Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649961 | 6ryq RC | 34411 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 HT1 TRP 1 44.153 9.454 15.391
2 H2 TRP 1 HT2 TRP 1 44.060 7.950 16.177
3 H3 TRP 1 HT3 TRP 1 42.827 9.102 16.386
4 HA TRP 1 HA TRP 1 43.350 8.390 13.657
5 HB2 TRP 1 HB2 TRP 1 42.160 6.220 13.847
6 HB3 TRP 1 HB1 TRP 1 43.716 6.202 14.710
7 HD1 TRP 1 HD1 TRP 1 39.971 6.026 15.253
8 HE1 TRP 1 HE1 TRP 1 39.452 5.491 17.745
9 HE3 TRP 1 HE3 TRP 1 44.682 6.544 17.188
10 HZ2 TRP 1 HZ2 TRP 1 40.911 5.319 20.220
11 HZ3 TRP 1 HZ3 TRP 1 45.096 6.190 19.618
12 HH2 TRP 1 HH2 TRP 1 43.216 5.579 21.135
13 H LEU 2 HN LEU 2 41.752 9.298 12.547
14 HA LEU 2 HA LEU 2 39.528 10.539 13.931
15 HB2 LEU 2 HB2 LEU 2 39.698 10.029 10.943
16 HB3 LEU 2 HB1 LEU 2 38.874 11.358 11.795
17 HG LEU 2 HG LEU 2 41.889 10.894 11.667
18 HD11 LEU 2 HD11 LEU 2 40.756 11.753 9.577
19 HD12 LEU 2 HD12 LEU 2 41.926 12.894 10.285
20 HD13 LEU 2 HD13 LEU 2 40.180 13.146 10.523
21 HD21 LEU 2 HD21 LEU 2 40.157 12.926 13.137
22 HD22 LEU 2 HD22 LEU 2 41.859 13.258 12.735
23 HD23 LEU 2 HD23 LEU 2 41.447 11.893 13.797
24 H ARG 3 HN ARG 3 39.420 8.208 11.230
25 HA ARG 3 HA ARG 3 37.451 6.532 12.697
26 HB2 ARG 3 HB2 ARG 3 36.149 8.355 11.494
27 HB3 ARG 3 HB1 ARG 3 36.791 7.707 9.966
28 HG2 ARG 3 HG2 ARG 3 35.781 5.520 10.423
29 HG3 ARG 3 HG1 ARG 3 35.213 6.086 12.012
30 HD2 ARG 3 HD2 ARG 3 33.343 6.248 10.492
31 HD3 ARG 3 HD1 ARG 3 33.921 7.905 10.788
32 HE ARG 3 HE ARG 3 35.261 6.872 8.483
33 HH11 ARG 3 HH11 ARG 3 33.026 9.117 9.372
34 HH12 ARG 3 HH12 ARG 3 32.079 9.055 7.924
35 HH21 ARG 3 HH21 ARG 3 33.664 6.226 6.694
36 HH22 ARG 3 HH22 ARG 3 32.441 7.419 6.408
37 H ARG 4 HN ARG 4 39.851 7.185 10.361
38 HA ARG 4 HA ARG 4 40.442 4.370 10.020
39 HB2 ARG 4 HB2 ARG 4 38.443 4.912 8.398
40 HB3 ARG 4 HB1 ARG 4 39.666 5.765 7.432
41 HG2 ARG 4 HG2 ARG 4 41.038 3.676 7.367
42 HG3 ARG 4 HG1 ARG 4 39.767 2.834 8.286
43 HD2 ARG 4 HD2 ARG 4 39.332 4.206 5.598
44 HD3 ARG 4 HD1 ARG 4 39.606 2.460 5.806
45 HE ARG 4 HE ARG 4 37.113 3.853 6.307
46 HH11 ARG 4 HH11 ARG 4 39.154 1.205 7.137
47 HH12 ARG 4 HH12 ARG 4 37.894 0.301 7.907
48 HH21 ARG 4 HH21 ARG 4 35.473 2.731 7.397
49 HH22 ARG 4 HH22 ARG 4 35.810 1.164 8.054
50 H ILE 5 HN ILE 5 41.340 7.355 10.525
51 HA ILE 5 HA ILE 5 43.319 8.529 10.251
52 HB ILE 5 HB ILE 5 44.530 5.995 9.068
53 HG12 ILE 5 HG12 ILE 5 44.057 6.740 11.992
54 HG13 ILE 5 HG11 ILE 5 43.319 5.377 11.117
55 HG21 ILE 5 HG21 ILE 5 45.785 8.247 9.118
56 HG22 ILE 5 HG22 ILE 5 46.600 6.871 9.896
57 HG23 ILE 5 HG23 ILE 5 45.773 8.095 10.890
58 HD11 ILE 5 HD1 ILE 5 45.765 4.607 10.653
59 HD12 ILE 5 HD2 ILE 5 45.127 4.393 12.301
60 HD13 ILE 5 HD3 ILE 5 46.218 5.751 11.941
61 H GLY 6 HN GLY 6 43.251 10.085 8.771
62 HA2 GLY 6 HA1 GLY 6 43.583 11.114 6.717
63 HA3 GLY 6 HA2 GLY 6 44.207 9.578 6.084
64 H LYS 7 HN LYS 7 41.035 10.567 7.434
65 HA LYS 7 HA LYS 7 39.555 8.991 5.550
66 HB2 LYS 7 HB2 LYS 7 38.634 9.716 7.714
67 HB3 LYS 7 HB1 LYS 7 38.690 11.413 7.178
68 HG2 LYS 7 HG2 LYS 7 37.028 11.049 5.496
69 HG3 LYS 7 HG1 LYS 7 37.170 9.279 5.625
70 HD2 LYS 7 HD2 LYS 7 35.125 10.075 6.763
71 HD3 LYS 7 HD1 LYS 7 36.266 9.377 7.935
72 HE2 LYS 7 HE2 LYS 7 36.924 11.518 8.743
73 HE3 LYS 7 HE1 LYS 7 36.223 12.358 7.337
74 HZ1 LYS 7 HZ1 LYS 7 34.353 10.740 8.847
75 HZ2 LYS 7 HZ2 LYS 7 34.188 12.317 8.237
76 HZ3 LYS 7 HZ3 LYS 7 34.992 12.052 9.709
77 H GLY 8 HN GLY 8 39.134 12.525 5.799
78 HA2 GLY 8 HA1 GLY 8 38.486 12.711 2.987
79 HA3 GLY 8 HA2 GLY 8 38.700 14.063 4.118
80 H VAL 9 HN VAL 9 39.705 13.133 1.259
81 HA VAL 9 HA VAL 9 42.588 13.113 1.545
82 HB VAL 9 HB VAL 9 40.878 13.780 -0.896
83 HG11 VAL 9 HG11 VAL 9 43.128 14.578 -1.261
84 HG12 VAL 9 HG12 VAL 9 43.009 13.008 -2.087
85 HG13 VAL 9 HG13 VAL 9 43.830 13.125 -0.513
86 HG21 VAL 9 HG21 VAL 9 42.191 11.178 0.006
87 HG22 VAL 9 HG22 VAL 9 41.271 11.420 -1.499
88 HG23 VAL 9 HG23 VAL 9 40.447 11.528 0.075
89 H LYS 10 HN LYS 10 41.149 15.498 -0.623
90 HA LYS 10 HA LYS 10 41.591 17.794 1.045
91 HB2 LYS 10 HB2 LYS 10 43.961 17.214 0.843
92 HB3 LYS 10 HB1 LYS 10 43.812 17.083 -0.921
93 HG2 LYS 10 HG2 LYS 10 44.847 19.237 -0.184
94 HG3 LYS 10 HG1 LYS 10 43.350 19.485 -1.105
95 HD2 LYS 10 HD2 LYS 10 42.106 20.070 0.832
96 HD3 LYS 10 HD1 LYS 10 43.289 19.324 1.932
97 HE2 LYS 10 HE2 LYS 10 43.355 21.857 1.885
98 HE3 LYS 10 HE1 LYS 10 44.904 21.078 1.488
99 HZ1 LYS 10 HZ1 LYS 10 44.654 21.551 -0.755
100 HZ2 LYS 10 HZ2 LYS 10 44.055 22.959 -0.014
101 HZ3 LYS 10 HZ3 LYS 10 42.980 21.801 -0.638
102 H ILE 11 HN ILE 11 40.934 16.182 -1.921
103 HA ILE 11 HA ILE 11 39.670 18.689 -3.008
104 HB ILE 11 HB ILE 11 41.106 16.646 -4.747
105 HG12 ILE 11 HG12 ILE 11 42.131 19.311 -3.662
106 HG13 ILE 11 HG11 ILE 11 42.771 17.698 -3.267
107 HG21 ILE 11 HG21 ILE 11 40.825 18.270 -6.490
108 HG22 ILE 11 HG22 ILE 11 40.372 19.546 -5.335
109 HG23 ILE 11 HG23 ILE 11 39.256 18.198 -5.658
110 HD11 ILE 11 HD1 ILE 11 43.137 17.432 -5.833
111 HD12 ILE 11 HD2 ILE 11 44.244 18.504 -4.944
112 HD13 ILE 11 HD3 ILE 11 42.916 19.197 -5.903
113 H ILE 12 HN ILE 12 39.961 15.129 -3.169
114 HA ILE 12 HA ILE 12 37.245 14.939 -4.372
115 HB ILE 12 HB ILE 12 39.276 12.816 -3.596
116 HG12 ILE 12 HG12 ILE 12 38.573 13.891 -6.372
117 HG13 ILE 12 HG11 ILE 12 39.963 14.457 -5.420
118 HG21 ILE 12 HG21 ILE 12 36.586 12.716 -5.020
119 HG22 ILE 12 HG22 ILE 12 37.178 11.701 -3.685
120 HG23 ILE 12 HG23 ILE 12 37.815 11.468 -5.320
121 HD11 ILE 12 HD1 ILE 12 39.555 11.815 -6.824
122 HD12 ILE 12 HD2 ILE 12 40.492 11.800 -5.312
123 HD13 ILE 12 HD3 ILE 12 41.022 12.804 -6.678
124 H GLY 13 HN GLY 13 38.456 12.494 -2.142
125 HA2 GLY 13 HA1 GLY 13 36.068 12.495 -0.579
126 HA3 GLY 13 HA2 GLY 13 37.629 11.792 -0.091
127 H GLY 14 HN GLY 14 38.422 14.689 -1.009
128 HA2 GLY 14 HA1 GLY 14 38.528 15.817 1.722
129 HA3 GLY 14 HA2 GLY 14 39.313 16.458 0.260
130 H ALA 15 HN ALA 15 37.254 16.673 -1.557
131 HA ALA 15 HA ALA 15 35.709 18.918 -0.311
132 HB1 ALA 15 HB1 ALA 15 35.057 19.479 -2.542
133 HB2 ALA 15 HB2 ALA 15 35.562 17.892 -3.167
134 HB3 ALA 15 HB3 ALA 15 36.784 19.066 -2.613
135 H ALA 16 HN ALA 16 35.412 16.056 0.397
136 HA ALA 16 HA ALA 16 33.639 14.741 1.072
137 HB1 ALA 16 HB1 ALA 16 31.449 15.563 1.119
138 HB2 ALA 16 HB2 ALA 16 31.635 16.460 -0.407
139 HB3 ALA 16 HB3 ALA 16 32.404 17.063 1.080
140 H LEU 17 HN LEU 17 35.185 14.012 -1.061
141 HA LEU 17 HA LEU 17 35.143 12.580 -2.894
142 HB2 LEU 17 HB2 LEU 17 32.183 12.138 -2.336
143 HB3 LEU 17 HB1 LEU 17 33.290 11.057 -3.200
144 HG LEU 17 HG LEU 17 33.849 11.805 -0.304
145 HD11 LEU 17 HD11 LEU 17 32.631 9.689 0.327
146 HD12 LEU 17 HD12 LEU 17 31.962 9.645 -1.321
147 HD13 LEU 17 HD13 LEU 17 31.565 10.998 -0.235
148 HD21 LEU 17 HD21 LEU 17 35.526 10.556 -1.804
149 HD22 LEU 17 HD22 LEU 17 34.361 9.216 -1.834
150 HD23 LEU 17 HD23 LEU 17 35.085 9.732 -0.292
151 H ASP 18 HN ASP 18 34.464 15.449 -3.147
152 HA ASP 18 HA ASP 18 33.699 16.915 -4.777
153 HB2 ASP 18 HB2 ASP 18 34.089 14.398 -6.441
154 HB3 ASP 18 HB1 ASP 18 33.693 15.983 -7.145
155 H HIS 19 HN HIS 19 31.652 16.480 -3.307
156 HA HIS 19 HA HIS 19 29.341 16.220 -3.209
157 HB2 HIS 19 HB2 HIS 19 29.492 16.910 -6.168
158 HB3 HIS 19 HB1 HIS 19 28.112 17.166 -5.073
159 HD1 HIS 19 HD1 HIS 19 29.200 18.499 -2.667
160 HD2 HIS 19 HD2 HIS 19 30.622 19.403 -6.518
161 HE1 HIS 19 HE1 HIS 19 30.323 20.791 -2.544
162 H LEU 20 HN LEU 20 30.616 13.782 -3.442
163 HA LEU 20 HA LEU 20 30.246 11.578 -4.068
164 HB2 LEU 20 HB2 LEU 20 27.468 12.786 -4.287
165 HB3 LEU 20 HB1 LEU 20 27.758 11.058 -4.601
166 HG LEU 20 HG LEU 20 28.675 10.752 -2.359
167 HD11 LEU 20 HD11 LEU 20 28.394 13.779 -2.219
168 HD12 LEU 20 HD12 LEU 20 29.828 12.778 -1.887
169 HD13 LEU 20 HD13 LEU 20 28.467 12.783 -0.745
170 HD21 LEU 20 HD21 LEU 20 26.221 10.621 -2.624
171 HD22 LEU 20 HD22 LEU 20 26.086 12.372 -2.325
172 HD23 LEU 20 HD23 LEU 20 26.641 11.287 -1.027
Start of MODEL 2
1 H1 TRP 1 HT1 TRP 1 32.149 -2.154 -0.529
2 H2 TRP 1 HT2 TRP 1 33.707 -2.142 -1.207
3 H3 TRP 1 HT3 TRP 1 32.530 -1.044 -1.752
4 HA TRP 1 HA TRP 1 32.874 0.376 -0.128
5 HB2 TRP 1 HB2 TRP 1 33.516 -1.871 1.812
6 HB3 TRP 1 HB1 TRP 1 32.959 -0.220 2.176
7 HD1 TRP 1 HD1 TRP 1 30.537 0.113 0.318
8 HE1 TRP 1 HE1 TRP 1 28.367 -1.292 0.596
9 HE3 TRP 1 HE3 TRP 1 32.472 -3.856 2.908
10 HZ2 TRP 1 HZ2 TRP 1 27.608 -3.801 1.791
11 HZ3 TRP 1 HZ3 TRP 1 31.007 -5.744 3.607
12 HH2 TRP 1 HH2 TRP 1 28.578 -5.720 3.051
13 H LEU 2 HN LEU 2 34.655 1.523 -0.453
14 HA LEU 2 HA LEU 2 37.181 0.473 -1.123
15 HB2 LEU 2 HB2 LEU 2 36.294 3.116 0.068
16 HB3 LEU 2 HB1 LEU 2 38.014 2.794 -0.252
17 HG LEU 2 HG LEU 2 37.461 2.288 -2.628
18 HD11 LEU 2 HD11 LEU 2 34.654 2.965 -1.665
19 HD12 LEU 2 HD12 LEU 2 35.201 1.519 -2.549
20 HD13 LEU 2 HD13 LEU 2 35.117 3.089 -3.379
21 HD21 LEU 2 HD21 LEU 2 37.027 4.608 -3.294
22 HD22 LEU 2 HD22 LEU 2 38.094 4.593 -1.868
23 HD23 LEU 2 HD23 LEU 2 36.365 4.975 -1.684
24 H ARG 3 HN ARG 3 37.006 2.418 1.803
25 HA ARG 3 HA ARG 3 37.901 0.173 3.523
26 HB2 ARG 3 HB2 ARG 3 39.970 1.128 2.360
27 HB3 ARG 3 HB1 ARG 3 39.642 2.652 3.218
28 HG2 ARG 3 HG2 ARG 3 39.790 1.501 5.385
29 HG3 ARG 3 HG1 ARG 3 40.033 -0.059 4.562
30 HD2 ARG 3 HD2 ARG 3 41.880 2.365 4.453
31 HD3 ARG 3 HD1 ARG 3 42.205 0.816 5.266
32 HE ARG 3 HE ARG 3 42.658 1.333 2.490
33 HH11 ARG 3 HH11 ARG 3 42.111 -0.327 0.923
34 HH12 ARG 3 HH12 ARG 3 42.047 -1.959 1.500
35 HH21 ARG 3 HH21 ARG 3 42.214 -1.062 4.845
36 HH22 ARG 3 HH22 ARG 3 42.106 -2.375 3.721
37 H ARG 4 HN ARG 4 36.522 3.201 2.849
38 HA ARG 4 HA ARG 4 35.315 3.361 5.486
39 HB2 ARG 4 HB2 ARG 4 37.716 4.383 5.705
40 HB3 ARG 4 HB1 ARG 4 37.067 5.738 4.756
41 HG2 ARG 4 HG2 ARG 4 35.248 6.025 6.441
42 HG3 ARG 4 HG1 ARG 4 35.941 4.693 7.397
43 HD2 ARG 4 HD2 ARG 4 38.101 5.987 7.519
44 HD3 ARG 4 HD1 ARG 4 37.279 7.345 6.716
45 HE ARG 4 HE ARG 4 36.165 7.804 8.755
46 HH11 ARG 4 HH11 ARG 4 37.301 4.556 8.673
47 HH12 ARG 4 HH12 ARG 4 37.114 4.305 10.377
48 HH21 ARG 4 HH21 ARG 4 36.044 7.542 11.006
49 HH22 ARG 4 HH22 ARG 4 36.402 5.995 11.698
50 H ILE 5 HN ILE 5 35.386 3.715 2.236
51 HA ILE 5 HA ILE 5 34.011 4.768 0.700
52 HB ILE 5 HB ILE 5 32.078 5.319 2.993
53 HG12 ILE 5 HG12 ILE 5 32.542 2.708 1.473
54 HG13 ILE 5 HG11 ILE 5 32.887 2.988 3.196
55 HG21 ILE 5 HG21 ILE 5 31.698 6.149 0.569
56 HG22 ILE 5 HG22 ILE 5 30.396 5.187 1.301
57 HG23 ILE 5 HG23 ILE 5 31.510 4.435 0.133
58 HD11 ILE 5 HD1 ILE 5 30.383 3.647 3.402
59 HD12 ILE 5 HD2 ILE 5 30.761 1.922 3.184
60 HD13 ILE 5 HD3 ILE 5 30.189 2.887 1.804
61 H GLY 6 HN GLY 6 35.985 6.387 1.314
62 HA2 GLY 6 HA1 GLY 6 35.230 8.939 0.646
63 HA3 GLY 6 HA2 GLY 6 35.048 8.940 2.412
64 H LYS 7 HN LYS 7 37.446 6.868 0.968
65 HA LYS 7 HA LYS 7 39.581 7.877 2.501
66 HB2 LYS 7 HB2 LYS 7 39.471 5.714 1.140
67 HB3 LYS 7 HB1 LYS 7 39.897 6.695 -0.283
68 HG2 LYS 7 HG2 LYS 7 41.901 7.552 1.085
69 HG3 LYS 7 HG1 LYS 7 41.532 6.255 2.247
70 HD2 LYS 7 HD2 LYS 7 42.090 5.847 -0.726
71 HD3 LYS 7 HD1 LYS 7 43.253 5.552 0.588
72 HE2 LYS 7 HE2 LYS 7 41.432 3.975 1.580
73 HE3 LYS 7 HE1 LYS 7 40.683 4.060 -0.034
74 HZ1 LYS 7 HZ1 LYS 7 42.171 2.625 -0.785
75 HZ2 LYS 7 HZ2 LYS 7 42.820 2.471 0.778
76 HZ3 LYS 7 HZ3 LYS 7 43.457 3.619 -0.299
77 H GLY 8 HN GLY 8 38.822 8.581 -0.944
78 HA2 GLY 8 HA1 GLY 8 39.535 10.320 -2.297
79 HA3 GLY 8 HA2 GLY 8 39.264 11.329 -0.863
80 H VAL 9 HN VAL 9 40.929 12.714 -0.888
81 HA VAL 9 HA VAL 9 43.642 11.562 -0.452
82 HB VAL 9 HB VAL 9 43.172 13.712 -2.563
83 HG11 VAL 9 HG11 VAL 9 45.555 13.201 -3.102
84 HG12 VAL 9 HG12 VAL 9 45.600 12.057 -1.739
85 HG13 VAL 9 HG13 VAL 9 45.359 13.794 -1.435
86 HG21 VAL 9 HG21 VAL 9 43.651 10.713 -2.832
87 HG22 VAL 9 HG22 VAL 9 43.870 11.870 -4.166
88 HG23 VAL 9 HG23 VAL 9 42.261 11.642 -3.440
89 H LYS 10 HN LYS 10 41.902 14.656 -1.064
90 HA LYS 10 HA LYS 10 42.487 15.594 1.637
91 HB2 LYS 10 HB2 LYS 10 44.702 15.917 0.494
92 HB3 LYS 10 HB1 LYS 10 43.896 17.000 -0.666
93 HG2 LYS 10 HG2 LYS 10 43.224 18.509 1.137
94 HG3 LYS 10 HG1 LYS 10 43.883 17.393 2.358
95 HD2 LYS 10 HD2 LYS 10 46.150 17.655 1.302
96 HD3 LYS 10 HD1 LYS 10 45.457 18.882 0.213
97 HE2 LYS 10 HE2 LYS 10 44.690 20.142 2.289
98 HE3 LYS 10 HE1 LYS 10 45.664 19.003 3.249
99 HZ1 LYS 10 HZ1 LYS 10 47.077 20.793 2.842
100 HZ2 LYS 10 HZ2 LYS 10 46.575 20.968 1.228
101 HZ3 LYS 10 HZ3 LYS 10 47.547 19.650 1.680
102 H ILE 11 HN ILE 11 42.298 17.404 -1.457
103 HA ILE 11 HA ILE 11 40.133 19.026 -0.403
104 HB ILE 11 HB ILE 11 39.953 19.899 -2.730
105 HG12 ILE 11 HG12 ILE 11 42.160 17.849 -3.239
106 HG13 ILE 11 HG11 ILE 11 40.530 17.844 -3.953
107 HG21 ILE 11 HG21 ILE 11 41.652 20.720 -0.983
108 HG22 ILE 11 HG22 ILE 11 42.051 21.082 -2.677
109 HG23 ILE 11 HG23 ILE 11 42.864 19.738 -1.839
110 HD11 ILE 11 HD1 ILE 11 41.883 18.809 -5.644
111 HD12 ILE 11 HD2 ILE 11 42.822 19.766 -4.476
112 HD13 ILE 11 HD3 ILE 11 41.140 20.218 -4.851
113 H ILE 12 HN ILE 12 40.055 15.904 -1.106
114 HA ILE 12 HA ILE 12 37.771 15.710 -2.897
115 HB ILE 12 HB ILE 12 38.877 13.860 -0.772
116 HG12 ILE 12 HG12 ILE 12 40.572 14.313 -2.453
117 HG13 ILE 12 HG11 ILE 12 39.966 12.664 -2.708
118 HG21 ILE 12 HG21 ILE 12 36.784 12.893 -1.154
119 HG22 ILE 12 HG22 ILE 12 37.691 12.110 -2.464
120 HG23 ILE 12 HG23 ILE 12 36.663 13.520 -2.812
121 HD11 ILE 12 HD1 ILE 12 39.496 15.151 -4.377
122 HD12 ILE 12 HD2 ILE 12 38.309 13.827 -4.416
123 HD13 ILE 12 HD3 ILE 12 39.991 13.526 -4.898
124 H GLY 13 HN GLY 13 37.710 14.266 0.333
125 HA2 GLY 13 HA1 GLY 13 34.992 15.018 0.819
126 HA3 GLY 13 HA2 GLY 13 36.164 14.457 2.034
127 H GLY 14 HN GLY 14 37.760 16.724 0.457
128 HA2 GLY 14 HA1 GLY 14 37.262 18.787 2.541
129 HA3 GLY 14 HA2 GLY 14 38.557 18.774 1.325
130 H ALA 15 HN ALA 15 36.949 18.276 -0.984
131 HA ALA 15 HA ALA 15 35.745 21.011 -1.267
132 HB1 ALA 15 HB1 ALA 15 36.228 18.813 -3.322
133 HB2 ALA 15 HB2 ALA 15 37.294 20.211 -3.029
134 HB3 ALA 15 HB3 ALA 15 35.651 20.459 -3.662
135 H ALA 16 HN ALA 16 34.684 18.786 0.366
136 HA ALA 16 HA ALA 16 32.541 18.122 0.933
137 HB1 ALA 16 HB1 ALA 16 30.641 19.012 -0.096
138 HB2 ALA 16 HB2 ALA 16 31.386 19.028 -1.712
139 HB3 ALA 16 HB3 ALA 16 31.867 20.236 -0.497
140 H LEU 17 HN LEU 17 34.570 16.534 -0.396
141 HA LEU 17 HA LEU 17 34.737 14.490 -1.498
