Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
4942 | 1g26 RC | 4656 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H VAL 1 H VAL 1 -8.322 8.820 -0.729
2 HA VAL 1 HA VAL 1 -6.848 6.936 -0.586
3 HB VAL 1 HB VAL 1 -5.011 7.368 -2.118
4 1HG1 VAL 1 1HG1 VAL 1 -7.063 7.353 -3.294
5 2HG1 VAL 1 2HG1 VAL 1 -6.276 8.834 -3.841
6 3HG1 VAL 1 3HG1 VAL 1 -7.554 8.910 -2.629
7 1HG2 VAL 1 1HG2 VAL 1 -5.057 10.101 -2.633
8 2HG2 VAL 1 2HG2 VAL 1 -3.819 9.250 -1.709
9 3HG2 VAL 1 3HG2 VAL 1 -5.173 10.014 -0.876
10 H VAL 2 H VAL 2 -5.078 6.023 0.570
11 HA VAL 2 HA VAL 2 -3.991 7.753 2.740
12 HB VAL 2 HB VAL 2 -3.917 4.747 2.336
13 1HG1 VAL 2 1HG1 VAL 2 -2.407 6.157 4.042
14 2HG1 VAL 2 2HG1 VAL 2 -3.096 4.596 4.487
15 3HG1 VAL 2 3HG1 VAL 2 -3.883 6.086 5.004
16 1HG2 VAL 2 1HG2 VAL 2 -5.771 5.870 4.325
17 2HG2 VAL 2 2HG2 VAL 2 -6.039 4.599 3.133
18 3HG2 VAL 2 3HG2 VAL 2 -6.181 6.293 2.663
19 H HIS 3 H HIS 3 -2.404 8.790 1.247
20 HA HIS 3 HA HIS 3 -0.486 7.510 -0.347
21 1HB HIS 3 2HB HIS 3 0.916 9.552 0.336
22 2HB HIS 3 1HB HIS 3 -0.684 9.889 -0.324
23 HD1 HIS 3 HD1 HIS 3 -0.894 8.523 3.052
24 HD2 HIS 3 HD2 HIS 3 -0.402 12.315 1.393
25 HE1 HIS 3 HE1 HIS 3 -1.433 10.183 4.887
26 H CYS 4 H CYS 4 0.148 5.507 0.700
27 HA CYS 4 HA CYS 4 1.222 5.280 3.327
28 1HB CYS 4 2HB CYS 4 1.721 3.769 0.743
29 2HB CYS 4 1HB CYS 4 2.260 3.204 2.325
30 H ASP 5 H ASP 5 2.542 6.654 0.437
31 HA ASP 5 HA ASP 5 4.824 7.785 1.725
32 1HB ASP 5 2HB ASP 5 5.124 5.107 1.488
33 2HB ASP 5 1HB ASP 5 5.754 5.606 -0.082
34 H MET 6 H MET 6 6.614 8.106 -0.292
35 HA MET 6 HA MET 6 5.015 9.519 -2.347
36 1HB MET 6 2HB MET 6 7.903 9.457 -1.462
37 2HB MET 6 1HB MET 6 7.405 10.323 -2.917
38 1HG MET 6 2HG MET 6 5.554 11.291 -1.253
39 2HG MET 6 1HG MET 6 6.790 10.913 -0.054
40 1HE MET 6 1HE MET 6 5.959 13.246 0.150
41 2HE MET 6 2HE MET 6 5.912 14.371 -1.204
42 3HE MET 6 3HE MET 6 7.233 14.457 -0.042
43 H GLU 7 H GLU 7 5.752 6.431 -2.137
44 HA GLU 7 HA GLU 7 6.549 6.195 -5.021
45 1HB GLU 7 2HB GLU 7 7.633 5.034 -2.526
46 2HB GLU 7 1HB GLU 7 7.418 3.880 -3.843
47 1HG GLU 7 2HG GLU 7 9.459 4.640 -4.514
48 2HG GLU 7 1HG GLU 7 8.524 5.977 -5.186
49 H VAL 8 H VAL 8 4.069 5.795 -2.892
50 HA VAL 8 HA VAL 8 2.606 3.988 -4.648
51 HB VAL 8 HB VAL 8 4.174 2.502 -3.339
52 1HG1 VAL 8 1HG1 VAL 8 3.883 2.246 -0.976
53 2HG1 VAL 8 2HG1 VAL 8 2.431 3.247 -0.980
54 3HG1 VAL 8 3HG1 VAL 8 4.008 3.981 -1.268
55 1HG2 VAL 8 1HG2 VAL 8 2.574 0.936 -3.608
56 2HG2 VAL 8 2HG2 VAL 8 1.392 2.228 -3.820
57 3HG2 VAL 8 3HG2 VAL 8 1.689 1.560 -2.215
58 H ILE 9 H ILE 9 0.351 3.872 -4.021
59 HA ILE 9 HA ILE 9 -0.469 5.425 -1.617
60 HB ILE 9 HB ILE 9 -0.253 7.007 -3.504
61 1HG1 ILE 9 2HG1 ILE 9 -3.129 6.322 -2.807
62 2HG1 ILE 9 1HG1 ILE 9 -2.060 7.362 -1.866
63 1HG2 ILE 9 1HG2 ILE 9 -1.070 4.846 -5.032
64 2HG2 ILE 9 2HG2 ILE 9 -0.940 6.509 -5.606
65 3HG2 ILE 9 3HG2 ILE 9 -2.491 5.891 -5.038
66 1HD1 ILE 9 1HD1 ILE 9 -3.735 8.463 -3.543
67 2HD1 ILE 9 2HD1 ILE 9 -2.571 7.961 -4.768
68 3HD1 ILE 9 3HD1 ILE 9 -2.077 9.060 -3.480
69 H CYS 10 H CYS 10 -2.072 4.266 -0.624
70 HA CYS 10 HA CYS 10 -3.837 2.544 -2.334
71 1HB CYS 10 2HB CYS 10 -2.452 2.020 0.306
72 2HB CYS 10 1HB CYS 10 -3.774 1.010 -0.281
73 HA PRO 11 HA PRO 11 -6.987 4.839 -0.250
74 1HB PRO 11 2HB PRO 11 -9.128 3.333 -1.047
75 2HB PRO 11 1HB PRO 11 -8.305 4.490 -2.111
76 1HG PRO 11 2HG PRO 11 -8.084 1.536 -2.002
77 2HG PRO 11 1HG PRO 11 -8.027 2.622 -3.395
78 1HD PRO 11 2HD PRO 11 -5.817 1.473 -2.237
79 2HD PRO 11 1HD PRO 11 -5.786 2.976 -3.184
80 H ASP 12 H ASP 12 -8.340 4.594 1.588
81 HA ASP 12 HA ASP 12 -7.627 3.095 3.741
82 1HB ASP 12 2HB ASP 12 -10.207 3.165 4.244
83 2HB ASP 12 1HB ASP 12 -9.325 4.680 4.056
84 H GLY 13 H GLY 13 -9.932 1.973 1.264
85 1HA GLY 13 2HA GLY 13 -10.546 -0.524 2.478
86 2HA GLY 13 1HA GLY 13 -10.730 -0.169 0.765
87 H TYR 14 H TYR 14 -7.519 0.409 1.315
88 HA TYR 14 HA TYR 14 -6.834 -2.461 0.770
89 1HB TYR 14 2HB TYR 14 -5.877 0.130 -0.461
90 2HB TYR 14 1HB TYR 14 -5.045 -1.407 -0.713
91 HD1 TYR 14 HD1 TYR 14 -5.686 -2.717 -2.529
92 HD2 TYR 14 HD2 TYR 14 -8.519 0.010 -0.796
93 HE1 TYR 14 HE1 TYR 14 -7.345 -3.341 -4.264
94 HE2 TYR 14 HE2 TYR 14 -10.179 -0.616 -2.532
95 HH TYR 14 HH TYR 14 -9.624 -1.830 -5.253
96 H THR 15 H THR 15 -4.752 -3.165 1.494
97 HA THR 15 HA THR 15 -3.645 -1.554 3.760
98 HB THR 15 HB THR 15 -3.016 -3.678 4.681
99 HG1 THR 15 HG1 THR 15 -2.671 -5.385 3.470
100 1HG2 THR 15 1HG2 THR 15 -5.442 -3.204 4.774
101 2HG2 THR 15 2HG2 THR 15 -5.127 -4.936 4.669
102 3HG2 THR 15 3HG2 THR 15 -5.658 -4.049 3.241
103 H CYS 16 H CYS 16 -1.488 -0.926 3.671
104 HA CYS 16 HA CYS 16 -0.039 -1.386 1.132
105 1HB CYS 16 2HB CYS 16 0.050 0.464 3.470
106 2HB CYS 16 1HB CYS 16 1.561 0.204 2.599
107 H CYS 17 H CYS 17 1.890 -2.553 0.995
108 HA CYS 17 HA CYS 17 2.959 -3.763 3.517
109 1HB CYS 17 2HB CYS 17 1.424 -5.033 1.530
110 2HB CYS 17 1HB CYS 17 3.084 -5.541 1.221
111 HG CYS 17 HG CYS 17 1.463 -6.172 3.788
112 H ARG 18 H ARG 18 5.233 -4.170 3.437
113 HA ARG 18 HA ARG 18 6.647 -2.771 1.208
114 1HB ARG 18 2HB ARG 18 6.836 -2.854 4.059
115 2HB ARG 18 1HB ARG 18 8.334 -3.514 3.402
116 1HG ARG 18 2HG ARG 18 7.686 -1.269 1.804
117 2HG ARG 18 1HG ARG 18 7.467 -0.769 3.482
118 1HD ARG 18 2HD ARG 18 9.895 -2.382 3.065
119 2HD ARG 18 1HD ARG 18 9.903 -0.837 2.189
120 HE ARG 18 HE ARG 18 8.987 -0.723 4.995
121 1HH1 ARG 18 1HH2 ARG 18 11.995 -1.462 4.252
122 2HH1 ARG 18 2HH2 ARG 18 12.726 0.080 4.552
123 1HH2 ARG 18 2HH1 ARG 18 9.705 1.777 4.702
124 2HH2 ARG 18 1HH1 ARG 18 11.428 1.914 4.808
125 H LEU 19 H LEU 19 7.822 -3.990 -0.231
126 HA LEU 19 HA LEU 19 7.852 -6.876 -0.088
127 1HB LEU 19 2HB LEU 19 8.514 -4.723 -1.887
128 2HB LEU 19 1HB LEU 19 9.822 -5.906 -1.888
129 HG LEU 19 HG LEU 19 7.551 -7.491 -1.912
130 1HD1 LEU 19 1HD1 LEU 19 5.831 -6.424 -2.901
131 2HD1 LEU 19 2HD1 LEU 19 6.876 -5.838 -4.194
132 3HD1 LEU 19 3HD1 LEU 19 6.724 -4.916 -2.698
133 1HD2 LEU 19 1HD2 LEU 19 8.557 -8.307 -3.785
134 2HD2 LEU 19 2HD2 LEU 19 9.832 -7.149 -3.405
135 3HD2 LEU 19 3HD2 LEU 19 8.578 -6.729 -4.572
136 HA PRO 20 HA PRO 20 11.597 -7.629 2.066
137 1HB PRO 20 2HB PRO 20 12.740 -9.652 0.622
138 2HB PRO 20 1HB PRO 20 11.296 -9.880 1.628
139 1HG PRO 20 2HG PRO 20 11.520 -9.571 -1.318
140 2HG PRO 20 1HG PRO 20 10.414 -10.574 -0.366
141 1HD PRO 20 2HD PRO 20 9.727 -8.180 -1.526
142 2HD PRO 20 1HD PRO 20 8.900 -8.889 -0.123
143 H SER 21 H SER 21 11.644 -6.142 -0.902
144 HA SER 21 HA SER 21 14.633 -5.869 -0.860
145 1HB SER 21 2HB SER 21 12.863 -6.794 -2.857
146 2HB SER 21 1HB SER 21 13.380 -5.193 -3.379
147 HG SER 21 HG SER 21 14.794 -7.538 -3.154
148 H GLY 22 H GLY 22 12.627 -4.217 0.588
149 1HA GLY 22 2HA GLY 22 12.358 -1.926 1.039
150 2HA GLY 22 1HA GLY 22 13.629 -1.615 -0.144
151 H ALA 23 H ALA 23 10.722 -3.414 -0.949
152 HA ALA 23 HA ALA 23 9.962 -1.191 -2.805
153 1HB ALA 23 1HB ALA 23 8.581 -3.455 -3.557
154 2HB ALA 23 2HB ALA 23 10.061 -4.134 -2.880
155 3HB ALA 23 3HB ALA 23 10.149 -2.976 -4.209
156 H TRP 24 H TRP 24 7.389 -1.631 -3.322
157 HA TRP 24 HA TRP 24 5.958 -1.884 -0.707
158 1HB TRP 24 2HB TRP 24 6.209 0.427 -2.580
159 2HB TRP 24 1HB TRP 24 4.637 0.172 -1.821
160 HD1 TRP 24 HD1 TRP 24 7.878 1.761 -1.210
161 HE1 TRP 24 HE1 TRP 24 8.153 2.379 1.277
162 HE3 TRP 24 HE3 TRP 24 4.015 -0.912 0.796
163 HZ2 TRP 24 HZ2 TRP 24 6.902 1.815 3.786
164 HZ3 TRP 24 HZ3 TRP 24 3.581 -0.855 3.236
165 HH2 TRP 24 HH2 TRP 24 5.017 0.504 4.732
166 H GLY 25 H GLY 25 3.811 -2.650 -0.921
167 1HA GLY 25 2HA GLY 25 2.775 -3.154 -3.657
168 2HA GLY 25 1HA GLY 25 2.977 -4.539 -2.583
169 H CYS 26 H CYS 26 0.445 -3.589 -3.633
170 HA CYS 26 HA CYS 26 -0.861 -2.648 -1.099
171 1HB CYS 26 2HB CYS 26 -0.776 -1.272 -3.344
172 2HB CYS 26 1HB CYS 26 -2.052 -2.382 -3.846
173 H CYS 27 H CYS 27 -2.465 -3.955 -0.272
174 HA CYS 27 HA CYS 27 -3.606 -6.095 -2.016
175 1HB CYS 27 2HB CYS 27 -1.732 -6.345 0.174
176 2HB CYS 27 1HB CYS 27 -3.238 -7.174 0.569
177 HG CYS 27 HG CYS 27 -1.289 -7.974 -1.682
178 HA PRO 28 HA PRO 28 -7.178 -4.382 0.035
179 1HB PRO 28 2HB PRO 28 -9.031 -5.957 -1.216
180 2HB PRO 28 1HB PRO 28 -8.272 -4.554 -1.994
181 1HG PRO 28 2HG PRO 28 -7.670 -7.449 -2.310
182 2HG PRO 28 1HG PRO 28 -7.670 -6.156 -3.519
183 1HD PRO 28 2HD PRO 28 -5.406 -7.175 -2.373
184 2HD PRO 28 1HD PRO 28 -5.530 -5.529 -3.035
185 H PHE 29 H PHE 29 -8.935 -5.297 1.453
186 HA PHE 29 HA PHE 29 -8.131 -7.945 2.618
187 1HB PHE 29 2HB PHE 29 -8.022 -5.439 3.745
188 2HB PHE 29 1HB PHE 29 -9.600 -6.004 4.291
189 HD1 PHE 29 HD1 PHE 29 -9.779 -7.566 6.054
190 HD2 PHE 29 HD2 PHE 29 -6.002 -6.990 4.092
191 HE1 PHE 29 HE1 PHE 29 -8.678 -8.999 7.752
192 HE2 PHE 29 HE2 PHE 29 -4.901 -8.423 5.790
193 HZ PHE 29 HZ PHE 29 -6.239 -9.427 7.621
194 H THR 30 H THR 30 -10.020 -7.839 0.509
195 HA THR 30 HA THR 30 -12.666 -8.091 1.884
196 HB THR 30 HB THR 30 -13.368 -8.093 -0.635
197 HG1 THR 30 HG1 THR 30 -11.818 -7.794 -2.005
198 1HG2 THR 30 1HG2 THR 30 -14.005 -6.089 0.196
199 2HG2 THR 30 2HG2 THR 30 -12.518 -5.463 -0.517
200 3HG2 THR 30 3HG2 THR 30 -12.547 -5.945 1.179
201 H GLN 31 H GLN 31 -12.125 -10.255 2.732
202 HA GLN 31 HA GLN 31 -11.966 -12.380 0.622
203 1HB GLN 31 2HB GLN 31 -11.307 -12.568 3.574
204 2HB GLN 31 1HB GLN 31 -10.829 -13.684 2.293
205 1HG GLN 31 2HG GLN 31 -9.870 -11.251 1.383
206 2HG GLN 31 1HG GLN 31 -9.586 -11.164 3.122
207 1HE2 GLN 31 1HE2 GLN 31 -7.705 -12.182 3.837
208 2HE2 GLN 31 2HE2 GLN 31 -6.862 -13.379 2.978
Start of MODEL 2
1 H VAL 1 H VAL 1 -7.800 10.653 -0.326
2 HA VAL 1 HA VAL 1 -7.593 8.268 -0.097
3 HB VAL 1 HB VAL 1 -4.928 8.360 -1.473
4 1HG1 VAL 1 1HG1 VAL 1 -7.080 6.502 -2.284
5 2HG1 VAL 1 2HG1 VAL 1 -6.559 6.352 -0.606
6 3HG1 VAL 1 3HG1 VAL 1 -5.388 6.172 -1.913
7 1HG2 VAL 1 1HG2 VAL 1 -6.444 8.144 -3.645
8 2HG2 VAL 1 2HG2 VAL 1 -5.949 9.729 -3.053
9 3HG2 VAL 1 3HG2 VAL 1 -7.563 9.117 -2.691
10 H VAL 2 H VAL 2 -5.184 6.908 0.523
11 HA VAL 2 HA VAL 2 -4.269 8.457 2.923
12 HB VAL 2 HB VAL 2 -3.931 6.221 3.912
13 1HG1 VAL 2 1HG1 VAL 2 -6.130 7.156 4.214
14 2HG1 VAL 2 2HG1 VAL 2 -6.343 5.453 3.809
15 3HG1 VAL 2 3HG1 VAL 2 -6.613 6.691 2.584
16 1HG2 VAL 2 1HG2 VAL 2 -3.686 4.406 2.598
17 2HG2 VAL 2 2HG2 VAL 2 -3.900 5.438 1.184
18 3HG2 VAL 2 3HG2 VAL 2 -5.295 4.650 1.920
19 H HIS 3 H HIS 3 -2.597 9.458 1.475
20 HA HIS 3 HA HIS 3 -0.668 8.264 -0.093
21 1HB HIS 3 2HB HIS 3 -0.887 10.575 1.704
22 2HB HIS 3 1HB HIS 3 0.775 10.036 1.472
23 HD1 HIS 3 HD1 HIS 3 0.827 9.183 -1.409
24 HD2 HIS 3 HD2 HIS 3 -1.215 12.595 -0.153
25 HE1 HIS 3 HE1 HIS 3 0.598 10.672 -3.445
26 H CYS 4 H CYS 4 0.759 6.606 0.251
27 HA CYS 4 HA CYS 4 1.353 5.797 3.061
28 1HB CYS 4 2HB CYS 4 0.649 4.463 0.678
29 2HB CYS 4 1HB CYS 4 2.340 4.052 0.966
30 H ASP 5 H ASP 5 2.939 6.592 -0.028
31 HA ASP 5 HA ASP 5 5.400 7.301 1.491
32 1HB ASP 5 2HB ASP 5 5.326 5.473 -0.931
33 2HB ASP 5 1HB ASP 5 6.758 5.925 -0.007
34 H MET 6 H MET 6 7.038 7.915 -0.638
35 HA MET 6 HA MET 6 6.069 10.437 -1.548
36 1HB MET 6 2HB MET 6 8.450 9.579 -1.324
37 2HB MET 6 1HB MET 6 8.187 8.680 -2.819
38 1HG MET 6 2HG MET 6 7.345 11.453 -3.086
39 2HG MET 6 1HG MET 6 9.040 11.335 -2.615
40 1HE MET 6 1HE MET 6 10.729 9.222 -5.165
41 2HE MET 6 2HE MET 6 9.654 8.245 -4.170
42 3HE MET 6 3HE MET 6 10.517 9.603 -3.451
43 H GLU 7 H GLU 7 6.428 7.346 -3.330
44 HA GLU 7 HA GLU 7 4.386 8.358 -5.283
45 1HB GLU 7 2HB GLU 7 5.703 7.267 -7.018
46 2HB GLU 7 1HB GLU 7 6.775 8.307 -6.079
47 1HG GLU 7 2HG GLU 7 6.684 5.761 -4.790
48 2HG GLU 7 1HG GLU 7 6.986 5.487 -6.506
49 H VAL 8 H VAL 8 3.224 7.035 -3.315
50 HA VAL 8 HA VAL 8 2.329 4.533 -4.510
51 HB VAL 8 HB VAL 8 4.534 4.629 -2.595
52 1HG1 VAL 8 1HG1 VAL 8 3.748 2.630 -1.273
