NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9980 |
1p5k   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 -8.858 8.770 11.410
2 2H ALA 1 HT2 ALA 1 -9.633 9.368 10.000
3 3H ALA 1 HT3 ALA 1 -8.130 8.549 9.875
4 HA ALA 1 HA ALA 1 -9.302 6.611 10.916
5 1HB ALA 1 HB1 ALA 1 -11.662 8.246 9.995
6 2HB ALA 1 HB2 ALA 1 -11.282 7.790 11.656
7 3HB ALA 1 HB3 ALA 1 -11.724 6.552 10.481
8 H LYS 2 HN LYS 2 -9.499 8.666 8.104
9 HA LYS 2 HA LYS 2 -9.865 6.389 6.322
10 1HB LYS 2 HB2 LYS 2 -10.832 8.884 6.146
11 2HB LYS 2 HB1 LYS 2 -9.340 9.107 5.243
12 1HG LYS 2 HG2 LYS 2 -10.247 8.183 3.451
13 2HG LYS 2 HG1 LYS 2 -10.602 6.709 4.354
14 1HD LYS 2 HD2 LYS 2 -12.659 7.877 5.226
15 2HD LYS 2 HD1 LYS 2 -12.332 9.159 4.058
16 1HE LYS 2 HE2 LYS 2 -12.851 7.839 2.258
17 2HE LYS 2 HE1 LYS 2 -12.416 6.346 3.090
18 1HZ LYS 2 HZ1 LYS 2 -14.641 6.124 3.183
19 2HZ LYS 2 HZ2 LYS 2 -14.942 7.784 3.058
20 3HZ LYS 2 HZ3 LYS 2 -14.494 7.116 4.546
21 H LYS 3 HN LYS 3 -7.561 6.040 7.638
22 HA LYS 3 HA LYS 3 -5.482 6.791 5.674
23 1HB LYS 3 HB2 LYS 3 -3.888 6.383 7.646
24 2HB LYS 3 HB1 LYS 3 -4.840 7.860 7.664
25 1HG LYS 3 HG2 LYS 3 -4.870 6.965 9.859
26 2HG LYS 3 HG1 LYS 3 -6.468 6.695 9.162
27 1HD LYS 3 HD2 LYS 3 -6.243 4.454 9.201
28 2HD LYS 3 HD1 LYS 3 -4.546 4.517 8.720
29 1HE LYS 3 HE2 LYS 3 -3.802 4.761 10.896
30 2HE LYS 3 HE1 LYS 3 -5.347 5.396 11.461
31 1HZ LYS 3 HZ1 LYS 3 -6.173 3.342 11.787
32 2HZ LYS 3 HZ2 LYS 3 -4.542 2.907 11.901
33 3HZ LYS 3 HZ3 LYS 3 -5.381 2.671 10.451
34 H VAL 4 HN VAL 4 -7.375 4.361 6.029
35 HA VAL 4 HA VAL 4 -5.805 2.107 6.621
36 HB VAL 4 HB VAL 4 -8.240 1.943 6.300
37 1HG1 VAL 4 HG11 VAL 4 -8.116 3.569 4.280
38 2HG1 VAL 4 HG12 VAL 4 -9.338 2.298 4.296
39 3HG1 VAL 4 HG13 VAL 4 -7.872 2.099 3.337
40 1HG2 VAL 4 HG21 VAL 4 -6.416 0.076 5.654
41 2HG2 VAL 4 HG22 VAL 4 -7.281 0.199 4.122
42 3HG2 VAL 4 HG23 VAL 4 -8.156 -0.204 5.600
43 H PHE 5 HN PHE 5 -5.722 4.370 4.142
44 HA PHE 5 HA PHE 5 -4.806 3.263 1.876
45 1HB PHE 5 HB2 PHE 5 -5.083 5.719 2.500
46 2HB PHE 5 HB1 PHE 5 -3.465 5.619 3.179
47 HD1 PHE 5 HD1 PHE 5 -5.421 5.988 0.184
48 HD2 PHE 5 HD2 PHE 5 -1.539 5.077 1.671
49 HE1 PHE 5 HE1 PHE 5 -4.465 6.461 -2.033
50 HE2 PHE 5 HE2 PHE 5 -0.576 5.548 -0.544
51 HZ PHE 5 HZ PHE 5 -2.039 6.241 -2.399
52 H LYS 6 HN LYS 6 -3.136 3.494 4.888
53 HA LYS 6 HA LYS 6 -0.526 2.933 4.030
54 1HB LYS 6 HB2 LYS 6 -1.892 3.210 6.525
55 2HB LYS 6 HB1 LYS 6 -0.937 1.735 6.584
56 1HG LYS 6 HG2 LYS 6 1.030 2.841 6.554
57 2HG LYS 6 HG1 LYS 6 0.418 4.126 5.511
58 1HD LYS 6 HD2 LYS 6 -0.920 4.927 7.504
59 2HD LYS 6 HD1 LYS 6 0.027 3.800 8.478
60 1HE LYS 6 HE2 LYS 6 1.285 5.890 6.718
61 2HE LYS 6 HE1 LYS 6 0.850 6.198 8.398
62 1HZ LYS 6 HZ1 LYS 6 3.225 5.298 7.668
63 2HZ LYS 6 HZ2 LYS 6 2.441 3.815 7.884
64 3HZ LYS 6 HZ3 LYS 6 2.527 4.919 9.162
65 H ARG 7 HN ARG 7 -3.123 0.775 5.153
66 HA ARG 7 HA ARG 7 -1.671 -1.623 4.829
67 1HB ARG 7 HB2 ARG 7 -4.345 -0.865 5.523
68 2HB ARG 7 HB1 ARG 7 -4.419 -2.119 4.292
69 1HG ARG 7 HG2 ARG 7 -2.781 -3.415 5.752
70 2HG ARG 7 HG1 ARG 7 -3.173 -2.248 7.016
71 1HD ARG 7 HD2 ARG 7 -5.027 -3.368 7.500
72 2HD ARG 7 HD1 ARG 7 -5.602 -3.163 5.846
73 HE ARG 7 HE ARG 7 -4.987 -5.325 5.393
74 1HH1 ARG 7 HH11 ARG 7 -3.545 -4.338 8.415
75 2HH1 ARG 7 HH12 ARG 7 -2.993 -5.929 8.816
76 1HH2 ARG 7 HH21 ARG 7 -4.262 -7.420 5.919
77 2HH2 ARG 7 HH22 ARG 7 -3.400 -7.679 7.399
78 H LEU 8 HN LEU 8 -3.753 0.239 2.676
79 HA LEU 8 HA LEU 8 -3.693 -1.573 0.505
80 1HB LEU 8 HB2 LEU 8 -4.209 1.389 0.698
81 2HB LEU 8 HB1 LEU 8 -4.228 0.546 -0.840
82 HG LEU 8 HG LEU 8 -5.986 -0.287 1.457
83 1HD1 LEU 8 HD11 LEU 8 -7.571 1.238 0.953
84 2HD1 LEU 8 HD12 LEU 8 -7.146 1.276 -0.758
85 3HD1 LEU 8 HD13 LEU 8 -6.179 2.176 0.410
86 1HD2 LEU 8 HD21 LEU 8 -5.811 -0.906 -1.465
87 2HD2 LEU 8 HD22 LEU 8 -7.343 -1.066 -0.606
88 3HD2 LEU 8 HD23 LEU 8 -5.942 -2.007 -0.093
89 H GLU 9 HN GLU 9 -1.698 1.203 1.431
90 HA GLU 9 HA GLU 9 -0.041 1.200 -0.852
91 1HB GLU 9 HB2 GLU 9 -0.214 3.039 0.861
92 2HB GLU 9 HB1 GLU 9 0.742 2.038 1.945
93 1HG GLU 9 HG2 GLU 9 2.643 2.177 0.560
94 2HG GLU 9 HG1 GLU 9 1.710 2.843 -0.779
95 H LYS 10 HN LYS 10 -0.148 -0.788 1.995
96 HA LYS 10 HA LYS 10 2.508 -1.802 1.828
97 1HB LYS 10 HB2 LYS 10 0.511 -1.961 3.682
98 2HB LYS 10 HB1 LYS 10 0.449 -3.571 2.977
99 1HG LYS 10 HG2 LYS 10 1.950 -3.934 4.645
100 2HG LYS 10 HG1 LYS 10 3.056 -3.463 3.353
101 1HD LYS 10 HD2 LYS 10 2.378 -1.047 4.456
102 2HD LYS 10 HD1 LYS 10 2.411 -2.109 5.865
103 1HE LYS 10 HE2 LYS 10 4.610 -1.574 5.834
104 2HE LYS 10 HE1 LYS 10 4.671 -2.903 4.677
105 1HZ LYS 10 HZ1 LYS 10 4.573 -0.001 4.074
106 2HZ LYS 10 HZ2 LYS 10 4.382 -1.204 2.900
107 3HZ LYS 10 HZ3 LYS 10 5.839 -1.076 3.749
108 H SER 11 HN SER 11 -0.620 -2.820 0.553
109 HA SER 11 HA SER 11 0.304 -5.275 -0.548
110 1HB SER 11 HB2 SER 11 -2.103 -3.650 -1.400
111 2HB SER 11 HB1 SER 11 -1.836 -5.371 -1.676
112 HG SER 11 HG SER 11 -2.346 -4.037 0.762
113 H PHE 12 HN PHE 12 -0.020 -1.988 -1.778
114 HA PHE 12 HA PHE 12 0.748 -2.738 -4.458
115 1HB PHE 12 HB2 PHE 12 -0.714 -0.685 -3.530
116 2HB PHE 12 HB1 PHE 12 0.857 0.105 -3.607
117 HD1 PHE 12 HD1 PHE 12 1.947 0.506 -5.726
118 HD2 PHE 12 HD2 PHE 12 -1.844 -1.419 -5.538
119 HE1 PHE 12 HE1 PHE 12 1.643 0.878 -8.139
120 HE2 PHE 12 HE2 PHE 12 -2.154 -1.052 -7.951
121 HZ PHE 12 HZ PHE 12 -0.410 0.098 -9.255
122 H SER 13 HN SER 13 2.318 -1.703 -1.557
123 HA SER 13 HA SER 13 4.637 -0.530 -2.521
124 1HB SER 13 HB2 SER 13 3.764 -1.763 -0.032
125 2HB SER 13 HB1 SER 13 5.482 -2.028 -0.331
126 HG SER 13 HG SER 13 5.809 0.147 -0.389
127 H LYS 14 HN LYS 14 3.790 -3.937 -2.248
128 HA LYS 14 HA LYS 14 6.318 -5.036 -2.751
129 1HB LYS 14 HB2 LYS 14 4.402 -6.348 -1.938
130 2HB LYS 14 HB1 LYS 14 3.605 -6.147 -3.492
131 1HG LYS 14 HG2 LYS 14 4.732 -7.834 -4.397
132 2HG LYS 14 HG1 LYS 14 6.273 -7.242 -3.775
133 1HD LYS 14 HD2 LYS 14 5.104 -8.161 -1.501
134 2HD LYS 14 HD1 LYS 14 4.454 -9.285 -2.697
135 1HE LYS 14 HE2 LYS 14 7.337 -8.726 -2.913
136 2HE LYS 14 HE1 LYS 14 6.840 -9.588 -1.457
137 1HZ LYS 14 HZ1 LYS 14 6.059 -11.369 -2.677
138 2HZ LYS 14 HZ2 LYS 14 7.437 -10.924 -3.552
139 3HZ LYS 14 HZ3 LYS 14 5.903 -10.476 -4.107
140 H ILE 15 HN ILE 15 3.836 -3.811 -4.916
141 HA ILE 15 HA ILE 15 4.981 -4.800 -7.319
142 HB ILE 15 HB ILE 15 3.204 -2.382 -7.017
143 1HG1 ILE 15 HG12 ILE 15 2.380 -4.551 -5.924
144 2HG1 ILE 15 HG11 ILE 15 1.309 -3.784 -7.086
145 1HG2 ILE 15 HG21 ILE 15 4.239 -2.587 -9.204
146 2HG2 ILE 15 HG22 ILE 15 2.512 -2.927 -9.306
147 3HG2 ILE 15 HG23 ILE 15 3.674 -4.253 -9.335
148 1HD1 ILE 15 HD11 ILE 15 1.314 -6.163 -7.421
149 2HD1 ILE 15 HD12 ILE 15 3.071 -6.173 -7.571
150 3HD1 ILE 15 HD13 ILE 15 2.085 -5.378 -8.799
151 H GLN 16 HN GLN 16 5.446 -1.899 -5.411
152 HA GLN 16 HA GLN 16 6.799 -0.344 -7.321
153 1HB GLN 16 HB2 GLN 16 5.890 0.434 -5.096
154 2HB GLN 16 HB1 GLN 16 7.293 -0.310 -4.343
155 1HG GLN 16 HG2 GLN 16 8.147 1.378 -6.485
156 2HG GLN 16 HG1 GLN 16 7.064 2.273 -5.421
157 1HE2 GLN 16 HE21 GLN 16 10.196 1.527 -5.963
158 2HE2 GLN 16 HE22 GLN 16 10.836 1.742 -4.373
159 H ASN 17 HN ASN 17 7.860 -2.931 -5.224
160 HA ASN 17 HA ASN 17 10.657 -2.480 -5.600
161 1HB ASN 17 HB2 ASN 17 9.485 -3.771 -3.693
162 2HB ASN 17 HB1 ASN 17 9.446 -5.123 -4.821
163 1HD2 ASN 17 HD21 ASN 17 10.891 -6.479 -3.974
164 2HD2 ASN 17 HD22 ASN 17 12.549 -6.099 -3.670
165 H ASP 18 HN ASP 18 8.258 -4.642 -7.051
166 HA ASP 18 HA ASP 18 10.258 -5.641 -8.932
167 1HB ASP 18 HB2 ASP 18 8.402 -7.172 -9.661
168 2HB ASP 18 HB1 ASP 18 8.877 -7.353 -7.975
169 H LYS 19 HN LYS 19 9.722 -2.964 -9.277
170 HA LYS 19 HA LYS 19 7.697 -2.542 -11.259
171 1HB LYS 19 HB2 LYS 19 9.010 -0.889 -9.569
172 2HB LYS 19 HB1 LYS 19 9.924 -0.606 -11.044
173 1HG LYS 19 HG2 LYS 19 6.928 -0.410 -10.906
174 2HG LYS 19 HG1 LYS 19 8.007 0.959 -10.627
175 1HD LYS 19 HD2 LYS 19 9.020 0.141 -12.941
176 2HD LYS 19 HD1 LYS 19 7.387 -0.498 -13.141
177 1HE LYS 19 HE2 LYS 19 7.564 2.272 -12.154
178 2HE LYS 19 HE1 LYS 19 8.125 2.015 -13.806
179 1HZ LYS 19 HZ1 LYS 19 5.434 1.685 -12.684
180 2HZ LYS 19 HZ2 LYS 19 5.890 0.713 -13.992
181 3HZ LYS 19 HZ3 LYS 19 5.913 2.398 -14.142
182 1HN NH2 20 NH1 NH2 20 11.218 -2.832 -11.305
183 2HN NH2 20 NH2 NH2 20 11.362 -3.083 -13.008
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 -10.433 3.539 8.185
2 2H ALA 1 HT2 ALA 1 -11.631 4.407 7.315
3 3H ALA 1 HT3 ALA 1 -11.935 3.902 8.927
4 HA ALA 1 HA ALA 1 -11.458 6.070 9.204
5 1HB ALA 1 HB1 ALA 1 -8.708 4.861 9.369
6 2HB ALA 1 HB2 ALA 1 -9.990 4.501 10.525
7 3HB ALA 1 HB3 ALA 1 -9.393 6.152 10.357
8 H LYS 2 HN LYS 2 -9.273 7.618 8.931
9 HA LYS 2 HA LYS 2 -9.218 8.099 6.043
10 1HB LYS 2 HB2 LYS 2 -9.789 9.829 7.997
11 2HB LYS 2 HB1 LYS 2 -8.044 10.045 7.963
12 1HG LYS 2 HG2 LYS 2 -8.541 11.601 6.423
13 2HG LYS 2 HG1 LYS 2 -8.583 10.213 5.334
14 1HD LYS 2 HD2 LYS 2 -10.824 10.314 5.084
15 2HD LYS 2 HD1 LYS 2 -11.093 10.770 6.768
16 1HE LYS 2 HE2 LYS 2 -10.917 13.001 6.337
17 2HE LYS 2 HE1 LYS 2 -9.793 12.764 4.999
18 1HZ LYS 2 HZ1 LYS 2 -11.984 11.652 3.995
19 2HZ LYS 2 HZ2 LYS 2 -11.604 13.288 3.795
20 3HZ LYS 2 HZ3 LYS 2 -12.698 12.816 4.995
21 H LYS 3 HN LYS 3 -7.574 6.041 7.373
22 HA LYS 3 HA LYS 3 -5.000 6.892 6.276
23 1HB LYS 3 HB2 LYS 3 -5.181 7.256 8.862
24 2HB LYS 3 HB1 LYS 3 -5.004 5.508 8.942
25 1HG LYS 3 HG2 LYS 3 -2.963 6.113 7.294
26 2HG LYS 3 HG1 LYS 3 -3.033 7.585 8.265
27 1HD LYS 3 HD2 LYS 3 -3.150 4.962 9.666
28 2HD LYS 3 HD1 LYS 3 -1.598 5.495 9.017
29 1HE LYS 3 HE2 LYS 3 -2.436 7.758 10.240
30 2HE LYS 3 HE1 LYS 3 -3.168 6.536 11.280
31 1HZ LYS 3 HZ1 LYS 3 -1.162 6.611 12.263
32 2HZ LYS 3 HZ2 LYS 3 -0.369 7.205 10.893
33 3HZ LYS 3 HZ3 LYS 3 -0.712 5.554 11.021
34 H VAL 4 HN VAL 4 -7.290 4.858 5.810
35 HA VAL 4 HA VAL 4 -6.265 2.267 6.136
36 HB VAL 4 HB VAL 4 -7.853 3.187 3.736
37 1HG1 VAL 4 HG11 VAL 4 -6.911 0.902 3.674
38 2HG1 VAL 4 HG12 VAL 4 -8.674 0.919 3.679
39 3HG1 VAL 4 HG13 VAL 4 -7.792 0.527 5.155
40 1HG2 VAL 4 HG21 VAL 4 -9.743 2.215 5.382
41 2HG2 VAL 4 HG22 VAL 4 -9.328 3.926 5.282
42 3HG2 VAL 4 HG23 VAL 4 -8.648 2.927 6.567
43 H PHE 5 HN PHE 5 -5.337 4.881 4.229
44 HA PHE 5 HA PHE 5 -4.133 4.011 1.987
45 1HB PHE 5 HB2 PHE 5 -4.201 6.346 3.045
46 2HB PHE 5 HB1 PHE 5 -2.757 5.857 3.920
47 HD1 PHE 5 HD1 PHE 5 -4.139 6.751 0.659
48 HD2 PHE 5 HD2 PHE 5 -0.641 5.570 2.776
49 HE1 PHE 5 HE1 PHE 5 -2.755 7.425 -1.260
50 HE2 PHE 5 HE2 PHE 5 0.750 6.243 0.861
51 HZ PHE 5 HZ PHE 5 -0.307 7.172 -1.160
52 H LYS 6 HN LYS 6 -3.115 3.493 5.245
53 HA LYS 6 HA LYS 6 -0.484 2.642 4.823
54 1HB LYS 6 HB2 LYS 6 -1.447 3.144 7.053
55 2HB LYS 6 HB1 LYS 6 -2.419 1.682 6.943
56 1HG LYS 6 HG2 LYS 6 -0.661 0.963 8.223
57 2HG LYS 6 HG1 LYS 6 -0.114 0.512 6.607
58 1HD LYS 6 HD2 LYS 6 0.605 3.229 7.508
59 2HD LYS 6 HD1 LYS 6 1.388 1.898 8.363
60 1HE LYS 6 HE2 LYS 6 1.429 2.453 5.402
61 2HE LYS 6 HE1 LYS 6 2.784 2.538 6.526
62 1HZ LYS 6 HZ1 LYS 6 3.139 0.490 5.656
63 2HZ LYS 6 HZ2 LYS 6 1.505 0.200 5.330
64 3HZ LYS 6 HZ3 LYS 6 2.094 0.038 6.908
65 H ARG 7 HN ARG 7 -3.525 0.800 4.923
66 HA ARG 7 HA ARG 7 -2.358 -1.725 4.452
67 1HB ARG 7 HB2 ARG 7 -5.117 -0.605 4.028
68 2HB ARG 7 HB1 ARG 7 -4.716 -2.231 3.494
69 1HG ARG 7 HG2 ARG 7 -3.817 -1.927 6.173
70 2HG ARG 7 HG1 ARG 7 -5.485 -1.359 6.072
71 1HD ARG 7 HD2 ARG 7 -6.295 -3.422 5.686
72 2HD ARG 7 HD1 ARG 7 -4.949 -3.862 4.636
73 HE ARG 7 HE ARG 7 -3.824 -3.864 7.088
74 1HH1 ARG 7 HH11 ARG 7 -6.696 -5.370 5.798
75 2HH1 ARG 7 HH12 ARG 7 -6.620 -6.725 6.874
76 1HH2 ARG 7 HH21 ARG 7 -3.723 -5.645 8.504
77 2HH2 ARG 7 HH22 ARG 7 -4.932 -6.881 8.410
78 H LEU 8 HN LEU 8 -3.626 0.769 2.296
79 HA LEU 8 HA LEU 8 -3.246 -0.668 -0.110
80 1HB LEU 8 HB2 LEU 8 -4.228 1.864 0.638
81 2HB LEU 8 HB1 LEU 8 -2.893 2.178 -0.455
82 HG LEU 8 HG LEU 8 -4.277 0.210 -1.784
83 1HD1 LEU 8 HD11 LEU 8 -6.573 0.577 -1.664
84 2HD1 LEU 8 HD12 LEU 8 -6.381 2.098 -0.791
85 3HD1 LEU 8 HD13 LEU 8 -6.061 0.567 0.024
86 1HD2 LEU 8 HD21 LEU 8 -4.724 3.178 -2.061
87 2HD2 LEU 8 HD22 LEU 8 -4.907 1.949 -3.312
88 3HD2 LEU 8 HD23 LEU 8 -3.308 2.320 -2.669
89 H GLU 9 HN GLU 9 -1.225 1.541 1.770
90 HA GLU 9 HA GLU 9 0.921 1.698 -0.046
91 1HB GLU 9 HB2 GLU 9 0.336 2.760 2.451
92 2HB GLU 9 HB1 GLU 9 1.732 1.737 2.759
93 1HG GLU 9 HG2 GLU 9 1.741 3.675 0.484
94 2HG GLU 9 HG1 GLU 9 2.091 4.208 2.127
95 H LYS 10 HN LYS 10 -0.086 -0.751 2.216
96 HA LYS 10 HA LYS 10 2.381 -2.161 2.347
97 1HB LYS 10 HB2 LYS 10 0.039 -2.331 3.704
98 2HB LYS 10 HB1 LYS 10 -0.130 -3.702 2.617
99 1HG LYS 10 HG2 LYS 10 2.067 -4.536 3.412
100 2HG LYS 10 HG1 LYS 10 2.095 -3.218 4.585
101 1HD LYS 10 HD2 LYS 10 0.074 -4.057 5.625
102 2HD LYS 10 HD1 LYS 10 -0.059 -5.324 4.403
103 1HE LYS 10 HE2 LYS 10 1.562 -6.592 5.348
104 2HE LYS 10 HE1 LYS 10 2.494 -5.194 5.881
105 1HZ LYS 10 HZ1 LYS 10 1.618 -6.359 7.773
106 2HZ LYS 10 HZ2 LYS 10 0.042 -6.267 7.166
107 3HZ LYS 10 HZ3 LYS 10 0.844 -4.859 7.650
108 H SER 11 HN SER 11 -0.555 -2.546 0.390
109 HA SER 11 HA SER 11 0.438 -4.755 -1.105
110 1HB SER 11 HB2 SER 11 -1.525 -4.517 -2.457
111 2HB SER 11 HB1 SER 11 -1.999 -4.147 -0.799
112 HG SER 11 HG SER 11 -2.425 -2.165 -1.370
113 H PHE 12 HN PHE 12 0.581 -1.280 -1.462
114 HA PHE 12 HA PHE 12 1.456 -1.294 -4.181
115 1HB PHE 12 HB2 PHE 12 0.575 0.637 -2.392
116 2HB PHE 12 HB1 PHE 12 2.271 1.040 -2.632
117 HD1 PHE 12 HD1 PHE 12 -0.986 1.454 -3.868
118 HD2 PHE 12 HD2 PHE 12 3.060 1.078 -5.132
119 HE1 PHE 12 HE1 PHE 12 -1.554 2.545 -5.999
120 HE2 PHE 12 HE2 PHE 12 2.500 2.169 -7.264
121 HZ PHE 12 HZ PHE 12 0.190 2.905 -7.700
122 H SER 13 HN SER 13 3.068 -1.209 -1.045
123 HA SER 13 HA SER 13 5.662 -0.638 -1.883
124 1HB SER 13 HB2 SER 13 6.395 -1.739 0.204
125 2HB SER 13 HB1 SER 13 5.018 -0.673 0.481
126 HG SER 13 HG SER 13 5.106 -3.487 0.430
127 H LYS 14 HN LYS 14 3.934 -3.713 -1.760
128 HA LYS 14 HA LYS 14 6.126 -5.370 -2.397
129 1HB LYS 14 HB2 LYS 14 3.960 -6.176 -1.471
130 2HB LYS 14 HB1 LYS 14 3.205 -5.839 -3.023
131 1HG LYS 14 HG2 LYS 14 5.594 -7.581 -3.048
132 2HG LYS 14 HG1 LYS 14 4.117 -8.245 -2.347
133 1HD LYS 14 HD2 LYS 14 3.687 -6.841 -4.875
134 2HD LYS 14 HD1 LYS 14 4.756 -8.238 -5.016
135 1HE LYS 14 HE2 LYS 14 2.066 -8.323 -3.664
136 2HE LYS 14 HE1 LYS 14 2.313 -8.713 -5.365
137 1HZ LYS 14 HZ1 LYS 14 3.997 -10.083 -3.410
138 2HZ LYS 14 HZ2 LYS 14 3.350 -10.651 -4.865
139 3HZ LYS 14 HZ3 LYS 14 2.371 -10.546 -3.490
140 H ILE 15 HN ILE 15 3.797 -3.617 -4.376
141 HA ILE 15 HA ILE 15 4.670 -4.737 -6.856
142 HB ILE 15 HB ILE 15 3.184 -2.146 -6.453
143 1HG1 ILE 15 HG12 ILE 15 2.197 -4.219 -5.296
144 2HG1 ILE 15 HG11 ILE 15 1.147 -3.319 -6.379
145 1HG2 ILE 15 HG21 ILE 15 4.045 -2.452 -8.694
146 2HG2 ILE 15 HG22 ILE 15 2.290 -2.633 -8.693
147 3HG2 ILE 15 HG23 ILE 15 3.324 -4.060 -8.778
148 1HD1 ILE 15 HD11 ILE 15 1.326 -4.962 -8.064
149 2HD1 ILE 15 HD12 ILE 15 1.039 -5.822 -6.551
150 3HD1 ILE 15 HD13 ILE 15 2.663 -5.763 -7.238
151 H GLN 16 HN GLN 16 5.621 -2.022 -4.888
152 HA GLN 16 HA GLN 16 6.928 -0.445 -6.781
153 1HB GLN 16 HB2 GLN 16 6.454 0.028 -4.295
154 2HB GLN 16 HB1 GLN 16 7.958 -0.827 -3.980
155 1HG GLN 16 HG2 GLN 16 8.914 0.848 -5.755
156 2HG GLN 16 HG1 GLN 16 7.507 1.803 -5.291
157 1HE2 GLN 16 HE21 GLN 16 10.569 1.859 -4.830
158 2HE2 GLN 16 HE22 GLN 16 10.697 2.236 -3.149
159 H ASN 17 HN ASN 17 7.910 -3.405 -5.212
160 HA ASN 17 HA ASN 17 10.667 -3.236 -5.931
161 1HB ASN 17 HB2 ASN 17 8.980 -5.032 -4.453
162 2HB ASN 17 HB1 ASN 17 9.954 -5.954 -5.594
163 1HD2 ASN 17 HD21 ASN 17 11.036 -6.864 -3.791
164 2HD2 ASN 17 HD22 ASN 17 12.275 -5.984 -2.970
165 H ASP 18 HN ASP 18 7.848 -4.895 -7.298
166 HA ASP 18 HA ASP 18 9.442 -5.756 -9.590
167 1HB ASP 18 HB2 ASP 18 7.317 -6.958 -10.236
168 2HB ASP 18 HB1 ASP 18 8.031 -7.473 -8.711
169 H LYS 19 HN LYS 19 9.614 -4.434 -11.265
170 HA LYS 19 HA LYS 19 8.055 -2.125 -11.644
171 1HB LYS 19 HB2 LYS 19 10.400 -2.674 -12.551
172 2HB LYS 19 HB1 LYS 19 9.561 -3.504 -13.854
173 1HG LYS 19 HG2 LYS 19 8.283 -1.128 -13.889
174 2HG LYS 19 HG1 LYS 19 9.884 -0.630 -13.337
175 1HD LYS 19 HD2 LYS 19 10.775 -2.043 -15.288
176 2HD LYS 19 HD1 LYS 19 9.118 -2.006 -15.893
177 1HE LYS 19 HE2 LYS 19 9.201 0.480 -15.777
178 2HE LYS 19 HE1 LYS 19 10.906 0.358 -15.343
179 1HZ LYS 19 HZ1 LYS 19 11.493 -0.191 -17.436
180 2HZ LYS 19 HZ2 LYS 19 10.068 0.629 -17.836
181 3HZ LYS 19 HZ3 LYS 19 10.074 -1.060 -17.745
182 1HN NH2 20 NH1 NH2 20 6.069 -1.922 -12.378
183 2HN NH2 20 NH2 NH2 20 5.239 -3.020 -13.422
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 -12.304 6.039 10.265
2 2H ALA 1 HT2 ALA 1 -11.571 4.999 9.112
3 3H ALA 1 HT3 ALA 1 -12.890 5.998 8.655
4 HA ALA 1 HA ALA 1 -11.641 7.928 8.888
5 1HB ALA 1 HB1 ALA 1 -10.408 7.328 10.885
6 2HB ALA 1 HB2 ALA 1 -9.296 7.865 9.627
7 3HB ALA 1 HB3 ALA 1 -9.467 6.145 9.978
8 H LYS 2 HN LYS 2 -9.737 8.590 7.482
9 HA LYS 2 HA LYS 2 -9.714 6.850 5.124
10 1HB LYS 2 HB2 LYS 2 -10.354 9.425 5.211
11 2HB LYS 2 HB1 LYS 2 -8.612 9.620 5.062
12 1HG LYS 2 HG2 LYS 2 -9.133 7.788 3.113
13 2HG LYS 2 HG1 LYS 2 -10.591 8.781 3.081
14 1HD LYS 2 HD2 LYS 2 -7.871 10.042 3.112
15 2HD LYS 2 HD1 LYS 2 -8.584 9.466 1.604
16 1HE LYS 2 HE2 LYS 2 -9.397 11.579 1.548
17 2HE LYS 2 HE1 LYS 2 -10.659 10.859 2.546
18 1HZ LYS 2 HZ1 LYS 2 -8.268 12.281 3.587
19 2HZ LYS 2 HZ2 LYS 2 -9.533 11.647 4.513
20 3HZ LYS 2 HZ3 LYS 2 -9.820 12.946 3.468
21 H LYS 3 HN LYS 3 -8.050 6.239 7.386
22 HA LYS 3 HA LYS 3 -5.359 6.855 6.351
23 1HB LYS 3 HB2 LYS 3 -4.654 5.892 8.631
24 2HB LYS 3 HB1 LYS 3 -5.426 7.472 8.616
25 1HG LYS 3 HG2 LYS 3 -7.389 6.670 9.538
26 2HG LYS 3 HG1 LYS 3 -7.060 5.008 9.043
27 1HD LYS 3 HD2 LYS 3 -5.303 4.825 10.695
28 2HD LYS 3 HD1 LYS 3 -5.502 6.522 11.137
29 1HE LYS 3 HE2 LYS 3 -7.330 6.115 12.391
30 2HE LYS 3 HE1 LYS 3 -7.946 4.893 11.279
31 1HZ LYS 3 HZ1 LYS 3 -5.821 4.528 13.319
32 2HZ LYS 3 HZ2 LYS 3 -6.249 3.359 12.173
33 3HZ LYS 3 HZ3 LYS 3 -7.373 3.854 13.336
34 H VAL 4 HN VAL 4 -7.516 4.605 5.705
35 HA VAL 4 HA VAL 4 -6.296 2.138 6.255
36 HB VAL 4 HB VAL 4 -8.557 2.285 5.290
37 1HG1 VAL 4 HG11 VAL 4 -8.815 2.741 2.868
38 2HG1 VAL 4 HG12 VAL 4 -7.122 3.232 2.813
39 3HG1 VAL 4 HG13 VAL 4 -8.273 4.145 3.789
40 1HG2 VAL 4 HG21 VAL 4 -6.582 0.766 3.590
41 2HG2 VAL 4 HG22 VAL 4 -8.326 0.499 3.593
42 3HG2 VAL 4 HG23 VAL 4 -7.384 0.190 5.051
43 H PHE 5 HN PHE 5 -5.410 4.744 4.330
44 HA PHE 5 HA PHE 5 -3.981 3.925 2.216
45 1HB PHE 5 HB2 PHE 5 -4.275 6.264 3.212
46 2HB PHE 5 HB1 PHE 5 -2.880 5.884 4.212
47 HD1 PHE 5 HD1 PHE 5 -3.662 5.301 0.608
48 HD2 PHE 5 HD2 PHE 5 -1.042 7.044 3.472
49 HE1 PHE 5 HE1 PHE 5 -2.168 6.026 -1.207
50 HE2 PHE 5 HE2 PHE 5 0.458 7.773 1.662
51 HZ PHE 5 HZ PHE 5 -0.105 7.264 -0.681
52 H LYS 6 HN LYS 6 -3.172 3.483 5.543
53 HA LYS 6 HA LYS 6 -0.462 2.792 5.263
54 1HB LYS 6 HB2 LYS 6 -1.973 3.222 7.402
55 2HB LYS 6 HB1 LYS 6 -2.131 1.471 7.359
56 1HG LYS 6 HG2 LYS 6 0.606 2.037 7.032
57 2HG LYS 6 HG1 LYS 6 0.024 3.068 8.341
58 1HD LYS 6 HD2 LYS 6 -0.930 0.289 8.431
59 2HD LYS 6 HD1 LYS 6 0.811 0.485 8.644
60 1HE LYS 6 HE2 LYS 6 -0.532 0.521 10.763
61 2HE LYS 6 HE1 LYS 6 0.503 1.925 10.509
62 1HZ LYS 6 HZ1 LYS 6 -2.397 1.847 9.878
63 2HZ LYS 6 HZ2 LYS 6 -1.382 3.198 9.804
64 3HZ LYS 6 HZ3 LYS 6 -1.744 2.495 11.299
65 H ARG 7 HN ARG 7 -3.384 0.759 5.414
66 HA ARG 7 HA ARG 7 -2.026 -1.683 4.983
67 1HB ARG 7 HB2 ARG 7 -4.831 -0.757 4.950
68 2HB ARG 7 HB1 ARG 7 -4.496 -2.160 3.945
69 1HG ARG 7 HG2 ARG 7 -5.255 -2.761 6.203
70 2HG ARG 7 HG1 ARG 7 -3.641 -3.374 5.841
71 1HD ARG 7 HD2 ARG 7 -2.615 -1.925 7.298
72 2HD ARG 7 HD1 ARG 7 -3.904 -0.728 7.182
73 HE ARG 7 HE ARG 7 -3.745 -2.935 9.015
74 1HH1 ARG 7 HH11 ARG 7 -5.893 -0.715 7.391
75 2HH1 ARG 7 HH12 ARG 7 -7.145 -0.862 8.578
76 1HH2 ARG 7 HH21 ARG 7 -5.391 -3.129 10.578
77 2HH2 ARG 7 HH22 ARG 7 -6.860 -2.232 10.388
78 H LEU 8 HN LEU 8 -3.429 0.729 2.851
79 HA LEU 8 HA LEU 8 -3.109 -0.724 0.438
80 1HB LEU 8 HB2 LEU 8 -3.637 2.104 1.187
81 2HB LEU 8 HB1 LEU 8 -3.002 1.814 -0.421
82 HG LEU 8 HG LEU 8 -5.451 0.398 0.606
83 1HD1 LEU 8 HD11 LEU 8 -6.357 2.467 0.689
84 2HD1 LEU 8 HD12 LEU 8 -6.477 2.227 -1.055
85 3HD1 LEU 8 HD13 LEU 8 -5.142 3.163 -0.383
86 1HD2 LEU 8 HD21 LEU 8 -5.749 -0.336 -1.533
87 2HD2 LEU 8 HD22 LEU 8 -3.988 -0.247 -1.498
88 3HD2 LEU 8 HD23 LEU 8 -4.922 1.050 -2.244
89 H GLU 9 HN GLU 9 -1.099 1.587 2.213
90 HA GLU 9 HA GLU 9 0.974 1.763 0.311
91 1HB GLU 9 HB2 GLU 9 0.528 3.187 2.441
92 2HB GLU 9 HB1 GLU 9 1.458 1.947 3.271
93 1HG GLU 9 HG2 GLU 9 3.298 2.374 1.607
