NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
3357 |
1dlz   |
4601 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H TRP 2 H TRP 2 -2.817 11.492 -0.115
2 HA TRP 2 HA TRP 2 -3.716 8.765 0.522
3 1HB TRP 2 1HB TRP 2 -4.393 10.528 -1.901
4 2HB TRP 2 2HB TRP 2 -5.082 8.943 -1.632
5 HD1 TRP 2 HD1 TRP 2 -5.824 12.516 -0.851
6 HE1 TRP 2 HE1 TRP 2 -7.759 12.820 0.919
7 HE3 TRP 2 HE3 TRP 2 -5.894 7.672 0.758
8 HZ2 TRP 2 HZ2 TRP 2 -8.993 11.039 2.789
9 HZ3 TRP 2 HZ3 TRP 2 -7.450 7.034 2.567
10 HH2 TRP 2 HH2 TRP 2 -8.972 8.692 3.573
11 H ILE 3 H ILE 3 -1.296 10.021 -1.693
12 HA ILE 3 HA ILE 3 -0.905 7.467 -3.126
13 HB ILE 3 HB ILE 3 0.983 9.865 -2.974
14 1HG1 ILE 3 1HG1 ILE 3 -0.857 8.984 -5.301
15 2HG1 ILE 3 2HG1 ILE 3 -1.269 10.251 -4.162
16 1HG2 ILE 3 1HG2 ILE 3 1.195 7.403 -4.841
17 2HG2 ILE 3 2HG2 ILE 3 2.212 8.861 -4.942
18 3HG2 ILE 3 3HG2 ILE 3 2.319 7.819 -3.526
19 1HD1 ILE 3 1HD1 ILE 3 1.058 10.401 -6.162
20 2HD1 ILE 3 2HD1 ILE 3 -0.456 11.321 -6.169
21 3HD1 ILE 3 3HD1 ILE 3 0.745 11.611 -4.888
22 H GLN 4 H GLN 4 0.607 8.855 -0.279
23 HA GLN 4 HA GLN 4 2.256 6.408 0.195
24 1HB GLN 4 1HB GLN 4 1.831 8.934 1.839
25 2HB GLN 4 2HB GLN 4 2.562 7.541 2.601
26 1HG GLN 4 1HG GLN 4 3.692 8.681 -0.024
27 2HG GLN 4 2HG GLN 4 4.142 9.289 1.565
28 1HE2 GLN 4 2HE2 GLN 4 6.306 8.687 0.923
29 2HE2 GLN 4 1HE2 GLN 4 6.864 6.957 1.172
30 1HN DIV 5 H DIV 5 -0.986 7.328 1.205
31 1HB1 DIV 5 1HB1 DIV 5 -0.612 4.636 3.816
32 2HB1 DIV 5 2HB1 DIV 5 -1.418 6.139 4.193
33 1HG1 DIV 5 1HG1 DIV 5 -2.951 3.470 3.900
34 2HG1 DIV 5 2HG1 DIV 5 -2.339 4.133 5.433
35 3HG1 DIV 5 3HG1 DIV 5 -3.583 5.010 4.525
36 1HB2 DIV 5 1HB2 DIV 5 -3.340 6.421 0.882
37 2HB2 DIV 5 2HB2 DIV 5 -3.971 5.512 2.240
38 3HB2 DIV 5 3HB2 DIV 5 -3.213 7.090 2.519
39 H ILE 6 H ILE 6 -2.039 5.163 -0.506
40 HA ILE 6 HA ILE 6 -2.209 2.292 -0.563
41 HB ILE 6 HB ILE 6 -2.128 2.331 -3.006
42 1HG1 ILE 6 1HG1 ILE 6 -2.033 5.405 -2.889
43 2HG1 ILE 6 2HG1 ILE 6 -0.638 4.413 -3.267
44 1HG2 ILE 6 1HG2 ILE 6 -4.185 4.297 -1.828
45 2HG2 ILE 6 2HG2 ILE 6 -4.363 3.324 -3.306
46 3HG2 ILE 6 3HG2 ILE 6 -4.272 2.521 -1.732
47 1HD1 ILE 6 1HD1 ILE 6 -3.205 4.519 -4.960
48 2HD1 ILE 6 2HD1 ILE 6 -1.619 5.220 -5.351
49 3HD1 ILE 6 3HD1 ILE 6 -1.808 3.452 -5.282
50 H THR 7 H THR 7 0.670 4.283 -1.359
51 HA THR 7 HA THR 7 2.281 2.032 -2.234
52 HB THR 7 HB THR 7 3.284 4.704 -1.107
53 HG1 THR 7 HG1 THR 7 3.314 5.253 -3.275
54 1HG2 THR 7 1HG2 THR 7 5.283 4.330 -2.592
55 2HG2 THR 7 2HG2 THR 7 5.206 3.096 -1.316
56 3HG2 THR 7 3HG2 THR 7 4.705 2.692 -2.980
57 1HN AIB 8 H AIB 8 1.914 3.301 1.030
58 1HB1 AIB 8 1HB1 AIB 8 1.047 2.851 3.344
59 2HB1 AIB 8 2HB1 AIB 8 2.200 2.141 4.484
60 3HB1 AIB 8 3HB1 AIB 8 2.649 3.587 3.563
61 1HB2 AIB 8 1HB2 AIB 8 4.762 2.461 2.661
62 2HB2 AIB 8 2HB2 AIB 8 4.354 1.068 3.684
63 3HB2 AIB 8 3HB2 AIB 8 4.689 0.831 1.963
64 H LEU 9 H LEU 9 0.361 1.138 1.260
65 HA LEU 9 HA LEU 9 0.081 -1.608 2.391
66 1HB LEU 9 1HB LEU 9 -1.833 0.321 1.010
67 2HB LEU 9 2HB LEU 9 -2.062 -1.361 0.743
68 HG LEU 9 HG LEU 9 -1.747 -1.343 3.561
69 1HD1 LEU 9 1HD1 LEU 9 -3.500 1.068 2.773
70 2HD1 LEU 9 2HD1 LEU 9 -3.349 0.357 4.399
71 3HD1 LEU 9 3HD1 LEU 9 -1.947 1.143 3.646
72 1HD2 LEU 9 1HD2 LEU 9 -3.330 -2.773 2.300
73 2HD2 LEU 9 2HD2 LEU 9 -4.151 -1.927 3.623
74 3HD2 LEU 9 3HD2 LEU 9 -4.364 -1.369 1.942
75 1HN AIB 10 H AIB 10 1.510 -0.282 -0.467
76 1HB1 AIB 10 1HB1 AIB 10 3.567 -0.846 -2.058
77 2HB1 AIB 10 2HB1 AIB 10 3.081 -1.677 -3.536
78 3HB1 AIB 10 3HB1 AIB 10 2.231 -0.206 -3.015
79 1HB2 AIB 10 1HB2 AIB 10 -0.006 -1.196 -3.040
80 2HB2 AIB 10 2HB2 AIB 10 0.741 -2.646 -3.766
81 3HB2 AIB 10 3HB2 AIB 10 -0.328 -2.806 -2.360
82 HA HYP 11 HA HYP 11 4.037 -5.602 -0.945
83 1HB HYP 11 1HB HYP 11 5.334 -5.360 1.449
84 2HB HYP 11 2HB HYP 11 5.930 -4.581 -0.030
85 1HD HYP 11 1HD HYP 11 3.111 -2.008 0.803
86 2HD HYP 11 2HD HYP 11 4.430 -1.780 -0.351
87 HOD HYP 11 HOD HYP 11 6.565 -3.054 2.080
88 HG HYP 11 HG HYP 11 4.300 -3.331 2.246
89 H GLN 12 H GLN 12 1.723 -4.064 1.195
90 HA GLN 12 HA GLN 12 0.952 -6.566 2.508
91 1HB GLN 12 1HB GLN 12 -0.337 -3.804 2.743
92 2HB GLN 12 2HB GLN 12 -0.769 -5.214 3.689
93 1HG GLN 12 1HG GLN 12 1.511 -5.315 4.720
94 2HG GLN 12 2HG GLN 12 2.006 -3.894 3.810
95 1HE2 GLN 12 2HE2 GLN 12 0.881 -4.803 6.769
96 2HE2 GLN 12 1HE2 GLN 12 0.169 -3.195 7.294
97 1HN AIB 13 H AIB 13 0.284 -5.442 -0.608
98 1HB1 AIB 13 1HB1 AIB 13 -0.281 -5.706 -2.926
99 2HB1 AIB 13 2HB1 AIB 13 -1.897 -6.222 -3.423
100 3HB1 AIB 13 3HB1 AIB 13 -1.665 -4.692 -2.554
101 1HB2 AIB 13 1HB2 AIB 13 -3.249 -5.128 -0.765
102 2HB2 AIB 13 2HB2 AIB 13 -3.719 -6.553 -1.718
103 3HB2 AIB 13 3HB2 AIB 13 -3.386 -6.723 0.000
104 HA HYP 14 HA HYP 14 -0.464 -10.431 -2.660
105 1HB HYP 14 1HB HYP 14 2.222 -11.016 -2.286
106 2HB HYP 14 2HB HYP 14 1.595 -10.016 -3.606
107 1HD HYP 14 1HD HYP 14 1.424 -7.082 -1.116
108 2HD HYP 14 2HD HYP 14 1.171 -7.246 -2.855
109 HOD HYP 14 HOD HYP 14 3.076 -8.130 -3.548
110 HG HYP 14 HG HYP 14 2.654 -9.050 -0.877
111 1HN AIB 15 H AIB 15 1.080 -9.662 0.517
112 1HB1 AIB 15 1HB1 AIB 15 0.684 -9.459 2.993
113 2HB1 AIB 15 2HB1 AIB 15 1.064 -10.910 3.934
114 3HB1 AIB 15 3HB1 AIB 15 2.230 -10.252 2.775
115 1HB2 AIB 15 1HB2 AIB 15 2.556 -12.280 1.455
116 2HB2 AIB 15 2HB2 AIB 15 1.602 -13.118 2.699
117 3HB2 AIB 15 3HB2 AIB 15 1.197 -13.322 0.986
118 HA PRO 16 HA PRO 16 -3.530 -12.266 3.013
119 1HB PRO 16 1HB PRO 16 -5.269 -10.227 2.373
120 2HB PRO 16 2HB PRO 16 -4.229 -10.213 3.810
121 1HG PRO 16 1HG PRO 16 -3.775 -8.796 1.151
122 2HG PRO 16 2HG PRO 16 -3.552 -8.149 2.790
123 1HD PRO 16 1HD PRO 16 -1.493 -9.182 1.178
124 2HD PRO 16 2HD PRO 16 -1.380 -9.106 2.941
125 H1 PHL 17 H1 PHL 17 -2.458 -11.731 -2.666
126 H2 PHL 17 H2 PHL 17 -3.662 -12.750 -3.461
127 HO PHL 17 HO PHL 17 -3.393 -14.275 -1.794
128 HA PHL 17 HA PHL 17 -5.110 -12.690 -1.417
129 1HN PHL 17 H PHL 17 -3.212 -10.583 -0.209
130 1HB PHL 17 1HB PHL 17 -4.388 -9.879 -2.469
131 2HB PHL 17 2HB PHL 17 -5.386 -11.036 -3.305
132 HD1 PHL 17 HD1 PHL 17 -7.616 -11.822 -2.237
133 HD2 PHL 17 HD2 PHL 17 -5.401 -8.455 -0.730
134 HE1 PHL 17 HE1 PHL 17 -9.608 -11.044 -1.022
135 HE2 PHL 17 HE2 PHL 17 -7.404 -7.692 0.478
136 HZ PHL 17 HZ PHL 17 -9.507 -8.984 0.341
137 1H ACE 1 H1 ACE 1 -1.434 12.588 1.570
138 2H ACE 1 H2 ACE 1 -0.180 11.521 2.274
139 3H ACE 1 H3 ACE 1 -0.229 11.784 0.516
Start of MODEL 2
1 H TRP 2 H TRP 2 -3.233 11.529 -0.358
2 HA TRP 2 HA TRP 2 -3.585 8.809 0.682
3 1HB TRP 2 1HB TRP 2 -4.809 10.057 -1.848
4 2HB TRP 2 2HB TRP 2 -5.264 8.508 -1.179
5 HD1 TRP 2 HD1 TRP 2 -6.301 8.560 1.506
6 HE1 TRP 2 HE1 TRP 2 -7.890 10.294 2.703
7 HE3 TRP 2 HE3 TRP 2 -5.526 12.401 -1.766
8 HZ2 TRP 2 HZ2 TRP 2 -8.587 13.016 2.148
9 HZ3 TRP 2 HZ3 TRP 2 -6.662 14.559 -1.368
10 HH2 TRP 2 HH2 TRP 2 -8.165 14.864 0.558
11 H ILE 3 H ILE 3 -1.452 9.983 -1.795
12 HA ILE 3 HA ILE 3 -1.058 7.427 -3.167
13 HB ILE 3 HB ILE 3 0.826 9.823 -3.017
14 1HG1 ILE 3 1HG1 ILE 3 -0.979 8.863 -5.338
15 2HG1 ILE 3 2HG1 ILE 3 -1.387 10.169 -4.246
16 1HG2 ILE 3 1HG2 ILE 3 1.138 7.331 -4.829
17 2HG2 ILE 3 2HG2 ILE 3 2.121 8.811 -4.939
18 3HG2 ILE 3 3HG2 ILE 3 2.224 7.804 -3.503
19 1HD1 ILE 3 1HD1 ILE 3 0.928 10.226 -6.263
20 2HD1 ILE 3 2HD1 ILE 3 -0.570 11.172 -6.285
21 3HD1 ILE 3 3HD1 ILE 3 0.653 11.484 -5.028
22 H GLN 4 H GLN 4 0.475 8.755 -0.296
23 HA GLN 4 HA GLN 4 2.159 6.313 0.050
24 1HB GLN 4 1HB GLN 4 1.858 8.691 1.946
25 2HB GLN 4 2HB GLN 4 2.816 7.272 2.327
26 1HG GLN 4 1HG GLN 4 3.301 9.145 -0.051
27 2HG GLN 4 2HG GLN 4 4.213 9.099 1.451
28 1HE2 GLN 4 2HE2 GLN 4 4.483 8.219 -1.673
29 2HE2 GLN 4 1HE2 GLN 4 5.610 6.786 -1.474
30 1HB1 DIV 5 1HB1 DIV 5 -0.494 4.491 3.829
31 2HB1 DIV 5 2HB1 DIV 5 -1.371 5.933 4.281
32 1HG1 DIV 5 1HG1 DIV 5 -2.752 3.191 3.896
33 2HG1 DIV 5 2HG1 DIV 5 -2.193 3.852 5.448
34 3HG1 DIV 5 3HG1 DIV 5 -3.488 4.671 4.554
35 1HB2 DIV 5 1HB2 DIV 5 -3.296 6.348 1.012
36 2HB2 DIV 5 2HB2 DIV 5 -3.914 5.363 2.329
37 3HB2 DIV 5 3HB2 DIV 5 -3.159 6.930 2.683
38 H DIV 5 H DIV 5 -0.972 7.274 1.414
39 H ILE 6 H ILE 6 -1.955 5.173 -0.433
40 HA ILE 6 HA ILE 6 -2.164 2.335 -0.774
41 HB ILE 6 HB ILE 6 -1.439 4.438 -2.860
42 1HG1 ILE 6 1HG1 ILE 6 -3.651 4.944 -1.981
43 2HG1 ILE 6 2HG1 ILE 6 -3.761 4.389 -3.628
44 1HG2 ILE 6 1HG2 ILE 6 -2.304 1.526 -3.375
45 2HG2 ILE 6 2HG2 ILE 6 -2.199 2.797 -4.622
46 3HG2 ILE 6 3HG2 ILE 6 -0.741 2.265 -3.783
47 1HD1 ILE 6 1HD1 ILE 6 -4.490 2.701 -1.135
48 2HD1 ILE 6 2HD1 ILE 6 -5.621 3.481 -2.261
49 3HD1 ILE 6 3HD1 ILE 6 -4.608 2.128 -2.820
50 H THR 7 H THR 7 0.819 4.331 -1.345
51 HA THR 7 HA THR 7 2.417 2.101 -2.227
52 HB THR 7 HB THR 7 3.464 4.689 -0.962
53 HG1 THR 7 HG1 THR 7 3.519 5.366 -3.096
54 1HG2 THR 7 1HG2 THR 7 5.462 4.362 -2.443
55 2HG2 THR 7 2HG2 THR 7 5.343 3.042 -1.261
56 3HG2 THR 7 3HG2 THR 7 4.850 2.771 -2.954
57 1HB1 AIB 8 1HB1 AIB 8 1.245 2.851 3.408
58 2HB1 AIB 8 2HB1 AIB 8 2.426 2.133 4.512
59 3HB1 AIB 8 3HB1 AIB 8 2.859 3.570 3.568
60 1HB2 AIB 8 1HB2 AIB 8 4.939 2.357 2.636
61 2HB2 AIB 8 2HB2 AIB 8 4.505 0.965 3.650
62 3HB2 AIB 8 3HB2 AIB 8 4.788 0.739 1.918
63 H AIB 8 H AIB 8 2.099 3.314 1.066
64 H LEU 9 H LEU 9 0.492 1.175 1.304
65 HA LEU 9 HA LEU 9 0.075 -1.521 2.506
66 1HB LEU 9 1HB LEU 9 -1.655 0.336 0.784
67 2HB LEU 9 2HB LEU 9 -2.094 -1.317 1.035
68 HG LEU 9 HG LEU 9 -1.754 0.681 3.343
69 1HD1 LEU 9 1HD1 LEU 9 -4.332 -0.332 1.968
70 2HD1 LEU 9 2HD1 LEU 9 -4.254 0.737 3.392
71 3HD1 LEU 9 3HD1 LEU 9 -3.653 1.308 1.825
72 1HD2 LEU 9 1HD2 LEU 9 -1.467 -1.649 4.189
73 2HD2 LEU 9 2HD2 LEU 9 -3.049 -1.038 4.691
74 3HD2 LEU 9 3HD2 LEU 9 -2.935 -2.183 3.333
75 1HB1 AIB 10 1HB1 AIB 10 3.562 -0.892 -2.053
76 2HB1 AIB 10 2HB1 AIB 10 2.987 -1.675 -3.523
77 3HB1 AIB 10 3HB1 AIB 10 2.205 -0.191 -2.941
78 1HB2 AIB 10 1HB2 AIB 10 -0.050 -1.172 -2.957
79 2HB2 AIB 10 2HB2 AIB 10 0.667 -2.633 -3.684
80 3HB2 AIB 10 3HB2 AIB 10 -0.379 -2.773 -2.258
81 H AIB 10 H AIB 10 1.520 -0.264 -0.414
82 HA HYP 11 HA HYP 11 4.025 -5.585 -0.917
83 1HB HYP 11 1HB HYP 11 5.292 -5.377 1.508
84 2HB HYP 11 2HB HYP 11 5.907 -4.592 0.038
85 1HD HYP 11 1HD HYP 11 3.109 -1.989 0.847
86 2HD HYP 11 2HD HYP 11 4.430 -1.802 -0.307
87 HOD HYP 11 HOD HYP 11 6.550 -3.108 2.103
88 HG HYP 11 HG HYP 11 4.253 -3.350 2.294
89 H GLN 12 H GLN 12 1.679 -4.113 1.237
90 HA GLN 12 HA GLN 12 0.867 -6.695 2.390
91 1HB GLN 12 1HB GLN 12 -0.080 -3.839 2.919
92 2HB GLN 12 2HB GLN 12 -0.875 -5.233 3.616
93 1HG GLN 12 1HG GLN 12 1.118 -5.928 4.862
94 2HG GLN 12 2HG GLN 12 2.106 -4.694 4.096
95 1HE2 GLN 12 2HE2 GLN 12 2.567 -3.299 5.723
96 2HE2 GLN 12 1HE2 GLN 12 1.338 -2.552 6.862
97 1HB1 AIB 13 1HB1 AIB 13 -0.228 -5.713 -2.978
98 2HB1 AIB 13 2HB1 AIB 13 -1.841 -6.203 -3.501
99 3HB1 AIB 13 3HB1 AIB 13 -1.600 -4.676 -2.634
100 1HB2 AIB 13 1HB2 AIB 13 -3.240 -5.094 -0.883
101 2HB2 AIB 13 2HB2 AIB 13 -3.691 -6.504 -1.869
102 3HB2 AIB 13 3HB2 AIB 13 -3.422 -6.698 -0.143
103 H AIB 13 H AIB 13 0.309 -5.476 -0.629
104 HA HYP 14 HA HYP 14 -0.431 -10.421 -2.718
105 1HB HYP 14 1HB HYP 14 2.234 -11.020 -2.269
106 2HB HYP 14 2HB HYP 14 1.642 -10.028 -3.614
107 1HD HYP 14 1HD HYP 14 1.425 -7.076 -1.141
108 2HD HYP 14 2HD HYP 14 1.213 -7.253 -2.886
109 HOD HYP 14 HOD HYP 14 3.115 -8.118 -3.531
110 HG HYP 14 HG HYP 14 2.659 -9.049 -0.874
111 1HB1 AIB 15 1HB1 AIB 15 0.707 -9.425 2.934
112 2HB1 AIB 15 2HB1 AIB 15 1.060 -10.872 3.892
113 3HB1 AIB 15 3HB1 AIB 15 2.237 -10.251 2.723
114 1HB2 AIB 15 1HB2 AIB 15 2.509 -12.316 1.429
115 2HB2 AIB 15 2HB2 AIB 15 1.536 -13.108 2.685
116 3HB2 AIB 15 3HB2 AIB 15 1.121 -13.325 0.976
117 H AIB 15 H AIB 15 1.136 -9.691 0.450
118 HA PRO 16 HA PRO 16 -3.538 -12.108 3.041
119 1HB PRO 16 1HB PRO 16 -5.247 -10.043 2.409
120 2HB PRO 16 2HB PRO 16 -4.163 -10.022 3.812
121 1HG PRO 16 1HG PRO 16 -3.723 -8.715 1.086
122 2HG PRO 16 2HG PRO 16 -3.498 -7.995 2.697
123 1HD PRO 16 1HD PRO 16 -1.418 -9.076 1.178
124 2HD PRO 16 2HD PRO 16 -1.362 -9.033 2.947
125 H1 PHL 17 H1 PHL 17 -4.101 -12.646 -3.465
126 H2 PHL 17 H2 PHL 17 -2.831 -12.915 -2.279
127 HO PHL 17 HO PHL 17 -2.390 -10.663 -2.375
128 HA PHL 17 HA PHL 17 -5.129 -12.753 -1.322
129 1HB PHL 17 1HB PHL 17 -5.073 -9.792 -2.171
130 2HB PHL 17 2HB PHL 17 -6.054 -11.037 -2.901
131 HD1 PHL 17 HD1 PHL 17 -7.718 -12.372 -1.265
132 HD2 PHL 17 HD2 PHL 17 -6.023 -8.525 -0.337
133 HE1 PHL 17 HE1 PHL 17 -9.484 -11.985 0.402
134 HE2 PHL 17 HE2 PHL 17 -7.802 -8.153 1.319
135 HZ PHL 17 HZ PHL 17 -9.539 -9.874 1.688
136 H PHL 17 H PHL 17 -3.202 -10.592 -0.276
137 H1 ACE 1 H1 ACE 1 -0.755 12.373 -0.249
138 H2 ACE 1 H2 ACE 1 -1.845 12.994 1.027
139 H3 ACE 1 H3 ACE 1 -0.272 12.251 1.459
Start of MODEL 3
1 H TRP 2 H TRP 2 -3.275 11.566 -0.538
2 HA TRP 2 HA TRP 2 -3.673 8.898 0.594
3 1HB TRP 2 1HB TRP 2 -5.392 8.500 -0.927
4 2HB TRP 2 2HB TRP 2 -5.543 10.154 -0.430
5 HD1 TRP 2 HD1 TRP 2 -5.027 7.940 -3.523
6 HE1 TRP 2 HE1 TRP 2 -5.155 9.301 -5.778
7 HE3 TRP 2 HE3 TRP 2 -4.973 12.582 -1.395
8 HZ2 TRP 2 HZ2 TRP 2 -5.204 12.098 -6.374
9 HZ3 TRP 2 HZ3 TRP 2 -5.054 14.569 -2.865
10 HH2 TRP 2 HH2 TRP 2 -5.165 14.331 -5.312
11 H ILE 3 H ILE 3 -1.393 9.983 -1.803
12 HA ILE 3 HA ILE 3 -0.998 7.372 -3.003
13 HB ILE 3 HB ILE 3 -0.387 9.394 -4.218
14 1HG1 ILE 3 1HG1 ILE 3 1.672 8.651 -5.325
15 2HG1 ILE 3 2HG1 ILE 3 2.065 7.553 -4.014
16 1HG2 ILE 3 1HG2 ILE 3 2.119 9.650 -2.436
17 2HG2 ILE 3 2HG2 ILE 3 1.716 10.631 -3.867
18 3HG2 ILE 3 3HG2 ILE 3 0.715 10.744 -2.407
19 1HD1 ILE 3 1HD1 ILE 3 -0.440 7.285 -5.820
20 2HD1 ILE 3 2HD1 ILE 3 1.084 6.387 -6.023
21 3HD1 ILE 3 3HD1 ILE 3 0.086 6.114 -4.580
22 H GLN 4 H GLN 4 0.371 8.682 -0.077
23 HA GLN 4 HA GLN 4 2.216 6.340 0.231
24 1HB GLN 4 1HB GLN 4 1.654 8.566 2.252
25 2HB GLN 4 2HB GLN 4 2.727 7.207 2.549
26 1HG GLN 4 1HG GLN 4 3.090 9.294 0.345
27 2HG GLN 4 2HG GLN 4 3.958 9.233 1.879
28 1HE2 GLN 4 2HE2 GLN 4 5.061 9.260 -0.775
29 2HE2 GLN 4 1HE2 GLN 4 6.057 7.727 -0.937
30 1HB1 DIV 5 1HB1 DIV 5 -0.531 4.351 3.846
31 2HB1 DIV 5 2HB1 DIV 5 -1.397 5.785 4.334
32 1HG1 DIV 5 1HG1 DIV 5 -2.801 3.067 3.901
33 2HG1 DIV 5 2HG1 DIV 5 -2.207 3.680 5.455
34 3HG1 DIV 5 3HG1 DIV 5 -3.507 4.538 4.610
35 1HB2 DIV 5 1HB2 DIV 5 -3.316 6.302 1.075
36 2HB2 DIV 5 2HB2 DIV 5 -3.948 5.294 2.371
37 3HB2 DIV 5 3HB2 DIV 5 -3.174 6.841 2.759
38 H DIV 5 H DIV 5 -0.990 7.198 1.514
39 H ILE 6 H ILE 6 -1.974 5.154 -0.388
40 HA ILE 6 HA ILE 6 -2.194 2.330 -0.824
41 HB ILE 6 HB ILE 6 -1.463 4.486 -2.855
42 1HG1 ILE 6 1HG1 ILE 6 -3.648 5.026 -1.959
43 2HG1 ILE 6 2HG1 ILE 6 -3.803 4.474 -3.603
44 1HG2 ILE 6 1HG2 ILE 6 -2.386 1.601 -3.429
45 2HG2 ILE 6 2HG2 ILE 6 -2.264 2.900 -4.645
46 3HG2 ILE 6 3HG2 ILE 6 -0.813 2.323 -3.827
47 1HD1 ILE 6 1HD1 ILE 6 -4.539 2.834 -1.079
48 2HD1 ILE 6 2HD1 ILE 6 -5.660 3.599 -2.227
49 3HD1 ILE 6 3HD1 ILE 6 -4.669 2.217 -2.746
50 H THR 7 H THR 7 0.798 4.331 -1.402
51 HA THR 7 HA THR 7 2.359 2.055 -2.287
52 HB THR 7 HB THR 7 3.407 4.713 -1.183
53 HG1 THR 7 HG1 THR 7 3.502 5.168 -3.408
54 1HG2 THR 7 1HG2 THR 7 5.411 4.302 -2.645
55 2HG2 THR 7 2HG2 THR 7 5.317 3.088 -1.351
56 3HG2 THR 7 3HG2 THR 7 4.827 2.660 -3.013
57 1HB1 AIB 8 1HB1 AIB 8 1.310 2.858 3.396
58 2HB1 AIB 8 2HB1 AIB 8 2.541 2.150 4.448
59 3HB1 AIB 8 3HB1 AIB 8 2.925 3.588 3.488
60 1HB2 AIB 8 1HB2 AIB 8 4.978 2.358 2.527
61 2HB2 AIB 8 2HB2 AIB 8 4.549 0.963 3.540
62 3HB2 AIB 8 3HB2 AIB 8 4.805 0.747 1.804
63 H AIB 8 H AIB 8 2.132 3.352 0.994
64 H LEU 9 H LEU 9 0.493 1.206 1.237
65 HA LEU 9 HA LEU 9 0.063 -1.476 2.455
66 1HB LEU 9 1HB LEU 9 -1.635 0.381 0.707
67 2HB LEU 9 2HB LEU 9 -2.067 -1.282 0.872
68 HG LEU 9 HG LEU 9 -1.873 0.645 3.250
69 1HD1 LEU 9 1HD1 LEU 9 -4.354 -0.451 1.758
