Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
628074 | 6gij RC | 34272 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 20.386 13.647 0.047
2 H2 LYS 1 HT2 LYS 1 19.223 13.857 1.269
3 H3 LYS 1 HT3 LYS 1 19.197 14.843 -0.115
4 HA LYS 1 HA LYS 1 17.715 12.653 0.257
5 HB2 LYS 1 HB2 LYS 1 17.540 14.558 -1.435
6 HB3 LYS 1 HB1 LYS 1 18.675 13.641 -2.454
7 HG2 LYS 1 HG2 LYS 1 17.053 11.649 -2.195
8 HG3 LYS 1 HG1 LYS 1 15.888 12.823 -1.540
9 HD2 LYS 1 HD2 LYS 1 17.215 12.923 -4.286
10 HD3 LYS 1 HD1 LYS 1 15.510 12.542 -3.949
11 HE2 LYS 1 HE2 LYS 1 16.952 15.195 -3.633
12 HE3 LYS 1 HE1 LYS 1 15.483 14.835 -4.567
13 HZ1 LYS 1 HZ1 LYS 1 14.669 15.835 -2.666
14 HZ2 LYS 1 HZ2 LYS 1 15.805 15.097 -1.641
15 HZ3 LYS 1 HZ3 LYS 1 14.521 14.190 -2.285
16 H LYS 2 HN LYS 2 19.494 11.185 1.158
17 HA LYS 2 HA LYS 2 20.831 9.301 0.912
18 HB2 LYS 2 HB2 LYS 2 18.968 9.093 -1.480
19 HB3 LYS 2 HB1 LYS 2 20.174 7.835 -1.127
20 HG2 LYS 2 HG2 LYS 2 17.917 7.340 -0.147
21 HG3 LYS 2 HG1 LYS 2 19.204 7.445 1.077
22 HD2 LYS 2 HD2 LYS 2 18.491 9.590 1.821
23 HD3 LYS 2 HD1 LYS 2 17.504 9.867 0.365
24 HE2 LYS 2 HE2 LYS 2 16.082 9.308 2.314
25 HE3 LYS 2 HE1 LYS 2 15.971 8.048 1.062
26 HZ1 LYS 2 HZ1 LYS 2 17.445 7.974 3.631
27 HZ2 LYS 2 HZ2 LYS 2 17.833 6.917 2.358
28 HZ3 LYS 2 HZ3 LYS 2 16.280 6.889 3.046
29 H LEU 3 HN LEU 3 22.045 7.979 -1.067
30 HA LEU 3 HA LEU 3 23.929 8.076 -2.407
31 HB2 LEU 3 HB2 LEU 3 23.053 10.850 -3.290
32 HB3 LEU 3 HB1 LEU 3 24.013 9.653 -4.189
33 HG LEU 3 HG LEU 3 21.068 9.413 -3.426
34 HD11 LEU 3 HD11 LEU 3 20.679 9.552 -5.827
35 HD12 LEU 3 HD12 LEU 3 22.430 9.568 -6.150
36 HD13 LEU 3 HD13 LEU 3 21.662 10.950 -5.332
37 HD21 LEU 3 HD21 LEU 3 21.945 7.193 -3.310
38 HD22 LEU 3 HD22 LEU 3 23.035 7.460 -4.692
39 HD23 LEU 3 HD23 LEU 3 21.279 7.325 -4.953
40 H LEU 4 HN LEU 4 23.390 9.871 0.256
41 HA LEU 4 HA LEU 4 25.649 11.724 0.106
42 HB2 LEU 4 HB2 LEU 4 24.391 10.711 2.675
43 HB3 LEU 4 HB1 LEU 4 25.170 12.276 2.357
44 HG LEU 4 HG LEU 4 22.549 11.302 1.145
45 HD11 LEU 4 HD11 LEU 4 22.364 11.919 3.522
46 HD12 LEU 4 HD12 LEU 4 21.576 13.146 2.502
47 HD13 LEU 4 HD13 LEU 4 23.183 13.465 3.198
48 HD21 LEU 4 HD21 LEU 4 24.210 13.828 0.762
49 HD22 LEU 4 HD22 LEU 4 22.471 13.769 0.385
50 HD23 LEU 4 HD23 LEU 4 23.606 12.714 -0.486
51 HA PRO 5 HA PRO 5 27.971 8.333 2.458
52 HB2 PRO 5 HB2 PRO 5 27.008 5.833 2.741
53 HB3 PRO 5 HB1 PRO 5 26.361 7.184 3.727
54 HG2 PRO 5 HG2 PRO 5 25.165 5.828 1.333
55 HG3 PRO 5 HG1 PRO 5 24.362 6.491 2.789
56 HD2 PRO 5 HD2 PRO 5 24.634 7.807 0.261
57 HD3 PRO 5 HD1 PRO 5 24.102 8.566 1.795
58 H ILE 6 HN ILE 6 27.820 8.848 -0.404
59 HA ILE 6 HA ILE 6 29.450 6.529 -1.340
60 HB ILE 6 HB ILE 6 27.244 7.682 -3.104
61 HG12 ILE 6 HG12 ILE 6 27.208 5.185 -1.346
62 HG13 ILE 6 HG11 ILE 6 26.147 6.605 -1.198
63 HG21 ILE 6 HG21 ILE 6 27.763 5.844 -4.548
64 HG22 ILE 6 HG22 ILE 6 28.720 5.024 -3.291
65 HG23 ILE 6 HG23 ILE 6 29.336 6.510 -4.054
66 HD11 ILE 6 HD1 ILE 6 24.829 5.021 -2.377
67 HD12 ILE 6 HD2 ILE 6 26.197 4.504 -3.389
68 HD13 ILE 6 HD3 ILE 6 25.446 6.097 -3.652
69 H VAL 7 HN VAL 7 27.960 9.614 -2.454
70 HA VAL 7 HA VAL 7 30.134 10.303 -4.151
71 HB VAL 7 HB VAL 7 28.241 12.191 -2.743
72 HG11 VAL 7 HG11 VAL 7 30.070 13.391 -3.783
73 HG12 VAL 7 HG12 VAL 7 28.655 13.565 -4.848
74 HG13 VAL 7 HG13 VAL 7 29.946 12.411 -5.263
75 HG21 VAL 7 HG21 VAL 7 26.780 11.947 -4.697
76 HG22 VAL 7 HG22 VAL 7 27.079 10.342 -3.990
77 HG23 VAL 7 HG23 VAL 7 27.941 10.839 -5.466
78 H ALA 8 HN ALA 8 29.495 10.641 -0.919
79 HA ALA 8 HA ALA 8 31.596 12.580 -0.288
80 HB1 ALA 8 HB1 ALA 8 29.609 12.426 1.116
81 HB2 ALA 8 HB2 ALA 8 31.055 12.013 2.068
82 HB3 ALA 8 HB3 ALA 8 29.972 10.725 1.488
83 H ASN 9 HN ASN 9 31.299 9.087 -0.510
84 HA ASN 9 HA ASN 9 33.691 8.481 1.013
85 HB2 ASN 9 HB2 ASN 9 31.873 6.836 0.557
86 HB3 ASN 9 HB1 ASN 9 32.325 6.851 -1.165
87 HD21 ASN 9 HD21 ASN 9 32.604 4.826 1.317
88 HD22 ASN 9 HD22 ASN 9 34.254 4.236 1.093
89 H LEU 10 HN LEU 10 32.965 9.058 -2.424
90 HA LEU 10 HA LEU 10 35.685 8.436 -3.288
91 HB2 LEU 10 HB2 LEU 10 33.566 8.280 -4.707
92 HB3 LEU 10 HB1 LEU 10 33.576 10.056 -4.759
93 HG LEU 10 HG LEU 10 36.087 9.758 -5.579
94 HD11 LEU 10 HD11 LEU 10 36.316 7.679 -6.995
95 HD12 LEU 10 HD12 LEU 10 34.852 7.037 -6.218
96 HD13 LEU 10 HD13 LEU 10 36.310 7.351 -5.249
97 HD21 LEU 10 HD21 LEU 10 34.254 10.698 -6.950
98 HD22 LEU 10 HD22 LEU 10 33.711 9.054 -7.361
99 HD23 LEU 10 HD23 LEU 10 35.295 9.635 -7.926
100 H LEU 11 HN LEU 11 33.874 11.313 -2.312
101 HA LEU 11 HA LEU 11 35.598 13.310 -3.323
102 HB2 LEU 11 HB2 LEU 11 33.314 13.442 -2.008
103 HB3 LEU 11 HB1 LEU 11 34.346 13.562 -0.569
104 HG LEU 11 HG LEU 11 34.424 15.396 -3.009
105 HD11 LEU 11 HD11 LEU 11 33.667 15.990 -0.117
106 HD12 LEU 11 HD12 LEU 11 32.483 15.643 -1.399
107 HD13 LEU 11 HD13 LEU 11 33.524 17.082 -1.514
108 HD21 LEU 11 HD21 LEU 11 35.980 16.731 -1.391
109 HD22 LEU 11 HD22 LEU 11 36.667 15.318 -2.221
110 HD23 LEU 11 HD23 LEU 11 36.162 15.191 -0.518
111 H LYS 12 HN LYS 12 35.568 12.387 0.150
112 HA LYS 12 HA LYS 12 38.326 13.281 0.458
113 HB2 LYS 12 HB2 LYS 12 36.429 11.764 2.291
114 HB3 LYS 12 HB1 LYS 12 38.053 12.313 2.771
115 HG2 LYS 12 HG2 LYS 12 37.419 14.652 2.223
116 HG3 LYS 12 HG1 LYS 12 35.787 14.096 1.777
117 HD2 LYS 12 HD2 LYS 12 35.433 13.246 4.068
118 HD3 LYS 12 HD1 LYS 12 37.074 13.764 4.523
119 HE2 LYS 12 HE2 LYS 12 34.860 15.612 3.529
120 HE3 LYS 12 HE1 LYS 12 35.358 15.423 5.227
121 HZ1 LYS 12 HZ1 LYS 12 36.638 16.867 3.077
122 HZ2 LYS 12 HZ2 LYS 12 37.702 15.887 3.969
123 HZ3 LYS 12 HZ3 LYS 12 36.772 17.072 4.756
124 H SER 13 HN SER 13 37.258 10.203 1.802
125 HA SER 13 HA SER 13 38.746 8.550 -0.062
126 HB2 SER 13 HB2 SER 13 40.026 9.189 2.623
127 HB3 SER 13 HB1 SER 13 40.512 7.838 1.576
128 HG SER 13 HG SER 13 41.482 9.211 0.302
129 H LEU 14 HN LEU 14 39.128 7.717 3.272
130 HA LEU 14 HA LEU 14 37.325 5.453 2.975
131 HB2 LEU 14 HB2 LEU 14 38.474 6.514 5.582
132 HB3 LEU 14 HB1 LEU 14 38.009 4.844 5.180
133 HG LEU 14 HG LEU 14 40.294 6.408 3.892
134 HD11 LEU 14 HD11 LEU 14 41.749 4.873 5.133
135 HD12 LEU 14 HD12 LEU 14 40.331 4.042 5.818
136 HD13 LEU 14 HD13 LEU 14 40.680 5.729 6.270
137 HD21 LEU 14 HD21 LEU 14 39.164 3.607 3.482
138 HD22 LEU 14 HD22 LEU 14 40.839 4.017 3.040
139 HD23 LEU 14 HD23 LEU 14 39.484 4.859 2.258
140 H LEU 15 HN LEU 15 37.309 8.338 5.121
141 HA LEU 15 HA LEU 15 34.585 7.822 6.001
142 HB2 LEU 15 HB2 LEU 15 36.035 10.485 6.152
143 HB3 LEU 15 HB1 LEU 15 34.799 9.830 7.253
144 HG LEU 15 HG LEU 15 37.634 8.767 6.875
145 HD11 LEU 15 HD11 LEU 15 38.013 9.571 9.129
146 HD12 LEU 15 HD12 LEU 15 36.297 10.003 9.319
147 HD13 LEU 15 HD13 LEU 15 37.325 10.915 8.188
148 HD21 LEU 15 HD21 LEU 15 35.245 7.764 8.478
149 HD22 LEU 15 HD22 LEU 15 36.918 7.340 8.918
150 HD23 LEU 15 HD23 LEU 15 36.266 6.859 7.335
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 17.371 4.162 -4.863
2 H2 LYS 1 HT2 LYS 1 17.752 5.692 -5.497
3 H3 LYS 1 HT3 LYS 1 16.357 5.483 -4.549
4 HA LYS 1 HA LYS 1 17.612 6.286 -2.934
5 HB2 LYS 1 HB2 LYS 1 18.690 3.446 -3.138
6 HB3 LYS 1 HB1 LYS 1 18.790 4.492 -1.701
7 HG2 LYS 1 HG2 LYS 1 16.226 4.684 -1.843
8 HG3 LYS 1 HG1 LYS 1 16.294 3.350 -3.019
9 HD2 LYS 1 HD2 LYS 1 17.309 3.295 -0.141
10 HD3 LYS 1 HD1 LYS 1 15.886 2.440 -0.780
11 HE2 LYS 1 HE2 LYS 1 18.821 1.913 -1.343
12 HE3 LYS 1 HE1 LYS 1 17.581 0.781 -0.757
13 HZ1 LYS 1 HZ1 LYS 1 18.160 0.513 -3.141
14 HZ2 LYS 1 HZ2 LYS 1 17.529 2.061 -3.443
15 HZ3 LYS 1 HZ3 LYS 1 16.515 0.823 -2.873
16 H LYS 2 HN LYS 2 19.091 7.829 -3.183
17 HA LYS 2 HA LYS 2 21.886 7.082 -3.597
18 HB2 LYS 2 HB2 LYS 2 22.189 8.546 -5.618
19 HB3 LYS 2 HB1 LYS 2 21.240 7.073 -5.938
20 HG2 LYS 2 HG2 LYS 2 19.139 8.394 -5.646
21 HG3 LYS 2 HG1 LYS 2 20.121 9.863 -5.425
22 HD2 LYS 2 HD2 LYS 2 21.100 9.566 -7.672
23 HD3 LYS 2 HD1 LYS 2 20.151 8.077 -7.898
24 HE2 LYS 2 HE2 LYS 2 18.985 9.913 -9.003
25 HE3 LYS 2 HE1 LYS 2 18.054 9.431 -7.565
26 HZ1 LYS 2 HZ1 LYS 2 18.339 11.862 -7.794
27 HZ2 LYS 2 HZ2 LYS 2 20.019 11.666 -7.625
28 HZ3 LYS 2 HZ3 LYS 2 18.981 11.256 -6.345
29 H LEU 3 HN LEU 3 23.142 9.301 -4.069
30 HA LEU 3 HA LEU 3 23.700 11.387 -3.236
31 HB2 LEU 3 HB2 LEU 3 21.100 11.802 -3.724
32 HB3 LEU 3 HB1 LEU 3 20.983 11.781 -1.952
33 HG LEU 3 HG LEU 3 23.044 13.476 -2.086
34 HD11 LEU 3 HD11 LEU 3 23.377 13.295 -4.533
35 HD12 LEU 3 HD12 LEU 3 22.885 14.945 -4.093
36 HD13 LEU 3 HD13 LEU 3 21.702 13.826 -4.809
37 HD21 LEU 3 HD21 LEU 3 21.441 15.370 -2.167
38 HD22 LEU 3 HD22 LEU 3 20.803 14.029 -1.187
39 HD23 LEU 3 HD23 LEU 3 20.199 14.288 -2.841
40 H LEU 4 HN LEU 4 22.755 8.683 -1.601
41 HA LEU 4 HA LEU 4 22.944 9.609 1.144
42 HB2 LEU 4 HB2 LEU 4 23.007 6.947 -0.285
43 HB3 LEU 4 HB1 LEU 4 23.545 7.000 1.407
44 HG LEU 4 HG LEU 4 21.376 8.073 2.036
45 HD11 LEU 4 HD11 LEU 4 20.810 7.643 -0.925
46 HD12 LEU 4 HD12 LEU 4 20.782 9.180 -0.026
47 HD13 LEU 4 HD13 LEU 4 19.537 7.946 0.281
48 HD21 LEU 4 HD21 LEU 4 20.034 6.053 1.835
49 HD22 LEU 4 HD22 LEU 4 21.732 5.566 2.047
50 HD23 LEU 4 HD23 LEU 4 20.985 5.507 0.434
51 HA PRO 5 HA PRO 5 27.281 10.161 1.952
52 HB2 PRO 5 HB2 PRO 5 27.083 7.762 3.799
53 HB3 PRO 5 HB1 PRO 5 27.870 9.348 4.078
54 HG2 PRO 5 HG2 PRO 5 25.476 8.813 5.122
55 HG3 PRO 5 HG1 PRO 5 25.844 10.432 4.450
56 HD2 PRO 5 HD2 PRO 5 24.115 8.256 3.299
57 HD3 PRO 5 HD1 PRO 5 24.000 10.036 3.109
58 H ILE 6 HN ILE 6 27.695 9.423 -0.282
59 HA ILE 6 HA ILE 6 29.440 7.020 -0.273
60 HB ILE 6 HB ILE 6 27.229 7.296 -2.367
61 HG12 ILE 6 HG12 ILE 6 27.436 5.473 0.078
62 HG13 ILE 6 HG11 ILE 6 26.178 6.684 -0.245
63 HG21 ILE 6 HG21 ILE 6 29.036 4.919 -1.749
64 HG22 ILE 6 HG22 ILE 6 29.473 6.158 -2.946
65 HG23 ILE 6 HG23 ILE 6 28.014 5.175 -3.183
66 HD11 ILE 6 HD1 ILE 6 25.704 5.327 -2.417
67 HD12 ILE 6 HD2 ILE 6 25.160 4.639 -0.869
68 HD13 ILE 6 HD3 ILE 6 26.644 4.030 -1.637
69 H VAL 7 HN VAL 7 27.866 9.487 -2.368
70 HA VAL 7 HA VAL 7 29.967 9.673 -4.236
71 HB VAL 7 HB VAL 7 28.181 11.930 -3.319
72 HG11 VAL 7 HG11 VAL 7 29.755 11.387 -5.874
73 HG12 VAL 7 HG12 VAL 7 29.953 12.748 -4.745
74 HG13 VAL 7 HG13 VAL 7 28.492 12.634 -5.755
75 HG21 VAL 7 HG21 VAL 7 27.715 9.843 -5.501
76 HG22 VAL 7 HG22 VAL 7 26.630 11.194 -5.097
77 HG23 VAL 7 HG23 VAL 7 26.890 9.881 -3.924
78 H ALA 8 HN ALA 8 29.511 10.911 -1.198
79 HA ALA 8 HA ALA 8 31.653 12.899 -1.228
80 HB1 ALA 8 HB1 ALA 8 29.645 12.982 0.283
81 HB2 ALA 8 HB2 ALA 8 31.202 13.147 1.129
82 HB3 ALA 8 HB3 ALA 8 30.322 11.600 1.173
83 H ASN 9 HN ASN 9 31.252 9.551 -0.062
84 HA ASN 9 HA ASN 9 33.706 9.265 1.299
85 HB2 ASN 9 HB2 ASN 9 31.945 7.544 1.295
86 HB3 ASN 9 HB1 ASN 9 32.249 7.223 -0.429
87 HD21 ASN 9 HD21 ASN 9 33.090 5.087 -0.274
88 HD22 ASN 9 HD22 ASN 9 34.570 4.713 0.615
89 H LEU 10 HN LEU 10 33.061 9.663 -2.089
90 HA LEU 10 HA LEU 10 35.508 8.439 -3.059
91 HB2 LEU 10 HB2 LEU 10 33.983 10.671 -4.443
92 HB3 LEU 10 HB1 LEU 10 34.917 9.344 -5.173
93 HG LEU 10 HG LEU 10 32.291 9.095 -3.643
94 HD11 LEU 10 HD11 LEU 10 32.137 9.962 -5.980
95 HD12 LEU 10 HD12 LEU 10 31.408 8.347 -5.813
96 HD13 LEU 10 HD13 LEU 10 33.018 8.525 -6.551
97 HD21 LEU 10 HD21 LEU 10 33.550 7.129 -3.107
98 HD22 LEU 10 HD22 LEU 10 34.227 7.018 -4.750
99 HD23 LEU 10 HD23 LEU 10 32.509 6.652 -4.467
100 H LEU 11 HN LEU 11 34.526 11.754 -2.170
101 HA LEU 11 HA LEU 11 37.094 12.910 -2.914
102 HB2 LEU 11 HB2 LEU 11 35.127 14.111 -0.939
103 HB3 LEU 11 HB1 LEU 11 36.228 14.943 -2.061
104 HG LEU 11 HG LEU 11 33.775 13.292 -2.810
105 HD11 LEU 11 HD11 LEU 11 34.384 16.254 -3.201
106 HD12 LEU 11 HD12 LEU 11 33.398 15.604 -1.868
107 HD13 LEU 11 HD13 LEU 11 32.853 15.417 -3.552
108 HD21 LEU 11 HD21 LEU 11 35.394 12.931 -4.546
109 HD22 LEU 11 HD22 LEU 11 35.950 14.620 -4.482
110 HD23 LEU 11 HD23 LEU 11 34.342 14.234 -5.143
111 H LYS 12 HN LYS 12 35.736 11.362 -0.081
112 HA LYS 12 HA LYS 12 37.740 12.368 1.778
113 HB2 LYS 12 HB2 LYS 12 35.426 11.471 2.365
114 HB3 LYS 12 HB1 LYS 12 36.069 9.843 2.048
115 HG2 LYS 12 HG2 LYS 12 37.950 10.418 3.708
116 HG3 LYS 12 HG1 LYS 12 36.979 11.838 4.161
117 HD2 LYS 12 HD2 LYS 12 36.116 8.916 4.327
118 HD3 LYS 12 HD1 LYS 12 36.486 9.991 5.695
119 HE2 LYS 12 HE2 LYS 12 34.130 10.097 3.785
120 HE3 LYS 12 HE1 LYS 12 34.120 10.050 5.564
121 HZ1 LYS 12 HZ1 LYS 12 33.792 12.254 5.272
122 HZ2 LYS 12 HZ2 LYS 12 34.557 12.304 3.756
123 HZ3 LYS 12 HZ3 LYS 12 35.485 12.279 5.178
124 H SER 13 HN SER 13 37.282 9.379 -0.128
125 HA SER 13 HA SER 13 39.439 7.883 0.910
126 HB2 SER 13 HB2 SER 13 37.733 7.053 -0.722
127 HB3 SER 13 HB1 SER 13 38.535 8.000 -1.995
128 HG SER 13 HG SER 13 39.323 5.875 -1.970
129 H LEU 14 HN LEU 14 41.448 7.298 -0.449
130 HA LEU 14 HA LEU 14 42.650 9.348 -2.074
131 HB2 LEU 14 HB2 LEU 14 42.808 10.660 -0.056
132 HB3 LEU 14 HB1 LEU 14 43.412 9.271 0.872
133 HG LEU 14 HG LEU 14 45.515 9.279 -0.337
134 HD11 LEU 14 HD11 LEU 14 44.098 11.287 -2.136
135 HD12 LEU 14 HD12 LEU 14 44.906 9.767 -2.592
136 HD13 LEU 14 HD13 LEU 14 45.875 11.169 -2.083
137 HD21 LEU 14 HD21 LEU 14 46.366 11.515 0.252
138 HD22 LEU 14 HD22 LEU 14 45.242 10.935 1.504
139 HD23 LEU 14 HD23 LEU 14 44.704 12.147 0.318
140 H LEU 15 HN LEU 15 43.688 7.093 0.535
141 HA LEU 15 HA LEU 15 45.909 6.091 -1.006
142 HB2 LEU 15 HB2 LEU 15 45.964 5.944 1.405
143 HB3 LEU 15 HB1 LEU 15 44.439 5.035 1.442
144 HG LEU 15 HG LEU 15 45.480 3.096 0.420
145 HD11 LEU 15 HD11 LEU 15 48.039 3.228 -0.028
146 HD12 LEU 15 HD12 LEU 15 47.820 4.995 -0.017
147 HD13 LEU 15 HD13 LEU 15 46.962 3.997 -1.216
148 HD21 LEU 15 HD21 LEU 15 47.396 4.251 2.496
149 HD22 LEU 15 HD22 LEU 15 47.131 2.528 2.132
150 HD23 LEU 15 HD23 LEU 15 45.832 3.490 2.876
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 18.433 8.883 -3.577
2 H2 LYS 1 HT2 LYS 1 17.370 9.251 -4.850
3 H3 LYS 1 HT3 LYS 1 17.080 9.862 -3.291
4 HA LYS 1 HA LYS 1 18.467 11.040 -5.354
5 HB2 LYS 1 HB2 LYS 1 18.751 12.857 -3.687
6 HB3 LYS 1 HB1 LYS 1 17.092 12.211 -3.700
7 HG2 LYS 1 HG2 LYS 1 17.876 10.646 -1.783
8 HG3 LYS 1 HG1 LYS 1 19.298 11.710 -1.663
9 HD2 LYS 1 HD2 LYS 1 16.377 12.557 -1.397
10 HD3 LYS 1 HD1 LYS 1 17.565 12.440 -0.077
11 HE2 LYS 1 HE2 LYS 1 17.515 14.401 -2.397
12 HE3 LYS 1 HE1 LYS 1 17.521 14.750 -0.653
13 HZ1 LYS 1 HZ1 LYS 1 19.705 15.112 -1.312
14 HZ2 LYS 1 HZ2 LYS 1 19.738 13.767 -2.351
15 HZ3 LYS 1 HZ3 LYS 1 19.760 13.545 -0.667
16 H LYS 2 HN LYS 2 20.571 11.786 -5.576
17 HA LYS 2 HA LYS 2 22.613 9.953 -4.599
18 HB2 LYS 2 HB2 LYS 2 23.048 12.636 -5.956
19 HB3 LYS 2 HB1 LYS 2 24.128 11.222 -5.950
20 HG2 LYS 2 HG2 LYS 2 22.325 9.923 -7.146
21 HG3 LYS 2 HG1 LYS 2 21.396 11.435 -7.283
22 HD2 LYS 2 HD2 LYS 2 23.421 12.468 -8.416
23 HD3 LYS 2 HD1 LYS 2 24.145 10.843 -8.455
24 HE2 LYS 2 HE2 LYS 2 22.103 10.023 -9.682
25 HE3 LYS 2 HE1 LYS 2 21.525 11.706 -9.753
26 HZ1 LYS 2 HZ1 LYS 2 23.588 12.296 -10.909
27 HZ2 LYS 2 HZ2 LYS 2 22.701 11.129 -11.768
28 HZ3 LYS 2 HZ3 LYS 2 24.080 10.673 -10.886
29 H LEU 3 HN LEU 3 24.657 12.094 -4.417
30 HA LEU 3 HA LEU 3 25.740 13.224 -2.714
31 HB2 LEU 3 HB2 LEU 3 23.015 13.851 -1.522
32 HB3 LEU 3 HB1 LEU 3 24.516 14.798 -1.411
33 HG LEU 3 HG LEU 3 22.835 14.331 -3.915
34 HD11 LEU 3 HD11 LEU 3 21.956 16.001 -2.290
35 HD12 LEU 3 HD12 LEU 3 22.500 16.769 -3.802
36 HD13 LEU 3 HD13 LEU 3 23.517 16.855 -2.342
37 HD21 LEU 3 HD21 LEU 3 25.105 14.364 -4.671
38 HD22 LEU 3 HD22 LEU 3 25.567 15.614 -3.490
39 HD23 LEU 3 HD23 LEU 3 24.535 16.036 -4.878
40 H LEU 4 HN LEU 4 24.060 10.438 -2.368
41 HA LEU 4 HA LEU 4 23.820 10.061 0.436
42 HB2 LEU 4 HB2 LEU 4 24.703 7.981 -1.601
43 HB3 LEU 4 HB1 LEU 4 23.912 7.672 -0.041
44 HG LEU 4 HG LEU 4 22.673 9.257 -2.336
45 HD11 LEU 4 HD11 LEU 4 22.037 6.437 -1.366
46 HD12 LEU 4 HD12 LEU 4 23.024 6.803 -2.802
47 HD13 LEU 4 HD13 LEU 4 21.311 7.282 -2.753
48 HD21 LEU 4 HD21 LEU 4 20.554 8.699 -0.890
49 HD22 LEU 4 HD22 LEU 4 21.620 10.009 -0.344
50 HD23 LEU 4 HD23 LEU 4 21.715 8.407 0.427
51 HA PRO 5 HA PRO 5 27.819 10.144 2.376
52 HB2 PRO 5 HB2 PRO 5 27.216 7.233 2.990
53 HB3 PRO 5 HB1 PRO 5 27.945 8.486 4.049
54 HG2 PRO 5 HG2 PRO 5 25.347 7.845 4.244
55 HG3 PRO 5 HG1 PRO 5 25.908 9.535 4.435
56 HD2 PRO 5 HD2 PRO 5 24.372 8.314 2.179
57 HD3 PRO 5 HD1 PRO 5 24.511 10.035 2.662
58 H ILE 6 HN ILE 6 26.949 7.486 0.193
59 HA ILE 6 HA ILE 6 29.625 6.507 -0.216
60 HB ILE 6 HB ILE 6 27.375 6.423 -2.271
61 HG12 ILE 6 HG12 ILE 6 27.844 4.672 0.187
62 HG13 ILE 6 HG11 ILE 6 26.447 5.734 -0.106
63 HG21 ILE 6 HG21 ILE 6 29.768 5.626 -2.805
64 HG22 ILE 6 HG22 ILE 6 28.471 4.436 -3.047
65 HG23 ILE 6 HG23 ILE 6 29.502 4.347 -1.599
66 HD11 ILE 6 HD1 ILE 6 27.195 3.156 -1.525
67 HD12 ILE 6 HD2 ILE 6 26.087 4.334 -2.273
68 HD13 ILE 6 HD3 ILE 6 25.667 3.577 -0.719
69 H VAL 7 HN VAL 7 27.581 8.824 -2.039
70 HA VAL 7 HA VAL 7 29.461 9.383 -4.067
71 HB VAL 7 HB VAL 7 27.492 11.322 -2.845
72 HG11 VAL 7 HG11 VAL 7 29.022 12.463 -4.332
73 HG12 VAL 7 HG12 VAL 7 27.501 12.231 -5.228
74 HG13 VAL 7 HG13 VAL 7 28.895 11.171 -5.548
75 HG21 VAL 7 HG21 VAL 7 26.425 9.170 -3.506