94 2HG GLU 9 HG1 GLU 9 2.374 3.778 1.074
95 H LYS 10 HN LYS 10 0.133 -0.644 2.678
96 HA LYS 10 HA LYS 10 2.666 -1.943 2.775
97 1HB LYS 10 HB2 LYS 10 0.458 -2.141 4.282
98 2HB LYS 10 HB1 LYS 10 0.179 -3.512 3.218
99 1HG LYS 10 HG2 LYS 10 2.883 -3.353 4.349
100 2HG LYS 10 HG1 LYS 10 1.590 -3.617 5.520
101 1HD LYS 10 HD2 LYS 10 1.404 -5.253 3.088
102 2HD LYS 10 HD1 LYS 10 2.815 -5.583 4.094
103 1HE LYS 10 HE2 LYS 10 0.196 -5.326 5.459
104 2HE LYS 10 HE1 LYS 10 0.460 -6.770 4.483
105 1HZ LYS 10 HZ1 LYS 10 1.362 -7.517 6.389
106 2HZ LYS 10 HZ2 LYS 10 1.701 -5.970 6.985
107 3HZ LYS 10 HZ3 LYS 10 2.734 -6.685 5.852
108 H SER 11 HN SER 11 -0.281 -2.407 0.872
109 HA SER 11 HA SER 11 0.654 -4.712 -0.510
110 1HB SER 11 HB2 SER 11 -1.776 -3.887 -0.224
111 2HB SER 11 HB1 SER 11 -1.429 -2.818 -1.584
112 HG SER 11 HG SER 11 -1.418 -5.645 -1.522
113 H PHE 12 HN PHE 12 0.889 -1.262 -1.049
114 HA PHE 12 HA PHE 12 1.636 -1.280 -3.751
115 1HB PHE 12 HB2 PHE 12 1.115 0.683 -2.024
116 2HB PHE 12 HB1 PHE 12 2.872 0.723 -1.925
117 HD1 PHE 12 HD1 PHE 12 -0.035 1.272 -4.073
118 HD2 PHE 12 HD2 PHE 12 4.209 1.423 -3.805
119 HE1 PHE 12 HE1 PHE 12 0.043 2.610 -6.137
120 HE2 PHE 12 HE2 PHE 12 4.296 2.762 -5.867
121 HZ PHE 12 HZ PHE 12 2.211 3.358 -7.036
122 H SER 13 HN SER 13 3.439 -1.961 -0.844
123 HA SER 13 HA SER 13 6.047 -1.649 -1.785
124 1HB SER 13 HB2 SER 13 5.336 -2.103 0.600
125 2HB SER 13 HB1 SER 13 5.148 -3.796 0.144
126 HG SER 13 HG SER 13 7.228 -4.020 0.264
127 H LYS 14 HN LYS 14 3.755 -4.270 -2.204
128 HA LYS 14 HA LYS 14 5.548 -6.201 -3.206
129 1HB LYS 14 HB2 LYS 14 2.800 -6.049 -2.684
130 2HB LYS 14 HB1 LYS 14 2.917 -6.394 -4.404
131 1HG LYS 14 HG2 LYS 14 4.631 -7.999 -2.611
132 2HG LYS 14 HG1 LYS 14 2.892 -8.291 -2.531
133 1HD LYS 14 HD2 LYS 14 3.370 -9.729 -4.217
134 2HD LYS 14 HD1 LYS 14 3.203 -8.266 -5.190
135 1HE LYS 14 HE2 LYS 14 5.240 -9.616 -5.698
136 2HE LYS 14 HE1 LYS 14 5.568 -7.945 -5.243
137 1HZ LYS 14 HZ1 LYS 14 6.833 -10.020 -4.183
138 2HZ LYS 14 HZ2 LYS 14 5.563 -9.881 -3.076
139 3HZ LYS 14 HZ3 LYS 14 6.591 -8.567 -3.352
140 H ILE 15 HN ILE 15 3.572 -3.736 -4.812
141 HA ILE 15 HA ILE 15 4.370 -4.472 -7.450
142 HB ILE 15 HB ILE 15 3.260 -1.814 -6.559
143 1HG1 ILE 15 HG12 ILE 15 1.944 -3.903 -5.846
144 2HG1 ILE 15 HG11 ILE 15 1.074 -2.665 -6.739
145 1HG2 ILE 15 HG21 ILE 15 3.103 -3.225 -9.218
146 2HG2 ILE 15 HG22 ILE 15 4.197 -1.897 -8.833
147 3HG2 ILE 15 HG23 ILE 15 2.454 -1.631 -8.834
148 1HD1 ILE 15 HD11 ILE 15 0.561 -4.091 -8.358
149 2HD1 ILE 15 HD12 ILE 15 1.170 -5.369 -7.305
150 3HD1 ILE 15 HD13 ILE 15 2.232 -4.635 -8.507
151 H GLN 16 HN GLN 16 5.698 -2.431 -4.976
152 HA GLN 16 HA GLN 16 7.244 -0.669 -6.471
153 1HB GLN 16 HB2 GLN 16 6.952 -0.490 -4.041
154 2HB GLN 16 HB1 GLN 16 7.911 -1.945 -3.812
155 1HG GLN 16 HG2 GLN 16 9.603 -0.397 -5.278
156 2HG GLN 16 HG1 GLN 16 8.753 0.808 -4.313
157 1HE2 GLN 16 HE21 GLN 16 10.879 1.149 -3.371
158 2HE2 GLN 16 HE22 GLN 16 11.397 0.130 -2.075
159 H ASN 17 HN ASN 17 7.893 -4.001 -5.514
160 HA ASN 17 HA ASN 17 10.582 -4.066 -6.408
161 1HB ASN 17 HB2 ASN 17 8.561 -6.051 -5.536
162 2HB ASN 17 HB1 ASN 17 9.858 -6.661 -6.560
163 1HD2 ASN 17 HD21 ASN 17 9.894 -4.112 -4.113
164 2HD2 ASN 17 HD22 ASN 17 11.076 -4.860 -3.098
165 H ASP 18 HN ASP 18 7.500 -4.548 -7.978
166 HA ASP 18 HA ASP 18 8.764 -5.511 -10.420
167 1HB ASP 18 HB2 ASP 18 6.001 -5.410 -9.355
168 2HB ASP 18 HB1 ASP 18 6.164 -5.247 -11.101
169 H LYS 19 HN LYS 19 9.695 -3.998 -11.638
170 HA LYS 19 HA LYS 19 8.570 -1.314 -11.762
171 1HB LYS 19 HB2 LYS 19 11.111 -2.500 -12.885
172 2HB LYS 19 HB1 LYS 19 10.621 -0.830 -13.130
173 1HG LYS 19 HG2 LYS 19 11.060 -0.235 -10.969
174 2HG LYS 19 HG1 LYS 19 10.776 -1.863 -10.348
175 1HD LYS 19 HD2 LYS 19 13.120 -1.408 -10.184
176 2HD LYS 19 HD1 LYS 19 12.883 -2.581 -11.481
177 1HE LYS 19 HE2 LYS 19 12.715 -0.251 -12.855
178 2HE LYS 19 HE1 LYS 19 13.855 0.193 -11.586
179 1HZ LYS 19 HZ1 LYS 19 15.431 -1.184 -12.393
180 2HZ LYS 19 HZ2 LYS 19 14.597 -0.955 -13.847
181 3HZ LYS 19 HZ3 LYS 19 14.326 -2.348 -12.927
182 1HN NH2 20 NH1 NH2 20 9.078 -4.115 -13.797
183 2HN NH2 20 NH2 NH2 20 8.183 -3.539 -15.158
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 -10.926 3.874 9.938
2 2H ALA 1 HT2 ALA 1 -10.433 5.517 9.998
3 3H ALA 1 HT3 ALA 1 -9.548 4.386 9.057
4 HA ALA 1 HA ALA 1 -11.576 4.030 7.739
5 1HB ALA 1 HB1 ALA 1 -12.504 6.103 9.632
6 2HB ALA 1 HB2 ALA 1 -13.397 4.806 8.838
7 3HB ALA 1 HB3 ALA 1 -13.006 6.279 7.950
8 H LYS 2 HN LYS 2 -10.079 7.088 8.762
9 HA LYS 2 HA LYS 2 -9.673 7.804 5.950
10 1HB LYS 2 HB2 LYS 2 -10.619 9.376 7.831
11 2HB LYS 2 HB1 LYS 2 -8.921 9.590 8.231
12 1HG LYS 2 HG2 LYS 2 -9.323 9.883 5.401
13 2HG LYS 2 HG1 LYS 2 -10.404 10.952 6.296
14 1HD LYS 2 HD2 LYS 2 -7.413 10.765 6.654
15 2HD LYS 2 HD1 LYS 2 -8.271 12.045 5.794
16 1HE LYS 2 HE2 LYS 2 -8.187 13.109 7.772
17 2HE LYS 2 HE1 LYS 2 -9.558 12.078 8.176
18 1HZ LYS 2 HZ1 LYS 2 -7.261 10.607 8.697
19 2HZ LYS 2 HZ2 LYS 2 -8.351 11.250 9.819
20 3HZ LYS 2 HZ3 LYS 2 -6.996 12.145 9.350
21 H LYS 3 HN LYS 3 -8.128 5.709 7.355
22 HA LYS 3 HA LYS 3 -5.470 6.731 6.676
23 1HB LYS 3 HB2 LYS 3 -6.173 6.698 9.297
24 2HB LYS 3 HB1 LYS 3 -5.547 5.064 9.125
25 1HG LYS 3 HG2 LYS 3 -3.590 6.044 9.614
26 2HG LYS 3 HG1 LYS 3 -3.592 6.453 7.897
27 1HD LYS 3 HD2 LYS 3 -3.158 8.504 8.856
28 2HD LYS 3 HD1 LYS 3 -4.915 8.558 8.694
29 1HE LYS 3 HE2 LYS 3 -5.238 8.082 10.985
30 2HE LYS 3 HE1 LYS 3 -3.555 7.604 11.200
31 1HZ LYS 3 HZ1 LYS 3 -3.387 9.683 12.004
32 2HZ LYS 3 HZ2 LYS 3 -4.737 10.256 11.161
33 3HZ LYS 3 HZ3 LYS 3 -3.249 10.109 10.372
34 H VAL 4 HN VAL 4 -7.596 4.664 5.761
35 HA VAL 4 HA VAL 4 -6.494 2.095 6.016
36 HB VAL 4 HB VAL 4 -8.716 2.461 5.023
37 1HG1 VAL 4 HG11 VAL 4 -7.580 4.466 3.609
38 2HG1 VAL 4 HG12 VAL 4 -9.131 3.727 3.208
39 3HG1 VAL 4 HG13 VAL 4 -7.664 3.205 2.379
40 1HG2 VAL 4 HG21 VAL 4 -6.990 1.188 2.920
41 2HG2 VAL 4 HG22 VAL 4 -8.624 0.750 3.418
42 3HG2 VAL 4 HG23 VAL 4 -7.260 0.435 4.491
43 H PHE 5 HN PHE 5 -5.469 4.889 4.453
44 HA PHE 5 HA PHE 5 -3.993 4.269 2.296
45 1HB PHE 5 HB2 PHE 5 -4.267 6.491 3.533
46 2HB PHE 5 HB1 PHE 5 -2.920 5.967 4.533
47 HD1 PHE 5 HD1 PHE 5 -3.745 6.158 0.893
48 HD2 PHE 5 HD2 PHE 5 -0.865 6.800 3.959
49 HE1 PHE 5 HE1 PHE 5 -2.169 7.041 -0.778
50 HE2 PHE 5 HE2 PHE 5 0.716 7.685 2.294
51 HZ PHE 5 HZ PHE 5 0.065 7.807 -0.077
52 H LYS 6 HN LYS 6 -3.316 3.450 5.580
53 HA LYS 6 HA LYS 6 -0.616 2.721 5.333
54 1HB LYS 6 HB2 LYS 6 -2.665 2.554 7.335
55 2HB LYS 6 HB1 LYS 6 -1.837 1.006 7.239
56 1HG LYS 6 HG2 LYS 6 -0.086 1.806 8.332
57 2HG LYS 6 HG1 LYS 6 0.072 3.150 7.199
58 1HD LYS 6 HD2 LYS 6 -1.060 4.590 8.541
59 2HD LYS 6 HD1 LYS 6 -2.125 3.332 9.172
60 1HE LYS 6 HE2 LYS 6 0.159 2.504 10.259
61 2HE LYS 6 HE1 LYS 6 0.546 4.218 10.111
62 1HZ LYS 6 HZ1 LYS 6 -1.841 3.109 11.489
63 2HZ LYS 6 HZ2 LYS 6 -1.440 4.747 11.369
64 3HZ LYS 6 HZ3 LYS 6 -0.452 3.699 12.255
65 H ARG 7 HN ARG 7 -3.579 0.750 5.142
66 HA ARG 7 HA ARG 7 -2.251 -1.656 4.484
67 1HB ARG 7 HB2 ARG 7 -5.074 -0.697 4.022
68 2HB ARG 7 HB1 ARG 7 -4.528 -2.291 3.519
69 1HG ARG 7 HG2 ARG 7 -3.745 -2.006 6.200
70 2HG ARG 7 HG1 ARG 7 -5.398 -1.400 6.096
71 1HD ARG 7 HD2 ARG 7 -6.256 -3.434 5.547
72 2HD ARG 7 HD1 ARG 7 -4.800 -3.938 4.691
73 HE ARG 7 HE ARG 7 -3.999 -3.886 7.268
74 1HH1 ARG 7 HH11 ARG 7 -6.714 -5.373 5.656
75 2HH1 ARG 7 HH12 ARG 7 -6.810 -6.696 6.770
76 1HH2 ARG 7 HH21 ARG 7 -4.123 -5.625 8.732
77 2HH2 ARG 7 HH22 ARG 7 -5.340 -6.839 8.516
78 H LEU 8 HN LEU 8 -3.500 1.024 2.599
79 HA LEU 8 HA LEU 8 -3.132 -0.140 0.043
80 1HB LEU 8 HB2 LEU 8 -3.366 2.692 1.027
81 2HB LEU 8 HB1 LEU 8 -3.023 2.347 -0.658
82 HG LEU 8 HG LEU 8 -5.366 0.967 0.522
83 1HD1 LEU 8 HD11 LEU 8 -6.710 3.081 -0.074
84 2HD1 LEU 8 HD12 LEU 8 -5.182 3.932 0.151
85 3HD1 LEU 8 HD13 LEU 8 -5.886 3.017 1.484
86 1HD2 LEU 8 HD21 LEU 8 -4.679 0.669 -1.820
87 2HD2 LEU 8 HD22 LEU 8 -4.909 2.396 -2.094
88 3HD2 LEU 8 HD23 LEU 8 -6.288 1.378 -1.682
89 H GLU 9 HN GLU 9 -1.117 1.882 2.140
90 HA GLU 9 HA GLU 9 1.041 2.186 0.356
91 1HB GLU 9 HB2 GLU 9 0.631 2.482 3.284
92 2HB GLU 9 HB1 GLU 9 2.291 2.298 2.734
93 1HG GLU 9 HG2 GLU 9 0.703 4.247 1.227
94 2HG GLU 9 HG1 GLU 9 0.977 4.654 2.920
95 H LYS 10 HN LYS 10 0.017 -0.449 2.381
96 HA LYS 10 HA LYS 10 2.498 -1.848 2.425
97 1HB LYS 10 HB2 LYS 10 0.185 -2.135 3.780
98 2HB LYS 10 HB1 LYS 10 -0.030 -3.391 2.569
99 1HG LYS 10 HG2 LYS 10 2.034 -4.450 3.249
100 2HG LYS 10 HG1 LYS 10 2.344 -3.153 4.405
101 1HD LYS 10 HD2 LYS 10 -0.145 -3.936 5.154
102 2HD LYS 10 HD1 LYS 10 0.536 -5.464 4.591
103 1HE LYS 10 HE2 LYS 10 2.476 -5.114 6.068
104 2HE LYS 10 HE1 LYS 10 1.741 -3.624 6.656
105 1HZ LYS 10 HZ1 LYS 10 0.336 -6.218 6.842
106 2HZ LYS 10 HZ2 LYS 10 0.041 -4.796 7.709
107 3HZ LYS 10 HZ3 LYS 10 1.423 -5.714 8.038
108 H SER 11 HN SER 11 -0.329 -1.877 0.318
109 HA SER 11 HA SER 11 0.517 -4.077 -1.275
110 1HB SER 11 HB2 SER 11 -1.834 -2.770 -1.018
111 2HB SER 11 HB1 SER 11 -1.240 -2.030 -2.505
112 HG SER 11 HG SER 11 -2.196 -4.547 -2.072
113 H PHE 12 HN PHE 12 0.953 -0.588 -1.460
114 HA PHE 12 HA PHE 12 1.957 -0.414 -4.065
115 1HB PHE 12 HB2 PHE 12 1.329 1.453 -2.357
116 2HB PHE 12 HB1 PHE 12 3.011 1.321 -1.853
117 HD1 PHE 12 HD1 PHE 12 4.782 1.501 -3.741
118 HD2 PHE 12 HD2 PHE 12 0.764 2.855 -4.099
119 HE1 PHE 12 HE1 PHE 12 5.452 2.989 -5.582
120 HE2 PHE 12 HE2 PHE 12 1.426 4.345 -5.941
121 HZ PHE 12 HZ PHE 12 3.772 4.413 -6.686
122 H SER 13 HN SER 13 3.604 -1.049 -0.997
123 HA SER 13 HA SER 13 6.235 -1.009 -1.954
124 1HB SER 13 HB2 SER 13 5.452 -1.084 0.472
125 2HB SER 13 HB1 SER 13 5.254 -2.822 0.253
126 HG SER 13 HG SER 13 7.298 -2.417 1.077
127 H LYS 14 HN LYS 14 3.757 -3.464 -2.090
128 HA LYS 14 HA LYS 14 5.473 -5.621 -2.809
129 1HB LYS 14 HB2 LYS 14 2.813 -5.366 -2.088
130 2HB LYS 14 HB1 LYS 14 2.727 -5.831 -3.781
131 1HG LYS 14 HG2 LYS 14 4.592 -7.384 -2.109
132 2HG LYS 14 HG1 LYS 14 2.874 -7.583 -1.758
133 1HD LYS 14 HD2 LYS 14 2.481 -8.087 -4.145
134 2HD LYS 14 HD1 LYS 14 4.218 -7.968 -4.433
135 1HE LYS 14 HE2 LYS 14 4.209 -10.181 -4.060
136 2HE LYS 14 HE1 LYS 14 4.143 -9.720 -2.359
137 1HZ LYS 14 HZ1 LYS 14 2.089 -10.887 -4.043
138 2HZ LYS 14 HZ2 LYS 14 1.558 -9.674 -2.991
139 3HZ LYS 14 HZ3 LYS 14 2.342 -11.041 -2.377
140 H ILE 15 HN ILE 15 3.797 -3.113 -4.570
141 HA ILE 15 HA ILE 15 4.258 -4.327 -7.150
142 HB ILE 15 HB ILE 15 3.399 -1.491 -6.587
143 1HG1 ILE 15 HG12 ILE 15 1.686 -3.958 -6.962
144 2HG1 ILE 15 HG11 ILE 15 1.896 -3.074 -5.454
145 1HG2 ILE 15 HG21 ILE 15 2.238 -1.944 -8.856
146 2HG2 ILE 15 HG22 ILE 15 3.406 -3.257 -9.001
147 3HG2 ILE 15 HG23 ILE 15 3.967 -1.594 -8.831
148 1HD1 ILE 15 HD11 ILE 15 0.911 -1.584 -7.822
149 2HD1 ILE 15 HD12 ILE 15 0.549 -1.363 -6.110
150 3HD1 ILE 15 HD13 ILE 15 -0.191 -2.691 -7.004
151 H GLN 16 HN GLN 16 5.844 -2.035 -5.067
152 HA GLN 16 HA GLN 16 7.443 -0.680 -6.908
153 1HB GLN 16 HB2 GLN 16 7.865 -1.410 -4.017
154 2HB GLN 16 HB1 GLN 16 9.050 -0.476 -4.919
155 1HG GLN 16 HG2 GLN 16 6.455 0.664 -5.291
156 2HG GLN 16 HG1 GLN 16 6.770 0.453 -3.570
157 1HE2 GLN 16 HE21 GLN 16 9.454 0.862 -3.422
158 2HE2 GLN 16 HE22 GLN 16 9.832 2.487 -3.871
159 H ASN 17 HN ASN 17 7.917 -3.794 -5.315
160 HA ASN 17 HA ASN 17 10.560 -4.227 -6.224
161 1HB ASN 17 HB2 ASN 17 9.449 -5.457 -4.340
162 2HB ASN 17 HB1 ASN 17 8.502 -6.333 -5.539
163 1HD2 ASN 17 HD21 ASN 17 9.257 -8.270 -5.929
164 2HD2 ASN 17 HD22 ASN 17 10.918 -8.744 -5.924
165 H ASP 18 HN ASP 18 7.394 -4.987 -7.570
166 HA ASP 18 HA ASP 18 8.381 -6.561 -9.730
167 1HB ASP 18 HB2 ASP 18 5.765 -5.403 -8.935
168 2HB ASP 18 HB1 ASP 18 5.977 -5.783 -10.642
169 H LYS 19 HN LYS 19 9.526 -5.826 -11.383
170 HA LYS 19 HA LYS 19 9.843 -3.083 -11.979
171 1HB LYS 19 HB2 LYS 19 11.244 -5.326 -12.577
172 2HB LYS 19 HB1 LYS 19 10.454 -5.028 -14.120
173 1HG LYS 19 HG2 LYS 19 12.284 -3.771 -14.480
174 2HG LYS 19 HG1 LYS 19 11.351 -2.558 -13.601
175 1HD LYS 19 HD2 LYS 19 13.243 -4.466 -12.244
176 2HD LYS 19 HD1 LYS 19 13.747 -2.886 -12.848
177 1HE LYS 19 HE2 LYS 19 11.561 -2.188 -11.432
178 2HE LYS 19 HE1 LYS 19 12.097 -3.589 -10.507
179 1HZ LYS 19 HZ1 LYS 19 13.343 -0.984 -10.816
180 2HZ LYS 19 HZ2 LYS 19 14.399 -2.305 -10.821
181 3HZ LYS 19 HZ3 LYS 19 13.371 -2.049 -9.502
182 1HN NH2 20 NH1 NH2 20 7.793 -5.593 -13.295
183 2HN NH2 20 NH2 NH2 20 6.901 -4.580 -14.373
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 -13.053 4.415 5.511
2 2H ALA 1 HT2 ALA 1 -12.824 6.104 5.309
3 3H ALA 1 HT3 ALA 1 -12.689 5.397 6.868
4 HA ALA 1 HA ALA 1 -10.721 4.399 6.408
5 1HB ALA 1 HB1 ALA 1 -11.253 4.935 3.489
6 2HB ALA 1 HB2 ALA 1 -11.391 3.376 4.302
7 3HB ALA 1 HB3 ALA 1 -9.816 4.155 4.148
8 H LYS 2 HN LYS 2 -10.081 6.207 7.625
9 HA LYS 2 HA LYS 2 -9.334 8.603 6.121
10 1HB LYS 2 HB2 LYS 2 -10.584 8.342 8.543
11 2HB LYS 2 HB1 LYS 2 -8.918 8.632 9.025
12 1HG LYS 2 HG2 LYS 2 -9.011 10.784 8.456
13 2HG LYS 2 HG1 LYS 2 -9.827 10.438 6.931
14 1HD LYS 2 HD2 LYS 2 -11.807 9.910 8.707
15 2HD LYS 2 HD1 LYS 2 -10.941 11.198 9.546
16 1HE LYS 2 HE2 LYS 2 -11.401 12.753 7.918
17 2HE LYS 2 HE1 LYS 2 -11.571 11.536 6.654
18 1HZ LYS 2 HZ1 LYS 2 -13.543 12.533 8.548
19 2HZ LYS 2 HZ2 LYS 2 -13.613 10.880 8.199
20 3HZ LYS 2 HZ3 LYS 2 -13.741 12.012 6.950
21 H LYS 3 HN LYS 3 -7.969 5.799 7.390
22 HA LYS 3 HA LYS 3 -5.294 6.773 6.786
23 1HB LYS 3 HB2 LYS 3 -5.746 7.230 9.246
24 2HB LYS 3 HB1 LYS 3 -5.826 5.489 9.472
25 1HG LYS 3 HG2 LYS 3 -3.602 5.246 9.369
26 2HG LYS 3 HG1 LYS 3 -3.431 6.422 8.064
27 1HD LYS 3 HD2 LYS 3 -3.145 8.171 9.496
28 2HD LYS 3 HD1 LYS 3 -4.177 7.462 10.739
29 1HE LYS 3 HE2 LYS 3 -2.458 6.421 11.743
30 2HE LYS 3 HE1 LYS 3 -1.716 5.961 10.211
31 1HZ LYS 3 HZ1 LYS 3 -0.683 7.768 11.862
32 2HZ LYS 3 HZ2 LYS 3 -1.604 8.786 10.874
33 3HZ LYS 3 HZ3 LYS 3 -0.425 7.786 10.189
34 H VAL 4 HN VAL 4 -7.405 4.623 6.009
35 HA VAL 4 HA VAL 4 -6.243 2.098 6.494
36 HB VAL 4 HB VAL 4 -7.752 2.960 4.015
37 1HG1 VAL 4 HG11 VAL 4 -8.371 0.536 3.935
38 2HG1 VAL 4 HG12 VAL 4 -7.179 0.253 5.204
39 3HG1 VAL 4 HG13 VAL 4 -6.666 0.871 3.634
40 1HG2 VAL 4 HG21 VAL 4 -8.838 1.748 6.556
41 2HG2 VAL 4 HG22 VAL 4 -9.764 2.170 5.115
42 3HG2 VAL 4 HG23 VAL 4 -9.007 3.438 6.079
43 H PHE 5 HN PHE 5 -5.303 4.779 4.715
44 HA PHE 5 HA PHE 5 -3.878 4.022 2.563
45 1HB PHE 5 HB2 PHE 5 -4.162 6.326 3.640
46 2HB PHE 5 HB1 PHE 5 -2.777 5.901 4.635
47 HD1 PHE 5 HD1 PHE 5 -0.579 6.082 3.805
48 HD2 PHE 5 HD2 PHE 5 -3.886 6.437 1.150
49 HE1 PHE 5 HE1 PHE 5 0.936 6.860 2.029
50 HE2 PHE 5 HE2 PHE 5 -2.377 7.215 -0.632
51 HZ PHE 5 HZ PHE 5 0.037 7.427 -0.193
52 H LYS 6 HN LYS 6 -3.119 3.436 5.877
53 HA LYS 6 HA LYS 6 -0.409 2.749 5.625
54 1HB LYS 6 HB2 LYS 6 -2.321 2.797 7.693
55 2HB LYS 6 HB1 LYS 6 -1.722 1.145 7.639
56 1HG LYS 6 HG2 LYS 6 0.198 3.433 7.631
57 2HG LYS 6 HG1 LYS 6 -0.542 2.893 9.140
58 1HD LYS 6 HD2 LYS 6 0.273 0.595 8.645
59 2HD LYS 6 HD1 LYS 6 1.121 1.243 7.240
60 1HE LYS 6 HE2 LYS 6 2.262 2.838 8.855
61 2HE LYS 6 HE1 LYS 6 1.610 1.832 10.148
62 1HZ LYS 6 HZ1 LYS 6 3.043 0.172 9.701
63 2HZ LYS 6 HZ2 LYS 6 3.975 1.412 9.027
64 3HZ LYS 6 HZ3 LYS 6 3.024 0.433 8.029
65 H ARG 7 HN ARG 7 -3.342 0.727 5.562
66 HA ARG 7 HA ARG 7 -1.981 -1.700 5.061
67 1HB ARG 7 HB2 ARG 7 -4.774 -0.752 4.972
68 2HB ARG 7 HB1 ARG 7 -4.413 -2.087 3.886
69 1HG ARG 7 HG2 ARG 7 -5.086 -3.186 5.789
70 2HG ARG 7 HG1 ARG 7 -3.332 -3.165 5.985
71 1HD ARG 7 HD2 ARG 7 -3.412 -1.742 7.740
72 2HD ARG 7 HD1 ARG 7 -4.781 -0.844 7.085
73 HE ARG 7 HE ARG 7 -6.146 -2.123 8.379
74 1HH1 ARG 7 HH11 ARG 7 -3.165 -3.872 7.894
75 2HH1 ARG 7 HH12 ARG 7 -3.618 -5.180 8.934
76 1HH2 ARG 7 HH21 ARG 7 -6.743 -3.844 9.747
77 2HH2 ARG 7 HH22 ARG 7 -5.648 -5.166 9.985
78 H LEU 8 HN LEU 8 -3.312 0.806 2.983
79 HA LEU 8 HA LEU 8 -2.865 -0.527 0.525
80 1HB LEU 8 HB2 LEU 8 -3.599 2.176 1.406
81 2HB LEU 8 HB1 LEU 8 -2.670 2.147 -0.081
82 HG LEU 8 HG LEU 8 -4.474 0.282 -0.712
83 1HD1 LEU 8 HD11 LEU 8 -5.671 1.863 1.507
84 2HD1 LEU 8 HD12 LEU 8 -5.863 0.157 1.102
85 3HD1 LEU 8 HD13 LEU 8 -6.692 1.388 0.149
86 1HD2 LEU 8 HD21 LEU 8 -4.370 1.959 -2.236
87 2HD2 LEU 8 HD22 LEU 8 -4.397 3.226 -1.010
88 3HD2 LEU 8 HD23 LEU 8 -5.892 2.410 -1.468
89 H GLU 9 HN GLU 9 -0.949 1.682 2.512
90 HA GLU 9 HA GLU 9 1.210 1.988 0.730
91 1HB GLU 9 HB2 GLU 9 0.684 2.504 3.577
92 2HB GLU 9 HB1 GLU 9 2.370 2.167 3.211
93 1HG GLU 9 HG2 GLU 9 2.010 3.922 1.316
94 2HG GLU 9 HG1 GLU 9 0.654 4.431 2.321
95 H LYS 10 HN LYS 10 0.281 -0.578 2.893
96 HA LYS 10 HA LYS 10 2.810 -1.884 2.992
97 1HB LYS 10 HB2 LYS 10 0.031 -2.500 3.790
98 2HB LYS 10 HB1 LYS 10 1.039 -3.895 3.430
99 1HG LYS 10 HG2 LYS 10 2.739 -2.899 5.024
100 2HG LYS 10 HG1 LYS 10 1.463 -1.787 5.524
101 1HD LYS 10 HD2 LYS 10 0.395 -4.426 5.511
102 2HD LYS 10 HD1 LYS 10 1.928 -4.454 6.385
103 1HE LYS 10 HE2 LYS 10 1.194 -2.861 7.944
104 2HE LYS 10 HE1 LYS 10 -0.161 -2.367 6.929
105 1HZ LYS 10 HZ1 LYS 10 -0.834 -4.864 7.280
106 2HZ LYS 10 HZ2 LYS 10 -1.231 -3.683 8.423
107 3HZ LYS 10 HZ3 LYS 10 0.098 -4.697 8.682
108 H SER 11 HN SER 11 -0.090 -2.274 0.995
109 HA SER 11 HA SER 11 0.934 -4.447 -0.529
110 1HB SER 11 HB2 SER 11 -0.983 -4.067 -1.995
111 2HB SER 11 HB1 SER 11 -1.487 -3.977 -0.308
112 HG SER 11 HG SER 11 -2.358 -2.186 -1.092
113 H PHE 12 HN PHE 12 1.176 -0.979 -0.756
114 HA PHE 12 HA PHE 12 1.848 -0.662 -3.438
115 1HB PHE 12 HB2 PHE 12 1.481 1.103 -1.561
116 2HB PHE 12 HB1 PHE 12 3.212 0.930 -1.288
117 HD1 PHE 12 HD1 PHE 12 4.815 1.646 -2.974
118 HD2 PHE 12 HD2 PHE 12 0.630 2.177 -3.530
119 HE1 PHE 12 HE1 PHE 12 5.263 3.240 -4.795
120 HE2 PHE 12 HE2 PHE 12 1.070 3.771 -5.352
121 HZ PHE 12 HZ PHE 12 3.389 4.304 -5.987
122 H SER 13 HN SER 13 3.740 -1.868 -0.766
123 HA SER 13 HA SER 13 6.312 -1.592 -1.820
124 1HB SER 13 HB2 SER 13 5.328 -2.558 0.506
125 2HB SER 13 HB1 SER 13 5.755 -4.070 -0.294
126 HG SER 13 HG SER 13 7.495 -1.857 0.083
127 H LYS 14 HN LYS 14 3.834 -4.017 -2.387
128 HA LYS 14 HA LYS 14 5.431 -5.888 -3.760
129 1HB LYS 14 HB2 LYS 14 2.840 -5.826 -2.920
130 2HB LYS 14 HB1 LYS 14 2.633 -5.627 -4.655
131 1HG LYS 14 HG2 LYS 14 2.565 -7.895 -4.509
132 2HG LYS 14 HG1 LYS 14 4.298 -7.665 -4.746
133 1HD LYS 14 HD2 LYS 14 4.776 -8.047 -2.489
134 2HD LYS 14 HD1 LYS 14 3.105 -7.766 -1.996
135 1HE LYS 14 HE2 LYS 14 3.951 -10.073 -3.735
136 2HE LYS 14 HE1 LYS 14 3.867 -10.170 -1.977
137 1HZ LYS 14 HZ1 LYS 14 1.850 -10.998 -3.042
138 2HZ LYS 14 HZ2 LYS 14 1.592 -9.489 -3.761
139 3HZ LYS 14 HZ3 LYS 14 1.524 -9.646 -2.078
140 H ILE 15 HN ILE 15 3.826 -2.948 -4.766
141 HA ILE 15 HA ILE 15 4.083 -3.381 -7.570
142 HB ILE 15 HB ILE 15 3.833 -0.728 -6.159
143 1HG1 ILE 15 HG12 ILE 15 2.110 -2.517 -5.519
144 2HG1 ILE 15 HG11 ILE 15 1.491 -0.981 -6.105
145 1HG2 ILE 15 HG21 ILE 15 3.106 -1.625 -8.943
146 2HG2 ILE 15 HG22 ILE 15 4.405 -0.520 -8.493
147 3HG2 ILE 15 HG23 ILE 15 2.722 -0.046 -8.257
148 1HD1 ILE 15 HD11 ILE 15 1.866 -2.830 -8.278
149 2HD1 ILE 15 HD12 ILE 15 0.410 -1.981 -7.759
150 3HD1 ILE 15 HD13 ILE 15 0.844 -3.522 -7.018
151 H GLN 16 HN GLN 16 6.136 -2.022 -5.092
152 HA GLN 16 HA GLN 16 7.924 -0.582 -6.691
153 1HB GLN 16 HB2 GLN 16 7.684 -1.159 -3.996
154 2HB GLN 16 HB1 GLN 16 9.193 -1.944 -4.440
155 1HG GLN 16 HG2 GLN 16 10.250 0.019 -4.883
156 2HG GLN 16 HG1 GLN 16 8.765 0.840 -5.361
157 1HE2 GLN 16 HE21 GLN 16 11.074 0.556 -2.997
158 2HE2 GLN 16 HE22 GLN 16 10.225 1.303 -1.691
159 H ASN 17 HN ASN 17 7.642 -4.002 -6.054
160 HA ASN 17 HA ASN 17 10.178 -4.570 -7.373
161 1HB ASN 17 HB2 ASN 17 9.140 -5.782 -5.272
162 2HB ASN 17 HB1 ASN 17 8.286 -6.714 -6.497
163 1HD2 ASN 17 HD21 ASN 17 11.409 -5.879 -5.191
164 2HD2 ASN 17 HD22 ASN 17 12.274 -7.200 -5.891
165 H ASP 18 HN ASP 18 6.743 -4.714 -7.958
166 HA ASP 18 HA ASP 18 6.691 -6.450 -10.148
167 1HB ASP 18 HB2 ASP 18 4.783 -5.173 -8.775
168 2HB ASP 18 HB1 ASP 18 4.866 -4.100 -10.169
169 H LYS 19 HN LYS 19 7.570 -3.076 -9.903
170 HA LYS 19 HA LYS 19 7.741 -2.793 -12.798
171 1HB LYS 19 HB2 LYS 19 7.839 -0.943 -10.470
172 2HB LYS 19 HB1 LYS 19 8.709 -0.461 -11.921
173 1HG LYS 19 HG2 LYS 19 6.429 -1.083 -13.085
174 2HG LYS 19 HG1 LYS 19 5.790 -0.771 -11.470
175 1HD LYS 19 HD2 LYS 19 6.223 1.453 -11.582
176 2HD LYS 19 HD1 LYS 19 7.686 1.227 -12.543
177 1HE LYS 19 HE2 LYS 19 5.175 0.511 -13.895
178 2HE LYS 19 HE1 LYS 19 5.351 2.221 -13.503
179 1HZ LYS 19 HZ1 LYS 19 7.296 2.374 -14.778
180 2HZ LYS 19 HZ2 LYS 19 6.229 1.474 -15.732
181 3HZ LYS 19 HZ3 LYS 19 7.473 0.695 -14.893
