Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
6119 | 1ih9 RC | 4993 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 1 H1 ACE 1 -13.576 -2.423 -1.275
2 2H ACE 1 H2 ACE 1 -12.258 -3.435 -1.921
3 3H ACE 1 H3 ACE 1 -12.473 -3.283 -0.160
4 H TRP 2 H TRP 2 -12.910 -0.566 0.037
5 HA TRP 2 HA TRP 2 -10.567 0.974 -1.008
6 1HB TRP 2 1HB TRP 2 -12.761 2.050 -0.492
7 2HB TRP 2 2HB TRP 2 -12.588 1.675 1.207
8 HD1 TRP 2 HD1 TRP 2 -11.115 4.042 -1.562
9 HE1 TRP 2 HE1 TRP 2 -9.908 6.129 -0.479
10 HE3 TRP 2 HE3 TRP 2 -11.420 2.436 3.272
11 HZ2 TRP 2 HZ2 TRP 2 -9.239 6.817 2.219
12 HZ3 TRP 2 HZ3 TRP 2 -10.485 3.852 5.067
13 HH2 TRP 2 HH2 TRP 2 -9.406 6.004 4.549
14 H ILE 3 H ILE 3 -11.348 -0.566 2.126
15 HA ILE 3 HA ILE 3 -8.613 -0.134 3.225
16 HB ILE 3 HB ILE 3 -9.109 -1.925 4.916
17 1HG1 ILE 3 1HG1 ILE 3 -12.080 -1.889 4.163
18 2HG1 ILE 3 2HG1 ILE 3 -11.027 -3.026 3.358
19 1HG2 ILE 3 1HG2 ILE 3 -11.132 0.386 4.892
20 2HG2 ILE 3 2HG2 ILE 3 -10.631 -0.564 6.312
21 3HG2 ILE 3 3HG2 ILE 3 -9.449 0.455 5.468
22 1HD1 ILE 3 1HD1 ILE 3 -11.343 -2.920 6.424
23 2HD1 ILE 3 2HD1 ILE 3 -12.103 -4.090 5.317
24 3HD1 ILE 3 3HD1 ILE 3 -10.334 -4.074 5.507
25 H GLN 4 H GLN 4 -9.978 -2.714 1.253
26 HA GLN 4 HA GLN 4 -7.593 -4.435 1.378
27 1HB GLN 4 1HB GLN 4 -10.113 -4.849 0.335
28 2HB GLN 4 2HB GLN 4 -9.333 -4.362 -1.141
29 1HG GLN 4 1HG GLN 4 -9.238 -6.750 -1.040
30 2HG GLN 4 2HG GLN 4 -7.589 -6.212 -0.762
31 1HE2 GLN 4 1HE2 GLN 4 -7.974 -8.821 1.784
32 2HE2 GLN 4 2HE2 GLN 4 -7.605 -8.539 0.010
33 2HN DIV 5 HN DIV 5 -8.416 -1.682 -0.715
34 1HB1 DIV 5 1HB1 DIV 5 -5.333 -1.496 -3.485
35 2HB1 DIV 5 2HB1 DIV 5 -5.606 -2.971 -2.671
36 1HG1 DIV 5 1HG1 DIV 5 -7.563 -1.668 -4.659
37 2HG1 DIV 5 2HG1 DIV 5 -6.603 -3.143 -4.876
38 3HG1 DIV 5 3HG1 DIV 5 -7.944 -3.124 -3.700
39 1HB2 DIV 5 1HB2 DIV 5 -7.894 0.609 -1.538
40 2HB2 DIV 5 2HB2 DIV 5 -6.917 0.644 -3.017
41 3HB2 DIV 5 3HB2 DIV 5 -8.371 -0.369 -2.922
42 H ILE 6 H ILE 6 -6.679 0.185 0.377
43 HA ILE 6 HA ILE 6 -3.885 1.158 0.439
44 HB ILE 6 HB ILE 6 -5.989 1.213 2.662
45 1HG1 ILE 6 1HG1 ILE 6 -5.017 3.531 0.853
46 2HG1 ILE 6 2HG1 ILE 6 -6.442 2.589 0.487
47 1HG2 ILE 6 1HG2 ILE 6 -3.245 2.654 2.589
48 2HG2 ILE 6 2HG2 ILE 6 -4.539 3.001 3.763
49 3HG2 ILE 6 3HG2 ILE 6 -3.775 1.419 3.757
50 1HD1 ILE 6 1HD1 ILE 6 -6.164 4.338 2.999
51 2HD1 ILE 6 2HD1 ILE 6 -7.129 4.660 1.550
52 3HD1 ILE 6 3HD1 ILE 6 -7.562 3.301 2.611
53 H THR 7 H THR 7 -5.318 -1.825 1.662
54 HA THR 7 HA THR 7 -2.929 -2.618 3.214
55 HB THR 7 HB THR 7 -5.257 -4.319 2.214
56 HG1 THR 7 HG1 THR 7 -5.576 -2.651 3.793
57 1HG2 THR 7 1HG2 THR 7 -4.562 -5.982 3.980
58 2HG2 THR 7 2HG2 THR 7 -3.394 -5.899 2.642
59 3HG2 THR 7 3HG2 THR 7 -3.022 -5.110 4.201
60 2HN AIB 8 HN AIB 8 -3.943 -3.411 -0.131
61 1HB1 AIB 8 1HB1 AIB 8 -3.352 -3.063 -2.594
62 2HB1 AIB 8 2HB1 AIB 8 -2.283 -4.294 -3.277
63 3HB1 AIB 8 3HB1 AIB 8 -3.701 -4.784 -2.327
64 1HB2 AIB 8 1HB2 AIB 8 -2.184 -6.208 -0.789
65 2HB2 AIB 8 2HB2 AIB 8 -0.778 -5.725 -1.766
66 3HB2 AIB 8 3HB2 AIB 8 -0.761 -5.481 -0.016
67 H LEU 9 H LEU 9 -2.200 -1.483 -0.870
68 HA LEU 9 HA LEU 9 0.486 -0.695 -2.010
69 1HB LEU 9 1HB LEU 9 -1.999 0.858 -1.156
70 2HB LEU 9 2HB LEU 9 -0.518 1.670 -1.569
71 HG LEU 9 HG LEU 9 -1.690 -0.346 -3.559
72 1HD1 LEU 9 1HD1 LEU 9 -2.575 2.593 -3.372
73 2HD1 LEU 9 2HD1 LEU 9 -2.927 1.470 -4.712
74 3HD1 LEU 9 3HD1 LEU 9 -3.590 1.153 -3.102
75 1HD2 LEU 9 1HD2 LEU 9 0.651 0.521 -3.967
76 2HD2 LEU 9 2HD2 LEU 9 -0.470 1.033 -5.242
77 3HD2 LEU 9 3HD2 LEU 9 0.030 2.185 -3.974
78 2HN AIB 10 HN AIB 10 -0.575 -1.408 1.175
79 1HB1 AIB 10 1HB1 AIB 10 -0.041 -2.406 3.386
80 2HB1 AIB 10 2HB1 AIB 10 0.726 -1.380 4.608
81 3HB1 AIB 10 3HB1 AIB 10 -0.802 -0.891 3.858
82 1HB2 AIB 10 1HB2 AIB 10 -0.083 1.306 3.028
83 2HB2 AIB 10 2HB2 AIB 10 1.393 1.042 3.989
84 3HB2 AIB 10 3HB2 AIB 10 1.512 1.548 2.300
85 HA HYP 11 HA HYP 11 4.834 -2.632 2.329
86 1HB HYP 11 1HB HYP 11 4.714 -4.771 0.574
87 2HB HYP 11 2HB HYP 11 4.278 -4.855 2.282
88 1HD HYP 11 1HD HYP 11 0.909 -3.245 1.208
89 2HD HYP 11 2HD HYP 11 1.500 -3.921 2.763
90 HOD HYP 11 HD1 HYP 11 1.296 -5.822 1.787
91 HG HYP 11 HG HYP 11 2.400 -4.480 -0.107
92 H GLN 12 H GLN 12 3.033 -1.116 -0.194
93 HA GLN 12 HA GLN 12 5.543 -0.756 -1.842
94 1HB GLN 12 1HB GLN 12 2.693 0.127 -2.620
95 2HB GLN 12 2HB GLN 12 4.143 0.226 -3.596
96 1HG GLN 12 1HG GLN 12 4.280 -2.361 -3.500
97 2HG GLN 12 2HG GLN 12 2.708 -2.322 -2.694
98 1HE2 GLN 12 1HE2 GLN 12 1.084 -2.183 -5.911
99 2HE2 GLN 12 2HE2 GLN 12 1.082 -2.720 -4.147
100 2HN AIB 13 HN AIB 13 4.476 0.598 0.795
101 1HB1 AIB 13 1HB1 AIB 13 4.411 1.957 2.729
102 2HB1 AIB 13 2HB1 AIB 13 5.459 3.380 2.917
103 3HB1 AIB 13 3HB1 AIB 13 3.937 3.460 2.006
104 1HB2 AIB 13 1HB2 AIB 13 4.552 4.096 -0.197
105 2HB2 AIB 13 2HB2 AIB 13 6.011 4.644 0.676
106 3HB2 AIB 13 3HB2 AIB 13 6.171 3.745 -0.830
107 HA HYP 14 HA HYP 14 9.434 1.180 2.418
108 1HB HYP 14 1HB HYP 14 9.302 -1.601 3.014
109 2HB HYP 14 2HB HYP 14 9.151 -0.241 4.140
110 1HD HYP 14 1HD HYP 14 5.792 -0.479 1.915
111 2HD HYP 14 2HD HYP 14 5.835 0.618 3.285
112 HOD HYP 14 HD1 HYP 14 7.105 -0.087 5.088
113 HG HYP 14 HG HYP 14 7.034 -2.038 3.029
114 2HN AIB 15 HN AIB 15 7.821 -0.959 -0.030
115 1HB1 AIB 15 1HB1 AIB 15 7.516 -1.867 -2.351
116 2HB1 AIB 15 2HB1 AIB 15 8.791 -2.918 -2.981
117 3HB1 AIB 15 3HB1 AIB 15 7.988 -3.297 -1.440
118 1HB2 AIB 15 1HB2 AIB 15 10.090 -3.424 -0.095
119 2HB2 AIB 15 2HB2 AIB 15 10.926 -3.289 -1.668
120 3HB2 AIB 15 3HB2 AIB 15 11.383 -2.231 -0.328
121 HA PRO 16 HA PRO 16 10.937 1.352 -4.023
122 1HB PRO 16 1HB PRO 16 9.432 3.688 -3.880
123 2HB PRO 16 2HB PRO 16 9.053 2.331 -4.947
124 1HG PRO 16 1HG PRO 16 7.789 3.066 -2.307
125 2HG PRO 16 2HG PRO 16 7.017 2.369 -3.742
126 1HD PRO 16 1HD PRO 16 7.851 0.970 -1.401
127 2HD PRO 16 2HD PRO 16 7.433 0.157 -2.892
128 H1 PHL 17 H1 PHL 17 11.251 2.314 1.773
129 H2 PHL 17 H2 PHL 17 12.524 3.523 1.944
130 HO PHL 17 HO PHL 17 13.390 1.489 1.761
131 HA PHL 17 HA PHL 17 12.485 3.971 -0.500
132 2HN PHL 17 2HN PHL 17 10.006 2.120 -0.730
133 1HB PHL 17 1HB PHL 17 9.764 4.247 0.873
134 2HB PHL 17 2HB PHL 17 11.118 5.348 1.066
135 HD1 PHL 17 HD1 PHL 17 8.045 5.141 -0.496
136 HD2 PHL 17 HD2 PHL 17 12.103 6.140 -1.503
137 HE1 PHL 17 HE1 PHL 17 7.253 6.435 -2.429
138 HE2 PHL 17 HE2 PHL 17 11.295 7.438 -3.429
139 HZ PHL 17 HZ PHL 17 8.873 7.599 -3.892
Start of MODEL 2
1 1H ACE 1 H1 ACE 1 -13.910 -1.824 -1.236
2 2H ACE 1 H2 ACE 1 -12.860 -2.919 -2.169
3 3H ACE 1 H3 ACE 1 -12.985 -3.102 -0.402
4 H TRP 2 H TRP 2 -12.950 -0.134 -0.084
5 HA TRP 2 HA TRP 2 -10.242 0.788 -0.937
6 1HB TRP 2 1HB TRP 2 -12.277 2.070 0.974
7 2HB TRP 2 2HB TRP 2 -10.684 2.739 0.732
8 HD1 TRP 2 HD1 TRP 2 -14.080 3.041 -0.736
9 HE1 TRP 2 HE1 TRP 2 -14.088 4.463 -2.962
10 HE3 TRP 2 HE3 TRP 2 -9.033 2.898 -1.536
11 HZ2 TRP 2 HZ2 TRP 2 -12.014 5.355 -4.721
12 HZ3 TRP 2 HZ3 TRP 2 -8.103 4.066 -3.506
13 HH2 TRP 2 HH2 TRP 2 -9.568 5.273 -5.073
14 H ILE 3 H ILE 3 -11.312 -0.959 1.925
15 HA ILE 3 HA ILE 3 -8.752 -0.365 3.345
16 HB ILE 3 HB ILE 3 -10.740 -2.556 4.199
17 1HG1 ILE 3 1HG1 ILE 3 -11.295 -0.752 6.115
18 2HG1 ILE 3 2HG1 ILE 3 -10.776 0.431 4.938
19 1HG2 ILE 3 1HG2 ILE 3 -8.541 -1.137 5.835
20 2HG2 ILE 3 2HG2 ILE 3 -9.673 -2.371 6.446
21 3HG2 ILE 3 3HG2 ILE 3 -8.476 -2.808 5.226
22 1HD1 ILE 3 1HD1 ILE 3 -13.053 -1.651 4.563
23 2HD1 ILE 3 2HD1 ILE 3 -13.269 0.060 4.994
24 3HD1 ILE 3 3HD1 ILE 3 -12.649 -0.371 3.388
25 H GLN 4 H GLN 4 -9.962 -3.191 1.513
26 HA GLN 4 HA GLN 4 -7.398 -4.633 1.614
27 1HB GLN 4 1HB GLN 4 -8.061 -5.905 -0.312
28 2HB GLN 4 2HB GLN 4 -9.300 -5.885 0.908
29 1HG GLN 4 1HG GLN 4 -10.686 -4.304 -0.443
30 2HG GLN 4 2HG GLN 4 -9.428 -4.199 -1.672
31 1HE2 GLN 4 1HE2 GLN 4 -12.027 -6.786 -2.703
32 2HE2 GLN 4 2HE2 GLN 4 -12.096 -5.044 -2.132
33 2HN DIV 5 HN DIV 5 -8.512 -2.078 -0.542
34 1HB1 DIV 5 1HB1 DIV 5 -5.479 -1.678 -3.344
35 2HB1 DIV 5 2HB1 DIV 5 -5.637 -3.141 -2.484
36 1HG1 DIV 5 1HG1 DIV 5 -7.755 -2.023 -4.426
37 2HG1 DIV 5 2HG1 DIV 5 -6.677 -3.415 -4.657
38 3HG1 DIV 5 3HG1 DIV 5 -7.971 -3.487 -3.431
39 1HB2 DIV 5 1HB2 DIV 5 -8.065 0.341 -1.355
40 2HB2 DIV 5 2HB2 DIV 5 -7.151 0.385 -2.868
41 3HB2 DIV 5 3HB2 DIV 5 -8.554 -0.686 -2.700
42 H ILE 6 H ILE 6 -6.784 0.102 0.455
43 HA ILE 6 HA ILE 6 -4.042 1.185 0.467
44 HB ILE 6 HB ILE 6 -6.170 1.135 2.667
45 1HG1 ILE 6 1HG1 ILE 6 -6.987 2.446 0.782
46 2HG1 ILE 6 2HG1 ILE 6 -6.637 3.490 2.131
47 1HG2 ILE 6 1HG2 ILE 6 -3.560 2.772 2.688
48 2HG2 ILE 6 2HG2 ILE 6 -4.946 3.052 3.772
49 3HG2 ILE 6 3HG2 ILE 6 -4.061 1.523 3.849
50 1HD1 ILE 6 1HD1 ILE 6 -4.902 3.197 -0.418
51 2HD1 ILE 6 2HD1 ILE 6 -5.959 4.559 0.011
52 3HD1 ILE 6 3HD1 ILE 6 -4.488 4.255 0.961
53 H THR 7 H THR 7 -5.265 -1.832 1.743
54 HA THR 7 HA THR 7 -2.839 -2.402 3.383
55 HB THR 7 HB THR 7 -5.126 -4.253 2.557
56 HG1 THR 7 HG1 THR 7 -5.346 -2.363 4.022
57 1HG2 THR 7 1HG2 THR 7 -4.353 -5.730 4.444
58 2HG2 THR 7 2HG2 THR 7 -3.147 -5.672 3.141
59 3HG2 THR 7 3HG2 THR 7 -2.888 -4.739 4.639
60 2HN AIB 8 HN AIB 8 -3.865 -3.304 0.073
61 1HB1 AIB 8 1HB1 AIB 8 -3.314 -3.115 -2.400
62 2HB1 AIB 8 2HB1 AIB 8 -2.232 -4.368 -3.026
63 3HB1 AIB 8 3HB1 AIB 8 -3.652 -4.826 -2.056
64 1HB2 AIB 8 1HB2 AIB 8 -2.114 -6.177 -0.476
65 2HB2 AIB 8 2HB2 AIB 8 -0.736 -5.716 -1.499
66 3HB2 AIB 8 3HB2 AIB 8 -0.679 -5.415 0.242
67 H LEU 9 H LEU 9 -2.198 -1.474 -0.716
68 HA LEU 9 HA LEU 9 0.455 -0.639 -1.878
69 1HB LEU 9 1HB LEU 9 -2.018 0.877 -0.919
70 2HB LEU 9 2HB LEU 9 -0.566 1.709 -1.404
71 HG LEU 9 HG LEU 9 -1.805 -0.323 -3.344
72 1HD1 LEU 9 1HD1 LEU 9 -2.735 2.602 -3.121
73 2HD1 LEU 9 2HD1 LEU 9 -3.173 1.436 -4.399
74 3HD1 LEU 9 3HD1 LEU 9 -3.698 1.156 -2.731
75 1HD2 LEU 9 1HD2 LEU 9 0.492 0.612 -3.869
76 2HD2 LEU 9 2HD2 LEU 9 -0.714 1.091 -5.079
77 3HD2 LEU 9 3HD2 LEU 9 -0.177 2.258 -3.843
78 2HN AIB 10 HN AIB 10 -0.562 -1.361 1.337
79 1HB1 AIB 10 1HB1 AIB 10 0.069 -2.386 3.553
80 2HB1 AIB 10 2HB1 AIB 10 0.802 -1.314 4.748
81 3HB1 AIB 10 3HB1 AIB 10 -0.742 -0.888 3.987
82 1HB2 AIB 10 1HB2 AIB 10 -0.028 1.329 3.201
83 2HB2 AIB 10 2HB2 AIB 10 1.488 1.072 4.104
84 3HB2 AIB 10 3HB2 AIB 10 1.539 1.590 2.414
85 HA HYP 11 HA HYP 11 4.894 -2.573 2.370
86 1HB HYP 11 1HB HYP 11 4.771 -4.735 0.656
87 2HB HYP 11 2HB HYP 11 4.331 -4.795 2.371
88 1HD HYP 11 1HD HYP 11 0.952 -3.217 1.298
89 2HD HYP 11 2HD HYP 11 1.564 -3.889 2.849
90 HOD HYP 11 HD1 HYP 11 1.412 -5.786 1.957
91 HG HYP 11 HG HYP 11 2.450 -4.443 -0.025
92 H GLN 12 H GLN 12 3.033 -1.079 -0.128
93 HA GLN 12 HA GLN 12 5.503 -0.725 -1.835
94 1HB GLN 12 1HB GLN 12 2.642 0.189 -2.530
95 2HB GLN 12 2HB GLN 12 4.066 0.277 -3.552
96 1HG GLN 12 1HG GLN 12 4.181 -2.314 -3.461
97 2HG GLN 12 2HG GLN 12 2.628 -2.259 -2.628
98 1HE2 GLN 12 1HE2 GLN 12 0.962 -2.109 -5.833
99 2HE2 GLN 12 2HE2 GLN 12 0.960 -2.627 -4.071
100 2HN AIB 13 HN AIB 13 4.527 0.629 0.843
101 1HB1 AIB 13 1HB1 AIB 13 4.550 1.978 2.807
102 2HB1 AIB 13 2HB1 AIB 13 5.573 3.425 2.934
103 3HB1 AIB 13 3HB1 AIB 13 4.008 3.460 2.090
104 1HB2 AIB 13 1HB2 AIB 13 4.536 4.123 -0.119
105 2HB2 AIB 13 2HB2 AIB 13 6.024 4.687 0.702
106 3HB2 AIB 13 3HB2 AIB 13 6.135 3.803 -0.821
107 HA HYP 14 HA HYP 14 9.545 1.228 2.273
108 1HB HYP 14 1HB HYP 14 9.457 -1.552 2.883
109 2HB HYP 14 2HB HYP 14 9.341 -0.186 4.004
110 1HD HYP 14 1HD HYP 14 5.896 -0.461 1.922
111 2HD HYP 14 2HD HYP 14 5.975 0.633 3.282
112 HOD HYP 14 HD1 HYP 14 7.380 -0.029 5.037
113 HG HYP 14 HG HYP 14 7.187 -2.007 3.010
114 2HN AIB 15 HN AIB 15 7.842 -0.939 -0.097
115 1HB1 AIB 15 1HB1 AIB 15 7.433 -1.813 -2.413
116 2HB1 AIB 15 2HB1 AIB 15 8.671 -2.877 -3.095
117 3HB1 AIB 15 3HB1 AIB 15 7.937 -3.244 -1.518
118 1HB2 AIB 15 1HB2 AIB 15 10.124 -3.380 -0.277
119 2HB2 AIB 15 2HB2 AIB 15 10.865 -3.248 -1.894
120 3HB2 AIB 15 3HB2 AIB 15 11.397 -2.184 -0.588
121 HA PRO 16 HA PRO 16 10.815 1.412 -4.190
122 1HB PRO 16 1HB PRO 16 9.352 3.767 -3.932
123 2HB PRO 16 2HB PRO 16 8.924 2.442 -5.023
124 1HG PRO 16 1HG PRO 16 7.733 3.138 -2.347
125 2HG PRO 16 2HG PRO 16 6.932 2.447 -3.768
126 1HD PRO 16 1HD PRO 16 7.853 1.043 -1.448
127 2HD PRO 16 2HD PRO 16 7.343 0.237 -2.912
128 H1 PHL 17 H1 PHL 17 12.805 1.951 0.697
129 H2 PHL 17 H2 PHL 17 11.355 2.346 1.617
130 HO PHL 17 HO PHL 17 13.627 3.113 2.229
131 HA PHL 17 HA PHL 17 12.483 4.000 -0.702
132 2HN PHL 17 2HN PHL 17 9.994 2.163 -0.861
133 1HB PHL 17 1HB PHL 17 9.814 4.271 0.775
134 2HB PHL 17 2HB PHL 17 11.175 5.370 0.924
135 HD1 PHL 17 HD1 PHL 17 12.071 6.105 -1.712
136 HD2 PHL 17 HD2 PHL 17 8.045 5.245 -0.476
137 HE1 PHL 17 HE1 PHL 17 11.202 7.399 -3.616
138 HE2 PHL 17 HE2 PHL 17 7.190 6.546 -2.378
139 HZ PHL 17 HZ PHL 17 8.763 7.627 -3.952
Start of MODEL 3
1 1H ACE 1 H1 ACE 1 -13.576 -1.686 -2.124
2 2H ACE 1 H2 ACE 1 -12.393 -2.955 -2.524
3 3H ACE 1 H3 ACE 1 -13.087 -2.880 -0.886
4 H TRP 2 H TRP 2 -12.913 -0.252 -0.283
5 HA TRP 2 HA TRP 2 -10.272 0.959 -0.893
6 1HB TRP 2 1HB TRP 2 -12.349 1.837 1.198
7 2HB TRP 2 2HB TRP 2 -10.875 2.703 0.849
8 HD1 TRP 2 HD1 TRP 2 -14.340 1.954 -0.739
9 HE1 TRP 2 HE1 TRP 2 -14.858 3.626 -2.716
10 HE3 TRP 2 HE3 TRP 2 -9.697 4.084 -0.929
11 HZ2 TRP 2 HZ2 TRP 2 -13.304 5.629 -4.041
12 HZ3 TRP 2 HZ3 TRP 2 -9.282 5.894 -2.563
13 HH2 TRP 2 HH2 TRP 2 -11.054 6.651 -4.093
14 H ILE 3 H ILE 3 -11.377 -0.938 1.955
15 HA ILE 3 HA ILE 3 -8.820 -0.387 3.361
16 HB ILE 3 HB ILE 3 -10.803 -2.567 4.205
17 1HG1 ILE 3 1HG1 ILE 3 -11.250 -0.578 6.100
18 2HG1 ILE 3 2HG1 ILE 3 -10.913 0.443 4.726
19 1HG2 ILE 3 1HG2 ILE 3 -8.608 -1.155 5.843
20 2HG2 ILE 3 2HG2 ILE 3 -9.778 -2.347 6.466
21 3HG2 ILE 3 3HG2 ILE 3 -8.577 -2.840 5.268
22 1HD1 ILE 3 1HD1 ILE 3 -13.091 -1.756 4.923
23 2HD1 ILE 3 2HD1 ILE 3 -13.354 0.001 4.974
24 3HD1 ILE 3 3HD1 ILE 3 -12.819 -0.770 3.461
25 H GLN 4 H GLN 4 -9.991 -3.184 1.483
26 HA GLN 4 HA GLN 4 -7.465 -4.696 1.621
27 1HB GLN 4 1HB GLN 4 -8.141 -5.884 -0.381
28 2HB GLN 4 2HB GLN 4 -9.383 -5.865 0.841
29 1HG GLN 4 1HG GLN 4 -10.702 -4.154 -0.465
30 2HG GLN 4 2HG GLN 4 -9.443 -4.096 -1.687
31 1HE2 GLN 4 1HE2 GLN 4 -12.131 -7.144 -1.907
32 2HE2 GLN 4 2HE2 GLN 4 -12.251 -5.769 -0.697
33 2HN DIV 5 HN DIV 5 -8.437 -2.058 -0.531
34 1HB1 DIV 5 1HB1 DIV 5 -5.291 -1.713 -3.214
35 2HB1 DIV 5 2HB1 DIV 5 -5.501 -3.176 -2.355
36 1HG1 DIV 5 1HG1 DIV 5 -7.508 -2.027 -4.390
37 2HG1 DIV 5 2HG1 DIV 5 -6.480 -3.464 -4.544
38 3HG1 DIV 5 3HG1 DIV 5 -7.831 -3.465 -3.381
39 1HB2 DIV 5 1HB2 DIV 5 -7.940 0.327 -1.323
40 2HB2 DIV 5 2HB2 DIV 5 -6.879 0.419 -2.738
41 3HB2 DIV 5 3HB2 DIV 5 -8.301 -0.635 -2.752
42 H ILE 6 H ILE 6 -6.712 0.021 0.590
43 HA ILE 6 HA ILE 6 -3.968 1.083 0.714
44 HB ILE 6 HB ILE 6 -6.127 0.961 2.873
45 1HG1 ILE 6 1HG1 ILE 6 -6.910 2.342 1.015
46 2HG1 ILE 6 2HG1 ILE 6 -6.605 3.320 2.420
47 1HG2 ILE 6 1HG2 ILE 6 -3.521 2.589 3.001
48 2HG2 ILE 6 2HG2 ILE 6 -4.927 2.829 4.068
49 3HG2 ILE 6 3HG2 ILE 6 -4.050 1.295 4.103
50 1HD1 ILE 6 1HD1 ILE 6 -4.775 3.165 -0.073
51 2HD1 ILE 6 2HD1 ILE 6 -5.876 4.489 0.364
52 3HD1 ILE 6 3HD1 ILE 6 -4.443 4.170 1.364
53 H THR 7 H THR 7 -5.266 -1.963 1.916
54 HA THR 7 HA THR 7 -2.853 -2.626 3.518
55 HB THR 7 HB THR 7 -5.108 -4.451 2.566
56 HG1 THR 7 HG1 THR 7 -5.250 -2.553 4.146
57 1HG2 THR 7 1HG2 THR 7 -4.405 -5.962 4.452
58 2HG2 THR 7 2HG2 THR 7 -3.155 -5.887 3.192
59 3HG2 THR 7 3HG2 THR 7 -2.940 -4.981 4.711
60 2HN AIB 8 HN AIB 8 -3.833 -3.505 0.187
61 1HB1 AIB 8 1HB1 AIB 8 -3.245 -3.261 -2.306
62 2HB1 AIB 8 2HB1 AIB 8 -2.152 -4.508 -2.922
63 3HB1 AIB 8 3HB1 AIB 8 -3.570 -4.975 -1.958
64 1HB2 AIB 8 1HB2 AIB 8 -1.990 -6.310 -0.392
65 2HB2 AIB 8 2HB2 AIB 8 -0.618 -5.804 -1.402
66 3HB2 AIB 8 3HB2 AIB 8 -0.579 -5.515 0.342
67 H LEU 9 H LEU 9 -2.205 -1.606 -0.592
68 HA LEU 9 HA LEU 9 0.403 -0.695 -1.773