76 HG22 VAL 7 HG22 VAL 7 27.121 9.335 -5.135
77 HG23 VAL 7 HG23 VAL 7 25.910 10.507 -4.562
78 H ALA 8 HN ALA 8 29.136 10.370 -0.923
79 HA ALA 8 HA ALA 8 31.072 12.584 -1.020
80 HB1 ALA 8 HB1 ALA 8 30.709 12.752 1.363
81 HB2 ALA 8 HB2 ALA 8 29.929 11.152 1.403
82 HB3 ALA 8 HB3 ALA 8 29.136 12.509 0.568
83 H ASN 9 HN ASN 9 31.022 9.156 -0.116
84 HA ASN 9 HA ASN 9 33.436 8.958 1.301
85 HB2 ASN 9 HB2 ASN 9 31.797 7.100 0.829
86 HB3 ASN 9 HB1 ASN 9 32.483 6.987 -0.810
87 HD21 ASN 9 HD21 ASN 9 32.953 6.131 2.557
88 HD22 ASN 9 HD22 ASN 9 34.520 5.344 2.340
89 H LEU 10 HN LEU 10 32.891 9.439 -2.151
90 HA LEU 10 HA LEU 10 35.556 8.784 -3.016
91 HB2 LEU 10 HB2 LEU 10 33.761 10.861 -4.317
92 HB3 LEU 10 HB1 LEU 10 34.955 9.788 -5.086
93 HG LEU 10 HG LEU 10 32.314 8.960 -3.802
94 HD11 LEU 10 HD11 LEU 10 32.137 9.980 -6.053
95 HD12 LEU 10 HD12 LEU 10 31.768 8.240 -6.108
96 HD13 LEU 10 HD13 LEU 10 33.350 8.832 -6.669
97 HD21 LEU 10 HD21 LEU 10 33.011 6.671 -4.789
98 HD22 LEU 10 HD22 LEU 10 33.849 7.189 -3.309
99 HD23 LEU 10 HD23 LEU 10 34.657 7.343 -4.889
100 H LEU 11 HN LEU 11 33.993 11.836 -2.009
101 HA LEU 11 HA LEU 11 36.454 13.383 -2.400
102 HB2 LEU 11 HB2 LEU 11 34.057 14.225 -0.735
103 HB3 LEU 11 HB1 LEU 11 35.188 15.245 -1.656
104 HG LEU 11 HG LEU 11 33.154 13.291 -2.823
105 HD11 LEU 11 HD11 LEU 11 33.335 16.326 -3.032
106 HD12 LEU 11 HD12 LEU 11 32.287 15.471 -1.876
107 HD13 LEU 11 HD13 LEU 11 32.023 15.282 -3.626
108 HD21 LEU 11 HD21 LEU 11 33.916 14.442 -5.005
109 HD22 LEU 11 HD22 LEU 11 35.050 13.275 -4.292
110 HD23 LEU 11 HD23 LEU 11 35.324 15.022 -4.083
111 H LYS 12 HN LYS 12 37.072 11.169 -0.849
112 HA LYS 12 HA LYS 12 38.167 12.492 1.508
113 HB2 LYS 12 HB2 LYS 12 35.766 11.936 2.178
114 HB3 LYS 12 HB1 LYS 12 36.215 10.220 2.031
115 HG2 LYS 12 HG2 LYS 12 38.134 10.683 3.635
116 HG3 LYS 12 HG1 LYS 12 37.432 12.297 3.898
117 HD2 LYS 12 HD2 LYS 12 35.243 11.120 4.498
118 HD3 LYS 12 HD1 LYS 12 36.163 9.596 4.501
119 HE2 LYS 12 HE2 LYS 12 36.465 11.996 6.330
120 HE3 LYS 12 HE1 LYS 12 36.238 10.286 6.766
121 HZ1 LYS 12 HZ1 LYS 12 38.427 9.782 6.029
122 HZ2 LYS 12 HZ2 LYS 12 38.548 11.142 7.041
123 HZ3 LYS 12 HZ3 LYS 12 38.642 11.324 5.355
124 H SER 13 HN SER 13 37.393 9.454 -0.188
125 HA SER 13 HA SER 13 39.485 7.906 1.052
126 HB2 SER 13 HB2 SER 13 39.076 6.299 -0.723
127 HB3 SER 13 HB1 SER 13 37.517 6.958 -0.177
128 HG SER 13 HG SER 13 37.541 8.336 -1.967
129 H LEU 14 HN LEU 14 41.350 9.233 1.048
130 HA LEU 14 HA LEU 14 43.321 10.080 0.156
131 HB2 LEU 14 HB2 LEU 14 42.982 8.062 -2.088
132 HB3 LEU 14 HB1 LEU 14 44.484 8.643 -1.330
133 HG LEU 14 HG LEU 14 42.345 6.910 -0.013
134 HD11 LEU 14 HD11 LEU 14 45.257 6.297 -0.670
135 HD12 LEU 14 HD12 LEU 14 43.889 5.827 -1.708
136 HD13 LEU 14 HD13 LEU 14 44.025 5.166 -0.061
137 HD21 LEU 14 HD21 LEU 14 43.239 8.313 1.711
138 HD22 LEU 14 HD22 LEU 14 44.886 8.223 1.042
139 HD23 LEU 14 HD23 LEU 14 44.161 6.797 1.825
140 H LEU 15 HN LEU 15 44.119 9.997 -2.665
141 HA LEU 15 HA LEU 15 42.831 12.498 -3.479
142 HB2 LEU 15 HB2 LEU 15 44.986 10.716 -4.657
143 HB3 LEU 15 HB1 LEU 15 44.359 12.117 -5.545
144 HG LEU 15 HG LEU 15 46.486 12.487 -4.147
145 HD11 LEU 15 HD11 LEU 15 44.223 14.328 -3.282
146 HD12 LEU 15 HD12 LEU 15 44.829 14.306 -4.953
147 HD13 LEU 15 HD13 LEU 15 45.921 14.728 -3.616
148 HD21 LEU 15 HD21 LEU 15 45.618 11.162 -2.164
149 HD22 LEU 15 HD22 LEU 15 44.525 12.523 -1.811
150 HD23 LEU 15 HD23 LEU 15 46.286 12.760 -1.759
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 19.703 6.795 -2.910
2 H2 LYS 1 HT2 LYS 1 18.715 7.867 -3.782
3 H3 LYS 1 HT3 LYS 1 18.071 6.420 -3.167
4 HA LYS 1 HA LYS 1 18.179 8.921 -1.975
5 HB2 LYS 1 HB2 LYS 1 17.319 6.173 -0.985
6 HB3 LYS 1 HB1 LYS 1 16.930 7.714 -0.183
7 HG2 LYS 1 HG2 LYS 1 15.645 8.479 -2.066
8 HG3 LYS 1 HG1 LYS 1 16.243 7.154 -3.096
9 HD2 LYS 1 HD2 LYS 1 13.939 6.698 -2.303
10 HD3 LYS 1 HD1 LYS 1 15.089 5.504 -1.660
11 HE2 LYS 1 HE2 LYS 1 14.430 7.992 -0.050
12 HE3 LYS 1 HE1 LYS 1 13.336 6.589 -0.025
13 HZ1 LYS 1 HZ1 LYS 1 14.707 5.567 1.356
14 HZ2 LYS 1 HZ2 LYS 1 15.718 6.932 1.387
15 HZ3 LYS 1 HZ3 LYS 1 15.991 5.694 0.255
16 H LYS 2 HN LYS 2 19.209 9.740 -0.215
17 HA LYS 2 HA LYS 2 20.984 9.992 1.270
18 HB2 LYS 2 HB2 LYS 2 20.696 7.026 1.861
19 HB3 LYS 2 HB1 LYS 2 21.163 8.342 2.966
20 HG2 LYS 2 HG2 LYS 2 18.418 7.921 1.701
21 HG3 LYS 2 HG1 LYS 2 18.845 7.677 3.411
22 HD2 LYS 2 HD2 LYS 2 19.579 10.160 3.410
23 HD3 LYS 2 HD1 LYS 2 18.719 10.290 1.855
24 HE2 LYS 2 HE2 LYS 2 16.637 9.502 2.919
25 HE3 LYS 2 HE1 LYS 2 17.487 9.323 4.473
26 HZ1 LYS 2 HZ1 LYS 2 16.194 11.547 3.676
27 HZ2 LYS 2 HZ2 LYS 2 17.789 11.917 3.225
28 HZ3 LYS 2 HZ3 LYS 2 17.431 11.518 4.836
29 H LEU 3 HN LEU 3 21.934 9.893 -1.184
30 HA LEU 3 HA LEU 3 23.924 7.764 -1.506
31 HB2 LEU 3 HB2 LEU 3 23.911 10.461 -2.914
32 HB3 LEU 3 HB1 LEU 3 24.560 8.908 -3.496
33 HG LEU 3 HG LEU 3 21.614 9.551 -3.021
34 HD11 LEU 3 HD11 LEU 3 23.101 8.994 -5.622
35 HD12 LEU 3 HD12 LEU 3 22.743 10.631 -5.021
36 HD13 LEU 3 HD13 LEU 3 21.411 9.523 -5.433
37 HD21 LEU 3 HD21 LEU 3 21.906 7.212 -2.589
38 HD22 LEU 3 HD22 LEU 3 23.089 7.036 -3.909
39 HD23 LEU 3 HD23 LEU 3 21.370 7.305 -4.282
40 H LEU 4 HN LEU 4 23.640 10.001 0.771
41 HA LEU 4 HA LEU 4 25.812 11.677 0.888
42 HB2 LEU 4 HB2 LEU 4 24.301 10.080 2.910
43 HB3 LEU 4 HB1 LEU 4 25.871 10.694 3.472
44 HG LEU 4 HG LEU 4 25.179 12.996 2.729
45 HD11 LEU 4 HD11 LEU 4 23.570 12.439 0.995
46 HD12 LEU 4 HD12 LEU 4 22.703 13.305 2.285
47 HD13 LEU 4 HD13 LEU 4 22.564 11.535 2.152
48 HD21 LEU 4 HD21 LEU 4 23.590 13.361 4.573
49 HD22 LEU 4 HD22 LEU 4 24.840 12.197 5.071
50 HD23 LEU 4 HD23 LEU 4 23.217 11.622 4.620
51 HA PRO 5 HA PRO 5 28.969 8.389 2.530
52 HB2 PRO 5 HB2 PRO 5 28.286 5.701 2.085
53 HB3 PRO 5 HB1 PRO 5 28.055 6.574 3.633
54 HG2 PRO 5 HG2 PRO 5 26.074 6.053 1.426
55 HG3 PRO 5 HG1 PRO 5 25.857 5.944 3.202
56 HD2 PRO 5 HD2 PRO 5 24.958 8.089 1.836
57 HD3 PRO 5 HD1 PRO 5 25.701 8.283 3.459
58 H ILE 6 HN ILE 6 27.015 7.792 -0.359
59 HA ILE 6 HA ILE 6 29.170 6.567 -1.879
60 HB ILE 6 HB ILE 6 26.741 8.051 -2.963
61 HG12 ILE 6 HG12 ILE 6 25.885 6.445 -1.388
62 HG13 ILE 6 HG11 ILE 6 25.674 5.732 -2.997
63 HG21 ILE 6 HG21 ILE 6 28.740 6.078 -4.122
64 HG22 ILE 6 HG22 ILE 6 28.145 7.608 -4.794
65 HG23 ILE 6 HG23 ILE 6 27.092 6.178 -4.786
66 HD11 ILE 6 HD1 ILE 6 27.713 5.026 -0.859
67 HD12 ILE 6 HD2 ILE 6 27.966 4.568 -2.558
68 HD13 ILE 6 HD3 ILE 6 26.548 3.963 -1.676
69 H VAL 7 HN VAL 7 27.712 9.852 -1.857
70 HA VAL 7 HA VAL 7 29.483 10.965 -3.755
71 HB VAL 7 HB VAL 7 28.202 12.354 -1.396
72 HG11 VAL 7 HG11 VAL 7 29.370 13.348 -4.030
73 HG12 VAL 7 HG12 VAL 7 29.868 13.792 -2.380
74 HG13 VAL 7 HG13 VAL 7 28.297 14.340 -3.012
75 HG21 VAL 7 HG21 VAL 7 26.329 12.830 -2.894
76 HG22 VAL 7 HG22 VAL 7 26.603 11.072 -2.869
77 HG23 VAL 7 HG23 VAL 7 27.166 12.041 -4.252
78 H ALA 8 HN ALA 8 29.718 10.294 -0.520
79 HA ALA 8 HA ALA 8 32.047 11.892 0.129
80 HB1 ALA 8 HB1 ALA 8 30.490 11.057 1.847
81 HB2 ALA 8 HB2 ALA 8 32.158 10.522 2.164
82 HB3 ALA 8 HB3 ALA 8 30.974 9.387 1.473
83 H ASN 9 HN ASN 9 31.521 8.563 -1.004
84 HA ASN 9 HA ASN 9 34.199 7.632 -0.664
85 HB2 ASN 9 HB2 ASN 9 32.179 6.875 -2.814
86 HB3 ASN 9 HB1 ASN 9 33.606 5.927 -2.332
87 HD21 ASN 9 HD21 ASN 9 33.150 6.822 0.595
88 HD22 ASN 9 HD22 ASN 9 31.830 5.783 1.137
89 H LEU 10 HN LEU 10 32.753 9.809 -2.972
90 HA LEU 10 HA LEU 10 34.802 9.512 -5.013
91 HB2 LEU 10 HB2 LEU 10 33.091 11.979 -4.555
92 HB3 LEU 10 HB1 LEU 10 33.754 11.357 -6.084
93 HG LEU 10 HG LEU 10 31.597 10.034 -4.378
94 HD11 LEU 10 HD11 LEU 10 30.115 10.568 -6.233
95 HD12 LEU 10 HD12 LEU 10 31.473 11.205 -7.191
96 HD13 LEU 10 HD13 LEU 10 30.936 12.064 -5.727
97 HD21 LEU 10 HD21 LEU 10 31.472 8.512 -6.473
98 HD22 LEU 10 HD22 LEU 10 32.848 8.254 -5.377
99 HD23 LEU 10 HD23 LEU 10 33.078 9.156 -6.895
100 H LEU 11 HN LEU 11 34.198 11.858 -2.370
101 HA LEU 11 HA LEU 11 36.636 13.353 -2.945
102 HB2 LEU 11 HB2 LEU 11 35.117 13.342 -0.314
103 HB3 LEU 11 HB1 LEU 11 36.074 14.656 -1.039
104 HG LEU 11 HG LEU 11 33.441 13.535 -2.091
105 HD11 LEU 11 HD11 LEU 11 33.302 15.029 -0.085
106 HD12 LEU 11 HD12 LEU 11 32.563 15.756 -1.532
107 HD13 LEU 11 HD13 LEU 11 34.176 16.285 -0.994
108 HD21 LEU 11 HD21 LEU 11 33.697 15.569 -3.683
109 HD22 LEU 11 HD22 LEU 11 34.703 14.144 -4.027
110 HD23 LEU 11 HD23 LEU 11 35.416 15.562 -3.220
111 H LYS 12 HN LYS 12 35.992 10.352 -1.493
112 HA LYS 12 HA LYS 12 37.318 8.902 -0.265
113 HB2 LYS 12 HB2 LYS 12 38.910 9.558 -2.151
114 HB3 LYS 12 HB1 LYS 12 39.654 10.701 -1.008
115 HG2 LYS 12 HG2 LYS 12 39.916 8.706 0.596
116 HG3 LYS 12 HG1 LYS 12 39.492 7.668 -0.786
117 HD2 LYS 12 HD2 LYS 12 41.832 9.623 -0.630
118 HD3 LYS 12 HD1 LYS 12 41.932 7.846 -0.617
119 HE2 LYS 12 HE2 LYS 12 41.145 9.681 -2.902
120 HE3 LYS 12 HE1 LYS 12 42.398 8.419 -2.869
121 HZ1 LYS 12 HZ1 LYS 12 40.746 7.312 -3.944
122 HZ2 LYS 12 HZ2 LYS 12 39.492 8.160 -3.173
123 HZ3 LYS 12 HZ3 LYS 12 40.314 6.921 -2.351
124 H SER 13 HN SER 13 36.082 10.007 1.556
125 HA SER 13 HA SER 13 37.974 10.546 3.689
126 HB2 SER 13 HB2 SER 13 37.998 12.771 2.599
127 HB3 SER 13 HB1 SER 13 36.230 12.864 2.762
128 HG SER 13 HG SER 13 36.809 13.767 4.603
129 H LEU 14 HN LEU 14 37.059 9.300 5.185
130 HA LEU 14 HA LEU 14 34.184 8.864 5.285
131 HB2 LEU 14 HB2 LEU 14 36.170 8.242 7.500
132 HB3 LEU 14 HB1 LEU 14 34.644 7.411 7.114
133 HG LEU 14 HG LEU 14 37.146 7.462 5.366
134 HD11 LEU 14 HD11 LEU 14 35.836 5.233 6.987
135 HD12 LEU 14 HD12 LEU 14 37.360 6.059 7.395
136 HD13 LEU 14 HD13 LEU 14 37.256 5.051 5.930
137 HD21 LEU 14 HD21 LEU 14 34.366 6.265 5.005
138 HD22 LEU 14 HD22 LEU 14 35.784 5.631 4.134
139 HD23 LEU 14 HD23 LEU 14 35.270 7.315 3.888
140 H LEU 15 HN LEU 15 32.724 9.452 6.936
141 HA LEU 15 HA LEU 15 33.091 12.185 7.860
142 HB2 LEU 15 HB2 LEU 15 30.956 10.260 8.836
143 HB3 LEU 15 HB1 LEU 15 30.864 12.029 8.664
144 HG LEU 15 HG LEU 15 31.057 9.991 6.403
145 HD11 LEU 15 HD11 LEU 15 28.799 10.817 5.842
146 HD12 LEU 15 HD12 LEU 15 28.854 11.936 7.225
147 HD13 LEU 15 HD13 LEU 15 28.832 10.178 7.503
148 HD21 LEU 15 HD21 LEU 15 30.645 12.124 4.996
149 HD22 LEU 15 HD22 LEU 15 32.279 11.914 5.666
150 HD23 LEU 15 HD23 LEU 15 31.136 13.038 6.443
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 16.201 10.249 -0.767
2 H2 LYS 1 HT2 LYS 1 16.124 10.352 0.928
3 H3 LYS 1 HT3 LYS 1 15.017 9.381 0.079
4 HA LYS 1 HA LYS 1 17.269 8.527 1.245
5 HB2 LYS 1 HB2 LYS 1 15.214 7.268 0.396
6 HB3 LYS 1 HB1 LYS 1 15.995 7.251 -1.204
7 HG2 LYS 1 HG2 LYS 1 17.959 6.097 -0.250
8 HG3 LYS 1 HG1 LYS 1 17.210 6.138 1.365
9 HD2 LYS 1 HD2 LYS 1 15.252 4.853 0.402
10 HD3 LYS 1 HD1 LYS 1 16.186 4.671 -1.102
11 HE2 LYS 1 HE2 LYS 1 16.527 2.678 0.252
12 HE3 LYS 1 HE1 LYS 1 18.037 3.620 0.254
13 HZ1 LYS 1 HZ1 LYS 1 17.333 2.813 2.479
14 HZ2 LYS 1 HZ2 LYS 1 15.956 3.803 2.374
15 HZ3 LYS 1 HZ3 LYS 1 17.505 4.498 2.393
16 H LYS 2 HN LYS 2 18.717 10.380 0.365
17 HA LYS 2 HA LYS 2 20.587 9.118 -1.502
18 HB2 LYS 2 HB2 LYS 2 20.555 10.941 -3.169
19 HB3 LYS 2 HB1 LYS 2 18.992 10.090 -3.113
20 HG2 LYS 2 HG2 LYS 2 18.253 11.919 -1.429
21 HG3 LYS 2 HG1 LYS 2 19.699 12.815 -1.956
22 HD2 LYS 2 HD2 LYS 2 17.436 11.837 -3.755
23 HD3 LYS 2 HD1 LYS 2 17.729 13.520 -3.260
24 HE2 LYS 2 HE2 LYS 2 20.077 13.243 -4.314
25 HE3 LYS 2 HE1 LYS 2 19.426 11.768 -5.072
26 HZ1 LYS 2 HZ1 LYS 2 17.881 12.977 -6.278
27 HZ2 LYS 2 HZ2 LYS 2 19.250 13.981 -6.332
28 HZ3 LYS 2 HZ3 LYS 2 17.975 14.336 -5.268
29 H LEU 3 HN LEU 3 22.188 11.136 -2.200
30 HA LEU 3 HA LEU 3 23.816 12.557 -1.382
31 HB2 LEU 3 HB2 LEU 3 21.626 13.784 -0.537
32 HB3 LEU 3 HB1 LEU 3 22.126 13.187 1.058
33 HG LEU 3 HG LEU 3 24.488 14.217 0.412
34 HD11 LEU 3 HD11 LEU 3 24.189 16.309 -0.977
35 HD12 LEU 3 HD12 LEU 3 22.576 15.723 -1.437
36 HD13 LEU 3 HD13 LEU 3 24.025 14.808 -1.911
37 HD21 LEU 3 HD21 LEU 3 23.774 16.408 1.364
38 HD22 LEU 3 HD22 LEU 3 23.070 15.038 2.255
39 HD23 LEU 3 HD23 LEU 3 22.074 15.956 1.099
40 H LEU 4 HN LEU 4 22.748 9.781 -0.022
41 HA LEU 4 HA LEU 4 23.980 9.574 2.506
42 HB2 LEU 4 HB2 LEU 4 23.339 7.673 0.257
43 HB3 LEU 4 HB1 LEU 4 24.413 7.067 1.535
44 HG LEU 4 HG LEU 4 22.722 7.666 3.245
45 HD11 LEU 4 HD11 LEU 4 21.183 8.630 0.800
46 HD12 LEU 4 HD12 LEU 4 21.624 9.559 2.253
47 HD13 LEU 4 HD13 LEU 4 20.395 8.276 2.357
48 HD21 LEU 4 HD21 LEU 4 21.647 6.017 0.911
49 HD22 LEU 4 HD22 LEU 4 20.995 5.986 2.567
50 HD23 LEU 4 HD23 LEU 4 22.652 5.416 2.251
51 HA PRO 5 HA PRO 5 28.336 9.920 1.885
52 HB2 PRO 5 HB2 PRO 5 29.346 7.846 3.467
53 HB3 PRO 5 HB1 PRO 5 28.760 9.412 4.111
54 HG2 PRO 5 HG2 PRO 5 27.319 6.775 3.921
55 HG3 PRO 5 HG1 PRO 5 27.359 7.957 5.267
56 HD2 PRO 5 HD2 PRO 5 25.243 7.840 3.583
57 HD3 PRO 5 HD1 PRO 5 25.837 9.412 4.212
58 H ILE 6 HN ILE 6 27.965 9.281 -0.387
59 HA ILE 6 HA ILE 6 29.467 6.770 -0.999
60 HB ILE 6 HB ILE 6 26.873 7.445 -2.454
61 HG12 ILE 6 HG12 ILE 6 27.366 5.511 -0.143
62 HG13 ILE 6 HG11 ILE 6 26.295 6.930 -0.131
63 HG21 ILE 6 HG21 ILE 6 28.404 4.818 -2.276
64 HG22 ILE 6 HG22 ILE 6 28.741 6.035 -3.529
65 HG23 ILE 6 HG23 ILE 6 27.136 5.274 -3.438
66 HD11 ILE 6 HD1 ILE 6 25.950 4.314 -1.632
67 HD12 ILE 6 HD2 ILE 6 25.079 5.786 -2.130
68 HD13 ILE 6 HD3 ILE 6 24.825 5.105 -0.506
69 H VAL 7 HN VAL 7 27.776 9.652 -2.323
70 HA VAL 7 HA VAL 7 29.446 9.759 -4.667
71 HB VAL 7 HB VAL 7 27.859 11.995 -3.395
72 HG11 VAL 7 HG11 VAL 7 28.938 11.525 -6.210
73 HG12 VAL 7 HG12 VAL 7 29.389 12.829 -5.085
74 HG13 VAL 7 HG13 VAL 7 27.762 12.797 -5.803
75 HG21 VAL 7 HG21 VAL 7 26.509 9.915 -3.856
76 HG22 VAL 7 HG22 VAL 7 26.993 10.030 -5.565
77 HG23 VAL 7 HG23 VAL 7 26.002 11.314 -4.832
78 H ALA 8 HN ALA 8 29.519 10.905 -1.561
79 HA ALA 8 HA ALA 8 31.809 12.757 -1.966
80 HB1 ALA 8 HB1 ALA 8 30.480 11.936 0.635
81 HB2 ALA 8 HB2 ALA 8 29.883 13.251 -0.406
82 HB3 ALA 8 HB3 ALA 8 31.499 13.363 0.333
83 H ASN 9 HN ASN 9 31.130 9.493 -0.908
84 HA ASN 9 HA ASN 9 33.336 8.939 0.736
85 HB2 ASN 9 HB2 ASN 9 31.535 7.324 0.259
86 HB3 ASN 9 HB1 ASN 9 32.123 7.157 -1.414
87 HD21 ASN 9 HD21 ASN 9 32.922 6.492 2.019
88 HD22 ASN 9 HD22 ASN 9 34.188 5.313 1.657
89 H LEU 10 HN LEU 10 33.228 9.561 -2.710
90 HA LEU 10 HA LEU 10 35.819 8.398 -3.307
91 HB2 LEU 10 HB2 LEU 10 33.991 10.366 -4.715
92 HB3 LEU 10 HB1 LEU 10 35.590 9.970 -5.372
93 HG LEU 10 HG LEU 10 33.617 8.607 -6.279
94 HD11 LEU 10 HD11 LEU 10 36.126 7.901 -6.262
95 HD12 LEU 10 HD12 LEU 10 34.906 6.646 -6.551
96 HD13 LEU 10 HD13 LEU 10 35.665 6.789 -4.954
97 HD21 LEU 10 HD21 LEU 10 32.673 6.850 -4.928
98 HD22 LEU 10 HD22 LEU 10 32.537 8.356 -3.993
99 HD23 LEU 10 HD23 LEU 10 33.803 7.171 -3.594
100 H LEU 11 HN LEU 11 34.654 11.691 -2.538
101 HA LEU 11 HA LEU 11 37.277 12.895 -2.825
102 HB2 LEU 11 HB2 LEU 11 35.016 13.976 -1.110
103 HB3 LEU 11 HB1 LEU 11 36.270 14.878 -1.993
104 HG LEU 11 HG LEU 11 33.988 13.261 -3.211
105 HD11 LEU 11 HD11 LEU 11 34.647 16.241 -3.198
106 HD12 LEU 11 HD12 LEU 11 33.327 15.457 -2.298
107 HD13 LEU 11 HD13 LEU 11 33.295 15.490 -4.078
108 HD21 LEU 11 HD21 LEU 11 35.845 12.978 -4.694
109 HD22 LEU 11 HD22 LEU 11 36.405 14.649 -4.442
110 HD23 LEU 11 HD23 LEU 11 34.923 14.337 -5.375
111 H LYS 12 HN LYS 12 35.283 12.070 0.053
112 HA LYS 12 HA LYS 12 37.237 12.733 1.994
113 HB2 LYS 12 HB2 LYS 12 35.139 10.529 2.101
114 HB3 LYS 12 HB1 LYS 12 35.978 11.243 3.499
115 HG2 LYS 12 HG2 LYS 12 35.054 13.473 2.905
116 HG3 LYS 12 HG1 LYS 12 34.190 12.740 1.533
117 HD2 LYS 12 HD2 LYS 12 32.885 11.331 3.038
118 HD3 LYS 12 HD1 LYS 12 33.826 11.896 4.439
119 HE2 LYS 12 HE2 LYS 12 33.014 14.196 4.084
120 HE3 LYS 12 HE1 LYS 12 32.105 13.666 2.650
121 HZ1 LYS 12 HZ1 LYS 12 31.644 12.238 5.167
122 HZ2 LYS 12 HZ2 LYS 12 30.562 12.601 3.908
123 HZ3 LYS 12 HZ3 LYS 12 31.001 13.801 5.027
124 H SER 13 HN SER 13 36.989 9.990 -0.161
125 HA SER 13 HA SER 13 38.308 8.088 -0.386
126 HB2 SER 13 HB2 SER 13 40.492 9.766 0.891
127 HB3 SER 13 HB1 SER 13 40.676 8.438 -0.277
128 HG SER 13 HG SER 13 40.805 10.457 -1.313
129 H LEU 14 HN LEU 14 40.491 7.119 1.105
130 HA LEU 14 HA LEU 14 39.035 5.903 3.326
131 HB2 LEU 14 HB2 LEU 14 42.026 5.693 2.837
132 HB3 LEU 14 HB1 LEU 14 40.927 4.494 3.563
133 HG LEU 14 HG LEU 14 40.972 5.396 0.648
134 HD11 LEU 14 HD11 LEU 14 41.659 3.087 0.210
135 HD12 LEU 14 HD12 LEU 14 41.515 2.683 1.937
136 HD13 LEU 14 HD13 LEU 14 42.776 3.814 1.389
137 HD21 LEU 14 HD21 LEU 14 39.249 3.478 0.445
138 HD22 LEU 14 HD22 LEU 14 38.670 4.989 1.183
139 HD23 LEU 14 HD23 LEU 14 39.074 3.594 2.213
140 H LEU 15 HN LEU 15 42.048 7.866 3.134
141 HA LEU 15 HA LEU 15 42.115 8.271 6.002
142 HB2 LEU 15 HB2 LEU 15 44.178 8.374 4.755
143 HB3 LEU 15 HB1 LEU 15 43.531 9.622 3.671
144 HG LEU 15 HG LEU 15 43.509 11.267 5.450
145 HD11 LEU 15 HD11 LEU 15 44.457 10.537 7.757
146 HD12 LEU 15 HD12 LEU 15 44.106 8.873 7.232
147 HD13 LEU 15 HD13 LEU 15 42.788 10.060 7.376
148 HD21 LEU 15 HD21 LEU 15 46.076 9.619 5.554
149 HD22 LEU 15 HD22 LEU 15 45.919 11.321 6.052