182 1HN NH2 20 NH1 NH2 20 9.498 -3.437 -13.810
183 2HN NH2 20 NH2 NH2 20 11.112 -3.396 -13.197
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 -9.098 9.063 11.230
2 2H ALA 1 HT2 ALA 1 -8.662 9.200 9.576
3 3H ALA 1 HT3 ALA 1 -8.245 7.790 10.461
4 HA ALA 1 HA ALA 1 -10.563 7.292 10.758
5 1HB ALA 1 HB1 ALA 1 -11.012 9.894 10.248
6 2HB ALA 1 HB2 ALA 1 -12.243 8.641 10.090
7 3HB ALA 1 HB3 ALA 1 -11.370 9.205 8.665
8 H LYS 2 HN LYS 2 -9.675 8.698 7.600
9 HA LYS 2 HA LYS 2 -10.109 6.080 6.373
10 1HB LYS 2 HB2 LYS 2 -10.857 8.577 5.569
11 2HB LYS 2 HB1 LYS 2 -9.379 8.352 4.644
12 1HG LYS 2 HG2 LYS 2 -11.359 6.143 4.647
13 2HG LYS 2 HG1 LYS 2 -11.739 7.600 3.727
14 1HD LYS 2 HD2 LYS 2 -9.037 6.397 3.409
15 2HD LYS 2 HD1 LYS 2 -10.408 5.585 2.649
16 1HE LYS 2 HE2 LYS 2 -9.762 7.005 0.965
17 2HE LYS 2 HE1 LYS 2 -10.966 7.995 1.788
18 1HZ LYS 2 HZ1 LYS 2 -8.549 8.875 1.198
19 2HZ LYS 2 HZ2 LYS 2 -8.218 8.229 2.725
20 3HZ LYS 2 HZ3 LYS 2 -9.407 9.418 2.552
21 H LYS 3 HN LYS 3 -7.918 5.917 7.858
22 HA LYS 3 HA LYS 3 -5.583 6.510 6.187
23 1HB LYS 3 HB2 LYS 3 -5.917 6.673 8.878
24 2HB LYS 3 HB1 LYS 3 -5.233 5.058 8.745
25 1HG LYS 3 HG2 LYS 3 -3.765 6.923 7.115
26 2HG LYS 3 HG1 LYS 3 -3.862 7.484 8.785
27 1HD LYS 3 HD2 LYS 3 -3.258 4.626 8.481
28 2HD LYS 3 HD1 LYS 3 -2.021 5.712 7.845
29 1HE LYS 3 HE2 LYS 3 -2.434 6.931 10.162
30 2HE LYS 3 HE1 LYS 3 -2.959 5.317 10.638
31 1HZ LYS 3 HZ1 LYS 3 -0.876 4.472 10.417
32 2HZ LYS 3 HZ2 LYS 3 -0.463 6.059 10.830
33 3HZ LYS 3 HZ3 LYS 3 -0.416 5.567 9.212
34 H VAL 4 HN VAL 4 -7.695 4.316 5.703
35 HA VAL 4 HA VAL 4 -6.496 1.804 6.026
36 HB VAL 4 HB VAL 4 -8.151 2.675 3.648
37 1HG1 VAL 4 HG11 VAL 4 -8.830 0.114 4.094
38 2HG1 VAL 4 HG12 VAL 4 -7.158 0.083 4.651
39 3HG1 VAL 4 HG13 VAL 4 -7.530 0.599 3.006
40 1HG2 VAL 4 HG21 VAL 4 -10.053 1.674 5.003
41 2HG2 VAL 4 HG22 VAL 4 -9.450 3.245 5.531
42 3HG2 VAL 4 HG23 VAL 4 -8.979 1.783 6.397
43 H PHE 5 HN PHE 5 -5.722 4.486 4.144
44 HA PHE 5 HA PHE 5 -4.441 3.719 1.911
45 1HB PHE 5 HB2 PHE 5 -4.665 6.034 2.971
46 2HB PHE 5 HB1 PHE 5 -3.220 5.630 3.887
47 HD1 PHE 5 HD1 PHE 5 -1.167 6.220 3.030
48 HD2 PHE 5 HD2 PHE 5 -4.446 5.714 0.365
49 HE1 PHE 5 HE1 PHE 5 0.239 6.987 1.162
50 HE2 PHE 5 HE2 PHE 5 -3.047 6.480 -1.508
51 HZ PHE 5 HZ PHE 5 -0.701 7.118 -1.112
52 H LYS 6 HN LYS 6 -3.421 3.227 5.172
53 HA LYS 6 HA LYS 6 -0.738 2.544 4.756
54 1HB LYS 6 HB2 LYS 6 -1.856 2.966 6.981
55 2HB LYS 6 HB1 LYS 6 -2.552 1.356 6.861
56 1HG LYS 6 HG2 LYS 6 -0.506 0.309 7.135
57 2HG LYS 6 HG1 LYS 6 0.404 1.741 6.651
58 1HD LYS 6 HD2 LYS 6 0.415 2.579 8.734
59 2HD LYS 6 HD1 LYS 6 -1.269 2.138 9.020
60 1HE LYS 6 HE2 LYS 6 0.051 0.895 10.557
61 2HE LYS 6 HE1 LYS 6 -0.499 -0.230 9.315
62 1HZ LYS 6 HZ1 LYS 6 1.918 -0.367 10.000
63 2HZ LYS 6 HZ2 LYS 6 2.145 1.088 9.168
64 3HZ LYS 6 HZ3 LYS 6 1.610 -0.285 8.338
65 H ARG 7 HN ARG 7 -3.656 0.510 4.862
66 HA ARG 7 HA ARG 7 -2.341 -1.933 4.367
67 1HB ARG 7 HB2 ARG 7 -5.067 -0.987 4.525
68 2HB ARG 7 HB1 ARG 7 -4.881 -2.086 3.164
69 1HG ARG 7 HG2 ARG 7 -5.450 -3.518 4.870
70 2HG ARG 7 HG1 ARG 7 -3.688 -3.615 4.884
71 1HD ARG 7 HD2 ARG 7 -4.121 -1.529 6.570
72 2HD ARG 7 HD1 ARG 7 -5.542 -2.524 6.885
73 HE ARG 7 HE ARG 7 -3.069 -3.991 6.903
74 1HH1 ARG 7 HH11 ARG 7 -5.277 -2.077 8.811
75 2HH1 ARG 7 HH12 ARG 7 -4.765 -2.759 10.317
76 1HH2 ARG 7 HH21 ARG 7 -2.394 -4.890 8.885
77 2HH2 ARG 7 HH22 ARG 7 -3.128 -4.357 10.360
78 H LEU 8 HN LEU 8 -3.745 0.507 2.239
79 HA LEU 8 HA LEU 8 -3.302 -0.872 -0.188
80 1HB LEU 8 HB2 LEU 8 -3.926 1.916 0.612
81 2HB LEU 8 HB1 LEU 8 -3.202 1.702 -0.971
82 HG LEU 8 HG LEU 8 -5.536 -0.010 -0.296
83 1HD1 LEU 8 HD11 LEU 8 -6.127 2.684 -1.381
84 2HD1 LEU 8 HD12 LEU 8 -5.858 2.541 0.356
85 3HD1 LEU 8 HD13 LEU 8 -7.133 1.601 -0.419
86 1HD2 LEU 8 HD21 LEU 8 -4.427 -0.298 -2.420
87 2HD2 LEU 8 HD22 LEU 8 -4.589 1.422 -2.774
88 3HD2 LEU 8 HD23 LEU 8 -6.025 0.401 -2.682
89 H GLU 9 HN GLU 9 -1.393 1.463 1.672
90 HA GLU 9 HA GLU 9 0.740 1.673 -0.165
91 1HB GLU 9 HB2 GLU 9 0.094 2.844 2.249
92 2HB GLU 9 HB1 GLU 9 1.503 1.875 2.659
93 1HG GLU 9 HG2 GLU 9 2.686 2.957 0.732
94 2HG GLU 9 HG1 GLU 9 1.306 4.045 0.589
95 H LYS 10 HN LYS 10 -0.130 -0.712 2.216
96 HA LYS 10 HA LYS 10 2.413 -1.986 2.383
97 1HB LYS 10 HB2 LYS 10 0.255 -2.172 3.902
98 2HB LYS 10 HB1 LYS 10 -0.130 -3.497 2.812
99 1HG LYS 10 HG2 LYS 10 2.605 -3.539 3.867
100 2HG LYS 10 HG1 LYS 10 1.336 -3.729 5.079
101 1HD LYS 10 HD2 LYS 10 1.099 -5.315 2.582
102 2HD LYS 10 HD1 LYS 10 2.346 -5.793 3.736
103 1HE LYS 10 HE2 LYS 10 0.727 -6.082 5.470
104 2HE LYS 10 HE1 LYS 10 -0.543 -5.369 4.477
105 1HZ LYS 10 HZ1 LYS 10 0.559 -8.055 4.430
106 2HZ LYS 10 HZ2 LYS 10 0.235 -7.375 2.916
107 3HZ LYS 10 HZ3 LYS 10 -1.002 -7.517 4.061
108 H SER 11 HN SER 11 -0.511 -2.542 0.468
109 HA SER 11 HA SER 11 0.489 -4.839 -0.882
110 1HB SER 11 HB2 SER 11 -1.978 -3.726 -0.630
111 2HB SER 11 HB1 SER 11 -1.555 -3.210 -2.263
112 HG SER 11 HG SER 11 -2.142 -5.719 -1.301
113 H PHE 12 HN PHE 12 0.699 -1.399 -1.423
114 HA PHE 12 HA PHE 12 1.581 -1.603 -4.144
115 1HB PHE 12 HB2 PHE 12 0.444 0.408 -3.086
116 2HB PHE 12 HB1 PHE 12 1.978 0.749 -2.294
117 HD1 PHE 12 HD1 PHE 12 0.473 0.222 -5.651
118 HD2 PHE 12 HD2 PHE 12 3.584 2.021 -3.372
119 HE1 PHE 12 HE1 PHE 12 1.229 1.439 -7.651
120 HE2 PHE 12 HE2 PHE 12 4.346 3.242 -5.367
121 HZ PHE 12 HZ PHE 12 3.167 2.952 -7.511
122 H SER 13 HN SER 13 3.105 -1.644 -1.018
123 HA SER 13 HA SER 13 5.706 -0.909 -1.699
124 1HB SER 13 HB2 SER 13 4.635 -2.780 0.412
125 2HB SER 13 HB1 SER 13 6.353 -2.411 0.267
126 HG SER 13 HG SER 13 4.244 -0.796 1.099
127 H LYS 14 HN LYS 14 4.281 -4.175 -1.584
128 HA LYS 14 HA LYS 14 6.542 -5.552 -2.490
129 1HB LYS 14 HB2 LYS 14 4.906 -7.330 -3.173
130 2HB LYS 14 HB1 LYS 14 4.749 -6.789 -1.508
131 1HG LYS 14 HG2 LYS 14 2.694 -5.939 -1.836
132 2HG LYS 14 HG1 LYS 14 3.072 -5.371 -3.463
133 1HD LYS 14 HD2 LYS 14 2.349 -7.274 -4.433
134 2HD LYS 14 HD1 LYS 14 2.991 -8.294 -3.144
135 1HE LYS 14 HE2 LYS 14 1.108 -7.940 -1.781
136 2HE LYS 14 HE1 LYS 14 0.565 -6.569 -2.748
137 1HZ LYS 14 HZ1 LYS 14 -0.117 -7.981 -4.474
138 2HZ LYS 14 HZ2 LYS 14 -0.668 -8.730 -3.061
139 3HZ LYS 14 HZ3 LYS 14 0.712 -9.315 -3.845
140 H ILE 15 HN ILE 15 4.055 -3.795 -4.208
141 HA ILE 15 HA ILE 15 4.749 -4.787 -6.803
142 HB ILE 15 HB ILE 15 3.255 -2.250 -6.153
143 1HG1 ILE 15 HG12 ILE 15 2.395 -4.410 -5.051
144 2HG1 ILE 15 HG11 ILE 15 1.251 -3.467 -5.992
145 1HG2 ILE 15 HG21 ILE 15 3.811 -2.260 -8.436
146 2HG2 ILE 15 HG22 ILE 15 2.145 -2.834 -8.365
147 3HG2 ILE 15 HG23 ILE 15 3.463 -3.981 -8.599
148 1HD1 ILE 15 HD11 ILE 15 2.649 -5.524 -7.525
149 2HD1 ILE 15 HD12 ILE 15 0.934 -5.116 -7.466
150 3HD1 ILE 15 HD13 ILE 15 1.640 -6.143 -6.218
151 H GLN 16 HN GLN 16 5.759 -2.114 -4.787
152 HA GLN 16 HA GLN 16 6.911 -0.439 -6.686
153 1HB GLN 16 HB2 GLN 16 7.110 -0.834 -3.799
154 2HB GLN 16 HB1 GLN 16 8.610 -0.252 -4.507
155 1HG GLN 16 HG2 GLN 16 6.431 1.234 -5.592
156 2HG GLN 16 HG1 GLN 16 6.308 1.220 -3.833
157 1HE2 GLN 16 HE21 GLN 16 9.083 1.263 -6.040
158 2HE2 GLN 16 HE22 GLN 16 9.795 2.698 -5.393
159 H ASN 17 HN ASN 17 8.047 -3.456 -5.357
160 HA ASN 17 HA ASN 17 10.741 -3.177 -6.292
161 1HB ASN 17 HB2 ASN 17 9.615 -4.766 -4.435
162 2HB ASN 17 HB1 ASN 17 9.633 -5.885 -5.795
163 1HD2 ASN 17 HD21 ASN 17 11.358 -4.720 -3.225
164 2HD2 ASN 17 HD22 ASN 17 12.939 -5.234 -3.696
165 H ASP 18 HN ASP 18 7.760 -4.490 -7.559
166 HA ASP 18 HA ASP 18 9.105 -5.698 -9.837
167 1HB ASP 18 HB2 ASP 18 6.880 -6.441 -8.504
168 2HB ASP 18 HB1 ASP 18 6.148 -5.492 -9.794
169 H LYS 19 HN LYS 19 9.942 -4.016 -11.025
170 HA LYS 19 HA LYS 19 8.462 -1.673 -11.679
171 1HB LYS 19 HB2 LYS 19 11.105 -2.381 -11.796
172 2HB LYS 19 HB1 LYS 19 10.654 -2.407 -13.495
173 1HG LYS 19 HG2 LYS 19 9.999 -0.066 -11.745
174 2HG LYS 19 HG1 LYS 19 11.575 -0.230 -12.521
175 1HD LYS 19 HD2 LYS 19 9.344 -0.691 -14.344
176 2HD LYS 19 HD1 LYS 19 9.338 0.925 -13.636
177 1HE LYS 19 HE2 LYS 19 11.492 1.406 -14.475
178 2HE LYS 19 HE1 LYS 19 11.796 -0.285 -14.873
179 1HZ LYS 19 HZ1 LYS 19 11.279 1.057 -16.834
180 2HZ LYS 19 HZ2 LYS 19 9.762 1.435 -16.188
181 3HZ LYS 19 HZ3 LYS 19 10.132 -0.164 -16.597
182 1HN NH2 20 NH1 NH2 20 7.198 -1.231 -13.380
183 2HN NH2 20 NH2 NH2 20 6.825 -2.332 -14.658
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 -12.007 6.223 10.928
2 2H ALA 1 HT2 ALA 1 -12.167 5.581 9.345
3 3H ALA 1 HT3 ALA 1 -12.529 7.232 9.645
4 HA ALA 1 HA ALA 1 -10.361 7.806 9.934
5 1HB ALA 1 HB1 ALA 1 -9.341 6.367 11.355
6 2HB ALA 1 HB2 ALA 1 -8.668 5.741 9.850
7 3HB ALA 1 HB3 ALA 1 -10.050 4.941 10.599
8 H LYS 2 HN LYS 2 -9.533 8.551 8.099
9 HA LYS 2 HA LYS 2 -9.931 6.995 5.650
10 1HB LYS 2 HB2 LYS 2 -10.724 9.416 5.909
11 2HB LYS 2 HB1 LYS 2 -9.027 9.864 5.815
12 1HG LYS 2 HG2 LYS 2 -8.999 9.657 3.604
13 2HG LYS 2 HG1 LYS 2 -9.786 8.079 3.666
14 1HD LYS 2 HD2 LYS 2 -11.882 9.637 4.266
15 2HD LYS 2 HD1 LYS 2 -10.950 10.774 3.290
16 1HE LYS 2 HE2 LYS 2 -11.379 9.670 1.387
17 2HE LYS 2 HE1 LYS 2 -11.121 8.095 2.135
18 1HZ LYS 2 HZ1 LYS 2 -13.569 9.629 2.714
19 2HZ LYS 2 HZ2 LYS 2 -13.311 7.960 2.805
20 3HZ LYS 2 HZ3 LYS 2 -13.457 8.711 1.297
21 H LYS 3 HN LYS 3 -7.812 6.372 7.557
22 HA LYS 3 HA LYS 3 -5.429 7.021 5.935
23 1HB LYS 3 HB2 LYS 3 -4.185 6.268 8.041
24 2HB LYS 3 HB1 LYS 3 -5.032 7.807 8.119
25 1HG LYS 3 HG2 LYS 3 -6.645 5.523 8.970
26 2HG LYS 3 HG1 LYS 3 -5.213 5.808 9.961
27 1HD LYS 3 HD2 LYS 3 -6.093 8.321 9.776
28 2HD LYS 3 HD1 LYS 3 -7.632 7.479 9.584
29 1HE LYS 3 HE2 LYS 3 -7.138 6.219 11.666
30 2HE LYS 3 HE1 LYS 3 -5.689 7.202 11.873
31 1HZ LYS 3 HZ1 LYS 3 -8.507 8.126 11.905
32 2HZ LYS 3 HZ2 LYS 3 -7.183 9.178 11.861
33 3HZ LYS 3 HZ3 LYS 3 -7.402 8.150 13.186
34 H VAL 4 HN VAL 4 -7.539 4.773 5.695
35 HA VAL 4 HA VAL 4 -6.309 2.316 6.254
36 HB VAL 4 HB VAL 4 -7.973 2.874 3.794
37 1HG1 VAL 4 HG11 VAL 4 -8.196 0.645 3.558
38 2HG1 VAL 4 HG12 VAL 4 -8.251 0.359 5.298
39 3HG1 VAL 4 HG13 VAL 4 -6.701 0.596 4.492
40 1HG2 VAL 4 HG21 VAL 4 -8.835 2.449 6.644
41 2HG2 VAL 4 HG22 VAL 4 -9.904 2.148 5.274
42 3HG2 VAL 4 HG23 VAL 4 -9.265 3.767 5.554
43 H PHE 5 HN PHE 5 -5.587 4.801 4.103
44 HA PHE 5 HA PHE 5 -4.336 3.829 1.935
45 1HB PHE 5 HB2 PHE 5 -4.562 6.234 2.773
46 2HB PHE 5 HB1 PHE 5 -3.096 5.930 3.693
47 HD1 PHE 5 HD1 PHE 5 -4.494 6.626 0.428
48 HD2 PHE 5 HD2 PHE 5 -0.966 5.492 2.519
49 HE1 PHE 5 HE1 PHE 5 -3.142 7.223 -1.539
50 HE2 PHE 5 HE2 PHE 5 0.394 6.087 0.556
51 HZ PHE 5 HZ PHE 5 -0.695 6.954 -1.476
52 H LYS 6 HN LYS 6 -3.259 3.656 5.210
53 HA LYS 6 HA LYS 6 -0.577 2.953 4.803
54 1HB LYS 6 HB2 LYS 6 -2.395 3.097 7.012
55 2HB LYS 6 HB1 LYS 6 -1.534 1.566 7.094
56 1HG LYS 6 HG2 LYS 6 -0.068 2.842 8.247
57 2HG LYS 6 HG1 LYS 6 0.541 3.160 6.622
58 1HD LYS 6 HD2 LYS 6 -1.159 5.126 6.653
59 2HD LYS 6 HD1 LYS 6 -1.109 4.908 8.404
60 1HE LYS 6 HE2 LYS 6 1.411 5.170 6.803
61 2HE LYS 6 HE1 LYS 6 0.511 6.596 7.318
62 1HZ LYS 6 HZ1 LYS 6 2.253 6.026 8.892
63 2HZ LYS 6 HZ2 LYS 6 1.583 4.490 9.118
64 3HZ LYS 6 HZ3 LYS 6 0.729 5.865 9.609
65 H ARG 7 HN ARG 7 -3.478 0.930 5.180
66 HA ARG 7 HA ARG 7 -2.149 -1.543 4.894
67 1HB ARG 7 HB2 ARG 7 -4.981 -0.624 4.607
68 2HB ARG 7 HB1 ARG 7 -4.544 -2.218 4.007
69 1HG ARG 7 HG2 ARG 7 -3.436 -2.320 6.457
70 2HG ARG 7 HG1 ARG 7 -4.793 -1.236 6.768
71 1HD ARG 7 HD2 ARG 7 -6.212 -2.983 5.537
72 2HD ARG 7 HD1 ARG 7 -4.836 -4.062 5.758
73 HE ARG 7 HE ARG 7 -5.712 -2.790 8.183
74 1HH1 ARG 7 HH11 ARG 7 -6.178 -5.511 6.048
75 2HH1 ARG 7 HH12 ARG 7 -6.863 -6.519 7.279
76 1HH2 ARG 7 HH21 ARG 7 -6.612 -4.113 9.803
77 2HH2 ARG 7 HH22 ARG 7 -7.110 -5.725 9.411
78 H LEU 8 HN LEU 8 -3.602 0.693 2.595
79 HA LEU 8 HA LEU 8 -3.260 -0.926 0.296
80 1HB LEU 8 HB2 LEU 8 -3.673 2.010 0.758
81 2HB LEU 8 HB1 LEU 8 -3.286 1.421 -0.848
82 HG LEU 8 HG LEU 8 -5.324 -0.209 -0.349
83 1HD1 LEU 8 HD11 LEU 8 -7.057 0.850 0.937
84 2HD1 LEU 8 HD12 LEU 8 -6.026 2.246 1.252
85 3HD1 LEU 8 HD13 LEU 8 -5.621 0.676 1.946
86 1HD2 LEU 8 HD21 LEU 8 -4.895 1.864 -2.002
87 2HD2 LEU 8 HD22 LEU 8 -6.209 2.523 -1.028
88 3HD2 LEU 8 HD23 LEU 8 -6.432 1.005 -1.898
89 H GLU 9 HN GLU 9 -1.290 1.572 1.856
90 HA GLU 9 HA GLU 9 0.783 1.603 -0.056
91 1HB GLU 9 HB2 GLU 9 0.257 3.141 2.049
92 2HB GLU 9 HB1 GLU 9 1.400 2.056 2.829
93 1HG GLU 9 HG2 GLU 9 3.148 2.696 1.406
94 2HG GLU 9 HG1 GLU 9 2.046 3.455 0.258
95 H LYS 10 HN LYS 10 -0.025 -0.583 2.523
96 HA LYS 10 HA LYS 10 2.527 -1.824 2.757
97 1HB LYS 10 HB2 LYS 10 0.570 -1.915 4.411
98 2HB LYS 10 HB1 LYS 10 -0.117 -3.141 3.355
99 1HG LYS 10 HG2 LYS 10 2.661 -3.661 4.060
100 2HG LYS 10 HG1 LYS 10 1.582 -3.594 5.455
101 1HD LYS 10 HD2 LYS 10 0.137 -5.085 3.668
102 2HD LYS 10 HD1 LYS 10 1.792 -5.595 3.329
103 1HE LYS 10 HE2 LYS 10 2.126 -6.126 5.680
104 2HE LYS 10 HE1 LYS 10 0.496 -5.566 6.053
105 1HZ LYS 10 HZ1 LYS 10 0.011 -7.732 5.808
106 2HZ LYS 10 HZ2 LYS 10 1.368 -8.058 4.852
107 3HZ LYS 10 HZ3 LYS 10 -0.010 -7.366 4.156
108 H SER 11 HN SER 11 -0.384 -2.481 0.865
109 HA SER 11 HA SER 11 0.570 -4.905 -0.280
110 1HB SER 11 HB2 SER 11 -1.347 -4.779 -1.730
111 2HB SER 11 HB1 SER 11 -1.848 -4.222 -0.134
112 HG SER 11 HG SER 11 -1.250 -2.650 -2.414
113 H PHE 12 HN PHE 12 0.749 -1.517 -1.180
114 HA PHE 12 HA PHE 12 1.599 -1.821 -3.835
115 1HB PHE 12 HB2 PHE 12 1.084 0.307 -2.153
116 2HB PHE 12 HB1 PHE 12 2.815 0.446 -2.441
117 HD1 PHE 12 HD1 PHE 12 -0.478 0.910 -3.797
118 HD2 PHE 12 HD2 PHE 12 3.645 0.597 -4.800
119 HE1 PHE 12 HE1 PHE 12 -0.933 1.961 -5.974
120 HE2 PHE 12 HE2 PHE 12 3.199 1.649 -6.979
121 HZ PHE 12 HZ PHE 12 0.908 2.332 -7.568
122 H SER 13 HN SER 13 3.259 -2.314 -0.847
123 HA SER 13 HA SER 13 5.906 -1.886 -1.547
124 1HB SER 13 HB2 SER 13 4.659 -2.809 0.677
125 2HB SER 13 HB1 SER 13 5.394 -4.299 0.086
126 HG SER 13 HG SER 13 7.382 -2.962 -0.071
127 H LYS 14 HN LYS 14 3.919 -4.787 -2.025
128 HA LYS 14 HA LYS 14 5.935 -6.413 -3.114
129 1HB LYS 14 HB2 LYS 14 2.992 -6.526 -3.782
130 2HB LYS 14 HB1 LYS 14 4.156 -7.839 -3.893
131 1HG LYS 14 HG2 LYS 14 4.440 -7.721 -1.430
132 2HG LYS 14 HG1 LYS 14 3.146 -6.522 -1.383
133 1HD LYS 14 HD2 LYS 14 1.815 -8.313 -1.086
134 2HD LYS 14 HD1 LYS 14 1.977 -8.496 -2.834
135 1HE LYS 14 HE2 LYS 14 3.715 -9.833 -0.762
136 2HE LYS 14 HE1 LYS 14 2.389 -10.602 -1.633
137 1HZ LYS 14 HZ1 LYS 14 4.976 -9.652 -2.706
138 2HZ LYS 14 HZ2 LYS 14 3.655 -9.963 -3.716
139 3HZ LYS 14 HZ3 LYS 14 4.314 -11.208 -2.780
140 H ILE 15 HN ILE 15 3.898 -3.947 -4.517
141 HA ILE 15 HA ILE 15 4.639 -4.616 -7.235
142 HB ILE 15 HB ILE 15 3.218 -2.126 -6.303
143 1HG1 ILE 15 HG12 ILE 15 2.018 -4.790 -7.095
144 2HG1 ILE 15 HG11 ILE 15 2.047 -4.127 -5.464
145 1HG2 ILE 15 HG21 ILE 15 2.596 -3.376 -8.891
146 2HG2 ILE 15 HG22 ILE 15 4.218 -2.699 -8.746
147 3HG2 ILE 15 HG23 ILE 15 2.808 -1.677 -8.470
148 1HD1 ILE 15 HD11 ILE 15 0.239 -3.585 -7.668
149 2HD1 ILE 15 HD12 ILE 15 0.872 -2.120 -6.918
150 3HD1 ILE 15 HD13 ILE 15 0.033 -3.321 -5.937
151 H GLN 16 HN GLN 16 5.689 -2.462 -4.719
152 HA GLN 16 HA GLN 16 6.991 -0.486 -6.166
153 1HB GLN 16 HB2 GLN 16 6.687 -0.451 -3.717
154 2HB GLN 16 HB1 GLN 16 7.882 -1.731 -3.559
155 1HG GLN 16 HG2 GLN 16 9.551 -0.280 -3.603
156 2HG GLN 16 HG1 GLN 16 8.944 0.467 -5.080
157 1HE2 GLN 16 HE21 GLN 16 8.039 2.425 -4.968
158 2HE2 GLN 16 HE22 GLN 16 7.719 3.287 -3.506
159 H ASN 17 HN ASN 17 7.923 -3.791 -5.552
160 HA ASN 17 HA ASN 17 10.646 -3.462 -6.393
161 1HB ASN 17 HB2 ASN 17 9.327 -5.381 -4.968
162 2HB ASN 17 HB1 ASN 17 9.485 -6.166 -6.536
163 1HD2 ASN 17 HD21 ASN 17 10.768 -6.588 -3.857
164 2HD2 ASN 17 HD22 ASN 17 12.463 -6.619 -4.191
165 H ASP 18 HN ASP 18 7.615 -4.287 -7.916
166 HA ASP 18 HA ASP 18 8.608 -5.413 -10.291
167 1HB ASP 18 HB2 ASP 18 6.037 -4.109 -9.492
168 2HB ASP 18 HB1 ASP 18 6.335 -4.426 -11.199
169 H LYS 19 HN LYS 19 9.087 -4.543 -12.292
170 HA LYS 19 HA LYS 19 9.864 -1.727 -12.248
171 1HB LYS 19 HB2 LYS 19 11.191 -2.246 -14.225
172 2HB LYS 19 HB1 LYS 19 11.544 -3.385 -12.933
173 1HG LYS 19 HG2 LYS 19 9.628 -4.753 -14.206
174 2HG LYS 19 HG1 LYS 19 10.278 -3.826 -15.560
175 1HD LYS 19 HD2 LYS 19 12.576 -4.613 -14.756
176 2HD LYS 19 HD1 LYS 19 11.694 -5.784 -13.774
177 1HE LYS 19 HE2 LYS 19 10.847 -5.654 -16.580
178 2HE LYS 19 HE1 LYS 19 12.508 -6.195 -16.340
179 1HZ LYS 19 HZ1 LYS 19 11.498 -8.175 -16.089
180 2HZ LYS 19 HZ2 LYS 19 10.012 -7.504 -15.638
181 3HZ LYS 19 HZ3 LYS 19 11.255 -7.643 -14.501
182 1HN NH2 20 NH1 NH2 20 9.278 -0.277 -13.879
183 2HN NH2 20 NH2 NH2 20 7.873 -0.510 -14.855
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 -10.968 3.407 7.890
2 2H ALA 1 HT2 ALA 1 -12.183 4.394 7.185
3 3H ALA 1 HT3 ALA 1 -12.404 3.750 8.761
4 HA ALA 1 HA ALA 1 -11.829 5.880 9.178
5 1HB ALA 1 HB1 ALA 1 -9.217 5.652 9.660
6 2HB ALA 1 HB2 ALA 1 -9.591 3.953 9.375
7 3HB ALA 1 HB3 ALA 1 -10.439 4.842 10.639
8 H LYS 2 HN LYS 2 -9.774 7.470 8.934
9 HA LYS 2 HA LYS 2 -9.661 8.044 6.063
10 1HB LYS 2 HB2 LYS 2 -10.116 9.650 8.326
11 2HB LYS 2 HB1 LYS 2 -8.528 10.113 7.730
12 1HG LYS 2 HG2 LYS 2 -9.919 10.062 5.419
13 2HG LYS 2 HG1 LYS 2 -11.189 10.525 6.553
14 1HD LYS 2 HD2 LYS 2 -9.071 12.101 7.326
15 2HD LYS 2 HD1 LYS 2 -8.902 12.052 5.571
16 1HE LYS 2 HE2 LYS 2 -10.411 13.702 5.550
17 2HE LYS 2 HE1 LYS 2 -11.596 12.444 5.899
18 1HZ LYS 2 HZ1 LYS 2 -10.718 12.998 8.350
19 2HZ LYS 2 HZ2 LYS 2 -12.047 13.768 7.641
20 3HZ LYS 2 HZ3 LYS 2 -10.530 14.516 7.628
21 H LYS 3 HN LYS 3 -7.948 6.057 7.513
22 HA LYS 3 HA LYS 3 -5.399 7.006 6.435
23 1HB LYS 3 HB2 LYS 3 -4.155 6.378 8.433
24 2HB LYS 3 HB1 LYS 3 -5.348 7.608 8.827
25 1HG LYS 3 HG2 LYS 3 -6.843 5.789 9.650
26 2HG LYS 3 HG1 LYS 3 -5.505 4.663 9.415
27 1HD LYS 3 HD2 LYS 3 -5.089 5.175 11.582
28 2HD LYS 3 HD1 LYS 3 -4.252 6.547 10.855
29 1HE LYS 3 HE2 LYS 3 -7.154 6.670 11.620
30 2HE LYS 3 HE1 LYS 3 -5.869 7.032 12.771
31 1HZ LYS 3 HZ1 LYS 3 -6.144 9.098 11.963
32 2HZ LYS 3 HZ2 LYS 3 -6.812 8.575 10.500
33 3HZ LYS 3 HZ3 LYS 3 -5.135 8.553 10.718
34 H VAL 4 HN VAL 4 -7.581 4.830 6.020
35 HA VAL 4 HA VAL 4 -6.397 2.316 6.436
36 HB VAL 4 HB VAL 4 -8.729 2.545 5.679
37 1HG1 VAL 4 HG11 VAL 4 -9.374 3.360 3.608
38 2HG1 VAL 4 HG12 VAL 4 -7.769 3.143 2.909
39 3HG1 VAL 4 HG13 VAL 4 -8.062 4.449 4.058
40 1HG2 VAL 4 HG21 VAL 4 -8.527 0.449 4.976
41 2HG2 VAL 4 HG22 VAL 4 -6.809 0.707 4.671
42 3HG2 VAL 4 HG23 VAL 4 -7.989 1.024 3.399
43 H PHE 5 HN PHE 5 -5.630 4.920 4.452
44 HA PHE 5 HA PHE 5 -4.392 4.051 2.226
45 1HB PHE 5 HB2 PHE 5 -4.594 6.411 3.213
46 2HB PHE 5 HB1 PHE 5 -3.116 6.038 4.087
47 HD1 PHE 5 HD1 PHE 5 -4.325 5.589 0.578
48 HD2 PHE 5 HD2 PHE 5 -1.251 6.993 3.164
49 HE1 PHE 5 HE1 PHE 5 -3.000 6.278 -1.378
50 HE2 PHE 5 HE2 PHE 5 0.079 7.685 1.213
51 HZ PHE 5 HZ PHE 5 -0.795 7.328 -1.061
52 H LYS 6 HN LYS 6 -3.346 3.668 5.490
53 HA LYS 6 HA LYS 6 -0.665 2.974 5.078
54 1HB LYS 6 HB2 LYS 6 -2.374 3.167 7.270
55 2HB LYS 6 HB1 LYS 6 -1.908 1.472 7.243
56 1HG LYS 6 HG2 LYS 6 0.489 2.279 7.086
57 2HG LYS 6 HG1 LYS 6 -0.135 3.883 7.476
58 1HD LYS 6 HD2 LYS 6 -0.056 3.346 9.632
59 2HD LYS 6 HD1 LYS 6 -1.278 2.108 9.340
60 1HE LYS 6 HE2 LYS 6 0.219 0.432 9.436
61 2HE LYS 6 HE1 LYS 6 1.450 1.349 8.569
62 1HZ LYS 6 HZ1 LYS 6 0.986 1.107 11.425
63 2HZ LYS 6 HZ2 LYS 6 1.402 2.655 10.884
64 3HZ LYS 6 HZ3 LYS 6 2.431 1.348 10.578
65 H ARG 7 HN ARG 7 -3.596 0.966 5.214
66 HA ARG 7 HA ARG 7 -2.279 -1.501 4.813
67 1HB ARG 7 HB2 ARG 7 -5.073 -0.517 4.614
68 2HB ARG 7 HB1 ARG 7 -4.693 -1.991 3.733
69 1HG ARG 7 HG2 ARG 7 -4.326 -3.202 5.633
70 2HG ARG 7 HG1 ARG 7 -3.847 -1.788 6.574
71 1HD ARG 7 HD2 ARG 7 -6.159 -1.036 6.652
72 2HD ARG 7 HD1 ARG 7 -6.654 -2.405 5.658
73 HE ARG 7 HE ARG 7 -6.616 -3.720 7.525
74 1HH1 ARG 7 HH11 ARG 7 -4.809 -0.807 8.178
75 2HH1 ARG 7 HH12 ARG 7 -4.598 -1.166 9.859
76 1HH2 ARG 7 HH21 ARG 7 -6.339 -4.194 9.735
77 2HH2 ARG 7 HH22 ARG 7 -5.466 -3.089 10.743
78 H LEU 8 HN LEU 8 -3.703 0.849 2.593
79 HA LEU 8 HA LEU 8 -3.220 -0.636 0.229
80 1HB LEU 8 HB2 LEU 8 -3.876 2.198 0.876
81 2HB LEU 8 HB1 LEU 8 -3.218 1.858 -0.714
82 HG LEU 8 HG LEU 8 -5.508 0.196 0.197
83 1HD1 LEU 8 HD11 LEU 8 -5.832 3.031 -0.776
84 2HD1 LEU 8 HD12 LEU 8 -6.155 2.468 0.865
85 3HD1 LEU 8 HD13 LEU 8 -7.126 1.870 -0.481
86 1HD2 LEU 8 HD21 LEU 8 -4.144 0.185 -2.055
87 2HD2 LEU 8 HD22 LEU 8 -5.244 1.501 -2.464
88 3HD2 LEU 8 HD23 LEU 8 -5.886 -0.086 -2.042
89 H GLU 9 HN GLU 9 -1.376 1.737 2.073
90 HA GLU 9 HA GLU 9 0.752 2.036 0.245
91 1HB GLU 9 HB2 GLU 9 0.150 2.822 2.973
92 2HB GLU 9 HB1 GLU 9 1.835 2.350 2.808
93 1HG GLU 9 HG2 GLU 9 0.803 4.131 0.708