69 1HB LEU 9 1HB LEU 9 -2.071 0.756 -0.725
70 2HB LEU 9 2HB LEU 9 -0.650 1.623 -1.235
71 HG LEU 9 HG LEU 9 -1.983 -0.373 -3.154
72 1HD1 LEU 9 1HD1 LEU 9 -2.734 2.602 -2.923
73 2HD1 LEU 9 2HD1 LEU 9 -3.293 1.451 -4.168
74 3HD1 LEU 9 3HD1 LEU 9 -3.777 1.227 -2.478
75 1HD2 LEU 9 1HD2 LEU 9 0.342 0.453 -3.749
76 2HD2 LEU 9 2HD2 LEU 9 -0.877 0.993 -4.920
77 3HD2 LEU 9 3HD2 LEU 9 -0.249 2.127 -3.695
78 2HN AIB 10 HN AIB 10 -0.545 -1.458 1.469
79 1HB1 AIB 10 1HB1 AIB 10 0.165 -2.515 3.643
80 2HB1 AIB 10 2HB1 AIB 10 0.918 -1.454 4.834
81 3HB1 AIB 10 3HB1 AIB 10 -0.650 -1.034 4.124
82 1HB2 AIB 10 1HB2 AIB 10 0.011 1.204 3.338
83 2HB2 AIB 10 2HB2 AIB 10 1.549 0.959 4.201
84 3HB2 AIB 10 3HB2 AIB 10 1.555 1.489 2.517
85 HA HYP 11 HA HYP 11 4.966 -2.613 2.335
86 1HB HYP 11 1HB HYP 11 4.808 -4.748 0.572
87 2HB HYP 11 2HB HYP 11 4.473 -4.846 2.305
88 1HD HYP 11 1HD HYP 11 1.000 -3.324 1.429
89 2HD HYP 11 2HD HYP 11 1.707 -3.980 2.943
90 HOD HYP 11 HD1 HYP 11 1.400 -5.931 1.762
91 HG HYP 11 HG HYP 11 2.452 -4.525 0.027
92 H GLN 12 H GLN 12 3.022 -1.112 -0.095
93 HA GLN 12 HA GLN 12 5.453 -0.699 -1.843
94 1HB GLN 12 1HB GLN 12 2.562 0.157 -2.482
95 2HB GLN 12 2HB GLN 12 3.967 0.289 -3.519
96 1HG GLN 12 1HG GLN 12 4.146 -2.291 -3.475
97 2HG GLN 12 2HG GLN 12 2.614 -2.295 -2.596
98 1HE2 GLN 12 1HE2 GLN 12 0.856 -2.148 -5.747
99 2HE2 GLN 12 2HE2 GLN 12 0.906 -2.671 -3.981
100 2HN AIB 13 HN AIB 13 4.528 0.599 0.856
101 1HB1 AIB 13 1HB1 AIB 13 4.540 1.935 2.819
102 2HB1 AIB 13 2HB1 AIB 13 5.557 3.388 2.960
103 3HB1 AIB 13 3HB1 AIB 13 3.982 3.429 2.135
104 1HB2 AIB 13 1HB2 AIB 13 4.465 4.110 -0.084
105 2HB2 AIB 13 2HB2 AIB 13 5.954 4.685 0.719
106 3HB2 AIB 13 3HB2 AIB 13 6.058 3.810 -0.811
107 HA HYP 14 HA HYP 14 9.545 1.256 2.207
108 1HB HYP 14 1HB HYP 14 9.497 -1.528 2.799
109 2HB HYP 14 2HB HYP 14 9.366 -0.177 3.938
110 1HD HYP 14 1HD HYP 14 5.891 -0.460 1.902
111 2HD HYP 14 2HD HYP 14 6.010 0.616 3.280
112 HOD HYP 14 HD1 HYP 14 7.383 -0.097 4.996
113 HG HYP 14 HG HYP 14 7.239 -2.015 2.909
114 2HN AIB 15 HN AIB 15 7.828 -0.907 -0.151
115 1HB1 AIB 15 1HB1 AIB 15 7.393 -1.786 -2.456
116 2HB1 AIB 15 2HB1 AIB 15 8.643 -2.809 -3.177
117 3HB1 AIB 15 3HB1 AIB 15 7.947 -3.219 -1.594
118 1HB2 AIB 15 1HB2 AIB 15 10.143 -3.319 -0.383
119 2HB2 AIB 15 2HB2 AIB 15 10.858 -3.160 -2.011
120 3HB2 AIB 15 3HB2 AIB 15 11.391 -2.099 -0.702
121 HA PRO 16 HA PRO 16 10.660 1.518 -4.291
122 1HB PRO 16 1HB PRO 16 9.147 3.833 -4.003
123 2HB PRO 16 2HB PRO 16 8.711 2.493 -5.071
124 1HG PRO 16 1HG PRO 16 7.617 3.166 -2.342
125 2HG PRO 16 2HG PRO 16 6.760 2.488 -3.737
126 1HD PRO 16 1HD PRO 16 7.751 1.053 -1.483
127 2HD PRO 16 2HD PRO 16 7.249 0.262 -2.956
128 H1 PHL 17 H1 PHL 17 12.650 1.947 0.562
129 H2 PHL 17 H2 PHL 17 11.306 2.507 1.566
130 HO PHL 17 HO PHL 17 13.709 3.922 1.022
131 HA PHL 17 HA PHL 17 12.395 4.086 -0.831
132 2HN PHL 17 2HN PHL 17 9.920 2.231 -0.937
133 1HB PHL 17 1HB PHL 17 9.775 4.313 0.740
134 2HB PHL 17 2HB PHL 17 11.124 5.433 0.843
135 HD1 PHL 17 HD1 PHL 17 11.866 6.195 -1.870
136 HD2 PHL 17 HD2 PHL 17 7.941 5.290 -0.370
137 HE1 PHL 17 HE1 PHL 17 10.857 7.538 -3.671
138 HE2 PHL 17 HE2 PHL 17 6.947 6.625 -2.177
139 HZ PHL 17 HZ PHL 17 8.400 7.762 -3.823
Start of MODEL 4
1 1H ACE 1 H1 ACE 1 -13.640 -2.348 -1.329
2 2H ACE 1 H2 ACE 1 -12.405 -3.449 -1.988
3 3H ACE 1 H3 ACE 1 -12.581 -3.269 -0.222
4 H TRP 2 H TRP 2 -12.869 -0.523 -0.090
5 HA TRP 2 HA TRP 2 -10.443 0.787 -1.263
6 1HB TRP 2 1HB TRP 2 -12.849 1.862 -0.740
7 2HB TRP 2 2HB TRP 2 -12.216 2.095 0.869
8 HD1 TRP 2 HD1 TRP 2 -11.481 2.983 -2.886
9 HE1 TRP 2 HE1 TRP 2 -10.417 5.387 -3.118
10 HE3 TRP 2 HE3 TRP 2 -10.895 3.829 2.113
11 HZ2 TRP 2 HZ2 TRP 2 -9.512 7.313 -1.207
12 HZ3 TRP 2 HZ3 TRP 2 -9.972 6.001 2.855
13 HH2 TRP 2 HH2 TRP 2 -9.292 7.712 1.223
14 H ILE 3 H ILE 3 -11.308 -0.526 1.912
15 HA ILE 3 HA ILE 3 -8.589 0.013 3.022
16 HB ILE 3 HB ILE 3 -10.488 -0.181 4.597
17 1HG1 ILE 3 1HG1 ILE 3 -8.444 -2.428 5.091
18 2HG1 ILE 3 2HG1 ILE 3 -8.122 -0.720 5.304
19 1HG2 ILE 3 1HG2 ILE 3 -10.716 -3.180 3.871
20 2HG2 ILE 3 2HG2 ILE 3 -11.636 -2.324 5.131
21 3HG2 ILE 3 3HG2 ILE 3 -11.890 -1.924 3.428
22 1HD1 ILE 3 1HD1 ILE 3 -10.160 -2.350 6.947
23 2HD1 ILE 3 2HD1 ILE 3 -8.573 -1.756 7.475
24 3HD1 ILE 3 3HD1 ILE 3 -9.877 -0.595 7.129
25 H GLN 4 H GLN 4 -10.000 -2.596 1.093
26 HA GLN 4 HA GLN 4 -7.659 -4.379 1.348
27 1HB GLN 4 1HB GLN 4 -10.175 -4.644 0.086
28 2HB GLN 4 2HB GLN 4 -9.125 -4.501 -1.297
29 1HG GLN 4 1HG GLN 4 -7.716 -6.418 -0.445
30 2HG GLN 4 2HG GLN 4 -8.660 -6.483 1.032
31 1HE2 GLN 4 1HE2 GLN 4 -10.045 -8.696 -1.983
32 2HE2 GLN 4 2HE2 GLN 4 -8.394 -7.896 -1.972
33 2HN DIV 5 HN DIV 5 -8.399 -1.676 -0.853
34 1HB1 DIV 5 1HB1 DIV 5 -5.056 -1.370 -3.295
35 2HB1 DIV 5 2HB1 DIV 5 -5.470 -2.882 -2.617
36 1HG1 DIV 5 1HG1 DIV 5 -7.173 -1.375 -4.700
37 2HG1 DIV 5 2HG1 DIV 5 -6.203 -2.836 -4.945
38 3HG1 DIV 5 3HG1 DIV 5 -7.661 -2.904 -3.919
39 1HB2 DIV 5 1HB2 DIV 5 -7.779 0.672 -1.481
40 2HB2 DIV 5 2HB2 DIV 5 -6.686 0.780 -2.862
41 3HB2 DIV 5 3HB2 DIV 5 -8.154 -0.211 -2.951
42 H ILE 6 H ILE 6 -6.765 0.107 0.513
43 HA ILE 6 HA ILE 6 -4.034 1.091 0.815
44 HB ILE 6 HB ILE 6 -6.386 1.868 1.978
45 1HG1 ILE 6 1HG1 ILE 6 -3.613 2.493 3.150
46 2HG1 ILE 6 2HG1 ILE 6 -4.220 3.147 1.640
47 1HG2 ILE 6 1HG2 ILE 6 -4.970 0.667 4.422
48 2HG2 ILE 6 2HG2 ILE 6 -6.494 1.586 4.370
49 3HG2 ILE 6 3HG2 ILE 6 -6.411 -0.037 3.673
50 1HD1 ILE 6 1HD1 ILE 6 -5.410 3.745 4.410
51 2HD1 ILE 6 2HD1 ILE 6 -4.523 4.843 3.331
52 3HD1 ILE 6 3HD1 ILE 6 -6.143 4.271 2.868
53 H THR 7 H THR 7 -5.281 -2.000 1.692
54 HA THR 7 HA THR 7 -2.931 -2.748 3.369
55 HB THR 7 HB THR 7 -5.232 -4.456 2.302
56 HG1 THR 7 HG1 THR 7 -5.524 -2.730 3.893
57 1HG2 THR 7 1HG2 THR 7 -4.582 -6.116 4.087
58 2HG2 THR 7 2HG2 THR 7 -3.366 -6.012 2.799
59 3HG2 THR 7 3HG2 THR 7 -3.067 -5.227 4.372
60 2HN AIB 8 HN AIB 8 -3.907 -3.519 0.006
61 1HB1 AIB 8 1HB1 AIB 8 -3.305 -3.224 -2.476
62 2HB1 AIB 8 2HB1 AIB 8 -2.236 -4.481 -3.115
63 3HB1 AIB 8 3HB1 AIB 8 -3.663 -4.937 -2.158
64 1HB2 AIB 8 1HB2 AIB 8 -2.121 -6.324 -0.618
65 2HB2 AIB 8 2HB2 AIB 8 -0.723 -5.833 -1.597
66 3HB2 AIB 8 3HB2 AIB 8 -0.706 -5.573 0.151
67 H LEU 9 H LEU 9 -2.214 -1.614 -0.715
68 HA LEU 9 HA LEU 9 0.459 -0.766 -1.853
69 1HB LEU 9 1HB LEU 9 -2.041 0.764 -0.988
70 2HB LEU 9 2HB LEU 9 -0.570 1.584 -1.411
71 HG LEU 9 HG LEU 9 -1.721 -0.431 -3.410
72 1HD1 LEU 9 1HD1 LEU 9 -2.667 2.488 -3.192
73 2HD1 LEU 9 2HD1 LEU 9 -3.012 1.365 -4.531
74 3HD1 LEU 9 3HD1 LEU 9 -3.650 1.030 -2.918
75 1HD2 LEU 9 1HD2 LEU 9 0.596 0.511 -3.818
76 2HD2 LEU 9 2HD2 LEU 9 -0.547 1.001 -5.083
77 3HD2 LEU 9 3HD2 LEU 9 -0.076 2.155 -3.808
78 2HN AIB 10 HN AIB 10 -0.605 -1.512 1.334
79 1HB1 AIB 10 1HB1 AIB 10 0.053 -2.590 3.505
80 2HB1 AIB 10 2HB1 AIB 10 0.823 -1.571 4.724
81 3HB1 AIB 10 3HB1 AIB 10 -0.742 -1.114 4.034
82 1HB2 AIB 10 1HB2 AIB 10 -0.088 1.133 3.272
83 2HB2 AIB 10 2HB2 AIB 10 1.433 0.869 4.155
84 3HB2 AIB 10 3HB2 AIB 10 1.468 1.433 2.483
85 HA HYP 11 HA HYP 11 4.874 -2.682 2.295
86 1HB HYP 11 1HB HYP 11 4.756 -4.782 0.492
87 2HB HYP 11 2HB HYP 11 4.359 -4.910 2.208
88 1HD HYP 11 1HD HYP 11 0.932 -3.340 1.240
89 2HD HYP 11 2HD HYP 11 1.573 -4.043 2.762
90 HOD HYP 11 HD1 HYP 11 1.376 -5.921 1.738
91 HG HYP 11 HG HYP 11 2.424 -4.519 -0.134
92 H GLN 12 H GLN 12 2.996 -1.158 -0.168
93 HA GLN 12 HA GLN 12 5.468 -0.725 -1.851
94 1HB GLN 12 1HB GLN 12 2.587 0.114 -2.554
95 2HB GLN 12 2HB GLN 12 4.007 0.268 -3.566
96 1HG GLN 12 1HG GLN 12 4.205 -2.320 -3.518
97 2HG GLN 12 2HG GLN 12 2.649 -2.330 -2.683
98 1HE2 GLN 12 1HE2 GLN 12 0.944 -2.119 -5.861
99 2HE2 GLN 12 2HE2 GLN 12 0.970 -2.677 -4.108
100 2HN AIB 13 HN AIB 13 4.477 0.551 0.832
101 1HB1 AIB 13 1HB1 AIB 13 4.432 1.881 2.804
102 2HB1 AIB 13 2HB1 AIB 13 5.434 3.336 2.971
103 3HB1 AIB 13 3HB1 AIB 13 3.883 3.370 2.112
104 1HB2 AIB 13 1HB2 AIB 13 4.428 4.075 -0.086
105 2HB2 AIB 13 2HB2 AIB 13 5.906 4.635 0.749
106 3HB2 AIB 13 3HB2 AIB 13 6.031 3.768 -0.783
107 HA HYP 14 HA HYP 14 9.446 1.219 2.330
108 1HB HYP 14 1HB HYP 14 9.407 -1.555 2.909
109 2HB HYP 14 2HB HYP 14 9.222 -0.211 4.048
110 1HD HYP 14 1HD HYP 14 5.816 -0.512 1.903
111 2HD HYP 14 2HD HYP 14 5.893 0.557 3.288
112 HOD HYP 14 HD1 HYP 14 7.202 -0.171 5.040
113 HG HYP 14 HG HYP 14 7.152 -2.065 2.926
114 2HN AIB 15 HN AIB 15 7.816 -0.937 -0.083
115 1HB1 AIB 15 1HB1 AIB 15 7.453 -1.797 -2.406
116 2HB1 AIB 15 2HB1 AIB 15 8.722 -2.807 -3.105
117 3HB1 AIB 15 3HB1 AIB 15 7.985 -3.234 -1.544
118 1HB2 AIB 15 1HB2 AIB 15 10.130 -3.345 -0.277
119 2HB2 AIB 15 2HB2 AIB 15 10.913 -3.162 -1.872
120 3HB2 AIB 15 3HB2 AIB 15 11.393 -2.124 -0.526
121 HA PRO 16 HA PRO 16 10.775 1.531 -4.113
122 1HB PRO 16 1HB PRO 16 9.210 3.822 -3.898
123 2HB PRO 16 2HB PRO 16 8.852 2.473 -4.982
124 1HG PRO 16 1HG PRO 16 7.604 3.132 -2.317
125 2HG PRO 16 2HG PRO 16 6.839 2.421 -3.749
126 1HD PRO 16 1HD PRO 16 7.766 1.039 -1.426
127 2HD PRO 16 2HD PRO 16 7.326 0.226 -2.911
128 H1 PHL 17 H1 PHL 17 11.181 2.389 1.699
129 H2 PHL 17 H2 PHL 17 12.499 3.541 1.853
130 HO PHL 17 HO PHL 17 12.488 1.276 0.144
131 HA PHL 17 HA PHL 17 12.384 4.079 -0.567
132 2HN PHL 17 2HN PHL 17 9.917 2.206 -0.781
133 1HB PHL 17 1HB PHL 17 9.694 4.298 0.878
134 2HB PHL 17 2HB PHL 17 11.043 5.410 1.059
135 HD1 PHL 17 HD1 PHL 17 11.928 6.355 -1.455
136 HD2 PHL 17 HD2 PHL 17 7.934 5.102 -0.491
137 HE1 PHL 17 HE1 PHL 17 11.045 7.706 -3.316
138 HE2 PHL 17 HE2 PHL 17 7.066 6.449 -2.354
139 HZ PHL 17 HZ PHL 17 8.614 7.770 -3.757
Start of MODEL 5
1 1H ACE 1 H1 ACE 1 -13.664 -2.529 -1.020
2 2H ACE 1 H2 ACE 1 -12.354 -3.500 -1.738
3 3H ACE 1 H3 ACE 1 -12.528 -3.421 0.035
4 H TRP 2 H TRP 2 -12.965 -0.720 0.369
5 HA TRP 2 HA TRP 2 -10.742 0.905 -0.817
6 1HB TRP 2 1HB TRP 2 -12.454 1.625 1.633
7 2HB TRP 2 2HB TRP 2 -11.318 2.682 0.832
8 HD1 TRP 2 HD1 TRP 2 -11.912 3.163 -2.002
9 HE1 TRP 2 HE1 TRP 2 -14.226 3.907 -3.034
10 HE3 TRP 2 HE3 TRP 2 -14.824 1.438 1.819
11 HZ2 TRP 2 HZ2 TRP 2 -16.928 3.730 -2.103
12 HZ3 TRP 2 HZ3 TRP 2 -17.265 1.794 1.718
13 HH2 TRP 2 HH2 TRP 2 -18.303 2.924 -0.210
14 H ILE 3 H ILE 3 -11.216 -0.742 2.348
15 HA ILE 3 HA ILE 3 -8.422 -0.081 3.180
16 HB ILE 3 HB ILE 3 -10.218 -2.160 4.541
17 1HG1 ILE 3 1HG1 ILE 3 -10.145 0.122 6.293
18 2HG1 ILE 3 2HG1 ILE 3 -10.399 0.840 4.722
19 1HG2 ILE 3 1HG2 ILE 3 -7.730 -0.720 5.622
20 2HG2 ILE 3 2HG2 ILE 3 -8.793 -1.793 6.569
21 3HG2 ILE 3 3HG2 ILE 3 -7.872 -2.450 5.214
22 1HD1 ILE 3 1HD1 ILE 3 -12.119 -1.411 5.985
23 2HD1 ILE 3 2HD1 ILE 3 -12.563 0.310 5.866
24 3HD1 ILE 3 3HD1 ILE 3 -12.434 -0.679 4.384
25 H GLN 4 H GLN 4 -9.924 -2.826 1.469
26 HA GLN 4 HA GLN 4 -7.523 -4.548 1.464
27 1HB GLN 4 1HB GLN 4 -9.793 -4.269 -0.587
28 2HB GLN 4 2HB GLN 4 -8.454 -5.361 -0.841
29 1HG GLN 4 1HG GLN 4 -10.382 -5.536 1.556
30 2HG GLN 4 2HG GLN 4 -10.498 -6.465 0.074
31 1HE2 GLN 4 1HE2 GLN 4 -8.082 -7.965 2.916
32 2HE2 GLN 4 2HE2 GLN 4 -9.317 -6.630 3.166
33 2HN DIV 5 HN DIV 5 -8.426 -1.785 -0.688
34 1HB1 DIV 5 1HB1 DIV 5 -5.245 -1.524 -3.329
35 2HB1 DIV 5 2HB1 DIV 5 -5.485 -3.013 -2.506
36 1HG1 DIV 5 1HG1 DIV 5 -7.417 -1.817 -4.579
37 2HG1 DIV 5 2HG1 DIV 5 -6.365 -3.237 -4.750
38 3HG1 DIV 5 3HG1 DIV 5 -7.751 -3.299 -3.635
39 1HB2 DIV 5 1HB2 DIV 5 -7.933 0.486 -1.466
40 2HB2 DIV 5 2HB2 DIV 5 -6.898 0.557 -2.903
41 3HB2 DIV 5 3HB2 DIV 5 -8.330 -0.492 -2.878
42 H ILE 6 H ILE 6 -6.787 0.012 0.543
43 HA ILE 6 HA ILE 6 -4.068 1.095 0.646
44 HB ILE 6 HB ILE 6 -6.408 1.852 1.896
45 1HG1 ILE 6 1HG1 ILE 6 -3.581 2.617 2.840
46 2HG1 ILE 6 2HG1 ILE 6 -4.328 3.196 1.363
47 1HG2 ILE 6 1HG2 ILE 6 -4.822 0.839 4.312
48 2HG2 ILE 6 2HG2 ILE 6 -6.400 1.664 4.278
49 3HG2 ILE 6 3HG2 ILE 6 -6.242 0.012 3.657
50 1HD1 ILE 6 1HD1 ILE 6 -5.351 3.826 4.194
51 2HD1 ILE 6 2HD1 ILE 6 -4.534 4.926 3.063
52 3HD1 ILE 6 3HD1 ILE 6 -6.166 4.325 2.686
53 H THR 7 H THR 7 -5.189 -1.990 1.565
54 HA THR 7 HA THR 7 -2.843 -2.617 3.321
55 HB THR 7 HB THR 7 -5.200 -4.346 2.406
56 HG1 THR 7 HG1 THR 7 -5.495 -2.653 3.934
57 1HG2 THR 7 1HG2 THR 7 -4.507 -5.994 4.164
58 2HG2 THR 7 2HG2 THR 7 -3.331 -5.932 2.838
59 3HG2 THR 7 3HG2 THR 7 -2.965 -5.133 4.390
60 2HN AIB 8 HN AIB 8 -3.869 -3.501 0.001
61 1HB1 AIB 8 1HB1 AIB 8 -3.286 -3.235 -2.480
62 2HB1 AIB 8 2HB1 AIB 8 -2.224 -4.496 -3.121
63 3HB1 AIB 8 3HB1 AIB 8 -3.644 -4.944 -2.149
64 1HB2 AIB 8 1HB2 AIB 8 -2.103 -6.320 -0.592
65 2HB2 AIB 8 2HB2 AIB 8 -0.700 -5.852 -1.583
66 3HB2 AIB 8 3HB2 AIB 8 -0.682 -5.568 0.161
67 H LEU 9 H LEU 9 -2.188 -1.607 -0.807
68 HA LEU 9 HA LEU 9 0.497 -0.805 -1.937
69 1HB LEU 9 1HB LEU 9 -2.039 0.724 -1.199
70 2HB LEU 9 2HB LEU 9 -0.567 1.551 -1.611
71 HG LEU 9 HG LEU 9 -1.568 -0.583 -3.553
72 1HD1 LEU 9 1HD1 LEU 9 -2.746 2.256 -3.468
73 2HD1 LEU 9 2HD1 LEU 9 -2.954 1.070 -4.783
74 3HD1 LEU 9 3HD1 LEU 9 -3.614 0.727 -3.178
75 1HD2 LEU 9 1HD2 LEU 9 0.687 0.511 -3.935
76 2HD2 LEU 9 2HD2 LEU 9 -0.449 0.871 -5.254
77 3HD2 LEU 9 3HD2 LEU 9 -0.106 2.102 -4.010
78 2HN AIB 10 HN AIB 10 -0.589 -1.458 1.253
79 1HB1 AIB 10 1HB1 AIB 10 -0.032 -2.388 3.475
80 2HB1 AIB 10 2HB1 AIB 10 0.762 -1.349 4.668
81 3HB1 AIB 10 3HB1 AIB 10 -0.791 -0.876 3.964
82 1HB2 AIB 10 1HB2 AIB 10 -0.143 1.312 3.076
83 2HB2 AIB 10 2HB2 AIB 10 1.359 1.093 4.009
84 3HB2 AIB 10 3HB2 AIB 10 1.433 1.577 2.311
85 HA HYP 11 HA HYP 11 4.829 -2.563 2.399
86 1HB HYP 11 1HB HYP 11 4.753 -4.751 0.725
87 2HB HYP 11 2HB HYP 11 4.239 -4.794 2.415
88 1HD HYP 11 1HD HYP 11 0.917 -3.217 1.239
89 2HD HYP 11 2HD HYP 11 1.497 -3.892 2.801
90 HOD HYP 11 HD1 HYP 11 1.732 -5.799 2.244
91 HG HYP 11 HG HYP 11 2.470 -4.412 -0.058
92 H GLN 12 H GLN 12 3.020 -1.127 -0.177
93 HA GLN 12 HA GLN 12 5.524 -0.802 -1.835
94 1HB GLN 12 1HB GLN 12 2.670 0.056 -2.621
95 2HB GLN 12 2HB GLN 12 4.111 0.138 -3.611
96 1HG GLN 12 1HG GLN 12 4.260 -2.445 -3.455
97 2HG GLN 12 2HG GLN 12 2.693 -2.396 -2.643
98 1HE2 GLN 12 1HE2 GLN 12 1.059 -2.351 -5.861
99 2HE2 GLN 12 2HE2 GLN 12 1.056 -2.826 -4.083
100 2HN AIB 13 HN AIB 13 4.450 0.618 0.767
101 1HB1 AIB 13 1HB1 AIB 13 4.402 2.013 2.682
102 2HB1 AIB 13 2HB1 AIB 13 5.440 3.448 2.828
103 3HB1 AIB 13 3HB1 AIB 13 3.905 3.493 1.934
104 1HB2 AIB 13 1HB2 AIB 13 4.480 4.096 -0.271
105 2HB2 AIB 13 2HB2 AIB 13 5.952 4.671 0.560
106 3HB2 AIB 13 3HB2 AIB 13 6.086 3.751 -0.939
107 HA HYP 14 HA HYP 14 9.428 1.284 2.329
108 1HB HYP 14 1HB HYP 14 9.334 -1.490 2.993
109 2HB HYP 14 2HB HYP 14 9.205 -0.103 4.080
110 1HD HYP 14 1HD HYP 14 5.799 -0.437 1.921
111 2HD HYP 14 2HD HYP 14 5.846 0.703 3.250
112 HOD HYP 14 HD1 HYP 14 7.201 0.095 5.055
113 HG HYP 14 HG HYP 14 7.070 -1.941 3.085
114 2HN AIB 15 HN AIB 15 7.832 -0.945 -0.049
115 1HB1 AIB 15 1HB1 AIB 15 7.506 -1.866 -2.346
116 2HB1 AIB 15 2HB1 AIB 15 8.770 -2.929 -2.975
117 3HB1 AIB 15 3HB1 AIB 15 7.988 -3.278 -1.416
118 1HB2 AIB 15 1HB2 AIB 15 10.117 -3.378 -0.099
119 2HB2 AIB 15 2HB2 AIB 15 10.934 -3.262 -1.686
120 3HB2 AIB 15 3HB2 AIB 15 11.401 -2.181 -0.367
121 HA PRO 16 HA PRO 16 10.958 1.361 -4.042
122 1HB PRO 16 1HB PRO 16 9.421 3.679 -3.939
123 2HB PRO 16 2HB PRO 16 9.083 2.309 -5.003
124 1HG PRO 16 1HG PRO 16 7.732 3.059 -2.412
125 2HG PRO 16 2HG PRO 16 7.024 2.306 -3.853
126 1HD PRO 16 1HD PRO 16 7.844 0.992 -1.449
127 2HD PRO 16 2HD PRO 16 7.443 0.143 -2.922
128 H1 PHL 17 H1 PHL 17 11.185 2.578 1.781
129 H2 PHL 17 H2 PHL 17 12.420 3.837 1.848
130 HO PHL 17 HO PHL 17 13.674 2.212 1.635
131 HA PHL 17 HA PHL 17 12.358 4.148 -0.580
132 2HN PHL 17 2HN PHL 17 9.983 2.160 -0.771
133 1HB PHL 17 1HB PHL 17 9.594 4.356 0.707
134 2HB PHL 17 2HB PHL 17 10.894 5.512 0.910
135 HD1 PHL 17 HD1 PHL 17 11.955 6.205 -1.668
136 HD2 PHL 17 HD2 PHL 17 7.882 5.207 -0.725
137 HE1 PHL 17 HE1 PHL 17 11.190 7.409 -3.667