53 2HG1 VAL 8 2HG1 VAL 8 2.126 2.921 -1.906
54 3HG1 VAL 8 3HG1 VAL 8 2.903 4.129 -0.882
55 1HG2 VAL 8 1HG2 VAL 8 3.539 3.051 -4.785
56 2HG2 VAL 8 2HG2 VAL 8 3.939 1.989 -3.435
57 3HG2 VAL 8 3HG2 VAL 8 5.161 3.077 -4.092
58 H ILE 9 H ILE 9 0.161 4.635 -4.068
59 HA ILE 9 HA ILE 9 -0.690 5.567 -1.343
60 HB ILE 9 HB ILE 9 -1.830 6.230 -4.076
61 1HG1 ILE 9 2HG1 ILE 9 -1.185 8.466 -2.362
62 2HG1 ILE 9 1HG1 ILE 9 0.225 7.419 -2.536
63 1HG2 ILE 9 1HG2 ILE 9 -2.769 7.085 -1.321
64 2HG2 ILE 9 2HG2 ILE 9 -3.590 5.913 -2.353
65 3HG2 ILE 9 3HG2 ILE 9 -3.461 7.598 -2.860
66 1HD1 ILE 9 1HD1 ILE 9 0.566 8.404 -4.537
67 2HD1 ILE 9 2HD1 ILE 9 -1.017 9.180 -4.499
68 3HD1 ILE 9 3HD1 ILE 9 -0.857 7.532 -5.106
69 H CYS 10 H CYS 10 -2.878 4.759 -0.752
70 HA CYS 10 HA CYS 10 -3.750 2.325 -2.264
71 1HB CYS 10 2HB CYS 10 -2.296 2.345 0.109
72 2HB CYS 10 1HB CYS 10 -3.960 2.138 0.654
73 HA PRO 11 HA PRO 11 -7.622 4.386 -1.724
74 1HB PRO 11 2HB PRO 11 -9.252 2.351 -2.556
75 2HB PRO 11 1HB PRO 11 -8.306 3.365 -3.664
76 1HG PRO 11 2HG PRO 11 -7.752 0.628 -2.670
77 2HG PRO 11 1HG PRO 11 -7.460 1.324 -4.266
78 1HD PRO 11 2HD PRO 11 -5.511 0.956 -2.384
79 2HD PRO 11 1HD PRO 11 -5.440 2.197 -3.655
80 H ASP 12 H ASP 12 -6.667 3.666 0.712
81 HA ASP 12 HA ASP 12 -7.321 3.062 2.893
82 1HB ASP 12 2HB ASP 12 -9.082 4.609 2.421
83 2HB ASP 12 1HB ASP 12 -9.924 3.441 1.403
84 H GLY 13 H GLY 13 -9.994 1.449 1.205
85 1HA GLY 13 2HA GLY 13 -10.244 -0.836 2.659
86 2HA GLY 13 1HA GLY 13 -10.426 -0.864 0.907
87 H TYR 14 H TYR 14 -7.549 -0.136 0.512
88 HA TYR 14 HA TYR 14 -6.486 -2.887 0.774
89 1HB TYR 14 2HB TYR 14 -5.660 -0.354 -0.662
90 2HB TYR 14 1HB TYR 14 -4.680 -1.822 -0.690
91 HD1 TYR 14 HD1 TYR 14 -5.083 -3.414 -2.348
92 HD2 TYR 14 HD2 TYR 14 -8.210 -0.690 -1.230
93 HE1 TYR 14 HE1 TYR 14 -6.533 -4.349 -4.130
94 HE2 TYR 14 HE2 TYR 14 -9.663 -1.628 -3.011
95 HH TYR 14 HH TYR 14 -9.465 -2.840 -5.092
96 H THR 15 H THR 15 -4.243 -3.186 1.565
97 HA THR 15 HA THR 15 -3.525 -1.200 3.698
98 HB THR 15 HB THR 15 -4.297 -3.189 4.744
99 HG1 THR 15 HG1 THR 15 -2.206 -4.245 5.334
100 1HG2 THR 15 1HG2 THR 15 -3.163 -5.428 3.922
101 2HG2 THR 15 2HG2 THR 15 -2.942 -4.520 2.426
102 3HG2 THR 15 3HG2 THR 15 -4.564 -4.777 3.071
103 H CYS 16 H CYS 16 -1.316 -0.659 3.869
104 HA CYS 16 HA CYS 16 0.320 -1.099 1.482
105 1HB CYS 16 2HB CYS 16 0.292 0.547 3.941
106 2HB CYS 16 1HB CYS 16 1.900 0.163 3.326
107 H CYS 17 H CYS 17 2.117 -2.447 1.324
108 HA CYS 17 HA CYS 17 3.122 -3.825 3.759
109 1HB CYS 17 2HB CYS 17 1.272 -4.913 1.844
110 2HB CYS 17 1HB CYS 17 2.797 -5.789 1.722
111 HG CYS 17 HG CYS 17 1.171 -5.527 4.385
112 H ARG 18 H ARG 18 5.315 -3.513 3.602
113 HA ARG 18 HA ARG 18 6.650 -2.899 1.103
114 1HB ARG 18 2HB ARG 18 7.232 -3.177 3.979
115 2HB ARG 18 1HB ARG 18 8.592 -3.584 2.934
116 1HG ARG 18 2HG ARG 18 7.419 -1.248 1.842
117 2HG ARG 18 1HG ARG 18 7.539 -0.981 3.581
118 1HD ARG 18 2HD ARG 18 9.953 -1.751 3.449
119 2HD ARG 18 1HD ARG 18 9.790 -1.718 1.682
120 HE ARG 18 HE ARG 18 9.223 0.696 3.365
121 1HH1 ARG 18 1HH2 ARG 18 9.329 -0.364 0.218
122 2HH1 ARG 18 2HH2 ARG 18 10.431 0.842 -0.356
123 1HH2 ARG 18 2HH1 ARG 18 11.180 2.042 2.810
124 2HH2 ARG 18 1HH1 ARG 18 11.479 2.205 1.112
125 H LEU 19 H LEU 19 8.100 -4.262 -0.078
126 HA LEU 19 HA LEU 19 7.495 -7.148 0.115
127 1HB LEU 19 2HB LEU 19 8.348 -5.189 -1.851
128 2HB LEU 19 1HB LEU 19 9.374 -6.624 -1.912
129 HG LEU 19 HG LEU 19 6.869 -7.727 -1.645
130 1HD1 LEU 19 1HD1 LEU 19 5.284 -6.274 -2.312
131 2HD1 LEU 19 2HD1 LEU 19 6.117 -6.085 -3.855
132 3HD1 LEU 19 3HD1 LEU 19 6.510 -5.020 -2.505
133 1HD2 LEU 19 1HD2 LEU 19 7.229 -7.595 -4.385
134 2HD2 LEU 19 2HD2 LEU 19 7.987 -8.779 -3.319
135 3HD2 LEU 19 3HD2 LEU 19 8.858 -7.313 -3.769
136 HA PRO 20 HA PRO 20 11.293 -8.390 1.930
137 1HB PRO 20 2HB PRO 20 12.060 -10.526 0.403
138 2HB PRO 20 1HB PRO 20 10.690 -10.588 1.528
139 1HG PRO 20 2HG PRO 20 10.696 -10.258 -1.427
140 2HG PRO 20 1HG PRO 20 9.583 -11.168 -0.395
141 1HD PRO 20 2HD PRO 20 9.010 -8.712 -1.452
142 2HD PRO 20 1HD PRO 20 8.294 -9.332 0.052
143 H SER 21 H SER 21 11.230 -7.062 -1.158
144 HA SER 21 HA SER 21 14.211 -7.146 -1.435
145 1HB SER 21 2HB SER 21 11.877 -6.814 -3.310
146 2HB SER 21 1HB SER 21 13.479 -6.262 -3.791
147 HG SER 21 HG SER 21 14.091 -8.269 -3.996
148 H GLY 22 H GLY 22 12.508 -5.358 0.340
149 1HA GLY 22 2HA GLY 22 12.616 -3.120 1.040
150 2HA GLY 22 1HA GLY 22 13.956 -2.915 -0.088
151 H ALA 23 H ALA 23 10.486 -3.689 -0.551
152 HA ALA 23 HA ALA 23 10.264 -1.227 -2.240
153 1HB ALA 23 1HB ALA 23 8.988 -3.830 -3.038
154 2HB ALA 23 2HB ALA 23 10.693 -3.555 -3.394
155 3HB ALA 23 3HB ALA 23 9.468 -2.474 -4.057
156 H TRP 24 H TRP 24 7.685 -1.284 -2.953
157 HA TRP 24 HA TRP 24 6.169 -1.640 -0.385
158 1HB TRP 24 2HB TRP 24 6.455 0.561 -2.359
159 2HB TRP 24 1HB TRP 24 4.828 0.295 -1.734
160 HD1 TRP 24 HD1 TRP 24 7.654 2.323 -0.995
161 HE1 TRP 24 HE1 TRP 24 7.785 2.970 1.497
162 HE3 TRP 24 HE3 TRP 24 4.398 -1.083 0.970
163 HZ2 TRP 24 HZ2 TRP 24 6.654 2.151 3.995
164 HZ3 TRP 24 HZ3 TRP 24 3.942 -1.127 3.406
165 HH2 TRP 24 HH2 TRP 24 5.064 0.484 4.919
166 H GLY 25 H GLY 25 4.034 -2.458 -0.578
167 1HA GLY 25 2HA GLY 25 2.948 -3.041 -3.257
168 2HA GLY 25 1HA GLY 25 3.341 -4.451 -2.271
169 H CYS 26 H CYS 26 0.787 -2.651 -3.138
170 HA CYS 26 HA CYS 26 -0.499 -2.529 -0.456
171 1HB CYS 26 2HB CYS 26 -0.699 -1.192 -3.042
172 2HB CYS 26 1HB CYS 26 -2.282 -1.704 -2.456
173 H CYS 27 H CYS 27 -1.917 -4.123 0.175
174 HA CYS 27 HA CYS 27 -2.978 -5.967 -1.946
175 1HB CYS 27 2HB CYS 27 -1.868 -6.512 0.821
176 2HB CYS 27 1HB CYS 27 -2.731 -7.723 -0.127
177 HG CYS 27 HG CYS 27 0.015 -7.632 -0.483
178 HA PRO 28 HA PRO 28 -6.935 -5.135 -0.224
179 1HB PRO 28 2HB PRO 28 -8.232 -7.448 -0.902
180 2HB PRO 28 1HB PRO 28 -7.815 -6.193 -2.087
181 1HG PRO 28 2HG PRO 28 -6.453 -8.775 -1.503
182 2HG PRO 28 1HG PRO 28 -6.721 -7.964 -3.054
183 1HD PRO 28 2HD PRO 28 -4.340 -7.927 -1.716
184 2HD PRO 28 1HD PRO 28 -4.864 -6.648 -2.834
185 H PHE 29 H PHE 29 -8.228 -5.699 1.627
186 HA PHE 29 HA PHE 29 -7.067 -7.876 3.339
187 1HB PHE 29 2HB PHE 29 -6.987 -5.185 3.761
188 2HB PHE 29 1HB PHE 29 -8.493 -5.595 4.584
189 HD1 PHE 29 HD1 PHE 29 -5.259 -7.443 4.149
190 HD2 PHE 29 HD2 PHE 29 -8.102 -5.744 6.883
191 HE1 PHE 29 HE1 PHE 29 -3.966 -8.355 6.058
192 HE2 PHE 29 HE2 PHE 29 -6.810 -6.657 8.793
193 HZ PHE 29 HZ PHE 29 -4.742 -7.962 8.381
194 H THR 30 H THR 30 -8.571 -9.130 4.542
195 HA THR 30 HA THR 30 -11.474 -8.644 3.995
196 HB THR 30 HB THR 30 -10.509 -11.448 4.023
197 HG1 THR 30 HG1 THR 30 -9.787 -9.569 2.036
198 1HG2 THR 30 1HG2 THR 30 -12.413 -11.748 2.845
199 2HG2 THR 30 2HG2 THR 30 -12.007 -10.457 1.715
200 3HG2 THR 30 3HG2 THR 30 -12.790 -10.073 3.248
201 H GLN 31 H GLN 31 -11.401 -7.861 6.282
202 HA GLN 31 HA GLN 31 -11.487 -10.155 8.207
203 1HB GLN 31 2HB GLN 31 -9.525 -8.162 8.016
204 2HB GLN 31 1HB GLN 31 -10.552 -7.643 9.353
205 1HG GLN 31 2HG GLN 31 -9.041 -9.051 10.443
206 2HG GLN 31 1HG GLN 31 -10.375 -10.154 10.100
207 1HE2 GLN 31 1HE2 GLN 31 -7.387 -8.952 8.450
208 2HE2 GLN 31 2HE2 GLN 31 -6.982 -10.458 7.780
Start of MODEL 3
1 H VAL 1 H VAL 1 -4.821 9.659 -1.077
2 HA VAL 1 HA VAL 1 -6.531 9.876 0.729
3 HB VAL 1 HB VAL 1 -6.676 6.911 0.107
4 1HG1 VAL 1 1HG1 VAL 1 -8.803 7.597 1.774
5 2HG1 VAL 1 2HG1 VAL 1 -7.416 8.413 2.497
6 3HG1 VAL 1 3HG1 VAL 1 -7.379 6.669 2.241
7 1HG2 VAL 1 1HG2 VAL 1 -7.936 9.157 -1.027
8 2HG2 VAL 1 2HG2 VAL 1 -9.145 8.435 0.034
9 3HG2 VAL 1 3HG2 VAL 1 -8.400 7.469 -1.239
10 H VAL 2 H VAL 2 -4.910 6.699 1.016
11 HA VAL 2 HA VAL 2 -3.593 7.663 3.506
12 HB VAL 2 HB VAL 2 -3.764 4.893 2.277
13 1HG1 VAL 2 1HG1 VAL 2 -2.630 6.040 4.752
14 2HG1 VAL 2 2HG1 VAL 2 -2.238 4.528 3.930
15 3HG1 VAL 2 3HG1 VAL 2 -3.638 4.614 4.999
16 1HG2 VAL 2 1HG2 VAL 2 -5.460 5.267 4.564
17 2HG2 VAL 2 2HG2 VAL 2 -5.921 4.817 2.922
18 3HG2 VAL 2 3HG2 VAL 2 -5.830 6.517 3.376
19 H HIS 3 H HIS 3 -2.151 8.999 1.960
20 HA HIS 3 HA HIS 3 -0.349 8.046 0.083
21 1HB HIS 3 2HB HIS 3 -0.312 10.129 2.228
22 2HB HIS 3 1HB HIS 3 1.192 9.814 1.361
23 HD1 HIS 3 HD1 HIS 3 0.855 9.800 -1.395
24 HD2 HIS 3 HD2 HIS 3 -1.973 11.867 0.866
25 HE1 HIS 3 HE1 HIS 3 -0.323 11.377 -2.988
26 H CYS 4 H CYS 4 0.705 6.081 0.316
27 HA CYS 4 HA CYS 4 1.917 5.325 2.908
28 1HB CYS 4 2HB CYS 4 0.640 3.843 1.194
29 2HB CYS 4 1HB CYS 4 2.136 3.883 0.262
30 H ASP 5 H ASP 5 2.837 6.630 -0.202
31 HA ASP 5 HA ASP 5 5.580 7.116 0.772
32 1HB ASP 5 2HB ASP 5 5.228 4.743 -0.331
33 2HB ASP 5 1HB ASP 5 5.260 5.659 -1.839
34 H MET 6 H MET 6 6.293 7.370 -2.218
35 HA MET 6 HA MET 6 5.455 10.161 -2.498
36 1HB MET 6 2HB MET 6 6.932 8.317 -4.402
37 2HB MET 6 1HB MET 6 6.953 10.080 -4.420
38 1HG MET 6 2HG MET 6 7.856 9.928 -2.017
39 2HG MET 6 1HG MET 6 8.146 8.222 -2.359
40 1HE MET 6 1HE MET 6 10.863 7.935 -4.751
41 2HE MET 6 2HE MET 6 9.220 8.011 -5.384
42 3HE MET 6 3HE MET 6 9.523 7.247 -3.825
43 H GLU 7 H GLU 7 4.978 7.177 -4.423
44 HA GLU 7 HA GLU 7 2.529 8.452 -5.605
45 1HB GLU 7 2HB GLU 7 4.856 6.966 -6.725
46 2HB GLU 7 1HB GLU 7 3.285 6.634 -7.454
47 1HG GLU 7 2HG GLU 7 3.053 8.778 -8.274
48 2HG GLU 7 1HG GLU 7 4.014 9.491 -6.978
49 H VAL 8 H VAL 8 3.607 6.061 -3.546
50 HA VAL 8 HA VAL 8 1.692 3.967 -4.379
51 HB VAL 8 HB VAL 8 3.543 4.217 -1.984
52 1HG1 VAL 8 1HG1 VAL 8 2.741 1.595 -3.134
53 2HG1 VAL 8 2HG1 VAL 8 1.493 2.478 -2.254
54 3HG1 VAL 8 3HG1 VAL 8 3.004 2.054 -1.451
55 1HG2 VAL 8 1HG2 VAL 8 4.065 2.563 -4.447
56 2HG2 VAL 8 2HG2 VAL 8 5.215 3.162 -3.251
57 3HG2 VAL 8 3HG2 VAL 8 4.501 4.272 -4.422
58 H ILE 9 H ILE 9 -0.189 5.559 -4.014
59 HA ILE 9 HA ILE 9 -0.863 5.770 -1.101
60 HB ILE 9 HB ILE 9 -2.080 7.731 -1.671
61 1HG1 ILE 9 2HG1 ILE 9 -1.846 6.847 -4.567
62 2HG1 ILE 9 1HG1 ILE 9 -3.312 6.790 -3.587
63 1HG2 ILE 9 1HG2 ILE 9 -0.478 9.089 -2.955
64 2HG2 ILE 9 2HG2 ILE 9 0.302 7.622 -3.548
65 3HG2 ILE 9 3HG2 ILE 9 0.372 8.025 -1.832
66 1HD1 ILE 9 1HD1 ILE 9 -2.193 9.022 -5.047
67 2HD1 ILE 9 2HD1 ILE 9 -2.335 9.419 -3.334
68 3HD1 ILE 9 3HD1 ILE 9 -3.755 8.898 -4.239
69 H CYS 10 H CYS 10 -2.500 4.461 -0.406
70 HA CYS 10 HA CYS 10 -4.266 3.185 -2.462
71 1HB CYS 10 2HB CYS 10 -2.886 2.358 0.013
72 2HB CYS 10 1HB CYS 10 -4.544 1.775 -0.116
73 HA PRO 11 HA PRO 11 -7.685 5.209 -0.572
74 1HB PRO 11 2HB PRO 11 -9.704 3.514 -1.283
75 2HB PRO 11 1HB PRO 11 -8.888 4.587 -2.435
76 1HG PRO 11 2HG PRO 11 -8.625 1.678 -2.062
77 2HG PRO 11 1HG PRO 11 -8.393 2.659 -3.512
78 1HD PRO 11 2HD PRO 11 -6.370 1.608 -1.870
79 2HD PRO 11 1HD PRO 11 -6.172 2.833 -3.139
80 H ASP 12 H ASP 12 -6.200 3.554 1.293
81 HA ASP 12 HA ASP 12 -6.521 2.712 3.478
82 1HB ASP 12 2HB ASP 12 -8.706 4.357 2.814
83 2HB ASP 12 1HB ASP 12 -9.418 2.903 3.513
84 H GLY 13 H GLY 13 -9.368 1.732 1.524
85 1HA GLY 13 2HA GLY 13 -9.911 -0.733 2.640
86 2HA GLY 13 1HA GLY 13 -10.078 -0.430 0.911
87 H TYR 14 H TYR 14 -7.091 0.114 0.755
88 HA TYR 14 HA TYR 14 -6.306 -2.737 0.452
89 1HB TYR 14 2HB TYR 14 -5.214 -0.075 -0.487
90 2HB TYR 14 1HB TYR 14 -4.393 -1.603 -0.800
91 HD1 TYR 14 HD1 TYR 14 -5.059 -2.993 -2.580
92 HD2 TYR 14 HD2 TYR 14 -7.641 0.175 -1.258
93 HE1 TYR 14 HE1 TYR 14 -6.555 -3.402 -4.519
94 HE2 TYR 14 HE2 TYR 14 -9.138 -0.233 -3.196
95 HH TYR 14 HH TYR 14 -9.671 -1.848 -4.797
96 H THR 15 H THR 15 -4.071 -3.350 1.121
97 HA THR 15 HA THR 15 -3.248 -1.941 3.635
98 HB THR 15 HB THR 15 -3.988 -4.144 4.147
99 HG1 THR 15 HG1 THR 15 -1.952 -3.737 5.023
100 1HG2 THR 15 1HG2 THR 15 -2.585 -4.875 1.584
101 2HG2 THR 15 2HG2 THR 15 -4.261 -5.168 2.049
102 3HG2 THR 15 3HG2 THR 15 -2.963 -6.103 2.791
103 H CYS 16 H CYS 16 -1.221 -1.073 3.630
104 HA CYS 16 HA CYS 16 0.466 -1.388 1.225
105 1HB CYS 16 2HB CYS 16 -0.234 0.737 2.649