94 2HG GLU 9 HG1 GLU 9 0.901 4.825 2.326
95 H LYS 10 HN LYS 10 -0.054 -0.428 2.575
96 HA LYS 10 HA LYS 10 2.533 -1.611 2.732
97 1HB LYS 10 HB2 LYS 10 -0.243 -2.566 3.391
98 2HB LYS 10 HB1 LYS 10 1.138 -3.649 3.495
99 1HG LYS 10 HG2 LYS 10 1.084 -1.012 4.922
100 2HG LYS 10 HG1 LYS 10 0.395 -2.477 5.626
101 1HD LYS 10 HD2 LYS 10 3.101 -2.802 4.539
102 2HD LYS 10 HD1 LYS 10 2.989 -1.683 5.899
103 1HE LYS 10 HE2 LYS 10 1.465 -4.141 6.292
104 2HE LYS 10 HE1 LYS 10 3.192 -4.419 6.074
105 1HZ LYS 10 HZ1 LYS 10 2.088 -3.826 8.414
106 2HZ LYS 10 HZ2 LYS 10 2.472 -2.266 7.886
107 3HZ LYS 10 HZ3 LYS 10 3.686 -3.435 8.021
108 H SER 11 HN SER 11 -0.323 -2.165 0.729
109 HA SER 11 HA SER 11 0.729 -4.431 -0.633
110 1HB SER 11 HB2 SER 11 -1.637 -4.188 -0.643
111 2HB SER 11 HB1 SER 11 -1.538 -2.532 -1.243
112 HG SER 11 HG SER 11 -1.915 -3.576 -3.064
113 H PHE 12 HN PHE 12 0.890 -0.974 -1.127
114 HA PHE 12 HA PHE 12 1.714 -0.907 -3.796
115 1HB PHE 12 HB2 PHE 12 1.075 1.036 -2.225
116 2HB PHE 12 HB1 PHE 12 2.759 1.000 -1.715
117 HD1 PHE 12 HD1 PHE 12 4.280 2.313 -2.832
118 HD2 PHE 12 HD2 PHE 12 0.705 1.143 -4.822
119 HE1 PHE 12 HE1 PHE 12 4.892 3.723 -4.753
120 HE2 PHE 12 HE2 PHE 12 1.311 2.551 -6.747
121 HZ PHE 12 HZ PHE 12 3.408 3.843 -6.714
122 H SER 13 HN SER 13 3.476 -1.633 -0.868
123 HA SER 13 HA SER 13 6.094 -1.306 -1.794
124 1HB SER 13 HB2 SER 13 5.096 -1.931 0.591
125 2HB SER 13 HB1 SER 13 5.487 -3.566 0.058
126 HG SER 13 HG SER 13 7.149 -2.132 1.205
127 H LYS 14 HN LYS 14 3.831 -3.971 -2.154
128 HA LYS 14 HA LYS 14 5.661 -5.868 -3.169
129 1HB LYS 14 HB2 LYS 14 2.689 -5.563 -3.201
130 2HB LYS 14 HB1 LYS 14 3.426 -6.756 -4.262
131 1HG LYS 14 HG2 LYS 14 4.607 -7.102 -1.733
132 2HG LYS 14 HG1 LYS 14 2.872 -6.920 -1.464
133 1HD LYS 14 HD2 LYS 14 3.020 -9.185 -1.828
134 2HD LYS 14 HD1 LYS 14 2.696 -8.607 -3.463
135 1HE LYS 14 HE2 LYS 14 5.498 -8.517 -3.069
136 2HE LYS 14 HE1 LYS 14 4.935 -10.085 -2.492
137 1HZ LYS 14 HZ1 LYS 14 4.730 -8.931 -5.197
138 2HZ LYS 14 HZ2 LYS 14 3.662 -10.146 -4.704
139 3HZ LYS 14 HZ3 LYS 14 5.327 -10.443 -4.727
140 H ILE 15 HN ILE 15 3.910 -3.228 -4.632
141 HA ILE 15 HA ILE 15 4.360 -4.062 -7.338
142 HB ILE 15 HB ILE 15 3.682 -1.282 -6.385
143 1HG1 ILE 15 HG12 ILE 15 1.772 -3.507 -7.130
144 2HG1 ILE 15 HG11 ILE 15 2.117 -3.006 -5.478
145 1HG2 ILE 15 HG21 ILE 15 3.802 -2.643 -9.000
146 2HG2 ILE 15 HG22 ILE 15 4.053 -0.947 -8.588
147 3HG2 ILE 15 HG23 ILE 15 2.416 -1.586 -8.733
148 1HD1 ILE 15 HD11 ILE 15 0.550 -1.634 -7.592
149 2HD1 ILE 15 HD12 ILE 15 1.394 -0.653 -6.394
150 3HD1 ILE 15 HD13 ILE 15 0.200 -1.844 -5.877
151 H GLN 16 HN GLN 16 6.063 -2.118 -4.994
152 HA GLN 16 HA GLN 16 7.755 -0.680 -6.695
153 1HB GLN 16 HB2 GLN 16 7.449 -0.393 -4.189
154 2HB GLN 16 HB1 GLN 16 8.545 -1.754 -3.988
155 1HG GLN 16 HG2 GLN 16 9.764 0.086 -5.764
156 2HG GLN 16 HG1 GLN 16 9.161 0.987 -4.374
157 1HE2 GLN 16 HE21 GLN 16 9.876 0.360 -2.273
158 2HE2 GLN 16 HE22 GLN 16 11.394 -0.439 -2.068
159 H ASN 17 HN ASN 17 7.857 -3.997 -5.612
160 HA ASN 17 HA ASN 17 10.551 -4.517 -6.363
161 1HB ASN 17 HB2 ASN 17 8.249 -6.457 -6.056
162 2HB ASN 17 HB1 ASN 17 9.959 -6.879 -6.103
163 1HD2 ASN 17 HD21 ASN 17 8.544 -7.731 -4.012
164 2HD2 ASN 17 HD22 ASN 17 8.940 -6.839 -2.586
165 H ASP 18 HN ASP 18 7.426 -5.071 -7.953
166 HA ASP 18 HA ASP 18 8.474 -6.294 -10.270
167 1HB ASP 18 HB2 ASP 18 5.967 -5.900 -9.289
168 2HB ASP 18 HB1 ASP 18 5.998 -4.721 -10.596
169 H LYS 19 HN LYS 19 9.325 -5.487 -12.096
170 HA LYS 19 HA LYS 19 9.778 -2.607 -12.216
171 1HB LYS 19 HB2 LYS 19 11.157 -4.999 -13.208
172 2HB LYS 19 HB1 LYS 19 11.110 -3.677 -14.366
173 1HG LYS 19 HG2 LYS 19 12.039 -2.191 -12.586
174 2HG LYS 19 HG1 LYS 19 12.251 -3.628 -11.585
175 1HD LYS 19 HD2 LYS 19 13.673 -4.609 -13.349
176 2HD LYS 19 HD1 LYS 19 13.504 -3.121 -14.283
177 1HE LYS 19 HE2 LYS 19 14.953 -1.986 -12.980
178 2HE LYS 19 HE1 LYS 19 14.394 -2.767 -11.502
179 1HZ LYS 19 HZ1 LYS 19 16.121 -4.092 -13.519
180 2HZ LYS 19 HZ2 LYS 19 15.712 -4.675 -11.985
181 3HZ LYS 19 HZ3 LYS 19 16.711 -3.319 -12.134
182 1HN NH2 20 NH1 NH2 20 8.648 -1.327 -13.491
183 2HN NH2 20 NH2 NH2 20 7.702 -1.811 -14.854
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 -11.287 3.330 11.058
2 2H ALA 1 HT2 ALA 1 -10.043 2.898 9.957
3 3H ALA 1 HT3 ALA 1 -11.529 3.528 9.372
4 HA ALA 1 HA ALA 1 -11.000 5.547 10.741
5 1HB ALA 1 HB1 ALA 1 -8.648 5.942 11.159
6 2HB ALA 1 HB2 ALA 1 -8.242 4.349 10.518
7 3HB ALA 1 HB3 ALA 1 -9.176 4.489 12.007
8 H LYS 2 HN LYS 2 -9.326 7.190 9.630
9 HA LYS 2 HA LYS 2 -9.832 6.906 6.760
10 1HB LYS 2 HB2 LYS 2 -9.386 9.332 6.658
11 2HB LYS 2 HB1 LYS 2 -10.683 8.937 7.776
12 1HG LYS 2 HG2 LYS 2 -9.557 9.700 9.559
13 2HG LYS 2 HG1 LYS 2 -8.012 9.071 8.983
14 1HD LYS 2 HD2 LYS 2 -7.521 11.242 8.648
15 2HD LYS 2 HD1 LYS 2 -8.473 11.041 7.176
16 1HE LYS 2 HE2 LYS 2 -10.424 11.579 8.974
17 2HE LYS 2 HE1 LYS 2 -9.090 12.513 9.649
18 1HZ LYS 2 HZ1 LYS 2 -9.829 14.049 8.205
19 2HZ LYS 2 HZ2 LYS 2 -10.582 12.921 7.194
20 3HZ LYS 2 HZ3 LYS 2 -8.914 13.178 7.079
21 H LYS 3 HN LYS 3 -7.634 5.526 8.161
22 HA LYS 3 HA LYS 3 -5.393 6.665 6.611
23 1HB LYS 3 HB2 LYS 3 -3.905 5.676 8.424
24 2HB LYS 3 HB1 LYS 3 -4.821 7.111 8.864
25 1HG LYS 3 HG2 LYS 3 -4.938 5.611 10.692
26 2HG LYS 3 HG1 LYS 3 -6.520 5.601 9.909
27 1HD LYS 3 HD2 LYS 3 -6.306 3.455 9.202
28 2HD LYS 3 HD1 LYS 3 -4.564 3.596 8.960
29 1HE LYS 3 HE2 LYS 3 -4.094 2.879 11.038
30 2HE LYS 3 HE1 LYS 3 -5.424 3.786 11.757
31 1HZ LYS 3 HZ1 LYS 3 -5.542 1.132 10.444
32 2HZ LYS 3 HZ2 LYS 3 -6.925 2.037 10.805
33 3HZ LYS 3 HZ3 LYS 3 -5.909 1.513 12.052
34 H VAL 4 HN VAL 4 -7.464 4.395 6.234
35 HA VAL 4 HA VAL 4 -6.111 1.938 6.260
36 HB VAL 4 HB VAL 4 -8.519 2.085 5.780
37 1HG1 VAL 4 HG11 VAL 4 -9.436 3.049 3.884
38 2HG1 VAL 4 HG12 VAL 4 -7.910 3.005 2.999
39 3HG1 VAL 4 HG13 VAL 4 -8.143 4.175 4.299
40 1HG2 VAL 4 HG21 VAL 4 -6.924 0.849 3.537
41 2HG2 VAL 4 HG22 VAL 4 -8.606 0.481 3.918
42 3HG2 VAL 4 HG23 VAL 4 -7.334 0.087 5.074
43 H PHE 5 HN PHE 5 -5.703 4.759 4.475
44 HA PHE 5 HA PHE 5 -4.681 4.184 2.055
45 1HB PHE 5 HB2 PHE 5 -4.885 6.423 3.283
46 2HB PHE 5 HB1 PHE 5 -3.310 6.055 3.970
47 HD1 PHE 5 HD1 PHE 5 -5.058 7.436 1.194
48 HD2 PHE 5 HD2 PHE 5 -1.378 5.637 2.348
49 HE1 PHE 5 HE1 PHE 5 -3.972 8.389 -0.798
50 HE2 PHE 5 HE2 PHE 5 -0.285 6.588 0.359
51 HZ PHE 5 HZ PHE 5 -1.582 7.966 -1.217
52 H LYS 6 HN LYS 6 -3.237 3.584 5.133
53 HA LYS 6 HA LYS 6 -0.597 3.074 4.359
54 1HB LYS 6 HB2 LYS 6 -2.000 3.017 6.739
55 2HB LYS 6 HB1 LYS 6 -1.574 1.328 6.500
56 1HG LYS 6 HG2 LYS 6 0.338 3.653 6.563
57 2HG LYS 6 HG1 LYS 6 0.101 2.453 7.835
58 1HD LYS 6 HD2 LYS 6 1.871 1.461 6.837
59 2HD LYS 6 HD1 LYS 6 0.626 0.826 5.759
60 1HE LYS 6 HE2 LYS 6 1.196 2.239 4.045
61 2HE LYS 6 HE1 LYS 6 1.835 3.472 5.132
62 1HZ LYS 6 HZ1 LYS 6 3.255 0.931 5.066
63 2HZ LYS 6 HZ2 LYS 6 3.859 2.506 5.185
64 3HZ LYS 6 HZ3 LYS 6 3.380 1.896 3.682
65 H ARG 7 HN ARG 7 -3.397 0.907 4.629
66 HA ARG 7 HA ARG 7 -2.077 -1.458 3.883
67 1HB ARG 7 HB2 ARG 7 -4.716 -0.694 4.482
68 2HB ARG 7 HB1 ARG 7 -4.778 -1.368 2.860
69 1HG ARG 7 HG2 ARG 7 -5.212 -3.108 4.447
70 2HG ARG 7 HG1 ARG 7 -3.638 -3.395 3.701
71 1HD ARG 7 HD2 ARG 7 -2.518 -2.474 5.643
72 2HD ARG 7 HD1 ARG 7 -4.070 -2.073 6.377
73 HE ARG 7 HE ARG 7 -4.268 -4.248 7.053
74 1HH1 ARG 7 HH11 ARG 7 -1.811 -4.064 4.581
75 2HH1 ARG 7 HH12 ARG 7 -1.308 -5.708 4.783
76 1HH2 ARG 7 HH21 ARG 7 -3.607 -6.411 7.320
77 2HH2 ARG 7 HH22 ARG 7 -2.328 -7.042 6.337
78 H LEU 8 HN LEU 8 -3.745 1.017 1.980
79 HA LEU 8 HA LEU 8 -3.392 -0.205 -0.539
80 1HB LEU 8 HB2 LEU 8 -3.997 2.557 0.413
81 2HB LEU 8 HB1 LEU 8 -3.490 2.348 -1.253
82 HG LEU 8 HG LEU 8 -5.525 0.427 -0.712
83 1HD1 LEU 8 HD11 LEU 8 -7.366 2.189 -0.347
84 2HD1 LEU 8 HD12 LEU 8 -6.072 3.183 0.322
85 3HD1 LEU 8 HD13 LEU 8 -6.451 1.623 1.050
86 1HD2 LEU 8 HD21 LEU 8 -5.611 2.953 -2.357
87 2HD2 LEU 8 HD22 LEU 8 -6.653 1.541 -2.536
88 3HD2 LEU 8 HD23 LEU 8 -4.930 1.417 -2.893
89 H GLU 9 HN GLU 9 -1.492 2.187 1.272
90 HA GLU 9 HA GLU 9 0.516 2.519 -0.689
91 1HB GLU 9 HB2 GLU 9 -0.033 3.520 1.901
92 2HB GLU 9 HB1 GLU 9 1.582 2.827 1.967
93 1HG GLU 9 HG2 GLU 9 2.278 4.206 0.100
94 2HG GLU 9 HG1 GLU 9 0.649 4.865 -0.042
95 H LYS 10 HN LYS 10 -0.090 0.097 1.735
96 HA LYS 10 HA LYS 10 2.524 -1.039 1.757
97 1HB LYS 10 HB2 LYS 10 0.691 -1.357 3.502
98 2HB LYS 10 HB1 LYS 10 -0.050 -2.487 2.377
99 1HG LYS 10 HG2 LYS 10 1.306 -4.115 3.021
100 2HG LYS 10 HG1 LYS 10 2.731 -3.117 2.727
101 1HD LYS 10 HD2 LYS 10 3.031 -3.253 4.949
102 2HD LYS 10 HD1 LYS 10 1.759 -2.033 5.035
103 1HE LYS 10 HE2 LYS 10 0.633 -3.478 6.306
104 2HE LYS 10 HE1 LYS 10 0.371 -4.416 4.837
105 1HZ LYS 10 HZ1 LYS 10 2.228 -5.774 5.325
106 2HZ LYS 10 HZ2 LYS 10 1.327 -5.674 6.753
107 3HZ LYS 10 HZ3 LYS 10 2.743 -4.764 6.582
108 H SER 11 HN SER 11 -0.390 -1.526 -0.131
109 HA SER 11 HA SER 11 0.484 -3.875 -1.474
110 1HB SER 11 HB2 SER 11 -1.554 -1.864 -2.449
111 2HB SER 11 HB1 SER 11 -1.423 -3.560 -2.912
112 HG SER 11 HG SER 11 -2.265 -2.453 -0.458
113 H PHE 12 HN PHE 12 0.579 -0.416 -2.244
114 HA PHE 12 HA PHE 12 1.589 -0.671 -4.858
115 1HB PHE 12 HB2 PHE 12 0.622 1.419 -3.891
116 2HB PHE 12 HB1 PHE 12 2.080 1.601 -2.921
117 HD1 PHE 12 HD1 PHE 12 3.477 3.232 -3.703
118 HD2 PHE 12 HD2 PHE 12 1.349 0.836 -6.504
119 HE1 PHE 12 HE1 PHE 12 4.557 4.442 -5.553
120 HE2 PHE 12 HE2 PHE 12 2.426 2.042 -8.359
121 HZ PHE 12 HZ PHE 12 4.033 3.847 -7.885
122 H SER 13 HN SER 13 3.233 -0.296 -1.738
123 HA SER 13 HA SER 13 5.853 -0.133 -2.703
124 1HB SER 13 HB2 SER 13 4.702 -1.114 -0.095
125 2HB SER 13 HB1 SER 13 6.440 -1.108 -0.396
126 HG SER 13 HG SER 13 6.148 1.184 -0.909
127 H LYS 14 HN LYS 14 3.734 -2.861 -2.220
128 HA LYS 14 HA LYS 14 5.713 -4.889 -2.380
129 1HB LYS 14 HB2 LYS 14 2.972 -4.790 -1.888
130 2HB LYS 14 HB1 LYS 14 3.105 -5.691 -3.392
131 1HG LYS 14 HG2 LYS 14 4.006 -7.482 -2.389
132 2HG LYS 14 HG1 LYS 14 4.995 -6.505 -1.301
133 1HD LYS 14 HD2 LYS 14 3.372 -6.401 0.303
134 2HD LYS 14 HD1 LYS 14 2.056 -6.513 -0.867
135 1HE LYS 14 HE2 LYS 14 3.179 -8.940 -1.184
136 2HE LYS 14 HE1 LYS 14 3.565 -8.644 0.511
137 1HZ LYS 14 HZ1 LYS 14 1.003 -7.933 0.454
138 2HZ LYS 14 HZ2 LYS 14 1.524 -9.502 0.814
139 3HZ LYS 14 HZ3 LYS 14 0.995 -9.125 -0.747
140 H ILE 15 HN ILE 15 3.777 -3.161 -4.751
141 HA ILE 15 HA ILE 15 4.485 -4.819 -6.963
142 HB ILE 15 HB ILE 15 3.543 -1.957 -7.060
143 1HG1 ILE 15 HG12 ILE 15 2.122 -3.579 -5.666
144 2HG1 ILE 15 HG11 ILE 15 1.308 -2.690 -6.943
145 1HG2 ILE 15 HG21 ILE 15 4.006 -4.060 -9.047
146 2HG2 ILE 15 HG22 ILE 15 3.945 -2.308 -9.238
147 3HG2 ILE 15 HG23 ILE 15 2.450 -3.243 -9.192
148 1HD1 ILE 15 HD11 ILE 15 2.379 -5.414 -7.502
149 2HD1 ILE 15 HD12 ILE 15 1.024 -4.562 -8.244
150 3HD1 ILE 15 HD13 ILE 15 0.864 -5.227 -6.619
151 H GLN 16 HN GLN 16 5.884 -2.011 -5.427
152 HA GLN 16 HA GLN 16 7.570 -1.137 -7.485
153 1HB GLN 16 HB2 GLN 16 7.415 -0.799 -4.560
154 2HB GLN 16 HB1 GLN 16 9.017 -0.574 -5.246
155 1HG GLN 16 HG2 GLN 16 7.931 1.020 -6.890
156 2HG GLN 16 HG1 GLN 16 6.504 0.945 -5.858
157 1HE2 GLN 16 HE21 GLN 16 9.997 1.157 -5.259
158 2HE2 GLN 16 HE22 GLN 16 9.909 2.536 -4.223
159 H ASN 17 HN ASN 17 7.894 -3.750 -5.174
160 HA ASN 17 HA ASN 17 10.657 -4.258 -5.748
161 1HB ASN 17 HB2 ASN 17 9.283 -4.875 -3.622
162 2HB ASN 17 HB1 ASN 17 8.802 -6.292 -4.549
163 1HD2 ASN 17 HD21 ASN 17 10.480 -7.704 -5.319
164 2HD2 ASN 17 HD22 ASN 17 11.959 -7.837 -4.438
165 H ASP 18 HN ASP 18 7.566 -5.530 -6.853
166 HA ASP 18 HA ASP 18 8.603 -7.725 -8.308
167 1HB ASP 18 HB2 ASP 18 6.010 -6.283 -8.164
168 2HB ASP 18 HB1 ASP 18 6.308 -7.237 -9.615
169 H LYS 19 HN LYS 19 7.460 -4.533 -9.416
170 HA LYS 19 HA LYS 19 8.796 -4.967 -11.978
171 1HB LYS 19 HB2 LYS 19 6.377 -3.881 -11.421
172 2HB LYS 19 HB1 LYS 19 7.363 -2.427 -11.485
173 1HG LYS 19 HG2 LYS 19 8.076 -2.955 -13.726
174 2HG LYS 19 HG1 LYS 19 7.216 -4.495 -13.668
175 1HD LYS 19 HD2 LYS 19 5.561 -3.343 -14.666
176 2HD LYS 19 HD1 LYS 19 5.226 -2.762 -13.034
177 1HE LYS 19 HE2 LYS 19 5.339 -0.949 -14.719
178 2HE LYS 19 HE1 LYS 19 6.518 -0.772 -13.420
179 1HZ LYS 19 HZ1 LYS 19 7.344 -2.172 -15.856
180 2HZ LYS 19 HZ2 LYS 19 8.252 -1.204 -14.809
181 3HZ LYS 19 HZ3 LYS 19 7.197 -0.487 -15.919
182 1HN NH2 20 NH1 NH2 20 10.577 -4.710 -9.934
183 2HN NH2 20 NH2 NH2 20 11.401 -3.196 -10.043
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 -12.395 4.189 8.108
2 2H ALA 1 HT2 ALA 1 -11.963 3.785 9.720
3 3H ALA 1 HT3 ALA 1 -10.854 3.514 8.438
4 HA ALA 1 HA ALA 1 -11.856 6.127 9.345
5 1HB ALA 1 HB1 ALA 1 -10.300 4.891 10.899
6 2HB ALA 1 HB2 ALA 1 -9.742 6.473 10.352
7 3HB ALA 1 HB3 ALA 1 -9.079 5.006 9.632
8 H LYS 2 HN LYS 2 -9.898 7.702 8.608
9 HA LYS 2 HA LYS 2 -9.831 7.418 5.692
10 1HB LYS 2 HB2 LYS 2 -10.271 9.617 7.468
11 2HB LYS 2 HB1 LYS 2 -8.845 9.958 6.499
12 1HG LYS 2 HG2 LYS 2 -10.190 10.617 4.872
13 2HG LYS 2 HG1 LYS 2 -10.728 8.945 4.704
14 1HD LYS 2 HD2 LYS 2 -12.631 9.292 5.975
15 2HD LYS 2 HD1 LYS 2 -11.950 10.699 6.794
16 1HE LYS 2 HE2 LYS 2 -12.458 12.119 5.074
17 2HE LYS 2 HE1 LYS 2 -12.358 10.851 3.854
18 1HZ LYS 2 HZ1 LYS 2 -14.631 11.806 5.281
19 2HZ LYS 2 HZ2 LYS 2 -14.467 10.131 5.452
20 3HZ LYS 2 HZ3 LYS 2 -14.563 10.817 3.910
21 H LYS 3 HN LYS 3 -8.016 5.955 7.443
22 HA LYS 3 HA LYS 3 -5.485 6.977 6.337
23 1HB LYS 3 HB2 LYS 3 -5.840 7.447 8.860
24 2HB LYS 3 HB1 LYS 3 -5.599 5.719 9.072
25 1HG LYS 3 HG2 LYS 3 -3.507 6.718 9.449
26 2HG LYS 3 HG1 LYS 3 -3.413 6.000 7.840
27 1HD LYS 3 HD2 LYS 3 -4.142 8.337 7.011
28 2HD LYS 3 HD1 LYS 3 -3.642 8.887 8.612
29 1HE LYS 3 HE2 LYS 3 -1.415 7.916 8.227
30 2HE LYS 3 HE1 LYS 3 -1.923 7.421 6.613
31 1HZ LYS 3 HZ1 LYS 3 -2.140 9.669 5.950
32 2HZ LYS 3 HZ2 LYS 3 -0.638 9.540 6.717
33 3HZ LYS 3 HZ3 LYS 3 -1.945 10.240 7.531
34 H VAL 4 HN VAL 4 -7.561 4.648 5.933
35 HA VAL 4 HA VAL 4 -6.212 2.229 6.375
36 HB VAL 4 HB VAL 4 -8.550 2.283 5.619
37 1HG1 VAL 4 HG11 VAL 4 -7.360 3.755 3.370
38 2HG1 VAL 4 HG12 VAL 4 -8.976 3.857 4.070
39 3HG1 VAL 4 HG13 VAL 4 -8.588 2.569 2.929
40 1HG2 VAL 4 HG21 VAL 4 -8.412 0.277 4.600
41 2HG2 VAL 4 HG22 VAL 4 -6.690 0.444 4.942
42 3HG2 VAL 4 HG23 VAL 4 -7.318 0.869 3.350
43 H PHE 5 HN PHE 5 -5.602 4.850 4.361
44 HA PHE 5 HA PHE 5 -4.327 4.057 2.138
45 1HB PHE 5 HB2 PHE 5 -4.627 6.399 3.122
46 2HB PHE 5 HB1 PHE 5 -3.146 6.088 4.016
47 HD1 PHE 5 HD1 PHE 5 -4.402 5.849 0.506
48 HD2 PHE 5 HD2 PHE 5 -1.192 6.872 3.107
49 HE1 PHE 5 HE1 PHE 5 -3.079 6.600 -1.428
50 HE2 PHE 5 HE2 PHE 5 0.136 7.626 1.178
51 HZ PHE 5 HZ PHE 5 -0.807 7.490 -1.093
52 H LYS 6 HN LYS 6 -3.216 3.736 5.392
53 HA LYS 6 HA LYS 6 -0.518 3.147 4.927
54 1HB LYS 6 HB2 LYS 6 -2.059 3.413 7.158
55 2HB LYS 6 HB1 LYS 6 -1.808 1.672 7.135
56 1HG LYS 6 HG2 LYS 6 0.706 2.434 6.734
57 2HG LYS 6 HG1 LYS 6 0.126 3.867 7.585
58 1HD LYS 6 HD2 LYS 6 -0.798 1.476 8.898
59 2HD LYS 6 HD1 LYS 6 0.955 1.432 8.703
60 1HE LYS 6 HE2 LYS 6 -0.645 3.656 9.966
61 2HE LYS 6 HE1 LYS 6 0.341 2.469 10.819
62 1HZ LYS 6 HZ1 LYS 6 2.249 3.357 9.434
63 2HZ LYS 6 HZ2 LYS 6 1.665 4.371 10.655
64 3HZ LYS 6 HZ3 LYS 6 1.239 4.658 9.044
65 H ARG 7 HN ARG 7 -3.342 1.003 5.218
66 HA ARG 7 HA ARG 7 -1.938 -1.402 4.778
67 1HB ARG 7 HB2 ARG 7 -4.781 -0.543 4.666
68 2HB ARG 7 HB1 ARG 7 -4.364 -2.016 3.801
69 1HG ARG 7 HG2 ARG 7 -3.392 -1.756 6.586
70 2HG ARG 7 HG1 ARG 7 -5.120 -2.019 6.343
71 1HD ARG 7 HD2 ARG 7 -4.760 -4.065 5.240
72 2HD ARG 7 HD1 ARG 7 -3.046 -3.728 5.002
73 HE ARG 7 HE ARG 7 -3.298 -3.778 7.694
74 1HH1 ARG 7 HH11 ARG 7 -4.226 -5.999 5.168
75 2HH1 ARG 7 HH12 ARG 7 -4.050 -7.403 6.165
76 1HH2 ARG 7 HH21 ARG 7 -3.065 -5.624 9.008
77 2HH2 ARG 7 HH22 ARG 7 -3.392 -7.191 8.345
78 H LEU 8 HN LEU 8 -3.510 0.893 2.610
79 HA LEU 8 HA LEU 8 -3.111 -0.575 0.225
80 1HB LEU 8 HB2 LEU 8 -3.903 2.165 0.960
81 2HB LEU 8 HB1 LEU 8 -3.097 2.034 -0.592
82 HG LEU 8 HG LEU 8 -5.288 0.105 -0.095
83 1HD1 LEU 8 HD11 LEU 8 -5.872 2.997 -0.704
84 2HD1 LEU 8 HD12 LEU 8 -6.149 2.229 0.859
85 3HD1 LEU 8 HD13 LEU 8 -7.036 1.679 -0.564
86 1HD2 LEU 8 HD21 LEU 8 -3.769 0.714 -2.228
87 2HD2 LEU 8 HD22 LEU 8 -5.138 1.790 -2.511
88 3HD2 LEU 8 HD23 LEU 8 -5.399 0.053 -2.348
89 H GLU 9 HN GLU 9 -1.225 1.901 1.918
90 HA GLU 9 HA GLU 9 0.827 2.122 -0.007
91 1HB GLU 9 HB2 GLU 9 0.234 3.431 2.298
92 2HB GLU 9 HB1 GLU 9 1.589 2.446 2.831
93 1HG GLU 9 HG2 GLU 9 2.921 3.355 0.948
94 2HG GLU 9 HG1 GLU 9 1.573 4.425 0.566
95 H LYS 10 HN LYS 10 0.145 -0.212 2.484
96 HA LYS 10 HA LYS 10 2.745 -1.370 2.602
97 1HB LYS 10 HB2 LYS 10 0.058 -1.988 3.642
98 2HB LYS 10 HB1 LYS 10 1.068 -3.396 3.344
99 1HG LYS 10 HG2 LYS 10 2.308 -3.005 5.144
100 2HG LYS 10 HG1 LYS 10 2.515 -1.303 4.728
101 1HD LYS 10 HD2 LYS 10 1.388 -1.343 6.810
102 2HD LYS 10 HD1 LYS 10 0.170 -0.936 5.599
103 1HE LYS 10 HE2 LYS 10 -0.963 -2.864 5.902
104 2HE LYS 10 HE1 LYS 10 0.505 -3.810 6.143
105 1HZ LYS 10 HZ1 LYS 10 0.601 -3.222 8.382
106 2HZ LYS 10 HZ2 LYS 10 -1.043 -3.518 8.118
107 3HZ LYS 10 HZ3 LYS 10 -0.474 -1.928 8.201
108 H SER 11 HN SER 11 -0.193 -2.052 0.763
109 HA SER 11 HA SER 11 0.816 -4.383 -0.519
110 1HB SER 11 HB2 SER 11 -1.656 -3.427 -0.253
111 2HB SER 11 HB1 SER 11 -1.291 -2.729 -1.831
112 HG SER 11 HG SER 11 -1.197 -5.471 -1.105
113 H PHE 12 HN PHE 12 0.866 -0.953 -1.254
114 HA PHE 12 HA PHE 12 1.606 -1.074 -3.947
115 1HB PHE 12 HB2 PHE 12 1.229 0.933 -2.048
116 2HB PHE 12 HB1 PHE 12 2.911 1.108 -2.536
117 HD1 PHE 12 HD1 PHE 12 3.491 1.948 -4.672
118 HD2 PHE 12 HD2 PHE 12 -0.571 1.085 -3.741
119 HE1 PHE 12 HE1 PHE 12 2.777 3.130 -6.709
120 HE2 PHE 12 HE2 PHE 12 -1.292 2.265 -5.777
121 HZ PHE 12 HZ PHE 12 0.383 3.288 -7.264
122 H SER 13 HN SER 13 3.496 -1.437 -1.020
123 HA SER 13 HA SER 13 6.063 -1.148 -2.097
124 1HB SER 13 HB2 SER 13 5.061 -2.801 0.228
125 2HB SER 13 HB1 SER 13 6.771 -2.608 -0.157
126 HG SER 13 HG SER 13 6.276 -0.262 -0.038
127 H LYS 14 HN LYS 14 3.857 -3.877 -2.049
128 HA LYS 14 HA LYS 14 5.695 -5.844 -2.909
129 1HB LYS 14 HB2 LYS 14 2.707 -5.616 -2.904
130 2HB LYS 14 HB1 LYS 14 3.478 -6.945 -3.759
131 1HG LYS 14 HG2 LYS 14 3.893 -8.047 -1.873
132 2HG LYS 14 HG1 LYS 14 4.533 -6.608 -1.078
133 1HD LYS 14 HD2 LYS 14 1.983 -5.938 -0.995
134 2HD LYS 14 HD1 LYS 14 1.755 -7.684 -1.124
135 1HE LYS 14 HE2 LYS 14 1.829 -6.814 1.218
136 2HE LYS 14 HE1 LYS 14 3.014 -8.070 0.864
137 1HZ LYS 14 HZ1 LYS 14 4.733 -6.636 1.070
138 2HZ LYS 14 HZ2 LYS 14 3.649 -5.828 2.087
139 3HZ LYS 14 HZ3 LYS 14 3.863 -5.304 0.493
140 H ILE 15 HN ILE 15 3.891 -3.383 -4.571
141 HA ILE 15 HA ILE 15 4.174 -4.518 -7.188
142 HB ILE 15 HB ILE 15 3.612 -1.632 -6.514
143 1HG1 ILE 15 HG12 ILE 15 1.624 -3.883 -6.886
144 2HG1 ILE 15 HG11 ILE 15 2.060 -3.180 -5.332
145 1HG2 ILE 15 HG21 ILE 15 2.391 -2.935 -8.853
146 2HG2 ILE 15 HG22 ILE 15 4.140 -2.721 -8.926
147 3HG2 ILE 15 HG23 ILE 15 3.090 -1.325 -8.683
148 1HD1 ILE 15 HD11 ILE 15 1.185 -1.022 -6.070
149 2HD1 ILE 15 HD12 ILE 15 -0.042 -2.287 -6.133
150 3HD1 ILE 15 HD13 ILE 15 0.737 -1.739 -7.617
151 H GLN 16 HN GLN 16 6.062 -2.403 -5.157
152 HA GLN 16 HA GLN 16 7.674 -1.147 -7.043
153 1HB GLN 16 HB2 GLN 16 7.942 -1.856 -4.175
154 2HB GLN 16 HB1 GLN 16 9.427 -1.462 -5.029
155 1HG GLN 16 HG2 GLN 16 7.247 0.419 -5.516
156 2HG GLN 16 HG1 GLN 16 7.763 0.332 -3.833
157 1HE2 GLN 16 HE21 GLN 16 9.832 0.981 -3.276
158 2HE2 GLN 16 HE22 GLN 16 10.835 1.896 -4.344
159 H ASN 17 HN ASN 17 7.739 -4.421 -5.846
160 HA ASN 17 HA ASN 17 10.346 -5.092 -6.741
161 1HB ASN 17 HB2 ASN 17 8.597 -6.334 -5.139
162 2HB ASN 17 HB1 ASN 17 8.243 -7.195 -6.634
163 1HD2 ASN 17 HD21 ASN 17 10.111 -8.138 -7.765
164 2HD2 ASN 17 HD22 ASN 17 11.398 -8.789 -6.814
165 H ASP 18 HN ASP 18 7.203 -5.020 -8.266
166 HA ASP 18 HA ASP 18 8.002 -6.508 -10.585
167 1HB ASP 18 HB2 ASP 18 5.565 -5.110 -9.659
168 2HB ASP 18 HB1 ASP 18 5.781 -5.189 -11.405
169 H LYS 19 HN LYS 19 7.902 -3.138 -9.656
170 HA LYS 19 HA LYS 19 8.153 -1.969 -12.193
171 1HB LYS 19 HB2 LYS 19 9.275 -0.952 -9.577
172 2HB LYS 19 HB1 LYS 19 8.969 0.006 -11.019
173 1HG LYS 19 HG2 LYS 19 6.727 -1.495 -9.750
174 2HG LYS 19 HG1 LYS 19 7.277 0.025 -9.044
175 1HD LYS 19 HD2 LYS 19 6.091 1.147 -10.553
176 2HD LYS 19 HD1 LYS 19 7.047 0.415 -11.843
177 1HE LYS 19 HE2 LYS 19 4.668 -0.927 -10.574
178 2HE LYS 19 HE1 LYS 19 4.554 0.089 -12.011
179 1HZ LYS 19 HZ1 LYS 19 4.714 -2.207 -12.648
180 2HZ LYS 19 HZ2 LYS 19 6.129 -2.415 -11.744
181 3HZ LYS 19 HZ3 LYS 19 6.137 -1.415 -13.108
