81 2HB ASP 12 HB1 ASP 12 -11.538 -0.567 1.001
82 H GLY 13 HN GLY 13 -8.560 2.123 -0.021
83 1HA GLY 13 HA2 GLY 13 -9.554 4.425 -0.647
84 2HA GLY 13 HA1 GLY 13 -9.399 4.718 1.078
85 H THR 14 HN THR 14 -6.885 2.851 0.703
86 HA THR 14 HA THR 14 -5.088 5.079 0.016
87 HB THR 14 HB THR 14 -3.357 3.828 1.300
88 HG1 THR 14 HG1 THR 14 -4.523 2.211 2.800
89 1HG2 THR 14 HG21 THR 14 -5.216 5.515 2.246
90 2HG2 THR 14 HG22 THR 14 -3.965 4.796 3.261
91 3HG2 THR 14 HG23 THR 14 -5.585 4.098 3.230
92 H THR 15 HN THR 15 -3.026 4.489 -1.018
93 HA THR 15 HA THR 15 -3.408 2.282 -2.933
94 HB THR 15 HB THR 15 -3.340 4.426 -4.059
95 HG1 THR 15 HG1 THR 15 -2.148 3.517 -5.546
96 1HG2 THR 15 HG21 THR 15 -1.943 6.119 -3.560
97 2HG2 THR 15 HG22 THR 15 -0.549 5.049 -3.407
98 3HG2 THR 15 HG23 THR 15 -1.668 5.237 -2.057
99 H CYS 16 HN CYS 16 -1.723 0.873 -3.365
100 HA CYS 16 HA CYS 16 0.157 0.497 -1.231
101 1HB CYS 16 HB2 CYS 16 0.602 -1.077 -3.665
102 2HB CYS 16 HB1 CYS 16 0.341 -1.613 -2.010
103 H SER 17 HN SER 17 1.981 1.605 -1.072
104 HA SER 17 HA SER 17 3.447 2.254 -3.544
105 1HB SER 17 HB2 SER 17 2.351 4.174 -2.122
106 2HB SER 17 HB1 SER 17 3.749 3.924 -1.076
107 HG SER 17 HG SER 17 4.134 5.507 -2.693
108 H LEU 18 HN LEU 18 5.612 1.858 -3.593
109 HA LEU 18 HA LEU 18 6.665 0.250 -1.394
110 1HB LEU 18 HB2 LEU 18 7.137 0.427 -4.286
111 2HB LEU 18 HB1 LEU 18 8.595 0.226 -3.333
112 HG LEU 18 HG LEU 18 6.206 -1.620 -3.354
113 1HD1 LEU 18 HD11 LEU 18 7.773 -3.223 -4.326
114 2HD1 LEU 18 HD12 LEU 18 9.032 -1.988 -4.334
115 3HD1 LEU 18 HD13 LEU 18 7.599 -1.793 -5.343
116 1HD2 LEU 18 HD21 LEU 18 8.528 -1.379 -1.532
117 2HD2 LEU 18 HD22 LEU 18 8.069 -3.005 -2.041
118 3HD2 LEU 18 HD23 LEU 18 6.896 -1.974 -1.221
119 H SER 19 HN SER 19 8.083 1.014 0.014
120 HA SER 19 HA SER 19 8.961 3.712 -0.067
121 1HB SER 19 HB2 SER 19 8.709 1.770 1.892
122 2HB SER 19 HB1 SER 19 10.456 1.977 1.752
123 HG SER 19 HG SER 19 8.516 3.975 2.283
124 HA PRO 20 HA PRO 20 12.805 3.726 -2.216
125 1HB PRO 20 HB2 PRO 20 14.122 4.674 0.285
126 2HB PRO 20 HB1 PRO 20 14.149 5.375 -1.339
127 1HG PRO 20 HG2 PRO 20 12.669 6.473 0.572
128 2HG PRO 20 HG1 PRO 20 12.059 6.359 -1.090
129 1HD PRO 20 HD2 PRO 20 11.362 4.712 1.304
130 2HD PRO 20 HD1 PRO 20 10.320 5.287 -0.014
131 H TYR 21 HN TYR 21 12.434 1.925 0.667
132 HA TYR 21 HA TYR 21 14.978 0.524 0.234
133 1HB TYR 21 HB2 TYR 21 13.418 -0.236 2.600
134 2HB TYR 21 HB1 TYR 21 15.118 0.196 2.463
135 HD1 TYR 21 HD1 TYR 21 12.177 1.105 3.993
136 HD2 TYR 21 HD2 TYR 21 15.399 2.853 1.832
137 HE1 TYR 21 HE1 TYR 21 11.695 3.277 5.041
138 HE2 TYR 21 HE2 TYR 21 14.925 5.028 2.871
139 HH TYR 21 HH TYR 21 12.805 5.371 5.533
140 H GLY 22 HN GLY 22 11.525 0.152 0.149
141 1HA GLY 22 HA2 GLY 22 10.730 -1.599 -1.395
142 2HA GLY 22 HA1 GLY 22 11.908 -2.668 -0.648
143 H VAL 23 HN VAL 23 9.426 -0.446 0.623
144 HA VAL 23 HA VAL 23 8.299 -2.724 2.116
145 HB VAL 23 HB VAL 23 8.404 0.122 3.120
146 1HG1 VAL 23 HG11 VAL 23 8.044 -1.534 5.269
147 2HG1 VAL 23 HG12 VAL 23 7.099 -2.335 4.014
148 3HG1 VAL 23 HG13 VAL 23 6.764 -0.655 4.433
149 1HG2 VAL 23 HG21 VAL 23 10.587 -0.345 3.444
150 2HG2 VAL 23 HG22 VAL 23 10.343 -2.087 3.315
151 3HG2 VAL 23 HG23 VAL 23 9.977 -1.254 4.826
152 H TRP 24 HN TRP 24 6.186 -3.062 1.852
153 HA TRP 24 HA TRP 24 4.690 -1.313 0.107
154 1HB TRP 24 HB2 TRP 24 4.064 -3.955 1.423
155 2HB TRP 24 HB1 TRP 24 2.880 -3.069 0.467
156 HD1 TRP 24 HD1 TRP 24 5.550 -5.594 0.126
157 HE1 TRP 24 HE1 TRP 24 6.081 -6.018 -2.356
158 HE3 TRP 24 HE3 TRP 24 3.101 -1.601 -1.920
159 HZ2 TRP 24 HZ2 TRP 24 5.535 -4.818 -4.851
160 HZ3 TRP 24 HZ3 TRP 24 3.156 -1.310 -4.363
161 HH2 TRP 24 HH2 TRP 24 4.348 -2.886 -5.796
162 H TYR 25 HN TYR 25 4.107 0.552 1.121
163 HA TYR 25 HA TYR 25 2.532 0.271 3.596
164 1HB TYR 25 HB2 TYR 25 3.194 2.560 4.176
165 2HB TYR 25 HB1 TYR 25 4.605 1.528 3.969
166 HD1 TYR 25 HD1 TYR 25 2.666 4.299 2.526
167 HD2 TYR 25 HD2 TYR 25 6.184 1.926 2.191
168 HE1 TYR 25 HE1 TYR 25 3.600 5.919 0.930
169 HE2 TYR 25 HE2 TYR 25 7.124 3.540 0.593
170 HH TYR 25 HH TYR 25 6.554 5.282 -0.819
171 H CYS 26 HN CYS 26 0.670 1.592 3.833
172 HA CYS 26 HA CYS 26 -0.645 2.121 1.296
173 1HB CYS 26 HB2 CYS 26 -2.066 2.640 3.847
174 2HB CYS 26 HB1 CYS 26 -2.622 1.823 2.390
175 H SER 27 HN SER 27 -0.930 4.064 0.441
176 HA SER 27 HA SER 27 -0.468 6.426 2.143
177 1HB SER 27 HB2 SER 27 1.136 5.745 0.103
178 2HB SER 27 HB1 SER 27 -0.085 6.643 -0.799
179 HG SER 27 HG SER 27 0.360 8.445 0.391
180 HA PRO 28 HA PRO 28 -4.774 7.127 1.027
181 1HB PRO 28 HB2 PRO 28 -4.439 9.597 2.579
182 2HB PRO 28 HB1 PRO 28 -5.550 8.251 2.843
183 1HG PRO 28 HG2 PRO 28 -3.451 8.698 4.465
184 2HG PRO 28 HG1 PRO 28 -4.026 7.061 4.097
185 1HD PRO 28 HD2 PRO 28 -1.679 8.545 2.972
186 2HD PRO 28 HD1 PRO 28 -1.810 6.838 3.448
187 H PHE 29 HN PHE 29 -5.505 8.080 -0.746
188 HA PHE 29 HA PHE 29 -4.097 10.466 -1.745
189 1HB PHE 29 HB2 PHE 29 -5.047 9.728 -4.002
190 2HB PHE 29 HB1 PHE 29 -3.744 8.756 -3.331
191 HD1 PHE 29 HD1 PHE 29 -7.424 8.906 -3.741
192 HD2 PHE 29 HD2 PHE 29 -4.027 6.467 -2.949
193 HE1 PHE 29 HE1 PHE 29 -8.824 6.893 -3.955
194 HE2 PHE 29 HE2 PHE 29 -5.421 4.450 -3.163
195 HZ PHE 29 HZ PHE 29 -7.822 4.662 -3.667
196 H SER 30 HN SER 30 -5.642 11.632 -3.436
197 HA SER 30 HA SER 30 -8.358 11.816 -2.361
198 1HB SER 30 HB2 SER 30 -7.088 14.422 -2.953
199 2HB SER 30 HB1 SER 30 -8.224 13.982 -1.678
200 HG SER 30 HG SER 30 -5.995 14.506 -1.024
Start of MODEL 5
1 1H VAL 1 HT1 VAL 1 -11.067 -4.280 -0.243
2 2H VAL 1 HT2 VAL 1 -11.586 -4.241 1.366
3 3H VAL 1 HT3 VAL 1 -10.797 -5.611 0.766
4 HA VAL 1 HA VAL 1 -9.674 -2.948 1.357
5 HB VAL 1 HB VAL 1 -7.977 -4.321 2.577
6 1HG1 VAL 1 HG11 VAL 1 -10.338 -3.405 3.437
7 2HG1 VAL 1 HG12 VAL 1 -9.200 -4.257 4.481
8 3HG1 VAL 1 HG13 VAL 1 -10.561 -5.123 3.768
9 1HG2 VAL 1 HG21 VAL 1 -8.043 -6.435 1.594
10 2HG2 VAL 1 HG22 VAL 1 -9.801 -6.532 1.696
11 3HG2 VAL 1 HG23 VAL 1 -8.824 -6.681 3.156
12 H ILE 2 HN ILE 2 -7.093 -3.312 1.183
13 HA ILE 2 HA ILE 2 -6.643 -3.871 -1.661
14 HB ILE 2 HB ILE 2 -4.597 -2.535 0.057
15 1HG1 ILE 2 HG12 ILE 2 -6.713 -1.389 0.594
16 2HG1 ILE 2 HG11 ILE 2 -5.627 -0.352 -0.322
17 1HG2 ILE 2 HG21 ILE 2 -5.094 -2.975 -2.750
18 2HG2 ILE 2 HG22 ILE 2 -3.623 -2.440 -1.936
19 3HG2 ILE 2 HG23 ILE 2 -4.852 -1.263 -2.402
20 1HD1 ILE 2 HD11 ILE 2 -8.104 -1.746 -1.286
21 2HD1 ILE 2 HD12 ILE 2 -6.932 -1.000 -2.374
22 3HD1 ILE 2 HD13 ILE 2 -7.790 -0.013 -1.191
23 H HIS 3 HN HIS 3 -4.983 -5.192 -2.369
24 HA HIS 3 HA HIS 3 -3.513 -6.704 -0.325
25 1HB HIS 3 HB2 HIS 3 -5.206 -7.797 -2.555
26 2HB HIS 3 HB1 HIS 3 -3.858 -8.727 -1.911
27 HD1 HIS 3 HD1 HIS 3 -4.381 -10.155 0.049
28 HD2 HIS 3 HD2 HIS 3 -7.155 -7.100 -0.436
29 HE1 HIS 3 HE1 HIS 3 -6.152 -10.575 1.784
30 HE2 HIS 3 HE2 HIS 3 -7.840 -8.734 1.449
31 H CYS 4 HN CYS 4 -3.752 -5.548 -3.619
32 HA CYS 4 HA CYS 4 -2.225 -5.206 -5.265
33 1HB CYS 4 HB2 CYS 4 0.061 -5.194 -3.371
34 2HB CYS 4 HB1 CYS 4 -0.373 -4.035 -4.623
35 H ASP 5 HN ASP 5 0.313 -6.672 -3.368
36 HA ASP 5 HA ASP 5 0.548 -8.779 -5.376
37 1HB ASP 5 HB2 ASP 5 2.425 -7.194 -4.082
38 2HB ASP 5 HB1 ASP 5 2.578 -8.754 -3.278
39 H ALA 6 HN ALA 6 -1.560 -8.843 -3.365
40 HA ALA 6 HA ALA 6 -2.605 -10.328 -2.000
41 1HB ALA 6 HB1 ALA 6 -2.399 -12.518 -2.541
42 2HB ALA 6 HB2 ALA 6 -0.636 -12.486 -2.468
43 3HB ALA 6 HB3 ALA 6 -1.472 -11.849 -3.884
44 H ALA 7 HN ALA 7 0.004 -8.841 -1.215