70 2HD1 LEU 9 2HD1 LEU 9 -4.374 0.618 3.184
71 3HD1 LEU 9 3HD1 LEU 9 -3.736 1.213 1.639
72 1HD2 LEU 9 1HD2 LEU 9 -1.543 -1.692 4.062
73 2HD2 LEU 9 2HD2 LEU 9 -3.171 -1.149 4.498
74 3HD2 LEU 9 3HD2 LEU 9 -2.948 -2.258 3.124
75 1HB1 AIB 10 1HB1 AIB 10 3.598 -0.917 -2.097
76 2HB1 AIB 10 2HB1 AIB 10 3.010 -1.700 -3.565
77 3HB1 AIB 10 3HB1 AIB 10 2.251 -0.199 -2.989
78 1HB2 AIB 10 1HB2 AIB 10 -0.022 -1.145 -2.992
79 2HB2 AIB 10 2HB2 AIB 10 0.683 -2.607 -3.726
80 3HB2 AIB 10 3HB2 AIB 10 -0.366 -2.747 -2.303
81 H AIB 10 H AIB 10 1.528 -0.235 -0.476
82 HA HYP 11 HA HYP 11 4.003 -5.611 -0.960
83 1HB HYP 11 1HB HYP 11 5.304 -5.399 1.447
84 2HB HYP 11 2HB HYP 11 5.904 -4.621 -0.035
85 1HD HYP 11 1HD HYP 11 3.110 -2.028 0.823
86 2HD HYP 11 2HD HYP 11 4.418 -1.793 -0.333
87 HOD HYP 11 HOD HYP 11 6.603 -3.157 1.978
88 HG HYP 11 HG HYP 11 4.302 -3.365 2.251
89 H GLN 12 H GLN 12 1.701 -4.094 1.193
90 HA GLN 12 HA GLN 12 0.872 -6.620 2.435
91 1HB GLN 12 1HB GLN 12 -0.065 -3.742 2.772
92 2HB GLN 12 2HB GLN 12 -0.936 -5.046 3.514
93 1HG GLN 12 1HG GLN 12 2.079 -4.869 4.007
94 2HG GLN 12 2HG GLN 12 1.025 -3.712 4.790
95 1HE2 GLN 12 2HE2 GLN 12 2.604 -6.349 5.489
96 2HE2 GLN 12 1HE2 GLN 12 1.480 -7.095 6.738
97 1HB1 AIB 13 1HB1 AIB 13 -0.272 -5.683 -2.975
98 2HB1 AIB 13 2HB1 AIB 13 -1.892 -6.171 -3.485
99 3HB1 AIB 13 3HB1 AIB 13 -1.639 -4.652 -2.605
100 1HB2 AIB 13 1HB2 AIB 13 -3.249 -5.083 -0.833
101 2HB2 AIB 13 2HB2 AIB 13 -3.722 -6.489 -1.819
102 3HB2 AIB 13 3HB2 AIB 13 -3.417 -6.691 -0.096
103 H AIB 13 H AIB 13 0.264 -5.428 -0.643
104 HA HYP 14 HA HYP 14 -0.480 -10.433 -2.622
105 1HB HYP 14 1HB HYP 14 2.200 -11.002 -2.282
106 2HB HYP 14 2HB HYP 14 1.564 -10.014 -3.605
107 1HD HYP 14 1HD HYP 14 1.412 -7.057 -1.143
108 2HD HYP 14 2HD HYP 14 1.173 -7.225 -2.881
109 HOD HYP 14 HOD HYP 14 3.060 -8.198 -3.605
110 HG HYP 14 HG HYP 14 2.652 -9.023 -0.896
111 1HB1 AIB 15 1HB1 AIB 15 0.614 -9.389 3.106
112 2HB1 AIB 15 2HB1 AIB 15 1.032 -10.857 3.997
113 3HB1 AIB 15 3HB1 AIB 15 2.179 -10.136 2.856
114 1HB2 AIB 15 1HB2 AIB 15 2.534 -12.154 1.484
115 2HB2 AIB 15 2HB2 AIB 15 1.605 -13.007 2.739
116 3HB2 AIB 15 3HB2 AIB 15 1.184 -13.212 1.032
117 H AIB 15 H AIB 15 0.900 -9.488 0.622
118 HA PRO 16 HA PRO 16 -3.558 -12.216 3.011
119 1HB PRO 16 1HB PRO 16 -5.314 -10.200 2.355
120 2HB PRO 16 2HB PRO 16 -4.280 -10.159 3.794
121 1HG PRO 16 1HG PRO 16 -3.844 -8.749 1.133
122 2HG PRO 16 2HG PRO 16 -3.612 -8.099 2.772
123 1HD PRO 16 1HD PRO 16 -1.573 -9.138 1.129
124 2HD PRO 16 2HD PRO 16 -1.421 -9.013 2.884
125 H1 PHL 17 H1 PHL 17 -2.728 -13.282 -1.881
126 H2 PHL 17 H2 PHL 17 -2.495 -11.748 -2.729
127 HO PHL 17 HO PHL 17 -4.222 -12.372 -4.110
128 HA PHL 17 HA PHL 17 -5.135 -12.649 -1.412
129 1HB PHL 17 1HB PHL 17 -4.353 -9.876 -2.524
130 2HB PHL 17 2HB PHL 17 -5.415 -11.016 -3.304
131 HD1 PHL 17 HD1 PHL 17 -7.631 -11.718 -2.135
132 HD2 PHL 17 HD2 PHL 17 -5.291 -8.346 -0.840
133 HE1 PHL 17 HE1 PHL 17 -9.576 -10.820 -0.926
134 HE2 PHL 17 HE2 PHL 17 -7.249 -7.464 0.364
135 HZ PHL 17 HZ PHL 17 -9.392 -8.695 0.325
136 H PHL 17 H PHL 17 -3.185 -10.575 -0.242
137 H1 ACE 1 H1 ACE 1 -0.838 12.452 -0.259
138 H2 ACE 1 H2 ACE 1 -1.988 13.092 0.957
139 H3 ACE 1 H3 ACE 1 -0.444 12.348 1.472
Start of MODEL 4
1 H TRP 2 H TRP 2 -3.121 11.625 -0.287
2 HA TRP 2 HA TRP 2 -3.522 8.917 0.754
3 1HB TRP 2 1HB TRP 2 -5.301 8.611 -0.655
4 2HB TRP 2 2HB TRP 2 -5.376 10.301 -0.276
5 HD1 TRP 2 HD1 TRP 2 -4.868 12.078 -2.409
6 HE1 TRP 2 HE1 TRP 2 -4.993 11.810 -5.037
7 HE3 TRP 2 HE3 TRP 2 -4.869 6.975 -2.470
8 HZ2 TRP 2 HZ2 TRP 2 -4.982 9.525 -6.775
9 HZ3 TRP 2 HZ3 TRP 2 -4.996 5.804 -4.635
10 HH2 TRP 2 HH2 TRP 2 -5.008 7.050 -6.756
11 H ILE 3 H ILE 3 -1.378 10.134 -1.719
12 HA ILE 3 HA ILE 3 -0.810 7.549 -2.971
13 HB ILE 3 HB ILE 3 1.179 8.482 -4.006
14 1HG1 ILE 3 1HG1 ILE 3 1.335 11.159 -3.865
15 2HG1 ILE 3 2HG1 ILE 3 0.685 10.952 -2.254
16 1HG2 ILE 3 1HG2 ILE 3 -1.284 10.280 -4.356
17 2HG2 ILE 3 2HG2 ILE 3 0.023 10.014 -5.533
18 3HG2 ILE 3 3HG2 ILE 3 -1.048 8.674 -5.080
19 1HD1 ILE 3 1HD1 ILE 3 3.322 9.763 -3.373
20 2HD1 ILE 3 2HD1 ILE 3 3.153 11.087 -2.194
21 3HD1 ILE 3 3HD1 ILE 3 2.731 9.433 -1.730
22 H GLN 4 H GLN 4 0.502 8.990 -0.089
23 HA GLN 4 HA GLN 4 2.475 6.816 0.416
24 1HB GLN 4 1HB GLN 4 1.331 9.031 2.204
25 2HB GLN 4 2HB GLN 4 2.391 7.806 2.847
26 1HG GLN 4 1HG GLN 4 4.288 8.670 2.004
27 2HG GLN 4 2HG GLN 4 3.645 8.880 0.400
28 1HE2 GLN 4 2HE2 GLN 4 4.602 10.559 3.172
29 2HE2 GLN 4 1HE2 GLN 4 3.969 12.207 2.667
30 1HB1 DIV 5 1HB1 DIV 5 -0.258 4.620 3.842
31 2HB1 DIV 5 2HB1 DIV 5 -1.190 6.016 4.312
32 1HG1 DIV 5 1HG1 DIV 5 -2.412 3.201 4.009
33 2HG1 DIV 5 2HG1 DIV 5 -1.879 3.947 5.529
34 3HG1 DIV 5 3HG1 DIV 5 -3.241 4.644 4.629
35 1HB2 DIV 5 1HB2 DIV 5 -3.212 6.355 1.105
36 2HB2 DIV 5 2HB2 DIV 5 -3.754 5.367 2.447
37 3HB2 DIV 5 3HB2 DIV 5 -3.032 6.959 2.759
38 H DIV 5 H DIV 5 -0.884 7.362 1.472
39 H ILE 6 H ILE 6 -1.889 5.250 -0.366
40 HA ILE 6 HA ILE 6 -2.164 2.422 -0.648
41 HB ILE 6 HB ILE 6 -2.057 2.614 -3.084
42 1HG1 ILE 6 1HG1 ILE 6 -1.900 5.658 -2.793
43 2HG1 ILE 6 2HG1 ILE 6 -0.490 4.688 -3.172
44 1HG2 ILE 6 1HG2 ILE 6 -4.033 4.577 -1.775
45 2HG2 ILE 6 2HG2 ILE 6 -4.246 3.715 -3.317
46 3HG2 ILE 6 3HG2 ILE 6 -4.193 2.805 -1.801
47 1HD1 ILE 6 1HD1 ILE 6 -3.002 4.835 -4.943
48 2HD1 ILE 6 2HD1 ILE 6 -1.439 5.619 -5.247
49 3HD1 ILE 6 3HD1 ILE 6 -1.570 3.839 -5.279
50 H THR 7 H THR 7 0.824 4.333 -1.275
51 HA THR 7 HA THR 7 2.389 2.082 -2.266
52 HB THR 7 HB THR 7 3.420 4.598 -0.841
53 HG1 THR 7 HG1 THR 7 3.705 5.264 -2.987
54 1HG2 THR 7 1HG2 THR 7 5.526 4.227 -2.188
55 2HG2 THR 7 2HG2 THR 7 5.282 2.909 -1.022
56 3HG2 THR 7 3HG2 THR 7 4.899 2.655 -2.743
57 1HB1 AIB 8 1HB1 AIB 8 0.926 2.664 3.278
58 2HB1 AIB 8 2HB1 AIB 8 1.964 1.819 4.441
59 3HB1 AIB 8 3HB1 AIB 8 2.571 3.253 3.590
60 1HB2 AIB 8 1HB2 AIB 8 4.626 1.959 2.730
61 2HB2 AIB 8 2HB2 AIB 8 4.049 0.562 3.664
62 3HB2 AIB 8 3HB2 AIB 8 4.425 0.378 1.945
63 H AIB 8 H AIB 8 1.876 3.110 1.044
64 H LEU 9 H LEU 9 0.192 1.091 1.102
65 HA LEU 9 HA LEU 9 -0.437 -1.644 2.097
66 1HB LEU 9 1HB LEU 9 -1.901 0.518 0.571
67 2HB LEU 9 2HB LEU 9 -2.352 -1.111 0.234
68 HG LEU 9 HG LEU 9 -3.695 0.128 1.921
69 1HD1 LEU 9 1HD1 LEU 9 -2.633 -2.626 2.841
70 2HD1 LEU 9 2HD1 LEU 9 -4.197 -1.902 3.290
71 3HD1 LEU 9 3HD1 LEU 9 -3.884 -2.359 1.607
72 1HD2 LEU 9 1HD2 LEU 9 -1.892 1.115 3.362
73 2HD2 LEU 9 2HD2 LEU 9 -3.109 0.222 4.293
74 3HD2 LEU 9 3HD2 LEU 9 -1.509 -0.498 3.989
75 1HB1 AIB 10 1HB1 AIB 10 3.427 -0.961 -2.193
76 2HB1 AIB 10 2HB1 AIB 10 2.957 -1.773 -3.682
77 3HB1 AIB 10 3HB1 AIB 10 2.105 -0.303 -3.158
78 1HB2 AIB 10 1HB2 AIB 10 -0.112 -1.426 -3.347
79 2HB2 AIB 10 2HB2 AIB 10 0.743 -2.861 -3.964
80 3HB2 AIB 10 3HB2 AIB 10 -0.406 -3.023 -2.623
81 H AIB 10 H AIB 10 1.341 -0.397 -0.636
82 HA HYP 11 HA HYP 11 3.997 -5.541 -0.807
83 1HB HYP 11 1HB HYP 11 5.010 -5.161 1.728
84 2HB HYP 11 2HB HYP 11 5.755 -4.459 0.278
85 1HD HYP 11 1HD HYP 11 2.882 -1.826 0.615
86 2HD HYP 11 2HD HYP 11 4.297 -1.812 -0.442
87 HOD HYP 11 HOD HYP 11 6.119 -2.811 2.347
88 HG HYP 11 HG HYP 11 3.841 -3.133 2.265
89 H GLN 12 H GLN 12 1.367 -4.133 1.042
90 HA GLN 12 HA GLN 12 0.641 -6.801 2.088
91 1HB GLN 12 1HB GLN 12 -0.548 -4.122 2.951
92 2HB GLN 12 2HB GLN 12 -1.040 -5.706 3.522
93 1HG GLN 12 1HG GLN 12 1.599 -5.940 4.180
94 2HG GLN 12 2HG GLN 12 1.543 -4.193 4.147
95 1HE2 GLN 12 2HE2 GLN 12 0.260 -3.136 5.811
96 2HE2 GLN 12 1HE2 GLN 12 -0.381 -4.080 7.247
97 1HB1 AIB 13 1HB1 AIB 13 -0.088 -5.967 -3.171
98 2HB1 AIB 13 2HB1 AIB 13 -1.606 -6.618 -3.802
99 3HB1 AIB 13 3HB1 AIB 13 -1.552 -5.015 -3.039
100 1HB2 AIB 13 1HB2 AIB 13 -3.285 -5.386 -1.380
101 2HB2 AIB 13 2HB2 AIB 13 -3.599 -6.880 -2.297
102 3HB2 AIB 13 3HB2 AIB 13 -3.457 -6.942 -0.548
103 H AIB 13 H AIB 13 0.254 -5.603 -0.811
104 HA HYP 14 HA HYP 14 -0.129 -10.699 -2.524
105 1HB HYP 14 1HB HYP 14 2.545 -11.093 -1.914
106 2HB HYP 14 2HB HYP 14 1.974 -10.267 -3.373
107 1HD HYP 14 1HD HYP 14 1.484 -7.114 -1.199
108 2HD HYP 14 2HD HYP 14 1.374 -7.452 -2.925
109 HOD HYP 14 HOD HYP 14 3.343 -8.303 -3.413
110 HG HYP 14 HG HYP 14 2.800 -8.982 -0.695
111 1HB1 AIB 15 1HB1 AIB 15 0.722 -9.135 3.096
112 2HB1 AIB 15 2HB1 AIB 15 1.134 -10.488 4.161
113 3HB1 AIB 15 3HB1 AIB 15 2.308 -9.873 2.983
114 1HB2 AIB 15 1HB2 AIB 15 2.751 -11.994 1.852
115 2HB2 AIB 15 2HB2 AIB 15 1.781 -12.778 3.116
116 3HB2 AIB 15 3HB2 AIB 15 1.445 -13.114 1.410
117 H AIB 15 H AIB 15 1.257 -9.558 0.621
118 HA PRO 16 HA PRO 16 -3.359 -12.094 3.238
119 1HB PRO 16 1HB PRO 16 -5.171 -10.205 2.373
120 2HB PRO 16 2HB PRO 16 -4.181 -10.020 3.833
121 1HG PRO 16 1HG PRO 16 -3.701 -8.815 1.076
122 2HG PRO 16 2HG PRO 16 -3.565 -8.022 2.662
123 1HD PRO 16 1HD PRO 16 -1.396 -9.068 1.212
124 2HD PRO 16 2HD PRO 16 -1.363 -8.861 2.971
125 H1 PHL 17 H1 PHL 17 -2.379 -13.474 -1.609
126 H2 PHL 17 H2 PHL 17 -2.239 -11.973 -2.536
127 HO PHL 17 HO PHL 17 -3.894 -12.762 -3.895
128 HA PHL 17 HA PHL 17 -4.817 -12.963 -1.160
129 1HB PHL 17 1HB PHL 17 -4.192 -10.243 -2.476
130 2HB PHL 17 2HB PHL 17 -5.238 -11.476 -3.121
131 HD1 PHL 17 HD1 PHL 17 -7.357 -12.190 -1.708
132 HD2 PHL 17 HD2 PHL 17 -5.146 -8.571 -0.985
133 HE1 PHL 17 HE1 PHL 17 -9.278 -11.248 -0.492
134 HE2 PHL 17 HE2 PHL 17 -7.077 -7.644 0.228
135 HZ PHL 17 HZ PHL 17 -9.144 -8.977 0.476
136 H PHL 17 H PHL 17 -2.984 -10.718 -0.123
137 H1 ACE 1 H1 ACE 1 -0.667 12.470 -0.018
138 H2 ACE 1 H2 ACE 1 -1.781 13.091 1.241
139 H3 ACE 1 H3 ACE 1 -0.239 12.305 1.700
Start of MODEL 5
1 H TRP 2 H TRP 2 -2.800 11.461 -0.176
2 HA TRP 2 HA TRP 2 -4.007 8.826 0.324
3 1HB TRP 2 1HB TRP 2 -4.157 10.477 -2.254
4 2HB TRP 2 2HB TRP 2 -5.153 9.093 -1.869
5 HD1 TRP 2 HD1 TRP 2 -6.120 9.901 1.168
6 HE1 TRP 2 HE1 TRP 2 -7.823 11.871 1.587
7 HE3 TRP 2 HE3 TRP 2 -5.374 12.274 -3.300
8 HZ2 TRP 2 HZ2 TRP 2 -8.597 14.150 0.040
9 HZ3 TRP 2 HZ3 TRP 2 -6.637 14.343 -3.774
10 HH2 TRP 2 HH2 TRP 2 -8.214 15.271 -2.129
11 H ILE 3 H ILE 3 -1.491 9.993 -1.926
12 HA ILE 3 HA ILE 3 -0.921 7.343 -3.067
13 HB ILE 3 HB ILE 3 0.835 9.821 -3.147
14 1HG1 ILE 3 1HG1 ILE 3 -1.220 10.318 -4.339
15 2HG1 ILE 3 2HG1 ILE 3 0.087 10.152 -5.480
16 1HG2 ILE 3 1HG2 ILE 3 1.170 7.227 -4.777
17 2HG2 ILE 3 2HG2 ILE 3 2.033 8.753 -5.094
18 3HG2 ILE 3 3HG2 ILE 3 2.296 7.890 -3.573
19 1HD1 ILE 3 1HD1 ILE 3 -2.107 8.022 -4.967
20 2HD1 ILE 3 2HD1 ILE 3 -1.983 9.101 -6.372
21 3HD1 ILE 3 3HD1 ILE 3 -0.767 7.828 -6.126
22 H GLN 4 H GLN 4 0.405 9.027 -0.305
23 HA GLN 4 HA GLN 4 2.422 6.960 0.378
24 1HB GLN 4 1HB GLN 4 1.177 9.243 2.004
25 2HB GLN 4 2HB GLN 4 2.211 8.063 2.783
26 1HG GLN 4 1HG GLN 4 4.113 8.540 1.352
27 2HG GLN 4 2HG GLN 4 3.171 9.567 0.288
28 1HE2 GLN 4 2HE2 GLN 4 3.290 11.742 0.739
29 2HE2 GLN 4 1HE2 GLN 4 3.886 12.446 2.323
30 1HB1 DIV 5 1HB1 DIV 5 -0.180 4.721 3.859
31 2HB1 DIV 5 2HB1 DIV 5 -1.160 6.092 4.314
32 1HG1 DIV 5 1HG1 DIV 5 -2.244 3.206 4.105
33 2HG1 DIV 5 2HG1 DIV 5 -1.774 4.056 5.593
34 3HG1 DIV 5 3HG1 DIV 5 -3.161 4.633 4.650
35 1HB2 DIV 5 1HB2 DIV 5 -3.206 6.348 1.131
36 2HB2 DIV 5 2HB2 DIV 5 -3.729 5.327 2.466
37 3HB2 DIV 5 3HB2 DIV 5 -3.051 6.930 2.797
38 H DIV 5 H DIV 5 -0.932 7.411 1.508
39 H ILE 6 H ILE 6 -1.962 5.180 -0.340
40 HA ILE 6 HA ILE 6 -2.129 2.332 -0.484
41 HB ILE 6 HB ILE 6 -2.294 2.392 -2.887
42 1HG1 ILE 6 1HG1 ILE 6 -2.650 4.923 -3.847
43 2HG1 ILE 6 2HG1 ILE 6 -1.425 5.295 -2.659
44 1HG2 ILE 6 1HG2 ILE 6 -4.080 4.499 -1.561
45 2HG2 ILE 6 2HG2 ILE 6 -4.441 3.544 -3.018
46 3HG2 ILE 6 3HG2 ILE 6 -4.287 2.734 -1.450
47 1HD1 ILE 6 1HD1 ILE 6 -1.181 3.299 -5.012
48 2HD1 ILE 6 2HD1 ILE 6 -0.413 4.902 -4.892
49 3HD1 ILE 6 3HD1 ILE 6 0.125 3.582 -3.837
50 H THR 7 H THR 7 0.758 4.304 -1.222
51 HA THR 7 HA THR 7 2.366 2.089 -2.261
52 HB THR 7 HB THR 7 3.297 4.709 -0.953
53 HG1 THR 7 HG1 THR 7 3.460 5.328 -3.109
54 1HG2 THR 7 1HG2 THR 7 5.390 4.426 -2.315
55 2HG2 THR 7 2HG2 THR 7 5.255 3.131 -1.109
56 3HG2 THR 7 3HG2 THR 7 4.865 2.800 -2.816
57 1HB1 AIB 8 1HB1 AIB 8 1.096 2.841 3.296
58 2HB1 AIB 8 2HB1 AIB 8 2.185 2.066 4.458
59 3HB1 AIB 8 3HB1 AIB 8 2.728 3.492 3.551
60 1HB2 AIB 8 1HB2 AIB 8 4.800 2.250 2.662
61 2HB2 AIB 8 2HB2 AIB 8 4.305 0.875 3.669
62 3HB2 AIB 8 3HB2 AIB 8 4.636 0.632 1.947
63 H AIB 8 H AIB 8 1.982 3.243 1.020
64 H LEU 9 H LEU 9 0.413 1.105 1.113
65 HA LEU 9 HA LEU 9 -0.097 -1.553 2.367
66 1HB LEU 9 1HB LEU 9 -1.731 0.356 0.616
67 2HB LEU 9 2HB LEU 9 -2.214 -1.302 0.749
68 HG LEU 9 HG LEU 9 -1.907 0.514 3.208
69 1HD1 LEU 9 1HD1 LEU 9 -4.470 -0.205 1.636
70 2HD1 LEU 9 2HD1 LEU 9 -4.397 0.723 3.153
71 3HD1 LEU 9 3HD1 LEU 9 -3.684 1.391 1.674
72 1HD2 LEU 9 1HD2 LEU 9 -1.799 -1.921 3.817
73 2HD2 LEU 9 2HD2 LEU 9 -3.342 -1.234 4.348
74 3HD2 LEU 9 3HD2 LEU 9 -3.280 -2.249 2.886
75 1HB1 AIB 10 1HB1 AIB 10 3.577 -1.007 -2.040
76 2HB1 AIB 10 2HB1 AIB 10 3.064 -1.804 -3.522
77 3HB1 AIB 10 3HB1 AIB 10 2.257 -0.314 -2.984
78 1HB2 AIB 10 1HB2 AIB 10 0.000 -1.338 -3.096
79 2HB2 AIB 10 2HB2 AIB 10 0.771 -2.804 -3.759
80 3HB2 AIB 10 3HB2 AIB 10 -0.333 -2.931 -2.378
81 H AIB 10 H AIB 10 1.484 -0.361 -0.481
82 HA HYP 11 HA HYP 11 4.065 -5.640 -0.810
83 1HB HYP 11 1HB HYP 11 5.186 -5.372 1.685
84 2HB HYP 11 2HB HYP 11 5.871 -4.613 0.236
85 1HD HYP 11 1HD HYP 11 3.019 -2.008 0.832
86 2HD HYP 11 2HD HYP 11 4.389 -1.877 -0.276
87 HOD HYP 11 HOD HYP 11 6.233 -2.902 2.502
88 HG HYP 11 HG HYP 11 4.076 -3.341 2.367
89 H GLN 12 H GLN 12 1.556 -4.223 1.178
90 HA GLN 12 HA GLN 12 0.742 -6.862 2.229
91 1HB GLN 12 1HB GLN 12 -0.116 -4.026 3.010
92 2HB GLN 12 2HB GLN 12 -0.888 -5.464 3.645
93 1HG GLN 12 1HG GLN 12 1.252 -6.284 4.623
94 2HG GLN 12 2HG GLN 12 2.109 -4.869 4.013
95 1HE2 GLN 12 2HE2 GLN 12 2.212 -5.461 6.634
96 2HE2 GLN 12 1HE2 GLN 12 1.282 -4.207 7.594
97 1HB1 AIB 13 1HB1 AIB 13 -0.244 -5.754 -3.029
98 2HB1 AIB 13 2HB1 AIB 13 -1.822 -6.312 -3.601
99 3HB1 AIB 13 3HB1 AIB 13 -1.664 -4.766 -2.745
100 1HB2 AIB 13 1HB2 AIB 13 -3.323 -5.209 -1.007
101 2HB2 AIB 13 2HB2 AIB 13 -3.715 -6.616 -2.022
102 3HB2 AIB 13 3HB2 AIB 13 -3.493 -6.826 -0.291
103 H AIB 13 H AIB 13 0.238 -5.528 -0.678
104 HA HYP 14 HA HYP 14 -0.361 -10.497 -2.684
105 1HB HYP 14 1HB HYP 14 2.323 -10.998 -2.207
106 2HB HYP 14 2HB HYP 14 1.722 -10.061 -3.583
107 1HD HYP 14 1HD HYP 14 1.399 -7.060 -1.174
108 2HD HYP 14 2HD HYP 14 1.216 -7.269 -2.922
109 HOD HYP 14 HOD HYP 14 3.137 -8.103 -3.538
110 HG HYP 14 HG HYP 14 2.683 -8.984 -0.863
111 1HB1 AIB 15 1HB1 AIB 15 0.720 -9.304 2.967
112 2HB1 AIB 15 2HB1 AIB 15 1.144 -10.723 3.941
113 3HB1 AIB 15 3HB1 AIB 15 2.284 -10.065 2.751
114 1HB2 AIB 15 1HB2 AIB 15 2.636 -12.139 1.500
115 2HB2 AIB 15 2HB2 AIB 15 1.692 -12.959 2.764
116 3HB2 AIB 15 3HB2 AIB 15 1.289 -13.207 1.057
117 H AIB 15 H AIB 15 1.167 -9.600 0.468
118 HA PRO 16 HA PRO 16 -3.424 -12.157 3.098
119 1HB PRO 16 1HB PRO 16 -5.208 -10.173 2.442
120 2HB PRO 16 2HB PRO 16 -4.128 -10.085 3.844
121 1HG PRO 16 1HG PRO 16 -3.751 -8.784 1.105
122 2HG PRO 16 2HG PRO 16 -3.540 -8.048 2.711
123 1HD PRO 16 1HD PRO 16 -1.438 -9.073 1.169
124 2HD PRO 16 2HD PRO 16 -1.359 -8.978 2.935
125 H1 PHL 17 H1 PHL 17 -2.435 -12.600 -2.263
126 H2 PHL 17 H2 PHL 17 -2.893 -10.987 -2.820
127 HO PHL 17 HO PHL 17 -4.516 -11.977 -4.077
128 HA PHL 17 HA PHL 17 -4.761 -12.959 -1.363
129 1HB PHL 17 1HB PHL 17 -5.188 -9.943 -1.938
130 2HB PHL 17 2HB PHL 17 -5.897 -11.228 -2.876
131 HD1 PHL 17 HD1 PHL 17 -7.487 -12.944 -1.688
132 HD2 PHL 17 HD2 PHL 17 -6.344 -9.196 0.093
133 HE1 PHL 17 HE1 PHL 17 -9.398 -13.082 -0.145
134 HE2 PHL 17 HE2 PHL 17 -8.262 -9.353 1.626
135 HZ PHL 17 HZ PHL 17 -9.792 -11.290 1.512
136 H PHL 17 H PHL 17 -3.157 -10.607 -0.201
137 H1 ACE 1 H1 ACE 1 -1.529 12.441 1.642
