Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
530030 | 2la0 RC | 17495 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 1HA GLY 1 3.058 -0.400 -1.067
3 HA3 GLY 1 2HA GLY 1 1.560 -0.632 -1.957
4 H TRP 2 HN TRP 2 3.077 0.644 -3.478
5 HA TRP 2 HA TRP 2 3.337 3.452 -2.985
6 HB2 TRP 2 1HB TRP 2 4.156 3.571 -5.291
7 HB3 TRP 2 2HB TRP 2 4.922 2.243 -4.423
8 HD1 TRP 2 HD1 TRP 2 2.432 2.933 -7.248
9 HE1 TRP 2 HE1 TRP 2 2.124 0.775 -8.617
10 HE3 TRP 2 HE3 TRP 2 5.052 -0.296 -4.273
11 HZ2 TRP 2 HZ2 TRP 2 2.890 -1.937 -8.456
12 HZ3 TRP 2 HZ3 TRP 2 5.216 -2.655 -4.952
13 HH2 TRP 2 HH2 TRP 2 4.156 -3.457 -7.000
14 H VAL 3 HN VAL 3 0.950 1.399 -4.450
15 HA VAL 3 HA VAL 3 -0.400 3.285 -6.033
16 HB VAL 3 HB VAL 3 -1.618 0.930 -4.585
17 HG11 VAL 3 1HG1 VAL 3 -3.018 1.090 -6.832
18 HG12 VAL 3 2HG1 VAL 3 -3.457 2.009 -5.391
19 HG13 VAL 3 3HG1 VAL 3 -2.565 2.789 -6.698
20 HG21 VAL 3 3HG2 VAL 3 -1.231 -0.250 -6.764
21 HG22 VAL 3 1HG2 VAL 3 -0.210 1.107 -7.242
22 HG23 VAL 3 2HG2 VAL 3 0.233 0.117 -5.851
23 H ALA 4 HN ALA 4 -0.377 2.733 -2.607
24 HA ALA 4 HA ALA 4 -2.802 4.151 -2.043
25 HB1 ALA 4 1HB ALA 4 -0.755 3.914 0.072
26 HB2 ALA 4 2HB ALA 4 -2.479 3.540 0.108
27 HB3 ALA 4 3HB ALA 4 -1.345 2.404 -0.622
28 H CYS 5 HN CYS 5 0.608 4.969 -2.231
29 HA CYS 5 HA CYS 5 0.418 7.530 -1.035
30 HB2 CYS 5 1HB CYS 5 2.555 6.342 -1.275
31 HB3 CYS 5 2HB CYS 5 2.439 6.480 -3.027
32 H VAL 6 HN VAL 6 0.502 6.500 -4.441
33 HA VAL 6 HA VAL 6 0.249 9.045 -5.582
34 HB VAL 6 HB VAL 6 0.900 7.110 -6.909
35 HG11 VAL 6 1HG1 VAL 6 -1.953 6.175 -6.614
36 HG12 VAL 6 2HG1 VAL 6 -0.679 5.392 -7.552
37 HG13 VAL 6 3HG1 VAL 6 -0.563 5.466 -5.793
38 HG21 VAL 6 3HG2 VAL 6 -1.708 8.065 -8.045
39 HG22 VAL 6 1HG2 VAL 6 -0.319 9.140 -7.888
40 HG23 VAL 6 2HG2 VAL 6 -0.205 7.691 -8.888
41 H GLY 7 HN GLY 7 -2.113 6.911 -4.167
42 HA2 GLY 7 1HA GLY 7 -4.376 8.328 -5.282
43 HA3 GLY 7 2HA GLY 7 -4.435 7.021 -4.109
44 H ALA 8 HN ALA 8 -2.595 8.290 -2.255
45 HA ALA 8 HA ALA 8 -4.470 9.778 -0.740
46 HB1 ALA 8 1HB ALA 8 -1.852 8.666 -0.352
47 HB2 ALA 8 2HB ALA 8 -1.921 10.305 0.297
48 HB3 ALA 8 3HB ALA 8 -3.077 9.090 0.845
49 H CYS 9 HN CYS 9 -2.076 10.659 -3.079
50 HA CYS 9 HA CYS 9 -1.516 13.286 -2.385
51 HB2 CYS 9 1HB CYS 9 -1.792 12.012 -5.112
52 HB3 CYS 9 2HB CYS 9 -1.162 13.636 -4.855
53 H GLY 10 HN GLY 10 -4.413 11.903 -3.705
54 HA2 GLY 10 1HA GLY 10 -5.641 14.071 -4.902
55 HA3 GLY 10 2HA GLY 10 -6.500 12.806 -4.035
56 H THR 11 HN THR 11 -5.654 13.214 -1.453
57 HA THR 11 HA THR 11 -7.347 15.265 -0.584
58 HB THR 11 HB THR 11 -6.478 14.888 1.642
59 HG1 THR 11 HG1 THR 11 -4.469 13.216 0.531
60 HG21 THR 11 3HG2 THR 11 -6.696 12.385 -0.026
61 HG22 THR 11 1HG2 THR 11 -7.966 13.174 0.909
62 HG23 THR 11 2HG2 THR 11 -6.630 12.374 1.736
63 H VAL 12 HN VAL 12 -3.864 15.209 -1.124
64 HA VAL 12 HA VAL 12 -3.376 17.787 0.003
65 HB VAL 12 HB VAL 12 -1.692 16.195 -1.937
66 HG11 VAL 12 1HG1 VAL 12 -0.642 18.188 -2.104
67 HG12 VAL 12 2HG1 VAL 12 -1.324 18.797 -0.595
68 HG13 VAL 12 3HG1 VAL 12 0.059 17.702 -0.561
69 HG21 VAL 12 3HG2 VAL 12 -1.295 14.837 -0.222
70 HG22 VAL 12 1HG2 VAL 12 -0.555 16.197 0.624
71 HG23 VAL 12 2HG2 VAL 12 -2.266 15.839 0.857
72 H CYS 13 HN CYS 13 -3.433 16.609 -3.365
73 HA CYS 13 HA CYS 13 -3.106 19.061 -4.628
74 HB2 CYS 13 1HB CYS 13 -4.229 16.423 -5.402
75 HB3 CYS 13 2HB CYS 13 -4.643 17.792 -6.430
76 H LEU 14 HN LEU 14 -5.991 17.572 -3.298
77 HA LEU 14 HA LEU 14 -7.883 19.316 -4.461
78 HB2 LEU 14 1HB LEU 14 -8.679 17.289 -3.560
79 HB3 LEU 14 2HB LEU 14 -7.911 17.590 -2.003
80 HG LEU 14 HG LEU 14 -9.535 19.370 -1.552
81 HD11 LEU 14 1HD1 LEU 14 -11.450 19.699 -3.006
82 HD12 LEU 14 2HD1 LEU 14 -10.808 18.522 -4.150
83 HD13 LEU 14 3HD1 LEU 14 -9.952 20.039 -3.873
84 HD21 LEU 14 3HD2 LEU 14 -9.962 16.635 -1.503
85 HD22 LEU 14 1HD2 LEU 14 -11.430 17.286 -2.233
86 HD23 LEU 14 2HD2 LEU 14 -10.902 17.861 -0.651
87 H ALA 15 HN ALA 15 -6.076 19.429 -1.424
88 HA ALA 15 HA ALA 15 -7.332 21.593 -0.217
89 HB1 ALA 15 1HB ALA 15 -5.871 20.798 1.282
90 HB2 ALA 15 2HB ALA 15 -4.752 20.235 0.040
91 HB3 ALA 15 3HB ALA 15 -4.734 21.925 0.542
92 H SER 16 HN SER 16 -4.895 21.516 -2.747
93 HA SER 16 HA SER 16 -4.806 24.447 -2.783
94 HB2 SER 16 1HB SER 16 -3.081 22.440 -4.255
95 HB3 SER 16 2HB SER 16 -2.857 24.189 -4.257
96 HG SER 16 HG SER 16 -1.652 22.706 -2.671
97 H GLY 17 HN GLY 17 -7.025 22.662 -3.797
98 HA2 GLY 17 1HA GLY 17 -8.596 23.115 -5.466
99 HA3 GLY 17 2HA GLY 17 -7.391 24.077 -6.308
100 H GLY 18 HN GLY 18 -5.397 22.547 -6.953
101 HA2 GLY 18 1HA GLY 18 -5.239 20.036 -7.593
102 HA3 GLY 18 2HA GLY 18 -6.633 20.438 -8.586
103 H VAL 19 HN VAL 19 -3.731 22.370 -7.951
104 HA VAL 19 HA VAL 19 -3.425 23.100 -10.664
105 HB VAL 19 HB VAL 19 -1.363 23.224 -8.458
106 HG11 VAL 19 1HG1 VAL 19 -0.749 25.281 -10.028
107 HG12 VAL 19 2HG1 VAL 19 -0.082 23.667 -10.285
108 HG13 VAL 19 3HG1 VAL 19 -1.452 24.221 -11.249
109 HG21 VAL 19 3HG2 VAL 19 -2.137 25.660 -8.407
110 HG22 VAL 19 1HG2 VAL 19 -3.562 25.096 -9.279
111 HG23 VAL 19 2HG2 VAL 19 -3.199 24.457 -7.676
112 H GLY 20 HN GLY 20 -1.509 20.898 -8.610
113 HA2 GLY 20 1HA GLY 20 -0.789 19.410 -11.044
114 HA3 GLY 20 2HA GLY 20 0.483 19.943 -9.954
115 H THR 21 HN THR 21 -2.625 18.201 -9.816
116 HB THR 21 HB THR 21 -3.616 15.830 -9.945
117 HG1 THR 21 HG1 THR 21 -5.311 16.950 -9.270
118 HG21 THR 21 3HG2 THR 21 -3.384 14.731 -7.193
119 HG22 THR 21 1HG2 THR 21 -3.508 13.891 -8.739
120 HG23 THR 21 2HG2 THR 21 -4.946 14.599 -8.002
121 H GLU 22 HN GLU 22 -1.202 15.852 -10.676
122 HA GLU 22 HA GLU 22 -0.119 13.373 -9.924
123 HB2 GLU 22 1HB GLU 22 0.997 13.374 -12.044
124 HB3 GLU 22 2HB GLU 22 -0.581 14.118 -12.268
125 HG2 GLU 22 1HG GLU 22 0.522 16.344 -12.099
126 HG3 GLU 22 2HG GLU 22 2.076 15.513 -12.080
127 H PHE 23 HN PHE 23 1.143 16.622 -9.748
128 HA PHE 23 HA PHE 23 3.862 15.872 -9.298
129 HB2 PHE 23 1HB PHE 23 2.814 18.168 -10.059
130 HB3 PHE 23 2HB PHE 23 2.753 18.474 -8.327
131 HD1 PHE 23 HD2 PHE 23 4.906 18.309 -7.005
132 HD2 PHE 23 HD1 PHE 23 4.795 18.441 -11.258
133 HE1 PHE 23 HE2 PHE 23 7.269 18.991 -7.042
134 HE2 PHE 23 HE1 PHE 23 7.159 19.122 -11.301
135 HZ PHE 23 HZ PHE 23 8.399 19.399 -9.192
136 H ALA 24 HN ALA 24 1.230 16.964 -7.171
137 HA ALA 24 HA ALA 24 2.643 16.852 -4.759
138 HB1 ALA 24 1HB ALA 24 0.633 17.216 -3.710
139 HB2 ALA 24 2HB ALA 24 0.263 17.780 -5.340
140 HB3 ALA 24 3HB ALA 24 -0.260 16.178 -4.822
141 H ALA 25 HN ALA 25 1.290 14.342 -6.719
142 HB1 ALA 25 1HB ALA 25 0.977 10.765 -6.625
143 HB2 ALA 25 2HB ALA 25 -0.053 12.166 -6.921
144 HB3 ALA 25 3HB ALA 25 1.518 12.044 -7.713
145 H ALA 26 HN ALA 26 3.753 13.631 -6.461
146 HA ALA 26 HA ALA 26 5.543 11.477 -6.276
147 HB1 ALA 26 1HB ALA 26 5.978 14.449 -6.406
148 HB2 ALA 26 2HB ALA 26 7.307 13.290 -6.390
149 HB3 ALA 26 3HB ALA 26 6.129 13.262 -7.702
150 H SER 27 HN SER 27 4.391 13.719 -3.903
151 HA SER 27 HA SER 27 6.426 13.730 -2.032
152 HB2 SER 27 1HB SER 27 4.692 14.178 -0.355
153 HB3 SER 27 2HB SER 27 4.376 15.086 -1.833
154 HG SER 27 HG SER 27 2.513 14.139 -1.861
155 H DTY 28 HN DTY 28 3.713 11.430 -2.245
156 HB2 DTY 28 1HB DTY 28 5.183 10.326 0.700
157 HB3 DTY 28 2HB DTY 28 4.427 8.737 0.697
158 HD1 DTY 28 HD1 DTY 28 3.832 12.353 0.888
159 HD2 DTY 28 HD2 DTY 28 2.037 8.496 0.987
160 HE1 DTY 28 HE1 DTY 28 1.766 13.343 1.782
161 HE2 DTY 28 HE2 DTY 28 -0.033 9.476 1.882
162 HH DTY 28 HH DTY 28 -0.512 12.917 2.056
163 H PHE 29 HN PHE 29 5.795 10.050 -3.296
164 HA PHE 29 HA PHE 29 7.196 7.532 -3.172
165 HB2 PHE 29 1HB PHE 29 6.411 8.720 -5.300
166 HB3 PHE 29 2HB PHE 29 7.783 9.799 -5.070
167 HD1 PHE 29 HD2 PHE 29 10.088 8.562 -4.698
168 HD2 PHE 29 HD1 PHE 29 6.690 6.869 -6.623
169 HE1 PHE 29 HE2 PHE 29 11.548 6.953 -5.851
170 HE2 PHE 29 HE1 PHE 29 8.145 5.255 -7.779
171 HZ PHE 29 HZ PHE 29 10.577 5.297 -7.395
172 H LEU 30 HN LEU 30 8.039 10.965 -2.874
173 HA LEU 30 HA LEU 30 10.786 10.338 -2.210
174 HB2 LEU 30 1HB LEU 30 9.323 12.974 -2.167
175 HB3 LEU 30 2HB LEU 30 11.064 12.754 -2.001
176 HG LEU 30 HG LEU 30 9.708 11.771 -4.471
177 HD11 LEU 30 1HD1 LEU 30 9.316 14.365 -3.650
178 HD12 LEU 30 2HD1 LEU 30 9.239 13.781 -5.312
179 HD13 LEU 30 3HD1 LEU 30 10.732 14.485 -4.693
180 HD21 LEU 30 3HD2 LEU 30 11.822 12.100 -5.455
181 HD22 LEU 30 1HD2 LEU 30 12.146 11.388 -3.874
182 HD23 LEU 30 2HD2 LEU 30 12.373 13.120 -4.125
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 0.915 -0.707 0.965
2 HA2 GLY 1 1HA GLY 1 3.188 0.813 0.746
3 HA3 GLY 1 2HA GLY 1 2.703 -0.384 -0.446
4 H TRP 2 HN TRP 2 2.561 0.355 -2.446
5 HA TRP 2 HA TRP 2 2.880 3.019 -3.175
6 HB2 TRP 2 1HB TRP 2 2.312 2.333 -5.424
7 HB3 TRP 2 2HB TRP 2 3.267 1.062 -4.666
8 HD1 TRP 2 HD1 TRP 2 1.641 -1.011 -3.562
9 HE1 TRP 2 HE1 TRP 2 -0.389 -2.136 -4.675
10 HE3 TRP 2 HE3 TRP 2 0.494 2.599 -6.995
11 HZ2 TRP 2 HZ2 TRP 2 -2.232 -1.568 -6.736
12 HZ3 TRP 2 HZ3 TRP 2 -1.417 2.231 -8.500
13 HH2 TRP 2 HH2 TRP 2 -2.751 0.189 -8.372
14 H VAL 3 HN VAL 3 0.025 1.279 -2.272
15 HA VAL 3 HA VAL 3 -1.922 2.936 -3.459
16 HB VAL 3 HB VAL 3 -2.124 1.302 -0.925
17 HG11 VAL 3 1HG1 VAL 3 -4.004 3.050 -2.295
18 HG12 VAL 3 2HG1 VAL 3 -4.618 1.409 -2.086
19 HG13 VAL 3 3HG1 VAL 3 -4.087 2.338 -0.684
20 HG21 VAL 3 3HG2 VAL 3 -3.363 -0.253 -2.561
21 HG22 VAL 3 1HG2 VAL 3 -2.531 0.656 -3.823
22 HG23 VAL 3 2HG2 VAL 3 -1.600 -0.222 -2.609
23 H ALA 4 HN ALA 4 0.072 3.316 -0.654
24 HA ALA 4 HA ALA 4 -1.532 5.307 0.632
25 HB1 ALA 4 1HB ALA 4 -0.048 4.054 2.000
26 HB2 ALA 4 2HB ALA 4 1.337 4.471 0.991
27 HB3 ALA 4 3HB ALA 4 0.554 5.712 1.969
28 H CYS 5 HN CYS 5 1.342 5.378 -1.448
29 HA CYS 5 HA CYS 5 1.708 8.176 -1.381
30 HB2 CYS 5 1HB CYS 5 3.321 6.321 -2.193
31 HB3 CYS 5 2HB CYS 5 2.475 6.462 -3.730
32 H VAL 6 HN VAL 6 0.087 6.067 -3.742
33 HA VAL 6 HA VAL 6 -0.697 8.057 -5.542
34 HB VAL 6 HB VAL 6 -0.823 5.639 -6.029
35 HG11 VAL 6 1HG1 VAL 6 -3.269 5.673 -4.264
36 HG12 VAL 6 2HG1 VAL 6 -2.672 4.304 -5.204
37 HG13 VAL 6 3HG1 VAL 6 -1.726 4.927 -3.852
38 HG21 VAL 6 3HG2 VAL 6 -2.684 5.772 -7.451
39 HG22 VAL 6 1HG2 VAL 6 -3.563 6.826 -6.343
40 HG23 VAL 6 2HG2 VAL 6 -2.173 7.446 -7.234
41 H GLY 7 HN GLY 7 -1.991 7.141 -2.451
42 HA2 GLY 7 1HA GLY 7 -4.596 8.155 -2.683
43 HA3 GLY 7 2HA GLY 7 -3.697 8.002 -1.181
44 H ALA 8 HN ALA 8 -1.807 9.747 -1.125
45 HA ALA 8 HA ALA 8 -3.121 12.261 -0.957
46 HB1 ALA 8 1HB ALA 8 -0.897 13.123 -0.305
47 HB2 ALA 8 2HB ALA 8 -1.378 11.694 0.611
48 HB3 ALA 8 3HB ALA 8 -0.203 11.549 -0.696
49 H CYS 9 HN CYS 9 -1.252 10.693 -3.408
50 HA CYS 9 HA CYS 9 -0.262 12.862 -4.842
51 HB2 CYS 9 1HB CYS 9 -0.920 10.043 -5.444
52 HB3 CYS 9 2HB CYS 9 -0.849 11.119 -6.835
53 H GLY 10 HN GLY 10 -3.502 11.691 -4.514
54 HA2 GLY 10 1HA GLY 10 -4.383 13.735 -6.458
55 HA3 GLY 10 2HA GLY 10 -5.152 12.158 -6.360
56 H THR 11 HN THR 11 -5.524 11.725 -3.746
57 HA THR 11 HA THR 11 -7.790 13.211 -3.119
58 HB THR 11 HB THR 11 -6.073 11.811 -1.069
59 HG1 THR 11 HG1 THR 11 -8.076 10.661 -2.741
60 HG21 THR 11 3HG2 THR 11 -8.076 11.526 0.160
61 HG22 THR 11 1HG2 THR 11 -9.074 12.022 -1.206
62 HG23 THR 11 2HG2 THR 11 -8.075 13.209 -0.367
63 H VAL 12 HN VAL 12 -4.577 13.399 -1.576
64 HA VAL 12 HA VAL 12 -5.250 15.741 -0.083
65 HB VAL 12 HB VAL 12 -2.539 14.537 -0.659
66 HG11 VAL 12 1HG1 VAL 12 -2.054 16.700 0.018
67 HG12 VAL 12 2HG1 VAL 12 -3.437 16.776 1.112
68 HG13 VAL 12 3HG1 VAL 12 -2.026 15.807 1.538
69 HG21 VAL 12 3HG2 VAL 12 -2.718 13.412 1.423
70 HG22 VAL 12 1HG2 VAL 12 -4.187 14.289 1.847
71 HG23 VAL 12 2HG2 VAL 12 -4.217 13.093 0.551
72 H CYS 13 HN CYS 13 -3.922 15.126 -3.226
73 HA CYS 13 HA CYS 13 -2.541 17.481 -3.735
74 HB2 CYS 13 1HB CYS 13 -2.734 15.416 -5.214
75 HB3 CYS 13 2HB CYS 13 -4.269 16.075 -5.770
76 H LEU 14 HN LEU 14 -5.997 16.783 -4.152
77 HA LEU 14 HA LEU 14 -6.705 19.298 -5.205
78 HB2 LEU 14 1HB LEU 14 -8.130 16.996 -4.016
79 HB3 LEU 14 2HB LEU 14 -8.987 18.536 -4.019
80 HG LEU 14 HG LEU 14 -9.558 17.100 -5.942
81 HD11 LEU 14 1HD1 LEU 14 -8.125 19.671 -6.588
82 HD12 LEU 14 2HD1 LEU 14 -9.825 19.484 -6.158
83 HD13 LEU 14 3HD1 LEU 14 -9.223 18.825 -7.679
84 HD21 LEU 14 3HD2 LEU 14 -7.109 16.232 -6.050
85 HD22 LEU 14 1HD2 LEU 14 -6.849 17.637 -7.084
86 HD23 LEU 14 2HD2 LEU 14 -8.037 16.416 -7.539
87 H ALA 15 HN ALA 15 -6.471 18.085 -1.907
88 HA ALA 15 HA ALA 15 -7.730 20.169 -0.553
89 HB1 ALA 15 1HB ALA 15 -7.061 18.065 0.509
90 HB2 ALA 15 2HB ALA 15 -5.367 18.542 0.377
91 HB3 ALA 15 3HB ALA 15 -6.466 19.465 1.402
92 H SER 16 HN SER 16 -4.553 19.983 -1.988
93 HA SER 16 HA SER 16 -3.826 22.580 -0.835
94 HB2 SER 16 1HB SER 16 -2.232 20.581 -0.781
95 HB3 SER 16 2HB SER 16 -2.049 20.815 -2.519
96 HG SER 16 HG SER 16 -1.562 22.809 -0.558
97 H GLY 17 HN GLY 17 -4.973 21.136 -3.708
98 HA2 GLY 17 1HA GLY 17 -5.862 22.991 -5.222
99 HA3 GLY 17 2HA GLY 17 -4.180 23.495 -5.291
100 H GLY 18 HN GLY 18 -6.401 22.118 -7.112
101 HA2 GLY 18 1HA GLY 18 -5.252 19.708 -8.026
102 HA3 GLY 18 2HA GLY 18 -6.390 20.705 -8.921
103 H VAL 19 HN VAL 19 -4.354 22.980 -8.550
104 HA VAL 19 HA VAL 19 -3.169 22.784 -11.092
105 HB VAL 19 HB VAL 19 -1.757 24.733 -10.324
106 HG11 VAL 19 1HG1 VAL 19 -4.210 24.719 -11.271
107 HG12 VAL 19 2HG1 VAL 19 -4.598 25.334 -9.662
108 HG13 VAL 19 3HG1 VAL 19 -3.468 26.211 -10.694
109 HG21 VAL 19 3HG2 VAL 19 -3.362 25.267 -7.979
110 HG22 VAL 19 1HG2 VAL 19 -2.426 23.783 -7.798
111 HG23 VAL 19 2HG2 VAL 19 -1.609 25.299 -8.175
112 H GLY 20 HN GLY 20 -2.132 21.712 -7.963
113 HA2 GLY 20 1HA GLY 20 0.526 21.059 -9.074
114 HA3 GLY 20 2HA GLY 20 0.203 21.315 -7.366
115 H THR 21 HN THR 21 -2.130 19.537 -9.162
116 HB THR 21 HB THR 21 -2.849 17.441 -10.477
117 HG1 THR 21 HG1 THR 21 -4.831 18.027 -9.779
118 HG21 THR 21 3HG2 THR 21 -4.434 15.526 -9.238
119 HG22 THR 21 1HG2 THR 21 -2.818 15.228 -8.601
120 HG23 THR 21 2HG2 THR 21 -3.094 15.223 -10.343
121 H GLU 22 HN GLU 22 -0.394 17.722 -10.608
122 HA GLU 22 HA GLU 22 0.756 15.162 -10.673
123 HB2 GLU 22 1HB GLU 22 1.637 17.786 -11.872
124 HB3 GLU 22 2HB GLU 22 2.475 16.271 -12.175
125 HG2 GLU 22 1HG GLU 22 0.318 15.347 -13.034
126 HG3 GLU 22 2HG GLU 22 -0.355 16.971 -12.905
127 H PHE 23 HN PHE 23 1.632 18.065 -8.963
128 HA PHE 23 HA PHE 23 4.294 17.261 -8.314
129 HB2 PHE 23 1HB PHE 23 2.514 19.508 -7.687
130 HB3 PHE 23 2HB PHE 23 3.600 19.075 -6.372
131 HD1 PHE 23 HD2 PHE 23 3.529 19.953 -9.974
132 HD2 PHE 23 HD1 PHE 23 5.826 19.757 -6.396
133 HE1 PHE 23 HE2 PHE 23 5.349 21.186 -11.079
134 HE2 PHE 23 HE1 PHE 23 7.650 20.990 -7.495
135 HZ PHE 23 HZ PHE 23 7.413 21.706 -9.840
136 H ALA 24 HN ALA 24 1.151 16.723 -6.937
137 HA ALA 24 HA ALA 24 1.903 16.009 -4.323
138 HB1 ALA 24 1HB ALA 24 -0.454 15.160 -5.996
139 HB2 ALA 24 2HB ALA 24 -0.270 14.782 -4.283
140 HB3 ALA 24 3HB ALA 24 -0.393 16.461 -4.807
141 H ALA 25 HN ALA 25 1.410 14.015 -7.227
142 HB1 ALA 25 1HB ALA 25 1.077 11.877 -8.423
143 HB2 ALA 25 2HB ALA 25 2.676 12.467 -8.881
144 HB3 ALA 25 3HB ALA 25 2.465 10.789 -8.381
145 H ALA 26 HN ALA 26 4.155 14.016 -7.002
146 HA ALA 26 HA ALA 26 6.507 12.476 -6.997
147 HB1 ALA 26 1HB ALA 26 7.687 14.500 -6.968
148 HB2 ALA 26 2HB ALA 26 6.178 14.875 -7.802
149 HB3 ALA 26 3HB ALA 26 6.393 15.343 -6.115
150 H SER 27 HN SER 27 4.574 13.798 -4.419
151 HA SER 27 HA SER 27 6.375 13.854 -2.319
152 HB2 SER 27 1HB SER 27 3.899 14.538 -2.344
153 HB3 SER 27 2HB SER 27 3.552 12.845 -1.993
154 HG SER 27 HG SER 27 5.056 14.670 -0.432
155 H DTY 28 HN DTY 28 4.121 11.160 -2.949
156 HB2 DTY 28 1HB DTY 28 6.007 9.905 -0.368
157 HB3 DTY 28 2HB DTY 28 5.637 8.201 -0.611
158 HD1 DTY 28 HD1 DTY 28 3.854 7.348 0.569
159 HD2 DTY 28 HD2 DTY 28 3.823 11.472 -0.478
160 HE1 DTY 28 HE1 DTY 28 1.731 7.632 1.778
161 HE2 DTY 28 HE2 DTY 28 1.699 11.767 0.727
162 HH DTY 28 HH DTY 28 0.498 10.575 2.657
163 H PHE 29 HN PHE 29 6.261 10.357 -4.390
164 HA PHE 29 HA PHE 29 7.985 8.126 -4.921
165 HB2 PHE 29 1HB PHE 29 6.897 9.665 -6.652
166 HB3 PHE 29 2HB PHE 29 8.145 10.834 -6.234
167 HD1 PHE 29 HD1 PHE 29 7.579 7.434 -7.570
168 HD2 PHE 29 HD2 PHE 29 10.311 10.667 -7.122
169 HE1 PHE 29 HE1 PHE 29 9.116 6.349 -9.155
170 HE2 PHE 29 HE2 PHE 29 11.852 9.588 -8.708
171 HZ PHE 29 HZ PHE 29 11.256 7.427 -9.727
172 H LEU 30 HN LEU 30 8.263 11.164 -3.283
173 HA LEU 30 HA LEU 30 11.152 11.177 -3.300
174 HB2 LEU 30 1HB LEU 30 9.051 12.886 -2.014
175 HB3 LEU 30 2HB LEU 30 10.753 13.055 -1.590
176 HG LEU 30 HG LEU 30 9.757 13.323 -4.417
177 HD11 LEU 30 1HD1 LEU 30 9.412 15.140 -2.187
178 HD12 LEU 30 2HD1 LEU 30 8.748 15.213 -3.819
179 HD13 LEU 30 3HD1 LEU 30 10.356 15.860 -3.492
180 HD21 LEU 30 3HD2 LEU 30 11.864 13.905 -4.951
181 HD22 LEU 30 1HD2 LEU 30 12.277 13.015 -3.485
182 HD23 LEU 30 2HD2 LEU 30 12.122 14.771 -3.436
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 -0.523 -0.239 0.068
2 HA2 GLY 1 1HA GLY 1 1.549 -0.884 -1.742
3 HA3 GLY 1 2HA GLY 1 -0.110 -0.499 -2.175
4 H TRP 2 HN TRP 2 1.344 0.395 -4.015
5 HA TRP 2 HA TRP 2 2.625 2.911 -3.491
6 HB2 TRP 2 1HB TRP 2 1.871 1.573 -6.098
7 HB3 TRP 2 2HB TRP 2 2.854 3.029 -5.961
8 HD1 TRP 2 HD1 TRP 2 4.555 1.849 -3.388
9 HE1 TRP 2 HE1 TRP 2 6.415 0.144 -3.895
10 HE3 TRP 2 HE3 TRP 2 2.992 0.291 -7.999
11 HZ2 TRP 2 HZ2 TRP 2 7.126 -1.626 -5.975
12 HZ3 TRP 2 HZ3 TRP 2 4.319 -1.410 -9.181
13 HH2 TRP 2 HH2 TRP 2 6.343 -2.348 -8.189
14 H VAL 3 HN VAL 3 -0.502 1.849 -4.675
15 HA VAL 3 HA VAL 3 -1.429 4.307 -5.675
16 HB VAL 3 HB VAL 3 -3.688 3.385 -5.422
17 HG11 VAL 3 1HG1 VAL 3 -3.459 1.879 -7.112
18 HG12 VAL 3 2HG1 VAL 3 -1.833 2.565 -7.141
19 HG13 VAL 3 3HG1 VAL 3 -2.130 1.029 -6.325
20 HG21 VAL 3 3HG2 VAL 3 -3.300 0.781 -4.550
21 HG22 VAL 3 1HG2 VAL 3 -2.371 1.762 -3.417
22 HG23 VAL 3 2HG2 VAL 3 -4.089 2.082 -3.658
23 H ALA 4 HN ALA 4 -1.072 3.113 -2.446
24 HA ALA 4 HA ALA 4 -2.885 4.988 -1.237
25 HB1 ALA 4 1HB ALA 4 -2.657 3.691 0.554
26 HB2 ALA 4 2HB ALA 4 -1.616 2.651 -0.419
27 HB3 ALA 4 3HB ALA 4 -0.909 3.922 0.578
28 H CYS 5 HN CYS 5 0.535 4.863 -1.969
29 HA CYS 5 HA CYS 5 1.371 6.995 -0.319
30 HB2 CYS 5 1HB CYS 5 2.698 5.192 -1.781
31 HB3 CYS 5 2HB CYS 5 2.747 6.537 -2.917
32 H VAL 6 HN VAL 6 0.969 7.004 -3.866
33 HA VAL 6 HA VAL 6 1.071 9.784 -4.161
34 HB VAL 6 HB VAL 6 -0.443 7.889 -5.958
35 HG11 VAL 6 1HG1 VAL 6 -0.813 10.264 -6.404
36 HG12 VAL 6 2HG1 VAL 6 0.930 10.516 -6.520
37 HG13 VAL 6 3HG1 VAL 6 0.104 9.503 -7.705
38 HG21 VAL 6 3HG2 VAL 6 2.494 8.416 -5.678
39 HG22 VAL 6 1HG2 VAL 6 1.646 6.876 -5.816
40 HG23 VAL 6 2HG2 VAL 6 1.805 7.924 -7.226
41 H GLY 7 HN GLY 7 -1.522 7.684 -3.203
42 HA2 GLY 7 1HA GLY 7 -3.691 9.410 -3.803
43 HA3 GLY 7 2HA GLY 7 -3.717 8.081 -2.652
44 H ALA 8 HN ALA 8 -1.340 9.435 -1.287
45 HA ALA 8 HA ALA 8 -2.840 10.780 0.702
46 HB1 ALA 8 1HB ALA 8 0.133 10.662 0.223
47 HB2 ALA 8 2HB ALA 8 -0.623 11.348 1.661
48 HB3 ALA 8 3HB ALA 8 -0.815 9.633 1.297
49 H CYS 9 HN CYS 9 -0.325 12.047 -1.496
50 HA CYS 9 HA CYS 9 -0.933 14.764 -0.914
51 HB2 CYS 9 1HB CYS 9 0.607 15.291 -2.745
52 HB3 CYS 9 2HB CYS 9 1.289 14.061 -1.686
53 H GLY 10 HN GLY 10 -2.173 12.444 -3.162
54 HA2 GLY 10 1HA GLY 10 -3.196 14.136 -5.148
55 HA3 GLY 10 2HA GLY 10 -3.847 12.559 -4.728
56 H THR 11 HN THR 11 -4.886 12.798 -2.307
57 HA THR 11 HA THR 11 -7.297 14.158 -2.710
58 HB THR 11 HB THR 11 -6.168 13.376 -0.019
59 HG1 THR 11 HG1 THR 11 -6.542 11.350 -0.537
60 HG21 THR 11 3HG2 THR 11 -8.207 14.748 0.036
61 HG22 THR 11 1HG2 THR 11 -8.513 13.107 0.603
62 HG23 THR 11 2HG2 THR 11 -9.011 13.587 -1.020
63 H VAL 12 HN VAL 12 -4.328 15.134 -1.111
64 HA VAL 12 HA VAL 12 -5.400 17.483 0.102
65 HB VAL 12 HB VAL 12 -2.531 16.794 -0.548
66 HG11 VAL 12 1HG1 VAL 12 -2.617 19.129 -0.229
67 HG12 VAL 12 2HG1 VAL 12 -3.755 18.982 1.112
68 HG13 VAL 12 3HG1 VAL 12 -2.082 18.457 1.311
69 HG21 VAL 12 3HG2 VAL 12 -2.819 16.579 2.155
70 HG22 VAL 12 1HG2 VAL 12 -4.371 15.973 1.577
71 HG23 VAL 12 2HG2 VAL 12 -2.872 15.228 1.023
72 H CYS 13 HN CYS 13 -4.115 16.713 -3.032
73 HA CYS 13 HA CYS 13 -3.338 19.216 -3.950
74 HB2 CYS 13 1HB CYS 13 -3.336 16.800 -5.062
75 HB3 CYS 13 2HB CYS 13 -4.805 17.411 -5.815
76 H LEU 14 HN LEU 14 -6.551 17.711 -3.999
77 HA LEU 14 HA LEU 14 -7.852 19.852 -5.313
78 HB2 LEU 14 1HB LEU 14 -8.731 17.493 -3.717
79 HB3 LEU 14 2HB LEU 14 -9.900 18.763 -4.077
80 HG LEU 14 HG LEU 14 -9.481 18.416 -6.489
81 HD11 LEU 14 1HD1 LEU 14 -8.298 16.328 -7.152
82 HD12 LEU 14 2HD1 LEU 14 -7.729 16.179 -5.490
83 HD13 LEU 14 3HD1 LEU 14 -7.246 17.566 -6.465
84 HD21 LEU 14 3HD2 LEU 14 -10.878 16.739 -4.685
85 HD22 LEU 14 1HD2 LEU 14 -10.184 15.715 -5.943
86 HD23 LEU 14 2HD2 LEU 14 -11.233 17.063 -6.383
87 H ALA 15 HN ALA 15 -7.617 18.961 -1.878
88 HA ALA 15 HA ALA 15 -9.165 21.022 -0.824
89 HB1 ALA 15 1HB ALA 15 -6.867 20.348 0.834
90 HB2 ALA 15 2HB ALA 15 -8.591 20.140 1.145
91 HB3 ALA 15 3HB ALA 15 -7.713 18.931 0.209