45 HA ALA 7 HA ALA 7 0.247 -10.156 1.400
46 1HB ALA 7 HB1 ALA 7 2.395 -10.631 1.111
47 2HB ALA 7 HB2 ALA 7 2.743 -8.942 0.740
48 3HB ALA 7 HB3 ALA 7 2.287 -10.053 -0.552
49 H THR 8 HN THR 8 0.827 -8.748 3.130
50 HA THR 8 HA THR 8 0.590 -6.849 4.355
51 HB THR 8 HB THR 8 1.663 -5.533 1.854
52 HG1 THR 8 HG1 THR 8 3.636 -5.665 3.318
53 1HG2 THR 8 HG21 THR 8 0.681 -4.378 4.232
54 2HG2 THR 8 HG22 THR 8 1.576 -3.584 2.935
55 3HG2 THR 8 HG23 THR 8 2.441 -4.272 4.310
56 H ILE 9 HN ILE 9 -1.674 -6.959 4.468
57 HA ILE 9 HA ILE 9 -3.393 -5.856 2.496
58 HB ILE 9 HB ILE 9 -4.092 -6.190 5.407
59 1HG1 ILE 9 HG12 ILE 9 -4.480 -8.357 3.366
60 2HG1 ILE 9 HG11 ILE 9 -2.946 -8.216 4.218
61 1HG2 ILE 9 HG21 ILE 9 -5.534 -5.465 3.049
62 2HG2 ILE 9 HG22 ILE 9 -6.108 -5.574 4.713
63 3HG2 ILE 9 HG23 ILE 9 -6.159 -6.994 3.668
64 1HD1 ILE 9 HD11 ILE 9 -5.633 -8.950 5.261
65 2HD1 ILE 9 HD12 ILE 9 -4.457 -8.202 6.341
66 3HD1 ILE 9 HD13 ILE 9 -4.069 -9.718 5.529
67 H CYS 10 HN CYS 10 -4.523 -3.912 2.478
68 HA CYS 10 HA CYS 10 -3.728 -1.865 4.418
69 1HB CYS 10 HB2 CYS 10 -3.293 -1.810 1.459
70 2HB CYS 10 HB1 CYS 10 -3.673 -0.304 2.289
71 HA PRO 11 HA PRO 11 -7.970 -0.662 4.407
72 1HB PRO 11 HB2 PRO 11 -7.180 2.178 4.207
73 2HB PRO 11 HB1 PRO 11 -8.063 1.345 5.489
74 1HG PRO 11 HG2 PRO 11 -5.533 2.139 5.838
75 2HG PRO 11 HG1 PRO 11 -6.129 0.621 6.534
76 1HD PRO 11 HD2 PRO 11 -4.458 1.060 4.088
77 2HD PRO 11 HD1 PRO 11 -4.314 -0.192 5.339
78 H ASP 12 HN ASP 12 -9.614 -0.165 3.006
79 HA ASP 12 HA ASP 12 -9.079 -0.088 0.257
80 1HB ASP 12 HB2 ASP 12 -11.408 -0.004 -0.066
81 2HB ASP 12 HB1 ASP 12 -11.213 -0.852 1.465
82 H GLY 13 HN GLY 13 -9.244 2.434 2.586
83 1HA GLY 13 HA2 GLY 13 -9.759 4.527 0.644
84 2HA GLY 13 HA1 GLY 13 -9.439 4.747 2.358
85 H THR 14 HN THR 14 -7.202 2.713 0.800
86 HA THR 14 HA THR 14 -5.370 4.924 0.211
87 HB THR 14 HB THR 14 -3.523 3.771 1.402
88 HG1 THR 14 HG1 THR 14 -4.958 2.301 3.107
89 1HG2 THR 14 HG21 THR 14 -4.455 4.226 3.762
90 2HG2 THR 14 HG22 THR 14 -5.925 4.727 2.928
91 3HG2 THR 14 HG23 THR 14 -4.405 5.565 2.615
92 H THR 15 HN THR 15 -3.279 4.020 -0.779
93 HA THR 15 HA THR 15 -3.897 1.686 -2.469
94 HB THR 15 HB THR 15 -4.137 3.736 -3.800
95 HG1 THR 15 HG1 THR 15 -3.406 2.235 -5.147
96 1HG2 THR 15 HG21 THR 15 -1.298 4.402 -3.869
97 2HG2 THR 15 HG22 THR 15 -2.039 4.701 -2.297
98 3HG2 THR 15 HG23 THR 15 -2.705 5.459 -3.743
99 H CYS 16 HN CYS 16 -1.955 0.665 -3.424
100 HA CYS 16 HA CYS 16 0.031 0.249 -1.406
101 1HB CYS 16 HB2 CYS 16 0.509 -0.800 -4.133
102 2HB CYS 16 HB1 CYS 16 0.610 -1.616 -2.577
103 H SER 17 HN SER 17 1.812 1.397 -1.117
104 HA SER 17 HA SER 17 3.055 2.693 -3.449
105 1HB SER 17 HB2 SER 17 1.999 3.933 -1.049
106 2HB SER 17 HB1 SER 17 3.720 4.270 -1.234
107 HG SER 17 HG SER 17 2.935 5.777 -2.509
108 H LEU 18 HN LEU 18 5.188 2.342 -3.675
109 HA LEU 18 HA LEU 18 6.496 0.682 -1.670
110 1HB LEU 18 HB2 LEU 18 6.794 1.147 -4.546
111 2HB LEU 18 HB1 LEU 18 8.320 1.031 -3.692
112 HG LEU 18 HG LEU 18 6.142 -1.057 -3.776
113 1HD1 LEU 18 HD11 LEU 18 8.774 -1.892 -4.576
114 2HD1 LEU 18 HD12 LEU 18 8.246 -0.505 -5.529
115 3HD1 LEU 18 HD13 LEU 18 7.254 -1.962 -5.468
116 1HD2 LEU 18 HD21 LEU 18 8.078 -2.381 -2.606
117 2HD2 LEU 18 HD22 LEU 18 6.965 -1.395 -1.657
118 3HD2 LEU 18 HD23 LEU 18 8.567 -0.776 -2.061
119 H SER 19 HN SER 19 7.892 1.437 -0.244
120 HA SER 19 HA SER 19 8.649 4.213 -0.253
121 1HB SER 19 HB2 SER 19 8.360 2.194 1.694
122 2HB SER 19 HB1 SER 19 10.067 2.638 1.709
123 HG SER 19 HG SER 19 8.661 3.923 3.091
124 HA PRO 20 HA PRO 20 12.661 4.145 -2.091
125 1HB PRO 20 HB2 PRO 20 13.841 5.127 0.459
126 2HB PRO 20 HB1 PRO 20 13.945 5.811 -1.168
127 1HG PRO 20 HG2 PRO 20 12.385 6.930 0.672
128 2HG PRO 20 HG1 PRO 20 11.861 6.821 -1.019
129 1HD PRO 20 HD2 PRO 20 11.029 5.175 1.335
130 2HD PRO 20 HD1 PRO 20 10.056 5.772 -0.026
131 H TYR 21 HN TYR 21 12.040 2.408 0.780
132 HA TYR 21 HA TYR 21 14.538 0.877 0.470
133 1HB TYR 21 HB2 TYR 21 13.140 0.314 2.937
134 2HB TYR 21 HB1 TYR 21 14.784 0.893 2.697
135 HD1 TYR 21 HD1 TYR 21 15.019 3.449 2.178
136 HD2 TYR 21 HD2 TYR 21 11.594 1.686 3.984
137 HE1 TYR 21 HE1 TYR 21 14.377 5.641 3.086
138 HE2 TYR 21 HE2 TYR 21 10.944 3.873 4.900
139 HH TYR 21 HH TYR 21 13.048 6.632 4.740
140 H GLY 22 HN GLY 22 11.977 0.574 -1.007
141 1HA GLY 22 HA2 GLY 22 10.654 -1.131 -1.787
142 2HA GLY 22 HA1 GLY 22 11.863 -2.217 -1.120
143 H VAL 23 HN VAL 23 9.349 -0.031 0.165
144 HA VAL 23 HA VAL 23 8.395 -2.278 1.816
145 HB VAL 23 HB VAL 23 8.466 0.615 2.684
146 1HG1 VAL 23 HG11 VAL 23 8.078 -0.677 4.947
147 2HG1 VAL 23 HG12 VAL 23 7.382 -1.889 3.871
148 3HG1 VAL 23 HG13 VAL 23 6.728 -0.251 3.896
149 1HG2 VAL 23 HG21 VAL 23 10.405 -1.590 2.970
150 2HG2 VAL 23 HG22 VAL 23 10.079 -0.648 4.425
151 3HG2 VAL 23 HG23 VAL 23 10.660 0.155 2.966
152 H TRP 24 HN TRP 24 6.375 -2.804 1.369
153 HA TRP 24 HA TRP 24 4.692 -1.062 -0.198
154 1HB TRP 24 HB2 TRP 24 4.316 -3.840 0.923
155 2HB TRP 24 HB1 TRP 24 3.052 -2.993 0.039
156 HD1 TRP 24 HD1 TRP 24 5.949 -5.232 -0.490
157 HE1 TRP 24 HE1 TRP 24 6.476 -5.445 -3.000
158 HE3 TRP 24 HE3 TRP 24 3.081 -1.383 -2.249
159 HZ2 TRP 24 HZ2 TRP 24 5.767 -4.152 -5.408
160 HZ3 TRP 24 HZ3 TRP 24 3.061 -0.938 -4.669
161 HH2 TRP 24 HH2 TRP 24 4.376 -2.294 -6.214
162 H TYR 25 HN TYR 25 3.958 0.656 0.967
163 HA TYR 25 HA TYR 25 2.456 0.040 3.424
164 1HB TYR 25 HB2 TYR 25 2.949 2.305 4.209
165 2HB TYR 25 HB1 TYR 25 4.431 1.412 3.897
166 HD1 TYR 25 HD1 TYR 25 2.355 4.240 2.898
167 HD2 TYR 25 HD2 TYR 25 5.859 2.002 1.990
168 HE1 TYR 25 HE1 TYR 25 3.145 6.071 1.458
169 HE2 TYR 25 HE2 TYR 25 6.657 3.826 0.548
170 HH TYR 25 HH TYR 25 4.671 6.394 -0.440
171 H CYS 26 HN CYS 26 0.636 1.505 3.874
172 HA CYS 26 HA CYS 26 -0.925 1.894 1.460
173 1HB CYS 26 HB2 CYS 26 -2.070 2.636 4.088
174 2HB CYS 26 HB1 CYS 26 -2.767 1.685 2.781
175 H SER 27 HN SER 27 -1.327 3.786 0.516
176 HA SER 27 HA SER 27 -0.806 6.258 2.021
177 1HB SER 27 HB2 SER 27 0.828 5.342 0.000
178 2HB SER 27 HB1 SER 27 -0.250 6.449 -0.851
179 HG SER 27 HG SER 27 1.686 7.410 0.091
180 HA PRO 28 HA PRO 28 -5.043 6.945 0.682
181 1HB PRO 28 HB2 PRO 28 -4.529 9.646 1.777
182 2HB PRO 28 HB1 PRO 28 -5.796 8.487 2.191
183 1HG PRO 28 HG2 PRO 28 -3.762 8.959 3.856
184 2HG PRO 28 HG1 PRO 28 -4.440 7.330 3.669
185 1HD PRO 28 HD2 PRO 28 -1.930 8.484 2.514
186 2HD PRO 28 HD1 PRO 28 -2.217 6.870 3.198
187 H PHE 29 HN PHE 29 -5.981 7.933 -1.060
188 HA PHE 29 HA PHE 29 -4.248 9.712 -2.644
189 1HB PHE 29 HB2 PHE 29 -5.896 8.871 -4.532
190 2HB PHE 29 HB1 PHE 29 -4.501 7.912 -4.053
191 HD1 PHE 29 HD1 PHE 29 -8.079 8.363 -3.077
192 HD2 PHE 29 HD2 PHE 29 -4.834 5.679 -3.692
193 HE1 PHE 29 HE1 PHE 29 -9.561 6.463 -2.577
194 HE2 PHE 29 HE2 PHE 29 -6.310 3.774 -3.194
195 HZ PHE 29 HZ PHE 29 -8.676 4.165 -2.636
196 H SER 30 HN SER 30 -5.316 11.355 -3.932
197 HA SER 30 HA SER 30 -6.641 13.195 -4.106
198 1HB SER 30 HB2 SER 30 -8.498 10.916 -3.805
199 2HB SER 30 HB1 SER 30 -9.197 12.505 -3.498
200 HG SER 30 HG SER 30 -9.403 12.300 -5.637
Start of MODEL 6
1 1H VAL 1 HT1 VAL 1 -11.318 4.935 -0.185
2 2H VAL 1 HT2 VAL 1 -11.888 3.375 0.131
3 3H VAL 1 HT3 VAL 1 -12.020 4.022 -1.425
4 HA VAL 1 HA VAL 1 -10.201 2.361 -1.113
5 HB VAL 1 HB VAL 1 -8.455 3.878 -2.228
6 1HG1 VAL 1 HG11 VAL 1 -9.396 3.059 -4.061
7 2HG1 VAL 1 HG12 VAL 1 -10.666 4.280 -3.979
8 3HG1 VAL 1 HG13 VAL 1 -10.871 2.737 -3.149
9 1HG2 VAL 1 HG21 VAL 1 -9.304 6.036 -3.034