142 HB2 LEU 17 HB2 LEU 17 32.758 14.260 0.373
143 HB3 LEU 17 HB1 LEU 17 31.833 13.824 -1.077
144 HG LEU 17 HG LEU 17 34.464 12.532 -0.206
145 HD11 LEU 17 HD11 LEU 17 33.001 10.557 0.263
146 HD12 LEU 17 HD12 LEU 17 31.575 11.566 -0.075
147 HD13 LEU 17 HD13 LEU 17 32.627 11.947 1.309
148 HD21 LEU 17 HD21 LEU 17 34.161 12.487 -2.644
149 HD22 LEU 17 HD22 LEU 17 32.494 11.891 -2.449
150 HD23 LEU 17 HD23 LEU 17 33.868 10.864 -1.978
151 H ASP 18 HN ASP 18 34.022 16.822 -3.065
152 HA ASP 18 HA ASP 18 33.337 17.346 -5.212
153 HB2 ASP 18 HB2 ASP 18 34.825 15.437 -5.760
154 HB3 ASP 18 HB1 ASP 18 33.438 14.331 -5.622
155 H HIS 19 HN HIS 19 31.707 14.169 -5.097
156 HA HIS 19 HA HIS 19 29.294 15.030 -6.227
157 HB2 HIS 19 HB2 HIS 19 29.602 12.888 -4.087
158 HB3 HIS 19 HB1 HIS 19 28.293 13.016 -5.286
159 HD1 HIS 19 HD1 HIS 19 29.780 13.591 -7.865
160 HD2 HIS 19 HD2 HIS 19 31.205 10.841 -5.020
161 HE1 HIS 19 HE1 HIS 19 31.321 11.961 -9.088
162 H LEU 20 HN LEU 20 29.777 14.408 -2.713
163 HA LEU 20 HA LEU 20 27.347 15.817 -2.006
164 HB2 LEU 20 HB2 LEU 20 29.744 14.773 -0.461
165 HB3 LEU 20 HB1 LEU 20 28.484 15.731 0.352
166 HG LEU 20 HG LEU 20 26.761 14.125 -0.380
167 HD11 LEU 20 HD11 LEU 20 27.579 13.314 -2.474
168 HD12 LEU 20 HD12 LEU 20 27.643 11.912 -1.383
169 HD13 LEU 20 HD13 LEU 20 29.132 12.811 -1.765
170 HD21 LEU 20 HD21 LEU 20 27.929 13.729 1.761
171 HD22 LEU 20 HD22 LEU 20 29.192 12.805 0.913
172 HD23 LEU 20 HD23 LEU 20 27.526 12.182 0.979
Start of MODEL 3
1 H1 TRP 1 HT1 TRP 1 32.848 17.939 15.211
2 H2 TRP 1 HT2 TRP 1 34.218 17.206 14.521
3 H3 TRP 1 HT3 TRP 1 32.706 17.082 13.756
4 HA TRP 1 HA TRP 1 33.584 18.697 12.506
5 HB2 TRP 1 HB2 TRP 1 32.573 20.238 14.930
6 HB3 TRP 1 HB1 TRP 1 32.718 20.861 13.269
7 HD1 TRP 1 HD1 TRP 1 30.989 17.881 15.066
8 HE1 TRP 1 HE1 TRP 1 28.679 17.453 13.948
9 HE3 TRP 1 HE3 TRP 1 31.199 21.437 11.388
10 HZ2 TRP 1 HZ2 TRP 1 27.159 18.529 11.752
11 HZ3 TRP 1 HZ3 TRP 1 29.309 21.718 9.793
12 HH2 TRP 1 HH2 TRP 1 27.290 20.269 9.972
13 H LEU 2 HN LEU 2 35.853 18.169 12.639
14 HA LEU 2 HA LEU 2 37.520 19.437 14.658
15 HB2 LEU 2 HB2 LEU 2 38.283 18.279 11.951
16 HB3 LEU 2 HB1 LEU 2 39.392 18.625 13.295
17 HG LEU 2 HG LEU 2 37.025 16.712 13.526
18 HD11 LEU 2 HD11 LEU 2 39.952 16.095 12.930
19 HD12 LEU 2 HD12 LEU 2 38.594 15.904 11.795
20 HD13 LEU 2 HD13 LEU 2 38.685 14.888 13.255
21 HD21 LEU 2 HD21 LEU 2 38.568 15.834 15.432
22 HD22 LEU 2 HD22 LEU 2 37.726 17.371 15.713
23 HD23 LEU 2 HD23 LEU 2 39.447 17.371 15.257
24 H ARG 3 HN ARG 3 37.895 19.828 11.139
25 HA ARG 3 HA ARG 3 37.720 22.798 11.423
26 HB2 ARG 3 HB2 ARG 3 40.134 22.075 11.770
27 HB3 ARG 3 HB1 ARG 3 40.101 21.420 10.115
28 HG2 ARG 3 HG2 ARG 3 39.566 23.632 9.208
29 HG3 ARG 3 HG1 ARG 3 39.462 24.311 10.851
30 HD2 ARG 3 HD2 ARG 3 41.651 24.857 9.931
31 HD3 ARG 3 HD1 ARG 3 41.866 23.639 11.212
32 HE ARG 3 HE ARG 3 41.581 22.234 8.767
33 HH11 ARG 3 HH11 ARG 3 43.640 21.046 8.684
34 HH12 ARG 3 HH12 ARG 3 45.070 22.014 8.545
35 HH21 ARG 3 HH21 ARG 3 43.445 24.990 9.273
36 HH22 ARG 3 HH22 ARG 3 44.959 24.247 8.881
37 H ARG 4 HN ARG 4 37.438 19.830 9.744
38 HA ARG 4 HA ARG 4 36.046 21.201 7.504
39 HB2 ARG 4 HB2 ARG 4 38.381 19.280 7.113
40 HB3 ARG 4 HB1 ARG 4 37.266 19.800 5.826
41 HG2 ARG 4 HG2 ARG 4 37.892 22.205 6.409
42 HG3 ARG 4 HG1 ARG 4 39.175 21.536 7.445
43 HD2 ARG 4 HD2 ARG 4 40.057 20.282 5.452
44 HD3 ARG 4 HD1 ARG 4 38.847 21.110 4.444
45 HE ARG 4 HE ARG 4 40.237 23.142 5.806
46 HH11 ARG 4 HH11 ARG 4 42.467 23.660 5.357
47 HH12 ARG 4 HH12 ARG 4 43.131 23.092 3.861
48 HH21 ARG 4 HH21 ARG 4 40.417 21.065 3.122
49 HH22 ARG 4 HH22 ARG 4 41.970 21.623 2.595
50 H ILE 5 HN ILE 5 35.830 19.227 9.956
51 HA ILE 5 HA ILE 5 34.471 17.427 10.470
52 HB ILE 5 HB ILE 5 33.250 17.678 7.688
53 HG12 ILE 5 HG12 ILE 5 32.644 19.281 10.217
54 HG13 ILE 5 HG11 ILE 5 33.353 19.925 8.720
55 HG21 ILE 5 HG21 ILE 5 31.947 16.960 10.345
56 HG22 ILE 5 HG22 ILE 5 32.683 15.736 9.284
57 HG23 ILE 5 HG23 ILE 5 31.311 16.705 8.703
58 HD11 ILE 5 HD1 ILE 5 31.221 18.993 7.543
59 HD12 ILE 5 HD2 ILE 5 31.049 20.461 8.535
60 HD13 ILE 5 HD3 ILE 5 30.538 18.886 9.184
61 H GLY 6 HN GLY 6 36.732 16.421 10.141
62 HA2 GLY 6 HA1 GLY 6 37.765 14.404 9.633
63 HA3 GLY 6 HA2 GLY 6 36.304 13.903 8.759
64 H LYS 7 HN LYS 7 39.453 15.410 8.560
65 HA LYS 7 HA LYS 7 39.354 16.395 5.898
66 HB2 LYS 7 HB2 LYS 7 41.804 16.146 5.917
67 HB3 LYS 7 HB1 LYS 7 41.226 16.808 7.466
68 HG2 LYS 7 HG2 LYS 7 41.216 14.420 8.360
69 HG3 LYS 7 HG1 LYS 7 42.062 13.940 6.869
70 HD2 LYS 7 HD2 LYS 7 43.897 15.496 7.373
71 HD3 LYS 7 HD1 LYS 7 43.041 16.064 8.828
72 HE2 LYS 7 HE2 LYS 7 44.844 14.316 9.255
73 HE3 LYS 7 HE1 LYS 7 43.231 13.903 9.884
74 HZ1 LYS 7 HZ1 LYS 7 44.705 12.299 8.314
75 HZ2 LYS 7 HZ2 LYS 7 43.734 13.071 7.153
76 HZ3 LYS 7 HZ3 LYS 7 43.014 12.221 8.437
77 H GLY 8 HN GLY 8 41.321 15.119 4.439
78 HA2 GLY 8 HA1 GLY 8 41.149 12.329 4.190
79 HA3 GLY 8 HA2 GLY 8 39.794 12.981 3.248
80 H VAL 9 HN VAL 9 40.285 12.906 1.172
81 HA VAL 9 HA VAL 9 42.976 12.918 0.172
82 HB VAL 9 HB VAL 9 40.458 13.664 -1.379
83 HG11 VAL 9 HG11 VAL 9 43.185 12.523 -2.130
84 HG12 VAL 9 HG12 VAL 9 42.430 14.028 -2.708
85 HG13 VAL 9 HG13 VAL 9 41.779 12.454 -3.218
86 HG21 VAL 9 HG21 VAL 9 40.245 11.235 -1.837
87 HG22 VAL 9 HG22 VAL 9 40.097 11.575 -0.096
88 HG23 VAL 9 HG23 VAL 9 41.614 10.911 -0.748
89 H LYS 10 HN LYS 10 41.040 15.411 1.395
90 HA LYS 10 HA LYS 10 41.446 17.683 1.571
91 HB2 LYS 10 HB2 LYS 10 43.927 16.881 1.431
92 HB3 LYS 10 HB1 LYS 10 43.865 17.454 -0.252
93 HG2 LYS 10 HG2 LYS 10 42.937 19.673 0.735
94 HG3 LYS 10 HG1 LYS 10 43.505 19.059 2.305
95 HD2 LYS 10 HD2 LYS 10 45.787 18.814 1.399
96 HD3 LYS 10 HD1 LYS 10 45.227 19.388 -0.191
97 HE2 LYS 10 HE2 LYS 10 44.630 21.563 0.751
98 HE3 LYS 10 HE1 LYS 10 45.028 21.000 2.392
99 HZ1 LYS 10 HZ1 LYS 10 47.315 20.695 1.703
100 HZ2 LYS 10 HZ2 LYS 10 46.830 22.294 1.397
101 HZ3 LYS 10 HZ3 LYS 10 46.947 21.179 0.121
102 H ILE 11 HN ILE 11 41.266 16.030 -1.445
103 HA ILE 11 HA ILE 11 40.345 18.551 -2.830
104 HB ILE 11 HB ILE 11 41.306 15.992 -4.159
105 HG12 ILE 11 HG12 ILE 11 42.893 18.494 -3.412
106 HG13 ILE 11 HG11 ILE 11 43.146 16.852 -2.778
107 HG21 ILE 11 HG21 ILE 11 39.882 17.755 -5.396
108 HG22 ILE 11 HG22 ILE 11 41.442 17.341 -6.140
109 HG23 ILE 11 HG23 ILE 11 41.270 18.853 -5.215
110 HD11 ILE 11 HD1 ILE 11 44.789 17.069 -4.477
111 HD12 ILE 11 HD2 ILE 11 43.667 17.898 -5.580
112 HD13 ILE 11 HD3 ILE 11 43.482 16.155 -5.266
113 H ILE 12 HN ILE 12 39.835 15.012 -2.533
114 HA ILE 12 HA ILE 12 37.151 15.302 -3.803
115 HB ILE 12 HB ILE 12 38.641 12.837 -2.824
116 HG12 ILE 12 HG12 ILE 12 38.341 13.890 -5.679
117 HG13 ILE 12 HG11 ILE 12 39.784 14.147 -4.677
118 HG21 ILE 12 HG21 ILE 12 37.002 11.726 -4.506
119 HG22 ILE 12 HG22 ILE 12 36.109 13.262 -4.471
120 HG23 ILE 12 HG23 ILE 12 36.303 12.307 -2.985
121 HD11 ILE 12 HD1 ILE 12 38.795 11.615 -5.990
122 HD12 ILE 12 HD2 ILE 12 39.631 11.452 -4.427
123 HD13 ILE 12 HD3 ILE 12 40.454 12.219 -5.803
124 H GLY 13 HN GLY 13 37.709 12.784 -1.418
125 HA2 GLY 13 HA1 GLY 13 35.376 13.400 0.088
126 HA3 GLY 13 HA2 GLY 13 36.754 12.436 0.667
127 H GLY 14 HN GLY 14 38.217 14.993 -0.355
128 HA2 GLY 14 HA1 GLY 14 38.428 16.260 2.305
129 HA3 GLY 14 HA2 GLY 14 39.410 16.597 0.865
130 H ALA 15 HN ALA 15 37.530 17.157 -1.094
131 HA ALA 15 HA ALA 15 36.558 19.799 -0.083
132 HB1 ALA 15 HB1 ALA 15 36.186 18.593 -2.845
133 HB2 ALA 15 HB2 ALA 15 37.650 19.482 -2.352
134 HB3 ALA 15 HB3 ALA 15 36.074 20.303 -2.371
135 H ALA 16 HN ALA 16 35.522 17.191 0.863
136 HA ALA 16 HA ALA 16 33.448 16.523 1.644
137 HB1 ALA 16 HB1 ALA 16 32.819 19.043 1.153
138 HB2 ALA 16 HB2 ALA 16 31.534 17.839 1.409
139 HB3 ALA 16 HB3 ALA 16 31.955 18.357 -0.241
140 H LEU 17 HN LEU 17 34.921 15.246 -0.427
141 HA LEU 17 HA LEU 17 34.581 13.647 -2.092
142 HB2 LEU 17 HB2 LEU 17 32.931 12.950 -0.168
143 HB3 LEU 17 HB1 LEU 17 31.663 13.519 -1.274
144 HG LEU 17 HG LEU 17 32.970 11.972 -3.048
145 HD11 LEU 17 HD11 LEU 17 34.795 11.428 -1.379
146 HD12 LEU 17 HD12 LEU 17 33.973 9.996 -2.037
147 HD13 LEU 17 HD13 LEU 17 33.578 10.577 -0.402
148 HD21 LEU 17 HD21 LEU 17 31.483 10.079 -2.407
149 HD22 LEU 17 HD22 LEU 17 30.626 11.638 -2.338
150 HD23 LEU 17 HD23 LEU 17 31.179 10.859 -0.838
151 H ASP 18 HN ASP 18 33.914 16.573 -2.563
152 HA ASP 18 HA ASP 18 33.059 17.867 -4.286
153 HB2 ASP 18 HB2 ASP 18 33.351 15.204 -5.726
154 HB3 ASP 18 HB1 ASP 18 32.984 16.742 -6.542
155 H HIS 19 HN HIS 19 31.521 14.909 -5.501
156 HA HIS 19 HA HIS 19 29.012 16.056 -5.980
157 HB2 HIS 19 HB2 HIS 19 29.745 13.201 -5.226
158 HB3 HIS 19 HB1 HIS 19 28.128 13.685 -5.790
159 HD1 HIS 19 HD1 HIS 19 27.837 13.250 -8.219
160 HD2 HIS 19 HD2 HIS 19 31.799 14.307 -7.284
161 HE1 HIS 19 HE1 HIS 19 29.151 13.295 -10.410
162 H LEU 20 HN LEU 20 30.250 14.568 -2.987
163 HA LEU 20 HA LEU 20 29.404 14.592 -0.834
164 HB2 LEU 20 HB2 LEU 20 29.436 17.135 -1.549
165 HB3 LEU 20 HB1 LEU 20 27.668 16.976 -1.552
166 HG LEU 20 HG LEU 20 29.532 16.367 0.791
167 HD11 LEU 20 HD11 LEU 20 28.506 18.334 1.821
168 HD12 LEU 20 HD12 LEU 20 27.424 18.542 0.422
169 HD13 LEU 20 HD13 LEU 20 29.177 18.792 0.238
170 HD21 LEU 20 HD21 LEU 20 27.220 16.260 2.004
171 HD22 LEU 20 HD22 LEU 20 27.709 14.857 1.031
172 HD23 LEU 20 HD23 LEU 20 26.535 16.024 0.379
Start of MODEL 4
1 H1 TRP 1 HT1 TRP 1 30.481 6.222 14.195
2 H2 TRP 1 HT2 TRP 1 30.371 7.258 12.852
3 H3 TRP 1 HT3 TRP 1 30.784 7.880 14.379
4 HA TRP 1 HA TRP 1 32.757 7.793 13.191
5 HB2 TRP 1 HB2 TRP 1 34.012 5.977 14.414
6 HB3 TRP 1 HB1 TRP 1 33.026 7.022 15.465
7 HD1 TRP 1 HD1 TRP 1 30.675 6.008 16.331
8 HE1 TRP 1 HE1 TRP 1 29.916 3.560 16.776
9 HE3 TRP 1 HE3 TRP 1 34.275 3.546 13.650
10 HZ2 TRP 1 HZ2 TRP 1 30.779 0.911 16.049
11 HZ3 TRP 1 HZ3 TRP 1 34.289 1.059 13.540
12 HH2 TRP 1 HH2 TRP 1 32.546 -0.260 14.735
13 H LEU 2 HN LEU 2 32.914 7.438 11.048
14 HA LEU 2 HA LEU 2 32.041 5.063 9.728
15 HB2 LEU 2 HB2 LEU 2 32.354 7.093 8.468
16 HB3 LEU 2 HB1 LEU 2 34.055 7.210 8.967
17 HG LEU 2 HG LEU 2 34.662 5.277 7.638
18 HD11 LEU 2 HD11 LEU 2 32.797 4.171 6.213
19 HD12 LEU 2 HD12 LEU 2 31.652 4.934 7.342
20 HD13 LEU 2 HD13 LEU 2 32.846 3.758 7.942
21 HD21 LEU 2 HD21 LEU 2 34.164 6.092 5.412
22 HD22 LEU 2 HD22 LEU 2 34.298 7.507 6.483
23 HD23 LEU 2 HD23 LEU 2 32.694 6.917 5.986
24 H ARG 3 HN ARG 3 35.441 6.095 9.748
25 HA ARG 3 HA ARG 3 36.320 3.495 10.880
26 HB2 ARG 3 HB2 ARG 3 36.051 3.076 8.424
27 HB3 ARG 3 HB1 ARG 3 37.184 4.410 8.103
28 HG2 ARG 3 HG2 ARG 3 38.977 3.264 9.259
29 HG3 ARG 3 HG1 ARG 3 37.862 2.006 9.846
30 HD2 ARG 3 HD2 ARG 3 37.482 1.199 7.586
31 HD3 ARG 3 HD1 ARG 3 38.406 2.555 6.898
32 HE ARG 3 HE ARG 3 40.022 1.024 8.754
33 HH11 ARG 3 HH11 ARG 3 38.642 1.086 5.595
34 HH12 ARG 3 HH12 ARG 3 39.876 0.098 4.891
35 HH21 ARG 3 HH21 ARG 3 41.648 -0.260 7.850
36 HH22 ARG 3 HH22 ARG 3 41.580 -0.664 6.168
37 H ARG 4 HN ARG 4 36.643 6.793 10.046
38 HA ARG 4 HA ARG 4 39.065 7.025 11.760
39 HB2 ARG 4 HB2 ARG 4 38.922 8.213 8.956
40 HB3 ARG 4 HB1 ARG 4 40.249 8.407 10.127
41 HG2 ARG 4 HG2 ARG 4 40.493 5.873 10.115
42 HG3 ARG 4 HG1 ARG 4 39.354 5.843 8.746
43 HD2 ARG 4 HD2 ARG 4 41.620 5.850 7.855
44 HD3 ARG 4 HD1 ARG 4 40.877 7.432 7.521
45 HE ARG 4 HE ARG 4 42.487 8.409 8.947
46 HH11 ARG 4 HH11 ARG 4 44.322 6.132 8.358
47 HH12 ARG 4 HH12 ARG 4 44.734 5.568 9.944
48 HH21 ARG 4 HH21 ARG 4 42.103 7.208 11.498
49 HH22 ARG 4 HH22 ARG 4 43.477 6.178 11.721
50 H ILE 5 HN ILE 5 35.989 7.842 11.031
51 HA ILE 5 HA ILE 5 34.631 9.607 11.641
52 HB ILE 5 HB ILE 5 36.967 10.730 13.242
53 HG12 ILE 5 HG12 ILE 5 35.002 8.507 13.961
54 HG13 ILE 5 HG11 ILE 5 36.760 8.333 13.756
55 HG21 ILE 5 HG21 ILE 5 34.762 12.024 12.916
56 HG22 ILE 5 HG22 ILE 5 35.263 11.728 14.596
57 HG23 ILE 5 HG23 ILE 5 33.985 10.731 13.860
58 HD11 ILE 5 HD1 ILE 5 35.246 9.791 15.946
59 HD12 ILE 5 HD2 ILE 5 36.958 10.149 15.612
60 HD13 ILE 5 HD3 ILE 5 36.468 8.510 16.105
61 H GLY 6 HN GLY 6 37.751 11.380 11.756
62 HA2 GLY 6 HA1 GLY 6 36.639 13.432 9.977
63 HA3 GLY 6 HA2 GLY 6 38.243 13.422 10.736
64 H LYS 7 HN LYS 7 36.685 10.980 8.640
65 HA LYS 7 HA LYS 7 39.067 10.570 7.099
66 HB2 LYS 7 HB2 LYS 7 37.142 8.957 7.327
67 HB3 LYS 7 HB1 LYS 7 36.203 10.008 6.239
68 HG2 LYS 7 HG2 LYS 7 37.893 9.738 4.472
69 HG3 LYS 7 HG1 LYS 7 38.896 8.745 5.558
70 HD2 LYS 7 HD2 LYS 7 37.195 7.016 5.659
71 HD3 LYS 7 HD1 LYS 7 36.039 8.037 4.769
72 HE2 LYS 7 HE2 LYS 7 37.486 7.996 2.783
73 HE3 LYS 7 HE1 LYS 7 38.704 7.044 3.666
74 HZ1 LYS 7 HZ1 LYS 7 36.905 5.354 4.014
75 HZ2 LYS 7 HZ2 LYS 7 37.415 5.535 2.404
76 HZ3 LYS 7 HZ3 LYS 7 35.947 6.221 2.916
77 H GLY 8 HN GLY 8 39.636 11.184 5.008
78 HA2 GLY 8 HA1 GLY 8 38.157 12.725 3.213
79 HA3 GLY 8 HA2 GLY 8 38.899 13.897 4.320
80 H VAL 9 HN VAL 9 39.901 14.607 2.244
81 HA VAL 9 HA VAL 9 42.540 13.222 1.950
82 HB VAL 9 HB VAL 9 40.739 14.001 -0.394
83 HG11 VAL 9 HG11 VAL 9 43.621 13.030 -0.214
84 HG12 VAL 9 HG12 VAL 9 43.019 14.518 -0.982
85 HG13 VAL 9 HG13 VAL 9 42.662 12.934 -1.709
86 HG21 VAL 9 HG21 VAL 9 40.096 11.868 0.651
87 HG22 VAL 9 HG22 VAL 9 41.788 11.316 0.608
88 HG23 VAL 9 HG23 VAL 9 40.893 11.560 -0.911
89 H LYS 10 HN LYS 10 41.171 15.728 -0.164
90 HA LYS 10 HA LYS 10 42.239 17.961 1.320
91 HB2 LYS 10 HB2 LYS 10 44.375 16.818 0.574
92 HB3 LYS 10 HB1 LYS 10 43.882 17.146 -1.104
93 HG2 LYS 10 HG2 LYS 10 43.782 19.566 -0.611
94 HG3 LYS 10 HG1 LYS 10 44.262 19.248 1.073
95 HD2 LYS 10 HD2 LYS 10 46.371 18.181 0.216
96 HD3 LYS 10 HD1 LYS 10 45.903 18.670 -1.431
97 HE2 LYS 10 HE2 LYS 10 45.780 21.058 -0.604
98 HE3 LYS 10 HE1 LYS 10 46.460 20.499 0.943
99 HZ1 LYS 10 HZ1 LYS 10 47.970 19.511 -1.257
100 HZ2 LYS 10 HZ2 LYS 10 48.480 20.456 0.059
101 HZ3 LYS 10 HZ3 LYS 10 47.855 21.201 -1.335
102 H ILE 11 HN ILE 11 41.072 16.473 -1.627
103 HA ILE 11 HA ILE 11 39.799 19.090 -2.387
104 HB ILE 11 HB ILE 11 40.977 17.172 -4.439
105 HG12 ILE 11 HG12 ILE 11 42.208 19.698 -3.243
106 HG13 ILE 11 HG11 ILE 11 42.826 18.039 -3.063
107 HG21 ILE 11 HG21 ILE 11 40.290 20.130 -4.689
108 HG22 ILE 11 HG22 ILE 11 39.097 18.845 -4.999
109 HG23 ILE 11 HG23 ILE 11 40.567 18.950 -5.992
110 HD11 ILE 11 HD1 ILE 11 42.905 17.996 -5.667