138 H2 ACE 1 H2 ACE 1 -0.429 11.290 2.460
139 H3 ACE 1 H3 ACE 1 -0.280 11.559 0.710
Start of MODEL 6
1 H TRP 2 H TRP 2 -3.304 11.632 -0.273
2 HA TRP 2 HA TRP 2 -3.567 8.901 0.720
3 1HB TRP 2 1HB TRP 2 -5.338 8.555 -0.719
4 2HB TRP 2 2HB TRP 2 -5.468 10.224 -0.268
5 HD1 TRP 2 HD1 TRP 2 -5.167 7.918 -3.272
6 HE1 TRP 2 HE1 TRP 2 -5.197 9.186 -5.583
7 HE3 TRP 2 HE3 TRP 2 -4.652 12.622 -1.349
8 HZ2 TRP 2 HZ2 TRP 2 -4.992 11.946 -6.299
9 HZ3 TRP 2 HZ3 TRP 2 -4.547 14.539 -2.904
10 HH2 TRP 2 HH2 TRP 2 -4.714 14.209 -5.339
11 H ILE 3 H ILE 3 -1.330 10.154 -1.578
12 HA ILE 3 HA ILE 3 -0.799 7.645 -2.966
13 HB ILE 3 HB ILE 3 -0.258 10.000 -3.800
14 1HG1 ILE 3 1HG1 ILE 3 0.190 8.122 -5.178
15 2HG1 ILE 3 2HG1 ILE 3 1.407 9.360 -5.352
16 1HG2 ILE 3 1HG2 ILE 3 2.419 9.699 -2.338
17 2HG2 ILE 3 2HG2 ILE 3 1.945 10.976 -3.482
18 3HG2 ILE 3 3HG2 ILE 3 1.125 10.846 -1.913
19 1HD1 ILE 3 1HD1 ILE 3 1.769 6.632 -3.974
20 2HD1 ILE 3 2HD1 ILE 3 2.511 7.202 -5.474
21 3HD1 ILE 3 3HD1 ILE 3 3.012 7.914 -3.923
22 H GLN 4 H GLN 4 0.613 9.029 -0.082
23 HA GLN 4 HA GLN 4 2.495 6.805 0.475
24 1HB GLN 4 1HB GLN 4 1.361 9.037 2.252
25 2HB GLN 4 2HB GLN 4 2.295 7.728 2.957
26 1HG GLN 4 1HG GLN 4 4.232 8.175 1.514
27 2HG GLN 4 2HG GLN 4 3.361 9.447 0.659
28 1HE2 GLN 4 2HE2 GLN 4 5.423 10.524 1.392
29 2HE2 GLN 4 1HE2 GLN 4 5.384 11.384 3.014
30 1HB1 DIV 5 1HB1 DIV 5 -0.278 4.604 3.808
31 2HB1 DIV 5 2HB1 DIV 5 -1.169 6.026 4.284
32 1HG1 DIV 5 1HG1 DIV 5 -2.448 3.230 4.035
33 2HG1 DIV 5 2HG1 DIV 5 -1.879 4.001 5.531
34 3HG1 DIV 5 3HG1 DIV 5 -3.243 4.705 4.638
35 1HB2 DIV 5 1HB2 DIV 5 -3.210 6.407 1.089
36 2HB2 DIV 5 2HB2 DIV 5 -3.776 5.402 2.417
37 3HB2 DIV 5 3HB2 DIV 5 -3.035 6.978 2.757
38 H DIV 5 H DIV 5 -0.870 7.383 1.502
39 H ILE 6 H ILE 6 -1.878 5.247 -0.418
40 HA ILE 6 HA ILE 6 -2.167 2.412 -0.642
41 HB ILE 6 HB ILE 6 -3.227 3.970 -2.197
42 1HG1 ILE 6 1HG1 ILE 6 -1.634 1.760 -3.623
43 2HG1 ILE 6 2HG1 ILE 6 -3.014 1.473 -2.578
44 1HG2 ILE 6 1HG2 ILE 6 -0.529 4.184 -3.690
45 2HG2 ILE 6 2HG2 ILE 6 -2.093 4.870 -4.199
46 3HG2 ILE 6 3HG2 ILE 6 -1.300 5.484 -2.746
47 1HD1 ILE 6 1HD1 ILE 6 -3.123 3.051 -5.224
48 2HD1 ILE 6 2HD1 ILE 6 -3.754 1.422 -4.920
49 3HD1 ILE 6 3HD1 ILE 6 -4.504 2.823 -4.118
50 H THR 7 H THR 7 0.810 4.325 -1.236
51 HA THR 7 HA THR 7 2.416 2.117 -2.248
52 HB THR 7 HB THR 7 3.346 4.640 -0.761
53 HG1 THR 7 HG1 THR 7 3.637 5.367 -2.861
54 1HG2 THR 7 1HG2 THR 7 5.505 4.373 -2.001
55 2HG2 THR 7 2HG2 THR 7 5.262 3.005 -0.898
56 3HG2 THR 7 3HG2 THR 7 4.970 2.802 -2.647
57 1HB1 AIB 8 1HB1 AIB 8 0.887 2.585 3.295
58 2HB1 AIB 8 2HB1 AIB 8 1.918 1.727 4.452
59 3HB1 AIB 8 3HB1 AIB 8 2.521 3.185 3.643
60 1HB2 AIB 8 1HB2 AIB 8 4.609 1.921 2.759
61 2HB2 AIB 8 2HB2 AIB 8 4.033 0.516 3.678
62 3HB2 AIB 8 3HB2 AIB 8 4.416 0.348 1.960
63 H AIB 8 H AIB 8 1.865 3.083 1.066
64 H LEU 9 H LEU 9 0.174 1.064 1.100
65 HA LEU 9 HA LEU 9 -0.414 -1.693 2.036
66 1HB LEU 9 1HB LEU 9 -1.907 0.443 0.499
67 2HB LEU 9 2HB LEU 9 -2.332 -1.201 0.179
68 HG LEU 9 HG LEU 9 -3.704 0.008 1.862
69 1HD1 LEU 9 1HD1 LEU 9 -2.531 -2.682 2.840
70 2HD1 LEU 9 2HD1 LEU 9 -4.132 -2.025 3.254
71 3HD1 LEU 9 3HD1 LEU 9 -3.780 -2.505 1.587
72 1HD2 LEU 9 1HD2 LEU 9 -1.951 1.091 3.283
73 2HD2 LEU 9 2HD2 LEU 9 -3.104 0.141 4.239
74 3HD2 LEU 9 3HD2 LEU 9 -1.474 -0.500 3.914
75 1HB1 AIB 10 1HB1 AIB 10 3.445 -0.896 -2.223
76 2HB1 AIB 10 2HB1 AIB 10 3.025 -1.725 -3.718
77 3HB1 AIB 10 3HB1 AIB 10 2.125 -0.283 -3.211
78 1HB2 AIB 10 1HB2 AIB 10 -0.052 -1.412 -3.417
79 2HB2 AIB 10 2HB2 AIB 10 0.799 -2.854 -4.030
80 3HB2 AIB 10 3HB2 AIB 10 -0.356 -3.005 -2.699
81 H AIB 10 H AIB 10 1.365 -0.394 -0.694
82 HA HYP 11 HA HYP 11 4.046 -5.542 -0.880
83 1HB HYP 11 1HB HYP 11 5.127 -5.137 1.622
84 2HB HYP 11 2HB HYP 11 5.819 -4.435 0.149
85 1HD HYP 11 1HD HYP 11 2.945 -1.821 0.540
86 2HD HYP 11 2HD HYP 11 4.343 -1.787 -0.532
87 HOD HYP 11 HOD HYP 11 6.248 -2.806 2.170
88 HG HYP 11 HG HYP 11 3.948 -3.106 2.180
89 H GLN 12 H GLN 12 1.487 -4.066 1.013
90 HA GLN 12 HA GLN 12 0.748 -6.619 2.286
91 1HB GLN 12 1HB GLN 12 -0.403 -3.809 2.604
92 2HB GLN 12 2HB GLN 12 -1.053 -5.210 3.424
93 1HG GLN 12 1HG GLN 12 1.062 -5.582 4.662
94 2HG GLN 12 2HG GLN 12 1.831 -4.231 3.837
95 1HE2 GLN 12 2HE2 GLN 12 2.039 -3.966 6.317
96 2HE2 GLN 12 1HE2 GLN 12 0.830 -2.799 7.058
97 1HB1 AIB 13 1HB1 AIB 13 -0.132 -5.984 -3.153
98 2HB1 AIB 13 2HB1 AIB 13 -1.695 -6.592 -3.713
99 3HB1 AIB 13 3HB1 AIB 13 -1.570 -4.998 -2.953
100 1HB2 AIB 13 1HB2 AIB 13 -3.276 -5.380 -1.245
101 2HB2 AIB 13 2HB2 AIB 13 -3.609 -6.876 -2.150
102 3HB2 AIB 13 3HB2 AIB 13 -3.415 -6.938 -0.408
103 H AIB 13 H AIB 13 0.273 -5.563 -0.801
104 HA HYP 14 HA HYP 14 -0.140 -10.679 -2.503
105 1HB HYP 14 1HB HYP 14 2.529 -11.100 -1.898
106 2HB HYP 14 2HB HYP 14 1.960 -10.240 -3.342
107 1HD HYP 14 1HD HYP 14 1.488 -7.124 -1.136
108 2HD HYP 14 2HD HYP 14 1.372 -7.447 -2.867
109 HOD HYP 14 HOD HYP 14 3.358 -8.322 -3.360
110 HG HYP 14 HG HYP 14 2.795 -9.000 -0.649
111 1HB1 AIB 15 1HB1 AIB 15 0.666 -9.145 3.094
112 2HB1 AIB 15 2HB1 AIB 15 1.047 -10.492 4.184
113 3HB1 AIB 15 3HB1 AIB 15 2.242 -9.899 3.012
114 1HB2 AIB 15 1HB2 AIB 15 2.691 -12.020 1.899
115 2HB2 AIB 15 2HB2 AIB 15 1.716 -12.773 3.177
116 3HB2 AIB 15 3HB2 AIB 15 1.393 -13.152 1.477
117 H AIB 15 H AIB 15 1.186 -9.567 0.671
118 HA PRO 16 HA PRO 16 -3.447 -12.108 3.228
119 1HB PRO 16 1HB PRO 16 -5.230 -10.177 2.442
120 2HB PRO 16 2HB PRO 16 -4.203 -10.026 3.878
121 1HG PRO 16 1HG PRO 16 -3.758 -8.787 1.126
122 2HG PRO 16 2HG PRO 16 -3.587 -8.020 2.718
123 1HD PRO 16 1HD PRO 16 -1.463 -9.099 1.216
124 2HD PRO 16 2HD PRO 16 -1.400 -8.885 2.978
125 H1 PHL 17 H1 PHL 17 -2.363 -13.313 -1.642
126 H2 PHL 17 H2 PHL 17 -2.274 -11.781 -2.524
127 HO PHL 17 HO PHL 17 -3.850 -12.596 -3.943
128 HA PHL 17 HA PHL 17 -4.828 -12.916 -1.218
129 1HB PHL 17 1HB PHL 17 -4.310 -10.086 -2.349
130 2HB PHL 17 2HB PHL 17 -5.189 -11.338 -3.179
131 HD1 PHL 17 HD1 PHL 17 -5.502 -8.687 -0.706
132 HD2 PHL 17 HD2 PHL 17 -7.368 -12.287 -2.148
133 HE1 PHL 17 HE1 PHL 17 -7.621 -8.027 0.356
134 HE2 PHL 17 HE2 PHL 17 -9.478 -11.610 -1.077
135 HZ PHL 17 HZ PHL 17 -9.609 -9.485 0.177
136 H PHL 17 H PHL 17 -3.027 -10.681 -0.095
137 H1 ACE 1 H1 ACE 1 -0.918 12.631 -0.047
138 H2 ACE 1 H2 ACE 1 -2.031 13.134 1.263
139 H3 ACE 1 H3 ACE 1 -0.426 12.447 1.650
Start of MODEL 7
1 H TRP 2 H TRP 2 -2.643 11.474 -0.060
2 HA TRP 2 HA TRP 2 -3.798 8.812 0.447
3 1HB TRP 2 1HB TRP 2 -4.122 10.586 -2.031
4 2HB TRP 2 2HB TRP 2 -5.027 9.122 -1.721
5 HD1 TRP 2 HD1 TRP 2 -5.788 9.773 1.488
6 HE1 TRP 2 HE1 TRP 2 -7.691 11.513 2.034
7 HE3 TRP 2 HE3 TRP 2 -5.706 12.161 -3.032
8 HZ2 TRP 2 HZ2 TRP 2 -8.892 13.633 0.538
9 HZ3 TRP 2 HZ3 TRP 2 -7.290 14.015 -3.426
10 HH2 TRP 2 HH2 TRP 2 -8.852 14.744 -1.670
11 H ILE 3 H ILE 3 -1.299 10.049 -1.769
12 HA ILE 3 HA ILE 3 -0.880 7.448 -3.086
13 HB ILE 3 HB ILE 3 1.160 8.271 -4.114
14 1HG1 ILE 3 1HG1 ILE 3 1.456 10.943 -3.994
15 2HG1 ILE 3 2HG1 ILE 3 0.811 10.773 -2.376
16 1HG2 ILE 3 1HG2 ILE 3 -1.180 10.208 -4.506
17 2HG2 ILE 3 2HG2 ILE 3 0.116 9.828 -5.668
18 3HG2 ILE 3 3HG2 ILE 3 -1.045 8.573 -5.200
19 1HD1 ILE 3 1HD1 ILE 3 3.345 9.381 -3.509
20 2HD1 ILE 3 2HD1 ILE 3 3.311 10.767 -2.397
21 3HD1 ILE 3 3HD1 ILE 3 2.763 9.175 -1.845
22 H GLN 4 H GLN 4 0.437 8.744 -0.137
23 HA GLN 4 HA GLN 4 2.240 6.370 0.199
24 1HB GLN 4 1HB GLN 4 1.673 8.699 2.094
25 2HB GLN 4 2HB GLN 4 2.558 7.282 2.621
26 1HG GLN 4 1HG GLN 4 3.404 9.103 0.318
27 2HG GLN 4 2HG GLN 4 4.037 9.140 1.961
28 1HE2 GLN 4 2HE2 GLN 4 5.617 8.838 -0.344
29 2HE2 GLN 4 1HE2 GLN 4 6.447 7.208 -0.213
30 1HB1 DIV 5 1HB1 DIV 5 -0.598 4.558 3.799
31 2HB1 DIV 5 2HB1 DIV 5 -1.483 6.007 4.209
32 1HG1 DIV 5 1HG1 DIV 5 -2.826 3.237 3.897
33 2HG1 DIV 5 2HG1 DIV 5 -2.307 3.974 5.425
34 3HG1 DIV 5 3HG1 DIV 5 -3.600 4.730 4.478
35 1HB2 DIV 5 1HB2 DIV 5 -3.362 6.379 0.921
36 2HB2 DIV 5 2HB2 DIV 5 -4.001 5.435 2.258
37 3HB2 DIV 5 3HB2 DIV 5 -3.220 6.997 2.575
38 H DIV 5 H DIV 5 -1.013 7.265 1.315
39 H ILE 6 H ILE 6 -2.046 5.141 -0.504
40 HA ILE 6 HA ILE 6 -2.214 2.277 -0.638
41 HB ILE 6 HB ILE 6 -3.360 3.642 -2.270
42 1HG1 ILE 6 1HG1 ILE 6 -2.961 2.277 -4.319
43 2HG1 ILE 6 2HG1 ILE 6 -1.493 1.608 -3.627
44 1HG2 ILE 6 1HG2 ILE 6 -0.673 4.144 -3.693
45 2HG2 ILE 6 2HG2 ILE 6 -2.293 4.634 -4.247
46 3HG2 ILE 6 3HG2 ILE 6 -1.604 5.355 -2.784
47 1HD1 ILE 6 1HD1 ILE 6 -4.338 1.234 -2.450
48 2HD1 ILE 6 2HD1 ILE 6 -3.468 0.054 -3.458
49 3HD1 ILE 6 3HD1 ILE 6 -2.856 0.449 -1.840
50 H THR 7 H THR 7 0.692 4.306 -1.385
51 HA THR 7 HA THR 7 2.293 2.050 -2.287
52 HB THR 7 HB THR 7 3.260 4.743 -1.200
53 HG1 THR 7 HG1 THR 7 3.400 5.157 -3.418
54 1HG2 THR 7 1HG2 THR 7 5.337 4.360 -2.554
55 2HG2 THR 7 2HG2 THR 7 5.221 3.167 -1.246
56 3HG2 THR 7 3HG2 THR 7 4.818 2.696 -2.918
57 1HB1 AIB 8 1HB1 AIB 8 1.220 2.873 3.369
58 2HB1 AIB 8 2HB1 AIB 8 2.422 2.146 4.444
59 3HB1 AIB 8 3HB1 AIB 8 2.842 3.584 3.496
60 1HB2 AIB 8 1HB2 AIB 8 4.894 2.368 2.540
61 2HB2 AIB 8 2HB2 AIB 8 4.466 0.966 3.543
62 3HB2 AIB 8 3HB2 AIB 8 4.731 0.759 1.807
63 H AIB 8 H AIB 8 2.011 3.319 0.989
64 H LEU 9 H LEU 9 0.430 1.184 1.226
65 HA LEU 9 HA LEU 9 0.001 -1.489 2.476
66 1HB LEU 9 1HB LEU 9 -1.696 0.364 0.716
67 2HB LEU 9 2HB LEU 9 -2.143 -1.294 0.901
68 HG LEU 9 HG LEU 9 -1.876 0.623 3.280
69 1HD1 LEU 9 1HD1 LEU 9 -4.413 -0.330 1.791
70 2HD1 LEU 9 2HD1 LEU 9 -4.374 0.700 3.244
71 3HD1 LEU 9 3HD1 LEU 9 -3.720 1.305 1.711
72 1HD2 LEU 9 1HD2 LEU 9 -1.635 -1.757 4.029
73 2HD2 LEU 9 2HD2 LEU 9 -3.215 -1.129 4.525
74 3HD2 LEU 9 3HD2 LEU 9 -3.097 -2.222 3.124
75 1HB1 AIB 10 1HB1 AIB 10 3.506 -0.930 -2.105
76 2HB1 AIB 10 2HB1 AIB 10 2.925 -1.756 -3.549
77 3HB1 AIB 10 3HB1 AIB 10 2.139 -0.259 -2.997
78 1HB2 AIB 10 1HB2 AIB 10 -0.094 -1.249 -2.986
79 2HB2 AIB 10 2HB2 AIB 10 0.621 -2.731 -3.671
80 3HB2 AIB 10 3HB2 AIB 10 -0.423 -2.826 -2.239
81 H AIB 10 H AIB 10 1.497 -0.294 -0.443
82 HA HYP 11 HA HYP 11 3.956 -5.601 -0.843
83 1HB HYP 11 1HB HYP 11 5.244 -5.316 1.579
84 2HB HYP 11 2HB HYP 11 5.868 -4.681 0.046
85 1HD HYP 11 1HD HYP 11 3.138 -1.935 0.790
86 2HD HYP 11 2HD HYP 11 4.416 -1.808 -0.423
87 HOD HYP 11 HOD HYP 11 6.693 -3.099 1.796
88 HG HYP 11 HG HYP 11 4.391 -3.183 2.256
89 H GLN 12 H GLN 12 1.624 -4.077 1.328
90 HA GLN 12 HA GLN 12 0.844 -6.673 2.467
91 1HB GLN 12 1HB GLN 12 -0.273 -3.884 3.052
92 2HB GLN 12 2HB GLN 12 -0.972 -5.353 3.669
93 1HG GLN 12 1HG GLN 12 0.265 -4.939 5.498
94 2HG GLN 12 2HG GLN 12 1.433 -5.911 4.649
95 1HE2 GLN 12 2HE2 GLN 12 0.538 -2.599 5.507
96 2HE2 GLN 12 1HE2 GLN 12 2.214 -1.899 5.248
97 1HB1 AIB 13 1HB1 AIB 13 -0.265 -5.646 -2.905
98 2HB1 AIB 13 2HB1 AIB 13 -1.861 -6.188 -3.437
99 3HB1 AIB 13 3HB1 AIB 13 -1.673 -4.660 -2.563
100 1HB2 AIB 13 1HB2 AIB 13 -3.250 -5.090 -0.784
101 2HB2 AIB 13 2HB2 AIB 13 -3.713 -6.486 -1.788
102 3HB2 AIB 13 3HB2 AIB 13 -3.429 -6.705 -0.069
103 H AIB 13 H AIB 13 0.268 -5.439 -0.549
104 HA HYP 14 HA HYP 14 -0.467 -10.378 -2.729
105 1HB HYP 14 1HB HYP 14 2.217 -10.954 -2.384
106 2HB HYP 14 2HB HYP 14 1.584 -9.927 -3.678
107 1HD HYP 14 1HD HYP 14 1.414 -7.076 -1.081
108 2HD HYP 14 2HD HYP 14 1.178 -7.160 -2.832
109 HOD HYP 14 HOD HYP 14 3.051 -7.991 -3.573
110 HG HYP 14 HG HYP 14 2.677 -9.030 -0.941
111 1HB1 AIB 15 1HB1 AIB 15 0.792 -9.451 2.916
112 2HB1 AIB 15 2HB1 AIB 15 1.203 -10.907 3.835
113 3HB1 AIB 15 3HB1 AIB 15 2.334 -10.240 2.647
114 1HB2 AIB 15 1HB2 AIB 15 2.613 -12.275 1.312
115 2HB2 AIB 15 2HB2 AIB 15 1.684 -13.114 2.572
116 3HB2 AIB 15 3HB2 AIB 15 1.234 -13.301 0.868
117 H AIB 15 H AIB 15 1.178 -9.669 0.409
118 HA PRO 16 HA PRO 16 -3.406 -12.216 3.055
119 1HB PRO 16 1HB PRO 16 -5.168 -10.188 2.468
120 2HB PRO 16 2HB PRO 16 -4.070 -10.159 3.860
121 1HG PRO 16 1HG PRO 16 -3.705 -8.791 1.156
122 2HG PRO 16 2HG PRO 16 -3.452 -8.106 2.780
123 1HD PRO 16 1HD PRO 16 -1.400 -9.132 1.172
124 2HD PRO 16 2HD PRO 16 -1.286 -9.087 2.937
125 H1 PHL 17 H1 PHL 17 -3.998 -12.579 -3.499
126 H2 PHL 17 H2 PHL 17 -2.653 -12.726 -2.378
127 HO PHL 17 HO PHL 17 -2.547 -10.425 -2.357
128 HA PHL 17 HA PHL 17 -4.895 -12.946 -1.327
129 1HB PHL 17 1HB PHL 17 -5.326 -9.953 -1.946
130 2HB PHL 17 2HB PHL 17 -6.078 -11.259 -2.820
131 HD1 PHL 17 HD1 PHL 17 -6.396 -9.146 0.107
132 HD2 PHL 17 HD2 PHL 17 -7.590 -12.958 -1.498
133 HE1 PHL 17 HE1 PHL 17 -8.226 -9.275 1.745
134 HE2 PHL 17 HE2 PHL 17 -9.412 -13.069 0.151
135 HZ PHL 17 HZ PHL 17 -9.739 -11.230 1.771
136 H PHL 17 H PHL 17 -3.234 -10.591 -0.255
137 H1 ACE 1 H1 ACE 1 -1.330 12.420 1.815
138 H2 ACE 1 H2 ACE 1 -0.130 11.247 2.442
139 H3 ACE 1 H3 ACE 1 -0.157 11.642 0.709
Start of MODEL 8
1 H TRP 2 H TRP 2 -3.013 11.343 0.261
2 HA TRP 2 HA TRP 2 -3.903 8.574 0.694
3 1HB TRP 2 1HB TRP 2 -5.417 10.411 -0.130
4 2HB TRP 2 2HB TRP 2 -4.544 10.449 -1.648
5 HD1 TRP 2 HD1 TRP 2 -6.588 7.851 0.545
6 HE1 TRP 2 HE1 TRP 2 -7.959 6.193 -0.988
7 HE3 TRP 2 HE3 TRP 2 -4.832 9.614 -3.911
8 HZ2 TRP 2 HZ2 TRP 2 -8.168 5.880 -3.824
9 HZ3 TRP 2 HZ3 TRP 2 -5.670 8.608 -6.009
10 HH2 TRP 2 HH2 TRP 2 -7.313 6.775 -5.967
11 H ILE 3 H ILE 3 -1.464 10.048 -1.411
12 HA ILE 3 HA ILE 3 -1.002 7.606 -3.008
13 HB ILE 3 HB ILE 3 0.777 10.064 -2.730
14 1HG1 ILE 3 1HG1 ILE 3 -1.024 9.155 -5.081
15 2HG1 ILE 3 2HG1 ILE 3 -1.481 10.375 -3.912
16 1HG2 ILE 3 1HG2 ILE 3 1.144 7.690 -4.693
17 2HG2 ILE 3 2HG2 ILE 3 2.075 9.210 -4.720
18 3HG2 ILE 3 3HG2 ILE 3 2.232 8.117 -3.353
19 1HD1 ILE 3 1HD1 ILE 3 0.806 10.669 -5.939
20 2HD1 ILE 3 2HD1 ILE 3 -0.745 11.527 -5.900
21 3HD1 ILE 3 3HD1 ILE 3 0.471 11.838 -4.634
22 H GLN 4 H GLN 4 0.466 8.834 -0.060
23 HA GLN 4 HA GLN 4 2.204 6.425 0.224
24 1HB GLN 4 1HB GLN 4 1.724 8.708 2.186
25 2HB GLN 4 2HB GLN 4 2.612 7.271 2.650
26 1HG GLN 4 1HG GLN 4 3.387 9.065 0.290
27 2HG GLN 4 2HG GLN 4 4.079 9.153 1.908
28 1HE2 GLN 4 2HE2 GLN 4 5.194 8.431 -0.849
29 2HE2 GLN 4 1HE2 GLN 4 6.160 6.913 -0.490
30 1HB1 DIV 5 1HB1 DIV 5 -0.543 4.272 3.688
31 2HB1 DIV 5 2HB1 DIV 5 -1.453 5.668 4.205
32 1HG1 DIV 5 1HG1 DIV 5 -2.734 2.908 3.669
33 2HG1 DIV 5 2HG1 DIV 5 -2.247 3.543 5.255
34 3HG1 DIV 5 3HG1 DIV 5 -3.549 4.335 4.350
35 1HB2 DIV 5 1HB2 DIV 5 -3.348 6.187 0.915
36 2HB2 DIV 5 2HB2 DIV 5 -3.951 5.145 2.190
37 3HB2 DIV 5 3HB2 DIV 5 -3.246 6.719 2.602
38 H DIV 5 H DIV 5 -1.050 7.176 1.423
39 H ILE 6 H ILE 6 -1.946 5.181 -0.534
40 HA ILE 6 HA ILE 6 -2.131 2.413 -1.150
41 HB ILE 6 HB ILE 6 -1.220 4.732 -2.932
42 1HG1 ILE 6 1HG1 ILE 6 -3.987 3.364 -2.945
43 2HG1 ILE 6 2HG1 ILE 6 -3.658 4.734 -1.912
44 1HG2 ILE 6 1HG2 ILE 6 -2.065 1.902 -3.848
45 2HG2 ILE 6 2HG2 ILE 6 -1.816 3.293 -4.932
46 3HG2 ILE 6 3HG2 ILE 6 -0.454 2.636 -4.030
47 1HD1 ILE 6 1HD1 ILE 6 -3.458 4.848 -4.985
48 2HD1 ILE 6 2HD1 ILE 6 -4.753 5.500 -3.966
49 3HD1 ILE 6 3HD1 ILE 6 -3.123 6.201 -3.871
50 H THR 7 H THR 7 0.927 4.343 -1.568
51 HA THR 7 HA THR 7 2.457 2.023 -2.346
52 HB THR 7 HB THR 7 4.548 3.315 -1.967
53 HG1 THR 7 HG1 THR 7 2.760 5.302 -1.055
54 1HG2 THR 7 1HG2 THR 7 4.131 5.135 -3.618
55 2HG2 THR 7 2HG2 THR 7 3.406 3.601 -4.148
56 3HG2 THR 7 3HG2 THR 7 2.375 4.893 -3.481
57 1HB1 AIB 8 1HB1 AIB 8 1.208 2.790 3.274
58 2HB1 AIB 8 2HB1 AIB 8 2.378 2.059 4.381
59 3HB1 AIB 8 3HB1 AIB 8 2.828 3.499 3.448
60 1HB2 AIB 8 1HB2 AIB 8 4.912 2.233 2.532
61 2HB2 AIB 8 2HB2 AIB 8 4.423 0.856 3.540
62 3HB2 AIB 8 3HB2 AIB 8 4.723 0.620 1.814
63 H AIB 8 H AIB 8 2.114 3.278 0.926
64 H LEU 9 H LEU 9 0.453 1.167 1.119
65 HA LEU 9 HA LEU 9 -0.037 -1.526 2.293
66 1HB LEU 9 1HB LEU 9 -1.677 0.357 0.510
67 2HB LEU 9 2HB LEU 9 -2.140 -1.296 0.705
68 HG LEU 9 HG LEU 9 -1.897 0.652 3.063
69 1HD1 LEU 9 1HD1 LEU 9 -4.419 -0.352 1.576
70 2HD1 LEU 9 2HD1 LEU 9 -4.397 0.715 3.003