92 H SER 16 HN SER 16 -5.942 21.062 -2.103
93 HA SER 16 HA SER 16 -5.423 23.724 -1.011
94 HB2 SER 16 1HB SER 16 -3.563 22.204 -0.846
95 HB3 SER 16 2HB SER 16 -3.680 21.796 -2.557
96 HG SER 16 HG SER 16 -2.219 23.320 -2.703
97 H GLY 17 HN GLY 17 -6.557 22.208 -3.852
98 HA2 GLY 17 1HA GLY 17 -7.389 24.455 -5.164
99 HA3 GLY 17 2HA GLY 17 -5.731 24.241 -5.706
100 H GLY 18 HN GLY 18 -5.185 22.414 -6.958
101 HA2 GLY 18 1HA GLY 18 -6.222 20.189 -7.729
102 HA3 GLY 18 2HA GLY 18 -7.522 21.225 -8.300
103 H VAL 19 HN VAL 19 -5.328 23.292 -8.900
104 HA VAL 19 HA VAL 19 -5.082 22.701 -11.652
105 HB VAL 19 HB VAL 19 -3.465 24.689 -10.053
106 HG11 VAL 19 1HG1 VAL 19 -4.167 24.690 -12.985
107 HG12 VAL 19 2HG1 VAL 19 -3.119 25.830 -12.138
108 HG13 VAL 19 3HG1 VAL 19 -2.622 24.148 -12.330
109 HG21 VAL 19 3HG2 VAL 19 -6.261 24.614 -10.594
110 HG22 VAL 19 1HG2 VAL 19 -5.328 25.860 -9.765
111 HG23 VAL 19 2HG2 VAL 19 -5.543 25.936 -11.514
112 H GLY 20 HN GLY 20 -2.757 22.555 -8.968
113 HA2 GLY 20 1HA GLY 20 -0.849 21.211 -10.763
114 HA3 GLY 20 2HA GLY 20 -0.442 21.978 -9.235
115 H THR 21 HN THR 21 -3.144 19.784 -9.764
116 HB THR 21 HB THR 21 -3.950 17.372 -10.153
117 HG1 THR 21 HG1 THR 21 -5.666 18.421 -9.487
118 HG21 THR 21 3HG2 THR 21 -5.238 15.849 -8.421
119 HG22 THR 21 1HG2 THR 21 -3.750 16.040 -7.495
120 HG23 THR 21 2HG2 THR 21 -3.699 15.341 -9.114
121 H GLU 22 HN GLU 22 -1.522 17.641 -10.790
122 HA GLU 22 HA GLU 22 -0.279 15.185 -10.241
123 HB2 GLU 22 1HB GLU 22 -0.735 16.192 -12.516
124 HB3 GLU 22 2HB GLU 22 0.668 17.220 -12.258
125 HG2 GLU 22 1HG GLU 22 2.137 15.367 -12.236
126 HG3 GLU 22 2HG GLU 22 0.800 14.222 -12.146
127 H PHE 23 HN PHE 23 0.728 18.481 -9.702
128 HA PHE 23 HA PHE 23 3.481 17.890 -9.230
129 HB2 PHE 23 1HB PHE 23 2.345 20.163 -9.826
130 HB3 PHE 23 2HB PHE 23 2.096 20.294 -8.088
131 HD1 PHE 23 HD2 PHE 23 4.588 20.200 -10.771
132 HD2 PHE 23 HD1 PHE 23 3.932 20.674 -6.592
133 HE1 PHE 23 HE2 PHE 23 6.877 21.063 -10.513
134 HE2 PHE 23 HE1 PHE 23 6.220 21.539 -6.328
135 HZ PHE 23 HZ PHE 23 7.697 21.733 -8.290
136 H ALA 24 HN ALA 24 0.720 18.582 -7.098
137 HA ALA 24 HA ALA 24 2.071 18.320 -4.662
138 HB1 ALA 24 1HB ALA 24 -0.284 19.218 -5.122
139 HB2 ALA 24 2HB ALA 24 -0.802 17.535 -5.018
140 HB3 ALA 24 3HB ALA 24 -0.027 18.306 -3.634
141 H ALA 25 HN ALA 25 0.099 15.908 -6.400
142 HB1 ALA 25 1HB ALA 25 -0.619 13.783 -7.239
143 HB2 ALA 25 2HB ALA 25 -0.344 12.345 -6.254
144 HB3 ALA 25 3HB ALA 25 -1.307 13.679 -5.618
145 H ALA 26 HN ALA 26 3.228 14.533 -5.129
146 HA ALA 26 HA ALA 26 4.455 13.739 -7.532
147 HB1 ALA 26 1HB ALA 26 5.877 15.084 -6.399
148 HB2 ALA 26 2HB ALA 26 5.370 14.477 -4.822
149 HB3 ALA 26 3HB ALA 26 6.495 13.542 -5.807
150 H SER 27 HN SER 27 5.057 12.152 -4.408
151 HA SER 27 HA SER 27 4.200 9.591 -5.078
152 HB2 SER 27 1HB SER 27 6.659 10.327 -6.380
153 HB3 SER 27 2HB SER 27 6.961 9.018 -5.237
154 HG SER 27 HG SER 27 5.934 8.805 -7.626
155 H DTY 28 HN DTY 28 4.016 8.574 -3.199
156 HB2 DTY 28 1HB DTY 28 4.118 10.532 -0.830
157 HB3 DTY 28 2HB DTY 28 5.863 10.513 -0.602
158 HD1 DTY 28 HD1 DTY 28 2.690 9.160 0.784
159 HD2 DTY 28 HD2 DTY 28 6.782 10.073 1.508
160 HE1 DTY 28 HE1 DTY 28 2.366 8.691 3.177
161 HE2 DTY 28 HE2 DTY 28 6.469 9.607 3.902
162 HH DTY 28 HH DTY 28 3.290 8.945 5.245
163 H PHE 29 HN PHE 29 6.464 7.576 -3.146
164 HA PHE 29 HA PHE 29 8.355 6.304 -1.400
165 HB2 PHE 29 1HB PHE 29 7.499 5.522 -3.733
166 HB3 PHE 29 2HB PHE 29 8.747 6.593 -4.363
167 HD1 PHE 29 HD1 PHE 29 11.134 6.186 -3.721
168 HD2 PHE 29 HD2 PHE 29 8.028 3.397 -2.890
169 HE1 PHE 29 HE1 PHE 29 12.813 4.414 -3.410
170 HE2 PHE 29 HE2 PHE 29 9.702 1.621 -2.577
171 HZ PHE 29 HZ PHE 29 12.098 2.129 -2.836
172 H LEU 30 HN LEU 30 8.686 8.767 -3.961
173 HA LEU 30 HA LEU 30 11.320 9.487 -3.004
174 HB2 LEU 30 1HB LEU 30 9.591 10.338 -5.292
175 HB3 LEU 30 2HB LEU 30 11.000 11.295 -4.840
176 HG LEU 30 HG LEU 30 12.206 8.943 -5.059
177 HD11 LEU 30 1HD1 LEU 30 10.193 7.680 -5.541
178 HD12 LEU 30 2HD1 LEU 30 11.272 7.672 -6.936
179 HD13 LEU 30 3HD1 LEU 30 9.851 8.716 -6.927
180 HD21 LEU 30 3HD2 LEU 30 13.159 9.812 -6.914
181 HD22 LEU 30 1HD2 LEU 30 12.238 11.241 -6.445
182 HD23 LEU 30 2HD2 LEU 30 11.610 10.155 -7.685
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 2.777 1.845 1.366
2 HA2 GLY 1 1HA GLY 1 2.192 0.037 -0.077
3 HA3 GLY 1 2HA GLY 1 0.514 0.553 0.009
4 H TRP 2 HN TRP 2 2.187 -0.014 -2.333
5 HA TRP 2 HA TRP 2 3.059 2.286 -3.638
6 HB2 TRP 2 1HB TRP 2 1.967 -0.328 -4.668
7 HB3 TRP 2 2HB TRP 2 2.511 0.945 -5.758
8 HD1 TRP 2 HD1 TRP 2 4.180 -0.418 -2.523
9 HE1 TRP 2 HE1 TRP 2 6.592 -1.099 -3.110
10 HE3 TRP 2 HE3 TRP 2 4.104 0.566 -7.539
11 HZ2 TRP 2 HZ2 TRP 2 8.244 -1.204 -5.396
12 HZ3 TRP 2 HZ3 TRP 2 6.141 0.149 -8.854
13 HH2 TRP 2 HH2 TRP 2 8.168 -0.717 -7.803
14 H VAL 3 HN VAL 3 -0.069 0.625 -4.101
15 HA VAL 3 HA VAL 3 -1.228 2.651 -5.665
16 HB VAL 3 HB VAL 3 -2.091 0.325 -5.516
17 HG11 VAL 3 1HG1 VAL 3 -1.897 0.135 -3.047
18 HG12 VAL 3 2HG1 VAL 3 -3.289 1.209 -2.894
19 HG13 VAL 3 3HG1 VAL 3 -3.468 -0.365 -3.671
20 HG21 VAL 3 3HG2 VAL 3 -4.059 1.044 -6.298
21 HG22 VAL 3 1HG2 VAL 3 -4.486 1.807 -4.766
22 HG23 VAL 3 2HG2 VAL 3 -3.473 2.665 -5.927
23 H ALA 4 HN ALA 4 -0.829 2.320 -2.240
24 HA ALA 4 HA ALA 4 -2.851 4.212 -1.500
25 HB1 ALA 4 1HB ALA 4 -2.175 2.495 0.065
26 HB2 ALA 4 2HB ALA 4 -0.521 3.109 0.065
27 HB3 ALA 4 3HB ALA 4 -1.825 4.089 0.736
28 H CYS 5 HN CYS 5 0.463 4.384 -2.486
29 HA CYS 5 HA CYS 5 1.126 6.889 -1.359
30 HB2 CYS 5 1HB CYS 5 2.636 5.068 -2.476
31 HB3 CYS 5 2HB CYS 5 2.285 5.948 -3.960
32 H VAL 6 HN VAL 6 0.372 6.114 -4.762
33 HA VAL 6 HA VAL 6 0.058 8.780 -5.583
34 HB VAL 6 HB VAL 6 -1.220 6.326 -6.797
35 HG11 VAL 6 1HG1 VAL 6 -1.420 9.089 -7.444
36 HG12 VAL 6 2HG1 VAL 6 -0.511 8.279 -8.721
37 HG13 VAL 6 3HG1 VAL 6 -2.120 7.706 -8.283
38 HG21 VAL 6 3HG2 VAL 6 0.730 6.224 -8.245
39 HG22 VAL 6 1HG2 VAL 6 1.431 7.621 -7.427
40 HG23 VAL 6 2HG2 VAL 6 1.217 6.104 -6.554
41 H GLY 7 HN GLY 7 -2.223 6.452 -4.255
42 HA2 GLY 7 1HA GLY 7 -4.638 7.664 -4.835
43 HA3 GLY 7 2HA GLY 7 -4.323 6.745 -3.370
44 H ALA 8 HN ALA 8 -2.820 8.125 -1.798
45 HA ALA 8 HA ALA 8 -4.428 10.291 -0.936
46 HB1 ALA 8 1HB ALA 8 -3.391 9.321 0.846
47 HB2 ALA 8 2HB ALA 8 -1.889 9.042 -0.036
48 HB3 ALA 8 3HB ALA 8 -2.275 10.656 0.559
49 H CYS 9 HN CYS 9 -1.682 10.064 -3.026
50 HA CYS 9 HA CYS 9 -0.535 12.567 -2.834
51 HB2 CYS 9 1HB CYS 9 -0.082 10.460 -4.414
52 HB3 CYS 9 2HB CYS 9 -0.948 11.468 -5.569
53 H GLY 10 HN GLY 10 -3.476 11.604 -4.527
54 HA2 GLY 10 1HA GLY 10 -3.877 14.170 -5.750
55 HA3 GLY 10 2HA GLY 10 -5.035 12.850 -5.691
56 H THR 11 HN THR 11 -4.902 12.641 -2.771
57 HA THR 11 HA THR 11 -7.039 14.295 -2.090
58 HB THR 11 HB THR 11 -5.052 13.148 -0.125
59 HG1 THR 11 HG1 THR 11 -6.603 11.341 -0.163
60 HG21 THR 11 3HG2 THR 11 -6.849 14.780 0.644
61 HG22 THR 11 1HG2 THR 11 -6.807 13.215 1.455
62 HG23 THR 11 2HG2 THR 11 -8.018 13.533 0.213
63 H VAL 12 HN VAL 12 -3.570 14.769 -1.716
64 HA VAL 12 HA VAL 12 -3.778 17.122 -0.116
65 HB VAL 12 HB VAL 12 -1.447 16.277 -1.838
66 HG11 VAL 12 1HG1 VAL 12 -0.274 17.474 0.177
67 HG12 VAL 12 2HG1 VAL 12 -0.928 18.412 -1.166
68 HG13 VAL 12 3HG1 VAL 12 -1.836 18.275 0.340
69 HG21 VAL 12 3HG2 VAL 12 -1.471 14.440 -0.535
70 HG22 VAL 12 1HG2 VAL 12 -0.777 15.521 0.674
71 HG23 VAL 12 2HG2 VAL 12 -2.509 15.188 0.679
72 H CYS 13 HN CYS 13 -3.942 16.467 -3.506
73 HA CYS 13 HA CYS 13 -3.152 18.890 -4.609
74 HB2 CYS 13 1HB CYS 13 -4.099 16.590 -5.638
75 HB3 CYS 13 2HB CYS 13 -5.539 17.589 -5.799
76 H LEU 14 HN LEU 14 -6.316 17.930 -3.332
77 HA LEU 14 HA LEU 14 -7.677 20.305 -4.001
78 HB2 LEU 14 1HB LEU 14 -8.281 17.875 -2.745
79 HB3 LEU 14 2HB LEU 14 -8.674 19.129 -1.570
80 HG LEU 14 HG LEU 14 -10.604 18.437 -2.944
81 HD11 LEU 14 1HD1 LEU 14 -10.080 20.849 -2.041
82 HD12 LEU 14 2HD1 LEU 14 -11.480 20.545 -3.067
83 HD13 LEU 14 3HD1 LEU 14 -10.013 21.237 -3.760
84 HD21 LEU 14 3HD2 LEU 14 -10.720 18.758 -5.249
85 HD22 LEU 14 1HD2 LEU 14 -9.111 18.078 -5.005
86 HD23 LEU 14 2HD2 LEU 14 -9.304 19.811 -5.271
87 H ALA 15 HN ALA 15 -5.911 19.320 -1.098
88 HA ALA 15 HA ALA 15 -6.544 21.475 0.551
89 HB1 ALA 15 1HB ALA 15 -4.853 19.260 0.679
90 HB2 ALA 15 2HB ALA 15 -3.806 20.659 0.924
91 HB3 ALA 15 3HB ALA 15 -5.205 20.410 1.968
92 H SER 16 HN SER 16 -4.444 21.291 -2.196
93 HA SER 16 HA SER 16 -3.236 23.884 -1.572
94 HB2 SER 16 1HB SER 16 -1.962 21.776 -2.473
95 HB3 SER 16 2HB SER 16 -2.584 22.305 -4.036
96 HG SER 16 HG SER 16 -0.579 23.354 -2.514
97 H GLY 17 HN GLY 17 -5.727 22.483 -3.439
98 HA2 GLY 17 1HA GLY 17 -7.170 24.524 -4.213
99 HA3 GLY 17 2HA GLY 17 -5.809 24.745 -5.303
100 H GLY 18 HN GLY 18 -5.269 22.877 -6.718
101 HA2 GLY 18 1HA GLY 18 -6.426 20.626 -7.348
102 HA3 GLY 18 2HA GLY 18 -7.769 21.701 -7.708
103 H VAL 19 HN VAL 19 -5.629 23.746 -8.540
104 HA VAL 19 HA VAL 19 -5.790 23.290 -11.310
105 HB VAL 19 HB VAL 19 -5.509 25.534 -10.415
106 HG11 VAL 19 1HG1 VAL 19 -2.655 24.867 -9.755
107 HG12 VAL 19 2HG1 VAL 19 -3.583 26.300 -9.309
108 HG13 VAL 19 3HG1 VAL 19 -3.947 24.744 -8.562
109 HG21 VAL 19 3HG2 VAL 19 -3.894 26.364 -11.992
110 HG22 VAL 19 1HG2 VAL 19 -3.106 24.789 -12.077
111 HG23 VAL 19 2HG2 VAL 19 -4.736 24.995 -12.717
112 H GLY 20 HN GLY 20 -3.344 22.483 -8.930
113 HA2 GLY 20 1HA GLY 20 -1.706 21.297 -11.084
114 HA3 GLY 20 2HA GLY 20 -1.062 21.865 -9.550
115 H THR 21 HN THR 21 -3.867 19.809 -10.285
116 HB THR 21 HB THR 21 -4.645 17.435 -10.920
117 HG1 THR 21 HG1 THR 21 -6.649 17.969 -10.002
118 HG21 THR 21 3HG2 THR 21 -4.572 15.887 -8.385
119 HG22 THR 21 1HG2 THR 21 -4.504 15.325 -10.055
120 HG23 THR 21 2HG2 THR 21 -6.046 15.807 -9.349
121 H GLU 22 HN GLU 22 -2.260 17.663 -11.415
122 HA GLU 22 HA GLU 22 -1.010 15.197 -10.926
123 HB2 GLU 22 1HB GLU 22 -1.386 16.110 -13.182
124 HB3 GLU 22 2HB GLU 22 -0.199 17.369 -12.867
125 HG2 GLU 22 1HG GLU 22 1.554 15.710 -12.677
126 HG3 GLU 22 2HG GLU 22 0.379 14.415 -12.903
127 H PHE 23 HN PHE 23 -0.086 18.460 -10.168
128 HA PHE 23 HA PHE 23 2.678 17.915 -9.697
129 HB2 PHE 23 1HB PHE 23 1.500 20.192 -10.151
130 HB3 PHE 23 2HB PHE 23 1.192 20.190 -8.418
131 HD1 PHE 23 HD1 PHE 23 3.076 20.244 -6.828
132 HD2 PHE 23 HD2 PHE 23 3.662 20.630 -11.026
133 HE1 PHE 23 HE1 PHE 23 5.327 21.152 -6.427
134 HE2 PHE 23 HE2 PHE 23 5.914 21.538 -10.632
135 HZ PHE 23 HZ PHE 23 6.750 21.800 -8.330
136 H ALA 24 HN ALA 24 -0.237 17.828 -7.767
137 HA ALA 24 HA ALA 24 0.891 17.788 -5.207
138 HB1 ALA 24 1HB ALA 24 -1.235 16.414 -4.668
139 HB2 ALA 24 2HB ALA 24 -1.407 18.076 -5.234
140 HB3 ALA 24 3HB ALA 24 -1.666 16.734 -6.348
141 H ALA 25 HN ALA 25 0.219 15.145 -7.472
142 HB1 ALA 25 1HB ALA 25 -0.505 12.479 -7.241
143 HB2 ALA 25 2HB ALA 25 0.454 13.065 -8.601
144 HB3 ALA 25 3HB ALA 25 0.980 11.644 -7.698
145 H ALA 26 HN ALA 26 3.200 14.672 -5.501
146 HA ALA 26 HA ALA 26 5.170 14.662 -7.488
147 HB1 ALA 26 1HB ALA 26 4.959 15.457 -4.742
148 HB2 ALA 26 2HB ALA 26 6.499 14.640 -5.015
149 HB3 ALA 26 3HB ALA 26 6.058 16.040 -5.993
150 H SER 27 HN SER 27 5.098 12.648 -4.539
151 HA SER 27 HA SER 27 5.593 10.208 -5.780
152 HB2 SER 27 1HB SER 27 7.964 11.893 -5.473
153 HB3 SER 27 2HB SER 27 8.140 10.313 -4.710
154 HG SER 27 HG SER 27 8.445 10.832 -7.224
155 H DTY 28 HN DTY 28 4.466 9.146 -4.272
156 HB2 DTY 28 1HB DTY 28 3.549 10.693 -1.777
157 HB3 DTY 28 2HB DTY 28 5.062 10.585 -0.883
158 HD1 DTY 28 HD1 DTY 28 5.086 9.789 1.320
159 HD2 DTY 28 HD2 DTY 28 1.651 9.123 -1.101
160 HE1 DTY 28 HE1 DTY 28 3.869 8.954 3.287
161 HE2 DTY 28 HE2 DTY 28 0.425 8.285 0.860
162 HH DTY 28 HH DTY 28 0.823 8.796 3.634
163 H PHE 29 HN PHE 29 6.726 8.076 -3.412
164 HA PHE 29 HA PHE 29 7.819 6.511 -1.257
165 HB2 PHE 29 1HB PHE 29 7.954 5.888 -3.703
166 HB3 PHE 29 2HB PHE 29 9.136 7.179 -3.892
167 HD1 PHE 29 HD2 PHE 29 8.490 3.874 -2.460
168 HD2 PHE 29 HD1 PHE 29 11.367 6.961 -3.019
169 HE1 PHE 29 HE2 PHE 29 10.278 2.327 -1.778
170 HE2 PHE 29 HE1 PHE 29 13.159 5.419 -2.340
171 HZ PHE 29 HZ PHE 29 12.616 3.099 -1.717
172 H LEU 30 HN LEU 30 8.703 9.489 -2.961
173 HA LEU 30 HA LEU 30 11.008 9.918 -1.273
174 HB2 LEU 30 1HB LEU 30 10.535 10.628 -3.781
175 HB3 LEU 30 2HB LEU 30 9.893 12.069 -2.995
176 HG LEU 30 HG LEU 30 12.301 11.883 -1.782
177 HD11 LEU 30 1HD1 LEU 30 13.518 11.514 -4.290
178 HD12 LEU 30 2HD1 LEU 30 12.455 10.130 -4.035
179 HD13 LEU 30 3HD1 LEU 30 13.692 10.523 -2.841
180 HD21 LEU 30 3HD2 LEU 30 12.321 13.199 -4.430
181 HD22 LEU 30 1HD2 LEU 30 12.735 13.838 -2.839
182 HD23 LEU 30 2HD2 LEU 30 11.043 13.679 -3.312
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 2.815 -0.597 -2.961
2 HA2 GLY 1 1HA GLY 1 0.703 -0.458 -4.605
3 HA3 GLY 1 2HA GLY 1 -0.053 -0.150 -3.048
4 H TRP 2 HN TRP 2 1.952 1.114 -5.560
5 HA TRP 2 HA TRP 2 2.967 3.395 -4.281
6 HB2 TRP 2 1HB TRP 2 3.251 4.312 -6.551
7 HB3 TRP 2 2HB TRP 2 3.793 2.638 -6.453
8 HD1 TRP 2 HD1 TRP 2 1.035 4.808 -7.983
9 HE1 TRP 2 HE1 TRP 2 -0.145 3.457 -9.828
10 HE3 TRP 2 HE3 TRP 2 3.250 0.267 -7.204
11 HZ2 TRP 2 HZ2 TRP 2 -0.138 0.815 -10.822
12 HZ3 TRP 2 HZ3 TRP 2 2.607 -1.621 -8.645
13 HH2 TRP 2 HH2 TRP 2 0.948 -1.351 -10.416
14 H VAL 3 HN VAL 3 -0.191 2.654 -5.499
15 HA VAL 3 HA VAL 3 -1.177 5.284 -5.805
16 HB VAL 3 HB VAL 3 -3.406 4.298 -5.709
17 HG11 VAL 3 1HG1 VAL 3 -2.821 3.918 -7.841
18 HG12 VAL 3 2HG1 VAL 3 -1.254 3.241 -7.392
19 HG13 VAL 3 3HG1 VAL 3 -2.700 2.232 -7.339
20 HG21 VAL 3 3HG2 VAL 3 -2.979 2.742 -3.845
21 HG22 VAL 3 1HG2 VAL 3 -3.751 1.951 -5.219
22 HG23 VAL 3 2HG2 VAL 3 -2.025 1.731 -4.929
23 H ALA 4 HN ALA 4 -0.648 3.276 -3.031
24 HA ALA 4 HA ALA 4 -2.403 4.672 -1.259
25 HB1 ALA 4 1HB ALA 4 -0.514 3.474 0.344
26 HB2 ALA 4 2HB ALA 4 -2.024 2.743 -0.204
27 HB3 ALA 4 3HB ALA 4 -0.530 2.452 -1.094
28 H CYS 5 HN CYS 5 1.054 4.841 -1.994
29 HA CYS 5 HA CYS 5 1.735 6.705 0.010
30 HB2 CYS 5 1HB CYS 5 3.221 5.220 -1.591
31 HB3 CYS 5 2HB CYS 5 3.190 6.661 -2.602
32 H VAL 6 HN VAL 6 1.059 7.168 -3.458
33 HA VAL 6 HA VAL 6 1.276 9.959 -3.476
34 HB VAL 6 HB VAL 6 -0.014 9.907 -5.556
35 HG11 VAL 6 1HG1 VAL 6 1.922 9.316 -6.465
36 HG12 VAL 6 2HG1 VAL 6 2.365 8.415 -5.014
37 HG13 VAL 6 3HG1 VAL 6 1.455 7.623 -6.301
38 HG21 VAL 6 3HG2 VAL 6 -0.800 7.661 -6.388
39 HG22 VAL 6 1HG2 VAL 6 -0.586 7.066 -4.742
40 HG23 VAL 6 2HG2 VAL 6 -1.744 8.354 -5.070
41 H GLY 7 HN GLY 7 -1.282 7.868 -2.408
42 HA2 GLY 7 1HA GLY 7 -3.481 9.579 -2.570
43 HA3 GLY 7 2HA GLY 7 -3.285 8.304 -1.377
44 H ALA 8 HN ALA 8 -0.732 9.730 -0.499
45 HA ALA 8 HA ALA 8 -1.899 11.169 1.648
46 HB1 ALA 8 1HB ALA 8 0.971 11.531 0.933
47 HB2 ALA 8 2HB ALA 8 0.219 11.326 2.515
48 HB3 ALA 8 3HB ALA 8 0.409 9.938 1.443
49 H CYS 9 HN CYS 9 0.236 12.309 -0.979
50 HA CYS 9 HA CYS 9 -0.349 15.058 -0.437
51 HB2 CYS 9 1HB CYS 9 0.978 15.496 -2.484
52 HB3 CYS 9 2HB CYS 9 1.815 14.442 -1.350
53 H GLY 10 HN GLY 10 -1.701 12.597 -2.465
54 HA2 GLY 10 1HA GLY 10 -2.953 14.191 -4.411
55 HA3 GLY 10 2HA GLY 10 -3.485 12.594 -3.908
56 H THR 11 HN THR 11 -3.946 13.306 -1.153
57 HA THR 11 HA THR 11 -6.627 14.094 -1.298
58 HB THR 11 HB THR 11 -4.921 14.402 1.170
59 HG1 THR 11 HG1 THR 11 -5.873 12.074 -0.121
60 HG21 THR 11 3HG2 THR 11 -7.108 13.552 2.196
61 HG22 THR 11 1HG2 THR 11 -7.840 13.920 0.636
62 HG23 THR 11 2HG2 THR 11 -7.090 15.205 1.583
63 H VAL 12 HN VAL 12 -3.776 15.941 -0.226
64 HA VAL 12 HA VAL 12 -5.236 18.361 0.160
65 HB VAL 12 HB VAL 12 -2.256 18.047 -0.218
66 HG11 VAL 12 1HG1 VAL 12 -2.395 20.098 1.390
67 HG12 VAL 12 2HG1 VAL 12 -2.638 20.317 -0.344
68 HG13 VAL 12 3HG1 VAL 12 -4.027 20.251 0.741
69 HG21 VAL 12 3HG2 VAL 12 -2.416 18.217 2.393
70 HG22 VAL 12 1HG2 VAL 12 -4.030 17.558 2.128
71 HG23 VAL 12 2HG2 VAL 12 -2.612 16.662 1.583
72 H CYS 13 HN CYS 13 -3.564 16.897 -2.524
73 HA CYS 13 HA CYS 13 -3.100 19.100 -4.148
74 HB2 CYS 13 1HB CYS 13 -2.614 16.505 -4.445
75 HB3 CYS 13 2HB CYS 13 -4.086 16.582 -5.407
76 H LEU 14 HN LEU 14 -5.902 16.900 -4.385
77 HA LEU 14 HA LEU 14 -7.373 18.571 -6.112
78 HB2 LEU 14 1HB LEU 14 -7.667 16.028 -4.947
79 HB3 LEU 14 2HB LEU 14 -9.100 16.949 -4.496
80 HG LEU 14 HG LEU 14 -9.405 15.595 -6.540
81 HD11 LEU 14 1HD1 LEU 14 -10.704 17.164 -7.588
82 HD12 LEU 14 2HD1 LEU 14 -9.498 18.439 -7.419
83 HD13 LEU 14 3HD1 LEU 14 -10.455 17.940 -6.024
84 HD21 LEU 14 3HD2 LEU 14 -7.762 17.468 -8.133
85 HD22 LEU 14 1HD2 LEU 14 -8.108 15.757 -8.388
86 HD23 LEU 14 2HD2 LEU 14 -6.896 16.244 -7.202
87 H ALA 15 HN ALA 15 -7.307 18.252 -2.602
88 HA ALA 15 HA ALA 15 -9.537 19.792 -1.957
89 HB1 ALA 15 1HB ALA 15 -8.504 18.549 -0.233
90 HB2 ALA 15 2HB ALA 15 -6.949 19.341 -0.493
91 HB3 ALA 15 3HB ALA 15 -8.296 20.247 0.197
92 H SER 16 HN SER 16 -6.279 20.756 -2.847
93 HA SER 16 HA SER 16 -6.979 23.576 -2.452
94 HB2 SER 16 1HB SER 16 -4.410 22.066 -2.625
95 HB3 SER 16 2HB SER 16 -4.418 23.751 -3.146
96 HG SER 16 HG SER 16 -4.323 22.806 -0.673
97 H GLY 17 HN GLY 17 -7.884 21.753 -4.687
98 HA2 GLY 17 1HA GLY 17 -8.485 23.101 -6.756
99 HA3 GLY 17 2HA GLY 17 -6.746 23.260 -6.955
100 H GLY 18 HN GLY 18 -5.539 21.515 -7.693
101 HA2 GLY 18 1HA GLY 18 -5.720 18.968 -7.968
102 HA3 GLY 18 2HA GLY 18 -7.165 19.368 -8.887
103 H VAL 19 HN VAL 19 -5.627 21.868 -9.805
104 HA VAL 19 HA VAL 19 -4.819 20.863 -12.304
105 HB VAL 19 HB VAL 19 -3.755 23.134 -12.608
106 HG11 VAL 19 1HG1 VAL 19 -6.305 22.380 -12.842
107 HG12 VAL 19 2HG1 VAL 19 -6.499 23.635 -11.617
108 HG13 VAL 19 3HG1 VAL 19 -5.764 24.026 -13.172
109 HG21 VAL 19 3HG2 VAL 19 -3.646 23.201 -9.901
110 HG22 VAL 19 1HG2 VAL 19 -3.569 24.628 -10.935
111 HG23 VAL 19 2HG2 VAL 19 -5.100 24.153 -10.200
112 H GLY 20 HN GLY 20 -3.119 21.270 -9.307
113 HA2 GLY 20 1HA GLY 20 -0.585 20.593 -10.665
114 HA3 GLY 20 2HA GLY 20 -0.688 21.474 -9.148
115 H THR 21 HN THR 21 -2.803 18.788 -9.652
116 HB THR 21 HB THR 21 -3.202 16.266 -9.920
117 HG1 THR 21 HG1 THR 21 -5.116 16.910 -9.211
118 HG21 THR 21 3HG2 THR 21 -2.703 15.090 -7.239
119 HG22 THR 21 1HG2 THR 21 -2.645 14.337 -8.833
120 HG23 THR 21 2HG2 THR 21 -4.200 14.644 -8.058
121 H GLU 22 HN GLU 22 -0.755 17.049 -10.566
122 HA GLU 22 HA GLU 22 0.820 14.791 -10.025
123 HB2 GLU 22 1HB GLU 22 0.290 15.943 -12.280
124 HB3 GLU 22 2HB GLU 22 1.674 16.964 -11.917
125 HG2 GLU 22 1HG GLU 22 2.437 15.215 -13.314
126 HG3 GLU 22 2HG GLU 22 3.044 14.888 -11.692
127 H PHE 23 HN PHE 23 1.365 18.212 -9.470
128 HA PHE 23 HA PHE 23 4.129 17.949 -8.801
129 HB2 PHE 23 1HB PHE 23 3.029 20.070 -9.589
130 HB3 PHE 23 2HB PHE 23 2.251 20.182 -8.013
131 HD1 PHE 23 HD1 PHE 23 3.644 20.487 -5.976
132 HD2 PHE 23 HD2 PHE 23 5.272 20.729 -9.902
133 HE1 PHE 23 HE1 PHE 23 5.619 21.651 -5.082
134 HE2 PHE 23 HE2 PHE 23 7.249 21.892 -9.014
135 HZ PHE 23 HZ PHE 23 7.425 22.355 -6.601
136 H ALA 24 HN ALA 24 1.239 18.601 -6.813
137 HA ALA 24 HA ALA 24 2.514 18.377 -4.328
138 HB1 ALA 24 1HB ALA 24 -0.062 18.928 -5.230
139 HB2 ALA 24 2HB ALA 24 -0.232 17.499 -4.210
140 HB3 ALA 24 3HB ALA 24 0.511 18.961 -3.562
141 H ALA 25 HN ALA 25 0.393 15.981 -5.917
142 HB1 ALA 25 1HB ALA 25 -1.024 13.822 -4.927
143 HB2 ALA 25 2HB ALA 25 -0.484 13.875 -6.606
144 HB3 ALA 25 3HB ALA 25 -0.166 12.446 -5.623
145 H ALA 26 HN ALA 26 3.558 14.575 -4.903
146 HA ALA 26 HA ALA 26 4.543 13.636 -7.355
147 HB1 ALA 26 1HB ALA 26 6.105 14.968 -6.410
148 HB2 ALA 26 2HB ALA 26 5.715 14.447 -4.770
149 HB3 ALA 26 3HB ALA 26 6.719 13.430 -5.803
150 H SER 27 HN SER 27 5.298 12.141 -4.213
151 HA SER 27 HA SER 27 4.336 9.586 -4.749
152 HB2 SER 27 1HB SER 27 5.801 9.200 -6.520
153 HB3 SER 27 2HB SER 27 7.104 10.127 -5.776
154 HG SER 27 HG SER 27 7.794 8.324 -4.977
155 H DTY 28 HN DTY 28 4.277 8.564 -2.857
156 HB2 DTY 28 1HB DTY 28 4.445 10.572 -0.534
157 HB3 DTY 28 2HB DTY 28 6.198 10.589 -0.384
158 HD1 DTY 28 HD1 DTY 28 7.217 10.215 1.692
159 HD2 DTY 28 HD2 DTY 28 3.116 9.210 1.170
160 HE1 DTY 28 HE1 DTY 28 7.019 9.794 4.107
161 HE2 DTY 28 HE2 DTY 28 2.907 8.785 3.583
162 HH DTY 28 HH DTY 28 4.377 9.762 5.757
163 H PHE 29 HN PHE 29 6.742 7.609 -2.890
164 HA PHE 29 HA PHE 29 8.730 6.408 -1.202
165 HB2 PHE 29 1HB PHE 29 8.109 6.423 -4.112
166 HB3 PHE 29 2HB PHE 29 9.760 6.034 -3.640
167 HD1 PHE 29 HD2 PHE 29 9.944 4.251 -1.700
168 HD2 PHE 29 HD1 PHE 29 6.592 4.712 -4.281
169 HE1 PHE 29 HE2 PHE 29 9.263 1.935 -1.223
170 HE2 PHE 29 HE1 PHE 29 5.904 2.398 -3.808
171 HZ PHE 29 HZ PHE 29 7.241 1.006 -2.278
172 H LEU 30 HN LEU 30 8.484 9.275 -3.179
173 HA LEU 30 HA LEU 30 11.313 9.855 -3.027
174 HB2 LEU 30 1HB LEU 30 8.997 11.503 -4.031
175 HB3 LEU 30 2HB LEU 30 10.695 11.954 -4.170
176 HG LEU 30 HG LEU 30 9.458 9.523 -5.459
177 HD11 LEU 30 1HD1 LEU 30 9.027 12.134 -6.180
178 HD12 LEU 30 2HD1 LEU 30 8.904 10.736 -7.247
179 HD13 LEU 30 3HD1 LEU 30 10.399 11.670 -7.187
180 HD21 LEU 30 3HD2 LEU 30 11.731 9.074 -5.208