111 HD12 ILE 11 HD2 ILE 11 44.139 18.955 -4.815
112 HD13 ILE 11 HD3 ILE 11 42.742 19.766 -5.558
113 H ILE 12 HN ILE 12 39.988 15.558 -2.922
114 HA ILE 12 HA ILE 12 37.210 15.472 -3.904
115 HB ILE 12 HB ILE 12 39.160 13.269 -3.138
116 HG12 ILE 12 HG12 ILE 12 38.433 14.225 -5.949
117 HG13 ILE 12 HG11 ILE 12 39.817 14.885 -5.053
118 HG21 ILE 12 HG21 ILE 12 36.996 12.271 -3.147
119 HG22 ILE 12 HG22 ILE 12 37.596 11.947 -4.783
120 HG23 ILE 12 HG23 ILE 12 36.440 13.269 -4.509
121 HD11 ILE 12 HD1 ILE 12 40.484 12.317 -4.772
122 HD12 ILE 12 HD2 ILE 12 40.846 13.176 -6.284
123 HD13 ILE 12 HD3 ILE 12 39.434 12.104 -6.192
124 H GLY 13 HN GLY 13 38.392 13.023 -1.649
125 HA2 GLY 13 HA1 GLY 13 36.054 13.110 -0.017
126 HA3 GLY 13 HA2 GLY 13 37.623 12.414 0.452
127 H GLY 14 HN GLY 14 38.497 15.225 -0.558
128 HA2 GLY 14 HA1 GLY 14 38.695 16.442 2.115
129 HA3 GLY 14 HA2 GLY 14 39.411 17.043 0.601
130 H ALA 15 HN ALA 15 37.244 17.240 -1.111
131 HA ALA 15 HA ALA 15 35.793 19.525 0.182
132 HB1 ALA 15 HB1 ALA 15 34.971 20.015 -2.032
133 HB2 ALA 15 HB2 ALA 15 35.533 18.446 -2.650
134 HB3 ALA 15 HB3 ALA 15 36.713 19.690 -2.162
135 H ALA 16 HN ALA 16 35.477 16.767 1.059
136 HA ALA 16 HA ALA 16 33.723 15.488 1.839
137 HB1 ALA 16 HB1 ALA 16 32.502 17.813 1.769
138 HB2 ALA 16 HB2 ALA 16 31.535 16.325 1.899
139 HB3 ALA 16 HB3 ALA 16 31.691 17.150 0.331
140 H LEU 17 HN LEU 17 35.219 14.803 -0.447
141 HA LEU 17 HA LEU 17 35.092 13.237 -2.160
142 HB2 LEU 17 HB2 LEU 17 33.301 12.312 -0.372
143 HB3 LEU 17 HB1 LEU 17 32.160 12.678 -1.679
144 HG LEU 17 HG LEU 17 34.659 10.941 -1.987
145 HD11 LEU 17 HD11 LEU 17 33.081 9.049 -2.046
146 HD12 LEU 17 HD12 LEU 17 31.720 10.161 -1.765
147 HD13 LEU 17 HD13 LEU 17 32.949 9.920 -0.500
148 HD21 LEU 17 HD21 LEU 17 33.473 10.270 -4.120
149 HD22 LEU 17 HD22 LEU 17 34.011 11.965 -4.102
150 HD23 LEU 17 HD23 LEU 17 32.298 11.569 -3.816
151 H ASP 18 HN ASP 18 35.002 15.740 -2.988
152 HA ASP 18 HA ASP 18 34.335 17.117 -4.726
153 HB2 ASP 18 HB2 ASP 18 34.902 15.142 -6.075
154 HB3 ASP 18 HB1 ASP 18 33.258 14.500 -5.852
155 H HIS 19 HN HIS 19 31.621 14.837 -5.114
156 HA HIS 19 HA HIS 19 29.746 16.758 -3.834
157 HB2 HIS 19 HB2 HIS 19 28.317 16.875 -5.852
158 HB3 HIS 19 HB1 HIS 19 29.915 17.604 -6.141
159 HD1 HIS 19 HD1 HIS 19 31.428 14.777 -6.417
160 HD2 HIS 19 HD2 HIS 19 28.045 16.045 -8.569
161 HE1 HIS 19 HE1 HIS 19 31.325 13.391 -8.562
162 H LEU 20 HN LEU 20 30.604 14.139 -3.113
163 HA LEU 20 HA LEU 20 29.739 12.050 -2.593
164 HB2 LEU 20 HB2 LEU 20 28.103 13.667 -1.477
165 HB3 LEU 20 HB1 LEU 20 27.034 13.407 -2.871
166 HG LEU 20 HG LEU 20 27.379 10.829 -2.321
167 HD11 LEU 20 HD11 LEU 20 27.601 10.470 0.164
168 HD12 LEU 20 HD12 LEU 20 28.071 12.175 0.334
169 HD13 LEU 20 HD13 LEU 20 29.097 11.055 -0.593
170 HD21 LEU 20 HD21 LEU 20 25.228 12.041 -2.140
171 HD22 LEU 20 HD22 LEU 20 25.702 12.652 -0.536
172 HD23 LEU 20 HD23 LEU 20 25.436 10.910 -0.782
Start of MODEL 5
1 H1 TRP 1 HT1 TRP 1 48.519 0.791 1.587
2 H2 TRP 1 HT2 TRP 1 48.237 1.347 0.006
3 H3 TRP 1 HT3 TRP 1 48.497 -0.306 0.294
4 HA TRP 1 HA TRP 1 46.215 -0.026 -0.057
5 HB2 TRP 1 HB2 TRP 1 46.562 -0.138 2.958
6 HB3 TRP 1 HB1 TRP 1 45.363 -0.981 1.947
7 HD1 TRP 1 HD1 TRP 1 49.189 -0.895 2.523
8 HE1 TRP 1 HE1 TRP 1 50.171 -3.255 2.045
9 HE3 TRP 1 HE3 TRP 1 44.928 -3.228 0.915
10 HZ2 TRP 1 HZ2 TRP 1 49.205 -5.795 1.090
11 HZ3 TRP 1 HZ3 TRP 1 44.980 -5.621 0.226
12 HH2 TRP 1 HH2 TRP 1 47.114 -6.905 0.313
13 H LEU 2 HN LEU 2 46.296 2.352 -0.713
14 HA LEU 2 HA LEU 2 45.305 4.444 -0.567
15 HB2 LEU 2 HB2 LEU 2 43.775 3.408 1.838
16 HB3 LEU 2 HB1 LEU 2 43.301 4.694 0.708
17 HG LEU 2 HG LEU 2 43.612 1.736 0.018
18 HD11 LEU 2 HD11 LEU 2 41.617 2.251 1.395
19 HD12 LEU 2 HD12 LEU 2 41.154 1.819 -0.270
20 HD13 LEU 2 HD13 LEU 2 41.150 3.523 0.243
21 HD21 LEU 2 HD21 LEU 2 44.162 2.947 -1.964
22 HD22 LEU 2 HD22 LEU 2 42.952 4.210 -1.632
23 HD23 LEU 2 HD23 LEU 2 42.431 2.585 -2.141
24 H ARG 3 HN ARG 3 47.187 3.140 1.858
25 HA ARG 3 HA ARG 3 48.728 4.228 3.223
26 HB2 ARG 3 HB2 ARG 3 48.179 6.331 1.697
27 HB3 ARG 3 HB1 ARG 3 47.237 6.869 3.107
28 HG2 ARG 3 HG2 ARG 3 49.335 6.421 4.514
29 HG3 ARG 3 HG1 ARG 3 50.215 6.244 2.978
30 HD2 ARG 3 HD2 ARG 3 49.418 8.525 2.304
31 HD3 ARG 3 HD1 ARG 3 48.664 8.700 3.906
32 HE ARG 3 HE ARG 3 51.403 8.006 4.289
33 HH11 ARG 3 HH11 ARG 3 49.263 10.552 4.428
34 HH12 ARG 3 HH12 ARG 3 50.442 11.803 4.219
35 HH21 ARG 3 HH21 ARG 3 53.012 9.615 3.426
36 HH22 ARG 3 HH22 ARG 3 52.564 11.273 3.651
37 H ARG 4 HN ARG 4 45.361 5.405 3.620
38 HA ARG 4 HA ARG 4 45.116 4.045 6.168
39 HB2 ARG 4 HB2 ARG 4 46.550 6.126 6.701
40 HB3 ARG 4 HB1 ARG 4 45.087 7.079 6.364
41 HG2 ARG 4 HG2 ARG 4 43.858 5.647 8.056
42 HG3 ARG 4 HG1 ARG 4 45.418 4.900 8.472
43 HD2 ARG 4 HD2 ARG 4 46.317 7.201 8.974
44 HD3 ARG 4 HD1 ARG 4 44.678 7.847 8.714
45 HE ARG 4 HE ARG 4 44.087 6.996 10.837
46 HH11 ARG 4 HH11 ARG 4 47.027 5.627 9.668
47 HH12 ARG 4 HH12 ARG 4 47.315 4.692 11.098
48 HH21 ARG 4 HH21 ARG 4 44.410 5.729 12.683
49 HH22 ARG 4 HH22 ARG 4 45.834 4.749 12.803
50 H ILE 5 HN ILE 5 43.610 3.732 3.996
51 HA ILE 5 HA ILE 5 41.464 3.934 3.125
52 HB ILE 5 HB ILE 5 40.633 4.653 5.967
53 HG12 ILE 5 HG12 ILE 5 41.366 1.935 4.781
54 HG13 ILE 5 HG11 ILE 5 42.219 2.782 6.093
55 HG21 ILE 5 HG21 ILE 5 38.968 4.614 3.998
56 HG22 ILE 5 HG22 ILE 5 38.570 3.580 5.389
57 HG23 ILE 5 HG23 ILE 5 39.265 2.862 3.916
58 HD11 ILE 5 HD1 ILE 5 40.834 1.219 7.222
59 HD12 ILE 5 HD2 ILE 5 39.458 1.521 6.137
60 HD13 ILE 5 HD3 ILE 5 39.932 2.748 7.338
61 H GLY 6 HN GLY 6 42.392 5.983 2.101
62 HA2 GLY 6 HA1 GLY 6 40.379 8.031 2.283
63 HA3 GLY 6 HA2 GLY 6 41.863 8.563 3.094
64 H LYS 7 HN LYS 7 43.906 7.745 1.640
65 HA LYS 7 HA LYS 7 45.126 8.333 -0.243
66 HB2 LYS 7 HB2 LYS 7 43.671 6.476 -1.163
67 HB3 LYS 7 HB1 LYS 7 42.567 7.733 -1.774
68 HG2 LYS 7 HG2 LYS 7 44.451 8.744 -3.054
69 HG3 LYS 7 HG1 LYS 7 45.522 7.444 -2.479
70 HD2 LYS 7 HD2 LYS 7 44.142 5.756 -3.584
71 HD3 LYS 7 HD1 LYS 7 42.954 6.993 -4.061
72 HE2 LYS 7 HE2 LYS 7 44.831 8.165 -5.321
73 HE3 LYS 7 HE1 LYS 7 45.836 6.729 -5.008
74 HZ1 LYS 7 HZ1 LYS 7 43.169 6.280 -6.119
75 HZ2 LYS 7 HZ2 LYS 7 44.629 5.464 -6.424
76 HZ3 LYS 7 HZ3 LYS 7 44.323 6.967 -7.156
77 H GLY 8 HN GLY 8 45.047 10.558 0.647
78 HA2 GLY 8 HA1 GLY 8 44.843 12.829 0.277
79 HA3 GLY 8 HA2 GLY 8 44.494 12.435 -1.417
80 H VAL 9 HN VAL 9 43.388 14.358 0.755
81 HA VAL 9 HA VAL 9 40.585 14.098 -0.139
82 HB VAL 9 HB VAL 9 39.688 14.252 2.199
83 HG11 VAL 9 HG11 VAL 9 39.786 11.896 2.640
84 HG12 VAL 9 HG12 VAL 9 41.373 11.739 1.849
85 HG13 VAL 9 HG13 VAL 9 39.919 12.065 0.875
86 HG21 VAL 9 HG21 VAL 9 41.256 13.478 4.036
87 HG22 VAL 9 HG22 VAL 9 41.647 15.081 3.369
88 HG23 VAL 9 HG23 VAL 9 42.600 13.658 2.883
89 H LYS 10 HN LYS 10 43.049 15.912 -0.179
90 HA LYS 10 HA LYS 10 42.196 18.281 1.341
91 HB2 LYS 10 HB2 LYS 10 44.370 17.700 -0.701
92 HB3 LYS 10 HB1 LYS 10 44.058 19.353 -0.122
93 HG2 LYS 10 HG2 LYS 10 45.833 18.332 1.224
94 HG3 LYS 10 HG1 LYS 10 44.382 18.564 2.228
95 HD2 LYS 10 HD2 LYS 10 43.830 16.252 2.184
96 HD3 LYS 10 HD1 LYS 10 44.896 15.930 0.795
97 HE2 LYS 10 HE2 LYS 10 45.890 15.102 2.915
98 HE3 LYS 10 HE1 LYS 10 46.877 16.399 2.201
99 HZ1 LYS 10 HZ1 LYS 10 46.720 17.193 4.299
100 HZ2 LYS 10 HZ2 LYS 10 45.249 16.409 4.628
101 HZ3 LYS 10 HZ3 LYS 10 45.266 17.842 3.716
102 H ILE 11 HN ILE 11 41.321 16.781 -1.573
103 HA ILE 11 HA ILE 11 39.889 19.268 -2.468
104 HB ILE 11 HB ILE 11 41.250 17.345 -4.393
105 HG12 ILE 11 HG12 ILE 11 42.242 20.012 -3.284
106 HG13 ILE 11 HG11 ILE 11 43.003 18.420 -3.061
107 HG21 ILE 11 HG21 ILE 11 39.256 18.821 -5.093
108 HG22 ILE 11 HG22 ILE 11 40.741 19.007 -6.052
109 HG23 ILE 11 HG23 ILE 11 40.322 20.218 -4.817
110 HD11 ILE 11 HD1 ILE 11 42.797 20.080 -5.595
111 HD12 ILE 11 HD2 ILE 11 43.114 18.328 -5.664
112 HD13 ILE 11 HD3 ILE 11 44.251 19.409 -4.822
113 H ILE 12 HN ILE 12 40.293 15.748 -2.534
114 HA ILE 12 HA ILE 12 37.707 15.274 -3.821
115 HB ILE 12 HB ILE 12 39.561 13.473 -2.231
116 HG12 ILE 12 HG12 ILE 12 39.233 13.693 -5.264
117 HG13 ILE 12 HG11 ILE 12 40.490 14.557 -4.351
118 HG21 ILE 12 HG21 ILE 12 37.385 12.437 -2.295
119 HG22 ILE 12 HG22 ILE 12 38.324 11.645 -3.574
120 HG23 ILE 12 HG23 ILE 12 37.137 12.900 -3.993
121 HD11 ILE 12 HD1 ILE 12 40.228 11.594 -4.909
122 HD12 ILE 12 HD2 ILE 12 41.035 12.105 -3.408
123 HD13 ILE 12 HD3 ILE 12 41.666 12.633 -4.983
124 H GLY 13 HN GLY 13 38.686 13.677 -0.803
125 HA2 GLY 13 HA1 GLY 13 36.077 13.964 0.381
126 HA3 GLY 13 HA2 GLY 13 37.580 13.517 1.227
127 H GLY 14 HN GLY 14 38.439 16.036 -0.468
128 HA2 GLY 14 HA1 GLY 14 38.268 17.927 1.803
129 HA3 GLY 14 HA2 GLY 14 39.149 18.155 0.273
130 H ALA 15 HN ALA 15 37.176 17.683 -1.622
131 HA ALA 15 HA ALA 15 35.515 20.147 -1.235
132 HB1 ALA 15 HB1 ALA 15 36.693 19.733 -3.406
133 HB2 ALA 15 HB2 ALA 15 34.927 19.862 -3.580
134 HB3 ALA 15 HB3 ALA 15 35.709 18.264 -3.621
135 H ALA 16 HN ALA 16 35.195 17.762 0.386
136 HA ALA 16 HA ALA 16 33.424 16.617 1.312
137 HB1 ALA 16 HB1 ALA 16 32.129 18.738 0.493
138 HB2 ALA 16 HB2 ALA 16 31.208 17.273 0.906
139 HB3 ALA 16 HB3 ALA 16 31.526 17.674 -0.797
140 H LEU 17 HN LEU 17 35.191 15.410 -0.510
141 HA LEU 17 HA LEU 17 35.320 13.462 -1.785
142 HB2 LEU 17 HB2 LEU 17 33.660 12.737 0.090
143 HB3 LEU 17 HB1 LEU 17 32.402 12.912 -1.152
144 HG LEU 17 HG LEU 17 34.089 11.401 -2.607
145 HD11 LEU 17 HD11 LEU 17 35.854 11.399 -0.815
146 HD12 LEU 17 HD12 LEU 17 35.294 9.765 -1.238
147 HD13 LEU 17 HD13 LEU 17 34.720 10.543 0.255
148 HD21 LEU 17 HD21 LEU 17 32.257 10.390 -0.386
149 HD22 LEU 17 HD22 LEU 17 32.926 9.352 -1.669
150 HD23 LEU 17 HD23 LEU 17 31.828 10.689 -2.086
151 H ASP 18 HN ASP 18 35.055 15.625 -3.293
152 HA ASP 18 HA ASP 18 34.411 16.357 -5.390
153 HB2 ASP 18 HB2 ASP 18 35.123 14.029 -5.992
154 HB3 ASP 18 HB1 ASP 18 33.433 13.504 -5.804
155 H HIS 19 HN HIS 19 31.848 13.888 -5.009
156 HA HIS 19 HA HIS 19 29.832 15.918 -4.345
157 HB2 HIS 19 HB2 HIS 19 30.115 16.230 -6.811
158 HB3 HIS 19 HB1 HIS 19 29.688 14.519 -7.046
159 HD1 HIS 19 HD1 HIS 19 27.806 15.771 -4.217
160 HD2 HIS 19 HD2 HIS 19 27.378 16.002 -8.394
161 HE1 HIS 19 HE1 HIS 19 25.373 16.378 -4.698
162 H LEU 20 HN LEU 20 30.517 13.844 -2.812
163 HA LEU 20 HA LEU 20 29.718 11.909 -1.808
164 HB2 LEU 20 HB2 LEU 20 27.208 13.109 -3.022
165 HB3 LEU 20 HB1 LEU 20 27.144 11.604 -2.077
166 HG LEU 20 HG LEU 20 28.183 12.750 -0.151
167 HD11 LEU 20 HD11 LEU 20 28.275 15.340 -0.331
168 HD12 LEU 20 HD12 LEU 20 28.246 15.091 -2.094
169 HD13 LEU 20 HD13 LEU 20 29.576 14.420 -1.119
170 HD21 LEU 20 HD21 LEU 20 25.857 14.392 -1.242
171 HD22 LEU 20 HD22 LEU 20 26.266 14.100 0.465
172 HD23 LEU 20 HD23 LEU 20 25.676 12.763 -0.550
Start of MODEL 6
1 H1 TRP 1 HT1 TRP 1 43.996 0.406 12.445
2 H2 TRP 1 HT2 TRP 1 43.163 1.727 13.115
3 H3 TRP 1 HT3 TRP 1 44.855 1.772 12.964
4 HA TRP 1 HA TRP 1 43.984 3.108 11.270
5 HB2 TRP 1 HB2 TRP 1 44.722 1.809 9.245
6 HB3 TRP 1 HB1 TRP 1 45.888 1.768 10.589
7 HD1 TRP 1 HD1 TRP 1 45.861 -0.486 12.130
8 HE1 TRP 1 HE1 TRP 1 45.348 -2.958 11.506
9 HE3 TRP 1 HE3 TRP 1 43.363 0.291 7.728
10 HZ2 TRP 1 HZ2 TRP 1 44.027 -4.374 9.377
11 HZ3 TRP 1 HZ3 TRP 1 42.484 -1.636 6.418
12 HH2 TRP 1 HH2 TRP 1 42.814 -3.965 7.238
13 H LEU 2 HN LEU 2 42.258 3.717 10.122
14 HA LEU 2 HA LEU 2 39.823 2.194 10.271
15 HB2 LEU 2 HB2 LEU 2 40.698 4.643 8.713
16 HB3 LEU 2 HB1 LEU 2 39.084 3.935 8.478
17 HG LEU 2 HG LEU 2 38.554 4.226 10.844
18 HD11 LEU 2 HD11 LEU 2 40.630 3.838 11.959
19 HD12 LEU 2 HD12 LEU 2 40.267 5.551 12.262
20 HD13 LEU 2 HD13 LEU 2 41.465 5.101 11.024
21 HD21 LEU 2 HD21 LEU 2 38.544 6.675 10.939
22 HD22 LEU 2 HD22 LEU 2 38.254 6.154 9.262
23 HD23 LEU 2 HD23 LEU 2 39.859 6.757 9.743
24 H ARG 3 HN ARG 3 41.242 3.354 7.238
25 HA ARG 3 HA ARG 3 41.585 0.705 6.106
26 HB2 ARG 3 HB2 ARG 3 39.095 0.849 6.056
27 HB3 ARG 3 HB1 ARG 3 39.213 2.370 5.145
28 HG2 ARG 3 HG2 ARG 3 38.786 0.491 3.614
29 HG3 ARG 3 HG1 ARG 3 40.396 1.170 3.309
30 HD2 ARG 3 HD2 ARG 3 40.165 -1.127 5.263
31 HD3 ARG 3 HD1 ARG 3 40.043 -1.477 3.524
32 HE ARG 3 HE ARG 3 42.455 -0.535 4.944
33 HH11 ARG 3 HH11 ARG 3 41.994 1.104 2.416
34 HH12 ARG 3 HH12 ARG 3 42.895 0.189 1.255
35 HH21 ARG 3 HH21 ARG 3 43.109 -2.637 3.250
36 HH22 ARG 3 HH22 ARG 3 43.528 -1.928 1.727
37 H ARG 4 HN ARG 4 41.494 4.124 6.110
38 HA ARG 4 HA ARG 4 43.714 4.281 4.222
39 HB2 ARG 4 HB2 ARG 4 42.460 5.950 2.737
40 HB3 ARG 4 HB1 ARG 4 42.017 4.239 2.530
41 HG2 ARG 4 HG2 ARG 4 40.027 4.506 3.871
42 HG3 ARG 4 HG1 ARG 4 40.518 6.140 4.376
43 HD2 ARG 4 HD2 ARG 4 38.796 6.199 2.574
44 HD3 ARG 4 HD1 ARG 4 40.328 6.942 2.057
45 HE ARG 4 HE ARG 4 40.534 4.276 1.257
46 HH11 ARG 4 HH11 ARG 4 40.741 5.688 -1.039
47 HH12 ARG 4 HH12 ARG 4 39.188 5.699 -1.804
48 HH21 ARG 4 HH21 ARG 4 37.470 4.797 1.071
49 HH22 ARG 4 HH22 ARG 4 37.335 5.195 -0.609
50 H ILE 5 HN ILE 5 42.202 5.083 6.952
51 HA ILE 5 HA ILE 5 42.052 7.006 8.291
52 HB ILE 5 HB ILE 5 44.334 7.953 8.778
53 HG12 ILE 5 HG12 ILE 5 45.265 5.974 6.643
54 HG13 ILE 5 HG11 ILE 5 45.152 7.729 6.378
55 HG21 ILE 5 HG21 ILE 5 43.413 5.802 9.776
56 HG22 ILE 5 HG22 ILE 5 45.187 5.906 9.742
57 HG23 ILE 5 HG23 ILE 5 44.331 4.913 8.538
58 HD11 ILE 5 HD1 ILE 5 46.987 6.211 8.263
59 HD12 ILE 5 HD2 ILE 5 46.658 7.946 8.494
60 HD13 ILE 5 HD3 ILE 5 47.417 7.376 6.991
61 H GLY 6 HN GLY 6 41.195 7.610 5.619
62 HA2 GLY 6 HA1 GLY 6 40.592 9.521 4.461
63 HA3 GLY 6 HA2 GLY 6 41.273 10.480 5.789
64 H LYS 7 HN LYS 7 42.799 8.140 3.544
65 HA LYS 7 HA LYS 7 45.023 9.996 3.097
66 HB2 LYS 7 HB2 LYS 7 45.250 7.487 3.174
67 HB3 LYS 7 HB1 LYS 7 44.373 7.413 1.627
68 HG2 LYS 7 HG2 LYS 7 46.084 8.787 0.541
69 HG3 LYS 7 HG1 LYS 7 46.933 9.005 2.090
70 HD2 LYS 7 HD2 LYS 7 47.340 6.571 2.225
71 HD3 LYS 7 HD1 LYS 7 46.470 6.335 0.688
72 HE2 LYS 7 HE2 LYS 7 48.131 7.897 -0.406
73 HE3 LYS 7 HE1 LYS 7 49.050 7.900 1.117
74 HZ1 LYS 7 HZ1 LYS 7 48.309 5.382 -0.263
75 HZ2 LYS 7 HZ2 LYS 7 49.499 5.626 0.925
76 HZ3 LYS 7 HZ3 LYS 7 49.728 6.225 -0.649
77 H GLY 8 HN GLY 8 45.081 11.585 1.662
78 HA2 GLY 8 HA1 GLY 8 44.672 12.788 -0.270
79 HA3 GLY 8 HA2 GLY 8 44.158 11.274 -1.039
80 H VAL 9 HN VAL 9 43.110 13.951 1.062
81 HA VAL 9 HA VAL 9 40.452 13.890 -0.233
82 HB VAL 9 HB VAL 9 39.243 13.868 1.963