71 3HD1 LEU 9 3HD1 LEU 9 -3.737 1.289 1.458
72 1HD2 LEU 9 1HD2 LEU 9 -1.646 -1.711 3.859
73 2HD2 LEU 9 2HD2 LEU 9 -3.233 -1.088 4.331
74 3HD2 LEU 9 3HD2 LEU 9 -3.095 -2.203 2.951
75 1HB1 AIB 10 1HB1 AIB 10 3.594 -0.927 -2.195
76 2HB1 AIB 10 2HB1 AIB 10 3.055 -1.757 -3.653
77 3HB1 AIB 10 3HB1 AIB 10 2.245 -0.265 -3.128
78 1HB2 AIB 10 1HB2 AIB 10 0.014 -1.305 -3.192
79 2HB2 AIB 10 2HB2 AIB 10 0.766 -2.796 -3.816
80 3HB2 AIB 10 3HB2 AIB 10 -0.317 -2.866 -2.417
81 H AIB 10 H AIB 10 1.483 -0.271 -0.611
82 HA HYP 11 HA HYP 11 4.091 -5.554 -0.874
83 1HB HYP 11 1HB HYP 11 5.306 -5.225 1.560
84 2HB HYP 11 2HB HYP 11 5.932 -4.497 0.070
85 1HD HYP 11 1HD HYP 11 3.076 -1.912 0.736
86 2HD HYP 11 2HD HYP 11 4.414 -1.743 -0.401
87 HOD HYP 11 HOD HYP 11 6.523 -2.903 2.085
88 HG HYP 11 HG HYP 11 4.244 -3.181 2.257
89 H GLN 12 H GLN 12 1.660 -4.072 1.173
90 HA GLN 12 HA GLN 12 0.860 -6.673 2.310
91 1HB GLN 12 1HB GLN 12 -0.164 -3.852 2.905
92 2HB GLN 12 2HB GLN 12 -0.886 -5.303 3.578
93 1HG GLN 12 1HG GLN 12 1.276 -5.951 4.678
94 2HG GLN 12 2HG GLN 12 2.041 -4.493 4.061
95 1HE2 GLN 12 2HE2 GLN 12 0.278 -5.748 6.651
96 2HE2 GLN 12 1HE2 GLN 12 -0.167 -4.154 7.445
97 1HB1 AIB 13 1HB1 AIB 13 -0.038 -5.865 -3.031
98 2HB1 AIB 13 2HB1 AIB 13 -1.628 -6.376 -3.611
99 3HB1 AIB 13 3HB1 AIB 13 -1.423 -4.811 -2.811
100 1HB2 AIB 13 1HB2 AIB 13 -3.118 -5.109 -1.100
101 2HB2 AIB 13 2HB2 AIB 13 -3.571 -6.558 -2.028
102 3HB2 AIB 13 3HB2 AIB 13 -3.362 -6.664 -0.288
103 H AIB 13 H AIB 13 0.390 -5.536 -0.689
104 HA HYP 14 HA HYP 14 -0.339 -10.588 -2.496
105 1HB HYP 14 1HB HYP 14 2.310 -11.165 -1.940
106 2HB HYP 14 2HB HYP 14 1.779 -10.243 -3.356
107 1HD HYP 14 1HD HYP 14 1.506 -7.149 -1.081
108 2HD HYP 14 2HD HYP 14 1.365 -7.429 -2.817
109 HOD HYP 14 HOD HYP 14 3.296 -8.417 -3.323
110 HG HYP 14 HG HYP 14 2.672 -9.118 -0.625
111 1HB1 AIB 15 1HB1 AIB 15 0.436 -9.145 3.097
112 2HB1 AIB 15 2HB1 AIB 15 0.763 -10.501 4.191
113 3HB1 AIB 15 3HB1 AIB 15 2.004 -9.926 3.061
114 1HB2 AIB 15 1HB2 AIB 15 2.434 -12.078 1.968
115 2HB2 AIB 15 2HB2 AIB 15 1.389 -12.814 3.200
116 3HB2 AIB 15 3HB2 AIB 15 1.117 -13.165 1.484
117 H AIB 15 H AIB 15 1.075 -9.597 0.672
118 HA PRO 16 HA PRO 16 -3.749 -11.956 3.031
119 1HB PRO 16 1HB PRO 16 -5.433 -10.023 2.029
120 2HB PRO 16 2HB PRO 16 -4.530 -9.851 3.544
121 1HG PRO 16 1HG PRO 16 -3.827 -8.720 0.804
122 2HG PRO 16 2HG PRO 16 -3.781 -7.888 2.375
123 1HD PRO 16 1HD PRO 16 -1.539 -9.021 1.137
124 2HD PRO 16 2HD PRO 16 -1.637 -8.817 2.883
125 H1 PHL 17 H1 PHL 17 -3.445 -12.731 -3.536
126 H2 PHL 17 H2 PHL 17 -2.210 -12.508 -2.313
127 HO PHL 17 HO PHL 17 -2.652 -10.233 -2.451
128 HA PHL 17 HA PHL 17 -4.455 -13.185 -1.454
129 1HB PHL 17 1HB PHL 17 -5.503 -10.327 -1.981
130 2HB PHL 17 2HB PHL 17 -5.680 -11.567 -3.182
131 HD1 PHL 17 HD1 PHL 17 -7.039 -13.645 -2.759
132 HD2 PHL 17 HD2 PHL 17 -6.948 -10.418 0.088
133 HE1 PHL 17 HE1 PHL 17 -9.033 -14.557 -1.651
134 HE2 PHL 17 HE2 PHL 17 -8.945 -11.350 1.188
135 HZ PHL 17 HZ PHL 17 -9.991 -13.417 0.321
136 H PHL 17 H PHL 17 -3.330 -10.556 -0.365
137 H1 ACE 1 H1 ACE 1 -1.710 12.338 2.041
138 H2 ACE 1 H2 ACE 1 -0.467 11.248 2.731
139 H3 ACE 1 H3 ACE 1 -0.451 11.618 0.991
Start of MODEL 9
1 H TRP 2 H TRP 2 -3.042 11.519 -0.027
2 HA TRP 2 HA TRP 2 -3.882 8.751 0.425
3 1HB TRP 2 1HB TRP 2 -5.307 8.884 -1.430
4 2HB TRP 2 2HB TRP 2 -5.420 10.393 -0.578
5 HD1 TRP 2 HD1 TRP 2 -4.579 8.894 -3.993
6 HE1 TRP 2 HE1 TRP 2 -4.250 10.741 -5.850
7 HE3 TRP 2 HE3 TRP 2 -4.433 12.885 -0.812
8 HZ2 TRP 2 HZ2 TRP 2 -3.969 13.587 -5.748
9 HZ3 TRP 2 HZ3 TRP 2 -4.133 15.151 -1.752
10 HH2 TRP 2 HH2 TRP 2 -3.913 15.498 -4.178
11 H ILE 3 H ILE 3 -1.387 10.155 -1.617
12 HA ILE 3 HA ILE 3 -0.719 7.623 -2.972
13 HB ILE 3 HB ILE 3 1.349 8.714 -3.795
14 1HG1 ILE 3 1HG1 ILE 3 0.367 11.292 -2.413
15 2HG1 ILE 3 2HG1 ILE 3 1.708 10.315 -1.846
16 1HG2 ILE 3 1HG2 ILE 3 -1.203 10.345 -4.360
17 2HG2 ILE 3 2HG2 ILE 3 0.205 10.159 -5.430
18 3HG2 ILE 3 3HG2 ILE 3 -0.820 8.763 -5.068
19 1HD1 ILE 3 1HD1 ILE 3 1.636 11.828 -4.527
20 2HD1 ILE 3 2HD1 ILE 3 2.614 12.203 -3.091
21 3HD1 ILE 3 3HD1 ILE 3 2.952 10.727 -4.030
22 H GLN 4 H GLN 4 0.470 9.059 -0.029
23 HA GLN 4 HA GLN 4 2.495 6.933 0.492
24 1HB GLN 4 1HB GLN 4 1.248 9.085 2.292
25 2HB GLN 4 2HB GLN 4 2.292 7.860 2.953
26 1HG GLN 4 1HG GLN 4 4.197 8.801 2.270
27 2HG GLN 4 2HG GLN 4 3.681 8.939 0.611
28 1HE2 GLN 4 2HE2 GLN 4 4.290 10.712 3.454
29 2HE2 GLN 4 1HE2 GLN 4 3.693 12.333 2.830
30 1HB1 DIV 5 1HB1 DIV 5 -0.309 4.616 3.830
31 2HB1 DIV 5 2HB1 DIV 5 -1.254 6.012 4.287
32 1HG1 DIV 5 1HG1 DIV 5 -2.474 3.194 3.912
33 2HG1 DIV 5 2HG1 DIV 5 -1.985 3.929 5.455
34 3HG1 DIV 5 3HG1 DIV 5 -3.314 4.645 4.520
35 1HB2 DIV 5 1HB2 DIV 5 -3.142 6.429 1.017
36 2HB2 DIV 5 2HB2 DIV 5 -3.764 5.359 2.267
37 3HB2 DIV 5 3HB2 DIV 5 -3.076 6.935 2.715
38 H DIV 5 H DIV 5 -0.884 7.405 1.520
39 H ILE 6 H ILE 6 -1.862 5.270 -0.423
40 HA ILE 6 HA ILE 6 -2.135 2.447 -0.662
41 HB ILE 6 HB ILE 6 -3.210 4.009 -2.177
42 1HG1 ILE 6 1HG1 ILE 6 -1.678 1.869 -3.759
43 2HG1 ILE 6 2HG1 ILE 6 -2.906 1.465 -2.577
44 1HG2 ILE 6 1HG2 ILE 6 -0.574 4.183 -3.779
45 2HG2 ILE 6 2HG2 ILE 6 -2.139 4.932 -4.186
46 3HG2 ILE 6 3HG2 ILE 6 -1.232 5.487 -2.769
47 1HD1 ILE 6 1HD1 ILE 6 -3.435 3.162 -5.098
48 2HD1 ILE 6 2HD1 ILE 6 -3.906 1.471 -4.826
49 3HD1 ILE 6 3HD1 ILE 6 -4.648 2.761 -3.852
50 H THR 7 H THR 7 0.853 4.363 -1.314
51 HA THR 7 HA THR 7 2.428 2.107 -2.280
52 HB THR 7 HB THR 7 3.460 4.643 -0.885
53 HG1 THR 7 HG1 THR 7 3.727 5.291 -3.038
54 1HG2 THR 7 1HG2 THR 7 5.556 4.273 -2.244
55 2HG2 THR 7 2HG2 THR 7 5.328 2.966 -1.064
56 3HG2 THR 7 3HG2 THR 7 4.937 2.692 -2.782
57 1HB1 AIB 8 1HB1 AIB 8 0.972 2.763 3.235
58 2HB1 AIB 8 2HB1 AIB 8 2.001 1.942 4.422
59 3HB1 AIB 8 3HB1 AIB 8 2.606 3.372 3.562
60 1HB2 AIB 8 1HB2 AIB 8 4.674 2.118 2.751
61 2HB2 AIB 8 2HB2 AIB 8 4.122 0.718 3.691
62 3HB2 AIB 8 3HB2 AIB 8 4.529 0.524 1.977
63 H AIB 8 H AIB 8 1.940 3.188 1.011
64 H LEU 9 H LEU 9 0.339 1.163 1.049
65 HA LEU 9 HA LEU 9 -0.363 -1.529 2.120
66 1HB LEU 9 1HB LEU 9 -1.849 0.670 0.734
67 2HB LEU 9 2HB LEU 9 -2.282 -0.931 0.238
68 HG LEU 9 HG LEU 9 -2.162 -0.339 3.232
69 1HD1 LEU 9 1HD1 LEU 9 -4.579 0.261 1.401
70 2HD1 LEU 9 2HD1 LEU 9 -4.581 0.282 3.185
71 3HD1 LEU 9 3HD1 LEU 9 -3.605 1.462 2.290
72 1HD2 LEU 9 1HD2 LEU 9 -2.439 -2.750 2.443
73 2HD2 LEU 9 2HD2 LEU 9 -3.845 -2.183 3.349
74 3HD2 LEU 9 3HD2 LEU 9 -3.910 -2.296 1.570
75 1HB1 AIB 10 1HB1 AIB 10 3.360 -0.842 -2.256
76 2HB1 AIB 10 2HB1 AIB 10 2.892 -1.692 -3.725
77 3HB1 AIB 10 3HB1 AIB 10 2.006 -0.241 -3.212
78 1HB2 AIB 10 1HB2 AIB 10 -0.198 -1.343 -3.280
79 2HB2 AIB 10 2HB2 AIB 10 0.632 -2.769 -3.957
80 3HB2 AIB 10 3HB2 AIB 10 -0.459 -2.953 -2.572
81 H AIB 10 H AIB 10 1.385 -0.339 -0.634
82 HA HYP 11 HA HYP 11 3.985 -5.511 -0.917
83 1HB HYP 11 1HB HYP 11 5.147 -5.112 1.529
84 2HB HYP 11 2HB HYP 11 5.798 -4.389 0.047
85 1HD HYP 11 1HD HYP 11 2.971 -1.760 0.526
86 2HD HYP 11 2HD HYP 11 4.340 -1.770 -0.586
87 HOD HYP 11 HOD HYP 11 6.192 -2.717 2.221
88 HG HYP 11 HG HYP 11 3.958 -3.092 2.137
89 H GLN 12 H GLN 12 1.491 -4.003 1.014
90 HA GLN 12 HA GLN 12 0.808 -6.483 2.431
91 1HB GLN 12 1HB GLN 12 -0.535 -3.753 2.476
92 2HB GLN 12 2HB GLN 12 -1.061 -5.123 3.434
93 1HG GLN 12 1HG GLN 12 1.152 -5.182 4.630
94 2HG GLN 12 2HG GLN 12 1.699 -3.784 3.711
95 1HE2 GLN 12 2HE2 GLN 12 0.459 -4.574 6.624
96 2HE2 GLN 12 1HE2 GLN 12 -0.356 -2.981 7.032
97 1HB1 AIB 13 1HB1 AIB 13 -0.187 -6.025 -3.070
98 2HB1 AIB 13 2HB1 AIB 13 -1.753 -6.640 -3.610
99 3HB1 AIB 13 3HB1 AIB 13 -1.620 -5.037 -2.859
100 1HB2 AIB 13 1HB2 AIB 13 -3.295 -5.397 -1.130
101 2HB2 AIB 13 2HB2 AIB 13 -3.655 -6.915 -1.982
102 3HB2 AIB 13 3HB2 AIB 13 -3.411 -6.927 -0.238
103 H AIB 13 H AIB 13 0.204 -5.501 -0.747
104 HA HYP 14 HA HYP 14 -0.208 -10.697 -2.487
105 1HB HYP 14 1HB HYP 14 2.464 -11.151 -1.929
106 2HB HYP 14 2HB HYP 14 1.885 -10.240 -3.336
107 1HD HYP 14 1HD HYP 14 1.450 -7.201 -1.009
108 2HD HYP 14 2HD HYP 14 1.324 -7.452 -2.750
109 HOD HYP 14 HOD HYP 14 3.285 -8.296 -3.285
110 HG HYP 14 HG HYP 14 2.743 -9.101 -0.600
111 1HB1 AIB 15 1HB1 AIB 15 0.576 -9.363 3.146
112 2HB1 AIB 15 2HB1 AIB 15 0.973 -10.736 4.194
113 3HB1 AIB 15 3HB1 AIB 15 2.167 -10.086 3.059
114 1HB2 AIB 15 1HB2 AIB 15 2.662 -12.167 1.871
115 2HB2 AIB 15 2HB2 AIB 15 1.692 -12.978 3.118
116 3HB2 AIB 15 3HB2 AIB 15 1.383 -13.304 1.404
117 H AIB 15 H AIB 15 1.151 -9.704 0.708
118 HA PRO 16 HA PRO 16 -3.493 -12.400 3.086
119 1HB PRO 16 1HB PRO 16 -5.286 -10.464 2.325
120 2HB PRO 16 2HB PRO 16 -4.282 -10.332 3.778
121 1HG PRO 16 1HG PRO 16 -3.802 -9.042 1.048
122 2HG PRO 16 2HG PRO 16 -3.691 -8.284 2.653
123 1HD PRO 16 1HD PRO 16 -1.497 -9.292 1.223
124 2HD PRO 16 2HD PRO 16 -1.498 -9.141 2.986
125 H1 PHL 17 H1 PHL 17 -2.151 -12.958 -2.102
126 H2 PHL 17 H2 PHL 17 -2.514 -11.361 -2.769
127 HO PHL 17 HO PHL 17 -3.956 -12.341 -4.182
128 HA PHL 17 HA PHL 17 -4.565 -13.231 -1.437
129 1HB PHL 17 1HB PHL 17 -4.910 -10.198 -1.981
130 2HB PHL 17 2HB PHL 17 -5.394 -11.396 -3.143
131 HD1 PHL 17 HD1 PHL 17 -7.215 -13.087 -2.619
132 HD2 PHL 17 HD2 PHL 17 -6.352 -9.816 0.041
133 HE1 PHL 17 HE1 PHL 17 -9.385 -13.407 -1.509
134 HE2 PHL 17 HE2 PHL 17 -8.530 -10.154 1.141
135 HZ PHL 17 HZ PHL 17 -10.047 -11.947 0.371
136 H PHL 17 H PHL 17 -3.027 -10.872 -0.195
137 H1 ACE 1 H1 ACE 1 -1.829 12.625 1.627
138 H2 ACE 1 H2 ACE 1 -0.697 11.634 2.598
139 H3 ACE 1 H3 ACE 1 -0.418 11.837 0.855
Start of MODEL 10
1 H TRP 2 H TRP 2 -3.376 11.178 0.028
2 HA TRP 2 HA TRP 2 -4.228 8.388 0.352
3 1HB TRP 2 1HB TRP 2 -5.631 10.175 -0.786
4 2HB TRP 2 2HB TRP 2 -4.524 10.159 -2.144
5 HD1 TRP 2 HD1 TRP 2 -4.753 8.092 -3.900
6 HE1 TRP 2 HE1 TRP 2 -6.427 6.083 -4.258
7 HE3 TRP 2 HE3 TRP 2 -7.106 8.501 0.610
8 HZ2 TRP 2 HZ2 TRP 2 -8.505 4.958 -2.640
9 HZ3 TRP 2 HZ3 TRP 2 -8.931 6.923 1.155
10 HH2 TRP 2 HH2 TRP 2 -9.623 5.184 -0.445
11 H ILE 3 H ILE 3 -1.686 9.963 -1.624
12 HA ILE 3 HA ILE 3 -0.995 7.512 -3.036
13 HB ILE 3 HB ILE 3 -0.595 9.844 -3.872
14 1HG1 ILE 3 1HG1 ILE 3 0.166 7.832 -5.073
15 2HG1 ILE 3 2HG1 ILE 3 0.987 9.326 -5.440
16 1HG2 ILE 3 1HG2 ILE 3 2.024 9.840 -2.269
17 2HG2 ILE 3 2HG2 ILE 3 1.506 11.041 -3.476
18 3HG2 ILE 3 3HG2 ILE 3 0.606 10.868 -1.953
19 1HD1 ILE 3 1HD1 ILE 3 2.229 7.099 -3.696
20 2HD1 ILE 3 2HD1 ILE 3 2.553 7.388 -5.416
21 3HD1 ILE 3 3HD1 ILE 3 3.035 8.602 -4.213
22 H GLN 4 H GLN 4 0.420 8.887 -0.145
23 HA GLN 4 HA GLN 4 2.276 6.591 0.250
24 1HB GLN 4 1HB GLN 4 1.602 8.992 1.982
25 2HB GLN 4 2HB GLN 4 2.367 7.614 2.734
26 1HG GLN 4 1HG GLN 4 3.546 8.915 0.215
27 2HG GLN 4 2HG GLN 4 3.906 9.466 1.850
28 1HE2 GLN 4 2HE2 GLN 4 6.089 8.961 0.866
29 2HE2 GLN 4 1HE2 GLN 4 6.754 7.292 1.247
30 1HB1 DIV 5 1HB1 DIV 5 -0.338 4.395 3.765
31 2HB1 DIV 5 2HB1 DIV 5 -1.285 5.771 4.258
32 1HG1 DIV 5 1HG1 DIV 5 -2.480 2.946 3.897
33 2HG1 DIV 5 2HG1 DIV 5 -1.937 3.660 5.427
34 3HG1 DIV 5 3HG1 DIV 5 -3.311 4.374 4.561
35 1HB2 DIV 5 1HB2 DIV 5 -3.291 6.145 1.037
36 2HB2 DIV 5 2HB2 DIV 5 -3.834 5.057 2.312
37 3HB2 DIV 5 3HB2 DIV 5 -3.188 6.653 2.734
38 H DIV 5 H DIV 5 -1.020 7.196 1.445
39 H ILE 6 H ILE 6 -1.890 5.080 -0.449
40 HA ILE 6 HA ILE 6 -2.073 2.256 -0.869
41 HB ILE 6 HB ILE 6 -1.463 4.507 -2.843
42 1HG1 ILE 6 1HG1 ILE 6 -3.693 4.803 -1.893
43 2HG1 ILE 6 2HG1 ILE 6 -3.787 4.390 -3.579
44 1HG2 ILE 6 1HG2 ILE 6 -2.153 1.603 -3.590
45 2HG2 ILE 6 2HG2 ILE 6 -2.151 2.983 -4.721
46 3HG2 ILE 6 3HG2 ILE 6 -0.648 2.480 -3.945
47 1HD1 ILE 6 1HD1 ILE 6 -4.413 2.475 -1.229
48 2HD1 ILE 6 2HD1 ILE 6 -5.579 3.257 -2.319
49 3HD1 ILE 6 3HD1 ILE 6 -4.481 2.010 -2.950
50 H THR 7 H THR 7 0.866 4.294 -1.508
51 HA THR 7 HA THR 7 2.443 1.983 -2.323
52 HB THR 7 HB THR 7 4.500 3.400 -2.046
53 HG1 THR 7 HG1 THR 7 2.612 5.391 -1.377
54 1HG2 THR 7 1HG2 THR 7 3.971 4.981 -3.887
55 2HG2 THR 7 2HG2 THR 7 3.278 3.380 -4.224
56 3HG2 THR 7 3HG2 THR 7 2.228 4.703 -3.665
57 1HB1 AIB 8 1HB1 AIB 8 1.333 2.914 3.286
58 2HB1 AIB 8 2HB1 AIB 8 2.534 2.225 4.386
59 3HB1 AIB 8 3HB1 AIB 8 2.946 3.649 3.412
60 1HB2 AIB 8 1HB2 AIB 8 5.022 2.413 2.494
61 2HB2 AIB 8 2HB2 AIB 8 4.580 1.045 3.536
62 3HB2 AIB 8 3HB2 AIB 8 4.862 0.781 1.811
63 H AIB 8 H AIB 8 2.158 3.348 0.910
64 H LEU 9 H LEU 9 0.562 1.220 1.174
65 HA LEU 9 HA LEU 9 0.136 -1.450 2.424
66 1HB LEU 9 1HB LEU 9 -1.556 0.381 0.640
67 2HB LEU 9 2HB LEU 9 -1.980 -1.287 0.797
68 HG LEU 9 HG LEU 9 -1.807 0.610 3.199
69 1HD1 LEU 9 1HD1 LEU 9 -4.275 -0.420 1.643
70 2HD1 LEU 9 2HD1 LEU 9 -4.313 0.594 3.107
71 3HD1 LEU 9 3HD1 LEU 9 -3.643 1.244 1.597
72 1HD2 LEU 9 1HD2 LEU 9 -1.503 -1.751 3.956
73 2HD2 LEU 9 2HD2 LEU 9 -3.126 -1.204 4.395
74 3HD2 LEU 9 3HD2 LEU 9 -2.905 -2.281 2.996
75 1HB1 AIB 10 1HB1 AIB 10 3.832 -1.062 -1.956
76 2HB1 AIB 10 2HB1 AIB 10 3.295 -1.834 -3.448
77 3HB1 AIB 10 3HB1 AIB 10 2.556 -0.308 -2.918
78 1HB2 AIB 10 1HB2 AIB 10 0.254 -1.216 -3.052
79 2HB2 AIB 10 2HB2 AIB 10 0.949 -2.723 -3.701
80 3HB2 AIB 10 3HB2 AIB 10 -0.170 -2.780 -2.327
81 H AIB 10 H AIB 10 1.672 -0.279 -0.478
82 HA HYP 11 HA HYP 11 4.063 -5.720 -0.766
83 1HB HYP 11 1HB HYP 11 5.232 -5.536 1.709
84 2HB HYP 11 2HB HYP 11 5.923 -4.786 0.261
85 1HD HYP 11 1HD HYP 11 3.143 -2.125 0.968
86 2HD HYP 11 2HD HYP 11 4.509 -1.916 -0.128
87 HOD HYP 11 HOD HYP 11 6.566 -3.300 2.292
88 HG HYP 11 HG HYP 11 4.259 -3.464 2.456
89 H GLN 12 H GLN 12 1.665 -4.185 1.278
90 HA GLN 12 HA GLN 12 0.696 -6.769 2.313
91 1HB GLN 12 1HB GLN 12 -0.005 -3.876 3.005
92 2HB GLN 12 2HB GLN 12 -1.012 -5.185 3.554
93 1HG GLN 12 1HG GLN 12 1.984 -4.997 4.206
94 2HG GLN 12 2HG GLN 12 0.690 -4.377 5.224
95 1HE2 GLN 12 2HE2 GLN 12 2.406 -6.095 6.312
96 2HE2 GLN 12 1HE2 GLN 12 1.572 -7.698 6.629
97 1HB1 AIB 13 1HB1 AIB 13 -0.148 -5.646 -3.014
98 2HB1 AIB 13 2HB1 AIB 13 -1.745 -6.120 -3.603
99 3HB1 AIB 13 3HB1 AIB 13 -1.522 -4.598 -2.724
100 1HB2 AIB 13 1HB2 AIB 13 -3.216 -4.989 -1.007
101 2HB2 AIB 13 2HB2 AIB 13 -3.666 -6.364 -2.045
102 3HB2 AIB 13 3HB2 AIB 13 -3.466 -6.605 -0.317
103 H AIB 13 H AIB 13 0.317 -5.479 -0.649
104 HA HYP 14 HA HYP 14 -0.525 -10.404 -2.672
105 1HB HYP 14 1HB HYP 14 2.132 -11.037 -2.267
106 2HB HYP 14 2HB HYP 14 1.550 -10.046 -3.616
107 1HD HYP 14 1HD HYP 14 1.425 -7.067 -1.166
108 2HD HYP 14 2HD HYP 14 1.221 -7.236 -2.913
109 HOD HYP 14 HOD HYP 14 3.087 -8.249 -3.595
110 HG HYP 14 HG HYP 14 2.614 -9.056 -0.898
111 1HB1 AIB 15 1HB1 AIB 15 0.660 -9.293 2.997
112 2HB1 AIB 15 2HB1 AIB 15 1.009 -10.747 3.950
113 3HB1 AIB 15 3HB1 AIB 15 2.182 -10.132 2.771
114 1HB2 AIB 15 1HB2 AIB 15 2.438 -12.181 1.473
115 2HB2 AIB 15 2HB2 AIB 15 1.468 -12.987 2.725
116 3HB2 AIB 15 3HB2 AIB 15 1.048 -13.186 1.017
117 H AIB 15 H AIB 15 0.967 -9.518 0.519
118 HA PRO 16 HA PRO 16 -3.621 -12.005 3.071
119 1HB PRO 16 1HB PRO 16 -5.325 -9.932 2.488
120 2HB PRO 16 2HB PRO 16 -4.240 -9.929 3.889
121 1HG PRO 16 1HG PRO 16 -3.837 -8.536 1.208
122 2HG PRO 16 2HG PRO 16 -3.554 -7.887 2.837
123 1HD PRO 16 1HD PRO 16 -1.560 -8.974 1.169
124 2HD PRO 16 2HD PRO 16 -1.399 -8.878 2.932
125 H1 PHL 17 H1 PHL 17 -2.808 -12.797 -2.032
126 H2 PHL 17 H2 PHL 17 -2.789 -11.185 -2.762
127 HO PHL 17 HO PHL 17 -4.498 -11.845 -4.095
128 HA PHL 17 HA PHL 17 -5.219 -12.441 -1.342
129 1HB PHL 17 1HB PHL 17 -4.753 -9.532 -2.274
130 2HB PHL 17 2HB PHL 17 -5.808 -10.687 -3.039
131 HD1 PHL 17 HD1 PHL 17 -5.693 -8.101 -0.540
132 HD2 PHL 17 HD2 PHL 17 -7.776 -11.721 -1.581
133 HE1 PHL 17 HE1 PHL 17 -7.582 -7.439 0.891
134 HE2 PHL 17 HE2 PHL 17 -9.651 -11.045 -0.141
135 HZ PHL 17 HZ PHL 17 -9.560 -8.907 1.096
136 H PHL 17 H PHL 17 -3.260 -10.366 -0.168
137 H1 ACE 1 H1 ACE 1 -2.238 12.246 1.774