138 HE2 PHL 17 HE2 PHL 17 7.128 6.423 -2.726
139 HZ PHL 17 HZ PHL 17 8.779 7.534 -4.196
Start of MODEL 6
1 1H ACE 1 H1 ACE 1 -13.664 -2.742 -1.225
2 2H ACE 1 H2 ACE 1 -12.314 -3.734 -1.834
3 3H ACE 1 H3 ACE 1 -12.551 -3.547 -0.081
4 H TRP 2 H TRP 2 -13.072 -0.790 -0.022
5 HA TRP 2 HA TRP 2 -10.647 0.646 -1.014
6 1HB TRP 2 1HB TRP 2 -13.007 1.480 0.716
7 2HB TRP 2 2HB TRP 2 -11.535 2.351 0.978
8 HD1 TRP 2 HD1 TRP 2 -10.449 2.621 -2.136
9 HE1 TRP 2 HE1 TRP 2 -11.411 4.635 -3.518
10 HE3 TRP 2 HE3 TRP 2 -14.737 3.184 0.579
11 HZ2 TRP 2 HZ2 TRP 2 -13.720 6.276 -3.224
12 HZ3 TRP 2 HZ3 TRP 2 -16.217 5.092 0.062
13 HH2 TRP 2 HH2 TRP 2 -15.711 6.620 -1.801
14 H ILE 3 H ILE 3 -11.499 -0.792 2.159
15 HA ILE 3 HA ILE 3 -8.834 -0.109 3.281
16 HB ILE 3 HB ILE 3 -9.292 -1.602 5.183
17 1HG1 ILE 3 1HG1 ILE 3 -11.976 -2.262 5.303
18 2HG1 ILE 3 2HG1 ILE 3 -11.732 -2.513 3.594
19 1HG2 ILE 3 1HG2 ILE 3 -11.600 0.347 4.680
20 2HG2 ILE 3 2HG2 ILE 3 -11.015 -0.248 6.252
21 3HG2 ILE 3 3HG2 ILE 3 -9.969 0.777 5.251
22 1HD1 ILE 3 1HD1 ILE 3 -10.203 -3.882 5.910
23 2HD1 ILE 3 2HD1 ILE 3 -11.415 -4.622 4.840
24 3HD1 ILE 3 3HD1 ILE 3 -9.823 -4.166 4.192
25 H GLN 4 H GLN 4 -10.002 -2.956 1.564
26 HA GLN 4 HA GLN 4 -7.496 -4.473 1.597
27 1HB GLN 4 1HB GLN 4 -10.047 -4.484 -0.018
28 2HB GLN 4 2HB GLN 4 -8.686 -4.945 -0.965
29 1HG GLN 4 1HG GLN 4 -9.245 -6.297 1.749
30 2HG GLN 4 2HG GLN 4 -10.051 -6.777 0.270
31 1HE2 GLN 4 1HE2 GLN 4 -6.355 -8.279 0.793
32 2HE2 GLN 4 2HE2 GLN 4 -7.291 -7.403 2.102
33 2HN DIV 5 HN DIV 5 -8.511 -1.781 -0.597
34 1HB1 DIV 5 1HB1 DIV 5 -5.421 -1.576 -3.343
35 2HB1 DIV 5 2HB1 DIV 5 -5.626 -3.014 -2.437
36 1HG1 DIV 5 1HG1 DIV 5 -7.642 -1.890 -4.475
37 2HG1 DIV 5 2HG1 DIV 5 -6.646 -3.350 -4.612
38 3HG1 DIV 5 3HG1 DIV 5 -7.979 -3.298 -3.428
39 1HB2 DIV 5 1HB2 DIV 5 -7.992 0.563 -1.470
40 2HB2 DIV 5 2HB2 DIV 5 -7.056 0.512 -2.970
41 3HB2 DIV 5 3HB2 DIV 5 -8.493 -0.509 -2.775
42 H ILE 6 H ILE 6 -6.792 0.141 0.495
43 HA ILE 6 HA ILE 6 -4.089 1.334 0.542
44 HB ILE 6 HB ILE 6 -6.168 1.077 2.772
45 1HG1 ILE 6 1HG1 ILE 6 -5.580 3.721 1.308
46 2HG1 ILE 6 2HG1 ILE 6 -6.645 2.576 0.540
47 1HG2 ILE 6 1HG2 ILE 6 -3.668 2.894 2.739
48 2HG2 ILE 6 2HG2 ILE 6 -4.996 3.023 3.912
49 3HG2 ILE 6 3HG2 ILE 6 -4.005 1.562 3.874
50 1HD1 ILE 6 1HD1 ILE 6 -7.140 3.706 3.367
51 2HD1 ILE 6 2HD1 ILE 6 -7.973 4.185 1.871
52 3HD1 ILE 6 3HD1 ILE 6 -8.181 2.539 2.517
53 H THR 7 H THR 7 -5.328 -1.712 1.854
54 HA THR 7 HA THR 7 -2.875 -2.385 3.367
55 HB THR 7 HB THR 7 -5.203 -4.173 2.514
56 HG1 THR 7 HG1 THR 7 -5.470 -2.378 3.993
57 1HG2 THR 7 1HG2 THR 7 -4.450 -5.724 4.353
58 2HG2 THR 7 2HG2 THR 7 -3.277 -5.676 3.021
59 3HG2 THR 7 3HG2 THR 7 -2.943 -4.790 4.533
60 2HN AIB 8 HN AIB 8 -3.914 -3.288 0.059
61 1HB1 AIB 8 1HB1 AIB 8 -3.321 -2.946 -2.420
62 2HB1 AIB 8 2HB1 AIB 8 -2.231 -4.164 -3.090
63 3HB1 AIB 8 3HB1 AIB 8 -3.652 -4.670 -2.154
64 1HB2 AIB 8 1HB2 AIB 8 -2.119 -6.082 -0.623
65 2HB2 AIB 8 2HB2 AIB 8 -0.724 -5.563 -1.597
66 3HB2 AIB 8 3HB2 AIB 8 -0.703 -5.340 0.156
67 H LEU 9 H LEU 9 -2.226 -1.358 -0.692
68 HA LEU 9 HA LEU 9 0.411 -0.495 -1.838
69 1HB LEU 9 1HB LEU 9 -2.022 0.999 -0.756
70 2HB LEU 9 2HB LEU 9 -0.563 1.837 -1.214
71 HG LEU 9 HG LEU 9 -1.949 -0.034 -3.217
72 1HD1 LEU 9 1HD1 LEU 9 -2.555 2.962 -2.848
73 2HD1 LEU 9 2HD1 LEU 9 -3.109 1.936 -4.197
74 3HD1 LEU 9 3HD1 LEU 9 -3.678 1.610 -2.551
75 1HD2 LEU 9 1HD2 LEU 9 0.415 0.668 -3.775
76 2HD2 LEU 9 2HD2 LEU 9 -0.750 1.349 -4.922
77 3HD2 LEU 9 3HD2 LEU 9 -0.058 2.374 -3.638
78 2HN AIB 10 HN AIB 10 -0.548 -1.319 1.386
79 1HB1 AIB 10 1HB1 AIB 10 0.093 -2.423 3.551
80 2HB1 AIB 10 2HB1 AIB 10 0.856 -1.398 4.770
81 3HB1 AIB 10 3HB1 AIB 10 -0.682 -0.919 4.030
82 1HB2 AIB 10 1HB2 AIB 10 0.084 1.306 3.299
83 2HB2 AIB 10 2HB2 AIB 10 1.596 0.988 4.181
84 3HB2 AIB 10 3HB2 AIB 10 1.649 1.543 2.506
85 HA HYP 11 HA HYP 11 4.909 -2.673 2.285
86 1HB HYP 11 1HB HYP 11 4.687 -4.762 0.471
87 2HB HYP 11 2HB HYP 11 4.352 -4.884 2.200
88 1HD HYP 11 1HD HYP 11 0.927 -3.237 1.356
89 2HD HYP 11 2HD HYP 11 1.612 -3.938 2.859
90 HOD HYP 11 HD1 HYP 11 1.214 -5.883 1.515
91 HG HYP 11 HG HYP 11 2.340 -4.454 -0.068
92 H GLN 12 H GLN 12 3.044 -1.055 -0.119
93 HA GLN 12 HA GLN 12 5.504 -0.684 -1.843
94 1HB GLN 12 1HB GLN 12 2.644 0.261 -2.500
95 2HB GLN 12 2HB GLN 12 4.063 0.376 -3.518
96 1HG GLN 12 1HG GLN 12 4.182 -2.193 -3.544
97 2HG GLN 12 2HG GLN 12 2.661 -2.200 -2.646
98 1HE2 GLN 12 1HE2 GLN 12 0.865 -1.963 -5.762
99 2HE2 GLN 12 2HE2 GLN 12 0.943 -2.526 -4.014
100 2HN AIB 13 HN AIB 13 4.565 0.592 0.870
101 1HB1 AIB 13 1HB1 AIB 13 4.595 1.880 2.850
102 2HB1 AIB 13 2HB1 AIB 13 5.685 3.270 3.051
103 3HB1 AIB 13 3HB1 AIB 13 4.124 3.424 2.216
104 1HB2 AIB 13 1HB2 AIB 13 4.644 4.133 0.016
105 2HB2 AIB 13 2HB2 AIB 13 6.155 4.618 0.835
106 3HB2 AIB 13 3HB2 AIB 13 6.221 3.778 -0.715
107 HA HYP 14 HA HYP 14 9.584 1.036 2.290
108 1HB HYP 14 1HB HYP 14 9.435 -1.761 2.795
109 2HB HYP 14 2HB HYP 14 9.357 -0.439 3.970
110 1HD HYP 14 1HD HYP 14 5.887 -0.538 1.908
111 2HD HYP 14 2HD HYP 14 6.032 0.508 3.308
112 HOD HYP 14 HD1 HYP 14 7.389 -0.308 5.027
113 HG HYP 14 HG HYP 14 7.163 -2.161 2.891
114 2HN AIB 15 HN AIB 15 7.840 -1.001 -0.159
115 1HB1 AIB 15 1HB1 AIB 15 7.427 -1.827 -2.490
116 2HB1 AIB 15 2HB1 AIB 15 8.663 -2.866 -3.208
117 3HB1 AIB 15 3HB1 AIB 15 7.933 -3.283 -1.639
118 1HB2 AIB 15 1HB2 AIB 15 10.109 -3.459 -0.409
119 2HB2 AIB 15 2HB2 AIB 15 10.853 -3.286 -2.024
120 3HB2 AIB 15 3HB2 AIB 15 11.393 -2.266 -0.688
121 HA PRO 16 HA PRO 16 10.792 1.427 -4.224
122 1HB PRO 16 1HB PRO 16 9.306 3.765 -3.947
123 2HB PRO 16 2HB PRO 16 8.886 2.445 -5.042
124 1HG PRO 16 1HG PRO 16 7.702 3.107 -2.350
125 2HG PRO 16 2HG PRO 16 6.897 2.427 -3.776
126 1HD PRO 16 1HD PRO 16 7.831 1.001 -1.477
127 2HD PRO 16 2HD PRO 16 7.333 0.213 -2.960
128 H1 PHL 17 H1 PHL 17 11.401 2.150 1.578
129 H2 PHL 17 H2 PHL 17 12.714 3.315 1.725
130 HO PHL 17 HO PHL 17 13.491 1.252 1.405
131 HA PHL 17 HA PHL 17 12.552 3.877 -0.688
132 2HN PHL 17 2HN PHL 17 10.021 2.094 -0.869
133 1HB PHL 17 1HB PHL 17 9.912 4.145 0.842
134 2HB PHL 17 2HB PHL 17 11.301 5.204 1.014
135 HD1 PHL 17 HD1 PHL 17 12.177 6.166 -1.488
136 HD2 PHL 17 HD2 PHL 17 8.156 5.037 -0.484
137 HE1 PHL 17 HE1 PHL 17 11.317 7.588 -3.305
138 HE2 PHL 17 HE2 PHL 17 7.307 6.456 -2.303
139 HZ PHL 17 HZ PHL 17 8.882 7.749 -3.707
Start of MODEL 7
1 1H ACE 1 H1 ACE 1 -13.461 -2.382 -1.538
2 2H ACE 1 H2 ACE 1 -12.109 -3.366 -2.149
3 3H ACE 1 H3 ACE 1 -12.499 -3.389 -0.412
4 H TRP 2 H TRP 2 -12.845 -0.705 0.093
5 HA TRP 2 HA TRP 2 -10.511 0.899 -0.830
6 1HB TRP 2 1HB TRP 2 -11.913 1.833 1.679
7 2HB TRP 2 2HB TRP 2 -11.188 2.741 0.382
8 HD1 TRP 2 HD1 TRP 2 -12.872 2.056 -2.186
9 HE1 TRP 2 HE1 TRP 2 -15.484 2.382 -2.417
10 HE3 TRP 2 HE3 TRP 2 -13.872 2.239 2.821
11 HZ2 TRP 2 HZ2 TRP 2 -17.591 2.677 -0.501
12 HZ3 TRP 2 HZ3 TRP 2 -16.202 2.540 3.565
13 HH2 TRP 2 HH2 TRP 2 -18.037 2.753 1.934
14 H ILE 3 H ILE 3 -11.313 -0.707 2.277
15 HA ILE 3 HA ILE 3 -8.674 -0.135 3.456
16 HB ILE 3 HB ILE 3 -10.578 -2.341 4.456
17 1HG1 ILE 3 1HG1 ILE 3 -11.161 -0.492 6.311
18 2HG1 ILE 3 2HG1 ILE 3 -10.716 0.669 5.082
19 1HG2 ILE 3 1HG2 ILE 3 -8.384 -0.773 5.958
20 2HG2 ILE 3 2HG2 ILE 3 -9.456 -2.012 6.664
21 3HG2 ILE 3 3HG2 ILE 3 -8.286 -2.470 5.428
22 1HD1 ILE 3 1HD1 ILE 3 -12.929 -1.501 4.833
23 2HD1 ILE 3 2HD1 ILE 3 -13.193 0.209 5.232
24 3HD1 ILE 3 3HD1 ILE 3 -12.613 -0.234 3.618
25 H GLN 4 H GLN 4 -9.947 -2.983 1.699
26 HA GLN 4 HA GLN 4 -7.498 -4.565 1.770
27 1HB GLN 4 1HB GLN 4 -9.875 -5.224 0.797
28 2HB GLN 4 2HB GLN 4 -9.360 -4.427 -0.669
29 1HG GLN 4 1HG GLN 4 -7.149 -6.144 -0.072
30 2HG GLN 4 2HG GLN 4 -8.488 -7.039 0.597
31 1HE2 GLN 4 1HE2 GLN 4 -7.850 -7.724 -3.187
32 2HE2 GLN 4 2HE2 GLN 4 -6.692 -7.387 -1.804
33 2HN DIV 5 HN DIV 5 -8.389 -1.840 -0.417
34 1HB1 DIV 5 1HB1 DIV 5 -5.362 -1.742 -3.244
35 2HB1 DIV 5 2HB1 DIV 5 -5.503 -3.151 -2.280
36 1HG1 DIV 5 1HG1 DIV 5 -7.615 -2.167 -4.283
37 2HG1 DIV 5 2HG1 DIV 5 -6.599 -3.617 -4.388
38 3HG1 DIV 5 3HG1 DIV 5 -7.881 -3.530 -3.157
39 1HB2 DIV 5 1HB2 DIV 5 -7.874 0.420 -1.377
40 2HB2 DIV 5 2HB2 DIV 5 -6.852 0.402 -2.823
41 3HB2 DIV 5 3HB2 DIV 5 -8.296 -0.617 -2.740
42 H ILE 6 H ILE 6 -6.640 0.136 0.527
43 HA ILE 6 HA ILE 6 -3.846 1.096 0.640
44 HB ILE 6 HB ILE 6 -6.077 1.158 2.732
45 1HG1 ILE 6 1HG1 ILE 6 -6.671 2.524 0.785
46 2HG1 ILE 6 2HG1 ILE 6 -6.401 3.517 2.185
47 1HG2 ILE 6 1HG2 ILE 6 -3.364 2.596 2.933
48 2HG2 ILE 6 2HG2 ILE 6 -4.788 2.976 3.934
49 3HG2 ILE 6 3HG2 ILE 6 -4.036 1.379 4.042
50 1HD1 ILE 6 1HD1 ILE 6 -4.413 3.198 -0.169
51 2HD1 ILE 6 2HD1 ILE 6 -5.455 4.597 0.159
52 3HD1 ILE 6 3HD1 ILE 6 -4.122 4.212 1.267
53 H THR 7 H THR 7 -5.255 -1.887 1.812
54 HA THR 7 HA THR 7 -2.884 -2.612 3.465
55 HB THR 7 HB THR 7 -5.235 -4.317 2.535
56 HG1 THR 7 HG1 THR 7 -5.553 -2.621 4.059
57 1HG2 THR 7 1HG2 THR 7 -4.546 -5.950 4.315
58 2HG2 THR 7 2HG2 THR 7 -3.376 -5.898 2.980
59 3HG2 THR 7 3HG2 THR 7 -3.000 -5.079 4.522
60 2HN AIB 8 HN AIB 8 -3.897 -3.520 0.152
61 1HB1 AIB 8 1HB1 AIB 8 -3.320 -3.332 -2.360
62 2HB1 AIB 8 2HB1 AIB 8 -2.256 -4.616 -2.951
63 3HB1 AIB 8 3HB1 AIB 8 -3.671 -5.029 -1.960
64 1HB2 AIB 8 1HB2 AIB 8 -2.108 -6.346 -0.382
65 2HB2 AIB 8 2HB2 AIB 8 -0.727 -5.889 -1.404
66 3HB2 AIB 8 3HB2 AIB 8 -0.682 -5.563 0.332
67 H LEU 9 H LEU 9 -2.232 -1.650 -0.677
68 HA LEU 9 HA LEU 9 0.419 -0.837 -1.873
69 1HB LEU 9 1HB LEU 9 -2.086 0.703 -1.046
70 2HB LEU 9 2HB LEU 9 -0.624 1.522 -1.508
71 HG LEU 9 HG LEU 9 -1.769 -0.580 -3.421
72 1HD1 LEU 9 1HD1 LEU 9 -2.757 2.331 -3.293
73 2HD1 LEU 9 2HD1 LEU 9 -3.106 1.154 -4.587
74 3HD1 LEU 9 3HD1 LEU 9 -3.711 0.866 -2.951
75 1HD2 LEU 9 1HD2 LEU 9 0.534 0.362 -3.890
76 2HD2 LEU 9 2HD2 LEU 9 -0.626 0.782 -5.161
77 3HD2 LEU 9 3HD2 LEU 9 -0.154 2.001 -3.947
78 2HN AIB 10 HN AIB 10 -0.593 -1.480 1.346
79 1HB1 AIB 10 1HB1 AIB 10 0.023 -2.409 3.572
80 2HB1 AIB 10 2HB1 AIB 10 0.809 -1.342 4.737
81 3HB1 AIB 10 3HB1 AIB 10 -0.756 -0.904 4.040
82 1HB2 AIB 10 1HB2 AIB 10 -0.113 1.292 3.146
83 2HB2 AIB 10 2HB2 AIB 10 1.408 1.079 4.046
84 3HB2 AIB 10 3HB2 AIB 10 1.447 1.550 2.345
85 HA HYP 11 HA HYP 11 4.846 -2.566 2.410
86 1HB HYP 11 1HB HYP 11 4.754 -4.763 0.740
87 2HB HYP 11 2HB HYP 11 4.293 -4.801 2.445
88 1HD HYP 11 1HD HYP 11 0.911 -3.269 1.352
89 2HD HYP 11 2HD HYP 11 1.542 -3.920 2.898
90 HOD HYP 11 HD1 HYP 11 1.533 -5.801 2.198
91 HG HYP 11 HG HYP 11 2.440 -4.484 0.026
92 H GLN 12 H GLN 12 2.968 -1.159 -0.133
93 HA GLN 12 HA GLN 12 5.433 -0.819 -1.846
94 1HB GLN 12 1HB GLN 12 2.551 0.008 -2.567
95 2HB GLN 12 2HB GLN 12 3.972 0.120 -3.589
96 1HG GLN 12 1HG GLN 12 4.158 -2.463 -3.449
97 2HG GLN 12 2HG GLN 12 2.609 -2.430 -2.598
98 1HE2 GLN 12 1HE2 GLN 12 0.919 -2.417 -5.787
99 2HE2 GLN 12 2HE2 GLN 12 0.953 -2.901 -4.008
100 2HN AIB 13 HN AIB 13 4.441 0.589 0.782
101 1HB1 AIB 13 1HB1 AIB 13 4.397 2.004 2.688
102 2HB1 AIB 13 2HB1 AIB 13 5.411 3.457 2.802
103 3HB1 AIB 13 3HB1 AIB 13 3.857 3.467 1.945
104 1HB2 AIB 13 1HB2 AIB 13 4.390 4.075 -0.274
105 2HB2 AIB 13 2HB2 AIB 13 5.871 4.666 0.535
106 3HB2 AIB 13 3HB2 AIB 13 5.989 3.744 -0.969
107 HA HYP 14 HA HYP 14 9.416 1.342 2.244
108 1HB HYP 14 1HB HYP 14 9.381 -1.407 2.965
109 2HB HYP 14 2HB HYP 14 9.207 -0.005 4.026
110 1HD HYP 14 1HD HYP 14 5.799 -0.438 1.906
111 2HD HYP 14 2HD HYP 14 5.852 0.704 3.232
112 HOD HYP 14 HD1 HYP 14 7.209 0.113 5.021
113 HG HYP 14 HG HYP 14 7.119 -1.916 3.044
114 2HN AIB 15 HN AIB 15 7.786 -0.942 -0.045
115 1HB1 AIB 15 1HB1 AIB 15 7.412 -1.894 -2.336
116 2HB1 AIB 15 2HB1 AIB 15 8.676 -2.937 -2.985
117 3HB1 AIB 15 3HB1 AIB 15 7.941 -3.280 -1.399
118 1HB2 AIB 15 1HB2 AIB 15 10.102 -3.339 -0.141
119 2HB2 AIB 15 2HB2 AIB 15 10.869 -3.231 -1.754
120 3HB2 AIB 15 3HB2 AIB 15 11.363 -2.135 -0.461
121 HA PRO 16 HA PRO 16 10.730 1.326 -4.231
122 1HB PRO 16 1HB PRO 16 9.139 3.619 -4.121
123 2HB PRO 16 2HB PRO 16 8.828 2.223 -5.155
124 1HG PRO 16 1HG PRO 16 7.462 2.997 -2.589
125 2HG PRO 16 2HG PRO 16 6.795 2.125 -3.983
126 1HD PRO 16 1HD PRO 16 7.726 0.999 -1.515
127 2HD PRO 16 2HD PRO 16 7.281 0.070 -2.925
128 H1 PHL 17 H1 PHL 17 12.687 2.000 0.574
129 H2 PHL 17 H2 PHL 17 11.249 2.413 1.527
130 HO PHL 17 HO PHL 17 12.380 4.558 1.712
131 HA PHL 17 HA PHL 17 12.328 4.061 -0.823
132 2HN PHL 17 2HN PHL 17 9.866 2.178 -0.946
133 1HB PHL 17 1HB PHL 17 9.654 4.301 0.664
134 2HB PHL 17 2HB PHL 17 11.021 5.389 0.837
135 HD1 PHL 17 HD1 PHL 17 11.953 6.401 -1.539
136 HD2 PHL 17 HD2 PHL 17 7.955 4.961 -0.915
137 HE1 PHL 17 HE1 PHL 17 11.174 7.721 -3.457
138 HE2 PHL 17 HE2 PHL 17 7.176 6.296 -2.826
139 HZ PHL 17 HZ PHL 17 8.784 7.675 -4.116
Start of MODEL 8
1 1H ACE 1 H1 ACE 1 -13.547 -2.522 -1.398
2 2H ACE 1 H2 ACE 1 -12.192 -3.506 -2.006
3 3H ACE 1 H3 ACE 1 -12.477 -3.386 -0.254
4 H TRP 2 H TRP 2 -12.929 -0.684 0.008
5 HA TRP 2 HA TRP 2 -10.583 0.897 -0.952
6 1HB TRP 2 1HB TRP 2 -12.721 2.033 -0.377
7 2HB TRP 2 2HB TRP 2 -12.582 1.536 1.289
8 HD1 TRP 2 HD1 TRP 2 -11.318 3.178 2.918
9 HE1 TRP 2 HE1 TRP 2 -9.647 5.213 2.767
10 HE3 TRP 2 HE3 TRP 2 -10.784 3.117 -2.163
11 HZ2 TRP 2 HZ2 TRP 2 -8.308 6.489 0.588
12 HZ3 TRP 2 HZ3 TRP 2 -9.254 4.745 -3.220
13 HH2 TRP 2 HH2 TRP 2 -8.032 6.398 -1.867
14 H ILE 3 H ILE 3 -11.393 -0.731 2.135
15 HA ILE 3 HA ILE 3 -8.690 -0.214 3.251
16 HB ILE 3 HB ILE 3 -9.082 -1.567 5.129
17 1HG1 ILE 3 1HG1 ILE 3 -10.200 -3.552 4.415
18 2HG1 ILE 3 2HG1 ILE 3 -11.071 -2.811 5.729
19 1HG2 ILE 3 1HG2 ILE 3 -11.600 0.121 4.698
20 2HG2 ILE 3 2HG2 ILE 3 -10.871 -0.361 6.248
21 3HG2 ILE 3 3HG2 ILE 3 -9.994 0.728 5.158
22 1HD1 ILE 3 1HD1 ILE 3 -11.930 -2.889 2.772
23 2HD1 ILE 3 2HD1 ILE 3 -12.720 -3.659 4.162
24 3HD1 ILE 3 3HD1 ILE 3 -12.773 -1.891 3.987
25 H GLN 4 H GLN 4 -9.934 -2.960 1.390
26 HA GLN 4 HA GLN 4 -7.411 -4.498 1.500
27 1HB GLN 4 1HB GLN 4 -9.653 -4.432 -0.608
28 2HB GLN 4 2HB GLN 4 -8.150 -5.288 -0.903
29 1HG GLN 4 1HG GLN 4 -8.481 -6.603 1.261
30 2HG GLN 4 2HG GLN 4 -10.087 -5.892 1.396
31 1HE2 GLN 4 1HE2 GLN 4 -10.729 -9.126 -0.230
32 2HE2 GLN 4 2HE2 GLN 4 -10.478 -8.310 1.394
33 2HN DIV 5 HN DIV 5 -8.416 -1.785 -0.664
34 1HB1 DIV 5 1HB1 DIV 5 -5.292 -1.485 -3.355
35 2HB1 DIV 5 2HB1 DIV 5 -5.525 -2.951 -2.496
36 1HG1 DIV 5 1HG1 DIV 5 -7.513 -1.749 -4.518
37 2HG1 DIV 5 2HG1 DIV 5 -6.547 -3.232 -4.672
38 3HG1 DIV 5 3HG1 DIV 5 -7.880 -3.167 -3.496
39 1HB2 DIV 5 1HB2 DIV 5 -7.870 0.613 -1.431
40 2HB2 DIV 5 2HB2 DIV 5 -6.882 0.632 -2.899
41 3HB2 DIV 5 3HB2 DIV 5 -8.328 -0.390 -2.806
42 H ILE 6 H ILE 6 -6.676 0.204 0.498
43 HA ILE 6 HA ILE 6 -3.924 1.249 0.614
44 HB ILE 6 HB ILE 6 -6.071 1.164 2.790
45 1HG1 ILE 6 1HG1 ILE 6 -6.910 2.516 0.952
46 2HG1 ILE 6 2HG1 ILE 6 -6.536 3.534 2.312
47 1HG2 ILE 6 1HG2 ILE 6 -3.461 2.790 2.842
48 2HG2 ILE 6 2HG2 ILE 6 -4.841 3.046 3.936
49 3HG2 ILE 6 3HG2 ILE 6 -3.967 1.513 3.973
50 1HD1 ILE 6 1HD1 ILE 6 -4.785 3.277 -0.229
51 2HD1 ILE 6 2HD1 ILE 6 -5.863 4.627 0.188
52 3HD1 ILE 6 3HD1 ILE 6 -4.408 4.325 1.163
53 H THR 7 H THR 7 -5.274 -1.781 1.826
54 HA THR 7 HA THR 7 -2.862 -2.500 3.412
55 HB THR 7 HB THR 7 -5.194 -4.231 2.451
56 HG1 THR 7 HG1 THR 7 -5.545 -2.532 3.975
57 1HG2 THR 7 1HG2 THR 7 -4.530 -5.848 4.267
58 2HG2 THR 7 2HG2 THR 7 -3.349 -5.809 2.941
59 3HG2 THR 7 3HG2 THR 7 -2.987 -4.984 4.482
60 2HN AIB 8 HN AIB 8 -3.819 -3.265 0.048
61 1HB1 AIB 8 1HB1 AIB 8 -3.292 -3.165 -2.399
62 2HB1 AIB 8 2HB1 AIB 8 -2.224 -4.429 -3.025
63 3HB1 AIB 8 3HB1 AIB 8 -3.639 -4.872 -2.048
64 1HB2 AIB 8 1HB2 AIB 8 -2.117 -6.228 -0.481
65 2HB2 AIB 8 2HB2 AIB 8 -0.717 -5.779 -1.475
66 3HB2 AIB 8 3HB2 AIB 8 -0.688 -5.481 0.266
67 H LEU 9 H LEU 9 -2.180 -1.534 -0.718
68 HA LEU 9 HA LEU 9 0.468 -0.702 -1.882
69 1HB LEU 9 1HB LEU 9 -2.008 0.827 -0.952