181 HD22 LEU 30 1HD2 LEU 30 12.192 10.752 -5.495
182 HD23 LEU 30 2HD2 LEU 30 11.617 9.755 -6.832
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 3.196 -1.505 -2.509
2 HA2 GLY 1 1HA GLY 1 0.636 -0.532 -1.505
3 HA3 GLY 1 2HA GLY 1 2.223 -0.152 -0.853
4 H TRP 2 HN TRP 2 1.268 0.130 -4.232
5 HA TRP 2 HA TRP 2 2.271 2.777 -4.417
6 HB2 TRP 2 1HB TRP 2 2.110 1.070 -6.293
7 HB3 TRP 2 2HB TRP 2 0.393 1.455 -6.376
8 HD1 TRP 2 HD1 TRP 2 3.529 3.754 -6.199
9 HE1 TRP 2 HE1 TRP 2 3.341 5.483 -8.096
10 HE3 TRP 2 HE3 TRP 2 -0.839 2.157 -8.320
11 HZ2 TRP 2 HZ2 TRP 2 1.574 6.090 -10.212
12 HZ3 TRP 2 HZ3 TRP 2 -1.711 3.367 -10.278
13 HH2 TRP 2 HH2 TRP 2 -0.528 5.293 -11.202
14 H VAL 3 HN VAL 3 -0.912 1.419 -3.892
15 HA VAL 3 HA VAL 3 -2.444 3.720 -4.424
16 HB VAL 3 HB VAL 3 -3.053 1.491 -2.477
17 HG11 VAL 3 1HG1 VAL 3 -4.451 3.909 -3.144
18 HG12 VAL 3 2HG1 VAL 3 -5.399 2.501 -3.628
19 HG13 VAL 3 3HG1 VAL 3 -4.861 2.672 -1.957
20 HG21 VAL 3 3HG2 VAL 3 -3.405 1.765 -5.436
21 HG22 VAL 3 1HG2 VAL 3 -2.789 0.400 -4.504
22 HG23 VAL 3 2HG2 VAL 3 -4.514 0.769 -4.494
23 H ALA 4 HN ALA 4 -0.648 2.681 -1.605
24 HA ALA 4 HA ALA 4 -1.781 4.618 0.175
25 HB1 ALA 4 1HB ALA 4 0.584 3.921 1.331
26 HB2 ALA 4 2HB ALA 4 -0.931 3.036 1.514
27 HB3 ALA 4 3HB ALA 4 0.254 2.518 0.314
28 H CYS 5 HN CYS 5 1.090 4.443 -1.861
29 HA CYS 5 HA CYS 5 2.376 6.752 -0.875
30 HB2 CYS 5 1HB CYS 5 3.143 4.813 -2.547
31 HB3 CYS 5 2HB CYS 5 2.687 6.021 -3.744
32 H VAL 6 HN VAL 6 0.020 6.254 -3.457
33 HA VAL 6 HA VAL 6 0.084 8.842 -4.547
34 HB VAL 6 HB VAL 6 -2.245 6.920 -4.435
35 HG11 VAL 6 1HG1 VAL 6 -3.211 8.930 -5.056
36 HG12 VAL 6 2HG1 VAL 6 -1.772 9.473 -5.922
37 HG13 VAL 6 3HG1 VAL 6 -2.798 8.215 -6.613
38 HG21 VAL 6 3HG2 VAL 6 -0.990 7.077 -6.990
39 HG22 VAL 6 1HG2 VAL 6 0.239 6.734 -5.773
40 HG23 VAL 6 2HG2 VAL 6 -1.167 5.680 -5.929
41 H GLY 7 HN GLY 7 -2.343 7.452 -2.321
42 HA2 GLY 7 1HA GLY 7 -3.616 9.906 -1.773
43 HA3 GLY 7 2HA GLY 7 -3.733 8.452 -0.793
44 H ALA 8 HN ALA 8 -0.696 8.540 -0.550
45 HA ALA 8 HA ALA 8 -0.610 9.871 1.948
46 HB1 ALA 8 1HB ALA 8 0.811 7.992 1.615
47 HB2 ALA 8 2HB ALA 8 1.569 8.736 0.207
48 HB3 ALA 8 3HB ALA 8 1.849 9.404 1.815
49 H CYS 9 HN CYS 9 -0.033 10.902 -1.293
50 HA CYS 9 HA CYS 9 1.758 12.980 -0.999
51 HB2 CYS 9 1HB CYS 9 -0.546 12.483 -2.836
52 HB3 CYS 9 2HB CYS 9 0.220 14.068 -2.856
53 H GLY 10 HN GLY 10 -1.743 13.588 -1.256
54 HA2 GLY 10 1HA GLY 10 -2.149 14.904 1.141
55 HA3 GLY 10 2HA GLY 10 -1.529 16.119 0.033
56 H THR 11 HN THR 11 -4.273 15.100 1.326
57 HA THR 11 HA THR 11 -6.051 14.670 -0.793
58 HB THR 11 HB THR 11 -6.798 16.121 1.742
59 HG1 THR 11 HG1 THR 11 -6.226 14.388 2.797
60 HG21 THR 11 3HG2 THR 11 -8.582 15.951 0.130
61 HG22 THR 11 1HG2 THR 11 -8.899 14.819 1.444
62 HG23 THR 11 2HG2 THR 11 -8.269 14.231 -0.095
63 H VAL 12 HN VAL 12 -4.439 17.518 0.221
64 HA VAL 12 HA VAL 12 -6.312 19.428 -0.767
65 HB VAL 12 HB VAL 12 -3.341 19.773 -0.343
66 HG11 VAL 12 1HG1 VAL 12 -3.837 21.685 -1.449
67 HG12 VAL 12 2HG1 VAL 12 -5.554 21.601 -1.049
68 HG13 VAL 12 3HG1 VAL 12 -4.396 22.184 0.148
69 HG21 VAL 12 3HG2 VAL 12 -4.467 20.968 1.784
70 HG22 VAL 12 1HG2 VAL 12 -5.622 19.660 1.526
71 HG23 VAL 12 2HG2 VAL 12 -3.918 19.292 1.791
72 H CYS 13 HN CYS 13 -4.053 17.351 -2.257
73 HA CYS 13 HA CYS 13 -3.214 18.791 -4.475
74 HB2 CYS 13 1HB CYS 13 -2.488 16.467 -3.777
75 HB3 CYS 13 2HB CYS 13 -3.964 15.867 -4.526
76 H LEU 14 HN LEU 14 -5.920 16.463 -4.457
77 HA LEU 14 HA LEU 14 -6.967 17.326 -6.931
78 HB2 LEU 14 1HB LEU 14 -7.354 15.135 -5.600
79 HB3 LEU 14 2HB LEU 14 -8.645 16.040 -4.812
80 HG LEU 14 HG LEU 14 -8.571 15.880 -7.795
81 HD11 LEU 14 1HD1 LEU 14 -9.197 13.671 -5.902
82 HD12 LEU 14 2HD1 LEU 14 -8.452 13.615 -7.500
83 HD13 LEU 14 3HD1 LEU 14 -10.191 13.862 -7.347
84 HD21 LEU 14 3HD2 LEU 14 -10.385 17.123 -7.398
85 HD22 LEU 14 1HD2 LEU 14 -10.421 16.685 -5.690
86 HD23 LEU 14 2HD2 LEU 14 -11.150 15.617 -6.890
87 H ALA 15 HN ALA 15 -7.453 18.391 -3.650
88 HA ALA 15 HA ALA 15 -9.872 19.753 -3.894
89 HB1 ALA 15 1HB ALA 15 -9.285 20.918 -1.920
90 HB2 ALA 15 2HB ALA 15 -8.556 19.317 -1.785
91 HB3 ALA 15 3HB ALA 15 -7.560 20.705 -2.221
92 H SER 16 HN SER 16 -6.753 20.502 -5.163
93 HA SER 16 HA SER 16 -7.491 23.274 -5.717
94 HB2 SER 16 1HB SER 16 -5.168 22.536 -4.886
95 HB3 SER 16 2HB SER 16 -4.909 21.947 -6.528
96 HG SER 16 HG SER 16 -4.808 23.946 -7.248
97 H GLY 17 HN GLY 17 -8.693 20.829 -7.024
98 HA2 GLY 17 1HA GLY 17 -9.707 20.688 -9.130
99 HA3 GLY 17 2HA GLY 17 -8.562 21.876 -9.736
100 H GLY 18 HN GLY 18 -6.144 20.768 -9.193
101 HA2 GLY 18 1HA GLY 18 -5.546 18.172 -9.513
102 HA3 GLY 18 2HA GLY 18 -6.086 18.605 -11.129
103 H VAL 19 HN VAL 19 -4.968 21.401 -10.542
104 HA VAL 19 HA VAL 19 -2.518 21.074 -11.882
105 HB VAL 19 HB VAL 19 -3.819 23.171 -11.925
106 HG11 VAL 19 1HG1 VAL 19 -4.231 22.998 -9.364
107 HG12 VAL 19 2HG1 VAL 19 -2.710 23.885 -9.242
108 HG13 VAL 19 3HG1 VAL 19 -4.074 24.586 -10.115
109 HG21 VAL 19 3HG2 VAL 19 -1.200 23.974 -10.777
110 HG22 VAL 19 1HG2 VAL 19 -1.196 22.912 -12.184
111 HG23 VAL 19 2HG2 VAL 19 -1.986 24.486 -12.270
112 H GLY 20 HN GLY 20 -3.344 21.081 -8.501
113 HA2 GLY 20 1HA GLY 20 -0.579 21.377 -7.652
114 HA3 GLY 20 2HA GLY 20 -1.977 21.175 -6.606
115 H THR 21 HN THR 21 -2.558 18.840 -8.662
116 HB THR 21 HB THR 21 -2.163 16.690 -10.031
117 HG1 THR 21 HG1 THR 21 -4.321 16.258 -9.653
118 HG21 THR 21 3HG2 THR 21 -1.122 14.649 -9.362
119 HG22 THR 21 1HG2 THR 21 -2.821 14.289 -9.666
120 HG23 THR 21 2HG2 THR 21 -2.237 14.453 -8.010
121 H GLU 22 HN GLU 22 -0.059 17.830 -9.808
122 HA GLU 22 HA GLU 22 2.009 15.954 -9.554
123 HB2 GLU 22 1HB GLU 22 3.338 17.521 -10.929
124 HB3 GLU 22 2HB GLU 22 1.730 17.246 -11.583
125 HG2 GLU 22 1HG GLU 22 1.016 19.378 -10.486
126 HG3 GLU 22 2HG GLU 22 2.711 19.666 -10.096
127 H PHE 23 HN PHE 23 1.347 18.900 -7.847
128 HA PHE 23 HA PHE 23 3.992 19.203 -6.768
129 HB2 PHE 23 1HB PHE 23 2.278 21.063 -7.104
130 HB3 PHE 23 2HB PHE 23 1.466 20.436 -5.673
131 HD1 PHE 23 HD2 PHE 23 4.874 21.484 -6.772
132 HD2 PHE 23 HD1 PHE 23 1.986 21.375 -3.647
133 HE1 PHE 23 HE2 PHE 23 6.372 22.817 -5.346
134 HE2 PHE 23 HE1 PHE 23 3.479 22.709 -2.217
135 HZ PHE 23 HZ PHE 23 5.676 23.430 -3.065
136 H ALA 24 HN ALA 24 0.857 18.473 -5.224
137 HA ALA 24 HA ALA 24 1.961 17.628 -2.779
138 HB1 ALA 24 1HB ALA 24 -0.246 18.125 -2.525
139 HB2 ALA 24 2HB ALA 24 -0.699 17.426 -4.080
140 HB3 ALA 24 3HB ALA 24 -0.373 16.374 -2.702
141 H ALA 25 HN ALA 25 0.496 15.630 -5.352
142 HB1 ALA 25 1HB ALA 25 0.645 12.176 -6.325
143 HB2 ALA 25 2HB ALA 25 -0.524 13.056 -5.339
144 HB3 ALA 25 3HB ALA 25 0.115 13.786 -6.812
145 H ALA 26 HN ALA 26 3.796 14.497 -4.430
146 HA ALA 26 HA ALA 26 5.136 14.678 -6.878
147 HB1 ALA 26 1HB ALA 26 6.516 15.694 -5.460
148 HB2 ALA 26 2HB ALA 26 5.822 14.854 -4.073
149 HB3 ALA 26 3HB ALA 26 7.103 14.092 -5.014
150 H SER 27 HN SER 27 5.830 12.223 -4.388
151 HA SER 27 HA SER 27 5.461 9.962 -5.967
152 HB2 SER 27 1HB SER 27 8.055 9.508 -6.227
153 HB3 SER 27 2HB SER 27 7.168 10.407 -7.458
154 HG SER 27 HG SER 27 8.527 11.952 -7.076
155 H DTY 28 HN DTY 28 4.888 8.792 -4.240
156 HB2 DTY 28 1HB DTY 28 5.268 10.022 -1.447
157 HB3 DTY 28 2HB DTY 28 6.980 9.653 -1.276
158 HD1 DTY 28 HD1 DTY 28 3.599 8.535 -0.208
159 HD2 DTY 28 HD2 DTY 28 7.771 8.539 0.626
160 HE1 DTY 28 HE1 DTY 28 3.155 7.523 1.989
161 HE2 DTY 28 HE2 DTY 28 7.338 7.529 2.826
162 HH DTY 28 HH DTY 28 4.279 7.388 4.215
163 H PHE 29 HN PHE 29 7.129 7.415 -4.504
164 HA PHE 29 HA PHE 29 8.750 5.446 -3.176
165 HB2 PHE 29 1HB PHE 29 8.459 6.386 -6.012
166 HB3 PHE 29 2HB PHE 29 9.814 5.359 -5.557
167 HD1 PHE 29 HD2 PHE 29 8.787 3.411 -3.783
168 HD2 PHE 29 HD1 PHE 29 6.879 5.184 -7.149
169 HE1 PHE 29 HE2 PHE 29 7.357 1.423 -4.015
170 HE2 PHE 29 HE1 PHE 29 5.445 3.199 -7.386
171 HZ PHE 29 HZ PHE 29 5.684 1.314 -5.819
172 H LEU 30 HN LEU 30 9.317 8.575 -4.742
173 HA LEU 30 HA LEU 30 12.130 8.528 -4.060
174 HB2 LEU 30 1HB LEU 30 10.943 9.595 -6.134
175 HB3 LEU 30 2HB LEU 30 10.706 10.961 -5.045
176 HG LEU 30 HG LEU 30 13.450 9.840 -5.422
177 HD11 LEU 30 1HD1 LEU 30 13.677 11.614 -7.251
178 HD12 LEU 30 2HD1 LEU 30 11.920 11.529 -7.372
179 HD13 LEU 30 3HD1 LEU 30 12.895 10.091 -7.676
180 HD21 LEU 30 3HD2 LEU 30 12.191 12.207 -4.278
181 HD22 LEU 30 1HD2 LEU 30 13.540 12.584 -5.349
182 HD23 LEU 30 2HD2 LEU 30 13.782 11.507 -3.973
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 1.755 -0.753 -4.395
2 HA2 GLY 1 1HA GLY 1 4.227 0.437 -3.740
3 HA3 GLY 1 2HA GLY 1 3.582 0.243 -5.363
4 H TRP 2 HN TRP 2 4.120 2.215 -6.184
5 HA TRP 2 HA TRP 2 3.786 4.664 -4.806
6 HB2 TRP 2 1HB TRP 2 4.273 5.727 -6.930
7 HB3 TRP 2 2HB TRP 2 5.337 4.340 -6.720
8 HD1 TRP 2 HD1 TRP 2 2.382 5.554 -8.829
9 HE1 TRP 2 HE1 TRP 2 2.178 4.044 -10.903
10 HE3 TRP 2 HE3 TRP 2 5.841 2.000 -7.588
11 HZ2 TRP 2 HZ2 TRP 2 3.329 1.660 -11.882
12 HZ3 TRP 2 HZ3 TRP 2 6.229 0.137 -9.148
13 HH2 TRP 2 HH2 TRP 2 4.998 -0.028 -11.250
14 H VAL 3 HN VAL 3 1.647 2.686 -6.679
15 HA VAL 3 HA VAL 3 -0.261 4.596 -7.443
16 HB VAL 3 HB VAL 3 -0.195 2.261 -8.292
17 HG11 VAL 3 1HG1 VAL 3 0.154 1.278 -5.979
18 HG12 VAL 3 2HG1 VAL 3 -1.584 1.474 -5.744
19 HG13 VAL 3 3HG1 VAL 3 -0.979 0.430 -7.031
20 HG21 VAL 3 3HG2 VAL 3 -2.873 2.896 -7.072
21 HG22 VAL 3 1HG2 VAL 3 -2.205 3.774 -8.448
22 HG23 VAL 3 2HG2 VAL 3 -2.540 2.048 -8.582
23 H ALA 4 HN ALA 4 0.332 2.993 -4.404
24 HA ALA 4 HA ALA 4 -2.188 3.696 -3.224
25 HB1 ALA 4 1HB ALA 4 -0.385 3.190 -1.160
26 HB2 ALA 4 2HB ALA 4 -1.527 2.055 -1.880
27 HB3 ALA 4 3HB ALA 4 0.127 2.145 -2.486
28 H CYS 5 HN CYS 5 1.002 5.121 -3.410
29 HA CYS 5 HA CYS 5 0.696 7.021 -1.340
30 HB2 CYS 5 1HB CYS 5 2.543 6.654 -3.647
31 HB3 CYS 5 2HB CYS 5 2.473 8.251 -2.908
32 H VAL 6 HN VAL 6 -0.338 6.930 -4.660
33 HA VAL 6 HA VAL 6 -0.768 9.656 -5.123
34 HB VAL 6 HB VAL 6 -2.370 7.329 -6.195
35 HG11 VAL 6 1HG1 VAL 6 -2.640 9.003 -8.140
36 HG12 VAL 6 2HG1 VAL 6 -3.637 9.213 -6.699
37 HG13 VAL 6 3HG1 VAL 6 -2.213 10.225 -6.943
38 HG21 VAL 6 3HG2 VAL 6 -0.818 7.802 -8.215
39 HG22 VAL 6 1HG2 VAL 6 0.222 8.577 -7.020
40 HG23 VAL 6 2HG2 VAL 6 -0.192 6.871 -6.854
41 H GLY 7 HN GLY 7 -2.546 7.351 -3.232
42 HA2 GLY 7 1HA GLY 7 -5.059 8.592 -3.156
43 HA3 GLY 7 2HA GLY 7 -4.399 7.561 -1.895
44 H ALA 8 HN ALA 8 -2.294 8.970 -0.944
45 HA ALA 8 HA ALA 8 -3.568 10.945 0.655
46 HB1 ALA 8 1HB ALA 8 -0.697 10.094 0.375
47 HB2 ALA 8 2HB ALA 8 -1.221 11.347 1.501
48 HB3 ALA 8 3HB ALA 8 -1.831 9.701 1.667
49 H CYS 9 HN CYS 9 -1.717 11.037 -2.283
50 HA CYS 9 HA CYS 9 -0.868 13.710 -2.235
51 HB2 CYS 9 1HB CYS 9 -1.240 11.625 -4.304
52 HB3 CYS 9 2HB CYS 9 -1.224 13.288 -4.881
53 H GLY 10 HN GLY 10 -3.890 12.236 -3.328
54 HA2 GLY 10 1HA GLY 10 -5.067 14.409 -4.585
55 HA3 GLY 10 2HA GLY 10 -5.954 13.156 -3.730
56 H THR 11 HN THR 11 -4.852 13.693 -1.140
57 HA THR 11 HA THR 11 -6.683 15.564 -0.183
58 HB THR 11 HB THR 11 -4.106 14.904 1.236
59 HG1 THR 11 HG1 THR 11 -6.486 13.343 1.283
60 HG21 THR 11 3HG2 THR 11 -5.069 16.028 2.900
61 HG22 THR 11 1HG2 THR 11 -6.364 14.832 2.924
62 HG23 THR 11 2HG2 THR 11 -6.520 16.281 1.930
63 H VAL 12 HN VAL 12 -3.149 15.932 -0.522
64 HA VAL 12 HA VAL 12 -3.201 18.720 0.081
65 HB VAL 12 HB VAL 12 -1.019 17.125 -1.270
66 HG11 VAL 12 1HG1 VAL 12 -1.282 19.925 -0.509
67 HG12 VAL 12 2HG1 VAL 12 0.151 19.152 0.172
68 HG13 VAL 12 3HG1 VAL 12 -0.111 19.145 -1.572
69 HG21 VAL 12 3HG2 VAL 12 -1.635 16.194 0.912
70 HG22 VAL 12 1HG2 VAL 12 -0.031 16.926 0.949
71 HG23 VAL 12 2HG2 VAL 12 -1.405 17.779 1.652
72 H CYS 13 HN CYS 13 -3.577 16.845 -2.802
73 HA CYS 13 HA CYS 13 -2.815 18.648 -4.772
74 HB2 CYS 13 1HB CYS 13 -3.752 16.178 -4.887
75 HB3 CYS 13 2HB CYS 13 -5.280 17.005 -5.171
76 H LEU 14 HN LEU 14 -5.623 18.629 -2.721
77 HA LEU 14 HA LEU 14 -7.274 20.351 -4.218
78 HB2 LEU 14 1HB LEU 14 -7.126 19.453 -1.397
79 HB3 LEU 14 2HB LEU 14 -8.067 20.905 -1.733
80 HG LEU 14 HG LEU 14 -9.275 19.448 -3.488
81 HD11 LEU 14 1HD1 LEU 14 -7.757 17.571 -3.489
82 HD12 LEU 14 2HD1 LEU 14 -9.337 17.056 -2.900
83 HD13 LEU 14 3HD1 LEU 14 -8.016 17.321 -1.762
84 HD21 LEU 14 3HD2 LEU 14 -10.599 18.354 -1.500
85 HD22 LEU 14 1HD2 LEU 14 -10.617 20.100 -1.748
86 HD23 LEU 14 2HD2 LEU 14 -9.562 19.394 -0.523
87 H ALA 15 HN ALA 15 -5.347 21.127 -1.315
88 HA ALA 15 HA ALA 15 -5.612 23.896 -1.479
89 HB1 ALA 15 1HB ALA 15 -4.793 23.256 0.553
90 HB2 ALA 15 2HB ALA 15 -3.700 22.057 -0.139
91 HB3 ALA 15 3HB ALA 15 -3.295 23.771 -0.222
92 H SER 16 HN SER 16 -3.488 21.718 -3.177
93 HA SER 16 HA SER 16 -1.942 23.946 -4.276
94 HB2 SER 16 1HB SER 16 -0.974 21.657 -3.432
95 HB3 SER 16 2HB SER 16 -1.472 21.079 -5.022
96 HG SER 16 HG SER 16 0.756 22.068 -4.660
97 H GLY 17 HN GLY 17 -4.810 23.258 -4.938
98 HA2 GLY 17 1HA GLY 17 -6.055 23.635 -6.858
99 HA3 GLY 17 2HA GLY 17 -4.560 23.671 -7.781
100 H GLY 18 HN GLY 18 -7.370 22.078 -7.517
101 HA2 GLY 18 1HA GLY 18 -6.605 19.351 -7.570
102 HA3 GLY 18 2HA GLY 18 -8.129 20.004 -8.150
103 H VAL 19 HN VAL 19 -6.390 21.826 -9.931
104 HA VAL 19 HA VAL 19 -6.641 20.314 -12.289
105 HB VAL 19 HB VAL 19 -5.207 22.121 -13.319
106 HG11 VAL 19 1HG1 VAL 19 -7.667 22.224 -13.222
107 HG12 VAL 19 2HG1 VAL 19 -7.554 23.066 -11.675
108 HG13 VAL 19 3HG1 VAL 19 -6.922 23.820 -13.140
109 HG21 VAL 19 3HG2 VAL 19 -3.958 22.579 -11.183
110 HG22 VAL 19 1HG2 VAL 19 -4.553 24.008 -12.028
111 HG23 VAL 19 2HG2 VAL 19 -5.402 23.409 -10.602
112 H GLY 20 HN GLY 20 -4.045 20.643 -9.997
113 HA2 GLY 20 1HA GLY 20 -2.296 19.063 -11.776
114 HA3 GLY 20 2HA GLY 20 -1.713 20.143 -10.518
115 H THR 21 HN THR 21 -4.317 17.754 -10.315
116 HB THR 21 HB THR 21 -4.932 15.257 -10.125
117 HG1 THR 21 HG1 THR 21 -6.192 17.016 -9.577
118 HG21 THR 21 3HG2 THR 21 -5.919 13.840 -8.338
119 HG22 THR 21 1HG2 THR 21 -4.877 14.649 -7.168
120 HG23 THR 21 2HG2 THR 21 -4.167 13.684 -8.461
121 H GLU 22 HN GLU 22 -2.639 15.468 -10.966
122 HA GLU 22 HA GLU 22 -1.124 13.337 -9.944
123 HB2 GLU 22 1HB GLU 22 -0.107 13.210 -12.135
124 HB3 GLU 22 2HB GLU 22 -1.823 13.545 -12.309
125 HG2 GLU 22 1HG GLU 22 -1.396 15.841 -12.806
126 HG3 GLU 22 2HG GLU 22 0.315 15.656 -12.424
127 H PHE 23 HN PHE 23 -0.422 16.725 -10.308
128 HA PHE 23 HA PHE 23 2.411 16.497 -10.032
129 HB2 PHE 23 1HB PHE 23 0.995 18.459 -10.999
130 HB3 PHE 23 2HB PHE 23 0.873 18.975 -9.321
131 HD1 PHE 23 HD2 PHE 23 2.872 19.671 -8.088
132 HD2 PHE 23 HD1 PHE 23 3.038 18.653 -12.217
133 HE1 PHE 23 HE2 PHE 23 5.065 20.771 -8.267
134 HE2 PHE 23 HE1 PHE 23 5.233 19.750 -12.403
135 HZ PHE 23 HZ PHE 23 6.249 20.812 -10.426
136 H ALA 24 HN ALA 24 -0.273 17.060 -7.820
137 HA ALA 24 HA ALA 24 1.188 17.747 -5.535
138 HB1 ALA 24 1HB ALA 24 -1.306 17.904 -5.859
139 HB2 ALA 24 2HB ALA 24 -1.377 16.175 -5.516
140 HB3 ALA 24 3HB ALA 24 -0.775 17.293 -4.292
141 H ALA 25 HN ALA 25 0.586 14.659 -7.036
142 HB1 ALA 25 1HB ALA 25 1.280 12.349 -7.734
143 HB2 ALA 25 2HB ALA 25 1.375 11.206 -6.393
144 HB3 ALA 25 3HB ALA 25 -0.073 12.189 -6.613
145 H ALA 26 HN ALA 26 3.289 14.189 -4.178
146 HA ALA 26 HA ALA 26 5.575 14.355 -5.808
147 HB1 ALA 26 1HB ALA 26 6.623 14.209 -3.309
148 HB2 ALA 26 2HB ALA 26 5.953 15.673 -4.030
149 HB3 ALA 26 3HB ALA 26 4.962 14.685 -2.957
150 H SER 27 HN SER 27 5.123 12.153 -3.035
151 HA SER 27 HA SER 27 5.702 9.775 -4.359
152 HB2 SER 27 1HB SER 27 8.029 11.403 -3.932
153 HB3 SER 27 2HB SER 27 8.153 9.943 -2.952
154 HG SER 27 HG SER 27 8.034 10.224 -5.733
155 H DTY 28 HN DTY 28 4.419 8.660 -3.022
156 HB2 DTY 28 1HB DTY 28 3.301 10.089 -0.538
157 HB3 DTY 28 2HB DTY 28 4.722 9.898 0.483
158 HD1 DTY 28 HD1 DTY 28 4.528 8.983 2.630
159 HD2 DTY 28 HD2 DTY 28 1.322 8.527 -0.129
160 HE1 DTY 28 HE1 DTY 28 3.120 8.069 4.427
161 HE2 DTY 28 HE2 DTY 28 -0.095 7.611 1.660
162 HH DTY 28 HH DTY 28 -0.209 7.730 4.161
163 H PHE 29 HN PHE 29 6.571 7.495 -2.020
164 HA PHE 29 HA PHE 29 7.432 5.787 0.129
165 HB2 PHE 29 1HB PHE 29 7.796 5.283 -2.308
166 HB3 PHE 29 2HB PHE 29 8.978 6.587 -2.342
167 HD1 PHE 29 HD2 PHE 29 8.213 3.285 -0.885
168 HD2 PHE 29 HD1 PHE 29 11.172 6.274 -1.540
169 HE1 PHE 29 HE2 PHE 29 9.956 1.719 -0.134
170 HE2 PHE 29 HE1 PHE 29 12.920 4.712 -0.791
171 HZ PHE 29 HZ PHE 29 12.313 2.432 -0.086
172 H LEU 30 HN LEU 30 8.075 9.020 -0.948
173 HA LEU 30 HA LEU 30 10.467 9.281 0.678
174 HB2 LEU 30 1HB LEU 30 10.468 10.425 -1.422
175 HB3 LEU 30 2HB LEU 30 8.941 11.220 -1.048
176 HG LEU 30 HG LEU 30 10.053 12.537 0.691
177 HD11 LEU 30 1HD1 LEU 30 11.785 10.929 1.304
178 HD12 LEU 30 2HD1 LEU 30 12.479 12.501 0.908
179 HD13 LEU 30 3HD1 LEU 30 12.573 11.178 -0.254
180 HD21 LEU 30 3HD2 LEU 30 11.476 13.904 -0.812
181 HD22 LEU 30 1HD2 LEU 30 9.906 13.499 -1.507
182 HD23 LEU 30 2HD2 LEU 30 11.351 12.633 -2.029
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 3.352 -1.372 -0.412
2 HA2 GLY 1 1HA GLY 1 1.378 -0.095 -0.532
3 HA3 GLY 1 2HA GLY 1 2.361 0.842 0.584
4 H TRP 2 HN TRP 2 3.089 0.516 -2.828
5 HA TRP 2 HA TRP 2 3.312 3.301 -3.205
6 HB2 TRP 2 1HB TRP 2 3.660 2.793 -5.545
7 HB3 TRP 2 2HB TRP 2 4.493 1.585 -4.570
8 HD1 TRP 2 HD1 TRP 2 3.458 -0.906 -4.558
9 HE1 TRP 2 HE1 TRP 2 1.938 -2.119 -6.245
10 HE3 TRP 2 HE3 TRP 2 1.758 3.142 -7.177
11 HZ2 TRP 2 HZ2 TRP 2 0.244 -1.448 -8.401
12 HZ3 TRP 2 HZ3 TRP 2 0.191 2.771 -9.037
13 HH2 TRP 2 HH2 TRP 2 -0.549 0.522 -9.635
14 H VAL 3 HN VAL 3 0.666 1.064 -3.613
15 HA VAL 3 HA VAL 3 -0.998 2.626 -5.252
16 HB VAL 3 HB VAL 3 -1.458 0.269 -4.853
17 HG11 VAL 3 1HG1 VAL 3 -0.742 0.361 -2.428
18 HG12 VAL 3 2HG1 VAL 3 -2.351 0.993 -2.073
19 HG13 VAL 3 3HG1 VAL 3 -2.170 -0.613 -2.779
20 HG21 VAL 3 3HG2 VAL 3 -3.836 1.576 -3.643
21 HG22 VAL 3 1HG2 VAL 3 -3.291 2.146 -5.221
22 HG23 VAL 3 2HG2 VAL 3 -3.729 0.452 -4.998
23 H ALA 4 HN ALA 4 -0.247 2.806 -1.871
24 HA ALA 4 HA ALA 4 -2.513 4.433 -1.167
25 HB1 ALA 4 1HB ALA 4 -0.416 4.716 0.730
26 HB2 ALA 4 2HB ALA 4 -1.923 3.812 0.878
27 HB3 ALA 4 3HB ALA 4 -0.485 3.028 0.226
28 H CYS 5 HN CYS 5 0.881 4.979 -1.965
29 HA CYS 5 HA CYS 5 0.913 7.744 -1.348
30 HB2 CYS 5 1HB CYS 5 2.696 5.816 -2.682
31 HB3 CYS 5 2HB CYS 5 2.855 7.475 -3.249
32 H VAL 6 HN VAL 6 0.416 5.960 -4.374
33 HA VAL 6 HA VAL 6 0.223 8.150 -6.098
34 HB VAL 6 HB VAL 6 0.418 5.895 -6.964
35 HG11 VAL 6 1HG1 VAL 6 -2.357 5.460 -5.863
36 HG12 VAL 6 2HG1 VAL 6 -1.471 4.328 -6.887
37 HG13 VAL 6 3HG1 VAL 6 -0.872 4.716 -5.274
38 HG21 VAL 6 3HG2 VAL 6 -0.604 6.509 -8.846
39 HG22 VAL 6 1HG2 VAL 6 -2.197 6.359 -8.105
40 HG23 VAL 6 2HG2 VAL 6 -1.288 7.862 -7.945
41 H GLY 7 HN GLY 7 -2.138 6.697 -3.947
42 HA2 GLY 7 1HA GLY 7 -4.326 8.263 -5.024
43 HA3 GLY 7 2HA GLY 7 -4.401 7.165 -3.655
44 H ALA 8 HN ALA 8 -2.127 8.413 -2.300
45 HA ALA 8 HA ALA 8 -3.565 10.383 -0.838
46 HB1 ALA 8 1HB ALA 8 -0.649 9.620 -0.737
47 HB2 ALA 8 2HB ALA 8 -1.472 10.654 0.431
48 HB3 ALA 8 3HB ALA 8 -1.944 8.963 0.264
49 H CYS 9 HN CYS 9 -1.112 10.498 -3.348
50 HA CYS 9 HA CYS 9 -0.260 13.117 -3.167
51 HB2 CYS 9 1HB CYS 9 -0.312 11.053 -5.214
52 HB3 CYS 9 2HB CYS 9 -0.489 12.662 -5.907
53 H GLY 10 HN GLY 10 -3.202 11.845 -4.657
54 HA2 GLY 10 1HA GLY 10 -4.041 14.349 -5.745
55 HA3 GLY 10 2HA GLY 10 -5.035 12.911 -5.558
56 H THR 11 HN THR 11 -4.463 12.770 -2.660
57 HA THR 11 HA THR 11 -6.695 14.120 -1.693
58 HB THR 11 HB THR 11 -4.270 13.236 -0.116
59 HG1 THR 11 HG1 THR 11 -5.338 11.300 0.075
60 HG21 THR 11 3HG2 THR 11 -5.996 13.043 1.731
61 HG22 THR 11 1HG2 THR 11 -7.064 14.002 0.708
62 HG23 THR 11 2HG2 THR 11 -5.537 14.682 1.270
63 H VAL 12 HN VAL 12 -3.336 15.133 -1.887
64 HA VAL 12 HA VAL 12 -3.681 17.491 -0.301
65 HB VAL 12 HB VAL 12 -1.487 16.916 -2.294
66 HG11 VAL 12 1HG1 VAL 12 -0.179 18.430 -0.822
67 HG12 VAL 12 2HG1 VAL 12 -1.530 19.227 -1.630
68 HG13 VAL 12 3HG1 VAL 12 -1.658 18.778 0.071
69 HG21 VAL 12 3HG2 VAL 12 -2.031 15.825 0.390
70 HG22 VAL 12 1HG2 VAL 12 -1.097 15.149 -0.945
71 HG23 VAL 12 2HG2 VAL 12 -0.379 16.372 0.103
72 H CYS 13 HN CYS 13 -3.720 16.754 -3.748
73 HA CYS 13 HA CYS 13 -3.695 19.335 -4.783
74 HB2 CYS 13 1HB CYS 13 -4.768 16.713 -5.728
75 HB3 CYS 13 2HB CYS 13 -5.228 18.168 -6.605
76 H LEU 14 HN LEU 14 -6.228 17.587 -3.174
77 HA LEU 14 HA LEU 14 -8.440 19.090 -4.059
78 HB2 LEU 14 1HB LEU 14 -7.973 16.965 -2.295
79 HB3 LEU 14 2HB LEU 14 -8.737 18.226 -1.329
80 HG LEU 14 HG LEU 14 -10.343 16.589 -2.241
81 HD11 LEU 14 1HD1 LEU 14 -11.228 18.893 -3.738
82 HD12 LEU 14 2HD1 LEU 14 -10.532 19.361 -2.187
83 HD13 LEU 14 3HD1 LEU 14 -11.864 18.207 -2.243
84 HD21 LEU 14 3HD2 LEU 14 -9.818 17.760 -4.953
85 HD22 LEU 14 1HD2 LEU 14 -10.740 16.319 -4.526
86 HD23 LEU 14 2HD2 LEU 14 -8.981 16.310 -4.395
87 H ALA 15 HN ALA 15 -6.166 19.550 -1.405
88 HA ALA 15 HA ALA 15 -7.453 21.594 -0.027
89 HB1 ALA 15 1HB ALA 15 -5.052 20.295 0.202
90 HB2 ALA 15 2HB ALA 15 -4.561 21.943 -0.193