138 H2 ACE 1 H2 ACE 1 -1.218 11.215 2.826
139 H3 ACE 1 H3 ACE 1 -0.800 11.413 1.107
Start of MODEL 11
1 H TRP 2 H TRP 2 -3.003 11.306 -0.315
2 HA TRP 2 HA TRP 2 -4.028 8.627 0.293
3 1HB TRP 2 1HB TRP 2 -5.594 8.828 -1.320
4 2HB TRP 2 2HB TRP 2 -5.395 10.477 -0.827
5 HD1 TRP 2 HD1 TRP 2 -5.573 8.287 -3.825
6 HE1 TRP 2 HE1 TRP 2 -4.965 9.464 -6.101
7 HE3 TRP 2 HE3 TRP 2 -3.451 12.462 -1.771
8 HZ2 TRP 2 HZ2 TRP 2 -3.613 11.891 -6.742
9 HZ3 TRP 2 HZ3 TRP 2 -2.450 14.147 -3.280
10 HH2 TRP 2 HH2 TRP 2 -2.529 13.864 -5.723
11 H ILE 3 H ILE 3 -1.576 9.813 -1.964
12 HA ILE 3 HA ILE 3 -1.014 7.200 -3.171
13 HB ILE 3 HB ILE 3 0.767 9.676 -3.056
14 1HG1 ILE 3 1HG1 ILE 3 -1.234 10.251 -4.296
15 2HG1 ILE 3 2HG1 ILE 3 0.113 10.138 -5.393
16 1HG2 ILE 3 1HG2 ILE 3 1.170 7.183 -4.816
17 2HG2 ILE 3 2HG2 ILE 3 2.038 8.724 -5.017
18 3HG2 ILE 3 3HG2 ILE 3 2.250 7.780 -3.536
19 1HD1 ILE 3 1HD1 ILE 3 -2.122 8.015 -5.081
20 2HD1 ILE 3 2HD1 ILE 3 -1.920 9.159 -6.423
21 3HD1 ILE 3 3HD1 ILE 3 -0.734 7.852 -6.191
22 H GLN 4 H GLN 4 0.182 8.633 -0.207
23 HA GLN 4 HA GLN 4 2.021 6.302 0.248
24 1HB GLN 4 1HB GLN 4 1.491 8.658 2.122
25 2HB GLN 4 2HB GLN 4 2.489 7.281 2.530
26 1HG GLN 4 1HG GLN 4 3.023 9.275 0.272
27 2HG GLN 4 2HG GLN 4 3.874 9.151 1.807
28 1HE2 GLN 4 2HE2 GLN 4 4.373 8.565 -1.314
29 2HE2 GLN 4 1HE2 GLN 4 5.518 7.139 -1.177
30 1HB1 DIV 5 1HB1 DIV 5 -0.854 4.420 3.837
31 2HB1 DIV 5 2HB1 DIV 5 -1.687 5.909 4.203
32 1HG1 DIV 5 1HG1 DIV 5 -3.214 3.258 3.797
33 2HG1 DIV 5 2HG1 DIV 5 -2.621 3.837 5.372
34 3HG1 DIV 5 3HG1 DIV 5 -3.838 4.774 4.481
35 1HB2 DIV 5 1HB2 DIV 5 -3.504 6.190 0.822
36 2HB2 DIV 5 2HB2 DIV 5 -4.179 5.219 2.116
37 3HB2 DIV 5 3HB2 DIV 5 -3.485 6.811 2.483
38 H DIV 5 H DIV 5 -1.230 7.184 1.350
39 H ILE 6 H ILE 6 -2.115 4.966 -0.510
40 HA ILE 6 HA ILE 6 -2.123 2.093 -0.713
41 HB ILE 6 HB ILE 6 -1.783 4.254 -2.846
42 1HG1 ILE 6 1HG1 ILE 6 -3.974 3.043 -3.702
43 2HG1 ILE 6 2HG1 ILE 6 -4.026 2.241 -2.146
44 1HG2 ILE 6 1HG2 ILE 6 -1.769 1.224 -3.438
45 2HG2 ILE 6 2HG2 ILE 6 -1.930 2.524 -4.646
46 3HG2 ILE 6 3HG2 ILE 6 -0.436 2.366 -3.729
47 1HD1 ILE 6 1HD1 ILE 6 -4.166 5.300 -2.618
48 2HD1 ILE 6 2HD1 ILE 6 -5.544 4.232 -2.301
49 3HD1 ILE 6 3HD1 ILE 6 -4.342 4.506 -1.024
50 H THR 7 H THR 7 0.706 4.260 -1.362
51 HA THR 7 HA THR 7 2.443 2.085 -2.100
52 HB THR 7 HB THR 7 3.304 4.819 -1.024
53 HG1 THR 7 HG1 THR 7 3.415 5.264 -3.233
54 1HG2 THR 7 1HG2 THR 7 5.352 4.503 -2.451
55 2HG2 THR 7 2HG2 THR 7 5.315 3.340 -1.108
56 3HG2 THR 7 3HG2 THR 7 4.888 2.808 -2.759
57 1HB1 AIB 8 1HB1 AIB 8 1.040 2.795 3.456
58 2HB1 AIB 8 2HB1 AIB 8 2.242 2.203 4.613
59 3HB1 AIB 8 3HB1 AIB 8 2.554 3.690 3.700
60 1HB2 AIB 8 1HB2 AIB 8 4.782 2.787 2.834
61 2HB2 AIB 8 2HB2 AIB 8 4.512 1.340 3.830
62 3HB2 AIB 8 3HB2 AIB 8 4.886 1.171 2.109
63 H AIB 8 H AIB 8 1.944 3.361 1.147
64 H LEU 9 H LEU 9 0.458 1.117 1.557
65 HA LEU 9 HA LEU 9 0.432 -1.687 2.536
66 1HB LEU 9 1HB LEU 9 -1.602 0.098 1.087
67 2HB LEU 9 2HB LEU 9 -1.721 -1.621 0.922
68 HG LEU 9 HG LEU 9 -1.608 -1.788 3.526
69 1HD1 LEU 9 1HD1 LEU 9 -2.647 1.102 3.314
70 2HD1 LEU 9 2HD1 LEU 9 -2.593 0.102 4.781
71 3HD1 LEU 9 3HD1 LEU 9 -1.081 0.633 4.022
72 1HD2 LEU 9 1HD2 LEU 9 -3.596 -2.414 2.151
73 2HD2 LEU 9 2HD2 LEU 9 -4.103 -1.613 3.649
74 3HD2 LEU 9 3HD2 LEU 9 -4.138 -0.717 2.108
75 1HB1 AIB 10 1HB1 AIB 10 3.914 -0.768 -1.900
76 2HB1 AIB 10 2HB1 AIB 10 3.438 -1.533 -3.417
77 3HB1 AIB 10 3HB1 AIB 10 2.599 -0.082 -2.845
78 1HB2 AIB 10 1HB2 AIB 10 0.359 -1.001 -2.916
79 2HB2 AIB 10 2HB2 AIB 10 1.060 -2.440 -3.701
80 3HB2 AIB 10 3HB2 AIB 10 -0.013 -2.624 -2.297
81 H AIB 10 H AIB 10 1.768 -0.228 -0.344
82 HA HYP 11 HA HYP 11 4.358 -5.572 -1.150
83 1HB HYP 11 1HB HYP 11 5.698 -5.514 1.240
84 2HB HYP 11 2HB HYP 11 6.261 -4.645 -0.193
85 1HD HYP 11 1HD HYP 11 3.414 -2.186 0.918
86 2HD HYP 11 2HD HYP 11 4.685 -1.765 -0.223
87 HOD HYP 11 HOD HYP 11 6.982 -3.221 1.932
88 HG HYP 11 HG HYP 11 4.743 -3.529 2.208
89 H GLN 12 H GLN 12 2.123 -4.196 1.198
90 HA GLN 12 HA GLN 12 1.319 -6.825 2.244
91 1HB GLN 12 1HB GLN 12 0.448 -3.996 3.045
92 2HB GLN 12 2HB GLN 12 -0.178 -5.464 3.774
93 1HG GLN 12 1HG GLN 12 2.114 -6.103 4.574
94 2HG GLN 12 2HG GLN 12 2.771 -4.609 3.908
95 1HE2 GLN 12 2HE2 GLN 12 3.010 -5.274 6.576
96 2HE2 GLN 12 1HE2 GLN 12 2.060 -4.056 7.564
97 1HB1 AIB 13 1HB1 AIB 13 -0.193 -5.566 -2.924
98 2HB1 AIB 13 2HB1 AIB 13 -1.895 -5.847 -3.316
99 3HB1 AIB 13 3HB1 AIB 13 -1.397 -4.386 -2.444
100 1HB2 AIB 13 1HB2 AIB 13 -2.894 -4.652 -0.527
101 2HB2 AIB 13 2HB2 AIB 13 -3.619 -5.941 -1.514
102 3HB2 AIB 13 3HB2 AIB 13 -3.215 -6.248 0.169
103 H AIB 13 H AIB 13 0.536 -5.374 -0.631
104 HA HYP 14 HA HYP 14 -0.927 -10.190 -2.773
105 1HB HYP 14 1HB HYP 14 1.673 -11.126 -2.547
106 2HB HYP 14 2HB HYP 14 1.113 -10.022 -3.812
107 1HD HYP 14 1HD HYP 14 1.449 -7.192 -1.195
108 2HD HYP 14 2HD HYP 14 1.097 -7.225 -2.930
109 HOD HYP 14 HOD HYP 14 2.771 -8.322 -3.809
110 HG HYP 14 HG HYP 14 2.465 -9.286 -1.142
111 1HB1 AIB 15 1HB1 AIB 15 0.767 -9.630 2.820
112 2HB1 AIB 15 2HB1 AIB 15 1.025 -11.167 3.662
113 3HB1 AIB 15 3HB1 AIB 15 2.162 -10.615 2.419
114 1HB2 AIB 15 1HB2 AIB 15 2.059 -12.619 1.005
115 2HB2 AIB 15 2HB2 AIB 15 1.108 -13.364 2.305
116 3HB2 AIB 15 3HB2 AIB 15 0.520 -13.425 0.636
117 H AIB 15 H AIB 15 0.957 -9.804 0.282
118 HA PRO 16 HA PRO 16 -3.752 -11.747 3.191
119 1HB PRO 16 1HB PRO 16 -5.236 -9.465 2.780
120 2HB PRO 16 2HB PRO 16 -4.047 -9.636 4.082
121 1HG PRO 16 1HG PRO 16 -3.688 -8.254 1.387
122 2HG PRO 16 2HG PRO 16 -3.220 -7.665 2.999
123 1HD PRO 16 1HD PRO 16 -1.458 -8.926 1.222
124 2HD PRO 16 2HD PRO 16 -1.220 -8.952 2.978
125 H1 PHL 17 H1 PHL 17 -4.867 -11.857 -3.292
126 H2 PHL 17 H2 PHL 17 -3.499 -12.256 -2.264
127 HO PHL 17 HO PHL 17 -3.012 -9.992 -2.230
128 HA PHL 17 HA PHL 17 -5.674 -12.103 -1.071
129 1HB PHL 17 1HB PHL 17 -5.619 -9.072 -1.641
130 2HB PHL 17 2HB PHL 17 -6.650 -10.214 -2.457
131 HD1 PHL 17 HD1 PHL 17 -6.393 -8.105 0.469
132 HD2 PHL 17 HD2 PHL 17 -8.311 -11.667 -1.003
133 HE1 PHL 17 HE1 PHL 17 -8.082 -7.945 2.250
134 HE2 PHL 17 HE2 PHL 17 -9.987 -11.492 0.788
135 HZ PHL 17 HZ PHL 17 -9.882 -9.631 2.412
136 H PHL 17 H PHL 17 -3.565 -10.090 -0.090
137 H1 ACE 1 H1 ACE 1 -1.555 12.384 1.009
138 H2 ACE 1 H2 ACE 1 -0.853 11.501 2.400
139 H3 ACE 1 H3 ACE 1 -0.185 11.261 0.766
Start of MODEL 12
1 H TRP 2 H TRP 2 -3.565 11.346 -0.676
2 HA TRP 2 HA TRP 2 -3.640 8.707 0.596
3 1HB TRP 2 1HB TRP 2 -5.596 10.001 -0.647
4 2HB TRP 2 2HB TRP 2 -4.951 9.306 -2.113
5 HD1 TRP 2 HD1 TRP 2 -5.328 6.570 -2.424
6 HE1 TRP 2 HE1 TRP 2 -6.795 4.743 -1.202
7 HE3 TRP 2 HE3 TRP 2 -6.493 9.406 1.656
8 HZ2 TRP 2 HZ2 TRP 2 -8.272 4.744 1.250
9 HZ3 TRP 2 HZ3 TRP 2 -7.960 8.449 3.402
10 HH2 TRP 2 HH2 TRP 2 -8.838 6.157 3.202
11 H ILE 3 H ILE 3 -1.635 9.940 -1.949
12 HA ILE 3 HA ILE 3 -0.843 7.333 -3.034
13 HB ILE 3 HB ILE 3 1.120 8.321 -4.049
14 1HG1 ILE 3 1HG1 ILE 3 1.124 11.018 -4.058
15 2HG1 ILE 3 2HG1 ILE 3 0.455 10.851 -2.451
16 1HG2 ILE 3 1HG2 ILE 3 -1.377 9.996 -4.624
17 2HG2 ILE 3 2HG2 ILE 3 -0.007 9.686 -5.717
18 3HG2 ILE 3 3HG2 ILE 3 -1.063 8.351 -5.227
19 1HD1 ILE 3 1HD1 ILE 3 3.131 9.609 -3.433
20 2HD1 ILE 3 2HD1 ILE 3 2.970 11.112 -2.499
21 3HD1 ILE 3 3HD1 ILE 3 2.538 9.558 -1.755
22 H GLN 4 H GLN 4 0.108 8.927 -0.098
23 HA GLN 4 HA GLN 4 2.260 6.954 0.533
24 1HB GLN 4 1HB GLN 4 0.848 8.936 2.409
25 2HB GLN 4 2HB GLN 4 2.047 7.786 2.924
26 1HG GLN 4 1HG GLN 4 3.655 9.240 2.522
27 2HG GLN 4 2HG GLN 4 3.455 8.940 0.816
28 1HE2 GLN 4 2HE2 GLN 4 3.245 10.852 -0.308
29 2HE2 GLN 4 1HE2 GLN 4 2.519 12.401 0.350
30 1HB1 DIV 5 1HB1 DIV 5 -0.481 4.609 3.845
31 2HB1 DIV 5 2HB1 DIV 5 -1.470 5.987 4.258
32 1HG1 DIV 5 1HG1 DIV 5 -2.633 3.136 3.988
33 2HG1 DIV 5 2HG1 DIV 5 -2.077 3.886 5.500
34 3HG1 DIV 5 3HG1 DIV 5 -3.458 4.581 4.629
35 1HB2 DIV 5 1HB2 DIV 5 -3.424 6.156 0.981
36 2HB2 DIV 5 2HB2 DIV 5 -3.973 5.147 2.315
37 3HB2 DIV 5 3HB2 DIV 5 -3.347 6.776 2.641
38 H DIV 5 H DIV 5 -1.167 7.301 1.472
39 H ILE 6 H ILE 6 -1.962 5.028 -0.427
40 HA ILE 6 HA ILE 6 -2.058 2.167 -0.559
41 HB ILE 6 HB ILE 6 -3.219 3.593 -2.159
42 1HG1 ILE 6 1HG1 ILE 6 -1.444 1.513 -3.563
43 2HG1 ILE 6 2HG1 ILE 6 -2.772 1.102 -2.495
44 1HG2 ILE 6 1HG2 ILE 6 -0.558 3.968 -3.678
45 2HG2 ILE 6 2HG2 ILE 6 -2.163 4.584 -4.140
46 3HG2 ILE 6 3HG2 ILE 6 -1.348 5.223 -2.703
47 1HD1 ILE 6 1HD1 ILE 6 -3.096 2.676 -5.130
48 2HD1 ILE 6 2HD1 ILE 6 -3.518 0.975 -4.845
49 3HD1 ILE 6 3HD1 ILE 6 -4.419 2.261 -4.006
50 H THR 7 H THR 7 0.771 4.298 -1.266
51 HA THR 7 HA THR 7 2.509 2.153 -2.176
52 HB THR 7 HB THR 7 3.302 4.817 -0.876
53 HG1 THR 7 HG1 THR 7 3.496 5.426 -3.009
54 1HG2 THR 7 1HG2 THR 7 5.462 4.596 -2.145
55 2HG2 THR 7 2HG2 THR 7 5.327 3.327 -0.912
56 3HG2 THR 7 3HG2 THR 7 5.028 2.935 -2.624
57 1HB1 AIB 8 1HB1 AIB 8 1.045 2.800 3.327
58 2HB1 AIB 8 2HB1 AIB 8 2.121 2.068 4.528
59 3HB1 AIB 8 3HB1 AIB 8 2.626 3.533 3.664
60 1HB2 AIB 8 1HB2 AIB 8 4.793 2.455 2.835
61 2HB2 AIB 8 2HB2 AIB 8 4.369 1.027 3.801
62 3HB2 AIB 8 3HB2 AIB 8 4.773 0.845 2.085
63 H AIB 8 H AIB 8 1.993 3.270 1.100
64 H LEU 9 H LEU 9 0.495 1.089 1.240
65 HA LEU 9 HA LEU 9 0.109 -1.633 2.396
66 1HB LEU 9 1HB LEU 9 -1.594 0.250 0.683
67 2HB LEU 9 2HB LEU 9 -1.987 -1.433 0.729
68 HG LEU 9 HG LEU 9 -1.847 0.272 3.277
69 1HD1 LEU 9 1HD1 LEU 9 -4.304 -0.533 1.578
70 2HD1 LEU 9 2HD1 LEU 9 -4.345 0.328 3.139
71 3HD1 LEU 9 3HD1 LEU 9 -3.619 1.106 1.718
72 1HD2 LEU 9 1HD2 LEU 9 -1.585 -2.163 3.793
73 2HD2 LEU 9 2HD2 LEU 9 -3.208 -1.642 4.272
74 3HD2 LEU 9 3HD2 LEU 9 -2.982 -2.575 2.771
75 1HB1 AIB 10 1HB1 AIB 10 3.740 -0.902 -2.024
76 2HB1 AIB 10 2HB1 AIB 10 3.205 -1.633 -3.538
77 3HB1 AIB 10 3HB1 AIB 10 2.404 -0.178 -2.918
78 1HB2 AIB 10 1HB2 AIB 10 0.161 -1.170 -3.040
79 2HB2 AIB 10 2HB2 AIB 10 0.893 -2.618 -3.780
80 3HB2 AIB 10 3HB2 AIB 10 -0.186 -2.784 -2.381
81 H AIB 10 H AIB 10 1.683 -0.340 -0.415
82 HA HYP 11 HA HYP 11 4.214 -5.629 -1.079
83 1HB HYP 11 1HB HYP 11 5.473 -5.488 1.353
84 2HB HYP 11 2HB HYP 11 6.085 -4.644 -0.081
85 1HD HYP 11 1HD HYP 11 3.260 -2.086 0.794
86 2HD HYP 11 2HD HYP 11 4.593 -1.868 -0.340
87 HOD HYP 11 HOD HYP 11 6.597 -3.136 2.219
88 HG HYP 11 HG HYP 11 4.398 -3.502 2.206
89 H GLN 12 H GLN 12 1.850 -4.238 1.101
90 HA GLN 12 HA GLN 12 1.071 -6.888 2.150
91 1HB GLN 12 1HB GLN 12 0.258 -4.067 3.016
92 2HB GLN 12 2HB GLN 12 -0.483 -5.520 3.666
93 1HG GLN 12 1HG GLN 12 1.689 -6.326 4.581
94 2HG GLN 12 2HG GLN 12 2.533 -4.937 3.912
95 1HE2 GLN 12 2HE2 GLN 12 2.250 -2.886 4.913
96 2HE2 GLN 12 1HE2 GLN 12 1.442 -2.728 6.553
97 1HB1 AIB 13 1HB1 AIB 13 -0.232 -5.730 -3.036
98 2HB1 AIB 13 2HB1 AIB 13 -1.888 -6.159 -3.494
99 3HB1 AIB 13 3HB1 AIB 13 -1.548 -4.628 -2.667
100 1HB2 AIB 13 1HB2 AIB 13 -3.111 -4.928 -0.820
101 2HB2 AIB 13 2HB2 AIB 13 -3.689 -6.323 -1.765
102 3HB2 AIB 13 3HB2 AIB 13 -3.343 -6.511 -0.053
103 H AIB 13 H AIB 13 0.388 -5.451 -0.714
104 HA HYP 14 HA HYP 14 -0.666 -10.398 -2.693
105 1HB HYP 14 1HB HYP 14 1.984 -11.140 -2.361
106 2HB HYP 14 2HB HYP 14 1.391 -10.118 -3.681
107 1HD HYP 14 1HD HYP 14 1.444 -7.163 -1.198
108 2HD HYP 14 2HD HYP 14 1.154 -7.315 -2.939
109 HOD HYP 14 HOD HYP 14 2.960 -8.298 -3.676
110 HG HYP 14 HG HYP 14 2.586 -9.193 -0.994
111 1HB1 AIB 15 1HB1 AIB 15 0.798 -9.525 2.940
112 2HB1 AIB 15 2HB1 AIB 15 1.065 -11.021 3.853
113 3HB1 AIB 15 3HB1 AIB 15 2.241 -10.473 2.645
114 1HB2 AIB 15 1HB2 AIB 15 2.296 -12.490 1.280
115 2HB2 AIB 15 2HB2 AIB 15 1.336 -13.249 2.569
116 3HB2 AIB 15 3HB2 AIB 15 0.823 -13.393 0.880
117 H AIB 15 H AIB 15 1.029 -9.734 0.441
118 HA PRO 16 HA PRO 16 -3.646 -11.907 3.227
119 1HB PRO 16 1HB PRO 16 -5.224 -9.703 2.733
120 2HB PRO 16 2HB PRO 16 -4.078 -9.800 4.083
121 1HG PRO 16 1HG PRO 16 -3.695 -8.416 1.398
122 2HG PRO 16 2HG PRO 16 -3.293 -7.805 3.017
123 1HD PRO 16 1HD PRO 16 -1.453 -9.007 1.264
124 2HD PRO 16 2HD PRO 16 -1.224 -8.969 3.023
125 H1 PHL 17 H1 PHL 17 -3.136 -12.844 -1.795
126 H2 PHL 17 H2 PHL 17 -2.922 -11.257 -2.548
127 HO PHL 17 HO PHL 17 -4.852 -11.790 -3.782
128 HA PHL 17 HA PHL 17 -5.488 -12.209 -1.117
129 1HB PHL 17 1HB PHL 17 -4.737 -9.374 -2.114
130 2HB PHL 17 2HB PHL 17 -5.830 -10.458 -2.927
131 HD1 PHL 17 HD1 PHL 17 -8.033 -11.162 -1.818
132 HD2 PHL 17 HD2 PHL 17 -5.569 -8.016 -0.219
133 HE1 PHL 17 HE1 PHL 17 -9.935 -10.329 -0.499
134 HE2 PHL 17 HE2 PHL 17 -7.483 -7.201 1.096
135 HZ PHL 17 HZ PHL 17 -9.667 -8.355 0.966
136 H PHL 17 H PHL 17 -3.360 -10.271 -0.005
137 H1 ACE 1 H1 ACE 1 -1.257 12.503 -0.519
138 H2 ACE 1 H2 ACE 1 -2.405 13.058 0.739
139 H3 ACE 1 H3 ACE 1 -0.763 12.502 1.189
Start of MODEL 13
1 H TRP 2 H TRP 2 -2.947 11.333 -0.287
2 HA TRP 2 HA TRP 2 -4.130 8.678 0.205
3 1HB TRP 2 1HB TRP 2 -4.265 10.368 -2.353
4 2HB TRP 2 2HB TRP 2 -5.195 8.919 -2.050
5 HD1 TRP 2 HD1 TRP 2 -6.720 9.183 0.559
6 HE1 TRP 2 HE1 TRP 2 -8.375 11.128 1.230
7 HE3 TRP 2 HE3 TRP 2 -4.936 12.639 -2.760
8 HZ2 TRP 2 HZ2 TRP 2 -8.708 13.817 0.314
9 HZ3 TRP 2 HZ3 TRP 2 -5.973 14.881 -2.819
10 HH2 TRP 2 HH2 TRP 2 -7.820 15.463 -1.302
11 H ILE 3 H ILE 3 -1.628 9.929 -2.026
12 HA ILE 3 HA ILE 3 -0.868 7.295 -3.070
13 HB ILE 3 HB ILE 3 1.176 8.255 -3.991
14 1HG1 ILE 3 1HG1 ILE 3 1.139 10.997 -3.941
15 2HG1 ILE 3 2HG1 ILE 3 0.501 10.731 -2.337
16 1HG2 ILE 3 1HG2 ILE 3 -1.279 9.952 -4.672
17 2HG2 ILE 3 2HG2 ILE 3 0.139 9.643 -5.705
18 3HG2 ILE 3 3HG2 ILE 3 -0.945 8.309 -5.267
19 1HD1 ILE 3 1HD1 ILE 3 3.215 9.764 -3.469
20 2HD1 ILE 3 2HD1 ILE 3 2.944 10.997 -2.215
21 3HD1 ILE 3 3HD1 ILE 3 2.634 9.285 -1.860
22 H GLN 4 H GLN 4 0.174 8.986 -0.215
23 HA GLN 4 HA GLN 4 2.274 7.012 0.514
24 1HB GLN 4 1HB GLN 4 0.893 9.274 2.054
25 2HB GLN 4 2HB GLN 4 1.908 8.129 2.908
26 1HG GLN 4 1HG GLN 4 3.877 8.640 1.608
27 2HG GLN 4 2HG GLN 4 2.978 9.573 0.426
28 1HE2 GLN 4 2HE2 GLN 4 3.280 11.729 0.694
29 2HE2 GLN 4 1HE2 GLN 4 3.604 12.568 2.292
30 1HB1 DIV 5 1HB1 DIV 5 -0.463 4.716 3.917
31 2HB1 DIV 5 2HB1 DIV 5 -1.493 6.073 4.297
32 1HG1 DIV 5 1HG1 DIV 5 -2.520 3.176 4.034
33 2HG1 DIV 5 2HG1 DIV 5 -2.148 4.026 5.548
34 3HG1 DIV 5 3HG1 DIV 5 -3.487 4.584 4.526
35 1HB2 DIV 5 1HB2 DIV 5 -3.349 6.249 0.990
36 2HB2 DIV 5 2HB2 DIV 5 -3.922 5.206 2.287
37 3HB2 DIV 5 3HB2 DIV 5 -3.323 6.833 2.663
38 H DIV 5 H DIV 5 -1.122 7.386 1.528
39 H ILE 6 H ILE 6 -1.995 5.076 -0.393
40 HA ILE 6 HA ILE 6 -2.013 2.216 -0.447
41 HB ILE 6 HB ILE 6 -3.288 3.532 -2.027
42 1HG1 ILE 6 1HG1 ILE 6 -1.535 1.430 -3.429
43 2HG1 ILE 6 2HG1 ILE 6 -2.787 1.045 -2.266
44 1HG2 ILE 6 1HG2 ILE 6 -0.698 3.963 -3.654
45 2HG2 ILE 6 2HG2 ILE 6 -2.349 4.430 -4.131
46 3HG2 ILE 6 3HG2 ILE 6 -1.576 5.212 -2.746
47 1HD1 ILE 6 1HD1 ILE 6 -3.306 2.439 -4.967
48 2HD1 ILE 6 2HD1 ILE 6 -3.661 0.750 -4.542
49 3HD1 ILE 6 3HD1 ILE 6 -4.554 2.067 -3.744
50 H THR 7 H THR 7 0.787 4.325 -1.264
51 HA THR 7 HA THR 7 2.528 2.186 -2.176
52 HB THR 7 HB THR 7 3.345 4.806 -0.801
53 HG1 THR 7 HG1 THR 7 3.605 5.454 -2.942
54 1HG2 THR 7 1HG2 THR 7 5.507 4.581 -2.073
55 2HG2 THR 7 2HG2 THR 7 5.337 3.266 -0.894
56 3HG2 THR 7 3HG2 THR 7 5.030 2.951 -2.619
57 1HB1 AIB 8 1HB1 AIB 8 0.993 2.780 3.331
58 2HB1 AIB 8 2HB1 AIB 8 2.084 2.060 4.526
59 3HB1 AIB 8 3HB1 AIB 8 2.569 3.528 3.656
60 1HB2 AIB 8 1HB2 AIB 8 4.748 2.443 2.843
61 2HB2 AIB 8 2HB2 AIB 8 4.308 1.025 3.818
62 3HB2 AIB 8 3HB2 AIB 8 4.727 0.827 2.107
63 H AIB 8 H AIB 8 1.936 3.254 1.094
64 H LEU 9 H LEU 9 0.396 1.122 1.289
65 HA LEU 9 HA LEU 9 0.042 -1.639 2.337
66 1HB LEU 9 1HB LEU 9 -1.644 0.351 0.792
67 2HB LEU 9 2HB LEU 9 -1.975 -1.322 0.537
68 HG LEU 9 HG LEU 9 -3.375 -0.167 2.206
69 1HD1 LEU 9 1HD1 LEU 9 -1.970 -2.708 3.278
70 2HD1 LEU 9 2HD1 LEU 9 -3.604 -2.147 3.712
71 3HD1 LEU 9 3HD1 LEU 9 -3.263 -2.682 2.057