70 2HB LEU 9 2HB LEU 9 -0.551 1.648 -1.427
71 HG LEU 9 HG LEU 9 -1.875 -0.353 -3.346
72 1HD1 LEU 9 1HD1 LEU 9 -2.549 2.645 -3.169
73 2HD1 LEU 9 2HD1 LEU 9 -3.041 1.535 -4.473
74 3HD1 LEU 9 3HD1 LEU 9 -3.652 1.288 -2.831
75 1HD2 LEU 9 1HD2 LEU 9 0.491 0.357 -3.888
76 2HD2 LEU 9 2HD2 LEU 9 -0.657 0.935 -5.105
77 3HD2 LEU 9 3HD2 LEU 9 -0.019 2.058 -3.877
78 2HN AIB 10 HN AIB 10 -0.580 -1.389 1.347
79 1HB1 AIB 10 1HB1 AIB 10 0.055 -2.417 3.564
80 2HB1 AIB 10 2HB1 AIB 10 0.814 -1.359 4.750
81 3HB1 AIB 10 3HB1 AIB 10 -0.735 -0.915 4.020
82 1HB2 AIB 10 1HB2 AIB 10 -0.054 1.285 3.203
83 2HB2 AIB 10 2HB2 AIB 10 1.459 1.048 4.103
84 3HB2 AIB 10 3HB2 AIB 10 1.506 1.556 2.410
85 HA HYP 11 HA HYP 11 4.890 -2.604 2.389
86 1HB HYP 11 1HB HYP 11 4.747 -4.758 0.645
87 2HB HYP 11 2HB HYP 11 4.360 -4.831 2.365
88 1HD HYP 11 1HD HYP 11 0.945 -3.260 1.361
89 2HD HYP 11 2HD HYP 11 1.583 -3.916 2.905
90 HOD HYP 11 HD1 HYP 11 1.339 -5.831 1.906
91 HG HYP 11 HG HYP 11 2.411 -4.501 0.026
92 H GLN 12 H GLN 12 3.032 -1.139 -0.123
93 HA GLN 12 HA GLN 12 5.503 -0.778 -1.824
94 1HB GLN 12 1HB GLN 12 2.624 0.056 -2.550
95 2HB GLN 12 2HB GLN 12 4.050 0.169 -3.562
96 1HG GLN 12 1HG GLN 12 4.238 -2.406 -3.455
97 2HG GLN 12 2HG GLN 12 2.691 -2.397 -2.599
98 1HE2 GLN 12 1HE2 GLN 12 0.954 -2.284 -5.762
99 2HE2 GLN 12 2HE2 GLN 12 0.990 -2.778 -3.987
100 2HN AIB 13 HN AIB 13 4.501 0.590 0.816
101 1HB1 AIB 13 1HB1 AIB 13 4.479 1.962 2.742
102 2HB1 AIB 13 2HB1 AIB 13 5.523 3.390 2.890
103 3HB1 AIB 13 3HB1 AIB 13 3.970 3.459 2.037
104 1HB2 AIB 13 1HB2 AIB 13 4.504 4.094 -0.186
105 2HB2 AIB 13 2HB2 AIB 13 5.999 4.644 0.627
106 3HB2 AIB 13 3HB2 AIB 13 6.093 3.737 -0.888
107 HA HYP 14 HA HYP 14 9.499 1.255 2.287
108 1HB HYP 14 1HB HYP 14 9.432 -1.505 2.939
109 2HB HYP 14 2HB HYP 14 9.270 -0.128 4.039
110 1HD HYP 14 1HD HYP 14 5.850 -0.461 1.923
111 2HD HYP 14 2HD HYP 14 5.937 0.643 3.280
112 HOD HYP 14 HD1 HYP 14 7.257 -0.033 5.043
113 HG HYP 14 HG HYP 14 7.173 -1.994 2.993
114 2HN AIB 15 HN AIB 15 7.844 -0.947 -0.066
115 1HB1 AIB 15 1HB1 AIB 15 7.473 -1.867 -2.376
116 2HB1 AIB 15 2HB1 AIB 15 8.737 -2.902 -3.044
117 3HB1 AIB 15 3HB1 AIB 15 7.986 -3.281 -1.473
118 1HB2 AIB 15 1HB2 AIB 15 10.125 -3.393 -0.203
119 2HB2 AIB 15 2HB2 AIB 15 10.914 -3.249 -1.804
120 3HB2 AIB 15 3HB2 AIB 15 11.404 -2.195 -0.474
121 HA PRO 16 HA PRO 16 10.818 1.364 -4.200
122 1HB PRO 16 1HB PRO 16 9.236 3.663 -4.054
123 2HB PRO 16 2HB PRO 16 8.919 2.286 -5.113
124 1HG PRO 16 1HG PRO 16 7.563 3.021 -2.528
125 2HG PRO 16 2HG PRO 16 6.884 2.193 -3.942
126 1HD PRO 16 1HD PRO 16 7.789 0.989 -1.506
127 2HD PRO 16 2HD PRO 16 7.363 0.097 -2.945
128 H1 PHL 17 H1 PHL 17 12.725 1.946 0.600
129 H2 PHL 17 H2 PHL 17 11.287 2.352 1.557
130 HO PHL 17 HO PHL 17 13.601 3.947 1.223
131 HA PHL 17 HA PHL 17 12.395 4.049 -0.745
132 2HN PHL 17 2HN PHL 17 9.953 2.145 -0.900
133 1HB PHL 17 1HB PHL 17 9.705 4.263 0.712
134 2HB PHL 17 2HB PHL 17 11.065 5.354 0.918
135 HD1 PHL 17 HD1 PHL 17 12.019 6.390 -1.442
136 HD2 PHL 17 HD2 PHL 17 8.010 4.975 -0.853
137 HE1 PHL 17 HE1 PHL 17 11.255 7.755 -3.338
138 HE2 PHL 17 HE2 PHL 17 7.245 6.355 -2.741
139 HZ PHL 17 HZ PHL 17 8.863 7.754 -3.990
Start of MODEL 9
1 1H ACE 1 H1 ACE 1 -13.630 -2.761 -1.143
2 2H ACE 1 H2 ACE 1 -12.288 -3.710 -1.823
3 3H ACE 1 H3 ACE 1 -12.470 -3.577 -0.060
4 H TRP 2 H TRP 2 -12.997 -0.931 0.226
5 HA TRP 2 HA TRP 2 -10.894 0.792 -1.011
6 1HB TRP 2 1HB TRP 2 -12.202 1.774 1.542
7 2HB TRP 2 2HB TRP 2 -11.608 2.664 0.172
8 HD1 TRP 2 HD1 TRP 2 -13.336 2.501 -2.183
9 HE1 TRP 2 HE1 TRP 2 -15.980 2.434 -2.326
10 HE3 TRP 2 HE3 TRP 2 -14.132 1.012 2.630
11 HZ2 TRP 2 HZ2 TRP 2 -18.019 1.799 -0.423
12 HZ3 TRP 2 HZ3 TRP 2 -16.445 0.685 3.421
13 HH2 TRP 2 HH2 TRP 2 -18.364 1.074 1.921
14 H ILE 3 H ILE 3 -11.320 -0.710 2.204
15 HA ILE 3 HA ILE 3 -8.540 -0.025 3.027
16 HB ILE 3 HB ILE 3 -10.379 -0.156 4.676
17 1HG1 ILE 3 1HG1 ILE 3 -8.477 -2.275 5.723
18 2HG1 ILE 3 2HG1 ILE 3 -7.737 -0.821 5.114
19 1HG2 ILE 3 1HG2 ILE 3 -10.405 -3.221 4.307
20 2HG2 ILE 3 2HG2 ILE 3 -11.237 -2.318 5.595
21 3HG2 ILE 3 3HG2 ILE 3 -11.722 -2.096 3.902
22 1HD1 ILE 3 1HD1 ILE 3 -9.932 -0.757 7.273
23 2HD1 ILE 3 2HD1 ILE 3 -8.175 -0.642 7.553
24 3HD1 ILE 3 3HD1 ILE 3 -9.013 0.635 6.642
25 H GLN 4 H GLN 4 -9.914 -2.697 1.243
26 HA GLN 4 HA GLN 4 -7.496 -4.404 1.455
27 1HB GLN 4 1HB GLN 4 -9.758 -5.233 0.688
28 2HB GLN 4 2HB GLN 4 -9.537 -4.423 -0.854
29 1HG GLN 4 1HG GLN 4 -7.822 -5.936 -1.562
30 2HG GLN 4 2HG GLN 4 -7.268 -6.265 0.058
31 1HE2 GLN 4 1HE2 GLN 4 -10.178 -8.715 -1.428
32 2HE2 GLN 4 2HE2 GLN 4 -9.659 -7.203 -2.330
33 2HN DIV 5 HN DIV 5 -8.473 -1.798 -0.810
34 1HB1 DIV 5 1HB1 DIV 5 -5.233 -1.360 -3.347
35 2HB1 DIV 5 2HB1 DIV 5 -5.555 -2.877 -2.630
36 1HG1 DIV 5 1HG1 DIV 5 -7.415 -1.447 -4.637
37 2HG1 DIV 5 2HG1 DIV 5 -6.380 -2.852 -4.939
38 3HG1 DIV 5 3HG1 DIV 5 -7.791 -3.001 -3.850
39 1HB2 DIV 5 1HB2 DIV 5 -7.929 0.632 -1.455
40 2HB2 DIV 5 2HB2 DIV 5 -6.953 0.700 -2.924
41 3HB2 DIV 5 3HB2 DIV 5 -8.398 -0.332 -2.845
42 H ILE 6 H ILE 6 -6.840 0.109 0.503
43 HA ILE 6 HA ILE 6 -4.147 1.248 0.643
44 HB ILE 6 HB ILE 6 -6.520 1.953 1.841
45 1HG1 ILE 6 1HG1 ILE 6 -3.773 2.820 2.917
46 2HG1 ILE 6 2HG1 ILE 6 -4.421 3.334 1.369
47 1HG2 ILE 6 1HG2 ILE 6 -4.953 0.978 4.292
48 2HG2 ILE 6 2HG2 ILE 6 -6.538 1.792 4.235
49 3HG2 ILE 6 3HG2 ILE 6 -6.362 0.141 3.616
50 1HD1 ILE 6 1HD1 ILE 6 -5.662 4.018 4.099
51 2HD1 ILE 6 2HD1 ILE 6 -4.840 5.108 2.963
52 3HD1 ILE 6 3HD1 ILE 6 -6.416 4.406 2.528
53 H THR 7 H THR 7 -5.265 -1.848 1.677
54 HA THR 7 HA THR 7 -2.843 -2.422 3.344
55 HB THR 7 HB THR 7 -5.163 -4.225 2.481
56 HG1 THR 7 HG1 THR 7 -5.547 -2.517 3.947
57 1HG2 THR 7 1HG2 THR 7 -4.424 -5.794 4.289
58 2HG2 THR 7 2HG2 THR 7 -3.246 -5.738 2.962
59 3HG2 THR 7 3HG2 THR 7 -2.905 -4.887 4.494
60 2HN AIB 8 HN AIB 8 -3.879 -3.274 0.020
61 1HB1 AIB 8 1HB1 AIB 8 -3.316 -3.050 -2.450
62 2HB1 AIB 8 2HB1 AIB 8 -2.267 -4.320 -3.092
63 3HB1 AIB 8 3HB1 AIB 8 -3.691 -4.755 -2.119
64 1HB2 AIB 8 1HB2 AIB 8 -2.159 -6.152 -0.574
65 2HB2 AIB 8 2HB2 AIB 8 -0.760 -5.690 -1.569
66 3HB2 AIB 8 3HB2 AIB 8 -0.728 -5.414 0.175
67 H LEU 9 H LEU 9 -2.213 -1.457 -0.791
68 HA LEU 9 HA LEU 9 0.464 -0.623 -1.903
69 1HB LEU 9 1HB LEU 9 -2.051 0.892 -1.055
70 2HB LEU 9 2HB LEU 9 -0.582 1.727 -1.461
71 HG LEU 9 HG LEU 9 -1.707 -0.303 -3.468
72 1HD1 LEU 9 1HD1 LEU 9 -2.652 2.616 -3.260
73 2HD1 LEU 9 2HD1 LEU 9 -2.969 1.498 -4.615
74 3HD1 LEU 9 3HD1 LEU 9 -3.637 1.149 -3.012
75 1HD2 LEU 9 1HD2 LEU 9 0.624 0.627 -3.855
76 2HD2 LEU 9 2HD2 LEU 9 -0.502 1.118 -5.134
77 3HD2 LEU 9 3HD2 LEU 9 -0.043 2.271 -3.854
78 2HN AIB 10 HN AIB 10 -0.584 -1.375 1.285
79 1HB1 AIB 10 1HB1 AIB 10 0.013 -2.387 3.501
80 2HB1 AIB 10 2HB1 AIB 10 0.771 -1.338 4.706
81 3HB1 AIB 10 3HB1 AIB 10 -0.776 -0.884 3.968
82 1HB2 AIB 10 1HB2 AIB 10 -0.072 1.327 3.177
83 2HB2 AIB 10 2HB2 AIB 10 1.436 1.062 4.089
84 3HB2 AIB 10 3HB2 AIB 10 1.499 1.592 2.405
85 HA HYP 11 HA HYP 11 4.837 -2.615 2.329
86 1HB HYP 11 1HB HYP 11 4.681 -4.734 0.556
87 2HB HYP 11 2HB HYP 11 4.250 -4.839 2.267
88 1HD HYP 11 1HD HYP 11 0.891 -3.185 1.258
89 2HD HYP 11 2HD HYP 11 1.513 -3.896 2.792
90 HOD HYP 11 HD1 HYP 11 1.355 -5.763 1.908
91 HG HYP 11 HG HYP 11 2.370 -4.387 -0.109
92 H GLN 12 H GLN 12 3.013 -1.065 -0.166
93 HA GLN 12 HA GLN 12 5.506 -0.733 -1.845
94 1HB GLN 12 1HB GLN 12 2.655 0.179 -2.590
95 2HB GLN 12 2HB GLN 12 4.089 0.267 -3.588
96 1HG GLN 12 1HG GLN 12 4.212 -2.320 -3.496
97 2HG GLN 12 2HG GLN 12 2.656 -2.274 -2.663
98 1HE2 GLN 12 1HE2 GLN 12 0.959 -2.116 -5.838
99 2HE2 GLN 12 2HE2 GLN 12 0.984 -2.634 -4.071
100 2HN AIB 13 HN AIB 13 4.520 0.616 0.803
101 1HB1 AIB 13 1HB1 AIB 13 4.506 1.960 2.750
102 2HB1 AIB 13 2HB1 AIB 13 5.573 3.368 2.927
103 3HB1 AIB 13 3HB1 AIB 13 4.032 3.474 2.053
104 1HB2 AIB 13 1HB2 AIB 13 4.596 4.121 -0.157
105 2HB2 AIB 13 2HB2 AIB 13 6.084 4.646 0.683
106 3HB2 AIB 13 3HB2 AIB 13 6.196 3.760 -0.835
107 HA HYP 14 HA HYP 14 9.511 1.133 2.323
108 1HB HYP 14 1HB HYP 14 9.358 -1.654 2.903
109 2HB HYP 14 2HB HYP 14 9.243 -0.302 4.041
110 1HD HYP 14 1HD HYP 14 5.817 -0.466 1.907
111 2HD HYP 14 2HD HYP 14 5.938 0.617 3.277
112 HOD HYP 14 HD1 HYP 14 7.238 -0.149 5.041
113 HG HYP 14 HG HYP 14 7.081 -2.063 2.952
114 2HN AIB 15 HN AIB 15 7.824 -0.978 -0.105
115 1HB1 AIB 15 1HB1 AIB 15 7.452 -1.864 -2.415
116 2HB1 AIB 15 2HB1 AIB 15 8.699 -2.930 -3.081
117 3HB1 AIB 15 3HB1 AIB 15 7.931 -3.303 -1.522
118 1HB2 AIB 15 1HB2 AIB 15 10.076 -3.467 -0.240
119 2HB2 AIB 15 2HB2 AIB 15 10.869 -3.325 -1.833
120 3HB2 AIB 15 3HB2 AIB 15 11.369 -2.280 -0.497
121 HA PRO 16 HA PRO 16 10.883 1.346 -4.119
122 1HB PRO 16 1HB PRO 16 9.400 3.694 -3.920
123 2HB PRO 16 2HB PRO 16 8.996 2.351 -4.997
124 1HG PRO 16 1HG PRO 16 7.777 3.065 -2.330
125 2HG PRO 16 2HG PRO 16 6.979 2.395 -3.763
126 1HD PRO 16 1HD PRO 16 7.829 0.954 -1.452
127 2HD PRO 16 2HD PRO 16 7.393 0.167 -2.951
128 H1 PHL 17 H1 PHL 17 12.556 1.731 0.843
129 H2 PHL 17 H2 PHL 17 11.312 2.517 1.826
130 HO PHL 17 HO PHL 17 12.826 4.364 1.829
131 HA PHL 17 HA PHL 17 12.519 3.908 -0.627
132 2HN PHL 17 2HN PHL 17 10.027 2.086 -0.800
133 1HB PHL 17 1HB PHL 17 9.843 4.208 0.826
134 2HB PHL 17 2HB PHL 17 11.213 5.298 0.977
135 HD1 PHL 17 HD1 PHL 17 12.088 6.092 -1.649
136 HD2 PHL 17 HD2 PHL 17 8.079 5.134 -0.435
137 HE1 PHL 17 HE1 PHL 17 11.193 7.441 -3.506
138 HE2 PHL 17 HE2 PHL 17 7.197 6.466 -2.303
139 HZ PHL 17 HZ PHL 17 8.751 7.640 -3.829
Start of MODEL 10
1 1H ACE 1 H1 ACE 1 -13.525 -2.804 -1.865
2 2H ACE 1 H2 ACE 1 -12.096 -3.689 -2.447
3 3H ACE 1 H3 ACE 1 -12.549 -3.791 -0.731
4 H TRP 2 H TRP 2 -13.083 -1.150 -0.166
5 HA TRP 2 HA TRP 2 -10.837 0.645 -0.914
6 1HB TRP 2 1HB TRP 2 -13.049 0.927 1.193
7 2HB TRP 2 2HB TRP 2 -11.723 2.059 1.131
8 HD1 TRP 2 HD1 TRP 2 -15.124 1.732 -0.274
9 HE1 TRP 2 HE1 TRP 2 -15.611 3.602 -2.072
10 HE3 TRP 2 HE3 TRP 2 -10.259 3.087 -1.030
11 HZ2 TRP 2 HZ2 TRP 2 -13.932 5.437 -3.490
12 HZ3 TRP 2 HZ3 TRP 2 -9.764 4.946 -2.582
13 HH2 TRP 2 HH2 TRP 2 -11.570 6.105 -3.787
14 H ILE 3 H ILE 3 -11.545 -0.998 2.242
15 HA ILE 3 HA ILE 3 -8.909 -0.249 3.299
16 HB ILE 3 HB ILE 3 -10.605 -2.516 4.493
17 1HG1 ILE 3 1HG1 ILE 3 -11.287 -0.616 6.246
18 2HG1 ILE 3 2HG1 ILE 3 -10.946 0.511 4.953
19 1HG2 ILE 3 1HG2 ILE 3 -8.506 -0.685 5.820
20 2HG2 ILE 3 2HG2 ILE 3 -9.468 -1.939 6.643
21 3HG2 ILE 3 3HG2 ILE 3 -8.291 -2.407 5.416
22 1HD1 ILE 3 1HD1 ILE 3 -12.976 -1.838 4.818
23 2HD1 ILE 3 2HD1 ILE 3 -13.386 -0.156 5.211
24 3HD1 ILE 3 3HD1 ILE 3 -12.803 -0.560 3.587
25 H GLN 4 H GLN 4 -9.936 -3.145 1.555
26 HA GLN 4 HA GLN 4 -7.365 -4.560 1.681
27 1HB GLN 4 1HB GLN 4 -9.612 -5.492 0.814
28 2HB GLN 4 2HB GLN 4 -9.354 -4.594 -0.676
29 1HG GLN 4 1HG GLN 4 -7.213 -5.880 -1.076
30 2HG GLN 4 2HG GLN 4 -7.371 -6.677 0.482
31 1HE2 GLN 4 1HE2 GLN 4 -9.320 -9.286 -1.015
32 2HE2 GLN 4 2HE2 GLN 4 -8.213 -8.699 0.324
33 2HN DIV 5 HN DIV 5 -8.484 -1.946 -0.561
34 1HB1 DIV 5 1HB1 DIV 5 -5.400 -1.579 -3.297
35 2HB1 DIV 5 2HB1 DIV 5 -5.518 -3.015 -2.368
36 1HG1 DIV 5 1HG1 DIV 5 -7.604 -2.025 -4.403
37 2HG1 DIV 5 2HG1 DIV 5 -6.556 -3.452 -4.509
38 3HG1 DIV 5 3HG1 DIV 5 -7.879 -3.414 -3.316
39 1HB2 DIV 5 1HB2 DIV 5 -8.039 0.459 -1.436
40 2HB2 DIV 5 2HB2 DIV 5 -7.032 0.466 -2.886
41 3HB2 DIV 5 3HB2 DIV 5 -8.437 -0.608 -2.778
42 H ILE 6 H ILE 6 -6.796 0.116 0.568
43 HA ILE 6 HA ILE 6 -4.069 1.279 0.626
44 HB ILE 6 HB ILE 6 -6.244 1.124 2.757
45 1HG1 ILE 6 1HG1 ILE 6 -5.506 3.878 1.834
46 2HG1 ILE 6 2HG1 ILE 6 -5.898 2.907 0.454
47 1HG2 ILE 6 1HG2 ILE 6 -3.625 2.709 3.044
48 2HG2 ILE 6 2HG2 ILE 6 -5.064 2.896 4.074
49 3HG2 ILE 6 3HG2 ILE 6 -4.187 1.363 4.068
50 1HD1 ILE 6 1HD1 ILE 6 -7.764 3.113 2.911
51 2HD1 ILE 6 2HD1 ILE 6 -7.879 4.143 1.461
52 3HD1 ILE 6 3HD1 ILE 6 -8.144 2.396 1.327
53 H THR 7 H THR 7 -5.312 -1.795 1.869
54 HA THR 7 HA THR 7 -2.882 -2.413 3.440
55 HB THR 7 HB THR 7 -5.136 -4.254 2.512
56 HG1 THR 7 HG1 THR 7 -5.187 -2.386 4.163
57 1HG2 THR 7 1HG2 THR 7 -4.385 -5.812 4.340
58 2HG2 THR 7 2HG2 THR 7 -3.173 -5.712 3.045
59 3HG2 THR 7 3HG2 THR 7 -2.911 -4.838 4.579
60 2HN AIB 8 HN AIB 8 -3.838 -3.262 0.097
61 1HB1 AIB 8 1HB1 AIB 8 -3.245 -2.936 -2.373
62 2HB1 AIB 8 2HB1 AIB 8 -2.144 -4.152 -3.031
63 3HB1 AIB 8 3HB1 AIB 8 -3.566 -4.662 -2.096
64 1HB2 AIB 8 1HB2 AIB 8 -2.006 -6.057 -0.572
65 2HB2 AIB 8 2HB2 AIB 8 -0.613 -5.511 -1.533
66 3HB2 AIB 8 3HB2 AIB 8 -0.609 -5.293 0.220
67 H LEU 9 H LEU 9 -2.203 -1.339 -0.647
68 HA LEU 9 HA LEU 9 0.411 -0.405 -1.780
69 1HB LEU 9 1HB LEU 9 -2.049 1.018 -0.663
70 2HB LEU 9 2HB LEU 9 -0.614 1.897 -1.119
71 HG LEU 9 HG LEU 9 -1.969 0.022 -3.142
72 1HD1 LEU 9 1HD1 LEU 9 -2.659 2.992 -2.715
73 2HD1 LEU 9 2HD1 LEU 9 -3.194 1.976 -4.079
74 3HD1 LEU 9 3HD1 LEU 9 -3.739 1.603 -2.434
75 1HD2 LEU 9 1HD2 LEU 9 0.372 0.806 -3.702
76 2HD2 LEU 9 2HD2 LEU 9 -0.825 1.462 -4.834
77 3HD2 LEU 9 3HD2 LEU 9 -0.158 2.495 -3.540
78 2HN AIB 10 HN AIB 10 -0.520 -1.295 1.435
79 1HB1 AIB 10 1HB1 AIB 10 0.122 -2.389 3.607
80 2HB1 AIB 10 2HB1 AIB 10 0.882 -1.362 4.823
81 3HB1 AIB 10 3HB1 AIB 10 -0.662 -0.891 4.090
82 1HB2 AIB 10 1HB2 AIB 10 0.090 1.339 3.367
83 2HB2 AIB 10 2HB2 AIB 10 1.608 1.026 4.241
84 3HB2 AIB 10 3HB2 AIB 10 1.650 1.590 2.568
85 HA HYP 11 HA HYP 11 4.920 -2.626 2.289
86 1HB HYP 11 1HB HYP 11 4.678 -4.713 0.474
87 2HB HYP 11 2HB HYP 11 4.359 -4.840 2.208
88 1HD HYP 11 1HD HYP 11 0.940 -3.172 1.363
89 2HD HYP 11 2HD HYP 11 1.603 -3.883 2.874
90 HOD HYP 11 HD1 HYP 11 1.199 -5.827 1.516
91 HG HYP 11 HG HYP 11 2.332 -4.414 -0.046
92 H GLN 12 H GLN 12 3.026 -1.005 -0.098
93 HA GLN 12 HA GLN 12 5.469 -0.638 -1.843
94 1HB GLN 12 1HB GLN 12 2.608 0.337 -2.452
95 2HB GLN 12 2HB GLN 12 4.011 0.457 -3.489
96 1HG GLN 12 1HG GLN 12 4.111 -2.122 -3.535
97 2HG GLN 12 2HG GLN 12 2.593 -2.114 -2.632
98 1HE2 GLN 12 1HE2 GLN 12 0.781 -1.791 -5.736
99 2HE2 GLN 12 2HE2 GLN 12 0.853 -2.386 -3.996
100 2HN AIB 13 HN AIB 13 4.581 0.625 0.888
101 1HB1 AIB 13 1HB1 AIB 13 4.656 1.898 2.882
102 2HB1 AIB 13 2HB1 AIB 13 5.755 3.282 3.072
103 3HB1 AIB 13 3HB1 AIB 13 4.182 3.445 2.262
104 1HB2 AIB 13 1HB2 AIB 13 4.673 4.168 0.064
105 2HB2 AIB 13 2HB2 AIB 13 6.206 4.634 0.854
106 3HB2 AIB 13 3HB2 AIB 13 6.231 3.803 -0.700
107 HA HYP 14 HA HYP 14 9.627 1.032 2.246
108 1HB HYP 14 1HB HYP 14 9.471 -1.764 2.757
109 2HB HYP 14 2HB HYP 14 9.400 -0.441 3.930
110 1HD HYP 14 1HD HYP 14 5.905 -0.519 1.913
111 2HD HYP 14 2HD HYP 14 6.088 0.517 3.312
112 HOD HYP 14 HD1 HYP 14 7.441 -0.318 5.004
113 HG HYP 14 HG HYP 14 7.195 -2.158 2.861
114 2HN AIB 15 HN AIB 15 7.838 -0.990 -0.176
115 1HB1 AIB 15 1HB1 AIB 15 7.375 -1.785 -2.500
116 2HB1 AIB 15 2HB1 AIB 15 8.582 -2.831 -3.254
117 3HB1 AIB 15 3HB1 AIB 15 7.869 -3.259 -1.681
118 1HB2 AIB 15 1HB2 AIB 15 10.047 -3.492 -0.485
119 2HB2 AIB 15 2HB2 AIB 15 10.785 -3.301 -2.102
120 3HB2 AIB 15 3HB2 AIB 15 11.352 -2.318 -0.749
121 HA PRO 16 HA PRO 16 10.782 1.431 -4.238
122 1HB PRO 16 1HB PRO 16 9.303 3.776 -3.937
123 2HB PRO 16 2HB PRO 16 8.881 2.462 -5.044
124 1HG PRO 16 1HG PRO 16 7.685 3.119 -2.357
125 2HG PRO 16 2HG PRO 16 6.892 2.435 -3.787
126 1HD PRO 16 1HD PRO 16 7.813 1.006 -1.485
127 2HD PRO 16 2HD PRO 16 7.320 0.230 -2.973
128 H1 PHL 17 H1 PHL 17 12.786 1.712 0.577
129 H2 PHL 17 H2 PHL 17 11.453 2.233 1.621
130 HO PHL 17 HO PHL 17 13.838 3.683 1.091
131 HA PHL 17 HA PHL 17 12.542 3.887 -0.721
132 2HN PHL 17 2HN PHL 17 10.037 2.074 -0.877
133 1HB PHL 17 1HB PHL 17 9.907 4.135 0.824
134 2HB PHL 17 2HB PHL 17 11.303 5.186 1.011
135 HD1 PHL 17 HD1 PHL 17 12.198 6.205 -1.425
136 HD2 PHL 17 HD2 PHL 17 8.166 5.017 -0.556
137 HE1 PHL 17 HE1 PHL 17 11.376 7.656 -3.235
138 HE2 PHL 17 HE2 PHL 17 7.351 6.475 -2.362