91 HB3 ALA 15 3HB ALA 15 -5.590 21.641 1.207
92 H SER 16 HN SER 16 -5.667 21.667 -3.026
93 HA SER 16 HA SER 16 -5.819 24.594 -3.104
94 HB2 SER 16 1HB SER 16 -4.398 22.727 -5.016
95 HB3 SER 16 2HB SER 16 -4.248 24.483 -4.950
96 HG SER 16 HG SER 16 -3.440 22.616 -2.971
97 H GLY 17 HN GLY 17 -7.337 21.787 -4.318
98 HA2 GLY 17 1HA GLY 17 -9.522 22.070 -5.342
99 HA3 GLY 17 2HA GLY 17 -8.875 23.460 -6.201
100 H GLY 18 HN GLY 18 -6.343 21.752 -6.607
101 HA2 GLY 18 1HA GLY 18 -5.980 19.694 -7.915
102 HA3 GLY 18 2HA GLY 18 -7.427 20.118 -8.819
103 H VAL 19 HN VAL 19 -5.213 22.621 -7.923
104 HA VAL 19 HA VAL 19 -4.843 23.472 -10.585
105 HB VAL 19 HB VAL 19 -3.193 24.166 -8.150
106 HG11 VAL 19 1HG1 VAL 19 -2.982 24.918 -10.934
107 HG12 VAL 19 2HG1 VAL 19 -3.244 26.324 -9.901
108 HG13 VAL 19 3HG1 VAL 19 -1.884 25.243 -9.593
109 HG21 VAL 19 3HG2 VAL 19 -4.632 26.076 -7.893
110 HG22 VAL 19 1HG2 VAL 19 -5.522 25.654 -9.356
111 HG23 VAL 19 2HG2 VAL 19 -5.627 24.621 -7.931
112 H GLY 20 HN GLY 20 -2.762 21.645 -8.369
113 HA2 GLY 20 1HA GLY 20 -1.175 20.812 -10.709
114 HA3 GLY 20 2HA GLY 20 -0.369 21.373 -9.251
115 H THR 21 HN THR 21 -3.083 19.155 -9.910
116 HB THR 21 HB THR 21 -3.653 16.725 -10.577
117 HG1 THR 21 HG1 THR 21 -5.728 16.848 -9.250
118 HG21 THR 21 3HG2 THR 21 -4.881 14.896 -9.284
119 HG22 THR 21 1HG2 THR 21 -3.747 15.219 -7.974
120 HG23 THR 21 2HG2 THR 21 -3.151 14.669 -9.540
121 H GLU 22 HN GLU 22 -1.336 17.092 -11.063
122 HA GLU 22 HA GLU 22 0.131 14.758 -10.537
123 HB2 GLU 22 1HB GLU 22 1.414 15.330 -12.556
124 HB3 GLU 22 2HB GLU 22 -0.316 15.515 -12.808
125 HG2 GLU 22 1HG GLU 22 -0.112 17.925 -12.523
126 HG3 GLU 22 2HG GLU 22 1.620 17.750 -12.242
127 H PHE 23 HN PHE 23 0.769 18.102 -9.849
128 HA PHE 23 HA PHE 23 3.576 17.810 -9.400
129 HB2 PHE 23 1HB PHE 23 2.127 19.962 -9.863
130 HB3 PHE 23 2HB PHE 23 1.976 19.983 -8.109
131 HD1 PHE 23 HD1 PHE 23 4.329 20.210 -10.924
132 HD2 PHE 23 HD2 PHE 23 3.811 20.585 -6.716
133 HE1 PHE 23 HE1 PHE 23 6.522 21.314 -10.755
134 HE2 PHE 23 HE2 PHE 23 6.001 21.691 -6.541
135 HZ PHE 23 HZ PHE 23 7.360 22.057 -8.562
136 H ALA 24 HN ALA 24 0.709 17.847 -7.327
137 HA ALA 24 HA ALA 24 2.002 17.772 -4.848
138 HB1 ALA 24 1HB ALA 24 -0.375 18.239 -5.074
139 HB2 ALA 24 2HB ALA 24 -0.663 16.584 -5.613
140 HB3 ALA 24 3HB ALA 24 -0.106 16.892 -3.968
141 H ALA 25 HN ALA 25 1.530 15.315 -7.240
142 HB1 ALA 25 1HB ALA 25 0.698 12.752 -7.512
143 HB2 ALA 25 2HB ALA 25 2.048 13.309 -8.501
144 HB3 ALA 25 3HB ALA 25 2.177 11.795 -7.606
145 H ALA 26 HN ALA 26 3.928 14.296 -4.570
146 HA ALA 26 HA ALA 26 6.334 14.477 -6.015
147 HB1 ALA 26 1HB ALA 26 5.487 14.753 -3.254
148 HB2 ALA 26 2HB ALA 26 7.095 14.042 -3.395
149 HB3 ALA 26 3HB ALA 26 6.753 15.604 -4.139
150 H SER 27 HN SER 27 5.866 12.209 -3.321
151 HA SER 27 HA SER 27 6.248 9.828 -4.708
152 HB2 SER 27 1HB SER 27 8.734 11.316 -4.106
153 HB3 SER 27 2HB SER 27 8.747 9.606 -3.679
154 HG SER 27 HG SER 27 7.746 9.529 -5.996
155 H DTY 28 HN DTY 28 4.752 9.153 -3.180
156 HB2 DTY 28 1HB DTY 28 5.734 10.166 0.175
157 HB3 DTY 28 2HB DTY 28 4.316 9.315 0.776
158 HD1 DTY 28 HD1 DTY 28 2.070 9.829 -0.233
159 HD2 DTY 28 HD2 DTY 28 5.523 12.177 -1.049
160 HE1 DTY 28 HE1 DTY 28 0.630 11.660 -1.023
161 HE2 DTY 28 HE2 DTY 28 4.093 14.014 -1.843
162 HH DTY 28 HH DTY 28 1.965 14.798 -1.900
163 H PHE 29 HN PHE 29 6.570 7.239 -2.539
164 HA PHE 29 HA PHE 29 7.465 5.484 -0.453
165 HB2 PHE 29 1HB PHE 29 8.770 4.398 -2.157
166 HB3 PHE 29 2HB PHE 29 7.199 4.792 -2.846
167 HD1 PHE 29 HD1 PHE 29 10.767 5.660 -2.809
168 HD2 PHE 29 HD2 PHE 29 6.986 6.355 -4.636
169 HE1 PHE 29 HE1 PHE 29 11.881 6.845 -4.655
170 HE2 PHE 29 HE2 PHE 29 8.094 7.541 -6.486
171 HZ PHE 29 HZ PHE 29 10.544 7.787 -6.497
172 H LEU 30 HN LEU 30 8.629 8.393 -1.964
173 HA LEU 30 HA LEU 30 11.274 8.142 -0.794
174 HB2 LEU 30 1HB LEU 30 10.945 9.110 -3.044
175 HB3 LEU 30 2HB LEU 30 10.042 10.436 -2.313
176 HG LEU 30 HG LEU 30 12.189 10.922 -0.998
177 HD11 LEU 30 1HD1 LEU 30 13.940 9.977 -3.028
178 HD12 LEU 30 2HD1 LEU 30 13.015 8.610 -2.407
179 HD13 LEU 30 3HD1 LEU 30 13.951 9.616 -1.301
180 HD21 LEU 30 3HD2 LEU 30 11.847 11.355 -3.949
181 HD22 LEU 30 1HD2 LEU 30 13.196 12.057 -3.055
182 HD23 LEU 30 2HD2 LEU 30 11.538 12.477 -2.622
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 2.066 0.733 -1.201
2 HA2 GLY 1 1HA GLY 1 3.193 0.666 -3.770
3 HA3 GLY 1 2HA GLY 1 1.495 0.404 -3.399
4 H TRP 2 HN TRP 2 1.604 1.507 -5.659
5 HA TRP 2 HA TRP 2 2.074 4.294 -5.794
6 HB2 TRP 2 1HB TRP 2 0.264 2.633 -7.561
7 HB3 TRP 2 2HB TRP 2 0.966 4.201 -7.953
8 HD1 TRP 2 HD1 TRP 2 1.820 0.496 -7.782
9 HE1 TRP 2 HE1 TRP 2 4.105 0.114 -8.904
10 HE3 TRP 2 HE3 TRP 2 3.230 5.367 -8.432
11 HZ2 TRP 2 HZ2 TRP 2 6.224 1.671 -9.929
12 HZ3 TRP 2 HZ3 TRP 2 5.401 5.835 -9.491
13 HH2 TRP 2 HH2 TRP 2 6.866 4.024 -10.222
14 H VAL 3 HN VAL 3 -0.918 2.402 -5.450
15 HA VAL 3 HA VAL 3 -2.690 4.578 -5.364
16 HB VAL 3 HB VAL 3 -3.476 2.294 -5.704
17 HG11 VAL 3 1HG1 VAL 3 -2.966 1.767 -2.788
18 HG12 VAL 3 2HG1 VAL 3 -3.447 0.621 -4.041
19 HG13 VAL 3 3HG1 VAL 3 -1.823 1.310 -4.050
20 HG21 VAL 3 3HG2 VAL 3 -4.789 2.989 -3.141
21 HG22 VAL 3 1HG2 VAL 3 -4.785 4.220 -4.404
22 HG23 VAL 3 2HG2 VAL 3 -5.495 2.636 -4.718
23 H ALA 4 HN ALA 4 -0.654 3.138 -2.925
24 HA ALA 4 HA ALA 4 -1.940 4.372 -0.687
25 HB1 ALA 4 1HB ALA 4 -0.335 3.365 0.626
26 HB2 ALA 4 2HB ALA 4 -0.378 2.290 -0.771
27 HB3 ALA 4 3HB ALA 4 0.911 3.484 -0.617
28 H CYS 5 HN CYS 5 0.878 5.134 -2.687
29 HA CYS 5 HA CYS 5 1.742 7.365 -1.178
30 HB2 CYS 5 1HB CYS 5 2.321 6.237 -3.861
31 HB3 CYS 5 2HB CYS 5 2.703 7.939 -3.624
32 H VAL 6 HN VAL 6 -0.662 6.945 -3.666
33 HA VAL 6 HA VAL 6 -0.969 9.620 -4.467
34 HB VAL 6 HB VAL 6 -3.064 7.445 -4.361
35 HG11 VAL 6 1HG1 VAL 6 -3.010 10.162 -5.623
36 HG12 VAL 6 2HG1 VAL 6 -4.003 8.867 -6.294
37 HG13 VAL 6 3HG1 VAL 6 -4.269 9.418 -4.639
38 HG21 VAL 6 3HG2 VAL 6 -2.032 6.502 -6.087
39 HG22 VAL 6 1HG2 VAL 6 -2.095 8.019 -6.983
40 HG23 VAL 6 2HG2 VAL 6 -0.725 7.675 -5.927
41 H GLY 7 HN GLY 7 -2.369 7.794 -1.791
42 HA2 GLY 7 1HA GLY 7 -4.125 9.933 -0.995
43 HA3 GLY 7 2HA GLY 7 -3.815 8.449 -0.105
44 H ALA 8 HN ALA 8 -1.008 8.675 0.108
45 HA ALA 8 HA ALA 8 -0.814 10.326 2.400
46 HB1 ALA 8 1HB ALA 8 0.527 8.193 1.716
47 HB2 ALA 8 2HB ALA 8 1.615 9.360 0.962
48 HB3 ALA 8 3HB ALA 8 1.292 9.447 2.693
49 H CYS 9 HN CYS 9 -0.366 10.926 -0.948
50 HA CYS 9 HA CYS 9 1.539 12.920 -1.022
51 HB2 CYS 9 1HB CYS 9 -0.834 12.225 -2.656
52 HB3 CYS 9 2HB CYS 9 -0.204 13.857 -2.857
53 H GLY 10 HN GLY 10 -1.927 13.719 -1.169
54 HA2 GLY 10 1HA GLY 10 -2.137 15.304 1.083
55 HA3 GLY 10 2HA GLY 10 -1.485 16.351 -0.168
56 H THR 11 HN THR 11 -4.266 15.353 1.277
57 HA THR 11 HA THR 11 -6.083 15.040 -0.830
58 HB THR 11 HB THR 11 -7.728 16.077 0.951
59 HG1 THR 11 HG1 THR 11 -6.351 16.905 2.440
60 HG21 THR 11 3HG2 THR 11 -6.406 13.447 0.767
61 HG22 THR 11 1HG2 THR 11 -8.120 13.859 0.737
62 HG23 THR 11 2HG2 THR 11 -7.261 13.767 2.275
63 H VAL 12 HN VAL 12 -4.407 17.809 0.262
64 HA VAL 12 HA VAL 12 -6.280 19.795 -0.557
65 HB VAL 12 HB VAL 12 -3.287 20.048 -0.221
66 HG11 VAL 12 1HG1 VAL 12 -5.465 21.979 -0.781
67 HG12 VAL 12 2HG1 VAL 12 -4.205 22.479 0.349
68 HG13 VAL 12 3HG1 VAL 12 -3.778 21.993 -1.292
69 HG21 VAL 12 3HG2 VAL 12 -4.339 21.222 1.963
70 HG22 VAL 12 1HG2 VAL 12 -5.523 19.942 1.698
71 HG23 VAL 12 2HG2 VAL 12 -3.820 19.538 1.914
72 H CYS 13 HN CYS 13 -4.079 17.776 -2.228
73 HA CYS 13 HA CYS 13 -3.344 19.316 -4.417
74 HB2 CYS 13 1HB CYS 13 -2.824 16.802 -3.707
75 HB3 CYS 13 2HB CYS 13 -4.089 16.469 -4.885
76 H LEU 14 HN LEU 14 -6.027 16.962 -4.386
77 HA LEU 14 HA LEU 14 -7.183 17.895 -6.779
78 HB2 LEU 14 1HB LEU 14 -7.664 15.687 -6.012
79 HB3 LEU 14 2HB LEU 14 -8.312 16.297 -4.491
80 HG LEU 14 HG LEU 14 -10.142 17.385 -5.881
81 HD11 LEU 14 1HD1 LEU 14 -9.275 17.348 -8.062
82 HD12 LEU 14 2HD1 LEU 14 -10.546 16.126 -8.051
83 HD13 LEU 14 3HD1 LEU 14 -8.853 15.639 -7.957
84 HD21 LEU 14 3HD2 LEU 14 -9.847 14.401 -5.636
85 HD22 LEU 14 1HD2 LEU 14 -11.341 15.177 -6.162
86 HD23 LEU 14 2HD2 LEU 14 -10.694 15.508 -4.554
87 H ALA 15 HN ALA 15 -7.834 18.637 -3.385
88 HA ALA 15 HA ALA 15 -10.143 20.164 -3.700
89 HB1 ALA 15 1HB ALA 15 -7.939 20.508 -1.670
90 HB2 ALA 15 2HB ALA 15 -9.561 21.190 -1.552
91 HB3 ALA 15 3HB ALA 15 -9.336 19.441 -1.523
92 H SER 16 HN SER 16 -6.762 21.021 -4.127
93 HA SER 16 HA SER 16 -7.519 23.786 -4.748
94 HB2 SER 16 1HB SER 16 -4.853 22.488 -4.172
95 HB3 SER 16 2HB SER 16 -5.000 24.141 -4.766
96 HG SER 16 HG SER 16 -5.616 24.764 -2.852
97 H GLY 17 HN GLY 17 -7.910 21.338 -6.478
98 HA2 GLY 17 1HA GLY 17 -8.113 21.423 -8.846
99 HA3 GLY 17 2HA GLY 17 -6.743 22.522 -8.896
100 H GLY 18 HN GLY 18 -7.611 19.605 -9.874
101 HA2 GLY 18 1HA GLY 18 -5.672 17.810 -8.967
102 HA3 GLY 18 2HA GLY 18 -6.467 17.728 -10.532
103 H VAL 19 HN VAL 19 -5.336 20.532 -11.041
104 HA VAL 19 HA VAL 19 -3.116 19.730 -12.570
105 HB VAL 19 HB VAL 19 -4.403 21.720 -13.138
106 HG11 VAL 19 1HG1 VAL 19 -3.153 23.073 -10.755
107 HG12 VAL 19 2HG1 VAL 19 -4.374 23.721 -11.852
108 HG13 VAL 19 3HG1 VAL 19 -4.786 22.407 -10.750
109 HG21 VAL 19 3HG2 VAL 19 -1.581 21.527 -13.084
110 HG22 VAL 19 1HG2 VAL 19 -2.594 22.431 -14.210
111 HG23 VAL 19 2HG2 VAL 19 -2.002 23.204 -12.739
112 H GLY 20 HN GLY 20 -3.391 21.040 -9.322
113 HA2 GLY 20 1HA GLY 20 -0.525 21.388 -9.052
114 HA3 GLY 20 2HA GLY 20 -1.734 21.670 -7.809
115 H THR 21 HN THR 21 -2.402 18.716 -9.087
116 HB THR 21 HB THR 21 -2.064 16.279 -9.664
117 HG1 THR 21 HG1 THR 21 -4.173 15.590 -8.572
118 HG21 THR 21 3HG2 THR 21 -1.986 14.754 -7.064
119 HG22 THR 21 1HG2 THR 21 -0.920 14.567 -8.455
120 HG23 THR 21 2HG2 THR 21 -2.611 14.081 -8.569
121 H GLU 22 HN GLU 22 0.252 18.109 -9.477
122 HA GLU 22 HA GLU 22 2.253 16.171 -9.179
123 HB2 GLU 22 1HB GLU 22 2.029 17.777 -11.089
124 HB3 GLU 22 2HB GLU 22 2.646 19.041 -10.035
125 HG2 GLU 22 1HG GLU 22 4.528 18.395 -11.188
126 HG3 GLU 22 2HG GLU 22 4.658 17.457 -9.702
127 H PHE 23 HN PHE 23 1.503 19.006 -7.328
128 HA PHE 23 HA PHE 23 4.051 19.166 -6.011
129 HB2 PHE 23 1HB PHE 23 1.400 20.523 -5.680
130 HB3 PHE 23 2HB PHE 23 2.611 20.658 -4.409
131 HD1 PHE 23 HD2 PHE 23 4.889 21.580 -5.019
132 HD2 PHE 23 HD1 PHE 23 1.505 21.862 -7.586
133 HE1 PHE 23 HE2 PHE 23 5.982 23.405 -6.254
134 HE2 PHE 23 HE1 PHE 23 2.594 23.686 -8.826
135 HZ PHE 23 HZ PHE 23 4.835 24.461 -8.160
136 H ALA 24 HN ALA 24 0.782 18.414 -4.790
137 HA ALA 24 HA ALA 24 1.657 17.370 -2.329
138 HB1 ALA 24 1HB ALA 24 -0.722 18.109 -3.191
139 HB2 ALA 24 2HB ALA 24 -0.877 16.386 -3.535
140 HB3 ALA 24 3HB ALA 24 -0.542 16.930 -1.891
141 H ALA 25 HN ALA 25 0.373 15.600 -5.154
142 HB1 ALA 25 1HB ALA 25 0.530 12.221 -6.360
143 HB2 ALA 25 2HB ALA 25 -0.700 13.063 -5.417
144 HB3 ALA 25 3HB ALA 25 0.082 13.876 -6.773
145 H ALA 26 HN ALA 26 3.555 14.309 -4.036
146 HA ALA 26 HA ALA 26 5.102 14.605 -6.356
147 HB1 ALA 26 1HB ALA 26 5.764 15.568 -4.227
148 HB2 ALA 26 2HB ALA 26 5.999 13.956 -3.551
149 HB3 ALA 26 3HB ALA 26 7.041 14.525 -4.854
150 H SER 27 HN SER 27 5.588 12.032 -3.941
151 HA SER 27 HA SER 27 5.302 9.845 -5.637
152 HB2 SER 27 1HB SER 27 7.111 10.400 -6.990
153 HB3 SER 27 2HB SER 27 8.026 11.100 -5.655
154 HG SER 27 HG SER 27 8.133 8.616 -6.621
155 H DTY 28 HN DTY 28 4.565 8.678 -3.957
156 HB2 DTY 28 1HB DTY 28 4.877 9.788 -1.105
157 HB3 DTY 28 2HB DTY 28 6.564 9.335 -0.883
158 HD1 DTY 28 HD1 DTY 28 3.097 8.327 0.010
159 HD2 DTY 28 HD2 DTY 28 7.228 8.130 1.011
160 HE1 DTY 28 HE1 DTY 28 2.521 7.261 2.151
161 HE2 DTY 28 HE2 DTY 28 6.663 7.065 3.155
162 HH DTY 28 HH DTY 28 3.504 5.898 3.852
163 H PHE 29 HN PHE 29 6.745 7.197 -4.176
164 HA PHE 29 HA PHE 29 8.195 5.092 -2.870
165 HB2 PHE 29 1HB PHE 29 7.975 6.142 -5.648
166 HB3 PHE 29 2HB PHE 29 9.413 5.212 -5.240
167 HD1 PHE 29 HD2 PHE 29 9.265 2.856 -4.709
168 HD2 PHE 29 HD1 PHE 29 5.794 5.109 -5.709
169 HE1 PHE 29 HE2 PHE 29 8.010 0.767 -5.047
170 HE2 PHE 29 HE1 PHE 29 4.534 3.024 -6.048
171 HZ PHE 29 HZ PHE 29 5.642 0.849 -5.718
172 H LEU 30 HN LEU 30 9.005 8.268 -4.214
173 HA LEU 30 HA LEU 30 11.770 8.031 -3.384
174 HB2 LEU 30 1HB LEU 30 10.294 9.620 -5.227
175 HB3 LEU 30 2HB LEU 30 11.122 10.697 -4.104
176 HG LEU 30 HG LEU 30 12.380 10.237 -6.199
177 HD11 LEU 30 1HD1 LEU 30 14.158 9.031 -4.239
178 HD12 LEU 30 2HD1 LEU 30 13.294 10.433 -3.612
179 HD13 LEU 30 3HD1 LEU 30 14.272 10.582 -5.072
180 HD21 LEU 30 3HD2 LEU 30 13.015 8.168 -6.863
181 HD22 LEU 30 1HD2 LEU 30 11.565 7.699 -5.976
182 HD23 LEU 30 2HD2 LEU 30 13.149 7.557 -5.213
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 2.490 0.006 0.183
2 HA2 GLY 1 1HA GLY 1 1.711 -1.000 -1.888
3 HA3 GLY 1 2HA GLY 1 0.095 -0.441 -1.483
4 H TRP 2 HN TRP 2 1.582 0.022 -3.924
5 HA TRP 2 HA TRP 2 2.561 2.703 -3.925
6 HB2 TRP 2 1HB TRP 2 1.747 0.852 -6.171
7 HB3 TRP 2 2HB TRP 2 2.456 2.444 -6.424
8 HD1 TRP 2 HD1 TRP 2 4.753 2.334 -4.241
9 HE1 TRP 2 HE1 TRP 2 6.773 0.779 -4.596
10 HE3 TRP 2 HE3 TRP 2 2.676 -0.946 -7.567
11 HZ2 TRP 2 HZ2 TRP 2 7.403 -1.532 -6.089
12 HZ3 TRP 2 HZ3 TRP 2 4.055 -2.801 -8.411
13 HH2 TRP 2 HH2 TRP 2 6.369 -3.086 -7.687
14 H VAL 3 HN VAL 3 -0.535 1.187 -4.573
15 HA VAL 3 HA VAL 3 -1.824 3.342 -5.823
16 HB VAL 3 HB VAL 3 -3.115 1.301 -4.010
17 HG11 VAL 3 1HG1 VAL 3 -4.957 1.727 -5.841
18 HG12 VAL 3 2HG1 VAL 3 -4.796 2.797 -4.447
19 HG13 VAL 3 3HG1 VAL 3 -4.119 3.269 -6.006
20 HG21 VAL 3 3HG2 VAL 3 -3.483 0.526 -6.656
21 HG22 VAL 3 1HG2 VAL 3 -1.782 0.983 -6.554
22 HG23 VAL 3 2HG2 VAL 3 -2.433 -0.242 -5.464
23 H ALA 4 HN ALA 4 -0.981 2.781 -2.516
24 HA ALA 4 HA ALA 4 -2.855 4.595 -1.355
25 HB1 ALA 4 1HB ALA 4 -0.619 2.945 -0.432
26 HB2 ALA 4 2HB ALA 4 -0.832 4.449 0.464
27 HB3 ALA 4 3HB ALA 4 -2.165 3.301 0.340
28 H CYS 5 HN CYS 5 0.262 4.910 -2.843
29 HA CYS 5 HA CYS 5 1.048 7.373 -1.715
30 HB2 CYS 5 1HB CYS 5 2.351 5.640 -3.213
31 HB3 CYS 5 2HB CYS 5 1.775 6.659 -4.528
32 H VAL 6 HN VAL 6 -1.250 6.552 -4.160
33 HA VAL 6 HA VAL 6 -1.370 8.931 -5.619
34 HB VAL 6 HB VAL 6 -3.703 7.140 -4.929
35 HG11 VAL 6 1HG1 VAL 6 -3.663 8.337 -7.566
36 HG12 VAL 6 2HG1 VAL 6 -4.933 8.347 -6.341
37 HG13 VAL 6 3HG1 VAL 6 -3.647 9.554 -6.291
38 HG21 VAL 6 3HG2 VAL 6 -2.023 5.734 -5.836
39 HG22 VAL 6 1HG2 VAL 6 -3.147 6.079 -7.151
40 HG23 VAL 6 2HG2 VAL 6 -1.598 6.919 -7.071
41 H GLY 7 HN GLY 7 -3.530 7.941 -2.948
42 HA2 GLY 7 1HA GLY 7 -4.527 10.627 -2.650
43 HA3 GLY 7 2HA GLY 7 -4.944 9.241 -1.654
44 H ALA 8 HN ALA 8 -2.077 8.672 -1.123
45 HA ALA 8 HA ALA 8 -1.831 10.220 1.249
46 HB1 ALA 8 1HB ALA 8 0.176 8.978 1.663
47 HB2 ALA 8 2HB ALA 8 -1.032 7.877 0.999
48 HB3 ALA 8 3HB ALA 8 0.271 8.478 -0.026
49 H CYS 9 HN CYS 9 -0.992 10.836 -1.959
50 HA CYS 9 HA CYS 9 1.413 12.181 -1.851
51 HB2 CYS 9 1HB CYS 9 -0.967 12.260 -3.587
52 HB3 CYS 9 2HB CYS 9 0.016 13.720 -3.617
53 H GLY 10 HN GLY 10 -1.656 13.977 -1.993
54 HA2 GLY 10 1HA GLY 10 -1.089 15.496 0.368
55 HA3 GLY 10 2HA GLY 10 -0.730 16.399 -1.096
56 H THR 11 HN THR 11 -2.946 16.211 1.173
57 HA THR 11 HA THR 11 -5.403 15.823 -0.120
58 HB THR 11 HB THR 11 -4.932 17.732 2.172
59 HG1 THR 11 HG1 THR 11 -4.642 16.046 3.434
60 HG21 THR 11 3HG2 THR 11 -7.161 17.885 1.307
61 HG22 THR 11 1HG2 THR 11 -7.229 16.961 2.807
62 HG23 THR 11 2HG2 THR 11 -7.318 16.129 1.255
63 H VAL 12 HN VAL 12 -3.134 18.351 -0.386
64 HA VAL 12 HA VAL 12 -4.912 20.475 -1.052
65 HB VAL 12 HB VAL 12 -2.009 20.174 -1.830
66 HG11 VAL 12 1HG1 VAL 12 -2.340 22.077 -2.931
67 HG12 VAL 12 2HG1 VAL 12 -3.993 22.203 -2.327
68 HG13 VAL 12 3HG1 VAL 12 -2.655 22.853 -1.379
69 HG21 VAL 12 3HG2 VAL 12 -3.327 21.050 0.703
70 HG22 VAL 12 1HG2 VAL 12 -1.899 20.042 0.469
71 HG23 VAL 12 2HG2 VAL 12 -1.800 21.784 0.214
72 H CYS 13 HN CYS 13 -3.825 17.717 -2.730
73 HA CYS 13 HA CYS 13 -3.708 18.564 -5.371
74 HB2 CYS 13 1HB CYS 13 -4.268 15.999 -3.997
75 HB3 CYS 13 2HB CYS 13 -4.795 16.111 -5.673
76 H LEU 14 HN LEU 14 -6.541 17.108 -3.757
77 HA LEU 14 HA LEU 14 -8.335 17.758 -5.844
78 HB2 LEU 14 1HB LEU 14 -8.596 16.808 -3.034
79 HB3 LEU 14 2HB LEU 14 -10.030 17.423 -3.854
80 HG LEU 14 HG LEU 14 -9.849 14.969 -3.948
81 HD11 LEU 14 1HD1 LEU 14 -10.263 16.765 -6.127
82 HD12 LEU 14 2HD1 LEU 14 -11.036 15.214 -5.802
83 HD13 LEU 14 3HD1 LEU 14 -9.538 15.275 -6.732
84 HD21 LEU 14 3HD2 LEU 14 -7.396 14.827 -3.980
85 HD22 LEU 14 1HD2 LEU 14 -7.390 15.483 -5.617
86 HD23 LEU 14 2HD2 LEU 14 -8.132 13.915 -5.299
87 H ALA 15 HN ALA 15 -7.642 19.291 -2.720
88 HA ALA 15 HA ALA 15 -9.570 21.300 -2.806
89 HB1 ALA 15 1HB ALA 15 -7.529 20.585 -1.093
90 HB2 ALA 15 2HB ALA 15 -7.068 22.199 -1.637
91 HB3 ALA 15 3HB ALA 15 -8.641 21.938 -0.883
92 H SER 16 HN SER 16 -6.602 20.964 -4.554
93 HA SER 16 HA SER 16 -6.635 23.757 -5.405
94 HB2 SER 16 1HB SER 16 -4.494 22.526 -4.772
95 HB3 SER 16 2HB SER 16 -4.681 21.627 -6.278
96 HG SER 16 HG SER 16 -4.261 24.400 -5.923
97 H GLY 17 HN GLY 17 -7.704 20.684 -6.438
98 HA2 GLY 17 1HA GLY 17 -9.312 20.617 -8.254
99 HA3 GLY 17 2HA GLY 17 -8.339 21.821 -9.086
100 H GLY 18 HN GLY 18 -5.799 20.573 -8.568
101 HA2 GLY 18 1HA GLY 18 -5.353 17.993 -9.108
102 HA3 GLY 18 2HA GLY 18 -5.919 18.566 -10.670
103 H VAL 19 HN VAL 19 -4.625 21.251 -9.899
104 HA VAL 19 HA VAL 19 -2.249 20.905 -11.361
105 HB VAL 19 HB VAL 19 -1.660 23.204 -10.495
106 HG11 VAL 19 1HG1 VAL 19 -4.430 22.947 -11.656
107 HG12 VAL 19 2HG1 VAL 19 -3.325 24.313 -11.823
108 HG13 VAL 19 3HG1 VAL 19 -2.940 22.768 -12.581
109 HG21 VAL 19 3HG2 VAL 19 -3.323 22.605 -8.436
110 HG22 VAL 19 1HG2 VAL 19 -2.843 24.241 -8.888
111 HG23 VAL 19 2HG2 VAL 19 -4.380 23.585 -9.453
112 H GLY 20 HN GLY 20 -2.959 20.581 -7.985
113 HA2 GLY 20 1HA GLY 20 -0.111 20.578 -7.287
114 HA3 GLY 20 2HA GLY 20 -1.452 20.579 -6.151
115 H THR 21 HN THR 21 -2.658 18.398 -7.978
116 HB THR 21 HB THR 21 -2.859 16.212 -9.351
117 HG1 THR 21 HG1 THR 21 -4.998 15.850 -8.392
118 HG21 THR 21 3HG2 THR 21 -2.620 13.994 -9.260
119 HG22 THR 21 1HG2 THR 21 -3.962 13.969 -8.117
120 HG23 THR 21 2HG2 THR 21 -2.302 14.039 -7.526
121 H GLU 22 HN GLU 22 -0.709 16.801 -9.629
122 HA GLU 22 HA GLU 22 1.112 14.668 -9.528
123 HB2 GLU 22 1HB GLU 22 2.250 15.775 -11.388
124 HB3 GLU 22 2HB GLU 22 0.506 15.796 -11.615
125 HG2 GLU 22 1HG GLU 22 0.625 18.141 -10.549
126 HG3 GLU 22 2HG GLU 22 2.344 18.050 -10.928
127 H PHE 23 HN PHE 23 1.184 17.818 -8.115
128 HA PHE 23 HA PHE 23 4.010 17.968 -7.728
129 HB2 PHE 23 1HB PHE 23 2.169 19.850 -7.667
130 HB3 PHE 23 2HB PHE 23 2.080 19.421 -5.962
131 HD1 PHE 23 HD1 PHE 23 4.151 20.886 -8.592
132 HD2 PHE 23 HD2 PHE 23 3.912 19.886 -4.462
133 HE1 PHE 23 HE1 PHE 23 6.101 22.316 -8.136
134 HE2 PHE 23 HE2 PHE 23 5.860 21.314 -4.000
135 HZ PHE 23 HZ PHE 23 6.957 22.532 -5.838
136 H ALA 24 HN ALA 24 1.359 17.519 -5.380
137 HA ALA 24 HA ALA 24 3.025 16.730 -3.255
138 HB1 ALA 24 1HB ALA 24 0.129 15.981 -3.615
139 HB2 ALA 24 2HB ALA 24 1.027 16.113 -2.102
140 HB3 ALA 24 3HB ALA 24 0.677 17.559 -3.049
141 H ALA 25 HN ALA 25 1.706 14.983 -5.944
142 HB1 ALA 25 1HB ALA 25 1.849 11.656 -7.273
143 HB2 ALA 25 2HB ALA 25 0.721 12.998 -7.078
144 HB3 ALA 25 3HB ALA 25 2.314 13.280 -7.780
145 H ALA 26 HN ALA 26 4.326 14.529 -5.757
146 HA ALA 26 HA ALA 26 6.370 12.757 -6.468
147 HB1 ALA 26 1HB ALA 26 6.681 15.317 -4.908
148 HB2 ALA 26 2HB ALA 26 7.906 14.515 -5.892
149 HB3 ALA 26 3HB ALA 26 6.486 15.227 -6.658
150 H SER 27 HN SER 27 4.997 13.556 -3.361
151 HA SER 27 HA SER 27 6.992 12.749 -1.627
152 HB2 SER 27 1HB SER 27 5.125 12.180 -0.046
153 HB3 SER 27 2HB SER 27 4.985 13.779 -0.778
154 HG SER 27 HG SER 27 3.639 12.546 -2.408
155 H DTY 28 HN DTY 28 4.210 10.684 -2.468
156 HB2 DTY 28 1HB DTY 28 6.406 8.388 -0.899
157 HB3 DTY 28 2HB DTY 28 5.415 6.991 -1.306
158 HD1 DTY 28 HD1 DTY 28 3.341 6.598 -0.216
159 HD2 DTY 28 HD2 DTY 28 5.414 10.258 0.422
160 HE1 DTY 28 HE1 DTY 28 1.824 7.125 1.647
161 HE2 DTY 28 HE2 DTY 28 3.902 10.796 2.286
162 HH DTY 28 HH DTY 28 2.320 9.973 3.670
163 H PHE 29 HN PHE 29 5.872 10.078 -4.458
164 HA PHE 29 HA PHE 29 6.877 7.888 -6.015
165 HB2 PHE 29 1HB PHE 29 5.905 10.171 -6.821
166 HB3 PHE 29 2HB PHE 29 7.543 10.762 -6.566
167 HD1 PHE 29 HD2 PHE 29 6.032 7.685 -8.050
168 HD2 PHE 29 HD1 PHE 29 8.739 10.938 -8.505
169 HE1 PHE 29 HE2 PHE 29 6.679 6.832 -10.265
170 HE2 PHE 29 HE1 PHE 29 9.389 10.091 -10.722
171 HZ PHE 29 HZ PHE 29 8.360 8.035 -11.604
172 H LEU 30 HN LEU 30 8.173 10.085 -3.684
173 HA LEU 30 HA LEU 30 10.227 10.301 -2.733
174 HB2 LEU 30 1HB LEU 30 9.870 7.712 -2.837
175 HB3 LEU 30 2HB LEU 30 11.139 7.786 -4.058
176 HG LEU 30 HG LEU 30 11.639 9.070 -1.419
177 HD11 LEU 30 1HD1 LEU 30 10.621 6.654 -1.228
178 HD12 LEU 30 2HD1 LEU 30 12.011 7.137 -0.258
179 HD13 LEU 30 3HD1 LEU 30 12.246 6.173 -1.716