150 HD23 LEU 15 HD23 LEU 15 45.684 10.868 4.347
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 19.814 12.589 -5.236
2 H2 LYS 1 HT2 LYS 1 18.214 13.115 -5.006
3 H3 LYS 1 HT3 LYS 1 18.650 11.516 -4.629
4 HA LYS 1 HA LYS 1 19.836 13.863 -3.311
5 HB2 LYS 1 HB2 LYS 1 17.497 12.152 -2.380
6 HB3 LYS 1 HB1 LYS 1 18.272 13.467 -1.463
7 HG2 LYS 1 HG2 LYS 1 17.703 15.006 -3.431
8 HG3 LYS 1 HG1 LYS 1 16.689 13.684 -4.055
9 HD2 LYS 1 HD2 LYS 1 16.407 15.075 -1.352
10 HD3 LYS 1 HD1 LYS 1 15.303 15.221 -2.741
11 HE2 LYS 1 HE2 LYS 1 15.764 12.833 -0.927
12 HE3 LYS 1 HE1 LYS 1 14.231 13.627 -1.358
13 HZ1 LYS 1 HZ1 LYS 1 14.113 11.888 -2.770
14 HZ2 LYS 1 HZ2 LYS 1 15.795 11.657 -2.838
15 HZ3 LYS 1 HZ3 LYS 1 15.065 12.883 -3.761
16 H LYS 2 HN LYS 2 21.468 11.924 -4.177
17 HA LYS 2 HA LYS 2 21.633 9.705 -2.263
18 HB2 LYS 2 HB2 LYS 2 23.509 10.744 -4.421
19 HB3 LYS 2 HB1 LYS 2 23.846 9.310 -3.421
20 HG2 LYS 2 HG2 LYS 2 21.860 8.185 -4.240
21 HG3 LYS 2 HG1 LYS 2 21.317 9.655 -5.085
22 HD2 LYS 2 HD2 LYS 2 23.345 9.566 -6.522
23 HD3 LYS 2 HD1 LYS 2 23.850 8.070 -5.699
24 HE2 LYS 2 HE2 LYS 2 22.710 7.480 -7.778
25 HE3 LYS 2 HE1 LYS 2 21.685 7.009 -6.403
26 HZ1 LYS 2 HZ1 LYS 2 21.349 9.690 -7.561
27 HZ2 LYS 2 HZ2 LYS 2 20.204 8.679 -6.815
28 HZ3 LYS 2 HZ3 LYS 2 20.714 8.362 -8.405
29 H LEU 3 HN LEU 3 21.480 12.025 -0.808
30 HA LEU 3 HA LEU 3 24.033 13.143 -0.121
31 HB2 LEU 3 HB2 LEU 3 21.671 12.769 1.762
32 HB3 LEU 3 HB1 LEU 3 22.937 14.015 1.837
33 HG LEU 3 HG LEU 3 20.915 13.716 -0.433
34 HD11 LEU 3 HD11 LEU 3 19.843 15.704 0.524
35 HD12 LEU 3 HD12 LEU 3 21.057 15.763 1.825
36 HD13 LEU 3 HD13 LEU 3 19.902 14.409 1.745
37 HD21 LEU 3 HD21 LEU 3 23.148 15.697 0.181
38 HD22 LEU 3 HD22 LEU 3 21.783 16.127 -0.877
39 HD23 LEU 3 HD23 LEU 3 22.861 14.784 -1.319
40 H LEU 4 HN LEU 4 22.933 10.010 0.086
41 HA LEU 4 HA LEU 4 24.033 9.285 2.682
42 HB2 LEU 4 HB2 LEU 4 23.606 7.406 0.337
43 HB3 LEU 4 HB1 LEU 4 23.498 7.048 2.075
44 HG LEU 4 HG LEU 4 21.600 8.809 0.463
45 HD11 LEU 4 HD11 LEU 4 19.961 7.067 0.947
46 HD12 LEU 4 HD12 LEU 4 21.140 6.184 1.948
47 HD13 LEU 4 HD13 LEU 4 21.386 6.316 0.191
48 HD21 LEU 4 HD21 LEU 4 21.738 9.807 2.637
49 HD22 LEU 4 HD22 LEU 4 21.835 8.223 3.445
50 HD23 LEU 4 HD23 LEU 4 20.306 8.756 2.705
51 HA PRO 5 HA PRO 5 28.423 8.965 1.994
52 HB2 PRO 5 HB2 PRO 5 28.076 6.017 2.623
53 HB3 PRO 5 HB1 PRO 5 29.324 7.165 3.209
54 HG2 PRO 5 HG2 PRO 5 27.259 6.501 4.753
55 HG3 PRO 5 HG1 PRO 5 27.866 8.186 4.706
56 HD2 PRO 5 HD2 PRO 5 25.351 7.047 3.511
57 HD3 PRO 5 HD1 PRO 5 25.689 8.704 4.107
58 H ILE 6 HN ILE 6 28.004 9.344 -0.329
59 HA ILE 6 HA ILE 6 29.016 7.067 -1.939
60 HB ILE 6 HB ILE 6 26.466 8.515 -2.803
61 HG12 ILE 6 HG12 ILE 6 26.857 5.745 -1.570
62 HG13 ILE 6 HG11 ILE 6 25.900 7.083 -0.902
63 HG21 ILE 6 HG21 ILE 6 26.455 6.960 -4.638
64 HG22 ILE 6 HG22 ILE 6 27.724 5.960 -3.894
65 HG23 ILE 6 HG23 ILE 6 28.120 7.565 -4.542
66 HD11 ILE 6 HD1 ILE 6 24.277 5.687 -1.913
67 HD12 ILE 6 HD2 ILE 6 25.306 5.364 -3.328
68 HD13 ILE 6 HD3 ILE 6 24.546 6.962 -3.126
69 H VAL 7 HN VAL 7 27.651 10.390 -2.023
70 HA VAL 7 HA VAL 7 29.267 11.196 -4.251
71 HB VAL 7 HB VAL 7 28.044 12.942 -2.108
72 HG11 VAL 7 HG11 VAL 7 28.936 13.466 -4.979
73 HG12 VAL 7 HG12 VAL 7 29.624 14.167 -3.495
74 HG13 VAL 7 HG13 VAL 7 27.983 14.615 -4.013
75 HG21 VAL 7 HG21 VAL 7 26.301 11.525 -3.047
76 HG22 VAL 7 HG22 VAL 7 26.878 11.836 -4.702
77 HG23 VAL 7 HG23 VAL 7 26.133 13.148 -3.759
78 H ALA 8 HN ALA 8 29.587 11.044 -0.960
79 HA ALA 8 HA ALA 8 32.051 12.669 -0.773
80 HB1 ALA 8 HB1 ALA 8 30.387 12.661 1.056
81 HB2 ALA 8 HB2 ALA 8 31.982 12.090 1.603
82 HB3 ALA 8 HB3 ALA 8 30.674 10.921 1.297
83 H ASN 9 HN ASN 9 31.084 9.284 -0.992
84 HA ASN 9 HA ASN 9 33.443 8.035 -0.065
85 HB2 ASN 9 HB2 ASN 9 31.300 6.901 -0.767
86 HB3 ASN 9 HB1 ASN 9 31.795 7.145 -2.460
87 HD21 ASN 9 HD21 ASN 9 33.073 5.769 0.655
88 HD22 ASN 9 HD22 ASN 9 33.972 4.469 -0.134
89 H LEU 10 HN LEU 10 32.743 9.645 -3.138
90 HA LEU 10 HA LEU 10 35.146 8.703 -4.471
91 HB2 LEU 10 HB2 LEU 10 33.600 11.245 -5.089
92 HB3 LEU 10 HB1 LEU 10 34.585 10.265 -6.199
93 HG LEU 10 HG LEU 10 32.015 9.335 -4.835
94 HD11 LEU 10 HD11 LEU 10 31.061 9.471 -7.126
95 HD12 LEU 10 HD12 LEU 10 32.596 10.152 -7.716
96 HD13 LEU 10 HD13 LEU 10 31.608 11.063 -6.550
97 HD21 LEU 10 HD21 LEU 10 32.286 7.490 -6.650
98 HD22 LEU 10 HD22 LEU 10 33.350 7.396 -5.231
99 HD23 LEU 10 HD23 LEU 10 33.976 8.034 -6.770
100 H LEU 11 HN LEU 11 34.339 11.367 -2.319
101 HA LEU 11 HA LEU 11 36.617 13.015 -2.873
102 HB2 LEU 11 HB2 LEU 11 34.528 13.610 -1.518
103 HB3 LEU 11 HB1 LEU 11 35.241 12.680 -0.183
104 HG LEU 11 HG LEU 11 37.372 14.204 -0.597
105 HD11 LEU 11 HD11 LEU 11 36.656 15.328 -2.639
106 HD12 LEU 11 HD12 LEU 11 36.681 16.524 -1.326
107 HD13 LEU 11 HD13 LEU 11 35.134 15.843 -1.876
108 HD21 LEU 11 HD21 LEU 11 36.444 15.911 0.961
109 HD22 LEU 11 HD22 LEU 11 36.006 14.257 1.453
110 HD23 LEU 11 HD23 LEU 11 34.805 15.292 0.644
111 H LYS 12 HN LYS 12 36.168 10.066 -1.048
112 HA LYS 12 HA LYS 12 37.662 8.740 0.121
113 HB2 LYS 12 HB2 LYS 12 38.842 8.822 -2.080
114 HB3 LYS 12 HB1 LYS 12 39.764 10.229 -1.498
115 HG2 LYS 12 HG2 LYS 12 40.816 8.942 0.238
116 HG3 LYS 12 HG1 LYS 12 39.712 7.570 -0.017
117 HD2 LYS 12 HD2 LYS 12 41.925 7.133 -1.042
118 HD3 LYS 12 HD1 LYS 12 40.651 7.222 -2.281
119 HE2 LYS 12 HE2 LYS 12 41.351 9.365 -3.020
120 HE3 LYS 12 HE1 LYS 12 42.269 9.684 -1.527
121 HZ1 LYS 12 HZ1 LYS 12 43.897 8.106 -2.150
122 HZ2 LYS 12 HZ2 LYS 12 43.624 9.067 -3.523
123 HZ3 LYS 12 HZ3 LYS 12 42.959 7.507 -3.429
124 H SER 13 HN SER 13 37.035 9.935 2.059
125 HA SER 13 HA SER 13 38.745 12.106 2.998
126 HB2 SER 13 HB2 SER 13 36.673 10.358 4.372
127 HB3 SER 13 HB1 SER 13 37.524 11.696 5.173
128 HG SER 13 HG SER 13 36.126 11.984 2.715
129 H LEU 14 HN LEU 14 38.098 8.918 4.520
130 HA LEU 14 HA LEU 14 40.588 8.979 5.987
131 HB2 LEU 14 HB2 LEU 14 38.516 6.837 5.399
132 HB3 LEU 14 HB1 LEU 14 40.002 6.459 6.302
133 HG LEU 14 HG LEU 14 39.453 8.157 7.986
134 HD11 LEU 14 HD11 LEU 14 37.137 8.739 6.099
135 HD12 LEU 14 HD12 LEU 14 38.337 9.873 6.769
136 HD13 LEU 14 HD13 LEU 14 37.078 9.189 7.821
137 HD21 LEU 14 HD21 LEU 14 38.483 5.810 8.100
138 HD22 LEU 14 HD22 LEU 14 36.980 6.469 7.411
139 HD23 LEU 14 HD23 LEU 14 37.557 7.037 8.996
140 H LEU 15 HN LEU 15 42.583 8.367 5.441
141 HA LEU 15 HA LEU 15 43.099 7.544 2.680
142 HB2 LEU 15 HB2 LEU 15 45.129 7.537 4.936
143 HB3 LEU 15 HB1 LEU 15 45.387 7.851 3.202
144 HG LEU 15 HG LEU 15 43.902 9.636 5.182
145 HD11 LEU 15 HD11 LEU 15 46.408 9.655 5.279
146 HD12 LEU 15 HD12 LEU 15 45.727 11.208 4.735
147 HD13 LEU 15 HD13 LEU 15 46.442 10.086 3.553
148 HD21 LEU 15 HD21 LEU 15 44.251 9.783 2.158
149 HD22 LEU 15 HD22 LEU 15 43.866 11.214 3.143
150 HD23 LEU 15 HD23 LEU 15 42.737 9.841 3.091
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 20.403 15.434 -5.368
2 H2 LYS 1 HT2 LYS 1 21.338 16.850 -5.268
3 H3 LYS 1 HT3 LYS 1 19.650 16.925 -5.089
4 HA LYS 1 HA LYS 1 21.370 16.879 -3.083
5 HB2 LYS 1 HB2 LYS 1 19.416 16.165 -1.692
6 HB3 LYS 1 HB1 LYS 1 19.015 17.440 -2.868
7 HG2 LYS 1 HG2 LYS 1 18.278 15.533 -4.448
8 HG3 LYS 1 HG1 LYS 1 18.371 14.468 -3.027
9 HD2 LYS 1 HD2 LYS 1 16.653 16.974 -3.306
10 HD3 LYS 1 HD1 LYS 1 16.074 15.293 -3.299
11 HE2 LYS 1 HE2 LYS 1 17.273 16.890 -1.011
12 HE3 LYS 1 HE1 LYS 1 15.711 16.042 -1.073
13 HZ1 LYS 1 HZ1 LYS 1 16.893 14.490 0.038
14 HZ2 LYS 1 HZ2 LYS 1 18.391 14.986 -0.592
15 HZ3 LYS 1 HZ3 LYS 1 17.352 14.015 -1.524
16 H LYS 2 HN LYS 2 22.612 14.982 -4.551
17 HA LYS 2 HA LYS 2 21.991 12.294 -3.523
18 HB2 LYS 2 HB2 LYS 2 24.212 13.478 -5.227
19 HB3 LYS 2 HB1 LYS 2 24.274 11.797 -4.652
20 HG2 LYS 2 HG2 LYS 2 23.282 11.988 -6.936
21 HG3 LYS 2 HG1 LYS 2 22.145 11.296 -5.757
22 HD2 LYS 2 HD2 LYS 2 20.887 13.310 -5.604
23 HD3 LYS 2 HD1 LYS 2 22.179 14.279 -6.353
24 HE2 LYS 2 HE2 LYS 2 20.637 12.070 -7.783
25 HE3 LYS 2 HE1 LYS 2 20.250 13.803 -7.903
26 HZ1 LYS 2 HZ1 LYS 2 22.749 12.435 -8.750
27 HZ2 LYS 2 HZ2 LYS 2 22.611 14.124 -8.631
28 HZ3 LYS 2 HZ3 LYS 2 21.638 13.265 -9.727
29 H LEU 3 HN LEU 3 22.174 13.883 -1.353
30 HA LEU 3 HA LEU 3 24.833 14.043 -0.245
31 HB2 LEU 3 HB2 LEU 3 22.272 13.718 1.360
32 HB3 LEU 3 HB1 LEU 3 23.760 14.584 1.813
33 HG LEU 3 HG LEU 3 21.788 15.372 -0.378
34 HD11 LEU 3 HD11 LEU 3 21.051 15.851 1.940
35 HD12 LEU 3 HD12 LEU 3 21.430 17.353 1.063
36 HD13 LEU 3 HD13 LEU 3 22.584 16.700 2.252
37 HD21 LEU 3 HD21 LEU 3 23.311 17.471 -0.422
38 HD22 LEU 3 HD22 LEU 3 23.947 16.002 -1.197
39 HD23 LEU 3 HD23 LEU 3 24.516 16.469 0.425
40 H LEU 4 HN LEU 4 23.120 11.410 -1.233
41 HA LEU 4 HA LEU 4 23.313 9.570 0.920
42 HB2 LEU 4 HB2 LEU 4 23.352 9.318 -2.099
43 HB3 LEU 4 HB1 LEU 4 23.590 7.874 -1.091
44 HG LEU 4 HG LEU 4 21.452 8.289 0.057
45 HD11 LEU 4 HD11 LEU 4 21.288 10.681 0.050
46 HD12 LEU 4 HD12 LEU 4 19.945 10.105 -0.964
47 HD13 LEU 4 HD13 LEU 4 21.417 10.760 -1.723
48 HD21 LEU 4 HD21 LEU 4 21.250 8.420 -2.986
49 HD22 LEU 4 HD22 LEU 4 19.940 7.916 -1.893
50 HD23 LEU 4 HD23 LEU 4 21.426 6.943 -2.009
51 HA PRO 5 HA PRO 5 27.519 8.603 1.902
52 HB2 PRO 5 HB2 PRO 5 26.912 5.903 0.658
53 HB3 PRO 5 HB1 PRO 5 27.823 6.278 2.158
54 HG2 PRO 5 HG2 PRO 5 25.261 5.500 2.254
55 HG3 PRO 5 HG1 PRO 5 25.897 6.748 3.368
56 HD2 PRO 5 HD2 PRO 5 24.022 7.077 1.063
57 HD3 PRO 5 HD1 PRO 5 24.281 8.143 2.482
58 H ILE 6 HN ILE 6 26.267 8.003 -1.337
59 HA ILE 6 HA ILE 6 28.486 7.282 -2.817
60 HB ILE 6 HB ILE 6 26.698 9.585 -3.701
61 HG12 ILE 6 HG12 ILE 6 26.139 6.583 -3.639
62 HG13 ILE 6 HG11 ILE 6 25.234 7.854 -2.790
63 HG21 ILE 6 HG21 ILE 6 28.724 8.802 -5.089
64 HG22 ILE 6 HG22 ILE 6 27.152 8.779 -5.918
65 HG23 ILE 6 HG23 ILE 6 27.856 7.264 -5.303
66 HD11 ILE 6 HD1 ILE 6 25.334 7.275 -5.767
67 HD12 ILE 6 HD2 ILE 6 24.820 8.867 -5.155
68 HD13 ILE 6 HD3 ILE 6 23.912 7.404 -4.707
69 H VAL 7 HN VAL 7 27.654 10.686 -1.967
70 HA VAL 7 HA VAL 7 30.016 11.795 -3.051
71 HB VAL 7 HB VAL 7 28.410 12.812 -0.703
72 HG11 VAL 7 HG11 VAL 7 30.410 14.126 -2.592
73 HG12 VAL 7 HG12 VAL 7 30.499 14.009 -0.818
74 HG13 VAL 7 HG13 VAL 7 29.281 15.058 -1.579
75 HG21 VAL 7 HG21 VAL 7 27.073 14.027 -2.305
76 HG22 VAL 7 HG22 VAL 7 27.139 12.342 -2.876
77 HG23 VAL 7 HG23 VAL 7 28.159 13.582 -3.644
78 H ALA 8 HN ALA 8 29.305 10.318 -0.172
79 HA ALA 8 HA ALA 8 31.826 11.042 1.191
80 HB1 ALA 8 HB1 ALA 8 30.974 9.882 3.071
81 HB2 ALA 8 HB2 ALA 8 29.861 8.910 2.079
82 HB3 ALA 8 HB3 ALA 8 29.551 10.646 2.325
83 H ASN 9 HN ASN 9 33.447 9.571 1.826
84 HA ASN 9 HA ASN 9 34.839 7.734 1.595
85 HB2 ASN 9 HB2 ASN 9 32.828 6.255 -0.124
86 HB3 ASN 9 HB1 ASN 9 33.995 5.614 1.056
87 HD21 ASN 9 HD21 ASN 9 33.523 5.993 3.405
88 HD22 ASN 9 HD22 ASN 9 31.845 6.234 3.903
89 H LEU 10 HN LEU 10 33.006 8.762 -1.274
90 HA LEU 10 HA LEU 10 35.325 8.102 -3.038
91 HB2 LEU 10 HB2 LEU 10 32.681 9.363 -3.847
92 HB3 LEU 10 HB1 LEU 10 33.840 8.469 -4.861
93 HG LEU 10 HG LEU 10 32.163 7.312 -2.587
94 HD11 LEU 10 HD11 LEU 10 30.970 6.136 -4.342
95 HD12 LEU 10 HD12 LEU 10 32.099 6.736 -5.580
96 HD13 LEU 10 HD13 LEU 10 30.989 7.864 -4.765
97 HD21 LEU 10 HD21 LEU 10 33.113 5.112 -3.593
98 HD22 LEU 10 HD22 LEU 10 34.211 6.082 -2.586
99 HD23 LEU 10 HD23 LEU 10 34.347 6.141 -4.362
100 H LEU 11 HN LEU 11 34.103 10.685 -1.172
101 HA LEU 11 HA LEU 11 34.557 12.957 -2.745
102 HB2 LEU 11 HB2 LEU 11 33.652 13.165 -0.519
103 HB3 LEU 11 HB1 LEU 11 35.107 12.451 0.205
104 HG LEU 11 HG LEU 11 36.441 14.393 -0.374
105 HD11 LEU 11 HD11 LEU 11 35.674 15.018 -2.545
106 HD12 LEU 11 HD12 LEU 11 35.215 16.384 -1.504
107 HD13 LEU 11 HD13 LEU 11 33.990 15.187 -1.996
108 HD21 LEU 11 HD21 LEU 11 35.227 16.167 0.866
109 HD22 LEU 11 HD22 LEU 11 35.036 14.581 1.654
110 HD23 LEU 11 HD23 LEU 11 33.709 15.256 0.678
111 H LYS 12 HN LYS 12 36.965 11.714 -0.384
112 HA LYS 12 HA LYS 12 39.116 11.645 -2.305
113 HB2 LYS 12 HB2 LYS 12 38.828 14.113 -2.190
114 HB3 LYS 12 HB1 LYS 12 39.084 14.047 -0.430
115 HG2 LYS 12 HG2 LYS 12 41.350 13.346 -0.669
116 HG3 LYS 12 HG1 LYS 12 41.125 12.902 -2.377
117 HD2 LYS 12 HD2 LYS 12 42.366 15.056 -2.104
118 HD3 LYS 12 HD1 LYS 12 40.837 15.259 -2.991
119 HE2 LYS 12 HE2 LYS 12 41.353 16.979 -1.130
120 HE3 LYS 12 HE1 LYS 12 39.743 16.223 -1.107
121 HZ1 LYS 12 HZ1 LYS 12 40.726 16.204 1.088
122 HZ2 LYS 12 HZ2 LYS 12 42.101 15.390 0.512
123 HZ3 LYS 12 HZ3 LYS 12 40.588 14.615 0.513
124 H SER 13 HN SER 13 37.687 11.247 0.732
125 HA SER 13 HA SER 13 39.745 10.966 2.574
126 HB2 SER 13 HB2 SER 13 38.369 9.355 3.713
127 HB3 SER 13 HB1 SER 13 37.280 10.522 2.930
128 HG SER 13 HG SER 13 37.103 9.002 1.194
129 H LEU 14 HN LEU 14 41.251 9.430 3.164
130 HA LEU 14 HA LEU 14 42.845 7.803 2.776
131 HB2 LEU 14 HB2 LEU 14 40.546 6.481 2.812
132 HB3 LEU 14 HB1 LEU 14 40.868 6.242 1.083
133 HG LEU 14 HG LEU 14 42.668 5.441 3.416
134 HD11 LEU 14 HD11 LEU 14 41.304 3.766 1.264
135 HD12 LEU 14 HD12 LEU 14 40.655 4.006 2.904
136 HD13 LEU 14 HD13 LEU 14 42.209 3.167 2.674
137 HD21 LEU 14 HD21 LEU 14 44.022 4.360 1.492
138 HD22 LEU 14 HD22 LEU 14 44.165 6.122 1.676
139 HD23 LEU 14 HD23 LEU 14 43.122 5.441 0.403
140 H LEU 15 HN LEU 15 44.122 9.205 1.507
141 HA LEU 15 HA LEU 15 43.785 9.072 -1.452
142 HB2 LEU 15 HB2 LEU 15 45.920 10.630 -1.245
143 HB3 LEU 15 HB1 LEU 15 44.312 11.266 -0.834
144 HG LEU 15 HG LEU 15 44.706 10.895 1.544
145 HD11 LEU 15 HD11 LEU 15 46.004 8.883 1.612
146 HD12 LEU 15 HD12 LEU 15 47.083 10.152 2.231
147 HD13 LEU 15 HD13 LEU 15 47.264 9.570 0.559
148 HD21 LEU 15 HD21 LEU 15 46.453 12.537 1.894
149 HD22 LEU 15 HD22 LEU 15 45.609 12.962 0.385
150 HD23 LEU 15 HD23 LEU 15 47.195 12.157 0.320
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 17.455 3.224 2.041
2 H2 LYS 1 HT2 LYS 1 16.386 4.214 1.165
3 H3 LYS 1 HT3 LYS 1 17.345 4.877 2.400
4 HA LYS 1 HA LYS 1 18.572 3.547 0.099
5 HB2 LYS 1 HB2 LYS 1 18.729 5.815 -0.960
6 HB3 LYS 1 HB1 LYS 1 17.069 5.180 -0.891
7 HG2 LYS 1 HG2 LYS 1 16.677 6.496 1.195
8 HG3 LYS 1 HG1 LYS 1 18.315 7.178 1.048
9 HD2 LYS 1 HD2 LYS 1 17.758 8.217 -1.080
10 HD3 LYS 1 HD1 LYS 1 16.172 7.407 -1.108
11 HE2 LYS 1 HE2 LYS 1 15.847 9.697 -0.349
12 HE3 LYS 1 HE1 LYS 1 15.596 8.607 1.036
13 HZ1 LYS 1 HZ1 LYS 1 17.105 9.857 2.064
14 HZ2 LYS 1 HZ2 LYS 1 17.600 10.622 0.631
15 HZ3 LYS 1 HZ3 LYS 1 18.273 9.126 1.076
16 H LYS 2 HN LYS 2 20.690 4.691 -0.357
17 HA LYS 2 HA LYS 2 21.857 6.221 1.851
18 HB2 LYS 2 HB2 LYS 2 23.727 4.290 2.046
19 HB3 LYS 2 HB1 LYS 2 22.273 4.278 3.064
20 HG2 LYS 2 HG2 LYS 2 22.680 2.053 2.077
21 HG3 LYS 2 HG1 LYS 2 21.154 2.736 1.481
22 HD2 LYS 2 HD2 LYS 2 22.210 3.395 -0.618
23 HD3 LYS 2 HD1 LYS 2 23.811 2.907 -0.007
24 HE2 LYS 2 HE2 LYS 2 22.752 1.194 -1.516
25 HE3 LYS 2 HE1 LYS 2 23.117 0.577 0.113
26 HZ1 LYS 2 HZ1 LYS 2 20.752 0.286 -1.036
27 HZ2 LYS 2 HZ2 LYS 2 20.487 1.785 -0.283
28 HZ3 LYS 2 HZ3 LYS 2 20.937 0.434 0.642
29 H LEU 3 HN LEU 3 21.667 7.289 -0.369
30 HA LEU 3 HA LEU 3 24.162 6.760 -1.963
31 HB2 LEU 3 HB2 LEU 3 21.911 8.684 -2.664
32 HB3 LEU 3 HB1 LEU 3 23.133 7.963 -3.739
33 HG LEU 3 HG LEU 3 20.873 6.483 -2.323
34 HD11 LEU 3 HD11 LEU 3 20.291 7.930 -4.327
35 HD12 LEU 3 HD12 LEU 3 19.945 6.197 -4.541
36 HD13 LEU 3 HD13 LEU 3 21.387 6.916 -5.296
37 HD21 LEU 3 HD21 LEU 3 23.207 5.543 -4.040
38 HD22 LEU 3 HD22 LEU 3 21.723 4.579 -3.855
39 HD23 LEU 3 HD23 LEU 3 22.717 4.960 -2.431
40 H LEU 4 HN LEU 4 23.250 8.255 0.739
41 HA LEU 4 HA LEU 4 24.260 10.970 0.192
42 HB2 LEU 4 HB2 LEU 4 23.847 9.808 2.959
43 HB3 LEU 4 HB1 LEU 4 23.632 11.480 2.396
44 HG LEU 4 HG LEU 4 21.886 9.083 1.678
45 HD11 LEU 4 HD11 LEU 4 21.328 11.637 3.251
46 HD12 LEU 4 HD12 LEU 4 21.539 10.014 3.952
47 HD13 LEU 4 HD13 LEU 4 20.148 10.353 2.893
48 HD21 LEU 4 HD21 LEU 4 20.477 10.922 0.570
49 HD22 LEU 4 HD22 LEU 4 21.985 10.497 -0.271
50 HD23 LEU 4 HD23 LEU 4 21.903 11.977 0.716
51 HA PRO 5 HA PRO 5 28.050 9.376 2.560
52 HB2 PRO 5 HB2 PRO 5 28.463 6.752 3.044
53 HB3 PRO 5 HB1 PRO 5 27.300 7.705 4.022
54 HG2 PRO 5 HG2 PRO 5 26.773 5.748 1.808
55 HG3 PRO 5 HG1 PRO 5 25.850 6.046 3.313
56 HD2 PRO 5 HD2 PRO 5 25.241 7.114 0.743
57 HD3 PRO 5 HD1 PRO 5 24.553 7.675 2.298
58 H ILE 6 HN ILE 6 26.926 7.877 -0.340
59 HA ILE 6 HA ILE 6 29.480 6.791 -1.215
60 HB ILE 6 HB ILE 6 27.169 7.671 -2.997
61 HG12 ILE 6 HG12 ILE 6 27.587 5.034 -1.511
62 HG13 ILE 6 HG11 ILE 6 26.330 6.237 -1.155
63 HG21 ILE 6 HG21 ILE 6 29.146 5.373 -3.323
64 HG22 ILE 6 HG22 ILE 6 29.445 6.997 -3.985
65 HG23 ILE 6 HG23 ILE 6 28.048 6.053 -4.546
66 HD11 ILE 6 HD1 ILE 6 26.604 4.450 -3.592
67 HD12 ILE 6 HD2 ILE 6 25.632 5.939 -3.658
68 HD13 ILE 6 HD3 ILE 6 25.209 4.649 -2.510
69 H VAL 7 HN VAL 7 27.858 9.921 -1.397
70 HA VAL 7 HA VAL 7 29.396 11.097 -3.440
71 HB VAL 7 HB VAL 7 28.433 12.469 -0.927
72 HG11 VAL 7 HG11 VAL 7 28.238 14.437 -2.516
73 HG12 VAL 7 HG12 VAL 7 29.060 13.450 -3.748
74 HG13 VAL 7 HG13 VAL 7 29.908 13.887 -2.246
75 HG21 VAL 7 HG21 VAL 7 26.348 12.923 -2.199
76 HG22 VAL 7 HG22 VAL 7 26.611 11.173 -2.006