83 HG11 VAL 9 HG11 VAL 9 39.597 11.803 0.482
84 HG12 VAL 9 HG12 VAL 9 39.223 11.477 2.190
85 HG13 VAL 9 HG13 VAL 9 40.897 11.335 1.604
86 HG21 VAL 9 HG21 VAL 9 41.994 13.046 2.996
87 HG22 VAL 9 HG22 VAL 9 40.486 12.919 3.931
88 HG23 VAL 9 HG23 VAL 9 41.091 14.517 3.432
89 H LYS 10 HN LYS 10 42.863 15.645 0.070
90 HA LYS 10 HA LYS 10 41.993 17.868 1.777
91 HB2 LYS 10 HB2 LYS 10 44.123 17.728 -0.396
92 HB3 LYS 10 HB1 LYS 10 43.923 19.042 0.786
93 HG2 LYS 10 HG2 LYS 10 44.541 17.654 2.619
94 HG3 LYS 10 HG1 LYS 10 44.297 16.159 1.687
95 HD2 LYS 10 HD2 LYS 10 46.716 16.713 1.972
96 HD3 LYS 10 HD1 LYS 10 46.221 16.686 0.264
97 HE2 LYS 10 HE2 LYS 10 47.681 18.677 1.026
98 HE3 LYS 10 HE1 LYS 10 46.200 19.064 0.118
99 HZ1 LYS 10 HZ1 LYS 10 46.728 20.297 2.323
100 HZ2 LYS 10 HZ2 LYS 10 46.109 18.897 3.061
101 HZ3 LYS 10 HZ3 LYS 10 45.137 19.803 2.001
102 H ILE 11 HN ILE 11 41.248 16.693 -1.333
103 HA ILE 11 HA ILE 11 39.805 19.245 -1.992
104 HB ILE 11 HB ILE 11 41.344 17.633 -4.061
105 HG12 ILE 11 HG12 ILE 11 42.181 20.158 -2.562
106 HG13 ILE 11 HG11 ILE 11 42.973 18.567 -2.481
107 HG21 ILE 11 HG21 ILE 11 39.347 19.144 -4.683
108 HG22 ILE 11 HG22 ILE 11 40.878 19.483 -5.519
109 HG23 ILE 11 HG23 ILE 11 40.354 20.515 -4.166
110 HD11 ILE 11 HD1 ILE 11 44.301 19.792 -4.021
111 HD12 ILE 11 HD2 ILE 11 42.880 20.517 -4.807
112 HD13 ILE 11 HD3 ILE 11 43.256 18.795 -5.060
113 H ILE 12 HN ILE 12 40.347 15.782 -2.523
114 HA ILE 12 HA ILE 12 37.874 15.406 -4.034
115 HB ILE 12 HB ILE 12 39.624 13.444 -2.522
116 HG12 ILE 12 HG12 ILE 12 41.004 14.568 -4.145
117 HG13 ILE 12 HG11 ILE 12 40.631 12.964 -4.805
118 HG21 ILE 12 HG21 ILE 12 38.592 11.886 -4.446
119 HG22 ILE 12 HG22 ILE 12 37.300 13.109 -4.443
120 HG23 ILE 12 HG23 ILE 12 37.678 12.213 -2.958
121 HD11 ILE 12 HD1 ILE 12 38.632 14.194 -6.001
122 HD12 ILE 12 HD2 ILE 12 40.272 14.390 -6.652
123 HD13 ILE 12 HD3 ILE 12 39.554 15.672 -5.650
124 H GLY 13 HN GLY 13 38.664 13.454 -1.172
125 HA2 GLY 13 HA1 GLY 13 35.966 13.508 -0.191
126 HA3 GLY 13 HA2 GLY 13 37.411 13.012 0.721
127 H GLY 14 HN GLY 14 38.304 15.755 -0.559
128 HA2 GLY 14 HA1 GLY 14 37.853 17.327 1.907
129 HA3 GLY 14 HA2 GLY 14 38.846 17.784 0.505
130 H ALA 15 HN ALA 15 37.040 17.470 -1.591
131 HA ALA 15 HA ALA 15 35.273 19.828 -1.074
132 HB1 ALA 15 HB1 ALA 15 34.859 19.758 -3.484
133 HB2 ALA 15 HB2 ALA 15 35.741 18.219 -3.618
134 HB3 ALA 15 HB3 ALA 15 36.609 19.710 -3.172
135 H ALA 16 HN ALA 16 34.944 17.201 0.198
136 HA ALA 16 HA ALA 16 33.123 15.956 0.877
137 HB1 ALA 16 HB1 ALA 16 31.347 17.126 -1.276
138 HB2 ALA 16 HB2 ALA 16 31.824 18.118 0.122
139 HB3 ALA 16 HB3 ALA 16 30.931 16.599 0.372
140 H LEU 17 HN LEU 17 35.097 15.065 -0.979
141 HA LEU 17 HA LEU 17 35.411 13.290 -2.464
142 HB2 LEU 17 HB2 LEU 17 33.843 12.243 -0.670
143 HB3 LEU 17 HB1 LEU 17 32.558 12.426 -1.882
144 HG LEU 17 HG LEU 17 34.359 11.218 -3.483
145 HD11 LEU 17 HD11 LEU 17 35.049 9.980 -0.786
146 HD12 LEU 17 HD12 LEU 17 36.058 11.233 -1.541
147 HD13 LEU 17 HD13 LEU 17 35.810 9.677 -2.366
148 HD21 LEU 17 HD21 LEU 17 32.134 10.309 -2.983
149 HD22 LEU 17 HD22 LEU 17 32.682 9.781 -1.373
150 HD23 LEU 17 HD23 LEU 17 33.349 9.018 -2.836
151 H ASP 18 HN ASP 18 34.688 15.698 -3.633
152 HA ASP 18 HA ASP 18 33.853 16.578 -5.610
153 HB2 ASP 18 HB2 ASP 18 33.822 13.650 -6.451
154 HB3 ASP 18 HB1 ASP 18 33.765 15.057 -7.542
155 H HIS 19 HN HIS 19 31.965 16.011 -3.520
156 HA HIS 19 HA HIS 19 29.675 15.813 -3.187
157 HB2 HIS 19 HB2 HIS 19 29.738 17.800 -4.674
158 HB3 HIS 19 HB1 HIS 19 29.580 16.731 -6.088
159 HD1 HIS 19 HD1 HIS 19 27.232 16.988 -6.911
160 HD2 HIS 19 HD2 HIS 19 27.421 16.577 -2.731
161 HE1 HIS 19 HE1 HIS 19 24.829 16.916 -6.043
162 H LEU 20 HN LEU 20 30.842 13.376 -3.688
163 HA LEU 20 HA LEU 20 30.321 11.218 -4.347
164 HB2 LEU 20 HB2 LEU 20 28.161 11.935 -3.179
165 HB3 LEU 20 HB1 LEU 20 27.505 12.267 -4.796
166 HG LEU 20 HG LEU 20 28.282 9.797 -5.349
167 HD11 LEU 20 HD11 LEU 20 29.529 9.294 -3.320
168 HD12 LEU 20 HD12 LEU 20 28.048 8.313 -3.302
169 HD13 LEU 20 HD13 LEU 20 28.157 9.774 -2.295
170 HD21 LEU 20 HD21 LEU 20 26.100 8.929 -4.530
171 HD22 LEU 20 HD22 LEU 20 25.927 10.538 -5.272
172 HD23 LEU 20 HD23 LEU 20 25.922 10.369 -3.500
Start of MODEL 7
1 H1 TRP 1 HT1 TRP 1 37.844 0.387 8.520
2 H2 TRP 1 HT2 TRP 1 37.589 0.417 10.199
3 H3 TRP 1 HT3 TRP 1 38.196 -0.984 9.452
4 HA TRP 1 HA TRP 1 39.557 1.629 9.601
5 HB2 TRP 1 HB2 TRP 1 40.350 -0.962 10.972
6 HB3 TRP 1 HB1 TRP 1 40.960 0.683 11.272
7 HD1 TRP 1 HD1 TRP 1 37.568 -1.199 11.445
8 HE1 TRP 1 HE1 TRP 1 36.214 -0.305 13.476
9 HE3 TRP 1 HE3 TRP 1 40.820 2.412 13.057
10 HZ2 TRP 1 HZ2 TRP 1 36.528 1.710 15.508
11 HZ3 TRP 1 HZ3 TRP 1 40.272 3.808 15.045
12 HH2 TRP 1 HH2 TRP 1 38.130 3.461 16.271
13 H LEU 2 HN LEU 2 39.802 1.436 7.256
14 HA LEU 2 HA LEU 2 41.128 -0.835 6.085
15 HB2 LEU 2 HB2 LEU 2 41.233 2.020 5.059
16 HB3 LEU 2 HB1 LEU 2 41.358 0.514 4.120
17 HG LEU 2 HG LEU 2 38.887 1.417 5.672
18 HD11 LEU 2 HD11 LEU 2 39.499 1.393 2.683
19 HD12 LEU 2 HD12 LEU 2 39.339 2.840 3.707
20 HD13 LEU 2 HD13 LEU 2 37.927 1.798 3.412
21 HD21 LEU 2 HD21 LEU 2 38.841 -0.969 5.570
22 HD22 LEU 2 HD22 LEU 2 39.534 -0.998 3.930
23 HD23 LEU 2 HD23 LEU 2 37.859 -0.451 4.181
24 H ARG 3 HN ARG 3 42.455 2.463 6.338
25 HA ARG 3 HA ARG 3 44.898 1.505 7.659
26 HB2 ARG 3 HB2 ARG 3 45.199 0.959 5.172
27 HB3 ARG 3 HB1 ARG 3 45.153 2.713 4.875
28 HG2 ARG 3 HG2 ARG 3 47.074 3.050 6.366
29 HG3 ARG 3 HG1 ARG 3 47.092 1.317 6.774
30 HD2 ARG 3 HD2 ARG 3 48.780 1.654 5.087
31 HD3 ARG 3 HD1 ARG 3 47.408 0.844 4.292
32 HE ARG 3 HE ARG 3 46.839 3.485 3.838
33 HH11 ARG 3 HH11 ARG 3 47.826 1.816 1.594
34 HH12 ARG 3 HH12 ARG 3 49.274 2.637 1.117
35 HH21 ARG 3 HH21 ARG 3 49.523 4.463 4.055
36 HH22 ARG 3 HH22 ARG 3 50.234 4.137 2.509
37 H ARG 4 HN ARG 4 42.632 3.772 6.591
38 HA ARG 4 HA ARG 4 43.858 5.886 8.280
39 HB2 ARG 4 HB2 ARG 4 43.075 6.332 5.366
40 HB3 ARG 4 HB1 ARG 4 43.535 7.603 6.523
41 HG2 ARG 4 HG2 ARG 4 45.737 6.347 6.851
42 HG3 ARG 4 HG1 ARG 4 45.271 5.339 5.460
43 HD2 ARG 4 HD2 ARG 4 45.495 8.381 5.416
44 HD3 ARG 4 HD1 ARG 4 46.726 7.256 4.790
45 HE ARG 4 HE ARG 4 44.263 6.592 3.544
46 HH11 ARG 4 HH11 ARG 4 47.107 7.792 2.641
47 HH12 ARG 4 HH12 ARG 4 46.527 9.006 1.549
48 HH21 ARG 4 HH21 ARG 4 43.235 8.766 2.613
49 HH22 ARG 4 HH22 ARG 4 44.335 9.557 1.534
50 H ILE 5 HN ILE 5 41.374 3.934 7.569
51 HA ILE 5 HA ILE 5 39.110 3.995 8.031
52 HB ILE 5 HB ILE 5 39.553 6.632 9.492
53 HG12 ILE 5 HG12 ILE 5 40.165 3.791 10.436
54 HG13 ILE 5 HG11 ILE 5 41.343 5.101 10.199
55 HG21 ILE 5 HG21 ILE 5 37.775 4.270 10.229
56 HG22 ILE 5 HG22 ILE 5 37.221 5.560 9.137
57 HG23 ILE 5 HG23 ILE 5 37.680 5.950 10.810
58 HD11 ILE 5 HD1 ILE 5 40.914 5.116 12.535
59 HD12 ILE 5 HD2 ILE 5 39.167 4.878 12.304
60 HD13 ILE 5 HD3 ILE 5 39.913 6.445 11.903
61 H GLY 6 HN GLY 6 39.600 4.757 5.543
62 HA2 GLY 6 HA1 GLY 6 38.924 6.113 3.778
63 HA3 GLY 6 HA2 GLY 6 37.378 6.104 4.649
64 H LYS 7 HN LYS 7 40.542 7.632 5.378
65 HA LYS 7 HA LYS 7 39.192 10.117 6.143
66 HB2 LYS 7 HB2 LYS 7 41.233 9.350 7.292
67 HB3 LYS 7 HB1 LYS 7 42.145 9.476 5.768
68 HG2 LYS 7 HG2 LYS 7 41.846 11.865 5.683
69 HG3 LYS 7 HG1 LYS 7 40.654 11.826 7.005
70 HD2 LYS 7 HD2 LYS 7 42.430 10.978 8.545
71 HD3 LYS 7 HD1 LYS 7 43.614 11.122 7.223
72 HE2 LYS 7 HE2 LYS 7 43.065 13.561 7.048
73 HE3 LYS 7 HE1 LYS 7 41.982 13.388 8.450
74 HZ1 LYS 7 HZ1 LYS 7 44.854 13.544 8.356
75 HZ2 LYS 7 HZ2 LYS 7 44.296 12.235 9.287
76 HZ3 LYS 7 HZ3 LYS 7 43.794 13.817 9.652
77 H GLY 8 HN GLY 8 38.520 11.631 4.788
78 HA2 GLY 8 HA1 GLY 8 38.985 11.616 2.003
79 HA3 GLY 8 HA2 GLY 8 38.432 13.018 2.940
80 H VAL 9 HN VAL 9 40.332 12.679 0.617
81 HA VAL 9 HA VAL 9 42.992 13.214 1.584
82 HB VAL 9 HB VAL 9 43.193 14.285 -0.835
83 HG11 VAL 9 HG11 VAL 9 44.093 12.081 -0.282
84 HG12 VAL 9 HG12 VAL 9 43.233 11.983 -1.838
85 HG13 VAL 9 HG13 VAL 9 42.468 11.360 -0.356
86 HG21 VAL 9 HG21 VAL 9 41.419 13.791 -2.357
87 HG22 VAL 9 HG22 VAL 9 40.602 14.475 -0.932
88 HG23 VAL 9 HG23 VAL 9 40.603 12.716 -1.196
89 H LYS 10 HN LYS 10 41.889 15.663 -0.594
90 HA LYS 10 HA LYS 10 41.508 17.681 1.553
91 HB2 LYS 10 HB2 LYS 10 44.008 17.443 1.160
92 HB3 LYS 10 HB1 LYS 10 43.725 18.009 -0.503
93 HG2 LYS 10 HG2 LYS 10 42.689 20.087 0.392
94 HG3 LYS 10 HG1 LYS 10 43.019 19.526 2.048
95 HD2 LYS 10 HD2 LYS 10 45.408 19.567 1.662
96 HD3 LYS 10 HD1 LYS 10 45.173 19.873 -0.076
97 HE2 LYS 10 HE2 LYS 10 44.174 22.059 0.405
98 HE3 LYS 10 HE1 LYS 10 44.274 21.751 2.154
99 HZ1 LYS 10 HZ1 LYS 10 46.144 23.059 0.817
100 HZ2 LYS 10 HZ2 LYS 10 46.745 21.482 0.619
101 HZ3 LYS 10 HZ3 LYS 10 46.494 22.108 2.178
102 H ILE 11 HN ILE 11 41.358 16.562 -1.739
103 HA ILE 11 HA ILE 11 39.725 18.993 -2.487
104 HB ILE 11 HB ILE 11 41.186 17.164 -4.436
105 HG12 ILE 11 HG12 ILE 11 42.126 19.768 -3.145
106 HG13 ILE 11 HG11 ILE 11 42.863 18.161 -2.942
107 HG21 ILE 11 HG21 ILE 11 40.297 20.062 -4.751
108 HG22 ILE 11 HG22 ILE 11 39.232 18.691 -5.145
109 HG23 ILE 11 HG23 ILE 11 40.762 18.907 -6.023
110 HD11 ILE 11 HD1 ILE 11 43.123 18.171 -5.535
111 HD12 ILE 11 HD2 ILE 11 44.214 19.211 -4.589
112 HD13 ILE 11 HD3 ILE 11 42.809 19.919 -5.418
113 H ILE 12 HN ILE 12 40.206 15.518 -3.315
114 HA ILE 12 HA ILE 12 37.488 15.319 -4.374
115 HB ILE 12 HB ILE 12 39.516 13.184 -3.633
116 HG12 ILE 12 HG12 ILE 12 38.956 14.084 -6.489
117 HG13 ILE 12 HG11 ILE 12 40.049 15.051 -5.477
118 HG21 ILE 12 HG21 ILE 12 37.522 11.957 -3.879
119 HG22 ILE 12 HG22 ILE 12 38.089 11.962 -5.561
120 HG23 ILE 12 HG23 ILE 12 36.830 13.106 -5.048
121 HD11 ILE 12 HD1 ILE 12 41.125 13.204 -6.924
122 HD12 ILE 12 HD2 ILE 12 40.412 12.048 -5.778
123 HD13 ILE 12 HD3 ILE 12 41.584 13.256 -5.208
124 H GLY 13 HN GLY 13 38.627 12.740 -2.265
125 HA2 GLY 13 HA1 GLY 13 36.187 12.554 -0.826
126 HA3 GLY 13 HA2 GLY 13 37.751 11.908 -0.283
127 H GLY 14 HN GLY 14 38.499 14.843 -0.958
128 HA2 GLY 14 HA1 GLY 14 38.383 15.819 1.820
129 HA3 GLY 14 HA2 GLY 14 39.191 16.592 0.441
130 H ALA 15 HN ALA 15 37.183 16.841 -1.455
131 HA ALA 15 HA ALA 15 35.462 18.890 -0.086
132 HB1 ALA 15 HB1 ALA 15 35.536 18.141 -3.032
133 HB2 ALA 15 HB2 ALA 15 36.605 19.364 -2.296
134 HB3 ALA 15 HB3 ALA 15 34.843 19.601 -2.295
135 H ALA 16 HN ALA 16 35.284 16.017 0.409
136 HA ALA 16 HA ALA 16 33.565 14.544 0.858
137 HB1 ALA 16 HB1 ALA 16 31.327 15.231 0.813
138 HB2 ALA 16 HB2 ALA 16 31.557 16.258 -0.622
139 HB3 ALA 16 HB3 ALA 16 32.189 16.780 0.957
140 H LEU 17 HN LEU 17 35.288 14.101 -1.238
141 HA LEU 17 HA LEU 17 35.444 12.789 -3.150
142 HB2 LEU 17 HB2 LEU 17 32.479 12.159 -2.877
143 HB3 LEU 17 HB1 LEU 17 33.723 11.195 -3.693
144 HG LEU 17 HG LEU 17 33.980 11.784 -0.720
145 HD11 LEU 17 HD11 LEU 17 32.783 9.646 -0.268
146 HD12 LEU 17 HD12 LEU 17 32.338 9.555 -1.989
147 HD13 LEU 17 HD13 LEU 17 31.715 10.881 -0.977
148 HD21 LEU 17 HD21 LEU 17 34.732 9.276 -2.276
149 HD22 LEU 17 HD22 LEU 17 35.363 9.837 -0.710
150 HD23 LEU 17 HD23 LEU 17 35.812 10.685 -2.205
151 H ASP 18 HN ASP 18 35.001 15.543 -3.461
152 HA ASP 18 HA ASP 18 34.338 17.096 -5.057
153 HB2 ASP 18 HB2 ASP 18 34.372 14.562 -6.742
154 HB3 ASP 18 HB1 ASP 18 34.160 16.195 -7.419
155 H HIS 19 HN HIS 19 32.283 15.809 -3.395
156 HA HIS 19 HA HIS 19 29.972 15.644 -3.272
157 HB2 HIS 19 HB2 HIS 19 30.296 18.080 -3.867
158 HB3 HIS 19 HB1 HIS 19 30.007 17.641 -5.568
159 HD1 HIS 19 HD1 HIS 19 27.961 19.523 -4.591
160 HD2 HIS 19 HD2 HIS 19 27.651 15.413 -3.756
161 HE1 HIS 19 HE1 HIS 19 25.504 19.030 -4.094
162 H LEU 20 HN LEU 20 30.633 13.432 -4.337
163 HA LEU 20 HA LEU 20 28.548 12.875 -6.288
164 HB2 LEU 20 HB2 LEU 20 30.451 13.846 -7.695
165 HB3 LEU 20 HB1 LEU 20 31.409 12.430 -7.210
166 HG LEU 20 HG LEU 20 29.310 11.043 -8.068
167 HD11 LEU 20 HD11 LEU 20 27.778 12.899 -8.480
168 HD12 LEU 20 HD12 LEU 20 28.235 12.192 -10.044
169 HD13 LEU 20 HD13 LEU 20 28.975 13.717 -9.509
170 HD21 LEU 20 HD21 LEU 20 31.224 12.483 -9.961
171 HD22 LEU 20 HD22 LEU 20 30.281 11.031 -10.369
172 HD23 LEU 20 HD23 LEU 20 31.536 10.951 -9.110
Start of MODEL 8
1 H1 TRP 1 HT1 TRP 1 40.896 1.551 13.230
2 H2 TRP 1 HT2 TRP 1 41.806 2.891 12.716
3 H3 TRP 1 HT3 TRP 1 42.368 1.314 12.424
4 HA TRP 1 HA TRP 1 41.472 2.329 10.444
5 HB2 TRP 1 HB2 TRP 1 39.555 0.149 11.321
6 HB3 TRP 1 HB1 TRP 1 40.318 0.402 9.732
7 HD1 TRP 1 HD1 TRP 1 40.582 -1.754 12.621
8 HE1 TRP 1 HE1 TRP 1 42.905 -2.903 12.811
9 HE3 TRP 1 HE3 TRP 1 43.199 1.160 9.320
10 HZ2 TRP 1 HZ2 TRP 1 45.528 -2.577 11.672
11 HZ3 TRP 1 HZ3 TRP 1 45.612 0.720 8.889
12 HH2 TRP 1 HH2 TRP 1 46.776 -1.143 10.060
13 H LEU 2 HN LEU 2 38.971 2.084 9.456
14 HA LEU 2 HA LEU 2 36.986 3.329 11.178
15 HB2 LEU 2 HB2 LEU 2 38.738 5.179 10.458
16 HB3 LEU 2 HB1 LEU 2 37.870 5.131 8.910
17 HG LEU 2 HG LEU 2 36.674 5.702 11.661
18 HD11 LEU 2 HD11 LEU 2 37.938 7.572 10.648
19 HD12 LEU 2 HD12 LEU 2 36.192 7.918 10.657
20 HD13 LEU 2 HD13 LEU 2 36.991 7.406 9.151
21 HD21 LEU 2 HD21 LEU 2 34.981 4.497 10.483
22 HD22 LEU 2 HD22 LEU 2 35.398 5.262 8.931
23 HD23 LEU 2 HD23 LEU 2 34.589 6.208 10.203
24 H ARG 3 HN ARG 3 37.772 3.694 7.719
25 HA ARG 3 HA ARG 3 35.982 1.632 6.810
26 HB2 ARG 3 HB2 ARG 3 34.233 3.184 7.632
27 HB3 ARG 3 HB1 ARG 3 34.930 4.490 6.644
28 HG2 ARG 3 HG2 ARG 3 34.430 3.309 4.592
29 HG3 ARG 3 HG1 ARG 3 33.961 1.844 5.487
30 HD2 ARG 3 HD2 ARG 3 32.093 3.113 6.546
31 HD3 ARG 3 HD1 ARG 3 32.543 4.543 5.587
32 HE ARG 3 HE ARG 3 31.368 3.557 3.803
33 HH11 ARG 3 HH11 ARG 3 30.462 1.509 6.030
34 HH12 ARG 3 HH12 ARG 3 30.675 0.032 5.150
35 HH21 ARG 3 HH21 ARG 3 32.548 1.495 2.625
36 HH22 ARG 3 HH22 ARG 3 31.856 0.025 3.223
37 H ARG 4 HN ARG 4 38.014 4.349 6.533
38 HA ARG 4 HA ARG 4 38.790 3.555 3.773
39 HB2 ARG 4 HB2 ARG 4 38.253 6.466 4.478
40 HB3 ARG 4 HB1 ARG 4 38.627 5.772 2.882
41 HG2 ARG 4 HG2 ARG 4 36.486 4.423 3.063
42 HG3 ARG 4 HG1 ARG 4 36.095 5.357 4.527
43 HD2 ARG 4 HD2 ARG 4 36.324 7.467 3.169
44 HD3 ARG 4 HD1 ARG 4 36.528 6.457 1.717
45 HE ARG 4 HE ARG 4 34.015 7.040 3.016
46 HH11 ARG 4 HH11 ARG 4 32.292 5.521 2.815
47 HH12 ARG 4 HH12 ARG 4 32.449 4.258 1.640
48 HH21 ARG 4 HH21 ARG 4 35.754 4.996 0.900
49 HH22 ARG 4 HH22 ARG 4 34.409 3.961 0.556
50 H ILE 5 HN ILE 5 39.449 4.376 6.952
51 HA ILE 5 HA ILE 5 41.424 4.798 8.076