106 2HB CYS 16 1HB CYS 16 1.147 0.262 3.636
107 H CYS 17 H CYS 17 1.590 -3.351 1.366
108 HA CYS 17 HA CYS 17 3.109 -3.874 3.897
109 1HB CYS 17 2HB CYS 17 1.555 -5.470 2.000
110 2HB CYS 17 1HB CYS 17 3.153 -6.156 2.293
111 HG CYS 17 HG CYS 17 2.502 -5.909 4.941
112 H ARG 18 H ARG 18 5.349 -3.974 3.757
113 HA ARG 18 HA ARG 18 6.575 -3.234 1.162
114 1HB ARG 18 2HB ARG 18 7.118 -2.970 4.022
115 2HB ARG 18 1HB ARG 18 8.546 -3.485 3.124
116 1HG ARG 18 2HG ARG 18 7.558 -1.548 1.466
117 2HG ARG 18 1HG ARG 18 7.105 -0.908 3.045
118 1HD ARG 18 2HD ARG 18 9.897 -1.736 2.175
119 2HD ARG 18 1HD ARG 18 9.339 -0.087 2.521
120 HE ARG 18 HE ARG 18 8.995 -0.789 4.876
121 1HH1 ARG 18 1HH2 ARG 18 11.540 -2.039 3.085
122 2HH1 ARG 18 2HH2 ARG 18 11.969 -3.272 4.222
123 1HH2 ARG 18 2HH1 ARG 18 9.191 -2.760 6.231
124 2HH2 ARG 18 1HH1 ARG 18 10.641 -3.679 6.003
125 H LEU 19 H LEU 19 7.672 -4.702 -0.086
126 HA LEU 19 HA LEU 19 7.611 -7.520 0.501
127 1HB LEU 19 2HB LEU 19 8.218 -5.724 -1.630
128 2HB LEU 19 1HB LEU 19 9.597 -6.808 -1.449
129 HG LEU 19 HG LEU 19 7.375 -8.481 -1.182
130 1HD1 LEU 19 1HD1 LEU 19 6.153 -7.958 -3.348
131 2HD1 LEU 19 2HD1 LEU 19 6.951 -6.385 -3.328
132 3HD1 LEU 19 3HD1 LEU 19 5.845 -6.830 -2.029
133 1HD2 LEU 19 1HD2 LEU 19 9.709 -8.330 -2.654
134 2HD2 LEU 19 2HD2 LEU 19 8.469 -8.255 -3.905
135 3HD2 LEU 19 3HD2 LEU 19 8.513 -9.619 -2.787
136 HA PRO 20 HA PRO 20 11.337 -8.133 2.738
137 1HB PRO 20 2HB PRO 20 12.407 -10.354 1.541
138 2HB PRO 20 1HB PRO 20 10.980 -10.416 2.595
139 1HG PRO 20 2HG PRO 20 11.130 -10.408 -0.384
140 2HG PRO 20 1HG PRO 20 10.082 -11.351 0.690
141 1HD PRO 20 2HD PRO 20 9.222 -9.145 -0.624
142 2HD PRO 20 1HD PRO 20 8.587 -9.627 0.966
143 H SER 21 H SER 21 11.370 -7.255 -0.519
144 HA SER 21 HA SER 21 14.347 -7.110 -0.662
145 1HB SER 21 2HB SER 21 12.171 -7.581 -2.482
146 2HB SER 21 1HB SER 21 13.060 -6.158 -3.016
147 HG SER 21 HG SER 21 14.339 -8.559 -2.231
148 H GLY 22 H GLY 22 12.549 -5.311 0.995
149 1HA GLY 22 2HA GLY 22 12.535 -3.031 1.561
150 2HA GLY 22 1HA GLY 22 13.877 -2.826 0.436
151 H ALA 23 H ALA 23 10.849 -4.206 -0.638
152 HA ALA 23 HA ALA 23 10.407 -1.751 -2.295
153 1HB ALA 23 1HB ALA 23 9.083 -4.366 -2.855
154 2HB ALA 23 2HB ALA 23 10.831 -4.285 -3.082
155 3HB ALA 23 3HB ALA 23 9.774 -3.196 -3.981
156 H TRP 24 H TRP 24 7.995 -1.435 -2.839
157 HA TRP 24 HA TRP 24 6.372 -1.816 -0.346
158 1HB TRP 24 2HB TRP 24 6.823 0.352 -2.311
159 2HB TRP 24 1HB TRP 24 5.143 0.137 -1.822
160 HD1 TRP 24 HD1 TRP 24 8.052 2.001 -0.836
161 HE1 TRP 24 HE1 TRP 24 7.953 2.704 1.643
162 HE3 TRP 24 HE3 TRP 24 4.320 -1.075 0.807
163 HZ2 TRP 24 HZ2 TRP 24 6.485 2.049 4.009
164 HZ3 TRP 24 HZ3 TRP 24 3.591 -1.014 3.175
165 HH2 TRP 24 HH2 TRP 24 4.669 0.543 4.776
166 H GLY 25 H GLY 25 4.167 -2.515 -0.611
167 1HA GLY 25 2HA GLY 25 3.229 -3.171 -3.332
168 2HA GLY 25 1HA GLY 25 3.476 -4.544 -2.255
169 H CYS 26 H CYS 26 1.264 -2.177 -3.230
170 HA CYS 26 HA CYS 26 -0.339 -2.283 -0.727
171 1HB CYS 26 2HB CYS 26 0.155 -0.366 -2.646
172 2HB CYS 26 1HB CYS 26 -1.420 -0.982 -3.147
173 H CYS 27 H CYS 27 -1.663 -4.055 -0.510
174 HA CYS 27 HA CYS 27 -3.039 -5.058 -2.988
175 1HB CYS 27 2HB CYS 27 -2.735 -7.333 -1.994
176 2HB CYS 27 1HB CYS 27 -1.199 -6.535 -2.330
177 HG CYS 27 HG CYS 27 -0.971 -5.990 0.216
178 HA PRO 28 HA PRO 28 -6.722 -4.667 -0.626
179 1HB PRO 28 2HB PRO 28 -8.276 -6.551 -1.860
180 2HB PRO 28 1HB PRO 28 -7.867 -4.997 -2.611
181 1HG PRO 28 2HG PRO 28 -6.688 -7.688 -3.072
182 2HG PRO 28 1HG PRO 28 -7.034 -6.394 -4.229
183 1HD PRO 28 2HD PRO 28 -4.538 -6.923 -3.253
184 2HD PRO 28 1HD PRO 28 -5.058 -5.320 -3.820
185 H PHE 29 H PHE 29 -7.815 -5.728 1.119
186 HA PHE 29 HA PHE 29 -7.125 -8.568 1.679
187 1HB PHE 29 2HB PHE 29 -5.359 -7.080 2.632
188 2HB PHE 29 1HB PHE 29 -6.601 -6.254 3.572
189 HD1 PHE 29 HD1 PHE 29 -4.890 -9.506 3.042
190 HD2 PHE 29 HD2 PHE 29 -7.511 -7.223 5.564
191 HE1 PHE 29 HE1 PHE 29 -4.708 -11.244 4.802
192 HE2 PHE 29 HE2 PHE 29 -7.331 -8.960 7.324
193 HZ PHE 29 HZ PHE 29 -5.930 -10.971 6.943
194 H THR 30 H THR 30 -9.628 -8.022 0.980
195 HA THR 30 HA THR 30 -11.151 -7.589 3.529
196 HB THR 30 HB THR 30 -11.418 -5.935 1.651
197 HG1 THR 30 HG1 THR 30 -13.818 -6.384 1.533
198 1HG2 THR 30 1HG2 THR 30 -12.151 -6.551 -0.452
199 2HG2 THR 30 2HG2 THR 30 -12.963 -8.001 0.141
200 3HG2 THR 30 3HG2 THR 30 -11.208 -7.980 -0.031
201 H GLN 31 H GLN 31 -10.528 -10.042 3.715
202 HA GLN 31 HA GLN 31 -12.878 -11.616 3.032
203 1HB GLN 31 2HB GLN 31 -11.683 -13.163 1.504
204 2HB GLN 31 1HB GLN 31 -11.711 -11.522 0.857
205 1HG GLN 31 2HG GLN 31 -9.467 -11.768 0.641
206 2HG GLN 31 1HG GLN 31 -9.416 -11.508 2.385
207 1HE2 GLN 31 1HE2 GLN 31 -7.707 -12.987 2.877
208 2HE2 GLN 31 2HE2 GLN 31 -7.835 -14.660 2.625
Start of MODEL 4
1 H VAL 1 H VAL 1 -7.140 9.524 2.121
2 HA VAL 1 HA VAL 1 -7.043 7.276 0.722
3 HB VAL 1 HB VAL 1 -5.155 7.448 -0.927
4 1HG1 VAL 1 1HG1 VAL 1 -7.676 9.030 -1.069
5 2HG1 VAL 1 2HG1 VAL 1 -7.131 7.689 -2.079
6 3HG1 VAL 1 3HG1 VAL 1 -6.483 9.310 -2.339
7 1HG2 VAL 1 1HG2 VAL 1 -5.169 10.250 0.160
8 2HG2 VAL 1 2HG2 VAL 1 -4.678 9.968 -1.511
9 3HG2 VAL 1 3HG2 VAL 1 -3.795 9.201 -0.191
10 H VAL 2 H VAL 2 -4.761 6.017 0.770
11 HA VAL 2 HA VAL 2 -3.511 6.713 3.400
12 HB VAL 2 HB VAL 2 -3.542 4.092 1.871
13 1HG1 VAL 2 1HG1 VAL 2 -1.777 4.429 3.628
14 2HG1 VAL 2 2HG1 VAL 2 -2.897 3.114 3.988
15 3HG1 VAL 2 3HG1 VAL 2 -3.068 4.668 4.806
16 1HG2 VAL 2 1HG2 VAL 2 -5.291 3.542 3.706
17 2HG2 VAL 2 2HG2 VAL 2 -5.823 4.514 2.333
18 3HG2 VAL 2 3HG2 VAL 2 -5.457 5.291 3.873
19 H HIS 3 H HIS 3 -1.756 8.030 2.799
20 HA HIS 3 HA HIS 3 -0.069 7.378 0.490
21 1HB HIS 3 2HB HIS 3 -0.257 9.459 2.633
22 2HB HIS 3 1HB HIS 3 1.279 9.285 1.785
23 HD1 HIS 3 HD1 HIS 3 1.248 9.679 -0.831
24 HD2 HIS 3 HD2 HIS 3 -2.320 10.614 1.112
25 HE1 HIS 3 HE1 HIS 3 -0.124 11.042 -2.468
26 H CYS 4 H CYS 4 0.751 5.247 1.059
27 HA CYS 4 HA CYS 4 2.237 4.896 3.573
28 1HB CYS 4 2HB CYS 4 1.583 3.239 1.133
29 2HB CYS 4 1HB CYS 4 2.695 2.644 2.367
30 H ASP 5 H ASP 5 2.986 6.531 0.822
31 HA ASP 5 HA ASP 5 5.852 6.426 1.328
32 1HB ASP 5 2HB ASP 5 4.871 4.355 -0.144
33 2HB ASP 5 1HB ASP 5 5.230 5.515 -1.423
34 H MET 6 H MET 6 6.823 7.386 -1.060
35 HA MET 6 HA MET 6 5.444 10.012 -1.259
36 1HB MET 6 2HB MET 6 8.124 9.018 -2.276
37 2HB MET 6 1HB MET 6 7.596 10.698 -2.234
38 1HG MET 6 2HG MET 6 7.348 10.498 0.254
39 2HG MET 6 1HG MET 6 8.044 8.881 0.151
40 1HE MET 6 1HE MET 6 10.027 8.538 0.914
41 2HE MET 6 2HE MET 6 11.553 9.323 0.515
42 3HE MET 6 3HE MET 6 10.674 8.439 -0.730
43 H GLU 7 H GLU 7 6.200 7.161 -3.189
44 HA GLU 7 HA GLU 7 5.107 8.522 -5.623
45 1HB GLU 7 2HB GLU 7 6.894 6.134 -5.123
46 2HB GLU 7 1HB GLU 7 6.202 6.466 -6.712
47 1HG GLU 7 2HG GLU 7 7.361 8.872 -5.576
48 2HG GLU 7 1HG GLU 7 8.554 7.573 -5.643
49 H VAL 8 H VAL 8 4.925 5.405 -3.848
50 HA VAL 8 HA VAL 8 2.469 4.691 -5.333
51 HB VAL 8 HB VAL 8 4.601 3.282 -4.449
52 1HG1 VAL 8 1HG1 VAL 8 3.688 3.801 -2.044
53 2HG1 VAL 8 2HG1 VAL 8 4.272 2.180 -2.418
54 3HG1 VAL 8 3HG1 VAL 8 2.540 2.513 -2.403
55 1HG2 VAL 8 1HG2 VAL 8 2.910 2.433 -5.984
56 2HG2 VAL 8 2HG2 VAL 8 1.746 2.288 -4.666
57 3HG2 VAL 8 3HG2 VAL 8 3.173 1.253 -4.701
58 H ILE 9 H ILE 9 0.410 4.773 -4.448
59 HA ILE 9 HA ILE 9 0.063 5.215 -1.533
60 HB ILE 9 HB ILE 9 -1.015 7.330 -1.819
61 1HG1 ILE 9 2HG1 ILE 9 -0.962 6.642 -4.770
62 2HG1 ILE 9 1HG1 ILE 9 -2.377 6.909 -3.750
63 1HG2 ILE 9 1HG2 ILE 9 0.714 8.692 -2.848
64 2HG2 ILE 9 2HG2 ILE 9 1.311 7.307 -3.764
65 3HG2 ILE 9 3HG2 ILE 9 1.483 7.344 -2.010
66 1HD1 ILE 9 1HD1 ILE 9 -2.322 9.062 -4.426
67 2HD1 ILE 9 2HD1 ILE 9 -0.735 8.856 -5.166
68 3HD1 ILE 9 3HD1 ILE 9 -0.864 9.240 -3.450
69 H CYS 10 H CYS 10 -1.751 4.113 -0.878
70 HA CYS 10 HA CYS 10 -3.793 3.398 -2.960
71 1HB CYS 10 2HB CYS 10 -2.451 1.867 -0.737
72 2HB CYS 10 1HB CYS 10 -4.030 1.354 -1.336
73 HA PRO 11 HA PRO 11 -6.697 5.066 -0.111
74 1HB PRO 11 2HB PRO 11 -8.953 3.693 -0.820
75 2HB PRO 11 1HB PRO 11 -8.234 4.969 -1.820
76 1HG PRO 11 2HG PRO 11 -8.239 2.065 -2.212
77 2HG PRO 11 1HG PRO 11 -8.031 3.363 -3.388
78 1HD PRO 11 2HD PRO 11 -6.001 1.733 -2.251
79 2HD PRO 11 1HD PRO 11 -5.788 3.133 -3.324
80 H ASP 12 H ASP 12 -8.415 4.337 1.577
81 HA ASP 12 HA ASP 12 -7.214 2.554 3.456
82 1HB ASP 12 2HB ASP 12 -9.140 4.486 3.440
83 2HB ASP 12 1HB ASP 12 -10.131 3.036 3.606
84 H GLY 13 H GLY 13 -9.327 1.926 0.764
85 1HA GLY 13 2HA GLY 13 -10.523 -0.501 1.747
86 2HA GLY 13 1HA GLY 13 -10.400 -0.040 0.051
87 H TYR 14 H TYR 14 -7.306 0.175 1.067
88 HA TYR 14 HA TYR 14 -6.752 -2.740 0.629
89 1HB TYR 14 2HB TYR 14 -5.500 -0.295 -0.647
90 2HB TYR 14 1HB TYR 14 -4.853 -1.927 -0.817
91 HD1 TYR 14 HD1 TYR 14 -6.022 -3.624 -2.117
92 HD2 TYR 14 HD2 TYR 14 -7.630 0.328 -1.652
93 HE1 TYR 14 HE1 TYR 14 -7.626 -4.064 -3.958
94 HE2 TYR 14 HE2 TYR 14 -9.236 -0.108 -3.496
95 HH TYR 14 HH TYR 14 -10.204 -1.814 -4.724
96 H THR 15 H THR 15 -4.318 -3.145 1.091
97 HA THR 15 HA THR 15 -3.421 -1.517 3.444
98 HB THR 15 HB THR 15 -2.990 -3.530 4.631
99 HG1 THR 15 HG1 THR 15 -2.959 -4.596 2.058
100 1HG2 THR 15 1HG2 THR 15 -5.321 -4.681 3.249
101 2HG2 THR 15 2HG2 THR 15 -5.525 -2.996 3.728
102 3HG2 THR 15 3HG2 THR 15 -5.131 -4.216 4.940
103 H CYS 16 H CYS 16 -1.473 -0.617 2.920
104 HA CYS 16 HA CYS 16 0.133 -1.659 0.699
105 1HB CYS 16 2HB CYS 16 1.493 0.338 1.210
106 2HB CYS 16 1HB CYS 16 -0.221 0.750 1.154
107 H CYS 17 H CYS 17 1.678 -3.198 0.953
108 HA CYS 17 HA CYS 17 2.917 -3.546 3.665
109 1HB CYS 17 2HB CYS 17 1.795 -5.371 1.612
110 2HB CYS 17 1HB CYS 17 3.294 -5.915 2.367
111 HG CYS 17 HG CYS 17 1.108 -6.622 3.789
112 H ARG 18 H ARG 18 5.099 -3.139 3.705
113 HA ARG 18 HA ARG 18 6.529 -2.550 1.211
114 1HB ARG 18 2HB ARG 18 6.604 -1.709 3.836
115 2HB ARG 18 1HB ARG 18 8.026 -2.749 3.740
116 1HG ARG 18 2HG ARG 18 8.040 -1.250 1.360
117 2HG ARG 18 1HG ARG 18 7.629 -0.100 2.633
118 1HD ARG 18 2HD ARG 18 9.626 -1.456 3.877
119 2HD ARG 18 1HD ARG 18 10.160 -1.590 2.189
120 HE ARG 18 HE ARG 18 9.349 1.061 3.310
121 1HH1 ARG 18 1HH2 ARG 18 12.149 0.520 3.965
122 2HH1 ARG 18 2HH2 ARG 18 13.005 1.083 2.569
123 1HH2 ARG 18 2HH1 ARG 18 10.196 1.119 0.534
124 2HH2 ARG 18 1HH1 ARG 18 11.899 1.422 0.625
125 H LEU 19 H LEU 19 7.585 -4.106 0.058
126 HA LEU 19 HA LEU 19 7.877 -6.829 0.954
127 1HB LEU 19 2HB LEU 19 8.191 -5.226 -1.386
128 2HB LEU 19 1HB LEU 19 9.680 -6.146 -1.170
129 HG LEU 19 HG LEU 19 7.873 -8.087 -0.647
130 1HD1 LEU 19 1HD1 LEU 19 6.279 -5.992 -1.583
131 2HD1 LEU 19 2HD1 LEU 19 5.810 -7.688 -1.472
132 3HD1 LEU 19 3HD1 LEU 19 6.467 -7.050 -2.980
133 1HD2 LEU 19 1HD2 LEU 19 9.757 -8.032 -2.338
134 2HD2 LEU 19 2HD2 LEU 19 8.636 -7.268 -3.465
135 3HD2 LEU 19 3HD2 LEU 19 8.320 -8.900 -2.877
136 HA PRO 20 HA PRO 20 11.784 -6.791 2.948
137 1HB PRO 20 2HB PRO 20 13.061 -8.966 1.885
138 2HB PRO 20 1HB PRO 20 11.694 -9.103 3.011
139 1HG PRO 20 2HG PRO 20 11.743 -9.379 0.048
140 2HG PRO 20 1HG PRO 20 10.820 -10.290 1.252
141 1HD PRO 20 2HD PRO 20 9.757 -8.292 -0.275
142 2HD PRO 20 1HD PRO 20 9.142 -8.740 1.331
143 H SER 21 H SER 21 11.733 -6.665 -0.537
144 HA SER 21 HA SER 21 14.602 -5.870 -0.658
145 1HB SER 21 2HB SER 21 12.668 -6.116 -2.959
146 2HB SER 21 1HB SER 21 14.413 -6.354 -2.964
147 HG SER 21 HG SER 21 13.688 -8.377 -2.871
148 H GLY 22 H GLY 22 12.501 -4.128 0.559
149 1HA GLY 22 2HA GLY 22 12.013 -1.832 0.558
150 2HA GLY 22 1HA GLY 22 13.250 -1.648 -0.688
151 H ALA 23 H ALA 23 10.284 -3.615 -0.818
152 HA ALA 23 HA ALA 23 9.456 -1.988 -3.198
153 1HB ALA 23 1HB ALA 23 9.550 -4.023 -4.183
154 2HB ALA 23 2HB ALA 23 8.142 -4.463 -3.216
155 3HB ALA 23 3HB ALA 23 9.764 -4.826 -2.627
156 H TRP 24 H TRP 24 6.876 -2.654 -3.497