182 1HN NH2 20 NH1 NH2 20 9.816 -1.686 -13.540
183 2HN NH2 20 NH2 NH2 20 11.445 -2.174 -13.238
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 -8.136 8.544 9.065
2 2H ALA 1 HT2 ALA 1 -7.931 7.014 9.814
3 3H ALA 1 HT3 ALA 1 -8.787 8.261 10.625
4 HA ALA 1 HA ALA 1 -10.101 6.435 9.559
5 1HB ALA 1 HB1 ALA 1 -10.872 8.733 10.359
6 2HB ALA 1 HB2 ALA 1 -11.894 7.894 9.193
7 3HB ALA 1 HB3 ALA 1 -10.837 9.201 8.659
8 H LYS 2 HN LYS 2 -9.033 9.017 7.338
9 HA LYS 2 HA LYS 2 -9.601 7.246 5.077
10 1HB LYS 2 HB2 LYS 2 -10.214 9.847 5.389
11 2HB LYS 2 HB1 LYS 2 -8.644 10.014 4.616
12 1HG LYS 2 HG2 LYS 2 -9.403 8.675 2.737
13 2HG LYS 2 HG1 LYS 2 -10.968 8.445 3.519
14 1HD LYS 2 HD2 LYS 2 -11.474 10.775 3.350
15 2HD LYS 2 HD1 LYS 2 -9.835 11.146 2.810
16 1HE LYS 2 HE2 LYS 2 -11.295 9.172 1.184
17 2HE LYS 2 HE1 LYS 2 -11.946 10.810 1.152
18 1HZ LYS 2 HZ1 LYS 2 -9.282 9.868 0.301
19 2HZ LYS 2 HZ2 LYS 2 -9.536 11.492 0.700
20 3HZ LYS 2 HZ3 LYS 2 -10.410 10.787 -0.565
21 H LYS 3 HN LYS 3 -7.360 6.649 6.721
22 HA LYS 3 HA LYS 3 -5.180 7.097 4.779
23 1HB LYS 3 HB2 LYS 3 -5.207 8.116 7.334
24 2HB LYS 3 HB1 LYS 3 -4.335 6.606 7.553
25 1HG LYS 3 HG2 LYS 3 -2.504 7.417 6.593
26 2HG LYS 3 HG1 LYS 3 -3.413 8.050 5.220
27 1HD LYS 3 HD2 LYS 3 -4.134 9.783 7.192
28 2HD LYS 3 HD1 LYS 3 -2.472 9.402 7.650
29 1HE LYS 3 HE2 LYS 3 -3.032 10.031 4.800
30 2HE LYS 3 HE1 LYS 3 -3.051 11.359 5.959
31 1HZ LYS 3 HZ1 LYS 3 -0.830 11.071 6.454
32 2HZ LYS 3 HZ2 LYS 3 -0.857 10.750 4.794
33 3HZ LYS 3 HZ3 LYS 3 -0.788 9.472 5.900
34 H VAL 4 HN VAL 4 -7.208 4.844 5.437
35 HA VAL 4 HA VAL 4 -5.787 2.618 6.387
36 HB VAL 4 HB VAL 4 -7.835 2.514 4.168
37 1HG1 VAL 4 HG11 VAL 4 -8.172 0.300 4.732
38 2HG1 VAL 4 HG12 VAL 4 -7.519 0.505 6.357
39 3HG1 VAL 4 HG13 VAL 4 -6.434 0.475 4.968
40 1HG2 VAL 4 HG21 VAL 4 -8.914 2.051 6.808
41 2HG2 VAL 4 HG22 VAL 4 -9.474 3.141 5.540
42 3HG2 VAL 4 HG23 VAL 4 -8.230 3.671 6.672
43 H PHE 5 HN PHE 5 -5.534 4.487 3.599
44 HA PHE 5 HA PHE 5 -4.580 2.998 1.573
45 1HB PHE 5 HB2 PHE 5 -4.807 5.542 1.807
46 2HB PHE 5 HB1 PHE 5 -3.193 5.499 2.503
47 HD1 PHE 5 HD1 PHE 5 -4.862 3.938 -0.455
48 HD2 PHE 5 HD2 PHE 5 -1.559 6.163 1.044
49 HE1 PHE 5 HE1 PHE 5 -3.890 4.009 -2.714
50 HE2 PHE 5 HE2 PHE 5 -0.580 6.239 -1.213
51 HZ PHE 5 HZ PHE 5 -1.747 5.161 -3.095
52 H LYS 6 HN LYS 6 -3.018 3.700 4.569
53 HA LYS 6 HA LYS 6 -0.389 2.972 3.952
54 1HB LYS 6 HB2 LYS 6 -1.164 4.103 6.065
55 2HB LYS 6 HB1 LYS 6 -1.765 2.543 6.609
56 1HG LYS 6 HG2 LYS 6 0.573 1.665 6.347
57 2HG LYS 6 HG1 LYS 6 1.087 3.332 6.080
58 1HD LYS 6 HD2 LYS 6 1.280 3.522 8.292
59 2HD LYS 6 HD1 LYS 6 -0.481 3.443 8.377
60 1HE LYS 6 HE2 LYS 6 1.278 1.000 8.362
61 2HE LYS 6 HE1 LYS 6 0.777 1.814 9.844
62 1HZ LYS 6 HZ1 LYS 6 -1.345 1.147 7.975
63 2HZ LYS 6 HZ2 LYS 6 -1.316 1.044 9.663
64 3HZ LYS 6 HZ3 LYS 6 -0.591 -0.167 8.730
65 H ARG 7 HN ARG 7 -3.094 1.032 5.206
66 HA ARG 7 HA ARG 7 -1.675 -1.403 5.342
67 1HB ARG 7 HB2 ARG 7 -4.589 -0.702 5.141
68 2HB ARG 7 HB1 ARG 7 -4.071 -2.379 5.039
69 1HG ARG 7 HG2 ARG 7 -3.018 -2.192 7.235
70 2HG ARG 7 HG1 ARG 7 -3.534 -0.508 7.337
71 1HD ARG 7 HD2 ARG 7 -5.313 -1.367 8.411
72 2HD ARG 7 HD1 ARG 7 -5.887 -1.726 6.783
73 HE ARG 7 HE ARG 7 -5.728 -3.929 7.313
74 1HH1 ARG 7 HH11 ARG 7 -3.480 -2.178 9.328
75 2HH1 ARG 7 HH12 ARG 7 -2.976 -3.584 10.204
76 1HH2 ARG 7 HH21 ARG 7 -5.067 -5.780 8.465
77 2HH2 ARG 7 HH22 ARG 7 -3.877 -5.630 9.714
78 H LEU 8 HN LEU 8 -3.580 0.125 2.794
79 HA LEU 8 HA LEU 8 -3.398 -1.995 0.931
80 1HB LEU 8 HB2 LEU 8 -3.738 0.975 0.477
81 2HB LEU 8 HB1 LEU 8 -3.945 -0.254 -0.757
82 HG LEU 8 HG LEU 8 -5.596 -0.242 1.758
83 1HD1 LEU 8 HD11 LEU 8 -6.789 0.796 -0.726
84 2HD1 LEU 8 HD12 LEU 8 -5.635 1.861 0.078
85 3HD1 LEU 8 HD13 LEU 8 -7.051 1.275 0.951
86 1HD2 LEU 8 HD21 LEU 8 -7.137 -1.308 -0.146
87 2HD2 LEU 8 HD22 LEU 8 -6.014 -2.263 0.822
88 3HD2 LEU 8 HD23 LEU 8 -5.553 -1.733 -0.796
89 H GLU 9 HN GLU 9 -1.411 0.850 1.603
90 HA GLU 9 HA GLU 9 0.391 0.548 -0.539
91 1HB GLU 9 HB2 GLU 9 0.060 2.469 1.260
92 2HB GLU 9 HB1 GLU 9 1.342 1.598 2.090
93 1HG GLU 9 HG2 GLU 9 1.919 2.036 -0.724
94 2HG GLU 9 HG1 GLU 9 1.668 3.535 0.170
95 H LYS 10 HN LYS 10 0.086 -1.068 2.533
96 HA LYS 10 HA LYS 10 2.712 -2.169 2.608
97 1HB LYS 10 HB2 LYS 10 0.192 -2.500 4.103
98 2HB LYS 10 HB1 LYS 10 1.211 -3.932 4.051
99 1HG LYS 10 HG2 LYS 10 2.597 -1.422 4.700
100 2HG LYS 10 HG1 LYS 10 1.426 -1.982 5.896
101 1HD LYS 10 HD2 LYS 10 2.542 -4.175 5.932
102 2HD LYS 10 HD1 LYS 10 3.730 -3.576 4.772
103 1HE LYS 10 HE2 LYS 10 3.374 -1.911 7.168
104 2HE LYS 10 HE1 LYS 10 4.039 -3.516 7.468
105 1HZ LYS 10 HZ1 LYS 10 5.208 -1.256 6.052
106 2HZ LYS 10 HZ2 LYS 10 5.522 -2.788 5.406
107 3HZ LYS 10 HZ3 LYS 10 5.952 -2.441 7.004
108 H SER 11 HN SER 11 -0.430 -3.359 1.483
109 HA SER 11 HA SER 11 0.538 -5.903 0.655
110 1HB SER 11 HB2 SER 11 -1.932 -4.954 1.087
111 2HB SER 11 HB1 SER 11 -1.865 -4.746 -0.663
112 HG SER 11 HG SER 11 -2.569 -6.779 -0.434
113 H PHE 12 HN PHE 12 0.392 -2.752 -0.812
114 HA PHE 12 HA PHE 12 0.881 -3.733 -3.485
115 1HB PHE 12 HB2 PHE 12 -0.058 -1.323 -2.351
116 2HB PHE 12 HB1 PHE 12 1.431 -0.925 -3.200
117 HD1 PHE 12 HD1 PHE 12 1.408 -0.596 -5.492
118 HD2 PHE 12 HD2 PHE 12 -1.814 -2.679 -3.652
119 HE1 PHE 12 HE1 PHE 12 0.189 -0.588 -7.629
120 HE2 PHE 12 HE2 PHE 12 -3.040 -2.675 -5.785
121 HZ PHE 12 HZ PHE 12 -2.038 -1.629 -7.777
122 H SER 13 HN SER 13 2.824 -3.672 -0.892
123 HA SER 13 HA SER 13 5.137 -2.320 -1.631
124 1HB SER 13 HB2 SER 13 4.627 -3.474 0.587
125 2HB SER 13 HB1 SER 13 5.138 -4.973 -0.190
126 HG SER 13 HG SER 13 7.151 -3.877 -0.646
127 H LYS 14 HN LYS 14 3.968 -5.504 -2.572
128 HA LYS 14 HA LYS 14 6.299 -6.445 -3.818
129 1HB LYS 14 HB2 LYS 14 3.442 -7.146 -3.813
130 2HB LYS 14 HB1 LYS 14 4.293 -7.590 -5.286
131 1HG LYS 14 HG2 LYS 14 6.043 -8.584 -3.610
132 2HG LYS 14 HG1 LYS 14 4.666 -8.582 -2.506
133 1HD LYS 14 HD2 LYS 14 3.380 -9.928 -4.055
134 2HD LYS 14 HD1 LYS 14 4.686 -9.858 -5.240
135 1HE LYS 14 HE2 LYS 14 4.860 -11.966 -4.178
136 2HE LYS 14 HE1 LYS 14 6.152 -10.967 -3.515
137 1HZ LYS 14 HZ1 LYS 14 5.139 -10.835 -1.489
138 2HZ LYS 14 HZ2 LYS 14 4.620 -12.373 -1.962
139 3HZ LYS 14 HZ3 LYS 14 3.580 -11.048 -2.110
140 H ILE 15 HN ILE 15 3.643 -4.455 -5.017
141 HA ILE 15 HA ILE 15 4.710 -4.375 -7.701
142 HB ILE 15 HB ILE 15 2.529 -2.634 -6.559
143 1HG1 ILE 15 HG12 ILE 15 2.265 -5.343 -7.884
144 2HG1 ILE 15 HG11 ILE 15 2.023 -5.023 -6.169
145 1HG2 ILE 15 HG21 ILE 15 2.945 -1.712 -8.594
146 2HG2 ILE 15 HG22 ILE 15 1.844 -2.993 -9.101
147 3HG2 ILE 15 HG23 ILE 15 3.586 -3.211 -9.267
148 1HD1 ILE 15 HD11 ILE 15 0.375 -3.962 -8.450
149 2HD1 ILE 15 HD12 ILE 15 0.163 -3.511 -6.758
150 3HD1 ILE 15 HD13 ILE 15 -0.102 -5.179 -7.266
151 H GLN 16 HN GLN 16 4.755 -2.385 -4.827
152 HA GLN 16 HA GLN 16 5.608 0.031 -5.974
153 1HB GLN 16 HB2 GLN 16 4.997 -0.837 -3.433
154 2HB GLN 16 HB1 GLN 16 6.725 -0.533 -3.324
155 1HG GLN 16 HG2 GLN 16 5.149 1.569 -4.645
156 2HG GLN 16 HG1 GLN 16 4.828 1.333 -2.927
157 1HE2 GLN 16 HE21 GLN 16 5.811 3.691 -3.597
158 2HE2 GLN 16 HE22 GLN 16 7.477 3.839 -3.162
159 H ASN 17 HN ASN 17 7.347 -2.862 -5.039
160 HA ASN 17 HA ASN 17 9.951 -1.692 -5.300
161 1HB ASN 17 HB2 ASN 17 8.927 -4.051 -4.222
162 2HB ASN 17 HB1 ASN 17 9.888 -4.585 -5.598
163 1HD2 ASN 17 HD21 ASN 17 10.043 -4.180 -2.428
164 2HD2 ASN 17 HD22 ASN 17 11.710 -3.774 -2.229
165 H ASP 18 HN ASP 18 7.876 -3.711 -7.335
166 HA ASP 18 HA ASP 18 9.814 -3.839 -9.462
167 1HB ASP 18 HB2 ASP 18 7.763 -5.450 -8.784
168 2HB ASP 18 HB1 ASP 18 6.970 -4.475 -10.018
169 H LYS 19 HN LYS 19 10.131 -2.351 -10.971
170 HA LYS 19 HA LYS 19 8.600 0.036 -11.079
171 1HB LYS 19 HB2 LYS 19 11.113 -0.601 -11.823
172 2HB LYS 19 HB1 LYS 19 10.318 -0.655 -13.390
173 1HG LYS 19 HG2 LYS 19 10.406 1.548 -13.533
174 2HG LYS 19 HG1 LYS 19 9.473 1.701 -12.043
175 1HD LYS 19 HD2 LYS 19 11.296 2.167 -10.803
176 2HD LYS 19 HD1 LYS 19 12.304 1.006 -11.668
177 1HE LYS 19 HE2 LYS 19 12.825 2.526 -13.352
178 2HE LYS 19 HE1 LYS 19 11.448 3.561 -12.974
179 1HZ LYS 19 HZ1 LYS 19 12.577 4.621 -11.359
180 2HZ LYS 19 HZ2 LYS 19 13.936 4.100 -12.221
181 3HZ LYS 19 HZ3 LYS 19 13.416 3.238 -10.861
182 1HN NH2 20 NH1 NH2 20 6.623 0.129 -11.876
183 2HN NH2 20 NH2 NH2 20 6.057 -0.655 -13.308
Start of MODEL 12
1 1H ALA 1 HT1 ALA 1 -11.836 8.280 10.595
2 2H ALA 1 HT2 ALA 1 -12.651 7.180 9.560
3 3H ALA 1 HT3 ALA 1 -11.768 8.494 8.896
4 HA ALA 1 HA ALA 1 -9.798 7.488 10.091
5 1HB ALA 1 HB1 ALA 1 -11.882 5.403 10.349
6 2HB ALA 1 HB2 ALA 1 -10.516 5.781 11.399
7 3HB ALA 1 HB3 ALA 1 -10.260 4.865 9.913
8 H LYS 2 HN LYS 2 -9.409 8.479 7.983
9 HA LYS 2 HA LYS 2 -9.720 6.661 5.705
10 1HB LYS 2 HB2 LYS 2 -10.277 9.272 5.806
11 2HB LYS 2 HB1 LYS 2 -8.578 9.387 5.366
12 1HG LYS 2 HG2 LYS 2 -9.144 7.742 3.490
13 2HG LYS 2 HG1 LYS 2 -10.829 8.137 3.836
14 1HD LYS 2 HD2 LYS 2 -9.082 10.474 3.582
15 2HD LYS 2 HD1 LYS 2 -9.207 9.507 2.111
16 1HE LYS 2 HE2 LYS 2 -11.392 10.016 1.801
17 2HE LYS 2 HE1 LYS 2 -11.736 10.060 3.530
18 1HZ LYS 2 HZ1 LYS 2 -11.619 12.228 1.994
19 2HZ LYS 2 HZ2 LYS 2 -10.017 12.176 2.533
20 3HZ LYS 2 HZ3 LYS 2 -11.283 12.245 3.652
21 H LYS 3 HN LYS 3 -7.807 6.016 7.702
22 HA LYS 3 HA LYS 3 -5.245 6.609 6.371
23 1HB LYS 3 HB2 LYS 3 -5.704 6.974 8.928
24 2HB LYS 3 HB1 LYS 3 -5.461 5.236 9.034
25 1HG LYS 3 HG2 LYS 3 -3.235 5.377 8.431
26 2HG LYS 3 HG1 LYS 3 -3.440 6.948 7.655
27 1HD LYS 3 HD2 LYS 3 -4.125 7.584 10.177
28 2HD LYS 3 HD1 LYS 3 -2.986 6.274 10.495
29 1HE LYS 3 HE2 LYS 3 -1.769 8.333 10.489
30 2HE LYS 3 HE1 LYS 3 -1.343 7.440 9.030
31 1HZ LYS 3 HZ1 LYS 3 -3.350 8.893 8.108
32 2HZ LYS 3 HZ2 LYS 3 -1.749 9.436 8.092
33 3HZ LYS 3 HZ3 LYS 3 -2.800 9.943 9.316
34 H VAL 4 HN VAL 4 -7.493 4.418 5.899
35 HA VAL 4 HA VAL 4 -6.281 1.913 6.260
36 HB VAL 4 HB VAL 4 -7.955 2.664 3.860
37 1HG1 VAL 4 HG11 VAL 4 -8.249 0.057 5.202
38 2HG1 VAL 4 HG12 VAL 4 -6.711 0.331 4.384
39 3HG1 VAL 4 HG13 VAL 4 -8.222 0.456 3.484
40 1HG2 VAL 4 HG21 VAL 4 -9.758 1.610 5.554
41 2HG2 VAL 4 HG22 VAL 4 -9.464 3.342 5.399
42 3HG2 VAL 4 HG23 VAL 4 -8.704 2.432 6.704
43 H PHE 5 HN PHE 5 -5.535 4.554 4.321
44 HA PHE 5 HA PHE 5 -4.311 3.735 2.070
45 1HB PHE 5 HB2 PHE 5 -4.510 6.072 3.124
46 2HB PHE 5 HB1 PHE 5 -3.011 5.681 3.956
47 HD1 PHE 5 HD1 PHE 5 -1.007 4.998 2.488
48 HD2 PHE 5 HD2 PHE 5 -4.461 6.983 0.991
49 HE1 PHE 5 HE1 PHE 5 0.276 5.742 0.525
50 HE2 PHE 5 HE2 PHE 5 -3.185 7.729 -0.975
51 HZ PHE 5 HZ PHE 5 -0.813 7.108 -1.210
52 H LYS 6 HN LYS 6 -3.234 3.289 5.317
53 HA LYS 6 HA LYS 6 -0.558 2.603 4.862
54 1HB LYS 6 HB2 LYS 6 -1.667 3.051 7.100
55 2HB LYS 6 HB1 LYS 6 -2.313 1.418 7.015
56 1HG LYS 6 HG2 LYS 6 -0.438 1.078 8.276
57 2HG LYS 6 HG1 LYS 6 0.195 0.766 6.658
58 1HD LYS 6 HD2 LYS 6 0.303 3.552 7.690
59 2HD LYS 6 HD1 LYS 6 1.433 2.376 8.362
60 1HE LYS 6 HE2 LYS 6 1.405 2.055 5.541
61 2HE LYS 6 HE1 LYS 6 1.577 3.774 5.889
62 1HZ LYS 6 HZ1 LYS 6 3.739 3.154 5.995
63 2HZ LYS 6 HZ2 LYS 6 3.398 1.568 6.472
64 3HZ LYS 6 HZ3 LYS 6 3.326 2.824 7.602
65 H ARG 7 HN ARG 7 -3.489 0.600 4.984
66 HA ARG 7 HA ARG 7 -2.191 -1.865 4.537
67 1HB ARG 7 HB2 ARG 7 -4.991 -0.866 4.254
68 2HB ARG 7 HB1 ARG 7 -4.573 -2.396 3.494
69 1HG ARG 7 HG2 ARG 7 -4.066 -3.406 5.547
70 2HG ARG 7 HG1 ARG 7 -3.989 -1.855 6.385
71 1HD ARG 7 HD2 ARG 7 -6.474 -1.634 5.702
72 2HD ARG 7 HD1 ARG 7 -6.390 -3.375 5.438
73 HE ARG 7 HE ARG 7 -6.409 -2.000 7.964
74 1HH1 ARG 7 HH11 ARG 7 -5.512 -4.938 6.308
75 2HH1 ARG 7 HH12 ARG 7 -5.546 -5.905 7.743
76 1HH2 ARG 7 HH21 ARG 7 -6.455 -3.271 9.853
77 2HH2 ARG 7 HH22 ARG 7 -6.082 -4.960 9.756
78 H LEU 8 HN LEU 8 -3.627 0.514 2.348
79 HA LEU 8 HA LEU 8 -3.134 -0.928 -0.036
80 1HB LEU 8 HB2 LEU 8 -4.186 1.637 0.704
81 2HB LEU 8 HB1 LEU 8 -3.007 1.857 -0.576
82 HG LEU 8 HG LEU 8 -4.376 -0.128 -1.690
83 1HD1 LEU 8 HD11 LEU 8 -5.845 0.072 0.541
84 2HD1 LEU 8 HD12 LEU 8 -6.508 -0.434 -1.013
85 3HD1 LEU 8 HD13 LEU 8 -6.694 1.236 -0.476
86 1HD2 LEU 8 HD21 LEU 8 -4.271 1.725 -2.999
87 2HD2 LEU 8 HD22 LEU 8 -4.735 2.813 -1.690
88 3HD2 LEU 8 HD23 LEU 8 -5.961 1.846 -2.509
89 H GLU 9 HN GLU 9 -1.286 1.430 1.832
90 HA GLU 9 HA GLU 9 0.844 1.736 0.009
91 1HB GLU 9 HB2 GLU 9 0.248 2.496 2.743
92 2HB GLU 9 HB1 GLU 9 1.927 2.002 2.581
93 1HG GLU 9 HG2 GLU 9 0.928 3.822 0.498
94 2HG GLU 9 HG1 GLU 9 1.035 4.495 2.124
95 H LYS 10 HN LYS 10 0.021 -0.746 2.309
96 HA LYS 10 HA LYS 10 2.585 -1.964 2.467
97 1HB LYS 10 HB2 LYS 10 0.125 -2.323 3.706
98 2HB LYS 10 HB1 LYS 10 0.337 -3.799 2.774
99 1HG LYS 10 HG2 LYS 10 2.250 -4.410 3.938
100 2HG LYS 10 HG1 LYS 10 2.533 -2.770 4.525
101 1HD LYS 10 HD2 LYS 10 0.083 -3.304 5.581
102 2HD LYS 10 HD1 LYS 10 0.830 -4.902 5.613
103 1HE LYS 10 HE2 LYS 10 2.551 -2.707 6.536
104 2HE LYS 10 HE1 LYS 10 1.134 -3.011 7.541
105 1HZ LYS 10 HZ1 LYS 10 3.222 -4.983 6.787
106 2HZ LYS 10 HZ2 LYS 10 1.813 -5.361 7.643
107 3HZ LYS 10 HZ3 LYS 10 2.962 -4.323 8.323
108 H SER 11 HN SER 11 -0.299 -2.578 0.493
109 HA SER 11 HA SER 11 0.844 -4.750 -0.948
110 1HB SER 11 HB2 SER 11 -1.495 -2.961 -1.655
111 2HB SER 11 HB1 SER 11 -1.095 -4.480 -2.456
112 HG SER 11 HG SER 11 -2.221 -5.398 -0.953
113 H PHE 12 HN PHE 12 0.809 -1.282 -1.357
114 HA PHE 12 HA PHE 12 1.583 -1.181 -4.067
115 1HB PHE 12 HB2 PHE 12 0.979 0.672 -2.068
116 2HB PHE 12 HB1 PHE 12 2.652 1.015 -2.493
117 HD1 PHE 12 HD1 PHE 12 -0.785 0.789 -3.792
118 HD2 PHE 12 HD2 PHE 12 3.217 2.007 -4.571
119 HE1 PHE 12 HE1 PHE 12 -1.551 2.019 -5.780
120 HE2 PHE 12 HE2 PHE 12 2.459 3.241 -6.560
121 HZ PHE 12 HZ PHE 12 0.072 3.248 -7.167
122 H SER 13 HN SER 13 3.405 -1.535 -1.089
123 HA SER 13 HA SER 13 5.966 -0.967 -2.035
124 1HB SER 13 HB2 SER 13 5.204 -1.437 0.376
125 2HB SER 13 HB1 SER 13 5.406 -3.143 -0.024
126 HG SER 13 HG SER 13 7.422 -1.158 -0.270
127 H LYS 14 HN LYS 14 4.099 -3.963 -2.144
128 HA LYS 14 HA LYS 14 6.153 -5.600 -3.178
129 1HB LYS 14 HB2 LYS 14 3.625 -6.045 -2.273
130 2HB LYS 14 HB1 LYS 14 3.392 -6.232 -4.006
131 1HG LYS 14 HG2 LYS 14 5.648 -7.651 -2.669
132 2HG LYS 14 HG1 LYS 14 4.007 -8.284 -2.528
133 1HD LYS 14 HD2 LYS 14 4.071 -7.854 -5.167
134 2HD LYS 14 HD1 LYS 14 5.792 -8.125 -4.887
135 1HE LYS 14 HE2 LYS 14 3.538 -9.984 -4.135
136 2HE LYS 14 HE1 LYS 14 4.683 -10.210 -5.457
137 1HZ LYS 14 HZ1 LYS 14 5.374 -11.527 -3.609
138 2HZ LYS 14 HZ2 LYS 14 5.295 -10.208 -2.553
139 3HZ LYS 14 HZ3 LYS 14 6.471 -10.248 -3.767
140 H ILE 15 HN ILE 15 4.151 -3.194 -4.615
141 HA ILE 15 HA ILE 15 4.436 -4.149 -7.318
142 HB ILE 15 HB ILE 15 3.574 -1.397 -6.435
143 1HG1 ILE 15 HG12 ILE 15 1.858 -3.847 -6.897
144 2HG1 ILE 15 HG11 ILE 15 2.228 -3.153 -5.321
145 1HG2 ILE 15 HG21 ILE 15 2.733 -2.884 -8.901
146 2HG2 ILE 15 HG22 ILE 15 4.195 -1.899 -8.862
147 3HG2 ILE 15 HG23 ILE 15 2.624 -1.157 -8.561
148 1HD1 ILE 15 HD11 ILE 15 1.214 -1.027 -6.764
149 2HD1 ILE 15 HD12 ILE 15 0.364 -1.978 -5.545
150 3HD1 ILE 15 HD13 ILE 15 0.218 -2.398 -7.252
151 H GLN 16 HN GLN 16 5.967 -1.704 -5.273
152 HA GLN 16 HA GLN 16 7.486 -0.467 -7.303
153 1HB GLN 16 HB2 GLN 16 8.775 0.528 -5.528
154 2HB GLN 16 HB1 GLN 16 7.083 0.507 -5.053
155 1HG GLN 16 HG2 GLN 16 7.486 -0.762 -3.272
156 2HG GLN 16 HG1 GLN 16 8.526 -1.859 -4.178
157 1HE2 GLN 16 HE21 GLN 16 10.515 -1.943 -3.450
158 2HE2 GLN 16 HE22 GLN 16 11.387 -0.656 -2.696
159 H ASN 17 HN ASN 17 7.904 -3.428 -5.554
160 HA ASN 17 HA ASN 17 10.703 -3.706 -6.169
161 1HB ASN 17 HB2 ASN 17 8.636 -5.539 -4.967
162 2HB ASN 17 HB1 ASN 17 10.257 -6.105 -5.359
163 1HD2 ASN 17 HD21 ASN 17 8.469 -5.190 -2.885
164 2HD2 ASN 17 HD22 ASN 17 9.652 -4.436 -1.876
165 H ASP 18 HN ASP 18 7.651 -4.886 -7.476
166 HA ASP 18 HA ASP 18 8.900 -6.631 -9.383
167 1HB ASP 18 HB2 ASP 18 6.298 -6.261 -8.381
168 2HB ASP 18 HB1 ASP 18 6.199 -5.894 -10.101
169 H LYS 19 HN LYS 19 6.649 -3.964 -10.068
170 HA LYS 19 HA LYS 19 8.163 -3.385 -12.499
171 1HB LYS 19 HB2 LYS 19 6.223 -2.094 -13.194
172 2HB LYS 19 HB1 LYS 19 5.725 -3.699 -12.678
173 1HG LYS 19 HG2 LYS 19 5.246 -2.599 -10.408
174 2HG LYS 19 HG1 LYS 19 5.336 -1.074 -11.293
175 1HD LYS 19 HD2 LYS 19 3.055 -1.659 -11.288
176 2HD LYS 19 HD1 LYS 19 3.640 -2.085 -12.897
177 1HE LYS 19 HE2 LYS 19 4.001 -4.426 -11.979
178 2HE LYS 19 HE1 LYS 19 3.057 -3.912 -10.581
179 1HZ LYS 19 HZ1 LYS 19 1.999 -3.589 -13.317
180 2HZ LYS 19 HZ2 LYS 19 1.153 -3.672 -11.855
181 3HZ LYS 19 HZ3 LYS 19 1.856 -5.067 -12.504
182 1HN NH2 20 NH1 NH2 20 9.445 -1.685 -12.686
183 2HN NH2 20 NH2 NH2 20 9.513 -0.334 -11.611
Start of MODEL 13
1 1H ALA 1 HT1 ALA 1 -11.971 7.148 8.755
2 2H ALA 1 HT2 ALA 1 -10.720 6.716 9.848
3 3H ALA 1 HT3 ALA 1 -12.220 5.882 9.883
4 HA ALA 1 HA ALA 1 -10.261 4.779 8.791
5 1HB ALA 1 HB1 ALA 1 -12.818 5.056 7.220
6 2HB ALA 1 HB2 ALA 1 -12.636 4.061 8.665
7 3HB ALA 1 HB3 ALA 1 -11.705 3.688 7.214
8 H LYS 2 HN LYS 2 -9.750 7.594 8.307
9 HA LYS 2 HA LYS 2 -9.472 7.705 5.392
10 1HB LYS 2 HB2 LYS 2 -8.951 10.066 5.698
11 2HB LYS 2 HB1 LYS 2 -10.462 9.662 6.501
12 1HG LYS 2 HG2 LYS 2 -9.524 9.835 8.623
13 2HG LYS 2 HG1 LYS 2 -7.876 9.693 8.008
14 1HD LYS 2 HD2 LYS 2 -8.711 11.920 6.714
15 2HD LYS 2 HD1 LYS 2 -9.627 12.050 8.217
16 1HE LYS 2 HE2 LYS 2 -7.715 12.183 9.520
17 2HE LYS 2 HE1 LYS 2 -6.704 11.426 8.290
18 1HZ LYS 2 HZ1 LYS 2 -6.589 13.981 8.722
19 2HZ LYS 2 HZ2 LYS 2 -7.935 14.022 7.699
20 3HZ LYS 2 HZ3 LYS 2 -6.474 13.374 7.147
21 H LYS 3 HN LYS 3 -7.813 6.039 7.274
22 HA LYS 3 HA LYS 3 -5.210 6.946 6.259
23 1HB LYS 3 HB2 LYS 3 -5.773 7.458 8.815
24 2HB LYS 3 HB1 LYS 3 -5.286 5.779 9.006
25 1HG LYS 3 HG2 LYS 3 -3.118 6.227 8.131
26 2HG LYS 3 HG1 LYS 3 -3.590 7.856 7.645
27 1HD LYS 3 HD2 LYS 3 -3.688 6.954 10.510
28 2HD LYS 3 HD1 LYS 3 -2.222 7.622 9.789
29 1HE LYS 3 HE2 LYS 3 -4.866 9.051 9.699
30 2HE LYS 3 HE1 LYS 3 -3.732 9.244 11.035
31 1HZ LYS 3 HZ1 LYS 3 -2.263 10.380 9.747
32 2HZ LYS 3 HZ2 LYS 3 -3.692 10.832 8.964
33 3HZ LYS 3 HZ3 LYS 3 -2.722 9.609 8.313
34 H VAL 4 HN VAL 4 -7.356 4.644 5.957
35 HA VAL 4 HA VAL 4 -6.048 2.230 6.566
36 HB VAL 4 HB VAL 4 -7.768 2.705 4.125
37 1HG1 VAL 4 HG11 VAL 4 -6.400 0.467 4.880
38 2HG1 VAL 4 HG12 VAL 4 -7.841 0.481 3.864
39 3HG1 VAL 4 HG13 VAL 4 -7.987 0.185 5.596
40 1HG2 VAL 4 HG21 VAL 4 -8.545 3.246 6.708
41 2HG2 VAL 4 HG22 VAL 4 -9.111 1.595 6.461
42 3HG2 VAL 4 HG23 VAL 4 -9.622 2.876 5.362
43 H PHE 5 HN PHE 5 -5.397 4.714 4.403
44 HA PHE 5 HA PHE 5 -4.159 3.772 2.218
45 1HB PHE 5 HB2 PHE 5 -4.399 6.169 3.077
46 2HB PHE 5 HB1 PHE 5 -2.914 5.873 3.971
47 HD1 PHE 5 HD1 PHE 5 -1.146 6.962 2.996
48 HD2 PHE 5 HD2 PHE 5 -4.027 5.074 0.496
49 HE1 PHE 5 HE1 PHE 5 0.173 7.583 1.013
50 HE2 PHE 5 HE2 PHE 5 -2.713 5.691 -1.491
51 HZ PHE 5 HZ PHE 5 -0.610 6.946 -1.233
52 H LYS 6 HN LYS 6 -3.041 3.562 5.477
53 HA LYS 6 HA LYS 6 -0.355 2.892 5.005
54 1HB LYS 6 HB2 LYS 6 -2.062 3.107 7.254
55 2HB LYS 6 HB1 LYS 6 -1.351 1.500 7.315
56 1HG LYS 6 HG2 LYS 6 0.494 3.733 6.746
57 2HG LYS 6 HG1 LYS 6 -0.192 3.663 8.370
58 1HD LYS 6 HD2 LYS 6 0.983 1.820 8.923
59 2HD LYS 6 HD1 LYS 6 0.792 1.097 7.324
60 1HE LYS 6 HE2 LYS 6 2.438 3.296 6.902
61 2HE LYS 6 HE1 LYS 6 3.005 2.610 8.424
62 1HZ LYS 6 HZ1 LYS 6 2.525 0.858 6.106
63 2HZ LYS 6 HZ2 LYS 6 3.561 0.626 7.422
64 3HZ LYS 6 HZ3 LYS 6 3.966 1.739 6.215
65 H ARG 7 HN ARG 7 -3.211 0.824 5.526
66 HA ARG 7 HA ARG 7 -1.837 -1.614 5.108
67 1HB ARG 7 HB2 ARG 7 -4.704 -0.771 5.117
68 2HB ARG 7 HB1 ARG 7 -4.296 -2.336 4.428
69 1HG ARG 7 HG2 ARG 7 -2.946 -2.480 6.752
70 2HG ARG 7 HG1 ARG 7 -4.287 -1.437 7.229
71 1HD ARG 7 HD2 ARG 7 -5.890 -3.072 6.496
72 2HD ARG 7 HD1 ARG 7 -4.612 -4.081 5.820
73 HE ARG 7 HE ARG 7 -4.272 -3.603 8.619
74 1HH1 ARG 7 HH11 ARG 7 -5.944 -5.576 6.276
75 2HH1 ARG 7 HH12 ARG 7 -6.159 -6.906 7.365
76 1HH2 ARG 7 HH21 ARG 7 -4.554 -5.351 10.052
77 2HH2 ARG 7 HH22 ARG 7 -5.371 -6.778 9.508
78 H LEU 8 HN LEU 8 -3.480 0.651 2.993
79 HA LEU 8 HA LEU 8 -3.367 -0.924 0.641
80 1HB LEU 8 HB2 LEU 8 -4.268 1.675 1.381
81 2HB LEU 8 HB1 LEU 8 -3.190 1.860 0.011
82 HG LEU 8 HG LEU 8 -4.690 -0.123 -0.952
83 1HD1 LEU 8 HD11 LEU 8 -6.225 -0.552 0.697
84 2HD1 LEU 8 HD12 LEU 8 -7.100 0.635 -0.271
85 3HD1 LEU 8 HD13 LEU 8 -6.299 1.131 1.220
86 1HD2 LEU 8 HD21 LEU 8 -4.271 2.262 -1.785
87 2HD2 LEU 8 HD22 LEU 8 -5.787 2.669 -0.982
88 3HD2 LEU 8 HD23 LEU 8 -5.769 1.471 -2.276
89 H GLU 9 HN GLU 9 -1.225 1.472 2.115
90 HA GLU 9 HA GLU 9 0.668 1.617 0.044
91 1HB GLU 9 HB2 GLU 9 0.694 2.183 2.977
92 2HB GLU 9 HB1 GLU 9 2.232 2.114 2.127
93 1HG GLU 9 HG2 GLU 9 1.227 3.784 0.497
94 2HG GLU 9 HG1 GLU 9 -0.060 3.996 1.683