52 HB ILE 5 HB ILE 5 42.911 4.138 5.499
53 HG12 ILE 5 HG12 ILE 5 41.727 2.247 7.584
54 HG13 ILE 5 HG11 ILE 5 41.181 2.415 5.899
55 HG21 ILE 5 HG21 ILE 5 43.628 3.510 8.391
56 HG22 ILE 5 HG22 ILE 5 44.106 5.032 7.602
57 HG23 ILE 5 HG23 ILE 5 44.688 3.479 6.962
58 HD11 ILE 5 HD1 ILE 5 43.643 1.853 5.253
59 HD12 ILE 5 HD2 ILE 5 42.617 0.527 5.850
60 HD13 ILE 5 HD3 ILE 5 43.803 1.288 6.934
61 H GLY 6 HN GLY 6 42.567 5.764 4.811
62 HA2 GLY 6 HA1 GLY 6 43.849 8.109 5.678
63 HA3 GLY 6 HA2 GLY 6 43.273 7.817 4.026
64 H LYS 7 HN LYS 7 40.463 7.559 4.833
65 HA LYS 7 HA LYS 7 38.625 8.968 4.958
66 HB2 LYS 7 HB2 LYS 7 39.414 9.080 7.339
67 HB3 LYS 7 HB1 LYS 7 40.335 10.545 6.921
68 HG2 LYS 7 HG2 LYS 7 38.298 11.717 6.285
69 HG3 LYS 7 HG1 LYS 7 37.333 10.237 6.498
70 HD2 LYS 7 HD2 LYS 7 37.769 10.214 8.885
71 HD3 LYS 7 HD1 LYS 7 38.933 11.553 8.732
72 HE2 LYS 7 HE2 LYS 7 36.639 12.254 9.553
73 HE3 LYS 7 HE1 LYS 7 37.181 13.095 8.081
74 HZ1 LYS 7 HZ1 LYS 7 34.812 11.966 8.264
75 HZ2 LYS 7 HZ2 LYS 7 35.682 10.602 7.743
76 HZ3 LYS 7 HZ3 LYS 7 35.669 12.017 6.802
77 H GLY 8 HN GLY 8 39.046 9.593 2.730
78 HA2 GLY 8 HA1 GLY 8 39.021 11.291 1.151
79 HA3 GLY 8 HA2 GLY 8 39.105 12.475 2.471
80 H VAL 9 HN VAL 9 40.536 13.754 1.208
81 HA VAL 9 HA VAL 9 43.364 12.875 1.518
82 HB VAL 9 HB VAL 9 42.240 13.793 -1.172
83 HG11 VAL 9 HG11 VAL 9 44.614 13.249 -1.910
84 HG12 VAL 9 HG12 VAL 9 45.046 13.116 -0.189
85 HG13 VAL 9 HG13 VAL 9 44.478 14.668 -0.848
86 HG21 VAL 9 HG21 VAL 9 43.257 11.108 -0.146
87 HG22 VAL 9 HG22 VAL 9 43.068 11.484 -1.874
88 HG23 VAL 9 HG23 VAL 9 41.647 11.476 -0.807
89 H LYS 10 HN LYS 10 41.967 15.452 -0.526
90 HA LYS 10 HA LYS 10 42.242 17.513 1.482
91 HB2 LYS 10 HB2 LYS 10 44.702 16.717 0.558
92 HB3 LYS 10 HB1 LYS 10 44.320 17.958 -0.650
93 HG2 LYS 10 HG2 LYS 10 44.308 18.341 2.383
94 HG3 LYS 10 HG1 LYS 10 45.561 18.922 1.260
95 HD2 LYS 10 HD2 LYS 10 43.619 20.168 0.049
96 HD3 LYS 10 HD1 LYS 10 42.676 19.844 1.525
97 HE2 LYS 10 HE2 LYS 10 45.204 21.494 1.227
98 HE3 LYS 10 HE1 LYS 10 43.632 21.984 1.902
99 HZ1 LYS 10 HZ1 LYS 10 44.524 21.481 3.866
100 HZ2 LYS 10 HZ2 LYS 10 45.840 20.657 3.175
101 HZ3 LYS 10 HZ3 LYS 10 44.367 19.849 3.428
102 H ILE 11 HN ILE 11 41.657 16.303 -1.680
103 HA ILE 11 HA ILE 11 40.419 18.931 -2.518
104 HB ILE 11 HB ILE 11 41.307 16.686 -4.369
105 HG12 ILE 11 HG12 ILE 11 42.843 19.169 -3.470
106 HG13 ILE 11 HG11 ILE 11 43.287 17.478 -3.143
107 HG21 ILE 11 HG21 ILE 11 41.050 18.324 -6.103
108 HG22 ILE 11 HG22 ILE 11 40.938 19.659 -4.931
109 HG23 ILE 11 HG23 ILE 11 39.605 18.489 -5.080
110 HD11 ILE 11 HD1 ILE 11 43.273 17.181 -5.732
111 HD12 ILE 11 HD2 ILE 11 44.630 18.076 -5.008
112 HD13 ILE 11 HD3 ILE 11 43.303 18.961 -5.794
113 H ILE 12 HN ILE 12 40.202 15.372 -2.941
114 HA ILE 12 HA ILE 12 37.434 15.512 -3.825
115 HB ILE 12 HB ILE 12 39.057 13.189 -2.740
116 HG12 ILE 12 HG12 ILE 12 40.244 14.156 -4.616
117 HG13 ILE 12 HG11 ILE 12 39.485 12.654 -5.175
118 HG21 ILE 12 HG21 ILE 12 36.894 12.308 -2.780
119 HG22 ILE 12 HG22 ILE 12 37.357 11.980 -4.464
120 HG23 ILE 12 HG23 ILE 12 36.348 13.393 -4.078
121 HD11 ILE 12 HD1 ILE 12 38.978 14.170 -6.910
122 HD12 ILE 12 HD2 ILE 12 38.718 15.524 -5.789
123 HD13 ILE 12 HD3 ILE 12 37.504 14.229 -5.919
124 H GLY 13 HN GLY 13 38.139 13.136 -1.342
125 HA2 GLY 13 HA1 GLY 13 35.827 13.662 0.185
126 HA3 GLY 13 HA2 GLY 13 37.300 12.885 0.804
127 H GLY 14 HN GLY 14 38.548 15.453 -0.384
128 HA2 GLY 14 HA1 GLY 14 38.687 16.910 2.166
129 HA3 GLY 14 HA2 GLY 14 39.555 17.287 0.663
130 H ALA 15 HN ALA 15 37.523 17.534 -1.211
131 HA ALA 15 HA ALA 15 36.259 20.074 -0.236
132 HB1 ALA 15 HB1 ALA 15 37.324 19.938 -2.512
133 HB2 ALA 15 HB2 ALA 15 35.613 20.421 -2.540
134 HB3 ALA 15 HB3 ALA 15 36.070 18.759 -2.974
135 H ALA 16 HN ALA 16 35.605 17.394 0.791
136 HA ALA 16 HA ALA 16 33.662 16.433 1.600
137 HB1 ALA 16 HB1 ALA 16 31.584 17.484 1.412
138 HB2 ALA 16 HB2 ALA 16 31.901 18.064 -0.240
139 HB3 ALA 16 HB3 ALA 16 32.695 18.847 1.147
140 H LEU 17 HN LEU 17 35.244 15.387 -0.516
141 HA LEU 17 HA LEU 17 35.092 13.666 -2.067
142 HB2 LEU 17 HB2 LEU 17 33.076 13.146 -0.260
143 HB3 LEU 17 HB1 LEU 17 32.135 13.234 -1.762
144 HG LEU 17 HG LEU 17 34.610 11.480 -1.355
145 HD11 LEU 17 HD11 LEU 17 32.980 9.611 -1.308
146 HD12 LEU 17 HD12 LEU 17 31.641 10.782 -1.384
147 HD13 LEU 17 HD13 LEU 17 32.710 10.742 0.040
148 HD21 LEU 17 HD21 LEU 17 34.326 12.040 -3.694
149 HD22 LEU 17 HD22 LEU 17 32.568 11.774 -3.602
150 HD23 LEU 17 HD23 LEU 17 33.687 10.396 -3.468
151 H ASP 18 HN ASP 18 34.200 16.586 -2.552
152 HA ASP 18 HA ASP 18 33.459 17.836 -4.355
153 HB2 ASP 18 HB2 ASP 18 35.210 16.566 -5.527
154 HB3 ASP 18 HB1 ASP 18 34.051 15.261 -5.870
155 H HIS 19 HN HIS 19 32.318 14.736 -5.694
156 HA HIS 19 HA HIS 19 29.780 15.720 -6.437
157 HB2 HIS 19 HB2 HIS 19 30.875 13.552 -7.170
158 HB3 HIS 19 HB1 HIS 19 30.378 12.853 -5.610
159 HD1 HIS 19 HD1 HIS 19 27.615 14.689 -5.700
160 HD2 HIS 19 HD2 HIS 19 28.954 11.863 -8.514
161 HE1 HIS 19 HE1 HIS 19 25.568 13.868 -6.989
162 H LEU 20 HN LEU 20 30.304 13.360 -3.773
163 HA LEU 20 HA LEU 20 27.793 14.262 -2.497
164 HB2 LEU 20 HB2 LEU 20 29.794 12.276 -1.369
165 HB3 LEU 20 HB1 LEU 20 28.040 12.376 -1.079
166 HG LEU 20 HG LEU 20 29.412 11.613 -3.696
167 HD11 LEU 20 HD11 LEU 20 27.670 10.052 -1.735
168 HD12 LEU 20 HD12 LEU 20 29.420 9.838 -1.982
169 HD13 LEU 20 HD13 LEU 20 28.282 9.432 -3.288
170 HD21 LEU 20 HD21 LEU 20 27.434 12.811 -4.315
171 HD22 LEU 20 HD22 LEU 20 26.494 12.116 -2.972
172 HD23 LEU 20 HD23 LEU 20 26.962 11.097 -4.356
Start of MODEL 9
1 H1 TRP 1 HT1 TRP 1 38.846 1.060 12.522
2 H2 TRP 1 HT2 TRP 1 37.474 0.066 12.379
3 H3 TRP 1 HT3 TRP 1 37.297 1.723 12.709
4 HA TRP 1 HA TRP 1 38.548 0.679 10.257
5 HB2 TRP 1 HB2 TRP 1 35.662 1.502 10.769
6 HB3 TRP 1 HB1 TRP 1 36.370 1.212 9.162
7 HD1 TRP 1 HD1 TRP 1 36.838 -1.263 8.450
8 HE1 TRP 1 HE1 TRP 1 36.163 -3.582 9.416
9 HE3 TRP 1 HE3 TRP 1 35.206 0.230 13.067
10 HZ2 TRP 1 HZ2 TRP 1 35.064 -4.614 11.869
11 HZ3 TRP 1 HZ3 TRP 1 34.350 -1.438 14.704
12 HH2 TRP 1 HH2 TRP 1 34.277 -3.856 14.111
13 H LEU 2 HN LEU 2 38.171 2.390 8.496
14 HA LEU 2 HA LEU 2 39.436 4.821 9.362
15 HB2 LEU 2 HB2 LEU 2 37.845 4.488 6.795
16 HB3 LEU 2 HB1 LEU 2 39.259 5.526 7.091
17 HG LEU 2 HG LEU 2 39.213 2.476 7.009
18 HD11 LEU 2 HD11 LEU 2 39.148 3.732 4.821
19 HD12 LEU 2 HD12 LEU 2 40.615 2.747 5.038
20 HD13 LEU 2 HD13 LEU 2 40.682 4.511 5.277
21 HD21 LEU 2 HD21 LEU 2 41.376 4.466 7.810
22 HD22 LEU 2 HD22 LEU 2 41.774 2.836 7.218
23 HD23 LEU 2 HD23 LEU 2 40.811 3.032 8.700
24 H ARG 3 HN ARG 3 36.300 3.748 9.753
25 HA ARG 3 HA ARG 3 34.402 4.780 10.557
26 HB2 ARG 3 HB2 ARG 3 35.885 7.428 10.618
27 HB3 ARG 3 HB1 ARG 3 34.496 6.912 11.597
28 HG2 ARG 3 HG2 ARG 3 36.054 5.019 12.475
29 HG3 ARG 3 HG1 ARG 3 37.385 5.976 11.782
30 HD2 ARG 3 HD2 ARG 3 37.099 6.570 14.139
31 HD3 ARG 3 HD1 ARG 3 36.613 7.948 13.123
32 HE ARG 3 HE ARG 3 34.237 6.595 13.516
33 HH11 ARG 3 HH11 ARG 3 33.911 5.626 15.845
34 HH12 ARG 3 HH12 ARG 3 34.115 6.829 17.075
35 HH21 ARG 3 HH21 ARG 3 35.729 9.074 14.983
36 HH22 ARG 3 HH22 ARG 3 35.144 8.781 16.587
37 H ARG 4 HN ARG 4 35.945 7.361 8.557
38 HA ARG 4 HA ARG 4 33.406 8.002 7.307
39 HB2 ARG 4 HB2 ARG 4 36.252 8.727 6.502
40 HB3 ARG 4 HB1 ARG 4 34.768 9.476 5.864
41 HG2 ARG 4 HG2 ARG 4 34.164 10.283 8.094
42 HG3 ARG 4 HG1 ARG 4 35.560 9.439 8.810
43 HD2 ARG 4 HD2 ARG 4 37.095 10.827 7.435
44 HD3 ARG 4 HD1 ARG 4 35.693 11.683 6.746
45 HE ARG 4 HE ARG 4 35.630 11.812 9.629
46 HH11 ARG 4 HH11 ARG 4 38.242 12.725 9.771
47 HH12 ARG 4 HH12 ARG 4 38.226 14.360 9.204
48 HH21 ARG 4 HH21 ARG 4 35.157 14.062 7.621
49 HH22 ARG 4 HH22 ARG 4 36.478 15.118 7.987
50 H ILE 5 HN ILE 5 35.613 5.472 6.884
51 HA ILE 5 HA ILE 5 35.854 3.862 5.239
52 HB ILE 5 HB ILE 5 33.226 4.822 4.032
53 HG12 ILE 5 HG12 ILE 5 33.693 3.138 6.536
54 HG13 ILE 5 HG11 ILE 5 32.870 4.711 6.445
55 HG21 ILE 5 HG21 ILE 5 32.995 2.545 3.331
56 HG22 ILE 5 HG22 ILE 5 34.290 1.993 4.421
57 HG23 ILE 5 HG23 ILE 5 34.688 2.967 2.985
58 HD11 ILE 5 HD1 ILE 5 31.099 3.127 6.506
59 HD12 ILE 5 HD2 ILE 5 31.929 2.028 5.381
60 HD13 ILE 5 HD3 ILE 5 31.239 3.558 4.785
61 H GLY 6 HN GLY 6 37.429 5.906 4.683
62 HA2 GLY 6 HA1 GLY 6 38.076 5.770 2.026
63 HA3 GLY 6 HA2 GLY 6 36.844 7.047 2.037
64 H LYS 7 HN LYS 7 37.640 7.895 4.793
65 HA LYS 7 HA LYS 7 39.035 9.513 5.692
66 HB2 LYS 7 HB2 LYS 7 40.653 7.546 5.487
67 HB3 LYS 7 HB1 LYS 7 41.247 8.304 3.990
68 HG2 LYS 7 HG2 LYS 7 41.567 10.451 5.418
69 HG3 LYS 7 HG1 LYS 7 41.357 9.392 6.831
70 HD2 LYS 7 HD2 LYS 7 43.430 8.977 4.630
71 HD3 LYS 7 HD1 LYS 7 43.762 9.707 6.217
72 HE2 LYS 7 HE2 LYS 7 42.794 7.547 7.240
73 HE3 LYS 7 HE1 LYS 7 42.910 6.854 5.605
74 HZ1 LYS 7 HZ1 LYS 7 45.026 6.435 6.059
75 HZ2 LYS 7 HZ2 LYS 7 44.966 7.300 7.520
76 HZ3 LYS 7 HZ3 LYS 7 45.325 8.105 6.068
77 H GLY 8 HN GLY 8 38.290 11.420 4.911
78 HA2 GLY 8 HA1 GLY 8 38.356 12.336 2.272
79 HA3 GLY 8 HA2 GLY 8 38.391 13.390 3.699
80 H VAL 9 HN VAL 9 39.863 12.907 0.876
81 HA VAL 9 HA VAL 9 42.664 12.903 1.668
82 HB VAL 9 HB VAL 9 42.880 13.839 -0.813
83 HG11 VAL 9 HG11 VAL 9 43.456 11.545 -0.226
84 HG12 VAL 9 HG12 VAL 9 42.458 11.520 -1.699
85 HG13 VAL 9 HG13 VAL 9 41.738 11.094 -0.129
86 HG21 VAL 9 HG21 VAL 9 40.951 13.587 -2.198
87 HG22 VAL 9 HG22 VAL 9 40.353 14.448 -0.761
88 HG23 VAL 9 HG23 VAL 9 40.053 12.705 -0.939
89 H LYS 10 HN LYS 10 41.828 15.424 -0.555
90 HA LYS 10 HA LYS 10 41.874 17.560 1.484
91 HB2 LYS 10 HB2 LYS 10 44.302 16.853 1.095
92 HB3 LYS 10 HB1 LYS 10 44.112 17.442 -0.574
93 HG2 LYS 10 HG2 LYS 10 43.418 19.677 0.343
94 HG3 LYS 10 HG1 LYS 10 43.753 19.070 1.983
95 HD2 LYS 10 HD2 LYS 10 46.093 18.746 1.469
96 HD3 LYS 10 HD1 LYS 10 45.815 19.070 -0.259
97 HE2 LYS 10 HE2 LYS 10 45.275 21.097 1.950
98 HE3 LYS 10 HE1 LYS 10 46.788 21.028 1.016
99 HZ1 LYS 10 HZ1 LYS 10 44.611 20.941 -0.763
100 HZ2 LYS 10 HZ2 LYS 10 45.803 22.143 -0.607
101 HZ3 LYS 10 HZ3 LYS 10 44.370 22.240 0.301
102 H ILE 11 HN ILE 11 41.531 16.337 -1.756
103 HA ILE 11 HA ILE 11 40.378 18.987 -2.646
104 HB ILE 11 HB ILE 11 41.388 16.765 -4.461
105 HG12 ILE 11 HG12 ILE 11 42.878 19.201 -3.378
106 HG13 ILE 11 HG11 ILE 11 43.272 17.496 -3.063
107 HG21 ILE 11 HG21 ILE 11 41.111 19.753 -4.988
108 HG22 ILE 11 HG22 ILE 11 39.777 18.609 -5.271
109 HG23 ILE 11 HG23 ILE 11 41.298 18.439 -6.174
110 HD11 ILE 11 HD1 ILE 11 43.468 17.267 -5.651
111 HD12 ILE 11 HD2 ILE 11 44.771 18.124 -4.794
112 HD13 ILE 11 HD3 ILE 11 43.523 19.047 -5.662
113 H ILE 12 HN ILE 12 40.137 15.428 -3.131
114 HA ILE 12 HA ILE 12 37.354 15.730 -4.087
115 HB ILE 12 HB ILE 12 38.992 13.243 -3.485
116 HG12 ILE 12 HG12 ILE 12 40.190 14.510 -5.148
117 HG13 ILE 12 HG11 ILE 12 39.369 13.189 -5.999
118 HG21 ILE 12 HG21 ILE 12 36.789 12.454 -3.653
119 HG22 ILE 12 HG22 ILE 12 37.283 12.365 -5.357
120 HG23 ILE 12 HG23 ILE 12 36.293 13.728 -4.787
121 HD11 ILE 12 HD1 ILE 12 38.931 15.069 -7.363
122 HD12 ILE 12 HD2 ILE 12 38.691 16.147 -5.971
123 HD13 ILE 12 HD3 ILE 12 37.452 14.941 -6.387
124 H GLY 13 HN GLY 13 38.099 12.934 -2.111
125 HA2 GLY 13 HA1 GLY 13 35.841 13.183 -0.445
126 HA3 GLY 13 HA2 GLY 13 37.318 12.292 -0.023
127 H GLY 14 HN GLY 14 38.567 15.016 -0.727
128 HA2 GLY 14 HA1 GLY 14 38.777 15.986 2.038
129 HA3 GLY 14 HA2 GLY 14 39.640 16.606 0.611
130 H ALA 15 HN ALA 15 37.649 17.268 -1.176
131 HA ALA 15 HA ALA 15 36.431 19.593 0.265
132 HB1 ALA 15 HB1 ALA 15 36.114 18.823 -2.655
133 HB2 ALA 15 HB2 ALA 15 37.475 19.793 -2.035
134 HB3 ALA 15 HB3 ALA 15 35.811 20.403 -1.900
135 H ALA 16 HN ALA 16 35.687 16.832 0.870
136 HA ALA 16 HA ALA 16 33.714 15.838 1.550
137 HB1 ALA 16 HB1 ALA 16 32.820 18.313 1.426
138 HB2 ALA 16 HB2 ALA 16 31.666 16.959 1.504
139 HB3 ALA 16 HB3 ALA 16 32.006 17.750 -0.053
140 H LEU 17 HN LEU 17 35.261 15.055 -0.749
141 HA LEU 17 HA LEU 17 35.032 13.718 -2.647
142 HB2 LEU 17 HB2 LEU 17 33.531 12.616 -0.650
143 HB3 LEU 17 HB1 LEU 17 32.261 12.832 -1.871
144 HG LEU 17 HG LEU 17 34.916 11.381 -2.318
145 HD11 LEU 17 HD11 LEU 17 32.070 10.344 -1.960
146 HD12 LEU 17 HD12 LEU 17 33.413 10.143 -0.810
147 HD13 LEU 17 HD13 LEU 17 33.478 9.350 -2.404
148 HD21 LEU 17 HD21 LEU 17 33.816 10.656 -4.441
149 HD22 LEU 17 HD22 LEU 17 34.045 12.419 -4.375
150 HD23 LEU 17 HD23 LEU 17 32.437 11.716 -4.069
151 H ASP 18 HN ASP 18 34.216 16.451 -2.932
152 HA ASP 18 HA ASP 18 33.061 17.817 -4.411
153 HB2 ASP 18 HB2 ASP 18 33.017 15.208 -5.975
154 HB3 ASP 18 HB1 ASP 18 32.541 16.785 -6.648
155 H HIS 19 HN HIS 19 31.278 14.911 -5.396
156 HA HIS 19 HA HIS 19 28.739 16.034 -5.423
157 HB2 HIS 19 HB2 HIS 19 29.480 13.202 -4.587
158 HB3 HIS 19 HB1 HIS 19 27.863 13.736 -5.109
159 HD1 HIS 19 HD1 HIS 19 31.479 13.747 -6.433
160 HD2 HIS 19 HD2 HIS 19 27.522 13.648 -7.855
161 HE1 HIS 19 HE1 HIS 19 31.587 13.418 -8.964
162 H LEU 20 HN LEU 20 29.942 14.003 -2.701
163 HA LEU 20 HA LEU 20 27.805 14.935 -0.957
164 HB2 LEU 20 HB2 LEU 20 30.326 13.286 -0.564
165 HB3 LEU 20 HB1 LEU 20 29.320 13.773 0.820
166 HG LEU 20 HG LEU 20 27.349 12.698 -0.229
167 HD11 LEU 20 HD11 LEU 20 27.751 12.856 -2.572
168 HD12 LEU 20 HD12 LEU 20 27.901 11.121 -2.218
169 HD13 LEU 20 HD13 LEU 20 29.362 12.114 -2.434
170 HD21 LEU 20 HD21 LEU 20 28.782 11.392 1.303
171 HD22 LEU 20 HD22 LEU 20 29.817 10.908 -0.062
172 HD23 LEU 20 HD23 LEU 20 28.128 10.347 0.019
Start of MODEL 10
1 H1 TRP 1 HT1 TRP 1 41.298 7.561 6.633
2 H2 TRP 1 HT2 TRP 1 39.734 7.158 7.161
3 H3 TRP 1 HT3 TRP 1 40.567 6.130 6.095
4 HA TRP 1 HA TRP 1 40.424 5.712 8.674
5 HB2 TRP 1 HB2 TRP 1 42.817 5.188 6.864
6 HB3 TRP 1 HB1 TRP 1 42.489 4.350 8.401
7 HD1 TRP 1 HD1 TRP 1 41.531 4.410 4.767
8 HE1 TRP 1 HE1 TRP 1 39.779 2.558 4.253
9 HE3 TRP 1 HE3 TRP 1 40.387 3.028 9.563
10 HZ2 TRP 1 HZ2 TRP 1 38.122 0.739 5.748
11 HZ3 TRP 1 HZ3 TRP 1 38.719 1.231 9.995
12 HH2 TRP 1 HH2 TRP 1 37.586 0.086 8.094
13 H LEU 2 HN LEU 2 42.677 5.414 10.033
14 HA LEU 2 HA LEU 2 43.967 6.583 11.563
15 HB2 LEU 2 HB2 LEU 2 44.696 7.857 8.925
16 HB3 LEU 2 HB1 LEU 2 45.465 8.404 10.429
17 HG LEU 2 HG LEU 2 46.743 6.614 9.152
18 HD11 LEU 2 HD11 LEU 2 46.787 7.031 11.761
19 HD12 LEU 2 HD12 LEU 2 47.556 5.577 11.093
20 HD13 LEU 2 HD13 LEU 2 45.956 5.461 11.849