157 HA TRP 24 HA TRP 24 5.522 -2.276 -0.858
158 1HB TRP 24 2HB TRP 24 5.669 -0.477 -3.233
159 2HB TRP 24 1HB TRP 24 4.118 -0.581 -2.401
160 HD1 TRP 24 HD1 TRP 24 7.158 1.351 -2.328
161 HE1 TRP 24 HE1 TRP 24 7.515 2.497 -0.047
162 HE3 TRP 24 HE3 TRP 24 3.783 -1.241 0.497
163 HZ2 TRP 24 HZ2 TRP 24 6.503 2.335 2.625
164 HZ3 TRP 24 HZ3 TRP 24 3.500 -0.724 2.906
165 HH2 TRP 24 HH2 TRP 24 4.855 1.058 3.971
166 H GLY 25 H GLY 25 3.389 -3.120 -0.823
167 1HA GLY 25 2HA GLY 25 2.323 -4.272 -3.347
168 2HA GLY 25 1HA GLY 25 2.564 -5.358 -1.977
169 H CYS 26 H CYS 26 0.323 -3.360 -3.464
170 HA CYS 26 HA CYS 26 -1.128 -2.660 -0.973
171 1HB CYS 26 2HB CYS 26 -1.187 -1.975 -3.875
172 2HB CYS 26 1HB CYS 26 -2.714 -1.849 -2.997
173 H CYS 27 H CYS 27 -2.164 -4.458 -0.125
174 HA CYS 27 HA CYS 27 -3.784 -6.118 -2.030
175 1HB CYS 27 2HB CYS 27 -2.458 -6.816 0.612
176 2HB CYS 27 1HB CYS 27 -3.399 -7.935 -0.376
177 HG CYS 27 HG CYS 27 -1.273 -8.369 -1.569
178 HA PRO 28 HA PRO 28 -7.240 -4.620 0.278
179 1HB PRO 28 2HB PRO 28 -9.090 -6.432 -0.600
180 2HB PRO 28 1HB PRO 28 -8.510 -5.081 -1.595
181 1HG PRO 28 2HG PRO 28 -7.731 -7.952 -1.663
182 2HG PRO 28 1HG PRO 28 -7.949 -6.808 -2.996
183 1HD PRO 28 2HD PRO 28 -5.510 -7.538 -2.009
184 2HD PRO 28 1HD PRO 28 -5.828 -5.981 -2.805
185 H PHE 29 H PHE 29 -8.350 -5.188 2.202
186 HA PHE 29 HA PHE 29 -7.226 -7.351 3.773
187 1HB PHE 29 2HB PHE 29 -8.306 -4.983 4.338
188 2HB PHE 29 1HB PHE 29 -9.779 -5.944 4.466
189 HD1 PHE 29 HD1 PHE 29 -10.277 -6.909 6.526
190 HD2 PHE 29 HD2 PHE 29 -6.179 -6.084 5.536
191 HE1 PHE 29 HE1 PHE 29 -9.577 -7.687 8.775
192 HE2 PHE 29 HE2 PHE 29 -5.480 -6.861 7.786
193 HZ PHE 29 HZ PHE 29 -7.178 -7.661 9.404
194 H THR 30 H THR 30 -7.784 -9.449 3.266
195 HA THR 30 HA THR 30 -10.701 -10.052 2.920
196 HB THR 30 HB THR 30 -9.727 -10.072 0.727
197 HG1 THR 30 HG1 THR 30 -9.646 -12.719 1.745
198 1HG2 THR 30 1HG2 THR 30 -7.511 -11.802 1.854
199 2HG2 THR 30 2HG2 THR 30 -7.362 -10.070 1.556
200 3HG2 THR 30 3HG2 THR 30 -7.629 -11.178 0.209
201 H GLN 31 H GLN 31 -9.921 -10.423 5.386
202 HA GLN 31 HA GLN 31 -8.778 -13.170 5.667
203 1HB GLN 31 2HB GLN 31 -8.886 -10.654 7.247
204 2HB GLN 31 1HB GLN 31 -8.953 -12.151 8.178
205 1HG GLN 31 2HG GLN 31 -6.668 -11.970 8.027
206 2HG GLN 31 1HG GLN 31 -6.956 -12.795 6.494
207 1HE2 GLN 31 1HE2 GLN 31 -4.689 -11.308 6.476
208 2HE2 GLN 31 2HE2 GLN 31 -4.899 -9.845 5.644
Start of MODEL 5
1 H VAL 1 H VAL 1 -7.709 9.091 0.000
2 HA VAL 1 HA VAL 1 -6.934 6.419 -0.699
3 HB VAL 1 HB VAL 1 -4.837 7.175 -1.992
4 1HG1 VAL 1 1HG1 VAL 1 -6.095 6.271 -3.629
5 2HG1 VAL 1 2HG1 VAL 1 -6.746 7.881 -3.942
6 3HG1 VAL 1 3HG1 VAL 1 -7.582 6.790 -2.835
7 1HG2 VAL 1 1HG2 VAL 1 -4.989 9.563 -1.414
8 2HG2 VAL 1 2HG2 VAL 1 -6.550 9.670 -2.228
9 3HG2 VAL 1 3HG2 VAL 1 -5.090 9.350 -3.162
10 H VAL 2 H VAL 2 -4.606 5.985 0.114
11 HA VAL 2 HA VAL 2 -3.975 7.838 2.391
12 HB VAL 2 HB VAL 2 -4.979 5.789 3.179
13 1HG1 VAL 2 1HG1 VAL 2 -3.519 3.637 2.496
14 2HG1 VAL 2 2HG1 VAL 2 -3.273 4.611 1.046
15 3HG1 VAL 2 3HG1 VAL 2 -4.907 4.176 1.550
16 1HG2 VAL 2 1HG2 VAL 2 -2.371 4.754 3.761
17 2HG2 VAL 2 2HG2 VAL 2 -3.427 5.703 4.808
18 3HG2 VAL 2 3HG2 VAL 2 -2.278 6.515 3.745
19 H HIS 3 H HIS 3 -2.348 8.920 1.083
20 HA HIS 3 HA HIS 3 -0.299 7.650 -0.416
21 1HB HIS 3 2HB HIS 3 0.854 9.835 -0.073
22 2HB HIS 3 1HB HIS 3 -0.845 10.039 -0.496
23 HD1 HIS 3 HD1 HIS 3 -0.900 8.883 2.861
24 HD2 HIS 3 HD2 HIS 3 -0.037 12.567 1.111
25 HE1 HIS 3 HE1 HIS 3 -1.133 10.618 4.691
26 H CYS 4 H CYS 4 0.266 5.775 1.007
27 HA CYS 4 HA CYS 4 1.319 5.931 3.620
28 1HB CYS 4 2HB CYS 4 0.928 4.026 1.676
29 2HB CYS 4 1HB CYS 4 2.689 4.099 1.751
30 H ASP 5 H ASP 5 2.772 6.795 0.539
31 HA ASP 5 HA ASP 5 5.079 7.979 1.994
32 1HB ASP 5 2HB ASP 5 5.061 5.562 0.339
33 2HB ASP 5 1HB ASP 5 6.235 6.751 -0.222
34 H MET 6 H MET 6 6.564 8.716 -0.263
35 HA MET 6 HA MET 6 4.714 10.680 -1.528
36 1HB MET 6 2HB MET 6 7.108 10.945 -0.293
37 2HB MET 6 1HB MET 6 7.657 10.730 -1.957
38 1HG MET 6 2HG MET 6 6.694 12.694 -2.677
39 2HG MET 6 1HG MET 6 5.390 12.611 -1.493
40 1HE MET 6 1HE MET 6 8.080 14.224 -2.755
41 2HE MET 6 2HE MET 6 9.396 13.503 -1.831
42 3HE MET 6 3HE MET 6 8.905 15.163 -1.503
43 H GLU 7 H GLU 7 5.367 7.667 -2.304
44 HA GLU 7 HA GLU 7 5.656 8.269 -5.223
45 1HB GLU 7 2HB GLU 7 7.203 6.349 -5.372
46 2HB GLU 7 1HB GLU 7 7.815 7.553 -4.237
47 1HG GLU 7 2HG GLU 7 6.988 6.265 -2.348
48 2HG GLU 7 1HG GLU 7 6.213 5.108 -3.432
49 H VAL 8 H VAL 8 4.510 6.060 -2.692
50 HA VAL 8 HA VAL 8 2.765 4.735 -4.742
51 HB VAL 8 HB VAL 8 4.535 3.372 -3.580
52 1HG1 VAL 8 1HG1 VAL 8 3.265 2.956 -1.090
53 2HG1 VAL 8 2HG1 VAL 8 3.368 4.704 -1.297
54 3HG1 VAL 8 3HG1 VAL 8 4.829 3.720 -1.375
55 1HG2 VAL 8 1HG2 VAL 8 2.907 1.571 -2.814
56 2HG2 VAL 8 2HG2 VAL 8 2.616 2.198 -4.436
57 3HG2 VAL 8 3HG2 VAL 8 1.612 2.736 -3.090
58 H ILE 9 H ILE 9 0.598 4.086 -3.904
59 HA ILE 9 HA ILE 9 -0.374 5.416 -1.453
60 HB ILE 9 HB ILE 9 -0.301 7.156 -3.256
61 1HG1 ILE 9 2HG1 ILE 9 -3.009 6.224 -2.265
62 2HG1 ILE 9 1HG1 ILE 9 -1.967 7.449 -1.542
63 1HG2 ILE 9 1HG2 ILE 9 -2.592 5.981 -4.685
64 2HG2 ILE 9 2HG2 ILE 9 -1.086 5.087 -4.893
65 3HG2 ILE 9 3HG2 ILE 9 -1.166 6.795 -5.327
66 1HD1 ILE 9 1HD1 ILE 9 -3.931 7.745 -3.652
67 2HD1 ILE 9 2HD1 ILE 9 -2.342 8.277 -4.202
68 3HD1 ILE 9 3HD1 ILE 9 -3.062 8.994 -2.761
69 H CYS 10 H CYS 10 -2.058 4.199 -0.616
70 HA CYS 10 HA CYS 10 -3.244 2.103 -2.396
71 1HB CYS 10 2HB CYS 10 -3.147 2.307 0.630
72 2HB CYS 10 1HB CYS 10 -3.625 0.895 -0.308
73 HA PRO 11 HA PRO 11 -7.035 4.324 -1.971
74 1HB PRO 11 2HB PRO 11 -8.733 2.428 -2.958
75 2HB PRO 11 1HB PRO 11 -7.644 3.382 -3.982
76 1HG PRO 11 2HG PRO 11 -7.435 0.573 -3.117
77 2HG PRO 11 1HG PRO 11 -6.827 1.354 -4.579
78 1HD PRO 11 2HD PRO 11 -5.319 0.670 -2.316
79 2HD PRO 11 1HD PRO 11 -4.809 1.736 -3.643
80 H ASP 12 H ASP 12 -6.104 2.939 0.451
81 HA ASP 12 HA ASP 12 -7.029 2.386 2.554
82 1HB ASP 12 2HB ASP 12 -8.811 4.015 1.248
83 2HB ASP 12 1HB ASP 12 -9.809 2.601 1.587
84 H GLY 13 H GLY 13 -9.224 1.118 0.011
85 1HA GLY 13 2HA GLY 13 -10.184 -1.161 1.202
86 2HA GLY 13 1HA GLY 13 -9.744 -1.129 -0.506
87 H TYR 14 H TYR 14 -6.890 -0.646 0.064
88 HA TYR 14 HA TYR 14 -6.181 -3.447 0.825
89 1HB TYR 14 2HB TYR 14 -4.637 -1.272 -0.625
90 2HB TYR 14 1HB TYR 14 -4.139 -2.956 -0.458
91 HD1 TYR 14 HD1 TYR 14 -6.813 -0.757 -1.829
92 HD2 TYR 14 HD2 TYR 14 -4.948 -4.624 -1.935
93 HE1 TYR 14 HE1 TYR 14 -8.152 -1.348 -3.835
94 HE2 TYR 14 HE2 TYR 14 -6.285 -5.216 -3.940
95 HH TYR 14 HH TYR 14 -8.701 -4.305 -4.868
96 H THR 15 H THR 15 -3.914 -3.560 1.891
97 HA THR 15 HA THR 15 -3.748 -1.471 4.037
98 HB THR 15 HB THR 15 -2.983 -3.292 5.461
99 HG1 THR 15 HG1 THR 15 -1.795 -4.586 4.232
100 1HG2 THR 15 1HG2 THR 15 -4.940 -4.949 5.058
101 2HG2 THR 15 2HG2 THR 15 -5.404 -3.850 3.760
102 3HG2 THR 15 3HG2 THR 15 -5.335 -3.270 5.424
103 H CYS 16 H CYS 16 -1.887 -0.277 3.983
104 HA CYS 16 HA CYS 16 0.146 -0.425 2.077
105 1HB CYS 16 2HB CYS 16 -0.428 1.320 3.897
106 2HB CYS 16 1HB CYS 16 0.610 0.366 4.956
107 H CYS 17 H CYS 17 1.733 -1.923 1.706
108 HA CYS 17 HA CYS 17 2.890 -3.416 4.008
109 1HB CYS 17 2HB CYS 17 1.166 -4.440 1.816
110 2HB CYS 17 1HB CYS 17 2.579 -5.421 2.203
111 HG CYS 17 HG CYS 17 1.369 -4.842 4.808
112 H ARG 18 H ARG 18 5.064 -3.932 3.657
113 HA ARG 18 HA ARG 18 6.286 -2.824 1.181
114 1HB ARG 18 2HB ARG 18 6.896 -2.959 3.968
115 2HB ARG 18 1HB ARG 18 8.168 -3.818 3.098
116 1HG ARG 18 2HG ARG 18 7.537 -1.446 1.630
117 2HG ARG 18 1HG ARG 18 7.790 -0.999 3.318
118 1HD ARG 18 2HD ARG 18 9.826 -2.848 2.811
119 2HD ARG 18 1HD ARG 18 9.758 -1.852 1.342
120 HE ARG 18 HE ARG 18 9.953 0.153 2.806
121 1HH1 ARG 18 1HH2 ARG 18 9.251 -1.703 5.253
122 2HH1 ARG 18 2HH2 ARG 18 10.763 -1.640 6.095
123 1HH2 ARG 18 2HH1 ARG 18 12.503 -0.293 3.416
124 2HH2 ARG 18 1HH1 ARG 18 12.602 -0.845 5.055
125 H LEU 19 H LEU 19 7.444 -4.123 -0.258
126 HA LEU 19 HA LEU 19 6.906 -6.988 -0.252
127 1HB LEU 19 2HB LEU 19 7.805 -4.894 -2.016
128 2HB LEU 19 1HB LEU 19 8.908 -6.267 -2.137
129 HG LEU 19 HG LEU 19 6.659 -7.659 -2.207
130 1HD1 LEU 19 1HD1 LEU 19 5.035 -5.978 -1.875
131 2HD1 LEU 19 2HD1 LEU 19 5.010 -6.242 -3.619
132 3HD1 LEU 19 3HD1 LEU 19 5.858 -4.848 -2.950
133 1HD2 LEU 19 1HD2 LEU 19 6.630 -7.119 -4.776
134 2HD2 LEU 19 2HD2 LEU 19 8.073 -7.845 -4.067
135 3HD2 LEU 19 3HD2 LEU 19 8.028 -6.113 -4.396
136 HA PRO 20 HA PRO 20 10.541 -8.395 1.765
137 1HB PRO 20 2HB PRO 20 11.092 -10.687 0.373
138 2HB PRO 20 1HB PRO 20 9.735 -10.544 1.507
139 1HG PRO 20 2HG PRO 20 9.737 -10.409 -1.463
140 2HG PRO 20 1HG PRO 20 8.555 -11.138 -0.367
141 1HD PRO 20 2HD PRO 20 8.205 -8.714 -1.579
142 2HD PRO 20 1HD PRO 20 7.452 -9.164 -0.033
143 H SER 21 H SER 21 10.606 -7.348 -1.464
144 HA SER 21 HA SER 21 13.572 -7.694 -1.667
145 1HB SER 21 2HB SER 21 12.546 -8.558 -3.594
146 2HB SER 21 1HB SER 21 11.284 -7.329 -3.587
147 HG SER 21 HG SER 21 12.663 -6.689 -5.150
148 H GLY 22 H GLY 22 12.145 -5.620 -0.010
149 1HA GLY 22 2HA GLY 22 12.509 -3.353 0.495
150 2HA GLY 22 1HA GLY 22 13.756 -3.348 -0.752
151 H ALA 23 H ALA 23 10.187 -3.478 -0.490
152 HA ALA 23 HA ALA 23 9.978 -1.301 -2.481
153 1HB ALA 23 1HB ALA 23 9.437 -2.649 -4.221
154 2HB ALA 23 2HB ALA 23 8.284 -3.548 -3.236
155 3HB ALA 23 3HB ALA 23 9.987 -4.003 -3.233
156 H TRP 24 H TRP 24 7.506 -0.881 -2.868
157 HA TRP 24 HA TRP 24 6.022 -1.388 -0.306
158 1HB TRP 24 2HB TRP 24 6.583 1.046 -1.934
159 2HB TRP 24 1HB TRP 24 4.985 0.934 -1.197
160 HD1 TRP 24 HD1 TRP 24 8.229 2.260 -0.452
161 HE1 TRP 24 HE1 TRP 24 8.632 2.485 2.085
162 HE3 TRP 24 HE3 TRP 24 4.435 -0.674 1.306
163 HZ2 TRP 24 HZ2 TRP 24 7.498 1.542 4.534
164 HZ3 TRP 24 HZ3 TRP 24 4.119 -0.992 3.744
165 HH2 TRP 24 HH2 TRP 24 5.646 0.111 5.359
166 H GLY 25 H GLY 25 3.784 -1.825 -0.527
167 1HA GLY 25 2HA GLY 25 2.414 -1.608 -3.077
168 2HA GLY 25 1HA GLY 25 2.836 -3.278 -2.695
169 H CYS 26 H CYS 26 0.142 -2.193 -2.863
170 HA CYS 26 HA CYS 26 -0.773 -2.130 -0.028
171 1HB CYS 26 2HB CYS 26 -2.413 -1.836 -2.555
172 2HB CYS 26 1HB CYS 26 -2.780 -1.215 -0.947
173 H CYS 27 H CYS 27 -1.543 -4.009 0.879
174 HA CYS 27 HA CYS 27 -2.265 -6.255 -0.967
175 1HB CYS 27 2HB CYS 27 -0.861 -5.950 1.611
176 2HB CYS 27 1HB CYS 27 -1.973 -7.317 1.547
177 HG CYS 27 HG CYS 27 0.521 -6.959 -0.282
178 HA PRO 28 HA PRO 28 -6.418 -5.582 0.489
179 1HB PRO 28 2HB PRO 28 -7.543 -7.745 -0.753
180 2HB PRO 28 1HB PRO 28 -7.121 -6.252 -1.614
181 1HG PRO 28 2HG PRO 28 -5.667 -8.844 -1.493
182 2HG PRO 28 1HG PRO 28 -5.876 -7.727 -2.851
183 1HD PRO 28 2HD PRO 28 -3.593 -7.896 -1.360
184 2HD PRO 28 1HD PRO 28 -4.105 -6.429 -2.224
185 H PHE 29 H PHE 29 -7.848 -6.659 2.029
186 HA PHE 29 HA PHE 29 -6.911 -9.256 3.131
187 1HB PHE 29 2HB PHE 29 -6.720 -8.275 5.376
188 2HB PHE 29 1HB PHE 29 -5.659 -7.429 4.252
189 HD1 PHE 29 HD1 PHE 29 -8.033 -6.981 6.785
190 HD2 PHE 29 HD2 PHE 29 -6.869 -5.381 2.971
191 HE1 PHE 29 HE1 PHE 29 -9.159 -4.843 7.336
192 HE2 PHE 29 HE2 PHE 29 -8.001 -3.247 3.520
193 HZ PHE 29 HZ PHE 29 -9.144 -2.975 5.704
194 H THR 30 H THR 30 -9.286 -6.585 3.492
195 HA THR 30 HA THR 30 -11.395 -8.681 3.805
196 HB THR 30 HB THR 30 -10.437 -7.672 5.988
197 HG1 THR 30 HG1 THR 30 -13.089 -7.910 5.186
198 1HG2 THR 30 1HG2 THR 30 -10.928 -5.481 6.558
199 2HG2 THR 30 2HG2 THR 30 -12.305 -5.393 5.461
200 3HG2 THR 30 3HG2 THR 30 -10.662 -5.301 4.824
201 H GLN 31 H GLN 31 -11.069 -7.422 1.404
202 HA GLN 31 HA GLN 31 -12.158 -4.934 0.848
203 1HB GLN 31 2HB GLN 31 -12.459 -7.630 -0.493
204 2HB GLN 31 1HB GLN 31 -13.043 -6.143 -1.240
205 1HG GLN 31 2HG GLN 31 -10.910 -5.297 -1.554
206 2HG GLN 31 1HG GLN 31 -10.239 -6.202 -0.196
207 1HE2 GLN 31 1HE2 GLN 31 -9.960 -8.605 -0.542