10 2HG2 VAL 1 HG22 VAL 1 -9.196 5.991 -1.275
11 3HG2 VAL 1 HG23 VAL 1 -10.762 5.817 -2.067
12 H ILE 2 HN ILE 2 -7.603 2.941 -0.920
13 HA ILE 2 HA ILE 2 -7.270 3.524 1.940
14 HB ILE 2 HB ILE 2 -5.096 2.298 0.304
15 1HG1 ILE 2 HG12 ILE 2 -7.105 1.024 -0.321
16 2HG1 ILE 2 HG11 ILE 2 -6.013 0.055 0.661
17 1HG2 ILE 2 HG21 ILE 2 -6.017 2.074 3.159
18 2HG2 ILE 2 HG22 ILE 2 -4.539 2.819 2.552
19 3HG2 ILE 2 HG23 ILE 2 -4.744 1.070 2.465
20 1HD1 ILE 2 HD11 ILE 2 -8.387 -0.242 1.242
21 2HD1 ILE 2 HD12 ILE 2 -8.461 1.459 1.703
22 3HD1 ILE 2 HD13 ILE 2 -7.416 0.349 2.590
23 H HIS 3 HN HIS 3 -5.320 4.672 2.613
24 HA HIS 3 HA HIS 3 -4.174 6.432 0.567
25 1HB HIS 3 HB2 HIS 3 -5.785 7.231 2.930
26 2HB HIS 3 HB1 HIS 3 -4.355 8.198 2.582
27 HD1 HIS 3 HD1 HIS 3 -4.290 9.271 0.107
28 HD2 HIS 3 HD2 HIS 3 -7.963 7.815 1.396
29 HE1 HIS 3 HE1 HIS 3 -5.998 10.303 -1.425
30 HE2 HIS 3 HE2 HIS 3 -8.215 9.414 -0.621
31 H CYS 4 HN CYS 4 -4.029 5.973 4.102
32 HA CYS 4 HA CYS 4 -2.304 5.647 5.536
33 1HB CYS 4 HB2 CYS 4 -0.752 4.552 3.190
34 2HB CYS 4 HB1 CYS 4 -0.545 4.165 4.895
35 H ASP 5 HN ASP 5 -0.126 6.085 2.796
36 HA ASP 5 HA ASP 5 1.278 8.168 4.167
37 1HB ASP 5 HB2 ASP 5 2.080 6.359 2.376
38 2HB ASP 5 HB1 ASP 5 1.742 7.683 1.266
39 H ALA 6 HN ALA 6 -1.539 8.182 2.448
40 HA ALA 6 HA ALA 6 -2.834 9.784 1.488
41 1HB ALA 6 HB1 ALA 6 -1.619 10.929 3.698
42 2HB ALA 6 HB2 ALA 6 -3.016 11.556 2.822
43 3HB ALA 6 HB3 ALA 6 -1.394 12.119 2.415
44 H ALA 7 HN ALA 7 -0.267 8.910 0.163
45 HA ALA 7 HA ALA 7 -0.190 11.074 -1.823
46 1HB ALA 7 HB1 ALA 7 2.244 10.703 -2.103
47 2HB ALA 7 HB2 ALA 7 2.210 9.634 -0.700
48 3HB ALA 7 HB3 ALA 7 1.815 11.343 -0.517
49 H THR 8 HN THR 8 -0.218 7.727 -1.055
50 HA THR 8 HA THR 8 -0.314 7.082 -3.925
51 HB THR 8 HB THR 8 0.965 5.340 -1.807
52 HG1 THR 8 HG1 THR 8 1.983 7.235 -3.597
53 1HG2 THR 8 HG21 THR 8 -0.212 4.427 -4.016
54 2HG2 THR 8 HG22 THR 8 1.283 3.729 -3.393
55 3HG2 THR 8 HG23 THR 8 1.337 4.890 -4.719
56 H ILE 9 HN ILE 9 -2.533 6.964 -4.001
57 HA ILE 9 HA ILE 9 -4.157 5.691 -2.082
58 HB ILE 9 HB ILE 9 -4.863 5.956 -4.997
59 1HG1 ILE 9 HG12 ILE 9 -5.319 8.096 -2.923
60 2HG1 ILE 9 HG11 ILE 9 -3.876 8.077 -3.933
61 1HG2 ILE 9 HG21 ILE 9 -6.350 4.690 -3.411
62 2HG2 ILE 9 HG22 ILE 9 -7.112 6.044 -4.246
63 3HG2 ILE 9 HG23 ILE 9 -6.613 6.214 -2.563
64 1HD1 ILE 9 HD11 ILE 9 -6.264 7.790 -5.521
65 2HD1 ILE 9 HD12 ILE 9 -4.969 8.983 -5.630
66 3HD1 ILE 9 HD13 ILE 9 -6.318 9.243 -4.523
67 H CYS 10 HN CYS 10 -4.726 3.622 -1.782
68 HA CYS 10 HA CYS 10 -3.806 1.646 -3.765
69 1HB CYS 10 HB2 CYS 10 -3.622 1.680 -0.783
70 2HB CYS 10 HB1 CYS 10 -3.805 0.131 -1.599
71 HA PRO 11 HA PRO 11 -7.893 0.059 -4.216
72 1HB PRO 11 HB2 PRO 11 -6.755 -2.652 -3.765
73 2HB PRO 11 HB1 PRO 11 -7.705 -2.041 -5.125
74 1HG PRO 11 HG2 PRO 11 -5.090 -2.442 -5.384
75 2HG PRO 11 HG1 PRO 11 -5.867 -1.029 -6.123
76 1HD PRO 11 HD2 PRO 11 -4.216 -1.197 -3.634
77 2HD PRO 11 HD1 PRO 11 -4.240 0.059 -4.890
78 H ASP 12 HN ASP 12 -9.617 -0.443 -2.956
79 HA ASP 12 HA ASP 12 -9.421 -0.366 -0.183
80 1HB ASP 12 HB2 ASP 12 -11.440 0.085 -1.708
81 2HB ASP 12 HB1 ASP 12 -11.742 -1.645 -1.599
82 H GLY 13 HN GLY 13 -9.156 -3.044 -2.358
83 1HA GLY 13 HA2 GLY 13 -9.550 -5.001 -0.226
84 2HA GLY 13 HA1 GLY 13 -9.305 -5.355 -1.928
85 H THR 14 HN THR 14 -7.160 -3.104 -0.427
86 HA THR 14 HA THR 14 -5.148 -5.178 0.055
87 HB THR 14 HB THR 14 -3.425 -3.921 -1.167
88 HG1 THR 14 HG1 THR 14 -4.997 -1.934 -1.054
89 1HG2 THR 14 HG21 THR 14 -4.237 -5.639 -2.493
90 2HG2 THR 14 HG22 THR 14 -4.490 -4.231 -3.526
91 3HG2 THR 14 HG23 THR 14 -5.841 -4.918 -2.624
92 H THR 15 HN THR 15 -3.074 -4.078 0.947
93 HA THR 15 HA THR 15 -3.807 -1.833 2.707
94 HB THR 15 HB THR 15 -3.911 -3.863 4.055
95 HG1 THR 15 HG1 THR 15 -2.213 -3.238 5.582
96 1HG2 THR 15 HG21 THR 15 -2.575 -5.582 3.576
97 2HG2 THR 15 HG22 THR 15 -1.229 -4.668 4.254
98 3HG2 THR 15 HG23 THR 15 -1.578 -4.573 2.528
99 H CYS 16 HN CYS 16 -2.004 -0.556 3.460
100 HA CYS 16 HA CYS 16 -0.022 -0.191 1.434
101 1HB CYS 16 HB2 CYS 16 0.865 1.397 3.429
102 2HB CYS 16 HB1 CYS 16 -0.415 1.858 2.314
103 H SER 17 HN SER 17 1.829 -1.221 1.247
104 HA SER 17 HA SER 17 3.196 -2.160 3.676
105 1HB SER 17 HB2 SER 17 1.942 -3.985 2.312
106 2HB SER 17 HB1 SER 17 3.250 -3.784 1.145
107 HG SER 17 HG SER 17 4.650 -4.621 2.537
108 H LEU 18 HN LEU 18 5.358 -1.795 3.722
109 HA LEU 18 HA LEU 18 6.487 -0.398 1.407
110 1HB LEU 18 HB2 LEU 18 6.889 -0.261 4.318
111 2HB LEU 18 HB1 LEU 18 8.357 -0.144 3.369
112 HG LEU 18 HG LEU 18 5.946 1.656 3.114
113 1HD1 LEU 18 HD11 LEU 18 7.192 3.319 4.193
114 2HD1 LEU 18 HD12 LEU 18 8.697 2.413 4.043
115 3HD1 LEU 18 HD13 LEU 18 7.447 1.868 5.162
116 1HD2 LEU 18 HD21 LEU 18 6.746 1.871 1.014
117 2HD2 LEU 18 HD22 LEU 18 8.340 1.246 1.440
118 3HD2 LEU 18 HD23 LEU 18 7.924 2.922 1.799
119 H SER 19 HN SER 19 8.112 -1.190 0.238
120 HA SER 19 HA SER 19 8.923 -3.918 0.631
121 1HB SER 19 HB2 SER 19 9.807 -3.801 -1.517
122 2HB SER 19 HB1 SER 19 8.543 -2.572 -1.594
123 HG SER 19 HG SER 19 11.330 -2.210 -1.284
124 HA PRO 20 HA PRO 20 12.755 -3.521 2.785
125 1HB PRO 20 HB2 PRO 20 14.179 -4.868 0.554
126 2HB PRO 20 HB1 PRO 20 14.069 -5.323 2.258
127 1HG PRO 20 HG2 PRO 20 12.717 -6.675 0.409
128 2HG PRO 20 HG1 PRO 20 11.995 -6.331 1.992
129 1HD PRO 20 HD2 PRO 20 11.520 -4.985 -0.640
130 2HD PRO 20 HD1 PRO 20 10.353 -5.431 0.622
131 H TYR 21 HN TYR 21 12.339 -2.111 -0.259
132 HA TYR 21 HA TYR 21 14.858 -0.606 0.018
133 1HB TYR 21 HB2 TYR 21 13.613 -0.388 -2.603
134 2HB TYR 21 HB1 TYR 21 15.263 -0.829 -2.179
135 HD1 TYR 21 HD1 TYR 21 12.257 -1.969 -3.604
136 HD2 TYR 21 HD2 TYR 21 15.553 -3.285 -1.256
137 HE1 TYR 21 HE1 TYR 21 11.789 -4.292 -4.259
138 HE2 TYR 21 HE2 TYR 21 15.093 -5.611 -1.903
139 HH TYR 21 HH TYR 21 13.782 -6.979 -3.057
140 H GLY 22 HN GLY 22 12.064 -0.170 1.126
141 1HA GLY 22 HA2 GLY 22 10.780 1.661 1.638
142 2HA GLY 22 HA1 GLY 22 12.042 2.646 0.915
143 H VAL 23 HN VAL 23 9.865 0.201 -0.487
144 HA VAL 23 HA VAL 23 8.910 2.284 -2.342
145 HB VAL 23 HB VAL 23 9.150 -0.677 -2.901
146 1HG1 VAL 23 HG11 VAL 23 8.439 1.591 -4.759
147 2HG1 VAL 23 HG12 VAL 23 7.288 0.443 -4.073
148 3HG1 VAL 23 HG13 VAL 23 8.544 -0.120 -5.175
149 1HG2 VAL 23 HG21 VAL 23 10.765 0.632 -4.688
150 2HG2 VAL 23 HG22 VAL 23 11.311 -0.200 -3.231
151 3HG2 VAL 23 HG23 VAL 23 11.024 1.540 -3.199
152 H TRP 24 HN TRP 24 6.870 2.825 -1.987
153 HA TRP 24 HA TRP 24 5.135 1.291 -0.335
154 1HB TRP 24 HB2 TRP 24 4.755 3.770 -2.002
155 2HB TRP 24 HB1 TRP 24 3.414 3.021 -1.141
156 HD1 TRP 24 HD1 TRP 24 6.214 5.417 -0.662
157 HE1 TRP 24 HE1 TRP 24 6.381 6.107 1.812
158 HE3 TRP 24 HE3 TRP 24 3.097 1.911 1.372
159 HZ2 TRP 24 HZ2 TRP 24 5.331 5.273 4.297
160 HZ3 TRP 24 HZ3 TRP 24 2.734 1.926 3.806
161 HH2 TRP 24 HH2 TRP 24 3.828 3.573 5.236
162 H TYR 25 HN TYR 25 3.835 -0.316 -0.858
163 HA TYR 25 HA TYR 25 2.619 -0.446 -3.493
164 1HB TYR 25 HB2 TYR 25 3.341 -2.697 -3.970
165 2HB TYR 25 HB1 TYR 25 4.766 -1.707 -3.685
166 HD1 TYR 25 HD1 TYR 25 6.135 -2.040 -1.692
167 HD2 TYR 25 HD2 TYR 25 2.716 -4.463 -2.430
168 HE1 TYR 25 HE1 TYR 25 6.915 -3.647 -0.003
169 HE2 TYR 25 HE2 TYR 25 3.486 -6.074 -0.741
170 HH TYR 25 HH TYR 25 6.317 -5.432 1.256
171 H CYS 26 HN CYS 26 0.712 -1.655 -3.550
172 HA CYS 26 HA CYS 26 -0.466 -2.100 -0.927
173 1HB CYS 26 HB2 CYS 26 -2.078 -2.579 -3.364
174 2HB CYS 26 HB1 CYS 26 -2.490 -1.710 -1.889