21 HD21 LEU 2 HD21 LEU 2 44.541 4.749 10.141
22 HD22 LEU 2 HD22 LEU 2 45.938 4.342 9.117
23 HD23 LEU 2 HD23 LEU 2 44.635 5.369 8.476
24 H ARG 3 HN ARG 3 43.622 9.446 9.582
25 HA ARG 3 HA ARG 3 41.414 10.597 11.031
26 HB2 ARG 3 HB2 ARG 3 43.365 10.566 12.765
27 HB3 ARG 3 HB1 ARG 3 44.099 11.829 11.754
28 HG2 ARG 3 HG2 ARG 3 42.878 13.156 13.249
29 HG3 ARG 3 HG1 ARG 3 41.674 12.958 11.957
30 HD2 ARG 3 HD2 ARG 3 40.460 12.454 13.928
31 HD3 ARG 3 HD1 ARG 3 40.905 10.845 13.312
32 HE ARG 3 HE ARG 3 42.993 11.599 15.033
33 HH11 ARG 3 HH11 ARG 3 42.523 9.515 16.385
34 HH12 ARG 3 HH12 ARG 3 41.229 9.747 17.513
35 HH21 ARG 3 HH21 ARG 3 40.046 12.619 15.970
36 HH22 ARG 3 HH22 ARG 3 39.826 11.505 17.279
37 H ARG 4 HN ARG 4 43.887 10.446 8.765
38 HA ARG 4 HA ARG 4 42.645 12.467 7.095
39 HB2 ARG 4 HB2 ARG 4 44.622 13.950 6.910
40 HB3 ARG 4 HB1 ARG 4 43.938 13.971 8.554
41 HG2 ARG 4 HG2 ARG 4 45.637 12.182 9.177
42 HG3 ARG 4 HG1 ARG 4 46.399 12.456 7.591
43 HD2 ARG 4 HD2 ARG 4 46.047 14.471 9.847
44 HD3 ARG 4 HD1 ARG 4 47.573 13.832 9.193
45 HE ARG 4 HE ARG 4 46.198 15.055 7.040
46 HH11 ARG 4 HH11 ARG 4 45.556 16.924 9.394
47 HH12 ARG 4 HH12 ARG 4 46.840 18.077 9.249
48 HH21 ARG 4 HH21 ARG 4 48.743 16.087 7.140
49 HH22 ARG 4 HH22 ARG 4 48.644 17.603 7.972
50 H ILE 5 HN ILE 5 44.512 9.737 7.716
51 HA ILE 5 HA ILE 5 45.677 9.743 4.923
52 HB ILE 5 HB ILE 5 46.368 7.821 7.180
53 HG12 ILE 5 HG12 ILE 5 47.666 10.483 6.436
54 HG13 ILE 5 HG11 ILE 5 46.842 10.102 7.965
55 HG21 ILE 5 HG21 ILE 5 48.023 8.709 4.784
56 HG22 ILE 5 HG22 ILE 5 46.904 7.327 4.708
57 HG23 ILE 5 HG23 ILE 5 48.278 7.296 5.836
58 HD11 ILE 5 HD1 ILE 5 49.479 9.019 6.918
59 HD12 ILE 5 HD2 ILE 5 48.569 8.165 8.189
60 HD13 ILE 5 HD3 ILE 5 49.146 9.826 8.467
61 H GLY 6 HN GLY 6 43.189 9.384 4.536
62 HA2 GLY 6 HA1 GLY 6 42.801 6.912 3.382
63 HA3 GLY 6 HA2 GLY 6 42.253 6.663 5.052
64 H LYS 7 HN LYS 7 41.824 9.878 4.335
65 HA LYS 7 HA LYS 7 39.342 9.689 2.810
66 HB2 LYS 7 HB2 LYS 7 37.918 10.572 4.724
67 HB3 LYS 7 HB1 LYS 7 38.393 8.863 4.857
68 HG2 LYS 7 HG2 LYS 7 40.212 9.440 6.390
69 HG3 LYS 7 HG1 LYS 7 39.867 11.175 6.189
70 HD2 LYS 7 HD2 LYS 7 37.599 10.832 7.139
71 HD3 LYS 7 HD1 LYS 7 37.958 9.101 7.358
72 HE2 LYS 7 HE2 LYS 7 39.612 11.342 8.594
73 HE3 LYS 7 HE1 LYS 7 38.292 10.502 9.442
74 HZ1 LYS 7 HZ1 LYS 7 39.880 8.523 8.343
75 HZ2 LYS 7 HZ2 LYS 7 39.767 8.956 9.982
76 HZ3 LYS 7 HZ3 LYS 7 40.967 9.648 8.999
77 H GLY 8 HN GLY 8 41.620 11.436 4.845
78 HA2 GLY 8 HA1 GLY 8 40.561 14.074 4.158
79 HA3 GLY 8 HA2 GLY 8 42.082 13.716 5.002
80 H VAL 9 HN VAL 9 40.707 13.002 1.757
81 HA VAL 9 HA VAL 9 43.265 13.181 0.455
82 HB VAL 9 HB VAL 9 40.527 13.611 -0.814
83 HG11 VAL 9 HG11 VAL 9 42.370 14.167 -2.305
84 HG12 VAL 9 HG12 VAL 9 41.721 12.582 -2.790
85 HG13 VAL 9 HG13 VAL 9 43.236 12.677 -1.861
86 HG21 VAL 9 HG21 VAL 9 42.065 11.030 -0.272
87 HG22 VAL 9 HG22 VAL 9 40.552 11.159 -1.201
88 HG23 VAL 9 HG23 VAL 9 40.564 11.535 0.540
89 H LYS 10 HN LYS 10 40.972 15.543 1.519
90 HA LYS 10 HA LYS 10 41.103 17.852 1.540
91 HB2 LYS 10 HB2 LYS 10 43.661 17.329 1.643
92 HB3 LYS 10 HB1 LYS 10 43.673 17.786 -0.075
93 HG2 LYS 10 HG2 LYS 10 42.425 19.940 0.686
94 HG3 LYS 10 HG1 LYS 10 42.940 19.494 2.330
95 HD2 LYS 10 HD2 LYS 10 45.305 19.430 1.560
96 HD3 LYS 10 HD1 LYS 10 44.775 19.916 -0.069
97 HE2 LYS 10 HE2 LYS 10 44.313 21.534 2.476
98 HE3 LYS 10 HE1 LYS 10 45.583 21.861 1.271
99 HZ1 LYS 10 HZ1 LYS 10 42.645 22.068 0.965
100 HZ2 LYS 10 HZ2 LYS 10 43.660 21.914 -0.388
101 HZ3 LYS 10 HZ3 LYS 10 43.830 23.242 0.659
102 H ILE 11 HN ILE 11 41.361 15.997 -1.364
103 HA ILE 11 HA ILE 11 40.361 18.330 -3.004
104 HB ILE 11 HB ILE 11 41.525 15.723 -4.041
105 HG12 ILE 11 HG12 ILE 11 42.937 18.359 -3.417
106 HG13 ILE 11 HG11 ILE 11 43.229 16.791 -2.631
107 HG21 ILE 11 HG21 ILE 11 40.105 17.298 -5.515
108 HG22 ILE 11 HG22 ILE 11 41.730 16.907 -6.120
109 HG23 ILE 11 HG23 ILE 11 41.424 18.480 -5.343
110 HD11 ILE 11 HD1 ILE 11 43.884 17.633 -5.473
111 HD12 ILE 11 HD2 ILE 11 43.761 15.914 -5.027
112 HD13 ILE 11 HD3 ILE 11 44.968 16.956 -4.237
113 H ILE 12 HN ILE 12 40.026 14.788 -2.522
114 HA ILE 12 HA ILE 12 37.373 14.877 -3.894
115 HB ILE 12 HB ILE 12 38.985 12.539 -2.804
116 HG12 ILE 12 HG12 ILE 12 40.276 13.627 -4.542
117 HG13 ILE 12 HG11 ILE 12 39.596 12.134 -5.219
118 HG21 ILE 12 HG21 ILE 12 36.851 11.623 -3.042
119 HG22 ILE 12 HG22 ILE 12 37.431 11.395 -4.704
120 HG23 ILE 12 HG23 ILE 12 36.369 12.767 -4.313
121 HD11 ILE 12 HD1 ILE 12 38.794 15.010 -5.757
122 HD12 ILE 12 HD2 ILE 12 37.635 13.691 -6.037
123 HD13 ILE 12 HD3 ILE 12 39.176 13.720 -6.917
124 H GLY 13 HN GLY 13 37.906 12.388 -1.512
125 HA2 GLY 13 HA1 GLY 13 35.530 12.868 -0.083
126 HA3 GLY 13 HA2 GLY 13 36.959 12.043 0.580
127 H GLY 14 HN GLY 14 38.324 14.652 -0.350
128 HA2 GLY 14 HA1 GLY 14 38.219 15.986 2.277
129 HA3 GLY 14 HA2 GLY 14 39.281 16.378 0.909
130 H ALA 15 HN ALA 15 37.547 16.783 -1.200
131 HA ALA 15 HA ALA 15 36.288 19.344 -0.312
132 HB1 ALA 15 HB1 ALA 15 36.210 18.113 -3.085
133 HB2 ALA 15 HB2 ALA 15 37.602 19.050 -2.485
134 HB3 ALA 15 HB3 ALA 15 36.005 19.818 -2.626
135 H ALA 16 HN ALA 16 35.409 16.579 0.482
136 HA ALA 16 HA ALA 16 33.328 15.765 1.116
137 HB1 ALA 16 HB1 ALA 16 31.838 17.486 -0.872
138 HB2 ALA 16 HB2 ALA 16 32.534 18.233 0.584
139 HB3 ALA 16 HB3 ALA 16 31.340 16.925 0.741
140 H LEU 17 HN LEU 17 35.045 14.596 -0.771
141 HA LEU 17 HA LEU 17 34.979 12.913 -2.375
142 HB2 LEU 17 HB2 LEU 17 32.985 12.266 -0.784
143 HB3 LEU 17 HB1 LEU 17 31.958 12.810 -2.126
144 HG LEU 17 HG LEU 17 33.548 11.219 -3.584
145 HD11 LEU 17 HD11 LEU 17 33.763 10.028 -0.780
146 HD12 LEU 17 HD12 LEU 17 35.110 10.659 -1.753
147 HD13 LEU 17 HD13 LEU 17 34.236 9.206 -2.284
148 HD21 LEU 17 HD21 LEU 17 31.349 10.248 -1.706
149 HD22 LEU 17 HD22 LEU 17 31.991 9.295 -3.066
150 HD23 LEU 17 HD23 LEU 17 31.156 10.837 -3.373
151 H ASP 18 HN ASP 18 33.891 15.916 -2.834
152 HA ASP 18 HA ASP 18 33.274 17.162 -4.692
153 HB2 ASP 18 HB2 ASP 18 35.414 16.101 -5.500
154 HB3 ASP 18 HB1 ASP 18 34.431 14.834 -6.272
155 H HIS 19 HN HIS 19 31.254 15.471 -3.586
156 HA HIS 19 HA HIS 19 29.187 14.551 -4.120
157 HB2 HIS 19 HB2 HIS 19 29.492 16.326 -6.575
158 HB3 HIS 19 HB1 HIS 19 27.967 15.678 -5.925
159 HD1 HIS 19 HD1 HIS 19 29.422 18.782 -6.061
160 HD2 HIS 19 HD2 HIS 19 28.275 16.426 -2.769
161 HE1 HIS 19 HE1 HIS 19 29.108 20.355 -4.071
162 H LEU 20 HN LEU 20 30.991 12.694 -4.609
163 HA LEU 20 HA LEU 20 31.479 10.827 -5.887
164 HB2 LEU 20 HB2 LEU 20 29.138 10.318 -5.600
165 HB3 LEU 20 HB1 LEU 20 28.670 11.470 -6.869
166 HG LEU 20 HG LEU 20 29.653 10.083 -8.599
167 HD11 LEU 20 HD11 LEU 20 30.807 8.532 -6.248
168 HD12 LEU 20 HD12 LEU 20 31.669 9.256 -7.628
169 HD13 LEU 20 HD13 LEU 20 30.667 7.808 -7.869
170 HD21 LEU 20 HD21 LEU 20 28.292 8.063 -8.384
171 HD22 LEU 20 HD22 LEU 20 27.398 9.441 -7.700
172 HD23 LEU 20 HD23 LEU 20 28.198 8.275 -6.619
Start of MODEL 11
1 H1 TRP 1 HT1 TRP 1 44.642 9.981 -14.301
2 H2 TRP 1 HT2 TRP 1 44.868 11.576 -13.761
3 H3 TRP 1 HT3 TRP 1 43.443 10.736 -13.370
4 HA TRP 1 HA TRP 1 45.041 10.915 -11.535
5 HB2 TRP 1 HB2 TRP 1 44.854 8.520 -10.913
6 HB3 TRP 1 HB1 TRP 1 43.329 9.155 -11.576
7 HD1 TRP 1 HD1 TRP 1 42.797 8.541 -14.176
8 HE1 TRP 1 HE1 TRP 1 43.409 6.445 -15.588
9 HE3 TRP 1 HE3 TRP 1 46.592 6.695 -11.275
10 HZ2 TRP 1 HZ2 TRP 1 45.301 4.277 -15.448
11 HZ3 TRP 1 HZ3 TRP 1 47.787 4.612 -11.936
12 HH2 TRP 1 HH2 TRP 1 47.145 3.402 -14.016
13 H LEU 2 HN LEU 2 47.136 11.215 -11.207
14 HA LEU 2 HA LEU 2 49.120 10.222 -13.086
15 HB2 LEU 2 HB2 LEU 2 49.249 11.655 -10.412
16 HB3 LEU 2 HB1 LEU 2 50.722 11.104 -11.244
17 HG LEU 2 HG LEU 2 50.167 12.442 -13.215
18 HD11 LEU 2 HD11 LEU 2 48.150 14.067 -12.956
19 HD12 LEU 2 HD12 LEU 2 47.585 12.954 -11.687
20 HD13 LEU 2 HD13 LEU 2 47.795 12.372 -13.358
21 HD21 LEU 2 HD21 LEU 2 51.375 13.541 -11.347
22 HD22 LEU 2 HD22 LEU 2 49.822 14.030 -10.628
23 HD23 LEU 2 HD23 LEU 2 50.327 14.700 -12.199
24 H ARG 3 HN ARG 3 49.203 9.813 -9.550
25 HA ARG 3 HA ARG 3 49.428 6.855 -9.852
26 HB2 ARG 3 HB2 ARG 3 51.760 7.749 -10.041
27 HB3 ARG 3 HB1 ARG 3 51.555 8.539 -8.460
28 HG2 ARG 3 HG2 ARG 3 51.307 6.429 -7.332
29 HG3 ARG 3 HG1 ARG 3 51.147 5.550 -8.871
30 HD2 ARG 3 HD2 ARG 3 53.484 6.214 -9.458
31 HD3 ARG 3 HD1 ARG 3 53.634 7.006 -7.872
32 HE ARG 3 HE ARG 3 54.021 4.232 -8.313
33 HH11 ARG 3 HH11 ARG 3 52.208 2.921 -7.069
34 HH12 ARG 3 HH12 ARG 3 52.165 3.342 -5.390
35 HH21 ARG 3 HH21 ARG 3 53.975 6.269 -5.803
36 HH22 ARG 3 HH22 ARG 3 53.164 5.237 -4.672
37 H ARG 4 HN ARG 4 48.554 9.718 -8.257
38 HA ARG 4 HA ARG 4 47.157 8.201 -6.164
39 HB2 ARG 4 HB2 ARG 4 48.180 9.625 -4.323
40 HB3 ARG 4 HB1 ARG 4 49.264 8.393 -5.014
41 HG2 ARG 4 HG2 ARG 4 50.374 10.046 -6.400
42 HG3 ARG 4 HG1 ARG 4 49.189 11.295 -5.945
43 HD2 ARG 4 HD2 ARG 4 51.406 11.413 -4.696
44 HD3 ARG 4 HD1 ARG 4 49.962 11.314 -3.660
45 HE ARG 4 HE ARG 4 51.107 8.693 -4.264
46 HH11 ARG 4 HH11 ARG 4 53.176 10.680 -3.026
47 HH12 ARG 4 HH12 ARG 4 53.055 10.229 -1.358
48 HH21 ARG 4 HH21 ARG 4 50.108 8.451 -1.778
49 HH22 ARG 4 HH22 ARG 4 51.318 8.967 -0.652
50 H ILE 5 HN ILE 5 47.226 10.462 -8.463
51 HA ILE 5 HA ILE 5 45.934 12.326 -8.936
52 HB ILE 5 HB ILE 5 44.141 11.555 -6.596
53 HG12 ILE 5 HG12 ILE 5 44.308 10.282 -9.366
54 HG13 ILE 5 HG11 ILE 5 44.668 9.485 -7.818
55 HG21 ILE 5 HG21 ILE 5 43.786 13.665 -8.054
56 HG22 ILE 5 HG22 ILE 5 42.406 12.555 -7.896
57 HG23 ILE 5 HG23 ILE 5 43.394 12.544 -9.378
58 HD11 ILE 5 HD1 ILE 5 42.444 8.813 -8.324
59 HD12 ILE 5 HD2 ILE 5 41.985 10.442 -8.872
60 HD13 ILE 5 HD3 ILE 5 42.243 10.124 -7.138
61 H GLY 6 HN GLY 6 48.134 13.002 -7.565
62 HA2 GLY 6 HA1 GLY 6 49.043 14.530 -6.068
63 HA3 GLY 6 HA2 GLY 6 47.651 15.523 -6.540
64 H LYS 7 HN LYS 7 47.835 12.482 -4.657
65 HA LYS 7 HA LYS 7 46.968 11.984 -2.563
66 HB2 LYS 7 HB2 LYS 7 48.854 13.410 -1.851
67 HB3 LYS 7 HB1 LYS 7 47.817 14.850 -1.986
68 HG2 LYS 7 HG2 LYS 7 46.390 14.117 -0.205
69 HG3 LYS 7 HG1 LYS 7 47.089 12.481 -0.219
70 HD2 LYS 7 HD2 LYS 7 47.933 13.894 1.679
71 HD3 LYS 7 HD1 LYS 7 49.228 13.331 0.597
72 HE2 LYS 7 HE2 LYS 7 49.477 15.467 -0.410
73 HE3 LYS 7 HE1 LYS 7 47.896 16.031 0.181
74 HZ1 LYS 7 HZ1 LYS 7 49.743 15.196 2.250
75 HZ2 LYS 7 HZ2 LYS 7 48.746 16.568 2.167
76 HZ3 LYS 7 HZ3 LYS 7 50.248 16.555 1.371
77 H GLY 8 HN GLY 8 44.820 11.703 -3.166
78 HA2 GLY 8 HA1 GLY 8 42.951 13.809 -3.553
79 HA3 GLY 8 HA2 GLY 8 42.557 12.139 -3.107
80 H VAL 9 HN VAL 9 40.956 12.536 -1.663
81 HA VAL 9 HA VAL 9 40.010 13.106 0.368
82 HB VAL 9 HB VAL 9 42.883 13.314 1.363
83 HG11 VAL 9 HG11 VAL 9 40.202 12.837 2.734
84 HG12 VAL 9 HG12 VAL 9 41.271 14.245 2.940
85 HG13 VAL 9 HG13 VAL 9 41.781 12.646 3.531
86 HG21 VAL 9 HG21 VAL 9 40.985 10.944 1.085
87 HG22 VAL 9 HG22 VAL 9 42.473 10.914 2.062
88 HG23 VAL 9 HG23 VAL 9 42.568 11.149 0.300
89 H LYS 10 HN LYS 10 43.000 15.016 0.799
90 HA LYS 10 HA LYS 10 41.846 17.315 1.833
91 HB2 LYS 10 HB2 LYS 10 44.329 16.753 1.437
92 HB3 LYS 10 HB1 LYS 10 44.108 17.431 -0.193
93 HG2 LYS 10 HG2 LYS 10 43.116 19.516 1.047
94 HG3 LYS 10 HG1 LYS 10 43.874 18.830 2.500
95 HD2 LYS 10 HD2 LYS 10 45.346 19.427 -0.106
96 HD3 LYS 10 HD1 LYS 10 45.331 20.497 1.316
97 HE2 LYS 10 HE2 LYS 10 46.214 18.509 2.667
98 HE3 LYS 10 HE1 LYS 10 46.478 17.686 1.112
99 HZ1 LYS 10 HZ1 LYS 10 48.141 19.101 0.542
100 HZ2 LYS 10 HZ2 LYS 10 48.322 19.183 2.229
101 HZ3 LYS 10 HZ3 LYS 10 47.500 20.415 1.399
102 H ILE 11 HN ILE 11 41.544 16.077 -1.358
103 HA ILE 11 HA ILE 11 40.370 18.674 -2.352
104 HB ILE 11 HB ILE 11 41.197 16.266 -4.004
105 HG12 ILE 11 HG12 ILE 11 42.839 18.712 -3.199
106 HG13 ILE 11 HG11 ILE 11 43.183 17.016 -2.786
107 HG21 ILE 11 HG21 ILE 11 39.623 18.100 -4.909
108 HG22 ILE 11 HG22 ILE 11 41.092 17.789 -5.860
109 HG23 ILE 11 HG23 ILE 11 41.011 19.208 -4.787
110 HD11 ILE 11 HD1 ILE 11 43.234 16.604 -5.357
111 HD12 ILE 11 HD2 ILE 11 44.612 17.463 -4.629
112 HD13 ILE 11 HD3 ILE 11 43.354 18.375 -5.496
113 H ILE 12 HN ILE 12 39.999 15.125 -2.299
114 HA ILE 12 HA ILE 12 37.348 15.162 -3.490
115 HB ILE 12 HB ILE 12 38.792 13.085 -1.828
116 HG12 ILE 12 HG12 ILE 12 38.555 13.317 -4.872
117 HG13 ILE 12 HG11 ILE 12 39.962 13.873 -3.941
118 HG21 ILE 12 HG21 ILE 12 36.273 12.990 -3.547
119 HG22 ILE 12 HG22 ILE 12 36.497 12.409 -1.882
120 HG23 ILE 12 HG23 ILE 12 37.214 11.518 -3.233
121 HD11 ILE 12 HD1 ILE 12 40.699 11.735 -4.514
122 HD12 ILE 12 HD2 ILE 12 39.062 11.053 -4.541
123 HD13 ILE 12 HD3 ILE 12 39.876 11.348 -2.986
124 H GLY 13 HN GLY 13 37.858 13.392 -0.474
125 HA2 GLY 13 HA1 GLY 13 35.380 14.173 0.675
126 HA3 GLY 13 HA2 GLY 13 36.778 13.528 1.566
127 H GLY 14 HN GLY 14 38.139 15.811 -0.068
128 HA2 GLY 14 HA1 GLY 14 38.107 17.753 2.172
129 HA3 GLY 14 HA2 GLY 14 39.099 17.821 0.704
130 H ALA 15 HN ALA 15 37.212 17.647 -1.316
131 HA ALA 15 HA ALA 15 35.959 20.347 -1.062
132 HB1 ALA 15 HB1 ALA 15 35.396 20.054 -3.429
133 HB2 ALA 15 HB2 ALA 15 35.961 18.368 -3.378
134 HB3 ALA 15 HB3 ALA 15 37.120 19.705 -3.165
135 H ALA 16 HN ALA 16 35.158 18.123 0.616
136 HA ALA 16 HA ALA 16 33.175 17.357 1.498
137 HB1 ALA 16 HB1 ALA 16 32.296 19.607 0.483
138 HB2 ALA 16 HB2 ALA 16 31.125 18.344 0.934
139 HB3 ALA 16 HB3 ALA 16 31.580 18.570 -0.772
140 H LEU 17 HN LEU 17 34.840 15.837 -0.302
141 HA LEU 17 HA LEU 17 34.684 13.877 -1.554
142 HB2 LEU 17 HB2 LEU 17 32.991 13.554 0.520
143 HB3 LEU 17 HB1 LEU 17 31.789 13.475 -0.782
144 HG LEU 17 HG LEU 17 34.314 11.752 -0.653
145 HD11 LEU 17 HD11 LEU 17 32.763 9.927 -0.024
146 HD12 LEU 17 HD12 LEU 17 31.413 11.086 0.016
147 HD13 LEU 17 HD13 LEU 17 32.745 11.230 1.187
148 HD21 LEU 17 HD21 LEU 17 33.510 12.043 -2.940
149 HD22 LEU 17 HD22 LEU 17 31.832 11.730 -2.430
150 HD23 LEU 17 HD23 LEU 17 33.036 10.422 -2.381
151 H ASP 18 HN ASP 18 34.427 16.078 -3.064
152 HA ASP 18 HA ASP 18 33.624 16.857 -5.091
153 HB2 ASP 18 HB2 ASP 18 32.754 13.951 -5.363
154 HB3 ASP 18 HB1 ASP 18 32.800 15.135 -6.691
155 H HIS 19 HN HIS 19 31.084 14.389 -4.732
156 HA HIS 19 HA HIS 19 29.109 16.304 -3.750
157 HB2 HIS 19 HB2 HIS 19 27.676 16.252 -5.780
158 HB3 HIS 19 HB1 HIS 19 29.225 17.078 -6.073
159 HD1 HIS 19 HD1 HIS 19 30.519 13.913 -5.976