139 HZ PHL 17 HZ PHL 17 8.951 7.808 -3.697
Start of MODEL 11
1 1H ACE 1 H1 ACE 1 -13.658 -2.392 -1.657
2 2H ACE 1 H2 ACE 1 -12.287 -3.361 -2.246
3 3H ACE 1 H3 ACE 1 -12.715 -3.402 -0.518
4 H TRP 2 H TRP 2 -13.106 -0.708 -0.036
5 HA TRP 2 HA TRP 2 -10.823 0.983 -0.892
6 1HB TRP 2 1HB TRP 2 -13.069 1.304 1.170
7 2HB TRP 2 2HB TRP 2 -11.683 2.330 1.331
8 HD1 TRP 2 HD1 TRP 2 -14.066 1.405 -1.722
9 HE1 TRP 2 HE1 TRP 2 -14.706 3.600 -3.042
10 HE3 TRP 2 HE3 TRP 2 -11.264 4.621 1.099
11 HZ2 TRP 2 HZ2 TRP 2 -14.049 6.361 -2.680
12 HZ3 TRP 2 HZ3 TRP 2 -11.363 7.037 0.600
13 HH2 TRP 2 HH2 TRP 2 -12.736 7.895 -1.253
14 H ILE 3 H ILE 3 -11.452 -0.610 2.274
15 HA ILE 3 HA ILE 3 -8.757 0.025 3.271
16 HB ILE 3 HB ILE 3 -10.676 -2.144 4.313
17 1HG1 ILE 3 1HG1 ILE 3 -10.351 0.571 5.723
18 2HG1 ILE 3 2HG1 ILE 3 -11.485 0.442 4.403
19 1HG2 ILE 3 1HG2 ILE 3 -8.261 -0.848 5.746
20 2HG2 ILE 3 2HG2 ILE 3 -9.429 -1.941 6.528
21 3HG2 ILE 3 3HG2 ILE 3 -8.398 -2.547 5.228
22 1HD1 ILE 3 1HD1 ILE 3 -11.638 -1.334 6.920
23 2HD1 ILE 3 2HD1 ILE 3 -12.644 0.086 6.554
24 3HD1 ILE 3 3HD1 ILE 3 -12.765 -1.371 5.540
25 H GLN 4 H GLN 4 -9.985 -2.809 1.558
26 HA GLN 4 HA GLN 4 -7.513 -4.366 1.692
27 1HB GLN 4 1HB GLN 4 -10.098 -4.841 0.704
28 2HB GLN 4 2HB GLN 4 -9.244 -4.671 -0.800
29 1HG GLN 4 1HG GLN 4 -7.747 -6.542 -0.272
30 2HG GLN 4 2HG GLN 4 -8.165 -6.520 1.430
31 1HE2 GLN 4 1HE2 GLN 4 -11.072 -8.590 1.026
32 2HE2 GLN 4 2HE2 GLN 4 -10.119 -7.473 2.124
33 2HN DIV 5 HN DIV 5 -8.496 -1.806 -0.559
34 1HB1 DIV 5 1HB1 DIV 5 -5.456 -1.614 -3.386
35 2HB1 DIV 5 2HB1 DIV 5 -5.624 -3.071 -2.500
36 1HG1 DIV 5 1HG1 DIV 5 -7.656 -1.942 -4.519
37 2HG1 DIV 5 2HG1 DIV 5 -6.643 -3.386 -4.678
38 3HG1 DIV 5 3HG1 DIV 5 -7.982 -3.370 -3.498
39 1HB2 DIV 5 1HB2 DIV 5 -8.004 0.487 -1.515
40 2HB2 DIV 5 2HB2 DIV 5 -6.997 0.485 -2.970
41 3HB2 DIV 5 3HB2 DIV 5 -8.443 -0.539 -2.878
42 H ILE 6 H ILE 6 -6.768 0.077 0.477
43 HA ILE 6 HA ILE 6 -3.996 1.171 0.464
44 HB ILE 6 HB ILE 6 -6.059 1.117 2.708
45 1HG1 ILE 6 1HG1 ILE 6 -5.381 3.723 1.235
46 2HG1 ILE 6 2HG1 ILE 6 -6.370 2.591 0.367
47 1HG2 ILE 6 1HG2 ILE 6 -3.459 2.784 2.589
48 2HG2 ILE 6 2HG2 ILE 6 -4.781 3.071 3.739
49 3HG2 ILE 6 3HG2 ILE 6 -3.890 1.550 3.796
50 1HD1 ILE 6 1HD1 ILE 6 -7.085 3.673 3.167
51 2HD1 ILE 6 2HD1 ILE 6 -7.815 4.159 1.617
52 3HD1 ILE 6 3HD1 ILE 6 -8.056 2.509 2.236
53 H THR 7 H THR 7 -5.283 -1.865 1.600
54 HA THR 7 HA THR 7 -2.914 -2.563 3.281
55 HB THR 7 HB THR 7 -5.205 -4.328 2.288
56 HG1 THR 7 HG1 THR 7 -5.615 -2.614 3.794
57 1HG2 THR 7 1HG2 THR 7 -4.528 -5.928 4.108
58 2HG2 THR 7 2HG2 THR 7 -3.304 -5.836 2.826
59 3HG2 THR 7 3HG2 THR 7 -3.031 -5.001 4.379
60 2HN AIB 8 HN AIB 8 -3.940 -3.433 -0.041
61 1HB1 AIB 8 1HB1 AIB 8 -3.339 -2.971 -2.524
62 2HB1 AIB 8 2HB1 AIB 8 -2.248 -4.170 -3.232
63 3HB1 AIB 8 3HB1 AIB 8 -3.670 -4.705 -2.310
64 1HB2 AIB 8 1HB2 AIB 8 -2.142 -6.153 -0.819
65 2HB2 AIB 8 2HB2 AIB 8 -0.744 -5.613 -1.773
66 3HB2 AIB 8 3HB2 AIB 8 -0.728 -5.438 -0.014
67 H LEU 9 H LEU 9 -2.247 -1.428 -0.788
68 HA LEU 9 HA LEU 9 0.389 -0.551 -1.923
69 1HB LEU 9 1HB LEU 9 -2.072 0.921 -0.880
70 2HB LEU 9 2HB LEU 9 -0.613 1.772 -1.305
71 HG LEU 9 HG LEU 9 -1.901 -0.110 -3.356
72 1HD1 LEU 9 1HD1 LEU 9 -2.669 2.840 -2.933
73 2HD1 LEU 9 2HD1 LEU 9 -3.113 1.841 -4.340
74 3HD1 LEU 9 3HD1 LEU 9 -3.729 1.422 -2.733
75 1HD2 LEU 9 1HD2 LEU 9 0.443 0.706 -3.834
76 2HD2 LEU 9 2HD2 LEU 9 -0.720 1.350 -5.008
77 3HD2 LEU 9 3HD2 LEU 9 -0.114 2.387 -3.691
78 2HN AIB 10 HN AIB 10 -0.581 -1.381 1.290
79 1HB1 AIB 10 1HB1 AIB 10 0.027 -2.453 3.449
80 2HB1 AIB 10 2HB1 AIB 10 0.814 -1.456 4.676
81 3HB1 AIB 10 3HB1 AIB 10 -0.730 -0.951 3.966
82 1HB2 AIB 10 1HB2 AIB 10 -0.009 1.278 3.180
83 2HB2 AIB 10 2HB2 AIB 10 1.493 0.986 4.091
84 3HB2 AIB 10 3HB2 AIB 10 1.566 1.523 2.409
85 HA HYP 11 HA HYP 11 4.878 -2.645 2.254
86 1HB HYP 11 1HB HYP 11 4.699 -4.736 0.429
87 2HB HYP 11 2HB HYP 11 4.373 -4.867 2.157
88 1HD HYP 11 1HD HYP 11 0.923 -3.264 1.275
89 2HD HYP 11 2HD HYP 11 1.597 -3.942 2.798
90 HOD HYP 11 HD1 HYP 11 1.223 -5.938 1.336
91 HG HYP 11 HG HYP 11 2.355 -4.490 -0.112
92 H GLN 12 H GLN 12 3.031 -1.041 -0.159
93 HA GLN 12 HA GLN 12 5.504 -0.643 -1.857
94 1HB GLN 12 1HB GLN 12 2.642 0.290 -2.533
95 2HB GLN 12 2HB GLN 12 4.067 0.415 -3.540
96 1HG GLN 12 1HG GLN 12 4.193 -2.156 -3.558
97 2HG GLN 12 2HG GLN 12 2.654 -2.163 -2.694
98 1HE2 GLN 12 1HE2 GLN 12 0.920 -1.950 -5.845
99 2HE2 GLN 12 2HE2 GLN 12 0.993 -2.545 -4.104
100 2HN AIB 13 HN AIB 13 4.558 0.603 0.847
101 1HB1 AIB 13 1HB1 AIB 13 4.539 1.896 2.833
102 2HB1 AIB 13 2HB1 AIB 13 5.639 3.273 3.059
103 3HB1 AIB 13 3HB1 AIB 13 4.092 3.451 2.208
104 1HB2 AIB 13 1HB2 AIB 13 4.622 4.155 0.010
105 2HB2 AIB 13 2HB2 AIB 13 6.123 4.646 0.839
106 3HB2 AIB 13 3HB2 AIB 13 6.207 3.805 -0.710
107 HA HYP 14 HA HYP 14 9.543 1.058 2.328
108 1HB HYP 14 1HB HYP 14 9.382 -1.738 2.833
109 2HB HYP 14 2HB HYP 14 9.284 -0.418 4.008
110 1HD HYP 14 1HD HYP 14 5.831 -0.507 1.908
111 2HD HYP 14 2HD HYP 14 5.985 0.538 3.310
112 HOD HYP 14 HD1 HYP 14 7.302 -0.290 5.031
113 HG HYP 14 HG HYP 14 7.104 -2.137 2.891
114 2HN AIB 15 HN AIB 15 7.831 -0.970 -0.141
115 1HB1 AIB 15 1HB1 AIB 15 7.427 -1.800 -2.467
116 2HB1 AIB 15 2HB1 AIB 15 8.666 -2.833 -3.186
117 3HB1 AIB 15 3HB1 AIB 15 7.923 -3.266 -1.631
118 1HB2 AIB 15 1HB2 AIB 15 10.085 -3.456 -0.372
119 2HB2 AIB 15 2HB2 AIB 15 10.843 -3.278 -1.978
120 3HB2 AIB 15 3HB2 AIB 15 11.375 -2.266 -0.630
121 HA PRO 16 HA PRO 16 10.817 1.459 -4.150
122 1HB PRO 16 1HB PRO 16 9.336 3.800 -3.844
123 2HB PRO 16 2HB PRO 16 8.916 2.500 -4.964
124 1HG PRO 16 1HG PRO 16 7.734 3.120 -2.258
125 2HG PRO 16 2HG PRO 16 6.923 2.480 -3.698
126 1HD PRO 16 1HD PRO 16 7.814 0.991 -1.435
127 2HD PRO 16 2HD PRO 16 7.353 0.242 -2.948
128 H1 PHL 17 H1 PHL 17 12.733 1.737 0.721
129 H2 PHL 17 H2 PHL 17 11.348 2.252 1.703
130 HO PHL 17 HO PHL 17 13.814 3.608 1.363
131 HA PHL 17 HA PHL 17 12.528 3.914 -0.591
132 2HN PHL 17 2HN PHL 17 10.019 2.107 -0.799
133 1HB PHL 17 1HB PHL 17 9.868 4.157 0.913
134 2HB PHL 17 2HB PHL 17 11.247 5.230 1.097
135 HD1 PHL 17 HD1 PHL 17 12.123 6.136 -1.471
136 HD2 PHL 17 HD2 PHL 17 8.106 5.123 -0.341
137 HE1 PHL 17 HE1 PHL 17 11.244 7.556 -3.283
138 HE2 PHL 17 HE2 PHL 17 7.240 6.536 -2.155
139 HZ PHL 17 HZ PHL 17 8.805 7.771 -3.619
Start of MODEL 12
1 1H ACE 1 H1 ACE 1 -13.714 -2.407 -1.127
2 2H ACE 1 H2 ACE 1 -12.450 -3.460 -1.808
3 3H ACE 1 H3 ACE 1 -12.620 -3.306 -0.044
4 H TRP 2 H TRP 2 -12.939 -0.563 0.160
5 HA TRP 2 HA TRP 2 -10.579 0.864 -0.998
6 1HB TRP 2 1HB TRP 2 -12.774 1.979 -0.301
7 2HB TRP 2 2HB TRP 2 -12.292 1.818 1.365
8 HD1 TRP 2 HD1 TRP 2 -9.070 2.936 0.887
9 HE1 TRP 2 HE1 TRP 2 -8.670 5.493 0.530
10 HE3 TRP 2 HE3 TRP 2 -13.862 4.079 -0.494
11 HZ2 TRP 2 HZ2 TRP 2 -10.392 7.666 -0.111
12 HZ3 TRP 2 HZ3 TRP 2 -14.434 6.446 -0.900
13 HH2 TRP 2 HH2 TRP 2 -12.727 8.212 -0.710
14 H ILE 3 H ILE 3 -11.330 -0.555 2.245
15 HA ILE 3 HA ILE 3 -8.576 -0.135 3.190
16 HB ILE 3 HB ILE 3 -10.519 -0.333 4.767
17 1HG1 ILE 3 1HG1 ILE 3 -9.371 -1.700 6.561
18 2HG1 ILE 3 2HG1 ILE 3 -8.173 -2.214 5.392
19 1HG2 ILE 3 1HG2 ILE 3 -10.432 -3.381 4.336
20 2HG2 ILE 3 2HG2 ILE 3 -11.403 -2.493 5.528
21 3HG2 ILE 3 3HG2 ILE 3 -11.733 -2.295 3.800
22 1HD1 ILE 3 1HD1 ILE 3 -8.722 0.714 6.246
23 2HD1 ILE 3 2HD1 ILE 3 -7.370 -0.303 6.798
24 3HD1 ILE 3 3HD1 ILE 3 -7.446 0.216 5.102
25 H GLN 4 H GLN 4 -9.971 -2.820 1.391
26 HA GLN 4 HA GLN 4 -7.543 -4.493 1.473
27 1HB GLN 4 1HB GLN 4 -9.951 -5.143 0.624
28 2HB GLN 4 2HB GLN 4 -9.509 -4.375 -0.892
29 1HG GLN 4 1HG GLN 4 -7.537 -5.986 -1.096
30 2HG GLN 4 2HG GLN 4 -7.958 -6.675 0.469
31 1HE2 GLN 4 1HE2 GLN 4 -9.524 -9.153 -1.630
32 2HE2 GLN 4 2HE2 GLN 4 -8.015 -8.676 -0.708
33 2HN DIV 5 HN DIV 5 -8.480 -1.788 -0.709
34 1HB1 DIV 5 1HB1 DIV 5 -5.436 -1.615 -3.509
35 2HB1 DIV 5 2HB1 DIV 5 -5.646 -3.067 -2.627
36 1HG1 DIV 5 1HG1 DIV 5 -7.689 -1.892 -4.609
37 2HG1 DIV 5 2HG1 DIV 5 -6.705 -3.352 -4.793
38 3HG1 DIV 5 3HG1 DIV 5 -8.010 -3.318 -3.581
39 1HB2 DIV 5 1HB2 DIV 5 -7.940 0.537 -1.582
40 2HB2 DIV 5 2HB2 DIV 5 -7.027 0.483 -3.099
41 3HB2 DIV 5 3HB2 DIV 5 -8.473 -0.522 -2.885
42 H ILE 6 H ILE 6 -6.704 0.164 0.334
43 HA ILE 6 HA ILE 6 -3.913 1.134 0.358
44 HB ILE 6 HB ILE 6 -6.006 1.207 2.586
45 1HG1 ILE 6 1HG1 ILE 6 -6.834 2.491 0.690
46 2HG1 ILE 6 2HG1 ILE 6 -6.437 3.547 2.018
47 1HG2 ILE 6 1HG2 ILE 6 -3.338 2.736 2.485
48 2HG2 ILE 6 2HG2 ILE 6 -4.676 3.108 3.600
49 3HG2 ILE 6 3HG2 ILE 6 -3.861 1.543 3.695
50 1HD1 ILE 6 1HD1 ILE 6 -4.726 3.194 -0.540
51 2HD1 ILE 6 2HD1 ILE 6 -5.782 4.568 -0.142
52 3HD1 ILE 6 3HD1 ILE 6 -4.315 4.279 0.816
53 H THR 7 H THR 7 -5.311 -1.826 1.633
54 HA THR 7 HA THR 7 -2.897 -2.589 3.205
55 HB THR 7 HB THR 7 -5.267 -4.264 2.255
56 HG1 THR 7 HG1 THR 7 -5.572 -2.642 3.844
57 1HG2 THR 7 1HG2 THR 7 -4.575 -5.970 3.960
58 2HG2 THR 7 2HG2 THR 7 -3.422 -5.880 2.612
59 3HG2 THR 7 3HG2 THR 7 -3.014 -5.138 4.184
60 2HN AIB 8 HN AIB 8 -3.944 -3.401 -0.125
61 1HB1 AIB 8 1HB1 AIB 8 -3.355 -3.045 -2.604
62 2HB1 AIB 8 2HB1 AIB 8 -2.286 -4.278 -3.291
63 3HB1 AIB 8 3HB1 AIB 8 -3.711 -4.768 -2.348
64 1HB2 AIB 8 1HB2 AIB 8 -2.221 -6.207 -0.837
65 2HB2 AIB 8 2HB2 AIB 8 -0.807 -5.723 -1.798
66 3HB2 AIB 8 3HB2 AIB 8 -0.792 -5.510 -0.044
67 H LEU 9 H LEU 9 -2.212 -1.489 -0.891
68 HA LEU 9 HA LEU 9 0.470 -0.685 -2.014
69 1HB LEU 9 1HB LEU 9 -2.002 0.859 -1.107
70 2HB LEU 9 2HB LEU 9 -0.524 1.672 -1.534
71 HG LEU 9 HG LEU 9 -1.765 -0.297 -3.535
72 1HD1 LEU 9 1HD1 LEU 9 -2.588 2.652 -3.264
73 2HD1 LEU 9 2HD1 LEU 9 -2.982 1.577 -4.630
74 3HD1 LEU 9 3HD1 LEU 9 -3.626 1.227 -3.021
75 1HD2 LEU 9 1HD2 LEU 9 0.582 0.529 -3.990
76 2HD2 LEU 9 2HD2 LEU 9 -0.561 1.086 -5.223
77 3HD2 LEU 9 3HD2 LEU 9 -0.005 2.204 -3.951
78 2HN AIB 10 HN AIB 10 -0.614 -1.407 1.182
79 1HB1 AIB 10 1HB1 AIB 10 -0.024 -2.476 3.381
80 2HB1 AIB 10 2HB1 AIB 10 0.729 -1.449 4.605
81 3HB1 AIB 10 3HB1 AIB 10 -0.806 -0.976 3.861
82 1HB2 AIB 10 1HB2 AIB 10 -0.100 1.238 3.080
83 2HB2 AIB 10 2HB2 AIB 10 1.395 0.975 4.009
84 3HB2 AIB 10 3HB2 AIB 10 1.478 1.506 2.325
85 HA HYP 11 HA HYP 11 4.838 -2.656 2.306
86 1HB HYP 11 1HB HYP 11 4.732 -4.776 0.523
87 2HB HYP 11 2HB HYP 11 4.302 -4.878 2.231
88 1HD HYP 11 1HD HYP 11 0.917 -3.281 1.174
89 2HD HYP 11 2HD HYP 11 1.516 -3.967 2.721
90 HOD HYP 11 HD1 HYP 11 1.290 -5.868 1.663
91 HG HYP 11 HG HYP 11 2.413 -4.496 -0.151
92 H GLN 12 H GLN 12 3.046 -1.122 -0.204
93 HA GLN 12 HA GLN 12 5.560 -0.734 -1.839
94 1HB GLN 12 1HB GLN 12 2.701 0.128 -2.619
95 2HB GLN 12 2HB GLN 12 4.153 0.254 -3.590
96 1HG GLN 12 1HG GLN 12 4.325 -2.325 -3.528
97 2HG GLN 12 2HG GLN 12 2.758 -2.325 -2.712
98 1HE2 GLN 12 1HE2 GLN 12 1.103 -2.165 -5.915
99 2HE2 GLN 12 2HE2 GLN 12 1.107 -2.700 -4.152
100 2HN AIB 13 HN AIB 13 4.503 0.576 0.809
101 1HB1 AIB 13 1HB1 AIB 13 4.431 1.909 2.763
102 2HB1 AIB 13 2HB1 AIB 13 5.475 3.332 2.968
103 3HB1 AIB 13 3HB1 AIB 13 3.946 3.422 2.071
104 1HB2 AIB 13 1HB2 AIB 13 4.542 4.097 -0.124
105 2HB2 AIB 13 2HB2 AIB 13 6.011 4.631 0.742
106 3HB2 AIB 13 3HB2 AIB 13 6.155 3.756 -0.783
107 HA HYP 14 HA HYP 14 9.456 1.167 2.420
108 1HB HYP 14 1HB HYP 14 9.343 -1.615 2.992
109 2HB HYP 14 2HB HYP 14 9.179 -0.269 4.130
110 1HD HYP 14 1HD HYP 14 5.803 -0.500 1.922
111 2HD HYP 14 2HD HYP 14 5.871 0.576 3.304
112 HOD HYP 14 HD1 HYP 14 7.136 -0.156 5.085
113 HG HYP 14 HG HYP 14 7.077 -2.071 2.992
114 2HN AIB 15 HN AIB 15 7.850 -0.963 -0.041
115 1HB1 AIB 15 1HB1 AIB 15 7.539 -1.837 -2.363
116 2HB1 AIB 15 2HB1 AIB 15 8.817 -2.860 -3.026
117 3HB1 AIB 15 3HB1 AIB 15 8.031 -3.279 -1.488
118 1HB2 AIB 15 1HB2 AIB 15 10.133 -3.414 -0.160
119 2HB2 AIB 15 2HB2 AIB 15 10.964 -3.243 -1.732
120 3HB2 AIB 15 3HB2 AIB 15 11.419 -2.210 -0.371
121 HA PRO 16 HA PRO 16 10.935 1.439 -4.004
122 1HB PRO 16 1HB PRO 16 9.395 3.752 -3.826
123 2HB PRO 16 2HB PRO 16 9.044 2.409 -4.919
124 1HG PRO 16 1HG PRO 16 7.749 3.086 -2.278
125 2HG PRO 16 2HG PRO 16 7.003 2.389 -3.727
126 1HD PRO 16 1HD PRO 16 7.843 0.983 -1.390
127 2HD PRO 16 2HD PRO 16 7.448 0.183 -2.893
128 H1 PHL 17 H1 PHL 17 12.633 1.879 0.932
129 H2 PHL 17 H2 PHL 17 11.242 2.445 1.872
130 HO PHL 17 HO PHL 17 13.669 3.853 1.434
131 HA PHL 17 HA PHL 17 12.458 4.021 -0.462
132 2HN PHL 17 2HN PHL 17 10.007 2.141 -0.697
133 1HB PHL 17 1HB PHL 17 9.742 4.249 0.932
134 2HB PHL 17 2HB PHL 17 11.092 5.357 1.139
135 HD1 PHL 17 HD1 PHL 17 8.017 5.102 -0.449
136 HD2 PHL 17 HD2 PHL 17 12.049 6.254 -1.383
137 HE1 PHL 17 HE1 PHL 17 7.199 6.444 -2.338
138 HE2 PHL 17 HE2 PHL 17 11.217 7.602 -3.268
139 HZ PHL 17 HZ PHL 17 8.793 7.711 -3.741
Start of MODEL 13
1 1H ACE 1 H1 ACE 1 -13.390 -2.756 -1.396
2 2H ACE 1 H2 ACE 1 -11.902 -3.531 -1.999
3 3H ACE 1 H3 ACE 1 -12.266 -3.551 -0.255
4 H TRP 2 H TRP 2 -12.908 -1.082 0.378
5 HA TRP 2 HA TRP 2 -10.957 0.945 -0.659
6 1HB TRP 2 1HB TRP 2 -12.725 1.178 1.852
7 2HB TRP 2 2HB TRP 2 -11.755 2.457 1.165
8 HD1 TRP 2 HD1 TRP 2 -15.165 0.795 0.844
9 HE1 TRP 2 HE1 TRP 2 -16.725 2.080 -0.850
10 HE3 TRP 2 HE3 TRP 2 -11.521 3.765 -1.169
11 HZ2 TRP 2 HZ2 TRP 2 -16.255 4.151 -2.756
12 HZ3 TRP 2 HZ3 TRP 2 -12.155 5.413 -2.905
13 HH2 TRP 2 HH2 TRP 2 -14.483 5.607 -3.677
14 H ILE 3 H ILE 3 -11.293 -0.751 2.518
15 HA ILE 3 HA ILE 3 -8.460 -0.124 3.204
16 HB ILE 3 HB ILE 3 -8.633 -1.673 5.128
17 1HG1 ILE 3 1HG1 ILE 3 -11.658 -1.940 4.628
18 2HG1 ILE 3 2HG1 ILE 3 -10.523 -3.157 4.088
19 1HG2 ILE 3 1HG2 ILE 3 -10.803 0.502 5.133
20 2HG2 ILE 3 2HG2 ILE 3 -9.993 -0.202 6.554
21 3HG2 ILE 3 3HG2 ILE 3 -9.058 0.751 5.391
22 1HD1 ILE 3 1HD1 ILE 3 -10.835 -2.348 7.044
23 2HD1 ILE 3 2HD1 ILE 3 -11.495 -3.803 6.267
24 3HD1 ILE 3 3HD1 ILE 3 -9.737 -3.600 6.408
25 H GLN 4 H GLN 4 -9.947 -2.728 1.420
26 HA GLN 4 HA GLN 4 -7.601 -4.510 1.447
27 1HB GLN 4 1HB GLN 4 -9.999 -5.052 0.545
28 2HB GLN 4 2HB GLN 4 -9.578 -4.138 -0.881
29 1HG GLN 4 1HG GLN 4 -9.179 -6.339 -1.538
30 2HG GLN 4 2HG GLN 4 -7.557 -5.789 -1.193
31 1HE2 GLN 4 1HE2 GLN 4 -8.844 -9.056 0.773
32 2HE2 GLN 4 2HE2 GLN 4 -9.653 -8.319 -0.698
33 2HN DIV 5 HN DIV 5 -8.460 -1.717 -0.711
34 1HB1 DIV 5 1HB1 DIV 5 -5.233 -1.467 -3.302
35 2HB1 DIV 5 2HB1 DIV 5 -5.478 -2.934 -2.449
36 1HG1 DIV 5 1HG1 DIV 5 -7.387 -1.780 -4.558
37 2HG1 DIV 5 2HG1 DIV 5 -6.351 -3.216 -4.696
38 3HG1 DIV 5 3HG1 DIV 5 -7.737 -3.238 -3.583
39 1HB2 DIV 5 1HB2 DIV 5 -7.969 0.554 -1.501
40 2HB2 DIV 5 2HB2 DIV 5 -6.905 0.623 -2.919
41 3HB2 DIV 5 3HB2 DIV 5 -8.324 -0.444 -2.915
42 H ILE 6 H ILE 6 -6.834 -0.008 0.602
43 HA ILE 6 HA ILE 6 -4.142 1.194 0.703
44 HB ILE 6 HB ILE 6 -6.497 1.853 2.000
45 1HG1 ILE 6 1HG1 ILE 6 -4.867 3.405 3.451
46 2HG1 ILE 6 2HG1 ILE 6 -3.613 2.726 2.432
47 1HG2 ILE 6 1HG2 ILE 6 -4.814 0.828 4.344
48 2HG2 ILE 6 2HG2 ILE 6 -6.370 1.686 4.397
49 3HG2 ILE 6 3HG2 ILE 6 -6.285 0.040 3.751
50 1HD1 ILE 6 1HD1 ILE 6 -6.129 4.262 1.466
51 2HD1 ILE 6 2HD1 ILE 6 -4.458 4.855 1.470
52 3HD1 ILE 6 3HD1 ILE 6 -4.929 3.541 0.365
53 H THR 7 H THR 7 -5.286 -1.899 1.682
54 HA THR 7 HA THR 7 -2.886 -2.532 3.324
55 HB THR 7 HB THR 7 -5.194 -4.346 2.437
56 HG1 THR 7 HG1 THR 7 -5.551 -2.675 3.975
57 1HG2 THR 7 1HG2 THR 7 -4.387 -5.939 4.231
58 2HG2 THR 7 2HG2 THR 7 -3.274 -5.863 2.850
59 3HG2 THR 7 3HG2 THR 7 -2.874 -5.005 4.362
60 2HN AIB 8 HN AIB 8 -3.922 -3.489 0.023
61 1HB1 AIB 8 1HB1 AIB 8 -3.317 -3.231 -2.476
62 2HB1 AIB 8 2HB1 AIB 8 -2.203 -4.464 -3.090
63 3HB1 AIB 8 3HB1 AIB 8 -3.615 -4.949 -2.128
64 1HB2 AIB 8 1HB2 AIB 8 -2.102 -6.245 -0.522
65 2HB2 AIB 8 2HB2 AIB 8 -0.690 -5.785 -1.497
66 3HB2 AIB 8 3HB2 AIB 8 -0.701 -5.469 0.237
67 H LEU 9 H LEU 9 -2.233 -1.503 -0.809
68 HA LEU 9 HA LEU 9 0.481 -0.759 -1.930
69 1HB LEU 9 1HB LEU 9 -2.050 0.803 -1.233
70 2HB LEU 9 2HB LEU 9 -0.552 1.613 -1.618