77 HG23 VAL 7 HG23 VAL 7 26.971 11.961 -3.561
78 H ALA 8 HN ALA 8 30.018 10.381 -0.268
79 HA ALA 8 HA ALA 8 32.396 12.001 0.115
80 HB1 ALA 8 HB1 ALA 8 32.670 10.821 2.174
81 HB2 ALA 8 HB2 ALA 8 31.673 9.461 1.604
82 HB3 ALA 8 HB3 ALA 8 30.920 11.039 1.939
83 H ASN 9 HN ASN 9 31.750 8.706 -1.033
84 HA ASN 9 HA ASN 9 34.356 7.639 -0.901
85 HB2 ASN 9 HB2 ASN 9 32.320 7.252 -3.134
86 HB3 ASN 9 HB1 ASN 9 33.678 6.168 -2.744
87 HD21 ASN 9 HD21 ASN 9 32.875 7.186 0.253
88 HD22 ASN 9 HD22 ASN 9 31.636 5.997 0.668
89 H LEU 10 HN LEU 10 32.862 9.694 -3.420
90 HA LEU 10 HA LEU 10 35.033 9.642 -5.256
91 HB2 LEU 10 HB2 LEU 10 32.877 11.686 -4.623
92 HB3 LEU 10 HB1 LEU 10 34.102 12.002 -5.874
93 HG LEU 10 HG LEU 10 33.456 9.916 -7.044
94 HD11 LEU 10 HD11 LEU 10 31.539 9.679 -4.692
95 HD12 LEU 10 HD12 LEU 10 32.688 8.469 -5.314
96 HD13 LEU 10 HD13 LEU 10 31.223 8.861 -6.242
97 HD21 LEU 10 HD21 LEU 10 31.325 10.712 -7.896
98 HD22 LEU 10 HD22 LEU 10 32.314 12.134 -7.488
99 HD23 LEU 10 HD23 LEU 10 31.008 11.614 -6.395
100 H LEU 11 HN LEU 11 34.328 11.908 -2.558
101 HA LEU 11 HA LEU 11 36.823 13.366 -2.962
102 HB2 LEU 11 HB2 LEU 11 35.190 13.361 -0.404
103 HB3 LEU 11 HB1 LEU 11 36.152 14.680 -1.114
104 HG LEU 11 HG LEU 11 33.545 13.525 -2.200
105 HD11 LEU 11 HD11 LEU 11 34.303 16.273 -1.109
106 HD12 LEU 11 HD12 LEU 11 33.300 15.060 -0.277
107 HD13 LEU 11 HD13 LEU 11 32.714 15.826 -1.773
108 HD21 LEU 11 HD21 LEU 11 35.518 15.546 -3.347
109 HD22 LEU 11 HD22 LEU 11 33.816 15.470 -3.867
110 HD23 LEU 11 HD23 LEU 11 34.886 14.072 -4.118
111 H LYS 12 HN LYS 12 36.065 10.342 -1.658
112 HA LYS 12 HA LYS 12 37.261 8.849 -0.349
113 HB2 LYS 12 HB2 LYS 12 38.964 9.315 -2.115
114 HB3 LYS 12 HB1 LYS 12 39.625 10.614 -1.093
115 HG2 LYS 12 HG2 LYS 12 40.269 9.061 0.629
116 HG3 LYS 12 HG1 LYS 12 39.337 7.743 -0.117
117 HD2 LYS 12 HD2 LYS 12 41.779 7.530 -0.569
118 HD3 LYS 12 HD1 LYS 12 40.836 7.735 -2.063
119 HE2 LYS 12 HE2 LYS 12 43.001 9.155 -1.789
120 HE3 LYS 12 HE1 LYS 12 41.528 9.988 -2.335
121 HZ1 LYS 12 HZ1 LYS 12 41.229 10.971 -0.288
122 HZ2 LYS 12 HZ2 LYS 12 42.924 10.966 -0.402
123 HZ3 LYS 12 HZ3 LYS 12 42.129 9.803 0.548
124 H SER 13 HN SER 13 36.080 9.723 1.517
125 HA SER 13 HA SER 13 37.416 11.698 3.211
126 HB2 SER 13 HB2 SER 13 35.645 10.942 4.879
127 HB3 SER 13 HB1 SER 13 35.028 11.578 3.338
128 HG SER 13 HG SER 13 34.763 9.442 2.636
129 H LEU 14 HN LEU 14 36.221 8.907 4.871
130 HA LEU 14 HA LEU 14 37.291 7.541 6.419
131 HB2 LEU 14 HB2 LEU 14 39.506 7.293 4.358
132 HB3 LEU 14 HB1 LEU 14 38.917 6.067 5.507
133 HG LEU 14 HG LEU 14 37.389 7.206 3.125
134 HD11 LEU 14 HD11 LEU 14 38.380 4.380 3.707
135 HD12 LEU 14 HD12 LEU 14 39.213 5.538 2.643
136 HD13 LEU 14 HD13 LEU 14 37.588 4.950 2.218
137 HD21 LEU 14 HD21 LEU 14 35.746 6.790 4.811
138 HD22 LEU 14 HD22 LEU 14 36.584 5.327 5.385
139 HD23 LEU 14 HD23 LEU 14 35.747 5.317 3.814
140 H LEU 15 HN LEU 15 37.643 9.491 7.753
141 HA LEU 15 HA LEU 15 40.300 10.717 7.720
142 HB2 LEU 15 HB2 LEU 15 38.322 10.815 10.021
143 HB3 LEU 15 HB1 LEU 15 39.518 12.037 9.526
144 HG LEU 15 HG LEU 15 37.012 11.220 7.989
145 HD11 LEU 15 HD11 LEU 15 37.805 13.882 9.247
146 HD12 LEU 15 HD12 LEU 15 36.725 12.695 10.018
147 HD13 LEU 15 HD13 LEU 15 36.246 13.473 8.490
148 HD21 LEU 15 HD21 LEU 15 39.339 13.064 7.303
149 HD22 LEU 15 HD22 LEU 15 37.743 13.225 6.530
150 HD23 LEU 15 HD23 LEU 15 38.676 11.723 6.338
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 17.353 12.355 1.372
2 H2 LYS 1 HT2 LYS 1 18.342 12.142 0.005
3 H3 LYS 1 HT3 LYS 1 18.912 11.710 1.548
4 HA LYS 1 HA LYS 1 17.118 10.063 1.699
5 HB2 LYS 1 HB2 LYS 1 15.660 11.135 -0.007
6 HB3 LYS 1 HB1 LYS 1 16.849 10.715 -1.264
7 HG2 LYS 1 HG2 LYS 1 16.525 8.355 -0.907
8 HG3 LYS 1 HG1 LYS 1 15.577 8.644 0.572
9 HD2 LYS 1 HD2 LYS 1 13.758 9.613 -0.683
10 HD3 LYS 1 HD1 LYS 1 14.728 9.650 -2.174
11 HE2 LYS 1 HE2 LYS 1 14.846 7.163 -2.144
12 HE3 LYS 1 HE1 LYS 1 13.834 7.144 -0.681
13 HZ1 LYS 1 HZ1 LYS 1 12.104 7.138 -2.054
14 HZ2 LYS 1 HZ2 LYS 1 13.067 7.464 -3.416
15 HZ3 LYS 1 HZ3 LYS 1 12.484 8.741 -2.457
16 H LYS 2 HN LYS 2 19.247 9.260 2.258
17 HA LYS 2 HA LYS 2 21.086 7.883 1.917
18 HB2 LYS 2 HB2 LYS 2 19.544 6.806 -0.470
19 HB3 LYS 2 HB1 LYS 2 20.741 5.953 0.534
20 HG2 LYS 2 HG2 LYS 2 19.213 6.221 2.508
21 HG3 LYS 2 HG1 LYS 2 17.997 6.940 1.426
22 HD2 LYS 2 HD2 LYS 2 17.903 4.887 0.095
23 HD3 LYS 2 HD1 LYS 2 19.211 4.166 1.064
24 HE2 LYS 2 HE2 LYS 2 16.918 3.393 1.759
25 HE3 LYS 2 HE1 LYS 2 17.816 4.200 3.066
26 HZ1 LYS 2 HZ1 LYS 2 15.565 5.026 2.963
27 HZ2 LYS 2 HZ2 LYS 2 15.741 5.440 1.325
28 HZ3 LYS 2 HZ3 LYS 2 16.637 6.261 2.512
29 H LEU 3 HN LEU 3 22.297 6.786 -0.271
30 HA LEU 3 HA LEU 3 23.838 7.318 -1.909
31 HB2 LEU 3 HB2 LEU 3 22.176 9.774 -2.577
32 HB3 LEU 3 HB1 LEU 3 23.245 8.839 -3.644
33 HG LEU 3 HG LEU 3 20.610 7.887 -2.433
34 HD11 LEU 3 HD11 LEU 3 21.460 8.379 -5.321
35 HD12 LEU 3 HD12 LEU 3 20.450 9.482 -4.353
36 HD13 LEU 3 HD13 LEU 3 19.851 7.857 -4.766
37 HD21 LEU 3 HD21 LEU 3 21.085 5.893 -4.022
38 HD22 LEU 3 HD22 LEU 3 22.019 5.957 -2.512
39 HD23 LEU 3 HD23 LEU 3 22.771 6.466 -4.044
40 H LEU 4 HN LEU 4 23.269 9.043 0.826
41 HA LEU 4 HA LEU 4 25.035 11.328 0.322
42 HB2 LEU 4 HB2 LEU 4 24.324 10.236 3.062
43 HB3 LEU 4 HB1 LEU 4 24.699 11.907 2.591
44 HG LEU 4 HG LEU 4 22.225 10.314 1.801
45 HD11 LEU 4 HD11 LEU 4 22.376 11.235 4.160
46 HD12 LEU 4 HD12 LEU 4 21.028 11.886 3.197
47 HD13 LEU 4 HD13 LEU 4 22.496 12.861 3.447
48 HD21 LEU 4 HD21 LEU 4 22.754 11.719 -0.074
49 HD22 LEU 4 HD22 LEU 4 23.254 13.063 0.981
50 HD23 LEU 4 HD23 LEU 4 21.535 12.616 0.858
51 HA PRO 5 HA PRO 5 28.267 8.622 2.484
52 HB2 PRO 5 HB2 PRO 5 27.889 5.999 2.959
53 HB3 PRO 5 HB1 PRO 5 27.085 7.240 3.973
54 HG2 PRO 5 HG2 PRO 5 25.943 5.543 1.780
55 HG3 PRO 5 HG1 PRO 5 25.188 6.096 3.304
56 HD2 PRO 5 HD2 PRO 5 24.880 7.311 0.733
57 HD3 PRO 5 HD1 PRO 5 24.390 8.026 2.303
58 H ILE 6 HN ILE 6 27.693 8.938 -0.352
59 HA ILE 6 HA ILE 6 29.548 6.830 -1.425
60 HB ILE 6 HB ILE 6 27.139 7.860 -2.988
61 HG12 ILE 6 HG12 ILE 6 27.443 5.297 -1.356
62 HG13 ILE 6 HG11 ILE 6 26.303 6.623 -1.037
63 HG21 ILE 6 HG21 ILE 6 29.239 6.901 -4.138
64 HG22 ILE 6 HG22 ILE 6 27.694 6.120 -4.538
65 HG23 ILE 6 HG23 ILE 6 28.812 5.344 -3.390
66 HD11 ILE 6 HD1 ILE 6 25.422 6.183 -3.449
67 HD12 ILE 6 HD2 ILE 6 24.997 5.006 -2.184
68 HD13 ILE 6 HD3 ILE 6 26.302 4.640 -3.335
69 H VAL 7 HN VAL 7 28.008 10.028 -1.752
70 HA VAL 7 HA VAL 7 29.696 10.934 -3.871
71 HB VAL 7 HB VAL 7 28.364 12.581 -1.715
72 HG11 VAL 7 HG11 VAL 7 29.439 13.231 -4.494
73 HG12 VAL 7 HG12 VAL 7 29.962 13.918 -2.937
74 HG13 VAL 7 HG13 VAL 7 28.356 14.316 -3.591
75 HG21 VAL 7 HG21 VAL 7 27.338 11.627 -4.430
76 HG22 VAL 7 HG22 VAL 7 26.515 12.825 -3.403
77 HG23 VAL 7 HG23 VAL 7 26.713 11.151 -2.833
78 H ALA 8 HN ALA 8 29.931 10.698 -0.576
79 HA ALA 8 HA ALA 8 32.309 12.398 -0.241
80 HB1 ALA 8 HB1 ALA 8 30.528 12.030 1.520
81 HB2 ALA 8 HB2 ALA 8 32.203 11.784 2.070
82 HB3 ALA 8 HB3 ALA 8 31.166 10.381 1.715
83 H ASN 9 HN ASN 9 31.575 9.018 -0.836
84 HA ASN 9 HA ASN 9 34.026 7.867 0.063
85 HB2 ASN 9 HB2 ASN 9 32.042 6.540 -0.570
86 HB3 ASN 9 HB1 ASN 9 32.254 7.029 -2.268
87 HD21 ASN 9 HD21 ASN 9 32.522 4.649 -2.737
88 HD22 ASN 9 HD22 ASN 9 34.098 3.910 -2.434
89 H LEU 10 HN LEU 10 33.065 9.023 -3.203
90 HA LEU 10 HA LEU 10 35.743 8.588 -4.276
91 HB2 LEU 10 HB2 LEU 10 33.595 10.375 -5.466
92 HB3 LEU 10 HB1 LEU 10 34.876 9.469 -6.306
93 HG LEU 10 HG LEU 10 32.495 8.280 -4.814
94 HD11 LEU 10 HD11 LEU 10 33.261 8.294 -7.769
95 HD12 LEU 10 HD12 LEU 10 31.972 9.275 -7.032
96 HD13 LEU 10 HD13 LEU 10 31.832 7.502 -7.065
97 HD21 LEU 10 HD21 LEU 10 34.298 6.746 -4.493
98 HD22 LEU 10 HD22 LEU 10 34.947 7.032 -6.126
99 HD23 LEU 10 HD23 LEU 10 33.431 6.122 -5.914
100 H LEU 11 HN LEU 11 34.250 11.048 -2.393
101 HA LEU 11 HA LEU 11 36.385 13.031 -3.176
102 HB2 LEU 11 HB2 LEU 11 33.896 13.645 -3.385
103 HB3 LEU 11 HB1 LEU 11 33.841 13.585 -1.610
104 HG LEU 11 HG LEU 11 35.957 15.197 -1.763
105 HD11 LEU 11 HD11 LEU 11 34.604 15.595 -4.476
106 HD12 LEU 11 HD12 LEU 11 36.295 15.121 -4.185
107 HD13 LEU 11 HD13 LEU 11 35.739 16.749 -3.742
108 HD21 LEU 11 HD21 LEU 11 34.419 17.167 -1.812
109 HD22 LEU 11 HD22 LEU 11 33.799 15.850 -0.785
110 HD23 LEU 11 HD23 LEU 11 33.116 16.111 -2.408
111 H LYS 12 HN LYS 12 37.924 11.816 -1.857
112 HA LYS 12 HA LYS 12 39.111 11.513 0.112
113 HB2 LYS 12 HB2 LYS 12 37.465 13.815 1.221
114 HB3 LYS 12 HB1 LYS 12 39.095 13.303 1.715
115 HG2 LYS 12 HG2 LYS 12 38.356 14.384 -1.045
116 HG3 LYS 12 HG1 LYS 12 39.143 15.321 0.247
117 HD2 LYS 12 HD2 LYS 12 40.951 13.436 0.237
118 HD3 LYS 12 HD1 LYS 12 40.250 12.968 -1.331
119 HE2 LYS 12 HE2 LYS 12 41.292 15.751 -0.648
120 HE3 LYS 12 HE1 LYS 12 42.178 14.529 -1.589
121 HZ1 LYS 12 HZ1 LYS 12 40.270 16.350 -2.503
122 HZ2 LYS 12 HZ2 LYS 12 39.579 14.805 -2.639
123 HZ3 LYS 12 HZ3 LYS 12 41.066 15.142 -3.387
124 H SER 13 HN SER 13 38.109 9.470 0.456
125 HA SER 13 HA SER 13 35.709 9.276 2.103
126 HB2 SER 13 HB2 SER 13 36.417 7.536 0.450
127 HB3 SER 13 HB1 SER 13 37.810 7.161 1.488
128 HG SER 13 HG SER 13 35.338 6.241 1.674
129 H LEU 14 HN LEU 14 36.382 10.690 3.870
130 HA LEU 14 HA LEU 14 38.602 9.868 5.578
131 HB2 LEU 14 HB2 LEU 14 36.247 11.713 6.140
132 HB3 LEU 14 HB1 LEU 14 37.720 11.582 7.124
133 HG LEU 14 HG LEU 14 37.828 12.277 4.157
134 HD11 LEU 14 HD11 LEU 14 36.385 13.941 5.272
135 HD12 LEU 14 HD12 LEU 14 37.955 14.661 4.844
136 HD13 LEU 14 HD13 LEU 14 37.621 14.189 6.528
137 HD21 LEU 14 HD21 LEU 14 39.733 12.566 6.529
138 HD22 LEU 14 HD22 LEU 14 39.979 13.426 4.992
139 HD23 LEU 14 HD23 LEU 14 39.986 11.651 5.026
140 H LEU 15 HN LEU 15 37.683 9.990 8.123
141 HA LEU 15 HA LEU 15 36.839 7.339 8.636
142 HB2 LEU 15 HB2 LEU 15 36.750 9.897 10.267
143 HB3 LEU 15 HB1 LEU 15 36.138 8.364 10.932
144 HG LEU 15 HG LEU 15 38.337 7.300 10.508
145 HD11 LEU 15 HD11 LEU 15 40.265 8.949 9.972
146 HD12 LEU 15 HD12 LEU 15 38.995 10.056 9.399
147 HD13 LEU 15 HD13 LEU 15 39.211 8.469 8.622
148 HD21 LEU 15 HD21 LEU 15 37.796 8.546 12.660
149 HD22 LEU 15 HD22 LEU 15 38.683 9.940 11.994
150 HD23 LEU 15 HD23 LEU 15 39.534 8.406 12.299
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 17.168 9.436 -5.707
2 H2 LYS 1 HT2 LYS 1 16.989 10.854 -6.626
3 H3 LYS 1 HT3 LYS 1 16.181 10.692 -5.139
4 HA LYS 1 HA LYS 1 18.826 11.565 -5.708
5 HB2 LYS 1 HB2 LYS 1 16.883 11.659 -3.374
6 HB3 LYS 1 HB1 LYS 1 18.531 12.317 -3.250
7 HG2 LYS 1 HG2 LYS 1 16.958 14.098 -3.874
8 HG3 LYS 1 HG1 LYS 1 18.080 13.779 -5.218
9 HD2 LYS 1 HD2 LYS 1 16.433 12.649 -6.496
10 HD3 LYS 1 HD1 LYS 1 15.386 12.371 -5.083
11 HE2 LYS 1 HE2 LYS 1 16.021 15.155 -6.143
12 HE3 LYS 1 HE1 LYS 1 14.619 14.206 -6.697
13 HZ1 LYS 1 HZ1 LYS 1 14.049 15.690 -4.863
14 HZ2 LYS 1 HZ2 LYS 1 15.204 14.939 -3.869
15 HZ3 LYS 1 HZ3 LYS 1 13.853 14.066 -4.415
16 H LYS 2 HN LYS 2 20.584 11.255 -4.093
17 HA LYS 2 HA LYS 2 20.566 8.870 -2.443
18 HB2 LYS 2 HB2 LYS 2 20.745 7.961 -4.852
19 HB3 LYS 2 HB1 LYS 2 22.357 8.712 -4.896
20 HG2 LYS 2 HG2 LYS 2 23.142 7.342 -3.071
21 HG3 LYS 2 HG1 LYS 2 21.500 6.761 -2.711
22 HD2 LYS 2 HD2 LYS 2 22.806 5.061 -3.953
23 HD3 LYS 2 HD1 LYS 2 21.402 5.619 -4.894
24 HE2 LYS 2 HE2 LYS 2 24.099 6.967 -5.256
25 HE3 LYS 2 HE1 LYS 2 23.744 5.433 -6.084
26 HZ1 LYS 2 HZ1 LYS 2 22.973 7.973 -6.863
27 HZ2 LYS 2 HZ2 LYS 2 21.551 7.218 -6.321
28 HZ3 LYS 2 HZ3 LYS 2 22.486 6.497 -7.543
29 H LEU 3 HN LEU 3 21.071 11.370 -1.699
30 HA LEU 3 HA LEU 3 23.883 12.082 -1.929
31 HB2 LEU 3 HB2 LEU 3 21.580 12.966 -0.155
32 HB3 LEU 3 HB1 LEU 3 23.235 13.546 0.140
33 HG LEU 3 HG LEU 3 23.361 14.462 -2.132
34 HD11 LEU 3 HD11 LEU 3 22.065 12.938 -3.438
35 HD12 LEU 3 HD12 LEU 3 21.161 14.467 -3.487
36 HD13 LEU 3 HD13 LEU 3 20.627 13.153 -2.412
37 HD21 LEU 3 HD21 LEU 3 22.295 15.782 -0.252
38 HD22 LEU 3 HD22 LEU 3 20.707 15.246 -0.851
39 HD23 LEU 3 HD23 LEU 3 21.747 16.264 -1.875
40 H LEU 4 HN LEU 4 22.491 9.452 -0.640
41 HA LEU 4 HA LEU 4 23.362 9.176 2.000
42 HB2 LEU 4 HB2 LEU 4 23.628 7.010 -0.117
43 HB3 LEU 4 HB1 LEU 4 23.357 6.788 1.624
44 HG LEU 4 HG LEU 4 21.420 8.049 -0.367
45 HD11 LEU 4 HD11 LEU 4 21.603 5.573 -0.459
46 HD12 LEU 4 HD12 LEU 4 20.025 6.090 0.181
47 HD13 LEU 4 HD13 LEU 4 21.283 5.492 1.289
48 HD21 LEU 4 HD21 LEU 4 21.047 9.242 1.656
49 HD22 LEU 4 HD22 LEU 4 21.391 7.817 2.669
50 HD23 LEU 4 HD23 LEU 4 19.875 7.907 1.740
51 HA PRO 5 HA PRO 5 27.804 9.416 2.266
52 HB2 PRO 5 HB2 PRO 5 27.664 6.592 3.369
53 HB3 PRO 5 HB1 PRO 5 28.602 8.000 3.965
54 HG2 PRO 5 HG2 PRO 5 26.330 7.273 5.155
55 HG3 PRO 5 HG1 PRO 5 26.732 9.003 4.919
56 HD2 PRO 5 HD2 PRO 5 24.706 7.317 3.470
57 HD3 PRO 5 HD1 PRO 5 24.705 9.080 3.808
58 H ILE 6 HN ILE 6 27.930 9.354 -0.109
59 HA ILE 6 HA ILE 6 29.462 6.976 -1.010
60 HB ILE 6 HB ILE 6 27.076 7.950 -2.655
61 HG12 ILE 6 HG12 ILE 6 27.397 5.481 -0.882
62 HG13 ILE 6 HG11 ILE 6 26.207 6.783 -0.688
63 HG21 ILE 6 HG21 ILE 6 28.759 5.425 -2.964
64 HG22 ILE 6 HG22 ILE 6 29.156 6.942 -3.803
65 HG23 ILE 6 HG23 ILE 6 27.614 6.127 -4.130
66 HD11 ILE 6 HD1 ILE 6 24.975 5.064 -1.749
67 HD12 ILE 6 HD2 ILE 6 26.324 4.637 -2.826
68 HD13 ILE 6 HD3 ILE 6 25.416 6.147 -3.092
69 H VAL 7 HN VAL 7 28.021 10.155 -1.784
70 HA VAL 7 HA VAL 7 29.775 10.785 -3.919
71 HB VAL 7 HB VAL 7 28.548 12.700 -1.929
72 HG11 VAL 7 HG11 VAL 7 30.200 13.825 -3.292
73 HG12 VAL 7 HG12 VAL 7 28.607 14.242 -3.966
74 HG13 VAL 7 HG13 VAL 7 29.620 13.017 -4.766
75 HG21 VAL 7 HG21 VAL 7 26.693 12.869 -3.614
76 HG22 VAL 7 HG22 VAL 7 26.820 11.246 -2.892
77 HG23 VAL 7 HG23 VAL 7 27.446 11.542 -4.532
78 H ALA 8 HN ALA 8 30.031 10.860 -0.618
79 HA ALA 8 HA ALA 8 32.409 12.525 -0.394
80 HB1 ALA 8 HB1 ALA 8 32.406 11.923 1.921
81 HB2 ALA 8 HB2 ALA 8 31.410 10.480 1.610
82 HB3 ALA 8 HB3 ALA 8 30.706 12.106 1.433
83 H ASN 9 HN ASN 9 31.757 9.028 -0.561
84 HA ASN 9 HA ASN 9 34.303 8.037 0.098
85 HB2 ASN 9 HB2 ASN 9 32.450 7.023 -2.095
86 HB3 ASN 9 HB1 ASN 9 33.734 6.091 -1.286
87 HD21 ASN 9 HD21 ASN 9 32.175 4.543 -0.398
88 HD22 ASN 9 HD22 ASN 9 31.104 5.015 0.925
89 H LEU 10 HN LEU 10 33.160 9.522 -2.915
90 HA LEU 10 HA LEU 10 35.588 8.862 -4.398
91 HB2 LEU 10 HB2 LEU 10 33.642 11.092 -5.075
92 HB3 LEU 10 HB1 LEU 10 34.626 10.098 -6.176
93 HG LEU 10 HG LEU 10 32.268 9.148 -4.490
94 HD11 LEU 10 HD11 LEU 10 31.795 10.506 -6.582
95 HD12 LEU 10 HD12 LEU 10 31.142 8.850 -6.613
96 HD13 LEU 10 HD13 LEU 10 32.627 9.240 -7.514
97 HD21 LEU 10 HD21 LEU 10 33.815 7.318 -4.566
98 HD22 LEU 10 HD22 LEU 10 34.268 7.670 -6.250
99 HD23 LEU 10 HD23 LEU 10 32.660 7.003 -5.881
100 H LEU 11 HN LEU 11 34.335 11.716 -2.654
101 HA LEU 11 HA LEU 11 36.281 13.593 -3.399
102 HB2 LEU 11 HB2 LEU 11 34.399 14.259 -2.052
103 HB3 LEU 11 HB1 LEU 11 34.864 13.151 -0.743
104 HG LEU 11 HG LEU 11 36.818 14.479 -0.203
105 HD11 LEU 11 HD11 LEU 11 37.183 16.669 -1.546
106 HD12 LEU 11 HD12 LEU 11 36.155 15.928 -2.796
107 HD13 LEU 11 HD13 LEU 11 37.684 15.150 -2.323
108 HD21 LEU 11 HD21 LEU 11 34.549 16.428 -0.786
109 HD22 LEU 11 HD22 LEU 11 35.770 16.543 0.504
110 HD23 LEU 11 HD23 LEU 11 34.528 15.269 0.563
111 H LYS 12 HN LYS 12 36.420 12.001 -0.188
112 HA LYS 12 HA LYS 12 39.133 11.024 -0.622
113 HB2 LYS 12 HB2 LYS 12 39.470 13.525 -0.344
114 HB3 LYS 12 HB1 LYS 12 38.816 13.356 1.302
115 HG2 LYS 12 HG2 LYS 12 40.605 11.843 1.933
116 HG3 LYS 12 HG1 LYS 12 41.189 11.752 0.256
117 HD2 LYS 12 HD2 LYS 12 42.588 13.291 1.600
118 HD3 LYS 12 HD1 LYS 12 41.738 14.165 0.304
119 HE2 LYS 12 HE2 LYS 12 40.223 15.179 1.809
120 HE3 LYS 12 HE1 LYS 12 40.504 13.955 3.072
121 HZ1 LYS 12 HZ1 LYS 12 42.150 15.166 3.890
122 HZ2 LYS 12 HZ2 LYS 12 41.747 16.411 2.806
123 HZ3 LYS 12 HZ3 LYS 12 42.927 15.264 2.386
124 H SER 13 HN SER 13 37.467 9.310 0.054
125 HA SER 13 HA SER 13 36.668 7.864 1.686
126 HB2 SER 13 HB2 SER 13 38.909 8.972 3.409
127 HB3 SER 13 HB1 SER 13 38.173 7.357 3.483
128 HG SER 13 HG SER 13 40.263 7.698 2.271
129 H LEU 14 HN LEU 14 36.011 7.689 4.107
130 HA LEU 14 HA LEU 14 34.254 9.984 4.624
131 HB2 LEU 14 HB2 LEU 14 34.717 7.601 6.452
132 HB3 LEU 14 HB1 LEU 14 33.262 8.615 6.297
133 HG LEU 14 HG LEU 14 34.373 6.711 4.186
134 HD11 LEU 14 HD11 LEU 14 31.782 6.650 5.798
135 HD12 LEU 14 HD12 LEU 14 33.217 5.655 6.142
136 HD13 LEU 14 HD13 LEU 14 32.325 5.434 4.617
137 HD21 LEU 14 HD21 LEU 14 32.106 7.311 3.073
138 HD22 LEU 14 HD22 LEU 14 33.396 8.532 2.984
139 HD23 LEU 14 HD23 LEU 14 32.077 8.715 4.167
140 H LEU 15 HN LEU 15 35.697 11.701 5.051
141 HA LEU 15 HA LEU 15 36.484 11.843 7.863
142 HB2 LEU 15 HB2 LEU 15 38.442 10.650 7.033
143 HB3 LEU 15 HB1 LEU 15 38.617 11.795 5.687
144 HG LEU 15 HG LEU 15 39.146 13.616 7.243
145 HD11 LEU 15 HD11 LEU 15 37.842 13.217 9.187
146 HD12 LEU 15 HD12 LEU 15 39.499 12.889 9.738
147 HD13 LEU 15 HD13 LEU 15 38.410 11.537 9.340
148 HD21 LEU 15 HD21 LEU 15 40.981 12.126 6.509
149 HD22 LEU 15 HD22 LEU 15 40.683 11.064 7.907
150 HD23 LEU 15 HD23 LEU 15 41.269 12.727 8.159