160 HD2 HIS 19 HD2 HIS 19 27.866 15.708 -8.703
161 HE1 HIS 19 HE1 HIS 19 30.648 12.582 -8.153
162 H LEU 20 HN LEU 20 29.852 13.972 -2.630
163 HA LEU 20 HA LEU 20 29.077 11.891 -1.953
164 HB2 LEU 20 HB2 LEU 20 26.322 12.774 -2.871
165 HB3 LEU 20 HB1 LEU 20 26.766 11.782 -1.461
166 HG LEU 20 HG LEU 20 27.331 14.756 -1.846
167 HD11 LEU 20 HD11 LEU 20 24.993 14.198 -1.253
168 HD12 LEU 20 HD12 LEU 20 25.824 14.986 0.111
169 HD13 LEU 20 HD13 LEU 20 25.570 13.223 0.119
170 HD21 LEU 20 HD21 LEU 20 28.126 14.525 0.594
171 HD22 LEU 20 HD22 LEU 20 29.209 13.854 -0.648
172 HD23 LEU 20 HD23 LEU 20 28.171 12.768 0.307
Start of MODEL 12
1 H1 TRP 1 HT1 TRP 1 51.090 3.445 4.185
2 H2 TRP 1 HT2 TRP 1 50.811 5.055 4.653
3 H3 TRP 1 HT3 TRP 1 50.506 4.565 3.054
4 HA TRP 1 HA TRP 1 49.107 2.965 4.922
5 HB2 TRP 1 HB2 TRP 1 48.392 5.918 4.836
6 HB3 TRP 1 HB1 TRP 1 47.591 4.637 5.776
7 HD1 TRP 1 HD1 TRP 1 49.523 3.249 7.428
8 HE1 TRP 1 HE1 TRP 1 51.213 4.344 9.073
9 HE3 TRP 1 HE3 TRP 1 49.664 7.957 5.422
10 HZ2 TRP 1 HZ2 TRP 1 52.442 6.923 9.439
11 HZ3 TRP 1 HZ3 TRP 1 51.102 9.719 6.435
12 HH2 TRP 1 HH2 TRP 1 52.490 9.207 8.440
13 H LEU 2 HN LEU 2 46.761 2.951 4.271
14 HA LEU 2 HA LEU 2 46.629 2.758 1.372
15 HB2 LEU 2 HB2 LEU 2 44.238 2.717 3.243
16 HB3 LEU 2 HB1 LEU 2 44.464 1.853 1.703
17 HG LEU 2 HG LEU 2 45.934 1.325 4.324
18 HD11 LEU 2 HD11 LEU 2 44.775 -0.841 4.224
19 HD12 LEU 2 HD12 LEU 2 44.015 -0.385 2.680
20 HD13 LEU 2 HD13 LEU 2 43.588 0.483 4.174
21 HD21 LEU 2 HD21 LEU 2 46.847 -0.664 2.959
22 HD22 LEU 2 HD22 LEU 2 47.526 0.933 2.570
23 HD23 LEU 2 HD23 LEU 2 46.292 0.208 1.511
24 H ARG 3 HN ARG 3 46.396 5.326 3.520
25 HA ARG 3 HA ARG 3 45.878 7.547 3.164
26 HB2 ARG 3 HB2 ARG 3 46.572 6.919 0.705
27 HB3 ARG 3 HB1 ARG 3 44.828 6.958 0.379
28 HG2 ARG 3 HG2 ARG 3 45.399 9.182 -0.083
29 HG3 ARG 3 HG1 ARG 3 44.936 9.311 1.628
30 HD2 ARG 3 HD2 ARG 3 47.303 9.188 2.305
31 HD3 ARG 3 HD1 ARG 3 47.795 8.935 0.615
32 HE ARG 3 HE ARG 3 47.107 11.488 1.828
33 HH11 ARG 3 HH11 ARG 3 49.102 11.438 -0.272
34 HH12 ARG 3 HH12 ARG 3 48.249 11.993 -1.674
35 HH21 ARG 3 HH21 ARG 3 45.110 11.417 -0.318
36 HH22 ARG 3 HH22 ARG 3 45.989 11.981 -1.700
37 H ARG 4 HN ARG 4 43.421 5.705 1.278
38 HA ARG 4 HA ARG 4 41.219 7.304 2.038
39 HB2 ARG 4 HB2 ARG 4 41.487 4.392 1.223
40 HB3 ARG 4 HB1 ARG 4 39.900 5.079 1.640
41 HG2 ARG 4 HG2 ARG 4 40.339 5.199 -0.806
42 HG3 ARG 4 HG1 ARG 4 40.174 6.817 -0.088
43 HD2 ARG 4 HD2 ARG 4 42.526 7.207 -0.156
44 HD3 ARG 4 HD1 ARG 4 42.885 5.486 -0.445
45 HE ARG 4 HE ARG 4 41.304 6.308 -2.615
46 HH11 ARG 4 HH11 ARG 4 43.710 8.192 -1.215
47 HH12 ARG 4 HH12 ARG 4 44.699 8.293 -2.633
48 HH21 ARG 4 HH21 ARG 4 42.826 5.991 -4.426
49 HH22 ARG 4 HH22 ARG 4 44.199 7.047 -4.451
50 H ILE 5 HN ILE 5 42.997 4.864 3.816
51 HA ILE 5 HA ILE 5 41.080 4.113 5.748
52 HB ILE 5 HB ILE 5 43.391 3.154 5.574
53 HG12 ILE 5 HG12 ILE 5 42.743 4.316 8.326
54 HG13 ILE 5 HG11 ILE 5 41.952 2.887 7.623
55 HG21 ILE 5 HG21 ILE 5 44.294 5.628 7.103
56 HG22 ILE 5 HG22 ILE 5 44.465 5.477 5.338
57 HG23 ILE 5 HG23 ILE 5 45.301 4.333 6.413
58 HD11 ILE 5 HD1 ILE 5 43.682 2.003 8.998
59 HD12 ILE 5 HD2 ILE 5 44.857 3.219 8.449
60 HD13 ILE 5 HD3 ILE 5 44.342 1.917 7.348
61 H GLY 6 HN GLY 6 43.052 7.050 5.468
62 HA2 GLY 6 HA1 GLY 6 42.269 8.078 8.077
63 HA3 GLY 6 HA2 GLY 6 43.093 8.969 6.782
64 H LYS 7 HN LYS 7 40.879 8.026 4.901
65 HA LYS 7 HA LYS 7 38.909 8.913 4.078
66 HB2 LYS 7 HB2 LYS 7 38.092 7.927 6.305
67 HB3 LYS 7 HB1 LYS 7 38.154 9.585 6.946
68 HG2 LYS 7 HG2 LYS 7 36.616 10.346 5.171
69 HG3 LYS 7 HG1 LYS 7 36.571 8.700 4.491
70 HD2 LYS 7 HD2 LYS 7 35.702 7.874 6.707
71 HD3 LYS 7 HD1 LYS 7 35.603 9.567 7.250
72 HE2 LYS 7 HE2 LYS 7 34.126 8.312 4.895
73 HE3 LYS 7 HE1 LYS 7 33.413 8.891 6.420
74 HZ1 LYS 7 HZ1 LYS 7 34.656 11.085 5.678
75 HZ2 LYS 7 HZ2 LYS 7 33.090 10.714 5.132
76 HZ3 LYS 7 HZ3 LYS 7 34.432 10.415 4.136
77 H GLY 8 HN GLY 8 38.367 10.796 3.141
78 HA2 GLY 8 HA1 GLY 8 38.171 13.099 2.852
79 HA3 GLY 8 HA2 GLY 8 38.671 13.346 4.535
80 H VAL 9 HN VAL 9 39.684 13.064 1.197
81 HA VAL 9 HA VAL 9 42.534 13.145 1.763
82 HB VAL 9 HB VAL 9 41.024 13.882 -0.788
83 HG11 VAL 9 HG11 VAL 9 43.961 13.363 -0.161
84 HG12 VAL 9 HG12 VAL 9 43.247 14.825 -0.881
85 HG13 VAL 9 HG13 VAL 9 43.299 13.311 -1.813
86 HG21 VAL 9 HG21 VAL 9 42.377 11.300 0.112
87 HG22 VAL 9 HG22 VAL 9 41.660 11.587 -1.491
88 HG23 VAL 9 HG23 VAL 9 40.622 11.557 -0.045
89 H LYS 10 HN LYS 10 41.164 15.592 -0.383
90 HA LYS 10 HA LYS 10 41.329 17.797 1.464
91 HB2 LYS 10 HB2 LYS 10 43.788 17.152 1.236
92 HB3 LYS 10 HB1 LYS 10 43.666 17.622 -0.475
93 HG2 LYS 10 HG2 LYS 10 42.914 19.890 0.210
94 HG3 LYS 10 HG1 LYS 10 43.074 19.418 1.920
95 HD2 LYS 10 HD2 LYS 10 45.498 18.891 1.486
96 HD3 LYS 10 HD1 LYS 10 45.299 19.544 -0.159
97 HE2 LYS 10 HE2 LYS 10 44.610 21.727 0.779
98 HE3 LYS 10 HE1 LYS 10 44.783 21.079 2.428
99 HZ1 LYS 10 HZ1 LYS 10 46.788 22.163 1.998
100 HZ2 LYS 10 HZ2 LYS 10 46.893 21.580 0.407
101 HZ3 LYS 10 HZ3 LYS 10 47.153 20.531 1.717
102 H ILE 11 HN ILE 11 41.194 16.411 -1.721
103 HA ILE 11 HA ILE 11 39.865 18.924 -2.750
104 HB ILE 11 HB ILE 11 41.473 16.968 -4.435
105 HG12 ILE 11 HG12 ILE 11 42.347 19.610 -3.172
106 HG13 ILE 11 HG11 ILE 11 42.991 17.996 -2.792
107 HG21 ILE 11 HG21 ILE 11 39.676 18.515 -5.451
108 HG22 ILE 11 HG22 ILE 11 41.308 18.653 -6.140
109 HG23 ILE 11 HG23 ILE 11 40.725 19.874 -4.983
110 HD11 ILE 11 HD1 ILE 11 43.569 17.847 -5.329
111 HD12 ILE 11 HD2 ILE 11 44.575 18.902 -4.309
112 HD13 ILE 11 HD3 ILE 11 43.313 19.609 -5.343
113 H ILE 12 HN ILE 12 40.230 15.374 -3.065
114 HA ILE 12 HA ILE 12 37.641 15.213 -4.510
115 HB ILE 12 HB ILE 12 39.559 13.036 -3.590
116 HG12 ILE 12 HG12 ILE 12 39.263 14.337 -6.340
117 HG13 ILE 12 HG11 ILE 12 40.562 14.702 -5.184
118 HG21 ILE 12 HG21 ILE 12 38.380 11.662 -5.329
119 HG22 ILE 12 HG22 ILE 12 37.269 13.019 -5.618
120 HG23 ILE 12 HG23 ILE 12 37.277 12.192 -4.045
121 HD11 ILE 12 HD1 ILE 12 41.612 13.087 -6.515
122 HD12 ILE 12 HD2 ILE 12 40.106 12.193 -6.812
123 HD13 ILE 12 HD3 ILE 12 40.930 12.051 -5.240
124 H GLY 13 HN GLY 13 38.599 12.686 -2.249
125 HA2 GLY 13 HA1 GLY 13 36.061 12.645 -0.942
126 HA3 GLY 13 HA2 GLY 13 37.568 11.940 -0.308
127 H GLY 14 HN GLY 14 38.490 14.839 -1.034
128 HA2 GLY 14 HA1 GLY 14 38.288 15.884 1.715
129 HA3 GLY 14 HA2 GLY 14 39.224 16.567 0.368
130 H ALA 15 HN ALA 15 37.322 16.840 -1.650
131 HA ALA 15 HA ALA 15 35.725 19.091 -0.491
132 HB1 ALA 15 HB1 ALA 15 35.780 18.052 -3.348
133 HB2 ALA 15 HB2 ALA 15 36.897 19.286 -2.710
134 HB3 ALA 15 HB3 ALA 15 35.152 19.613 -2.775
135 H ALA 16 HN ALA 16 35.282 16.329 0.314
136 HA ALA 16 HA ALA 16 33.432 15.084 0.898
137 HB1 ALA 16 HB1 ALA 16 31.262 15.931 0.677
138 HB2 ALA 16 HB2 ALA 16 31.609 16.720 -0.880
139 HB3 ALA 16 HB3 ALA 16 32.242 17.414 0.631
140 H LEU 17 HN LEU 17 35.214 14.446 -1.271
141 HA LEU 17 HA LEU 17 35.279 13.043 -3.133
142 HB2 LEU 17 HB2 LEU 17 33.847 11.777 -1.217
143 HB3 LEU 17 HB1 LEU 17 32.585 11.858 -2.462
144 HG LEU 17 HG LEU 17 35.390 10.715 -2.897
145 HD11 LEU 17 HD11 LEU 17 33.946 9.403 -1.300
146 HD12 LEU 17 HD12 LEU 17 34.338 8.525 -2.799
147 HD13 LEU 17 HD13 LEU 17 32.729 9.260 -2.593
148 HD21 LEU 17 HD21 LEU 17 34.302 9.780 -4.967
149 HD22 LEU 17 HD22 LEU 17 34.394 11.556 -4.968
150 HD23 LEU 17 HD23 LEU 17 32.853 10.744 -4.596
151 H ASP 18 HN ASP 18 34.421 15.556 -3.768
152 HA ASP 18 HA ASP 18 33.216 16.764 -5.346
153 HB2 ASP 18 HB2 ASP 18 33.329 14.033 -6.681
154 HB3 ASP 18 HB1 ASP 18 32.790 15.519 -7.499
155 H HIS 19 HN HIS 19 31.613 16.063 -3.238
156 HA HIS 19 HA HIS 19 29.397 15.712 -2.634
157 HB2 HIS 19 HB2 HIS 19 28.923 16.682 -5.481
158 HB3 HIS 19 HB1 HIS 19 27.720 16.662 -4.169
159 HD1 HIS 19 HD1 HIS 19 27.721 18.581 -2.521
160 HD2 HIS 19 HD2 HIS 19 31.104 18.565 -5.019
161 HE1 HIS 19 HE1 HIS 19 29.010 20.742 -2.073
162 H LEU 20 HN LEU 20 30.673 13.367 -3.390
163 HA LEU 20 HA LEU 20 30.231 11.198 -4.097
164 HB2 LEU 20 HB2 LEU 20 27.452 12.269 -3.500
165 HB3 LEU 20 HB1 LEU 20 27.697 10.594 -4.050
166 HG LEU 20 HG LEU 20 29.192 10.152 -2.154
167 HD11 LEU 20 HD11 LEU 20 29.276 11.995 -0.327
168 HD12 LEU 20 HD12 LEU 20 28.766 13.116 -1.614
169 HD13 LEU 20 HD13 LEU 20 30.300 12.223 -1.763
170 HD21 LEU 20 HD21 LEU 20 27.532 10.243 -0.375
171 HD22 LEU 20 HD22 LEU 20 26.684 9.944 -1.912
172 HD23 LEU 20 HD23 LEU 20 26.670 11.570 -1.188
Start of MODEL 13
1 H1 TRP 1 HT1 TRP 1 37.017 4.832 11.206
2 H2 TRP 1 HT2 TRP 1 38.155 4.598 9.966
3 H3 TRP 1 HT3 TRP 1 36.891 3.484 10.187
4 HA TRP 1 HA TRP 1 36.457 4.877 8.310
5 HB2 TRP 1 HB2 TRP 1 34.659 5.640 10.639
6 HB3 TRP 1 HB1 TRP 1 34.220 5.523 8.918
7 HD1 TRP 1 HD1 TRP 1 33.901 3.115 7.886
8 HE1 TRP 1 HE1 TRP 1 33.556 0.756 8.924
9 HE3 TRP 1 HE3 TRP 1 35.327 4.134 12.696
10 HZ2 TRP 1 HZ2 TRP 1 33.868 -0.488 11.502
11 HZ3 TRP 1 HZ3 TRP 1 35.295 2.345 14.429
12 HH2 TRP 1 HH2 TRP 1 34.567 0.037 13.836
13 H LEU 2 HN LEU 2 38.536 6.274 8.587
14 HA LEU 2 HA LEU 2 39.427 8.407 8.449
15 HB2 LEU 2 HB2 LEU 2 36.607 9.502 8.599
16 HB3 LEU 2 HB1 LEU 2 38.028 10.223 7.817
17 HG LEU 2 HG LEU 2 36.503 7.733 6.938
18 HD11 LEU 2 HD11 LEU 2 37.048 10.427 5.617
19 HD12 LEU 2 HD12 LEU 2 35.498 9.900 6.313
20 HD13 LEU 2 HD13 LEU 2 36.156 9.077 4.879
21 HD21 LEU 2 HD21 LEU 2 38.801 7.204 6.523
22 HD22 LEU 2 HD22 LEU 2 39.183 8.874 6.045
23 HD23 LEU 2 HD23 LEU 2 38.195 7.845 4.979
24 H ARG 3 HN ARG 3 37.617 7.337 11.048
25 HA ARG 3 HA ARG 3 37.988 7.758 13.309
26 HB2 ARG 3 HB2 ARG 3 40.167 9.000 12.471
27 HB3 ARG 3 HB1 ARG 3 39.225 10.478 12.776
28 HG2 ARG 3 HG2 ARG 3 38.735 9.536 15.106
29 HG3 ARG 3 HG1 ARG 3 39.964 8.296 14.767
30 HD2 ARG 3 HD2 ARG 3 40.385 11.317 14.768
31 HD3 ARG 3 HD1 ARG 3 41.008 10.160 15.967
32 HE ARG 3 HE ARG 3 42.137 10.664 13.319
33 HH11 ARG 3 HH11 ARG 3 43.065 9.571 16.211
34 HH12 ARG 3 HH12 ARG 3 43.861 8.129 15.679
35 HH21 ARG 3 HH21 ARG 3 42.573 8.286 12.463
36 HH22 ARG 3 HH22 ARG 3 43.584 7.401 13.557
37 H ARG 4 HN ARG 4 37.624 11.075 11.970
38 HA ARG 4 HA ARG 4 35.242 11.450 13.711
39 HB2 ARG 4 HB2 ARG 4 36.768 13.344 11.879
40 HB3 ARG 4 HB1 ARG 4 35.396 13.808 12.916
41 HG2 ARG 4 HG2 ARG 4 36.690 12.913 14.898
42 HG3 ARG 4 HG1 ARG 4 38.086 12.693 13.815
43 HD2 ARG 4 HD2 ARG 4 38.242 14.854 15.002
44 HD3 ARG 4 HD1 ARG 4 38.026 15.112 13.255
45 HE ARG 4 HE ARG 4 35.438 15.136 14.299
46 HH11 ARG 4 HH11 ARG 4 37.766 16.352 16.266
47 HH12 ARG 4 HH12 ARG 4 37.294 18.015 16.152
48 HH21 ARG 4 HH21 ARG 4 35.087 17.482 13.532
49 HH22 ARG 4 HH22 ARG 4 35.777 18.655 14.602
50 H ILE 5 HN ILE 5 35.656 9.974 10.854
51 HA ILE 5 HA ILE 5 34.285 9.589 9.022
52 HB ILE 5 HB ILE 5 32.029 10.807 10.667
53 HG12 ILE 5 HG12 ILE 5 33.250 8.012 10.817
54 HG13 ILE 5 HG11 ILE 5 33.289 9.246 12.098
55 HG21 ILE 5 HG21 ILE 5 31.723 10.094 8.208
56 HG22 ILE 5 HG22 ILE 5 30.618 9.353 9.386
57 HG23 ILE 5 HG23 ILE 5 32.006 8.428 8.764
58 HD11 ILE 5 HD1 ILE 5 31.483 7.833 12.715
59 HD12 ILE 5 HD2 ILE 5 30.905 7.690 11.039
60 HD13 ILE 5 HD3 ILE 5 30.688 9.217 11.930
61 H GLY 6 HN GLY 6 35.644 11.474 8.155
62 HA2 GLY 6 HA1 GLY 6 34.120 13.048 6.446
63 HA3 GLY 6 HA2 GLY 6 34.312 14.047 7.899
64 H LYS 7 HN LYS 7 36.991 12.478 8.259
65 HA LYS 7 HA LYS 7 38.602 14.533 6.931
66 HB2 LYS 7 HB2 LYS 7 39.731 12.045 8.249
67 HB3 LYS 7 HB1 LYS 7 40.412 13.685 8.187
68 HG2 LYS 7 HG2 LYS 7 37.957 12.791 9.770
69 HG3 LYS 7 HG1 LYS 7 39.546 13.214 10.438
70 HD2 LYS 7 HD2 LYS 7 37.639 15.102 8.980
71 HD3 LYS 7 HD1 LYS 7 38.001 15.096 10.715
72 HE2 LYS 7 HE2 LYS 7 40.505 15.400 9.946
73 HE3 LYS 7 HE1 LYS 7 39.776 15.947 8.415
74 HZ1 LYS 7 HZ1 LYS 7 38.683 17.045 10.895
75 HZ2 LYS 7 HZ2 LYS 7 38.900 17.781 9.380
76 HZ3 LYS 7 HZ3 LYS 7 40.222 17.580 10.428
77 H GLY 8 HN GLY 8 38.116 14.179 4.715
78 HA2 GLY 8 HA1 GLY 8 38.802 11.601 3.492
79 HA3 GLY 8 HA2 GLY 8 38.297 13.083 2.658
80 H VAL 9 HN VAL 9 39.852 13.032 1.071
81 HA VAL 9 HA VAL 9 42.668 12.682 1.716
82 HB VAL 9 HB VAL 9 41.336 13.801 -0.793
83 HG11 VAL 9 HG11 VAL 9 43.635 14.527 -0.760
84 HG12 VAL 9 HG12 VAL 9 43.576 13.098 -1.817
85 HG13 VAL 9 HG13 VAL 9 44.190 12.950 -0.152
86 HG21 VAL 9 HG21 VAL 9 42.454 11.032 -0.165
87 HG22 VAL 9 HG22 VAL 9 41.690 11.542 -1.690
88 HG23 VAL 9 HG23 VAL 9 40.723 11.447 -0.198
89 H LYS 10 HN LYS 10 41.510 15.469 -0.161
90 HA LYS 10 HA LYS 10 42.041 17.431 1.874
91 HB2 LYS 10 HB2 LYS 10 44.376 16.745 1.597
92 HB3 LYS 10 HB1 LYS 10 44.252 16.942 -0.165
93 HG2 LYS 10 HG2 LYS 10 45.388 18.872 0.938
94 HG3 LYS 10 HG1 LYS 10 43.908 19.363 0.090
95 HD2 LYS 10 HD2 LYS 10 42.697 19.667 2.105
96 HD3 LYS 10 HD1 LYS 10 43.814 18.647 3.045
97 HE2 LYS 10 HE2 LYS 10 44.099 21.085 3.530
98 HE3 LYS 10 HE1 LYS 10 45.574 20.351 2.856
99 HZ1 LYS 10 HZ1 LYS 10 43.670 21.463 0.945
100 HZ2 LYS 10 HZ2 LYS 10 45.368 21.492 0.935
101 HZ3 LYS 10 HZ3 LYS 10 44.503 22.582 1.908
102 H ILE 11 HN ILE 11 41.523 16.415 -1.410
103 HA ILE 11 HA ILE 11 40.295 19.099 -2.011
104 HB ILE 11 HB ILE 11 41.813 17.456 -4.083
105 HG12 ILE 11 HG12 ILE 11 42.768 19.816 -2.396
106 HG13 ILE 11 HG11 ILE 11 43.424 18.163 -2.372
107 HG21 ILE 11 HG21 ILE 11 41.074 20.412 -4.077
108 HG22 ILE 11 HG22 ILE 11 39.986 19.159 -4.722
109 HG23 ILE 11 HG23 ILE 11 41.587 19.408 -5.454
110 HD11 ILE 11 HD1 ILE 11 43.862 18.512 -4.918
111 HD12 ILE 11 HD2 ILE 11 44.928 19.355 -3.768
112 HD13 ILE 11 HD3 ILE 11 43.614 20.242 -4.577
113 H ILE 12 HN ILE 12 40.652 15.699 -3.123
114 HA ILE 12 HA ILE 12 38.046 15.762 -4.451
115 HB ILE 12 HB ILE 12 39.824 13.426 -3.671
116 HG12 ILE 12 HG12 ILE 12 39.627 14.889 -6.349
117 HG13 ILE 12 HG11 ILE 12 40.899 15.190 -5.146
118 HG21 ILE 12 HG21 ILE 12 38.592 12.335 -5.654
119 HG22 ILE 12 HG22 ILE 12 37.466 13.709 -5.587
120 HG23 ILE 12 HG23 ILE 12 37.611 12.607 -4.201
121 HD11 ILE 12 HD1 ILE 12 41.992 13.616 -6.479
122 HD12 ILE 12 HD2 ILE 12 40.487 12.788 -6.930
123 HD13 ILE 12 HD3 ILE 12 41.207 12.513 -5.326
124 H GLY 13 HN GLY 13 38.833 13.014 -2.376
125 HA2 GLY 13 HA1 GLY 13 36.254 12.932 -1.164
126 HA3 GLY 13 HA2 GLY 13 37.722 12.154 -0.529
127 H GLY 14 HN GLY 14 38.739 15.047 -1.000
128 HA2 GLY 14 HA1 GLY 14 38.499 15.910 1.799
129 HA3 GLY 14 HA2 GLY 14 39.444 16.689 0.509
130 H ALA 15 HN ALA 15 37.554 17.132 -1.482