208 2HE2 GLN 31 2HE2 GLN 31 -9.697 -9.182 -2.116
Start of MODEL 6
1 H VAL 1 H VAL 1 -8.471 9.636 -0.276
2 HA VAL 1 HA VAL 1 -7.546 7.279 -1.064
3 HB VAL 1 HB VAL 1 -5.314 7.759 -2.243
4 1HG1 VAL 1 1HG1 VAL 1 -6.437 7.294 -4.145
5 2HG1 VAL 1 2HG1 VAL 1 -7.291 8.837 -4.100
6 3HG1 VAL 1 3HG1 VAL 1 -7.914 7.458 -3.195
7 1HG2 VAL 1 1HG2 VAL 1 -4.826 9.896 -2.990
8 2HG2 VAL 1 2HG2 VAL 1 -5.658 10.291 -1.486
9 3HG2 VAL 1 3HG2 VAL 1 -6.520 10.384 -3.022
10 H VAL 2 H VAL 2 -5.692 6.412 0.138
11 HA VAL 2 HA VAL 2 -4.895 8.190 2.404
12 HB VAL 2 HB VAL 2 -4.851 5.175 2.068
13 1HG1 VAL 2 1HG1 VAL 2 -3.764 6.957 4.061
14 2HG1 VAL 2 2HG1 VAL 2 -3.666 5.198 3.984
15 3HG1 VAL 2 3HG1 VAL 2 -5.038 5.971 4.778
16 1HG2 VAL 2 1HG2 VAL 2 -6.929 5.116 3.222
17 2HG2 VAL 2 2HG2 VAL 2 -7.124 6.382 2.010
18 3HG2 VAL 2 3HG2 VAL 2 -6.806 6.811 3.692
19 H HIS 3 H HIS 3 -2.966 9.171 1.756
20 HA HIS 3 HA HIS 3 -0.984 8.321 0.027
21 1HB HIS 3 2HB HIS 3 -0.937 9.808 2.650
22 2HB HIS 3 1HB HIS 3 0.547 9.568 1.728
23 HD1 HIS 3 HD1 HIS 3 1.020 11.463 0.195
24 HD2 HIS 3 HD2 HIS 3 -3.081 10.903 0.695
25 HE1 HIS 3 HE1 HIS 3 -0.121 13.242 -1.199
26 H CYS 4 H CYS 4 0.104 6.400 -0.061
27 HA CYS 4 HA CYS 4 0.332 4.649 2.277
28 1HB CYS 4 2HB CYS 4 0.440 4.501 -0.565
29 2HB CYS 4 1HB CYS 4 1.985 3.903 0.041
30 H ASP 5 H ASP 5 2.481 6.725 0.356
31 HA ASP 5 HA ASP 5 4.328 7.057 2.582
32 1HB ASP 5 2HB ASP 5 5.019 4.843 2.004
33 2HB ASP 5 1HB ASP 5 4.966 5.204 0.279
34 H MET 6 H MET 6 5.192 6.847 -0.860
35 HA MET 6 HA MET 6 5.096 9.816 -1.079
36 1HB MET 6 2HB MET 6 7.328 8.762 -0.170
37 2HB MET 6 1HB MET 6 7.584 8.320 -1.860
38 1HG MET 6 2HG MET 6 8.613 10.499 -1.397
39 2HG MET 6 1HG MET 6 7.260 10.693 -2.511
40 1HE MET 6 1HE MET 6 8.391 12.862 0.850
41 2HE MET 6 2HE MET 6 9.027 11.295 0.354
42 3HE MET 6 3HE MET 6 7.934 11.398 1.733
43 H GLU 7 H GLU 7 6.204 6.872 -2.825
44 HA GLU 7 HA GLU 7 5.118 8.061 -5.341
45 1HB GLU 7 2HB GLU 7 6.577 6.401 -6.415
46 2HB GLU 7 1HB GLU 7 7.490 7.308 -5.211
47 1HG GLU 7 2HG GLU 7 7.743 5.499 -3.843
48 2HG GLU 7 1HG GLU 7 6.140 4.864 -4.219
49 H VAL 8 H VAL 8 3.791 6.384 -2.973
50 HA VAL 8 HA VAL 8 2.171 4.691 -4.829
51 HB VAL 8 HB VAL 8 2.205 3.108 -2.668
52 1HG1 VAL 8 1HG1 VAL 8 3.047 1.838 -4.319
53 2HG1 VAL 8 2HG1 VAL 8 4.644 2.478 -3.928
54 3HG1 VAL 8 3HG1 VAL 8 3.658 3.261 -5.162
55 1HG2 VAL 8 1HG2 VAL 8 5.054 4.011 -2.575
56 2HG2 VAL 8 2HG2 VAL 8 4.072 3.267 -1.313
57 3HG2 VAL 8 3HG2 VAL 8 3.865 4.975 -1.699
58 H ILE 9 H ILE 9 -0.024 4.699 -4.335
59 HA ILE 9 HA ILE 9 -0.897 5.877 -1.740
60 HB ILE 9 HB ILE 9 -0.542 7.514 -3.782
61 1HG1 ILE 9 2HG1 ILE 9 -1.483 8.485 -1.880
62 2HG1 ILE 9 1HG1 ILE 9 -2.772 8.695 -3.061
63 1HG2 ILE 9 1HG2 ILE 9 -3.288 6.389 -4.400
64 2HG2 ILE 9 2HG2 ILE 9 -1.841 6.106 -5.369
65 3HG2 ILE 9 3HG2 ILE 9 -2.498 7.736 -5.221
66 1HD1 ILE 9 1HD1 ILE 9 -3.816 6.576 -2.228
67 2HD1 ILE 9 2HD1 ILE 9 -3.732 7.837 -0.997
68 3HD1 ILE 9 3HD1 ILE 9 -2.576 6.505 -0.975
69 H CYS 10 H CYS 10 -2.593 4.639 -0.964
70 HA CYS 10 HA CYS 10 -4.148 3.007 -2.947
71 1HB CYS 10 2HB CYS 10 -2.688 2.403 -0.506
72 2HB CYS 10 1HB CYS 10 -4.364 1.865 -0.392
73 HA PRO 11 HA PRO 11 -7.726 5.019 -1.383
74 1HB PRO 11 2HB PRO 11 -9.627 3.166 -2.028
75 2HB PRO 11 1HB PRO 11 -8.819 4.186 -3.232
76 1HG PRO 11 2HG PRO 11 -8.394 1.337 -2.581
77 2HG PRO 11 1HG PRO 11 -8.209 2.186 -4.119
78 1HD PRO 11 2HD PRO 11 -6.130 1.431 -2.425
79 2HD PRO 11 1HD PRO 11 -6.023 2.623 -3.737
80 H ASP 12 H ASP 12 -6.272 3.671 0.701
81 HA ASP 12 HA ASP 12 -6.653 2.998 2.934
82 1HB ASP 12 2HB ASP 12 -8.624 4.651 2.315
83 2HB ASP 12 1HB ASP 12 -9.600 3.184 2.401
84 H GLY 13 H GLY 13 -9.361 1.665 0.988
85 1HA GLY 13 2HA GLY 13 -9.841 -0.696 2.300
86 2HA GLY 13 1HA GLY 13 -9.893 -0.594 0.542
87 H TYR 14 H TYR 14 -6.940 0.075 0.493
88 HA TYR 14 HA TYR 14 -6.011 -2.750 0.704
89 1HB TYR 14 2HB TYR 14 -5.015 -0.276 -0.735
90 2HB TYR 14 1HB TYR 14 -4.186 -1.834 -0.783
91 HD1 TYR 14 HD1 TYR 14 -5.067 -3.694 -2.032
92 HD2 TYR 14 HD2 TYR 14 -7.279 -0.029 -1.703
93 HE1 TYR 14 HE1 TYR 14 -6.600 -4.459 -3.826
94 HE2 TYR 14 HE2 TYR 14 -8.814 -0.791 -3.498
95 HH TYR 14 HH TYR 14 -9.356 -2.448 -4.870
96 H THR 15 H THR 15 -3.984 -3.228 1.711
97 HA THR 15 HA THR 15 -3.216 -1.293 3.850
98 HB THR 15 HB THR 15 -3.949 -3.584 4.452
99 HG1 THR 15 HG1 THR 15 -1.198 -3.658 4.870
100 1HG2 THR 15 1HG2 THR 15 -1.685 -5.089 3.612
101 2HG2 THR 15 2HG2 THR 15 -2.316 -4.251 2.196
102 3HG2 THR 15 3HG2 THR 15 -3.368 -5.307 3.137
103 H CYS 16 H CYS 16 -1.030 -0.636 4.053
104 HA CYS 16 HA CYS 16 0.614 -0.960 1.604
105 1HB CYS 16 2HB CYS 16 -0.017 1.140 3.262
106 2HB CYS 16 1HB CYS 16 1.585 0.688 3.848
107 H CYS 17 H CYS 17 2.190 -2.493 1.574
108 HA CYS 17 HA CYS 17 3.664 -3.110 4.098
109 1HB CYS 17 2HB CYS 17 1.722 -4.728 2.770
110 2HB CYS 17 1HB CYS 17 3.297 -5.485 2.527
111 HG CYS 17 HG CYS 17 2.024 -4.922 5.323
112 H ARG 18 H ARG 18 5.871 -3.573 3.714
113 HA ARG 18 HA ARG 18 6.839 -2.950 0.987
114 1HB ARG 18 2HB ARG 18 7.756 -2.773 3.756
115 2HB ARG 18 1HB ARG 18 9.002 -3.414 2.683
116 1HG ARG 18 2HG ARG 18 7.900 -1.336 1.208
117 2HG ARG 18 1HG ARG 18 7.914 -0.703 2.853
118 1HD ARG 18 2HD ARG 18 10.382 -1.805 2.801
119 2HD ARG 18 1HD ARG 18 10.202 -1.391 1.084
120 HE ARG 18 HE ARG 18 9.262 0.790 2.687
121 1HH1 ARG 18 2HH1 ARG 18 11.466 0.285 0.393
122 2HH1 ARG 18 1HH1 ARG 18 12.771 1.172 1.110
123 1HH2 ARG 18 1HH2 ARG 18 11.231 1.454 4.204
124 2HH2 ARG 18 2HH2 ARG 18 12.636 1.835 3.265
125 H LEU 19 H LEU 19 7.715 -4.474 -0.363
126 HA LEU 19 HA LEU 19 7.369 -7.278 0.106
127 1HB LEU 19 2HB LEU 19 8.171 -5.460 -1.951
128 2HB LEU 19 1HB LEU 19 9.372 -6.750 -1.869
129 HG LEU 19 HG LEU 19 7.147 -8.245 -1.680
130 1HD1 LEU 19 1HD1 LEU 19 6.315 -5.607 -2.727
131 2HD1 LEU 19 2HD1 LEU 19 5.347 -6.874 -1.975
132 3HD1 LEU 19 3HD1 LEU 19 5.776 -6.988 -3.682
133 1HD2 LEU 19 1HD2 LEU 19 9.096 -7.669 -3.616
134 2HD2 LEU 19 2HD2 LEU 19 7.558 -7.546 -4.472
135 3HD2 LEU 19 3HD2 LEU 19 7.979 -9.035 -3.625
136 HA PRO 20 HA PRO 20 11.115 -8.467 2.062
137 1HB PRO 20 2HB PRO 20 11.840 -10.726 0.708
138 2HB PRO 20 1HB PRO 20 10.443 -10.665 1.801
139 1HG PRO 20 2HG PRO 20 10.529 -10.589 -1.166
140 2HG PRO 20 1HG PRO 20 9.338 -11.329 -0.086
141 1HD PRO 20 2HD PRO 20 8.988 -8.930 -1.393
142 2HD PRO 20 1HD PRO 20 8.120 -9.416 0.079
143 H SER 21 H SER 21 11.186 -7.219 -1.020
144 HA SER 21 HA SER 21 14.171 -7.472 -1.213
145 1HB SER 21 2HB SER 21 12.018 -7.072 -3.311
146 2HB SER 21 1HB SER 21 13.746 -7.072 -3.655
147 HG SER 21 HG SER 21 13.693 -9.166 -3.588
148 H GLY 22 H GLY 22 12.553 -5.444 0.319
149 1HA GLY 22 2HA GLY 22 12.705 -3.136 0.723
150 2HA GLY 22 1HA GLY 22 14.037 -3.106 -0.432
151 H ALA 23 H ALA 23 10.508 -3.687 -0.601
152 HA ALA 23 HA ALA 23 10.304 -1.514 -2.628
153 1HB ALA 23 1HB ALA 23 10.730 -3.964 -3.517
154 2HB ALA 23 2HB ALA 23 9.513 -2.955 -4.297
155 3HB ALA 23 3HB ALA 23 9.023 -4.187 -3.135
156 H TRP 24 H TRP 24 7.902 -1.082 -3.093
157 HA TRP 24 HA TRP 24 6.347 -1.446 -0.564
158 1HB TRP 24 2HB TRP 24 6.620 0.616 -2.694
159 2HB TRP 24 1HB TRP 24 5.022 0.439 -1.971
160 HD1 TRP 24 HD1 TRP 24 7.610 2.675 -1.552
161 HE1 TRP 24 HE1 TRP 24 8.007 3.401 0.890
162 HE3 TRP 24 HE3 TRP 24 5.150 -1.073 0.893
163 HZ2 TRP 24 HZ2 TRP 24 7.366 2.509 3.531
164 HZ3 TRP 24 HZ3 TRP 24 5.060 -1.111 3.370
165 HH2 TRP 24 HH2 TRP 24 6.164 0.674 4.692
166 H GLY 25 H GLY 25 4.203 -2.244 -0.673
167 1HA GLY 25 2HA GLY 25 3.044 -2.948 -3.286
168 2HA GLY 25 1HA GLY 25 3.463 -4.316 -2.255
169 H CYS 26 H CYS 26 0.837 -2.824 -3.160
170 HA CYS 26 HA CYS 26 -0.364 -2.431 -0.455
171 1HB CYS 26 2HB CYS 26 -0.466 -0.993 -2.793
172 2HB CYS 26 1HB CYS 26 -1.948 -1.942 -2.896
173 H CYS 27 H CYS 27 -1.660 -4.032 0.361
174 HA CYS 27 HA CYS 27 -2.752 -6.058 -1.568
175 1HB CYS 27 2HB CYS 27 -1.699 -6.390 1.257
176 2HB CYS 27 1HB CYS 27 -2.378 -7.686 0.273
177 HG CYS 27 HG CYS 27 -0.285 -6.668 -1.436
178 HA PRO 28 HA PRO 28 -6.588 -4.780 0.261
179 1HB PRO 28 2HB PRO 28 -8.182 -6.617 -0.989
180 2HB PRO 28 1HB PRO 28 -7.537 -5.183 -1.812
181 1HG PRO 28 2HG PRO 28 -6.629 -8.005 -1.937
182 2HG PRO 28 1HG PRO 28 -6.667 -6.773 -3.206
183 1HD PRO 28 2HD PRO 28 -4.406 -7.528 -1.832
184 2HD PRO 28 1HD PRO 28 -4.615 -5.962 -2.647
185 H PHE 29 H PHE 29 -7.963 -5.575 1.943
186 HA PHE 29 HA PHE 29 -7.424 -8.372 2.882
187 1HB PHE 29 2HB PHE 29 -7.424 -7.319 5.207
188 2HB PHE 29 1HB PHE 29 -6.037 -6.914 4.195
189 HD1 PHE 29 HD1 PHE 29 -5.516 -4.668 3.742
190 HD2 PHE 29 HD2 PHE 29 -9.444 -5.688 5.152
191 HE1 PHE 29 HE1 PHE 29 -6.072 -2.260 3.938
192 HE2 PHE 29 HE2 PHE 29 -9.999 -3.279 5.349
193 HZ PHE 29 HZ PHE 29 -8.312 -1.565 4.744
194 H THR 30 H THR 30 -9.252 -9.422 3.684
195 HA THR 30 HA THR 30 -11.850 -8.067 3.290
196 HB THR 30 HB THR 30 -10.929 -10.885 3.914
197 HG1 THR 30 HG1 THR 30 -11.086 -11.084 1.840
198 1HG2 THR 30 1HG2 THR 30 -12.975 -10.991 4.967
199 2HG2 THR 30 2HG2 THR 30 -13.506 -11.254 3.306
200 3HG2 THR 30 3HG2 THR 30 -13.644 -9.653 4.033
201 H GLN 31 H GLN 31 -13.479 -8.057 5.009
202 HA GLN 31 HA GLN 31 -12.678 -8.700 7.762
203 1HB GLN 31 2HB GLN 31 -12.570 -6.436 8.537
204 2HB GLN 31 1HB GLN 31 -11.595 -6.479 7.069
205 1HG GLN 31 2HG GLN 31 -14.207 -5.966 6.183
206 2HG GLN 31 1HG GLN 31 -14.008 -4.960 7.617
207 1HE2 GLN 31 1HE2 GLN 31 -11.857 -5.935 4.877
208 2HE2 GLN 31 2HE2 GLN 31 -11.315 -4.359 4.556
Start of MODEL 7
1 H VAL 1 H VAL 1 -6.862 10.990 0.873
2 HA VAL 1 HA VAL 1 -7.108 8.161 -0.105
3 HB VAL 1 HB VAL 1 -4.790 8.564 -1.017
4 1HG1 VAL 1 1HG1 VAL 1 -6.938 8.850 -2.346
5 2HG1 VAL 1 2HG1 VAL 1 -5.551 9.753 -2.959
6 3HG1 VAL 1 3HG1 VAL 1 -6.806 10.580 -2.035
7 1HG2 VAL 1 1HG2 VAL 1 -4.241 10.438 0.532
8 2HG2 VAL 1 2HG2 VAL 1 -5.430 11.444 -0.297
9 3HG2 VAL 1 3HG2 VAL 1 -3.997 10.881 -1.158
10 H VAL 2 H VAL 2 -5.034 6.901 0.644
11 HA VAL 2 HA VAL 2 -4.632 7.494 3.550
12 HB VAL 2 HB VAL 2 -4.325 4.976 1.881
13 1HG1 VAL 2 1HG1 VAL 2 -4.228 5.292 4.894
14 2HG1 VAL 2 2HG1 VAL 2 -2.795 5.139 3.879
15 3HG1 VAL 2 3HG1 VAL 2 -3.955 3.813 3.971
16 1HG2 VAL 2 1HG2 VAL 2 -6.393 5.772 3.954
17 2HG2 VAL 2 2HG2 VAL 2 -6.347 4.247 3.069
18 3HG2 VAL 2 3HG2 VAL 2 -6.661 5.755 2.211
19 H HIS 3 H HIS 3 -2.990 7.103 0.483
20 HA HIS 3 HA HIS 3 -0.723 7.401 -0.113
21 1HB HIS 3 2HB HIS 3 -1.513 9.279 1.852
22 2HB HIS 3 1HB HIS 3 0.101 8.739 2.312
23 HD1 HIS 3 HD1 HIS 3 1.452 8.340 -0.361
24 HD2 HIS 3 HD2 HIS 3 -1.042 11.591 0.409
25 HE1 HIS 3 HE1 HIS 3 2.090 10.143 -2.022
26 H CYS 4 H CYS 4 -0.058 5.183 0.081
27 HA CYS 4 HA CYS 4 0.561 3.842 2.524
28 1HB CYS 4 2HB CYS 4 1.116 3.574 -0.388
29 2HB CYS 4 1HB CYS 4 2.172 2.665 0.691
30 H ASP 5 H ASP 5 2.510 5.908 0.390
31 HA ASP 5 HA ASP 5 4.378 6.480 2.573
32 1HB ASP 5 2HB ASP 5 4.795 4.211 1.000
33 2HB ASP 5 1HB ASP 5 5.875 5.417 0.300
34 H MET 6 H MET 6 6.529 7.254 0.770
35 HA MET 6 HA MET 6 5.462 9.830 -0.121
36 1HB MET 6 2HB MET 6 8.028 8.502 0.400
37 2HB MET 6 1HB MET 6 8.086 9.598 -0.981
38 1HG MET 6 2HG MET 6 8.624 10.784 1.121
39 2HG MET 6 1HG MET 6 7.139 11.405 0.400
40 1HE MET 6 1HE MET 6 6.759 11.926 4.002
41 2HE MET 6 2HE MET 6 5.411 12.115 2.885
42 3HE MET 6 3HE MET 6 7.042 12.521 2.360
43 H GLU 7 H GLU 7 5.978 6.741 -1.578
44 HA GLU 7 HA GLU 7 5.495 7.961 -4.272
45 1HB GLU 7 2HB GLU 7 7.736 6.356 -3.244
46 2HB GLU 7 1HB GLU 7 7.056 5.731 -4.747
47 1HG GLU 7 2HG GLU 7 7.234 8.583 -4.954
48 2HG GLU 7 1HG GLU 7 8.795 7.962 -4.414
49 H VAL 8 H VAL 8 3.836 6.423 -2.162
50 HA VAL 8 HA VAL 8 2.705 4.454 -4.099
51 HB VAL 8 HB VAL 8 3.276 3.870 -1.179
52 1HG1 VAL 8 1HG1 VAL 8 2.823 1.857 -3.366
53 2HG1 VAL 8 2HG1 VAL 8 1.442 2.654 -2.612
54 3HG1 VAL 8 3HG1 VAL 8 2.549 1.694 -1.632