71 HG LEU 9 HG LEU 9 -1.582 -0.511 -3.563
72 1HD1 LEU 9 1HD1 LEU 9 -2.629 2.378 -3.537
73 2HD1 LEU 9 2HD1 LEU 9 -2.872 1.175 -4.832
74 3HD1 LEU 9 3HD1 LEU 9 -3.565 0.891 -3.233
75 1HD2 LEU 9 1HD2 LEU 9 0.734 0.436 -3.911
76 2HD2 LEU 9 2HD2 LEU 9 -0.342 0.845 -5.258
77 3HD2 LEU 9 3HD2 LEU 9 0.052 2.074 -4.028
78 2HN AIB 10 HN AIB 10 -0.572 -1.389 1.235
79 1HB1 AIB 10 1HB1 AIB 10 -0.036 -2.283 3.471
80 2HB1 AIB 10 2HB1 AIB 10 0.743 -1.228 4.654
81 3HB1 AIB 10 3HB1 AIB 10 -0.807 -0.775 3.943
82 1HB2 AIB 10 1HB2 AIB 10 -0.153 1.421 3.047
83 2HB2 AIB 10 2HB2 AIB 10 1.344 1.207 3.978
84 3HB2 AIB 10 3HB2 AIB 10 1.424 1.671 2.280
85 HA HYP 11 HA HYP 11 4.785 -2.511 2.436
86 1HB HYP 11 1HB HYP 11 4.700 -4.682 0.722
87 2HB HYP 11 2HB HYP 11 4.192 -4.749 2.414
88 1HD HYP 11 1HD HYP 11 0.877 -3.122 1.273
89 2HD HYP 11 2HD HYP 11 1.480 -3.803 2.823
90 HOD HYP 11 HD1 HYP 11 1.774 -5.701 2.321
91 HG HYP 11 HG HYP 11 2.423 -4.336 -0.047
92 H GLN 12 H GLN 12 3.021 -1.065 -0.158
93 HA GLN 12 HA GLN 12 5.545 -0.784 -1.808
94 1HB GLN 12 1HB GLN 12 2.685 0.041 -2.626
95 2HB GLN 12 2HB GLN 12 4.128 0.140 -3.617
96 1HG GLN 12 1HG GLN 12 4.317 -2.439 -3.438
97 2HG GLN 12 2HG GLN 12 2.766 -2.404 -2.593
98 1HE2 GLN 12 1HE2 GLN 12 1.061 -2.491 -5.754
99 2HE2 GLN 12 2HE2 GLN 12 1.140 -2.937 -3.966
100 2HN AIB 13 HN AIB 13 4.507 0.660 0.748
101 1HB1 AIB 13 1HB1 AIB 13 4.416 2.088 2.641
102 2HB1 AIB 13 2HB1 AIB 13 5.503 3.483 2.804
103 3HB1 AIB 13 3HB1 AIB 13 3.976 3.589 1.906
104 1HB2 AIB 13 1HB2 AIB 13 4.540 4.153 -0.298
105 2HB2 AIB 13 2HB2 AIB 13 6.031 4.700 0.523
106 3HB2 AIB 13 3HB2 AIB 13 6.138 3.776 -0.981
107 HA HYP 14 HA HYP 14 9.422 1.262 2.327
108 1HB HYP 14 1HB HYP 14 9.277 -1.503 3.006
109 2HB HYP 14 2HB HYP 14 9.158 -0.106 4.081
110 1HD HYP 14 1HD HYP 14 5.729 -0.344 1.946
111 2HD HYP 14 2HD HYP 14 5.882 0.810 3.259
112 HOD HYP 14 HD1 HYP 14 7.167 0.081 5.064
113 HG HYP 14 HG HYP 14 6.990 -1.898 3.042
114 2HN AIB 15 HN AIB 15 7.819 -0.946 -0.051
115 1HB1 AIB 15 1HB1 AIB 15 7.481 -1.924 -2.324
116 2HB1 AIB 15 2HB1 AIB 15 8.739 -2.995 -2.941
117 3HB1 AIB 15 3HB1 AIB 15 7.960 -3.325 -1.378
118 1HB2 AIB 15 1HB2 AIB 15 10.071 -3.413 -0.046
119 2HB2 AIB 15 2HB2 AIB 15 10.896 -3.337 -1.631
120 3HB2 AIB 15 3HB2 AIB 15 11.367 -2.238 -0.330
121 HA PRO 16 HA PRO 16 10.942 1.242 -4.108
122 1HB PRO 16 1HB PRO 16 9.437 3.586 -3.993
123 2HB PRO 16 2HB PRO 16 9.081 2.223 -5.058
124 1HG PRO 16 1HG PRO 16 7.754 2.992 -2.462
125 2HG PRO 16 2HG PRO 16 7.022 2.239 -3.890
126 1HD PRO 16 1HD PRO 16 7.840 0.948 -1.485
127 2HD PRO 16 2HD PRO 16 7.425 0.080 -2.944
128 H1 PHL 17 H1 PHL 17 12.612 1.935 0.879
129 H2 PHL 17 H2 PHL 17 11.154 2.484 1.709
130 HO PHL 17 HO PHL 17 13.639 3.235 2.054
131 HA PHL 17 HA PHL 17 12.455 3.977 -0.642
132 2HN PHL 17 2HN PHL 17 9.988 2.108 -0.848
133 1HB PHL 17 1HB PHL 17 9.710 4.307 0.659
134 2HB PHL 17 2HB PHL 17 11.055 5.422 0.830
135 HD1 PHL 17 HD1 PHL 17 7.991 5.207 -0.702
136 HD2 PHL 17 HD2 PHL 17 12.050 6.047 -1.820
137 HE1 PHL 17 HE1 PHL 17 7.195 6.400 -2.700
138 HE2 PHL 17 HE2 PHL 17 11.244 7.239 -3.817
139 HZ PHL 17 HZ PHL 17 8.820 7.412 -4.265
Start of MODEL 14
1 1H ACE 1 H1 ACE 1 -13.462 -2.432 -1.749
2 2H ACE 1 H2 ACE 1 -12.068 -3.384 -2.315
3 3H ACE 1 H3 ACE 1 -12.484 -3.377 -0.584
4 H TRP 2 H TRP 2 -12.901 -0.773 -0.060
5 HA TRP 2 HA TRP 2 -10.630 0.938 -0.980
6 1HB TRP 2 1HB TRP 2 -13.186 1.499 0.228
7 2HB TRP 2 2HB TRP 2 -12.064 1.945 1.463
8 HD1 TRP 2 HD1 TRP 2 -13.037 2.745 -2.221
9 HE1 TRP 2 HE1 TRP 2 -12.467 5.246 -2.834
10 HE3 TRP 2 HE3 TRP 2 -10.401 3.794 2.030
11 HZ2 TRP 2 HZ2 TRP 2 -11.059 7.323 -1.462
12 HZ3 TRP 2 HZ3 TRP 2 -9.517 6.083 2.346
13 HH2 TRP 2 HH2 TRP 2 -9.844 7.816 0.633
14 H ILE 3 H ILE 3 -11.425 -0.692 2.108
15 HA ILE 3 HA ILE 3 -8.744 -0.155 3.248
16 HB ILE 3 HB ILE 3 -10.654 -0.448 4.764
17 1HG1 ILE 3 1HG1 ILE 3 -8.475 -2.563 5.263
18 2HG1 ILE 3 2HG1 ILE 3 -8.313 -0.837 5.534
19 1HG2 ILE 3 1HG2 ILE 3 -10.758 -3.442 4.007
20 2HG2 ILE 3 2HG2 ILE 3 -11.725 -2.627 5.264
21 3HG2 ILE 3 3HG2 ILE 3 -11.968 -2.216 3.563
22 1HD1 ILE 3 1HD1 ILE 3 -10.196 -2.722 7.086
23 2HD1 ILE 3 2HD1 ILE 3 -8.726 -1.922 7.674
24 3HD1 ILE 3 3HD1 ILE 3 -10.166 -0.946 7.294
25 H GLN 4 H GLN 4 -10.023 -2.889 1.349
26 HA GLN 4 HA GLN 4 -7.565 -4.499 1.450
27 1HB GLN 4 1HB GLN 4 -9.891 -5.204 0.449
28 2HB GLN 4 2HB GLN 4 -9.441 -4.303 -0.988
29 1HG GLN 4 1HG GLN 4 -7.227 -5.840 -0.938
30 2HG GLN 4 2HG GLN 4 -8.101 -6.805 0.235
31 1HE2 GLN 4 1HE2 GLN 4 -9.722 -8.537 -2.474
32 2HE2 GLN 4 2HE2 GLN 4 -9.210 -8.481 -0.714
33 2HN DIV 5 HN DIV 5 -8.441 -1.730 -0.669
34 1HB1 DIV 5 1HB1 DIV 5 -5.313 -1.550 -3.382
35 2HB1 DIV 5 2HB1 DIV 5 -5.548 -2.995 -2.500
36 1HG1 DIV 5 1HG1 DIV 5 -7.505 -1.843 -4.577
37 2HG1 DIV 5 2HG1 DIV 5 -6.548 -3.328 -4.676
38 3HG1 DIV 5 3HG1 DIV 5 -7.903 -3.232 -3.525
39 1HB2 DIV 5 1HB2 DIV 5 -7.966 0.529 -1.512
40 2HB2 DIV 5 2HB2 DIV 5 -6.868 0.637 -2.900
41 3HB2 DIV 5 3HB2 DIV 5 -8.287 -0.419 -2.960
42 H ILE 6 H ILE 6 -6.728 0.131 0.477
43 HA ILE 6 HA ILE 6 -3.953 1.167 0.602
44 HB ILE 6 HB ILE 6 -6.101 1.105 2.779
45 1HG1 ILE 6 1HG1 ILE 6 -6.909 2.482 0.941
46 2HG1 ILE 6 2HG1 ILE 6 -6.520 3.483 2.309
47 1HG2 ILE 6 1HG2 ILE 6 -3.448 2.667 2.819
48 2HG2 ILE 6 2HG2 ILE 6 -4.818 2.972 3.913
49 3HG2 ILE 6 3HG2 ILE 6 -3.990 1.413 3.959
50 1HD1 ILE 6 1HD1 ILE 6 -4.776 3.213 -0.234
51 2HD1 ILE 6 2HD1 ILE 6 -5.823 4.581 0.199
52 3HD1 ILE 6 3HD1 ILE 6 -4.373 4.238 1.167
53 H THR 7 H THR 7 -5.317 -1.867 1.741
54 HA THR 7 HA THR 7 -2.930 -2.625 3.344
55 HB THR 7 HB THR 7 -5.239 -4.336 2.314
56 HG1 THR 7 HG1 THR 7 -5.541 -2.624 3.891
57 1HG2 THR 7 1HG2 THR 7 -4.581 -5.999 4.078
58 2HG2 THR 7 2HG2 THR 7 -3.355 -5.893 2.798
59 3HG2 THR 7 3HG2 THR 7 -3.062 -5.113 4.375
60 2HN AIB 8 HN AIB 8 -3.902 -3.420 -0.011
61 1HB1 AIB 8 1HB1 AIB 8 -3.292 -3.092 -2.480
62 2HB1 AIB 8 2HB1 AIB 8 -2.196 -4.314 -3.140
63 3HB1 AIB 8 3HB1 AIB 8 -3.620 -4.817 -2.203
64 1HB2 AIB 8 1HB2 AIB 8 -2.086 -6.217 -0.679
65 2HB2 AIB 8 2HB2 AIB 8 -0.684 -5.693 -1.636
66 3HB2 AIB 8 3HB2 AIB 8 -0.682 -5.472 0.116
67 H LEU 9 H LEU 9 -2.225 -1.500 -0.742
68 HA LEU 9 HA LEU 9 0.415 -0.614 -1.866
69 1HB LEU 9 1HB LEU 9 -2.047 0.869 -0.829
70 2HB LEU 9 2HB LEU 9 -0.590 1.713 -1.289
71 HG LEU 9 HG LEU 9 -1.960 -0.192 -3.273
72 1HD1 LEU 9 1HD1 LEU 9 -2.579 2.807 -2.966
73 2HD1 LEU 9 2HD1 LEU 9 -3.122 1.754 -4.297
74 3HD1 LEU 9 3HD1 LEU 9 -3.701 1.459 -2.651
75 1HD2 LEU 9 1HD2 LEU 9 0.409 0.516 -3.822
76 2HD2 LEU 9 2HD2 LEU 9 -0.752 1.157 -4.994
77 3HD2 LEU 9 3HD2 LEU 9 -0.082 2.219 -3.728
78 2HN AIB 10 HN AIB 10 -0.598 -1.411 1.358
79 1HB1 AIB 10 1HB1 AIB 10 0.070 -2.541 3.508
80 2HB1 AIB 10 2HB1 AIB 10 0.826 -1.523 4.734
81 3HB1 AIB 10 3HB1 AIB 10 -0.725 -1.059 4.016
82 1HB2 AIB 10 1HB2 AIB 10 -0.026 1.184 3.289
83 2HB2 AIB 10 2HB2 AIB 10 1.494 0.901 4.168
84 3HB2 AIB 10 3HB2 AIB 10 1.530 1.469 2.497
85 HA HYP 11 HA HYP 11 4.893 -2.676 2.292
86 1HB HYP 11 1HB HYP 11 4.729 -4.768 0.467
87 2HB HYP 11 2HB HYP 11 4.392 -4.903 2.193
88 1HD HYP 11 1HD HYP 11 0.932 -3.325 1.324
89 2HD HYP 11 2HD HYP 11 1.626 -4.005 2.834
90 HOD HYP 11 HD1 HYP 11 1.271 -5.959 1.500
91 HG HYP 11 HG HYP 11 2.381 -4.524 -0.084
92 H GLN 12 H GLN 12 3.027 -1.105 -0.135
93 HA GLN 12 HA GLN 12 5.493 -0.691 -1.836
94 1HB GLN 12 1HB GLN 12 2.612 0.182 -2.515
95 2HB GLN 12 2HB GLN 12 4.030 0.338 -3.527
96 1HG GLN 12 1HG GLN 12 4.216 -2.239 -3.535
97 2HG GLN 12 2HG GLN 12 2.683 -2.269 -2.657
98 1HE2 GLN 12 1HE2 GLN 12 0.911 -2.063 -5.789
99 2HE2 GLN 12 2HE2 GLN 12 0.976 -2.623 -4.037
100 2HN AIB 13 HN AIB 13 4.521 0.573 0.861
101 1HB1 AIB 13 1HB1 AIB 13 4.514 1.866 2.837
102 2HB1 AIB 13 2HB1 AIB 13 5.567 3.283 3.036
103 3HB1 AIB 13 3HB1 AIB 13 4.010 3.396 2.193
104 1HB2 AIB 13 1HB2 AIB 13 4.529 4.107 -0.017
105 2HB2 AIB 13 2HB2 AIB 13 6.014 4.630 0.827
106 3HB2 AIB 13 3HB2 AIB 13 6.128 3.789 -0.724
107 HA HYP 14 HA HYP 14 9.523 1.116 2.306
108 1HB HYP 14 1HB HYP 14 9.420 -1.675 2.823
109 2HB HYP 14 2HB HYP 14 9.302 -0.354 3.995
110 1HD HYP 14 1HD HYP 14 5.841 -0.521 1.912
111 2HD HYP 14 2HD HYP 14 5.979 0.529 3.312
112 HOD HYP 14 HD1 HYP 14 7.295 -0.262 5.026
113 HG HYP 14 HG HYP 14 7.154 -2.123 2.888
114 2HN AIB 15 HN AIB 15 7.825 -0.951 -0.139
115 1HB1 AIB 15 1HB1 AIB 15 7.434 -1.785 -2.474
116 2HB1 AIB 15 2HB1 AIB 15 8.684 -2.809 -3.185
117 3HB1 AIB 15 3HB1 AIB 15 7.941 -3.244 -1.631
118 1HB2 AIB 15 1HB2 AIB 15 10.092 -3.409 -0.377
119 2HB2 AIB 15 2HB2 AIB 15 10.869 -3.214 -1.974
120 3HB2 AIB 15 3HB2 AIB 15 11.373 -2.204 -0.613
121 HA PRO 16 HA PRO 16 10.788 1.516 -4.152
122 1HB PRO 16 1HB PRO 16 9.278 3.835 -3.863
123 2HB PRO 16 2HB PRO 16 8.863 2.516 -4.966
124 1HG PRO 16 1HG PRO 16 7.703 3.145 -2.250
125 2HG PRO 16 2HG PRO 16 6.876 2.505 -3.682
126 1HD PRO 16 1HD PRO 16 7.782 1.010 -1.436
127 2HD PRO 16 2HD PRO 16 7.338 0.261 -2.951
128 H1 PHL 17 H1 PHL 17 12.658 1.881 0.747
129 H2 PHL 17 H2 PHL 17 11.288 2.421 1.732
130 HO PHL 17 HO PHL 17 13.702 3.840 1.259
131 HA PHL 17 HA PHL 17 12.428 4.038 -0.614
132 2HN PHL 17 2HN PHL 17 9.973 2.159 -0.803
133 1HB PHL 17 1HB PHL 17 9.766 4.230 0.882
134 2HB PHL 17 2HB PHL 17 11.109 5.355 1.041
135 HD1 PHL 17 HD1 PHL 17 7.964 5.226 -0.264
136 HD2 PHL 17 HD2 PHL 17 11.926 6.172 -1.633
137 HE1 PHL 17 HE1 PHL 17 7.018 6.590 -2.074
138 HE2 PHL 17 HE2 PHL 17 10.965 7.546 -3.433
139 HZ PHL 17 HZ PHL 17 8.513 7.774 -3.649
Start of MODEL 15
1 1H ACE 1 H1 ACE 1 -13.303 -2.647 -1.660
2 2H ACE 1 H2 ACE 1 -11.792 -3.475 -2.131
3 3H ACE 1 H3 ACE 1 -12.307 -3.475 -0.424
4 H TRP 2 H TRP 2 -12.828 -1.080 0.278
5 HA TRP 2 HA TRP 2 -10.810 0.945 -0.602
6 1HB TRP 2 1HB TRP 2 -11.656 2.179 1.665
7 2HB TRP 2 2HB TRP 2 -12.404 2.298 0.123
8 HD1 TRP 2 HD1 TRP 2 -12.952 0.047 3.354
9 HE1 TRP 2 HE1 TRP 2 -15.507 -0.543 3.618
10 HE3 TRP 2 HE3 TRP 2 -14.554 2.497 -0.843
11 HZ2 TRP 2 HZ2 TRP 2 -17.828 0.065 2.058
12 HZ3 TRP 2 HZ3 TRP 2 -16.952 2.438 -1.413
13 HH2 TRP 2 HH2 TRP 2 -18.566 1.241 0.009
14 H ILE 3 H ILE 3 -11.273 -0.620 2.570
15 HA ILE 3 HA ILE 3 -8.428 -0.197 3.223
16 HB ILE 3 HB ILE 3 -10.080 -0.243 5.002
17 1HG1 ILE 3 1HG1 ILE 3 -8.062 -2.449 5.661
18 2HG1 ILE 3 2HG1 ILE 3 -7.505 -0.838 5.272
19 1HG2 ILE 3 1HG2 ILE 3 -10.293 -3.306 4.662
20 2HG2 ILE 3 2HG2 ILE 3 -10.948 -2.364 6.018
21 3HG2 ILE 3 3HG2 ILE 3 -11.593 -2.118 4.389
22 1HD1 ILE 3 1HD1 ILE 3 -9.466 -1.396 7.589
23 2HD1 ILE 3 2HD1 ILE 3 -7.708 -1.155 7.729
24 3HD1 ILE 3 3HD1 ILE 3 -8.739 0.177 7.160
25 H GLN 4 H GLN 4 -9.913 -2.931 1.569
26 HA GLN 4 HA GLN 4 -7.446 -4.575 1.543
27 1HB GLN 4 1HB GLN 4 -9.841 -4.473 -0.373
28 2HB GLN 4 2HB GLN 4 -8.415 -5.424 -0.748
29 1HG GLN 4 1HG GLN 4 -8.589 -6.714 1.364
30 2HG GLN 4 2HG GLN 4 -9.999 -5.791 1.865
31 1HE2 GLN 4 1HE2 GLN 4 -11.384 -8.915 0.477
32 2HE2 GLN 4 2HE2 GLN 4 -10.437 -8.306 1.923
33 2HN DIV 5 HN DIV 5 -8.500 -1.886 -0.654
34 1HB1 DIV 5 1HB1 DIV 5 -5.432 -1.649 -3.429
35 2HB1 DIV 5 2HB1 DIV 5 -5.612 -3.101 -2.532
36 1HG1 DIV 5 1HG1 DIV 5 -7.671 -1.963 -4.517
37 2HG1 DIV 5 2HG1 DIV 5 -6.686 -3.428 -4.675
38 3HG1 DIV 5 3HG1 DIV 5 -7.995 -3.369 -3.464
39 1HB2 DIV 5 1HB2 DIV 5 -8.015 0.424 -1.485
40 2HB2 DIV 5 2HB2 DIV 5 -6.955 0.527 -2.895
41 3HB2 DIV 5 3HB2 DIV 5 -8.372 -0.525 -2.920
42 H ILE 6 H ILE 6 -6.721 0.094 0.416
43 HA ILE 6 HA ILE 6 -3.964 1.159 0.375
44 HB ILE 6 HB ILE 6 -5.933 1.226 2.716
45 1HG1 ILE 6 1HG1 ILE 6 -5.404 3.516 0.703
46 2HG1 ILE 6 2HG1 ILE 6 -6.727 2.398 0.490
47 1HG2 ILE 6 1HG2 ILE 6 -3.383 2.910 2.204
48 2HG2 ILE 6 2HG2 ILE 6 -4.558 3.241 3.494
49 3HG2 ILE 6 3HG2 ILE 6 -3.635 1.746 3.524
50 1HD1 ILE 6 1HD1 ILE 6 -6.468 4.259 2.920
51 2HD1 ILE 6 2HD1 ILE 6 -7.587 4.411 1.549
52 3HD1 ILE 6 3HD1 ILE 6 -7.755 3.046 2.679
53 H THR 7 H THR 7 -5.250 -1.826 1.675
54 HA THR 7 HA THR 7 -2.792 -2.469 3.249
55 HB THR 7 HB THR 7 -5.161 -4.235 2.475
56 HG1 THR 7 HG1 THR 7 -5.470 -2.526 3.964
57 1HG2 THR 7 1HG2 THR 7 -4.375 -5.801 4.280
58 2HG2 THR 7 2HG2 THR 7 -3.272 -5.787 2.890
59 3HG2 THR 7 3HG2 THR 7 -2.828 -4.926 4.388
60 2HN AIB 8 HN AIB 8 -3.895 -3.375 -0.037
61 1HB1 AIB 8 1HB1 AIB 8 -3.349 -3.132 -2.512
62 2HB1 AIB 8 2HB1 AIB 8 -2.306 -4.393 -3.181
63 3HB1 AIB 8 3HB1 AIB 8 -3.721 -4.843 -2.202
64 1HB2 AIB 8 1HB2 AIB 8 -2.214 -6.251 -0.664
65 2HB2 AIB 8 2HB2 AIB 8 -0.818 -5.811 -1.671
66 3HB2 AIB 8 3HB2 AIB 8 -0.764 -5.542 0.075
67 H LEU 9 H LEU 9 -2.197 -1.548 -0.906
68 HA LEU 9 HA LEU 9 0.496 -0.792 -2.045
69 1HB LEU 9 1HB LEU 9 -2.004 0.773 -1.251
70 2HB LEU 9 2HB LEU 9 -0.523 1.578 -1.694
71 HG LEU 9 HG LEU 9 -1.684 -0.513 -3.618
72 1HD1 LEU 9 1HD1 LEU 9 -2.609 2.414 -3.518
73 2HD1 LEU 9 2HD1 LEU 9 -2.942 1.250 -4.826
74 3HD1 LEU 9 3HD1 LEU 9 -3.601 0.968 -3.208
75 1HD2 LEU 9 1HD2 LEU 9 0.649 0.360 -4.061
76 2HD2 LEU 9 2HD2 LEU 9 -0.482 0.826 -5.346
77 3HD2 LEU 9 3HD2 LEU 9 0.013 2.018 -4.115
78 2HN AIB 10 HN AIB 10 -0.571 -1.419 1.160
79 1HB1 AIB 10 1HB1 AIB 10 -0.046 -2.324 3.413
80 2HB1 AIB 10 2HB1 AIB 10 0.729 -1.258 4.593
81 3HB1 AIB 10 3HB1 AIB 10 -0.809 -0.797 3.844
82 1HB2 AIB 10 1HB2 AIB 10 -0.124 1.369 2.919
83 2HB2 AIB 10 2HB2 AIB 10 1.360 1.161 3.884
84 3HB2 AIB 10 3HB2 AIB 10 1.466 1.603 2.177
85 HA HYP 11 HA HYP 11 4.842 -2.544 2.410
86 1HB HYP 11 1HB HYP 11 4.762 -4.752 0.749
87 2HB HYP 11 2HB HYP 11 4.274 -4.775 2.448
88 1HD HYP 11 1HD HYP 11 0.929 -3.223 1.271
89 2HD HYP 11 2HD HYP 11 1.524 -3.855 2.849
90 HOD HYP 11 HD1 HYP 11 1.580 -5.757 2.220
91 HG HYP 11 HG HYP 11 2.468 -4.451 -0.009
92 H GLN 12 H GLN 12 3.045 -1.142 -0.181
93 HA GLN 12 HA GLN 12 5.563 -0.818 -1.825
94 1HB GLN 12 1HB GLN 12 2.707 -0.010 -2.671
95 2HB GLN 12 2HB GLN 12 4.165 0.064 -3.635
96 1HG GLN 12 1HG GLN 12 4.342 -2.503 -3.439
97 2HG GLN 12 2HG GLN 12 2.774 -2.469 -2.629
98 1HE2 GLN 12 1HE2 GLN 12 1.121 -2.536 -5.816
99 2HE2 GLN 12 2HE2 GLN 12 1.154 -2.962 -4.028
100 2HN AIB 13 HN AIB 13 4.502 0.608 0.745
101 1HB1 AIB 13 1HB1 AIB 13 4.381 2.055 2.622
102 2HB1 AIB 13 2HB1 AIB 13 5.427 3.484 2.766
103 3HB1 AIB 13 3HB1 AIB 13 3.908 3.535 1.850
104 1HB2 AIB 13 1HB2 AIB 13 4.505 4.085 -0.372
105 2HB2 AIB 13 2HB2 AIB 13 5.966 4.676 0.470
106 3HB2 AIB 13 3HB2 AIB 13 6.127 3.721 -1.003
107 HA HYP 14 HA HYP 14 9.423 1.329 2.346
108 1HB HYP 14 1HB HYP 14 9.316 -1.424 3.071
109 2HB HYP 14 2HB HYP 14 9.146 -0.018 4.129
110 1HD HYP 14 1HD HYP 14 5.780 -0.384 1.922
111 2HD HYP 14 2HD HYP 14 5.834 0.773 3.238
112 HOD HYP 14 HD1 HYP 14 7.108 0.155 5.067
113 HG HYP 14 HG HYP 14 7.048 -1.883 3.097
114 2HN AIB 15 HN AIB 15 7.846 -0.945 -0.005
115 1HB1 AIB 15 1HB1 AIB 15 7.545 -1.954 -2.270
116 2HB1 AIB 15 2HB1 AIB 15 8.838 -3.006 -2.866
117 3HB1 AIB 15 3HB1 AIB 15 8.054 -3.335 -1.304
118 1HB2 AIB 15 1HB2 AIB 15 10.176 -3.365 0.030
119 2HB2 AIB 15 2HB2 AIB 15 10.981 -3.293 -1.560
120 3HB2 AIB 15 3HB2 AIB 15 11.440 -2.162 -0.280
121 HA PRO 16 HA PRO 16 10.895 1.260 -4.106
122 1HB PRO 16 1HB PRO 16 9.345 3.574 -4.032
123 2HB PRO 16 2HB PRO 16 8.997 2.177 -5.060
124 1HG PRO 16 1HG PRO 16 7.706 2.975 -2.455
125 2HG PRO 16 2HG PRO 16 6.963 2.194 -3.861
126 1HD PRO 16 1HD PRO 16 7.829 0.929 -1.452
127 2HD PRO 16 2HD PRO 16 7.423 0.042 -2.905
128 H1 PHL 17 H1 PHL 17 12.612 1.939 0.809
129 H2 PHL 17 H2 PHL 17 11.204 2.537 1.701
130 HO PHL 17 HO PHL 17 13.632 3.938 1.251
131 HA PHL 17 HA PHL 17 12.436 4.010 -0.692
132 2HN PHL 17 2HN PHL 17 9.973 2.143 -0.840
133 1HB PHL 17 1HB PHL 17 9.726 4.312 0.709
134 2HB PHL 17 2HB PHL 17 11.078 5.426 0.852
135 HD1 PHL 17 HD1 PHL 17 12.010 6.186 -1.729
136 HD2 PHL 17 HD2 PHL 17 7.989 5.105 -0.681
137 HE1 PHL 17 HE1 PHL 17 11.156 7.435 -3.677
138 HE2 PHL 17 HE2 PHL 17 7.148 6.345 -2.629