95 H LYS 10 HN LYS 10 0.076 -0.772 2.512
96 HA LYS 10 HA LYS 10 2.598 -2.069 2.390
97 1HB LYS 10 HB2 LYS 10 0.966 -2.367 4.241
98 2HB LYS 10 HB1 LYS 10 -0.089 -3.239 3.137
99 1HG LYS 10 HG2 LYS 10 1.861 -4.837 2.790
100 2HG LYS 10 HG1 LYS 10 2.589 -4.067 4.202
101 1HD LYS 10 HD2 LYS 10 1.466 -5.644 5.350
102 2HD LYS 10 HD1 LYS 10 0.084 -4.571 5.117
103 1HE LYS 10 HE2 LYS 10 -0.948 -6.043 3.798
104 2HE LYS 10 HE1 LYS 10 0.504 -6.303 2.832
105 1HZ LYS 10 HZ1 LYS 10 1.061 -8.126 4.002
106 2HZ LYS 10 HZ2 LYS 10 -0.590 -8.172 4.369
107 3HZ LYS 10 HZ3 LYS 10 0.503 -7.508 5.475
108 H SER 11 HN SER 11 -0.478 -2.550 0.710
109 HA SER 11 HA SER 11 0.372 -4.835 -0.758
110 1HB SER 11 HB2 SER 11 -1.696 -4.712 -1.869
111 2HB SER 11 HB1 SER 11 -2.038 -4.028 -0.279
112 HG SER 11 HG SER 11 -2.897 -2.647 -1.781
113 H PHE 12 HN PHE 12 0.377 -1.367 -1.368
114 HA PHE 12 HA PHE 12 1.106 -1.520 -4.104
115 1HB PHE 12 HB2 PHE 12 0.267 0.488 -2.496
116 2HB PHE 12 HB1 PHE 12 1.990 0.844 -2.558
117 HD1 PHE 12 HD1 PHE 12 2.989 0.648 -5.046
118 HD2 PHE 12 HD2 PHE 12 -1.054 1.521 -4.049
119 HE1 PHE 12 HE1 PHE 12 2.689 1.732 -7.234
120 HE2 PHE 12 HE2 PHE 12 -1.363 2.606 -6.236
121 HZ PHE 12 HZ PHE 12 0.510 2.713 -7.831
122 H SER 13 HN SER 13 2.899 -1.751 -1.145
123 HA SER 13 HA SER 13 5.448 -1.016 -1.984
124 1HB SER 13 HB2 SER 13 4.615 -1.673 0.371
125 2HB SER 13 HB1 SER 13 4.979 -3.328 -0.114
126 HG SER 13 HG SER 13 7.084 -2.875 -0.161
127 H LYS 14 HN LYS 14 3.671 -4.006 -2.461
128 HA LYS 14 HA LYS 14 5.822 -5.581 -3.385
129 1HB LYS 14 HB2 LYS 14 3.613 -6.470 -2.655
130 2HB LYS 14 HB1 LYS 14 2.901 -5.821 -4.126
131 1HG LYS 14 HG2 LYS 14 5.220 -7.499 -4.641
132 2HG LYS 14 HG1 LYS 14 3.923 -8.348 -3.798
133 1HD LYS 14 HD2 LYS 14 2.482 -8.173 -5.555
134 2HD LYS 14 HD1 LYS 14 3.162 -6.638 -6.099
135 1HE LYS 14 HE2 LYS 14 4.647 -7.638 -7.457
136 2HE LYS 14 HE1 LYS 14 4.993 -8.920 -6.297
137 1HZ LYS 14 HZ1 LYS 14 2.771 -8.777 -8.247
138 2HZ LYS 14 HZ2 LYS 14 2.756 -9.857 -6.946
139 3HZ LYS 14 HZ3 LYS 14 3.974 -9.960 -8.115
140 H ILE 15 HN ILE 15 3.764 -3.225 -4.932
141 HA ILE 15 HA ILE 15 4.495 -3.931 -7.613
142 HB ILE 15 HB ILE 15 3.334 -1.310 -6.674
143 1HG1 ILE 15 HG12 ILE 15 1.849 -3.794 -7.559
144 2HG1 ILE 15 HG11 ILE 15 2.005 -3.269 -5.886
145 1HG2 ILE 15 HG21 ILE 15 2.778 -2.582 -9.310
146 2HG2 ILE 15 HG22 ILE 15 4.310 -1.743 -9.066
147 3HG2 ILE 15 HG23 ILE 15 2.787 -0.877 -8.860
148 1HD1 ILE 15 HD11 ILE 15 0.601 -1.817 -8.112
149 2HD1 ILE 15 HD12 ILE 15 0.848 -1.168 -6.491
150 3HD1 ILE 15 HD13 ILE 15 -0.137 -2.613 -6.722
151 H GLN 16 HN GLN 16 5.671 -1.704 -5.180
152 HA GLN 16 HA GLN 16 7.267 -0.073 -6.815
153 1HB GLN 16 HB2 GLN 16 6.665 0.380 -4.426
154 2HB GLN 16 HB1 GLN 16 7.823 -0.854 -3.950
155 1HG GLN 16 HG2 GLN 16 9.648 0.414 -4.681
156 2HG GLN 16 HG1 GLN 16 8.626 1.495 -5.628
157 1HE2 GLN 16 HE21 GLN 16 6.902 2.616 -4.220
158 2HE2 GLN 16 HE22 GLN 16 7.485 3.308 -2.748
159 H ASN 17 HN ASN 17 7.794 -3.247 -5.454
160 HA ASN 17 HA ASN 17 10.602 -3.273 -6.169
161 1HB ASN 17 HB2 ASN 17 9.169 -4.579 -4.245
162 2HB ASN 17 HB1 ASN 17 9.315 -5.831 -5.474
163 1HD2 ASN 17 HD21 ASN 17 10.801 -4.301 -2.899
164 2HD2 ASN 17 HD22 ASN 17 12.394 -4.938 -3.100
165 H ASP 18 HN ASP 18 7.557 -4.427 -7.433
166 HA ASP 18 HA ASP 18 8.756 -6.129 -9.419
167 1HB ASP 18 HB2 ASP 18 6.471 -6.494 -8.419
168 2HB ASP 18 HB1 ASP 18 5.916 -5.100 -9.341
169 H LYS 19 HN LYS 19 9.992 -5.113 -10.891
170 HA LYS 19 HA LYS 19 9.265 -2.537 -11.966
171 1HB LYS 19 HB2 LYS 19 11.582 -4.378 -12.176
172 2HB LYS 19 HB1 LYS 19 11.304 -3.308 -13.543
173 1HG LYS 19 HG2 LYS 19 11.163 -1.964 -10.954
174 2HG LYS 19 HG1 LYS 19 12.735 -2.687 -11.303
175 1HD LYS 19 HD2 LYS 19 11.364 -1.059 -13.399
176 2HD LYS 19 HD1 LYS 19 12.204 -0.246 -12.076
177 1HE LYS 19 HE2 LYS 19 14.005 -0.426 -13.405
178 2HE LYS 19 HE1 LYS 19 14.053 -2.089 -12.822
179 1HZ LYS 19 HZ1 LYS 19 13.217 -2.895 -14.773
180 2HZ LYS 19 HZ2 LYS 19 14.083 -1.568 -15.362
181 3HZ LYS 19 HZ3 LYS 19 12.406 -1.463 -15.168
182 1HN NH2 20 NH1 NH2 20 8.512 -2.086 -13.982
183 2HN NH2 20 NH2 NH2 20 7.932 -3.279 -15.089
Start of MODEL 14
1 1H ALA 1 HT1 ALA 1 -12.003 5.071 9.240
2 2H ALA 1 HT2 ALA 1 -11.640 6.345 10.331
3 3H ALA 1 HT3 ALA 1 -11.528 4.712 10.847
4 HA ALA 1 HA ALA 1 -9.410 5.870 10.347
5 1HB ALA 1 HB1 ALA 1 -8.483 3.878 9.206
6 2HB ALA 1 HB2 ALA 1 -10.130 3.312 8.924
7 3HB ALA 1 HB3 ALA 1 -9.524 3.476 10.573
8 H LYS 2 HN LYS 2 -9.243 7.698 9.126
9 HA LYS 2 HA LYS 2 -9.881 7.609 6.290
10 1HB LYS 2 HB2 LYS 2 -9.376 10.009 6.313
11 2HB LYS 2 HB1 LYS 2 -10.535 9.585 7.564
12 1HG LYS 2 HG2 LYS 2 -9.218 10.830 8.875
13 2HG LYS 2 HG1 LYS 2 -8.215 9.380 8.939
14 1HD LYS 2 HD2 LYS 2 -7.028 10.295 6.885
15 2HD LYS 2 HD1 LYS 2 -7.866 11.815 7.207
16 1HE LYS 2 HE2 LYS 2 -5.516 11.579 8.146
17 2HE LYS 2 HE1 LYS 2 -6.772 12.106 9.266
18 1HZ LYS 2 HZ1 LYS 2 -6.695 10.163 10.414
19 2HZ LYS 2 HZ2 LYS 2 -5.092 10.197 9.876
20 3HZ LYS 2 HZ3 LYS 2 -6.231 9.238 9.075
21 H LYS 3 HN LYS 3 -7.389 6.419 7.877
22 HA LYS 3 HA LYS 3 -5.467 7.188 5.775
23 1HB LYS 3 HB2 LYS 3 -4.901 8.303 7.928
24 2HB LYS 3 HB1 LYS 3 -4.782 6.723 8.690
25 1HG LYS 3 HG2 LYS 3 -3.150 6.772 6.341
26 2HG LYS 3 HG1 LYS 3 -2.772 8.164 7.357
27 1HD LYS 3 HD2 LYS 3 -3.085 5.615 8.792
28 2HD LYS 3 HD1 LYS 3 -1.711 5.689 7.687
29 1HE LYS 3 HE2 LYS 3 -0.795 7.564 8.801
30 2HE LYS 3 HE1 LYS 3 -2.278 7.835 9.716
31 1HZ LYS 3 HZ1 LYS 3 -0.252 6.663 10.815
32 2HZ LYS 3 HZ2 LYS 3 -0.851 5.288 10.033
33 3HZ LYS 3 HZ3 LYS 3 -1.822 6.120 11.140
34 H VAL 4 HN VAL 4 -7.334 4.791 6.481
35 HA VAL 4 HA VAL 4 -5.733 2.548 6.991
36 HB VAL 4 HB VAL 4 -8.190 2.402 6.914
37 1HG1 VAL 4 HG11 VAL 4 -9.475 2.772 5.059
38 2HG1 VAL 4 HG12 VAL 4 -8.178 2.354 3.940
39 3HG1 VAL 4 HG13 VAL 4 -8.168 3.917 4.757
40 1HG2 VAL 4 HG21 VAL 4 -7.494 0.546 4.738
41 2HG2 VAL 4 HG22 VAL 4 -8.170 0.224 6.335
42 3HG2 VAL 4 HG23 VAL 4 -6.437 0.492 6.149
43 H PHE 5 HN PHE 5 -5.925 4.683 4.396
44 HA PHE 5 HA PHE 5 -5.190 3.420 2.130
45 1HB PHE 5 HB2 PHE 5 -5.515 5.924 2.649
46 2HB PHE 5 HB1 PHE 5 -3.808 5.920 3.066
47 HD1 PHE 5 HD1 PHE 5 -2.213 4.930 1.232
48 HD2 PHE 5 HD2 PHE 5 -6.139 6.388 0.482
49 HE1 PHE 5 HE1 PHE 5 -1.635 5.255 -1.138
50 HE2 PHE 5 HE2 PHE 5 -5.570 6.715 -1.890
51 HZ PHE 5 HZ PHE 5 -3.315 6.148 -2.702
52 H LYS 6 HN LYS 6 -3.286 3.967 4.953
53 HA LYS 6 HA LYS 6 -0.723 3.470 3.950
54 1HB LYS 6 HB2 LYS 6 -1.597 4.223 6.343
55 2HB LYS 6 HB1 LYS 6 -1.440 2.505 6.682
56 1HG LYS 6 HG2 LYS 6 0.577 3.543 7.359
57 2HG LYS 6 HG1 LYS 6 0.926 2.654 5.876
58 1HD LYS 6 HD2 LYS 6 1.858 4.569 5.174
59 2HD LYS 6 HD1 LYS 6 0.198 5.108 4.913
60 1HE LYS 6 HE2 LYS 6 0.699 6.795 6.289
61 2HE LYS 6 HE1 LYS 6 0.588 5.607 7.586
62 1HZ LYS 6 HZ1 LYS 6 3.101 6.166 6.117
63 2HZ LYS 6 HZ2 LYS 6 2.916 5.291 7.553
64 3HZ LYS 6 HZ3 LYS 6 2.671 6.965 7.545
65 H ARG 7 HN ARG 7 -3.184 1.270 5.250
66 HA ARG 7 HA ARG 7 -1.659 -1.088 5.083
67 1HB ARG 7 HB2 ARG 7 -4.346 -0.385 5.709
68 2HB ARG 7 HB1 ARG 7 -4.399 -1.661 4.501
69 1HG ARG 7 HG2 ARG 7 -3.442 -3.208 5.887
70 2HG ARG 7 HG1 ARG 7 -2.590 -1.990 6.838
71 1HD ARG 7 HD2 ARG 7 -4.907 -1.251 7.629
72 2HD ARG 7 HD1 ARG 7 -5.487 -2.775 6.958
73 HE ARG 7 HE ARG 7 -3.294 -3.254 8.665
74 1HH1 ARG 7 HH11 ARG 7 -6.660 -2.338 8.768
75 2HH1 ARG 7 HH12 ARG 7 -6.922 -3.004 10.345
76 1HH2 ARG 7 HH21 ARG 7 -3.637 -4.132 10.739
77 2HH2 ARG 7 HH22 ARG 7 -5.206 -4.022 11.464
78 H LEU 8 HN LEU 8 -3.863 0.460 2.777
79 HA LEU 8 HA LEU 8 -3.571 -1.476 0.737
80 1HB LEU 8 HB2 LEU 8 -4.578 1.320 0.902
81 2HB LEU 8 HB1 LEU 8 -4.159 0.710 -0.688
82 HG LEU 8 HG LEU 8 -5.931 -0.979 0.999
83 1HD1 LEU 8 HD11 LEU 8 -6.705 1.662 -0.186
84 2HD1 LEU 8 HD12 LEU 8 -7.068 1.011 1.413
85 3HD1 LEU 8 HD13 LEU 8 -7.876 0.355 -0.011
86 1HD2 LEU 8 HD21 LEU 8 -7.000 -0.959 -1.446
87 2HD2 LEU 8 HD22 LEU 8 -5.655 -2.010 -1.002
88 3HD2 LEU 8 HD23 LEU 8 -5.349 -0.502 -1.863
89 H GLU 9 HN GLU 9 -1.874 1.522 1.521
90 HA GLU 9 HA GLU 9 -0.186 1.551 -0.744
91 1HB GLU 9 HB2 GLU 9 -0.429 3.003 1.765
92 2HB GLU 9 HB1 GLU 9 1.254 2.738 1.332
93 1HG GLU 9 HG2 GLU 9 -0.400 3.646 -0.893
94 2HG GLU 9 HG1 GLU 9 -0.314 4.787 0.448
95 H LYS 10 HN LYS 10 -0.139 -0.220 2.250
96 HA LYS 10 HA LYS 10 2.607 -0.973 2.172
97 1HB LYS 10 HB2 LYS 10 0.211 -1.717 3.731
98 2HB LYS 10 HB1 LYS 10 1.430 -2.976 3.585
99 1HG LYS 10 HG2 LYS 10 3.103 -1.529 4.541
100 2HG LYS 10 HG1 LYS 10 1.961 -0.184 4.580
101 1HD LYS 10 HD2 LYS 10 1.022 -2.616 5.926
102 2HD LYS 10 HD1 LYS 10 2.451 -1.883 6.657
103 1HE LYS 10 HE2 LYS 10 0.895 0.302 6.210
104 2HE LYS 10 HE1 LYS 10 -0.323 -0.926 6.550
105 1HZ LYS 10 HZ1 LYS 10 0.880 -1.446 8.610
106 2HZ LYS 10 HZ2 LYS 10 0.332 0.154 8.577
107 3HZ LYS 10 HZ3 LYS 10 1.964 -0.187 8.293
108 H SER 11 HN SER 11 -0.388 -2.387 0.959
109 HA SER 11 HA SER 11 0.787 -4.818 0.059
110 1HB SER 11 HB2 SER 11 -1.614 -4.671 0.481
111 2HB SER 11 HB1 SER 11 -1.782 -3.449 -0.779
112 HG SER 11 HG SER 11 -2.080 -5.080 -2.060
113 H PHE 12 HN PHE 12 0.187 -1.674 -1.401
114 HA PHE 12 HA PHE 12 0.757 -2.356 -4.067
115 1HB PHE 12 HB2 PHE 12 0.078 -0.027 -2.654
116 2HB PHE 12 HB1 PHE 12 1.614 0.333 -3.435
117 HD1 PHE 12 HD1 PHE 12 -1.684 -1.221 -4.221
118 HD2 PHE 12 HD2 PHE 12 1.570 1.164 -5.574
119 HE1 PHE 12 HE1 PHE 12 -2.866 -0.818 -6.341
120 HE2 PHE 12 HE2 PHE 12 0.394 1.572 -7.696
121 HZ PHE 12 HZ PHE 12 -1.827 0.580 -8.082
122 H SER 13 HN SER 13 2.813 -1.957 -1.335
123 HA SER 13 HA SER 13 5.205 -1.129 -2.432
124 1HB SER 13 HB2 SER 13 6.282 -2.089 -0.551
125 2HB SER 13 HB1 SER 13 4.669 -1.655 0.012
126 HG SER 13 HG SER 13 4.078 -3.764 -0.024
127 H LYS 14 HN LYS 14 3.595 -4.202 -2.745
128 HA LYS 14 HA LYS 14 5.778 -5.746 -3.634
129 1HB LYS 14 HB2 LYS 14 2.802 -5.964 -3.917
130 2HB LYS 14 HB1 LYS 14 3.846 -7.058 -4.815
131 1HG LYS 14 HG2 LYS 14 4.841 -7.135 -2.228
132 2HG LYS 14 HG1 LYS 14 3.089 -7.092 -2.026
133 1HD LYS 14 HD2 LYS 14 4.298 -8.948 -4.031
134 2HD LYS 14 HD1 LYS 14 4.327 -9.377 -2.319
135 1HE LYS 14 HE2 LYS 14 1.828 -8.898 -2.323
136 2HE LYS 14 HE1 LYS 14 1.942 -8.886 -4.082
137 1HZ LYS 14 HZ1 LYS 14 1.428 -11.060 -3.703
138 2HZ LYS 14 HZ2 LYS 14 2.232 -11.126 -2.216
139 3HZ LYS 14 HZ3 LYS 14 3.117 -11.168 -3.656
140 H ILE 15 HN ILE 15 3.587 -3.557 -5.281
141 HA ILE 15 HA ILE 15 4.431 -4.281 -7.921
142 HB ILE 15 HB ILE 15 3.065 -1.724 -7.088
143 1HG1 ILE 15 HG12 ILE 15 1.792 -4.344 -7.910
144 2HG1 ILE 15 HG11 ILE 15 1.855 -3.735 -6.259
145 1HG2 ILE 15 HG21 ILE 15 3.713 -3.021 -9.653
146 2HG2 ILE 15 HG22 ILE 15 3.508 -1.314 -9.261
147 3HG2 ILE 15 HG23 ILE 15 2.094 -2.334 -9.522
148 1HD1 ILE 15 HD11 ILE 15 0.265 -2.153 -6.637
149 2HD1 ILE 15 HD12 ILE 15 -0.257 -3.389 -7.782
150 3HD1 ILE 15 HD13 ILE 15 0.666 -1.996 -8.347
151 H GLN 16 HN GLN 16 5.426 -1.941 -5.523
152 HA GLN 16 HA GLN 16 6.950 -0.269 -7.218
153 1HB GLN 16 HB2 GLN 16 6.173 0.173 -4.813
154 2HB GLN 16 HB1 GLN 16 7.566 -0.776 -4.313
155 1HG GLN 16 HG2 GLN 16 8.247 1.286 -6.243
156 2HG GLN 16 HG1 GLN 16 7.517 1.933 -4.775
157 1HE2 GLN 16 HE21 GLN 16 8.564 1.644 -2.800
158 2HE2 GLN 16 HE22 GLN 16 10.232 1.207 -2.705
159 H ASN 17 HN ASN 17 7.721 -3.190 -5.399
160 HA ASN 17 HA ASN 17 10.519 -3.111 -5.974
161 1HB ASN 17 HB2 ASN 17 8.680 -5.244 -4.900
162 2HB ASN 17 HB1 ASN 17 10.384 -5.557 -5.214
163 1HD2 ASN 17 HD21 ASN 17 8.471 -5.139 -2.780
164 2HD2 ASN 17 HD22 ASN 17 9.435 -4.177 -1.717
165 H ASP 18 HN ASP 18 7.698 -4.496 -7.506
166 HA ASP 18 HA ASP 18 9.053 -6.251 -9.266
167 1HB ASP 18 HB2 ASP 18 6.312 -5.122 -9.057
168 2HB ASP 18 HB1 ASP 18 6.797 -5.749 -10.630
169 H LYS 19 HN LYS 19 10.819 -4.775 -9.872
170 HA LYS 19 HA LYS 19 10.094 -2.707 -11.803
171 1HB LYS 19 HB2 LYS 19 12.158 -2.974 -9.904
172 2HB LYS 19 HB1 LYS 19 12.937 -3.054 -11.478
173 1HG LYS 19 HG2 LYS 19 11.046 -0.938 -11.539
174 2HG LYS 19 HG1 LYS 19 12.012 -0.776 -10.072
175 1HD LYS 19 HD2 LYS 19 13.331 0.366 -11.559
176 2HD LYS 19 HD1 LYS 19 14.003 -1.257 -11.726
177 1HE LYS 19 HE2 LYS 19 12.889 -1.629 -13.756
178 2HE LYS 19 HE1 LYS 19 11.780 -0.284 -13.492
179 1HZ LYS 19 HZ1 LYS 19 14.610 0.381 -13.622
180 2HZ LYS 19 HZ2 LYS 19 13.272 1.211 -14.242
181 3HZ LYS 19 HZ3 LYS 19 13.896 -0.124 -15.071
182 1HN NH2 20 NH1 NH2 20 10.707 -2.742 -13.933
183 2HN NH2 20 NH2 NH2 20 11.309 -4.152 -14.731
Start of MODEL 15
1 1H ALA 1 HT1 ALA 1 -8.031 5.876 10.537
2 2H ALA 1 HT2 ALA 1 -8.847 5.168 11.870
3 3H ALA 1 HT3 ALA 1 -9.176 6.792 11.424
4 HA ALA 1 HA ALA 1 -9.931 4.301 10.101
5 1HB ALA 1 HB1 ALA 1 -11.584 6.763 10.524
6 2HB ALA 1 HB2 ALA 1 -11.344 5.590 11.819
7 3HB ALA 1 HB3 ALA 1 -12.109 5.093 10.309
8 H LYS 2 HN LYS 2 -9.017 7.628 9.552
9 HA LYS 2 HA LYS 2 -9.738 7.420 6.722
10 1HB LYS 2 HB2 LYS 2 -9.819 9.531 8.572
11 2HB LYS 2 HB1 LYS 2 -8.518 9.934 7.460
12 1HG LYS 2 HG2 LYS 2 -10.137 10.806 6.198
13 2HG LYS 2 HG1 LYS 2 -10.477 9.135 5.746
14 1HD LYS 2 HD2 LYS 2 -12.562 9.671 6.438
15 2HD LYS 2 HD1 LYS 2 -11.894 9.294 8.027
16 1HE LYS 2 HE2 LYS 2 -11.462 12.053 7.103
17 2HE LYS 2 HE1 LYS 2 -13.144 11.615 7.399
18 1HZ LYS 2 HZ1 LYS 2 -12.262 12.470 9.407
19 2HZ LYS 2 HZ2 LYS 2 -10.887 11.489 9.318
20 3HZ LYS 2 HZ3 LYS 2 -12.401 10.797 9.619
21 H LYS 3 HN LYS 3 -7.536 5.888 7.810
22 HA LYS 3 HA LYS 3 -5.429 6.894 6.035
23 1HB LYS 3 HB2 LYS 3 -3.690 6.445 7.705
24 2HB LYS 3 HB1 LYS 3 -4.805 7.683 8.268
25 1HG LYS 3 HG2 LYS 3 -5.945 6.031 9.658
26 2HG LYS 3 HG1 LYS 3 -4.831 4.785 9.090
27 1HD LYS 3 HD2 LYS 3 -3.520 7.179 10.160
28 2HD LYS 3 HD1 LYS 3 -4.487 6.292 11.341
29 1HE LYS 3 HE2 LYS 3 -2.654 5.026 11.589
30 2HE LYS 3 HE1 LYS 3 -3.167 4.269 10.081
31 1HZ LYS 3 HZ1 LYS 3 -1.040 4.825 9.554
32 2HZ LYS 3 HZ2 LYS 3 -1.007 6.185 10.558
33 3HZ LYS 3 HZ3 LYS 3 -1.806 6.253 9.069
34 H VAL 4 HN VAL 4 -7.467 4.573 6.268
35 HA VAL 4 HA VAL 4 -6.056 2.164 6.537
36 HB VAL 4 HB VAL 4 -8.235 2.633 4.499
37 1HG1 VAL 4 HG11 VAL 4 -7.779 0.153 6.120
38 2HG1 VAL 4 HG12 VAL 4 -6.880 0.449 4.631
39 3HG1 VAL 4 HG13 VAL 4 -8.640 0.340 4.592
40 1HG2 VAL 4 HG21 VAL 4 -9.431 3.374 6.267
41 2HG2 VAL 4 HG22 VAL 4 -8.363 2.615 7.447
42 3HG2 VAL 4 HG23 VAL 4 -9.581 1.651 6.611
43 H PHE 5 HN PHE 5 -5.922 4.659 4.284
44 HA PHE 5 HA PHE 5 -5.131 3.689 1.897
45 1HB PHE 5 HB2 PHE 5 -5.303 6.106 2.753
46 2HB PHE 5 HB1 PHE 5 -3.645 5.898 3.297
47 HD1 PHE 5 HD1 PHE 5 -5.649 5.294 0.202
48 HD2 PHE 5 HD2 PHE 5 -2.008 6.693 1.904
49 HE1 PHE 5 HE1 PHE 5 -4.842 5.909 -2.040
50 HE2 PHE 5 HE2 PHE 5 -1.195 7.311 -0.334
51 HZ PHE 5 HZ PHE 5 -2.612 6.919 -2.310
52 H LYS 6 HN LYS 6 -3.378 3.665 4.869
53 HA LYS 6 HA LYS 6 -0.802 3.102 3.944
54 1HB LYS 6 HB2 LYS 6 -1.777 3.567 6.375
55 2HB LYS 6 HB1 LYS 6 -1.760 1.810 6.457
56 1HG LYS 6 HG2 LYS 6 0.305 2.247 7.292
57 2HG LYS 6 HG1 LYS 6 0.706 2.144 5.577
58 1HD LYS 6 HD2 LYS 6 -0.113 4.796 6.617
59 2HD LYS 6 HD1 LYS 6 1.466 4.189 7.118
60 1HE LYS 6 HE2 LYS 6 2.350 4.642 5.127
61 2HE LYS 6 HE1 LYS 6 1.058 3.779 4.293
62 1HZ LYS 6 HZ1 LYS 6 -0.148 5.676 4.001
63 2HZ LYS 6 HZ2 LYS 6 1.410 6.332 3.951
64 3HZ LYS 6 HZ3 LYS 6 0.490 6.447 5.366
65 H ARG 7 HN ARG 7 -3.506 0.957 4.751
66 HA ARG 7 HA ARG 7 -2.169 -1.478 4.336
67 1HB ARG 7 HB2 ARG 7 -4.832 -0.632 4.867
68 2HB ARG 7 HB1 ARG 7 -4.889 -1.698 3.470
69 1HG ARG 7 HG2 ARG 7 -4.934 -3.370 4.933
70 2HG ARG 7 HG1 ARG 7 -3.221 -3.037 5.196
71 1HD ARG 7 HD2 ARG 7 -5.027 -1.310 6.723
72 2HD ARG 7 HD1 ARG 7 -5.153 -3.020 7.131
73 HE ARG 7 HE ARG 7 -2.484 -2.573 7.145
74 1HH1 ARG 7 HH11 ARG 7 -5.182 -0.999 8.702
75 2HH1 ARG 7 HH12 ARG 7 -4.259 -0.505 10.081
76 1HH2 ARG 7 HH21 ARG 7 -1.269 -1.926 8.959
77 2HH2 ARG 7 HH22 ARG 7 -2.036 -1.031 10.227
78 H LEU 8 HN LEU 8 -4.048 0.572 2.132
79 HA LEU 8 HA LEU 8 -3.728 -1.066 -0.148
80 1HB LEU 8 HB2 LEU 8 -4.399 1.831 0.265
81 2HB LEU 8 HB1 LEU 8 -4.119 1.209 -1.351
82 HG LEU 8 HG LEU 8 -5.920 -0.594 -0.530
83 1HD1 LEU 8 HD11 LEU 8 -6.777 1.919 0.886
84 2HD1 LEU 8 HD12 LEU 8 -6.067 0.526 1.702
85 3HD1 LEU 8 HD13 LEU 8 -7.605 0.362 0.853
86 1HD2 LEU 8 HD21 LEU 8 -7.114 1.979 -1.351
87 2HD2 LEU 8 HD22 LEU 8 -7.288 0.370 -2.051
88 3HD2 LEU 8 HD23 LEU 8 -5.849 1.329 -2.393
89 H GLU 9 HN GLU 9 -1.903 1.672 1.157
90 HA GLU 9 HA GLU 9 -0.021 1.819 -0.949
91 1HB GLU 9 HB2 GLU 9 -0.491 3.533 0.914
92 2HB GLU 9 HB1 GLU 9 0.569 2.549 1.914
93 1HG GLU 9 HG2 GLU 9 1.719 3.207 -0.680
94 2HG GLU 9 HG1 GLU 9 1.343 4.622 0.302
95 H LYS 10 HN LYS 10 -0.360 -0.246 1.829
96 HA LYS 10 HA LYS 10 2.323 -1.201 1.890
97 1HB LYS 10 HB2 LYS 10 0.215 -1.424 3.576
98 2HB LYS 10 HB1 LYS 10 0.159 -3.002 2.802
99 1HG LYS 10 HG2 LYS 10 1.997 -3.725 3.856
100 2HG LYS 10 HG1 LYS 10 2.830 -2.179 3.678
101 1HD LYS 10 HD2 LYS 10 2.499 -2.492 6.002
102 2HD LYS 10 HD1 LYS 10 1.310 -1.292 5.491
103 1HE LYS 10 HE2 LYS 10 0.061 -2.714 6.830
104 2HE LYS 10 HE1 LYS 10 -0.266 -3.320 5.207
105 1HZ LYS 10 HZ1 LYS 10 0.987 -5.188 5.552
106 2HZ LYS 10 HZ2 LYS 10 0.374 -4.948 7.110
107 3HZ LYS 10 HZ3 LYS 10 1.956 -4.475 6.742
108 H SER 11 HN SER 11 -0.632 -2.184 0.257
109 HA SER 11 HA SER 11 0.394 -4.626 -0.784
110 1HB SER 11 HB2 SER 11 -2.013 -4.262 -0.590
111 2HB SER 11 HB1 SER 11 -1.920 -2.909 -1.718
112 HG SER 11 HG SER 11 -2.549 -5.113 -2.528
113 H PHE 12 HN PHE 12 0.159 -1.320 -2.019
114 HA PHE 12 HA PHE 12 1.143 -1.935 -4.618
115 1HB PHE 12 HB2 PHE 12 -0.128 0.196 -3.637
116 2HB PHE 12 HB1 PHE 12 1.521 0.790 -3.477
117 HD1 PHE 12 HD1 PHE 12 -1.240 0.680 -5.577
118 HD2 PHE 12 HD2 PHE 12 3.004 0.379 -5.658
119 HE1 PHE 12 HE1 PHE 12 -1.245 1.313 -7.955
120 HE2 PHE 12 HE2 PHE 12 3.007 1.012 -8.036
121 HZ PHE 12 HZ PHE 12 0.881 1.480 -9.187
122 H SER 13 HN SER 13 2.633 -1.148 -1.565
123 HA SER 13 HA SER 13 5.170 -0.372 -2.446
124 1HB SER 13 HB2 SER 13 4.626 -0.036 -0.149
125 2HB SER 13 HB1 SER 13 4.261 -1.745 0.086
126 HG SER 13 HG SER 13 6.262 -1.685 0.817
127 H LYS 14 HN LYS 14 3.871 -3.589 -1.716
128 HA LYS 14 HA LYS 14 6.256 -5.024 -2.112
129 1HB LYS 14 HB2 LYS 14 3.399 -5.645 -1.851
130 2HB LYS 14 HB1 LYS 14 4.290 -6.798 -2.834
131 1HG LYS 14 HG2 LYS 14 5.069 -5.973 -0.047
132 2HG LYS 14 HG1 LYS 14 4.152 -7.426 -0.450
133 1HD LYS 14 HD2 LYS 14 5.975 -8.520 -1.195
134 2HD LYS 14 HD1 LYS 14 6.648 -7.079 -1.961
135 1HE LYS 14 HE2 LYS 14 6.883 -6.450 0.674
136 2HE LYS 14 HE1 LYS 14 7.118 -8.197 0.713
137 1HZ LYS 14 HZ1 LYS 14 8.696 -7.602 -1.303
138 2HZ LYS 14 HZ2 LYS 14 9.234 -7.551 0.300
139 3HZ LYS 14 HZ3 LYS 14 8.785 -6.123 -0.486
140 H ILE 15 HN ILE 15 3.814 -3.856 -4.333
141 HA ILE 15 HA ILE 15 4.853 -5.340 -6.578
142 HB ILE 15 HB ILE 15 2.929 -3.019 -6.657
143 1HG1 ILE 15 HG12 ILE 15 2.318 -5.971 -6.382
144 2HG1 ILE 15 HG11 ILE 15 2.124 -4.770 -5.109
145 1HG2 ILE 15 HG21 ILE 15 2.206 -4.661 -8.661
146 2HG2 ILE 15 HG22 ILE 15 3.939 -4.985 -8.607
147 3HG2 ILE 15 HG23 ILE 15 3.357 -3.338 -8.849
148 1HD1 ILE 15 HD11 ILE 15 0.721 -3.917 -7.447
149 2HD1 ILE 15 HD12 ILE 15 0.098 -4.280 -5.837
150 3HD1 ILE 15 HD13 ILE 15 0.252 -5.566 -7.034
151 H GLN 16 HN GLN 16 5.299 -2.193 -5.160
152 HA GLN 16 HA GLN 16 6.345 -0.795 -7.338
153 1HB GLN 16 HB2 GLN 16 5.849 -0.180 -4.748
154 2HB GLN 16 HB1 GLN 16 7.603 -0.287 -4.712
155 1HG GLN 16 HG2 GLN 16 7.357 1.913 -5.214
156 2HG GLN 16 HG1 GLN 16 7.406 1.241 -6.843
157 1HE2 GLN 16 HE21 GLN 16 5.246 2.336 -4.291
158 2HE2 GLN 16 HE22 GLN 16 3.943 2.784 -5.333
159 H ASN 17 HN ASN 17 7.849 -3.083 -5.135
160 HA ASN 17 HA ASN 17 10.527 -2.614 -5.898
161 1HB ASN 17 HB2 ASN 17 9.108 -4.423 -4.179
162 2HB ASN 17 HB1 ASN 17 10.263 -5.333 -5.147
163 1HD2 ASN 17 HD21 ASN 17 12.099 -5.614 -4.134
164 2HD2 ASN 17 HD22 ASN 17 12.878 -4.479 -3.090
165 H ASP 18 HN ASP 18 7.983 -4.636 -7.212
166 HA ASP 18 HA ASP 18 9.560 -6.230 -8.909
167 1HB ASP 18 HB2 ASP 18 6.669 -5.381 -9.021
168 2HB ASP 18 HB1 ASP 18 7.379 -6.452 -10.225
169 H LYS 19 HN LYS 19 10.935 -5.422 -10.356
170 HA LYS 19 HA LYS 19 10.660 -2.882 -11.577
171 1HB LYS 19 HB2 LYS 19 12.799 -4.242 -11.193
172 2HB LYS 19 HB1 LYS 19 12.357 -5.129 -12.645
173 1HG LYS 19 HG2 LYS 19 13.526 -3.585 -13.741
174 2HG LYS 19 HG1 LYS 19 12.146 -2.522 -13.460
175 1HD LYS 19 HD2 LYS 19 13.240 -1.301 -11.907
176 2HD LYS 19 HD1 LYS 19 14.082 -2.704 -11.247
177 1HE LYS 19 HE2 LYS 19 15.575 -2.684 -13.218
178 2HE LYS 19 HE1 LYS 19 14.770 -1.220 -13.781
179 1HZ LYS 19 HZ1 LYS 19 15.792 -1.153 -11.061
180 2HZ LYS 19 HZ2 LYS 19 15.812 0.044 -12.255
181 3HZ LYS 19 HZ3 LYS 19 16.959 -1.198 -12.285
182 1HN NH2 20 NH1 NH2 20 10.667 -6.073 -13.145