72 1HD2 LEU 9 1HD2 LEU 9 -1.674 1.127 3.507
73 2HD2 LEU 9 2HD2 LEU 9 -2.720 0.148 4.548
74 3HD2 LEU 9 3HD2 LEU 9 -1.050 -0.376 4.208
75 1HB1 AIB 10 1HB1 AIB 10 3.803 -0.944 -1.964
76 2HB1 AIB 10 2HB1 AIB 10 3.322 -1.691 -3.489
77 3HB1 AIB 10 3HB1 AIB 10 2.505 -0.223 -2.916
78 1HB2 AIB 10 1HB2 AIB 10 0.254 -1.188 -3.090
79 2HB2 AIB 10 2HB2 AIB 10 0.989 -2.648 -3.801
80 3HB2 AIB 10 3HB2 AIB 10 -0.128 -2.794 -2.434
81 H AIB 10 H AIB 10 1.696 -0.354 -0.434
82 HA HYP 11 HA HYP 11 4.193 -5.704 -0.995
83 1HB HYP 11 1HB HYP 11 5.381 -5.563 1.465
84 2HB HYP 11 2HB HYP 11 6.052 -4.742 0.042
85 1HD HYP 11 1HD HYP 11 3.228 -2.155 0.842
86 2HD HYP 11 2HD HYP 11 4.585 -1.921 -0.255
87 HOD HYP 11 HOD HYP 11 6.582 -3.270 2.267
88 HG HYP 11 HG HYP 11 4.335 -3.555 2.281
89 H GLN 12 H GLN 12 1.796 -4.236 1.093
90 HA GLN 12 HA GLN 12 0.923 -6.845 2.152
91 1HB GLN 12 1HB GLN 12 0.188 -3.969 2.893
92 2HB GLN 12 2HB GLN 12 -0.692 -5.320 3.555
93 1HG GLN 12 1HG GLN 12 2.344 -4.970 3.922
94 2HG GLN 12 2HG GLN 12 1.124 -4.324 5.010
95 1HE2 GLN 12 2HE2 GLN 12 1.789 -5.518 6.777
96 2HE2 GLN 12 1HE2 GLN 12 1.648 -7.343 6.871
97 1HB1 AIB 13 1HB1 AIB 13 -0.208 -5.739 -3.074
98 2HB1 AIB 13 2HB1 AIB 13 -1.847 -6.173 -3.581
99 3HB1 AIB 13 3HB1 AIB 13 -1.536 -4.645 -2.729
100 1HB2 AIB 13 1HB2 AIB 13 -3.168 -4.986 -0.925
101 2HB2 AIB 13 2HB2 AIB 13 -3.700 -6.380 -1.900
102 3HB2 AIB 13 3HB2 AIB 13 -3.390 -6.578 -0.182
103 H AIB 13 H AIB 13 0.341 -5.459 -0.747
104 HA HYP 14 HA HYP 14 -0.611 -10.431 -2.704
105 1HB HYP 14 1HB HYP 14 2.047 -11.124 -2.328
106 2HB HYP 14 2HB HYP 14 1.457 -10.130 -3.667
107 1HD HYP 14 1HD HYP 14 1.431 -7.142 -1.224
108 2HD HYP 14 2HD HYP 14 1.166 -7.321 -2.960
109 HOD HYP 14 HOD HYP 14 2.997 -8.375 -3.695
110 HG HYP 14 HG HYP 14 2.603 -9.156 -0.977
111 1HB1 AIB 15 1HB1 AIB 15 0.845 -9.590 2.990
112 2HB1 AIB 15 2HB1 AIB 15 1.144 -11.111 3.846
113 3HB1 AIB 15 3HB1 AIB 15 2.297 -10.506 2.644
114 1HB2 AIB 15 1HB2 AIB 15 2.355 -12.465 1.205
115 2HB2 AIB 15 2HB2 AIB 15 1.427 -13.287 2.478
116 3HB2 AIB 15 3HB2 AIB 15 0.889 -13.376 0.795
117 H AIB 15 H AIB 15 0.907 -9.644 0.512
118 HA PRO 16 HA PRO 16 -3.559 -12.012 3.243
119 1HB PRO 16 1HB PRO 16 -5.167 -9.811 2.884
120 2HB PRO 16 2HB PRO 16 -3.979 -9.941 4.193
121 1HG PRO 16 1HG PRO 16 -3.692 -8.460 1.542
122 2HG PRO 16 2HG PRO 16 -3.249 -7.894 3.169
123 1HD PRO 16 1HD PRO 16 -1.451 -9.024 1.321
124 2HD PRO 16 2HD PRO 16 -1.171 -9.028 3.077
125 H1 PHL 17 H1 PHL 17 -3.295 -12.710 -1.893
126 H2 PHL 17 H2 PHL 17 -3.169 -11.110 -2.636
127 HO PHL 17 HO PHL 17 -5.062 -11.581 -3.799
128 HA PHL 17 HA PHL 17 -5.600 -12.080 -1.002
129 1HB PHL 17 1HB PHL 17 -4.844 -9.253 -1.985
130 2HB PHL 17 2HB PHL 17 -6.110 -10.260 -2.632
131 HD1 PHL 17 HD1 PHL 17 -8.009 -11.072 -0.909
132 HD2 PHL 17 HD2 PHL 17 -5.473 -7.653 -0.284
133 HE1 PHL 17 HE1 PHL 17 -9.643 -10.137 0.674
134 HE2 PHL 17 HE2 PHL 17 -7.122 -6.728 1.289
135 HZ PHL 17 HZ PHL 17 -9.207 -7.967 1.774
136 H PHL 17 H PHL 17 -3.335 -10.266 0.037
137 H1 ACE 1 H1 ACE 1 -1.835 12.354 1.669
138 H2 ACE 1 H2 ACE 1 -0.691 11.219 2.449
139 H3 ACE 1 H3 ACE 1 -0.553 11.555 0.709
Start of MODEL 14
1 H TRP 2 H TRP 2 -3.546 11.335 -0.850
2 HA TRP 2 HA TRP 2 -3.674 8.723 0.473
3 1HB TRP 2 1HB TRP 2 -5.604 9.951 -0.803
4 2HB TRP 2 2HB TRP 2 -4.887 9.340 -2.281
5 HD1 TRP 2 HD1 TRP 2 -5.304 6.676 -2.804
6 HE1 TRP 2 HE1 TRP 2 -6.643 4.701 -1.667
7 HE3 TRP 2 HE3 TRP 2 -6.322 9.115 1.562
8 HZ2 TRP 2 HZ2 TRP 2 -7.944 4.429 0.867
9 HZ3 TRP 2 HZ3 TRP 2 -7.606 7.940 3.320
10 HH2 TRP 2 HH2 TRP 2 -8.410 5.637 2.975
11 H ILE 3 H ILE 3 -1.609 9.889 -2.073
12 HA ILE 3 HA ILE 3 -0.741 7.292 -3.079
13 HB ILE 3 HB ILE 3 1.379 8.354 -3.818
14 1HG1 ILE 3 1HG1 ILE 3 0.279 11.053 -2.815
15 2HG1 ILE 3 2HG1 ILE 3 1.495 10.134 -1.949
16 1HG2 ILE 3 1HG2 ILE 3 -1.135 9.882 -4.722
17 2HG2 ILE 3 2HG2 ILE 3 0.381 9.687 -5.637
18 3HG2 ILE 3 3HG2 ILE 3 -0.629 8.273 -5.295
19 1HD1 ILE 3 1HD1 ILE 3 1.874 11.281 -4.784
20 2HD1 ILE 3 2HD1 ILE 3 2.620 11.854 -3.276
21 3HD1 ILE 3 3HD1 ILE 3 3.066 10.261 -3.932
22 H GLN 4 H GLN 4 0.139 8.931 -0.146
23 HA GLN 4 HA GLN 4 2.280 6.996 0.598
24 1HB GLN 4 1HB GLN 4 0.844 9.218 2.139
25 2HB GLN 4 2HB GLN 4 1.905 8.103 2.975
26 1HG GLN 4 1HG GLN 4 3.852 8.690 1.675
27 2HG GLN 4 2HG GLN 4 2.921 9.571 0.481
28 1HE2 GLN 4 2HE2 GLN 4 4.895 10.080 3.062
29 2HE2 GLN 4 1HE2 GLN 4 4.329 11.772 3.488
30 1HB1 DIV 5 1HB1 DIV 5 -0.453 4.632 3.908
31 2HB1 DIV 5 2HB1 DIV 5 -1.466 5.990 4.321
32 1HG1 DIV 5 1HG1 DIV 5 -2.536 3.104 4.038
33 2HG1 DIV 5 2HG1 DIV 5 -2.082 3.907 5.552
34 3HG1 DIV 5 3HG1 DIV 5 -3.451 4.519 4.608
35 1HB2 DIV 5 1HB2 DIV 5 -3.373 6.167 1.012
36 2HB2 DIV 5 2HB2 DIV 5 -3.931 5.136 2.323
37 3HB2 DIV 5 3HB2 DIV 5 -3.339 6.772 2.678
38 H DIV 5 H DIV 5 -1.158 7.320 1.497
39 H ILE 6 H ILE 6 -1.890 5.066 -0.388
40 HA ILE 6 HA ILE 6 -2.079 2.211 -0.509
41 HB ILE 6 HB ILE 6 -3.232 3.661 -2.095
42 1HG1 ILE 6 1HG1 ILE 6 -1.514 1.542 -3.512
43 2HG1 ILE 6 2HG1 ILE 6 -2.850 1.169 -2.438
44 1HG2 ILE 6 1HG2 ILE 6 -0.595 3.983 -3.672
45 2HG2 ILE 6 2HG2 ILE 6 -2.199 4.648 -4.080
46 3HG2 ILE 6 3HG2 ILE 6 -1.325 5.244 -2.661
47 1HD1 ILE 6 1HD1 ILE 6 -3.142 2.743 -5.079
48 2HD1 ILE 6 2HD1 ILE 6 -3.601 1.053 -4.790
49 3HD1 ILE 6 3HD1 ILE 6 -4.472 2.362 -3.951
50 H THR 7 H THR 7 0.776 4.290 -1.205
51 HA THR 7 HA THR 7 2.475 2.115 -2.164
52 HB THR 7 HB THR 7 3.319 4.779 -0.892
53 HG1 THR 7 HG1 THR 7 3.486 5.375 -3.035
54 1HG2 THR 7 1HG2 THR 7 5.448 4.515 -2.214
55 2HG2 THR 7 2HG2 THR 7 5.321 3.264 -0.961
56 3HG2 THR 7 3HG2 THR 7 4.978 2.853 -2.661
57 1HB1 AIB 8 1HB1 AIB 8 1.065 2.829 3.363
58 2HB1 AIB 8 2HB1 AIB 8 2.164 2.102 4.545
59 3HB1 AIB 8 3HB1 AIB 8 2.660 3.551 3.651
60 1HB2 AIB 8 1HB2 AIB 8 4.798 2.430 2.809
61 2HB2 AIB 8 2HB2 AIB 8 4.369 1.017 3.791
62 3HB2 AIB 8 3HB2 AIB 8 4.746 0.814 2.074
63 H AIB 8 H AIB 8 1.964 3.258 1.104
64 H LEU 9 H LEU 9 0.482 1.092 1.236
65 HA LEU 9 HA LEU 9 0.070 -1.607 2.442
66 1HB LEU 9 1HB LEU 9 -1.616 0.253 0.686
67 2HB LEU 9 2HB LEU 9 -2.046 -1.418 0.817
68 HG LEU 9 HG LEU 9 -1.812 0.406 3.280
69 1HD1 LEU 9 1HD1 LEU 9 -4.336 -0.368 1.674
70 2HD1 LEU 9 2HD1 LEU 9 -4.307 0.555 3.198
71 3HD1 LEU 9 3HD1 LEU 9 -3.588 1.246 1.731
72 1HD2 LEU 9 1HD2 LEU 9 -1.647 -2.034 3.879
73 2HD2 LEU 9 2HD2 LEU 9 -3.195 -1.368 4.417
74 3HD2 LEU 9 3HD2 LEU 9 -3.129 -2.381 2.958
75 1HB1 AIB 10 1HB1 AIB 10 3.684 -0.921 -1.999
76 2HB1 AIB 10 2HB1 AIB 10 3.141 -1.646 -3.515
77 3HB1 AIB 10 3HB1 AIB 10 2.343 -0.189 -2.886
78 1HB2 AIB 10 1HB2 AIB 10 0.101 -1.200 -3.012
79 2HB2 AIB 10 2HB2 AIB 10 0.840 -2.638 -3.748
80 3HB2 AIB 10 3HB2 AIB 10 -0.235 -2.813 -2.352
81 H AIB 10 H AIB 10 1.626 -0.345 -0.401
82 HA HYP 11 HA HYP 11 4.244 -5.588 -1.040
83 1HB HYP 11 1HB HYP 11 5.416 -5.455 1.436
84 2HB HYP 11 2HB HYP 11 6.056 -4.582 0.031
85 1HD HYP 11 1HD HYP 11 3.179 -2.069 0.840
86 2HD HYP 11 2HD HYP 11 4.531 -1.859 -0.269
87 HOD HYP 11 HOD HYP 11 6.503 -3.114 2.306
88 HG HYP 11 HG HYP 11 4.270 -3.506 2.271
89 H GLN 12 H GLN 12 1.777 -4.298 1.097
90 HA GLN 12 HA GLN 12 1.007 -7.004 2.013
91 1HB GLN 12 1HB GLN 12 0.286 -4.255 3.154
92 2HB GLN 12 2HB GLN 12 -0.469 -5.746 3.698
93 1HG GLN 12 1HG GLN 12 1.724 -6.685 4.424
94 2HG GLN 12 2HG GLN 12 2.559 -5.228 3.905
95 1HE2 GLN 12 2HE2 GLN 12 2.113 -6.507 6.606
96 2HE2 GLN 12 1HE2 GLN 12 1.553 -5.104 7.648
97 1HB1 AIB 13 1HB1 AIB 13 -0.251 -5.699 -3.049
98 2HB1 AIB 13 2HB1 AIB 13 -1.892 -6.147 -3.531
99 3HB1 AIB 13 3HB1 AIB 13 -1.584 -4.619 -2.686
100 1HB2 AIB 13 1HB2 AIB 13 -3.147 -4.945 -0.823
101 2HB2 AIB 13 2HB2 AIB 13 -3.718 -6.302 -1.824
102 3HB2 AIB 13 3HB2 AIB 13 -3.392 -6.552 -0.117
103 H AIB 13 H AIB 13 0.375 -5.507 -0.729
104 HA HYP 14 HA HYP 14 -0.699 -10.411 -2.747
105 1HB HYP 14 1HB HYP 14 1.961 -11.129 -2.409
106 2HB HYP 14 2HB HYP 14 1.365 -10.139 -3.748
107 1HD HYP 14 1HD HYP 14 1.406 -7.148 -1.285
108 2HD HYP 14 2HD HYP 14 1.104 -7.304 -3.020
109 HOD HYP 14 HOD HYP 14 2.897 -8.311 -3.788
110 HG HYP 14 HG HYP 14 2.572 -9.169 -1.090
111 1HB1 AIB 15 1HB1 AIB 15 0.911 -9.504 2.860
112 2HB1 AIB 15 2HB1 AIB 15 1.223 -11.002 3.753
113 3HB1 AIB 15 3HB1 AIB 15 2.348 -10.441 2.506
114 1HB2 AIB 15 1HB2 AIB 15 2.364 -12.455 1.136
115 2HB2 AIB 15 2HB2 AIB 15 1.448 -13.234 2.444
116 3HB2 AIB 15 3HB2 AIB 15 0.881 -13.358 0.771
117 H AIB 15 H AIB 15 1.077 -9.727 0.331
118 HA PRO 16 HA PRO 16 -3.494 -11.930 3.274
119 1HB PRO 16 1HB PRO 16 -5.102 -9.726 2.915
120 2HB PRO 16 2HB PRO 16 -3.890 -9.848 4.202
121 1HG PRO 16 1HG PRO 16 -3.641 -8.397 1.531
122 2HG PRO 16 2HG PRO 16 -3.175 -7.819 3.146
123 1HD PRO 16 1HD PRO 16 -1.389 -8.962 1.297
124 2HD PRO 16 2HD PRO 16 -1.110 -8.975 3.050
125 H1 PHL 17 H1 PHL 17 -3.275 -10.884 -2.605
126 H2 PHL 17 H2 PHL 17 -4.628 -11.807 -3.255
127 HO PHL 17 HO PHL 17 -3.979 -13.586 -2.070
128 HA PHL 17 HA PHL 17 -5.559 -12.149 -0.963
129 1HB PHL 17 1HB PHL 17 -5.105 -9.193 -1.735
130 2HB PHL 17 2HB PHL 17 -6.324 -10.247 -2.397
131 HD1 PHL 17 HD1 PHL 17 -8.013 -11.383 -0.629
132 HD2 PHL 17 HD2 PHL 17 -5.756 -7.799 0.141
133 HE1 PHL 17 HE1 PHL 17 -9.565 -10.782 1.181
134 HE2 PHL 17 HE2 PHL 17 -7.327 -7.212 1.942
135 HZ PHL 17 HZ PHL 17 -9.227 -8.701 2.469
136 H PHL 17 H PHL 17 -3.312 -10.282 0.040
137 H1 ACE 1 H1 ACE 1 -1.231 12.478 -0.643
138 H2 ACE 1 H2 ACE 1 -2.427 13.072 0.546
139 H3 ACE 1 H3 ACE 1 -0.808 12.527 1.084
Start of MODEL 15
1 H TRP 2 H TRP 2 -2.983 11.356 -0.096
2 HA TRP 2 HA TRP 2 -4.067 8.643 0.271
3 1HB TRP 2 1HB TRP 2 -4.245 10.436 -2.218
4 2HB TRP 2 2HB TRP 2 -5.116 8.935 -1.998
5 HD1 TRP 2 HD1 TRP 2 -5.669 12.556 -1.648
6 HE1 TRP 2 HE1 TRP 2 -7.813 13.182 -0.243
7 HE3 TRP 2 HE3 TRP 2 -6.343 7.952 0.456
8 HZ2 TRP 2 HZ2 TRP 2 -9.428 11.721 1.613
9 HZ3 TRP 2 HZ3 TRP 2 -8.201 7.629 2.052
10 HH2 TRP 2 HH2 TRP 2 -9.713 9.485 2.630
11 H ILE 3 H ILE 3 -1.514 10.026 -1.783
12 HA ILE 3 HA ILE 3 -0.812 7.479 -3.081
13 HB ILE 3 HB ILE 3 0.841 10.042 -2.867
14 1HG1 ILE 3 1HG1 ILE 3 -0.708 8.895 -5.290
15 2HG1 ILE 3 2HG1 ILE 3 -1.336 10.151 -4.243
16 1HG2 ILE 3 1HG2 ILE 3 1.456 7.553 -4.601
17 2HG2 ILE 3 2HG2 ILE 3 2.318 9.107 -4.695
18 3HG2 ILE 3 3HG2 ILE 3 2.420 8.142 -3.227
19 1HD1 ILE 3 1HD1 ILE 3 1.119 10.469 -6.063
20 2HD1 ILE 3 2HD1 ILE 3 -0.478 11.215 -6.240
21 3HD1 ILE 3 3HD1 ILE 3 0.572 11.694 -4.884
22 H GLN 4 H GLN 4 0.279 8.977 -0.112
23 HA GLN 4 HA GLN 4 2.273 6.872 0.543
24 1HB GLN 4 1HB GLN 4 0.924 8.873 2.462
25 2HB GLN 4 2HB GLN 4 2.146 7.712 2.919
26 1HG GLN 4 1HG GLN 4 3.554 9.424 2.618
27 2HG GLN 4 2HG GLN 4 3.651 8.766 0.999
28 1HE2 GLN 4 2HE2 GLN 4 2.901 10.121 -0.712
29 2HE2 GLN 4 1HE2 GLN 4 2.212 11.797 -0.439
30 1HB1 DIV 5 1HB1 DIV 5 -0.588 4.541 3.787
31 2HB1 DIV 5 2HB1 DIV 5 -1.587 5.914 4.197
32 1HG1 DIV 5 1HG1 DIV 5 -2.736 3.071 3.809
33 2HG1 DIV 5 2HG1 DIV 5 -2.278 3.805 5.363
34 3HG1 DIV 5 3HG1 DIV 5 -3.605 4.505 4.415
35 1HB2 DIV 5 1HB2 DIV 5 -3.413 6.202 0.871
36 2HB2 DIV 5 2HB2 DIV 5 -4.011 5.161 2.157
37 3HB2 DIV 5 3HB2 DIV 5 -3.379 6.771 2.549
38 H DIV 5 H DIV 5 -1.158 7.281 1.412
39 H ILE 6 H ILE 6 -1.949 5.100 -0.545
40 HA ILE 6 HA ILE 6 -2.060 2.245 -0.729
41 HB ILE 6 HB ILE 6 -3.179 3.618 -2.342
42 1HG1 ILE 6 1HG1 ILE 6 -1.308 1.674 -3.810
43 2HG1 ILE 6 2HG1 ILE 6 -2.534 1.126 -2.685
44 1HG2 ILE 6 1HG2 ILE 6 -0.471 4.140 -3.736
45 2HG2 ILE 6 2HG2 ILE 6 -2.080 4.611 -4.330
46 3HG2 ILE 6 3HG2 ILE 6 -1.435 5.348 -2.855
47 1HD1 ILE 6 1HD1 ILE 6 -3.148 2.717 -5.257
48 2HD1 ILE 6 2HD1 ILE 6 -3.408 0.981 -4.978
49 3HD1 ILE 6 3HD1 ILE 6 -4.358 2.173 -4.062
50 H THR 7 H THR 7 0.815 4.340 -1.311
51 HA THR 7 HA THR 7 2.573 2.211 -2.187
52 HB THR 7 HB THR 7 3.378 4.792 -0.728
53 HG1 THR 7 HG1 THR 7 3.625 5.549 -2.805
54 1HG2 THR 7 1HG2 THR 7 5.547 4.597 -1.982
55 2HG2 THR 7 2HG2 THR 7 5.356 3.235 -0.858
56 3HG2 THR 7 3HG2 THR 7 5.067 2.997 -2.600
57 1HB1 AIB 8 1HB1 AIB 8 0.971 2.803 3.309
58 2HB1 AIB 8 2HB1 AIB 8 2.020 2.048 4.517
59 3HB1 AIB 8 3HB1 AIB 8 2.558 3.508 3.667
60 1HB2 AIB 8 1HB2 AIB 8 4.717 2.389 2.875
61 2HB2 AIB 8 2HB2 AIB 8 4.244 0.964 3.822
62 3HB2 AIB 8 3HB2 AIB 8 4.678 0.785 2.113
63 H AIB 8 H AIB 8 1.984 3.289 1.091
64 H LEU 9 H LEU 9 0.441 1.113 1.146
65 HA LEU 9 HA LEU 9 -0.033 -1.594 2.298
66 1HB LEU 9 1HB LEU 9 -1.633 0.297 0.507
67 2HB LEU 9 2HB LEU 9 -2.041 -1.384 0.523
68 HG LEU 9 HG LEU 9 -2.010 0.307 3.084
69 1HD1 LEU 9 1HD1 LEU 9 -4.393 -0.458 1.263
70 2HD1 LEU 9 2HD1 LEU 9 -4.502 0.391 2.827
71 3HD1 LEU 9 3HD1 LEU 9 -3.700 1.172 1.450
72 1HD2 LEU 9 1HD2 LEU 9 -1.803 -2.145 3.585
73 2HD2 LEU 9 2HD2 LEU 9 -3.429 -1.588 4.011
74 3HD2 LEU 9 3HD2 LEU 9 -3.174 -2.515 2.513
75 1HB1 AIB 10 1HB1 AIB 10 3.712 -0.862 -2.074
76 2HB1 AIB 10 2HB1 AIB 10 3.207 -1.633 -3.580
77 3HB1 AIB 10 3HB1 AIB 10 2.370 -0.182 -2.995
78 1HB2 AIB 10 1HB2 AIB 10 0.157 -1.218 -3.136
79 2HB2 AIB 10 2HB2 AIB 10 0.926 -2.668 -3.832
80 3HB2 AIB 10 3HB2 AIB 10 -0.173 -2.822 -2.449
81 H AIB 10 H AIB 10 1.627 -0.313 -0.492
82 HA HYP 11 HA HYP 11 4.267 -5.566 -1.055
83 1HB HYP 11 1HB HYP 11 5.500 -5.371 1.381
84 2HB HYP 11 2HB HYP 11 6.102 -4.528 -0.058
85 1HD HYP 11 1HD HYP 11 3.218 -2.022 0.759
86 2HD HYP 11 2HD HYP 11 4.557 -1.788 -0.364
87 HOD HYP 11 HOD HYP 11 6.658 -3.055 2.085
88 HG HYP 11 HG HYP 11 4.376 -3.387 2.204
89 H GLN 12 H GLN 12 1.872 -4.169 1.098
90 HA GLN 12 HA GLN 12 1.138 -6.772 2.268
91 1HB GLN 12 1HB GLN 12 0.309 -3.891 2.885
92 2HB GLN 12 2HB GLN 12 -0.500 -5.259 3.621
93 1HG GLN 12 1HG GLN 12 1.488 -6.032 4.779
94 2HG GLN 12 2HG GLN 12 2.542 -4.931 3.908
95 1HE2 GLN 12 2HE2 GLN 12 2.974 -3.031 4.901
96 2HE2 GLN 12 1HE2 GLN 12 2.004 -2.314 6.285
97 1HB1 AIB 13 1HB1 AIB 13 -0.252 -5.767 -2.987
98 2HB1 AIB 13 2HB1 AIB 13 -1.911 -6.192 -3.426
99 3HB1 AIB 13 3HB1 AIB 13 -1.555 -4.658 -2.609
100 1HB2 AIB 13 1HB2 AIB 13 -3.110 -4.949 -0.744
101 2HB2 AIB 13 2HB2 AIB 13 -3.697 -6.354 -1.667
102 3HB2 AIB 13 3HB2 AIB 13 -3.325 -6.524 0.040
103 H AIB 13 H AIB 13 0.373 -5.421 -0.680
104 HA HYP 14 HA HYP 14 -0.695 -10.424 -2.648
105 1HB HYP 14 1HB HYP 14 1.957 -11.172 -2.337
106 2HB HYP 14 2HB HYP 14 1.356 -10.140 -3.647
107 1HD HYP 14 1HD HYP 14 1.431 -7.212 -1.129
108 2HD HYP 14 2HD HYP 14 1.129 -7.334 -2.867
109 HOD HYP 14 HOD HYP 14 2.911 -8.318 -3.646
110 HG HYP 14 HG HYP 14 2.580 -9.234 -0.968
111 1HB1 AIB 15 1HB1 AIB 15 0.776 -9.580 2.987
112 2HB1 AIB 15 2HB1 AIB 15 1.095 -11.076 3.882
113 3HB1 AIB 15 3HB1 AIB 15 2.245 -10.482 2.670
114 1HB2 AIB 15 1HB2 AIB 15 2.341 -12.503 1.299
115 2HB2 AIB 15 2HB2 AIB 15 1.394 -13.290 2.578
116 3HB2 AIB 15 3HB2 AIB 15 0.882 -13.427 0.889
117 H AIB 15 H AIB 15 1.057 -9.796 0.462
118 HA PRO 16 HA PRO 16 -3.617 -12.042 3.234
119 1HB PRO 16 1HB PRO 16 -5.229 -9.868 2.778
120 2HB PRO 16 2HB PRO 16 -4.054 -9.938 4.100
121 1HG PRO 16 1HG PRO 16 -3.733 -8.569 1.391
122 2HG PRO 16 2HG PRO 16 -3.341 -7.922 2.999
123 1HD PRO 16 1HD PRO 16 -1.472 -9.103 1.270
124 2HD PRO 16 2HD PRO 16 -1.256 -9.058 3.030
125 H1 PHL 17 H1 PHL 17 -3.032 -12.420 -2.133
126 H2 PHL 17 H2 PHL 17 -3.294 -10.756 -2.671
127 HO PHL 17 HO PHL 17 -5.004 -11.476 -3.915
128 HA PHL 17 HA PHL 17 -5.352 -12.461 -1.138
129 1HB PHL 17 1HB PHL 17 -5.358 -9.399 -1.626
130 2HB PHL 17 2HB PHL 17 -6.273 -10.540 -2.576
131 HD1 PHL 17 HD1 PHL 17 -8.064 -12.038 -1.410
132 HD2 PHL 17 HD2 PHL 17 -6.329 -8.585 0.485
133 HE1 PHL 17 HE1 PHL 17 -9.947 -11.948 0.172
134 HE2 PHL 17 HE2 PHL 17 -8.223 -8.507 2.055
135 HZ PHL 17 HZ PHL 17 -10.033 -10.184 1.902
136 H PHL 17 H PHL 17 -3.380 -10.379 -0.015
137 H1 ACE 1 H1 ACE 1 -1.848 12.271 2.029
138 H2 ACE 1 H2 ACE 1 -0.562 11.118 2.496
139 H3 ACE 1 H3 ACE 1 -0.666 11.687 0.816