180 HD21 LEU 30 3HD2 LEU 30 13.435 9.381 -2.814
181 HD22 LEU 30 1HD2 LEU 30 13.203 7.839 -3.637
182 HD23 LEU 30 2HD2 LEU 30 13.896 7.877 -2.015
Start of MODEL 11
1 H1 GLY 1 HN GLY 1 0.375 -0.236 0.644
2 HA2 GLY 1 1HA GLY 1 0.829 -1.147 -2.031
3 HA3 GLY 1 2HA GLY 1 -0.617 -0.346 -1.435
4 H TRP 2 HN TRP 2 0.712 0.078 -3.960
5 HA TRP 2 HA TRP 2 2.181 2.527 -3.837
6 HB2 TRP 2 1HB TRP 2 1.126 0.761 -5.982
7 HB3 TRP 2 2HB TRP 2 1.436 2.441 -6.410
8 HD1 TRP 2 HD1 TRP 2 3.416 -0.358 -4.563
9 HE1 TRP 2 HE1 TRP 2 5.859 -0.247 -5.365
10 HE3 TRP 2 HE3 TRP 2 3.043 3.620 -7.752
11 HZ2 TRP 2 HZ2 TRP 2 7.422 1.321 -7.117
12 HZ3 TRP 2 HZ3 TRP 2 5.058 4.363 -8.952
13 HH2 TRP 2 HH2 TRP 2 7.202 3.236 -8.639
14 H VAL 3 HN VAL 3 -1.174 1.668 -4.083
15 HA VAL 3 HA VAL 3 -2.187 4.064 -5.158
16 HB VAL 3 HB VAL 3 -4.344 3.400 -4.197
17 HG11 VAL 3 1HG1 VAL 3 -4.649 1.816 -5.758
18 HG12 VAL 3 2HG1 VAL 3 -2.958 2.126 -6.157
19 HG13 VAL 3 3HG1 VAL 3 -3.383 0.780 -5.098
20 HG21 VAL 3 3HG2 VAL 3 -4.485 1.289 -2.896
21 HG22 VAL 3 1HG2 VAL 3 -2.724 1.280 -2.793
22 HG23 VAL 3 2HG2 VAL 3 -3.645 2.584 -2.043
23 H ALA 4 HN ALA 4 -1.044 3.238 -1.998
24 HA ALA 4 HA ALA 4 -2.364 5.346 -0.589
25 HB1 ALA 4 1HB ALA 4 -1.088 4.702 1.289
26 HB2 ALA 4 2HB ALA 4 -1.453 3.212 0.418
27 HB3 ALA 4 3HB ALA 4 0.147 3.942 0.284
28 H CYS 5 HN CYS 5 0.530 5.087 -2.472
29 HA CYS 5 HA CYS 5 1.954 7.283 -1.420
30 HB2 CYS 5 1HB CYS 5 2.244 5.429 -3.576
31 HB3 CYS 5 2HB CYS 5 2.500 7.055 -4.201
32 H VAL 6 HN VAL 6 0.270 7.150 -4.561
33 HA VAL 6 HA VAL 6 0.200 9.934 -4.923
34 HB VAL 6 HB VAL 6 -0.108 8.255 -6.740
35 HG11 VAL 6 1HG1 VAL 6 -2.002 7.158 -5.140
36 HG12 VAL 6 2HG1 VAL 6 -3.002 8.066 -6.276
37 HG13 VAL 6 3HG1 VAL 6 -1.864 6.857 -6.872
38 HG21 VAL 6 3HG2 VAL 6 -1.700 9.574 -8.011
39 HG22 VAL 6 1HG2 VAL 6 -2.324 10.291 -6.525
40 HG23 VAL 6 2HG2 VAL 6 -0.674 10.633 -7.043
41 H GLY 7 HN GLY 7 -1.858 7.781 -3.143
42 HA2 GLY 7 1HA GLY 7 -4.253 9.150 -3.032
43 HA3 GLY 7 2HA GLY 7 -3.596 8.208 -1.702
44 H ALA 8 HN ALA 8 -1.261 9.850 -1.314
45 HA ALA 8 HA ALA 8 -2.359 11.772 0.459
46 HB1 ALA 8 1HB ALA 8 0.308 10.803 -0.260
47 HB2 ALA 8 2HB ALA 8 0.259 12.495 0.237
48 HB3 ALA 8 3HB ALA 8 -0.357 11.242 1.314
49 H CYS 9 HN CYS 9 -0.521 12.112 -2.575
50 HA CYS 9 HA CYS 9 -0.499 14.873 -2.751
51 HB2 CYS 9 1HB CYS 9 -0.750 12.895 -5.026
52 HB3 CYS 9 2HB CYS 9 -0.225 14.568 -5.176
53 H GLY 10 HN GLY 10 -2.937 12.618 -4.039
54 HA2 GLY 10 1HA GLY 10 -4.631 14.464 -5.233
55 HA3 GLY 10 2HA GLY 10 -5.153 12.931 -4.550
56 H THR 11 HN THR 11 -4.471 13.466 -1.848
57 HA THR 11 HA THR 11 -6.811 14.656 -0.925
58 HB THR 11 HB THR 11 -4.320 14.687 0.749
59 HG1 THR 11 HG1 THR 11 -4.537 12.474 1.065
60 HG21 THR 11 3HG2 THR 11 -5.848 15.148 2.307
61 HG22 THR 11 1HG2 THR 11 -6.481 13.517 2.084
62 HG23 THR 11 2HG2 THR 11 -7.169 14.862 1.175
63 H VAL 12 HN VAL 12 -3.560 16.034 -1.268
64 HA VAL 12 HA VAL 12 -4.311 18.596 -0.236
65 HB VAL 12 HB VAL 12 -1.888 17.865 -1.886
66 HG11 VAL 12 1HG1 VAL 12 -2.420 20.220 -0.078
67 HG12 VAL 12 2HG1 VAL 12 -0.891 19.867 -0.885
68 HG13 VAL 12 3HG1 VAL 12 -2.323 20.261 -1.838
69 HG21 VAL 12 3HG2 VAL 12 -1.017 18.144 0.678
70 HG22 VAL 12 1HG2 VAL 12 -2.591 17.385 0.919
71 HG23 VAL 12 2HG2 VAL 12 -1.380 16.603 -0.098
72 H CYS 13 HN CYS 13 -3.738 17.279 -3.481
73 HA CYS 13 HA CYS 13 -4.049 19.613 -4.956
74 HB2 CYS 13 1HB CYS 13 -4.377 16.709 -5.518
75 HB3 CYS 13 2HB CYS 13 -5.061 17.838 -6.683
76 H LEU 14 HN LEU 14 -6.486 17.375 -3.724
77 HA LEU 14 HA LEU 14 -8.704 18.535 -5.029
78 HB2 LEU 14 1HB LEU 14 -8.306 16.704 -2.724
79 HB3 LEU 14 2HB LEU 14 -9.882 17.471 -2.907
80 HG LEU 14 HG LEU 14 -8.548 15.766 -5.008
81 HD11 LEU 14 1HD1 LEU 14 -10.672 15.107 -2.978
82 HD12 LEU 14 2HD1 LEU 14 -9.082 14.364 -3.150
83 HD13 LEU 14 3HD1 LEU 14 -10.310 14.115 -4.391
84 HD21 LEU 14 3HD2 LEU 14 -10.922 15.747 -5.900
85 HD22 LEU 14 1HD2 LEU 14 -10.029 17.258 -6.076
86 HD23 LEU 14 2HD2 LEU 14 -11.240 17.092 -4.804
87 H ALA 15 HN ALA 15 -7.190 19.135 -1.896
88 HA ALA 15 HA ALA 15 -9.083 20.840 -0.784
89 HB1 ALA 15 1HB ALA 15 -7.213 21.761 0.546
90 HB2 ALA 15 2HB ALA 15 -7.235 19.998 0.514
91 HB3 ALA 15 3HB ALA 15 -6.084 20.884 -0.485
92 H SER 16 HN SER 16 -6.800 21.394 -3.338
93 HA SER 16 HA SER 16 -7.330 24.278 -3.285
94 HB2 SER 16 1HB SER 16 -5.055 24.106 -3.568
95 HB3 SER 16 2HB SER 16 -5.170 22.569 -4.426
96 HG SER 16 HG SER 16 -4.865 24.957 -5.471
97 H GLY 17 HN GLY 17 -8.217 21.408 -4.908
98 HA2 GLY 17 1HA GLY 17 -10.246 21.582 -6.282
99 HA3 GLY 17 2HA GLY 17 -9.536 23.018 -7.006
100 H GLY 18 HN GLY 18 -6.865 21.808 -7.182
101 HA2 GLY 18 1HA GLY 18 -6.091 19.699 -8.315
102 HA3 GLY 18 2HA GLY 18 -7.413 19.980 -9.438
103 H VAL 19 HN VAL 19 -5.371 22.513 -8.120
104 HA VAL 19 HA VAL 19 -4.810 23.596 -10.668
105 HB VAL 19 HB VAL 19 -3.405 24.103 -8.041
106 HG11 VAL 19 1HG1 VAL 19 -3.077 25.219 -10.750
107 HG12 VAL 19 2HG1 VAL 19 -3.142 26.393 -9.434
108 HG13 VAL 19 3HG1 VAL 19 -1.928 25.114 -9.416
109 HG21 VAL 19 3HG2 VAL 19 -6.022 24.616 -8.667
110 HG22 VAL 19 1HG2 VAL 19 -5.072 25.477 -7.456
111 HG23 VAL 19 2HG2 VAL 19 -5.228 26.133 -9.085
112 H GLY 20 HN GLY 20 -2.781 21.772 -8.378
113 HA2 GLY 20 1HA GLY 20 -1.115 20.948 -10.658
114 HA3 GLY 20 2HA GLY 20 -0.344 21.641 -9.240
115 H THR 21 HN THR 21 -2.900 19.215 -9.788
116 HB THR 21 HB THR 21 -3.301 16.720 -10.313
117 HG1 THR 21 HG1 THR 21 -5.067 17.741 -9.773
118 HG21 THR 21 3HG2 THR 21 -4.389 14.862 -8.997
119 HG22 THR 21 1HG2 THR 21 -3.410 15.367 -7.620
120 HG23 THR 21 2HG2 THR 21 -2.630 14.788 -9.092
121 H GLU 22 HN GLU 22 -0.970 17.268 -10.781
122 HA GLU 22 HA GLU 22 0.621 15.046 -10.134
123 HB2 GLU 22 1HB GLU 22 1.873 15.554 -12.149
124 HB3 GLU 22 2HB GLU 22 0.155 15.779 -12.444
125 HG2 GLU 22 1HG GLU 22 0.593 18.251 -11.924
126 HG3 GLU 22 2HG GLU 22 2.295 17.849 -12.146
127 H PHE 23 HN PHE 23 1.063 18.463 -9.611
128 HA PHE 23 HA PHE 23 3.858 18.334 -9.038
129 HB2 PHE 23 1HB PHE 23 1.724 20.382 -8.893
130 HB3 PHE 23 2HB PHE 23 3.082 20.604 -7.795
131 HD1 PHE 23 HD1 PHE 23 2.244 20.066 -11.370
132 HD2 PHE 23 HD2 PHE 23 5.065 21.553 -8.551
133 HE1 PHE 23 HE1 PHE 23 3.558 21.045 -13.206
134 HE2 PHE 23 HE2 PHE 23 6.382 22.535 -10.382
135 HZ PHE 23 HZ PHE 23 5.629 22.282 -12.713
136 H ALA 24 HN ALA 24 0.912 18.326 -7.081
137 HA ALA 24 HA ALA 24 2.138 18.441 -4.556
138 HB1 ALA 24 1HB ALA 24 -0.335 18.721 -5.173
139 HB2 ALA 24 2HB ALA 24 -0.421 16.962 -5.064
140 HB3 ALA 24 3HB ALA 24 0.052 17.911 -3.655
141 H ALA 25 HN ALA 25 1.485 15.761 -6.727
142 HB1 ALA 25 1HB ALA 25 2.088 12.215 -6.785
143 HB2 ALA 25 2HB ALA 25 0.735 13.339 -6.924
144 HB3 ALA 25 3HB ALA 25 2.198 13.599 -7.874
145 H ALA 26 HN ALA 26 3.989 14.390 -3.857
146 HA ALA 26 HA ALA 26 6.392 14.901 -5.224
147 HB1 ALA 26 1HB ALA 26 7.358 14.093 -2.905
148 HB2 ALA 26 2HB ALA 26 6.505 15.629 -3.063
149 HB3 ALA 26 3HB ALA 26 5.665 14.216 -2.424
150 H SER 27 HN SER 27 5.978 12.078 -3.116
151 HA SER 27 HA SER 27 6.309 10.067 -5.004
152 HB2 SER 27 1HB SER 27 8.767 11.491 -4.393
153 HB3 SER 27 2HB SER 27 8.892 9.780 -3.986
154 HG SER 27 HG SER 27 8.083 9.372 -6.150
155 H DTY 28 HN DTY 28 5.120 8.716 -3.798
156 HB2 DTY 28 1HB DTY 28 4.914 9.741 -0.896
157 HB3 DTY 28 2HB DTY 28 5.916 8.654 0.059
158 HD1 DTY 28 HD1 DTY 28 4.628 6.302 0.554
159 HD2 DTY 28 HD2 DTY 28 2.784 10.080 -0.102
160 HE1 DTY 28 HE1 DTY 28 2.637 5.536 1.778
161 HE2 DTY 28 HE2 DTY 28 0.787 9.324 1.119
162 HH DTY 28 HH DTY 28 -0.031 6.361 1.652
163 H PHE 29 HN PHE 29 7.252 7.245 -3.436
164 HA PHE 29 HA PHE 29 8.236 5.010 -1.909
165 HB2 PHE 29 1HB PHE 29 8.184 5.323 -4.501
166 HB3 PHE 29 2HB PHE 29 9.690 6.199 -4.248
167 HD1 PHE 29 HD1 PHE 29 11.620 5.017 -3.178
168 HD2 PHE 29 HD2 PHE 29 8.120 2.977 -4.482
169 HE1 PHE 29 HE1 PHE 29 12.855 2.889 -3.152
170 HE2 PHE 29 HE2 PHE 29 9.349 0.845 -4.457
171 HZ PHE 29 HZ PHE 29 11.720 0.800 -3.790
172 H LEU 30 HN LEU 30 9.697 8.064 -3.036
173 HA LEU 30 HA LEU 30 11.861 7.770 -1.125
174 HB2 LEU 30 1HB LEU 30 11.241 9.797 -3.256
175 HB3 LEU 30 2HB LEU 30 12.585 9.985 -2.132
176 HG LEU 30 HG LEU 30 12.480 7.442 -3.637
177 HD11 LEU 30 1HD1 LEU 30 13.197 10.052 -4.963
178 HD12 LEU 30 2HD1 LEU 30 11.818 9.030 -5.364
179 HD13 LEU 30 3HD1 LEU 30 13.458 8.443 -5.636
180 HD21 LEU 30 3HD2 LEU 30 14.391 9.127 -2.256
181 HD22 LEU 30 1HD2 LEU 30 14.970 8.634 -3.848
182 HD23 LEU 30 2HD2 LEU 30 14.485 7.414 -2.669
Start of MODEL 12
1 H1 GLY 1 HN GLY 1 5.266 2.042 1.496
2 HA2 GLY 1 1HA GLY 1 3.029 0.913 1.244
3 HA3 GLY 1 2HA GLY 1 2.369 2.365 1.982
4 H TRP 2 HN TRP 2 3.472 0.888 -0.913
5 HA TRP 2 HA TRP 2 3.853 3.165 -2.521
6 HB2 TRP 2 1HB TRP 2 4.356 0.632 -2.973
7 HB3 TRP 2 2HB TRP 2 2.729 0.624 -3.646
8 HD1 TRP 2 HD1 TRP 2 6.061 2.550 -4.138
9 HE1 TRP 2 HE1 TRP 2 6.237 3.201 -6.622
10 HE3 TRP 2 HE3 TRP 2 1.527 0.826 -5.754
11 HZ2 TRP 2 HZ2 TRP 2 4.662 3.010 -8.957
12 HZ3 TRP 2 HZ3 TRP 2 0.938 1.100 -8.127
13 HH2 TRP 2 HH2 TRP 2 2.475 2.171 -9.694
14 H VAL 3 HN VAL 3 1.015 1.003 -2.351
15 HA VAL 3 HA VAL 3 -0.665 2.606 -3.925
16 HB VAL 3 HB VAL 3 -1.095 0.216 -3.358
17 HG11 VAL 3 1HG1 VAL 3 -0.587 0.284 -0.986
18 HG12 VAL 3 2HG1 VAL 3 -1.955 1.361 -0.703
19 HG13 VAL 3 3HG1 VAL 3 -2.233 -0.296 -1.240
20 HG21 VAL 3 3HG2 VAL 3 -3.399 0.401 -3.574
21 HG22 VAL 3 1HG2 VAL 3 -3.481 1.824 -2.535
22 HG23 VAL 3 2HG2 VAL 3 -2.830 1.961 -4.168
23 H ALA 4 HN ALA 4 0.262 2.830 -0.599
24 HA ALA 4 HA ALA 4 -1.928 4.517 0.199
25 HB1 ALA 4 1HB ALA 4 -0.037 3.012 1.540
26 HB2 ALA 4 2HB ALA 4 0.429 4.678 1.883
27 HB3 ALA 4 3HB ALA 4 -1.200 4.121 2.267
28 H CYS 5 HN CYS 5 1.431 4.976 -0.790
29 HA CYS 5 HA CYS 5 1.545 7.753 -0.239
30 HB2 CYS 5 1HB CYS 5 3.396 5.890 -0.893
31 HB3 CYS 5 2HB CYS 5 3.214 6.702 -2.445
32 H VAL 6 HN VAL 6 0.841 5.907 -3.184
33 HA VAL 6 HA VAL 6 0.614 8.054 -4.957
34 HB VAL 6 HB VAL 6 0.689 5.722 -5.707
35 HG11 VAL 6 1HG1 VAL 6 -2.045 5.577 -4.455
36 HG12 VAL 6 2HG1 VAL 6 -1.448 4.396 -5.622
37 HG13 VAL 6 3HG1 VAL 6 -0.625 4.602 -4.075
38 HG21 VAL 6 3HG2 VAL 6 -1.920 6.480 -6.801
39 HG22 VAL 6 1HG2 VAL 6 -0.716 7.767 -6.833
40 HG23 VAL 6 2HG2 VAL 6 -0.378 6.224 -7.617
41 H GLY 7 HN GLY 7 -1.546 6.901 -2.498
42 HA2 GLY 7 1HA GLY 7 -3.986 7.909 -3.410
43 HA3 GLY 7 2HA GLY 7 -3.549 7.705 -1.720
44 H ALA 8 HN ALA 8 -1.205 9.592 -2.282
45 HA ALA 8 HA ALA 8 -2.459 11.946 -1.339
46 HB1 ALA 8 1HB ALA 8 0.229 12.123 -2.580
47 HB2 ALA 8 2HB ALA 8 -0.359 12.773 -1.049
48 HB3 ALA 8 3HB ALA 8 0.038 11.060 -1.185
49 H CYS 9 HN CYS 9 -2.142 10.670 -4.453
50 HA CYS 9 HA CYS 9 -2.151 13.226 -5.823
51 HB2 CYS 9 1HB CYS 9 -1.026 11.072 -6.661
52 HB3 CYS 9 2HB CYS 9 -2.648 10.540 -7.092
53 H GLY 10 HN GLY 10 -4.407 11.756 -4.087
54 HA2 GLY 10 1HA GLY 10 -6.602 12.218 -5.994
55 HA3 GLY 10 2HA GLY 10 -6.717 11.262 -4.524
56 H THR 11 HN THR 11 -7.903 12.189 -3.009
57 HA THR 11 HA THR 11 -8.835 14.814 -3.085
58 HB THR 11 HB THR 11 -9.871 12.952 -1.774
59 HG1 THR 11 HG1 THR 11 -10.035 15.418 -1.362
60 HG21 THR 11 3HG2 THR 11 -8.157 13.578 0.556
61 HG22 THR 11 1HG2 THR 11 -7.450 12.550 -0.689
62 HG23 THR 11 2HG2 THR 11 -8.949 12.069 0.106
63 H VAL 12 HN VAL 12 -5.891 13.504 -1.798
64 HA VAL 12 HA VAL 12 -5.252 15.685 -0.075
65 HB VAL 12 HB VAL 12 -3.311 13.753 -1.344
66 HG11 VAL 12 1HG1 VAL 12 -2.294 14.226 1.061
67 HG12 VAL 12 2HG1 VAL 12 -1.956 15.272 -0.320
68 HG13 VAL 12 3HG1 VAL 12 -3.182 15.736 0.860
69 HG21 VAL 12 3HG2 VAL 12 -4.967 12.397 -0.321
70 HG22 VAL 12 1HG2 VAL 12 -3.611 12.467 0.805
71 HG23 VAL 12 2HG2 VAL 12 -5.049 13.446 1.095
72 H CYS 13 HN CYS 13 -4.478 14.864 -3.422
73 HA CYS 13 HA CYS 13 -2.571 16.825 -3.938
74 HB2 CYS 13 1HB CYS 13 -2.967 15.071 -5.537
75 HB3 CYS 13 2HB CYS 13 -4.638 15.579 -5.757
76 H LEU 14 HN LEU 14 -6.097 16.975 -4.409
77 HA LEU 14 HA LEU 14 -6.161 19.648 -5.294
78 HB2 LEU 14 1HB LEU 14 -7.966 17.743 -5.310
79 HB3 LEU 14 2HB LEU 14 -8.438 18.467 -3.773
80 HG LEU 14 HG LEU 14 -8.224 20.140 -6.251
81 HD11 LEU 14 1HD1 LEU 14 -9.665 18.380 -6.950
82 HD12 LEU 14 2HD1 LEU 14 -10.682 19.758 -6.530
83 HD13 LEU 14 3HD1 LEU 14 -10.533 18.399 -5.415
84 HD21 LEU 14 3HD2 LEU 14 -10.327 21.001 -4.723
85 HD22 LEU 14 1HD2 LEU 14 -8.693 21.663 -4.684
86 HD23 LEU 14 2HD2 LEU 14 -9.177 20.440 -3.508
87 H ALA 15 HN ALA 15 -6.701 18.232 -2.079
88 HA ALA 15 HA ALA 15 -7.290 20.579 -0.700
89 HB1 ALA 15 1HB ALA 15 -5.709 18.384 0.578
90 HB2 ALA 15 2HB ALA 15 -7.007 19.368 1.256
91 HB3 ALA 15 3HB ALA 15 -7.378 18.114 0.074
92 H SER 16 HN SER 16 -4.278 19.397 -1.918
93 HA SER 16 HA SER 16 -2.760 21.338 -0.335
94 HB2 SER 16 1HB SER 16 -1.974 18.944 -0.572
95 HB3 SER 16 2HB SER 16 -1.665 19.291 -2.273
96 HG SER 16 HG SER 16 -0.001 20.520 -1.740
97 H GLY 17 HN GLY 17 -4.604 21.937 -2.654
98 HA2 GLY 17 1HA GLY 17 -4.406 23.918 -3.973
99 HA3 GLY 17 2HA GLY 17 -2.680 23.615 -4.111
100 H GLY 18 HN GLY 18 -5.306 23.796 -5.919
101 HA2 GLY 18 1HA GLY 18 -5.569 21.465 -7.384
102 HA3 GLY 18 2HA GLY 18 -5.803 23.077 -8.043
103 H VAL 19 HN VAL 19 -3.164 24.033 -7.770
104 HA VAL 19 HA VAL 19 -2.015 23.083 -10.154
105 HB VAL 19 HB VAL 19 0.023 24.378 -9.409
106 HG11 VAL 19 1HG1 VAL 19 -1.143 25.805 -10.683
107 HG12 VAL 19 2HG1 VAL 19 -2.677 25.382 -9.919
108 HG13 VAL 19 3HG1 VAL 19 -1.605 26.557 -9.157
109 HG21 VAL 19 3HG2 VAL 19 -0.997 24.033 -6.897
110 HG22 VAL 19 1HG2 VAL 19 0.234 25.216 -7.341
111 HG23 VAL 19 2HG2 VAL 19 -1.462 25.695 -7.259
112 H GLY 20 HN GLY 20 -1.725 22.031 -6.872
113 HA2 GLY 20 1HA GLY 20 0.767 20.637 -7.225
114 HA3 GLY 20 2HA GLY 20 -0.314 20.511 -5.845
115 H THR 21 HN THR 21 -2.367 20.006 -8.235
116 HB THR 21 HB THR 21 -3.359 18.873 -10.337
117 HG1 THR 21 HG1 THR 21 -5.494 18.965 -9.334
118 HG21 THR 21 3HG2 THR 21 -3.788 16.088 -9.639
119 HG22 THR 21 1HG2 THR 21 -3.969 16.899 -11.194
120 HG23 THR 21 2HG2 THR 21 -5.297 16.912 -10.032
121 H GLU 22 HN GLU 22 -1.207 18.649 -10.702
122 HA GLU 22 HA GLU 22 -0.358 16.193 -11.724
123 HB2 GLU 22 1HB GLU 22 1.214 17.489 -13.087
124 HB3 GLU 22 2HB GLU 22 -0.376 18.240 -13.057
125 HG2 GLU 22 1HG GLU 22 0.545 19.705 -11.183
126 HG3 GLU 22 2HG GLU 22 2.133 19.120 -11.676
127 H PHE 23 HN PHE 23 0.908 18.130 -9.159
128 HA PHE 23 HA PHE 23 3.539 17.017 -9.145
129 HB2 PHE 23 1HB PHE 23 2.641 19.232 -8.072
130 HB3 PHE 23 2HB PHE 23 2.260 18.193 -6.703
131 HD1 PHE 23 HD2 PHE 23 4.959 19.593 -8.756
132 HD2 PHE 23 HD1 PHE 23 3.982 17.289 -5.313
133 HE1 PHE 23 HE2 PHE 23 7.284 19.783 -7.973
134 HE2 PHE 23 HE1 PHE 23 6.305 17.476 -4.524
135 HZ PHE 23 HZ PHE 23 7.960 18.724 -5.855
136 H ALA 24 HN ALA 24 0.835 16.640 -6.846
137 HA ALA 24 HA ALA 24 1.952 14.452 -5.480
138 HB1 ALA 24 1HB ALA 24 -0.232 14.158 -4.485
139 HB2 ALA 24 2HB ALA 24 0.155 15.877 -4.577
140 HB3 ALA 24 3HB ALA 24 -0.967 15.162 -5.735
141 H ALA 25 HN ALA 25 0.255 14.667 -8.478
142 HB1 ALA 25 1HB ALA 25 -0.835 12.507 -11.087
143 HB2 ALA 25 2HB ALA 25 -0.938 14.122 -10.385
144 HB3 ALA 25 3HB ALA 25 0.607 13.518 -10.984
145 H ALA 26 HN ALA 26 2.477 13.044 -8.817
146 HA ALA 26 HA ALA 26 3.544 10.782 -10.067
147 HB1 ALA 26 1HB ALA 26 5.591 11.323 -8.627
148 HB2 ALA 26 2HB ALA 26 5.020 12.564 -9.743
149 HB3 ALA 26 3HB ALA 26 4.644 12.683 -8.024
150 H SER 27 HN SER 27 3.862 11.339 -6.572
151 HA SER 27 HA SER 27 2.544 9.062 -5.668
152 HB2 SER 27 1HB SER 27 4.718 7.731 -5.095
153 HB3 SER 27 2HB SER 27 4.011 7.575 -6.703
154 HG SER 27 HG SER 27 5.586 8.830 -7.535
155 H DTY 28 HN DTY 28 3.402 8.380 -3.418
156 HB2 DTY 28 1HB DTY 28 2.197 10.823 -1.991
157 HB3 DTY 28 2HB DTY 28 3.615 11.860 -2.095
158 HD1 DTY 28 HD1 DTY 28 1.713 9.685 0.245
159 HD2 DTY 28 HD2 DTY 28 4.472 12.897 -0.176
160 HE1 DTY 28 HE1 DTY 28 1.555 10.129 2.659
161 HE2 DTY 28 HE2 DTY 28 4.321 13.350 2.237
162 HH DTY 28 HH DTY 28 3.126 11.241 4.432
163 H PHE 29 HN PHE 29 5.968 9.016 -3.447
164 HA PHE 29 HA PHE 29 8.109 9.893 -1.727
165 HB2 PHE 29 1HB PHE 29 8.094 7.798 -3.216
166 HB3 PHE 29 2HB PHE 29 8.425 8.896 -4.552
167 HD1 PHE 29 HD1 PHE 29 9.747 7.400 -1.486
168 HD2 PHE 29 HD2 PHE 29 10.562 9.982 -4.771
169 HE1 PHE 29 HE1 PHE 29 12.148 7.313 -0.955
170 HE2 PHE 29 HE2 PHE 29 12.964 9.898 -4.245
171 HZ PHE 29 HZ PHE 29 13.760 8.562 -2.336
172 H LEU 30 HN LEU 30 6.816 10.809 -4.897
173 HA LEU 30 HA LEU 30 8.683 12.999 -5.161
174 HB2 LEU 30 1HB LEU 30 6.498 11.840 -6.819
175 HB3 LEU 30 2HB LEU 30 7.019 13.492 -7.142
176 HG LEU 30 HG LEU 30 8.118 11.936 -8.643
177 HD11 LEU 30 1HD1 LEU 30 10.332 12.640 -6.806
178 HD12 LEU 30 2HD1 LEU 30 9.302 13.953 -7.376
179 HD13 LEU 30 3HD1 LEU 30 10.152 12.933 -8.536
180 HD21 LEU 30 3HD2 LEU 30 8.063 10.155 -6.616
181 HD22 LEU 30 1HD2 LEU 30 9.744 10.680 -6.533
182 HD23 LEU 30 2HD2 LEU 30 9.105 10.005 -8.032
Start of MODEL 13
1 H1 GLY 1 HN GLY 1 0.488 0.033 -3.878
2 HA2 GLY 1 1HA GLY 1 1.485 1.392 -2.237
3 HA3 GLY 1 2HA GLY 1 2.989 1.347 -3.145
4 H TRP 2 HN TRP 2 1.601 2.048 -5.663
5 HA TRP 2 HA TRP 2 2.002 4.798 -5.647
6 HB2 TRP 2 1HB TRP 2 0.405 3.034 -7.503
7 HB3 TRP 2 2HB TRP 2 0.635 4.756 -7.795
8 HD1 TRP 2 HD1 TRP 2 3.592 5.266 -7.381
9 HE1 TRP 2 HE1 TRP 2 5.411 4.108 -8.787
10 HE3 TRP 2 HE3 TRP 2 0.923 1.208 -8.980
11 HZ2 TRP 2 HZ2 TRP 2 5.679 1.784 -10.366
12 HZ3 TRP 2 HZ3 TRP 2 2.035 -0.435 -10.436
13 HH2 TRP 2 HH2 TRP 2 4.363 -0.151 -11.113
14 H VAL 3 HN VAL 3 -1.029 2.970 -5.371
15 HA VAL 3 HA VAL 3 -2.768 5.172 -5.288
16 HB VAL 3 HB VAL 3 -3.109 2.465 -3.989
17 HG11 VAL 3 1HG1 VAL 3 -4.886 4.817 -4.269
18 HG12 VAL 3 2HG1 VAL 3 -5.604 3.227 -4.536
19 HG13 VAL 3 3HG1 VAL 3 -4.815 3.594 -3.002
20 HG21 VAL 3 3HG2 VAL 3 -2.935 3.152 -6.697
21 HG22 VAL 3 1HG2 VAL 3 -3.496 1.628 -6.011
22 HG23 VAL 3 2HG2 VAL 3 -4.651 2.909 -6.375
23 H ALA 4 HN ALA 4 -0.736 3.730 -2.858
24 HA ALA 4 HA ALA 4 -2.030 5.014 -0.633
25 HB1 ALA 4 1HB ALA 4 0.717 4.149 -0.189
26 HB2 ALA 4 2HB ALA 4 -0.772 3.665 0.625
27 HB3 ALA 4 3HB ALA 4 -0.304 2.893 -0.890
28 H CYS 5 HN CYS 5 0.762 5.646 -2.682
29 HA CYS 5 HA CYS 5 1.826 7.779 -1.151
30 HB2 CYS 5 1HB CYS 5 2.290 6.590 -3.798
31 HB3 CYS 5 2HB CYS 5 2.634 8.315 -3.715
32 H VAL 6 HN VAL 6 -0.326 7.693 -3.973
33 HA VAL 6 HA VAL 6 -0.586 10.453 -4.341
34 HB VAL 6 HB VAL 6 -2.714 9.939 -5.493
35 HG11 VAL 6 1HG1 VAL 6 -0.991 9.736 -6.981
36 HG12 VAL 6 2HG1 VAL 6 -0.195 8.461 -6.056
37 HG13 VAL 6 3HG1 VAL 6 -1.621 8.090 -7.026
38 HG21 VAL 6 3HG2 VAL 6 -2.210 7.108 -4.577
39 HG22 VAL 6 1HG2 VAL 6 -3.484 8.168 -3.975
40 HG23 VAL 6 2HG2 VAL 6 -3.497 7.642 -5.658
41 H GLY 7 HN GLY 7 -2.059 8.301 -2.031
42 HA2 GLY 7 1HA GLY 7 -4.142 10.131 -1.258
43 HA3 GLY 7 2HA GLY 7 -3.699 8.643 -0.434
44 H ALA 8 HN ALA 8 -1.228 8.927 0.414
45 HA ALA 8 HA ALA 8 -1.448 10.806 2.537
46 HB1 ALA 8 1HB ALA 8 0.664 9.969 3.288
47 HB2 ALA 8 2HB ALA 8 -0.288 8.607 2.696
48 HB3 ALA 8 3HB ALA 8 1.009 9.275 1.704
49 H CYS 9 HN CYS 9 -0.445 11.129 -0.655
50 HA CYS 9 HA CYS 9 1.728 12.828 -0.590
51 HB2 CYS 9 1HB CYS 9 -0.402 12.199 -2.472
52 HB3 CYS 9 2HB CYS 9 0.122 13.874 -2.606
53 H GLY 10 HN GLY 10 -1.581 14.054 -1.088
54 HA2 GLY 10 1HA GLY 10 -1.521 15.892 1.058
55 HA3 GLY 10 2HA GLY 10 -1.002 16.700 -0.414
56 H THR 11 HN THR 11 -3.539 16.516 1.461
57 HA THR 11 HA THR 11 -5.696 15.724 -0.152
58 HB THR 11 HB THR 11 -5.799 17.897 1.942
59 HG1 THR 11 HG1 THR 11 -6.264 16.085 3.369
60 HG21 THR 11 3HG2 THR 11 -7.937 17.888 1.219
61 HG22 THR 11 1HG2 THR 11 -8.064 16.423 2.191
62 HG23 THR 11 2HG2 THR 11 -7.779 16.307 0.454
63 H VAL 12 HN VAL 12 -3.638 18.419 -0.382
64 HA VAL 12 HA VAL 12 -5.444 20.291 -1.533
65 HB VAL 12 HB VAL 12 -3.153 20.787 -0.522
66 HG11 VAL 12 1HG1 VAL 12 -2.007 20.441 -3.237
67 HG12 VAL 12 2HG1 VAL 12 -1.222 20.376 -1.657
68 HG13 VAL 12 3HG1 VAL 12 -2.174 19.005 -2.228
69 HG21 VAL 12 3HG2 VAL 12 -2.759 22.439 -2.647
70 HG22 VAL 12 1HG2 VAL 12 -4.445 21.972 -2.873
71 HG23 VAL 12 2HG2 VAL 12 -3.932 22.721 -1.361
72 H CYS 13 HN CYS 13 -3.657 17.587 -2.764
73 HA CYS 13 HA CYS 13 -3.444 18.203 -5.458
74 HB2 CYS 13 1HB CYS 13 -2.961 15.979 -3.894
75 HB3 CYS 13 2HB CYS 13 -4.239 15.429 -4.973
76 H LEU 14 HN LEU 14 -6.115 16.482 -3.840
77 HA LEU 14 HA LEU 14 -7.762 16.377 -6.139
78 HB2 LEU 14 1HB LEU 14 -8.117 14.827 -4.353
79 HB3 LEU 14 2HB LEU 14 -8.382 16.135 -3.202
80 HG LEU 14 HG LEU 14 -10.457 16.718 -4.495
81 HD11 LEU 14 1HD1 LEU 14 -11.162 15.546 -6.279
82 HD12 LEU 14 2HD1 LEU 14 -10.559 14.014 -5.647
83 HD13 LEU 14 3HD1 LEU 14 -9.454 15.137 -6.439
84 HD21 LEU 14 3HD2 LEU 14 -10.331 15.302 -2.389
85 HD22 LEU 14 1HD2 LEU 14 -10.519 13.903 -3.446
86 HD23 LEU 14 2HD2 LEU 14 -11.784 15.130 -3.375
87 H ALA 15 HN ALA 15 -7.586 18.611 -3.401
88 HA ALA 15 HA ALA 15 -9.842 20.153 -3.954
89 HB1 ALA 15 1HB ALA 15 -8.040 21.964 -2.930
90 HB2 ALA 15 2HB ALA 15 -9.102 20.913 -1.991
91 HB3 ALA 15 3HB ALA 15 -7.444 20.417 -2.328