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 17.969 12.859 -4.701
2 H2 LYS 1 HT2 LYS 1 19.443 13.698 -4.787
3 H3 LYS 1 HT3 LYS 1 19.211 12.501 -3.605
4 HA LYS 1 HA LYS 1 18.694 11.150 -5.846
5 HB2 LYS 1 HB2 LYS 1 20.883 13.196 -6.372
6 HB3 LYS 1 HB1 LYS 1 20.668 11.705 -7.321
7 HG2 LYS 1 HG2 LYS 1 18.485 12.383 -8.066
8 HG3 LYS 1 HG1 LYS 1 18.431 13.727 -6.901
9 HD2 LYS 1 HD2 LYS 1 18.951 14.555 -9.172
10 HD3 LYS 1 HD1 LYS 1 20.321 14.823 -8.069
11 HE2 LYS 1 HE2 LYS 1 20.193 12.292 -9.742
12 HE3 LYS 1 HE1 LYS 1 20.786 13.811 -10.453
13 HZ1 LYS 1 HZ1 LYS 1 22.015 13.618 -7.994
14 HZ2 LYS 1 HZ2 LYS 1 22.725 13.356 -9.515
15 HZ3 LYS 1 HZ3 LYS 1 22.089 12.050 -8.636
16 H LYS 2 HN LYS 2 19.148 10.312 -3.444
17 HA LYS 2 HA LYS 2 20.486 8.946 -2.125
18 HB2 LYS 2 HB2 LYS 2 22.127 8.535 -4.653
19 HB3 LYS 2 HB1 LYS 2 21.979 7.433 -3.263
20 HG2 LYS 2 HG2 LYS 2 19.518 7.245 -3.736
21 HG3 LYS 2 HG1 LYS 2 19.764 8.224 -5.202
22 HD2 LYS 2 HD2 LYS 2 21.314 6.552 -6.105
23 HD3 LYS 2 HD1 LYS 2 21.187 5.592 -4.610
24 HE2 LYS 2 HE2 LYS 2 18.750 5.303 -5.017
25 HE3 LYS 2 HE1 LYS 2 18.903 6.225 -6.532
26 HZ1 LYS 2 HZ1 LYS 2 20.853 4.170 -6.423
27 HZ2 LYS 2 HZ2 LYS 2 19.620 4.416 -7.565
28 HZ3 LYS 2 HZ3 LYS 2 19.314 3.508 -6.162
29 H LEU 3 HN LEU 3 21.024 11.549 -1.732
30 HA LEU 3 HA LEU 3 23.816 12.218 -2.122
31 HB2 LEU 3 HB2 LEU 3 21.612 13.251 -0.301
32 HB3 LEU 3 HB1 LEU 3 23.273 13.877 -0.193
33 HG LEU 3 HG LEU 3 23.213 14.547 -2.554
34 HD11 LEU 3 HD11 LEU 3 21.843 12.912 -3.613
35 HD12 LEU 3 HD12 LEU 3 20.886 14.407 -3.706
36 HD13 LEU 3 HD13 LEU 3 20.496 13.176 -2.479
37 HD21 LEU 3 HD21 LEU 3 22.306 16.071 -0.770
38 HD22 LEU 3 HD22 LEU 3 20.676 15.444 -1.115
39 HD23 LEU 3 HD23 LEU 3 21.566 16.345 -2.365
40 H LEU 4 HN LEU 4 22.458 9.745 -0.460
41 HA LEU 4 HA LEU 4 23.547 9.781 2.122
42 HB2 LEU 4 HB2 LEU 4 23.555 7.323 0.338
43 HB3 LEU 4 HB1 LEU 4 23.363 7.391 2.103
44 HG LEU 4 HG LEU 4 21.392 8.381 -0.001
45 HD11 LEU 4 HD11 LEU 4 21.214 6.239 2.164
46 HD12 LEU 4 HD12 LEU 4 21.427 5.936 0.423
47 HD13 LEU 4 HD13 LEU 4 19.922 6.676 1.020
48 HD21 LEU 4 HD21 LEU 4 21.491 8.760 3.020
49 HD22 LEU 4 HD22 LEU 4 19.955 8.808 2.121
50 HD23 LEU 4 HD23 LEU 4 21.234 9.990 1.760
51 HA PRO 5 HA PRO 5 28.002 9.809 1.925
52 HB2 PRO 5 HB2 PRO 5 27.869 7.190 3.450
53 HB3 PRO 5 HB1 PRO 5 28.904 8.624 3.741
54 HG2 PRO 5 HG2 PRO 5 26.733 8.175 5.227
55 HG3 PRO 5 HG1 PRO 5 27.174 9.834 4.714
56 HD2 PRO 5 HD2 PRO 5 24.955 8.069 3.706
57 HD3 PRO 5 HD1 PRO 5 25.052 9.860 3.792
58 H ILE 6 HN ILE 6 27.926 9.403 -0.407
59 HA ILE 6 HA ILE 6 29.151 6.771 -1.072
60 HB ILE 6 HB ILE 6 26.726 7.826 -2.614
61 HG12 ILE 6 HG12 ILE 6 27.045 5.483 -0.677
62 HG13 ILE 6 HG11 ILE 6 25.995 6.899 -0.470
63 HG21 ILE 6 HG21 ILE 6 28.565 6.549 -3.894
64 HG22 ILE 6 HG22 ILE 6 26.945 5.835 -3.962
65 HG23 ILE 6 HG23 ILE 6 28.171 5.150 -2.870
66 HD11 ILE 6 HD1 ILE 6 24.509 5.231 -1.238
67 HD12 ILE 6 HD2 ILE 6 25.688 4.587 -2.404
68 HD13 ILE 6 HD3 ILE 6 24.890 6.149 -2.714
69 H VAL 7 HN VAL 7 27.894 9.869 -2.415
70 HA VAL 7 HA VAL 7 29.879 9.933 -4.497
71 HB VAL 7 HB VAL 7 28.316 12.246 -3.346
72 HG11 VAL 7 HG11 VAL 7 30.113 13.015 -4.775
73 HG12 VAL 7 HG12 VAL 7 28.609 13.120 -5.722
74 HG13 VAL 7 HG13 VAL 7 29.744 11.777 -6.000
75 HG21 VAL 7 HG21 VAL 7 26.705 11.771 -5.216
76 HG22 VAL 7 HG22 VAL 7 26.780 10.453 -4.022
77 HG23 VAL 7 HG23 VAL 7 27.618 10.288 -5.584
78 H ALA 8 HN ALA 8 29.621 10.962 -1.360
79 HA ALA 8 HA ALA 8 31.973 12.727 -1.348
80 HB1 ALA 8 HB1 ALA 8 31.581 12.755 1.124
81 HB2 ALA 8 HB2 ALA 8 30.252 11.595 0.883
82 HB3 ALA 8 HB3 ALA 8 30.155 13.221 0.167
83 H ASN 9 HN ASN 9 31.172 9.396 -0.409
84 HA ASN 9 HA ASN 9 33.439 8.714 1.086
85 HB2 ASN 9 HB2 ASN 9 31.497 7.217 0.612
86 HB3 ASN 9 HB1 ASN 9 32.117 6.985 -1.042
87 HD21 ASN 9 HD21 ASN 9 32.901 6.452 2.434
88 HD22 ASN 9 HD22 ASN 9 34.072 5.166 2.125
89 H LEU 10 HN LEU 10 33.164 9.355 -2.357
90 HA LEU 10 HA LEU 10 35.756 8.159 -3.022
91 HB2 LEU 10 HB2 LEU 10 34.234 10.216 -4.660
92 HB3 LEU 10 HB1 LEU 10 35.353 8.954 -5.228
93 HG LEU 10 HG LEU 10 32.610 8.511 -3.965
94 HD11 LEU 10 HD11 LEU 10 32.612 9.325 -6.326
95 HD12 LEU 10 HD12 LEU 10 32.012 7.655 -6.193
96 HD13 LEU 10 HD13 LEU 10 33.665 7.963 -6.776
97 HD21 LEU 10 HD21 LEU 10 33.955 6.665 -3.262
98 HD22 LEU 10 HD22 LEU 10 34.831 6.603 -4.810
99 HD23 LEU 10 HD23 LEU 10 33.131 6.081 -4.725
100 H LEU 11 HN LEU 11 34.484 11.465 -2.498
101 HA LEU 11 HA LEU 11 36.955 12.796 -3.089
102 HB2 LEU 11 HB2 LEU 11 34.896 14.049 -3.078
103 HB3 LEU 11 HB1 LEU 11 34.544 13.574 -1.403
104 HG LEU 11 HG LEU 11 36.371 14.919 -0.553
105 HD11 LEU 11 HD11 LEU 11 37.129 15.173 -3.489
106 HD12 LEU 11 HD12 LEU 11 38.130 14.599 -2.134
107 HD13 LEU 11 HD13 LEU 11 37.721 16.324 -2.267
108 HD21 LEU 11 HD21 LEU 11 34.250 16.096 -1.148
109 HD22 LEU 11 HD22 LEU 11 34.932 16.473 -2.749
110 HD23 LEU 11 HD23 LEU 11 35.670 17.159 -1.281
111 H LYS 12 HN LYS 12 35.412 12.192 0.110
112 HA LYS 12 HA LYS 12 37.545 12.995 1.727
113 HB2 LYS 12 HB2 LYS 12 35.250 12.257 2.481
114 HB3 LYS 12 HB1 LYS 12 35.788 10.574 2.272
115 HG2 LYS 12 HG2 LYS 12 37.588 10.901 3.895
116 HG3 LYS 12 HG1 LYS 12 37.181 12.627 4.044
117 HD2 LYS 12 HD2 LYS 12 35.031 12.116 5.023
118 HD3 LYS 12 HD1 LYS 12 35.221 10.382 4.669
119 HE2 LYS 12 HE2 LYS 12 37.221 10.334 6.180
120 HE3 LYS 12 HE1 LYS 12 36.913 12.038 6.592
121 HZ1 LYS 12 HZ1 LYS 12 35.899 9.981 7.950
122 HZ2 LYS 12 HZ2 LYS 12 34.641 10.234 6.836
123 HZ3 LYS 12 HZ3 LYS 12 35.145 11.498 7.854
124 H SER 13 HN SER 13 36.859 9.553 0.927
125 HA SER 13 HA SER 13 39.506 8.717 1.749
126 HB2 SER 13 HB2 SER 13 37.591 7.224 -0.076
127 HB3 SER 13 HB1 SER 13 38.865 6.541 0.959
128 HG SER 13 HG SER 13 37.566 7.756 2.682
129 H LEU 14 HN LEU 14 41.147 7.747 0.402
130 HA LEU 14 HA LEU 14 41.783 9.423 -1.875
131 HB2 LEU 14 HB2 LEU 14 43.079 6.757 -1.209
132 HB3 LEU 14 HB1 LEU 14 43.804 8.170 -2.013
133 HG LEU 14 HG LEU 14 42.883 8.030 0.893
134 HD11 LEU 14 HD11 LEU 14 45.660 8.275 -0.344
135 HD12 LEU 14 HD12 LEU 14 44.987 6.795 0.379
136 HD13 LEU 14 HD13 LEU 14 45.286 8.227 1.394
137 HD21 LEU 14 HD21 LEU 14 44.133 10.304 0.942
138 HD22 LEU 14 HD22 LEU 14 42.526 10.285 0.182
139 HD23 LEU 14 HD23 LEU 14 43.990 10.284 -0.833
140 H LEU 15 HN LEU 15 40.996 5.928 -1.569
141 HA LEU 15 HA LEU 15 40.824 5.585 -4.448
142 HB2 LEU 15 HB2 LEU 15 41.344 3.779 -2.718
143 HB3 LEU 15 HB1 LEU 15 39.621 3.817 -2.289
144 HG LEU 15 HG LEU 15 39.227 3.476 -4.891
145 HD11 LEU 15 HD11 LEU 15 42.098 2.499 -4.526
146 HD12 LEU 15 HD12 LEU 15 41.523 3.735 -5.670
147 HD13 LEU 15 HD13 LEU 15 41.051 2.035 -5.886
148 HD21 LEU 15 HD21 LEU 15 40.326 1.240 -3.128
149 HD22 LEU 15 HD22 LEU 15 39.319 1.020 -4.580
150 HD23 LEU 15 HD23 LEU 15 38.644 1.823 -3.142
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 17.255 13.479 -0.961
2 H2 LYS 1 HT2 LYS 1 16.041 12.335 -0.641
3 H3 LYS 1 HT3 LYS 1 15.772 13.571 -1.775
4 HA LYS 1 HA LYS 1 16.886 11.027 -2.132
5 HB2 LYS 1 HB2 LYS 1 15.166 12.438 -3.497
6 HB3 LYS 1 HB1 LYS 1 16.592 13.208 -4.227
7 HG2 LYS 1 HG2 LYS 1 17.440 10.908 -4.837
8 HG3 LYS 1 HG1 LYS 1 15.903 10.236 -4.241
9 HD2 LYS 1 HD2 LYS 1 14.676 11.709 -5.853
10 HD3 LYS 1 HD1 LYS 1 16.241 12.260 -6.497
11 HE2 LYS 1 HE2 LYS 1 15.437 9.326 -6.385
12 HE3 LYS 1 HE1 LYS 1 15.133 10.363 -7.798
13 HZ1 LYS 1 HZ1 LYS 1 17.702 10.889 -7.334
14 HZ2 LYS 1 HZ2 LYS 1 17.175 9.654 -8.374
15 HZ3 LYS 1 HZ3 LYS 1 17.641 9.286 -6.783
16 H LYS 2 HN LYS 2 18.742 10.507 -3.480
17 HA LYS 2 HA LYS 2 21.040 10.587 -3.810
18 HB2 LYS 2 HB2 LYS 2 20.684 13.587 -4.137
19 HB3 LYS 2 HB1 LYS 2 21.903 12.534 -4.895
20 HG2 LYS 2 HG2 LYS 2 19.932 11.291 -5.996
21 HG3 LYS 2 HG1 LYS 2 18.915 12.650 -5.457
22 HD2 LYS 2 HD2 LYS 2 20.522 14.215 -6.638
23 HD3 LYS 2 HD1 LYS 2 21.325 12.778 -7.316
24 HE2 LYS 2 HE2 LYS 2 19.737 13.509 -8.969
25 HE3 LYS 2 HE1 LYS 2 19.035 12.065 -8.204
26 HZ1 LYS 2 HZ1 LYS 2 17.624 13.404 -6.883
27 HZ2 LYS 2 HZ2 LYS 2 17.502 14.016 -8.463
28 HZ3 LYS 2 HZ3 LYS 2 18.436 14.834 -7.302
29 H LEU 3 HN LEU 3 22.943 12.578 -3.288
30 HA LEU 3 HA LEU 3 24.315 13.247 -1.545
31 HB2 LEU 3 HB2 LEU 3 21.821 13.517 0.172
32 HB3 LEU 3 HB1 LEU 3 23.340 14.437 0.274
33 HG LEU 3 HG LEU 3 21.278 14.561 -1.971
34 HD11 LEU 3 HD11 LEU 3 20.988 16.877 -1.214
35 HD12 LEU 3 HD12 LEU 3 22.258 16.661 0.014
36 HD13 LEU 3 HD13 LEU 3 20.724 15.768 0.152
37 HD21 LEU 3 HD21 LEU 3 24.066 15.758 -1.682
38 HD22 LEU 3 HD22 LEU 3 22.837 16.479 -2.751
39 HD23 LEU 3 HD23 LEU 3 23.404 14.818 -3.042
40 H LEU 4 HN LEU 4 22.703 10.440 -1.683
41 HA LEU 4 HA LEU 4 22.729 9.278 0.874
42 HB2 LEU 4 HB2 LEU 4 23.059 8.316 -1.944
43 HB3 LEU 4 HB1 LEU 4 23.643 7.190 -0.703
44 HG LEU 4 HG LEU 4 21.418 7.352 0.443
45 HD11 LEU 4 HD11 LEU 4 20.812 9.110 -1.968
46 HD12 LEU 4 HD12 LEU 4 20.657 9.530 -0.246
47 HD13 LEU 4 HD13 LEU 4 19.542 8.352 -0.979
48 HD21 LEU 4 HD21 LEU 4 21.939 5.580 -1.262
49 HD22 LEU 4 HD22 LEU 4 21.223 6.623 -2.515
50 HD23 LEU 4 HD23 LEU 4 20.208 5.991 -1.195
51 HA PRO 5 HA PRO 5 26.919 9.148 2.239
52 HB2 PRO 5 HB2 PRO 5 27.119 6.667 3.454
53 HB3 PRO 5 HB1 PRO 5 26.217 8.044 4.165
54 HG2 PRO 5 HG2 PRO 5 25.175 5.706 2.579
55 HG3 PRO 5 HG1 PRO 5 24.525 6.444 4.077
56 HD2 PRO 5 HD2 PRO 5 23.464 7.010 1.630
57 HD3 PRO 5 HD1 PRO 5 23.553 8.249 2.926
58 H ILE 6 HN ILE 6 27.621 9.160 -0.051
59 HA ILE 6 HA ILE 6 29.347 6.822 -0.579
60 HB ILE 6 HB ILE 6 28.457 6.892 -3.083
61 HG12 ILE 6 HG12 ILE 6 25.998 7.809 -1.522
62 HG13 ILE 6 HG11 ILE 6 26.913 8.811 -2.670
63 HG21 ILE 6 HG21 ILE 6 28.296 4.947 -1.443
64 HG22 ILE 6 HG22 ILE 6 26.988 5.024 -2.639
65 HG23 ILE 6 HG23 ILE 6 26.699 5.570 -0.971
66 HD11 ILE 6 HD1 ILE 6 25.152 7.989 -4.002
67 HD12 ILE 6 HD2 ILE 6 25.172 6.392 -3.223
68 HD13 ILE 6 HD3 ILE 6 26.463 6.842 -4.364
69 H VAL 7 HN VAL 7 28.027 9.908 -1.809
70 HA VAL 7 HA VAL 7 30.102 10.630 -3.511
71 HB VAL 7 HB VAL 7 28.718 12.519 -1.602
72 HG11 VAL 7 HG11 VAL 7 29.035 14.125 -3.532
73 HG12 VAL 7 HG12 VAL 7 30.010 12.878 -4.345
74 HG13 VAL 7 HG13 VAL 7 30.560 13.574 -2.801
75 HG21 VAL 7 HG21 VAL 7 27.067 12.791 -3.511
76 HG22 VAL 7 HG22 VAL 7 27.015 11.196 -2.725
77 HG23 VAL 7 HG23 VAL 7 27.832 11.387 -4.294
78 H ALA 8 HN ALA 8 29.934 10.552 -0.204
79 HA ALA 8 HA ALA 8 32.144 12.185 0.558
80 HB1 ALA 8 HB1 ALA 8 32.107 10.967 2.668
81 HB2 ALA 8 HB2 ALA 8 31.145 9.664 1.927
82 HB3 ALA 8 HB3 ALA 8 30.441 11.287 2.130
83 H ASN 9 HN ASN 9 31.952 8.750 -0.380
84 HA ASN 9 HA ASN 9 34.712 8.163 0.212
85 HB2 ASN 9 HB2 ASN 9 33.006 6.406 -0.072
86 HB3 ASN 9 HB1 ASN 9 32.813 6.861 -1.782
87 HD21 ASN 9 HD21 ASN 9 35.358 5.790 0.578
88 HD22 ASN 9 HD22 ASN 9 36.298 4.909 -0.630
89 H LEU 10 HN LEU 10 33.026 9.586 -2.537
90 HA LEU 10 HA LEU 10 35.287 9.323 -4.366
91 HB2 LEU 10 HB2 LEU 10 32.668 10.857 -4.380
92 HB3 LEU 10 HB1 LEU 10 33.892 11.141 -5.639
93 HG LEU 10 HG LEU 10 33.883 8.708 -6.180
94 HD11 LEU 10 HD11 LEU 10 31.869 7.400 -5.219
95 HD12 LEU 10 HD12 LEU 10 31.785 8.670 -3.974
96 HD13 LEU 10 HD13 LEU 10 33.246 7.664 -4.127
97 HD21 LEU 10 HD21 LEU 10 31.113 9.991 -6.180
98 HD22 LEU 10 HD22 LEU 10 31.661 8.682 -7.254
99 HD23 LEU 10 HD23 LEU 10 32.391 10.302 -7.379
100 H LEU 11 HN LEU 11 34.141 11.731 -2.029
101 HA LEU 11 HA LEU 11 35.592 13.978 -2.893
102 HB2 LEU 11 HB2 LEU 11 34.027 14.126 -1.046
103 HB3 LEU 11 HB1 LEU 11 34.989 12.991 -0.077
104 HG LEU 11 HG LEU 11 36.811 14.596 0.118
105 HD11 LEU 11 HD11 LEU 11 35.187 16.164 -1.923
106 HD12 LEU 11 HD12 LEU 11 36.905 15.700 -1.987
107 HD13 LEU 11 HD13 LEU 11 36.370 16.971 -0.867
108 HD21 LEU 11 HD21 LEU 11 35.640 16.414 1.329
109 HD22 LEU 11 HD22 LEU 11 34.909 14.830 1.685
110 HD23 LEU 11 HD23 LEU 11 34.109 15.947 0.552
111 H LYS 12 HN LYS 12 36.661 11.335 -0.711
112 HA LYS 12 HA LYS 12 39.362 11.431 -1.740
113 HB2 LYS 12 HB2 LYS 12 39.345 13.533 -0.363
114 HB3 LYS 12 HB1 LYS 12 38.995 12.537 1.071
115 HG2 LYS 12 HG2 LYS 12 41.074 11.283 0.759
116 HG3 LYS 12 HG1 LYS 12 41.409 12.159 -0.754
117 HD2 LYS 12 HD2 LYS 12 41.491 14.297 0.518
118 HD3 LYS 12 HD1 LYS 12 41.208 13.396 2.027
119 HE2 LYS 12 HE2 LYS 12 43.614 13.818 1.742
120 HE3 LYS 12 HE1 LYS 12 43.282 12.076 1.604
121 HZ1 LYS 12 HZ1 LYS 12 43.913 12.063 -0.524
122 HZ2 LYS 12 HZ2 LYS 12 44.641 13.564 -0.208
123 HZ3 LYS 12 HZ3 LYS 12 43.089 13.497 -0.897
124 H SER 13 HN SER 13 38.128 10.977 1.597
125 HA SER 13 HA SER 13 37.910 8.106 1.348
126 HB2 SER 13 HB2 SER 13 40.274 7.962 1.268
127 HB3 SER 13 HB1 SER 13 40.480 9.264 2.460
128 HG SER 13 HG SER 13 40.158 6.601 2.838
129 H LEU 14 HN LEU 14 37.465 7.057 3.425
130 HA LEU 14 HA LEU 14 35.737 8.679 5.045
131 HB2 LEU 14 HB2 LEU 14 36.919 5.898 5.336
132 HB3 LEU 14 HB1 LEU 14 35.907 6.602 6.619
133 HG LEU 14 HG LEU 14 34.081 6.961 4.973
134 HD11 LEU 14 HD11 LEU 14 36.121 5.728 3.080
135 HD12 LEU 14 HD12 LEU 14 35.203 7.243 2.889
136 HD13 LEU 14 HD13 LEU 14 34.374 5.679 2.737
137 HD21 LEU 14 HD21 LEU 14 35.114 4.095 4.866
138 HD22 LEU 14 HD22 LEU 14 33.419 4.636 4.794
139 HD23 LEU 14 HD23 LEU 14 34.347 4.812 6.303
140 H LEU 15 HN LEU 15 36.000 8.601 7.555
141 HA LEU 15 HA LEU 15 38.338 10.220 8.146
142 HB2 LEU 15 HB2 LEU 15 36.519 8.945 10.216
143 HB3 LEU 15 HB1 LEU 15 37.392 10.495 10.303
144 HG LEU 15 HG LEU 15 35.027 9.829 8.494
145 HD11 LEU 15 HD11 LEU 15 33.926 11.632 9.813
146 HD12 LEU 15 HD12 LEU 15 35.389 11.776 10.816
147 HD13 LEU 15 HD13 LEU 15 34.433 10.275 10.845
148 HD21 LEU 15 HD21 LEU 15 35.232 12.347 7.957
149 HD22 LEU 15 HD22 LEU 15 36.446 11.281 7.216
150 HD23 LEU 15 HD23 LEU 15 36.870 12.251 8.646
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 16.349 8.195 1.427
2 H2 LYS 1 HT2 LYS 1 15.649 9.053 2.716
3 H3 LYS 1 HT3 LYS 1 17.178 8.334 2.898
4 HA LYS 1 HA LYS 1 16.506 10.540 1.059
5 HB2 LYS 1 HB2 LYS 1 18.045 11.826 2.609
6 HB3 LYS 1 HB1 LYS 1 16.484 11.359 3.324
7 HG2 LYS 1 HG2 LYS 1 17.541 9.407 4.401
8 HG3 LYS 1 HG1 LYS 1 19.103 9.833 3.662
9 HD2 LYS 1 HD2 LYS 1 18.995 12.054 4.840
10 HD3 LYS 1 HD1 LYS 1 17.521 11.494 5.669
11 HE2 LYS 1 HE2 LYS 1 20.206 10.054 5.775
12 HE3 LYS 1 HE1 LYS 1 19.611 11.166 7.032
13 HZ1 LYS 1 HZ1 LYS 1 19.004 9.022 7.729
14 HZ2 LYS 1 HZ2 LYS 1 18.458 8.564 6.186
15 HZ3 LYS 1 HZ3 LYS 1 17.576 9.691 7.104
16 H LYS 2 HN LYS 2 18.093 11.162 -0.333
17 HA LYS 2 HA LYS 2 20.188 9.183 -0.875
18 HB2 LYS 2 HB2 LYS 2 19.868 11.924 -2.145
19 HB3 LYS 2 HB1 LYS 2 20.640 10.473 -2.831
20 HG2 LYS 2 HG2 LYS 2 18.419 9.307 -2.749
21 HG3 LYS 2 HG1 LYS 2 17.679 10.830 -2.199
22 HD2 LYS 2 HD2 LYS 2 18.405 11.959 -4.262
23 HD3 LYS 2 HD1 LYS 2 19.217 10.471 -4.809
24 HE2 LYS 2 HE2 LYS 2 16.972 9.297 -4.658
25 HE3 LYS 2 HE1 LYS 2 16.232 10.889 -4.365
26 HZ1 LYS 2 HZ1 LYS 2 17.763 10.031 -6.767
27 HZ2 LYS 2 HZ2 LYS 2 17.288 11.634 -6.472
28 HZ3 LYS 2 HZ3 LYS 2 16.116 10.423 -6.685
29 H LEU 3 HN LEU 3 22.028 11.315 -1.880
30 HA LEU 3 HA LEU 3 24.006 12.241 -1.108
31 HB2 LEU 3 HB2 LEU 3 22.029 13.142 1.017
32 HB3 LEU 3 HB1 LEU 3 23.752 13.559 1.143
33 HG LEU 3 HG LEU 3 23.651 14.589 -1.126
34 HD11 LEU 3 HD11 LEU 3 20.733 13.748 -0.896
35 HD12 LEU 3 HD12 LEU 3 21.883 13.391 -2.209
36 HD13 LEU 3 HD13 LEU 3 21.263 15.043 -1.995
37 HD21 LEU 3 HD21 LEU 3 22.460 16.587 -0.437
38 HD22 LEU 3 HD22 LEU 3 23.197 15.873 1.018
39 HD23 LEU 3 HD23 LEU 3 21.458 15.658 0.704
40 H LEU 4 HN LEU 4 22.710 9.538 0.032
41 HA LEU 4 HA LEU 4 23.835 8.980 2.538
42 HB2 LEU 4 HB2 LEU 4 23.685 7.132 0.126
43 HB3 LEU 4 HB1 LEU 4 23.840 6.611 1.814
44 HG LEU 4 HG LEU 4 21.527 8.381 0.915
45 HD11 LEU 4 HD11 LEU 4 21.637 5.333 0.916
46 HD12 LEU 4 HD12 LEU 4 21.507 6.375 -0.521
47 HD13 LEU 4 HD13 LEU 4 20.176 6.316 0.659
48 HD21 LEU 4 HD21 LEU 4 22.005 6.465 3.247
49 HD22 LEU 4 HD22 LEU 4 20.420 7.176 2.869
50 HD23 LEU 4 HD23 LEU 4 21.776 8.227 3.325
51 HA PRO 5 HA PRO 5 28.288 9.098 2.332
52 HB2 PRO 5 HB2 PRO 5 28.175 6.176 3.143
53 HB3 PRO 5 HB1 PRO 5 29.218 7.492 3.775
54 HG2 PRO 5 HG2 PRO 5 27.067 6.691 5.129
55 HG3 PRO 5 HG1 PRO 5 27.496 8.428 5.027
56 HD2 PRO 5 HD2 PRO 5 25.273 6.942 3.643
57 HD3 PRO 5 HD1 PRO 5 25.359 8.656 4.164
58 H ILE 6 HN ILE 6 28.097 9.275 -0.051
59 HA ILE 6 HA ILE 6 29.485 6.998 -1.357
60 HB ILE 6 HB ILE 6 26.938 8.126 -2.611
61 HG12 ILE 6 HG12 ILE 6 27.398 5.514 -1.093
62 HG13 ILE 6 HG11 ILE 6 26.275 6.817 -0.652
63 HG21 ILE 6 HG21 ILE 6 27.262 6.427 -4.279
64 HG22 ILE 6 HG22 ILE 6 28.510 5.610 -3.311
65 HG23 ILE 6 HG23 ILE 6 28.853 7.184 -4.062
66 HD11 ILE 6 HD1 ILE 6 25.192 6.402 -2.988
67 HD12 ILE 6 HD2 ILE 6 24.881 5.216 -1.697
68 HD13 ILE 6 HD3 ILE 6 26.083 4.861 -2.959
69 H VAL 7 HN VAL 7 27.802 10.121 -1.974
70 HA VAL 7 HA VAL 7 29.441 10.938 -4.106
71 HB VAL 7 HB VAL 7 28.202 12.716 -2.000
72 HG11 VAL 7 HG11 VAL 7 29.729 13.983 -3.378
73 HG12 VAL 7 HG12 VAL 7 28.092 14.325 -3.984
74 HG13 VAL 7 HG13 VAL 7 29.147 13.190 -4.860
75 HG21 VAL 7 HG21 VAL 7 26.213 12.766 -3.399
76 HG22 VAL 7 HG22 VAL 7 26.620 11.059 -3.095