Start of MODEL 16
1 H TRP 2 H TRP 2 -3.412 11.381 -0.445
2 HA TRP 2 HA TRP 2 -3.906 8.634 0.468
3 1HB TRP 2 1HB TRP 2 -4.769 9.917 -2.187
4 2HB TRP 2 2HB TRP 2 -5.340 8.383 -1.569
5 HD1 TRP 2 HD1 TRP 2 -6.533 8.626 1.142
6 HE1 TRP 2 HE1 TRP 2 -8.300 10.381 2.015
7 HE3 TRP 2 HE3 TRP 2 -5.738 12.114 -2.509
8 HZ2 TRP 2 HZ2 TRP 2 -9.091 12.978 1.109
9 HZ3 TRP 2 HZ3 TRP 2 -7.016 14.229 -2.435
10 HH2 TRP 2 HH2 TRP 2 -8.656 14.657 -0.652
11 H ILE 3 H ILE 3 -1.620 9.950 -1.834
12 HA ILE 3 HA ILE 3 -0.865 7.394 -3.068
13 HB ILE 3 HB ILE 3 0.814 9.928 -2.844
14 1HG1 ILE 3 1HG1 ILE 3 -1.141 10.528 -4.116
15 2HG1 ILE 3 2HG1 ILE 3 0.220 10.431 -5.200
16 1HG2 ILE 3 1HG2 ILE 3 1.295 7.500 -4.678
17 2HG2 ILE 3 2HG2 ILE 3 2.162 9.055 -4.784
18 3HG2 ILE 3 3HG2 ILE 3 2.331 8.049 -3.340
19 1HD1 ILE 3 1HD1 ILE 3 -2.004 8.287 -4.952
20 2HD1 ILE 3 2HD1 ILE 3 -1.823 9.479 -6.257
21 3HD1 ILE 3 3HD1 ILE 3 -0.618 8.184 -6.070
22 H GLN 4 H GLN 4 0.260 9.020 -0.179
23 HA GLN 4 HA GLN 4 2.302 6.997 0.559
24 1HB GLN 4 1HB GLN 4 0.878 9.166 2.190
25 2HB GLN 4 2HB GLN 4 1.959 8.038 2.960
26 1HG GLN 4 1HG GLN 4 3.872 8.937 2.156
27 2HG GLN 4 2HG GLN 4 3.273 9.189 0.540
28 1HE2 GLN 4 2HE2 GLN 4 2.380 11.206 -0.009
29 2HE2 GLN 4 1HE2 GLN 4 2.437 12.646 1.125
30 1HB1 DIV 5 1HB1 DIV 5 -0.437 4.588 3.848
31 2HB1 DIV 5 2HB1 DIV 5 -1.438 5.950 4.279
32 1HG1 DIV 5 1HG1 DIV 5 -2.566 3.096 3.929
33 2HG1 DIV 5 2HG1 DIV 5 -2.072 3.835 5.466
34 3HG1 DIV 5 3HG1 DIV 5 -3.433 4.518 4.559
35 1HB2 DIV 5 1HB2 DIV 5 -3.345 6.206 0.991
36 2HB2 DIV 5 2HB2 DIV 5 -3.904 5.149 2.286
37 3HB2 DIV 5 3HB2 DIV 5 -3.290 6.770 2.670
38 H DIV 5 H DIV 5 -1.132 7.319 1.470
39 H ILE 6 H ILE 6 -1.950 5.072 -0.450
40 HA ILE 6 HA ILE 6 -2.019 2.214 -0.577
41 HB ILE 6 HB ILE 6 -3.243 3.544 -2.170
42 1HG1 ILE 6 1HG1 ILE 6 -2.918 2.199 -4.219
43 2HG1 ILE 6 2HG1 ILE 6 -1.368 1.607 -3.649
44 1HG2 ILE 6 1HG2 ILE 6 -0.615 4.102 -3.682
45 2HG2 ILE 6 2HG2 ILE 6 -2.262 4.572 -4.178
46 3HG2 ILE 6 3HG2 ILE 6 -1.529 5.295 -2.736
47 1HD1 ILE 6 1HD1 ILE 6 -4.076 1.036 -2.255
48 2HD1 ILE 6 2HD1 ILE 6 -3.244 -0.058 -3.388
49 3HD1 ILE 6 3HD1 ILE 6 -2.501 0.313 -1.820
50 H THR 7 H THR 7 0.806 4.331 -1.236
51 HA THR 7 HA THR 7 2.553 2.213 -2.218
52 HB THR 7 HB THR 7 3.345 4.820 -0.796
53 HG1 THR 7 HG1 THR 7 3.511 5.566 -2.878
54 1HG2 THR 7 1HG2 THR 7 5.492 4.655 -2.092
55 2HG2 THR 7 2HG2 THR 7 5.355 3.311 -0.940
56 3HG2 THR 7 3HG2 THR 7 5.042 3.031 -2.672
57 1HB1 AIB 8 1HB1 AIB 8 1.044 2.778 3.315
58 2HB1 AIB 8 2HB1 AIB 8 2.125 2.025 4.497
59 3HB1 AIB 8 3HB1 AIB 8 2.640 3.487 3.636
60 1HB2 AIB 8 1HB2 AIB 8 4.789 2.352 2.790
61 2HB2 AIB 8 2HB2 AIB 8 4.321 0.936 3.752
62 3HB2 AIB 8 3HB2 AIB 8 4.715 0.742 2.038
63 H AIB 8 H AIB 8 1.965 3.242 1.070
64 H LEU 9 H LEU 9 0.480 1.083 1.132
65 HA LEU 9 HA LEU 9 0.013 -1.611 2.322
66 1HB LEU 9 1HB LEU 9 -1.588 0.244 0.491
67 2HB LEU 9 2HB LEU 9 -2.029 -1.421 0.600
68 HG LEU 9 HG LEU 9 -1.932 0.412 3.059
69 1HD1 LEU 9 1HD1 LEU 9 -4.351 -0.421 1.322
70 2HD1 LEU 9 2HD1 LEU 9 -4.423 0.532 2.827
71 3HD1 LEU 9 3HD1 LEU 9 -3.627 1.203 1.390
72 1HD2 LEU 9 1HD2 LEU 9 -1.760 -2.022 3.687
73 2HD2 LEU 9 2HD2 LEU 9 -3.347 -1.381 4.138
74 3HD2 LEU 9 3HD2 LEU 9 -3.183 -2.403 2.689
75 1HB1 AIB 10 1HB1 AIB 10 3.769 -0.932 -2.023
76 2HB1 AIB 10 2HB1 AIB 10 3.270 -1.688 -3.539
77 3HB1 AIB 10 3HB1 AIB 10 2.448 -0.227 -2.959
78 1HB2 AIB 10 1HB2 AIB 10 0.219 -1.237 -3.125
79 2HB2 AIB 10 2HB2 AIB 10 0.970 -2.700 -3.814
80 3HB2 AIB 10 3HB2 AIB 10 -0.139 -2.837 -2.438
81 H AIB 10 H AIB 10 1.673 -0.358 -0.467
82 HA HYP 11 HA HYP 11 4.254 -5.628 -0.983
83 1HB HYP 11 1HB HYP 11 5.432 -5.451 1.493
84 2HB HYP 11 2HB HYP 11 6.083 -4.630 0.062
85 1HD HYP 11 1HD HYP 11 3.216 -2.072 0.811
86 2HD HYP 11 2HD HYP 11 4.582 -1.858 -0.289
87 HOD HYP 11 HOD HYP 11 6.597 -3.135 2.227
88 HG HYP 11 HG HYP 11 4.338 -3.448 2.281
89 H GLN 12 H GLN 12 1.818 -4.229 1.130
90 HA GLN 12 HA GLN 12 1.027 -6.862 2.204
91 1HB GLN 12 1HB GLN 12 0.171 -4.016 2.952
92 2HB GLN 12 2HB GLN 12 -0.624 -5.440 3.599
93 1HG GLN 12 1HG GLN 12 1.445 -6.246 4.684
94 2HG GLN 12 2HG GLN 12 2.394 -4.943 3.985
95 1HE2 GLN 12 2HE2 GLN 12 2.291 -2.891 4.944
96 2HE2 GLN 12 1HE2 GLN 12 1.352 -2.573 6.487
97 1HB1 AIB 13 1HB1 AIB 13 -0.079 -5.750 -3.039
98 2HB1 AIB 13 2HB1 AIB 13 -1.699 -6.220 -3.580
99 3HB1 AIB 13 3HB1 AIB 13 -1.427 -4.662 -2.771
100 1HB2 AIB 13 1HB2 AIB 13 -2.974 -4.855 -0.914
101 2HB2 AIB 13 2HB2 AIB 13 -3.592 -6.182 -1.922
102 3HB2 AIB 13 3HB2 AIB 13 -3.333 -6.439 -0.197
103 H AIB 13 H AIB 13 0.454 -5.514 -0.731
104 HA HYP 14 HA HYP 14 -0.714 -10.457 -2.661
105 1HB HYP 14 1HB HYP 14 1.922 -11.242 -2.318
106 2HB HYP 14 2HB HYP 14 1.352 -10.238 -3.656
107 1HD HYP 14 1HD HYP 14 1.473 -7.247 -1.210
108 2HD HYP 14 2HD HYP 14 1.182 -7.409 -2.946
109 HOD HYP 14 HOD HYP 14 2.939 -8.400 -3.674
110 HG HYP 14 HG HYP 14 2.584 -9.290 -0.992
111 1HB1 AIB 15 1HB1 AIB 15 0.785 -9.501 2.962
112 2HB1 AIB 15 2HB1 AIB 15 1.093 -10.985 3.879
113 3HB1 AIB 15 3HB1 AIB 15 2.242 -10.425 2.653
114 1HB2 AIB 15 1HB2 AIB 15 2.305 -12.470 1.315
115 2HB2 AIB 15 2HB2 AIB 15 1.364 -13.222 2.621
116 3HB2 AIB 15 3HB2 AIB 15 0.834 -13.390 0.937
117 H AIB 15 H AIB 15 1.051 -9.772 0.429
118 HA PRO 16 HA PRO 16 -3.637 -11.896 3.243
119 1HB PRO 16 1HB PRO 16 -5.237 -9.721 2.676
120 2HB PRO 16 2HB PRO 16 -4.117 -9.792 4.050
121 1HG PRO 16 1HG PRO 16 -3.703 -8.419 1.364
122 2HG PRO 16 2HG PRO 16 -3.316 -7.809 2.991
123 1HD PRO 16 1HD PRO 16 -1.463 -9.015 1.245
124 2HD PRO 16 2HD PRO 16 -1.237 -8.946 3.002
125 H1 PHL 17 H1 PHL 17 -3.304 -13.093 -1.678
126 H2 PHL 17 H2 PHL 17 -3.006 -11.603 -2.583
127 HO PHL 17 HO PHL 17 -4.982 -12.101 -3.735
128 HA PHL 17 HA PHL 17 -5.592 -12.225 -1.019
129 1HB PHL 17 1HB PHL 17 -4.671 -9.670 -2.453
130 2HB PHL 17 2HB PHL 17 -6.038 -10.679 -2.847
131 HD1 PHL 17 HD1 PHL 17 -5.186 -7.668 -1.282
132 HD2 PHL 17 HD2 PHL 17 -7.842 -11.007 -0.771
133 HE1 PHL 17 HE1 PHL 17 -6.643 -6.294 0.143
134 HE2 PHL 17 HE2 PHL 17 -9.293 -9.622 0.654
135 HZ PHL 17 HZ PHL 17 -8.697 -7.266 1.119
136 H PHL 17 H PHL 17 -3.387 -10.305 -0.061
137 H1 ACE 1 H1 ACE 1 -1.084 12.275 -0.008
138 H2 ACE 1 H2 ACE 1 -2.207 12.793 1.286
139 H3 ACE 1 H3 ACE 1 -0.647 12.014 1.693
Start of MODEL 17
1 H TRP 2 H TRP 2 -3.801 11.166 -0.554
2 HA TRP 2 HA TRP 2 -3.799 8.496 0.651
3 1HB TRP 2 1HB TRP 2 -5.843 9.739 -0.280
4 2HB TRP 2 2HB TRP 2 -5.303 9.328 -1.893
5 HD1 TRP 2 HD1 TRP 2 -6.347 7.593 1.505
6 HE1 TRP 2 HE1 TRP 2 -7.544 5.281 1.078
7 HE3 TRP 2 HE3 TRP 2 -5.662 7.519 -3.557
8 HZ2 TRP 2 HZ2 TRP 2 -8.115 3.789 -1.289
9 HZ3 TRP 2 HZ3 TRP 2 -6.569 5.618 -4.855
10 HH2 TRP 2 HH2 TRP 2 -7.788 3.792 -3.741
11 H ILE 3 H ILE 3 -1.848 9.744 -1.915
12 HA ILE 3 HA ILE 3 -1.200 7.171 -3.129
13 HB ILE 3 HB ILE 3 -0.755 9.261 -4.321
14 1HG1 ILE 3 1HG1 ILE 3 1.838 7.633 -4.051
15 2HG1 ILE 3 2HG1 ILE 3 0.400 7.021 -4.845
16 1HG2 ILE 3 1HG2 ILE 3 1.685 9.713 -2.475
17 2HG2 ILE 3 2HG2 ILE 3 1.223 10.695 -3.883
18 3HG2 ILE 3 3HG2 ILE 3 0.190 10.675 -2.442
19 1HD1 ILE 3 1HD1 ILE 3 1.951 9.521 -5.772
20 2HD1 ILE 3 2HD1 ILE 3 1.952 7.913 -6.531
21 3HD1 ILE 3 3HD1 ILE 3 0.465 8.887 -6.531
22 H GLN 4 H GLN 4 0.134 8.777 -0.321
23 HA GLN 4 HA GLN 4 2.099 6.589 0.193
24 1HB GLN 4 1HB GLN 4 1.401 9.113 1.730
25 2HB GLN 4 2HB GLN 4 2.192 7.817 2.594
26 1HG GLN 4 1HG GLN 4 3.337 8.883 -0.046
27 2HG GLN 4 2HG GLN 4 3.699 9.620 1.507
28 1HE2 GLN 4 2HE2 GLN 4 5.162 8.574 2.893
29 2HE2 GLN 4 1HE2 GLN 4 6.066 7.051 2.412
30 1HB1 DIV 5 1HB1 DIV 5 -0.424 4.517 3.853
31 2HB1 DIV 5 2HB1 DIV 5 -1.445 5.865 4.272
32 1HG1 DIV 5 1HG1 DIV 5 -2.549 2.997 3.971
33 2HG1 DIV 5 2HG1 DIV 5 -1.991 3.720 5.495
34 3HG1 DIV 5 3HG1 DIV 5 -3.390 4.412 4.650
35 1HB2 DIV 5 1HB2 DIV 5 -3.425 5.991 1.008
36 2HB2 DIV 5 2HB2 DIV 5 -3.929 4.962 2.343
37 3HB2 DIV 5 3HB2 DIV 5 -3.353 6.608 2.668
38 H DIV 5 H DIV 5 -1.217 7.149 1.344
39 H ILE 6 H ILE 6 -2.051 4.917 -0.384
40 HA ILE 6 HA ILE 6 -1.976 2.094 -0.731
41 HB ILE 6 HB ILE 6 -1.510 4.331 -2.757
42 1HG1 ILE 6 1HG1 ILE 6 -3.752 4.483 -1.802
43 2HG1 ILE 6 2HG1 ILE 6 -3.831 4.017 -3.480
44 1HG2 ILE 6 1HG2 ILE 6 -1.981 1.369 -3.441
45 2HG2 ILE 6 2HG2 ILE 6 -2.075 2.720 -4.600
46 3HG2 ILE 6 3HG2 ILE 6 -0.543 2.343 -3.811
47 1HD1 ILE 6 1HD1 ILE 6 -4.272 2.137 -1.056
48 2HD1 ILE 6 2HD1 ILE 6 -5.504 2.743 -2.175
49 3HD1 ILE 6 3HD1 ILE 6 -4.292 1.588 -2.755
50 H THR 7 H THR 7 0.835 4.305 -1.351
51 HA THR 7 HA THR 7 2.616 2.183 -2.202
52 HB THR 7 HB THR 7 3.371 4.883 -0.950
53 HG1 THR 7 HG1 THR 7 3.436 5.539 -3.069
54 1HG2 THR 7 1HG2 THR 7 5.455 4.751 -2.334
55 2HG2 THR 7 2HG2 THR 7 5.434 3.470 -1.106
56 3HG2 THR 7 3HG2 THR 7 5.062 3.079 -2.807
57 1HB1 AIB 8 1HB1 AIB 8 1.306 2.929 3.392
58 2HB1 AIB 8 2HB1 AIB 8 2.502 2.289 4.531
59 3HB1 AIB 8 3HB1 AIB 8 2.871 3.745 3.587
60 1HB2 AIB 8 1HB2 AIB 8 5.028 2.700 2.707
61 2HB2 AIB 8 2HB2 AIB 8 4.695 1.267 3.702
62 3HB2 AIB 8 3HB2 AIB 8 5.025 1.082 1.973
63 H AIB 8 H AIB 8 2.124 3.382 1.062
64 H LEU 9 H LEU 9 0.693 1.177 1.329
65 HA LEU 9 HA LEU 9 0.430 -1.518 2.581
66 1HB LEU 9 1HB LEU 9 -1.392 0.241 0.854
67 2HB LEU 9 2HB LEU 9 -1.753 -1.437 1.058
68 HG LEU 9 HG LEU 9 -1.532 0.485 3.438
69 1HD1 LEU 9 1HD1 LEU 9 -4.055 -0.533 1.968
70 2HD1 LEU 9 2HD1 LEU 9 -4.032 0.476 3.434
71 3HD1 LEU 9 3HD1 LEU 9 -3.415 1.126 1.904
72 1HD2 LEU 9 1HD2 LEU 9 -1.199 -1.893 4.160
73 2HD2 LEU 9 2HD2 LEU 9 -2.792 -1.322 4.686
74 3HD2 LEU 9 3HD2 LEU 9 -2.659 -2.399 3.274
75 1HB1 AIB 10 1HB1 AIB 10 3.982 -0.936 -1.885
76 2HB1 AIB 10 2HB1 AIB 10 3.425 -1.663 -3.397
77 3HB1 AIB 10 3HB1 AIB 10 2.674 -0.176 -2.789
78 1HB2 AIB 10 1HB2 AIB 10 0.398 -1.066 -2.880
79 2HB2 AIB 10 2HB2 AIB 10 1.066 -2.537 -3.631
80 3HB2 AIB 10 3HB2 AIB 10 -0.010 -2.664 -2.224
81 H AIB 10 H AIB 10 1.862 -0.265 -0.328
82 HA HYP 11 HA HYP 11 4.281 -5.678 -0.963
83 1HB HYP 11 1HB HYP 11 5.536 -5.619 1.479
84 2HB HYP 11 2HB HYP 11 6.180 -4.821 0.042
85 1HD HYP 11 1HD HYP 11 3.406 -2.201 0.994
86 2HD HYP 11 2HD HYP 11 4.715 -1.887 -0.147
87 HOD HYP 11 HOD HYP 11 6.902 -3.366 2.118
88 HG HYP 11 HG HYP 11 4.641 -3.562 2.358
89 H GLN 12 H GLN 12 1.994 -4.229 1.279
90 HA GLN 12 HA GLN 12 1.108 -6.847 2.293
91 1HB GLN 12 1HB GLN 12 0.232 -4.014 3.081
92 2HB GLN 12 2HB GLN 12 -0.442 -5.470 3.745
93 1HG GLN 12 1HG GLN 12 1.066 -5.534 5.368
94 2HG GLN 12 2HG GLN 12 2.307 -5.921 4.202
95 1HE2 GLN 12 2HE2 GLN 12 3.888 -4.841 5.424
96 2HE2 GLN 12 1HE2 GLN 12 3.929 -3.020 5.600
97 1HB1 AIB 13 1HB1 AIB 13 -0.130 -5.553 -2.927
98 2HB1 AIB 13 2HB1 AIB 13 -1.801 -5.887 -3.411
99 3HB1 AIB 13 3HB1 AIB 13 -1.394 -4.404 -2.523
100 1HB2 AIB 13 1HB2 AIB 13 -2.947 -4.671 -0.681
101 2HB2 AIB 13 2HB2 AIB 13 -3.617 -5.976 -1.689
102 3HB2 AIB 13 3HB2 AIB 13 -3.291 -6.264 0.016
103 H AIB 13 H AIB 13 0.486 -5.399 -0.608
104 HA HYP 14 HA HYP 14 -0.884 -10.219 -2.776
105 1HB HYP 14 1HB HYP 14 1.718 -11.124 -2.515
106 2HB HYP 14 2HB HYP 14 1.171 -10.029 -3.791
107 1HD HYP 14 1HD HYP 14 1.442 -7.187 -1.167
108 2HD HYP 14 2HD HYP 14 1.136 -7.218 -2.911
109 HOD HYP 14 HOD HYP 14 2.835 -8.299 -3.752
110 HG HYP 14 HG HYP 14 2.471 -9.276 -1.098
111 1HB1 AIB 15 1HB1 AIB 15 0.649 -9.550 2.853
112 2HB1 AIB 15 2HB1 AIB 15 0.894 -11.070 3.728
113 3HB1 AIB 15 3HB1 AIB 15 2.074 -10.516 2.528
114 1HB2 AIB 15 1HB2 AIB 15 2.075 -12.520 1.129
115 2HB2 AIB 15 2HB2 AIB 15 1.087 -13.286 2.392
116 3HB2 AIB 15 3HB2 AIB 15 0.574 -13.366 0.697
117 H AIB 15 H AIB 15 0.915 -9.741 0.324
118 HA PRO 16 HA PRO 16 -3.853 -11.826 3.044
119 1HB PRO 16 1HB PRO 16 -5.362 -9.566 2.650
120 2HB PRO 16 2HB PRO 16 -4.181 -9.715 3.964
121 1HG PRO 16 1HG PRO 16 -3.819 -8.315 1.273
122 2HG PRO 16 2HG PRO 16 -3.396 -7.712 2.892
123 1HD PRO 16 1HD PRO 16 -1.580 -8.944 1.142
124 2HD PRO 16 2HD PRO 16 -1.357 -8.932 2.898
125 H1 PHL 17 H1 PHL 17 -3.198 -12.014 -2.367
126 H2 PHL 17 H2 PHL 17 -3.424 -10.314 -2.790
127 HO PHL 17 HO PHL 17 -5.215 -10.944 -4.038
128 HA PHL 17 HA PHL 17 -5.506 -12.099 -1.380
129 1HB PHL 17 1HB PHL 17 -5.529 -9.013 -1.682
130 2HB PHL 17 2HB PHL 17 -6.431 -10.095 -2.705
131 HD1 PHL 17 HD1 PHL 17 -6.497 -8.367 0.498
132 HD2 PHL 17 HD2 PHL 17 -8.212 -11.677 -1.653
133 HE1 PHL 17 HE1 PHL 17 -8.381 -8.436 2.081
134 HE2 PHL 17 HE2 PHL 17 -10.086 -11.728 -0.061
135 HZ PHL 17 HZ PHL 17 -10.181 -10.106 1.802
136 H PHL 17 H PHL 17 -3.524 -10.095 -0.151
137 H1 ACE 1 H1 ACE 1 -1.448 12.309 -0.494
138 H2 ACE 1 H2 ACE 1 -2.554 12.834 0.812
139 H3 ACE 1 H3 ACE 1 -0.900 12.268 1.196
Start of MODEL 18
1 H TRP 2 H TRP 2 -3.370 11.253 -0.005
2 HA TRP 2 HA TRP 2 -4.242 8.467 0.238
3 1HB TRP 2 1HB TRP 2 -5.664 10.138 -0.851
4 2HB TRP 2 2HB TRP 2 -4.460 10.461 -2.079
5 HD1 TRP 2 HD1 TRP 2 -6.406 7.220 -0.815
6 HE1 TRP 2 HE1 TRP 2 -7.074 5.686 -2.855
7 HE3 TRP 2 HE3 TRP 2 -4.350 10.167 -4.446
8 HZ2 TRP 2 HZ2 TRP 2 -6.654 5.896 -5.677
9 HZ3 TRP 2 HZ3 TRP 2 -4.507 9.442 -6.802
10 HH2 TRP 2 HH2 TRP 2 -5.640 7.342 -7.410
11 H ILE 3 H ILE 3 -1.545 9.987 -1.552
12 HA ILE 3 HA ILE 3 -0.866 7.517 -2.991
13 HB ILE 3 HB ILE 3 0.807 10.035 -2.649
14 1HG1 ILE 3 1HG1 ILE 3 -1.180 10.581 -3.927
15 2HG1 ILE 3 2HG1 ILE 3 0.211 10.610 -4.979
16 1HG2 ILE 3 1HG2 ILE 3 1.406 7.684 -4.547
17 2HG2 ILE 3 2HG2 ILE 3 2.213 9.272 -4.587
18 3HG2 ILE 3 3HG2 ILE 3 2.392 8.231 -3.171
19 1HD1 ILE 3 1HD1 ILE 3 -1.909 8.352 -4.887
20 2HD1 ILE 3 2HD1 ILE 3 -1.736 9.598 -6.139
21 3HD1 ILE 3 3HD1 ILE 3 -0.482 8.348 -5.956
22 H GLN 4 H GLN 4 0.343 8.788 0.048
23 HA GLN 4 HA GLN 4 2.110 6.389 0.408
24 1HB GLN 4 1HB GLN 4 1.522 8.664 2.358
25 2HB GLN 4 2HB GLN 4 2.409 7.234 2.830
26 1HG GLN 4 1HG GLN 4 3.255 9.177 0.609
27 2HG GLN 4 2HG GLN 4 3.918 9.086 2.237
28 1HE2 GLN 4 2HE2 GLN 4 4.692 8.304 -0.810
29 2HE2 GLN 4 1HE2 GLN 4 5.787 6.871 -0.478
30 1HB1 DIV 5 1HB1 DIV 5 -0.855 4.398 3.796
31 2HB1 DIV 5 2HB1 DIV 5 -1.850 5.786 4.164
32 1HG1 DIV 5 1HG1 DIV 5 -3.011 2.966 3.659
33 2HG1 DIV 5 2HG1 DIV 5 -2.658 3.673 5.250
34 3HG1 DIV 5 3HG1 DIV 5 -3.907 4.395 4.217
35 1HB2 DIV 5 1HB2 DIV 5 -3.494 6.108 0.738
36 2HB2 DIV 5 2HB2 DIV 5 -4.160 5.126 2.025
37 3HB2 DIV 5 3HB2 DIV 5 -3.501 6.731 2.396
38 H DIV 5 H DIV 5 -1.196 7.150 1.343
39 H ILE 6 H ILE 6 -2.051 5.010 -0.594
40 HA ILE 6 HA ILE 6 -2.071 2.145 -0.822
41 HB ILE 6 HB ILE 6 -1.836 2.363 -3.258
42 1HG1 ILE 6 1HG1 ILE 6 -1.879 5.415 -2.887
43 2HG1 ILE 6 2HG1 ILE 6 -0.439 4.508 -3.298
44 1HG2 ILE 6 1HG2 ILE 6 -4.057 4.138 -2.072
45 2HG2 ILE 6 2HG2 ILE 6 -4.097 3.280 -3.628
46 3HG2 ILE 6 3HG2 ILE 6 -4.066 2.360 -2.119
47 1HD1 ILE 6 1HD1 ILE 6 -2.943 4.724 -5.071
48 2HD1 ILE 6 2HD1 ILE 6 -1.357 5.485 -5.327
49 3HD1 ILE 6 3HD1 ILE 6 -1.512 3.713 -5.440
50 H THR 7 H THR 7 0.739 4.319 -1.403
51 HA THR 7 HA THR 7 2.486 2.206 -2.307
52 HB THR 7 HB THR 7 3.320 4.864 -1.023
53 HG1 THR 7 HG1 THR 7 3.407 5.504 -3.173
54 1HG2 THR 7 1HG2 THR 7 5.381 4.668 -2.448
55 2HG2 THR 7 2HG2 THR 7 5.331 3.372 -1.236
56 3HG2 THR 7 3HG2 THR 7 4.910 3.017 -2.931
57 1HB1 AIB 8 1HB1 AIB 8 1.235 2.766 3.372
58 2HB1 AIB 8 2HB1 AIB 8 2.464 2.079 4.443
59 3HB1 AIB 8 3HB1 AIB 8 2.811 3.568 3.545
60 1HB2 AIB 8 1HB2 AIB 8 4.957 2.480 2.560
61 2HB2 AIB 8 2HB2 AIB 8 4.583 1.060 3.558
62 3HB2 AIB 8 3HB2 AIB 8 4.876 0.866 1.823
63 H AIB 8 H AIB 8 2.028 3.309 1.006
64 H LEU 9 H LEU 9 0.551 1.151 1.204
65 HA LEU 9 HA LEU 9 0.223 -1.580 2.344
66 1HB LEU 9 1HB LEU 9 -1.524 0.353 0.784
67 2HB LEU 9 2HB LEU 9 -1.858 -1.328 0.622
68 HG LEU 9 HG LEU 9 -3.192 -0.080 2.294
69 1HD1 LEU 9 1HD1 LEU 9 -1.787 -2.599 3.412
70 2HD1 LEU 9 2HD1 LEU 9 -3.405 -2.004 3.862
71 3HD1 LEU 9 3HD1 LEU 9 -3.110 -2.602 2.219
72 1HD2 LEU 9 1HD2 LEU 9 -1.416 1.223 3.521