92 H SER 16 HN SER 16 -6.801 19.987 -5.573
93 HA SER 16 HA SER 16 -7.242 22.510 -6.974
94 HB2 SER 16 1HB SER 16 -4.960 20.572 -7.381
95 HB3 SER 16 2HB SER 16 -5.019 22.279 -7.820
96 HG SER 16 HG SER 16 -3.882 22.153 -5.933
97 H GLY 17 HN GLY 17 -7.796 19.163 -7.363
98 HA2 GLY 17 1HA GLY 17 -9.186 18.288 -9.067
99 HA3 GLY 17 2HA GLY 17 -8.752 19.651 -10.088
100 H GLY 18 HN GLY 18 -5.985 19.548 -9.961
101 HA2 GLY 18 1HA GLY 18 -4.912 16.970 -10.408
102 HA3 GLY 18 2HA GLY 18 -5.371 17.687 -11.946
103 H VAL 19 HN VAL 19 -4.763 20.406 -11.125
104 HA VAL 19 HA VAL 19 -2.074 20.535 -11.930
105 HB VAL 19 HB VAL 19 -2.206 22.941 -11.173
106 HG11 VAL 19 1HG1 VAL 19 -3.593 23.599 -12.985
107 HG12 VAL 19 2HG1 VAL 19 -2.838 22.073 -13.451
108 HG13 VAL 19 3HG1 VAL 19 -4.517 22.099 -12.909
109 HG21 VAL 19 3HG2 VAL 19 -5.057 23.020 -10.900
110 HG22 VAL 19 1HG2 VAL 19 -4.371 21.948 -9.679
111 HG23 VAL 19 2HG2 VAL 19 -3.815 23.618 -9.799
112 H GLY 20 HN GLY 20 -3.527 20.159 -8.816
113 HA2 GLY 20 1HA GLY 20 -1.095 20.933 -7.405
114 HA3 GLY 20 2HA GLY 20 -2.616 20.450 -6.670
115 H THR 21 HN THR 21 -2.500 18.104 -8.699
116 HB THR 21 HB THR 21 -1.624 16.055 -9.988
117 HG1 THR 21 HG1 THR 21 -3.697 16.474 -8.808
118 HG21 THR 21 3HG2 THR 21 -0.837 14.087 -8.042
119 HG22 THR 21 1HG2 THR 21 -0.736 14.018 -9.801
120 HG23 THR 21 2HG2 THR 21 -2.210 13.502 -8.981
121 H GLU 22 HN GLU 22 0.236 17.524 -9.551
122 HA GLU 22 HA GLU 22 2.540 16.006 -9.065
123 HB2 GLU 22 1HB GLU 22 3.738 17.859 -10.248
124 HB3 GLU 22 2HB GLU 22 2.349 17.223 -11.117
125 HG2 GLU 22 1HG GLU 22 1.008 19.117 -10.392
126 HG3 GLU 22 2HG GLU 22 2.378 19.750 -9.482
127 H PHE 23 HN PHE 23 1.223 18.766 -7.436
128 HA PHE 23 HA PHE 23 3.655 19.478 -6.079
129 HB2 PHE 23 1HB PHE 23 1.450 20.886 -6.609
130 HB3 PHE 23 2HB PHE 23 1.006 20.311 -5.005
131 HD1 PHE 23 HD1 PHE 23 2.935 20.588 -3.200
132 HD2 PHE 23 HD2 PHE 23 2.555 22.886 -6.763
133 HE1 PHE 23 HE1 PHE 23 4.282 22.380 -2.185
134 HE2 PHE 23 HE2 PHE 23 3.902 24.680 -5.754
135 HZ PHE 23 HZ PHE 23 4.769 24.428 -3.462
136 H ALA 24 HN ALA 24 0.528 18.256 -4.869
137 HA ALA 24 HA ALA 24 1.508 17.538 -2.328
138 HB1 ALA 24 1HB ALA 24 -0.734 17.636 -2.174
139 HB2 ALA 24 2HB ALA 24 -0.977 17.132 -3.847
140 HB3 ALA 24 3HB ALA 24 -0.645 15.927 -2.602
141 H ALA 25 HN ALA 25 0.567 15.397 -5.028
142 HB1 ALA 25 1HB ALA 25 0.687 13.532 -6.594
143 HB2 ALA 25 2HB ALA 25 1.262 11.990 -5.957
144 HB3 ALA 25 3HB ALA 25 -0.110 12.800 -5.202
145 H ALA 26 HN ALA 26 3.935 14.457 -3.668
146 HA ALA 26 HA ALA 26 5.509 15.009 -5.932
147 HB1 ALA 26 1HB ALA 26 5.951 14.818 -3.026
148 HB2 ALA 26 2HB ALA 26 7.377 14.582 -4.037
149 HB3 ALA 26 3HB ALA 26 6.437 16.068 -4.171
150 H SER 27 HN SER 27 5.901 12.327 -3.606
151 HA SER 27 HA SER 27 6.082 10.275 -5.476
152 HB2 SER 27 1HB SER 27 8.440 11.905 -5.396
153 HB3 SER 27 2HB SER 27 8.829 10.303 -4.769
154 HG SER 27 HG SER 27 8.267 9.406 -6.669
155 H DTY 28 HN DTY 28 4.952 9.222 -3.850
156 HB2 DTY 28 1HB DTY 28 5.161 10.138 -0.920
157 HB3 DTY 28 2HB DTY 28 6.762 9.482 -0.599
158 HD1 DTY 28 HD1 DTY 28 3.143 8.848 -0.032
159 HD2 DTY 28 HD2 DTY 28 7.128 8.095 1.254
160 HE1 DTY 28 HE1 DTY 28 2.276 7.742 1.986
161 HE2 DTY 28 HE2 DTY 28 6.272 6.988 3.277
162 HH DTY 28 HH DTY 28 4.024 7.166 4.661
163 H PHE 29 HN PHE 29 6.975 7.529 -4.003
164 HA PHE 29 HA PHE 29 8.126 5.241 -2.677
165 HB2 PHE 29 1HB PHE 29 8.156 6.336 -5.458
166 HB3 PHE 29 2HB PHE 29 9.408 5.190 -4.989
167 HD1 PHE 29 HD2 PHE 29 5.703 5.574 -4.751
168 HD2 PHE 29 HD1 PHE 29 9.009 2.970 -5.384
169 HE1 PHE 29 HE2 PHE 29 4.151 3.713 -5.176
170 HE2 PHE 29 HE1 PHE 29 7.463 1.104 -5.810
171 HZ PHE 29 HZ PHE 29 5.030 1.474 -5.706
172 H LEU 30 HN LEU 30 9.386 8.225 -4.153
173 HA LEU 30 HA LEU 30 12.031 7.732 -3.090
174 HB2 LEU 30 1HB LEU 30 10.780 9.728 -4.893
175 HB3 LEU 30 2HB LEU 30 12.236 10.214 -4.028
176 HG LEU 30 HG LEU 30 12.671 9.389 -6.320
177 HD11 LEU 30 1HD1 LEU 30 14.037 7.298 -4.895
178 HD12 LEU 30 2HD1 LEU 30 14.022 8.788 -3.952
179 HD13 LEU 30 3HD1 LEU 30 14.677 8.787 -5.590
180 HD21 LEU 30 3HD2 LEU 30 12.103 6.613 -5.386
181 HD22 LEU 30 1HD2 LEU 30 12.197 7.253 -7.027
182 HD23 LEU 30 2HD2 LEU 30 10.788 7.601 -6.025
Start of MODEL 14
1 H1 GLY 1 HN GLY 1 1.387 -0.138 -4.545
2 HA2 GLY 1 1HA GLY 1 0.401 1.217 -2.976
3 HA3 GLY 1 2HA GLY 1 2.023 1.753 -2.562
4 H TRP 2 HN TRP 2 0.113 2.114 -5.540
5 HA TRP 2 HA TRP 2 0.914 4.845 -5.820
6 HB2 TRP 2 1HB TRP 2 -1.290 3.429 -7.325
7 HB3 TRP 2 2HB TRP 2 -0.383 4.849 -7.839
8 HD1 TRP 2 HD1 TRP 2 -0.025 1.048 -7.459
9 HE1 TRP 2 HE1 TRP 2 1.971 0.270 -8.886
10 HE3 TRP 2 HE3 TRP 2 1.798 5.613 -8.862
11 HZ2 TRP 2 HZ2 TRP 2 4.045 1.437 -10.405
12 HZ3 TRP 2 HZ3 TRP 2 3.792 5.696 -10.302
13 HH2 TRP 2 HH2 TRP 2 4.890 3.650 -11.056
14 H VAL 3 HN VAL 3 -2.247 3.289 -5.261
15 HA VAL 3 HA VAL 3 -3.685 5.669 -4.856
16 HB VAL 3 HB VAL 3 -5.422 4.292 -3.855
17 HG11 VAL 3 1HG1 VAL 3 -4.787 4.235 -6.378
18 HG12 VAL 3 2HG1 VAL 3 -4.298 2.576 -6.029
19 HG13 VAL 3 3HG1 VAL 3 -5.964 3.083 -5.747
20 HG21 VAL 3 3HG2 VAL 3 -3.327 2.122 -3.822
21 HG22 VAL 3 1HG2 VAL 3 -4.090 2.880 -2.425
22 HG23 VAL 3 2HG2 VAL 3 -5.044 1.868 -3.509
23 H ALA 4 HN ALA 4 -1.602 3.846 -2.775
24 HA ALA 4 HA ALA 4 -2.569 4.999 -0.323
25 HB1 ALA 4 1HB ALA 4 -1.185 3.557 0.735
26 HB2 ALA 4 2HB ALA 4 -1.206 2.751 -0.834
27 HB3 ALA 4 3HB ALA 4 0.136 3.812 -0.407
28 H CYS 5 HN CYS 5 -0.273 5.852 -2.757
29 HA CYS 5 HA CYS 5 1.412 7.529 -1.238
30 HB2 CYS 5 1HB CYS 5 2.052 6.746 -3.456
31 HB3 CYS 5 2HB CYS 5 0.708 7.626 -4.179
32 H VAL 6 HN VAL 6 -1.346 8.333 -3.351
33 HA VAL 6 HA VAL 6 -1.401 11.076 -2.794
34 HB VAL 6 HB VAL 6 -2.634 9.977 -4.660
35 HG11 VAL 6 1HG1 VAL 6 -3.650 8.339 -2.726
36 HG12 VAL 6 2HG1 VAL 6 -5.002 9.432 -3.031
37 HG13 VAL 6 3HG1 VAL 6 -4.298 8.507 -4.358
38 HG21 VAL 6 3HG2 VAL 6 -4.313 11.590 -4.747
39 HG22 VAL 6 1HG2 VAL 6 -4.579 11.545 -3.004
40 HG23 VAL 6 2HG2 VAL 6 -3.125 12.300 -3.655
41 H GLY 7 HN GLY 7 -2.547 8.350 -0.976
42 HA2 GLY 7 1HA GLY 7 -4.448 9.638 0.654
43 HA3 GLY 7 2HA GLY 7 -3.565 8.178 1.074
44 H ALA 8 HN ALA 8 -1.104 8.742 1.520
45 HA ALA 8 HA ALA 8 -1.114 10.348 3.869
46 HB1 ALA 8 1HB ALA 8 0.373 8.614 4.057
47 HB2 ALA 8 2HB ALA 8 0.935 8.769 2.392
48 HB3 ALA 8 3HB ALA 8 1.463 9.927 3.612
49 H CYS 9 HN CYS 9 -0.086 10.854 0.556
50 HA CYS 9 HA CYS 9 1.543 13.070 0.810
51 HB2 CYS 9 1HB CYS 9 -0.261 12.034 -1.313
52 HB3 CYS 9 2HB CYS 9 0.290 13.698 -1.475
53 H GLY 10 HN GLY 10 -1.984 13.108 0.241
54 HA2 GLY 10 1HA GLY 10 -2.956 14.785 2.027
55 HA3 GLY 10 2HA GLY 10 -2.052 15.921 1.037
56 H THR 11 HN THR 11 -5.031 15.243 1.601
57 HA THR 11 HA THR 11 -6.208 14.440 -0.822
58 HB THR 11 HB THR 11 -7.595 16.374 0.999
59 HG1 THR 11 HG1 THR 11 -7.436 13.617 1.618
60 HG21 THR 11 3HG2 THR 11 -9.480 15.518 0.117
61 HG22 THR 11 1HG2 THR 11 -8.875 13.863 0.184
62 HG23 THR 11 2HG2 THR 11 -8.420 14.915 -1.157
63 H VAL 12 HN VAL 12 -4.620 17.318 0.010
64 HA VAL 12 HA VAL 12 -6.055 19.155 -1.613
65 HB VAL 12 HB VAL 12 -3.937 20.524 -1.480
66 HG11 VAL 12 1HG1 VAL 12 -4.298 21.154 0.777
67 HG12 VAL 12 2HG1 VAL 12 -5.854 20.599 0.156
68 HG13 VAL 12 3HG1 VAL 12 -4.895 19.550 1.202
69 HG21 VAL 12 3HG2 VAL 12 -2.882 18.758 0.629
70 HG22 VAL 12 1HG2 VAL 12 -2.685 18.179 -1.025
71 HG23 VAL 12 2HG2 VAL 12 -2.030 19.748 -0.555
72 H CYS 13 HN CYS 13 -3.717 16.714 -2.282
73 HA CYS 13 HA CYS 13 -2.499 17.659 -4.590
74 HB2 CYS 13 1HB CYS 13 -2.128 15.456 -3.253
75 HB3 CYS 13 2HB CYS 13 -3.338 14.786 -4.343
76 H LEU 14 HN LEU 14 -5.436 15.649 -4.363
77 HA LEU 14 HA LEU 14 -6.030 15.782 -7.127
78 HB2 LEU 14 1HB LEU 14 -7.857 15.224 -4.794
79 HB3 LEU 14 2HB LEU 14 -8.233 14.912 -6.487
80 HG LEU 14 HG LEU 14 -5.993 13.575 -4.973
81 HD11 LEU 14 1HD1 LEU 14 -8.868 12.872 -5.315
82 HD12 LEU 14 2HD1 LEU 14 -7.815 12.668 -3.916
83 HD13 LEU 14 3HD1 LEU 14 -7.663 11.584 -5.298
84 HD21 LEU 14 3HD2 LEU 14 -5.807 13.764 -7.469
85 HD22 LEU 14 1HD2 LEU 14 -7.282 12.804 -7.584
86 HD23 LEU 14 2HD2 LEU 14 -5.837 12.114 -6.845
87 H ALA 15 HN ALA 15 -6.711 17.874 -4.440
88 HA ALA 15 HA ALA 15 -8.898 19.303 -5.409
89 HB1 ALA 15 1HB ALA 15 -6.757 20.748 -3.929
90 HB2 ALA 15 2HB ALA 15 -8.508 20.800 -3.721
91 HB3 ALA 15 3HB ALA 15 -7.591 19.414 -3.132
92 H SER 16 HN SER 16 -5.593 19.323 -6.413
93 HA SER 16 HA SER 16 -5.923 21.812 -7.907
94 HB2 SER 16 1HB SER 16 -3.550 20.049 -7.315
95 HB3 SER 16 2HB SER 16 -3.474 21.333 -8.522
96 HG SER 16 HG SER 16 -3.569 21.491 -5.765
97 H GLY 17 HN GLY 17 -7.270 19.178 -8.532
98 HA2 GLY 17 1HA GLY 17 -7.885 18.024 -10.418
99 HA3 GLY 17 2HA GLY 17 -7.201 19.361 -11.330
100 H GLY 18 HN GLY 18 -5.090 17.725 -9.165
101 HA2 GLY 18 1HA GLY 18 -3.735 15.801 -9.643
102 HA3 GLY 18 2HA GLY 18 -4.041 16.059 -11.354
103 H VAL 19 HN VAL 19 -3.555 19.007 -10.948
104 HA VAL 19 HA VAL 19 -0.850 19.047 -11.717
105 HB VAL 19 HB VAL 19 -2.411 21.379 -10.604
106 HG11 VAL 19 1HG1 VAL 19 -0.558 22.527 -11.021
107 HG12 VAL 19 2HG1 VAL 19 0.230 21.089 -11.673
108 HG13 VAL 19 3HG1 VAL 19 -0.729 22.126 -12.730
109 HG21 VAL 19 3HG2 VAL 19 -2.868 21.805 -13.084
110 HG22 VAL 19 1HG2 VAL 19 -2.437 20.112 -13.326
111 HG23 VAL 19 2HG2 VAL 19 -3.802 20.536 -12.293
112 H GLY 20 HN GLY 20 -2.377 19.158 -8.607
113 HA2 GLY 20 1HA GLY 20 0.049 20.108 -7.290
114 HA3 GLY 20 2HA GLY 20 -1.499 19.794 -6.519
115 H THR 21 HN THR 21 -1.217 17.161 -8.285
116 HB THR 21 HB THR 21 -0.186 14.979 -9.185
117 HG1 THR 21 HG1 THR 21 -2.307 13.819 -8.849
118 HG21 THR 21 3HG2 THR 21 -0.399 12.583 -8.701
119 HG22 THR 21 1HG2 THR 21 -0.533 12.943 -6.980
120 HG23 THR 21 2HG2 THR 21 0.966 13.294 -7.841
121 H GLU 22 HN GLU 22 1.600 16.675 -8.583
122 HA GLU 22 HA GLU 22 3.818 15.193 -7.691
123 HB2 GLU 22 1HB GLU 22 3.812 16.331 -9.845
124 HB3 GLU 22 2HB GLU 22 3.712 17.893 -9.044
125 HG2 GLU 22 1HG GLU 22 5.906 17.738 -8.228
126 HG3 GLU 22 2HG GLU 22 6.003 16.014 -8.584
127 H PHE 23 HN PHE 23 2.350 18.146 -6.547
128 HA PHE 23 HA PHE 23 4.551 18.869 -4.845
129 HB2 PHE 23 1HB PHE 23 1.743 19.892 -5.191
130 HB3 PHE 23 2HB PHE 23 2.766 20.463 -3.876
131 HD1 PHE 23 HD2 PHE 23 4.996 21.516 -4.471
132 HD2 PHE 23 HD1 PHE 23 1.926 20.797 -7.330
133 HE1 PHE 23 HE2 PHE 23 6.027 23.157 -5.986
134 HE2 PHE 23 HE1 PHE 23 2.953 22.437 -8.850
135 HZ PHE 23 HZ PHE 23 5.006 23.620 -8.178
136 H ALA 24 HN ALA 24 1.179 17.962 -4.108
137 HA ALA 24 HA ALA 24 1.652 17.451 -1.379
138 HB1 ALA 24 1HB ALA 24 -0.558 16.861 -3.282
139 HB2 ALA 24 2HB ALA 24 -0.543 16.039 -1.721
140 HB3 ALA 24 3HB ALA 24 -0.571 17.801 -1.789
141 H ALA 25 HN ALA 25 1.008 15.101 -3.991
142 HB1 ALA 25 1HB ALA 25 1.506 11.558 -4.393
143 HB2 ALA 25 2HB ALA 25 0.137 12.421 -3.692
144 HB3 ALA 25 3HB ALA 25 0.908 13.032 -5.155
145 H ALA 26 HN ALA 26 4.083 14.632 -2.600
146 HA ALA 26 HA ALA 26 5.735 14.329 -4.866
147 HB1 ALA 26 1HB ALA 26 7.443 15.368 -3.592
148 HB2 ALA 26 2HB ALA 26 5.921 16.105 -3.090
149 HB3 ALA 26 3HB ALA 26 6.693 14.891 -2.069
150 H SER 27 HN SER 27 6.356 12.997 -1.616
151 HA SER 27 HA SER 27 8.295 11.172 -2.352
152 HB2 SER 27 1HB SER 27 6.267 10.972 -0.114
153 HB3 SER 27 2HB SER 27 7.698 9.952 -0.257
154 HG SER 27 HG SER 27 8.016 12.732 -0.343
155 H DTY 28 HN DTY 28 4.794 10.626 -2.044
156 HB2 DTY 28 1HB DTY 28 5.631 7.130 -2.720
157 HB3 DTY 28 2HB DTY 28 3.894 6.847 -2.689
158 HD1 DTY 28 HD1 DTY 28 2.882 8.823 -0.843
159 HD2 DTY 28 HD2 DTY 28 6.486 6.571 -0.645
160 HE1 DTY 28 HE1 DTY 28 2.885 9.055 1.605
161 HE2 DTY 28 HE2 DTY 28 6.500 6.798 1.804
162 HH DTY 28 HH DTY 28 5.574 7.868 3.559
163 H PHE 29 HN PHE 29 5.246 10.640 -4.777
164 HA PHE 29 HA PHE 29 4.824 9.165 -7.201
165 HB2 PHE 29 1HB PHE 29 5.198 11.879 -6.491
166 HB3 PHE 29 2HB PHE 29 6.497 11.462 -7.604
167 HD1 PHE 29 HD2 PHE 29 5.272 9.603 -9.439
168 HD2 PHE 29 HD1 PHE 29 3.644 13.110 -7.657
169 HE1 PHE 29 HE2 PHE 29 3.723 9.844 -11.335
170 HE2 PHE 29 HE1 PHE 29 2.092 13.356 -9.550
171 HZ PHE 29 HZ PHE 29 2.131 11.723 -11.393
172 H LEU 30 HN LEU 30 7.609 10.091 -5.246
173 HA LEU 30 HA LEU 30 9.462 8.851 -7.105
174 HB2 LEU 30 1HB LEU 30 9.866 10.979 -5.718
175 HB3 LEU 30 2HB LEU 30 10.147 9.877 -4.371
176 HG LEU 30 HG LEU 30 11.704 9.704 -6.939
177 HD11 LEU 30 1HD1 LEU 30 12.252 11.858 -6.286
178 HD12 LEU 30 2HD1 LEU 30 13.490 10.884 -5.493
179 HD13 LEU 30 3HD1 LEU 30 12.113 11.483 -4.568
180 HD21 LEU 30 3HD2 LEU 30 12.139 8.690 -4.134
181 HD22 LEU 30 1HD2 LEU 30 13.349 8.619 -5.415
182 HD23 LEU 30 2HD2 LEU 30 11.833 7.734 -5.585
Start of MODEL 15
1 H1 GLY 1 HN GLY 1 1.861 -1.504 0.718
2 HA2 GLY 1 1HA GLY 1 3.481 0.688 0.912
3 HA3 GLY 1 2HA GLY 1 3.932 -0.764 0.032
4 H TRP 2 HN TRP 2 2.969 -0.887 -2.239
5 HA TRP 2 HA TRP 2 3.799 1.455 -3.650
6 HB2 TRP 2 1HB TRP 2 3.886 -1.097 -4.327
7 HB3 TRP 2 2HB TRP 2 2.297 -0.748 -5.001
8 HD1 TRP 2 HD1 TRP 2 5.378 1.589 -5.111
9 HE1 TRP 2 HE1 TRP 2 5.931 2.063 -7.580
10 HE3 TRP 2 HE3 TRP 2 1.952 -1.498 -7.317
11 HZ2 TRP 2 HZ2 TRP 2 5.033 1.238 -10.125
12 HZ3 TRP 2 HZ3 TRP 2 1.863 -1.597 -9.774
13 HH2 TRP 2 HH2 TRP 2 3.372 -0.256 -11.147
14 H VAL 3 HN VAL 3 0.690 -0.303 -3.634
15 HA VAL 3 HA VAL 3 -0.759 1.705 -4.966
16 HB VAL 3 HB VAL 3 -1.503 -0.663 -4.723
17 HG11 VAL 3 1HG1 VAL 3 -0.963 -0.592 -2.186
18 HG12 VAL 3 2HG1 VAL 3 -2.600 0.049 -2.034
19 HG13 VAL 3 3HG1 VAL 3 -2.337 -1.541 -2.752
20 HG21 VAL 3 3HG2 VAL 3 -3.075 1.725 -4.604
21 HG22 VAL 3 1HG2 VAL 3 -3.422 0.204 -5.427
22 HG23 VAL 3 2HG2 VAL 3 -3.909 0.428 -3.747
23 H ALA 4 HN ALA 4 0.192 1.350 -1.660
24 HA ALA 4 HA ALA 4 -1.760 3.154 -0.578
25 HB1 ALA 4 1HB ALA 4 -0.693 1.362 0.755
26 HB2 ALA 4 2HB ALA 4 0.834 2.239 0.654
27 HB3 ALA 4 3HB ALA 4 -0.542 2.959 1.489
28 H CYS 5 HN CYS 5 1.406 3.433 -1.984
29 HA CYS 5 HA CYS 5 2.127 5.952 -0.937
30 HB2 CYS 5 1HB CYS 5 3.439 4.124 -2.395
31 HB3 CYS 5 2HB CYS 5 2.996 5.234 -3.688
32 H VAL 6 HN VAL 6 0.629 5.065 -4.045
33 HA VAL 6 HA VAL 6 0.293 7.686 -4.996
34 HB VAL 6 HB VAL 6 0.114 5.765 -6.480
35 HG11 VAL 6 1HG1 VAL 6 -0.965 4.225 -4.900
36 HG12 VAL 6 2HG1 VAL 6 -2.466 5.141 -5.047
37 HG13 VAL 6 3HG1 VAL 6 -1.812 4.287 -6.445
38 HG21 VAL 6 3HG2 VAL 6 -1.500 6.643 -7.871
39 HG22 VAL 6 1HG2 VAL 6 -2.618 6.966 -6.545
40 HG23 VAL 6 2HG2 VAL 6 -1.209 8.000 -6.783
41 H GLY 7 HN GLY 7 -1.610 5.732 -2.811
42 HA2 GLY 7 1HA GLY 7 -3.930 7.433 -2.917
43 HA3 GLY 7 2HA GLY 7 -3.647 6.122 -1.782
44 H ALA 8 HN ALA 8 -1.056 7.214 -0.932
45 HA ALA 8 HA ALA 8 -1.977 8.814 1.215
46 HB1 ALA 8 1HB ALA 8 0.703 7.923 0.253
47 HB2 ALA 8 2HB ALA 8 0.595 9.175 1.492
48 HB3 ALA 8 3HB ALA 8 -0.115 7.586 1.779
49 H CYS 9 HN CYS 9 -0.889 9.557 -1.966
50 HA CYS 9 HA CYS 9 0.178 12.089 -1.714
51 HB2 CYS 9 1HB CYS 9 -1.132 10.551 -3.832
52 HB3 CYS 9 2HB CYS 9 -1.340 12.291 -4.008
53 H GLY 10 HN GLY 10 -3.229 11.458 -2.582
54 HA2 GLY 10 1HA GLY 10 -5.156 12.578 -2.020
55 HA3 GLY 10 2HA GLY 10 -4.282 13.244 -0.649
56 H THR 11 HN THR 11 -6.005 14.121 -3.232
57 HA THR 11 HA THR 11 -4.473 16.117 -4.492
58 HB THR 11 HB THR 11 -6.653 17.080 -5.204
59 HG1 THR 11 HG1 THR 11 -8.472 15.525 -4.539
60 HG21 THR 11 3HG2 THR 11 -5.589 15.184 -6.411
61 HG22 THR 11 1HG2 THR 11 -7.346 15.202 -6.554
62 HG23 THR 11 2HG2 THR 11 -6.562 14.072 -5.450
63 H VAL 12 HN VAL 12 -3.374 17.268 -2.866
64 HA VAL 12 HA VAL 12 -4.819 18.672 -0.814
65 HB VAL 12 HB VAL 12 -1.947 19.005 -1.694
66 HG11 VAL 12 1HG1 VAL 12 -3.295 19.824 0.878
67 HG12 VAL 12 2HG1 VAL 12 -1.598 20.062 0.456
68 HG13 VAL 12 3HG1 VAL 12 -2.858 20.918 -0.434
69 HG21 VAL 12 3HG2 VAL 12 -1.578 17.022 -0.758
70 HG22 VAL 12 1HG2 VAL 12 -2.097 17.701 0.785
71 HG23 VAL 12 2HG2 VAL 12 -3.265 16.893 -0.260
72 H CYS 13 HN CYS 13 -2.929 19.698 -3.659
73 HA CYS 13 HA CYS 13 -3.431 22.419 -3.512
74 HB2 CYS 13 1HB CYS 13 -3.061 22.399 -6.013
75 HB3 CYS 13 2HB CYS 13 -1.794 21.635 -5.058
76 H LEU 14 HN LEU 14 -5.469 19.830 -4.667
77 HA LEU 14 HA LEU 14 -7.345 21.372 -6.093
78 HB2 LEU 14 1HB LEU 14 -7.261 18.989 -6.364
79 HB3 LEU 14 2HB LEU 14 -7.615 18.739 -4.656
80 HG LEU 14 HG LEU 14 -9.855 19.917 -5.183
81 HD11 LEU 14 1HD1 LEU 14 -8.724 19.434 -7.892
82 HD12 LEU 14 2HD1 LEU 14 -9.712 20.769 -7.300
83 HD13 LEU 14 3HD1 LEU 14 -10.455 19.207 -7.641
84 HD21 LEU 14 3HD2 LEU 14 -9.351 17.182 -6.346
85 HD22 LEU 14 1HD2 LEU 14 -10.874 17.814 -5.720
86 HD23 LEU 14 2HD2 LEU 14 -9.525 17.515 -4.623
87 H ALA 15 HN ALA 15 -7.641 19.977 -2.820
88 HA ALA 15 HA ALA 15 -9.989 21.272 -2.093
89 HB1 ALA 15 1HB ALA 15 -9.017 19.417 -0.828
90 HB2 ALA 15 2HB ALA 15 -7.709 20.470 -0.288
91 HB3 ALA 15 3HB ALA 15 -9.368 20.796 0.213
92 H SER 16 HN SER 16 -6.696 22.435 -2.132
93 HA SER 16 HA SER 16 -7.515 24.931 -0.828
94 HB2 SER 16 1HB SER 16 -5.386 23.549 -0.197
95 HB3 SER 16 2HB SER 16 -4.687 24.316 -1.623
96 HG SER 16 HG SER 16 -4.596 25.370 0.626
97 H GLY 17 HN GLY 17 -8.029 23.997 -3.690
98 HA2 GLY 17 1HA GLY 17 -8.258 25.053 -5.718
99 HA3 GLY 17 2HA GLY 17 -7.768 26.538 -4.915
100 H GLY 18 HN GLY 18 -6.989 24.494 -7.351
101 HA2 GLY 18 1HA GLY 18 -4.675 25.716 -8.147
102 HA3 GLY 18 2HA GLY 18 -4.133 24.429 -7.080
103 H VAL 19 HN VAL 19 -4.810 25.217 -10.227
104 HA VAL 19 HA VAL 19 -5.976 22.878 -11.256
105 HB VAL 19 HB VAL 19 -4.862 23.556 -13.421
106 HG11 VAL 19 1HG1 VAL 19 -6.270 25.902 -12.209
107 HG12 VAL 19 2HG1 VAL 19 -6.425 25.220 -13.829
108 HG13 VAL 19 3HG1 VAL 19 -7.118 24.375 -12.445
109 HG21 VAL 19 3HG2 VAL 19 -4.065 26.068 -11.994
110 HG22 VAL 19 1HG2 VAL 19 -2.957 24.702 -12.117
111 HG23 VAL 19 2HG2 VAL 19 -3.561 25.481 -13.579
112 H GLY 20 HN GLY 20 -2.875 23.428 -9.958
113 HA2 GLY 20 1HA GLY 20 -1.635 21.231 -11.424
114 HA3 GLY 20 2HA GLY 20 -0.844 22.284 -10.260
115 H THR 21 HN THR 21 -3.872 20.592 -9.698
116 HB THR 21 HB THR 21 -5.172 18.499 -9.185
117 HG1 THR 21 HG1 THR 21 -5.311 20.728 -8.099
118 HG21 THR 21 3HG2 THR 21 -4.631 16.760 -7.600
119 HG22 THR 21 1HG2 THR 21 -6.217 17.421 -7.203
120 HG23 THR 21 2HG2 THR 21 -4.806 17.883 -6.251
121 H GLU 22 HN GLU 22 -2.382 18.388 -10.330
122 HA GLU 22 HA GLU 22 -1.851 15.708 -9.677
123 HB2 GLU 22 1HB GLU 22 -0.383 15.734 -11.688
124 HB3 GLU 22 2HB GLU 22 -1.990 16.385 -11.982
125 HG2 GLU 22 1HG GLU 22 -1.118 18.649 -11.845
126 HG3 GLU 22 2HG GLU 22 0.493 18.018 -11.504
127 H PHE 23 HN PHE 23 -0.252 18.572 -8.786
128 HA PHE 23 HA PHE 23 2.388 17.532 -8.509
129 HB2 PHE 23 1HB PHE 23 1.662 19.995 -8.645
130 HB3 PHE 23 2HB PHE 23 1.273 19.845 -6.935
131 HD1 PHE 23 HD1 PHE 23 3.967 19.874 -9.417
132 HD2 PHE 23 HD2 PHE 23 3.000 19.678 -5.276
133 HE1 PHE 23 HE1 PHE 23 6.317 20.334 -8.849
134 HE2 PHE 23 HE2 PHE 23 5.347 20.139 -4.703
135 HZ PHE 23 HZ PHE 23 7.009 20.469 -6.490
136 H ALA 24 HN ALA 24 -0.483 17.314 -6.640
137 HA ALA 24 HA ALA 24 0.549 16.976 -4.062
138 HB1 ALA 24 1HB ALA 24 -1.728 17.199 -4.044
139 HB2 ALA 24 2HB ALA 24 -1.955 16.144 -5.439
140 HB3 ALA 24 3HB ALA 24 -1.585 15.451 -3.861
141 H ALA 25 HN ALA 25 -0.275 14.494 -6.487
142 HB1 ALA 25 1HB ALA 25 -0.143 12.468 -7.756
143 HB2 ALA 25 2HB ALA 25 0.456 11.009 -6.966
144 HB3 ALA 25 3HB ALA 25 -0.965 11.837 -6.329
145 H ALA 26 HN ALA 26 2.938 13.877 -4.867
146 HA ALA 26 HA ALA 26 4.663 14.048 -7.062
147 HB1 ALA 26 1HB ALA 26 5.410 13.852 -4.146
148 HB2 ALA 26 2HB ALA 26 6.426 14.474 -5.448
149 HB3 ALA 26 3HB ALA 26 4.955 15.332 -4.990
150 H SER 27 HN SER 27 5.190 11.887 -4.278
151 HA SER 27 HA SER 27 5.338 9.485 -5.673
152 HB2 SER 27 1HB SER 27 7.202 10.123 -6.925
153 HB3 SER 27 2HB SER 27 7.900 11.049 -5.597
154 HG SER 27 HG SER 27 8.931 8.987 -6.042
155 H DTY 28 HN DTY 28 4.762 8.242 -4.022
156 HB2 DTY 28 1HB DTY 28 4.294 9.648 -1.328
157 HB3 DTY 28 2HB DTY 28 5.974 9.676 -0.803
158 HD1 DTY 28 HD1 DTY 28 6.571 8.857 1.309
159 HD2 DTY 28 HD2 DTY 28 2.755 7.884 -0.301
160 HE1 DTY 28 HE1 DTY 28 5.918 7.876 3.467
161 HE2 DTY 28 HE2 DTY 28 2.091 6.900 1.852
162 HH DTY 28 HH DTY 28 3.991 7.283 4.712
163 H PHE 29 HN PHE 29 7.244 7.379 -3.729
164 HA PHE 29 HA PHE 29 8.921 5.858 -1.965
165 HB2 PHE 29 1HB PHE 29 8.583 5.428 -4.451
166 HB3 PHE 29 2HB PHE 29 9.631 6.813 -4.738
167 HD1 PHE 29 HD2 PHE 29 9.859 4.083 -2.218
168 HD2 PHE 29 HD1 PHE 29 11.600 5.981 -5.606
169 HE1 PHE 29 HE2 PHE 29 11.831 2.627 -2.016
170 HE2 PHE 29 HE1 PHE 29 13.575 4.527 -5.410
171 HZ PHE 29 HZ PHE 29 13.693 2.848 -3.613
172 H LEU 30 HN LEU 30 9.112 9.020 -3.541
173 HA LEU 30 HA LEU 30 11.672 9.595 -2.308
174 HB2 LEU 30 1HB LEU 30 10.175 10.583 -4.522
175 HB3 LEU 30 2HB LEU 30 10.523 11.926 -3.434
176 HG LEU 30 HG LEU 30 12.177 11.618 -5.275
177 HD11 LEU 30 1HD1 LEU 30 12.693 12.752 -3.121
178 HD12 LEU 30 2HD1 LEU 30 14.095 12.025 -3.905
179 HD13 LEU 30 3HD1 LEU 30 13.342 11.224 -2.525
180 HD21 LEU 30 3HD2 LEU 30 13.632 9.785 -5.349
181 HD22 LEU 30 1HD2 LEU 30 12.038 9.071 -5.105