183 2HN NH2 20 NH2 NH2 20 9.542 -5.660 -14.389
Start of MODEL 16
1 1H ALA 1 HT1 ALA 1 -12.058 5.055 4.869
2 2H ALA 1 HT2 ALA 1 -12.630 3.785 5.872
3 3H ALA 1 HT3 ALA 1 -11.170 3.594 4.990
4 HA ALA 1 HA ALA 1 -11.730 5.211 7.355
5 1HB ALA 1 HB1 ALA 1 -9.195 3.763 6.947
6 2HB ALA 1 HB2 ALA 1 -10.644 2.767 7.079
7 3HB ALA 1 HB3 ALA 1 -10.220 3.883 8.377
8 H LYS 2 HN LYS 2 -10.059 6.698 8.036
9 HA LYS 2 HA LYS 2 -9.041 8.232 5.787
10 1HB LYS 2 HB2 LYS 2 -10.272 9.153 7.890
11 2HB LYS 2 HB1 LYS 2 -8.697 9.019 8.659
12 1HG LYS 2 HG2 LYS 2 -7.881 10.364 6.581
13 2HG LYS 2 HG1 LYS 2 -9.582 10.816 6.453
14 1HD LYS 2 HD2 LYS 2 -9.161 11.235 9.088
15 2HD LYS 2 HD1 LYS 2 -7.555 11.591 8.449
16 1HE LYS 2 HE2 LYS 2 -8.711 13.091 6.766
17 2HE LYS 2 HE1 LYS 2 -10.171 12.893 7.733
18 1HZ LYS 2 HZ1 LYS 2 -9.369 14.710 8.760
19 2HZ LYS 2 HZ2 LYS 2 -7.768 14.421 8.297
20 3HZ LYS 2 HZ3 LYS 2 -8.429 13.591 9.614
21 H LYS 3 HN LYS 3 -7.880 5.769 7.678
22 HA LYS 3 HA LYS 3 -5.099 6.596 7.156
23 1HB LYS 3 HB2 LYS 3 -6.110 6.498 9.675
24 2HB LYS 3 HB1 LYS 3 -5.549 4.842 9.499
25 1HG LYS 3 HG2 LYS 3 -3.348 5.936 8.683
26 2HG LYS 3 HG1 LYS 3 -3.979 7.381 9.476
27 1HD LYS 3 HD2 LYS 3 -3.567 4.689 10.776
28 2HD LYS 3 HD1 LYS 3 -2.525 6.100 10.972
29 1HE LYS 3 HE2 LYS 3 -5.455 6.111 11.659
30 2HE LYS 3 HE1 LYS 3 -4.199 5.686 12.821
31 1HZ LYS 3 HZ1 LYS 3 -4.999 8.085 12.772
32 2HZ LYS 3 HZ2 LYS 3 -4.122 8.239 11.334
33 3HZ LYS 3 HZ3 LYS 3 -3.326 7.830 12.769
34 H VAL 4 HN VAL 4 -7.293 4.636 6.024
35 HA VAL 4 HA VAL 4 -6.268 2.029 6.245
36 HB VAL 4 HB VAL 4 -8.439 2.482 5.180
37 1HG1 VAL 4 HG11 VAL 4 -8.571 3.402 2.930
38 2HG1 VAL 4 HG12 VAL 4 -6.824 3.643 2.913
39 3HG1 VAL 4 HG13 VAL 4 -7.829 4.559 4.036
40 1HG2 VAL 4 HG21 VAL 4 -7.190 1.287 2.856
41 2HG2 VAL 4 HG22 VAL 4 -8.276 0.571 4.047
42 3HG2 VAL 4 HG23 VAL 4 -6.542 0.629 4.359
43 H PHE 5 HN PHE 5 -5.086 4.841 4.845
44 HA PHE 5 HA PHE 5 -3.562 4.285 2.713
45 1HB PHE 5 HB2 PHE 5 -3.768 6.440 4.063
46 2HB PHE 5 HB1 PHE 5 -2.499 5.789 5.091
47 HD1 PHE 5 HD1 PHE 5 -0.652 7.137 4.705
48 HD2 PHE 5 HD2 PHE 5 -2.861 5.636 1.392
49 HE1 PHE 5 HE1 PHE 5 1.050 8.031 3.171
50 HE2 PHE 5 HE2 PHE 5 -1.163 6.527 -0.149
51 HZ PHE 5 HZ PHE 5 0.796 7.727 0.740
52 H LYS 6 HN LYS 6 -3.019 3.233 5.958
53 HA LYS 6 HA LYS 6 -0.350 2.387 5.716
54 1HB LYS 6 HB2 LYS 6 -2.433 2.220 7.679
55 2HB LYS 6 HB1 LYS 6 -1.693 0.635 7.504
56 1HG LYS 6 HG2 LYS 6 0.513 2.174 7.626
57 2HG LYS 6 HG1 LYS 6 -0.595 3.128 8.614
58 1HD LYS 6 HD2 LYS 6 -1.078 1.108 9.957
59 2HD LYS 6 HD1 LYS 6 0.114 0.220 9.004
60 1HE LYS 6 HE2 LYS 6 0.715 2.698 10.613
61 2HE LYS 6 HE1 LYS 6 0.977 1.051 11.186
62 1HZ LYS 6 HZ1 LYS 6 2.957 2.223 10.196
63 2HZ LYS 6 HZ2 LYS 6 2.201 2.071 8.691
64 3HZ LYS 6 HZ3 LYS 6 2.620 0.688 9.569
65 H ARG 7 HN ARG 7 -3.399 0.564 5.403
66 HA ARG 7 HA ARG 7 -2.167 -1.852 4.602
67 1HB ARG 7 HB2 ARG 7 -4.913 -0.753 4.624
68 2HB ARG 7 HB1 ARG 7 -4.607 -1.997 3.420
69 1HG ARG 7 HG2 ARG 7 -5.493 -2.962 5.461
70 2HG ARG 7 HG1 ARG 7 -3.842 -3.515 5.171
71 1HD ARG 7 HD2 ARG 7 -3.051 -2.515 7.023
72 2HD ARG 7 HD1 ARG 7 -4.045 -1.078 6.790
73 HE ARG 7 HE ARG 7 -4.669 -3.378 8.398
74 1HH1 ARG 7 HH11 ARG 7 -5.994 -0.670 6.640
75 2HH1 ARG 7 HH12 ARG 7 -7.458 -0.626 7.564
76 1HH2 ARG 7 HH21 ARG 7 -6.593 -3.321 9.615
77 2HH2 ARG 7 HH22 ARG 7 -7.798 -2.130 9.254
78 H LEU 8 HN LEU 8 -3.274 0.999 2.895
79 HA LEU 8 HA LEU 8 -2.980 -0.025 0.268
80 1HB LEU 8 HB2 LEU 8 -3.452 2.587 1.525
81 2HB LEU 8 HB1 LEU 8 -2.538 2.679 0.032
82 HG LEU 8 HG LEU 8 -4.383 1.333 -1.055
83 1HD1 LEU 8 HD11 LEU 8 -5.458 1.607 1.685
84 2HD1 LEU 8 HD12 LEU 8 -5.687 0.325 0.495
85 3HD1 LEU 8 HD13 LEU 8 -6.595 1.831 0.356
86 1HD2 LEU 8 HD21 LEU 8 -5.688 3.241 -1.503
87 2HD2 LEU 8 HD22 LEU 8 -4.071 3.850 -1.148
88 3HD2 LEU 8 HD23 LEU 8 -5.340 3.949 0.074
89 H GLU 9 HN GLU 9 -0.858 1.772 2.469
90 HA GLU 9 HA GLU 9 1.305 2.066 0.688
91 1HB GLU 9 HB2 GLU 9 0.811 2.998 3.154
92 2HB GLU 9 HB1 GLU 9 1.874 1.664 3.580
93 1HG GLU 9 HG2 GLU 9 3.447 2.653 1.788
94 2HG GLU 9 HG1 GLU 9 2.466 4.107 1.967
95 H LYS 10 HN LYS 10 0.162 -0.621 2.580
96 HA LYS 10 HA LYS 10 2.565 -2.149 2.512
97 1HB LYS 10 HB2 LYS 10 -0.260 -2.606 3.264
98 2HB LYS 10 HB1 LYS 10 0.632 -4.033 2.757
99 1HG LYS 10 HG2 LYS 10 2.272 -2.575 4.554
100 2HG LYS 10 HG1 LYS 10 0.665 -2.718 5.268
101 1HD LYS 10 HD2 LYS 10 2.059 -5.088 4.064
102 2HD LYS 10 HD1 LYS 10 2.366 -4.588 5.728
103 1HE LYS 10 HE2 LYS 10 -0.391 -5.131 4.647
104 2HE LYS 10 HE1 LYS 10 0.603 -6.366 5.419
105 1HZ LYS 10 HZ1 LYS 10 -0.913 -5.384 7.000
106 2HZ LYS 10 HZ2 LYS 10 -0.319 -3.835 6.671
107 3HZ LYS 10 HZ3 LYS 10 0.678 -4.982 7.414
108 H SER 11 HN SER 11 -0.341 -2.017 0.498
109 HA SER 11 HA SER 11 0.446 -4.119 -1.249
110 1HB SER 11 HB2 SER 11 -1.913 -3.077 -0.847
111 2HB SER 11 HB1 SER 11 -1.419 -1.917 -2.081
112 HG SER 11 HG SER 11 -2.429 -3.600 -3.116
113 H PHE 12 HN PHE 12 0.984 -0.662 -1.169
114 HA PHE 12 HA PHE 12 1.830 -0.301 -3.826
115 1HB PHE 12 HB2 PHE 12 1.290 1.471 -2.035
116 2HB PHE 12 HB1 PHE 12 2.952 1.245 -1.499
117 HD1 PHE 12 HD1 PHE 12 4.509 2.706 -2.321
118 HD2 PHE 12 HD2 PHE 12 1.094 1.796 -4.690
119 HE1 PHE 12 HE1 PHE 12 5.279 4.296 -4.033
120 HE2 PHE 12 HE2 PHE 12 1.858 3.383 -6.408
121 HZ PHE 12 HZ PHE 12 3.953 4.636 -6.081
122 H SER 13 HN SER 13 3.575 -1.245 -0.905
123 HA SER 13 HA SER 13 6.177 -1.128 -1.928
124 1HB SER 13 HB2 SER 13 5.588 -1.416 0.483
125 2HB SER 13 HB1 SER 13 5.134 -3.084 0.133
126 HG SER 13 HG SER 13 7.631 -1.942 0.372
127 H LYS 14 HN LYS 14 3.683 -3.570 -2.202
128 HA LYS 14 HA LYS 14 5.348 -5.633 -3.228
129 1HB LYS 14 HB2 LYS 14 3.099 -5.998 -2.208
130 2HB LYS 14 HB1 LYS 14 2.375 -5.259 -3.630
131 1HG LYS 14 HG2 LYS 14 2.224 -7.614 -3.883
132 2HG LYS 14 HG1 LYS 14 3.455 -7.039 -5.009
133 1HD LYS 14 HD2 LYS 14 4.349 -8.982 -4.002
134 2HD LYS 14 HD1 LYS 14 5.162 -7.619 -3.232
135 1HE LYS 14 HE2 LYS 14 4.617 -8.721 -1.339
136 2HE LYS 14 HE1 LYS 14 3.071 -7.905 -1.569
137 1HZ LYS 14 HZ1 LYS 14 2.068 -9.816 -2.303
138 2HZ LYS 14 HZ2 LYS 14 3.151 -10.453 -1.171
139 3HZ LYS 14 HZ3 LYS 14 3.514 -10.527 -2.821
140 H ILE 15 HN ILE 15 3.594 -2.964 -4.659
141 HA ILE 15 HA ILE 15 3.994 -3.889 -7.365
142 HB ILE 15 HB ILE 15 3.117 -1.139 -6.493
143 1HG1 ILE 15 HG12 ILE 15 1.401 -3.568 -7.053
144 2HG1 ILE 15 HG11 ILE 15 1.691 -2.876 -5.460
145 1HG2 ILE 15 HG21 ILE 15 3.479 -0.917 -8.729
146 2HG2 ILE 15 HG22 ILE 15 1.831 -1.545 -8.773
147 3HG2 ILE 15 HG23 ILE 15 3.195 -2.627 -9.058
148 1HD1 ILE 15 HD11 ILE 15 -0.193 -2.094 -7.512
149 2HD1 ILE 15 HD12 ILE 15 0.776 -0.738 -6.936
150 3HD1 ILE 15 HD13 ILE 15 -0.159 -1.702 -5.793
151 H GLN 16 HN GLN 16 5.551 -1.714 -5.117
152 HA GLN 16 HA GLN 16 7.144 -0.307 -6.984
153 1HB GLN 16 HB2 GLN 16 6.757 0.500 -4.697
154 2HB GLN 16 HB1 GLN 16 7.658 -0.868 -4.057
155 1HG GLN 16 HG2 GLN 16 9.661 -0.052 -5.261
156 2HG GLN 16 HG1 GLN 16 8.740 1.367 -5.755
157 1HE2 GLN 16 HE21 GLN 16 7.386 2.061 -3.548
158 2HE2 GLN 16 HE22 GLN 16 8.467 2.471 -2.265
159 H ASN 17 HN ASN 17 7.496 -3.383 -5.365
160 HA ASN 17 HA ASN 17 10.262 -3.711 -6.089
161 1HB ASN 17 HB2 ASN 17 8.508 -4.936 -4.279
162 2HB ASN 17 HB1 ASN 17 8.902 -6.190 -5.452
163 1HD2 ASN 17 HD21 ASN 17 10.312 -3.809 -3.275
164 2HD2 ASN 17 HD22 ASN 17 11.780 -4.673 -2.988
165 H ASP 18 HN ASP 18 7.150 -4.583 -7.415
166 HA ASP 18 HA ASP 18 7.953 -6.556 -9.232
167 1HB ASP 18 HB2 ASP 18 5.615 -4.802 -8.878
168 2HB ASP 18 HB1 ASP 18 5.889 -5.324 -10.537
169 H LYS 19 HN LYS 19 7.353 -5.889 -11.750
170 HA LYS 19 HA LYS 19 9.672 -4.676 -12.718
171 1HB LYS 19 HB2 LYS 19 7.002 -5.156 -14.045
172 2HB LYS 19 HB1 LYS 19 8.420 -4.577 -14.907
173 1HG LYS 19 HG2 LYS 19 9.303 -6.616 -15.037
174 2HG LYS 19 HG1 LYS 19 8.967 -6.962 -13.340
175 1HD LYS 19 HD2 LYS 19 7.082 -8.081 -13.823
176 2HD LYS 19 HD1 LYS 19 6.579 -6.896 -15.030
177 1HE LYS 19 HE2 LYS 19 8.448 -7.931 -16.483
178 2HE LYS 19 HE1 LYS 19 8.366 -9.280 -15.351
179 1HZ LYS 19 HZ1 LYS 19 6.124 -8.234 -16.994
180 2HZ LYS 19 HZ2 LYS 19 5.993 -9.481 -15.860
181 3HZ LYS 19 HZ3 LYS 19 6.951 -9.690 -17.239
182 1HN NH2 20 NH1 NH2 20 9.330 -2.824 -14.487
183 2HN NH2 20 NH2 NH2 20 8.649 -1.374 -13.842
Start of MODEL 17
1 1H ALA 1 HT1 ALA 1 -12.106 8.962 9.103
2 2H ALA 1 HT2 ALA 1 -11.201 9.336 10.512
3 3H ALA 1 HT3 ALA 1 -11.263 7.722 9.933
4 HA ALA 1 HA ALA 1 -10.217 9.910 8.298
5 1HB ALA 1 HB1 ALA 1 -8.695 10.183 9.953
6 2HB ALA 1 HB2 ALA 1 -7.967 8.773 9.182
7 3HB ALA 1 HB3 ALA 1 -8.967 8.574 10.621
8 H LYS 2 HN LYS 2 -9.167 9.165 6.474
9 HA LYS 2 HA LYS 2 -9.689 6.356 5.817
10 1HB LYS 2 HB2 LYS 2 -9.463 7.021 3.489
11 2HB LYS 2 HB1 LYS 2 -10.615 8.069 4.305
12 1HG LYS 2 HG2 LYS 2 -9.351 9.903 4.021
13 2HG LYS 2 HG1 LYS 2 -7.840 9.034 4.298
14 1HD LYS 2 HD2 LYS 2 -9.369 8.509 1.792
15 2HD LYS 2 HD1 LYS 2 -8.431 9.998 1.923
16 1HE LYS 2 HE2 LYS 2 -6.563 8.332 2.760
17 2HE LYS 2 HE1 LYS 2 -7.513 7.168 1.838
18 1HZ LYS 2 HZ1 LYS 2 -7.368 8.909 -0.019
19 2HZ LYS 2 HZ2 LYS 2 -5.998 7.971 0.305
20 3HZ LYS 2 HZ3 LYS 2 -6.086 9.562 0.873
21 H LYS 3 HN LYS 3 -7.641 6.413 7.477
22 HA LYS 3 HA LYS 3 -5.139 6.654 5.998
23 1HB LYS 3 HB2 LYS 3 -5.502 7.341 8.458
24 2HB LYS 3 HB1 LYS 3 -5.433 5.622 8.817
25 1HG LYS 3 HG2 LYS 3 -3.195 5.531 7.773
26 2HG LYS 3 HG1 LYS 3 -3.269 7.279 7.540
27 1HD LYS 3 HD2 LYS 3 -3.613 6.011 10.243
28 2HD LYS 3 HD1 LYS 3 -2.024 6.425 9.598
29 1HE LYS 3 HE2 LYS 3 -4.110 8.525 9.503
30 2HE LYS 3 HE1 LYS 3 -3.466 8.107 11.090
31 1HZ LYS 3 HZ1 LYS 3 -2.139 9.847 10.252
32 2HZ LYS 3 HZ2 LYS 3 -1.972 9.113 8.737
33 3HZ LYS 3 HZ3 LYS 3 -1.206 8.444 10.089
34 H VAL 4 HN VAL 4 -7.396 4.408 5.807
35 HA VAL 4 HA VAL 4 -6.158 1.964 6.407
36 HB VAL 4 HB VAL 4 -7.880 2.443 3.971
37 1HG1 VAL 4 HG11 VAL 4 -8.131 0.208 3.837
38 2HG1 VAL 4 HG12 VAL 4 -8.143 -0.003 5.588
39 3HG1 VAL 4 HG13 VAL 4 -6.612 0.185 4.733
40 1HG2 VAL 4 HG21 VAL 4 -8.604 2.384 6.858
41 2HG2 VAL 4 HG22 VAL 4 -9.703 1.641 5.696
42 3HG2 VAL 4 HG23 VAL 4 -9.279 3.346 5.543
43 H PHE 5 HN PHE 5 -5.470 4.385 4.178
44 HA PHE 5 HA PHE 5 -4.285 3.343 2.003
45 1HB PHE 5 HB2 PHE 5 -4.466 5.775 2.814
46 2HB PHE 5 HB1 PHE 5 -2.954 5.471 3.657
47 HD1 PHE 5 HD1 PHE 5 -1.246 6.567 2.580
48 HD2 PHE 5 HD2 PHE 5 -4.178 4.537 0.257
49 HE1 PHE 5 HE1 PHE 5 0.005 7.111 0.532
50 HE2 PHE 5 HE2 PHE 5 -2.933 5.077 -1.795
51 HZ PHE 5 HZ PHE 5 -0.838 6.365 -1.659
52 H LYS 6 HN LYS 6 -3.137 3.225 5.255
53 HA LYS 6 HA LYS 6 -0.469 2.497 4.805
54 1HB LYS 6 HB2 LYS 6 -1.545 3.175 7.013
55 2HB LYS 6 HB1 LYS 6 -2.146 1.525 7.118
56 1HG LYS 6 HG2 LYS 6 -0.041 0.635 7.436
57 2HG LYS 6 HG1 LYS 6 0.768 2.022 6.704
58 1HD LYS 6 HD2 LYS 6 -0.813 2.547 9.149
59 2HD LYS 6 HD1 LYS 6 0.668 1.610 9.352
60 1HE LYS 6 HE2 LYS 6 1.545 3.599 7.740
61 2HE LYS 6 HE1 LYS 6 0.295 4.445 8.652
62 1HZ LYS 6 HZ1 LYS 6 2.817 3.292 9.581
63 2HZ LYS 6 HZ2 LYS 6 1.503 3.256 10.645
64 3HZ LYS 6 HZ3 LYS 6 2.056 4.733 10.035
65 H ARG 7 HN ARG 7 -3.382 0.508 5.255
66 HA ARG 7 HA ARG 7 -2.071 -1.981 4.997
67 1HB ARG 7 HB2 ARG 7 -4.903 -1.051 4.743
68 2HB ARG 7 HB1 ARG 7 -4.487 -2.660 4.170
69 1HG ARG 7 HG2 ARG 7 -3.925 -3.409 6.297
70 2HG ARG 7 HG1 ARG 7 -3.733 -1.771 6.926
71 1HD ARG 7 HD2 ARG 7 -5.787 -2.855 7.740
72 2HD ARG 7 HD1 ARG 7 -6.120 -1.404 6.796
73 HE ARG 7 HE ARG 7 -6.245 -3.490 5.010
74 1HH1 ARG 7 HH11 ARG 7 -7.887 -2.604 7.959
75 2HH1 ARG 7 HH12 ARG 7 -9.368 -3.384 7.517
76 1HH2 ARG 7 HH21 ARG 7 -8.194 -4.517 4.426
77 2HH2 ARG 7 HH22 ARG 7 -9.542 -4.470 5.511
78 H LEU 8 HN LEU 8 -3.617 0.178 2.669
79 HA LEU 8 HA LEU 8 -3.266 -1.496 0.413
80 1HB LEU 8 HB2 LEU 8 -4.208 1.181 0.954
81 2HB LEU 8 HB1 LEU 8 -3.168 1.180 -0.457
82 HG LEU 8 HG LEU 8 -4.845 -0.989 -0.885
83 1HD1 LEU 8 HD11 LEU 8 -7.091 0.354 -0.699
84 2HD1 LEU 8 HD12 LEU 8 -6.247 1.159 0.625
85 3HD1 LEU 8 HD13 LEU 8 -6.483 -0.589 0.662
86 1HD2 LEU 8 HD21 LEU 8 -5.761 0.359 -2.668
87 2HD2 LEU 8 HD22 LEU 8 -4.030 0.666 -2.527
88 3HD2 LEU 8 HD23 LEU 8 -5.187 1.834 -1.890
89 H GLU 9 HN GLU 9 -1.309 1.003 1.952
90 HA GLU 9 HA GLU 9 0.718 1.142 0.003
91 1HB GLU 9 HB2 GLU 9 0.432 1.910 2.853
92 2HB GLU 9 HB1 GLU 9 2.078 1.709 2.266
93 1HG GLU 9 HG2 GLU 9 0.412 3.272 0.466
94 2HG GLU 9 HG1 GLU 9 0.556 3.982 2.073
95 H LYS 10 HN LYS 10 0.012 -1.163 2.517
96 HA LYS 10 HA LYS 10 2.572 -2.388 2.633
97 1HB LYS 10 HB2 LYS 10 0.762 -2.637 4.354
98 2HB LYS 10 HB1 LYS 10 -0.108 -3.659 3.218
99 1HG LYS 10 HG2 LYS 10 0.953 -5.356 4.190
100 2HG LYS 10 HG1 LYS 10 2.371 -4.825 3.284
101 1HD LYS 10 HD2 LYS 10 3.340 -3.841 5.114
102 2HD LYS 10 HD1 LYS 10 1.791 -3.523 5.897
103 1HE LYS 10 HE2 LYS 10 1.718 -5.560 6.882
104 2HE LYS 10 HE1 LYS 10 2.505 -6.363 5.524
105 1HZ LYS 10 HZ1 LYS 10 4.141 -4.525 7.083
106 2HZ LYS 10 HZ2 LYS 10 4.549 -6.009 6.381
107 3HZ LYS 10 HZ3 LYS 10 3.701 -5.971 7.844
108 H SER 11 HN SER 11 -0.397 -3.119 0.829
109 HA SER 11 HA SER 11 0.681 -5.387 -0.510
110 1HB SER 11 HB2 SER 11 -1.691 -3.637 -1.204
111 2HB SER 11 HB1 SER 11 -1.316 -5.179 -1.973
112 HG SER 11 HG SER 11 -2.507 -5.944 -0.412
113 H PHE 12 HN PHE 12 0.622 -1.956 -1.156
114 HA PHE 12 HA PHE 12 1.346 -2.092 -3.896
115 1HB PHE 12 HB2 PHE 12 0.532 -0.094 -2.218
116 2HB PHE 12 HB1 PHE 12 2.241 0.284 -2.405
117 HD1 PHE 12 HD1 PHE 12 3.003 -0.084 -5.020
118 HD2 PHE 12 HD2 PHE 12 -0.849 1.062 -3.620
119 HE1 PHE 12 HE1 PHE 12 2.533 0.973 -7.191
120 HE2 PHE 12 HE2 PHE 12 -1.327 2.119 -5.790
121 HZ PHE 12 HZ PHE 12 0.365 2.075 -7.579
122 H SER 13 HN SER 13 3.136 -2.324 -0.936
123 HA SER 13 HA SER 13 5.678 -1.551 -1.724
124 1HB SER 13 HB2 SER 13 4.604 -2.654 0.540
125 2HB SER 13 HB1 SER 13 5.621 -3.969 -0.047
126 HG SER 13 HG SER 13 7.293 -2.253 -0.234
127 H LYS 14 HN LYS 14 3.965 -4.563 -2.323
128 HA LYS 14 HA LYS 14 6.180 -6.004 -3.352
129 1HB LYS 14 HB2 LYS 14 3.633 -6.663 -2.664
130 2HB LYS 14 HB1 LYS 14 3.510 -6.672 -4.418
131 1HG LYS 14 HG2 LYS 14 5.637 -8.179 -2.924
132 2HG LYS 14 HG1 LYS 14 4.065 -8.872 -3.329
133 1HD LYS 14 HD2 LYS 14 4.851 -9.408 -5.338
134 2HD LYS 14 HD1 LYS 14 5.072 -7.693 -5.688
135 1HE LYS 14 HE2 LYS 14 7.299 -7.787 -5.377
136 2HE LYS 14 HE1 LYS 14 7.162 -8.889 -4.008
137 1HZ LYS 14 HZ1 LYS 14 7.533 -9.472 -6.824
138 2HZ LYS 14 HZ2 LYS 14 6.445 -10.485 -6.017
139 3HZ LYS 14 HZ3 LYS 14 8.036 -10.340 -5.462
140 H ILE 15 HN ILE 15 3.839 -3.814 -4.767
141 HA ILE 15 HA ILE 15 4.718 -4.352 -7.473
142 HB ILE 15 HB ILE 15 2.922 -2.110 -6.557
143 1HG1 ILE 15 HG12 ILE 15 2.156 -4.919 -7.385
144 2HG1 ILE 15 HG11 ILE 15 2.045 -4.267 -5.753
145 1HG2 ILE 15 HG21 ILE 15 3.663 -1.765 -8.780
146 2HG2 ILE 15 HG22 ILE 15 2.022 -2.401 -8.891
147 3HG2 ILE 15 HG23 ILE 15 3.400 -3.457 -9.204
148 1HD1 ILE 15 HD11 ILE 15 0.626 -2.837 -7.930
149 2HD1 ILE 15 HD12 ILE 15 0.199 -3.026 -6.229
150 3HD1 ILE 15 HD13 ILE 15 -0.039 -4.365 -7.353
151 H GLN 16 HN GLN 16 5.240 -1.958 -4.972
152 HA GLN 16 HA GLN 16 6.396 0.070 -6.520
153 1HB GLN 16 HB2 GLN 16 5.766 -0.169 -3.909
154 2HB GLN 16 HB1 GLN 16 7.508 -0.387 -3.812
155 1HG GLN 16 HG2 GLN 16 7.361 1.785 -5.415
156 2HG GLN 16 HG1 GLN 16 5.932 2.013 -4.408
157 1HE2 GLN 16 HE21 GLN 16 8.309 3.619 -4.469
158 2HE2 GLN 16 HE22 GLN 16 9.001 3.558 -2.887
159 H ASN 17 HN ASN 17 7.698 -2.923 -5.277
160 HA ASN 17 HA ASN 17 10.439 -2.256 -5.790
161 1HB ASN 17 HB2 ASN 17 8.947 -4.662 -4.882
162 2HB ASN 17 HB1 ASN 17 10.521 -4.929 -5.624
163 1HD2 ASN 17 HD21 ASN 17 11.286 -5.698 -3.624
164 2HD2 ASN 17 HD22 ASN 17 11.707 -4.609 -2.350
165 H ASP 18 HN ASP 18 8.007 -4.280 -7.406
166 HA ASP 18 HA ASP 18 9.793 -4.655 -9.679
167 1HB ASP 18 HB2 ASP 18 8.055 -6.366 -8.523
168 2HB ASP 18 HB1 ASP 18 7.021 -5.698 -9.783
169 H LYS 19 HN LYS 19 9.795 -3.262 -11.301
170 HA LYS 19 HA LYS 19 7.637 -1.360 -11.619
171 1HB LYS 19 HB2 LYS 19 10.223 -0.985 -11.886
172 2HB LYS 19 HB1 LYS 19 9.940 -1.571 -13.520
173 1HG LYS 19 HG2 LYS 19 8.142 0.559 -12.535
174 2HG LYS 19 HG1 LYS 19 9.818 1.004 -12.861
175 1HD LYS 19 HD2 LYS 19 9.171 1.252 -14.988
176 2HD LYS 19 HD1 LYS 19 9.148 -0.511 -15.056
177 1HE LYS 19 HE2 LYS 19 7.005 -0.269 -15.661
178 2HE LYS 19 HE1 LYS 19 6.713 0.047 -13.951
179 1HZ LYS 19 HZ1 LYS 19 6.690 1.875 -16.204
180 2HZ LYS 19 HZ2 LYS 19 7.411 2.472 -14.796
181 3HZ LYS 19 HZ3 LYS 19 5.811 1.924 -14.759
182 1HN NH2 20 NH1 NH2 20 9.252 -3.735 -13.709
183 2HN NH2 20 NH2 NH2 20 7.904 -3.994 -14.758
Start of MODEL 18
1 1H ALA 1 HT1 ALA 1 -12.442 5.412 10.307
2 2H ALA 1 HT2 ALA 1 -11.574 4.337 11.325
3 3H ALA 1 HT3 ALA 1 -11.568 4.104 9.625
4 HA ALA 1 HA ALA 1 -10.581 6.573 10.839
5 1HB ALA 1 HB1 ALA 1 -9.280 4.976 11.968
6 2HB ALA 1 HB2 ALA 1 -8.293 5.487 10.599
7 3HB ALA 1 HB3 ALA 1 -9.152 3.948 10.541
8 H LYS 2 HN LYS 2 -9.548 7.866 9.366
9 HA LYS 2 HA LYS 2 -9.932 7.131 6.563
10 1HB LYS 2 HB2 LYS 2 -9.497 9.541 6.124
11 2HB LYS 2 HB1 LYS 2 -10.866 9.261 7.192
12 1HG LYS 2 HG2 LYS 2 -8.583 9.532 8.828
13 2HG LYS 2 HG1 LYS 2 -8.532 10.832 7.637
14 1HD LYS 2 HD2 LYS 2 -10.309 11.882 8.532
15 2HD LYS 2 HD1 LYS 2 -11.179 10.372 8.811
16 1HE LYS 2 HE2 LYS 2 -10.438 10.190 10.929
17 2HE LYS 2 HE1 LYS 2 -8.826 10.778 10.521
18 1HZ LYS 2 HZ1 LYS 2 -11.229 12.310 11.252
19 2HZ LYS 2 HZ2 LYS 2 -10.040 13.035 10.293
20 3HZ LYS 2 HZ3 LYS 2 -9.646 12.458 11.833
21 H LYS 3 HN LYS 3 -7.876 5.757 7.769
22 HA LYS 3 HA LYS 3 -5.561 6.831 6.310
23 1HB LYS 3 HB2 LYS 3 -5.718 6.971 9.068
24 2HB LYS 3 HB1 LYS 3 -4.818 5.484 8.806
25 1HG LYS 3 HG2 LYS 3 -3.497 7.065 7.115
26 2HG LYS 3 HG1 LYS 3 -4.060 8.287 8.257
27 1HD LYS 3 HD2 LYS 3 -2.709 7.550 9.907
28 2HD LYS 3 HD1 LYS 3 -2.933 5.855 9.472
29 1HE LYS 3 HE2 LYS 3 -1.019 5.822 8.337
30 2HE LYS 3 HE1 LYS 3 -1.473 7.257 7.418
31 1HZ LYS 3 HZ1 LYS 3 -0.845 8.379 9.723
32 2HZ LYS 3 HZ2 LYS 3 0.299 8.097 8.510
33 3HZ LYS 3 HZ3 LYS 3 0.168 7.027 9.813
34 H VAL 4 HN VAL 4 -7.623 4.548 6.092
35 HA VAL 4 HA VAL 4 -6.303 2.093 6.391
36 HB VAL 4 HB VAL 4 -8.153 2.757 4.097
37 1HG1 VAL 4 HG11 VAL 4 -6.968 0.571 4.070
38 2HG1 VAL 4 HG12 VAL 4 -8.724 0.425 4.149
39 3HG1 VAL 4 HG13 VAL 4 -7.752 0.174 5.599
40 1HG2 VAL 4 HG21 VAL 4 -9.584 3.405 5.721
41 2HG2 VAL 4 HG22 VAL 4 -8.707 2.545 6.987
42 3HG2 VAL 4 HG23 VAL 4 -9.804 1.666 5.922
43 H PHE 5 HN PHE 5 -5.798 4.730 4.362
44 HA PHE 5 HA PHE 5 -4.684 3.914 2.053
45 1HB PHE 5 HB2 PHE 5 -4.917 6.265 3.043
46 2HB PHE 5 HB1 PHE 5 -3.375 5.959 3.830
47 HD1 PHE 5 HD1 PHE 5 -1.817 7.316 2.797
48 HD2 PHE 5 HD2 PHE 5 -4.558 5.115 0.398
49 HE1 PHE 5 HE1 PHE 5 -0.633 8.058 0.771
50 HE2 PHE 5 HE2 PHE 5 -3.379 5.853 -1.632
51 HZ PHE 5 HZ PHE 5 -1.414 7.326 -1.447
52 H LYS 6 HN LYS 6 -3.384 3.598 5.234
53 HA LYS 6 HA LYS 6 -0.716 3.013 4.643
54 1HB LYS 6 HB2 LYS 6 -2.367 3.012 6.943
55 2HB LYS 6 HB1 LYS 6 -1.613 1.425 6.868
56 1HG LYS 6 HG2 LYS 6 0.587 2.451 6.773
57 2HG LYS 6 HG1 LYS 6 -0.148 4.056 6.787
58 1HD LYS 6 HD2 LYS 6 -0.625 3.965 9.004
59 2HD LYS 6 HD1 LYS 6 -0.929 2.227 8.976
60 1HE LYS 6 HE2 LYS 6 1.727 2.290 8.451
61 2HE LYS 6 HE1 LYS 6 1.561 3.709 9.485
62 1HZ LYS 6 HZ1 LYS 6 1.801 2.180 11.099
63 2HZ LYS 6 HZ2 LYS 6 1.265 0.895 10.138
64 3HZ LYS 6 HZ3 LYS 6 0.144 1.935 10.862
65 H ARG 7 HN ARG 7 -3.536 0.870 4.969
66 HA ARG 7 HA ARG 7 -2.154 -1.535 4.464
67 1HB ARG 7 HB2 ARG 7 -4.992 -0.658 4.413
68 2HB ARG 7 HB1 ARG 7 -4.600 -2.118 3.515
69 1HG ARG 7 HG2 ARG 7 -5.178 -2.961 5.574
70 2HG ARG 7 HG1 ARG 7 -3.423 -2.843 5.711
71 1HD ARG 7 HD2 ARG 7 -3.979 -0.452 6.642
72 2HD ARG 7 HD1 ARG 7 -5.549 -1.179 6.979
73 HE ARG 7 HE ARG 7 -3.799 -2.958 8.028
74 1HH1 ARG 7 HH11 ARG 7 -4.233 0.484 8.406
75 2HH1 ARG 7 HH12 ARG 7 -3.638 0.507 10.032
76 1HH2 ARG 7 HH21 ARG 7 -3.017 -2.930 10.168
77 2HH2 ARG 7 HH22 ARG 7 -2.948 -1.430 11.033
78 H LEU 8 HN LEU 8 -3.777 0.778 2.344
79 HA LEU 8 HA LEU 8 -3.388 -0.663 -0.059
80 1HB LEU 8 HB2 LEU 8 -4.456 1.875 0.731
81 2HB LEU 8 HB1 LEU 8 -3.343 2.128 -0.600
82 HG LEU 8 HG LEU 8 -5.278 -0.076 -0.960
83 1HD1 LEU 8 HD11 LEU 8 -6.996 1.187 -0.218
84 2HD1 LEU 8 HD12 LEU 8 -6.841 1.930 -1.810
85 3HD1 LEU 8 HD13 LEU 8 -6.110 2.701 -0.402
86 1HD2 LEU 8 HD21 LEU 8 -3.498 1.167 -2.553
87 2HD2 LEU 8 HD22 LEU 8 -4.949 2.100 -2.920
88 3HD2 LEU 8 HD23 LEU 8 -4.944 0.352 -3.149
89 H GLU 9 HN GLU 9 -1.507 1.788 1.659
90 HA GLU 9 HA GLU 9 0.518 2.106 -0.271
91 1HB GLU 9 HB2 GLU 9 0.119 2.794 2.556
92 2HB GLU 9 HB1 GLU 9 1.802 2.520 2.125
93 1HG GLU 9 HG2 GLU 9 0.295 4.218 0.263
94 2HG GLU 9 HG1 GLU 9 0.524 4.883 1.880
95 H LYS 10 HN LYS 10 -0.110 -0.357 2.111