55 1HG2 VAL 8 1HG2 VAL 8 5.170 2.530 -1.975
56 2HG2 VAL 8 2HG2 VAL 8 5.372 4.206 -2.486
57 3HG2 VAL 8 3HG2 VAL 8 4.822 2.993 -3.640
58 H ILE 9 H ILE 9 0.444 4.119 -3.805
59 HA ILE 9 HA ILE 9 -0.971 5.293 -1.521
60 HB ILE 9 HB ILE 9 -0.421 7.271 -2.866
61 1HG1 ILE 9 2HG1 ILE 9 -3.297 6.754 -3.541
62 2HG1 ILE 9 1HG1 ILE 9 -2.816 6.767 -1.844
63 1HG2 ILE 9 1HG2 ILE 9 -0.912 5.451 -5.024
64 2HG2 ILE 9 2HG2 ILE 9 -0.275 7.094 -5.103
65 3HG2 ILE 9 3HG2 ILE 9 -2.014 6.818 -5.189
66 1HD1 ILE 9 1HD1 ILE 9 -1.722 8.993 -3.442
67 2HD1 ILE 9 2HD1 ILE 9 -2.448 9.012 -1.835
68 3HD1 ILE 9 3HD1 ILE 9 -3.477 9.009 -3.267
69 H CYS 10 H CYS 10 -3.062 4.423 -1.370
70 HA CYS 10 HA CYS 10 -3.903 2.619 -3.618
71 1HB CYS 10 2HB CYS 10 -3.303 2.144 -0.874
72 2HB CYS 10 1HB CYS 10 -5.040 1.916 -1.073
73 HA PRO 11 HA PRO 11 -7.773 4.695 -3.581
74 1HB PRO 11 2HB PRO 11 -9.519 2.670 -4.134
75 2HB PRO 11 1HB PRO 11 -8.378 3.314 -5.329
76 1HG PRO 11 2HG PRO 11 -8.276 0.795 -3.791
77 2HG PRO 11 1HG PRO 11 -7.644 1.165 -5.399
78 1HD PRO 11 2HD PRO 11 -6.152 1.009 -3.043
79 2HD PRO 11 1HD PRO 11 -5.618 1.734 -4.574
80 H ASP 12 H ASP 12 -6.932 3.893 -0.875
81 HA ASP 12 HA ASP 12 -7.903 3.856 1.265
82 1HB ASP 12 2HB ASP 12 -10.567 3.965 -0.149
83 2HB ASP 12 1HB ASP 12 -10.125 4.649 1.413
84 H GLY 13 H GLY 13 -8.406 2.171 2.575
85 1HA GLY 13 2HA GLY 13 -9.372 0.106 3.261
86 2HA GLY 13 1HA GLY 13 -10.113 -0.038 1.668
87 H TYR 14 H TYR 14 -6.673 0.424 2.487
88 HA TYR 14 HA TYR 14 -6.083 -2.346 1.598
89 1HB TYR 14 2HB TYR 14 -5.472 0.206 0.139
90 2HB TYR 14 1HB TYR 14 -4.338 -1.140 0.014
91 HD1 TYR 14 HD1 TYR 14 -5.457 -3.501 -0.448
92 HD2 TYR 14 HD2 TYR 14 -7.270 0.287 -1.349
93 HE1 TYR 14 HE1 TYR 14 -6.943 -4.606 -2.095
94 HE2 TYR 14 HE2 TYR 14 -8.758 -0.820 -2.996
95 HH TYR 14 HH TYR 14 -9.195 -4.145 -3.132
96 H THR 15 H THR 15 -3.969 -3.034 2.247
97 HA THR 15 HA THR 15 -2.709 -1.299 4.327
98 HB THR 15 HB THR 15 -3.541 -3.500 5.021
99 HG1 THR 15 HG1 THR 15 -1.605 -4.277 5.860
100 1HG2 THR 15 1HG2 THR 15 -1.733 -5.235 3.662
101 2HG2 THR 15 2HG2 THR 15 -2.548 -4.252 2.445
102 3HG2 THR 15 3HG2 THR 15 -3.494 -5.219 3.577
103 H CYS 16 H CYS 16 -0.458 -0.887 4.229
104 HA CYS 16 HA CYS 16 0.787 -1.298 1.557
105 1HB CYS 16 2HB CYS 16 1.829 0.325 3.888
106 2HB CYS 16 1HB CYS 16 2.159 0.554 2.172
107 H CYS 17 H CYS 17 2.047 -3.118 1.396
108 HA CYS 17 HA CYS 17 3.535 -4.039 3.830
109 1HB CYS 17 2HB CYS 17 2.452 -5.398 1.353
110 2HB CYS 17 1HB CYS 17 3.587 -6.202 2.437
111 HG CYS 17 HG CYS 17 0.937 -5.068 3.625
112 H ARG 18 H ARG 18 5.737 -3.792 3.760
113 HA ARG 18 HA ARG 18 7.023 -2.850 1.283
114 1HB ARG 18 2HB ARG 18 7.345 -2.564 4.061
115 2HB ARG 18 1HB ARG 18 8.768 -3.460 3.525
116 1HG ARG 18 2HG ARG 18 8.118 -1.308 1.679
117 2HG ARG 18 1HG ARG 18 8.371 -0.695 3.314
118 1HD ARG 18 2HD ARG 18 10.386 -2.664 2.812
119 2HD ARG 18 1HD ARG 18 10.361 -1.540 1.439
120 HE ARG 18 HE ARG 18 10.433 -0.548 4.264
121 1HH1 ARG 18 2HH1 ARG 18 12.369 -1.151 1.593
122 2HH1 ARG 18 1HH1 ARG 18 13.048 0.439 1.502
123 1HH2 ARG 18 1HH2 ARG 18 10.924 1.766 3.902
124 2HH2 ARG 18 2HH2 ARG 18 12.229 2.092 2.811
125 H LEU 19 H LEU 19 7.975 -4.241 -0.153
126 HA LEU 19 HA LEU 19 8.166 -7.090 0.349
127 1HB LEU 19 2HB LEU 19 8.399 -5.182 -1.799
128 2HB LEU 19 1HB LEU 19 9.770 -6.290 -1.856
129 HG LEU 19 HG LEU 19 7.653 -7.982 -1.319
130 1HD1 LEU 19 1HD1 LEU 19 6.445 -6.766 -3.618
131 2HD1 LEU 19 2HD1 LEU 19 6.555 -5.559 -2.338
132 3HD1 LEU 19 3HD1 LEU 19 5.721 -7.084 -2.043
133 1HD2 LEU 19 1HD2 LEU 19 8.087 -8.845 -3.487
134 2HD2 LEU 19 2HD2 LEU 19 9.603 -8.080 -3.011
135 3HD2 LEU 19 3HD2 LEU 19 8.510 -7.256 -4.125
136 HA PRO 20 HA PRO 20 12.212 -7.326 2.032
137 1HB PRO 20 2HB PRO 20 13.133 -9.652 0.924
138 2HB PRO 20 1HB PRO 20 11.893 -9.611 2.193
139 1HG PRO 20 2HG PRO 20 11.591 -10.001 -0.736
140 2HG PRO 20 1HG PRO 20 10.696 -10.737 0.601
141 1HD PRO 20 2HD PRO 20 9.747 -8.671 -0.937
142 2HD PRO 20 1HD PRO 20 9.208 -9.014 0.722
143 H SER 21 H SER 21 11.709 -6.825 -1.275
144 HA SER 21 HA SER 21 14.645 -6.544 -1.808
145 1HB SER 21 2HB SER 21 12.953 -8.038 -3.163
146 2HB SER 21 1HB SER 21 12.474 -6.507 -3.889
147 HG SER 21 HG SER 21 15.199 -7.120 -3.668
148 H GLY 22 H GLY 22 12.931 -4.561 -0.368
149 1HA GLY 22 2HA GLY 22 12.728 -2.221 -0.340
150 2HA GLY 22 1HA GLY 22 13.813 -2.187 -1.731
151 H ALA 23 H ALA 23 10.428 -3.043 -0.938
152 HA ALA 23 HA ALA 23 9.507 -1.456 -3.258
153 1HB ALA 23 1HB ALA 23 10.097 -4.195 -3.467
154 2HB ALA 23 2HB ALA 23 9.165 -3.235 -4.616
155 3HB ALA 23 3HB ALA 23 8.340 -4.119 -3.332
156 H TRP 24 H TRP 24 6.952 -1.860 -3.386
157 HA TRP 24 HA TRP 24 5.866 -2.150 -0.609
158 1HB TRP 24 2HB TRP 24 5.771 0.122 -2.549
159 2HB TRP 24 1HB TRP 24 4.340 -0.169 -1.561
160 HD1 TRP 24 HD1 TRP 24 7.427 1.704 -1.478
161 HE1 TRP 24 HE1 TRP 24 8.092 2.346 0.928
162 HE3 TRP 24 HE3 TRP 24 4.347 -1.409 1.150
163 HZ2 TRP 24 HZ2 TRP 24 7.407 1.636 3.613
164 HZ3 TRP 24 HZ3 TRP 24 4.374 -1.405 3.628
165 HH2 TRP 24 HH2 TRP 24 5.899 0.112 4.862
166 H GLY 25 H GLY 25 3.751 -3.013 -0.535
167 1HA GLY 25 2HA GLY 25 2.453 -3.665 -3.138
168 2HA GLY 25 1HA GLY 25 2.736 -4.956 -1.968
169 H CYS 26 H CYS 26 0.262 -3.318 -3.064
170 HA CYS 26 HA CYS 26 -0.902 -2.477 -0.459
171 1HB CYS 26 2HB CYS 26 -0.991 -1.556 -3.098
172 2HB CYS 26 1HB CYS 26 -2.579 -2.282 -2.841
173 H CYS 27 H CYS 27 -1.843 -4.147 0.665
174 HA CYS 27 HA CYS 27 -3.223 -6.315 -0.871
175 1HB CYS 27 2HB CYS 27 -1.749 -6.043 1.696
176 2HB CYS 27 1HB CYS 27 -3.113 -7.161 1.707
177 HG CYS 27 HG CYS 27 -0.661 -7.432 -0.218
178 HA PRO 28 HA PRO 28 -7.096 -4.670 0.439
179 1HB PRO 28 2HB PRO 28 -8.617 -6.933 0.188
180 2HB PRO 28 1HB PRO 28 -8.058 -5.982 -1.204
181 1HG PRO 28 2HG PRO 28 -6.954 -8.509 -0.073
182 2HG PRO 28 1HG PRO 28 -7.150 -8.020 -1.764
183 1HD PRO 28 2HD PRO 28 -4.769 -7.919 -0.458
184 2HD PRO 28 1HD PRO 28 -5.198 -6.811 -1.780
185 H PHE 29 H PHE 29 -8.406 -4.653 2.334
186 HA PHE 29 HA PHE 29 -8.080 -6.810 4.337
187 1HB PHE 29 2HB PHE 29 -6.245 -4.854 4.334
188 2HB PHE 29 1HB PHE 29 -7.501 -4.026 5.254
189 HD1 PHE 29 HD1 PHE 29 -6.347 -7.594 5.099
190 HD2 PHE 29 HD2 PHE 29 -7.050 -4.130 7.538
191 HE1 PHE 29 HE1 PHE 29 -5.731 -8.892 7.119
192 HE2 PHE 29 HE2 PHE 29 -6.434 -5.428 9.559
193 HZ PHE 29 HZ PHE 29 -5.774 -7.809 9.350
194 H THR 30 H THR 30 -10.218 -5.214 2.717
195 HA THR 30 HA THR 30 -11.857 -4.207 5.004
196 HB THR 30 HB THR 30 -13.205 -3.241 3.088
197 HG1 THR 30 HG1 THR 30 -12.550 -3.581 1.079
198 1HG2 THR 30 1HG2 THR 30 -11.222 -1.717 2.332
199 2HG2 THR 30 2HG2 THR 30 -10.291 -2.635 3.515
200 3HG2 THR 30 3HG2 THR 30 -11.702 -1.711 4.029
201 H GLN 31 H GLN 31 -11.451 -7.114 4.392
202 HA GLN 31 HA GLN 31 -13.898 -8.094 3.142
203 1HB GLN 31 2HB GLN 31 -12.990 -10.269 3.933
204 2HB GLN 31 1HB GLN 31 -11.751 -9.304 3.129
205 1HG GLN 31 2HG GLN 31 -10.698 -8.735 5.150
206 2HG GLN 31 1HG GLN 31 -12.129 -9.117 6.110
207 1HE2 GLN 31 1HE2 GLN 31 -10.347 -10.460 7.308
208 2HE2 GLN 31 2HE2 GLN 31 -10.101 -12.047 6.756
Start of MODEL 8
1 H VAL 1 H VAL 1 -8.203 8.707 -3.336
2 HA VAL 1 HA VAL 1 -7.448 5.888 -2.935
3 HB VAL 1 HB VAL 1 -5.221 6.301 -4.061
4 1HG1 VAL 1 1HG1 VAL 1 -6.042 5.793 -6.232
5 2HG1 VAL 1 2HG1 VAL 1 -7.519 6.723 -5.978
6 3HG1 VAL 1 3HG1 VAL 1 -7.283 5.193 -5.133
7 1HG2 VAL 1 1HG2 VAL 1 -5.008 8.210 -5.546
8 2HG2 VAL 1 2HG2 VAL 1 -5.422 8.807 -3.939
9 3HG2 VAL 1 3HG2 VAL 1 -6.660 8.721 -5.193
10 H VAL 2 H VAL 2 -5.680 5.705 -1.374
11 HA VAL 2 HA VAL 2 -5.356 8.176 0.282
12 HB VAL 2 HB VAL 2 -5.141 5.208 0.875
13 1HG1 VAL 2 1HG1 VAL 2 -4.117 5.711 2.818
14 2HG1 VAL 2 2HG1 VAL 2 -5.310 6.958 3.180
15 3HG1 VAL 2 3HG1 VAL 2 -3.893 7.349 2.206
16 1HG2 VAL 2 1HG2 VAL 2 -7.296 7.182 0.937
17 2HG2 VAL 2 2HG2 VAL 2 -7.063 6.407 2.503
18 3HG2 VAL 2 3HG2 VAL 2 -7.386 5.425 1.073
19 H HIS 3 H HIS 3 -3.249 8.804 0.930
20 HA HIS 3 HA HIS 3 -1.061 8.111 -0.832
21 1HB HIS 3 2HB HIS 3 -1.656 10.251 0.584
22 2HB HIS 3 1HB HIS 3 -0.764 9.422 1.861
23 HD1 HIS 3 HD1 HIS 3 -0.013 9.557 -1.876
24 HD2 HIS 3 HD2 HIS 3 1.726 10.633 1.758
25 HE1 HIS 3 HE1 HIS 3 2.315 10.395 -2.416
26 H CYS 4 H CYS 4 -1.079 5.716 -0.458
27 HA CYS 4 HA CYS 4 -0.746 4.252 1.840
28 1HB CYS 4 2HB CYS 4 -0.560 3.704 -0.733
29 2HB CYS 4 1HB CYS 4 1.173 3.850 -0.441
30 H ASP 5 H ASP 5 1.982 5.851 0.130
31 HA ASP 5 HA ASP 5 3.332 6.206 2.764
32 1HB ASP 5 2HB ASP 5 3.857 4.051 1.187
33 2HB ASP 5 1HB ASP 5 5.013 5.209 0.530
34 H MET 6 H MET 6 5.836 6.879 1.286
35 HA MET 6 HA MET 6 5.241 9.687 0.758
36 1HB MET 6 2HB MET 6 7.286 9.174 1.844
37 2HB MET 6 1HB MET 6 7.666 7.887 0.698
38 1HG MET 6 2HG MET 6 8.663 9.331 -0.722
39 2HG MET 6 1HG MET 6 7.304 10.452 -0.642
40 1HE MET 6 1HE MET 6 9.966 11.324 -1.147
41 2HE MET 6 2HE MET 6 11.028 10.399 -0.088
42 3HE MET 6 3HE MET 6 10.871 12.140 0.136
43 H GLU 7 H GLU 7 5.976 6.822 -1.206
44 HA GLU 7 HA GLU 7 5.446 8.480 -3.652
45 1HB GLU 7 2HB GLU 7 7.783 7.114 -2.834
46 2HB GLU 7 1HB GLU 7 7.087 6.149 -4.137
47 1HG GLU 7 2HG GLU 7 8.252 7.644 -5.435
48 2HG GLU 7 1HG GLU 7 6.786 8.598 -5.217
49 H VAL 8 H VAL 8 3.800 6.528 -1.863
50 HA VAL 8 HA VAL 8 2.867 4.780 -4.120
51 HB VAL 8 HB VAL 8 2.852 4.153 -1.153
52 1HG1 VAL 8 1HG1 VAL 8 1.721 2.299 -1.753
53 2HG1 VAL 8 2HG1 VAL 8 2.927 1.912 -2.980
54 3HG1 VAL 8 3HG1 VAL 8 1.574 2.972 -3.376
55 1HG2 VAL 8 1HG2 VAL 8 5.162 4.468 -2.224
56 2HG2 VAL 8 2HG2 VAL 8 4.776 3.061 -3.215
57 3HG2 VAL 8 3HG2 VAL 8 4.863 2.908 -1.459
58 H ILE 9 H ILE 9 0.544 4.455 -4.186
59 HA ILE 9 HA ILE 9 -1.090 6.062 -2.281
60 HB ILE 9 HB ILE 9 -0.457 7.518 -4.166
61 1HG1 ILE 9 2HG1 ILE 9 -3.057 7.444 -5.135
62 2HG1 ILE 9 1HG1 ILE 9 -3.204 6.700 -3.543
63 1HG2 ILE 9 1HG2 ILE 9 -0.619 6.891 -6.373
64 2HG2 ILE 9 2HG2 ILE 9 -2.021 5.861 -6.088
65 3HG2 ILE 9 3HG2 ILE 9 -0.407 5.288 -5.671
66 1HD1 ILE 9 1HD1 ILE 9 -3.235 9.386 -3.939
67 2HD1 ILE 9 2HD1 ILE 9 -1.511 9.131 -3.667
68 3HD1 ILE 9 3HD1 ILE 9 -2.681 8.634 -2.443
69 H CYS 10 H CYS 10 -2.340 4.357 -1.520
70 HA CYS 10 HA CYS 10 -3.760 2.682 -3.568
71 1HB CYS 10 2HB CYS 10 -2.685 2.073 -0.799
72 2HB CYS 10 1HB CYS 10 -3.779 0.987 -1.657
73 HA PRO 11 HA PRO 11 -7.485 4.158 -1.804
74 1HB PRO 11 2HB PRO 11 -9.133 1.983 -2.030
75 2HB PRO 11 1HB PRO 11 -8.638 2.985 -3.408
76 1HG PRO 11 2HG PRO 11 -7.652 0.329 -2.557
77 2HG PRO 11 1HG PRO 11 -7.838 0.997 -4.180
78 1HD PRO 11 2HD PRO 11 -5.438 0.791 -2.837
79 2HD PRO 11 1HD PRO 11 -5.759 1.920 -4.171
80 H ASP 12 H ASP 12 -8.818 4.063 0.099
81 HA ASP 12 HA ASP 12 -7.625 3.368 2.509
82 1HB ASP 12 2HB ASP 12 -9.904 4.584 1.689
83 2HB ASP 12 1HB ASP 12 -10.574 3.091 2.350
84 H GLY 13 H GLY 13 -9.165 1.188 0.272
85 1HA GLY 13 2HA GLY 13 -9.565 -0.890 2.323
86 2HA GLY 13 1HA GLY 13 -9.918 -1.055 0.601
87 H TYR 14 H TYR 14 -6.826 0.116 1.843
88 HA TYR 14 HA TYR 14 -5.572 -2.506 1.148
89 1HB TYR 14 2HB TYR 14 -5.235 0.187 -0.106
90 2HB TYR 14 1HB TYR 14 -3.806 -0.835 0.036
91 HD1 TYR 14 HD1 TYR 14 -3.414 -2.528 -1.535
92 HD2 TYR 14 HD2 TYR 14 -7.366 -0.913 -1.101
93 HE1 TYR 14 HE1 TYR 14 -4.167 -3.859 -3.487
94 HE2 TYR 14 HE2 TYR 14 -8.125 -2.245 -3.054
95 HH TYR 14 HH TYR 14 -6.701 -4.793 -4.205
96 H THR 15 H THR 15 -3.336 -2.654 1.964
97 HA THR 15 HA THR 15 -2.750 -0.792 4.239
98 HB THR 15 HB THR 15 -3.614 -2.806 5.192
99 HG1 THR 15 HG1 THR 15 -0.793 -3.033 5.018
100 1HG2 THR 15 1HG2 THR 15 -2.233 -4.980 4.319
101 2HG2 THR 15 2HG2 THR 15 -2.285 -4.016 2.843
102 3HG2 THR 15 3HG2 THR 15 -3.785 -4.475 3.650
103 H CYS 16 H CYS 16 -0.834 0.207 3.768
104 HA CYS 16 HA CYS 16 0.942 -0.443 1.686
105 1HB CYS 16 2HB CYS 16 0.696 1.396 3.843
106 2HB CYS 16 1HB CYS 16 2.340 0.758 3.889