182 HD23 LEU 30 2HD2 LEU 30 13.152 9.224 -3.747
Start of MODEL 16
1 H1 GLY 1 HN GLY 1 2.112 0.499 -2.695
2 HA2 GLY 1 1HA GLY 1 2.998 1.179 -4.700
3 HA3 GLY 1 2HA GLY 1 1.352 1.087 -5.309
4 H TRP 2 HN TRP 2 1.982 2.893 -6.670
5 HA TRP 2 HA TRP 2 2.733 5.402 -5.619
6 HB2 TRP 2 1HB TRP 2 2.249 6.287 -7.810
7 HB3 TRP 2 2HB TRP 2 2.999 4.704 -8.003
8 HD1 TRP 2 HD1 TRP 2 1.491 2.741 -8.997
9 HE1 TRP 2 HE1 TRP 2 -0.740 2.757 -10.281
10 HE3 TRP 2 HE3 TRP 2 0.004 7.526 -7.980
11 HZ2 TRP 2 HZ2 TRP 2 -2.850 4.560 -10.794
12 HZ3 TRP 2 HZ3 TRP 2 -2.133 8.318 -8.906
13 HH2 TRP 2 HH2 TRP 2 -3.529 6.865 -10.284
14 H VAL 3 HN VAL 3 -0.338 3.818 -5.979
15 HA VAL 3 HA VAL 3 -2.039 6.051 -5.867
16 HB VAL 3 HB VAL 3 -2.866 3.840 -6.480
17 HG11 VAL 3 1HG1 VAL 3 -1.401 2.660 -4.767
18 HG12 VAL 3 2HG1 VAL 3 -2.664 3.032 -3.592
19 HG13 VAL 3 3HG1 VAL 3 -3.031 2.025 -4.993
20 HG21 VAL 3 3HG2 VAL 3 -4.441 5.503 -5.599
21 HG22 VAL 3 1HG2 VAL 3 -4.938 3.858 -5.201
22 HG23 VAL 3 2HG2 VAL 3 -4.187 4.875 -3.971
23 H ALA 4 HN ALA 4 -0.231 4.384 -3.412
24 HA ALA 4 HA ALA 4 -1.696 5.489 -1.197
25 HB1 ALA 4 1HB ALA 4 1.005 4.556 -0.617
26 HB2 ALA 4 2HB ALA 4 -0.544 4.031 0.043
27 HB3 ALA 4 3HB ALA 4 0.027 3.375 -1.491
28 H CYS 5 HN CYS 5 1.352 6.190 -2.851
29 HA CYS 5 HA CYS 5 2.199 8.233 -1.082
30 HB2 CYS 5 1HB CYS 5 3.069 7.102 -3.627
31 HB3 CYS 5 2HB CYS 5 3.333 8.841 -3.538
32 H VAL 6 HN VAL 6 0.450 8.299 -4.167
33 HA VAL 6 HA VAL 6 0.288 11.073 -4.469
34 HB VAL 6 HB VAL 6 -0.308 9.484 -6.251
35 HG11 VAL 6 1HG1 VAL 6 -1.475 7.789 -5.054
36 HG12 VAL 6 2HG1 VAL 6 -2.693 8.937 -4.495
37 HG13 VAL 6 3HG1 VAL 6 -2.613 8.495 -6.201
38 HG21 VAL 6 3HG2 VAL 6 -2.663 11.248 -5.609
39 HG22 VAL 6 1HG2 VAL 6 -1.122 11.863 -6.207
40 HG23 VAL 6 2HG2 VAL 6 -2.077 10.761 -7.199
41 H GLY 7 HN GLY 7 -1.451 8.905 -2.389
42 HA2 GLY 7 1HA GLY 7 -3.594 10.762 -1.836
43 HA3 GLY 7 2HA GLY 7 -3.303 9.229 -1.027
44 H ALA 8 HN ALA 8 -0.817 9.502 0.004
45 HA ALA 8 HA ALA 8 -1.284 11.164 2.262
46 HB1 ALA 8 1HB ALA 8 0.844 10.388 3.068
47 HB2 ALA 8 2HB ALA 8 -0.016 9.034 2.335
48 HB3 ALA 8 3HB ALA 8 1.294 9.825 1.458
49 H CYS 9 HN CYS 9 0.166 11.703 -0.793
50 HA CYS 9 HA CYS 9 2.101 13.605 -0.296
51 HB2 CYS 9 1HB CYS 9 0.319 12.958 -2.559
52 HB3 CYS 9 2HB CYS 9 0.972 14.593 -2.563
53 H GLY 10 HN GLY 10 -1.215 14.452 -1.311
54 HA2 GLY 10 1HA GLY 10 -1.495 16.387 0.799
55 HA3 GLY 10 2HA GLY 10 -1.185 17.124 -0.766
56 H THR 11 HN THR 11 -3.574 16.407 1.297
57 HA THR 11 HA THR 11 -5.570 15.192 -0.252
58 HB THR 11 HB THR 11 -6.282 17.300 1.752
59 HG1 THR 11 HG1 THR 11 -5.053 14.790 2.292
60 HG21 THR 11 3HG2 THR 11 -7.845 15.352 2.413
61 HG22 THR 11 1HG2 THR 11 -7.377 14.651 0.865
62 HG23 THR 11 2HG2 THR 11 -8.175 16.222 0.916
63 H VAL 12 HN VAL 12 -4.181 18.301 -0.466
64 HA VAL 12 HA VAL 12 -6.406 19.699 -1.567
65 HB VAL 12 HB VAL 12 -3.480 20.333 -1.959
66 HG11 VAL 12 1HG1 VAL 12 -4.532 22.703 -1.971
67 HG12 VAL 12 2HG1 VAL 12 -4.645 21.702 -3.420
68 HG13 VAL 12 3HG1 VAL 12 -6.031 21.850 -2.338
69 HG21 VAL 12 3HG2 VAL 12 -4.130 21.983 -0.001
70 HG22 VAL 12 1HG2 VAL 12 -5.288 20.707 0.373
71 HG23 VAL 12 2HG2 VAL 12 -3.562 20.346 0.328
72 H CYS 13 HN CYS 13 -4.356 17.306 -2.792
73 HA CYS 13 HA CYS 13 -4.012 18.000 -5.458
74 HB2 CYS 13 1HB CYS 13 -4.085 15.478 -3.919
75 HB3 CYS 13 2HB CYS 13 -4.385 15.318 -5.647
76 H LEU 14 HN LEU 14 -6.633 15.994 -4.099
77 HA LEU 14 HA LEU 14 -8.143 15.946 -6.491
78 HB2 LEU 14 1HB LEU 14 -8.276 14.767 -3.948
79 HB3 LEU 14 2HB LEU 14 -9.791 15.643 -4.156
80 HG LEU 14 HG LEU 14 -9.924 13.263 -4.818
81 HD11 LEU 14 1HD1 LEU 14 -11.438 13.740 -6.407
82 HD12 LEU 14 2HD1 LEU 14 -10.281 14.636 -7.391
83 HD13 LEU 14 3HD1 LEU 14 -11.052 15.414 -6.009
84 HD21 LEU 14 3HD2 LEU 14 -7.527 13.279 -5.719
85 HD22 LEU 14 1HD2 LEU 14 -8.221 13.967 -7.187
86 HD23 LEU 14 2HD2 LEU 14 -8.740 12.376 -6.628
87 H ALA 15 HN ALA 15 -8.372 17.915 -3.551
88 HA ALA 15 HA ALA 15 -10.688 19.332 -4.173
89 HB1 ALA 15 1HB ALA 15 -8.505 20.786 -2.790
90 HB2 ALA 15 2HB ALA 15 -10.211 20.628 -2.367
91 HB3 ALA 15 3HB ALA 15 -9.096 19.300 -2.046
92 H SER 16 HN SER 16 -7.487 19.595 -5.459
93 HA SER 16 HA SER 16 -8.048 22.186 -6.685
94 HB2 SER 16 1HB SER 16 -5.809 21.667 -5.634
95 HB3 SER 16 2HB SER 16 -5.537 20.521 -6.947
96 HG SER 16 HG SER 16 -5.024 23.072 -6.979
97 H GLY 17 HN GLY 17 -8.186 18.853 -7.413
98 HA2 GLY 17 1HA GLY 17 -9.434 18.203 -9.392
99 HA3 GLY 17 2HA GLY 17 -8.641 19.515 -10.252
100 H GLY 18 HN GLY 18 -5.997 19.018 -9.289
101 HA2 GLY 18 1HA GLY 18 -4.880 16.589 -9.375
102 HA3 GLY 18 2HA GLY 18 -5.330 16.812 -11.059
103 H VAL 19 HN VAL 19 -4.836 19.807 -10.569
104 HA VAL 19 HA VAL 19 -2.253 19.904 -11.677
105 HB VAL 19 HB VAL 19 -3.964 21.693 -11.932
106 HG11 VAL 19 1HG1 VAL 19 -3.132 22.585 -9.179
107 HG12 VAL 19 2HG1 VAL 19 -4.384 23.278 -10.213
108 HG13 VAL 19 3HG1 VAL 19 -4.611 21.680 -9.501
109 HG21 VAL 19 3HG2 VAL 19 -1.341 21.920 -12.115
110 HG22 VAL 19 1HG2 VAL 19 -2.397 23.321 -12.293
111 HG23 VAL 19 2HG2 VAL 19 -1.574 23.026 -10.761
112 H GLY 20 HN GLY 20 -3.368 19.839 -8.394
113 HA2 GLY 20 1HA GLY 20 -0.741 20.650 -7.379
114 HA3 GLY 20 2HA GLY 20 -2.198 20.435 -6.420
115 H THR 21 HN THR 21 -2.553 17.815 -8.015
116 HB THR 21 HB THR 21 -2.014 15.505 -9.051
117 HG1 THR 21 HG1 THR 21 -4.107 14.630 -8.157
118 HG21 THR 21 3HG2 THR 21 -2.013 13.584 -6.721
119 HG22 THR 21 1HG2 THR 21 -0.777 13.708 -7.972
120 HG23 THR 21 2HG2 THR 21 -2.401 13.162 -8.389
121 H GLU 22 HN GLU 22 -0.058 16.570 -9.178
122 HA GLU 22 HA GLU 22 2.194 15.024 -8.529
123 HB2 GLU 22 1HB GLU 22 1.613 17.144 -10.555
124 HB3 GLU 22 2HB GLU 22 3.276 16.624 -10.324
125 HG2 GLU 22 1HG GLU 22 2.602 14.311 -10.787
126 HG3 GLU 22 2HG GLU 22 0.952 14.862 -11.067
127 H PHE 23 HN PHE 23 1.278 18.226 -7.635
128 HA PHE 23 HA PHE 23 3.890 19.184 -6.994
129 HB2 PHE 23 1HB PHE 23 1.760 20.559 -7.452
130 HB3 PHE 23 2HB PHE 23 1.337 20.216 -5.777
131 HD1 PHE 23 HD2 PHE 23 3.015 20.892 -3.975
132 HD2 PHE 23 HD1 PHE 23 3.166 22.329 -7.979
133 HE1 PHE 23 HE2 PHE 23 4.395 22.790 -3.238
134 HE2 PHE 23 HE1 PHE 23 4.548 24.229 -7.248
135 HZ PHE 23 HZ PHE 23 5.163 24.462 -4.874
136 H ALA 24 HN ALA 24 1.144 18.283 -4.900
137 HA ALA 24 HA ALA 24 2.609 18.277 -2.505
138 HB1 ALA 24 1HB ALA 24 0.238 18.416 -2.398
139 HB2 ALA 24 2HB ALA 24 0.046 16.893 -3.266
140 HB3 ALA 24 3HB ALA 24 0.703 16.898 -1.629
141 H ALA 25 HN ALA 25 2.195 15.862 -4.985
142 HB1 ALA 25 1HB ALA 25 3.258 12.477 -5.586
143 HB2 ALA 25 2HB ALA 25 1.750 13.388 -5.497
144 HB3 ALA 25 3HB ALA 25 3.098 14.006 -6.450
145 H ALA 26 HN ALA 26 4.976 14.522 -2.421
146 HA ALA 26 HA ALA 26 7.221 15.510 -3.784
147 HB1 ALA 26 1HB ALA 26 7.460 15.983 -1.590
148 HB2 ALA 26 2HB ALA 26 6.659 14.499 -1.072
149 HB3 ALA 26 3HB ALA 26 8.346 14.458 -1.582
150 H SER 27 HN SER 27 7.105 12.356 -2.133
151 HA SER 27 HA SER 27 7.747 10.751 -4.313
152 HB2 SER 27 1HB SER 27 10.018 12.231 -3.210
153 HB3 SER 27 2HB SER 27 10.276 10.487 -3.234
154 HG SER 27 HG SER 27 10.928 11.328 -5.198
155 H DTY 28 HN DTY 28 6.193 9.614 -3.005
156 HB2 DTY 28 1HB DTY 28 6.324 9.847 0.094
157 HB3 DTY 28 2HB DTY 28 7.753 8.845 0.322
158 HD1 DTY 28 HD1 DTY 28 4.100 9.013 0.783
159 HD2 DTY 28 HD2 DTY 28 7.657 6.825 1.603
160 HE1 DTY 28 HE1 DTY 28 2.886 7.674 2.451
161 HE2 DTY 28 HE2 DTY 28 6.452 5.481 3.274
162 HH DTY 28 HH DTY 28 3.778 6.270 4.689
163 H PHE 29 HN PHE 29 7.074 7.093 -3.539
164 HA PHE 29 HA PHE 29 8.367 4.808 -2.337
165 HB2 PHE 29 1HB PHE 29 7.332 5.532 -4.998
166 HB3 PHE 29 2HB PHE 29 8.768 4.515 -5.022
167 HD1 PHE 29 HD1 PHE 29 5.341 4.752 -3.626
168 HD2 PHE 29 HD2 PHE 29 8.606 2.221 -4.650
169 HE1 PHE 29 HE1 PHE 29 3.940 2.776 -3.193
170 HE2 PHE 29 HE2 PHE 29 7.211 0.241 -4.221
171 HZ PHE 29 HZ PHE 29 4.874 0.517 -3.492
172 H LEU 30 HN LEU 30 9.353 7.217 -4.779
173 HA LEU 30 HA LEU 30 12.146 6.557 -4.331
174 HB2 LEU 30 1HB LEU 30 12.511 8.293 -6.121
175 HB3 LEU 30 2HB LEU 30 11.599 6.862 -6.597
176 HG LEU 30 HG LEU 30 9.980 9.166 -5.727
177 HD11 LEU 30 1HD1 LEU 30 11.538 10.475 -6.898
178 HD12 LEU 30 2HD1 LEU 30 10.236 10.169 -8.048
179 HD13 LEU 30 3HD1 LEU 30 11.741 9.257 -8.158
180 HD21 LEU 30 3HD2 LEU 30 8.572 7.661 -6.617
181 HD22 LEU 30 1HD2 LEU 30 9.843 6.873 -7.551
182 HD23 LEU 30 2HD2 LEU 30 9.087 8.346 -8.159
Start of MODEL 17
1 H1 GLY 1 HN GLY 1 -0.967 -1.302 -2.969
2 HA2 GLY 1 1HA GLY 1 1.579 -0.300 -2.808
3 HA3 GLY 1 2HA GLY 1 0.816 -0.764 -4.321
4 H TRP 2 HN TRP 2 0.718 0.762 -5.819
5 HA TRP 2 HA TRP 2 1.611 3.386 -5.394
6 HB2 TRP 2 1HB TRP 2 1.640 2.205 -7.588
7 HB3 TRP 2 2HB TRP 2 -0.110 2.387 -7.673
8 HD1 TRP 2 HD1 TRP 2 2.822 4.874 -7.049
9 HE1 TRP 2 HE1 TRP 2 2.404 6.955 -8.505
10 HE3 TRP 2 HE3 TRP 2 -1.553 3.443 -9.273
11 HZ2 TRP 2 HZ2 TRP 2 0.475 7.868 -10.353
12 HZ3 TRP 2 HZ3 TRP 2 -2.620 4.978 -10.872
13 HH2 TRP 2 HH2 TRP 2 -1.626 7.145 -11.399
14 H VAL 3 HN VAL 3 -1.594 1.976 -5.335
15 HA VAL 3 HA VAL 3 -3.118 4.327 -5.476
16 HB VAL 3 HB VAL 3 -4.876 3.007 -4.257
17 HG11 VAL 3 1HG1 VAL 3 -4.821 1.122 -6.104
18 HG12 VAL 3 2HG1 VAL 3 -5.138 2.807 -6.520
19 HG13 VAL 3 3HG1 VAL 3 -3.528 2.127 -6.758
20 HG21 VAL 3 3HG2 VAL 3 -4.477 0.671 -3.781
21 HG22 VAL 3 1HG2 VAL 3 -2.818 0.804 -4.365
22 HG23 VAL 3 2HG2 VAL 3 -3.309 1.657 -2.901
23 H ALA 4 HN ALA 4 -1.228 2.973 -2.918
24 HA ALA 4 HA ALA 4 -2.509 4.441 -0.800
25 HB1 ALA 4 1HB ALA 4 -1.042 3.396 0.645
26 HB2 ALA 4 2HB ALA 4 -1.169 2.220 -0.663
27 HB3 ALA 4 3HB ALA 4 0.236 3.281 -0.566
28 H CYS 5 HN CYS 5 0.393 4.805 -2.779
29 HA CYS 5 HA CYS 5 1.448 7.035 -1.384
30 HB2 CYS 5 1HB CYS 5 2.561 5.433 -3.132
31 HB3 CYS 5 2HB CYS 5 1.946 6.592 -4.307
32 H VAL 6 HN VAL 6 -0.612 6.734 -4.251
33 HA VAL 6 HA VAL 6 -0.726 9.455 -4.921
34 HB VAL 6 HB VAL 6 -2.871 8.882 -6.069
35 HG11 VAL 6 1HG1 VAL 6 -0.371 8.342 -6.822
36 HG12 VAL 6 2HG1 VAL 6 -1.011 6.698 -6.805
37 HG13 VAL 6 3HG1 VAL 6 -1.771 7.931 -7.812
38 HG21 VAL 6 3HG2 VAL 6 -3.573 6.531 -6.116
39 HG22 VAL 6 1HG2 VAL 6 -2.351 6.148 -4.904
40 HG23 VAL 6 2HG2 VAL 6 -3.694 7.215 -4.496
41 H GLY 7 HN GLY 7 -2.540 7.545 -2.596
42 HA2 GLY 7 1HA GLY 7 -4.428 9.662 -2.047
43 HA3 GLY 7 2HA GLY 7 -4.295 8.132 -1.192
44 H ALA 8 HN ALA 8 -1.778 8.124 -0.229
45 HA ALA 8 HA ALA 8 -1.959 9.930 1.962
46 HB1 ALA 8 1HB ALA 8 0.383 8.976 2.455
47 HB2 ALA 8 2HB ALA 8 -1.000 7.882 2.501
48 HB3 ALA 8 3HB ALA 8 0.065 7.898 1.096
49 H CYS 9 HN CYS 9 -0.791 10.313 -1.158
50 HA CYS 9 HA CYS 9 1.521 11.787 -0.955
51 HB2 CYS 9 1HB CYS 9 -0.577 11.441 -2.909
52 HB3 CYS 9 2HB CYS 9 -0.015 13.109 -2.901
53 H GLY 10 HN GLY 10 -1.596 13.423 -1.475
54 HA2 GLY 10 1HA GLY 10 -1.513 15.051 0.811
55 HA3 GLY 10 2HA GLY 10 -0.710 15.904 -0.498
56 H THR 11 HN THR 11 -3.696 15.023 0.892
57 HA THR 11 HA THR 11 -5.413 15.320 -1.321
58 HB THR 11 HB THR 11 -6.359 16.185 1.368
59 HG1 THR 11 HG1 THR 11 -5.822 14.365 2.300
60 HG21 THR 11 3HG2 THR 11 -8.042 16.019 -0.274
61 HG22 THR 11 1HG2 THR 11 -8.199 14.551 0.690
62 HG23 THR 11 2HG2 THR 11 -7.410 14.491 -0.886
63 H VAL 12 HN VAL 12 -3.506 17.589 0.286
64 HA VAL 12 HA VAL 12 -5.165 19.885 0.100
65 HB VAL 12 HB VAL 12 -2.149 19.871 0.053
66 HG11 VAL 12 1HG1 VAL 12 -3.143 21.961 1.616
67 HG12 VAL 12 2HG1 VAL 12 -2.425 22.078 0.008
68 HG13 VAL 12 3HG1 VAL 12 -4.173 21.918 0.184
69 HG21 VAL 12 3HG2 VAL 12 -2.762 20.289 2.648
70 HG22 VAL 12 1HG2 VAL 12 -4.036 19.155 2.198
71 HG23 VAL 12 2HG2 VAL 12 -2.343 18.712 1.979
72 H CYS 13 HN CYS 13 -2.392 18.846 -1.894
73 HA CYS 13 HA CYS 13 -2.600 20.814 -3.848
74 HB2 CYS 13 1HB CYS 13 -1.125 19.518 -5.146
75 HB3 CYS 13 2HB CYS 13 -0.737 19.087 -3.484
76 H LEU 14 HN LEU 14 -4.526 18.000 -3.310
77 HA LEU 14 HA LEU 14 -5.579 17.696 -5.922
78 HB2 LEU 14 1HB LEU 14 -5.672 16.161 -3.782
79 HB3 LEU 14 2HB LEU 14 -7.193 17.009 -3.515
80 HG LEU 14 HG LEU 14 -6.655 15.663 -6.135
81 HD11 LEU 14 1HD1 LEU 14 -6.261 14.126 -4.098
82 HD12 LEU 14 2HD1 LEU 14 -7.342 13.582 -5.380
83 HD13 LEU 14 3HD1 LEU 14 -8.008 14.232 -3.882
84 HD21 LEU 14 3HD2 LEU 14 -8.999 16.696 -4.621
85 HD22 LEU 14 1HD2 LEU 14 -9.233 15.322 -5.703
86 HD23 LEU 14 2HD2 LEU 14 -8.602 16.844 -6.334
87 H ALA 15 HN ALA 15 -6.195 19.935 -3.387
88 HA ALA 15 HA ALA 15 -8.844 20.658 -3.898
89 HB1 ALA 15 1HB ALA 15 -6.668 22.551 -3.035
90 HB2 ALA 15 2HB ALA 15 -8.397 22.667 -2.703
91 HB3 ALA 15 3HB ALA 15 -7.439 21.389 -1.955
92 H SER 16 HN SER 16 -6.023 21.134 -5.776
93 HA SER 16 HA SER 16 -7.185 23.335 -7.298
94 HB2 SER 16 1HB SER 16 -4.518 21.938 -7.620
95 HB3 SER 16 2HB SER 16 -5.032 23.389 -8.480
96 HG SER 16 HG SER 16 -4.714 24.558 -6.731
97 H GLY 17 HN GLY 17 -8.205 20.490 -7.277
98 HA2 GLY 17 1HA GLY 17 -9.515 19.619 -9.090
99 HA3 GLY 17 2HA GLY 17 -8.285 20.197 -10.205
100 H GLY 18 HN GLY 18 -6.209 19.080 -10.219
101 HA2 GLY 18 1HA GLY 18 -5.907 16.574 -8.876
102 HA3 GLY 18 2HA GLY 18 -6.407 16.355 -10.547
103 H VAL 19 HN VAL 19 -4.980 18.639 -11.573
104 HA VAL 19 HA VAL 19 -2.516 17.432 -12.171
105 HB VAL 19 HB VAL 19 -3.215 20.360 -12.434
106 HG11 VAL 19 1HG1 VAL 19 -1.571 19.535 -14.532
107 HG12 VAL 19 2HG1 VAL 19 -1.126 20.565 -13.170
108 HG13 VAL 19 3HG1 VAL 19 -0.865 18.822 -13.082
109 HG21 VAL 19 3HG2 VAL 19 -3.725 19.633 -14.832
110 HG22 VAL 19 1HG2 VAL 19 -3.800 17.993 -14.187
111 HG23 VAL 19 2HG2 VAL 19 -4.911 19.227 -13.592
112 H GLY 20 HN GLY 20 -3.499 19.425 -9.535
113 HA2 GLY 20 1HA GLY 20 -0.856 20.335 -8.841
114 HA3 GLY 20 2HA GLY 20 -2.309 20.505 -7.868
115 H THR 21 HN THR 21 -2.982 17.714 -7.830
116 HB THR 21 HB THR 21 -2.993 15.171 -7.672
117 HG1 THR 21 HG1 THR 21 -4.654 15.210 -5.839
118 HG21 THR 21 3HG2 THR 21 -1.986 13.499 -6.519
119 HG22 THR 21 1HG2 THR 21 -3.326 13.757 -5.404
120 HG23 THR 21 2HG2 THR 21 -1.755 14.487 -5.077
121 H GLU 22 HN GLU 22 -0.639 16.619 -8.804
122 HA GLU 22 HA GLU 22 1.177 14.517 -8.614
123 HB2 GLU 22 1HB GLU 22 1.208 17.030 -10.280
124 HB3 GLU 22 2HB GLU 22 2.423 15.771 -10.447
125 HG2 GLU 22 1HG GLU 22 0.411 14.192 -10.780
126 HG3 GLU 22 2HG GLU 22 -0.492 15.673 -11.094
127 H PHE 23 HN PHE 23 1.314 17.712 -7.315
128 HA PHE 23 HA PHE 23 4.143 17.836 -6.961
129 HB2 PHE 23 1HB PHE 23 2.558 19.813 -7.015
130 HB3 PHE 23 2HB PHE 23 2.064 19.358 -5.388
131 HD1 PHE 23 HD2 PHE 23 5.140 20.105 -7.354
132 HD2 PHE 23 HD1 PHE 23 3.155 20.295 -3.594
133 HE1 PHE 23 HE2 PHE 23 7.023 21.390 -6.429
134 HE2 PHE 23 HE1 PHE 23 5.035 21.581 -2.662
135 HZ PHE 23 HZ PHE 23 6.972 22.129 -4.080
136 H ALA 24 HN ALA 24 1.502 17.459 -4.591
137 HA ALA 24 HA ALA 24 3.171 16.741 -2.444
138 HB1 ALA 24 1HB ALA 24 0.943 17.558 -2.045
139 HB2 ALA 24 2HB ALA 24 0.244 16.182 -2.900
140 HB3 ALA 24 3HB ALA 24 1.089 15.934 -1.372
141 H ALA 25 HN ALA 25 2.082 14.961 -5.158
142 HB1 ALA 25 1HB ALA 25 0.947 12.764 -6.088
143 HB2 ALA 25 2HB ALA 25 2.431 13.269 -6.898
144 HB3 ALA 25 3HB ALA 25 2.229 11.591 -6.391
145 H ALA 26 HN ALA 26 4.591 14.564 -4.689
146 HA ALA 26 HA ALA 26 6.682 12.983 -5.654
147 HB1 ALA 26 1HB ALA 26 7.183 15.222 -5.694
148 HB2 ALA 26 2HB ALA 26 6.537 15.508 -4.078
149 HB3 ALA 26 3HB ALA 26 8.095 14.705 -4.275
150 H SER 27 HN SER 27 5.319 13.275 -2.454
151 HA SER 27 HA SER 27 7.376 12.252 -0.897
152 HB2 SER 27 1HB SER 27 4.386 11.898 -0.586
153 HB3 SER 27 2HB SER 27 5.570 11.504 0.660
154 HG SER 27 HG SER 27 5.102 14.058 -0.487
155 H DTY 28 HN DTY 28 4.543 10.327 -1.879
156 HB2 DTY 28 1HB DTY 28 6.749 7.819 -0.715
157 HB3 DTY 28 2HB DTY 28 5.719 6.507 -1.277
158 HD1 DTY 28 HD1 DTY 28 5.940 9.408 0.966
159 HD2 DTY 28 HD2 DTY 28 3.549 6.123 -0.297
160 HE1 DTY 28 HE1 DTY 28 4.484 9.723 2.923
161 HE2 DTY 28 HE2 DTY 28 2.087 6.428 1.657
162 HH DTY 28 HH DTY 28 2.876 8.081 4.303
163 H PHE 29 HN PHE 29 6.111 9.973 -4.035
164 HA PHE 29 HA PHE 29 7.104 7.993 -5.858
165 HB2 PHE 29 1HB PHE 29 6.063 10.179 -6.547
166 HB3 PHE 29 2HB PHE 29 7.519 10.984 -5.973
167 HD1 PHE 29 HD2 PHE 29 6.774 7.988 -8.077
168 HD2 PHE 29 HD1 PHE 29 8.915 11.643 -7.657
169 HE1 PHE 29 HE2 PHE 29 7.836 7.614 -10.265
170 HE2 PHE 29 HE1 PHE 29 9.980 11.274 -9.845
171 HZ PHE 29 HZ PHE 29 9.442 9.257 -11.151
172 H LEU 30 HN LEU 30 8.429 9.901 -3.308
173 HA LEU 30 HA LEU 30 11.171 9.586 -4.184
174 HB2 LEU 30 1HB LEU 30 9.757 11.214 -2.305
175 HB3 LEU 30 2HB LEU 30 11.073 10.383 -1.478
176 HG LEU 30 HG LEU 30 11.662 12.651 -2.300
177 HD11 LEU 30 1HD1 LEU 30 13.283 10.629 -3.799
178 HD12 LEU 30 2HD1 LEU 30 13.265 10.652 -2.036
179 HD13 LEU 30 3HD1 LEU 30 13.819 12.067 -2.930
180 HD21 LEU 30 3HD2 LEU 30 11.933 13.071 -4.643
181 HD22 LEU 30 1HD2 LEU 30 10.278 12.528 -4.366
182 HD23 LEU 30 2HD2 LEU 30 11.469 11.417 -5.044
Start of MODEL 18
1 H1 GLY 1 HN GLY 1 4.495 1.478 -0.187
2 HA2 GLY 1 1HA GLY 1 5.157 -0.050 -2.496
3 HA3 GLY 1 2HA GLY 1 3.501 -0.361 -1.997
4 H TRP 2 HN TRP 2 5.102 1.253 -4.203
5 HA TRP 2 HA TRP 2 4.274 3.925 -4.025
6 HB2 TRP 2 1HB TRP 2 4.655 4.001 -6.470
7 HB3 TRP 2 2HB TRP 2 5.980 3.222 -5.609
8 HD1 TRP 2 HD1 TRP 2 3.065 2.411 -7.972
9 HE1 TRP 2 HE1 TRP 2 3.508 0.119 -9.056
10 HE3 TRP 2 HE3 TRP 2 7.199 1.034 -5.298
11 HZ2 TRP 2 HZ2 TRP 2 5.365 -1.993 -8.810
12 HZ3 TRP 2 HZ3 TRP 2 8.248 -1.138 -5.784
13 HH2 TRP 2 HH2 TRP 2 7.348 -2.619 -7.503
14 H VAL 3 HN VAL 3 2.559 1.047 -4.900
15 HA VAL 3 HA VAL 3 0.462 2.170 -6.399
16 HB VAL 3 HB VAL 3 -0.812 0.160 -5.857
17 HG11 VAL 3 1HG1 VAL 3 1.583 -1.313 -6.195
18 HG12 VAL 3 2HG1 VAL 3 0.415 -0.823 -7.424
19 HG13 VAL 3 3HG1 VAL 3 1.779 0.226 -7.033
20 HG21 VAL 3 3HG2 VAL 3 -0.572 -0.492 -3.707
21 HG22 VAL 3 1HG2 VAL 3 0.703 -1.506 -4.384
22 HG23 VAL 3 2HG2 VAL 3 1.110 0.031 -3.622
23 H ALA 4 HN ALA 4 1.056 2.002 -2.965
24 HA ALA 4 HA ALA 4 -1.618 2.746 -2.209
25 HB1 ALA 4 1HB ALA 4 -0.526 1.481 -0.587
26 HB2 ALA 4 2HB ALA 4 0.962 2.420 -0.719
27 HB3 ALA 4 3HB ALA 4 -0.459 3.124 0.053
28 H CYS 5 HN CYS 5 1.408 4.391 -2.836
29 HA CYS 5 HA CYS 5 0.715 6.881 -1.675
30 HB2 CYS 5 1HB CYS 5 3.040 6.055 -2.344
31 HB3 CYS 5 2HB CYS 5 2.611 6.512 -3.990
32 H VAL 6 HN VAL 6 0.569 5.673 -5.014
33 HA VAL 6 HA VAL 6 -0.408 7.998 -6.218
34 HB VAL 6 HB VAL 6 -1.289 6.503 -7.998
35 HG11 VAL 6 1HG1 VAL 6 1.315 5.280 -7.609
36 HG12 VAL 6 2HG1 VAL 6 0.770 6.410 -8.850
37 HG13 VAL 6 3HG1 VAL 6 1.333 7.014 -7.292
38 HG21 VAL 6 3HG2 VAL 6 -2.006 4.650 -6.575
39 HG22 VAL 6 1HG2 VAL 6 -0.905 4.095 -7.835
40 HG23 VAL 6 2HG2 VAL 6 -0.324 4.293 -6.182
41 H GLY 7 HN GLY 7 -2.047 5.473 -4.423
42 HA2 GLY 7 1HA GLY 7 -4.691 6.291 -5.185
43 HA3 GLY 7 2HA GLY 7 -4.277 5.161 -3.905
44 H ALA 8 HN ALA 8 -2.787 6.619 -2.193
45 HA ALA 8 HA ALA 8 -4.750 8.192 -0.868
46 HB1 ALA 8 1HB ALA 8 -3.160 6.920 0.417
47 HB2 ALA 8 2HB ALA 8 -1.815 7.813 -0.295
48 HB3 ALA 8 3HB ALA 8 -2.951 8.635 0.774
49 H CYS 9 HN CYS 9 -2.607 8.907 -3.355
50 HA CYS 9 HA CYS 9 -1.794 11.522 -2.744
51 HB2 CYS 9 1HB CYS 9 -1.902 9.814 -5.123
52 HB3 CYS 9 2HB CYS 9 -2.083 11.528 -5.484
53 H GLY 10 HN GLY 10 -4.869 10.264 -3.544
54 HA2 GLY 10 1HA GLY 10 -5.967 12.654 -4.689
55 HA3 GLY 10 2HA GLY 10 -6.871 11.251 -4.138
56 H THR 11 HN THR 11 -4.995 13.984 -2.837
57 HA THR 11 HA THR 11 -7.077 14.990 -1.260
58 HB THR 11 HB THR 11 -6.907 13.014 0.103
59 HG1 THR 11 HG1 THR 11 -7.021 15.178 1.127
60 HG21 THR 11 3HG2 THR 11 -4.998 11.908 0.409
61 HG22 THR 11 1HG2 THR 11 -4.273 13.307 1.200
62 HG23 THR 11 2HG2 THR 11 -4.170 13.133 -0.552
63 H VAL 12 HN VAL 12 -6.534 16.929 -0.308
64 HA VAL 12 HA VAL 12 -5.317 18.798 0.161
65 HB VAL 12 HB VAL 12 -2.801 17.154 0.028
66 HG11 VAL 12 1HG1 VAL 12 -1.926 19.115 0.616
67 HG12 VAL 12 2HG1 VAL 12 -3.520 19.822 0.890
68 HG13 VAL 12 3HG1 VAL 12 -2.727 18.910 2.174
69 HG21 VAL 12 3HG2 VAL 12 -3.340 17.009 2.619
70 HG22 VAL 12 1HG2 VAL 12 -4.999 17.065 2.023
71 HG23 VAL 12 2HG2 VAL 12 -3.911 15.788 1.481
72 H CYS 13 HN CYS 13 -5.512 17.430 -2.645
73 HA CYS 13 HA CYS 13 -3.347 18.224 -4.208
74 HB2 CYS 13 1HB CYS 13 -5.379 16.784 -4.849
75 HB3 CYS 13 2HB CYS 13 -6.193 18.307 -5.189
76 H LEU 14 HN LEU 14 -5.884 20.087 -2.782
77 HA LEU 14 HA LEU 14 -5.818 22.340 -4.471
78 HB2 LEU 14 1HB LEU 14 -7.650 22.164 -3.019
79 HB3 LEU 14 2HB LEU 14 -6.618 21.920 -1.611
80 HG LEU 14 HG LEU 14 -5.896 24.297 -1.811
81 HD11 LEU 14 1HD1 LEU 14 -7.354 25.785 -3.175
82 HD12 LEU 14 2HD1 LEU 14 -8.031 24.346 -3.935
83 HD13 LEU 14 3HD1 LEU 14 -6.319 24.720 -4.127
84 HD21 LEU 14 3HD2 LEU 14 -7.672 25.075 -0.580
85 HD22 LEU 14 1HD2 LEU 14 -7.923 23.333 -0.461
86 HD23 LEU 14 2HD2 LEU 14 -8.871 24.283 -1.605
87 H ALA 15 HN ALA 15 -3.692 21.233 -1.978
88 HA ALA 15 HA ALA 15 -2.465 23.601 -1.184
89 HB1 ALA 15 1HB ALA 15 -2.153 21.112 -0.406
90 HB2 ALA 15 2HB ALA 15 -0.807 21.155 -1.545
91 HB3 ALA 15 3HB ALA 15 -0.860 22.295 -0.201
92 H SER 16 HN SER 16 -2.262 21.882 -4.173