175 H SER 27 HN SER 27 -0.671 -4.025 -0.031
176 HA SER 27 HA SER 27 -0.336 -6.413 -1.714
177 1HB SER 27 HB2 SER 27 1.384 -6.416 -0.094
178 2HB SER 27 HB1 SER 27 0.295 -5.877 1.183
179 HG SER 27 HG SER 27 -0.704 -7.904 1.118
180 HA PRO 28 HA PRO 28 -4.629 -7.185 -0.769
181 1HB PRO 28 HB2 PRO 28 -4.884 -9.540 -2.050
182 2HB PRO 28 HB1 PRO 28 -4.753 -8.007 -2.920
183 1HG PRO 28 HG2 PRO 28 -2.655 -10.074 -2.395
184 2HG PRO 28 HG1 PRO 28 -2.977 -9.156 -3.878
185 1HD PRO 28 HD2 PRO 28 -0.997 -8.521 -2.101
186 2HD PRO 28 HD1 PRO 28 -1.793 -7.333 -3.151
187 H PHE 29 HN PHE 29 -5.420 -7.918 1.093
188 HA PHE 29 HA PHE 29 -4.082 -10.164 2.417
189 1HB PHE 29 HB2 PHE 29 -5.576 -9.333 4.386
190 2HB PHE 29 HB1 PHE 29 -4.137 -8.423 3.946
191 HD1 PHE 29 HD1 PHE 29 -4.429 -6.169 4.146
192 HD2 PHE 29 HD2 PHE 29 -7.672 -8.530 2.725
193 HE1 PHE 29 HE1 PHE 29 -5.791 -4.138 3.891
194 HE2 PHE 29 HE2 PHE 29 -9.040 -6.502 2.465
195 HZ PHE 29 HZ PHE 29 -8.099 -4.302 3.049
196 H SER 30 HN SER 30 -6.898 -9.369 0.710
197 HA SER 30 HA SER 30 -8.508 -11.473 1.923
198 1HB SER 30 HB2 SER 30 -10.344 -10.568 0.804
199 2HB SER 30 HB1 SER 30 -9.356 -9.141 1.114
200 HG SER 30 HG SER 30 -10.167 -9.350 -1.078
Start of MODEL 7
1 1H VAL 1 HT1 VAL 1 10.564 5.272 -0.347
2 2H VAL 1 HT2 VAL 1 11.246 3.769 0.023
3 3H VAL 1 HT3 VAL 1 11.236 5.001 1.182
4 HA VAL 1 HA VAL 1 9.508 3.094 1.300
5 HB VAL 1 HB VAL 1 7.803 4.751 2.189
6 1HG1 VAL 1 HG11 VAL 1 8.984 5.054 4.154
7 2HG1 VAL 1 HG12 VAL 1 10.508 5.345 3.316
8 3HG1 VAL 1 HG13 VAL 1 9.847 3.713 3.403
9 1HG2 VAL 1 HG21 VAL 1 7.982 6.948 1.825
10 2HG2 VAL 1 HG22 VAL 1 9.125 6.527 0.550
11 3HG2 VAL 1 HG23 VAL 1 9.714 6.948 2.159
12 H ILE 2 HN ILE 2 6.878 3.744 1.082
13 HA ILE 2 HA ILE 2 6.449 3.914 -1.830
14 HB ILE 2 HB ILE 2 4.577 2.415 -0.037
15 1HG1 ILE 2 HG12 ILE 2 6.849 1.508 0.386
16 2HG1 ILE 2 HG11 ILE 2 5.792 0.348 -0.410
17 1HG2 ILE 2 HG21 ILE 2 3.535 2.065 -1.956
18 2HG2 ILE 2 HG22 ILE 2 4.956 1.224 -2.574
19 3HG2 ILE 2 HG23 ILE 2 4.786 2.963 -2.815
20 1HD1 ILE 2 HD11 ILE 2 7.851 2.023 -1.825
21 2HD1 ILE 2 HD12 ILE 2 6.885 0.716 -2.511
22 3HD1 ILE 2 HD13 ILE 2 8.100 0.364 -1.282
23 H HIS 3 HN HIS 3 5.681 5.924 -2.144
24 HA HIS 3 HA HIS 3 3.714 7.027 -0.285
25 1HB HIS 3 HB2 HIS 3 5.603 8.148 -2.271
26 2HB HIS 3 HB1 HIS 3 4.070 8.997 -2.102
27 HD1 HIS 3 HD1 HIS 3 3.581 10.097 0.220
28 HD2 HIS 3 HD2 HIS 3 7.375 8.446 -0.160
29 HE1 HIS 3 HE1 HIS 3 4.910 11.018 2.146
30 HE2 HIS 3 HE2 HIS 3 7.179 9.942 1.941
31 H CYS 4 HN CYS 4 2.119 5.415 -1.029
32 HA CYS 4 HA CYS 4 1.116 5.358 -3.654
33 1HB CYS 4 HB2 CYS 4 -0.581 4.829 -1.226
34 2HB CYS 4 HB1 CYS 4 -0.658 4.061 -2.809
35 H ASP 5 HN ASP 5 0.274 7.009 -4.720
36 HA ASP 5 HA ASP 5 -0.932 8.856 -5.256
37 1HB ASP 5 HB2 ASP 5 -2.638 7.245 -3.810
38 2HB ASP 5 HB1 ASP 5 -2.767 8.790 -2.974
39 H ALA 6 HN ALA 6 1.222 8.884 -3.084
40 HA ALA 6 HA ALA 6 2.253 10.396 -1.734
41 1HB ALA 6 HB1 ALA 6 1.766 12.822 -2.272
42 2HB ALA 6 HB2 ALA 6 0.609 12.225 -3.463
43 3HB ALA 6 HB3 ALA 6 2.319 11.820 -3.614
44 H ALA 7 HN ALA 7 -0.344 9.221 -0.879
45 HA ALA 7 HA ALA 7 -0.886 11.127 1.284
46 1HB ALA 7 HB1 ALA 7 -2.670 11.452 -0.319
47 2HB ALA 7 HB2 ALA 7 -3.298 10.661 1.127
48 3HB ALA 7 HB3 ALA 7 -3.002 9.720 -0.336
49 H THR 8 HN THR 8 0.046 8.102 0.399
50 HA THR 8 HA THR 8 -0.573 7.040 3.052
51 HB THR 8 HB THR 8 -1.021 5.392 0.560
52 HG1 THR 8 HG1 THR 8 -2.656 7.167 1.838
53 1HG2 THR 8 HG21 THR 8 -0.372 4.108 2.543
54 2HG2 THR 8 HG22 THR 8 -2.056 3.803 2.114
55 3HG2 THR 8 HG23 THR 8 -1.670 4.869 3.465
56 H ILE 9 HN ILE 9 1.411 6.762 3.859
57 HA ILE 9 HA ILE 9 3.625 5.961 2.174
58 HB ILE 9 HB ILE 9 3.735 6.208 5.169
59 1HG1 ILE 9 HG12 ILE 9 4.241 8.516 3.304
60 2HG1 ILE 9 HG11 ILE 9 2.637 8.220 3.967
61 1HG2 ILE 9 HG21 ILE 9 6.031 7.247 4.107
62 2HG2 ILE 9 HG22 ILE 9 5.641 5.958 2.969
63 3HG2 ILE 9 HG23 ILE 9 5.832 5.592 4.683
64 1HD1 ILE 9 HD11 ILE 9 4.955 8.374 5.823
65 2HD1 ILE 9 HD12 ILE 9 3.263 8.793 6.090
66 3HD1 ILE 9 HD13 ILE 9 4.296 9.859 5.138
67 H CYS 10 HN CYS 10 4.735 4.026 2.271
68 HA CYS 10 HA CYS 10 3.795 1.951 4.096
69 1HB CYS 10 HB2 CYS 10 3.494 1.901 1.117
70 2HB CYS 10 HB1 CYS 10 3.785 0.395 1.980
71 HA PRO 11 HA PRO 11 8.020 0.712 4.315
72 1HB PRO 11 HB2 PRO 11 7.138 -2.099 3.958
73 2HB PRO 11 HB1 PRO 11 8.058 -1.366 5.277
74 1HG PRO 11 HG2 PRO 11 5.497 -2.046 5.598
75 2HG PRO 11 HG1 PRO 11 6.158 -0.578 6.341
76 1HD PRO 11 HD2 PRO 11 4.441 -0.870 3.913
77 2HD PRO 11 HD1 PRO 11 4.407 0.378 5.176
78 H ASP 12 HN ASP 12 9.708 0.316 2.965
79 HA ASP 12 HA ASP 12 9.376 0.379 0.214
80 1HB ASP 12 HB2 ASP 12 11.858 -0.806 0.554
81 2HB ASP 12 HB1 ASP 12 11.530 0.921 0.512
82 H GLY 13 HN GLY 13 9.574 -2.358 2.374
83 1HA GLY 13 HA2 GLY 13 9.846 -4.272 0.215
84 2HA GLY 13 HA1 GLY 13 9.694 -4.641 1.924
85 H THR 14 HN THR 14 7.373 -2.512 0.462
86 HA THR 14 HA THR 14 5.468 -4.700 0.082
87 HB THR 14 HB THR 14 3.713 -3.542 1.360
88 HG1 THR 14 HG1 THR 14 4.374 -1.433 1.398
89 1HG2 THR 14 HG21 THR 14 5.942 -3.783 3.318
90 2HG2 THR 14 HG22 THR 14 5.516 -5.202 2.362
91 3HG2 THR 14 HG23 THR 14 4.304 -4.432 3.386
92 H THR 15 HN THR 15 3.416 -3.925 -0.930
93 HA THR 15 HA THR 15 3.889 -1.564 -2.633
94 HB THR 15 HB THR 15 4.184 -3.562 -3.990
95 HG1 THR 15 HG1 THR 15 2.935 -1.661 -4.775
96 1HG2 THR 15 HG21 THR 15 1.521 -4.582 -4.067
97 2HG2 THR 15 HG22 THR 15 2.077 -4.583 -2.393
98 3HG2 THR 15 HG23 THR 15 3.011 -5.420 -3.634
99 H CYS 16 HN CYS 16 1.863 -0.665 -3.579
100 HA CYS 16 HA CYS 16 -0.105 -0.359 -1.499
101 1HB CYS 16 HB2 CYS 16 -0.358 0.810 -4.254
102 2HB CYS 16 HB1 CYS 16 -0.929 1.461 -2.722
103 H SER 17 HN SER 17 -1.815 -1.612 -1.261
104 HA SER 17 HA SER 17 -3.046 -2.805 -3.657
105 1HB SER 17 HB2 SER 17 -3.083 -4.166 -0.972
106 2HB SER 17 HB1 SER 17 -3.384 -4.861 -2.565
107 HG SER 17 HG SER 17 -1.169 -5.001 -1.318
108 H LEU 18 HN LEU 18 -5.262 -2.753 -3.767
109 HA LEU 18 HA LEU 18 -6.564 -1.027 -1.808
110 1HB LEU 18 HB2 LEU 18 -6.989 -1.694 -4.638
111 2HB LEU 18 HB1 LEU 18 -8.461 -1.525 -3.701
112 HG LEU 18 HG LEU 18 -6.307 0.567 -4.021
113 1HD1 LEU 18 HD11 LEU 18 -7.864 1.765 -5.344
114 2HD1 LEU 18 HD12 LEU 18 -9.162 0.633 -4.963
115 3HD1 LEU 18 HD13 LEU 18 -7.816 0.120 -5.980
116 1HD2 LEU 18 HD21 LEU 18 -7.090 1.089 -1.938
117 2HD2 LEU 18 HD22 LEU 18 -8.671 0.364 -2.228
118 3HD2 LEU 18 HD23 LEU 18 -8.280 1.935 -2.928
119 H SER 19 HN SER 19 -8.050 -1.672 -0.404
120 HA SER 19 HA SER 19 -8.658 -4.509 -0.220
121 1HB SER 19 HB2 SER 19 -8.225 -2.465 1.650
122 2HB SER 19 HB1 SER 19 -9.942 -2.846 1.782
123 HG SER 19 HG SER 19 -8.496 -4.142 3.114
124 HA PRO 20 HA PRO 20 -12.795 -4.527 -1.766
125 1HB PRO 20 HB2 PRO 20 -13.797 -5.405 0.897
126 2HB PRO 20 HB1 PRO 20 -14.008 -6.154 -0.691
127 1HG PRO 20 HG2 PRO 20 -12.321 -7.200 1.074
128 2HG PRO 20 HG1 PRO 20 -11.903 -7.140 -0.649
129 1HD PRO 20 HD2 PRO 20 -10.959 -5.399 1.595
130 2HD PRO 20 HD1 PRO 20 -10.050 -6.050 0.215
131 H TYR 21 HN TYR 21 -11.957 -2.608 0.901
132 HA TYR 21 HA TYR 21 -14.496 -1.124 0.725
133 1HB TYR 21 HB2 TYR 21 -12.879 -0.453 3.043
134 2HB TYR 21 HB1 TYR 21 -14.559 -0.972 2.963
135 HD1 TYR 21 HD1 TYR 21 -11.302 -1.848 4.024
136 HD2 TYR 21 HD2 TYR 21 -14.938 -3.534 2.595
137 HE1 TYR 21 HE1 TYR 21 -10.669 -4.019 4.989
138 HE2 TYR 21 HE2 TYR 21 -14.315 -5.709 3.555
139 HH TYR 21 HH TYR 21 -11.452 -6.637 4.307
140 H GLY 22 HN GLY 22 -12.050 -0.900 -0.955
141 1HA GLY 22 HA2 GLY 22 -10.803 0.760 -1.931