107 H CYS 17 H CYS 17 2.484 -2.000 1.455
108 HA CYS 17 HA CYS 17 3.694 -3.247 3.877
109 1HB CYS 17 2HB CYS 17 1.610 -4.364 2.337
110 2HB CYS 17 1HB CYS 17 3.073 -5.214 1.836
111 HG CYS 17 HG CYS 17 2.214 -6.448 3.956
112 H ARG 18 H ARG 18 5.886 -3.478 3.552
113 HA ARG 18 HA ARG 18 7.046 -2.747 0.962
114 1HB ARG 18 2HB ARG 18 7.811 -3.036 3.763
115 2HB ARG 18 1HB ARG 18 9.041 -3.687 2.680
116 1HG ARG 18 2HG ARG 18 8.128 -1.246 1.539
117 2HG ARG 18 1HG ARG 18 8.447 -0.938 3.246
118 1HD ARG 18 2HD ARG 18 10.640 -2.409 2.663
119 2HD ARG 18 1HD ARG 18 10.350 -1.668 1.076
120 HE ARG 18 HE ARG 18 10.020 0.455 2.780
121 1HH1 ARG 18 2HH1 ARG 18 12.552 -0.884 1.192
122 2HH1 ARG 18 1HH1 ARG 18 13.792 -0.355 2.280
123 1HH2 ARG 18 1HH2 ARG 18 11.571 0.677 4.733
124 2HH2 ARG 18 2HH2 ARG 18 13.237 0.528 4.284
125 H LEU 19 H LEU 19 7.750 -4.180 -0.578
126 HA LEU 19 HA LEU 19 7.129 -6.968 -0.475
127 1HB LEU 19 2HB LEU 19 8.177 -5.005 -2.267
128 2HB LEU 19 1HB LEU 19 9.259 -6.397 -2.308
129 HG LEU 19 HG LEU 19 6.751 -7.568 -2.307
130 1HD1 LEU 19 1HD1 LEU 19 6.699 -5.170 -4.164
131 2HD1 LEU 19 2HD1 LEU 19 5.767 -5.295 -2.671
132 3HD1 LEU 19 3HD1 LEU 19 5.449 -6.404 -4.005
133 1HD2 LEU 19 1HD2 LEU 19 9.036 -7.575 -3.846
134 2HD2 LEU 19 2HD2 LEU 19 7.833 -6.955 -4.979
135 3HD2 LEU 19 3HD2 LEU 19 7.587 -8.517 -4.198
136 HA PRO 20 HA PRO 20 10.684 -8.643 1.503
137 1HB PRO 20 2HB PRO 20 10.955 -11.028 0.199
138 2HB PRO 20 1HB PRO 20 9.633 -10.695 1.335
139 1HG PRO 20 2HG PRO 20 9.605 -10.782 -1.619
140 2HG PRO 20 1HG PRO 20 8.326 -11.174 -0.462
141 1HD PRO 20 2HD PRO 20 8.527 -8.817 -1.940
142 2HD PRO 20 1HD PRO 20 7.505 -9.067 -0.509
143 H SER 21 H SER 21 11.401 -6.780 -0.610
144 HA SER 21 HA SER 21 14.115 -7.681 -1.154
145 1HB SER 21 2HB SER 21 11.941 -8.153 -3.044
146 2HB SER 21 1HB SER 21 13.235 -7.199 -3.760
147 HG SER 21 HG SER 21 13.291 -9.694 -3.629
148 H GLY 22 H GLY 22 12.603 -5.328 -0.039
149 1HA GLY 22 2HA GLY 22 13.051 -3.015 0.032
150 2HA GLY 22 1HA GLY 22 14.215 -3.248 -1.274
151 H ALA 23 H ALA 23 10.666 -3.511 -0.850
152 HA ALA 23 HA ALA 23 10.283 -1.657 -3.135
153 1HB ALA 23 1HB ALA 23 10.048 -4.576 -3.194
154 2HB ALA 23 2HB ALA 23 10.097 -3.433 -4.537
155 3HB ALA 23 3HB ALA 23 8.570 -3.770 -3.720
156 H TRP 24 H TRP 24 7.829 -1.266 -3.416
157 HA TRP 24 HA TRP 24 6.508 -1.383 -0.723
158 1HB TRP 24 2HB TRP 24 6.877 0.687 -2.815
159 2HB TRP 24 1HB TRP 24 5.276 0.639 -2.072
160 HD1 TRP 24 HD1 TRP 24 8.122 2.572 -1.634
161 HE1 TRP 24 HE1 TRP 24 8.592 3.208 0.820
162 HE3 TRP 24 HE3 TRP 24 5.216 -0.887 0.744
163 HZ2 TRP 24 HZ2 TRP 24 7.834 2.359 3.445
164 HZ3 TRP 24 HZ3 TRP 24 5.108 -0.953 3.217
165 HH2 TRP 24 HH2 TRP 24 6.413 0.665 4.571
166 H GLY 25 H GLY 25 4.276 -1.909 -0.677
167 1HA GLY 25 2HA GLY 25 2.678 -2.283 -3.044
168 2HA GLY 25 1HA GLY 25 3.293 -3.833 -2.464
169 H CYS 26 H CYS 26 0.643 -1.939 -2.287
170 HA CYS 26 HA CYS 26 0.103 -2.394 0.603
171 1HB CYS 26 2HB CYS 26 -1.865 -0.953 0.098
172 2HB CYS 26 1HB CYS 26 -0.353 -0.197 -0.403
173 H CYS 27 H CYS 27 -1.162 -4.089 1.257
174 HA CYS 27 HA CYS 27 -2.483 -5.749 -0.843
175 1HB CYS 27 2HB CYS 27 -0.953 -6.215 1.509
176 2HB CYS 27 1HB CYS 27 -2.576 -6.830 1.827
177 HG CYS 27 HG CYS 27 -1.010 -8.626 0.540
178 HA PRO 28 HA PRO 28 -6.458 -4.347 0.387
179 1HB PRO 28 2HB PRO 28 -7.952 -6.566 -0.195
180 2HB PRO 28 1HB PRO 28 -7.315 -5.471 -1.439
181 1HG PRO 28 2HG PRO 28 -6.260 -8.104 -0.518
182 2HG PRO 28 1HG PRO 28 -6.364 -7.442 -2.157
183 1HD PRO 28 2HD PRO 28 -4.058 -7.470 -0.734
184 2HD PRO 28 1HD PRO 28 -4.438 -6.207 -1.927
185 H PHE 29 H PHE 29 -7.805 -4.452 2.212
186 HA PHE 29 HA PHE 29 -6.888 -6.209 4.401
187 1HB PHE 29 2HB PHE 29 -7.720 -3.612 4.209
188 2HB PHE 29 1HB PHE 29 -9.205 -4.395 4.748
189 HD1 PHE 29 HD1 PHE 29 -6.428 -2.743 5.937
190 HD2 PHE 29 HD2 PHE 29 -8.615 -6.382 6.590
191 HE1 PHE 29 HE1 PHE 29 -5.527 -2.871 8.244
192 HE2 PHE 29 HE2 PHE 29 -7.713 -6.510 8.896
193 HZ PHE 29 HZ PHE 29 -6.169 -4.756 9.724
194 H THR 30 H THR 30 -7.844 -8.178 4.681
195 HA THR 30 HA THR 30 -10.781 -8.426 4.220
196 HB THR 30 HB THR 30 -9.488 -9.082 2.174
197 HG1 THR 30 HG1 THR 30 -10.944 -10.553 1.903
198 1HG2 THR 30 1HG2 THR 30 -7.956 -10.507 4.206
199 2HG2 THR 30 2HG2 THR 30 -7.514 -10.108 2.546
200 3HG2 THR 30 3HG2 THR 30 -8.448 -11.565 2.883
201 H GLN 31 H GLN 31 -9.225 -8.297 6.683
202 HA GLN 31 HA GLN 31 -9.155 -11.099 7.671
203 1HB GLN 31 2HB GLN 31 -7.823 -8.598 8.183
204 2HB GLN 31 1HB GLN 31 -8.552 -9.179 9.681
205 1HG GLN 31 2HG GLN 31 -6.782 -10.564 9.877
206 2HG GLN 31 1HG GLN 31 -7.451 -11.469 8.519
207 1HE2 GLN 31 1HE2 GLN 31 -7.025 -9.349 6.525
208 2HE2 GLN 31 2HE2 GLN 31 -5.349 -9.251 6.266
Start of MODEL 9
1 H VAL 1 H VAL 1 -8.584 9.541 -0.729
2 HA VAL 1 HA VAL 1 -7.321 7.402 -0.626
3 HB VAL 1 HB VAL 1 -5.143 8.234 -1.633
4 1HG1 VAL 1 1HG1 VAL 1 -7.665 9.584 -2.645
5 2HG1 VAL 1 2HG1 VAL 1 -7.231 7.903 -2.961
6 3HG1 VAL 1 3HG1 VAL 1 -6.229 9.209 -3.595
7 1HG2 VAL 1 1HG2 VAL 1 -6.390 10.875 -0.821
8 2HG2 VAL 1 2HG2 VAL 1 -5.119 10.747 -2.037
9 3HG2 VAL 1 3HG2 VAL 1 -4.800 10.255 -0.374
10 H VAL 2 H VAL 2 -4.967 6.642 0.049
11 HA VAL 2 HA VAL 2 -4.276 7.731 2.753
12 HB VAL 2 HB VAL 2 -4.866 4.891 1.883
13 1HG1 VAL 2 1HG1 VAL 2 -3.058 5.902 3.981
14 2HG1 VAL 2 2HG1 VAL 2 -3.150 4.298 3.252
15 3HG1 VAL 2 3HG1 VAL 2 -4.254 4.741 4.555
16 1HG2 VAL 2 1HG2 VAL 2 -6.237 6.973 3.387
17 2HG2 VAL 2 2HG2 VAL 2 -6.038 5.513 4.356
18 3HG2 VAL 2 3HG2 VAL 2 -6.860 5.431 2.798
19 H HIS 3 H HIS 3 -2.490 8.715 1.434
20 HA HIS 3 HA HIS 3 -0.608 7.485 -0.172
21 1HB HIS 3 2HB HIS 3 1.014 9.093 1.095
22 2HB HIS 3 1HB HIS 3 -0.374 9.789 0.262
23 HD1 HIS 3 HD1 HIS 3 -0.678 7.974 3.556
24 HD2 HIS 3 HD2 HIS 3 -0.777 11.885 2.115
25 HE1 HIS 3 HE1 HIS 3 -1.484 9.423 5.471
26 H CYS 4 H CYS 4 0.321 5.502 0.152
27 HA CYS 4 HA CYS 4 0.792 4.364 2.785
28 1HB CYS 4 2HB CYS 4 1.229 3.691 -0.089
29 2HB CYS 4 1HB CYS 4 2.207 2.817 1.092
30 H ASP 5 H ASP 5 2.621 6.332 0.566
31 HA ASP 5 HA ASP 5 4.788 6.632 2.529
32 1HB ASP 5 2HB ASP 5 6.503 5.712 1.066
33 2HB ASP 5 1HB ASP 5 5.233 4.501 1.248
34 H MET 6 H MET 6 6.435 7.377 -0.060
35 HA MET 6 HA MET 6 5.645 10.192 -0.055
36 1HB MET 6 2HB MET 6 7.975 9.631 -0.130
37 2HB MET 6 1HB MET 6 7.729 8.510 -1.469
38 1HG MET 6 2HG MET 6 6.712 11.075 -2.241
39 2HG MET 6 1HG MET 6 8.345 11.288 -1.608
40 1HE MET 6 1HE MET 6 8.085 11.010 -5.673
41 2HE MET 6 2HE MET 6 8.325 12.161 -4.360
42 3HE MET 6 3HE MET 6 6.753 11.394 -4.574
43 H GLU 7 H GLU 7 5.597 7.511 -2.414
44 HA GLU 7 HA GLU 7 3.766 9.167 -4.124
45 1HB GLU 7 2HB GLU 7 5.923 8.848 -5.177
46 2HB GLU 7 1HB GLU 7 5.906 7.126 -4.799
47 1HG GLU 7 2HG GLU 7 5.129 6.962 -6.947
48 2HG GLU 7 1HG GLU 7 3.582 7.310 -6.175
49 H VAL 8 H VAL 8 4.708 5.733 -3.692
50 HA VAL 8 HA VAL 8 2.478 4.432 -4.653
51 HB VAL 8 HB VAL 8 4.561 3.997 -2.624
52 1HG1 VAL 8 1HG1 VAL 8 2.859 3.357 -1.097
53 2HG1 VAL 8 2HG1 VAL 8 3.392 1.844 -1.827
54 3HG1 VAL 8 3HG1 VAL 8 1.893 2.601 -2.363
55 1HG2 VAL 8 1HG2 VAL 8 3.641 2.943 -5.127
56 2HG2 VAL 8 2HG2 VAL 8 3.753 1.621 -3.966
57 3HG2 VAL 8 3HG2 VAL 8 5.165 2.625 -4.298
58 H ILE 9 H ILE 9 0.324 4.528 -4.192
59 HA ILE 9 HA ILE 9 -0.591 5.008 -1.415
60 HB ILE 9 HB ILE 9 -0.287 7.248 -2.329
61 1HG1 ILE 9 2HG1 ILE 9 -3.237 6.654 -2.602
62 2HG1 ILE 9 1HG1 ILE 9 -2.425 6.586 -1.038
63 1HG2 ILE 9 1HG2 ILE 9 -1.946 7.673 -4.400
64 2HG2 ILE 9 2HG2 ILE 9 -1.559 5.979 -4.707
65 3HG2 ILE 9 3HG2 ILE 9 -0.268 7.178 -4.628
66 1HD1 ILE 9 1HD1 ILE 9 -3.054 8.804 -1.017
67 2HD1 ILE 9 2HD1 ILE 9 -2.998 8.945 -2.774
68 3HD1 ILE 9 3HD1 ILE 9 -1.502 8.964 -1.840
69 H CYS 10 H CYS 10 -2.670 4.130 -1.073
70 HA CYS 10 HA CYS 10 -3.826 2.634 -3.396
71 1HB CYS 10 2HB CYS 10 -3.159 2.029 -0.668
72 2HB CYS 10 1HB CYS 10 -4.897 1.817 -0.887
73 HA PRO 11 HA PRO 11 -7.499 5.027 -3.088
74 1HB PRO 11 2HB PRO 11 -9.348 3.227 -3.979
75 2HB PRO 11 1HB PRO 11 -8.152 3.989 -5.046
76 1HG PRO 11 2HG PRO 11 -8.203 1.254 -3.912
77 2HG PRO 11 1HG PRO 11 -7.565 1.828 -5.458
78 1HD PRO 11 2HD PRO 11 -6.049 1.226 -3.209
79 2HD PRO 11 1HD PRO 11 -5.508 2.205 -4.588
80 H ASP 12 H ASP 12 -6.773 3.873 -0.531
81 HA ASP 12 HA ASP 12 -7.768 3.489 1.559
82 1HB ASP 12 2HB ASP 12 -10.367 4.009 0.105
83 2HB ASP 12 1HB ASP 12 -9.991 4.320 1.800
84 H GLY 13 H GLY 13 -8.369 1.641 2.566
85 1HA GLY 13 2HA GLY 13 -9.713 -0.368 2.831
86 2HA GLY 13 1HA GLY 13 -9.995 -0.366 1.089
87 H TYR 14 H TYR 14 -6.781 0.355 1.580
88 HA TYR 14 HA TYR 14 -5.998 -2.537 1.378
89 1HB TYR 14 2HB TYR 14 -5.075 -0.073 -0.125
90 2HB TYR 14 1HB TYR 14 -4.210 -1.608 -0.184
91 HD1 TYR 14 HD1 TYR 14 -5.432 -3.679 -0.988
92 HD2 TYR 14 HD2 TYR 14 -7.037 0.283 -1.424
93 HE1 TYR 14 HE1 TYR 14 -7.002 -4.507 -2.721
94 HE2 TYR 14 HE2 TYR 14 -8.607 -0.545 -3.156
95 HH TYR 14 HH TYR 14 -9.665 -2.767 -3.769
96 H THR 15 H THR 15 -3.670 -2.888 2.013
97 HA THR 15 HA THR 15 -2.867 -0.986 4.189
98 HB THR 15 HB THR 15 -3.644 -3.312 4.798
99 HG1 THR 15 HG1 THR 15 -2.323 -2.436 6.269
100 1HG2 THR 15 1HG2 THR 15 -2.762 -5.147 3.818
101 2HG2 THR 15 2HG2 THR 15 -1.115 -4.545 4.001
102 3HG2 THR 15 3HG2 THR 15 -2.088 -4.044 2.619
103 H CYS 16 H CYS 16 -0.708 -0.316 4.243
104 HA CYS 16 HA CYS 16 0.817 -0.513 1.762
105 1HB CYS 16 2HB CYS 16 1.654 0.588 4.458
106 2HB CYS 16 1HB CYS 16 2.243 1.078 2.870
107 H CYS 17 H CYS 17 1.609 -2.626 1.462
108 HA CYS 17 HA CYS 17 3.190 -3.821 3.706
109 1HB CYS 17 2HB CYS 17 1.300 -4.778 1.731
110 2HB CYS 17 1HB CYS 17 2.821 -5.659 1.595
111 HG CYS 17 HG CYS 17 1.214 -6.732 3.465
112 H ARG 18 H ARG 18 5.388 -4.014 3.441
113 HA ARG 18 HA ARG 18 6.583 -3.061 0.896
114 1HB ARG 18 2HB ARG 18 7.207 -3.108 3.735
115 2HB ARG 18 1HB ARG 18 8.562 -3.717 2.784
116 1HG ARG 18 2HG ARG 18 7.501 -1.444 1.424
117 2HG ARG 18 1HG ARG 18 7.719 -1.005 3.119
118 1HD ARG 18 2HD ARG 18 10.057 -2.185 2.846
119 2HD ARG 18 1HD ARG 18 9.785 -1.886 1.117
120 HE ARG 18 HE ARG 18 9.364 0.379 2.992
121 1HH1 ARG 18 1HH2 ARG 18 9.868 -0.053 -0.158
122 2HH1 ARG 18 2HH2 ARG 18 11.342 0.847 -0.296
123 1HH2 ARG 18 2HH1 ARG 18 11.847 1.053 3.129
124 2HH2 ARG 18 1HH1 ARG 18 12.463 1.471 1.566
125 H LEU 19 H LEU 19 7.956 -4.379 -0.369
126 HA LEU 19 HA LEU 19 7.532 -7.269 -0.146
127 1HB LEU 19 2HB LEU 19 8.244 -5.300 -2.094
128 2HB LEU 19 1HB LEU 19 9.510 -6.531 -2.078
129 HG LEU 19 HG LEU 19 7.370 -8.149 -1.985
130 1HD1 LEU 19 1HD1 LEU 19 6.444 -5.548 -3.195
131 2HD1 LEU 19 2HD1 LEU 19 5.610 -6.584 -2.037
132 3HD1 LEU 19 3HD1 LEU 19 5.752 -7.082 -3.723
133 1HD2 LEU 19 1HD2 LEU 19 7.974 -8.715 -4.129
134 2HD2 LEU 19 2HD2 LEU 19 9.318 -7.628 -3.779
135 3HD2 LEU 19 3HD2 LEU 19 7.927 -7.045 -4.694
136 HA PRO 20 HA PRO 20 11.264 -8.319 1.900
137 1HB PRO 20 2HB PRO 20 12.056 -10.575 0.573
138 2HB PRO 20 1HB PRO 20 10.661 -10.536 1.668
139 1HG PRO 20 2HG PRO 20 10.737 -10.476 -1.302
140 2HG PRO 20 1HG PRO 20 9.583 -11.264 -0.216
141 1HD PRO 20 2HD PRO 20 9.103 -8.900 -1.520
142 2HD PRO 20 1HD PRO 20 8.304 -9.388 -0.011
143 H SER 21 H SER 21 11.317 -7.094 -1.191
144 HA SER 21 HA SER 21 14.314 -7.221 -1.339
145 1HB SER 21 2HB SER 21 12.912 -6.456 -3.779
146 2HB SER 21 1HB SER 21 14.058 -7.767 -3.521
147 HG SER 21 HG SER 21 11.317 -7.784 -3.558
148 H GLY 22 H GLY 22 12.641 -5.260 0.162
149 1HA GLY 22 2HA GLY 22 12.670 -2.939 0.523
150 2HA GLY 22 1HA GLY 22 13.956 -2.846 -0.682
151 H ALA 23 H ALA 23 10.639 -4.059 -1.094
152 HA ALA 23 HA ALA 23 10.219 -1.902 -3.141
153 1HB ALA 23 1HB ALA 23 9.799 -4.849 -3.072
154 2HB ALA 23 2HB ALA 23 10.262 -3.815 -4.424
155 3HB ALA 23 3HB ALA 23 8.576 -3.901 -3.917
156 H TRP 24 H TRP 24 7.650 -1.876 -3.597
157 HA TRP 24 HA TRP 24 6.261 -1.817 -0.936