77 HG23 VAL 7 HG23 VAL 7 27.018 11.805 -4.662
78 H ALA 8 HN ALA 8 29.857 10.934 -0.821
79 HA ALA 8 HA ALA 8 32.176 12.705 -0.686
80 HB1 ALA 8 HB1 ALA 8 30.702 12.392 1.249
81 HB2 ALA 8 HB2 ALA 8 32.365 11.891 1.637
82 HB3 ALA 8 HB3 ALA 8 31.120 10.664 1.303
83 H ASN 9 HN ASN 9 31.624 9.185 -0.791
84 HA ASN 9 HA ASN 9 34.231 8.281 -0.273
85 HB2 ASN 9 HB2 ASN 9 32.198 6.850 -0.646
86 HB3 ASN 9 HB1 ASN 9 32.356 7.159 -2.392
87 HD21 ASN 9 HD21 ASN 9 33.135 4.903 -0.041
88 HD22 ASN 9 HD22 ASN 9 34.567 4.202 -0.801
89 H LEU 10 HN LEU 10 32.937 9.902 -3.108
90 HA LEU 10 HA LEU 10 35.016 9.176 -4.946
91 HB2 LEU 10 HB2 LEU 10 32.765 10.280 -5.465
92 HB3 LEU 10 HB1 LEU 10 33.488 11.802 -4.900
93 HG LEU 10 HG LEU 10 35.437 11.189 -6.614
94 HD11 LEU 10 HD11 LEU 10 34.503 10.030 -8.641
95 HD12 LEU 10 HD12 LEU 10 33.061 9.600 -7.694
96 HD13 LEU 10 HD13 LEU 10 34.654 8.952 -7.236
97 HD21 LEU 10 HD21 LEU 10 34.215 12.403 -8.403
98 HD22 LEU 10 HD22 LEU 10 33.952 13.155 -6.811
99 HD23 LEU 10 HD23 LEU 10 32.685 12.136 -7.536
100 H LEU 11 HN LEU 11 34.715 11.713 -2.486
101 HA LEU 11 HA LEU 11 37.063 13.178 -3.330
102 HB2 LEU 11 HB2 LEU 11 35.906 13.080 -0.521
103 HB3 LEU 11 HB1 LEU 11 36.830 14.395 -1.280
104 HG LEU 11 HG LEU 11 34.079 13.427 -2.189
105 HD11 LEU 11 HD11 LEU 11 34.061 14.573 0.022
106 HD12 LEU 11 HD12 LEU 11 33.265 15.548 -1.237
107 HD13 LEU 11 HD13 LEU 11 34.913 15.958 -0.702
108 HD21 LEU 11 HD21 LEU 11 35.181 14.351 -4.096
109 HD22 LEU 11 HD22 LEU 11 35.976 15.618 -3.131
110 HD23 LEU 11 HD23 LEU 11 34.226 15.701 -3.446
111 H LYS 12 HN LYS 12 36.730 11.536 -0.161
112 HA LYS 12 HA LYS 12 38.866 9.679 -0.542
113 HB2 LYS 12 HB2 LYS 12 40.578 10.896 0.939
114 HB3 LYS 12 HB1 LYS 12 40.419 11.486 -0.731
115 HG2 LYS 12 HG2 LYS 12 38.928 13.294 0.021
116 HG3 LYS 12 HG1 LYS 12 39.014 12.689 1.693
117 HD2 LYS 12 HD2 LYS 12 41.432 13.109 1.757
118 HD3 LYS 12 HD1 LYS 12 41.409 13.628 0.054
119 HE2 LYS 12 HE2 LYS 12 41.381 15.613 1.470
120 HE3 LYS 12 HE1 LYS 12 39.789 15.448 0.693
121 HZ1 LYS 12 HZ1 LYS 12 38.885 15.405 2.701
122 HZ2 LYS 12 HZ2 LYS 12 40.411 15.485 3.442
123 HZ3 LYS 12 HZ3 LYS 12 39.726 13.978 3.064
124 H SER 13 HN SER 13 36.206 10.213 0.761
125 HA SER 13 HA SER 13 35.127 9.649 2.737
126 HB2 SER 13 HB2 SER 13 37.663 8.051 3.266
127 HB3 SER 13 HB1 SER 13 36.074 7.799 4.022
128 HG SER 13 HG SER 13 35.475 6.757 2.297
129 H LEU 14 HN LEU 14 35.347 11.904 3.403
130 HA LEU 14 HA LEU 14 35.937 13.543 4.939
131 HB2 LEU 14 HB2 LEU 14 36.237 10.978 6.536
132 HB3 LEU 14 HB1 LEU 14 36.566 12.559 7.282
133 HG LEU 14 HG LEU 14 34.285 13.323 6.627
134 HD11 LEU 14 HD11 LEU 14 34.130 10.491 5.523
135 HD12 LEU 14 HD12 LEU 14 33.769 12.023 4.693
136 HD13 LEU 14 HD13 LEU 14 32.670 11.416 5.951
137 HD21 LEU 14 HD21 LEU 14 34.311 10.685 8.165
138 HD22 LEU 14 HD22 LEU 14 33.069 11.955 8.278
139 HD23 LEU 14 HD23 LEU 14 34.725 12.275 8.850
140 H LEU 15 HN LEU 15 37.795 13.979 6.780
141 HA LEU 15 HA LEU 15 40.197 14.314 5.220
142 HB2 LEU 15 HB2 LEU 15 39.486 14.698 8.148
143 HB3 LEU 15 HB1 LEU 15 41.150 14.945 7.568
144 HG LEU 15 HG LEU 15 40.415 16.660 6.004
145 HD11 LEU 15 HD11 LEU 15 37.631 15.799 6.889
146 HD12 LEU 15 HD12 LEU 15 38.293 15.868 5.237
147 HD13 LEU 15 HD13 LEU 15 37.933 17.372 6.113
148 HD21 LEU 15 HD21 LEU 15 39.631 18.350 7.590
149 HD22 LEU 15 HD22 LEU 15 40.785 17.274 8.415
150 HD23 LEU 15 HD23 LEU 15 39.038 17.086 8.693
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 18.264 11.292 -7.145
2 H2 LYS 1 HT2 LYS 1 18.458 12.923 -7.579
3 H3 LYS 1 HT3 LYS 1 17.079 12.426 -6.719
4 HA LYS 1 HA LYS 1 19.422 13.410 -5.706
5 HB2 LYS 1 HB2 LYS 1 17.099 11.938 -4.399
6 HB3 LYS 1 HB1 LYS 1 18.305 12.919 -3.530
7 HG2 LYS 1 HG2 LYS 1 17.653 14.913 -4.785
8 HG3 LYS 1 HG1 LYS 1 16.530 13.958 -5.783
9 HD2 LYS 1 HD2 LYS 1 15.255 13.357 -3.716
10 HD3 LYS 1 HD1 LYS 1 16.339 14.408 -2.772
11 HE2 LYS 1 HE2 LYS 1 15.662 16.352 -4.141
12 HE3 LYS 1 HE1 LYS 1 14.591 15.308 -5.106
13 HZ1 LYS 1 HZ1 LYS 1 13.569 16.603 -3.180
14 HZ2 LYS 1 HZ2 LYS 1 14.341 15.488 -2.158
15 HZ3 LYS 1 HZ3 LYS 1 13.194 14.953 -3.292
16 H LYS 2 HN LYS 2 21.063 12.599 -4.431
17 HA LYS 2 HA LYS 2 21.195 9.804 -3.671
18 HB2 LYS 2 HB2 LYS 2 21.642 9.849 -6.244
19 HB3 LYS 2 HB1 LYS 2 23.205 10.579 -5.815
20 HG2 LYS 2 HG2 LYS 2 23.640 8.624 -4.287
21 HG3 LYS 2 HG1 LYS 2 22.127 7.885 -4.864
22 HD2 LYS 2 HD2 LYS 2 23.052 8.089 -7.229
23 HD3 LYS 2 HD1 LYS 2 24.610 8.547 -6.500
24 HE2 LYS 2 HE2 LYS 2 23.091 5.963 -5.932
25 HE3 LYS 2 HE1 LYS 2 24.510 6.111 -6.995
26 HZ1 LYS 2 HZ1 LYS 2 24.594 7.032 -4.182
27 HZ2 LYS 2 HZ2 LYS 2 25.885 6.626 -5.210
28 HZ3 LYS 2 HZ3 LYS 2 24.882 5.408 -4.579
29 H LEU 3 HN LEU 3 21.409 12.228 -2.314
30 HA LEU 3 HA LEU 3 24.214 12.925 -1.940
31 HB2 LEU 3 HB2 LEU 3 21.964 13.384 0.056
32 HB3 LEU 3 HB1 LEU 3 23.443 14.343 -0.182
33 HG LEU 3 HG LEU 3 21.163 14.067 -2.193
34 HD11 LEU 3 HD11 LEU 3 20.660 15.418 -0.126
35 HD12 LEU 3 HD12 LEU 3 20.645 16.378 -1.624
36 HD13 LEU 3 HD13 LEU 3 22.044 16.463 -0.526
37 HD21 LEU 3 HD21 LEU 3 23.823 15.553 -2.220
38 HD22 LEU 3 HD22 LEU 3 22.461 16.037 -3.259
39 HD23 LEU 3 HD23 LEU 3 23.182 14.421 -3.434
40 H LEU 4 HN LEU 4 22.725 10.102 -1.463
41 HA LEU 4 HA LEU 4 23.118 9.301 1.191
42 HB2 LEU 4 HB2 LEU 4 23.816 7.695 -1.305
43 HB3 LEU 4 HB1 LEU 4 23.440 7.023 0.294
44 HG LEU 4 HG LEU 4 21.501 8.778 -1.277
45 HD11 LEU 4 HD11 LEU 4 20.369 6.690 -1.936
46 HD12 LEU 4 HD12 LEU 4 21.625 5.735 -1.112
47 HD13 LEU 4 HD13 LEU 4 22.042 6.707 -2.543
48 HD21 LEU 4 HD21 LEU 4 21.295 7.025 1.210
49 HD22 LEU 4 HD22 LEU 4 19.858 7.490 0.271
50 HD23 LEU 4 HD23 LEU 4 20.865 8.741 1.029
51 HA PRO 5 HA PRO 5 27.467 9.731 1.949
52 HB2 PRO 5 HB2 PRO 5 27.964 7.599 3.677
53 HB3 PRO 5 HB1 PRO 5 27.173 9.129 4.171
54 HG2 PRO 5 HG2 PRO 5 25.921 6.493 3.430
55 HG3 PRO 5 HG1 PRO 5 25.515 7.611 4.772
56 HD2 PRO 5 HD2 PRO 5 24.040 7.551 2.494
57 HD3 PRO 5 HD1 PRO 5 24.343 9.089 3.364
58 H ILE 6 HN ILE 6 27.715 9.158 -0.388
59 HA ILE 6 HA ILE 6 29.485 6.777 -0.617
60 HB ILE 6 HB ILE 6 27.261 7.224 -2.659
61 HG12 ILE 6 HG12 ILE 6 27.372 5.317 -0.275
62 HG13 ILE 6 HG11 ILE 6 26.173 6.600 -0.565
63 HG21 ILE 6 HG21 ILE 6 27.968 5.108 -3.542
64 HG22 ILE 6 HG22 ILE 6 28.963 4.757 -2.108
65 HG23 ILE 6 HG23 ILE 6 29.462 6.026 -3.251
66 HD11 ILE 6 HD1 ILE 6 25.070 4.616 -1.259
67 HD12 ILE 6 HD2 ILE 6 26.529 3.975 -2.047
68 HD13 ILE 6 HD3 ILE 6 25.647 5.337 -2.780
69 H VAL 7 HN VAL 7 27.956 9.617 -2.192
70 HA VAL 7 HA VAL 7 30.041 9.861 -4.169
71 HB VAL 7 HB VAL 7 28.166 12.010 -3.172
72 HG11 VAL 7 HG11 VAL 7 29.972 12.894 -4.552
73 HG12 VAL 7 HG12 VAL 7 28.484 12.874 -5.528
74 HG13 VAL 7 HG13 VAL 7 29.724 11.619 -5.768
75 HG21 VAL 7 HG21 VAL 7 26.939 9.956 -3.874
76 HG22 VAL 7 HG22 VAL 7 27.782 10.001 -5.441
77 HG23 VAL 7 HG23 VAL 7 26.657 11.307 -4.998
78 H ALA 8 HN ALA 8 29.470 10.906 -1.078
79 HA ALA 8 HA ALA 8 31.611 12.920 -0.961
80 HB1 ALA 8 HB1 ALA 8 30.121 11.644 1.352
81 HB2 ALA 8 HB2 ALA 8 29.476 13.000 0.394
82 HB3 ALA 8 HB3 ALA 8 30.976 13.204 1.331
83 H ASN 9 HN ASN 9 31.188 9.504 -0.278
84 HA ASN 9 HA ASN 9 33.465 9.165 1.438
85 HB2 ASN 9 HB2 ASN 9 32.049 7.258 -0.461
86 HB3 ASN 9 HB1 ASN 9 33.328 6.762 0.675
87 HD21 ASN 9 HD21 ASN 9 31.108 9.379 1.570
88 HD22 ASN 9 HD22 ASN 9 30.207 8.440 2.764
89 H LEU 10 HN LEU 10 33.048 9.082 -2.102
90 HA LEU 10 HA LEU 10 35.728 8.193 -2.663
91 HB2 LEU 10 HB2 LEU 10 33.716 8.167 -4.236
92 HB3 LEU 10 HB1 LEU 10 33.965 9.913 -4.440
93 HG LEU 10 HG LEU 10 36.453 9.253 -5.033
94 HD11 LEU 10 HD11 LEU 10 34.974 6.609 -5.428
95 HD12 LEU 10 HD12 LEU 10 36.431 6.897 -4.449
96 HD13 LEU 10 HD13 LEU 10 36.516 7.001 -6.219
97 HD21 LEU 10 HD21 LEU 10 34.143 8.588 -6.915
98 HD22 LEU 10 HD22 LEU 10 35.815 8.948 -7.410
99 HD23 LEU 10 HD23 LEU 10 34.824 10.208 -6.637
100 H LEU 11 HN LEU 11 34.276 11.322 -1.975
101 HA LEU 11 HA LEU 11 36.303 13.008 -3.029
102 HB2 LEU 11 HB2 LEU 11 34.052 13.695 -2.059
103 HB3 LEU 11 HB1 LEU 11 34.760 13.454 -0.448
104 HG LEU 11 HG LEU 11 36.659 15.080 -1.282
105 HD11 LEU 11 HD11 LEU 11 35.716 16.800 -2.910
106 HD12 LEU 11 HD12 LEU 11 34.425 15.639 -3.288
107 HD13 LEU 11 HD13 LEU 11 36.120 15.233 -3.640
108 HD21 LEU 11 HD21 LEU 11 33.828 16.105 -0.781
109 HD22 LEU 11 HD22 LEU 11 35.327 17.039 -0.565
110 HD23 LEU 11 HD23 LEU 11 34.998 15.631 0.473
111 H LYS 12 HN LYS 12 35.893 12.171 0.443
112 HA LYS 12 HA LYS 12 38.517 12.989 1.182
113 HB2 LYS 12 HB2 LYS 12 36.516 12.506 2.705
114 HB3 LYS 12 HB1 LYS 12 36.912 10.784 2.525
115 HG2 LYS 12 HG2 LYS 12 38.117 11.297 4.471
116 HG3 LYS 12 HG1 LYS 12 39.364 11.576 3.235
117 HD2 LYS 12 HD2 LYS 12 38.868 13.999 3.260
118 HD3 LYS 12 HD1 LYS 12 37.565 13.733 4.442
119 HE2 LYS 12 HE2 LYS 12 39.632 14.484 5.570
120 HE3 LYS 12 HE1 LYS 12 39.216 12.823 6.052
121 HZ1 LYS 12 HZ1 LYS 12 41.622 13.592 5.126
122 HZ2 LYS 12 HZ2 LYS 12 40.896 13.018 3.701
123 HZ3 LYS 12 HZ3 LYS 12 41.033 12.003 5.059
124 H SER 13 HN SER 13 37.306 9.608 0.962
125 HA SER 13 HA SER 13 39.938 8.466 0.991
126 HB2 SER 13 HB2 SER 13 37.462 7.229 -0.258
127 HB3 SER 13 HB1 SER 13 38.862 6.394 0.452
128 HG SER 13 HG SER 13 37.648 8.210 2.129
129 H LEU 14 HN LEU 14 41.472 8.565 -0.500
130 HA LEU 14 HA LEU 14 41.110 9.676 -3.088
131 HB2 LEU 14 HB2 LEU 14 43.259 7.640 -2.404
132 HB3 LEU 14 HB1 LEU 14 43.351 9.009 -3.536
133 HG LEU 14 HG LEU 14 43.178 9.147 -0.494
134 HD11 LEU 14 HD11 LEU 14 45.401 8.618 -1.549
135 HD12 LEU 14 HD12 LEU 14 45.383 10.168 -0.672
136 HD13 LEU 14 HD13 LEU 14 45.290 10.148 -2.450
137 HD21 LEU 14 HD21 LEU 14 43.459 11.675 -0.973
138 HD22 LEU 14 HD22 LEU 14 41.849 10.984 -1.272
139 HD23 LEU 14 HD23 LEU 14 42.947 11.303 -2.636
140 H LEU 15 HN LEU 15 41.316 6.250 -2.051
141 HA LEU 15 HA LEU 15 41.053 5.107 -4.636
142 HB2 LEU 15 HB2 LEU 15 41.711 3.733 -2.771
143 HB3 LEU 15 HB1 LEU 15 40.226 4.124 -1.878
144 HG LEU 15 HG LEU 15 38.864 2.856 -3.431
145 HD11 LEU 15 HD11 LEU 15 39.807 3.340 -5.571
146 HD12 LEU 15 HD12 LEU 15 40.086 1.598 -5.341
147 HD13 LEU 15 HD13 LEU 15 41.416 2.754 -5.087
148 HD21 LEU 15 HD21 LEU 15 41.418 1.272 -2.912
149 HD22 LEU 15 HD22 LEU 15 39.773 0.619 -3.105
150 HD23 LEU 15 HD23 LEU 15 40.177 1.605 -1.679
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 16.705 12.693 -3.821
2 H2 LYS 1 HT2 LYS 1 16.153 13.144 -2.278
3 H3 LYS 1 HT3 LYS 1 16.693 11.558 -2.563
4 HA LYS 1 HA LYS 1 18.550 13.701 -3.135
5 HB2 LYS 1 HB2 LYS 1 19.222 13.712 -0.693
6 HB3 LYS 1 HB1 LYS 1 17.677 14.524 -1.045
7 HG2 LYS 1 HG2 LYS 1 16.422 12.549 -0.338
8 HG3 LYS 1 HG1 LYS 1 17.933 11.635 -0.103
9 HD2 LYS 1 HD2 LYS 1 18.637 13.264 1.638
10 HD3 LYS 1 HD1 LYS 1 17.107 14.146 1.420
11 HE2 LYS 1 HE2 LYS 1 17.244 11.195 2.159
12 HE3 LYS 1 HE1 LYS 1 17.126 12.501 3.362
13 HZ1 LYS 1 HZ1 LYS 1 15.182 13.111 1.562
14 HZ2 LYS 1 HZ2 LYS 1 14.939 12.329 3.051
15 HZ3 LYS 1 HZ3 LYS 1 15.104 11.418 1.626
16 H LYS 2 HN LYS 2 20.708 12.949 -2.000
17 HA LYS 2 HA LYS 2 21.038 10.107 -1.584
18 HB2 LYS 2 HB2 LYS 2 22.279 9.547 -3.612
19 HB3 LYS 2 HB1 LYS 2 20.638 10.084 -4.046
20 HG2 LYS 2 HG2 LYS 2 21.645 12.434 -4.349
21 HG3 LYS 2 HG1 LYS 2 23.240 11.652 -4.251
22 HD2 LYS 2 HD2 LYS 2 21.041 11.055 -6.280
23 HD3 LYS 2 HD1 LYS 2 22.591 11.865 -6.602
24 HE2 LYS 2 HE2 LYS 2 23.000 9.638 -7.285
25 HE3 LYS 2 HE1 LYS 2 23.670 9.673 -5.636
26 HZ1 LYS 2 HZ1 LYS 2 22.134 8.239 -4.931
27 HZ2 LYS 2 HZ2 LYS 2 21.796 7.929 -6.566
28 HZ3 LYS 2 HZ3 LYS 2 20.862 9.055 -5.701
29 H LEU 3 HN LEU 3 21.754 12.779 -0.504
30 HA LEU 3 HA LEU 3 24.597 13.144 -0.928
31 HB2 LEU 3 HB2 LEU 3 23.056 13.943 1.566
32 HB3 LEU 3 HB1 LEU 3 24.485 14.725 0.849
33 HG LEU 3 HG LEU 3 21.680 14.615 -0.345
34 HD11 LEU 3 HD11 LEU 3 23.381 16.942 0.655
35 HD12 LEU 3 HD12 LEU 3 22.018 16.216 1.540
36 HD13 LEU 3 HD13 LEU 3 21.733 17.052 -0.005
37 HD21 LEU 3 HD21 LEU 3 23.176 14.518 -2.207
38 HD22 LEU 3 HD22 LEU 3 24.343 15.618 -1.434
39 HD23 LEU 3 HD23 LEU 3 22.789 16.244 -2.034
40 H LEU 4 HN LEU 4 23.002 10.549 0.218
41 HA LEU 4 HA LEU 4 24.321 9.957 2.687
42 HB2 LEU 4 HB2 LEU 4 23.485 7.899 0.612
43 HB3 LEU 4 HB1 LEU 4 23.523 7.722 2.381
44 HG LEU 4 HG LEU 4 21.648 9.503 0.765
45 HD11 LEU 4 HD11 LEU 4 21.143 7.098 2.573
46 HD12 LEU 4 HD12 LEU 4 21.112 7.072 0.793
47 HD13 LEU 4 HD13 LEU 4 19.907 8.026 1.691
48 HD21 LEU 4 HD21 LEU 4 22.103 10.732 2.764
49 HD22 LEU 4 HD22 LEU 4 22.163 9.256 3.758
50 HD23 LEU 4 HD23 LEU 4 20.607 9.841 3.120
51 HA PRO 5 HA PRO 5 28.608 9.102 1.849
52 HB2 PRO 5 HB2 PRO 5 27.905 6.295 2.765
53 HB3 PRO 5 HB1 PRO 5 29.350 7.285 3.154
54 HG2 PRO 5 HG2 PRO 5 27.311 7.093 4.875
55 HG3 PRO 5 HG1 PRO 5 28.188 8.637 4.644
56 HD2 PRO 5 HD2 PRO 5 25.422 7.897 3.767
57 HD3 PRO 5 HD1 PRO 5 26.130 9.519 4.063
58 H ILE 6 HN ILE 6 28.151 9.339 -0.474
59 HA ILE 6 HA ILE 6 28.599 6.752 -1.917
60 HB ILE 6 HB ILE 6 26.560 8.876 -2.750
61 HG12 ILE 6 HG12 ILE 6 25.900 7.107 -0.939
62 HG13 ILE 6 HG11 ILE 6 24.831 7.318 -2.331
63 HG21 ILE 6 HG21 ILE 6 27.647 8.097 -4.735
64 HG22 ILE 6 HG22 ILE 6 26.109 7.214 -4.638
65 HG23 ILE 6 HG23 ILE 6 27.628 6.409 -4.173
66 HD11 ILE 6 HD1 ILE 6 25.342 4.898 -1.659
67 HD12 ILE 6 HD2 ILE 6 26.992 5.168 -2.251
68 HD13 ILE 6 HD3 ILE 6 25.619 5.299 -3.367
69 H VAL 7 HN VAL 7 27.916 10.102 -2.960
70 HA VAL 7 HA VAL 7 30.246 10.111 -4.668
71 HB VAL 7 HB VAL 7 28.535 12.441 -3.785
72 HG11 VAL 7 HG11 VAL 7 29.309 13.357 -6.040
73 HG12 VAL 7 HG12 VAL 7 30.466 12.006 -6.104
74 HG13 VAL 7 HG13 VAL 7 30.583 13.218 -4.806
75 HG21 VAL 7 HG21 VAL 7 28.272 10.701 -6.281
76 HG22 VAL 7 HG22 VAL 7 27.210 12.049 -5.804
77 HG23 VAL 7 HG23 VAL 7 27.239 10.554 -4.838
78 H ALA 8 HN ALA 8 29.420 11.095 -1.615
79 HA ALA 8 HA ALA 8 31.716 12.836 -1.105
80 HB1 ALA 8 HB1 ALA 8 29.864 11.506 0.901
81 HB2 ALA 8 HB2 ALA 8 29.505 13.036 0.064
82 HB3 ALA 8 HB3 ALA 8 30.898 12.929 1.166
83 H ASN 9 HN ASN 9 31.039 9.431 -0.968
84 HA ASN 9 HA ASN 9 33.043 8.708 0.981
85 HB2 ASN 9 HB2 ASN 9 31.133 7.255 0.217
86 HB3 ASN 9 HB1 ASN 9 31.988 7.034 -1.329
87 HD21 ASN 9 HD21 ASN 9 31.937 6.153 2.099
88 HD22 ASN 9 HD22 ASN 9 33.266 4.993 2.004
89 H LEU 10 HN LEU 10 33.029 8.803 -2.606
90 HA LEU 10 HA LEU 10 35.810 7.969 -2.795
91 HB2 LEU 10 HB2 LEU 10 34.232 9.470 -4.912
92 HB3 LEU 10 HB1 LEU 10 35.571 8.320 -5.139
93 HG LEU 10 HG LEU 10 32.800 7.653 -4.043
94 HD11 LEU 10 HD11 LEU 10 32.835 8.096 -6.475
95 HD12 LEU 10 HD12 LEU 10 32.589 6.363 -6.155
96 HD13 LEU 10 HD13 LEU 10 34.186 6.954 -6.671
97 HD21 LEU 10 HD21 LEU 10 34.324 6.155 -2.974
98 HD22 LEU 10 HD22 LEU 10 35.342 6.016 -4.428
99 HD23 LEU 10 HD23 LEU 10 33.736 5.251 -4.388
100 H LEU 11 HN LEU 11 34.221 10.947 -2.096
101 HA LEU 11 HA LEU 11 36.276 12.703 -3.161
102 HB2 LEU 11 HB2 LEU 11 34.058 13.585 -2.799
103 HB3 LEU 11 HB1 LEU 11 34.073 13.080 -1.096
104 HG LEU 11 HG LEU 11 35.762 14.725 -0.539
105 HD11 LEU 11 HD11 LEU 11 35.966 15.065 -3.558
106 HD12 LEU 11 HD12 LEU 11 37.262 14.697 -2.393
107 HD13 LEU 11 HD13 LEU 11 36.541 16.321 -2.435
108 HD21 LEU 11 HD21 LEU 11 33.352 15.469 -0.838
109 HD22 LEU 11 HD22 LEU 11 33.804 16.063 -2.454
110 HD23 LEU 11 HD23 LEU 11 34.554 16.771 -1.002
111 H LYS 12 HN LYS 12 35.336 12.123 0.259
112 HA LYS 12 HA LYS 12 37.679 13.169 1.412
113 HB2 LYS 12 HB2 LYS 12 35.978 10.854 2.420
114 HB3 LYS 12 HB1 LYS 12 37.096 11.833 3.399
115 HG2 LYS 12 HG2 LYS 12 35.773 13.881 2.729
116 HG3 LYS 12 HG1 LYS 12 34.591 12.797 1.956
117 HD2 LYS 12 HD2 LYS 12 34.283 11.626 4.150
118 HD3 LYS 12 HD1 LYS 12 35.385 12.806 4.902
119 HE2 LYS 12 HE2 LYS 12 32.778 13.481 3.469
120 HE3 LYS 12 HE1 LYS 12 33.012 13.454 5.233
121 HZ1 LYS 12 HZ1 LYS 12 34.704 15.167 4.992
122 HZ2 LYS 12 HZ2 LYS 12 33.225 15.692 4.343
123 HZ3 LYS 12 HZ3 LYS 12 34.481 15.194 3.311
124 H SER 13 HN SER 13 36.954 9.680 0.883
125 HA SER 13 HA SER 13 38.399 7.879 0.655
126 HB2 SER 13 HB2 SER 13 38.963 9.101 -1.441
127 HB3 SER 13 HB1 SER 13 40.247 9.966 -0.569
128 HG SER 13 HG SER 13 41.362 8.276 -1.214
129 H LEU 14 HN LEU 14 41.029 7.402 0.884
130 HA LEU 14 HA LEU 14 41.463 7.652 3.722
131 HB2 LEU 14 HB2 LEU 14 43.171 6.733 1.384
132 HB3 LEU 14 HB1 LEU 14 43.838 6.817 3.031
133 HG LEU 14 HG LEU 14 41.994 5.342 3.834
134 HD11 LEU 14 HD11 LEU 14 41.226 5.443 0.891
135 HD12 LEU 14 HD12 LEU 14 40.202 5.747 2.316
136 HD13 LEU 14 HD13 LEU 14 40.733 4.092 1.941
137 HD21 LEU 14 HD21 LEU 14 44.168 4.385 3.125
138 HD22 LEU 14 HD22 LEU 14 43.564 4.249 1.455
139 HD23 LEU 14 HD23 LEU 14 42.830 3.273 2.750
140 H LEU 15 HN LEU 15 43.709 8.773 1.157
141 HA LEU 15 HA LEU 15 44.844 10.773 2.928
142 HB2 LEU 15 HB2 LEU 15 45.113 10.758 -0.096
143 HB3 LEU 15 HB1 LEU 15 46.287 11.306 1.125
144 HG LEU 15 HG LEU 15 45.410 8.432 0.596
145 HD11 LEU 15 HD11 LEU 15 48.073 9.888 0.274
146 HD12 LEU 15 HD12 LEU 15 47.010 9.344 -1.046
147 HD13 LEU 15 HD13 LEU 15 47.812 8.149 0.003
148 HD21 LEU 15 HD21 LEU 15 45.750 8.594 2.965
149 HD22 LEU 15 HD22 LEU 15 47.150 9.675 2.768