142 2HA GLY 22 HA1 GLY 22 -11.974 1.878 -1.247
143 H VAL 23 HN VAL 23 -9.882 -0.266 0.604
144 HA VAL 23 HA VAL 23 -8.635 2.115 1.795
145 HB VAL 23 HB VAL 23 -8.806 -0.694 2.899
146 1HG1 VAL 23 HG11 VAL 23 -7.923 0.246 4.956
147 2HG1 VAL 23 HG12 VAL 23 -7.817 1.839 4.205
148 3HG1 VAL 23 HG13 VAL 23 -6.797 0.522 3.627
149 1HG2 VAL 23 HG21 VAL 23 -10.126 1.286 4.483
150 2HG2 VAL 23 HG22 VAL 23 -10.795 -0.161 3.729
151 3HG2 VAL 23 HG23 VAL 23 -10.737 1.355 2.830
152 H TRP 24 HN TRP 24 -6.576 2.536 1.387
153 HA TRP 24 HA TRP 24 -4.996 0.691 -0.171
154 1HB TRP 24 HB2 TRP 24 -4.590 3.506 0.805
155 2HB TRP 24 HB1 TRP 24 -3.268 2.599 0.077
156 HD1 TRP 24 HD1 TRP 24 -6.096 4.800 -0.815
157 HE1 TRP 24 HE1 TRP 24 -6.452 4.825 -3.364
158 HE3 TRP 24 HE3 TRP 24 -3.165 0.807 -2.085
159 HZ2 TRP 24 HZ2 TRP 24 -5.603 3.348 -5.615
160 HZ3 TRP 24 HZ3 TRP 24 -2.992 0.179 -4.458
161 HH2 TRP 24 HH2 TRP 24 -4.186 1.424 -6.185
162 H TYR 25 HN TYR 25 -3.935 -0.913 0.786
163 HA TYR 25 HA TYR 25 -2.536 -0.346 3.312
164 1HB TYR 25 HB2 TYR 25 -2.940 -2.665 4.015
165 2HB TYR 25 HB1 TYR 25 -4.454 -1.807 3.755
166 HD1 TYR 25 HD1 TYR 25 -5.837 -2.317 1.767
167 HD2 TYR 25 HD2 TYR 25 -2.342 -4.563 2.687
168 HE1 TYR 25 HE1 TYR 25 -6.588 -4.097 0.248
169 HE2 TYR 25 HE2 TYR 25 -3.084 -6.349 1.169
170 HH TYR 25 HH TYR 25 -5.506 -7.117 0.274
171 H CYS 26 HN CYS 26 -0.565 -1.506 3.652
172 HA CYS 26 HA CYS 26 0.880 -1.947 1.177
173 1HB CYS 26 HB2 CYS 26 2.255 -2.409 3.752
174 2HB CYS 26 HB1 CYS 26 2.767 -1.475 2.351
175 H SER 27 HN SER 27 1.392 -3.867 0.342
176 HA SER 27 HA SER 27 1.179 -6.247 2.055
177 1HB SER 27 HB2 SER 27 -0.842 -6.246 0.769
178 2HB SER 27 HB1 SER 27 0.035 -5.874 -0.714
179 HG SER 27 HG SER 27 -0.535 -8.109 -0.503
180 HA PRO 28 HA PRO 28 5.287 -6.875 0.404
181 1HB PRO 28 HB2 PRO 28 5.101 -9.534 1.637
182 2HB PRO 28 HB1 PRO 28 6.209 -8.208 1.998
183 1HG PRO 28 HG2 PRO 28 4.250 -8.920 3.696
184 2HG PRO 28 HG1 PRO 28 4.763 -7.233 3.508
185 1HD PRO 28 HD2 PRO 28 2.376 -8.628 2.349
186 2HD PRO 28 HD1 PRO 28 2.493 -7.007 3.069
187 H PHE 29 HN PHE 29 6.242 -8.027 -1.262
188 HA PHE 29 HA PHE 29 4.428 -9.776 -2.770
189 1HB PHE 29 HB2 PHE 29 6.421 -9.237 -4.523
190 2HB PHE 29 HB1 PHE 29 4.967 -8.260 -4.363
191 HD1 PHE 29 HD1 PHE 29 5.147 -5.999 -3.933
192 HD2 PHE 29 HD2 PHE 29 8.438 -8.550 -3.055
193 HE1 PHE 29 HE1 PHE 29 6.526 -4.032 -3.404
194 HE2 PHE 29 HE2 PHE 29 9.823 -6.588 -2.524
195 HZ PHE 29 HZ PHE 29 8.867 -4.324 -2.698
196 H SER 30 HN SER 30 7.346 -9.721 -0.999
197 HA SER 30 HA SER 30 8.912 -11.288 -0.498
198 1HB SER 30 HB2 SER 30 7.085 -12.698 0.164
199 2HB SER 30 HB1 SER 30 6.724 -13.112 -1.512
200 HG SER 30 HG SER 30 8.187 -14.609 -1.424
Start of MODEL 8
1 1H VAL 1 HT1 VAL 1 11.704 3.936 1.321
2 2H VAL 1 HT2 VAL 1 11.016 4.964 0.167
3 3H VAL 1 HT3 VAL 1 11.302 3.340 -0.211
4 HA VAL 1 HA VAL 1 9.675 2.609 1.364
5 HB VAL 1 HB VAL 1 8.188 4.417 2.392
6 1HG1 VAL 1 HG11 VAL 1 10.427 3.105 3.326
7 2HG1 VAL 1 HG12 VAL 1 9.251 3.982 4.305
8 3HG1 VAL 1 HG13 VAL 1 10.724 4.787 3.765
9 1HG2 VAL 1 HG21 VAL 1 8.918 6.330 1.142
10 2HG2 VAL 1 HG22 VAL 1 10.586 6.094 1.663
11 3HG2 VAL 1 HG23 VAL 1 9.357 6.574 2.833
12 H ILE 2 HN ILE 2 7.406 2.505 0.875
13 HA ILE 2 HA ILE 2 6.857 3.366 -1.853
14 HB ILE 2 HB ILE 2 4.999 1.673 -0.221
15 1HG1 ILE 2 HG12 ILE 2 7.213 0.679 0.108
16 2HG1 ILE 2 HG11 ILE 2 6.230 -0.337 -0.940
17 1HG2 ILE 2 HG21 ILE 2 5.634 1.994 -3.133
18 2HG2 ILE 2 HG22 ILE 2 4.098 2.238 -2.303
19 3HG2 ILE 2 HG23 ILE 2 4.733 0.607 -2.521
20 1HD1 ILE 2 HD11 ILE 2 7.532 0.056 -2.768
21 2HD1 ILE 2 HD12 ILE 2 8.741 0.187 -1.492
22 3HD1 ILE 2 HD13 ILE 2 8.046 1.645 -2.201
23 H HIS 3 HN HIS 3 5.480 4.956 -2.373
24 HA HIS 3 HA HIS 3 3.701 5.998 -0.264
25 1HB HIS 3 HB2 HIS 3 5.380 7.469 -2.284
26 2HB HIS 3 HB1 HIS 3 3.980 8.226 -1.532
27 HD1 HIS 3 HD1 HIS 3 4.616 9.617 0.395
28 HD2 HIS 3 HD2 HIS 3 7.146 6.349 -0.035
29 HE1 HIS 3 HE1 HIS 3 6.300 9.822 2.252
30 HE2 HIS 3 HE2 HIS 3 7.856 7.865 1.937
31 H CYS 4 HN CYS 4 4.173 5.638 -3.757
32 HA CYS 4 HA CYS 4 2.731 5.444 -5.497
33 1HB CYS 4 HB2 CYS 4 0.443 4.706 -3.749
34 2HB CYS 4 HB1 CYS 4 1.015 3.954 -5.235
35 H ASP 5 HN ASP 5 0.036 6.146 -3.363
36 HA ASP 5 HA ASP 5 -0.715 8.389 -5.002
37 1HB ASP 5 HB2 ASP 5 -2.120 6.573 -3.501
38 2HB ASP 5 HB1 ASP 5 -2.187 8.012 -2.488
39 H ALA 6 HN ALA 6 1.533 8.145 -2.691
40 HA ALA 6 HA ALA 6 2.619 9.593 -1.317
41 1HB ALA 6 HB1 ALA 6 2.076 12.107 -1.873
42 2HB ALA 6 HB2 ALA 6 1.292 11.392 -3.282
43 3HB ALA 6 HB3 ALA 6 3.007 11.107 -2.987
44 H ALA 7 HN ALA 7 -0.298 8.734 -0.790
45 HA ALA 7 HA ALA 7 -1.049 10.826 1.126
46 1HB ALA 7 HB1 ALA 7 -2.699 9.872 -0.575
47 2HB ALA 7 HB2 ALA 7 -3.230 9.963 1.104
48 3HB ALA 7 HB3 ALA 7 -2.707 8.421 0.427
49 H THR 8 HN THR 8 -0.192 7.427 0.882
50 HA THR 8 HA THR 8 0.057 7.341 3.817
51 HB THR 8 HB THR 8 -1.843 5.940 3.005
52 HG1 THR 8 HG1 THR 8 -0.610 3.883 3.929
53 1HG2 THR 8 HG21 THR 8 0.350 4.370 1.646
54 2HG2 THR 8 HG22 THR 8 -0.934 5.275 0.843
55 3HG2 THR 8 HG23 THR 8 -1.329 3.853 1.809
56 H ILE 9 HN ILE 9 1.685 5.818 4.609
57 HA ILE 9 HA ILE 9 3.928 5.576 2.716
58 HB ILE 9 HB ILE 9 4.065 5.748 5.730
59 1HG1 ILE 9 HG12 ILE 9 4.974 7.837 3.756
60 2HG1 ILE 9 HG11 ILE 9 3.342 7.836 4.417
61 1HG2 ILE 9 HG21 ILE 9 6.528 6.378 4.518
62 2HG2 ILE 9 HG22 ILE 9 5.956 4.891 3.761
63 3HG2 ILE 9 HG23 ILE 9 6.136 4.976 5.514
64 1HD1 ILE 9 HD11 ILE 9 4.507 9.317 5.771
65 2HD1 ILE 9 HD12 ILE 9 5.940 8.290 5.826
66 3HD1 ILE 9 HD13 ILE 9 4.486 7.823 6.709
67 H CYS 10 HN CYS 10 5.041 3.668 2.546
68 HA CYS 10 HA CYS 10 4.089 1.387 4.133
69 1HB CYS 10 HB2 CYS 10 4.254 1.605 1.134
70 2HB CYS 10 HB1 CYS 10 4.293 0.044 1.947
71 HA PRO 11 HA PRO 11 8.383 0.383 4.427
72 1HB PRO 11 HB2 PRO 11 8.338 -2.286 4.779
73 2HB PRO 11 HB1 PRO 11 7.734 -1.168 6.008
74 1HG PRO 11 HG2 PRO 11 6.213 -2.788 4.007
75 2HG PRO 11 HG1 PRO 11 5.841 -2.474 5.712
76 1HD PRO 11 HD2 PRO 11 4.674 -1.142 3.619
77 2HD PRO 11 HD1 PRO 11 4.849 -0.464 5.248
78 H ASP 12 HN ASP 12 10.089 -0.081 3.133
79 HA ASP 12 HA ASP 12 9.775 -0.475 0.405
80 1HB ASP 12 HB2 ASP 12 12.163 -0.915 2.197
81 2HB ASP 12 HB1 ASP 12 12.243 -1.050 0.444
82 H GLY 13 HN GLY 13 8.641 -2.225 -0.294
83 1HA GLY 13 HA2 GLY 13 9.511 -4.552 -1.050
84 2HA GLY 13 HA1 GLY 13 9.437 -4.884 0.674
85 H THR 14 HN THR 14 6.999 -2.813 0.241
86 HA THR 14 HA THR 14 5.064 -4.970 -0.293
87 HB THR 14 HB THR 14 3.454 -3.449 1.000
88 HG1 THR 14 HG1 THR 14 4.745 -1.581 1.068
89 1HG2 THR 14 HG21 THR 14 5.454 -4.261 2.977
90 2HG2 THR 14 HG22 THR 14 5.067 -5.513 1.797
91 3HG2 THR 14 HG23 THR 14 3.785 -4.791 2.771
92 H THR 15 HN THR 15 3.182 -4.470 -1.500
93 HA THR 15 HA THR 15 3.561 -2.194 -3.321
94 HB THR 15 HB THR 15 3.500 -4.381 -4.418
95 HG1 THR 15 HG1 THR 15 2.660 -2.820 -5.714
96 1HG2 THR 15 HG21 THR 15 1.119 -4.713 -2.725
97 2HG2 THR 15 HG22 THR 15 2.218 -5.923 -3.387
98 3HG2 THR 15 HG23 THR 15 0.926 -5.263 -4.390
99 H CYS 16 HN CYS 16 1.754 -0.921 -3.955
100 HA CYS 16 HA CYS 16 -0.059 -0.380 -1.798
101 1HB CYS 16 HB2 CYS 16 -0.753 0.947 -4.281
102 2HB CYS 16 HB1 CYS 16 -0.221 1.642 -2.754
103 H SER 17 HN SER 17 -1.808 -1.584 -1.450
104 HA SER 17 HA SER 17 -3.327 -2.522 -3.798
105 1HB SER 17 HB2 SER 17 -2.224 -4.024 -1.618
106 2HB SER 17 HB1 SER 17 -3.983 -4.134 -1.561
107 HG SER 17 HG SER 17 -3.885 -4.740 -3.806
108 H LEU 18 HN LEU 18 -5.527 -2.285 -3.791