158 1HB TRP 24 2HB TRP 24 6.729 0.221 -3.031
159 2HB TRP 24 1HB TRP 24 5.081 0.162 -2.407
160 HD1 TRP 24 HD1 TRP 24 8.078 1.949 -1.764
161 HE1 TRP 24 HE1 TRP 24 8.282 2.707 0.692
162 HE3 TRP 24 HE3 TRP 24 4.534 -1.038 0.379
163 HZ2 TRP 24 HZ2 TRP 24 7.098 2.122 3.230
164 HZ3 TRP 24 HZ3 TRP 24 4.094 -0.919 2.814
165 HH2 TRP 24 HH2 TRP 24 5.369 0.656 4.241
166 H GLY 25 H GLY 25 4.025 -2.368 -1.004
167 1HA GLY 25 2HA GLY 25 2.690 -2.929 -3.540
168 2HA GLY 25 1HA GLY 25 3.113 -4.386 -2.636
169 H CYS 26 H CYS 26 0.437 -3.080 -3.239
170 HA CYS 26 HA CYS 26 -0.514 -2.369 -0.515
171 1HB CYS 26 2HB CYS 26 -1.166 -1.761 -3.243
172 2HB CYS 26 1HB CYS 26 -2.587 -2.469 -2.474
173 H CYS 27 H CYS 27 -1.641 -3.829 0.741
174 HA CYS 27 HA CYS 27 -2.516 -6.389 -0.568
175 1HB CYS 27 2HB CYS 27 -1.123 -5.730 2.016
176 2HB CYS 27 1HB CYS 27 -2.082 -7.205 1.895
177 HG CYS 27 HG CYS 27 0.078 -6.735 -0.288
178 HA PRO 28 HA PRO 28 -6.508 -5.329 0.968
179 1HB PRO 28 2HB PRO 28 -7.666 -7.808 0.856
180 2HB PRO 28 1HB PRO 28 -7.349 -6.823 -0.587
181 1HG PRO 28 2HG PRO 28 -5.830 -9.137 0.499
182 2HG PRO 28 1HG PRO 28 -6.155 -8.686 -1.181
183 1HD PRO 28 2HD PRO 28 -3.771 -8.239 0.093
184 2HD PRO 28 1HD PRO 28 -4.357 -7.282 -1.285
185 H PHE 29 H PHE 29 -7.725 -5.532 2.943
186 HA PHE 29 HA PHE 29 -6.930 -7.548 4.941
187 1HB PHE 29 2HB PHE 29 -5.403 -5.305 4.738
188 2HB PHE 29 1HB PHE 29 -6.627 -4.750 5.881
189 HD1 PHE 29 HD1 PHE 29 -5.915 -4.937 8.089
190 HD2 PHE 29 HD2 PHE 29 -4.860 -8.012 5.282
191 HE1 PHE 29 HE1 PHE 29 -4.803 -6.211 9.902
192 HE2 PHE 29 HE2 PHE 29 -3.747 -9.286 7.094
193 HZ PHE 29 HZ PHE 29 -3.719 -8.386 9.405
194 H THR 30 H THR 30 -9.437 -7.303 3.905
195 HA THR 30 HA THR 30 -10.989 -5.739 5.942
196 HB THR 30 HB THR 30 -11.207 -5.126 3.518
197 HG1 THR 30 HG1 THR 30 -13.647 -5.801 3.611
198 1HG2 THR 30 1HG2 THR 30 -11.215 -6.819 2.036
199 2HG2 THR 30 2HG2 THR 30 -12.853 -7.191 2.572
200 3HG2 THR 30 3HG2 THR 30 -11.476 -8.006 3.315
201 H GLN 31 H GLN 31 -9.849 -8.483 6.268
202 HA GLN 31 HA GLN 31 -11.805 -10.522 5.904
203 1HB GLN 31 2HB GLN 31 -9.740 -10.187 8.105
204 2HB GLN 31 1HB GLN 31 -10.439 -11.711 7.551
205 1HG GLN 31 2HG GLN 31 -9.213 -10.025 5.443
206 2HG GLN 31 1HG GLN 31 -8.090 -10.722 6.610
207 1HE2 GLN 31 1HE2 GLN 31 -10.127 -11.435 3.881
208 2HE2 GLN 31 2HE2 GLN 31 -9.835 -13.107 3.838
Start of MODEL 10
1 H VAL 1 H VAL 1 -6.727 10.641 0.385
2 HA VAL 1 HA VAL 1 -6.184 8.378 -0.032
3 HB VAL 1 HB VAL 1 -3.978 8.189 -1.343
4 1HG1 VAL 1 1HG1 VAL 1 -5.911 10.290 -2.352
5 2HG1 VAL 1 2HG1 VAL 1 -6.293 8.568 -2.316
6 3HG1 VAL 1 3HG1 VAL 1 -4.959 9.156 -3.311
7 1HG2 VAL 1 1HG2 VAL 1 -2.945 10.196 -0.264
8 2HG2 VAL 1 2HG2 VAL 1 -4.130 11.210 -1.087
9 3HG2 VAL 1 3HG2 VAL 1 -2.947 10.298 -2.025
10 H VAL 2 H VAL 2 -4.429 6.675 0.500
11 HA VAL 2 HA VAL 2 -3.219 7.366 3.144
12 HB VAL 2 HB VAL 2 -3.793 4.681 1.848
13 1HG1 VAL 2 1HG1 VAL 2 -3.506 5.305 4.787
14 2HG1 VAL 2 2HG1 VAL 2 -2.100 4.923 3.792
15 3HG1 VAL 2 3HG1 VAL 2 -3.394 3.740 3.981
16 1HG2 VAL 2 1HG2 VAL 2 -5.797 6.232 2.251
17 2HG2 VAL 2 2HG2 VAL 2 -5.435 6.077 3.971
18 3HG2 VAL 2 3HG2 VAL 2 -5.867 4.651 3.028
19 H HIS 3 H HIS 3 -1.682 8.394 1.201
20 HA HIS 3 HA HIS 3 0.134 6.898 -0.276
21 1HB HIS 3 2HB HIS 3 1.518 8.851 -0.142
22 2HB HIS 3 1HB HIS 3 -0.141 9.427 0.022
23 HD1 HIS 3 HD1 HIS 3 -0.617 8.692 2.999
24 HD2 HIS 3 HD2 HIS 3 2.811 10.609 1.599
25 HE1 HIS 3 HE1 HIS 3 0.380 9.913 4.980
26 H CYS 4 H CYS 4 1.670 5.392 0.252
27 HA CYS 4 HA CYS 4 2.214 4.762 3.068
28 1HB CYS 4 2HB CYS 4 3.443 3.672 0.516
29 2HB CYS 4 1HB CYS 4 3.395 2.878 2.090
30 H ASP 5 H ASP 5 3.873 6.259 0.331
31 HA ASP 5 HA ASP 5 5.945 7.303 2.204
32 1HB ASP 5 2HB ASP 5 6.516 5.050 1.001
33 2HB ASP 5 1HB ASP 5 6.721 6.061 -0.430
34 H MET 6 H MET 6 5.267 7.163 -1.315
35 HA MET 6 HA MET 6 4.538 9.941 -1.545
36 1HB MET 6 2HB MET 6 6.691 10.678 -2.622
37 2HB MET 6 1HB MET 6 6.869 10.281 -0.913
38 1HG MET 6 2HG MET 6 7.785 8.106 -1.445
39 2HG MET 6 1HG MET 6 7.434 8.328 -3.159
40 1HE MET 6 1HE MET 6 8.520 11.731 -3.312
41 2HE MET 6 2HE MET 6 7.978 10.384 -4.309
42 3HE MET 6 3HE MET 6 9.640 10.958 -4.443
43 H GLU 7 H GLU 7 6.014 7.110 -3.091
44 HA GLU 7 HA GLU 7 4.679 7.840 -5.668
45 1HB GLU 7 2HB GLU 7 7.234 7.294 -5.272
46 2HB GLU 7 1HB GLU 7 6.673 5.622 -5.291
47 1HG GLU 7 2HG GLU 7 6.033 5.714 -7.514
48 2HG GLU 7 1HG GLU 7 5.734 7.451 -7.464
49 H VAL 8 H VAL 8 5.291 5.011 -3.547
50 HA VAL 8 HA VAL 8 3.128 3.487 -4.854
51 HB VAL 8 HB VAL 8 4.523 2.653 -2.328
52 1HG1 VAL 8 1HG1 VAL 8 4.649 0.552 -3.980
53 2HG1 VAL 8 2HG1 VAL 8 3.313 1.404 -4.753
54 3HG1 VAL 8 3HG1 VAL 8 3.190 0.922 -3.062
55 1HG2 VAL 8 1HG2 VAL 8 6.343 1.764 -4.023
56 2HG2 VAL 8 2HG2 VAL 8 6.466 3.404 -3.387
57 3HG2 VAL 8 3HG2 VAL 8 5.811 3.132 -5.002
58 H ILE 9 H ILE 9 1.105 4.292 -4.285
59 HA ILE 9 HA ILE 9 0.557 4.607 -1.349
60 HB ILE 9 HB ILE 9 0.538 6.751 -2.398
61 1HG1 ILE 9 2HG1 ILE 9 -1.616 5.851 -1.087
62 2HG1 ILE 9 1HG1 ILE 9 -1.572 7.466 -1.785
63 1HG2 ILE 9 1HG2 ILE 9 -1.095 5.438 -4.588
64 2HG2 ILE 9 2HG2 ILE 9 0.561 6.030 -4.721
65 3HG2 ILE 9 3HG2 ILE 9 -0.767 7.168 -4.489
66 1HD1 ILE 9 1HD1 ILE 9 -2.816 4.994 -3.030
67 2HD1 ILE 9 2HD1 ILE 9 -2.663 6.546 -3.850
68 3HD1 ILE 9 3HD1 ILE 9 -3.669 6.406 -2.410
69 H CYS 10 H CYS 10 -1.684 4.030 -0.730
70 HA CYS 10 HA CYS 10 -2.960 2.089 -2.636
71 1HB CYS 10 2HB CYS 10 -2.909 2.077 0.400
72 2HB CYS 10 1HB CYS 10 -3.550 0.805 -0.640
73 HA PRO 11 HA PRO 11 -6.575 4.539 -2.079
74 1HB PRO 11 2HB PRO 11 -8.483 2.737 -2.840
75 2HB PRO 11 1HB PRO 11 -7.377 3.525 -3.980
76 1HG PRO 11 2HG PRO 11 -7.380 0.764 -2.975
77 2HG PRO 11 1HG PRO 11 -6.730 1.419 -4.480
78 1HD PRO 11 2HD PRO 11 -5.270 0.723 -2.164
79 2HD PRO 11 1HD PRO 11 -4.664 1.578 -3.597
80 H ASP 12 H ASP 12 -5.608 3.084 0.357
81 HA ASP 12 HA ASP 12 -6.428 2.765 2.548
82 1HB ASP 12 2HB ASP 12 -7.875 4.718 1.538
83 2HB ASP 12 1HB ASP 12 -9.153 3.503 1.520
84 H GLY 13 H GLY 13 -9.012 1.780 0.257
85 1HA GLY 13 2HA GLY 13 -10.183 -0.275 1.676
86 2HA GLY 13 1HA GLY 13 -9.968 -0.349 -0.072
87 H TYR 14 H TYR 14 -6.941 -0.256 0.371
88 HA TYR 14 HA TYR 14 -6.666 -3.158 1.067
89 1HB TYR 14 2HB TYR 14 -4.950 -1.364 -0.678
90 2HB TYR 14 1HB TYR 14 -4.811 -3.116 -0.524
91 HD1 TYR 14 HD1 TYR 14 -7.264 -0.439 -1.439
92 HD2 TYR 14 HD2 TYR 14 -6.011 -4.513 -1.973
93 HE1 TYR 14 HE1 TYR 14 -8.971 -0.732 -3.215
94 HE2 TYR 14 HE2 TYR 14 -7.715 -4.805 -3.752
95 HH TYR 14 HH TYR 14 -9.135 -2.423 -5.343
96 H THR 15 H THR 15 -4.337 -3.661 1.804
97 HA THR 15 HA THR 15 -3.521 -1.678 3.888
98 HB THR 15 HB THR 15 -2.843 -3.567 5.146
99 HG1 THR 15 HG1 THR 15 -2.548 -5.608 4.106
100 1HG2 THR 15 1HG2 THR 15 -4.733 -5.006 5.206
101 2HG2 THR 15 2HG2 THR 15 -5.048 -4.793 3.484
102 3HG2 THR 15 3HG2 THR 15 -5.353 -3.467 4.607
103 H CYS 16 H CYS 16 -1.449 -0.794 3.726
104 HA CYS 16 HA CYS 16 0.106 -1.448 1.306
105 1HB CYS 16 2HB CYS 16 -0.490 0.857 2.401
106 2HB CYS 16 1HB CYS 16 0.894 0.515 3.441
107 H CYS 17 H CYS 17 1.296 -3.322 1.564
108 HA CYS 17 HA CYS 17 2.923 -3.637 4.058
109 1HB CYS 17 2HB CYS 17 2.997 -5.997 3.383
110 2HB CYS 17 1HB CYS 17 1.324 -5.437 3.369
111 HG CYS 17 HG CYS 17 2.451 -6.693 1.049
112 H ARG 18 H ARG 18 5.185 -3.645 3.861
113 HA ARG 18 HA ARG 18 6.322 -2.615 1.383
114 1HB ARG 18 2HB ARG 18 6.914 -2.473 4.039
115 2HB ARG 18 1HB ARG 18 8.087 -3.679 3.503
116 1HG ARG 18 2HG ARG 18 8.941 -2.180 1.799
117 2HG ARG 18 1HG ARG 18 7.677 -1.000 2.143
118 1HD ARG 18 2HD ARG 18 8.610 -0.955 4.552
119 2HD ARG 18 1HD ARG 18 10.035 -1.768 3.874
120 HE ARG 18 HE ARG 18 9.051 0.700 2.535
121 1HH1 ARG 18 1HH2 ARG 18 10.642 0.739 5.268
122 2HH1 ARG 18 2HH2 ARG 18 12.212 1.151 4.664
123 1HH2 ARG 18 2HH1 ARG 18 11.410 0.476 1.359
124 2HH2 ARG 18 1HH1 ARG 18 12.647 1.002 2.451
125 H LEU 19 H LEU 19 7.436 -3.742 -0.172
126 HA LEU 19 HA LEU 19 7.215 -6.636 -0.291
127 1HB LEU 19 2HB LEU 19 7.811 -4.381 -1.967
128 2HB LEU 19 1HB LEU 19 9.084 -5.585 -2.175
129 HG LEU 19 HG LEU 19 7.018 -7.253 -2.270
130 1HD1 LEU 19 1HD1 LEU 19 5.215 -5.767 -1.877
131 2HD1 LEU 19 2HD1 LEU 19 5.199 -6.011 -3.624
132 3HD1 LEU 19 3HD1 LEU 19 5.888 -4.535 -2.945
133 1HD2 LEU 19 1HD2 LEU 19 7.146 -5.795 -4.807
134 2HD2 LEU 19 2HD2 LEU 19 7.658 -7.441 -4.436
135 3HD2 LEU 19 3HD2 LEU 19 8.742 -6.088 -4.115
136 HA PRO 20 HA PRO 20 11.142 -7.865 1.252
137 1HB PRO 20 2HB PRO 20 12.223 -9.440 -0.708
138 2HB PRO 20 1HB PRO 20 10.848 -9.949 0.293
139 1HG PRO 20 2HG PRO 20 10.875 -8.892 -2.488
140 2HG PRO 20 1HG PRO 20 9.872 -10.163 -1.772
141 1HD PRO 20 2HD PRO 20 8.995 -7.615 -2.223
142 2HD PRO 20 1HD PRO 20 8.341 -8.674 -0.955
143 H SER 21 H SER 21 11.027 -5.983 -1.606
144 HA SER 21 HA SER 21 13.983 -5.505 -1.537
145 1HB SER 21 2HB SER 21 13.041 -6.238 -3.678
146 2HB SER 21 1HB SER 21 11.841 -4.951 -3.616
147 HG SER 21 HG SER 21 13.822 -4.562 -4.891
148 H GLY 22 H GLY 22 11.908 -4.346 0.328
149 1HA GLY 22 2HA GLY 22 11.671 -2.255 1.386
150 2HA GLY 22 1HA GLY 22 12.851 -1.604 0.247
151 H ALA 23 H ALA 23 10.314 -3.238 -1.315
152 HA ALA 23 HA ALA 23 9.267 -0.698 -2.380
153 1HB ALA 23 1HB ALA 23 7.787 -2.705 -3.488
154 2HB ALA 23 2HB ALA 23 9.227 -3.597 -2.996
155 3HB ALA 23 3HB ALA 23 9.373 -2.221 -4.090
156 H TRP 24 H TRP 24 6.645 -1.055 -2.774
157 HA TRP 24 HA TRP 24 5.416 -1.767 -0.142
158 1HB TRP 24 2HB TRP 24 5.471 0.830 -1.631
159 2HB TRP 24 1HB TRP 24 4.014 0.420 -0.727
160 HD1 TRP 24 HD1 TRP 24 7.146 2.145 -0.277
161 HE1 TRP 24 HE1 TRP 24 7.800 2.313 2.209
162 HE3 TRP 24 HE3 TRP 24 3.953 -1.309 1.714
163 HZ2 TRP 24 HZ2 TRP 24 7.068 1.139 4.713
164 HZ3 TRP 24 HZ3 TRP 24 3.951 -1.762 4.149
165 HH2 TRP 24 HH2 TRP 24 5.504 -0.545 5.651
166 H GLY 25 H GLY 25 3.261 -2.540 -0.338
167 1HA GLY 25 2HA GLY 25 2.049 -2.554 -3.050
168 2HA GLY 25 1HA GLY 25 2.337 -4.109 -2.269
169 H CYS 26 H CYS 26 -0.251 -2.899 -2.995
170 HA CYS 26 HA CYS 26 -1.443 -2.446 -0.284
171 1HB CYS 26 2HB CYS 26 -2.715 -1.965 -2.987
172 2HB CYS 26 1HB CYS 26 -3.145 -1.238 -1.440
173 H CYS 27 H CYS 27 -2.063 -4.458 0.494
174 HA CYS 27 HA CYS 27 -3.291 -6.421 -1.380
175 1HB CYS 27 2HB CYS 27 -1.750 -6.433 1.107
176 2HB CYS 27 1HB CYS 27 -3.143 -7.515 1.174
177 HG CYS 27 HG CYS 27 -2.173 -8.923 -0.695
178 HA PRO 28 HA PRO 28 -7.256 -5.145 0.136
179 1HB PRO 28 2HB PRO 28 -8.723 -7.154 -0.998
180 2HB PRO 28 1HB PRO 28 -8.098 -5.771 -1.916
181 1HG PRO 28 2HG PRO 28 -7.056 -8.549 -1.736
182 2HG PRO 28 1HG PRO 28 -7.118 -7.453 -3.125
183 1HD PRO 28 2HD PRO 28 -4.860 -7.931 -1.659
184 2HD PRO 28 1HD PRO 28 -5.153 -6.432 -2.569
185 H PHE 29 H PHE 29 -8.693 -5.802 1.809
186 HA PHE 29 HA PHE 29 -7.914 -8.329 3.230
187 1HB PHE 29 2HB PHE 29 -7.594 -5.810 4.096
188 2HB PHE 29 1HB PHE 29 -9.270 -6.043 4.594
189 HD1 PHE 29 HD1 PHE 29 -5.851 -7.513 4.843
190 HD2 PHE 29 HD2 PHE 29 -9.814 -7.352 6.492
191 HE1 PHE 29 HE1 PHE 29 -5.088 -8.829 6.803
192 HE2 PHE 29 HE2 PHE 29 -9.053 -8.668 8.452
193 HZ PHE 29 HZ PHE 29 -6.690 -9.406 8.606
194 H THR 30 H THR 30 -9.535 -9.721 2.424
195 HA THR 30 HA THR 30 -12.315 -9.058 3.268
196 HB THR 30 HB THR 30 -12.079 -8.353 0.931
197 HG1 THR 30 HG1 THR 30 -13.555 -10.630 1.580
198 1HG2 THR 30 1HG2 THR 30 -10.680 -9.434 -0.452
199 2HG2 THR 30 2HG2 THR 30 -11.682 -10.882 -0.347
200 3HG2 THR 30 3HG2 THR 30 -10.372 -10.631 0.806
201 H GLN 31 H GLN 31 -12.380 -10.723 4.806
202 HA GLN 31 HA GLN 31 -11.626 -13.477 3.913
203 1HB GLN 31 2HB GLN 31 -12.315 -12.586 6.716
204 2HB GLN 31 1HB GLN 31 -11.274 -13.917 6.214
205 1HG GLN 31 2HG GLN 31 -10.694 -10.953 6.103
206 2HG GLN 31 1HG GLN 31 -9.783 -12.211 6.939
207 1HE2 GLN 31 1HE2 GLN 31 -9.471 -14.159 4.972
208 2HE2 GLN 31 2HE2 GLN 31 -8.604 -13.527 3.657