139 HZ PHL 17 HZ PHL 17 8.727 7.524 -4.123
Start of MODEL 16
1 1H ACE 1 H1 ACE 1 -13.661 -2.459 -1.282
2 2H ACE 1 H2 ACE 1 -12.352 -3.482 -1.922
3 3H ACE 1 H3 ACE 1 -12.658 -3.441 -0.169
4 H TRP 2 H TRP 2 -12.979 -0.722 0.212
5 HA TRP 2 HA TRP 2 -10.694 0.839 -0.866
6 1HB TRP 2 1HB TRP 2 -12.193 1.692 1.644
7 2HB TRP 2 2HB TRP 2 -11.292 2.684 0.525
8 HD1 TRP 2 HD1 TRP 2 -12.853 1.703 -2.278
9 HE1 TRP 2 HE1 TRP 2 -15.344 2.453 -2.740
10 HE3 TRP 2 HE3 TRP 2 -13.997 2.905 2.552
11 HZ2 TRP 2 HZ2 TRP 2 -17.427 3.459 -1.051
12 HZ3 TRP 2 HZ3 TRP 2 -16.248 3.769 3.069
13 HH2 TRP 2 HH2 TRP 2 -17.937 4.047 1.298
14 H ILE 3 H ILE 3 -11.295 -0.692 2.321
15 HA ILE 3 HA ILE 3 -8.599 -0.003 3.337
16 HB ILE 3 HB ILE 3 -10.460 -2.134 4.556
17 1HG1 ILE 3 1HG1 ILE 3 -10.849 -0.152 6.348
18 2HG1 ILE 3 2HG1 ILE 3 -10.474 0.908 5.010
19 1HG2 ILE 3 1HG2 ILE 3 -8.127 -0.583 5.847
20 2HG2 ILE 3 2HG2 ILE 3 -9.198 -1.743 6.674
21 3HG2 ILE 3 3HG2 ILE 3 -8.123 -2.305 5.393
22 1HD1 ILE 3 1HD1 ILE 3 -12.749 -1.207 5.077
23 2HD1 ILE 3 2HD1 ILE 3 -12.940 0.534 5.366
24 3HD1 ILE 3 3HD1 ILE 3 -12.486 -0.043 3.753
25 H GLN 4 H GLN 4 -9.933 -2.932 1.791
26 HA GLN 4 HA GLN 4 -7.475 -4.529 1.758
27 1HB GLN 4 1HB GLN 4 -9.927 -4.371 -0.085
28 2HB GLN 4 2HB GLN 4 -8.570 -5.328 -0.574
29 1HG GLN 4 1HG GLN 4 -9.489 -5.887 2.268
30 2HG GLN 4 2HG GLN 4 -10.674 -6.216 1.027
31 1HE2 GLN 4 1HE2 GLN 4 -8.981 -9.211 -0.045
32 2HE2 GLN 4 2HE2 GLN 4 -10.448 -8.113 -0.132
33 2HN DIV 5 HN DIV 5 -8.472 -1.863 -0.469
34 1HB1 DIV 5 1HB1 DIV 5 -5.466 -1.796 -3.323
35 2HB1 DIV 5 2HB1 DIV 5 -5.665 -3.221 -2.389
36 1HG1 DIV 5 1HG1 DIV 5 -7.732 -2.096 -4.375
37 2HG1 DIV 5 2HG1 DIV 5 -6.762 -3.574 -4.527
38 3HG1 DIV 5 3HG1 DIV 5 -8.050 -3.482 -3.294
39 1HB2 DIV 5 1HB2 DIV 5 -7.954 0.398 -1.411
40 2HB2 DIV 5 2HB2 DIV 5 -7.006 0.360 -2.903
41 3HB2 DIV 5 3HB2 DIV 5 -8.455 -0.649 -2.734
42 H ILE 6 H ILE 6 -6.699 -0.003 0.525
43 HA ILE 6 HA ILE 6 -3.957 1.106 0.500
44 HB ILE 6 HB ILE 6 -5.944 0.987 2.829
45 1HG1 ILE 6 1HG1 ILE 6 -5.408 3.473 1.076
46 2HG1 ILE 6 2HG1 ILE 6 -6.664 2.342 0.650
47 1HG2 ILE 6 1HG2 ILE 6 -3.394 2.711 2.494
48 2HG2 ILE 6 2HG2 ILE 6 -4.600 2.959 3.777
49 3HG2 ILE 6 3HG2 ILE 6 -3.678 1.460 3.725
50 1HD1 ILE 6 1HD1 ILE 6 -6.630 3.866 3.324
51 2HD1 ILE 6 2HD1 ILE 6 -7.638 4.212 1.906
52 3HD1 ILE 6 3HD1 ILE 6 -7.868 2.694 2.804
53 H THR 7 H THR 7 -5.221 -1.938 1.693
54 HA THR 7 HA THR 7 -2.825 -2.615 3.341
55 HB THR 7 HB THR 7 -5.167 -4.359 2.433
56 HG1 THR 7 HG1 THR 7 -5.446 -2.568 3.919
57 1HG2 THR 7 1HG2 THR 7 -4.491 -5.938 4.260
58 2HG2 THR 7 2HG2 THR 7 -3.267 -5.886 2.975
59 3HG2 THR 7 3HG2 THR 7 -2.978 -5.027 4.512
60 2HN AIB 8 HN AIB 8 -3.908 -3.534 0.053
61 1HB1 AIB 8 1HB1 AIB 8 -3.371 -3.195 -2.428
62 2HB1 AIB 8 2HB1 AIB 8 -2.300 -4.422 -3.122
63 3HB1 AIB 8 3HB1 AIB 8 -3.702 -4.919 -2.150
64 1HB2 AIB 8 1HB2 AIB 8 -2.173 -6.323 -0.643
65 2HB2 AIB 8 2HB2 AIB 8 -0.787 -5.840 -1.647
66 3HB2 AIB 8 3HB2 AIB 8 -0.730 -5.604 0.105
67 H LEU 9 H LEU 9 -2.219 -1.602 -0.756
68 HA LEU 9 HA LEU 9 0.433 -0.794 -1.922
69 1HB LEU 9 1HB LEU 9 -2.017 0.746 -0.941
70 2HB LEU 9 2HB LEU 9 -0.555 1.560 -1.424
71 HG LEU 9 HG LEU 9 -1.864 -0.418 -3.368
72 1HD1 LEU 9 1HD1 LEU 9 -2.674 2.539 -3.104
73 2HD1 LEU 9 2HD1 LEU 9 -3.166 1.416 -4.403
74 3HD1 LEU 9 3HD1 LEU 9 -3.695 1.127 -2.740
75 1HD2 LEU 9 1HD2 LEU 9 0.462 0.411 -3.910
76 2HD2 LEU 9 2HD2 LEU 9 -0.729 0.950 -5.109
77 3HD2 LEU 9 3HD2 LEU 9 -0.127 2.088 -3.873
78 2HN AIB 10 HN AIB 10 -0.541 -1.537 1.292
79 1HB1 AIB 10 1HB1 AIB 10 0.089 -2.546 3.490
80 2HB1 AIB 10 2HB1 AIB 10 0.832 -1.489 4.688
81 3HB1 AIB 10 3HB1 AIB 10 -0.721 -1.058 3.955
82 1HB2 AIB 10 1HB2 AIB 10 -0.047 1.173 3.144
83 2HB2 AIB 10 2HB2 AIB 10 1.460 0.934 4.057
84 3HB2 AIB 10 3HB2 AIB 10 1.521 1.442 2.367
85 HA HYP 11 HA HYP 11 4.923 -2.649 2.353
86 1HB HYP 11 1HB HYP 11 4.848 -4.800 0.612
87 2HB HYP 11 2HB HYP 11 4.437 -4.886 2.324
88 1HD HYP 11 1HD HYP 11 0.997 -3.383 1.289
89 2HD HYP 11 2HD HYP 11 1.639 -4.029 2.830
90 HOD HYP 11 HD1 HYP 11 1.430 -5.951 1.804
91 HG HYP 11 HG HYP 11 2.514 -4.607 -0.038
92 H GLN 12 H GLN 12 3.048 -1.180 -0.136
93 HA GLN 12 HA GLN 12 5.506 -0.778 -1.853
94 1HB GLN 12 1HB GLN 12 2.608 0.062 -2.524
95 2HB GLN 12 2HB GLN 12 4.023 0.215 -3.551
96 1HG GLN 12 1HG GLN 12 4.219 -2.373 -3.497
97 2HG GLN 12 2HG GLN 12 2.679 -2.371 -2.634
98 1HE2 GLN 12 1HE2 GLN 12 0.967 -2.295 -5.810
99 2HE2 GLN 12 2HE2 GLN 12 1.039 -2.852 -4.052
100 2HN AIB 13 HN AIB 13 4.490 0.556 0.825
101 1HB1 AIB 13 1HB1 AIB 13 4.462 1.900 2.782
102 2HB1 AIB 13 2HB1 AIB 13 5.480 3.347 2.940
103 3HB1 AIB 13 3HB1 AIB 13 3.920 3.391 2.096
104 1HB2 AIB 13 1HB2 AIB 13 4.425 4.066 -0.108
105 2HB2 AIB 13 2HB2 AIB 13 5.910 4.637 0.705
106 3HB2 AIB 13 3HB2 AIB 13 6.019 3.767 -0.828
107 HA HYP 14 HA HYP 14 9.480 1.271 2.277
108 1HB HYP 14 1HB HYP 14 9.468 -1.503 2.896
109 2HB HYP 14 2HB HYP 14 9.301 -0.137 4.008
110 1HD HYP 14 1HD HYP 14 5.873 -0.513 1.908
111 2HD HYP 14 2HD HYP 14 5.928 0.587 3.267
112 HOD HYP 14 HD1 HYP 14 7.323 -0.055 5.025
113 HG HYP 14 HG HYP 14 7.208 -2.023 2.990
114 2HN AIB 15 HN AIB 15 7.855 -0.934 -0.084
115 1HB1 AIB 15 1HB1 AIB 15 7.481 -1.813 -2.412
116 2HB1 AIB 15 2HB1 AIB 15 8.752 -2.821 -3.098
117 3HB1 AIB 15 3HB1 AIB 15 8.022 -3.226 -1.524
118 1HB2 AIB 15 1HB2 AIB 15 10.179 -3.309 -0.269
119 2HB2 AIB 15 2HB2 AIB 15 10.947 -3.142 -1.879
120 3HB2 AIB 15 3HB2 AIB 15 11.432 -2.087 -0.548
121 HA PRO 16 HA PRO 16 10.792 1.496 -4.198
122 1HB PRO 16 1HB PRO 16 9.183 3.772 -4.003
123 2HB PRO 16 2HB PRO 16 8.886 2.419 -5.098
124 1HG PRO 16 1HG PRO 16 7.498 3.084 -2.515
125 2HG PRO 16 2HG PRO 16 6.851 2.248 -3.939
126 1HD PRO 16 1HD PRO 16 7.801 1.071 -1.495
127 2HD PRO 16 2HD PRO 16 7.341 0.175 -2.921
128 H1 PHL 17 H1 PHL 17 12.749 2.110 0.654
129 H2 PHL 17 H2 PHL 17 11.255 2.355 1.552
130 HO PHL 17 HO PHL 17 13.441 3.207 2.267
131 HA PHL 17 HA PHL 17 12.331 4.160 -0.688
132 2HN PHL 17 2HN PHL 17 9.906 2.232 -0.890
133 1HB PHL 17 1HB PHL 17 9.623 4.334 0.736
134 2HB PHL 17 2HB PHL 17 10.965 5.439 0.962
135 HD1 PHL 17 HD1 PHL 17 7.933 5.042 -0.830
136 HD2 PHL 17 HD2 PHL 17 11.944 6.460 -1.425
137 HE1 PHL 17 HE1 PHL 17 7.169 6.414 -2.724
138 HE2 PHL 17 HE2 PHL 17 11.178 7.815 -3.325
139 HZ PHL 17 HZ PHL 17 8.789 7.802 -3.986
Start of MODEL 17
1 1H ACE 1 H1 ACE 1 -13.653 -1.411 -1.825
2 2H ACE 1 H2 ACE 1 -12.501 -2.650 -2.381
3 3H ACE 1 H3 ACE 1 -13.059 -2.662 -0.691
4 H TRP 2 H TRP 2 -12.862 0.064 -0.132
5 HA TRP 2 HA TRP 2 -10.167 1.126 -0.765
6 1HB TRP 2 1HB TRP 2 -12.516 2.111 0.901
7 2HB TRP 2 2HB TRP 2 -10.967 2.689 1.414
8 HD1 TRP 2 HD1 TRP 2 -13.543 3.345 -1.299
9 HE1 TRP 2 HE1 TRP 2 -12.774 5.298 -2.906
10 HE3 TRP 2 HE3 TRP 2 -8.692 3.529 0.285
11 HZ2 TRP 2 HZ2 TRP 2 -10.289 6.675 -3.267
12 HZ3 TRP 2 HZ3 TRP 2 -7.168 5.199 -0.722
13 HH2 TRP 2 HH2 TRP 2 -7.951 6.741 -2.465
14 H ILE 3 H ILE 3 -11.272 -0.786 2.019
15 HA ILE 3 HA ILE 3 -8.718 -0.261 3.445
16 HB ILE 3 HB ILE 3 -10.715 -2.424 4.311
17 1HG1 ILE 3 1HG1 ILE 3 -11.310 -0.560 6.160
18 2HG1 ILE 3 2HG1 ILE 3 -10.773 0.586 4.954
19 1HG2 ILE 3 1HG2 ILE 3 -8.549 -0.924 5.920
20 2HG2 ILE 3 2HG2 ILE 3 -9.672 -2.147 6.564
21 3HG2 ILE 3 3HG2 ILE 3 -8.456 -2.614 5.374
22 1HD1 ILE 3 1HD1 ILE 3 -13.047 -1.500 4.603
23 2HD1 ILE 3 2HD1 ILE 3 -13.265 0.221 4.991
24 3HD1 ILE 3 3HD1 ILE 3 -12.624 -0.249 3.404
25 H GLN 4 H GLN 4 -9.976 -3.068 1.627
26 HA GLN 4 HA GLN 4 -7.487 -4.615 1.668
27 1HB GLN 4 1HB GLN 4 -8.270 -5.763 -0.337
28 2HB GLN 4 2HB GLN 4 -9.444 -5.736 0.947
29 1HG GLN 4 1HG GLN 4 -10.776 -3.963 -0.266
30 2HG GLN 4 2HG GLN 4 -9.571 -3.924 -1.544
31 1HE2 GLN 4 1HE2 GLN 4 -11.394 -6.490 -3.256
32 2HE2 GLN 4 2HE2 GLN 4 -10.474 -4.902 -3.292
33 2HN DIV 5 HN DIV 5 -8.458 -1.941 -0.446
34 1HB1 DIV 5 1HB1 DIV 5 -5.380 -1.643 -3.212
35 2HB1 DIV 5 2HB1 DIV 5 -5.599 -3.108 -2.368
36 1HG1 DIV 5 1HG1 DIV 5 -7.643 -1.903 -4.328
37 2HG1 DIV 5 2HG1 DIV 5 -6.653 -3.359 -4.527
38 3HG1 DIV 5 3HG1 DIV 5 -7.965 -3.341 -3.321
39 1HB2 DIV 5 1HB2 DIV 5 -7.921 0.434 -1.221
40 2HB2 DIV 5 2HB2 DIV 5 -6.890 0.528 -2.656
41 3HB2 DIV 5 3HB2 DIV 5 -8.338 -0.491 -2.662
42 H ILE 6 H ILE 6 -6.648 0.110 0.624
43 HA ILE 6 HA ILE 6 -3.841 1.029 0.706
44 HB ILE 6 HB ILE 6 -6.084 1.132 2.774
45 1HG1 ILE 6 1HG1 ILE 6 -6.546 2.559 0.840
46 2HG1 ILE 6 2HG1 ILE 6 -6.278 3.516 2.271
47 1HG2 ILE 6 1HG2 ILE 6 -3.340 2.466 3.130
48 2HG2 ILE 6 2HG2 ILE 6 -4.803 2.866 4.067
49 3HG2 ILE 6 3HG2 ILE 6 -4.104 1.244 4.177
50 1HD1 ILE 6 1HD1 ILE 6 -4.249 3.164 -0.045
51 2HD1 ILE 6 2HD1 ILE 6 -5.227 4.602 0.314
52 3HD1 ILE 6 3HD1 ILE 6 -3.935 4.121 1.431
53 H THR 7 H THR 7 -5.233 -1.956 1.851
54 HA THR 7 HA THR 7 -2.851 -2.705 3.479
55 HB THR 7 HB THR 7 -5.195 -4.396 2.491
56 HG1 THR 7 HG1 THR 7 -5.462 -2.671 4.047
57 1HG2 THR 7 1HG2 THR 7 -4.536 -6.047 4.272
58 2HG2 THR 7 2HG2 THR 7 -3.343 -5.981 2.957
59 3HG2 THR 7 3HG2 THR 7 -2.996 -5.184 4.515
60 2HN AIB 8 HN AIB 8 -3.875 -3.490 0.137
61 1HB1 AIB 8 1HB1 AIB 8 -3.348 -3.268 -2.338
62 2HB1 AIB 8 2HB1 AIB 8 -2.291 -4.524 -2.995
63 3HB1 AIB 8 3HB1 AIB 8 -3.691 -4.978 -2.002
64 1HB2 AIB 8 1HB2 AIB 8 -2.126 -6.351 -0.470
65 2HB2 AIB 8 2HB2 AIB 8 -0.745 -5.880 -1.484
66 3HB2 AIB 8 3HB2 AIB 8 -0.692 -5.596 0.258
67 H LEU 9 H LEU 9 -2.209 -1.646 -0.635
68 HA LEU 9 HA LEU 9 0.426 -0.807 -1.856
69 1HB LEU 9 1HB LEU 9 -2.062 0.705 -0.935
70 2HB LEU 9 2HB LEU 9 -0.614 1.539 -1.416
71 HG LEU 9 HG LEU 9 -1.828 -0.522 -3.334
72 1HD1 LEU 9 1HD1 LEU 9 -2.763 2.403 -3.153
73 2HD1 LEU 9 2HD1 LEU 9 -3.161 1.246 -4.450
74 3HD1 LEU 9 3HD1 LEU 9 -3.738 0.952 -2.803
75 1HD2 LEU 9 1HD2 LEU 9 0.474 0.402 -3.850
76 2HD2 LEU 9 2HD2 LEU 9 -0.718 0.862 -5.083
77 3HD2 LEU 9 3HD2 LEU 9 -0.196 2.048 -3.857
78 2HN AIB 10 HN AIB 10 -0.576 -1.496 1.377
79 1HB1 AIB 10 1HB1 AIB 10 0.079 -2.508 3.567
80 2HB1 AIB 10 2HB1 AIB 10 0.870 -1.466 4.756
81 3HB1 AIB 10 3HB1 AIB 10 -0.698 -1.011 4.071
82 1HB2 AIB 10 1HB2 AIB 10 -0.067 1.195 3.230
83 2HB2 AIB 10 2HB2 AIB 10 1.460 0.971 4.114
84 3HB2 AIB 10 3HB2 AIB 10 1.483 1.485 2.424
85 HA HYP 11 HA HYP 11 4.914 -2.618 2.356
86 1HB HYP 11 1HB HYP 11 4.798 -4.784 0.636
87 2HB HYP 11 2HB HYP 11 4.402 -4.849 2.357
88 1HD HYP 11 1HD HYP 11 0.972 -3.330 1.334
89 2HD HYP 11 2HD HYP 11 1.609 -3.978 2.882
90 HOD HYP 11 HD1 HYP 11 1.441 -5.894 1.955
91 HG HYP 11 HG HYP 11 2.461 -4.555 0.004
92 H GLN 12 H GLN 12 3.009 -1.178 -0.134
93 HA GLN 12 HA GLN 12 5.459 -0.777 -1.857
94 1HB GLN 12 1HB GLN 12 2.569 0.044 -2.547
95 2HB GLN 12 2HB GLN 12 3.982 0.169 -3.573
96 1HG GLN 12 1HG GLN 12 4.176 -2.415 -3.467
97 2HG GLN 12 2HG GLN 12 2.625 -2.403 -2.618
98 1HE2 GLN 12 1HE2 GLN 12 0.911 -2.287 -5.794
99 2HE2 GLN 12 2HE2 GLN 12 0.948 -2.805 -4.029
100 2HN AIB 13 HN AIB 13 4.450 0.576 0.806
101 1HB1 AIB 13 1HB1 AIB 13 4.427 1.947 2.742
102 2HB1 AIB 13 2HB1 AIB 13 5.434 3.405 2.873
103 3HB1 AIB 13 3HB1 AIB 13 3.877 3.423 2.020
104 1HB2 AIB 13 1HB2 AIB 13 4.402 4.072 -0.195
105 2HB2 AIB 13 2HB2 AIB 13 5.887 4.653 0.612
106 3HB2 AIB 13 3HB2 AIB 13 5.998 3.749 -0.897
107 HA HYP 14 HA HYP 14 9.448 1.316 2.260
108 1HB HYP 14 1HB HYP 14 9.426 -1.455 2.908
109 2HB HYP 14 2HB HYP 14 9.258 -0.083 4.010
110 1HD HYP 14 1HD HYP 14 5.842 -0.473 1.894
111 2HD HYP 14 2HD HYP 14 5.890 0.638 3.247
112 HOD HYP 14 HD1 HYP 14 7.238 0.015 5.018
113 HG HYP 14 HG HYP 14 7.174 -1.973 2.995
114 2HN AIB 15 HN AIB 15 7.820 -0.920 -0.091
115 1HB1 AIB 15 1HB1 AIB 15 7.455 -1.825 -2.390
116 2HB1 AIB 15 2HB1 AIB 15 8.730 -2.838 -3.076
117 3HB1 AIB 15 3HB1 AIB 15 7.999 -3.241 -1.503
118 1HB2 AIB 15 1HB2 AIB 15 10.142 -3.318 -0.239
119 2HB2 AIB 15 2HB2 AIB 15 10.925 -3.157 -1.840
120 3HB2 AIB 15 3HB2 AIB 15 11.401 -2.096 -0.510
121 HA PRO 16 HA PRO 16 10.754 1.457 -4.204
122 1HB PRO 16 1HB PRO 16 9.153 3.735 -4.060
123 2HB PRO 16 2HB PRO 16 8.826 2.348 -5.110
124 1HG PRO 16 1HG PRO 16 7.524 3.079 -2.490
125 2HG PRO 16 2HG PRO 16 6.805 2.280 -3.901
126 1HD PRO 16 1HD PRO 16 7.743 1.029 -1.504
127 2HD PRO 16 2HD PRO 16 7.314 0.151 -2.955
128 H1 PHL 17 H1 PHL 17 12.571 2.034 0.649
129 H2 PHL 17 H2 PHL 17 11.204 2.578 1.633
130 HO PHL 17 HO PHL 17 13.550 4.079 1.075
131 HA PHL 17 HA PHL 17 12.300 4.153 -0.760
132 2HN PHL 17 2HN PHL 17 9.880 2.224 -0.899
133 1HB PHL 17 1HB PHL 17 9.612 4.354 0.697
134 2HB PHL 17 2HB PHL 17 10.957 5.471 0.882
135 HD1 PHL 17 HD1 PHL 17 11.882 6.468 -1.533
136 HD2 PHL 17 HD2 PHL 17 7.893 5.046 -0.820
137 HE1 PHL 17 HE1 PHL 17 11.067 7.789 -3.439
138 HE2 PHL 17 HE2 PHL 17 7.082 6.379 -2.722
139 HZ PHL 17 HZ PHL 17 8.664 7.760 -4.033
Start of MODEL 18
1 1H ACE 1 H1 ACE 1 -13.698 -2.709 -0.812
2 2H ACE 1 H2 ACE 1 -12.376 -3.700 -1.478
3 3H ACE 1 H3 ACE 1 -12.548 -3.540 0.280
4 H TRP 2 H TRP 2 -13.048 -0.813 0.459
5 HA TRP 2 HA TRP 2 -10.816 0.782 -0.726
6 1HB TRP 2 1HB TRP 2 -12.604 1.496 1.668
7 2HB TRP 2 2HB TRP 2 -11.419 2.565 0.965
8 HD1 TRP 2 HD1 TRP 2 -11.822 3.052 -1.915
9 HE1 TRP 2 HE1 TRP 2 -14.053 3.886 -3.058
10 HE3 TRP 2 HE3 TRP 2 -14.984 1.396 1.731
11 HZ2 TRP 2 HZ2 TRP 2 -16.802 3.806 -2.262
12 HZ3 TRP 2 HZ3 TRP 2 -17.401 1.853 1.517
13 HH2 TRP 2 HH2 TRP 2 -18.297 3.045 -0.443
14 H ILE 3 H ILE 3 -11.312 -0.745 2.476
15 HA ILE 3 HA ILE 3 -8.558 -0.156 3.365
16 HB ILE 3 HB ILE 3 -10.317 -0.572 5.060
17 1HG1 ILE 3 1HG1 ILE 3 -9.140 -2.132 6.624
18 2HG1 ILE 3 2HG1 ILE 3 -8.095 -2.678 5.329
19 1HG2 ILE 3 1HG2 ILE 3 -10.390 -3.540 4.224
20 2HG2 ILE 3 2HG2 ILE 3 -11.233 -2.803 5.606
21 3HG2 ILE 3 3HG2 ILE 3 -11.682 -2.350 3.952
22 1HD1 ILE 3 1HD1 ILE 3 -8.232 0.229 6.392
23 2HD1 ILE 3 2HD1 ILE 3 -6.979 -0.975 6.792
24 3HD1 ILE 3 3HD1 ILE 3 -7.106 -0.353 5.132
25 H GLN 4 H GLN 4 -9.900 -2.853 1.545
26 HA GLN 4 HA GLN 4 -7.454 -4.456 1.595
27 1HB GLN 4 1HB GLN 4 -9.998 -4.957 0.735
28 2HB GLN 4 2HB GLN 4 -9.345 -4.557 -0.821
29 1HG GLN 4 1HG GLN 4 -7.955 -6.485 -0.902
30 2HG GLN 4 2HG GLN 4 -7.697 -6.540 0.826
31 1HE2 GLN 4 1HE2 GLN 4 -10.569 -8.970 -0.517
32 2HE2 GLN 4 2HE2 GLN 4 -9.358 -8.117 -1.602
33 2HN DIV 5 HN DIV 5 -8.457 -1.823 -0.539
34 1HB1 DIV 5 1HB1 DIV 5 -5.522 -1.555 -3.469
35 2HB1 DIV 5 2HB1 DIV 5 -5.691 -3.038 -2.635
36 1HG1 DIV 5 1HG1 DIV 5 -7.776 -1.837 -4.558
37 2HG1 DIV 5 2HG1 DIV 5 -6.769 -3.273 -4.806
38 3HG1 DIV 5 3HG1 DIV 5 -8.061 -3.303 -3.573
39 1HB2 DIV 5 1HB2 DIV 5 -8.117 0.430 -1.446
40 2HB2 DIV 5 2HB2 DIV 5 -7.226 0.501 -2.971
41 3HB2 DIV 5 3HB2 DIV 5 -8.608 -0.594 -2.790
42 H ILE 6 H ILE 6 -6.809 0.209 0.326
43 HA ILE 6 HA ILE 6 -4.072 1.311 0.283
44 HB ILE 6 HB ILE 6 -6.192 1.296 2.490
45 1HG1 ILE 6 1HG1 ILE 6 -5.392 3.777 0.842
46 2HG1 ILE 6 2HG1 ILE 6 -6.544 2.659 0.170
47 1HG2 ILE 6 1HG2 ILE 6 -3.596 2.965 2.426
48 2HG2 ILE 6 2HG2 ILE 6 -4.947 3.240 3.550
49 3HG2 ILE 6 3HG2 ILE 6 -4.042 1.729 3.633
50 1HD1 ILE 6 1HD1 ILE 6 -6.955 4.071 2.882
51 2HD1 ILE 6 2HD1 ILE 6 -7.733 4.489 1.341
52 3HD1 ILE 6 3HD1 ILE 6 -8.089 2.931 2.122
53 H THR 7 H THR 7 -5.295 -1.695 1.593
54 HA THR 7 HA THR 7 -2.846 -2.286 3.198
55 HB THR 7 HB THR 7 -5.169 -4.107 2.430
56 HG1 THR 7 HG1 THR 7 -5.503 -2.368 3.903
57 1HG2 THR 7 1HG2 THR 7 -4.343 -5.625 4.268
58 2HG2 THR 7 2HG2 THR 7 -3.241 -5.601 2.874
59 3HG2 THR 7 3HG2 THR 7 -2.821 -4.701 4.354
60 2HN AIB 8 HN AIB 8 -3.952 -3.242 -0.072
61 1HB1 AIB 8 1HB1 AIB 8 -3.377 -2.937 -2.564
62 2HB1 AIB 8 2HB1 AIB 8 -2.329 -4.200 -3.228
63 3HB1 AIB 8 3HB1 AIB 8 -3.748 -4.648 -2.257
64 1HB2 AIB 8 1HB2 AIB 8 -2.253 -6.067 -0.724
65 2HB2 AIB 8 2HB2 AIB 8 -0.844 -5.619 -1.713
66 3HB2 AIB 8 3HB2 AIB 8 -0.808 -5.360 0.033
67 H LEU 9 H LEU 9 -2.206 -1.346 -0.939
68 HA LEU 9 HA LEU 9 0.504 -0.616 -2.050
69 1HB LEU 9 1HB LEU 9 -1.971 0.973 -1.234
70 2HB LEU 9 2HB LEU 9 -0.482 1.763 -1.657