109 HA LEU 18 HA LEU 18 -6.591 -0.510 -1.722
110 1HB LEU 18 HB2 LEU 18 -7.141 -0.962 -4.575
111 2HB LEU 18 HB1 LEU 18 -8.569 -0.717 -3.588
112 HG LEU 18 HG LEU 18 -6.234 1.192 -3.759
113 1HD1 LEU 18 HD11 LEU 18 -7.309 2.347 -5.365
114 2HD1 LEU 18 HD12 LEU 18 -8.906 1.967 -4.718
115 3HD1 LEU 18 HD13 LEU 18 -8.049 0.783 -5.706
116 1HD2 LEU 18 HD21 LEU 18 -8.867 1.316 -2.303
117 2HD2 LEU 18 HD22 LEU 18 -7.859 2.730 -2.612
118 3HD2 LEU 18 HD23 LEU 18 -7.244 1.409 -1.618
119 H SER 19 HN SER 19 -7.935 -1.210 -0.223
120 HA SER 19 HA SER 19 -8.764 -3.957 -0.166
121 1HB SER 19 HB2 SER 19 -8.911 -3.602 2.052
122 2HB SER 19 HB1 SER 19 -8.261 -1.993 1.739
123 HG SER 19 HG SER 19 -10.196 -1.846 2.896
124 HA PRO 20 HA PRO 20 -12.872 -3.902 -1.763
125 1HB PRO 20 HB2 PRO 20 -14.395 -4.699 0.446
126 2HB PRO 20 HB1 PRO 20 -13.626 -5.773 -0.727
127 1HG PRO 20 HG2 PRO 20 -12.705 -4.945 1.980
128 2HG PRO 20 HG1 PRO 20 -12.520 -6.502 1.156
129 1HD PRO 20 HD2 PRO 20 -10.478 -4.783 1.389
130 2HD PRO 20 HD1 PRO 20 -10.695 -5.775 -0.065
131 H TYR 21 HN TYR 21 -12.068 -1.999 0.954
132 HA TYR 21 HA TYR 21 -14.503 -0.381 0.592
133 1HB TYR 21 HB2 TYR 21 -12.967 0.044 3.067
134 2HB TYR 21 HB1 TYR 21 -14.704 -0.105 2.830
135 HD1 TYR 21 HD1 TYR 21 -15.413 -2.622 2.096
136 HD2 TYR 21 HD2 TYR 21 -11.973 -1.572 4.366
137 HE1 TYR 21 HE1 TYR 21 -15.348 -4.891 3.033
138 HE2 TYR 21 HE2 TYR 21 -11.899 -3.839 5.314
139 HH TYR 21 HH TYR 21 -13.388 -5.723 5.700
140 H GLY 22 HN GLY 22 -12.012 -0.222 -0.938
141 1HA GLY 22 HA2 GLY 22 -10.582 1.375 -1.760
142 2HA GLY 22 HA1 GLY 22 -11.718 2.544 -1.103
143 H VAL 23 HN VAL 23 -9.560 0.184 0.459
144 HA VAL 23 HA VAL 23 -8.407 2.419 1.996
145 HB VAL 23 HB VAL 23 -8.444 -0.475 2.846
146 1HG1 VAL 23 HG11 VAL 23 -7.237 0.177 4.598
147 2HG1 VAL 23 HG12 VAL 23 -8.329 1.523 4.927
148 3HG1 VAL 23 HG13 VAL 23 -7.008 1.721 3.776
149 1HG2 VAL 23 HG21 VAL 23 -10.325 0.011 4.253
150 2HG2 VAL 23 HG22 VAL 23 -10.741 0.457 2.598
151 3HG2 VAL 23 HG23 VAL 23 -10.310 1.706 3.766
152 H TRP 24 HN TRP 24 -6.409 2.925 1.424
153 HA TRP 24 HA TRP 24 -4.798 1.182 -0.180
154 1HB TRP 24 HB2 TRP 24 -4.267 3.880 1.068
155 2HB TRP 24 HB1 TRP 24 -3.089 3.029 0.074
156 HD1 TRP 24 HD1 TRP 24 -5.994 5.343 -0.169
157 HE1 TRP 24 HE1 TRP 24 -6.606 5.739 -2.639
158 HE3 TRP 24 HE3 TRP 24 -3.188 1.640 -2.305
159 HZ2 TRP 24 HZ2 TRP 24 -5.983 4.626 -5.158
160 HZ3 TRP 24 HZ3 TRP 24 -3.253 1.371 -4.749
161 HH2 TRP 24 HH2 TRP 24 -4.623 2.834 -6.145
162 H TYR 25 HN TYR 25 -3.952 -0.571 0.769
163 HA TYR 25 HA TYR 25 -2.416 -0.161 3.246
164 1HB TYR 25 HB2 TYR 25 -2.982 -2.426 3.948
165 2HB TYR 25 HB1 TYR 25 -4.445 -1.485 3.688
166 HD1 TYR 25 HD1 TYR 25 -2.462 -4.332 2.575
167 HD2 TYR 25 HD2 TYR 25 -5.897 -1.957 1.761
168 HE1 TYR 25 HE1 TYR 25 -3.313 -6.087 1.077
169 HE2 TYR 25 HE2 TYR 25 -6.757 -3.705 0.262
170 HH TYR 25 HH TYR 25 -5.689 -5.619 -1.140
171 H CYS 26 HN CYS 26 -0.565 -1.543 3.524
172 HA CYS 26 HA CYS 26 0.809 -1.984 1.007
173 1HB CYS 26 HB2 CYS 26 2.096 -2.575 3.633
174 2HB CYS 26 HB1 CYS 26 2.777 -1.832 2.189
175 H SER 27 HN SER 27 0.448 -3.858 0.024
176 HA SER 27 HA SER 27 0.056 -6.286 1.596
177 1HB SER 27 HB2 SER 27 -1.536 -6.425 -0.031
178 2HB SER 27 HB1 SER 27 -0.624 -5.418 -1.154
179 HG SER 27 HG SER 27 -0.227 -7.260 -2.092
180 HA PRO 28 HA PRO 28 4.399 -7.195 0.875
181 1HB PRO 28 HB2 PRO 28 4.472 -9.510 2.277
182 2HB PRO 28 HB1 PRO 28 4.480 -7.921 3.051
183 1HG PRO 28 HG2 PRO 28 2.201 -9.819 2.644
184 2HG PRO 28 HG1 PRO 28 2.617 -8.863 4.078
185 1HD PRO 28 HD2 PRO 28 0.680 -8.122 2.328
186 2HD PRO 28 HD1 PRO 28 1.656 -6.949 3.235
187 H PHE 29 HN PHE 29 5.202 -8.081 -0.908
188 HA PHE 29 HA PHE 29 3.924 -10.512 -1.973
189 1HB PHE 29 HB2 PHE 29 4.598 -9.723 -4.228
190 2HB PHE 29 HB1 PHE 29 3.466 -8.636 -3.432
191 HD1 PHE 29 HD1 PHE 29 4.123 -6.430 -2.757
192 HD2 PHE 29 HD2 PHE 29 6.921 -9.075 -4.569
193 HE1 PHE 29 HE1 PHE 29 5.656 -4.544 -3.131
194 HE2 PHE 29 HE2 PHE 29 8.463 -7.194 -4.943
195 HZ PHE 29 HZ PHE 29 7.832 -4.925 -4.223
196 H SER 30 HN SER 30 6.829 -8.978 -0.983
197 HA SER 30 HA SER 30 8.538 -10.977 -2.234
198 1HB SER 30 HB2 SER 30 10.254 -9.566 -0.721
199 2HB SER 30 HB1 SER 30 9.728 -9.028 -2.316
200 HG SER 30 HG SER 30 8.713 -8.222 0.205
Start of MODEL 9
1 1H VAL 1 HT1 VAL 1 10.592 5.170 1.535
2 2H VAL 1 HT2 VAL 1 10.338 4.936 -0.121
3 3H VAL 1 HT3 VAL 1 10.976 3.685 0.821
4 HA VAL 1 HA VAL 1 8.986 2.931 1.312
5 HB VAL 1 HB VAL 1 7.278 4.419 2.384
6 1HG1 VAL 1 HG11 VAL 1 9.858 4.934 3.775
7 2HG1 VAL 1 HG12 VAL 1 9.370 3.264 3.488
8 3HG1 VAL 1 HG13 VAL 1 8.327 4.340 4.417
9 1HG2 VAL 1 HG21 VAL 1 7.440 6.652 2.422
10 2HG2 VAL 1 HG22 VAL 1 8.588 6.448 1.099
11 3HG2 VAL 1 HG23 VAL 1 9.171 6.615 2.755
12 H ILE 2 HN ILE 2 6.908 2.618 0.426
13 HA ILE 2 HA ILE 2 6.608 3.745 -2.220
14 HB ILE 2 HB ILE 2 4.710 1.819 -0.899
15 1HG1 ILE 2 HG12 ILE 2 6.974 0.913 -0.633
16 2HG1 ILE 2 HG11 ILE 2 6.066 -0.018 -1.819
17 1HG2 ILE 2 HG21 ILE 2 4.487 3.070 -3.250
18 2HG2 ILE 2 HG22 ILE 2 3.868 1.444 -2.961
19 3HG2 ILE 2 HG23 ILE 2 5.425 1.666 -3.758
20 1HD1 ILE 2 HD11 ILE 2 8.557 1.388 -2.104
21 2HD1 ILE 2 HD12 ILE 2 7.381 1.940 -3.296
22 3HD1 ILE 2 HD13 ILE 2 7.788 0.227 -3.187
23 H HIS 3 HN HIS 3 5.526 5.562 -2.565
24 HA HIS 3 HA HIS 3 3.548 6.470 -0.618
25 1HB HIS 3 HB2 HIS 3 5.357 7.755 -2.507
26 2HB HIS 3 HB1 HIS 3 3.723 8.406 -2.600
27 HD1 HIS 3 HD1 HIS 3 2.775 9.514 -0.404
28 HD2 HIS 3 HD2 HIS 3 6.798 8.484 -0.268
29 HE1 HIS 3 HE1 HIS 3 3.716 10.739 1.580
30 HE2 HIS 3 HE2 HIS 3 6.166 10.153 1.604
31 H CYS 4 HN CYS 4 3.823 5.941 -4.120
32 HA CYS 4 HA CYS 4 2.296 5.445 -5.723
33 1HB CYS 4 HB2 CYS 4 1.321 4.158 -3.339
34 2HB CYS 4 HB1 CYS 4 -0.035 4.711 -4.316
35 H ASP 5 HN ASP 5 -0.163 6.351 -3.352
36 HA ASP 5 HA ASP 5 -1.151 8.375 -5.177
37 1HB ASP 5 HB2 ASP 5 -3.074 8.508 -3.706
38 2HB ASP 5 HB1 ASP 5 -2.703 6.817 -4.026
39 H ALA 6 HN ALA 6 1.325 8.480 -3.216
40 HA ALA 6 HA ALA 6 2.443 10.066 -2.027
41 1HB ALA 6 HB1 ALA 6 1.003 11.447 -4.126
42 2HB ALA 6 HB2 ALA 6 2.645 11.694 -3.532
43 3HB ALA 6 HB3 ALA 6 1.289 12.486 -2.731
44 H ALA 7 HN ALA 7 0.007 8.911 -0.859
45 HA ALA 7 HA ALA 7 -0.458 10.983 1.166
46 1HB ALA 7 HB1 ALA 7 -2.592 11.219 0.611
47 2HB ALA 7 HB2 ALA 7 -2.857 9.505 0.933
48 3HB ALA 7 HB3 ALA 7 -2.405 10.039 -0.687
49 H THR 8 HN THR 8 -0.355 7.604 0.271
50 HA THR 8 HA THR 8 -0.412 6.866 3.124
51 HB THR 8 HB THR 8 -0.811 4.934 0.848
52 HG1 THR 8 HG1 THR 8 -3.087 5.237 1.281
53 1HG2 THR 8 HG21 THR 8 -1.149 4.894 3.811
54 2HG2 THR 8 HG22 THR 8 -0.469 3.670 2.739
55 3HG2 THR 8 HG23 THR 8 -2.216 3.898 2.820
56 H ILE 9 HN ILE 9 1.496 6.398 3.975
57 HA ILE 9 HA ILE 9 3.753 5.759 2.256
58 HB ILE 9 HB ILE 9 3.680 6.119 5.255
59 1HG1 ILE 9 HG12 ILE 9 5.035 8.250 4.005
60 2HG1 ILE 9 HG11 ILE 9 3.545 8.026 3.094
61 1HG2 ILE 9 HG21 ILE 9 6.121 6.453 5.005
62 2HG2 ILE 9 HG22 ILE 9 5.978 5.996 3.308
63 3HG2 ILE 9 HG23 ILE 9 5.594 4.826 4.571
64 1HD1 ILE 9 HD11 ILE 9 2.829 7.897 5.799
65 2HD1 ILE 9 HD12 ILE 9 2.489 9.187 4.645
66 3HD1 ILE 9 HD13 ILE 9 3.944 9.254 5.640
67 H CYS 10 HN CYS 10 4.888 3.849 2.276
68 HA CYS 10 HA CYS 10 3.529 1.600 3.584
69 1HB CYS 10 HB2 CYS 10 5.158 1.838 1.079
70 2HB CYS 10 HB1 CYS 10 4.999 0.277 1.880
71 HA PRO 11 HA PRO 11 6.983 0.844 6.238
72 1HB PRO 11 HB2 PRO 11 6.513 -2.027 6.058
73 2HB PRO 11 HB1 PRO 11 6.257 -0.944 7.428
74 1HG PRO 11 HG2 PRO 11 4.208 -2.076 6.087