73 2HD2 LEU 9 2HD2 LEU 9 -2.474 0.296 4.598
74 3HD2 LEU 9 3HD2 LEU 9 -0.826 -0.282 4.251
75 1HB1 AIB 10 1HB1 AIB 10 3.890 -0.907 -2.039
76 2HB1 AIB 10 2HB1 AIB 10 3.406 -1.700 -3.537
77 3HB1 AIB 10 3HB1 AIB 10 2.581 -0.221 -3.000
78 1HB2 AIB 10 1HB2 AIB 10 0.338 -1.203 -3.128
79 2HB2 AIB 10 2HB2 AIB 10 1.078 -2.677 -3.808
80 3HB2 AIB 10 3HB2 AIB 10 -0.030 -2.792 -2.425
81 H AIB 10 H AIB 10 1.736 -0.290 -0.518
82 HA HYP 11 HA HYP 11 4.322 -5.640 -1.008
83 1HB HYP 11 1HB HYP 11 5.566 -5.454 1.425
84 2HB HYP 11 2HB HYP 11 6.191 -4.664 -0.029
85 1HD HYP 11 1HD HYP 11 3.326 -2.124 0.827
86 2HD HYP 11 2HD HYP 11 4.647 -1.806 -0.299
87 HOD HYP 11 HOD HYP 11 6.851 -3.158 2.005
88 HG HYP 11 HG HYP 11 4.575 -3.418 2.245
89 H GLN 12 H GLN 12 1.972 -4.150 1.157
90 HA GLN 12 HA GLN 12 1.152 -6.736 2.303
91 1HB GLN 12 1HB GLN 12 0.240 -3.873 2.883
92 2HB GLN 12 2HB GLN 12 -0.475 -5.284 3.641
93 1HG GLN 12 1HG GLN 12 1.672 -5.921 4.713
94 2HG GLN 12 2HG GLN 12 2.511 -4.587 3.937
95 1HE2 GLN 12 2HE2 GLN 12 2.168 -2.460 4.731
96 2HE2 GLN 12 1HE2 GLN 12 1.285 -2.157 6.310
97 1HB1 AIB 13 1HB1 AIB 13 -0.114 -5.750 -3.005
98 2HB1 AIB 13 2HB1 AIB 13 -1.790 -6.087 -3.460
99 3HB1 AIB 13 3HB1 AIB 13 -1.366 -4.576 -2.633
100 1HB2 AIB 13 1HB2 AIB 13 -2.965 -4.817 -0.778
101 2HB2 AIB 13 2HB2 AIB 13 -3.597 -6.178 -1.731
102 3HB2 AIB 13 3HB2 AIB 13 -3.257 -6.392 -0.021
103 H AIB 13 H AIB 13 0.496 -5.437 -0.688
104 HA HYP 14 HA HYP 14 -0.697 -10.390 -2.639
105 1HB HYP 14 1HB HYP 14 1.916 -11.221 -2.225
106 2HB HYP 14 2HB HYP 14 1.395 -10.202 -3.579
107 1HD HYP 14 1HD HYP 14 1.499 -7.217 -1.122
108 2HD HYP 14 2HD HYP 14 1.239 -7.366 -2.866
109 HOD HYP 14 HOD HYP 14 3.012 -8.443 -3.567
110 HG HYP 14 HG HYP 14 2.558 -9.278 -0.878
111 1HB1 AIB 15 1HB1 AIB 15 0.647 -9.473 3.014
112 2HB1 AIB 15 2HB1 AIB 15 0.896 -10.959 3.948
113 3HB1 AIB 15 3HB1 AIB 15 2.089 -10.430 2.747
114 1HB2 AIB 15 1HB2 AIB 15 2.142 -12.488 1.419
115 2HB2 AIB 15 2HB2 AIB 15 1.147 -13.209 2.703
116 3HB2 AIB 15 3HB2 AIB 15 0.658 -13.372 1.008
117 H AIB 15 H AIB 15 0.964 -9.741 0.513
118 HA PRO 16 HA PRO 16 -3.840 -11.792 3.189
119 1HB PRO 16 1HB PRO 16 -5.359 -9.561 2.658
120 2HB PRO 16 2HB PRO 16 -4.236 -9.667 4.024
121 1HG PRO 16 1HG PRO 16 -3.781 -8.317 1.329
122 2HG PRO 16 2HG PRO 16 -3.404 -7.691 2.950
123 1HD PRO 16 1HD PRO 16 -1.546 -8.952 1.258
124 2HD PRO 16 2HD PRO 16 -1.364 -8.890 3.020
125 H1 PHL 17 H1 PHL 17 -3.172 -10.775 -2.662
126 H2 PHL 17 H2 PHL 17 -4.461 -11.698 -3.435
127 HO PHL 17 HO PHL 17 -3.893 -13.486 -2.176
128 HA PHL 17 HA PHL 17 -5.538 -12.118 -1.211
129 1HB PHL 17 1HB PHL 17 -5.142 -9.127 -1.900
130 2HB PHL 17 2HB PHL 17 -6.244 -10.216 -2.707
131 HD1 PHL 17 HD1 PHL 17 -8.083 -11.437 -1.202
132 HD2 PHL 17 HD2 PHL 17 -5.981 -7.881 0.012
133 HE1 PHL 17 HE1 PHL 17 -9.828 -10.962 0.466
134 HE2 PHL 17 HE2 PHL 17 -7.740 -7.421 1.669
135 HZ PHL 17 HZ PHL 17 -9.663 -8.956 1.902
136 H PHL 17 H PHL 17 -3.404 -10.209 -0.055
137 H1 ACE 1 H1 ACE 1 -2.298 12.253 1.950
138 H2 ACE 1 H2 ACE 1 -1.055 11.196 2.688
139 H3 ACE 1 H3 ACE 1 -0.930 11.634 0.970
Start of MODEL 19
1 H TRP 2 H TRP 2 -3.273 11.446 -0.921
2 HA TRP 2 HA TRP 2 -3.788 8.896 0.438
3 1HB TRP 2 1HB TRP 2 -5.549 8.459 -0.918
4 2HB TRP 2 2HB TRP 2 -5.593 10.184 -0.760
5 HD1 TRP 2 HD1 TRP 2 -4.310 11.532 -3.122
6 HE1 TRP 2 HE1 TRP 2 -4.767 11.048 -5.678
7 HE3 TRP 2 HE3 TRP 2 -6.183 6.818 -2.492
8 HZ2 TRP 2 HZ2 TRP 2 -5.847 8.795 -7.079
9 HZ3 TRP 2 HZ3 TRP 2 -6.934 5.557 -4.476
10 HH2 TRP 2 HH2 TRP 2 -6.773 6.529 -6.731
11 H ILE 3 H ILE 3 -1.717 9.764 -2.285
12 HA ILE 3 HA ILE 3 -0.912 7.068 -3.023
13 HB ILE 3 HB ILE 3 1.206 8.029 -3.897
14 1HG1 ILE 3 1HG1 ILE 3 0.201 10.834 -3.114
15 2HG1 ILE 3 2HG1 ILE 3 1.388 9.957 -2.168
16 1HG2 ILE 3 1HG2 ILE 3 -1.296 9.537 -4.859
17 2HG2 ILE 3 2HG2 ILE 3 0.193 9.236 -5.788
18 3HG2 ILE 3 3HG2 ILE 3 -0.836 7.875 -5.310
19 1HD1 ILE 3 1HD1 ILE 3 1.788 10.817 -5.101
20 2HD1 ILE 3 2HD1 ILE 3 2.563 11.507 -3.659
21 3HD1 ILE 3 3HD1 ILE 3 2.950 9.845 -4.159
22 H GLN 4 H GLN 4 -0.011 8.836 -0.176
23 HA GLN 4 HA GLN 4 2.230 7.009 0.546
24 1HB GLN 4 1HB GLN 4 0.805 9.244 2.077
25 2HB GLN 4 2HB GLN 4 1.934 8.177 2.893
26 1HG GLN 4 1HG GLN 4 3.764 8.736 1.353
27 2HG GLN 4 2HG GLN 4 2.694 9.694 0.336
28 1HE2 GLN 4 2HE2 GLN 4 4.549 11.210 0.801
29 2HE2 GLN 4 1HE2 GLN 4 4.367 12.308 2.259
30 1HB1 DIV 5 1HB1 DIV 5 -0.325 4.494 3.946
31 2HB1 DIV 5 2HB1 DIV 5 -1.349 5.817 4.435
32 1HG1 DIV 5 1HG1 DIV 5 -2.414 2.945 4.053
33 2HG1 DIV 5 2HG1 DIV 5 -1.901 3.668 5.593
34 3HG1 DIV 5 3HG1 DIV 5 -3.301 4.332 4.732
35 1HB2 DIV 5 1HB2 DIV 5 -3.356 6.086 1.198
36 2HB2 DIV 5 2HB2 DIV 5 -3.843 4.982 2.480
37 3HB2 DIV 5 3HB2 DIV 5 -3.283 6.614 2.890
38 H DIV 5 H DIV 5 -1.153 7.273 1.655
39 H ILE 6 H ILE 6 -1.829 5.154 -0.259
40 HA ILE 6 HA ILE 6 -2.046 2.347 -0.724
41 HB ILE 6 HB ILE 6 -1.413 4.568 -2.718
42 1HG1 ILE 6 1HG1 ILE 6 -3.594 4.972 -1.711
43 2HG1 ILE 6 2HG1 ILE 6 -3.774 4.522 -3.381
44 1HG2 ILE 6 1HG2 ILE 6 -2.276 1.691 -3.400
45 2HG2 ILE 6 2HG2 ILE 6 -2.210 3.051 -4.549
46 3HG2 ILE 6 3HG2 ILE 6 -0.725 2.464 -3.797
47 1HD1 ILE 6 1HD1 ILE 6 -4.369 2.718 -0.934
48 2HD1 ILE 6 2HD1 ILE 6 -5.553 3.501 -2.003
49 3HD1 ILE 6 3HD1 ILE 6 -4.534 2.183 -2.629
50 H THR 7 H THR 7 0.936 4.358 -1.313
51 HA THR 7 HA THR 7 2.572 2.125 -2.179
52 HB THR 7 HB THR 7 3.524 4.722 -0.850
53 HG1 THR 7 HG1 THR 7 3.772 5.342 -2.989
54 1HG2 THR 7 1HG2 THR 7 5.663 4.381 -2.108
55 2HG2 THR 7 2HG2 THR 7 5.432 3.076 -0.929
56 3HG2 THR 7 3HG2 THR 7 5.118 2.775 -2.655
57 1HB1 AIB 8 1HB1 AIB 8 1.095 2.825 3.347
58 2HB1 AIB 8 2HB1 AIB 8 2.175 2.089 4.539
59 3HB1 AIB 8 3HB1 AIB 8 2.694 3.531 3.650
60 1HB2 AIB 8 1HB2 AIB 8 4.831 2.363 2.811
61 2HB2 AIB 8 2HB2 AIB 8 4.361 0.969 3.805
62 3HB2 AIB 8 3HB2 AIB 8 4.741 0.742 2.091
63 H AIB 8 H AIB 8 2.060 3.279 1.088
64 H LEU 9 H LEU 9 0.484 1.136 1.236
65 HA LEU 9 HA LEU 9 0.008 -1.568 2.398
66 1HB LEU 9 1HB LEU 9 -1.617 0.345 0.652
67 2HB LEU 9 2HB LEU 9 -2.060 -1.326 0.709
68 HG LEU 9 HG LEU 9 -1.906 0.403 3.238
69 1HD1 LEU 9 1HD1 LEU 9 -4.361 -0.360 1.520
70 2HD1 LEU 9 2HD1 LEU 9 -4.405 0.521 3.069
71 3HD1 LEU 9 3HD1 LEU 9 -3.643 1.265 1.647
72 1HD2 LEU 9 1HD2 LEU 9 -1.726 -2.051 3.766
73 2HD2 LEU 9 2HD2 LEU 9 -3.309 -1.436 4.263
74 3HD2 LEU 9 3HD2 LEU 9 -3.160 -2.396 2.772
75 1HB1 AIB 10 1HB1 AIB 10 3.625 -0.863 -2.089
76 2HB1 AIB 10 2HB1 AIB 10 3.068 -1.629 -3.580
77 3HB1 AIB 10 3HB1 AIB 10 2.261 -0.169 -2.971
78 1HB2 AIB 10 1HB2 AIB 10 0.035 -1.176 -3.033
79 2HB2 AIB 10 2HB2 AIB 10 0.771 -2.623 -3.768
80 3HB2 AIB 10 3HB2 AIB 10 -0.287 -2.787 -2.353
81 H AIB 10 H AIB 10 1.590 -0.298 -0.447
82 HA HYP 11 HA HYP 11 4.127 -5.582 -1.061
83 1HB HYP 11 1HB HYP 11 5.421 -5.395 1.352
84 2HB HYP 11 2HB HYP 11 6.017 -4.606 -0.120
85 1HD HYP 11 1HD HYP 11 3.202 -2.018 0.766
86 2HD HYP 11 2HD HYP 11 4.508 -1.799 -0.402
87 HOD HYP 11 HOD HYP 11 6.652 -3.058 2.012
88 HG HYP 11 HG HYP 11 4.419 -3.366 2.177
89 H GLN 12 H GLN 12 1.795 -4.163 1.141
90 HA GLN 12 HA GLN 12 1.044 -6.802 2.233
91 1HB GLN 12 1HB GLN 12 0.170 -3.966 2.985
92 2HB GLN 12 2HB GLN 12 -0.576 -5.388 3.664
93 1HG GLN 12 1HG GLN 12 1.027 -5.737 5.212
94 2HG GLN 12 2HG GLN 12 2.307 -5.739 4.037
95 1HE2 GLN 12 2HE2 GLN 12 0.543 -3.722 6.281
96 2HE2 GLN 12 1HE2 GLN 12 1.709 -2.307 6.202
97 1HB1 AIB 13 1HB1 AIB 13 -0.225 -5.706 -2.992
98 2HB1 AIB 13 2HB1 AIB 13 -1.856 -6.191 -3.485
99 3HB1 AIB 13 3HB1 AIB 13 -1.580 -4.646 -2.651
100 1HB2 AIB 13 1HB2 AIB 13 -3.129 -4.948 -0.827
101 2HB2 AIB 13 2HB2 AIB 13 -3.695 -6.357 -1.756
102 3HB2 AIB 13 3HB2 AIB 13 -3.353 -6.520 -0.038
103 H AIB 13 H AIB 13 0.360 -5.447 -0.681
104 HA HYP 14 HA HYP 14 -0.677 -10.399 -2.715
105 1HB HYP 14 1HB HYP 14 1.975 -11.139 -2.399
106 2HB HYP 14 2HB HYP 14 1.376 -10.111 -3.709
107 1HD HYP 14 1HD HYP 14 1.436 -7.186 -1.170
108 2HD HYP 14 2HD HYP 14 1.143 -7.295 -2.912
109 HOD HYP 14 HOD HYP 14 2.927 -8.323 -3.720
110 HG HYP 14 HG HYP 14 2.597 -9.208 -1.025
111 1HB1 AIB 15 1HB1 AIB 15 0.860 -9.588 2.898
112 2HB1 AIB 15 2HB1 AIB 15 1.129 -11.090 3.802
113 3HB1 AIB 15 3HB1 AIB 15 2.299 -10.539 2.590
114 1HB2 AIB 15 1HB2 AIB 15 2.349 -12.525 1.200
115 2HB2 AIB 15 2HB2 AIB 15 1.401 -13.318 2.476
116 3HB2 AIB 15 3HB2 AIB 15 0.879 -13.429 0.787
117 H AIB 15 H AIB 15 1.101 -9.804 0.386
118 HA PRO 16 HA PRO 16 -3.575 -12.022 3.182
119 1HB PRO 16 1HB PRO 16 -5.173 -9.818 2.767
120 2HB PRO 16 2HB PRO 16 -4.010 -9.949 4.100
121 1HG PRO 16 1HG PRO 16 -3.669 -8.477 1.452
122 2HG PRO 16 2HG PRO 16 -3.246 -7.918 3.087
123 1HD PRO 16 1HD PRO 16 -1.422 -9.055 1.272
124 2HD PRO 16 2HD PRO 16 -1.175 -9.072 3.029
125 H1 PHL 17 H1 PHL 17 -3.279 -12.948 -1.721
126 H2 PHL 17 H2 PHL 17 -2.988 -11.424 -2.569
127 HO PHL 17 HO PHL 17 -4.743 -11.887 -3.894
128 HA PHL 17 HA PHL 17 -5.603 -12.133 -1.085
129 1HB PHL 17 1HB PHL 17 -4.663 -9.377 -2.125
130 2HB PHL 17 2HB PHL 17 -5.774 -10.413 -2.969
131 HD1 PHL 17 HD1 PHL 17 -5.521 -7.933 -0.303
132 HD2 PHL 17 HD2 PHL 17 -8.043 -11.020 -1.926
133 HE1 PHL 17 HE1 PHL 17 -7.462 -6.985 0.879
134 HE2 PHL 17 HE2 PHL 17 -9.968 -10.063 -0.731
135 HZ PHL 17 HZ PHL 17 -9.686 -8.045 0.669
136 H PHL 17 H PHL 17 -3.452 -10.225 0.001
137 H1 ACE 1 H1 ACE 1 -0.855 12.275 -0.619
138 H2 ACE 1 H2 ACE 1 -1.940 13.056 0.572
139 H3 ACE 1 H3 ACE 1 -0.437 12.246 1.108
Start of MODEL 20
1 H TRP 2 H TRP 2 -2.969 11.279 0.163
2 HA TRP 2 HA TRP 2 -4.201 8.604 0.206
3 1HB TRP 2 1HB TRP 2 -4.081 10.702 -2.037
4 2HB TRP 2 2HB TRP 2 -4.939 9.187 -2.179
5 HD1 TRP 2 HD1 TRP 2 -5.172 12.616 -0.354
6 HE1 TRP 2 HE1 TRP 2 -7.615 13.055 0.543
7 HE3 TRP 2 HE3 TRP 2 -6.993 7.954 -1.355
8 HZ2 TRP 2 HZ2 TRP 2 -9.957 11.421 0.710
9 HZ3 TRP 2 HZ3 TRP 2 -9.355 7.455 -0.824
10 HH2 TRP 2 HH2 TRP 2 -10.814 9.160 0.192
11 H ILE 3 H ILE 3 -1.549 10.070 -1.705
12 HA ILE 3 HA ILE 3 -0.773 7.550 -2.947
13 HB ILE 3 HB ILE 3 -0.297 9.713 -4.023
14 1HG1 ILE 3 1HG1 ILE 3 1.976 9.223 -4.935
15 2HG1 ILE 3 2HG1 ILE 3 2.230 7.989 -3.714
16 1HG2 ILE 3 1HG2 ILE 3 2.083 10.062 -2.115
17 2HG2 ILE 3 2HG2 ILE 3 1.597 11.137 -3.443
18 3HG2 ILE 3 3HG2 ILE 3 0.570 10.995 -2.003
19 1HD1 ILE 3 1HD1 ILE 3 -0.012 7.919 -5.857
20 2HD1 ILE 3 2HD1 ILE 3 1.544 7.057 -5.958
21 3HD1 ILE 3 3HD1 ILE 3 0.369 6.609 -4.704
22 H GLN 4 H GLN 4 0.222 8.946 0.088
23 HA GLN 4 HA GLN 4 2.268 6.857 0.661
24 1HB GLN 4 1HB GLN 4 0.853 8.726 2.656
25 2HB GLN 4 2HB GLN 4 2.035 7.517 3.091
26 1HG GLN 4 1HG GLN 4 3.507 9.182 2.960
27 2HG GLN 4 2HG GLN 4 3.631 8.685 1.290
28 1HE2 GLN 4 2HE2 GLN 4 3.062 10.265 -0.262
29 2HE2 GLN 4 1HE2 GLN 4 2.375 11.908 0.165
30 1HB1 DIV 5 1HB1 DIV 5 -0.580 4.359 3.729
31 2HB1 DIV 5 2HB1 DIV 5 -1.613 5.685 4.195
32 1HG1 DIV 5 1HG1 DIV 5 -2.640 2.811 3.725
33 2HG1 DIV 5 2HG1 DIV 5 -2.266 3.555 5.293
34 3HG1 DIV 5 3HG1 DIV 5 -3.601 4.189 4.312
35 1HB2 DIV 5 1HB2 DIV 5 -3.423 6.119 0.891
36 2HB2 DIV 5 2HB2 DIV 5 -4.024 4.976 2.093
37 3HB2 DIV 5 3HB2 DIV 5 -3.423 6.565 2.607
38 H DIV 5 H DIV 5 -1.182 7.180 1.506
39 H ILE 6 H ILE 6 -1.989 5.068 -0.567
40 HA ILE 6 HA ILE 6 -2.067 2.237 -0.930
41 HB ILE 6 HB ILE 6 -3.080 3.799 -2.467
42 1HG1 ILE 6 1HG1 ILE 6 -2.829 1.389 -3.005
43 2HG1 ILE 6 2HG1 ILE 6 -3.114 2.470 -4.345
44 1HG2 ILE 6 1HG2 ILE 6 -0.343 4.319 -3.749
45 2HG2 ILE 6 2HG2 ILE 6 -1.928 4.860 -4.359
46 3HG2 ILE 6 3HG2 ILE 6 -1.313 5.470 -2.811
47 1HD1 ILE 6 1HD1 ILE 6 -0.356 1.208 -3.735
48 2HD1 ILE 6 2HD1 ILE 6 -1.513 0.684 -4.972
49 3HD1 ILE 6 3HD1 ILE 6 -0.736 2.275 -5.109
50 H THR 7 H THR 7 0.836 4.350 -1.364
51 HA THR 7 HA THR 7 2.621 2.257 -2.246
52 HB THR 7 HB THR 7 3.308 4.828 -0.710
53 HG1 THR 7 HG1 THR 7 3.617 5.610 -2.768
54 1HG2 THR 7 1HG2 THR 7 5.536 4.724 -1.860
55 2HG2 THR 7 2HG2 THR 7 5.343 3.353 -0.744
56 3HG2 THR 7 3HG2 THR 7 5.149 3.107 -2.502
57 1HB1 AIB 8 1HB1 AIB 8 0.965 2.691 3.277
58 2HB1 AIB 8 2HB1 AIB 8 2.023 1.905 4.460
59 3HB1 AIB 8 3HB1 AIB 8 2.558 3.384 3.640
60 1HB2 AIB 8 1HB2 AIB 8 4.712 2.252 2.804
61 2HB2 AIB 8 2HB2 AIB 8 4.226 0.814 3.722
62 3HB2 AIB 8 3HB2 AIB 8 4.642 0.665 2.008
63 H AIB 8 H AIB 8 1.942 3.206 1.056
64 H LEU 9 H LEU 9 0.405 1.078 1.088
65 HA LEU 9 HA LEU 9 -0.103 -1.651 2.165
66 1HB LEU 9 1HB LEU 9 -1.656 0.277 0.366
67 2HB LEU 9 2HB LEU 9 -2.094 -1.395 0.386
68 HG LEU 9 HG LEU 9 -2.032 0.299 2.946
69 1HD1 LEU 9 1HD1 LEU 9 -4.443 -0.400 1.140
70 2HD1 LEU 9 2HD1 LEU 9 -4.518 0.446 2.707
71 3HD1 LEU 9 3HD1 LEU 9 -3.711 1.213 1.325
72 1HD2 LEU 9 1HD2 LEU 9 -1.894 -2.171 3.427
73 2HD2 LEU 9 2HD2 LEU 9 -3.484 -1.544 3.888
74 3HD2 LEU 9 3HD2 LEU 9 -3.300 -2.477 2.382
75 1HB1 AIB 10 1HB1 AIB 10 3.698 -0.861 -2.158
76 2HB1 AIB 10 2HB1 AIB 10 3.232 -1.658 -3.661
77 3HB1 AIB 10 3HB1 AIB 10 2.360 -0.212 -3.106
78 1HB2 AIB 10 1HB2 AIB 10 0.173 -1.289 -3.276
79 2HB2 AIB 10 2HB2 AIB 10 0.974 -2.736 -3.939
80 3HB2 AIB 10 3HB2 AIB 10 -0.147 -2.889 -2.576
81 H AIB 10 H AIB 10 1.604 -0.347 -0.592
82 HA HYP 11 HA HYP 11 4.296 -5.546 -1.029
83 1HB HYP 11 1HB HYP 11 5.475 -5.267 1.434
84 2HB HYP 11 2HB HYP 11 6.115 -4.475 -0.019
85 1HD HYP 11 1HD HYP 11 3.206 -1.944 0.653
86 2HD HYP 11 2HD HYP 11 4.565 -1.766 -0.457
87 HOD HYP 11 HOD HYP 11 6.605 -2.922 2.089
88 HG HYP 11 HG HYP 11 4.328 -3.280 2.164
89 H GLN 12 H GLN 12 1.836 -4.128 1.030
90 HA GLN 12 HA GLN 12 1.114 -6.718 2.246
91 1HB GLN 12 1HB GLN 12 0.177 -3.868 2.861
92 2HB GLN 12 2HB GLN 12 -0.523 -5.290 3.610
93 1HG GLN 12 1HG GLN 12 1.618 -5.920 4.676
94 2HG GLN 12 2HG GLN 12 2.460 -4.603 3.864
95 1HE2 GLN 12 2HE2 GLN 12 3.059 -3.496 5.706
96 2HE2 GLN 12 1HE2 GLN 12 1.859 -2.732 6.868
97 1HB1 AIB 13 1HB1 AIB 13 -0.166 -5.830 -3.053
98 2HB1 AIB 13 2HB1 AIB 13 -1.819 -6.271 -3.511
99 3HB1 AIB 13 3HB1 AIB 13 -1.485 -4.717 -2.722
100 1HB2 AIB 13 1HB2 AIB 13 -3.070 -4.980 -0.867
101 2HB2 AIB 13 2HB2 AIB 13 -3.631 -6.392 -1.792
102 3HB2 AIB 13 3HB2 AIB 13 -3.295 -6.551 -0.074
103 H AIB 13 H AIB 13 0.422 -5.444 -0.736
104 HA HYP 14 HA HYP 14 -0.578 -10.483 -2.576
105 1HB HYP 14 1HB HYP 14 2.065 -11.209 -2.170
106 2HB HYP 14 2HB HYP 14 1.498 -10.220 -3.524
107 1HD HYP 14 1HD HYP 14 1.494 -7.209 -1.115
108 2HD HYP 14 2HD HYP 14 1.240 -7.403 -2.856
109 HOD HYP 14 HOD HYP 14 3.060 -8.426 -3.541
110 HG HYP 14 HG HYP 14 2.637 -9.227 -0.837
111 1HB1 AIB 15 1HB1 AIB 15 0.759 -9.471 3.065
112 2HB1 AIB 15 2HB1 AIB 15 0.998 -10.946 4.019
113 3HB1 AIB 15 3HB1 AIB 15 2.205 -10.430 2.827
114 1HB2 AIB 15 1HB2 AIB 15 2.295 -12.470 1.523
115 2HB2 AIB 15 2HB2 AIB 15 1.294 -13.208 2.790
116 3HB2 AIB 15 3HB2 AIB 15 0.838 -13.383 1.089
117 H AIB 15 H AIB 15 1.011 -9.722 0.586
118 HA PRO 16 HA PRO 16 -3.690 -11.849 3.304
119 1HB PRO 16 1HB PRO 16 -5.254 -9.646 2.764
120 2HB PRO 16 2HB PRO 16 -4.138 -9.745 4.137
121 1HG PRO 16 1HG PRO 16 -3.703 -8.354 1.461
122 2HG PRO 16 2HG PRO 16 -3.314 -7.757 3.091
123 1HD PRO 16 1HD PRO 16 -1.471 -8.976 1.339
124 2HD PRO 16 2HD PRO 16 -1.253 -8.921 3.097
125 H1 PHL 17 H1 PHL 17 -2.866 -11.279 -2.357
126 H2 PHL 17 H2 PHL 17 -4.137 -12.206 -3.155
127 HO PHL 17 HO PHL 17 -3.938 -13.696 -1.318
128 HA PHL 17 HA PHL 17 -5.526 -12.150 -1.043
129 1HB PHL 17 1HB PHL 17 -4.741 -9.369 -2.128
130 2HB PHL 17 2HB PHL 17 -5.829 -10.488 -2.903
131 HD1 PHL 17 HD1 PHL 17 -8.081 -11.077 -1.833
132 HD2 PHL 17 HD2 PHL 17 -5.564 -7.957 -0.262
133 HE1 PHL 17 HE1 PHL 17 -9.985 -10.162 -0.573
134 HE2 PHL 17 HE2 PHL 17 -7.483 -7.057 0.990
135 HZ PHL 17 HZ PHL 17 -9.693 -8.156 0.839
136 H PHL 17 H PHL 17 -3.465 -10.150 0.084
137 H1 ACE 1 H1 ACE 1 -1.997 11.993 2.385
138 H2 ACE 1 H2 ACE 1 -0.828 10.759 2.948
139 H3 ACE 1 H3 ACE 1 -0.691 11.412 1.301
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