71 HG LEU 9 HG LEU 9 -1.647 -0.284 -3.620
72 1HD1 LEU 9 1HD1 LEU 9 -2.595 2.632 -3.452
73 2HD1 LEU 9 2HD1 LEU 9 -2.924 1.501 -4.789
74 3HD1 LEU 9 3HD1 LEU 9 -3.574 1.169 -3.177
75 1HD2 LEU 9 1HD2 LEU 9 0.678 0.611 -4.049
76 2HD2 LEU 9 2HD2 LEU 9 -0.459 1.086 -5.326
77 3HD2 LEU 9 3HD2 LEU 9 0.027 2.268 -4.079
78 2HN AIB 10 HN AIB 10 -0.590 -1.267 1.143
79 1HB1 AIB 10 1HB1 AIB 10 -0.074 -2.223 3.393
80 2HB1 AIB 10 2HB1 AIB 10 0.662 -1.147 4.589
81 3HB1 AIB 10 3HB1 AIB 10 -0.850 -0.693 3.788
82 1HB2 AIB 10 1HB2 AIB 10 -0.089 1.479 2.946
83 2HB2 AIB 10 2HB2 AIB 10 1.380 1.224 3.917
84 3HB2 AIB 10 3HB2 AIB 10 1.509 1.693 2.219
85 HA HYP 11 HA HYP 11 4.784 -2.557 2.393
86 1HB HYP 11 1HB HYP 11 4.651 -4.725 0.677
87 2HB HYP 11 2HB HYP 11 4.160 -4.775 2.373
88 1HD HYP 11 1HD HYP 11 0.872 -3.095 1.189
89 2HD HYP 11 2HD HYP 11 1.409 -3.775 2.766
90 HOD HYP 11 HD1 HYP 11 1.359 -5.651 2.068
91 HG HYP 11 HG HYP 11 2.371 -4.366 -0.078
92 H GLN 12 H GLN 12 3.045 -1.077 -0.195
93 HA GLN 12 HA GLN 12 5.573 -0.804 -1.830
94 1HB GLN 12 1HB GLN 12 2.739 0.116 -2.641
95 2HB GLN 12 2HB GLN 12 4.194 0.177 -3.613
96 1HG GLN 12 1HG GLN 12 4.292 -2.407 -3.480
97 2HG GLN 12 2HG GLN 12 2.724 -2.338 -2.671
98 1HE2 GLN 12 1HE2 GLN 12 1.084 -2.233 -5.875
99 2HE2 GLN 12 2HE2 GLN 12 1.085 -2.733 -4.102
100 2HN AIB 13 HN AIB 13 4.472 0.644 0.757
101 1HB1 AIB 13 1HB1 AIB 13 4.425 2.028 2.663
102 2HB1 AIB 13 2HB1 AIB 13 5.512 3.420 2.848
103 3HB1 AIB 13 3HB1 AIB 13 4.001 3.538 1.924
104 1HB2 AIB 13 1HB2 AIB 13 4.634 4.125 -0.277
105 2HB2 AIB 13 2HB2 AIB 13 6.114 4.642 0.580
106 3HB2 AIB 13 3HB2 AIB 13 6.238 3.717 -0.916
107 HA HYP 14 HA HYP 14 9.445 1.192 2.429
108 1HB HYP 14 1HB HYP 14 9.280 -1.583 3.072
109 2HB HYP 14 2HB HYP 14 9.141 -0.199 4.165
110 1HD HYP 14 1HD HYP 14 5.788 -0.446 1.923
111 2HD HYP 14 2HD HYP 14 5.834 0.679 3.267
112 HOD HYP 14 HD1 HYP 14 7.102 0.004 5.097
113 HG HYP 14 HG HYP 14 7.004 -1.993 3.085
114 2HN AIB 15 HN AIB 15 7.844 -0.984 0.003
115 1HB1 AIB 15 1HB1 AIB 15 7.560 -1.917 -2.306
116 2HB1 AIB 15 2HB1 AIB 15 8.826 -2.991 -2.905
117 3HB1 AIB 15 3HB1 AIB 15 7.998 -3.333 -1.365
118 1HB2 AIB 15 1HB2 AIB 15 10.070 -3.475 0.003
119 2HB2 AIB 15 2HB2 AIB 15 10.950 -3.361 -1.555
120 3HB2 AIB 15 3HB2 AIB 15 11.387 -2.304 -0.208
121 HA PRO 16 HA PRO 16 11.072 1.213 -3.999
122 1HB PRO 16 1HB PRO 16 9.543 3.548 -3.966
123 2HB PRO 16 2HB PRO 16 9.229 2.163 -5.016
124 1HG PRO 16 1HG PRO 16 7.799 2.968 -2.490
125 2HG PRO 16 2HG PRO 16 7.142 2.159 -3.924
126 1HD PRO 16 1HD PRO 16 7.921 0.942 -1.449
127 2HD PRO 16 2HD PRO 16 7.516 0.048 -2.898
128 H1 PHL 17 H1 PHL 17 11.233 2.424 1.839
129 H2 PHL 17 H2 PHL 17 12.617 3.517 1.875
130 HO PHL 17 HO PHL 17 13.584 1.665 1.673
131 HA PHL 17 HA PHL 17 12.500 3.937 -0.510
132 2HN PHL 17 2HN PHL 17 10.043 2.058 -0.758
133 1HB PHL 17 1HB PHL 17 9.741 4.232 0.773
134 2HB PHL 17 2HB PHL 17 11.099 5.319 1.025
135 HD1 PHL 17 HD1 PHL 17 12.208 6.206 -1.380
136 HD2 PHL 17 HD2 PHL 17 8.126 4.985 -0.831
137 HE1 PHL 17 HE1 PHL 17 11.552 7.481 -3.370
138 HE2 PHL 17 HE2 PHL 17 7.473 6.275 -2.820
139 HZ PHL 17 HZ PHL 17 9.184 7.531 -4.098
Start of MODEL 19
1 1H ACE 1 H1 ACE 1 -13.323 -2.858 -1.785
2 2H ACE 1 H2 ACE 1 -11.873 -3.748 -2.311
3 3H ACE 1 H3 ACE 1 -12.305 -3.714 -0.586
4 H TRP 2 H TRP 2 -12.847 -1.168 -0.104
5 HA TRP 2 HA TRP 2 -10.680 0.699 -1.014
6 1HB TRP 2 1HB TRP 2 -11.662 2.253 0.905
7 2HB TRP 2 2HB TRP 2 -12.356 2.066 -0.655
8 HD1 TRP 2 HD1 TRP 2 -13.060 0.652 2.970
9 HE1 TRP 2 HE1 TRP 2 -15.605 0.047 3.228
10 HE3 TRP 2 HE3 TRP 2 -14.422 1.843 -1.806
11 HZ2 TRP 2 HZ2 TRP 2 -17.836 0.165 1.448
12 HZ3 TRP 2 HZ3 TRP 2 -16.776 1.555 -2.479
13 HH2 TRP 2 HH2 TRP 2 -18.460 0.726 -0.884
14 H ILE 3 H ILE 3 -11.494 -0.634 2.161
15 HA ILE 3 HA ILE 3 -8.836 -0.079 3.305
16 HB ILE 3 HB ILE 3 -10.810 -2.236 4.233
17 1HG1 ILE 3 1HG1 ILE 3 -10.588 0.333 5.872
18 2HG1 ILE 3 2HG1 ILE 3 -11.389 0.513 4.348
19 1HG2 ILE 3 1HG2 ILE 3 -8.481 -1.006 5.833
20 2HG2 ILE 3 2HG2 ILE 3 -9.728 -2.079 6.512
21 3HG2 ILE 3 3HG2 ILE 3 -8.620 -2.695 5.281
22 1HD1 ILE 3 1HD1 ILE 3 -12.222 -1.553 6.489
23 2HD1 ILE 3 2HD1 ILE 3 -13.048 -0.020 6.117
24 3HD1 ILE 3 3HD1 ILE 3 -13.025 -1.329 4.913
25 H GLN 4 H GLN 4 -9.955 -2.952 1.572
26 HA GLN 4 HA GLN 4 -7.423 -4.456 1.703
27 1HB GLN 4 1HB GLN 4 -9.698 -4.487 -0.369
28 2HB GLN 4 2HB GLN 4 -8.278 -5.515 -0.493
29 1HG GLN 4 1HG GLN 4 -8.736 -6.570 1.726
30 2HG GLN 4 2HG GLN 4 -10.151 -5.558 1.954
31 1HE2 GLN 4 1HE2 GLN 4 -10.743 -8.978 -0.034
32 2HE2 GLN 4 2HE2 GLN 4 -9.185 -8.560 0.842
33 2HN DIV 5 HN DIV 5 -8.463 -1.860 -0.537
34 1HB1 DIV 5 1HB1 DIV 5 -5.349 -1.583 -3.269
35 2HB1 DIV 5 2HB1 DIV 5 -5.565 -3.054 -2.407
36 1HG1 DIV 5 1HG1 DIV 5 -7.549 -1.866 -4.443
37 2HG1 DIV 5 2HG1 DIV 5 -6.539 -3.311 -4.615
38 3HG1 DIV 5 3HG1 DIV 5 -7.892 -3.313 -3.456
39 1HB2 DIV 5 1HB2 DIV 5 -7.918 0.527 -1.429
40 2HB2 DIV 5 2HB2 DIV 5 -6.878 0.520 -2.863
41 3HB2 DIV 5 3HB2 DIV 5 -8.335 -0.488 -2.808
42 H ILE 6 H ILE 6 -6.742 0.114 0.573
43 HA ILE 6 HA ILE 6 -4.008 1.229 0.661
44 HB ILE 6 HB ILE 6 -6.132 1.050 2.861
45 1HG1 ILE 6 1HG1 ILE 6 -6.987 2.432 1.044
46 2HG1 ILE 6 2HG1 ILE 6 -6.652 3.411 2.444
47 1HG2 ILE 6 1HG2 ILE 6 -3.551 2.723 2.949
48 2HG2 ILE 6 2HG2 ILE 6 -4.940 2.933 4.046
49 3HG2 ILE 6 3HG2 ILE 6 -4.038 1.413 4.053
50 1HD1 ILE 6 1HD1 ILE 6 -4.862 3.282 -0.080
51 2HD1 ILE 6 2HD1 ILE 6 -5.977 4.593 0.364
52 3HD1 ILE 6 3HD1 ILE 6 -4.533 4.293 1.352
53 H THR 7 H THR 7 -5.256 -1.847 1.802
54 HA THR 7 HA THR 7 -2.879 -2.493 3.465
55 HB THR 7 HB THR 7 -5.116 -4.323 2.463
56 HG1 THR 7 HG1 THR 7 -5.109 -2.418 4.191
57 1HG2 THR 7 1HG2 THR 7 -4.449 -5.834 4.373
58 2HG2 THR 7 2HG2 THR 7 -3.189 -5.767 3.122
59 3HG2 THR 7 3HG2 THR 7 -2.984 -4.856 4.642
60 2HN AIB 8 HN AIB 8 -3.837 -3.329 0.120
61 1HB1 AIB 8 1HB1 AIB 8 -3.266 -3.031 -2.339
62 2HB1 AIB 8 2HB1 AIB 8 -2.172 -4.252 -3.004
63 3HB1 AIB 8 3HB1 AIB 8 -3.587 -4.754 -2.055
64 1HB2 AIB 8 1HB2 AIB 8 -2.027 -6.145 -0.534
65 2HB2 AIB 8 2HB2 AIB 8 -0.638 -5.614 -1.508
66 3HB2 AIB 8 3HB2 AIB 8 -0.621 -5.385 0.244
67 H LEU 9 H LEU 9 -2.201 -1.435 -0.601
68 HA LEU 9 HA LEU 9 0.399 -0.500 -1.766
69 1HB LEU 9 1HB LEU 9 -2.051 0.924 -0.624
70 2HB LEU 9 2HB LEU 9 -0.623 1.802 -1.102
71 HG LEU 9 HG LEU 9 -2.040 -0.068 -3.089
72 1HD1 LEU 9 1HD1 LEU 9 -2.641 2.926 -2.693
73 2HD1 LEU 9 2HD1 LEU 9 -3.235 1.900 -4.025
74 3HD1 LEU 9 3HD1 LEU 9 -3.752 1.572 -2.362
75 1HD2 LEU 9 1HD2 LEU 9 0.313 0.644 -3.697
76 2HD2 LEU 9 2HD2 LEU 9 -0.882 1.321 -4.817
77 3HD2 LEU 9 3HD2 LEU 9 -0.164 2.347 -3.545
78 2HN AIB 10 HN AIB 10 -0.530 -1.365 1.462
79 1HB1 AIB 10 1HB1 AIB 10 0.162 -2.491 3.617
80 2HB1 AIB 10 2HB1 AIB 10 0.927 -1.465 4.833
81 3HB1 AIB 10 3HB1 AIB 10 -0.629 -1.003 4.122
82 1HB2 AIB 10 1HB2 AIB 10 0.089 1.238 3.398
83 2HB2 AIB 10 2HB2 AIB 10 1.621 0.943 4.252
84 3HB2 AIB 10 3HB2 AIB 10 1.634 1.510 2.581
85 HA HYP 11 HA HYP 11 4.950 -2.680 2.275
86 1HB HYP 11 1HB HYP 11 4.713 -4.750 0.433
87 2HB HYP 11 2HB HYP 11 4.422 -4.898 2.168
88 1HD HYP 11 1HD HYP 11 0.964 -3.268 1.398
89 2HD HYP 11 2HD HYP 11 1.678 -3.972 2.889
90 HOD HYP 11 HD1 HYP 11 1.261 -5.920 1.496
91 HG HYP 11 HG HYP 11 2.356 -4.476 -0.049
92 H GLN 12 H GLN 12 3.044 -1.058 -0.097
93 HA GLN 12 HA GLN 12 5.478 -0.659 -1.847
94 1HB GLN 12 1HB GLN 12 2.596 0.268 -2.450
95 2HB GLN 12 2HB GLN 12 3.996 0.404 -3.491
96 1HG GLN 12 1HG GLN 12 4.138 -2.172 -3.529
97 2HG GLN 12 2HG GLN 12 2.623 -2.188 -2.622
98 1HE2 GLN 12 1HE2 GLN 12 0.791 -1.920 -5.715
99 2HE2 GLN 12 2HE2 GLN 12 0.885 -2.499 -3.967
100 2HN AIB 13 HN AIB 13 4.574 0.591 0.884
101 1HB1 AIB 13 1HB1 AIB 13 4.632 1.858 2.879
102 2HB1 AIB 13 2HB1 AIB 13 5.713 3.255 3.074
103 3HB1 AIB 13 3HB1 AIB 13 4.139 3.403 2.266
104 1HB2 AIB 13 1HB2 AIB 13 4.616 4.138 0.068
105 2HB2 AIB 13 2HB2 AIB 13 6.144 4.623 0.856
106 3HB2 AIB 13 3HB2 AIB 13 6.180 3.796 -0.699
107 HA HYP 14 HA HYP 14 9.614 1.052 2.235
108 1HB HYP 14 1HB HYP 14 9.486 -1.750 2.720
109 2HB HYP 14 2HB HYP 14 9.415 -0.440 3.907
110 1HD HYP 14 1HD HYP 14 5.909 -0.535 1.903
111 2HD HYP 14 2HD HYP 14 6.084 0.497 3.306
112 HOD HYP 14 HD1 HYP 14 7.451 -0.322 4.987
113 HG HYP 14 HG HYP 14 7.214 -2.165 2.844
114 2HN AIB 15 HN AIB 15 7.845 -0.973 -0.205
115 1HB1 AIB 15 1HB1 AIB 15 7.392 -1.771 -2.529
116 2HB1 AIB 15 2HB1 AIB 15 8.616 -2.794 -3.290
117 3HB1 AIB 15 3HB1 AIB 15 7.911 -3.243 -1.721
118 1HB2 AIB 15 1HB2 AIB 15 10.089 -3.448 -0.521
119 2HB2 AIB 15 2HB2 AIB 15 10.826 -3.243 -2.134
120 3HB2 AIB 15 3HB2 AIB 15 11.376 -2.252 -0.776
121 HA PRO 16 HA PRO 16 10.749 1.510 -4.252
122 1HB PRO 16 1HB PRO 16 9.250 3.839 -3.921
123 2HB PRO 16 2HB PRO 16 8.834 2.535 -5.040
124 1HG PRO 16 1HG PRO 16 7.657 3.143 -2.331
125 2HG PRO 16 2HG PRO 16 6.852 2.483 -3.766
126 1HD PRO 16 1HD PRO 16 7.792 1.018 -1.496
127 2HD PRO 16 2HD PRO 16 7.310 0.259 -2.996
128 H1 PHL 17 H1 PHL 17 12.749 1.805 0.586
129 H2 PHL 17 H2 PHL 17 11.401 2.319 1.617
130 HO PHL 17 HO PHL 17 13.770 3.799 1.090
131 HA PHL 17 HA PHL 17 12.488 3.970 -0.730
132 2HN PHL 17 2HN PHL 17 10.013 2.120 -0.882
133 1HB PHL 17 1HB PHL 17 9.849 4.187 0.812
134 2HB PHL 17 2HB PHL 17 11.225 5.268 0.984
135 HD1 PHL 17 HD1 PHL 17 12.081 6.242 -1.524
136 HD2 PHL 17 HD2 PHL 17 8.077 5.084 -0.488
137 HE1 PHL 17 HE1 PHL 17 11.193 7.670 -3.325
138 HE2 PHL 17 HE2 PHL 17 7.200 6.508 -2.291
139 HZ PHL 17 HZ PHL 17 8.754 7.820 -3.700
Start of MODEL 20
1 1H ACE 1 H1 ACE 1 -13.601 -2.931 -1.065
2 2H ACE 1 H2 ACE 1 -12.241 -3.855 -1.751
3 3H ACE 1 H3 ACE 1 -12.410 -3.721 0.016
4 H TRP 2 H TRP 2 -12.962 -1.099 0.337
5 HA TRP 2 HA TRP 2 -10.840 0.589 -0.952
6 1HB TRP 2 1HB TRP 2 -13.306 1.325 -0.147
7 2HB TRP 2 2HB TRP 2 -12.544 1.566 1.399
8 HD1 TRP 2 HD1 TRP 2 -12.705 2.895 -2.234
9 HE1 TRP 2 HE1 TRP 2 -11.683 5.316 -2.463
10 HE3 TRP 2 HE3 TRP 2 -10.657 3.096 2.442
11 HZ2 TRP 2 HZ2 TRP 2 -10.154 6.967 -0.696
12 HZ3 TRP 2 HZ3 TRP 2 -9.435 5.137 3.120
13 HH2 TRP 2 HH2 TRP 2 -9.192 7.039 1.579
14 H ILE 3 H ILE 3 -11.385 -0.826 2.267
15 HA ILE 3 HA ILE 3 -8.688 -0.124 3.289
16 HB ILE 3 HB ILE 3 -10.548 -0.634 4.886
17 1HG1 ILE 3 1HG1 ILE 3 -9.148 -2.531 6.283
18 2HG1 ILE 3 2HG1 ILE 3 -7.914 -2.159 5.117
19 1HG2 ILE 3 1HG2 ILE 3 -10.403 -3.599 4.074
20 2HG2 ILE 3 2HG2 ILE 3 -11.352 -2.885 5.398
21 3HG2 ILE 3 3HG2 ILE 3 -11.735 -2.476 3.718
22 1HD1 ILE 3 1HD1 ILE 3 -9.287 -0.156 7.028
23 2HD1 ILE 3 2HD1 ILE 3 -7.628 -0.785 7.140
24 3HD1 ILE 3 3HD1 ILE 3 -8.068 0.317 5.810
25 H GLN 4 H GLN 4 -9.973 -2.956 1.535
26 HA GLN 4 HA GLN 4 -7.479 -4.459 1.377
27 1HB GLN 4 1HB GLN 4 -9.824 -4.213 -0.601
28 2HB GLN 4 2HB GLN 4 -8.468 -5.247 -0.940
29 1HG GLN 4 1HG GLN 4 -10.042 -5.611 1.679
30 2HG GLN 4 2HG GLN 4 -10.637 -6.236 0.159
31 1HE2 GLN 4 1HE2 GLN 4 -8.416 -9.061 0.229
32 2HE2 GLN 4 2HE2 GLN 4 -9.856 -8.205 -0.515
33 2HN DIV 5 HN DIV 5 -8.541 -1.679 -0.656
34 1HB1 DIV 5 1HB1 DIV 5 -5.587 -1.356 -3.548
35 2HB1 DIV 5 2HB1 DIV 5 -5.707 -2.838 -2.704
36 1HG1 DIV 5 1HG1 DIV 5 -7.840 -1.710 -4.618
37 2HG1 DIV 5 2HG1 DIV 5 -6.781 -3.112 -4.865
38 3HG1 DIV 5 3HG1 DIV 5 -8.069 -3.182 -3.628
39 1HB2 DIV 5 1HB2 DIV 5 -8.204 0.573 -1.513
40 2HB2 DIV 5 2HB2 DIV 5 -7.300 0.669 -3.030
41 3HB2 DIV 5 3HB2 DIV 5 -8.663 -0.455 -2.865
42 H ILE 6 H ILE 6 -6.873 0.319 0.294
43 HA ILE 6 HA ILE 6 -4.122 1.422 0.280
44 HB ILE 6 HB ILE 6 -6.226 1.377 2.505
45 1HG1 ILE 6 1HG1 ILE 6 -7.040 2.703 0.611
46 2HG1 ILE 6 2HG1 ILE 6 -6.702 3.722 1.980
47 1HG2 ILE 6 1HG2 ILE 6 -3.584 2.952 2.487
48 2HG2 ILE 6 2HG2 ILE 6 -4.939 3.262 3.604
49 3HG2 ILE 6 3HG2 ILE 6 -4.098 1.708 3.648
50 1HD1 ILE 6 1HD1 ILE 6 -4.912 3.468 -0.536
51 2HD1 ILE 6 2HD1 ILE 6 -5.970 4.831 -0.112
52 3HD1 ILE 6 3HD1 ILE 6 -4.528 4.494 0.868
53 H THR 7 H THR 7 -5.343 -1.621 1.467
54 HA THR 7 HA THR 7 -2.900 -2.208 3.100
55 HB THR 7 HB THR 7 -5.229 -4.028 2.321
56 HG1 THR 7 HG1 THR 7 -5.599 -2.285 3.759
57 1HG2 THR 7 1HG2 THR 7 -4.423 -5.526 4.189
58 2HG2 THR 7 2HG2 THR 7 -3.306 -5.516 2.806
59 3HG2 THR 7 3HG2 THR 7 -2.904 -4.593 4.279
60 2HN AIB 8 HN AIB 8 -3.975 -3.095 -0.200
61 1HB1 AIB 8 1HB1 AIB 8 -3.397 -2.777 -2.653
62 2HB1 AIB 8 2HB1 AIB 8 -2.336 -4.021 -3.334
63 3HB1 AIB 8 3HB1 AIB 8 -3.769 -4.496 -2.396
64 1HB2 AIB 8 1HB2 AIB 8 -2.303 -5.946 -0.868
65 2HB2 AIB 8 2HB2 AIB 8 -0.883 -5.487 -1.836
66 3HB2 AIB 8 3HB2 AIB 8 -0.862 -5.266 -0.084
67 H LEU 9 H LEU 9 -2.261 -1.205 -1.029
68 HA LEU 9 HA LEU 9 0.456 -0.473 -2.038
69 1HB LEU 9 1HB LEU 9 -1.980 1.117 -1.110
70 2HB LEU 9 2HB LEU 9 -0.480 1.903 -1.525
71 HG LEU 9 HG LEU 9 -1.714 -0.039 -3.554
72 1HD1 LEU 9 1HD1 LEU 9 -2.611 2.882 -3.241
73 2HD1 LEU 9 2HD1 LEU 9 -3.008 1.786 -4.598
74 3HD1 LEU 9 3HD1 LEU 9 -3.598 1.422 -2.966
75 1HD2 LEU 9 1HD2 LEU 9 0.617 0.820 -3.979
76 2HD2 LEU 9 2HD2 LEU 9 -0.528 1.364 -5.220
77 3HD2 LEU 9 3HD2 LEU 9 0.011 2.494 -3.947
78 2HN AIB 10 HN AIB 10 -0.611 -1.249 1.138
79 1HB1 AIB 10 1HB1 AIB 10 -0.080 -2.290 3.350
80 2HB1 AIB 10 2HB1 AIB 10 0.646 -1.252 4.579
81 3HB1 AIB 10 3HB1 AIB 10 -0.863 -0.774 3.784
82 1HB2 AIB 10 1HB2 AIB 10 -0.054 1.445 3.040
83 2HB2 AIB 10 2HB2 AIB 10 1.423 1.127 3.981
84 3HB2 AIB 10 3HB2 AIB 10 1.541 1.648 2.302
85 HA HYP 11 HA HYP 11 4.750 -2.609 2.336
86 1HB HYP 11 1HB HYP 11 4.618 -4.725 0.551
87 2HB HYP 11 2HB HYP 11 4.146 -4.827 2.248
88 1HD HYP 11 1HD HYP 11 0.831 -3.123 1.157
89 2HD HYP 11 2HD HYP 11 1.412 -3.835 2.703
90 HOD HYP 11 HD1 HYP 11 1.132 -5.710 1.654
91 HG HYP 11 HG HYP 11 2.323 -4.376 -0.168
92 H GLN 12 H GLN 12 3.015 -1.050 -0.211
93 HA GLN 12 HA GLN 12 5.549 -0.739 -1.832
94 1HB GLN 12 1HB GLN 12 2.729 0.263 -2.591
95 2HB GLN 12 2HB GLN 12 4.181 0.358 -3.565
96 1HG GLN 12 1HG GLN 12 4.245 -2.232 -3.556
97 2HG GLN 12 2HG GLN 12 2.681 -2.174 -2.741
98 1HE2 GLN 12 1HE2 GLN 12 1.069 -1.959 -5.948
99 2HE2 GLN 12 2HE2 GLN 12 1.065 -2.535 -4.195
100 2HN AIB 13 HN AIB 13 4.544 0.594 0.819
101 1HB1 AIB 13 1HB1 AIB 13 4.503 1.916 2.795
102 2HB1 AIB 13 2HB1 AIB 13 5.600 3.296 3.016
103 3HB1 AIB 13 3HB1 AIB 13 4.070 3.455 2.132
104 1HB2 AIB 13 1HB2 AIB 13 4.625 4.088 -0.090
105 2HB2 AIB 13 2HB2 AIB 13 6.046 4.641 0.826
106 3HB2 AIB 13 3HB2 AIB 13 6.265 3.799 -0.717
107 HA HYP 14 HA HYP 14 9.515 1.046 2.396
108 1HB HYP 14 1HB HYP 14 9.322 -1.746 2.956
109 2HB HYP 14 2HB HYP 14 9.223 -0.399 4.097
110 1HD HYP 14 1HD HYP 14 5.804 -0.513 1.942
111 2HD HYP 14 2HD HYP 14 5.931 0.566 3.312
112 HOD HYP 14 HD1 HYP 14 7.236 -0.212 5.080
113 HG HYP 14 HG HYP 14 7.034 -2.124 2.998
114 2HN AIB 15 HN AIB 15 7.834 -1.027 -0.054
115 1HB1 AIB 15 1HB1 AIB 15 7.478 -1.872 -2.387
116 2HB1 AIB 15 2HB1 AIB 15 8.711 -2.958 -3.039
117 3HB1 AIB 15 3HB1 AIB 15 7.913 -3.325 -1.493
118 1HB2 AIB 15 1HB2 AIB 15 10.050 -3.531 -0.180
119 2HB2 AIB 15 2HB2 AIB 15 10.862 -3.393 -1.767
120 3HB2 AIB 15 3HB2 AIB 15 11.361 -2.359 -0.421
121 HA PRO 16 HA PRO 16 11.012 1.301 -3.972
122 1HB PRO 16 1HB PRO 16 9.562 3.662 -3.787
123 2HB PRO 16 2HB PRO 16 9.145 2.329 -4.873
124 1HG PRO 16 1HG PRO 16 7.896 3.055 -2.219
125 2HG PRO 16 2HG PRO 16 7.114 2.399 -3.672
126 1HD PRO 16 1HD PRO 16 7.893 0.926 -1.365
127 2HD PRO 16 2HD PRO 16 7.482 0.173 -2.887
128 H1 PHL 17 H1 PHL 17 12.824 1.594 0.786
129 H2 PHL 17 H2 PHL 17 11.591 2.188 1.921
130 HO PHL 17 HO PHL 17 12.980 4.084 2.115
131 HA PHL 17 HA PHL 17 12.579 3.868 -0.454
132 2HN PHL 17 2HN PHL 17 10.095 2.033 -0.665
133 1HB PHL 17 1HB PHL 17 10.025 3.938 1.213
134 2HB PHL 17 2HB PHL 17 11.351 5.086 1.333
135 HD1 PHL 17 HD1 PHL 17 11.874 5.865 -1.553
136 HD2 PHL 17 HD2 PHL 17 8.165 5.170 0.497
137 HE1 PHL 17 HE1 PHL 17 10.698 7.298 -3.174
138 HE2 PHL 17 HE2 PHL 17 6.997 6.582 -1.145
139 HZ PHL 17 HZ PHL 17 8.264 7.672 -2.965