150 HD23 LEU 15 HD23 LEU 15 47.278 7.958 2.314
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 15.861 11.452 -1.840
2 H2 LYS 1 HT2 LYS 1 15.372 9.875 -2.241
3 H3 LYS 1 HT3 LYS 1 15.382 11.093 -3.426
4 HA LYS 1 HA LYS 1 17.289 9.329 -3.194
5 HB2 LYS 1 HB2 LYS 1 18.775 11.046 -4.283
6 HB3 LYS 1 HB1 LYS 1 17.150 10.933 -5.002
7 HG2 LYS 1 HG2 LYS 1 16.414 12.875 -3.650
8 HG3 LYS 1 HG1 LYS 1 18.039 12.991 -2.931
9 HD2 LYS 1 HD2 LYS 1 19.024 13.420 -5.136
10 HD3 LYS 1 HD1 LYS 1 17.437 13.206 -5.915
11 HE2 LYS 1 HE2 LYS 1 16.562 15.117 -4.527
12 HE3 LYS 1 HE1 LYS 1 18.216 15.378 -3.922
13 HZ1 LYS 1 HZ1 LYS 1 18.960 16.015 -6.001
14 HZ2 LYS 1 HZ2 LYS 1 17.406 16.700 -5.962
15 HZ3 LYS 1 HZ3 LYS 1 17.684 15.264 -6.826
16 H LYS 2 HN LYS 2 19.371 9.108 -2.342
17 HA LYS 2 HA LYS 2 20.539 10.993 -0.507
18 HB2 LYS 2 HB2 LYS 2 20.256 9.574 1.580
19 HB3 LYS 2 HB1 LYS 2 18.782 10.417 1.041
20 HG2 LYS 2 HG2 LYS 2 18.023 8.352 -0.108
21 HG3 LYS 2 HG1 LYS 2 19.489 7.509 0.449
22 HD2 LYS 2 HD2 LYS 2 18.840 7.823 2.784
23 HD3 LYS 2 HD1 LYS 2 17.439 8.805 2.296
24 HE2 LYS 2 HE2 LYS 2 16.540 6.833 1.039
25 HE3 LYS 2 HE1 LYS 2 17.899 5.859 1.654
26 HZ1 LYS 2 HZ1 LYS 2 17.110 5.972 3.806
27 HZ2 LYS 2 HZ2 LYS 2 15.665 5.858 2.921
28 HZ3 LYS 2 HZ3 LYS 2 16.178 7.360 3.527
29 H LEU 3 HN LEU 3 21.488 9.700 -2.680
30 HA LEU 3 HA LEU 3 23.100 7.389 -1.717
31 HB2 LEU 3 HB2 LEU 3 22.716 8.804 -4.384
32 HB3 LEU 3 HB1 LEU 3 24.057 7.662 -4.133
33 HG LEU 3 HG LEU 3 22.499 5.870 -3.570
34 HD11 LEU 3 HD11 LEU 3 20.747 6.996 -2.391
35 HD12 LEU 3 HD12 LEU 3 19.985 6.368 -3.870
36 HD13 LEU 3 HD13 LEU 3 20.423 8.090 -3.756
37 HD21 LEU 3 HD21 LEU 3 21.329 5.664 -5.740
38 HD22 LEU 3 HD22 LEU 3 22.972 6.308 -5.972
39 HD23 LEU 3 HD23 LEU 3 21.569 7.400 -6.043
40 H LEU 4 HN LEU 4 23.148 10.361 -0.827
41 HA LEU 4 HA LEU 4 25.693 11.399 -1.722
42 HB2 LEU 4 HB2 LEU 4 23.789 12.038 0.538
43 HB3 LEU 4 HB1 LEU 4 25.409 12.770 0.541
44 HG LEU 4 HG LEU 4 25.012 13.687 -1.717
45 HD11 LEU 4 HD11 LEU 4 23.554 12.026 -2.681
46 HD12 LEU 4 HD12 LEU 4 22.623 13.540 -2.609
47 HD13 LEU 4 HD13 LEU 4 22.338 12.260 -1.404
48 HD21 LEU 4 HD21 LEU 4 24.352 15.037 0.240
49 HD22 LEU 4 HD22 LEU 4 22.756 14.249 0.263
50 HD23 LEU 4 HD23 LEU 4 23.210 15.301 -1.099
51 HA PRO 5 HA PRO 5 27.242 9.439 2.532
52 HB2 PRO 5 HB2 PRO 5 25.945 6.743 2.130
53 HB3 PRO 5 HB1 PRO 5 26.259 7.642 3.650
54 HG2 PRO 5 HG2 PRO 5 23.797 7.513 2.656
55 HG3 PRO 5 HG1 PRO 5 24.416 9.046 3.347
56 HD2 PRO 5 HD2 PRO 5 24.159 8.247 0.440
57 HD3 PRO 5 HD1 PRO 5 23.769 9.815 1.219
58 H ILE 6 HN ILE 6 26.604 7.788 -0.527
59 HA ILE 6 HA ILE 6 29.128 6.276 -0.464
60 HB ILE 6 HB ILE 6 27.356 6.799 -2.890
61 HG12 ILE 6 HG12 ILE 6 27.084 4.665 -0.721
62 HG13 ILE 6 HG11 ILE 6 25.941 5.993 -1.031
63 HG21 ILE 6 HG21 ILE 6 29.015 4.349 -2.161
64 HG22 ILE 6 HG22 ILE 6 29.688 5.717 -3.081
65 HG23 ILE 6 HG23 ILE 6 28.330 4.782 -3.745
66 HD11 ILE 6 HD1 ILE 6 24.979 4.132 -2.149
67 HD12 ILE 6 HD2 ILE 6 26.551 3.577 -2.768
68 HD13 ILE 6 HD3 ILE 6 25.791 5.036 -3.449
69 H VAL 7 HN VAL 7 27.781 8.970 -2.432
70 HA VAL 7 HA VAL 7 30.122 9.534 -3.876
71 HB VAL 7 HB VAL 7 28.086 11.531 -2.874
72 HG11 VAL 7 HG11 VAL 7 30.115 11.573 -5.148
73 HG12 VAL 7 HG12 VAL 7 30.001 12.693 -3.769
74 HG13 VAL 7 HG13 VAL 7 28.757 12.717 -5.042
75 HG21 VAL 7 HG21 VAL 7 28.149 9.843 -5.420
76 HG22 VAL 7 HG22 VAL 7 26.967 11.128 -5.076
77 HG23 VAL 7 HG23 VAL 7 27.006 9.662 -4.067
78 H ALA 8 HN ALA 8 29.174 10.218 -0.777
79 HA ALA 8 HA ALA 8 31.071 12.289 -0.106
80 HB1 ALA 8 HB1 ALA 8 29.081 11.942 1.244
81 HB2 ALA 8 HB2 ALA 8 30.526 11.683 2.251
82 HB3 ALA 8 HB3 ALA 8 29.600 10.288 1.645
83 H ASN 9 HN ASN 9 31.180 8.761 -0.145
84 HA ASN 9 HA ASN 9 33.560 8.477 1.449
85 HB2 ASN 9 HB2 ASN 9 31.997 6.614 0.908
86 HB3 ASN 9 HB1 ASN 9 32.534 6.686 -0.788
87 HD21 ASN 9 HD21 ASN 9 32.958 4.778 1.807
88 HD22 ASN 9 HD22 ASN 9 34.670 4.374 1.636
89 H LEU 10 HN LEU 10 32.968 9.065 -2.001
90 HA LEU 10 HA LEU 10 35.744 8.676 -2.778
91 HB2 LEU 10 HB2 LEU 10 33.694 10.351 -4.264
92 HB3 LEU 10 HB1 LEU 10 35.064 9.431 -4.927
93 HG LEU 10 HG LEU 10 32.573 8.262 -3.605
94 HD11 LEU 10 HD11 LEU 10 32.050 7.436 -5.838
95 HD12 LEU 10 HD12 LEU 10 33.584 8.075 -6.477
96 HD13 LEU 10 HD13 LEU 10 32.311 9.194 -5.933
97 HD21 LEU 10 HD21 LEU 10 34.375 6.784 -3.065
98 HD22 LEU 10 HD22 LEU 10 35.148 7.010 -4.652
99 HD23 LEU 10 HD23 LEU 10 33.636 6.080 -4.520
100 H LEU 11 HN LEU 11 33.897 11.277 -1.378
101 HA LEU 11 HA LEU 11 35.396 13.514 -2.247
102 HB2 LEU 11 HB2 LEU 11 33.260 13.495 -0.856
103 HB3 LEU 11 HB1 LEU 11 34.275 13.109 0.549
104 HG LEU 11 HG LEU 11 35.667 15.231 -0.148
105 HD11 LEU 11 HD11 LEU 11 34.146 16.989 -1.207
106 HD12 LEU 11 HD12 LEU 11 33.057 15.663 -1.672
107 HD13 LEU 11 HD13 LEU 11 34.714 15.723 -2.315
108 HD21 LEU 11 HD21 LEU 11 34.139 16.687 1.155
109 HD22 LEU 11 HD22 LEU 11 34.273 15.072 1.891
110 HD23 LEU 11 HD23 LEU 11 32.829 15.500 0.943
111 H LYS 12 HN LYS 12 35.830 11.592 0.763
112 HA LYS 12 HA LYS 12 38.352 12.893 1.381
113 HB2 LYS 12 HB2 LYS 12 37.447 10.189 2.429
114 HB3 LYS 12 HB1 LYS 12 38.466 11.408 3.233
115 HG2 LYS 12 HG2 LYS 12 35.502 11.682 2.561
116 HG3 LYS 12 HG1 LYS 12 36.204 11.463 4.180
117 HD2 LYS 12 HD2 LYS 12 37.548 13.627 3.704
118 HD3 LYS 12 HD1 LYS 12 36.436 13.872 2.336
119 HE2 LYS 12 HE2 LYS 12 34.511 13.632 3.973
120 HE3 LYS 12 HE1 LYS 12 35.712 13.653 5.287
121 HZ1 LYS 12 HZ1 LYS 12 34.744 15.860 4.766
122 HZ2 LYS 12 HZ2 LYS 12 35.449 15.783 3.222
123 HZ3 LYS 12 HZ3 LYS 12 36.432 15.814 4.607
124 H SER 13 HN SER 13 37.368 10.097 -0.497
125 HA SER 13 HA SER 13 38.602 8.595 -1.759
126 HB2 SER 13 HB2 SER 13 40.422 9.476 -3.001
127 HB3 SER 13 HB1 SER 13 39.380 10.878 -2.667
128 HG SER 13 HG SER 13 41.916 10.263 -1.753
129 H LEU 14 HN LEU 14 40.630 7.271 -1.872
130 HA LEU 14 HA LEU 14 41.285 6.371 0.801
131 HB2 LEU 14 HB2 LEU 14 41.194 4.757 -0.987
132 HB3 LEU 14 HB1 LEU 14 42.360 5.677 -1.960
133 HG LEU 14 HG LEU 14 44.167 5.162 -0.427
134 HD11 LEU 14 HD11 LEU 14 41.929 4.099 1.343
135 HD12 LEU 14 HD12 LEU 14 43.170 5.314 1.737
136 HD13 LEU 14 HD13 LEU 14 43.623 3.603 1.575
137 HD21 LEU 14 HD21 LEU 14 42.496 2.633 -0.760
138 HD22 LEU 14 HD22 LEU 14 44.270 2.748 -0.662
139 HD23 LEU 14 HD23 LEU 14 43.412 3.397 -2.080
140 H LEU 15 HN LEU 15 42.487 7.609 2.111
141 HA LEU 15 HA LEU 15 44.479 9.466 1.161
142 HB2 LEU 15 HB2 LEU 15 44.375 8.256 3.946
143 HB3 LEU 15 HB1 LEU 15 44.962 9.864 3.460
144 HG LEU 15 HG LEU 15 42.076 8.877 3.350
145 HD11 LEU 15 HD11 LEU 15 43.034 9.468 5.612
146 HD12 LEU 15 HD12 LEU 15 41.685 10.513 5.106
147 HD13 LEU 15 HD13 LEU 15 43.361 11.103 4.991
148 HD21 LEU 15 HD21 LEU 15 42.327 10.354 1.487
149 HD22 LEU 15 HD22 LEU 15 43.424 11.434 2.381
150 HD23 LEU 15 HD23 LEU 15 41.691 11.384 2.789
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 17.569 6.421 -1.634
2 H2 LYS 1 HT2 LYS 1 17.265 5.589 -0.184
3 H3 LYS 1 HT3 LYS 1 18.840 5.647 -0.821
4 HA LYS 1 HA LYS 1 18.219 8.243 -0.629
5 HB2 LYS 1 HB2 LYS 1 17.036 6.731 1.734
6 HB3 LYS 1 HB1 LYS 1 17.352 8.484 1.705
7 HG2 LYS 1 HG2 LYS 1 15.823 8.773 -0.184
8 HG3 LYS 1 HG1 LYS 1 15.571 7.013 -0.286
9 HD2 LYS 1 HD2 LYS 1 14.679 7.060 2.067
10 HD3 LYS 1 HD1 LYS 1 14.801 8.837 2.034
11 HE2 LYS 1 HE2 LYS 1 13.304 8.871 0.031
12 HE3 LYS 1 HE1 LYS 1 13.130 7.104 0.160
13 HZ1 LYS 1 HZ1 LYS 1 11.771 9.131 1.591
14 HZ2 LYS 1 HZ2 LYS 1 12.632 8.157 2.685
15 HZ3 LYS 1 HZ3 LYS 1 11.513 7.454 1.617
16 H LYS 2 HN LYS 2 19.405 9.267 1.310
17 HA LYS 2 HA LYS 2 21.433 9.489 2.415
18 HB2 LYS 2 HB2 LYS 2 21.243 6.494 2.906
19 HB3 LYS 2 HB1 LYS 2 22.097 7.710 3.888
20 HG2 LYS 2 HG2 LYS 2 19.922 8.815 4.385
21 HG3 LYS 2 HG1 LYS 2 19.082 7.558 3.446
22 HD2 LYS 2 HD2 LYS 2 19.905 5.821 4.972
23 HD3 LYS 2 HD1 LYS 2 20.840 7.031 5.882
24 HE2 LYS 2 HE2 LYS 2 18.738 6.576 7.059
25 HE3 LYS 2 HE1 LYS 2 18.706 8.233 6.407
26 HZ1 LYS 2 HZ1 LYS 2 17.705 6.763 4.370
27 HZ2 LYS 2 HZ2 LYS 2 16.772 7.603 5.514
28 HZ3 LYS 2 HZ3 LYS 2 17.083 5.945 5.718
29 H LEU 3 HN LEU 3 21.799 9.513 -0.193
30 HA LEU 3 HA LEU 3 23.790 7.476 -0.990
31 HB2 LEU 3 HB2 LEU 3 22.625 9.974 -2.279
32 HB3 LEU 3 HB1 LEU 3 23.994 9.097 -3.004
33 HG LEU 3 HG LEU 3 22.672 7.054 -3.169
34 HD11 LEU 3 HD11 LEU 3 20.632 8.660 -1.585
35 HD12 LEU 3 HD12 LEU 3 21.312 7.056 -1.217
36 HD13 LEU 3 HD13 LEU 3 20.157 7.245 -2.555
37 HD21 LEU 3 HD21 LEU 3 22.436 8.892 -4.912
38 HD22 LEU 3 HD22 LEU 3 20.936 9.385 -4.088
39 HD23 LEU 3 HD23 LEU 3 21.058 7.769 -4.826
40 H LEU 4 HN LEU 4 23.809 9.863 1.185
41 HA LEU 4 HA LEU 4 25.929 11.600 0.573
42 HB2 LEU 4 HB2 LEU 4 24.815 10.447 3.124
43 HB3 LEU 4 HB1 LEU 4 26.349 11.339 3.220
44 HG LEU 4 HG LEU 4 25.282 13.286 2.116
45 HD11 LEU 4 HD11 LEU 4 23.626 12.192 0.730
46 HD12 LEU 4 HD12 LEU 4 22.750 13.221 1.890
47 HD13 LEU 4 HD13 LEU 4 22.841 11.462 2.150
48 HD21 LEU 4 HD21 LEU 4 23.861 13.951 3.988
49 HD22 LEU 4 HD22 LEU 4 25.218 12.986 4.619
50 HD23 LEU 4 HD23 LEU 4 23.606 12.251 4.447
51 HA PRO 5 HA PRO 5 29.190 8.540 2.565
52 HB2 PRO 5 HB2 PRO 5 28.414 5.816 2.231
53 HB3 PRO 5 HB1 PRO 5 28.431 6.732 3.771
54 HG2 PRO 5 HG2 PRO 5 26.146 6.188 1.900
55 HG3 PRO 5 HG1 PRO 5 26.170 6.244 3.691
56 HD2 PRO 5 HD2 PRO 5 25.160 8.291 2.275
57 HD3 PRO 5 HD1 PRO 5 26.135 8.603 3.747
58 H ILE 6 HN ILE 6 27.139 7.852 -0.221
59 HA ILE 6 HA ILE 6 29.233 6.538 -1.763
60 HB ILE 6 HB ILE 6 26.805 7.987 -2.897
61 HG12 ILE 6 HG12 ILE 6 27.026 5.201 -1.664
62 HG13 ILE 6 HG11 ILE 6 26.008 6.542 -1.092
63 HG21 ILE 6 HG21 ILE 6 28.210 5.448 -3.830
64 HG22 ILE 6 HG22 ILE 6 28.682 7.068 -4.396
65 HG23 ILE 6 HG23 ILE 6 27.047 6.449 -4.730
66 HD11 ILE 6 HD1 ILE 6 24.502 5.191 -2.327
67 HD12 ILE 6 HD2 ILE 6 25.698 4.863 -3.602
68 HD13 ILE 6 HD3 ILE 6 24.944 6.471 -3.480
69 H VAL 7 HN VAL 7 27.754 9.816 -1.854
70 HA VAL 7 HA VAL 7 29.498 10.859 -3.821
71 HB VAL 7 HB VAL 7 28.225 12.336 -1.511
72 HG11 VAL 7 HG11 VAL 7 29.879 13.746 -2.551
73 HG12 VAL 7 HG12 VAL 7 28.306 14.258 -3.205
74 HG13 VAL 7 HG13 VAL 7 29.385 13.235 -4.182
75 HG21 VAL 7 HG21 VAL 7 27.195 11.844 -4.345
76 HG22 VAL 7 HG22 VAL 7 26.368 12.782 -3.078
77 HG23 VAL 7 HG23 VAL 7 26.596 11.027 -2.882
78 H ALA 8 HN ALA 8 29.764 10.327 -0.563
79 HA ALA 8 HA ALA 8 32.084 11.962 0.012
80 HB1 ALA 8 HB1 ALA 8 31.136 9.465 1.456
81 HB2 ALA 8 HB2 ALA 8 30.494 11.101 1.736
82 HB3 ALA 8 HB3 ALA 8 32.198 10.737 2.103
83 H ASN 9 HN ASN 9 31.580 8.619 -1.064
84 HA ASN 9 HA ASN 9 34.170 7.587 -0.669
85 HB2 ASN 9 HB2 ASN 9 32.183 6.309 -1.501
86 HB3 ASN 9 HB1 ASN 9 32.386 7.094 -3.085
87 HD21 ASN 9 HD21 ASN 9 32.592 4.284 -2.942
88 HD22 ASN 9 HD22 ASN 9 34.281 3.823 -3.178
89 H LEU 10 HN LEU 10 32.890 9.539 -3.380
90 HA LEU 10 HA LEU 10 35.243 9.447 -4.994
91 HB2 LEU 10 HB2 LEU 10 32.963 11.432 -4.709
92 HB3 LEU 10 HB1 LEU 10 34.309 11.740 -5.831
93 HG LEU 10 HG LEU 10 33.874 9.576 -6.958
94 HD11 LEU 10 HD11 LEU 10 32.967 8.190 -5.242
95 HD12 LEU 10 HD12 LEU 10 31.611 8.465 -6.358
96 HD13 LEU 10 HD13 LEU 10 31.706 9.376 -4.831
97 HD21 LEU 10 HD21 LEU 10 32.703 11.737 -7.618
98 HD22 LEU 10 HD22 LEU 10 31.296 11.181 -6.679
99 HD23 LEU 10 HD23 LEU 10 31.846 10.252 -8.094
100 H LEU 11 HN LEU 11 34.194 11.776 -2.476
101 HA LEU 11 HA LEU 11 36.657 13.333 -2.700
102 HB2 LEU 11 HB2 LEU 11 34.752 13.334 -0.335
103 HB3 LEU 11 HB1 LEU 11 35.766 14.663 -0.947
104 HG LEU 11 HG LEU 11 33.353 13.428 -2.348
105 HD11 LEU 11 HD11 LEU 11 33.842 16.210 -1.192
106 HD12 LEU 11 HD12 LEU 11 32.841 14.946 -0.439
107 HD13 LEU 11 HD13 LEU 11 32.355 15.655 -1.997
108 HD21 LEU 11 HD21 LEU 11 34.888 14.043 -4.081
109 HD22 LEU 11 HD22 LEU 11 35.401 15.512 -3.217
110 HD23 LEU 11 HD23 LEU 11 33.777 15.424 -3.940
111 H LYS 12 HN LYS 12 36.318 10.267 -1.789
112 HA LYS 12 HA LYS 12 37.487 8.849 -0.375
113 HB2 LYS 12 HB2 LYS 12 39.472 11.158 -0.320
114 HB3 LYS 12 HB1 LYS 12 39.812 9.470 0.132
115 HG2 LYS 12 HG2 LYS 12 39.176 8.754 -2.177
116 HG3 LYS 12 HG1 LYS 12 38.939 10.463 -2.617
117 HD2 LYS 12 HD2 LYS 12 41.316 10.922 -1.987
118 HD3 LYS 12 HD1 LYS 12 41.539 9.186 -1.661
119 HE2 LYS 12 HE2 LYS 12 40.678 10.375 -4.335
120 HE3 LYS 12 HE1 LYS 12 42.319 9.806 -3.945
121 HZ1 LYS 12 HZ1 LYS 12 41.666 7.780 -4.513
122 HZ2 LYS 12 HZ2 LYS 12 40.072 8.305 -4.773
123 HZ3 LYS 12 HZ3 LYS 12 40.554 7.777 -3.233
124 H SER 13 HN SER 13 35.538 9.567 1.057
125 HA SER 13 HA SER 13 34.763 10.110 3.176
126 HB2 SER 13 HB2 SER 13 37.636 9.511 3.979
127 HB3 SER 13 HB1 SER 13 36.212 9.492 5.044
128 HG SER 13 HG SER 13 35.538 7.970 3.074
129 H LEU 14 HN LEU 14 34.487 12.340 2.467
130 HA LEU 14 HA LEU 14 35.705 14.170 4.342
131 HB2 LEU 14 HB2 LEU 14 37.574 13.887 2.657
132 HB3 LEU 14 HB1 LEU 14 36.483 14.553 1.426
133 HG LEU 14 HG LEU 14 36.208 16.601 2.976
134 HD11 LEU 14 HD11 LEU 14 37.054 15.895 5.083
135 HD12 LEU 14 HD12 LEU 14 38.345 16.925 4.435
136 HD13 LEU 14 HD13 LEU 14 38.501 15.156 4.361
137 HD21 LEU 14 HD21 LEU 14 38.311 17.614 2.160
138 HD22 LEU 14 HD22 LEU 14 37.568 16.599 0.900
139 HD23 LEU 14 HD23 LEU 14 38.966 15.995 1.821
140 H LEU 15 HN LEU 15 33.436 14.434 4.702
141 HA LEU 15 HA LEU 15 31.501 15.109 2.801
142 HB2 LEU 15 HB2 LEU 15 30.541 16.583 4.778
143 HB3 LEU 15 HB1 LEU 15 30.655 14.820 4.966
144 HG LEU 15 HG LEU 15 32.729 15.024 6.228
145 HD11 LEU 15 HD11 LEU 15 32.502 17.966 5.481
146 HD12 LEU 15 HD12 LEU 15 33.861 16.856 5.176
147 HD13 LEU 15 HD13 LEU 15 33.514 17.404 6.831
148 HD21 LEU 15 HD21 LEU 15 31.889 16.277 8.188
149 HD22 LEU 15 HD22 LEU 15 30.587 15.313 7.447
150 HD23 LEU 15 HD23 LEU 15 30.668 17.068 7.165
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 15.661 5.814 2.119
2 H2 LYS 1 HT2 LYS 1 16.809 6.791 2.904
3 H3 LYS 1 HT3 LYS 1 17.043 5.111 2.805
4 HA LYS 1 HA LYS 1 17.059 5.358 0.348
5 HB2 LYS 1 HB2 LYS 1 17.465 8.275 1.123
6 HB3 LYS 1 HB1 LYS 1 17.543 7.590 -0.520
7 HG2 LYS 1 HG2 LYS 1 15.157 6.818 -0.243
8 HG3 LYS 1 HG1 LYS 1 15.105 7.692 1.307
9 HD2 LYS 1 HD2 LYS 1 15.712 9.799 0.104
10 HD3 LYS 1 HD1 LYS 1 15.649 8.909 -1.436
11 HE2 LYS 1 HE2 LYS 1 13.263 8.269 -0.875
12 HE3 LYS 1 HE1 LYS 1 13.359 9.373 0.519
13 HZ1 LYS 1 HZ1 LYS 1 12.397 10.460 -1.419
14 HZ2 LYS 1 HZ2 LYS 1 13.793 10.132 -2.329
15 HZ3 LYS 1 HZ3 LYS 1 13.872 11.184 -0.997
16 H LYS 2 HN LYS 2 19.175 5.818 -0.744
17 HA LYS 2 HA LYS 2 21.470 6.266 1.085
18 HB2 LYS 2 HB2 LYS 2 22.546 4.122 0.456
19 HB3 LYS 2 HB1 LYS 2 21.048 3.865 1.381
20 HG2 LYS 2 HG2 LYS 2 19.819 3.596 -0.808
21 HG3 LYS 2 HG1 LYS 2 21.383 3.669 -1.649
22 HD2 LYS 2 HD2 LYS 2 20.956 1.658 0.597
23 HD3 LYS 2 HD1 LYS 2 20.352 1.313 -1.036
24 HE2 LYS 2 HE2 LYS 2 23.243 2.067 -0.414
25 HE3 LYS 2 HE1 LYS 2 22.657 0.401 -0.610
26 HZ1 LYS 2 HZ1 LYS 2 21.951 0.923 -2.840
27 HZ2 LYS 2 HZ2 LYS 2 23.592 1.326 -2.664
28 HZ3 LYS 2 HZ3 LYS 2 22.411 2.546 -2.661
29 H LEU 3 HN LEU 3 23.502 5.369 -0.477
30 HA LEU 3 HA LEU 3 24.712 5.840 -2.400
31 HB2 LEU 3 HB2 LEU 3 22.333 5.277 -3.521
32 HB3 LEU 3 HB1 LEU 3 22.321 7.024 -3.836
33 HG LEU 3 HG LEU 3 24.789 6.589 -4.750
34 HD11 LEU 3 HD11 LEU 3 23.482 3.839 -5.001
35 HD12 LEU 3 HD12 LEU 3 24.946 4.224 -4.070
36 HD13 LEU 3 HD13 LEU 3 24.963 4.344 -5.844
37 HD21 LEU 3 HD21 LEU 3 23.828 6.108 -7.011
38 HD22 LEU 3 HD22 LEU 3 22.929 7.379 -6.148
39 HD23 LEU 3 HD23 LEU 3 22.269 5.728 -6.243
40 H LEU 4 HN LEU 4 22.970 7.898 -0.460
41 HA LEU 4 HA LEU 4 23.877 10.423 -1.729
42 HB2 LEU 4 HB2 LEU 4 22.637 10.174 1.027
43 HB3 LEU 4 HB1 LEU 4 22.568 11.534 -0.116
44 HG LEU 4 HG LEU 4 21.227 8.816 -0.437
45 HD11 LEU 4 HD11 LEU 4 19.157 10.055 -0.209
46 HD12 LEU 4 HD12 LEU 4 20.028 11.608 -0.212
47 HD13 LEU 4 HD13 LEU 4 20.201 10.493 1.164
48 HD21 LEU 4 HD21 LEU 4 21.897 9.509 -2.638
49 HD22 LEU 4 HD22 LEU 4 21.488 11.209 -2.306
50 HD23 LEU 4 HD23 LEU 4 20.195 9.999 -2.482
51 HA PRO 5 HA PRO 5 26.761 10.350 2.040
52 HB2 PRO 5 HB2 PRO 5 27.146 8.134 3.533
53 HB3 PRO 5 HB1 PRO 5 25.676 9.141 3.728
54 HG2 PRO 5 HG2 PRO 5 26.012 6.511 2.323
55 HG3 PRO 5 HG1 PRO 5 24.630 7.125 3.282
56 HD2 PRO 5 HD2 PRO 5 24.843 7.173 0.441
57 HD3 PRO 5 HD1 PRO 5 23.648 8.086 1.417
58 H ILE 6 HN ILE 6 26.737 7.612 -0.146
59 HA ILE 6 HA ILE 6 29.521 6.890 0.155
60 HB ILE 6 HB ILE 6 27.859 6.558 -2.377
61 HG12 ILE 6 HG12 ILE 6 27.900 4.863 0.164
62 HG13 ILE 6 HG11 ILE 6 26.515 5.775 -0.479
63 HG21 ILE 6 HG21 ILE 6 29.964 4.724 -1.156
64 HG22 ILE 6 HG22 ILE 6 30.379 6.022 -2.301
65 HG23 ILE 6 HG23 ILE 6 29.309 4.697 -2.811
66 HD11 ILE 6 HD1 ILE 6 27.835 3.290 -1.616
67 HD12 ILE 6 HD2 ILE 6 26.836 4.351 -2.640
68 HD13 ILE 6 HD3 ILE 6 26.123 3.555 -1.218
69 H VAL 7 HN VAL 7 27.771 9.302 -1.736
70 HA VAL 7 HA VAL 7 29.714 9.954 -3.635
71 HB VAL 7 HB VAL 7 27.993 11.933 -2.140
72 HG11 VAL 7 HG11 VAL 7 29.644 13.044 -3.533
73 HG12 VAL 7 HG12 VAL 7 28.079 13.133 -4.377
74 HG13 VAL 7 HG13 VAL 7 29.303 11.949 -4.894
75 HG21 VAL 7 HG21 VAL 7 27.355 10.298 -4.641
76 HG22 VAL 7 HG22 VAL 7 26.298 11.519 -3.892