93 HA SER 16 HA SER 16 0.130 23.335 -5.008
94 HB2 SER 16 1HB SER 16 -0.196 20.875 -5.513
95 HB3 SER 16 2HB SER 16 -1.475 21.352 -6.630
96 HG SER 16 HG SER 16 1.247 22.152 -6.749
97 H GLY 17 HN GLY 17 -3.272 23.542 -5.214
98 HA2 GLY 17 1HA GLY 17 -4.105 25.744 -5.949
99 HA3 GLY 17 2HA GLY 17 -3.012 25.602 -7.317
100 H GLY 18 HN GLY 18 -4.619 22.727 -6.348
101 HA2 GLY 18 1HA GLY 18 -6.509 21.652 -7.167
102 HA3 GLY 18 2HA GLY 18 -6.918 23.112 -8.056
103 H VAL 19 HN VAL 19 -4.958 23.563 -9.751
104 HA VAL 19 HA VAL 19 -5.303 21.627 -11.760
105 HB VAL 19 HB VAL 19 -3.097 23.684 -11.643
106 HG11 VAL 19 1HG1 VAL 19 -3.607 23.599 -14.187
107 HG12 VAL 19 2HG1 VAL 19 -2.625 22.327 -13.458
108 HG13 VAL 19 3HG1 VAL 19 -4.328 22.035 -13.813
109 HG21 VAL 19 3HG2 VAL 19 -6.010 23.946 -12.261
110 HG22 VAL 19 1HG2 VAL 19 -4.964 25.007 -11.317
111 HG23 VAL 19 2HG2 VAL 19 -4.839 24.982 -13.077
112 H GLY 20 HN GLY 20 -3.137 21.764 -9.123
113 HA2 GLY 20 1HA GLY 20 -1.194 19.981 -10.385
114 HA3 GLY 20 2HA GLY 20 -1.046 20.721 -8.798
115 H THR 21 HN THR 21 -3.896 19.002 -9.910
116 HB THR 21 HB THR 21 -5.002 16.739 -10.494
117 HG1 THR 21 HG1 THR 21 -5.958 18.675 -9.818
118 HG21 THR 21 3HG2 THR 21 -6.869 15.664 -8.737
119 HG22 THR 21 1HG2 THR 21 -5.310 15.305 -7.994
120 HG23 THR 21 2HG2 THR 21 -5.644 14.775 -9.642
121 H GLU 22 HN GLU 22 -2.896 16.237 -10.725
122 HA GLU 22 HA GLU 22 -2.023 13.789 -9.660
123 HB2 GLU 22 1HB GLU 22 -0.704 13.567 -11.706
124 HB3 GLU 22 2HB GLU 22 -2.320 14.160 -12.063
125 HG2 GLU 22 1HG GLU 22 -1.556 16.312 -12.535
126 HG3 GLU 22 2HG GLU 22 -0.012 16.038 -11.731
127 H PHE 23 HN PHE 23 -0.758 16.937 -9.355
128 HA PHE 23 HA PHE 23 1.987 16.249 -8.987
129 HB2 PHE 23 1HB PHE 23 0.833 18.569 -9.504
130 HB3 PHE 23 2HB PHE 23 0.804 18.697 -7.748
131 HD1 PHE 23 HD2 PHE 23 3.066 18.150 -10.634
132 HD2 PHE 23 HD1 PHE 23 2.701 19.364 -6.571
133 HE1 PHE 23 HE2 PHE 23 5.403 18.918 -10.658
134 HE2 PHE 23 HE1 PHE 23 5.038 20.135 -6.588
135 HZ PHE 23 HZ PHE 23 6.393 19.911 -8.633
136 H ALA 24 HN ALA 24 -0.821 16.359 -6.941
137 HA ALA 24 HA ALA 24 0.397 16.509 -4.426
138 HB1 ALA 24 1HB ALA 24 -1.662 16.084 -3.564
139 HB2 ALA 24 2HB ALA 24 -2.141 16.484 -5.214
140 HB3 ALA 24 3HB ALA 24 -2.004 14.797 -4.720
141 H ALA 25 HN ALA 25 0.295 13.953 -6.727
142 HB1 ALA 25 1HB ALA 25 0.046 11.505 -7.405
143 HB2 ALA 25 2HB ALA 25 1.630 12.142 -7.851
144 HB3 ALA 25 3HB ALA 25 1.504 10.589 -7.024
145 H ALA 26 HN ALA 26 2.756 14.265 -5.826
146 HA ALA 26 HA ALA 26 5.240 13.003 -5.585
147 HB1 ALA 26 1HB ALA 26 5.997 15.323 -4.798
148 HB2 ALA 26 2HB ALA 26 5.288 15.186 -6.407
149 HB3 ALA 26 3HB ALA 26 4.324 15.811 -5.069
150 H SER 27 HN SER 27 2.876 13.829 -3.200
151 HA SER 27 HA SER 27 4.406 14.049 -0.899
152 HB2 SER 27 1HB SER 27 2.367 13.172 0.291
153 HB3 SER 27 2HB SER 27 2.048 14.509 -0.814
154 HG SER 27 HG SER 27 0.589 12.638 -0.936
155 H DTY 28 HN DTY 28 2.748 11.081 -1.988
156 HB2 DTY 28 1HB DTY 28 3.187 9.688 0.717
157 HB3 DTY 28 2HB DTY 28 4.944 9.615 0.645
158 HD1 DTY 28 HD1 DTY 28 6.063 7.586 0.988
159 HD2 DTY 28 HD2 DTY 28 1.883 7.554 0.198
160 HE1 DTY 28 HE1 DTY 28 5.989 5.184 1.511
161 HE2 DTY 28 HE2 DTY 28 1.797 5.151 0.718
162 HH DTY 28 HH DTY 28 3.337 3.221 0.763
163 H PHE 29 HN PHE 29 5.141 10.837 -3.086
164 HA PHE 29 HA PHE 29 7.168 8.888 -3.698
165 HB2 PHE 29 1HB PHE 29 6.371 11.555 -4.780
166 HB3 PHE 29 2HB PHE 29 7.987 10.956 -5.136
167 HD1 PHE 29 HD1 PHE 29 4.720 9.188 -4.883
168 HD2 PHE 29 HD2 PHE 29 8.007 10.305 -7.346
169 HE1 PHE 29 HE1 PHE 29 3.805 7.825 -6.716
170 HE2 PHE 29 HE2 PHE 29 7.097 8.944 -9.183
171 HZ PHE 29 HZ PHE 29 4.993 7.703 -8.870
172 H LEU 30 HN LEU 30 6.973 11.926 -1.953
173 HA LEU 30 HA LEU 30 8.417 12.992 -0.558
174 HB2 LEU 30 1HB LEU 30 8.544 10.456 0.180
175 HB3 LEU 30 2HB LEU 30 10.195 10.612 -0.417
176 HG LEU 30 HG LEU 30 9.201 12.628 1.537
177 HD11 LEU 30 1HD1 LEU 30 10.147 9.881 2.339
178 HD12 LEU 30 2HD1 LEU 30 8.479 10.444 2.440
179 HD13 LEU 30 3HD1 LEU 30 9.730 11.216 3.414
180 HD21 LEU 30 3HD2 LEU 30 11.779 11.482 0.619
181 HD22 LEU 30 1HD2 LEU 30 11.673 12.022 2.295
182 HD23 LEU 30 2HD2 LEU 30 11.343 13.153 0.982
Start of MODEL 19
1 H1 GLY 1 HN GLY 1 3.877 1.174 -0.821
2 HA2 GLY 1 1HA GLY 1 3.408 3.428 0.928
3 HA3 GLY 1 2HA GLY 1 5.011 3.401 0.208
4 H TRP 2 HN TRP 2 4.910 2.928 -2.267
5 HA TRP 2 HA TRP 2 3.765 5.114 -3.521
6 HB2 TRP 2 1HB TRP 2 4.376 4.101 -5.601
7 HB3 TRP 2 2HB TRP 2 5.602 3.644 -4.421
8 HD1 TRP 2 HD1 TRP 2 4.879 1.090 -3.183
9 HE1 TRP 2 HE1 TRP 2 4.273 -1.055 -4.470
10 HE3 TRP 2 HE3 TRP 2 3.551 3.176 -7.657
11 HZ2 TRP 2 HZ2 TRP 2 3.354 -1.768 -7.042
12 HZ3 TRP 2 HZ3 TRP 2 2.820 1.693 -9.480
13 HH2 TRP 2 HH2 TRP 2 2.725 -0.727 -9.177
14 H VAL 3 HN VAL 3 2.423 1.942 -2.905
15 HA VAL 3 HA VAL 3 0.221 2.081 -4.662
16 HB VAL 3 HB VAL 3 0.381 0.598 -2.034
17 HG11 VAL 3 1HG1 VAL 3 -1.451 0.418 -4.403
18 HG12 VAL 3 2HG1 VAL 3 -1.209 -0.951 -3.316
19 HG13 VAL 3 3HG1 VAL 3 -1.861 0.566 -2.695
20 HG21 VAL 3 3HG2 VAL 3 0.790 -1.219 -4.066
21 HG22 VAL 3 1HG2 VAL 3 1.722 0.186 -4.584
22 HG23 VAL 3 2HG2 VAL 3 2.034 -0.547 -3.010
23 H ALA 4 HN ALA 4 0.562 2.944 -1.234
24 HA ALA 4 HA ALA 4 -2.153 3.873 -1.036
25 HB1 ALA 4 1HB ALA 4 0.065 3.404 0.773
26 HB2 ALA 4 2HB ALA 4 -0.789 4.904 1.137
27 HB3 ALA 4 3HB ALA 4 -1.672 3.379 1.082
28 H CYS 5 HN CYS 5 0.820 5.199 -2.072
29 HA CYS 5 HA CYS 5 0.434 7.912 -1.403
30 HB2 CYS 5 1HB CYS 5 2.528 6.628 -2.357
31 HB3 CYS 5 2HB CYS 5 1.864 7.123 -3.911
32 H VAL 6 HN VAL 6 -0.917 5.897 -3.865
33 HA VAL 6 HA VAL 6 -1.639 7.794 -5.784
34 HB VAL 6 HB VAL 6 -1.833 5.320 -6.061
35 HG11 VAL 6 1HG1 VAL 6 -3.311 4.041 -4.936
36 HG12 VAL 6 2HG1 VAL 6 -3.229 5.346 -3.751
37 HG13 VAL 6 3HG1 VAL 6 -4.548 5.297 -4.921
38 HG21 VAL 6 3HG2 VAL 6 -3.513 5.469 -7.650
39 HG22 VAL 6 1HG2 VAL 6 -4.497 6.544 -6.656
40 HG23 VAL 6 2HG2 VAL 6 -3.041 7.156 -7.441
41 H GLY 7 HN GLY 7 -2.968 7.112 -2.649
42 HA2 GLY 7 1HA GLY 7 -5.513 8.328 -3.056
43 HA3 GLY 7 2HA GLY 7 -4.768 7.976 -1.504
44 H ALA 8 HN ALA 8 -2.707 9.484 -1.178
45 HA ALA 8 HA ALA 8 -3.735 12.106 -0.883
46 HB1 ALA 8 1HB ALA 8 -0.925 12.195 -0.633
47 HB2 ALA 8 2HB ALA 8 -2.134 12.135 0.651
48 HB3 ALA 8 3HB ALA 8 -1.456 10.640 0.008
49 H CYS 9 HN CYS 9 -1.955 10.535 -3.393
50 HA CYS 9 HA CYS 9 -0.696 12.712 -4.609
51 HB2 CYS 9 1HB CYS 9 -1.466 9.986 -5.384
52 HB3 CYS 9 2HB CYS 9 -1.389 11.116 -6.732
53 H GLY 10 HN GLY 10 -4.025 11.860 -4.437
54 HA2 GLY 10 1HA GLY 10 -4.644 13.992 -6.388
55 HA3 GLY 10 2HA GLY 10 -5.608 12.530 -6.251
56 H THR 11 HN THR 11 -5.913 12.244 -3.561
57 HA THR 11 HA THR 11 -8.006 14.008 -2.979
58 HB THR 11 HB THR 11 -7.985 13.065 -0.713
59 HG1 THR 11 HG1 THR 11 -6.279 12.001 0.053
60 HG21 THR 11 3HG2 THR 11 -8.916 11.789 -2.672
61 HG22 THR 11 1HG2 THR 11 -8.441 10.795 -1.295
62 HG23 THR 11 2HG2 THR 11 -7.401 10.888 -2.716
63 H VAL 12 HN VAL 12 -4.761 13.839 -1.503
64 HA VAL 12 HA VAL 12 -5.105 16.257 -0.030
65 HB VAL 12 HB VAL 12 -2.568 14.762 -0.706
66 HG11 VAL 12 1HG1 VAL 12 -1.818 16.861 -0.080
67 HG12 VAL 12 2HG1 VAL 12 -3.139 17.105 1.064
68 HG13 VAL 12 3HG1 VAL 12 -1.829 15.990 1.453
69 HG21 VAL 12 3HG2 VAL 12 -4.183 13.418 0.557
70 HG22 VAL 12 1HG2 VAL 12 -2.767 13.816 1.531
71 HG23 VAL 12 2HG2 VAL 12 -4.280 14.687 1.778
72 H CYS 13 HN CYS 13 -3.976 15.475 -3.215
73 HA CYS 13 HA CYS 13 -2.382 17.670 -3.809
74 HB2 CYS 13 1HB CYS 13 -2.669 15.722 -5.298
75 HB3 CYS 13 2HB CYS 13 -4.310 16.248 -5.658
76 H LEU 14 HN LEU 14 -5.898 17.351 -3.869
77 HA LEU 14 HA LEU 14 -6.464 19.842 -5.056
78 HB2 LEU 14 1HB LEU 14 -7.982 17.782 -4.563
79 HB3 LEU 14 2HB LEU 14 -8.273 18.597 -3.028
80 HG LEU 14 HG LEU 14 -8.696 20.113 -5.560
81 HD11 LEU 14 1HD1 LEU 14 -10.905 18.444 -4.437
82 HD12 LEU 14 2HD1 LEU 14 -9.797 17.764 -5.628
83 HD13 LEU 14 3HD1 LEU 14 -10.757 19.187 -6.030
84 HD21 LEU 14 3HD2 LEU 14 -10.702 20.373 -3.532
85 HD22 LEU 14 1HD2 LEU 14 -9.581 21.584 -4.156
86 HD23 LEU 14 2HD2 LEU 14 -9.100 20.546 -2.813
87 H ALA 15 HN ALA 15 -6.788 18.918 -1.622
88 HA ALA 15 HA ALA 15 -7.180 21.491 -0.628
89 HB1 ALA 15 1HB ALA 15 -7.683 19.608 0.745
90 HB2 ALA 15 2HB ALA 15 -6.010 19.049 0.691
91 HB3 ALA 15 3HB ALA 15 -6.417 20.533 1.553
92 H SER 16 HN SER 16 -4.283 19.899 -1.654
93 HA SER 16 HA SER 16 -2.610 21.980 -0.443
94 HB2 SER 16 1HB SER 16 -2.065 19.467 -0.281
95 HB3 SER 16 2HB SER 16 -1.594 19.593 -1.976
96 HG SER 16 HG SER 16 0.249 20.068 -0.989
97 H GLY 17 HN GLY 17 -4.418 22.252 -2.850
98 HA2 GLY 17 1HA GLY 17 -4.127 23.879 -4.554
99 HA3 GLY 17 2HA GLY 17 -2.405 23.525 -4.560
100 H GLY 18 HN GLY 18 -5.381 22.961 -6.069
101 HA2 GLY 18 1HA GLY 18 -4.846 20.417 -7.230
102 HA3 GLY 18 2HA GLY 18 -6.048 21.574 -7.779
103 H VAL 19 HN VAL 19 -3.468 23.433 -7.791
104 HA VAL 19 HA VAL 19 -3.140 23.427 -10.583
105 HB VAL 19 HB VAL 19 -1.125 24.876 -10.112
106 HG11 VAL 19 1HG1 VAL 19 -2.432 26.761 -9.442
107 HG12 VAL 19 2HG1 VAL 19 -3.457 25.716 -10.427
108 HG13 VAL 19 3HG1 VAL 19 -3.632 25.723 -8.672
109 HG21 VAL 19 3HG2 VAL 19 -0.616 25.540 -7.894
110 HG22 VAL 19 1HG2 VAL 19 -2.030 24.707 -7.247
111 HG23 VAL 19 2HG2 VAL 19 -0.673 23.777 -7.884
112 H GLY 20 HN GLY 20 -1.610 21.601 -8.080
113 HA2 GLY 20 1HA GLY 20 0.248 20.485 -10.089
114 HA3 GLY 20 2HA GLY 20 0.730 20.755 -8.421
115 H THR 21 HN THR 21 -2.320 19.435 -9.642
116 HB THR 21 HB THR 21 -4.055 16.262 -9.423
117 HG1 THR 21 HG1 THR 21 -2.973 18.204 -11.207
118 HG21 THR 21 3HG2 THR 21 -4.312 19.019 -8.592
119 HG22 THR 21 1HG2 THR 21 -5.539 17.756 -8.682
120 HG23 THR 21 2HG2 THR 21 -5.167 18.728 -10.106
121 H GLU 22 HN GLU 22 -1.434 16.839 -11.089
122 HA GLU 22 HA GLU 22 -0.566 14.229 -10.609
123 HB2 GLU 22 1HB GLU 22 -0.850 15.548 -12.838
124 HB3 GLU 22 2HB GLU 22 0.827 16.009 -12.581
125 HG2 GLU 22 1HG GLU 22 1.609 13.877 -12.901
126 HG3 GLU 22 2HG GLU 22 0.080 13.131 -12.440
127 H PHE 23 HN PHE 23 0.844 17.249 -9.760
128 HA PHE 23 HA PHE 23 3.541 16.345 -9.510
129 HB2 PHE 23 1HB PHE 23 2.614 18.775 -9.712
130 HB3 PHE 23 2HB PHE 23 2.432 18.666 -7.964
131 HD1 PHE 23 HD2 PHE 23 5.074 17.572 -10.364
132 HD2 PHE 23 HD1 PHE 23 4.087 19.824 -6.890
133 HE1 PHE 23 HE2 PHE 23 7.444 18.173 -10.084
134 HE2 PHE 23 HE1 PHE 23 6.455 20.429 -6.604
135 HZ PHE 23 HZ PHE 23 8.137 19.602 -8.202
136 H ALA 24 HN ALA 24 0.732 16.343 -7.455
137 HA ALA 24 HA ALA 24 1.988 15.997 -4.963
138 HB1 ALA 24 1HB ALA 24 -0.234 14.891 -4.349
139 HB2 ALA 24 2HB ALA 24 -0.280 16.568 -4.896
140 HB3 ALA 24 3HB ALA 24 -0.732 15.268 -5.999
141 H ALA 25 HN ALA 25 1.152 13.733 -7.513
142 HB1 ALA 25 1HB ALA 25 1.868 10.315 -8.324
143 HB2 ALA 25 2HB ALA 25 0.584 11.517 -8.465
144 HB3 ALA 25 3HB ALA 25 2.218 11.905 -9.003
145 H ALA 26 HN ALA 26 3.884 13.452 -7.435
146 HA ALA 26 HA ALA 26 6.072 11.700 -7.211
147 HB1 ALA 26 1HB ALA 26 7.464 13.665 -7.355
148 HB2 ALA 26 2HB ALA 26 6.105 13.826 -8.469
149 HB3 ALA 26 3HB ALA 26 6.099 14.703 -6.939
150 H SER 27 HN SER 27 4.581 13.916 -4.900
151 HA SER 27 HA SER 27 6.471 13.872 -2.880
152 HB2 SER 27 1HB SER 27 4.252 15.187 -3.035
153 HB3 SER 27 2HB SER 27 3.521 13.770 -2.281
154 HG SER 27 HG SER 27 4.227 15.422 -0.787
155 H DTY 28 HN DTY 28 3.579 11.788 -3.059
156 HB2 DTY 28 1HB DTY 28 5.132 10.509 -0.180
157 HB3 DTY 28 2HB DTY 28 4.126 9.066 -0.114
158 HD1 DTY 28 HD1 DTY 28 3.938 12.774 -0.376
159 HD2 DTY 28 HD2 DTY 28 1.959 9.181 0.754
160 HE1 DTY 28 HE1 DTY 28 2.121 14.096 0.622
161 HE2 DTY 28 HE2 DTY 28 0.137 10.494 1.757
162 HH DTY 28 HH DTY 28 -0.207 12.762 2.679
163 H PHE 29 HN PHE 29 5.466 10.224 -4.181
164 HA PHE 29 HA PHE 29 6.544 7.565 -4.205
165 HB2 PHE 29 1HB PHE 29 5.953 9.215 -6.193
166 HB3 PHE 29 2HB PHE 29 7.627 9.712 -5.974
167 HD1 PHE 29 HD2 PHE 29 9.355 7.732 -5.856
168 HD2 PHE 29 HD1 PHE 29 5.493 7.483 -7.627
169 HE1 PHE 29 HE2 PHE 29 10.101 5.813 -7.203
170 HE2 PHE 29 HE1 PHE 29 6.232 5.562 -8.976
171 HZ PHE 29 HZ PHE 29 8.539 4.726 -8.766
172 H LEU 30 HN LEU 30 7.828 10.811 -3.621
173 HA LEU 30 HA LEU 30 10.471 9.756 -3.046
174 HB2 LEU 30 1HB LEU 30 11.105 12.085 -2.716
175 HB3 LEU 30 2HB LEU 30 10.286 11.849 -4.258
176 HG LEU 30 HG LEU 30 8.181 12.644 -2.899
177 HD11 LEU 30 1HD1 LEU 30 8.913 12.892 -0.732
178 HD12 LEU 30 2HD1 LEU 30 9.092 14.534 -1.351
179 HD13 LEU 30 3HD1 LEU 30 10.502 13.482 -1.221
180 HD21 LEU 30 3HD2 LEU 30 9.258 13.747 -4.856
181 HD22 LEU 30 1HD2 LEU 30 10.305 14.613 -3.732
182 HD23 LEU 30 2HD2 LEU 30 8.561 14.872 -3.689
Start of MODEL 20
1 H1 GLY 1 HN GLY 1 0.658 -0.358 -0.997
2 HA2 GLY 1 1HA GLY 1 3.059 1.180 -0.258
3 HA3 GLY 1 2HA GLY 1 2.967 0.012 -1.568
4 H TRP 2 HN TRP 2 1.831 0.594 -3.498
5 HA TRP 2 HA TRP 2 2.252 3.334 -4.218
6 HB2 TRP 2 1HB TRP 2 1.214 0.916 -5.675
7 HB3 TRP 2 2HB TRP 2 1.146 2.516 -6.409
8 HD1 TRP 2 HD1 TRP 2 3.247 -0.385 -6.488
9 HE1 TRP 2 HE1 TRP 2 5.668 0.181 -7.152
10 HE3 TRP 2 HE3 TRP 2 3.127 4.674 -5.759
11 HZ2 TRP 2 HZ2 TRP 2 7.311 2.469 -7.341
12 HZ3 TRP 2 HZ3 TRP 2 5.166 5.978 -6.204
13 HH2 TRP 2 HH2 TRP 2 7.213 4.896 -6.978
14 H VAL 3 HN VAL 3 -0.465 1.413 -3.224
15 HA VAL 3 HA VAL 3 -2.541 3.046 -4.220
16 HB VAL 3 HB VAL 3 -3.995 1.924 -2.627
17 HG11 VAL 3 1HG1 VAL 3 -3.032 0.768 -4.709
18 HG12 VAL 3 2HG1 VAL 3 -2.062 -0.167 -3.569
19 HG13 VAL 3 3HG1 VAL 3 -3.823 -0.236 -3.494
20 HG21 VAL 3 3HG2 VAL 3 -1.444 1.425 -1.245
21 HG22 VAL 3 1HG2 VAL 3 -3.069 1.635 -0.592
22 HG23 VAL 3 2HG2 VAL 3 -2.579 0.075 -1.254
23 H ALA 4 HN ALA 4 -0.467 3.293 -1.443
24 HA ALA 4 HA ALA 4 -2.101 5.205 -0.049
25 HB1 ALA 4 1HB ALA 4 0.202 3.647 0.533
26 HB2 ALA 4 2HB ALA 4 0.586 5.341 0.844
27 HB3 ALA 4 3HB ALA 4 -0.799 4.590 1.637
28 H CYS 5 HN CYS 5 0.806 5.327 -2.071
29 HA CYS 5 HA CYS 5 1.239 8.113 -1.800
30 HB2 CYS 5 1HB CYS 5 2.341 5.911 -3.380
31 HB3 CYS 5 2HB CYS 5 2.324 7.442 -4.249
32 H VAL 6 HN VAL 6 -0.397 6.168 -4.278
33 HA VAL 6 HA VAL 6 -1.043 8.244 -6.036
34 HB VAL 6 HB VAL 6 -1.276 5.822 -6.557
35 HG11 VAL 6 1HG1 VAL 6 -3.765 6.038 -4.866
36 HG12 VAL 6 2HG1 VAL 6 -3.327 4.659 -5.876
37 HG13 VAL 6 3HG1 VAL 6 -2.327 5.091 -4.489
38 HG21 VAL 6 3HG2 VAL 6 -3.951 7.046 -7.043
39 HG22 VAL 6 1HG2 VAL 6 -2.515 7.832 -7.701
40 HG23 VAL 6 2HG2 VAL 6 -2.895 6.170 -8.150
41 H GLY 7 HN GLY 7 -2.449 7.304 -3.001
42 HA2 GLY 7 1HA GLY 7 -4.886 8.814 -3.416
43 HA3 GLY 7 2HA GLY 7 -4.410 7.981 -1.944
44 H ALA 8 HN ALA 8 -1.902 9.182 -1.545
45 HA ALA 8 HA ALA 8 -2.693 11.581 -0.248
46 HB1 ALA 8 1HB ALA 8 -0.012 11.726 -0.145
47 HB2 ALA 8 2HB ALA 8 -0.973 10.701 0.922
48 HB3 ALA 8 3HB ALA 8 -0.208 10.011 -0.510
49 H CYS 9 HN CYS 9 -1.200 10.864 -3.321
50 HA CYS 9 HA CYS 9 -0.278 13.510 -3.856
51 HB2 CYS 9 1HB CYS 9 -0.149 10.956 -5.120
52 HB3 CYS 9 2HB CYS 9 -0.781 12.112 -6.288
53 H GLY 10 HN GLY 10 -3.340 11.997 -3.966
54 HA2 GLY 10 1HA GLY 10 -4.407 14.072 -5.760
55 HA3 GLY 10 2HA GLY 10 -5.216 12.566 -5.352
56 H THR 11 HN THR 11 -5.036 12.559 -2.607
57 HA THR 11 HA THR 11 -7.209 14.119 -1.843
58 HB THR 11 HB THR 11 -6.348 13.672 0.545
59 HG1 THR 11 HG1 THR 11 -4.760 11.870 0.455
60 HG21 THR 11 3HG2 THR 11 -7.415 11.652 0.527
61 HG22 THR 11 1HG2 THR 11 -6.574 11.094 -0.918
62 HG23 THR 11 2HG2 THR 11 -7.910 12.237 -1.061
63 H VAL 12 HN VAL 12 -3.740 14.703 -1.386
64 HA VAL 12 HA VAL 12 -4.098 17.148 0.039
65 HB VAL 12 HB VAL 12 -1.664 16.108 -1.420
66 HG11 VAL 12 1HG1 VAL 12 -2.205 18.621 -0.090
67 HG12 VAL 12 2HG1 VAL 12 -0.857 17.761 0.658
68 HG13 VAL 12 3HG1 VAL 12 -0.818 18.137 -1.066
69 HG21 VAL 12 3HG2 VAL 12 -2.618 15.832 1.419
70 HG22 VAL 12 1HG2 VAL 12 -2.193 14.558 0.276
71 HG23 VAL 12 2HG2 VAL 12 -0.934 15.587 0.957
72 H CYS 13 HN CYS 13 -3.490 16.309 -3.337
73 HA CYS 13 HA CYS 13 -2.983 18.868 -4.332
74 HB2 CYS 13 1HB CYS 13 -2.717 16.668 -5.553
75 HB3 CYS 13 2HB CYS 13 -4.458 16.691 -5.817
76 H LEU 14 HN LEU 14 -6.070 17.095 -4.189
77 HA LEU 14 HA LEU 14 -7.651 19.194 -5.206
78 HB2 LEU 14 1HB LEU 14 -8.039 16.552 -4.291
79 HB3 LEU 14 2HB LEU 14 -9.148 17.578 -3.382
80 HG LEU 14 HG LEU 14 -10.187 16.601 -5.383
81 HD11 LEU 14 1HD1 LEU 14 -10.384 19.168 -4.470
82 HD12 LEU 14 2HD1 LEU 14 -11.459 18.419 -5.650
83 HD13 LEU 14 3HD1 LEU 14 -10.102 19.405 -6.195
84 HD21 LEU 14 3HD2 LEU 14 -9.361 16.771 -7.480
85 HD22 LEU 14 1HD2 LEU 14 -7.830 16.929 -6.618
86 HD23 LEU 14 2HD2 LEU 14 -8.668 18.369 -7.198
87 H ALA 15 HN ALA 15 -6.755 18.275 -1.915
88 HA ALA 15 HA ALA 15 -8.431 19.991 -0.498
89 HB1 ALA 15 1HB ALA 15 -6.676 19.864 1.292
90 HB2 ALA 15 2HB ALA 15 -7.238 18.308 0.681
91 HB3 ALA 15 3HB ALA 15 -5.683 18.952 0.155
92 H SER 16 HN SER 16 -5.584 20.658 -2.352
93 HA SER 16 HA SER 16 -5.334 23.343 -1.225
94 HB2 SER 16 1HB SER 16 -3.636 21.947 -3.307
95 HB3 SER 16 2HB SER 16 -3.283 23.505 -2.562
96 HG SER 16 HG SER 16 -2.756 22.530 -0.721
97 H GLY 17 HN GLY 17 -7.578 22.361 -2.995
98 HA2 GLY 17 1HA GLY 17 -8.920 23.829 -4.313
99 HA3 GLY 17 2HA GLY 17 -7.452 24.614 -4.876
100 H GLY 18 HN GLY 18 -5.913 22.766 -5.924
101 HA2 GLY 18 1HA GLY 18 -6.113 20.716 -7.309
102 HA3 GLY 18 2HA GLY 18 -7.625 21.387 -7.900
103 H VAL 19 HN VAL 19 -4.995 23.555 -7.387
104 HA VAL 19 HA VAL 19 -4.989 24.425 -10.075
105 HB VAL 19 HB VAL 19 -2.903 24.904 -7.941
106 HG11 VAL 19 1HG1 VAL 19 -3.004 27.092 -9.638
107 HG12 VAL 19 2HG1 VAL 19 -1.746 25.855 -9.591
108 HG13 VAL 19 3HG1 VAL 19 -3.093 25.703 -10.720
109 HG21 VAL 19 3HG2 VAL 19 -5.564 25.688 -7.966
110 HG22 VAL 19 1HG2 VAL 19 -4.269 26.389 -6.995
111 HG23 VAL 19 2HG2 VAL 19 -4.689 27.103 -8.552
112 H GLY 20 HN GLY 20 -2.653 22.488 -8.212
113 HA2 GLY 20 1HA GLY 20 -1.528 21.583 -10.792
114 HA3 GLY 20 2HA GLY 20 -0.525 21.893 -9.383
115 H THR 21 HN THR 21 -3.486 20.041 -10.115
116 HB THR 21 HB THR 21 -4.539 16.603 -9.672
117 HG1 THR 21 HG1 THR 21 -5.015 17.417 -11.798
118 HG21 THR 21 3HG2 THR 21 -6.267 18.567 -10.364
119 HG22 THR 21 1HG2 THR 21 -5.304 19.401 -9.146
120 HG23 THR 21 2HG2 THR 21 -6.136 17.900 -8.737
121 H GLU 22 HN GLU 22 -2.168 17.599 -11.506
122 HA GLU 22 HA GLU 22 -0.767 15.243 -10.960
123 HB2 GLU 22 1HB GLU 22 -1.340 15.843 -13.227
124 HB3 GLU 22 2HB GLU 22 -0.359 17.299 -13.135
125 HG2 GLU 22 1HG GLU 22 1.655 16.032 -13.076
126 HG3 GLU 22 2HG GLU 22 0.765 14.522 -12.891
127 H PHE 23 HN PHE 23 0.046 18.535 -10.367
128 HA PHE 23 HA PHE 23 2.879 18.198 -10.241
129 HB2 PHE 23 1HB PHE 23 1.410 20.376 -10.481
130 HB3 PHE 23 2HB PHE 23 1.474 20.356 -8.721
131 HD1 PHE 23 HD2 PHE 23 3.778 20.006 -11.636
132 HD2 PHE 23 HD1 PHE 23 3.164 21.525 -7.708
133 HE1 PHE 23 HE2 PHE 23 5.990 21.081 -11.710
134 HE2 PHE 23 HE1 PHE 23 5.375 22.603 -7.775
135 HZ PHE 23 HZ PHE 23 6.791 22.381 -9.778
136 H ALA 24 HN ALA 24 0.267 18.215 -7.855
137 HA ALA 24 HA ALA 24 1.849 18.050 -5.546
138 HB1 ALA 24 1HB ALA 24 -0.796 18.296 -5.997
139 HB2 ALA 24 2HB ALA 24 -0.718 16.608 -5.491
140 HB3 ALA 24 3HB ALA 24 -0.102 17.875 -4.431
141 H ALA 25 HN ALA 25 0.991 15.669 -7.913
142 HB1 ALA 25 1HB ALA 25 0.034 13.070 -8.045
143 HB2 ALA 25 2HB ALA 25 1.167 13.703 -9.240
144 HB3 ALA 25 3HB ALA 25 1.484 12.155 -8.456
145 H ALA 26 HN ALA 26 3.713 14.727 -5.747
146 HA ALA 26 HA ALA 26 5.860 14.689 -7.564
147 HB1 ALA 26 1HB ALA 26 6.217 16.097 -5.775
148 HB2 ALA 26 2HB ALA 26 5.642 14.918 -4.595
149 HB3 ALA 26 3HB ALA 26 7.226 14.715 -5.345
150 H SER 27 HN SER 27 5.659 12.664 -4.641
151 HA SER 27 HA SER 27 5.861 10.177 -5.871
152 HB2 SER 27 1HB SER 27 8.331 11.656 -5.919
153 HB3 SER 27 2HB SER 27 8.513 10.227 -4.901
154 HG SER 27 HG SER 27 8.825 9.314 -6.786
155 H DTY 28 HN DTY 28 4.697 9.311 -4.252
156 HB2 DTY 28 1HB DTY 28 4.208 10.976 -1.715
157 HB3 DTY 28 2HB DTY 28 5.759 10.667 -0.942
158 HD1 DTY 28 HD1 DTY 28 2.175 9.683 -0.870
159 HD2 DTY 28 HD2 DTY 28 5.853 9.871 1.261
160 HE1 DTY 28 HE1 DTY 28 1.007 9.023 1.192
161 HE2 DTY 28 HE2 DTY 28 4.696 9.213 3.329
162 HH DTY 28 HH DTY 28 1.240 9.065 3.534
163 H PHE 29 HN PHE 29 6.862 7.955 -3.567
164 HA PHE 29 HA PHE 29 7.906 6.241 -1.514
165 HB2 PHE 29 1HB PHE 29 7.805 5.707 -4.001
166 HB3 PHE 29 2HB PHE 29 9.167 6.805 -4.197
167 HD1 PHE 29 HD2 PHE 29 8.106 3.774 -2.324
168 HD2 PHE 29 HD1 PHE 29 11.330 6.020 -3.961
169 HE1 PHE 29 HE2 PHE 29 9.655 1.943 -1.777
170 HE2 PHE 29 HE1 PHE 29 12.884 4.191 -3.417
171 HZ PHE 29 HZ PHE 29 12.048 2.150 -2.323
172 H LEU 30 HN LEU 30 8.999 9.163 -3.182
173 HA LEU 30 HA LEU 30 10.745 9.777 -0.948
174 HB2 LEU 30 1HB LEU 30 11.754 9.329 -3.745
175 HB3 LEU 30 2HB LEU 30 12.644 10.268 -2.548
176 HG LEU 30 HG LEU 30 11.883 7.370 -2.208
177 HD11 LEU 30 1HD1 LEU 30 14.703 8.041 -2.571
178 HD12 LEU 30 2HD1 LEU 30 13.711 8.317 -4.003
179 HD13 LEU 30 3HD1 LEU 30 13.750 6.722 -3.252
180 HD21 LEU 30 3HD2 LEU 30 12.235 8.137 -0.071
181 HD22 LEU 30 1HD2 LEU 30 13.393 9.364 -0.585
182 HD23 LEU 30 2HD2 LEU 30 13.872 7.668 -0.530