75 2HG PRO 11 HG1 PRO 11 4.091 -0.457 6.802
76 1HD PRO 11 HD2 PRO 11 4.598 -1.236 3.950
77 2HD PRO 11 HD1 PRO 11 3.529 0.027 4.600
78 H ASP 12 HN ASP 12 7.284 0.447 3.148
79 HA ASP 12 HA ASP 12 9.011 0.002 1.739
80 1HB ASP 12 HB2 ASP 12 10.401 -0.433 4.361
81 2HB ASP 12 HB1 ASP 12 11.211 -0.768 2.834
82 H GLY 13 HN GLY 13 9.516 -1.710 0.472
83 1HA GLY 13 HA2 GLY 13 9.803 -3.915 -0.174
84 2HA GLY 13 HA1 GLY 13 9.718 -4.384 1.518
85 H THR 14 HN THR 14 7.199 -2.415 0.234
86 HA THR 14 HA THR 14 5.439 -4.764 -0.011
87 HB THR 14 HB THR 14 3.613 -3.438 1.012
88 HG1 THR 14 HG1 THR 14 5.577 -1.628 1.944
89 1HG2 THR 14 HG21 THR 14 6.060 -3.730 2.761
90 2HG2 THR 14 HG22 THR 14 4.886 -4.997 2.400
91 3HG2 THR 14 HG23 THR 14 4.396 -3.581 3.331
92 H THR 15 HN THR 15 3.241 -4.003 -0.997
93 HA THR 15 HA THR 15 3.760 -2.069 -3.156
94 HB THR 15 HB THR 15 3.939 -4.307 -4.114
95 HG1 THR 15 HG1 THR 15 2.719 -3.781 -5.809
96 1HG2 THR 15 HG21 THR 15 2.739 -5.811 -2.864
97 2HG2 THR 15 HG22 THR 15 1.610 -5.553 -4.194
98 3HG2 THR 15 HG23 THR 15 1.371 -4.716 -2.661
99 H CYS 16 HN CYS 16 1.911 -1.001 -4.001
100 HA CYS 16 HA CYS 16 -0.040 -0.377 -2.017
101 1HB CYS 16 HB2 CYS 16 -0.416 0.448 -4.860
102 2HB CYS 16 HB1 CYS 16 -0.661 1.372 -3.381
103 H SER 17 HN SER 17 -1.691 -1.650 -1.550
104 HA SER 17 HA SER 17 -3.170 -2.909 -3.761
105 1HB SER 17 HB2 SER 17 -3.416 -4.379 -1.270
106 2HB SER 17 HB1 SER 17 -2.953 -4.960 -2.869
107 HG SER 17 HG SER 17 -0.888 -4.720 -2.380
108 H LEU 18 HN LEU 18 -5.352 -2.717 -3.700
109 HA LEU 18 HA LEU 18 -6.448 -0.980 -1.634
110 1HB LEU 18 HB2 LEU 18 -7.151 -1.679 -4.406
111 2HB LEU 18 HB1 LEU 18 -8.519 -1.454 -3.333
112 HG LEU 18 HG LEU 18 -6.345 0.583 -3.833
113 1HD1 LEU 18 HD11 LEU 18 -7.556 1.401 -5.510
114 2HD1 LEU 18 HD12 LEU 18 -9.052 1.292 -4.581
115 3HD1 LEU 18 HD13 LEU 18 -8.462 -0.112 -5.472
116 1HD2 LEU 18 HD21 LEU 18 -8.548 1.831 -2.724
117 2HD2 LEU 18 HD22 LEU 18 -7.034 1.455 -1.901
118 3HD2 LEU 18 HD23 LEU 18 -8.397 0.340 -1.794
119 H SER 19 HN SER 19 -8.316 -1.464 -0.450
120 HA SER 19 HA SER 19 -8.627 -4.311 0.112
121 1HB SER 19 HB2 SER 19 -9.185 -3.709 2.244
122 2HB SER 19 HB1 SER 19 -8.342 -2.226 1.799
123 HG SER 19 HG SER 19 -11.095 -2.718 2.018
124 HA PRO 20 HA PRO 20 -12.595 -4.953 -1.707
125 1HB PRO 20 HB2 PRO 20 -13.674 -5.666 0.977
126 2HB PRO 20 HB1 PRO 20 -13.702 -6.589 -0.530
127 1HG PRO 20 HG2 PRO 20 -12.032 -7.258 1.424
128 2HG PRO 20 HG1 PRO 20 -11.514 -7.328 -0.272
129 1HD PRO 20 HD2 PRO 20 -10.892 -5.282 1.820
130 2HD PRO 20 HD1 PRO 20 -9.844 -5.956 0.555
131 H TYR 21 HN TYR 21 -12.226 -2.794 0.932
132 HA TYR 21 HA TYR 21 -14.899 -1.656 0.515
133 1HB TYR 21 HB2 TYR 21 -13.174 -0.520 2.629
134 2HB TYR 21 HB1 TYR 21 -14.881 -0.946 2.675
135 HD1 TYR 21 HD1 TYR 21 -15.109 -3.714 2.293
136 HD2 TYR 21 HD2 TYR 21 -11.942 -1.627 4.221
137 HE1 TYR 21 HE1 TYR 21 -14.560 -5.740 3.570
138 HE2 TYR 21 HE2 TYR 21 -11.386 -3.647 5.507
139 HH TYR 21 HH TYR 21 -12.298 -5.698 6.200
140 H GLY 22 HN GLY 22 -11.556 -1.105 -0.066
141 1HA GLY 22 HA2 GLY 22 -11.029 0.493 -1.841
142 2HA GLY 22 HA1 GLY 22 -12.213 1.574 -1.122
143 H VAL 23 HN VAL 23 -9.971 -0.258 0.828
144 HA VAL 23 HA VAL 23 -8.770 2.253 1.710
145 HB VAL 23 HB VAL 23 -8.534 -0.496 2.938
146 1HG1 VAL 23 HG11 VAL 23 -7.112 0.352 4.439
147 2HG1 VAL 23 HG12 VAL 23 -8.061 1.825 4.633
148 3HG1 VAL 23 HG13 VAL 23 -6.904 1.690 3.309
149 1HG2 VAL 23 HG21 VAL 23 -9.966 1.168 4.643
150 2HG2 VAL 23 HG22 VAL 23 -10.608 -0.158 3.674
151 3HG2 VAL 23 HG23 VAL 23 -10.633 1.489 3.042
152 H TRP 24 HN TRP 24 -6.616 2.695 1.563
153 HA TRP 24 HA TRP 24 -5.094 1.019 -0.272
154 1HB TRP 24 HB2 TRP 24 -4.848 3.846 0.693
155 2HB TRP 24 HB1 TRP 24 -3.460 3.044 -0.035
156 HD1 TRP 24 HD1 TRP 24 -6.450 5.008 -0.938
157 HE1 TRP 24 HE1 TRP 24 -6.831 4.957 -3.484
158 HE3 TRP 24 HE3 TRP 24 -3.248 1.215 -2.164
159 HZ2 TRP 24 HZ2 TRP 24 -5.897 3.500 -5.717
160 HZ3 TRP 24 HZ3 TRP 24 -3.050 0.554 -4.525
161 HH2 TRP 24 HH2 TRP 24 -4.348 1.674 -6.264
162 H TYR 25 HN TYR 25 -4.127 -0.638 0.745
163 HA TYR 25 HA TYR 25 -2.470 0.003 3.095
164 1HB TYR 25 HB2 TYR 25 -2.802 -2.285 3.887
165 2HB TYR 25 HB1 TYR 25 -4.348 -1.467 3.697
166 HD1 TYR 25 HD1 TYR 25 -5.903 -2.140 1.933
167 HD2 TYR 25 HD2 TYR 25 -2.191 -4.149 2.475
168 HE1 TYR 25 HE1 TYR 25 -6.709 -3.995 0.536
169 HE2 TYR 25 HE2 TYR 25 -2.987 -6.008 1.077
170 HH TYR 25 HH TYR 25 -5.370 -6.960 0.461
171 H CYS 26 HN CYS 26 -0.608 -1.606 3.349
172 HA CYS 26 HA CYS 26 0.595 -1.999 0.694
173 1HB CYS 26 HB2 CYS 26 2.072 -1.836 3.320
174 2HB CYS 26 HB1 CYS 26 2.740 -1.710 1.696
175 H SER 27 HN SER 27 1.400 -3.930 0.071
176 HA SER 27 HA SER 27 1.236 -6.155 1.996
177 1HB SER 27 HB2 SER 27 0.209 -5.983 -0.821
178 2HB SER 27 HB1 SER 27 0.699 -7.540 -0.155
179 HG SER 27 HG SER 27 -0.790 -7.162 1.561
180 HA PRO 28 HA PRO 28 5.558 -6.449 0.804
181 1HB PRO 28 HB2 PRO 28 5.506 -8.919 2.406
182 2HB PRO 28 HB1 PRO 28 6.480 -7.463 2.621
183 1HG PRO 28 HG2 PRO 28 4.466 -8.078 4.290
184 2HG PRO 28 HG1 PRO 28 4.856 -6.400 3.868
185 1HD PRO 28 HD2 PRO 28 2.664 -8.156 2.832
186 2HD PRO 28 HD1 PRO 28 2.620 -6.432 3.258
187 H PHE 29 HN PHE 29 6.497 -7.427 -0.897
188 HA PHE 29 HA PHE 29 5.319 -9.957 -1.844
189 1HB PHE 29 HB2 PHE 29 6.056 -9.203 -4.144
190 2HB PHE 29 HB1 PHE 29 4.729 -8.290 -3.435
191 HD1 PHE 29 HD1 PHE 29 8.309 -8.219 -4.282
192 HD2 PHE 29 HD2 PHE 29 4.956 -5.982 -2.916
193 HE1 PHE 29 HE1 PHE 29 9.559 -6.130 -4.645
194 HE2 PHE 29 HE2 PHE 29 6.199 -3.891 -3.276
195 HZ PHE 29 HZ PHE 29 8.503 -3.962 -4.141
196 H SER 30 HN SER 30 6.837 -11.203 -3.294
197 HA SER 30 HA SER 30 8.719 -12.461 -3.476
198 1HB SER 30 HB2 SER 30 9.440 -9.879 -4.037
199 2HB SER 30 HB1 SER 30 10.598 -10.311 -2.780
200 HG SER 30 HG SER 30 11.428 -11.851 -4.044
Start of MODEL 10
1 1H VAL 1 HT1 VAL 1 11.120 3.628 0.483
2 2H VAL 1 HT2 VAL 1 11.247 4.615 1.851
3 3H VAL 1 HT3 VAL 1 10.620 5.243 0.411
4 HA VAL 1 HA VAL 1 9.316 2.939 1.672
5 HB VAL 1 HB VAL 1 7.800 4.567 2.853
6 1HG1 VAL 1 HG11 VAL 1 9.108 4.621 4.806
7 2HG1 VAL 1 HG12 VAL 1 10.615 4.710 3.894
8 3HG1 VAL 1 HG13 VAL 1 9.677 3.216 3.906
9 1HG2 VAL 1 HG21 VAL 1 8.248 6.792 3.023
10 2HG2 VAL 1 HG22 VAL 1 8.955 6.495 1.435
11 3HG2 VAL 1 HG23 VAL 1 9.990 6.567 2.861
12 H ILE 2 HN ILE 2 7.276 2.590 0.844
13 HA ILE 2 HA ILE 2 6.760 3.750 -1.734
14 HB ILE 2 HB ILE 2 4.885 1.931 -0.244
15 1HG1 ILE 2 HG12 ILE 2 7.098 0.909 -0.113
16 2HG1 ILE 2 HG11 ILE 2 6.091 0.023 -1.251
17 1HG2 ILE 2 HG21 ILE 2 5.073 3.000 -2.925
18 2HG2 ILE 2 HG22 ILE 2 3.732 2.176 -2.129
19 3HG2 ILE 2 HG23 ILE 2 4.996 1.238 -2.925
20 1HD1 ILE 2 HD11 ILE 2 8.014 2.133 -2.160
21 2HD1 ILE 2 HD12 ILE 2 7.271 0.836 -3.097
22 3HD1 ILE 2 HD13 ILE 2 8.510 0.461 -1.899
23 H HIS 3 HN HIS 3 5.226 5.200 -2.310
24 HA HIS 3 HA HIS 3 3.521 6.281 -0.162
25 1HB HIS 3 HB2 HIS 3 5.300 7.629 -2.097
26 2HB HIS 3 HB1 HIS 3 3.716 8.369 -1.886
27 HD1 HIS 3 HD1 HIS 3 3.104 8.908 0.726
28 HD2 HIS 3 HD2 HIS 3 7.113 8.347 -0.212
29 HE1 HIS 3 HE1 HIS 3 4.389 9.924 2.633
30 HE2 HIS 3 HE2 HIS 3 6.815 9.599 2.032
31 H CYS 4 HN CYS 4 3.837 5.882 -3.674
32 HA CYS 4 HA CYS 4 2.321 5.542 -5.327
33 1HB CYS 4 HB2 CYS 4 1.424 4.019 -3.117
34 2HB CYS 4 HB1 CYS 4 -0.001 4.756 -3.840
35 H ASP 5 HN ASP 5 -0.216 6.257 -2.990
36 HA ASP 5 HA ASP 5 -1.270 8.319 -4.676
37 1HB ASP 5 HB2 ASP 5 -2.284 6.663 -2.669