77 HG23 VAL 7 HG23 VAL 7 26.670 10.012 -3.022
78 H ALA 8 HN ALA 8 29.517 10.555 -0.384
79 HA ALA 8 HA ALA 8 31.579 12.599 -0.185
80 HB1 ALA 8 HB1 ALA 8 30.650 10.732 2.017
81 HB2 ALA 8 HB2 ALA 8 29.729 12.163 1.496
82 HB3 ALA 8 HB3 ALA 8 31.361 12.354 2.182
83 H ASN 9 HN ASN 9 31.493 9.061 -0.015
84 HA ASN 9 HA ASN 9 34.128 8.706 1.063
85 HB2 ASN 9 HB2 ASN 9 32.607 6.885 -0.843
86 HB3 ASN 9 HB1 ASN 9 33.949 6.419 0.231
87 HD21 ASN 9 HD21 ASN 9 32.580 8.582 2.179
88 HD22 ASN 9 HD22 ASN 9 31.343 7.596 2.968
89 H LEU 10 HN LEU 10 32.937 9.500 -2.136
90 HA LEU 10 HA LEU 10 35.339 8.724 -3.566
91 HB2 LEU 10 HB2 LEU 10 33.358 10.875 -4.393
92 HB3 LEU 10 HB1 LEU 10 34.376 9.858 -5.438
93 HG LEU 10 HG LEU 10 32.101 8.863 -3.660
94 HD11 LEU 10 HD11 LEU 10 32.308 9.030 -6.698
95 HD12 LEU 10 HD12 LEU 10 31.421 10.195 -5.686
96 HD13 LEU 10 HD13 LEU 10 30.902 8.494 -5.750
97 HD21 LEU 10 HD21 LEU 10 33.682 7.080 -3.820
98 HD22 LEU 10 HD22 LEU 10 34.087 7.475 -5.510
99 HD23 LEU 10 HD23 LEU 10 32.511 6.746 -5.116
100 H LEU 11 HN LEU 11 34.240 11.641 -1.885
101 HA LEU 11 HA LEU 11 36.368 13.333 -2.910
102 HB2 LEU 11 HB2 LEU 11 34.884 13.721 -0.289
103 HB3 LEU 11 HB1 LEU 11 35.585 14.958 -1.360
104 HG LEU 11 HG LEU 11 33.206 13.157 -1.998
105 HD11 LEU 11 HD11 LEU 11 31.959 15.311 -1.987
106 HD12 LEU 11 HD12 LEU 11 33.446 16.157 -1.495
107 HD13 LEU 11 HD13 LEU 11 32.695 14.969 -0.404
108 HD21 LEU 11 HD21 LEU 11 33.073 14.781 -4.019
109 HD22 LEU 11 HD22 LEU 11 34.333 13.529 -4.073
110 HD23 LEU 11 HD23 LEU 11 34.760 15.202 -3.638
111 H LYS 12 HN LYS 12 35.800 12.091 0.418
112 HA LYS 12 HA LYS 12 38.340 12.690 1.447
113 HB2 LYS 12 HB2 LYS 12 36.523 10.326 2.060
114 HB3 LYS 12 HB1 LYS 12 37.921 10.807 3.052
115 HG2 LYS 12 HG2 LYS 12 36.894 13.090 3.299
116 HG3 LYS 12 HG1 LYS 12 35.454 12.491 2.439
117 HD2 LYS 12 HD2 LYS 12 35.128 10.754 4.165
118 HD3 LYS 12 HD1 LYS 12 36.581 11.324 5.022
119 HE2 LYS 12 HE2 LYS 12 35.500 13.584 5.243
120 HE3 LYS 12 HE1 LYS 12 34.022 12.903 4.522
121 HZ1 LYS 12 HZ1 LYS 12 35.126 11.369 6.717
122 HZ2 LYS 12 HZ2 LYS 12 33.518 11.815 6.398
123 HZ3 LYS 12 HZ3 LYS 12 34.573 12.912 7.153
124 H SER 13 HN SER 13 37.309 9.444 0.280
125 HA SER 13 HA SER 13 38.564 7.710 -0.610
126 HB2 SER 13 HB2 SER 13 40.429 9.898 -1.599
127 HB3 SER 13 HB1 SER 13 40.220 8.268 -2.277
128 HG SER 13 HG SER 13 38.490 10.497 -2.336
129 H LEU 14 HN LEU 14 40.671 6.558 -0.542
130 HA LEU 14 HA LEU 14 41.802 6.812 2.130
131 HB2 LEU 14 HB2 LEU 14 42.945 5.128 -0.123
132 HB3 LEU 14 HB1 LEU 14 42.982 4.818 1.630
133 HG LEU 14 HG LEU 14 40.523 4.769 -0.175
134 HD11 LEU 14 HD11 LEU 14 40.484 2.371 0.429
135 HD12 LEU 14 HD12 LEU 14 41.956 2.587 1.407
136 HD13 LEU 14 HD13 LEU 14 42.021 2.798 -0.360
137 HD21 LEU 14 HD21 LEU 14 40.866 4.533 2.845
138 HD22 LEU 14 HD22 LEU 14 39.446 3.871 1.999
139 HD23 LEU 14 HD23 LEU 14 39.781 5.616 1.942
140 H LEU 15 HN LEU 15 44.328 6.567 2.269
141 HA LEU 15 HA LEU 15 45.440 9.083 1.652
142 HB2 LEU 15 HB2 LEU 15 46.438 7.696 3.349
143 HB3 LEU 15 HB1 LEU 15 46.740 6.386 2.190
144 HG LEU 15 HG LEU 15 48.436 7.681 1.044
145 HD11 LEU 15 HD11 LEU 15 47.399 9.967 2.765
146 HD12 LEU 15 HD12 LEU 15 47.552 9.898 0.993
147 HD13 LEU 15 HD13 LEU 15 49.008 10.021 2.005
148 HD21 LEU 15 HD21 LEU 15 49.138 6.562 3.136
149 HD22 LEU 15 HD22 LEU 15 48.713 8.021 4.064
150 HD23 LEU 15 HD23 LEU 15 50.050 8.070 2.888
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 17.534 11.890 0.801
2 H2 LYS 1 HT2 LYS 1 18.627 11.316 -0.366
3 H3 LYS 1 HT3 LYS 1 17.829 12.798 -0.600
4 HA LYS 1 HA LYS 1 19.104 13.920 0.847
5 HB2 LYS 1 HB2 LYS 1 18.558 12.359 2.725
6 HB3 LYS 1 HB1 LYS 1 19.844 11.271 2.151
7 HG2 LYS 1 HG2 LYS 1 21.527 13.023 2.478
8 HG3 LYS 1 HG1 LYS 1 20.262 14.187 2.941
9 HD2 LYS 1 HD2 LYS 1 19.672 12.795 4.891
10 HD3 LYS 1 HD1 LYS 1 20.903 11.599 4.421
11 HE2 LYS 1 HE2 LYS 1 21.894 12.998 6.121
12 HE3 LYS 1 HE1 LYS 1 22.627 13.466 4.567
13 HZ1 LYS 1 HZ1 LYS 1 21.827 15.506 4.801
14 HZ2 LYS 1 HZ2 LYS 1 21.279 15.100 6.358
15 HZ3 LYS 1 HZ3 LYS 1 20.245 14.936 5.019
16 H LYS 2 HN LYS 2 21.083 14.657 0.311
17 HA LYS 2 HA LYS 2 22.717 12.918 -1.510
18 HB2 LYS 2 HB2 LYS 2 23.834 15.222 -1.968
19 HB3 LYS 2 HB1 LYS 2 22.174 14.977 -2.555
20 HG2 LYS 2 HG2 LYS 2 21.230 16.210 -0.729
21 HG3 LYS 2 HG1 LYS 2 22.772 16.216 0.160
22 HD2 LYS 2 HD2 LYS 2 23.788 17.581 -1.676
23 HD3 LYS 2 HD1 LYS 2 22.200 17.635 -2.480
24 HE2 LYS 2 HE2 LYS 2 22.681 18.597 0.371
25 HE3 LYS 2 HE1 LYS 2 22.719 19.666 -1.052
26 HZ1 LYS 2 HZ1 LYS 2 20.466 19.180 -1.522
27 HZ2 LYS 2 HZ2 LYS 2 20.533 19.524 0.140
28 HZ3 LYS 2 HZ3 LYS 2 20.408 17.916 -0.394
29 H LEU 3 HN LEU 3 25.149 14.141 -1.350
30 HA LEU 3 HA LEU 3 27.125 13.963 -0.158
31 HB2 LEU 3 HB2 LEU 3 25.420 14.559 2.296
32 HB3 LEU 3 HB1 LEU 3 27.172 14.793 2.128
33 HG LEU 3 HG LEU 3 25.127 16.207 0.360
34 HD11 LEU 3 HD11 LEU 3 24.794 16.809 2.753
35 HD12 LEU 3 HD12 LEU 3 25.440 18.173 1.809
36 HD13 LEU 3 HD13 LEU 3 26.518 17.236 2.871
37 HD21 LEU 3 HD21 LEU 3 28.115 16.524 0.882
38 HD22 LEU 3 HD22 LEU 3 27.139 17.811 0.137
39 HD23 LEU 3 HD23 LEU 3 27.294 16.236 -0.670
40 H LEU 4 HN LEU 4 24.780 11.797 -0.170
41 HA LEU 4 HA LEU 4 24.997 10.096 2.013
42 HB2 LEU 4 HB2 LEU 4 25.069 9.211 -0.896
43 HB3 LEU 4 HB1 LEU 4 24.537 8.230 0.486
44 HG LEU 4 HG LEU 4 23.237 10.858 -0.369
45 HD11 LEU 4 HD11 LEU 4 22.386 7.965 -0.847
46 HD12 LEU 4 HD12 LEU 4 22.962 9.104 -2.087
47 HD13 LEU 4 HD13 LEU 4 21.420 9.404 -1.250
48 HD21 LEU 4 HD21 LEU 4 21.339 9.770 1.094
49 HD22 LEU 4 HD22 LEU 4 22.707 10.540 1.924
50 HD23 LEU 4 HD23 LEU 4 22.644 8.768 1.769
51 HA PRO 5 HA PRO 5 29.168 8.689 2.712
52 HB2 PRO 5 HB2 PRO 5 27.988 5.931 2.251
53 HB3 PRO 5 HB1 PRO 5 29.139 6.475 3.515
54 HG2 PRO 5 HG2 PRO 5 26.525 6.178 4.045
55 HG3 PRO 5 HG1 PRO 5 27.480 7.510 4.767
56 HD2 PRO 5 HD2 PRO 5 25.386 7.644 2.626
57 HD3 PRO 5 HD1 PRO 5 25.960 8.922 3.750
58 H ILE 6 HN ILE 6 27.275 7.383 0.008
59 HA ILE 6 HA ILE 6 29.535 6.356 -1.472
60 HB ILE 6 HB ILE 6 26.899 7.306 -2.668
61 HG12 ILE 6 HG12 ILE 6 27.554 4.696 -1.223
62 HG13 ILE 6 HG11 ILE 6 26.381 5.928 -0.704
63 HG21 ILE 6 HG21 ILE 6 27.350 5.679 -4.370
64 HG22 ILE 6 HG22 ILE 6 28.647 4.925 -3.413
65 HG23 ILE 6 HG23 ILE 6 28.886 6.540 -4.120
66 HD11 ILE 6 HD1 ILE 6 25.049 4.276 -1.768
67 HD12 ILE 6 HD2 ILE 6 26.223 4.048 -3.083
68 HD13 ILE 6 HD3 ILE 6 25.241 5.532 -3.013
69 H VAL 7 HN VAL 7 27.564 9.346 -1.818
70 HA VAL 7 HA VAL 7 29.030 10.466 -3.931
71 HB VAL 7 HB VAL 7 27.774 11.976 -1.639
72 HG11 VAL 7 HG11 VAL 7 27.412 13.701 -3.485
73 HG12 VAL 7 HG12 VAL 7 28.484 12.716 -4.509
74 HG13 VAL 7 HG13 VAL 7 29.109 13.451 -3.013
75 HG21 VAL 7 HG21 VAL 7 26.248 10.284 -2.725
76 HG22 VAL 7 HG22 VAL 7 26.514 11.108 -4.280
77 HG23 VAL 7 HG23 VAL 7 25.709 11.967 -2.946
78 H ALA 8 HN ALA 8 29.615 10.246 -0.679
79 HA ALA 8 HA ALA 8 31.783 12.200 -0.513
80 HB1 ALA 8 HB1 ALA 8 30.471 11.686 1.463
81 HB2 ALA 8 HB2 ALA 8 32.161 11.198 1.736
82 HB3 ALA 8 HB3 ALA 8 30.927 9.970 1.362
83 H ASN 9 HN ASN 9 31.519 8.680 -0.947
84 HA ASN 9 HA ASN 9 34.186 7.925 -0.522
85 HB2 ASN 9 HB2 ASN 9 32.327 6.359 -1.032
86 HB3 ASN 9 HB1 ASN 9 32.340 6.919 -2.722
87 HD21 ASN 9 HD21 ASN 9 34.394 6.557 -3.989
88 HD22 ASN 9 HD22 ASN 9 35.433 5.204 -3.531
89 H LEU 10 HN LEU 10 32.779 9.719 -3.207
90 HA LEU 10 HA LEU 10 34.971 9.344 -5.042
91 HB2 LEU 10 HB2 LEU 10 33.186 11.797 -4.915
92 HB3 LEU 10 HB1 LEU 10 33.965 11.065 -6.338
93 HG LEU 10 HG LEU 10 31.705 9.869 -4.674
94 HD11 LEU 10 HD11 LEU 10 31.819 10.677 -7.612
95 HD12 LEU 10 HD12 LEU 10 31.148 11.703 -6.321
96 HD13 LEU 10 HD13 LEU 10 30.389 10.138 -6.701
97 HD21 LEU 10 HD21 LEU 10 33.424 8.722 -6.914
98 HD22 LEU 10 HD22 LEU 10 31.790 8.101 -6.572
99 HD23 LEU 10 HD23 LEU 10 33.056 8.007 -5.327
100 H LEU 11 HN LEU 11 34.213 11.876 -2.623
101 HA LEU 11 HA LEU 11 36.553 13.460 -3.249
102 HB2 LEU 11 HB2 LEU 11 34.632 13.325 -0.902
103 HB3 LEU 11 HB1 LEU 11 36.057 14.391 -0.860
104 HG LEU 11 HG LEU 11 35.314 15.528 -2.902
105 HD11 LEU 11 HD11 LEU 11 34.232 13.823 -4.170
106 HD12 LEU 11 HD12 LEU 11 32.926 14.944 -3.725
107 HD13 LEU 11 HD13 LEU 11 33.126 13.414 -2.837
108 HD21 LEU 11 HD21 LEU 11 34.439 16.249 -0.655
109 HD22 LEU 11 HD22 LEU 11 32.999 15.241 -0.933
110 HD23 LEU 11 HD23 LEU 11 33.329 16.633 -1.991
111 H LYS 12 HN LYS 12 36.265 12.626 0.103
112 HA LYS 12 HA LYS 12 38.491 10.665 0.011
113 HB2 LYS 12 HB2 LYS 12 38.753 13.391 1.346
114 HB3 LYS 12 HB1 LYS 12 39.868 12.026 1.592
115 HG2 LYS 12 HG2 LYS 12 40.181 12.004 -0.961
116 HG3 LYS 12 HG1 LYS 12 39.335 13.569 -0.978
117 HD2 LYS 12 HD2 LYS 12 41.016 14.538 0.520
118 HD3 LYS 12 HD1 LYS 12 41.836 12.964 0.658
119 HE2 LYS 12 HE2 LYS 12 42.996 14.390 -0.985
120 HE3 LYS 12 HE1 LYS 12 42.261 12.984 -1.794
121 HZ1 LYS 12 HZ1 LYS 12 41.821 15.039 -2.996
122 HZ2 LYS 12 HZ2 LYS 12 41.073 15.712 -1.628
123 HZ3 LYS 12 HZ3 LYS 12 40.378 14.371 -2.407
124 H SER 13 HN SER 13 36.350 9.643 0.756
125 HA SER 13 HA SER 13 35.476 10.278 3.464
126 HB2 SER 13 HB2 SER 13 34.056 9.195 1.666
127 HB3 SER 13 HB1 SER 13 35.013 7.715 1.896
128 HG SER 13 HG SER 13 34.282 8.627 4.287
129 H LEU 14 HN LEU 14 35.205 7.784 4.645
130 HA LEU 14 HA LEU 14 37.713 6.359 4.756
131 HB2 LEU 14 HB2 LEU 14 38.616 7.106 6.833
132 HB3 LEU 14 HB1 LEU 14 38.315 8.569 5.872
133 HG LEU 14 HG LEU 14 36.617 7.476 8.161
134 HD11 LEU 14 HD11 LEU 14 38.681 8.788 8.713
135 HD12 LEU 14 HD12 LEU 14 37.182 9.600 9.225
136 HD13 LEU 14 HD13 LEU 14 38.035 10.144 7.760
137 HD21 LEU 14 HD21 LEU 14 36.053 9.651 6.102
138 HD22 LEU 14 HD22 LEU 14 35.268 9.639 7.699
139 HD23 LEU 14 HD23 LEU 14 35.013 8.285 6.576
140 H LEU 15 HN LEU 15 37.778 5.059 6.974
141 HA LEU 15 HA LEU 15 35.236 3.606 7.022
142 HB2 LEU 15 HB2 LEU 15 37.890 3.313 8.467
143 HB3 LEU 15 HB1 LEU 15 36.501 2.280 8.856
144 HG LEU 15 HG LEU 15 38.175 1.335 7.166
145 HD11 LEU 15 HD11 LEU 15 35.412 1.588 5.916
146 HD12 LEU 15 HD12 LEU 15 35.670 0.667 7.414
147 HD13 LEU 15 HD13 LEU 15 36.515 0.198 5.924
148 HD21 LEU 15 HD21 LEU 15 36.856 3.291 5.236
149 HD22 LEU 15 HD22 LEU 15 38.186 2.160 4.907
150 HD23 LEU 15 HD23 LEU 15 38.456 3.562 5.967
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 18.533 12.084 -4.109
2 H2 LYS 1 HT2 LYS 1 18.452 13.629 -4.812
3 H3 LYS 1 HT3 LYS 1 17.399 13.211 -3.546
4 HA LYS 1 HA LYS 1 19.956 14.340 -3.433
5 HB2 LYS 1 HB2 LYS 1 17.888 13.520 -1.357
6 HB3 LYS 1 HB1 LYS 1 19.332 14.499 -1.004
7 HG2 LYS 1 HG2 LYS 1 18.596 16.204 -2.625
8 HG3 LYS 1 HG1 LYS 1 17.169 15.221 -3.030
9 HD2 LYS 1 HD2 LYS 1 16.278 15.454 -0.793
10 HD3 LYS 1 HD1 LYS 1 17.783 16.212 -0.215
11 HE2 LYS 1 HE2 LYS 1 17.400 18.097 -1.829
12 HE3 LYS 1 HE1 LYS 1 15.839 17.362 -2.264
13 HZ1 LYS 1 HZ1 LYS 1 16.024 17.508 0.536
14 HZ2 LYS 1 HZ2 LYS 1 14.935 18.308 -0.494
15 HZ3 LYS 1 HZ3 LYS 1 16.420 19.032 -0.093
16 H LYS 2 HN LYS 2 20.991 12.229 -4.327
17 HA LYS 2 HA LYS 2 21.371 10.082 -2.377
18 HB2 LYS 2 HB2 LYS 2 23.064 9.266 -4.008
19 HB3 LYS 2 HB1 LYS 2 21.496 9.614 -4.777
20 HG2 LYS 2 HG2 LYS 2 22.358 11.854 -5.466
21 HG3 LYS 2 HG1 LYS 2 23.938 11.445 -4.756
22 HD2 LYS 2 HD2 LYS 2 24.221 9.590 -6.302
23 HD3 LYS 2 HD1 LYS 2 22.569 9.806 -6.930
24 HE2 LYS 2 HE2 LYS 2 23.151 12.019 -7.809
25 HE3 LYS 2 HE1 LYS 2 24.781 11.899 -7.102
26 HZ1 LYS 2 HZ1 LYS 2 24.421 11.273 -9.567
27 HZ2 LYS 2 HZ2 LYS 2 23.804 9.814 -8.951
28 HZ3 LYS 2 HZ3 LYS 2 25.400 10.279 -8.602
29 H LEU 3 HN LEU 3 21.945 12.628 -1.257
30 HA LEU 3 HA LEU 3 24.813 13.063 -1.235
31 HB2 LEU 3 HB2 LEU 3 22.892 13.827 0.993
32 HB3 LEU 3 HB1 LEU 3 24.386 14.650 0.482
33 HG LEU 3 HG LEU 3 21.794 14.443 -1.115
34 HD11 LEU 3 HD11 LEU 3 23.227 16.789 0.211
35 HD12 LEU 3 HD12 LEU 3 21.703 16.048 0.756
36 HD13 LEU 3 HD13 LEU 3 21.766 16.914 -0.797
37 HD21 LEU 3 HD21 LEU 3 23.075 16.117 -2.617
38 HD22 LEU 3 HD22 LEU 3 23.577 14.414 -2.716
39 HD23 LEU 3 HD23 LEU 3 24.546 15.576 -1.775
40 H LEU 4 HN LEU 4 23.125 10.428 -0.352
41 HA LEU 4 HA LEU 4 24.002 9.863 2.301
42 HB2 LEU 4 HB2 LEU 4 23.641 7.822 0.080
43 HB3 LEU 4 HB1 LEU 4 23.432 7.573 1.827
44 HG LEU 4 HG LEU 4 21.721 9.364 0.045
45 HD11 LEU 4 HD11 LEU 4 21.309 6.948 -0.254
46 HD12 LEU 4 HD12 LEU 4 19.945 7.715 0.594
47 HD13 LEU 4 HD13 LEU 4 21.132 6.751 1.506
48 HD21 LEU 4 HD21 LEU 4 20.296 9.395 2.238
49 HD22 LEU 4 HD22 LEU 4 21.734 10.435 2.170
50 HD23 LEU 4 HD23 LEU 4 21.796 8.889 3.052
51 HA PRO 5 HA PRO 5 28.408 9.172 2.225
52 HB2 PRO 5 HB2 PRO 5 27.717 6.374 3.172
53 HB3 PRO 5 HB1 PRO 5 28.992 7.489 3.760
54 HG2 PRO 5 HG2 PRO 5 26.701 7.209 5.097
55 HG3 PRO 5 HG1 PRO 5 27.475 8.815 4.922
56 HD2 PRO 5 HD2 PRO 5 25.008 7.750 3.576
57 HD3 PRO 5 HD1 PRO 5 25.459 9.439 3.977
58 H ILE 6 HN ILE 6 28.223 9.242 -0.194
59 HA ILE 6 HA ILE 6 29.314 6.727 -1.325
60 HB ILE 6 HB ILE 6 26.949 8.071 -2.715
61 HG12 ILE 6 HG12 ILE 6 27.024 5.554 -0.983
62 HG13 ILE 6 HG11 ILE 6 26.086 7.032 -0.672
63 HG21 ILE 6 HG21 ILE 6 28.179 5.318 -3.162
64 HG22 ILE 6 HG22 ILE 6 28.746 6.766 -4.026
65 HG23 ILE 6 HG23 ILE 6 27.071 6.211 -4.230
66 HD11 ILE 6 HD1 ILE 6 25.661 4.938 -2.825
67 HD12 ILE 6 HD2 ILE 6 24.993 6.579 -2.998
68 HD13 ILE 6 HD3 ILE 6 24.500 5.555 -1.628
69 H VAL 7 HN VAL 7 27.878 9.802 -2.517
70 HA VAL 7 HA VAL 7 29.876 10.262 -4.457
71 HB VAL 7 HB VAL 7 28.302 12.362 -2.962
72 HG11 VAL 7 HG11 VAL 7 28.519 13.568 -5.193
73 HG12 VAL 7 HG12 VAL 7 29.663 12.298 -5.690
74 HG13 VAL 7 HG13 VAL 7 30.051 13.357 -4.312
75 HG21 VAL 7 HG21 VAL 7 26.824 10.587 -3.875
76 HG22 VAL 7 HG22 VAL 7 27.572 10.791 -5.477
77 HG23 VAL 7 HG23 VAL 7 26.616 12.113 -4.766
78 H ALA 8 HN ALA 8 29.675 10.837 -1.202
79 HA ALA 8 HA ALA 8 31.938 12.670 -0.958
80 HB1 ALA 8 HB1 ALA 8 30.055 12.592 0.670
81 HB2 ALA 8 HB2 ALA 8 31.647 12.390 1.439
82 HB3 ALA 8 HB3 ALA 8 30.597 10.976 1.179
83 H ASN 9 HN ASN 9 31.381 9.185 -0.339
84 HA ASN 9 HA ASN 9 33.882 8.503 0.726
85 HB2 ASN 9 HB2 ASN 9 32.095 6.975 -1.204
86 HB3 ASN 9 HB1 ASN 9 33.510 6.259 -0.395
87 HD21 ASN 9 HD21 ASN 9 30.594 8.257 0.504
88 HD22 ASN 9 HD22 ASN 9 30.281 7.358 1.994
89 H LEU 10 HN LEU 10 33.074 9.549 -2.494
90 HA LEU 10 HA LEU 10 35.449 8.461 -3.772
91 HB2 LEU 10 HB2 LEU 10 33.143 9.299 -4.778
92 HB3 LEU 10 HB1 LEU 10 33.937 10.881 -4.794
93 HG LEU 10 HG LEU 10 34.304 9.923 -6.954
94 HD11 LEU 10 HD11 LEU 10 36.697 9.870 -7.113
95 HD12 LEU 10 HD12 LEU 10 36.874 9.341 -5.426
96 HD13 LEU 10 HD13 LEU 10 36.292 10.982 -5.789
97 HD21 LEU 10 HD21 LEU 10 33.850 7.490 -6.043
98 HD22 LEU 10 HD22 LEU 10 35.612 7.420 -5.821
99 HD23 LEU 10 HD23 LEU 10 34.932 7.704 -7.434
100 H LEU 11 HN LEU 11 34.464 11.810 -2.901
101 HA LEU 11 HA LEU 11 37.057 12.940 -3.375
102 HB2 LEU 11 HB2 LEU 11 34.630 13.806 -1.770
103 HB3 LEU 11 HB1 LEU 11 36.119 14.778 -1.768
104 HG LEU 11 HG LEU 11 36.028 15.015 -4.199
105 HD11 LEU 11 HD11 LEU 11 35.137 12.928 -4.948
106 HD12 LEU 11 HD12 LEU 11 33.900 14.132 -5.370
107 HD13 LEU 11 HD13 LEU 11 33.678 13.095 -3.941
108 HD21 LEU 11 HD21 LEU 11 33.298 15.523 -2.927
109 HD22 LEU 11 HD22 LEU 11 33.937 16.327 -4.381
110 HD23 LEU 11 HD23 LEU 11 34.711 16.597 -2.801
111 H LYS 12 HN LYS 12 35.522 12.855 -0.146
112 HA LYS 12 HA LYS 12 37.874 13.051 1.345
113 HB2 LYS 12 HB2 LYS 12 35.402 11.432 2.078
114 HB3 LYS 12 HB1 LYS 12 36.613 12.079 3.211
115 HG2 LYS 12 HG2 LYS 12 36.078 14.383 2.474
116 HG3 LYS 12 HG1 LYS 12 34.864 13.740 1.342
117 HD2 LYS 12 HD2 LYS 12 33.532 12.853 3.162
118 HD3 LYS 12 HD1 LYS 12 34.805 13.236 4.347
119 HE2 LYS 12 HE2 LYS 12 34.507 15.618 4.001
120 HE3 LYS 12 HE1 LYS 12 33.397 15.331 2.639
121 HZ1 LYS 12 HZ1 LYS 12 32.610 13.981 5.054
122 HZ2 LYS 12 HZ2 LYS 12 31.702 14.979 4.022
123 HZ3 LYS 12 HZ3 LYS 12 32.669 15.666 5.238
124 H SER 13 HN SER 13 36.093 9.946 1.054
125 HA SER 13 HA SER 13 36.888 7.768 1.015
126 HB2 SER 13 HB2 SER 13 37.870 8.674 -1.154
127 HB3 SER 13 HB1 SER 13 39.392 8.916 -0.269
128 HG SER 13 HG SER 13 39.223 6.857 -1.343
129 H LEU 14 HN LEU 14 37.182 7.165 3.097
130 HA LEU 14 HA LEU 14 39.317 8.182 4.756
131 HB2 LEU 14 HB2 LEU 14 37.431 5.809 4.943
132 HB3 LEU 14 HB1 LEU 14 38.694 6.086 6.164
133 HG LEU 14 HG LEU 14 37.786 8.357 6.586
134 HD11 LEU 14 HD11 LEU 14 36.791 9.015 4.529
135 HD12 LEU 14 HD12 LEU 14 35.405 8.759 5.610
136 HD13 LEU 14 HD13 LEU 14 35.834 7.520 4.407
137 HD21 LEU 14 HD21 LEU 14 35.699 6.132 6.720
138 HD22 LEU 14 HD22 LEU 14 35.689 7.623 7.693
139 HD23 LEU 14 HD23 LEU 14 36.985 6.423 7.916
140 H LEU 15 HN LEU 15 38.874 5.204 2.832
141 HA LEU 15 HA LEU 15 41.497 4.147 3.595
142 HB2 LEU 15 HB2 LEU 15 39.843 3.272 1.204
143 HB3 LEU 15 HB1 LEU 15 40.964 2.309 2.195
144 HG LEU 15 HG LEU 15 38.278 3.454 3.082
145 HD11 LEU 15 HD11 LEU 15 37.563 1.144 3.175
146 HD12 LEU 15 HD12 LEU 15 39.210 0.563 2.837
147 HD13 LEU 15 HD13 LEU 15 38.289 1.413 1.573
148 HD21 LEU 15 HD21 LEU 15 40.494 1.995 4.583
149 HD22 LEU 15 HD22 LEU 15 38.810 2.012 5.162
150 HD23 LEU 15 HD23 LEU 15 39.710 3.538 5.003