96 HA LYS 10 HA LYS 10 2.492 -1.498 2.160
97 1HB LYS 10 HB2 LYS 10 0.645 -1.887 3.847
98 2HB LYS 10 HB1 LYS 10 -0.116 -2.937 2.660
99 1HG LYS 10 HG2 LYS 10 2.048 -4.252 2.639
100 2HG LYS 10 HG1 LYS 10 2.508 -3.321 4.066
101 1HD LYS 10 HD2 LYS 10 1.496 -4.988 5.190
102 2HD LYS 10 HD1 LYS 10 0.014 -4.134 4.758
103 1HE LYS 10 HE2 LYS 10 0.408 -5.634 2.536
104 2HE LYS 10 HE1 LYS 10 1.087 -6.691 3.773
105 1HZ LYS 10 HZ1 LYS 10 -1.059 -6.286 5.022
106 2HZ LYS 10 HZ2 LYS 10 -1.165 -7.252 3.638
107 3HZ LYS 10 HZ3 LYS 10 -1.671 -5.639 3.583
108 H SER 11 HN SER 11 -0.416 -2.095 0.245
109 HA SER 11 HA SER 11 0.642 -4.321 -1.177
110 1HB SER 11 HB2 SER 11 -1.772 -2.602 -1.364
111 2HB SER 11 HB1 SER 11 -1.290 -3.446 -2.835
112 HG SER 11 HG SER 11 -2.721 -4.687 -1.536
113 H PHE 12 HN PHE 12 0.514 -0.846 -1.771
114 HA PHE 12 HA PHE 12 1.403 -0.862 -4.432
115 1HB PHE 12 HB2 PHE 12 0.576 1.073 -2.732
116 2HB PHE 12 HB1 PHE 12 2.310 1.377 -2.721
117 HD1 PHE 12 HD1 PHE 12 -0.753 1.844 -4.477
118 HD2 PHE 12 HD2 PHE 12 3.472 1.692 -4.966
119 HE1 PHE 12 HE1 PHE 12 -0.959 3.066 -6.602
120 HE2 PHE 12 HE2 PHE 12 3.274 2.914 -7.092
121 HZ PHE 12 HZ PHE 12 1.056 3.603 -7.913
122 H SER 13 HN SER 13 3.205 -0.699 -1.382
123 HA SER 13 HA SER 13 5.760 -0.336 -2.437
124 1HB SER 13 HB2 SER 13 6.390 -1.714 -0.257
125 2HB SER 13 HB1 SER 13 5.747 -0.076 -0.147
126 HG SER 13 HG SER 13 4.211 -2.456 0.034
127 H LYS 14 HN LYS 14 3.780 -3.197 -2.193
128 HA LYS 14 HA LYS 14 5.848 -5.090 -2.673
129 1HB LYS 14 HB2 LYS 14 2.888 -5.114 -2.575
130 2HB LYS 14 HB1 LYS 14 3.638 -6.380 -3.537
131 1HG LYS 14 HG2 LYS 14 5.105 -6.770 -1.444
132 2HG LYS 14 HG1 LYS 14 3.845 -5.865 -0.602
133 1HD LYS 14 HD2 LYS 14 2.181 -7.453 -1.222
134 2HD LYS 14 HD1 LYS 14 3.283 -8.260 -2.340
135 1HE LYS 14 HE2 LYS 14 4.730 -8.580 -0.169
136 2HE LYS 14 HE1 LYS 14 3.177 -8.364 0.637
137 1HZ LYS 14 HZ1 LYS 14 4.007 -10.719 -0.115
138 2HZ LYS 14 HZ2 LYS 14 3.322 -10.258 -1.591
139 3HZ LYS 14 HZ3 LYS 14 2.368 -10.306 -0.196
140 H ILE 15 HN ILE 15 3.796 -3.131 -4.711
141 HA ILE 15 HA ILE 15 4.413 -4.547 -7.134
142 HB ILE 15 HB ILE 15 3.300 -1.753 -6.894
143 1HG1 ILE 15 HG12 ILE 15 1.791 -4.375 -6.985
144 2HG1 ILE 15 HG11 ILE 15 1.974 -3.364 -5.556
145 1HG2 ILE 15 HG21 ILE 15 3.322 -3.818 -9.077
146 2HG2 ILE 15 HG22 ILE 15 3.956 -2.173 -9.118
147 3HG2 ILE 15 HG23 ILE 15 2.214 -2.446 -9.077
148 1HD1 ILE 15 HD11 ILE 15 0.255 -3.005 -7.930
149 2HD1 ILE 15 HD12 ILE 15 0.933 -1.552 -7.196
150 3HD1 ILE 15 HD13 ILE 15 -0.058 -2.648 -6.232
151 H GLN 16 HN GLN 16 5.728 -1.826 -5.384
152 HA GLN 16 HA GLN 16 7.248 -0.661 -7.437
153 1HB GLN 16 HB2 GLN 16 7.743 -0.754 -4.457
154 2HB GLN 16 HB1 GLN 16 8.631 0.269 -5.578
155 1HG GLN 16 HG2 GLN 16 6.613 1.463 -6.148
156 2HG GLN 16 HG1 GLN 16 5.659 0.388 -5.127
157 1HE2 GLN 16 HE21 GLN 16 5.760 3.200 -4.896
158 2HE2 GLN 16 HE22 GLN 16 6.442 3.582 -3.355
159 H ASN 17 HN ASN 17 7.819 -3.437 -5.392
160 HA ASN 17 HA ASN 17 10.594 -3.703 -5.984
161 1HB ASN 17 HB2 ASN 17 8.994 -4.793 -4.106
162 2HB ASN 17 HB1 ASN 17 9.045 -6.124 -5.258
163 1HD2 ASN 17 HD21 ASN 17 11.163 -3.850 -3.563
164 2HD2 ASN 17 HD22 ASN 17 12.463 -4.964 -3.332
165 H ASP 18 HN ASP 18 7.632 -4.889 -7.436
166 HA ASP 18 HA ASP 18 8.860 -6.792 -9.156
167 1HB ASP 18 HB2 ASP 18 6.282 -6.244 -8.442
168 2HB ASP 18 HB1 ASP 18 6.333 -5.588 -10.076
169 H LYS 19 HN LYS 19 10.373 -6.154 -10.560
170 HA LYS 19 HA LYS 19 10.170 -3.595 -11.911
171 1HB LYS 19 HB2 LYS 19 12.261 -5.683 -11.587
172 2HB LYS 19 HB1 LYS 19 12.336 -4.692 -13.038
173 1HG LYS 19 HG2 LYS 19 12.005 -2.770 -11.195
174 2HG LYS 19 HG1 LYS 19 12.847 -3.980 -10.226
175 1HD LYS 19 HD2 LYS 19 14.702 -4.001 -11.703
176 2HD LYS 19 HD1 LYS 19 13.825 -3.079 -12.926
177 1HE LYS 19 HE2 LYS 19 14.338 -1.942 -10.201
178 2HE LYS 19 HE1 LYS 19 15.564 -1.858 -11.465
179 1HZ LYS 19 HZ1 LYS 19 13.723 0.007 -11.117
180 2HZ LYS 19 HZ2 LYS 19 12.885 -0.988 -12.198
181 3HZ LYS 19 HZ3 LYS 19 14.389 -0.347 -12.632
182 1HN NH2 20 NH1 NH2 20 9.577 -3.279 -13.964
183 2HN NH2 20 NH2 NH2 20 9.141 -4.521 -15.083
Start of MODEL 19
1 1H ALA 1 HT1 ALA 1 -10.350 9.086 9.229
2 2H ALA 1 HT2 ALA 1 -9.191 7.851 9.505
3 3H ALA 1 HT3 ALA 1 -10.354 8.225 10.711
4 HA ALA 1 HA ALA 1 -11.147 6.328 9.777
5 1HB ALA 1 HB1 ALA 1 -12.414 8.783 8.630
6 2HB ALA 1 HB2 ALA 1 -12.982 7.737 9.931
7 3HB ALA 1 HB3 ALA 1 -13.055 7.183 8.258
8 H LYS 2 HN LYS 2 -9.716 8.453 7.406
9 HA LYS 2 HA LYS 2 -9.902 6.376 5.349
10 1HB LYS 2 HB2 LYS 2 -10.115 9.156 5.244
11 2HB LYS 2 HB1 LYS 2 -8.541 8.811 4.540
12 1HG LYS 2 HG2 LYS 2 -10.916 7.251 3.642
13 2HG LYS 2 HG1 LYS 2 -10.672 8.894 3.045
14 1HD LYS 2 HD2 LYS 2 -8.467 6.863 2.947
15 2HD LYS 2 HD1 LYS 2 -9.697 6.934 1.685
16 1HE LYS 2 HE2 LYS 2 -9.088 9.147 1.093
17 2HE LYS 2 HE1 LYS 2 -8.086 9.329 2.532
18 1HZ LYS 2 HZ1 LYS 2 -6.598 7.624 1.641
19 2HZ LYS 2 HZ2 LYS 2 -6.719 8.951 0.599
20 3HZ LYS 2 HZ3 LYS 2 -7.544 7.518 0.241
21 H LYS 3 HN LYS 3 -8.196 5.926 7.578
22 HA LYS 3 HA LYS 3 -5.484 6.407 6.596
23 1HB LYS 3 HB2 LYS 3 -6.507 6.378 9.122
24 2HB LYS 3 HB1 LYS 3 -5.875 4.741 9.008
25 1HG LYS 3 HG2 LYS 3 -3.754 5.426 9.137
26 2HG LYS 3 HG1 LYS 3 -4.024 6.776 8.032
27 1HD LYS 3 HD2 LYS 3 -5.388 7.622 10.215
28 2HD LYS 3 HD1 LYS 3 -4.097 6.688 10.974
29 1HE LYS 3 HE2 LYS 3 -2.932 8.603 10.790
30 2HE LYS 3 HE1 LYS 3 -2.695 8.078 9.124
31 1HZ LYS 3 HZ1 LYS 3 -3.483 10.416 9.405
32 2HZ LYS 3 HZ2 LYS 3 -4.952 9.802 9.975
33 3HZ LYS 3 HZ3 LYS 3 -4.451 9.463 8.396
34 H VAL 4 HN VAL 4 -7.621 4.369 5.522
35 HA VAL 4 HA VAL 4 -6.569 1.787 5.863
36 HB VAL 4 HB VAL 4 -7.749 2.827 3.282
37 1HG1 VAL 4 HG11 VAL 4 -8.455 0.551 2.933
38 2HG1 VAL 4 HG12 VAL 4 -7.855 0.081 4.524
39 3HG1 VAL 4 HG13 VAL 4 -6.723 0.572 3.264
40 1HG2 VAL 4 HG21 VAL 4 -9.499 3.424 4.581
41 2HG2 VAL 4 HG22 VAL 4 -9.016 2.366 5.907
42 3HG2 VAL 4 HG23 VAL 4 -9.860 1.699 4.509
43 H PHE 5 HN PHE 5 -5.391 4.557 4.374
44 HA PHE 5 HA PHE 5 -3.811 3.922 2.301
45 1HB PHE 5 HB2 PHE 5 -4.086 6.137 3.540
46 2HB PHE 5 HB1 PHE 5 -2.827 5.559 4.623
47 HD1 PHE 5 HD1 PHE 5 -0.532 5.458 3.925
48 HD2 PHE 5 HD2 PHE 5 -3.575 6.680 1.213
49 HE1 PHE 5 HE1 PHE 5 1.188 6.303 2.381
50 HE2 PHE 5 HE2 PHE 5 -1.861 7.526 -0.336
51 HZ PHE 5 HZ PHE 5 0.525 7.337 0.247
52 H LYS 6 HN LYS 6 -3.346 3.026 5.602
53 HA LYS 6 HA LYS 6 -0.655 2.224 5.481
54 1HB LYS 6 HB2 LYS 6 -2.599 2.322 7.447
55 2HB LYS 6 HB1 LYS 6 -2.318 0.597 7.257
56 1HG LYS 6 HG2 LYS 6 0.006 2.445 7.545
57 2HG LYS 6 HG1 LYS 6 -0.925 1.972 8.967
58 1HD LYS 6 HD2 LYS 6 -0.106 -0.197 7.127
59 2HD LYS 6 HD1 LYS 6 1.174 0.576 8.063
60 1HE LYS 6 HE2 LYS 6 -0.307 0.200 10.098
61 2HE LYS 6 HE1 LYS 6 -1.265 -0.864 9.069
62 1HZ LYS 6 HZ1 LYS 6 0.674 -1.806 10.504
63 2HZ LYS 6 HZ2 LYS 6 1.638 -1.273 9.220
64 3HZ LYS 6 HZ3 LYS 6 0.407 -2.399 8.942
65 H ARG 7 HN ARG 7 -3.659 0.334 5.144
66 HA ARG 7 HA ARG 7 -2.347 -2.088 4.485
67 1HB ARG 7 HB2 ARG 7 -5.150 -1.075 4.039
68 2HB ARG 7 HB1 ARG 7 -4.632 -2.643 3.436
69 1HG ARG 7 HG2 ARG 7 -5.490 -3.298 5.426
70 2HG ARG 7 HG1 ARG 7 -3.846 -2.929 5.952
71 1HD ARG 7 HD2 ARG 7 -5.295 -0.513 6.057
72 2HD ARG 7 HD1 ARG 7 -6.321 -1.750 6.782
73 HE ARG 7 HE ARG 7 -3.869 -0.688 7.842
74 1HH1 ARG 7 HH11 ARG 7 -6.055 -3.408 7.861
75 2HH1 ARG 7 HH12 ARG 7 -5.553 -3.960 9.424
76 1HH2 ARG 7 HH21 ARG 7 -3.208 -1.412 9.897
77 2HH2 ARG 7 HH22 ARG 7 -3.937 -2.827 10.580
78 H LEU 8 HN LEU 8 -3.492 0.654 2.633
79 HA LEU 8 HA LEU 8 -3.101 -0.479 0.061
80 1HB LEU 8 HB2 LEU 8 -3.324 2.335 1.095
81 2HB LEU 8 HB1 LEU 8 -2.937 2.025 -0.587
82 HG LEU 8 HG LEU 8 -5.304 0.585 0.403
83 1HD1 LEU 8 HD11 LEU 8 -5.482 2.747 1.608
84 2HD1 LEU 8 HD12 LEU 8 -6.766 2.487 0.427
85 3HD1 LEU 8 HD13 LEU 8 -5.429 3.575 0.051
86 1HD2 LEU 8 HD21 LEU 8 -4.678 0.525 -1.926
87 2HD2 LEU 8 HD22 LEU 8 -4.703 2.286 -2.013
88 3HD2 LEU 8 HD23 LEU 8 -6.202 1.395 -1.752
89 H GLU 9 HN GLU 9 -1.096 1.415 2.271
90 HA GLU 9 HA GLU 9 1.103 1.776 0.553
91 1HB GLU 9 HB2 GLU 9 0.613 1.942 3.469
92 2HB GLU 9 HB1 GLU 9 2.285 1.694 2.986
93 1HG GLU 9 HG2 GLU 9 0.543 3.904 1.926
94 2HG GLU 9 HG1 GLU 9 1.627 4.074 3.305
95 H LYS 10 HN LYS 10 -0.005 -0.957 2.404
96 HA LYS 10 HA LYS 10 2.450 -2.397 2.418
97 1HB LYS 10 HB2 LYS 10 -0.413 -3.332 2.679
98 2HB LYS 10 HB1 LYS 10 0.987 -4.370 2.910
99 1HG LYS 10 HG2 LYS 10 1.578 -2.330 4.591
100 2HG LYS 10 HG1 LYS 10 -0.184 -2.352 4.685
101 1HD LYS 10 HD2 LYS 10 0.492 -5.023 4.820
102 2HD LYS 10 HD1 LYS 10 1.770 -4.235 5.747
103 1HE LYS 10 HE2 LYS 10 0.321 -4.301 7.451
104 2HE LYS 10 HE1 LYS 10 -0.468 -2.947 6.644
105 1HZ LYS 10 HZ1 LYS 10 -2.091 -4.608 7.151
106 2HZ LYS 10 HZ2 LYS 10 -1.180 -5.819 6.400
107 3HZ LYS 10 HZ3 LYS 10 -1.873 -4.586 5.473
108 H SER 11 HN SER 11 -0.357 -2.329 0.270
109 HA SER 11 HA SER 11 0.557 -4.412 -1.440
110 1HB SER 11 HB2 SER 11 -1.827 -3.180 -1.132
111 2HB SER 11 HB1 SER 11 -1.240 -2.340 -2.566
112 HG SER 11 HG SER 11 -1.599 -5.129 -2.215
113 H PHE 12 HN PHE 12 1.018 -0.945 -1.333
114 HA PHE 12 HA PHE 12 2.029 -0.609 -3.950
115 1HB PHE 12 HB2 PHE 12 1.291 1.130 -2.084
116 2HB PHE 12 HB1 PHE 12 3.014 1.117 -1.725
117 HD1 PHE 12 HD1 PHE 12 0.437 2.259 -3.968
118 HD2 PHE 12 HD2 PHE 12 4.639 1.770 -3.497
119 HE1 PHE 12 HE1 PHE 12 0.825 3.851 -5.804
120 HE2 PHE 12 HE2 PHE 12 5.034 3.362 -5.331
121 HZ PHE 12 HZ PHE 12 3.125 4.404 -6.487
122 H SER 13 HN SER 13 3.518 -1.524 -0.905
123 HA SER 13 HA SER 13 6.207 -1.207 -1.614
124 1HB SER 13 HB2 SER 13 4.720 -2.771 0.429
125 2HB SER 13 HB1 SER 13 6.375 -3.278 0.089
126 HG SER 13 HG SER 13 6.648 -1.757 1.594
127 H LYS 14 HN LYS 14 3.907 -3.731 -2.347
128 HA LYS 14 HA LYS 14 5.792 -5.672 -3.220
129 1HB LYS 14 HB2 LYS 14 2.861 -5.337 -3.880
130 2HB LYS 14 HB1 LYS 14 3.824 -6.749 -4.295
131 1HG LYS 14 HG2 LYS 14 4.225 -7.163 -1.912
132 2HG LYS 14 HG1 LYS 14 3.226 -5.765 -1.512
133 1HD LYS 14 HD2 LYS 14 1.582 -7.302 -1.371
134 2HD LYS 14 HD1 LYS 14 1.542 -7.129 -3.127
135 1HE LYS 14 HE2 LYS 14 2.941 -9.054 -3.410
136 2HE LYS 14 HE1 LYS 14 3.222 -9.164 -1.673
137 1HZ LYS 14 HZ1 LYS 14 0.820 -9.865 -3.212
138 2HZ LYS 14 HZ2 LYS 14 0.649 -9.384 -1.599
139 3HZ LYS 14 HZ3 LYS 14 1.599 -10.730 -1.983
140 H ILE 15 HN ILE 15 4.098 -3.027 -4.783
141 HA ILE 15 HA ILE 15 4.931 -3.782 -7.435
142 HB ILE 15 HB ILE 15 3.848 -1.101 -6.583
143 1HG1 ILE 15 HG12 ILE 15 2.318 -3.581 -7.405
144 2HG1 ILE 15 HG11 ILE 15 2.341 -2.872 -5.793
145 1HG2 ILE 15 HG21 ILE 15 4.869 -1.858 -8.974
146 2HG2 ILE 15 HG22 ILE 15 3.634 -0.617 -8.768
147 3HG2 ILE 15 HG23 ILE 15 3.167 -2.263 -9.194
148 1HD1 ILE 15 HD11 ILE 15 0.307 -2.347 -7.094
149 2HD1 ILE 15 HD12 ILE 15 1.314 -1.474 -8.250
150 3HD1 ILE 15 HD13 ILE 15 1.202 -0.917 -6.580
151 H GLN 16 HN GLN 16 6.173 -1.826 -4.855
152 HA GLN 16 HA GLN 16 7.812 -0.045 -6.206
153 1HB GLN 16 HB2 GLN 16 7.904 -1.338 -3.522
154 2HB GLN 16 HB1 GLN 16 9.332 -0.472 -4.071
155 1HG GLN 16 HG2 GLN 16 6.789 0.966 -4.387
156 2HG GLN 16 HG1 GLN 16 7.287 0.655 -2.725
157 1HE2 GLN 16 HE21 GLN 16 8.107 2.239 -5.719
158 2HE2 GLN 16 HE22 GLN 16 9.292 3.309 -5.060
159 H ASN 17 HN ASN 17 8.292 -3.452 -5.516
160 HA ASN 17 HA ASN 17 10.980 -3.372 -6.656
161 1HB ASN 17 HB2 ASN 17 10.491 -4.663 -4.550
162 2HB ASN 17 HB1 ASN 17 9.509 -5.757 -5.521
163 1HD2 ASN 17 HD21 ASN 17 12.162 -5.896 -3.986
164 2HD2 ASN 17 HD22 ASN 17 13.216 -6.706 -5.090
165 H ASP 18 HN ASP 18 7.854 -4.969 -7.188
166 HA ASP 18 HA ASP 18 8.754 -6.099 -9.698
167 1HB ASP 18 HB2 ASP 18 6.171 -6.209 -8.156
168 2HB ASP 18 HB1 ASP 18 6.278 -6.816 -9.806
169 H LYS 19 HN LYS 19 8.777 -4.963 -11.511
170 HA LYS 19 HA LYS 19 7.591 -2.420 -11.792
171 1HB LYS 19 HB2 LYS 19 9.594 -3.374 -13.056
172 2HB LYS 19 HB1 LYS 19 8.424 -4.196 -14.080
173 1HG LYS 19 HG2 LYS 19 7.555 -2.154 -14.890
174 2HG LYS 19 HG1 LYS 19 8.410 -1.222 -13.659
175 1HD LYS 19 HD2 LYS 19 10.472 -2.509 -14.866
176 2HD LYS 19 HD1 LYS 19 9.365 -2.299 -16.223
177 1HE LYS 19 HE2 LYS 19 9.338 0.146 -14.885
178 2HE LYS 19 HE1 LYS 19 11.028 -0.355 -14.880
179 1HZ LYS 19 HZ1 LYS 19 10.804 -0.728 -17.312
180 2HZ LYS 19 HZ2 LYS 19 10.631 0.890 -16.848
181 3HZ LYS 19 HZ3 LYS 19 9.265 -0.026 -17.243
182 1HN NH2 20 NH1 NH2 20 6.056 -1.843 -13.544
183 2HN NH2 20 NH2 NH2 20 4.679 -2.859 -13.787
Start of MODEL 20
1 1H ALA 1 HT1 ALA 1 -9.609 10.332 8.206
2 2H ALA 1 HT2 ALA 1 -10.501 10.159 9.662
3 3H ALA 1 HT3 ALA 1 -11.134 9.550 8.188
4 HA ALA 1 HA ALA 1 -8.609 8.625 9.357
5 1HB ALA 1 HB1 ALA 1 -11.413 7.883 10.000
6 2HB ALA 1 HB2 ALA 1 -9.989 7.940 11.039
7 3HB ALA 1 HB3 ALA 1 -10.208 6.598 9.917
8 H LYS 2 HN LYS 2 -8.946 9.224 6.680
9 HA LYS 2 HA LYS 2 -9.589 6.684 5.371
10 1HB LYS 2 HB2 LYS 2 -10.094 9.306 4.652
11 2HB LYS 2 HB1 LYS 2 -8.722 8.874 3.640
12 1HG LYS 2 HG2 LYS 2 -10.447 6.696 3.467
13 2HG LYS 2 HG1 LYS 2 -11.493 8.117 3.408
14 1HD LYS 2 HD2 LYS 2 -9.049 8.252 1.763
15 2HD LYS 2 HD1 LYS 2 -10.254 7.069 1.251
16 1HE LYS 2 HE2 LYS 2 -10.793 9.050 0.101
17 2HE LYS 2 HE1 LYS 2 -11.955 8.942 1.423
18 1HZ LYS 2 HZ1 LYS 2 -10.910 10.633 2.586
19 2HZ LYS 2 HZ2 LYS 2 -10.806 11.172 0.986
20 3HZ LYS 2 HZ3 LYS 2 -9.456 10.480 1.734
21 H LYS 3 HN LYS 3 -7.242 6.851 6.989
22 HA LYS 3 HA LYS 3 -5.030 6.968 5.069
23 1HB LYS 3 HB2 LYS 3 -4.957 7.993 7.429
24 2HB LYS 3 HB1 LYS 3 -4.803 6.341 8.011
25 1HG LYS 3 HG2 LYS 3 -2.908 6.630 5.958
26 2HG LYS 3 HG1 LYS 3 -2.799 8.085 6.950
27 1HD LYS 3 HD2 LYS 3 -3.023 5.980 8.771
28 2HD LYS 3 HD1 LYS 3 -1.921 5.392 7.525
29 1HE LYS 3 HE2 LYS 3 -1.653 7.977 9.055
30 2HE LYS 3 HE1 LYS 3 -0.710 6.512 9.326
31 1HZ LYS 3 HZ1 LYS 3 0.569 6.899 7.532
32 2HZ LYS 3 HZ2 LYS 3 0.096 8.505 7.769
33 3HZ LYS 3 HZ3 LYS 3 -0.693 7.554 6.614
34 H VAL 4 HN VAL 4 -7.196 4.761 5.353
35 HA VAL 4 HA VAL 4 -5.959 2.388 6.180
36 HB VAL 4 HB VAL 4 -8.343 2.467 5.575
37 1HG1 VAL 4 HG11 VAL 4 -7.620 3.906 3.428
38 2HG1 VAL 4 HG12 VAL 4 -9.157 3.049 3.550
39 3HG1 VAL 4 HG13 VAL 4 -7.809 2.321 2.676
40 1HG2 VAL 4 HG21 VAL 4 -8.164 0.269 5.329
41 2HG2 VAL 4 HG22 VAL 4 -6.488 0.445 4.811
42 3HG2 VAL 4 HG23 VAL 4 -7.789 0.493 3.621
43 H PHE 5 HN PHE 5 -5.389 4.491 3.612
44 HA PHE 5 HA PHE 5 -4.318 3.159 1.538
45 1HB PHE 5 HB2 PHE 5 -4.463 5.676 2.004
46 2HB PHE 5 HB1 PHE 5 -2.920 5.489 2.826
47 HD1 PHE 5 HD1 PHE 5 -1.013 5.908 1.618
48 HD2 PHE 5 HD2 PHE 5 -4.504 4.607 -0.439
49 HE1 PHE 5 HE1 PHE 5 0.163 6.159 -0.529
50 HE2 PHE 5 HE2 PHE 5 -3.334 4.855 -2.589
51 HZ PHE 5 HZ PHE 5 -0.998 5.631 -2.636
52 H LYS 6 HN LYS 6 -2.982 3.512 4.702
53 HA LYS 6 HA LYS 6 -0.346 2.701 4.217
54 1HB LYS 6 HB2 LYS 6 -1.988 3.235 6.501
55 2HB LYS 6 HB1 LYS 6 -1.140 1.719 6.768
56 1HG LYS 6 HG2 LYS 6 0.888 3.226 5.851
57 2HG LYS 6 HG1 LYS 6 -0.105 4.470 6.614
58 1HD LYS 6 HD2 LYS 6 0.157 2.079 8.254
59 2HD LYS 6 HD1 LYS 6 1.714 2.823 7.884
60 1HE LYS 6 HE2 LYS 6 0.552 5.029 8.568
61 2HE LYS 6 HE1 LYS 6 -0.639 3.979 9.334
62 1HZ LYS 6 HZ1 LYS 6 2.140 3.378 9.922
63 2HZ LYS 6 HZ2 LYS 6 0.794 3.385 10.945
64 3HZ LYS 6 HZ3 LYS 6 1.562 4.839 10.550
65 H ARG 7 HN ARG 7 -3.220 0.815 5.131
66 HA ARG 7 HA ARG 7 -1.941 -1.695 5.167
67 1HB ARG 7 HB2 ARG 7 -4.745 -0.732 5.017
68 2HB ARG 7 HB1 ARG 7 -4.449 -2.371 4.455
69 1HG ARG 7 HG2 ARG 7 -4.506 -3.077 6.549
70 2HG ARG 7 HG1 ARG 7 -3.084 -2.095 6.904
71 1HD ARG 7 HD2 ARG 7 -5.908 -1.046 6.963
72 2HD ARG 7 HD1 ARG 7 -5.063 -1.666 8.381
73 HE ARG 7 HE ARG 7 -3.571 0.367 7.048
74 1HH1 ARG 7 HH11 ARG 7 -6.214 -0.169 9.263
75 2HH1 ARG 7 HH12 ARG 7 -6.044 1.372 10.034
76 1HH2 ARG 7 HH21 ARG 7 -3.345 2.393 8.061
77 2HH2 ARG 7 HH22 ARG 7 -4.416 2.827 9.352
78 H LEU 8 HN LEU 8 -3.559 0.132 2.618
79 HA LEU 8 HA LEU 8 -3.346 -1.845 0.608
80 1HB LEU 8 HB2 LEU 8 -3.833 1.097 0.659
81 2HB LEU 8 HB1 LEU 8 -3.378 0.365 -0.868
82 HG LEU 8 HG LEU 8 -5.615 -0.875 0.657
83 1HD1 LEU 8 HD11 LEU 8 -5.640 1.845 -0.523
84 2HD1 LEU 8 HD12 LEU 8 -6.554 1.187 0.834
85 3HD1 LEU 8 HD13 LEU 8 -7.035 0.808 -0.820
86 1HD2 LEU 8 HD21 LEU 8 -6.156 -1.787 -1.337
87 2HD2 LEU 8 HD22 LEU 8 -4.463 -1.450 -1.701
88 3HD2 LEU 8 HD23 LEU 8 -5.721 -0.338 -2.242
89 H GLU 9 HN GLU 9 -1.284 0.857 1.605
90 HA GLU 9 HA GLU 9 0.663 0.560 -0.412
91 1HB GLU 9 HB2 GLU 9 0.336 2.492 1.263
92 2HB GLU 9 HB1 GLU 9 1.269 1.508 2.382
93 1HG GLU 9 HG2 GLU 9 3.142 1.498 0.826
94 2HG GLU 9 HG1 GLU 9 2.206 2.461 -0.315
95 H LYS 10 HN LYS 10 0.052 -1.141 2.568
96 HA LYS 10 HA LYS 10 2.610 -2.377 2.789
97 1HB LYS 10 HB2 LYS 10 0.236 -2.290 4.306
98 2HB LYS 10 HB1 LYS 10 0.495 -3.985 3.917
99 1HG LYS 10 HG2 LYS 10 1.606 -3.710 5.931
100 2HG LYS 10 HG1 LYS 10 2.898 -3.595 4.734
101 1HD LYS 10 HD2 LYS 10 3.460 -1.652 5.671
102 2HD LYS 10 HD1 LYS 10 1.964 -0.988 5.012
103 1HE LYS 10 HE2 LYS 10 1.440 -0.537 7.141
104 2HE LYS 10 HE1 LYS 10 1.087 -2.260 7.269
105 1HZ LYS 10 HZ1 LYS 10 3.860 -1.462 7.669
106 2HZ LYS 10 HZ2 LYS 10 2.949 -2.646 8.462
107 3HZ LYS 10 HZ3 LYS 10 2.767 -1.018 8.882
108 H SER 11 HN SER 11 -0.483 -3.326 1.362
109 HA SER 11 HA SER 11 0.375 -5.914 0.550
110 1HB SER 11 HB2 SER 11 -1.685 -5.423 -1.123
111 2HB SER 11 HB1 SER 11 -1.906 -5.904 0.559
112 HG SER 11 HG SER 11 -2.575 -3.950 1.042
113 H PHE 12 HN PHE 12 0.559 -2.726 -0.849
114 HA PHE 12 HA PHE 12 1.293 -3.714 -3.469
115 1HB PHE 12 HB2 PHE 12 0.005 -1.525 -2.879
116 2HB PHE 12 HB1 PHE 12 1.612 -0.861 -2.602
117 HD1 PHE 12 HD1 PHE 12 -0.434 -2.622 -5.155
118 HD2 PHE 12 HD2 PHE 12 2.855 -0.037 -4.376
119 HE1 PHE 12 HE1 PHE 12 -0.199 -2.201 -7.567
120 HE2 PHE 12 HE2 PHE 12 3.096 0.390 -6.787
121 HZ PHE 12 HZ PHE 12 1.567 -0.693 -8.386
122 H SER 13 HN SER 13 2.945 -3.844 -0.738
123 HA SER 13 HA SER 13 5.357 -2.498 -1.175
124 1HB SER 13 HB2 SER 13 6.252 -3.804 0.564
125 2HB SER 13 HB1 SER 13 4.529 -3.741 0.934
126 HG SER 13 HG SER 13 4.327 -5.802 -0.039
127 H LYS 14 HN LYS 14 4.387 -5.805 -2.040
128 HA LYS 14 HA LYS 14 6.804 -6.605 -3.197
129 1HB LYS 14 HB2 LYS 14 4.120 -7.613 -2.998
130 2HB LYS 14 HB1 LYS 14 4.713 -7.850 -4.636
131 1HG LYS 14 HG2 LYS 14 6.844 -8.730 -3.304
132 2HG LYS 14 HG1 LYS 14 5.603 -9.073 -2.097
133 1HD LYS 14 HD2 LYS 14 4.896 -9.861 -4.834
134 2HD LYS 14 HD1 LYS 14 6.276 -10.727 -4.155
135 1HE LYS 14 HE2 LYS 14 4.850 -11.163 -2.121
136 2HE LYS 14 HE1 LYS 14 3.484 -10.536 -3.044
137 1HZ LYS 14 HZ1 LYS 14 3.513 -12.322 -4.468
138 2HZ LYS 14 HZ2 LYS 14 3.964 -13.064 -3.016
139 3HZ LYS 14 HZ3 LYS 14 5.139 -12.690 -4.175
140 H ILE 15 HN ILE 15 4.008 -4.950 -4.585
141 HA ILE 15 HA ILE 15 5.093 -4.930 -7.245
142 HB ILE 15 HB ILE 15 2.851 -3.219 -6.176
143 1HG1 ILE 15 HG12 ILE 15 2.733 -5.999 -7.369
144 2HG1 ILE 15 HG11 ILE 15 2.404 -5.582 -5.689
145 1HG2 ILE 15 HG21 ILE 15 2.110 -3.175 -8.497
146 2HG2 ILE 15 HG22 ILE 15 3.486 -4.173 -8.965
147 3HG2 ILE 15 HG23 ILE 15 3.749 -2.542 -8.347
148 1HD1 ILE 15 HD11 ILE 15 0.465 -4.310 -6.348
149 2HD1 ILE 15 HD12 ILE 15 0.365 -5.944 -7.005
150 3HD1 ILE 15 HD13 ILE 15 0.821 -4.600 -8.051
151 H GLN 16 HN GLN 16 5.369 -2.929 -4.447
152 HA GLN 16 HA GLN 16 5.876 -0.429 -5.527
153 1HB GLN 16 HB2 GLN 16 5.852 -1.390 -3.031
154 2HB GLN 16 HB1 GLN 16 7.592 -1.322 -3.270
155 1HG GLN 16 HG2 GLN 16 6.802 1.124 -4.181
156 2HG GLN 16 HG1 GLN 16 5.661 0.830 -2.870
157 1HE2 GLN 16 HE21 GLN 16 6.299 1.253 -0.872
158 2HE2 GLN 16 HE22 GLN 16 7.928 1.538 -0.373
159 H ASN 17 HN ASN 17 7.893 -3.273 -5.456
160 HA ASN 17 HA ASN 17 10.345 -1.979 -6.082
161 1HB ASN 17 HB2 ASN 17 9.543 -4.579 -5.431
162 2HB ASN 17 HB1 ASN 17 10.200 -4.706 -7.060
163 1HD2 ASN 17 HD21 ASN 17 12.289 -5.046 -7.186
164 2HD2 ASN 17 HD22 ASN 17 13.465 -4.639 -5.988
165 H ASP 18 HN ASP 18 8.095 -3.884 -8.090
166 HA ASP 18 HA ASP 18 9.407 -2.972 -10.509
167 1HB ASP 18 HB2 ASP 18 7.393 -5.027 -9.812
168 2HB ASP 18 HB1 ASP 18 7.240 -4.312 -11.414
169 H LYS 19 HN LYS 19 9.012 -0.808 -10.741
170 HA LYS 19 HA LYS 19 6.276 0.176 -10.581
171 1HB LYS 19 HB2 LYS 19 8.976 1.452 -10.774
172 2HB LYS 19 HB1 LYS 19 7.556 2.375 -11.248
173 1HG LYS 19 HG2 LYS 19 6.636 2.268 -9.083
174 2HG LYS 19 HG1 LYS 19 7.774 1.016 -8.580
175 1HD LYS 19 HD2 LYS 19 8.899 2.742 -7.671
176 2HD LYS 19 HD1 LYS 19 9.477 2.991 -9.320
177 1HE LYS 19 HE2 LYS 19 8.683 5.073 -9.047
178 2HE LYS 19 HE1 LYS 19 7.117 4.333 -9.377
179 1HZ LYS 19 HZ1 LYS 19 6.987 3.968 -6.890
180 2HZ LYS 19 HZ2 LYS 19 6.828 5.564 -7.427
181 3HZ LYS 19 HZ3 LYS 19 8.289 5.040 -6.755
182 1HN NH2 20 NH1 NH2 20 5.954 2.012 -12.390
183 2HN NH2 20 NH2 NH2 20 6.087 1.407 -14.002
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