38 2HB ASP 5 HB1 ASP 5 -2.378 8.286 -1.994
39 H ALA 6 HN ALA 6 1.288 8.347 -2.658
40 HA ALA 6 HA ALA 6 2.518 9.959 -1.630
41 1HB ALA 6 HB1 ALA 6 2.707 11.402 -3.347
42 2HB ALA 6 HB2 ALA 6 1.627 12.403 -2.376
43 3HB ALA 6 HB3 ALA 6 0.974 11.403 -3.674
44 H ALA 7 HN ALA 7 -0.103 9.014 -0.506
45 HA ALA 7 HA ALA 7 -0.544 11.238 1.379
46 1HB ALA 7 HB1 ALA 7 -2.428 10.183 -0.287
47 2HB ALA 7 HB2 ALA 7 -2.770 11.017 1.228
48 3HB ALA 7 HB3 ALA 7 -2.690 9.256 1.190
49 H THR 8 HN THR 8 -0.533 7.712 0.993
50 HA THR 8 HA THR 8 -0.145 7.429 3.892
51 HB THR 8 HB THR 8 -2.005 6.139 2.710
52 HG1 THR 8 HG1 THR 8 -0.059 5.116 4.438
53 1HG2 THR 8 HG21 THR 8 -0.631 5.486 0.739
54 2HG2 THR 8 HG22 THR 8 -1.413 4.119 1.533
55 3HG2 THR 8 HG23 THR 8 0.305 4.425 1.792
56 H ILE 9 HN ILE 9 1.513 6.044 4.695
57 HA ILE 9 HA ILE 9 3.780 5.759 2.834
58 HB ILE 9 HB ILE 9 3.997 5.894 5.837
59 1HG1 ILE 9 HG12 ILE 9 4.289 8.149 3.836
60 2HG1 ILE 9 HG11 ILE 9 2.974 7.975 4.993
61 1HG2 ILE 9 HG21 ILE 9 6.122 5.387 5.448
62 2HG2 ILE 9 HG22 ILE 9 6.284 6.862 4.495
63 3HG2 ILE 9 HG23 ILE 9 5.820 5.353 3.711
64 1HD1 ILE 9 HD11 ILE 9 5.660 7.959 6.166
65 2HD1 ILE 9 HD12 ILE 9 4.194 8.791 6.684
66 3HD1 ILE 9 HD13 ILE 9 5.184 9.471 5.392
67 H CYS 10 HN CYS 10 4.750 3.818 2.589
68 HA CYS 10 HA CYS 10 3.965 1.616 4.362
69 1HB CYS 10 HB2 CYS 10 3.611 1.788 1.389
70 2HB CYS 10 HB1 CYS 10 3.902 0.224 2.144
71 HA PRO 11 HA PRO 11 8.197 0.383 4.204
72 1HB PRO 11 HB2 PRO 11 8.075 -2.334 3.951
73 2HB PRO 11 HB1 PRO 11 7.742 -1.478 5.459
74 1HG PRO 11 HG2 PRO 11 5.832 -2.580 3.443
75 2HG PRO 11 HG1 PRO 11 5.737 -2.613 5.213
76 1HD PRO 11 HD2 PRO 11 4.327 -0.860 3.710
77 2HD PRO 11 HD1 PRO 11 4.921 -0.463 5.334
78 H ASP 12 HN ASP 12 9.858 -0.011 2.779
79 HA ASP 12 HA ASP 12 9.308 0.201 0.030
80 1HB ASP 12 HB2 ASP 12 11.402 0.949 1.245
81 2HB ASP 12 HB1 ASP 12 11.922 -0.734 1.209
82 H GLY 13 HN GLY 13 9.098 -2.484 2.004
83 1HA GLY 13 HA2 GLY 13 9.757 -4.345 -0.180
84 2HA GLY 13 HA1 GLY 13 9.623 -4.780 1.516
85 H THR 14 HN THR 14 7.250 -2.727 -0.013
86 HA THR 14 HA THR 14 5.410 -4.977 -0.351
87 HB THR 14 HB THR 14 3.596 -3.692 0.818
88 HG1 THR 14 HG1 THR 14 4.369 -2.087 2.330
89 1HG2 THR 14 HG21 THR 14 4.626 -5.576 1.928
90 2HG2 THR 14 HG22 THR 14 4.356 -4.290 3.104
91 3HG2 THR 14 HG23 THR 14 5.973 -4.570 2.460
92 H THR 15 HN THR 15 3.230 -4.088 -1.230
93 HA THR 15 HA THR 15 3.780 -1.918 -3.148
94 HB THR 15 HB THR 15 3.853 -4.090 -4.304
95 HG1 THR 15 HG1 THR 15 2.378 -1.995 -4.948
96 1HG2 THR 15 HG21 THR 15 0.991 -4.622 -4.130
97 2HG2 THR 15 HG22 THR 15 1.822 -4.818 -2.586
98 3HG2 THR 15 HG23 THR 15 2.357 -5.731 -3.998
99 H CYS 16 HN CYS 16 1.837 -0.848 -3.986
100 HA CYS 16 HA CYS 16 0.008 -0.258 -1.868
101 1HB CYS 16 HB2 CYS 16 -0.706 0.696 -4.558
102 2HB CYS 16 HB1 CYS 16 -0.497 1.597 -3.061
103 H SER 17 HN SER 17 -1.605 -1.580 -1.349
104 HA SER 17 HA SER 17 -3.060 -2.923 -3.534
105 1HB SER 17 HB2 SER 17 -1.720 -4.245 -1.655
106 2HB SER 17 HB1 SER 17 -3.205 -3.969 -0.744
107 HG SER 17 HG SER 17 -4.135 -5.446 -1.899
108 H LEU 18 HN LEU 18 -5.226 -2.691 -3.661
109 HA LEU 18 HA LEU 18 -6.466 -0.830 -1.771
110 1HB LEU 18 HB2 LEU 18 -6.804 -1.443 -4.616
111 2HB LEU 18 HB1 LEU 18 -8.318 -1.270 -3.750
112 HG LEU 18 HG LEU 18 -6.123 0.798 -3.888
113 1HD1 LEU 18 HD11 LEU 18 -7.838 0.194 -5.863
114 2HD1 LEU 18 HD12 LEU 18 -7.246 1.826 -5.550
115 3HD1 LEU 18 HD13 LEU 18 -8.824 1.328 -4.940
116 1HD2 LEU 18 HD21 LEU 18 -8.441 0.486 -2.142
117 2HD2 LEU 18 HD22 LEU 18 -8.390 2.037 -2.979
118 3HD2 LEU 18 HD23 LEU 18 -7.029 1.530 -1.978
119 H SER 19 HN SER 19 -7.852 -1.497 -0.295
120 HA SER 19 HA SER 19 -8.633 -4.268 -0.166
121 1HB SER 19 HB2 SER 19 -8.676 -3.835 2.036
122 2HB SER 19 HB1 SER 19 -8.259 -2.159 1.685
123 HG SER 19 HG SER 19 -10.794 -3.309 2.109
124 HA PRO 20 HA PRO 20 -12.725 -4.264 -1.814
125 1HB PRO 20 HB2 PRO 20 -14.270 -5.001 0.404
126 2HB PRO 20 HB1 PRO 20 -13.497 -6.105 -0.739
127 1HG PRO 20 HG2 PRO 20 -12.592 -5.219 1.955
128 2HG PRO 20 HG1 PRO 20 -12.401 -6.793 1.164
129 1HD PRO 20 HD2 PRO 20 -10.360 -5.070 1.376
130 2HD PRO 20 HD1 PRO 20 -10.568 -6.091 -0.059
131 H TYR 21 HN TYR 21 -11.956 -2.295 0.867
132 HA TYR 21 HA TYR 21 -14.388 -0.690 0.436
133 1HB TYR 21 HB2 TYR 21 -12.870 -0.185 2.906
134 2HB TYR 21 HB1 TYR 21 -14.605 -0.352 2.662
135 HD1 TYR 21 HD1 TYR 21 -11.895 -1.744 4.285
136 HD2 TYR 21 HD2 TYR 21 -15.277 -2.904 1.982
137 HE1 TYR 21 HE1 TYR 21 -11.818 -3.977 5.309
138 HE2 TYR 21 HE2 TYR 21 -15.210 -5.140 2.995
139 HH TYR 21 HH TYR 21 -12.751 -6.451 4.402
140 H GLY 22 HN GLY 22 -11.957 -0.550 -1.127
141 1HA GLY 22 HA2 GLY 22 -10.502 1.006 -1.983
142 2HA GLY 22 HA1 GLY 22 -11.639 2.197 -1.369
143 H VAL 23 HN VAL 23 -9.322 -0.079 0.111
144 HA VAL 23 HA VAL 23 -8.278 2.185 1.682
145 HB VAL 23 HB VAL 23 -8.254 -0.732 2.465
146 1HG1 VAL 23 HG11 VAL 23 -7.725 0.279 4.728
147 2HG1 VAL 23 HG12 VAL 23 -7.396 1.784 3.868
148 3HG1 VAL 23 HG13 VAL 23 -6.440 0.344 3.521
149 1HG2 VAL 23 HG21 VAL 23 -10.485 0.737 2.373
150 2HG2 VAL 23 HG22 VAL 23 -9.881 1.240 3.952
151 3HG2 VAL 23 HG23 VAL 23 -10.183 -0.467 3.626
152 H TRP 24 HN TRP 24 -6.248 2.748 1.301
153 HA TRP 24 HA TRP 24 -4.573 1.082 -0.379
154 1HB TRP 24 HB2 TRP 24 -4.210 3.857 0.766
155 2HB TRP 24 HB1 TRP 24 -2.987 3.046 -0.207
156 HD1 TRP 24 HD1 TRP 24 -5.948 5.241 -0.525
157 HE1 TRP 24 HE1 TRP 24 -6.625 5.482 -2.997
158 HE3 TRP 24 HE3 TRP 24 -3.121 1.473 -2.512
159 HZ2 TRP 24 HZ2 TRP 24 -6.036 4.239 -5.464
160 HZ3 TRP 24 HZ3 TRP 24 -3.234 1.064 -4.936
161 HH2 TRP 24 HH2 TRP 24 -4.663 2.419 -6.380
162 H TYR 25 HN TYR 25 -3.950 -0.652 0.871
163 HA TYR 25 HA TYR 25 -2.329 -0.007 3.243
164 1HB TYR 25 HB2 TYR 25 -2.829 -2.234 4.094
165 2HB TYR 25 HB1 TYR 25 -4.319 -1.361 3.759
166 HD1 TYR 25 HD1 TYR 25 -5.771 -2.041 1.906
167 HD2 TYR 25 HD2 TYR 25 -2.209 -4.186 2.815
168 HE1 TYR 25 HE1 TYR 25 -6.557 -3.920 0.530
169 HE2 TYR 25 HE2 TYR 25 -2.985 -6.070 1.439
170 HH TYR 25 HH TYR 25 -4.607 -6.869 0.155
171 H CYS 26 HN CYS 26 -0.512 -1.490 3.671
172 HA CYS 26 HA CYS 26 1.013 -1.881 1.241
173 1HB CYS 26 HB2 CYS 26 2.164 -2.695 3.849
174 2HB CYS 26 HB1 CYS 26 2.872 -1.741 2.550
175 H SER 27 HN SER 27 1.058 -3.726 0.168
176 HA SER 27 HA SER 27 0.438 -6.215 1.610
177 1HB SER 27 HB2 SER 27 -1.219 -6.006 -0.025
178 2HB SER 27 HB1 SER 27 -0.103 -5.322 -1.207
179 HG SER 27 HG SER 27 0.363 -7.922 -0.293
180 HA PRO 28 HA PRO 28 4.758 -7.116 0.735
181 1HB PRO 28 HB2 PRO 28 4.301 -9.602 2.186
182 2HB PRO 28 HB1 PRO 28 5.321 -8.231 2.625
183 1HG PRO 28 HG2 PRO 28 3.042 -8.857 3.957
184 2HG PRO 28 HG1 PRO 28 3.647 -7.197 3.807
185 1HD PRO 28 HD2 PRO 28 1.471 -8.570 2.271
186 2HD PRO 28 HD1 PRO 28 1.523 -6.914 2.918
187 H PHE 29 HN PHE 29 5.514 -8.028 -1.061
188 HA PHE 29 HA PHE 29 3.999 -10.218 -2.284
189 1HB PHE 29 HB2 PHE 29 5.589 -9.591 -4.268
190 2HB PHE 29 HB1 PHE 29 4.202 -8.574 -3.897
191 HD1 PHE 29 HD1 PHE 29 7.828 -8.909 -3.109
192 HD2 PHE 29 HD2 PHE 29 4.507 -6.305 -3.658
193 HE1 PHE 29 HE1 PHE 29 9.319 -6.965 -2.881
194 HE2 PHE 29 HE2 PHE 29 5.992 -4.356 -3.432
195 HZ PHE 29 HZ PHE 29 8.402 -4.685 -3.044
196 H SER 30 HN SER 30 6.550 -9.873 -0.284
197 HA SER 30 HA SER 30 7.584 -12.486 -0.934
198 1HB SER 30 HB2 SER 30 9.119 -10.003 -1.499
199 2HB SER 30 HB1 SER 30 10.001 -11.335 -0.752
200 HG SER 30 HG SER 30 8.434 -12.220 -2.765
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