131 HA ALA 15 HA ALA 15 35.940 19.278 -0.152
132 HB1 ALA 15 HB1 ALA 15 37.146 19.726 -2.300
133 HB2 ALA 15 HB2 ALA 15 35.391 19.986 -2.411
134 HB3 ALA 15 HB3 ALA 15 36.113 18.512 -3.093
135 H ALA 16 HN ALA 16 35.492 16.455 0.374
136 HA ALA 16 HA ALA 16 33.640 15.141 0.777
137 HB1 ALA 16 HB1 ALA 16 31.469 16.001 0.601
138 HB2 ALA 16 HB2 ALA 16 31.847 16.959 -0.849
139 HB3 ALA 16 HB3 ALA 16 32.443 17.481 0.744
140 H LEU 17 HN LEU 17 35.470 14.752 -1.403
141 HA LEU 17 HA LEU 17 35.595 13.500 -3.359
142 HB2 LEU 17 HB2 LEU 17 33.921 12.141 -1.695
143 HB3 LEU 17 HB1 LEU 17 32.809 12.396 -3.055
144 HG LEU 17 HG LEU 17 35.590 11.141 -3.260
145 HD11 LEU 17 HD11 LEU 17 34.105 9.626 -2.095
146 HD12 LEU 17 HD12 LEU 17 34.225 9.066 -3.780
147 HD13 LEU 17 HD13 LEU 17 32.783 9.959 -3.239
148 HD21 LEU 17 HD21 LEU 17 33.331 11.490 -5.286
149 HD22 LEU 17 HD22 LEU 17 34.809 10.538 -5.559
150 HD23 LEU 17 HD23 LEU 17 34.917 12.298 -5.327
151 H ASP 18 HN ASP 18 34.703 16.177 -3.576
152 HA ASP 18 HA ASP 18 33.802 17.606 -5.154
153 HB2 ASP 18 HB2 ASP 18 35.005 15.965 -6.688
154 HB3 ASP 18 HB1 ASP 18 33.434 15.166 -6.928
155 H HIS 19 HN HIS 19 32.063 15.277 -3.605
156 HA HIS 19 HA HIS 19 29.563 16.654 -3.968
157 HB2 HIS 19 HB2 HIS 19 29.547 15.529 -6.159
158 HB3 HIS 19 HB1 HIS 19 29.814 13.958 -5.367
159 HD1 HIS 19 HD1 HIS 19 27.396 13.538 -6.717
160 HD2 HIS 19 HD2 HIS 19 27.331 15.988 -3.299
161 HE1 HIS 19 HE1 HIS 19 24.980 13.627 -5.890
162 H LEU 20 HN LEU 20 30.302 13.158 -3.680
163 HA LEU 20 HA LEU 20 28.676 12.919 -1.289
164 HB2 LEU 20 HB2 LEU 20 30.791 10.936 -2.194
165 HB3 LEU 20 HB1 LEU 20 29.268 10.620 -1.328
166 HG LEU 20 HG LEU 20 29.548 11.591 -4.208
167 HD11 LEU 20 HD11 LEU 20 28.456 8.992 -3.044
168 HD12 LEU 20 HD12 LEU 20 30.060 9.177 -3.793
169 HD13 LEU 20 HD13 LEU 20 28.588 9.404 -4.769
170 HD21 LEU 20 HD21 LEU 20 26.998 11.151 -4.167
171 HD22 LEU 20 HD22 LEU 20 27.566 12.621 -3.345
172 HD23 LEU 20 HD23 LEU 20 27.135 11.180 -2.393
Start of MODEL 14
1 H1 TRP 1 HT1 TRP 1 30.468 7.215 15.708
2 H2 TRP 1 HT2 TRP 1 31.530 6.121 16.459
3 H3 TRP 1 HT3 TRP 1 31.032 5.865 14.855
4 HA TRP 1 HA TRP 1 32.052 8.203 14.499
5 HB2 TRP 1 HB2 TRP 1 33.801 7.090 16.719
6 HB3 TRP 1 HB1 TRP 1 33.893 8.684 15.933
7 HD1 TRP 1 HD1 TRP 1 31.121 9.832 16.087
8 HE1 TRP 1 HE1 TRP 1 29.878 10.318 18.319
9 HE3 TRP 1 HE3 TRP 1 33.703 6.651 19.157
10 HZ2 TRP 1 HZ2 TRP 1 30.012 9.425 21.054
11 HZ3 TRP 1 HZ3 TRP 1 33.128 6.483 21.574
12 HH2 TRP 1 HH2 TRP 1 31.287 7.866 22.524
13 H LEU 2 HN LEU 2 33.007 7.763 12.634
14 HA LEU 2 HA LEU 2 33.890 5.183 11.877
15 HB2 LEU 2 HB2 LEU 2 33.334 6.844 10.209
16 HB3 LEU 2 HB1 LEU 2 34.600 7.938 10.805
17 HG LEU 2 HG LEU 2 36.355 6.446 10.034
18 HD11 LEU 2 HD11 LEU 2 35.606 4.326 8.720
19 HD12 LEU 2 HD12 LEU 2 34.052 4.513 9.568
20 HD13 LEU 2 HD13 LEU 2 35.550 4.254 10.496
21 HD21 LEU 2 HD21 LEU 2 35.907 6.451 7.614
22 HD22 LEU 2 HD22 LEU 2 35.275 7.941 8.354
23 HD23 LEU 2 HD23 LEU 2 34.163 6.622 7.919
24 H ARG 3 HN ARG 3 36.149 7.908 11.892
25 HA ARG 3 HA ARG 3 37.937 6.711 13.858
26 HB2 ARG 3 HB2 ARG 3 38.315 5.276 11.788
27 HB3 ARG 3 HB1 ARG 3 38.896 6.747 10.969
28 HG2 ARG 3 HG2 ARG 3 40.658 7.036 12.645
29 HG3 ARG 3 HG1 ARG 3 40.041 5.647 13.572
30 HD2 ARG 3 HD2 ARG 3 40.425 4.222 11.498
31 HD3 ARG 3 HD1 ARG 3 41.271 5.616 10.786
32 HE ARG 3 HE ARG 3 42.440 3.806 12.636
33 HH11 ARG 3 HH11 ARG 3 42.266 5.760 14.716
34 HH12 ARG 3 HH12 ARG 3 43.585 6.843 14.418
35 HH21 ARG 3 HH21 ARG 3 44.031 5.816 11.136
36 HH22 ARG 3 HH22 ARG 3 44.585 6.873 12.391
37 H ARG 4 HN ARG 4 36.853 9.038 11.631
38 HA ARG 4 HA ARG 4 38.450 11.147 12.960
39 HB2 ARG 4 HB2 ARG 4 38.567 10.622 9.958
40 HB3 ARG 4 HB1 ARG 4 39.114 12.125 10.739
41 HG2 ARG 4 HG2 ARG 4 40.635 10.672 12.197
42 HG3 ARG 4 HG1 ARG 4 40.229 9.317 11.118
43 HD2 ARG 4 HD2 ARG 4 41.021 10.688 9.170
44 HD3 ARG 4 HD1 ARG 4 41.534 11.952 10.313
45 HE ARG 4 HE ARG 4 43.417 10.621 10.809
46 HH11 ARG 4 HH11 ARG 4 40.990 8.839 9.140
47 HH12 ARG 4 HH12 ARG 4 41.877 7.352 9.161
48 HH21 ARG 4 HH21 ARG 4 44.540 8.656 10.956
49 HH22 ARG 4 HH22 ARG 4 43.888 7.247 10.188
50 H ILE 5 HN ILE 5 35.664 9.854 11.656
51 HA ILE 5 HA ILE 5 33.599 10.744 11.098
52 HB ILE 5 HB ILE 5 34.291 13.195 12.766
53 HG12 ILE 5 HG12 ILE 5 33.760 10.356 13.762
54 HG13 ILE 5 HG11 ILE 5 35.254 11.295 13.985
55 HG21 ILE 5 HG21 ILE 5 31.980 13.141 13.352
56 HG22 ILE 5 HG22 ILE 5 31.788 11.460 12.800
57 HG23 ILE 5 HG23 ILE 5 32.004 12.768 11.614
58 HD11 ILE 5 HD1 ILE 5 34.079 11.550 16.037
59 HD12 ILE 5 HD2 ILE 5 32.520 11.785 15.214
60 HD13 ILE 5 HD3 ILE 5 33.760 13.061 15.155
61 H GLY 6 HN GLY 6 35.724 11.328 9.261
62 HA2 GLY 6 HA1 GLY 6 34.546 13.021 7.445
63 HA3 GLY 6 HA2 GLY 6 35.469 14.140 8.470
64 H LYS 7 HN LYS 7 36.427 10.810 7.724
65 HA LYS 7 HA LYS 7 39.074 11.554 6.989
66 HB2 LYS 7 HB2 LYS 7 38.206 9.247 7.655
67 HB3 LYS 7 HB1 LYS 7 37.606 9.087 5.987
68 HG2 LYS 7 HG2 LYS 7 39.999 9.669 5.227
69 HG3 LYS 7 HG1 LYS 7 40.486 9.423 6.921
70 HD2 LYS 7 HD2 LYS 7 39.080 7.366 5.158
71 HD3 LYS 7 HD1 LYS 7 40.805 7.356 5.590
72 HE2 LYS 7 HE2 LYS 7 39.981 7.375 8.063
73 HE3 LYS 7 HE1 LYS 7 38.400 6.908 7.389
74 HZ1 LYS 7 HZ1 LYS 7 40.777 5.343 7.718
75 HZ2 LYS 7 HZ2 LYS 7 40.189 5.274 6.126
76 HZ3 LYS 7 HZ3 LYS 7 39.183 4.842 7.425
77 H GLY 8 HN GLY 8 39.938 12.403 5.213
78 HA2 GLY 8 HA1 GLY 8 38.966 11.816 2.562
79 HA3 GLY 8 HA2 GLY 8 38.416 13.420 3.085
80 H VAL 9 HN VAL 9 40.226 12.726 0.906
81 HA VAL 9 HA VAL 9 42.945 13.250 1.680
82 HB VAL 9 HB VAL 9 43.075 14.023 -0.852
83 HG11 VAL 9 HG11 VAL 9 43.909 11.860 -0.123
84 HG12 VAL 9 HG12 VAL 9 42.918 11.611 -1.579
85 HG13 VAL 9 HG13 VAL 9 42.255 11.219 0.025
86 HG21 VAL 9 HG21 VAL 9 40.399 12.565 -0.916
87 HG22 VAL 9 HG22 VAL 9 41.208 13.457 -2.228
88 HG23 VAL 9 HG23 VAL 9 40.496 14.340 -0.858
89 H LYS 10 HN LYS 10 41.856 15.486 -0.717
90 HA LYS 10 HA LYS 10 41.502 17.738 1.125
91 HB2 LYS 10 HB2 LYS 10 43.947 17.486 1.224
92 HB3 LYS 10 HB1 LYS 10 44.040 17.503 -0.549
93 HG2 LYS 10 HG2 LYS 10 44.637 19.702 0.439
94 HG3 LYS 10 HG1 LYS 10 43.204 19.821 -0.601
95 HD2 LYS 10 HD2 LYS 10 41.728 20.064 1.236
96 HD3 LYS 10 HD1 LYS 10 42.883 19.347 2.386
97 HE2 LYS 10 HE2 LYS 10 44.354 21.349 2.110
98 HE3 LYS 10 HE1 LYS 10 43.141 22.066 1.022
99 HZ1 LYS 10 HZ1 LYS 10 42.686 21.278 3.859
100 HZ2 LYS 10 HZ2 LYS 10 41.528 21.966 2.822
101 HZ3 LYS 10 HZ3 LYS 10 42.891 22.864 3.294
102 H ILE 11 HN ILE 11 41.524 16.205 -1.956
103 HA ILE 11 HA ILE 11 40.300 18.654 -3.239
104 HB ILE 11 HB ILE 11 41.601 16.322 -4.689
105 HG12 ILE 11 HG12 ILE 11 42.827 18.965 -3.774
106 HG13 ILE 11 HG11 ILE 11 43.308 17.336 -3.249
107 HG21 ILE 11 HG21 ILE 11 41.180 19.202 -5.591
108 HG22 ILE 11 HG22 ILE 11 39.956 17.936 -5.845
109 HG23 ILE 11 HG23 ILE 11 41.561 17.782 -6.593
110 HD11 ILE 11 HD1 ILE 11 43.677 18.632 -5.970
111 HD12 ILE 11 HD2 ILE 11 43.744 16.863 -5.772
112 HD13 ILE 11 HD3 ILE 11 44.905 17.902 -4.913
113 H ILE 12 HN ILE 12 40.293 15.056 -3.216
114 HA ILE 12 HA ILE 12 37.571 15.064 -4.426
115 HB ILE 12 HB ILE 12 39.371 12.774 -3.554
116 HG12 ILE 12 HG12 ILE 12 40.491 14.035 -5.300
117 HG13 ILE 12 HG11 ILE 12 39.869 12.534 -6.016
118 HG21 ILE 12 HG21 ILE 12 37.280 11.743 -3.725
119 HG22 ILE 12 HG22 ILE 12 37.785 11.630 -5.423
120 HG23 ILE 12 HG23 ILE 12 36.667 12.914 -4.910
121 HD11 ILE 12 HD1 ILE 12 38.858 15.374 -6.361
122 HD12 ILE 12 HD2 ILE 12 37.770 13.997 -6.645
123 HD13 ILE 12 HD3 ILE 12 39.254 14.168 -7.604
124 H GLY 13 HN GLY 13 38.411 12.496 -2.199
125 HA2 GLY 13 HA1 GLY 13 36.058 12.721 -0.658
126 HA3 GLY 13 HA2 GLY 13 37.566 11.957 -0.108
127 H GLY 14 HN GLY 14 38.673 14.711 -0.968
128 HA2 GLY 14 HA1 GLY 14 38.677 15.889 1.728
129 HA3 GLY 14 HA2 GLY 14 39.590 16.442 0.307
130 H ALA 15 HN ALA 15 37.673 16.828 -1.633
131 HA ALA 15 HA ALA 15 36.277 19.211 -0.492
132 HB1 ALA 15 HB1 ALA 15 35.715 19.754 -2.756
133 HB2 ALA 15 HB2 ALA 15 36.118 18.118 -3.320
134 HB3 ALA 15 HB3 ALA 15 37.409 19.214 -2.760
135 H ALA 16 HN ALA 16 35.652 16.447 0.327
136 HA ALA 16 HA ALA 16 33.704 15.420 1.035
137 HB1 ALA 16 HB1 ALA 16 31.611 16.432 0.835
138 HB2 ALA 16 HB2 ALA 16 31.960 17.094 -0.780
139 HB3 ALA 16 HB3 ALA 16 32.696 17.831 0.663
140 H LEU 17 HN LEU 17 35.375 14.526 -1.115
141 HA LEU 17 HA LEU 17 35.299 13.023 -2.893
142 HB2 LEU 17 HB2 LEU 17 33.722 12.036 -0.884
143 HB3 LEU 17 HB1 LEU 17 32.533 12.068 -2.201
144 HG LEU 17 HG LEU 17 35.280 10.728 -2.335
145 HD11 LEU 17 HD11 LEU 17 32.499 9.491 -2.172
146 HD12 LEU 17 HD12 LEU 17 33.615 9.636 -0.793
147 HD13 LEU 17 HD13 LEU 17 34.056 8.628 -2.193
148 HD21 LEU 17 HD21 LEU 17 34.336 9.734 -4.436
149 HD22 LEU 17 HD22 LEU 17 34.512 11.502 -4.535
150 HD23 LEU 17 HD23 LEU 17 32.909 10.780 -4.258
151 H ASP 18 HN ASP 18 34.253 15.723 -3.329
152 HA ASP 18 HA ASP 18 33.046 16.916 -4.916
153 HB2 ASP 18 HB2 ASP 18 33.514 14.349 -6.484
154 HB3 ASP 18 HB1 ASP 18 33.021 15.909 -7.187
155 H HIS 19 HN HIS 19 31.312 16.064 -3.088
156 HA HIS 19 HA HIS 19 29.093 15.485 -2.727
157 HB2 HIS 19 HB2 HIS 19 28.699 16.116 -5.672
158 HB3 HIS 19 HB1 HIS 19 27.517 16.271 -4.350
159 HD1 HIS 19 HD1 HIS 19 29.956 17.488 -2.429
160 HD2 HIS 19 HD2 HIS 19 28.508 18.979 -6.086
161 HE1 HIS 19 HE1 HIS 19 30.520 19.980 -2.513
162 H LEU 20 HN LEU 20 30.410 13.234 -2.831
163 HA LEU 20 HA LEU 20 30.316 10.981 -3.403
164 HB2 LEU 20 HB2 LEU 20 27.439 11.894 -3.729
165 HB3 LEU 20 HB1 LEU 20 27.901 10.197 -3.996
166 HG LEU 20 HG LEU 20 28.860 10.093 -1.715
167 HD11 LEU 20 HD11 LEU 20 28.205 12.075 -0.167
168 HD12 LEU 20 HD12 LEU 20 27.996 13.010 -1.666
169 HD13 LEU 20 HD13 LEU 20 29.584 12.315 -1.260
170 HD21 LEU 20 HD21 LEU 20 26.742 10.124 -0.504
171 HD22 LEU 20 HD22 LEU 20 26.436 9.569 -2.168
172 HD23 LEU 20 HD23 LEU 20 26.032 11.238 -1.697
Start of MODEL 15
1 H1 TRP 1 HT1 TRP 1 33.082 4.468 1.532
2 H2 TRP 1 HT2 TRP 1 33.216 5.673 2.722
3 H3 TRP 1 HT3 TRP 1 32.807 4.082 3.160
4 HA TRP 1 HA TRP 1 34.918 3.268 2.622
5 HB2 TRP 1 HB2 TRP 1 35.272 6.037 1.421
6 HB3 TRP 1 HB1 TRP 1 36.671 5.013 1.835
7 HD1 TRP 1 HD1 TRP 1 36.208 2.308 0.823
8 HE1 TRP 1 HE1 TRP 1 35.613 1.681 -1.631
9 HE3 TRP 1 HE3 TRP 1 34.326 6.811 -0.727
10 HZ2 TRP 1 HZ2 TRP 1 34.474 2.986 -3.932
11 HZ3 TRP 1 HZ3 TRP 1 33.491 7.097 -3.055
12 HH2 TRP 1 HH2 TRP 1 33.563 5.191 -4.658
13 H LEU 2 HN LEU 2 36.772 3.448 3.962
14 HA LEU 2 HA LEU 2 36.629 5.582 6.072
15 HB2 LEU 2 HB2 LEU 2 37.118 2.643 6.623
16 HB3 LEU 2 HB1 LEU 2 37.077 3.980 7.798
17 HG LEU 2 HG LEU 2 34.696 3.257 6.031
18 HD11 LEU 2 HD11 LEU 2 33.781 2.053 7.989
19 HD12 LEU 2 HD12 LEU 2 35.292 2.351 8.882
20 HD13 LEU 2 HD13 LEU 2 35.302 1.311 7.437
21 HD21 LEU 2 HD21 LEU 2 35.092 4.974 8.523
22 HD22 LEU 2 HD22 LEU 2 33.488 4.427 7.988
23 HD23 LEU 2 HD23 LEU 2 34.463 5.473 6.937
24 H ARG 3 HN ARG 3 38.337 3.985 3.705
25 HA ARG 3 HA ARG 3 40.897 3.484 4.683
26 HB2 ARG 3 HB2 ARG 3 40.089 4.965 2.147
27 HB3 ARG 3 HB1 ARG 3 41.744 4.401 2.481
28 HG2 ARG 3 HG2 ARG 3 41.032 2.096 2.559
29 HG3 ARG 3 HG1 ARG 3 39.315 2.566 2.531
30 HD2 ARG 3 HD2 ARG 3 39.559 3.471 0.267
31 HD3 ARG 3 HD1 ARG 3 41.306 3.132 0.292
32 HE ARG 3 HE ARG 3 39.252 1.220 -0.339
33 HH11 ARG 3 HH11 ARG 3 41.979 0.765 -1.262
34 HH12 ARG 3 HH12 ARG 3 42.552 -0.505 -0.235
35 HH21 ARG 3 HH21 ARG 3 40.075 -0.055 2.150
36 HH22 ARG 3 HH22 ARG 3 41.475 -0.971 1.697
37 H ARG 4 HN ARG 4 39.123 6.417 4.635
38 HA ARG 4 HA ARG 4 41.501 7.957 5.659
39 HB2 ARG 4 HB2 ARG 4 39.059 9.112 4.256
40 HB3 ARG 4 HB1 ARG 4 40.563 9.953 4.696
41 HG2 ARG 4 HG2 ARG 4 40.365 7.650 2.700
42 HG3 ARG 4 HG1 ARG 4 40.474 9.370 2.266
43 HD2 ARG 4 HD2 ARG 4 42.645 9.389 3.714
44 HD3 ARG 4 HD1 ARG 4 42.571 7.615 3.582
45 HE ARG 4 HE ARG 4 42.315 8.899 0.988
46 HH11 ARG 4 HH11 ARG 4 44.767 10.208 1.902
47 HH12 ARG 4 HH12 ARG 4 46.002 9.048 1.539
48 HH21 ARG 4 HH21 ARG 4 43.785 6.404 1.192
49 HH22 ARG 4 HH22 ARG 4 45.445 6.894 1.136
50 H ILE 5 HN ILE 5 38.376 6.602 6.262
51 HA ILE 5 HA ILE 5 36.971 6.792 8.085
52 HB ILE 5 HB ILE 5 39.187 8.300 9.535
53 HG12 ILE 5 HG12 ILE 5 38.898 5.301 9.032
54 HG13 ILE 5 HG11 ILE 5 40.215 6.347 8.456
55 HG21 ILE 5 HG21 ILE 5 37.235 6.211 10.588
56 HG22 ILE 5 HG22 ILE 5 36.823 7.941 10.526
57 HG23 ILE 5 HG23 ILE 5 38.195 7.391 11.512
58 HD11 ILE 5 HD1 ILE 5 41.104 5.293 10.391
59 HD12 ILE 5 HD2 ILE 5 39.591 5.492 11.302
60 HD13 ILE 5 HD3 ILE 5 40.618 6.906 10.962
61 H GLY 6 HN GLY 6 36.275 8.522 6.258
62 HA2 GLY 6 HA1 GLY 6 35.198 10.528 5.885
63 HA3 GLY 6 HA2 GLY 6 34.903 10.554 7.633
64 H LYS 7 HN LYS 7 38.228 10.451 7.071
65 HA LYS 7 HA LYS 7 38.529 13.195 7.993
66 HB2 LYS 7 HB2 LYS 7 40.095 11.241 8.480
67 HB3 LYS 7 HB1 LYS 7 40.696 11.418 6.814
68 HG2 LYS 7 HG2 LYS 7 41.125 13.885 7.373
69 HG3 LYS 7 HG1 LYS 7 40.814 13.461 9.072
70 HD2 LYS 7 HD2 LYS 7 42.966 12.275 7.261
71 HD3 LYS 7 HD1 LYS 7 43.224 13.374 8.636
72 HE2 LYS 7 HE2 LYS 7 42.323 10.477 8.666
73 HE3 LYS 7 HE1 LYS 7 43.664 11.236 9.553
74 HZ1 LYS 7 HZ1 LYS 7 41.629 12.641 10.499
75 HZ2 LYS 7 HZ2 LYS 7 42.151 11.189 11.209
76 HZ3 LYS 7 HZ3 LYS 7 40.811 11.193 10.165
77 H GLY 8 HN GLY 8 38.459 11.583 4.885
78 HA2 GLY 8 HA1 GLY 8 38.274 12.560 2.777
79 HA3 GLY 8 HA2 GLY 8 38.398 14.167 3.521
80 H VAL 9 HN VAL 9 39.646 13.200 1.076
81 HA VAL 9 HA VAL 9 42.448 12.673 1.634
82 HB VAL 9 HB VAL 9 41.111 13.695 -0.914
83 HG11 VAL 9 HG11 VAL 9 43.213 12.665 -1.948
84 HG12 VAL 9 HG12 VAL 9 43.885 12.594 -0.301
85 HG13 VAL 9 HG13 VAL 9 43.472 14.165 -1.029
86 HG21 VAL 9 HG21 VAL 9 41.236 11.322 -1.611
87 HG22 VAL 9 HG22 VAL 9 40.256 11.496 -0.135
88 HG23 VAL 9 HG23 VAL 9 41.926 10.888 -0.029
89 H LYS 10 HN LYS 10 41.275 15.411 -0.338
90 HA LYS 10 HA LYS 10 42.262 17.446 1.466
91 HB2 LYS 10 HB2 LYS 10 44.429 16.389 0.694
92 HB3 LYS 10 HB1 LYS 10 44.019 16.910 -0.958
93 HG2 LYS 10 HG2 LYS 10 43.901 19.259 -0.200
94 HG3 LYS 10 HG1 LYS 10 44.288 18.750 1.462
95 HD2 LYS 10 HD2 LYS 10 46.471 17.930 0.767
96 HD3 LYS 10 HD1 LYS 10 46.082 18.225 -0.946
97 HE2 LYS 10 HE2 LYS 10 45.800 20.673 -0.387
98 HE3 LYS 10 HE1 LYS 10 46.397 20.314 1.251
99 HZ1 LYS 10 HZ1 LYS 10 47.843 20.503 -1.244
100 HZ2 LYS 10 HZ2 LYS 10 48.244 19.132 -0.323
101 HZ3 LYS 10 HZ3 LYS 10 48.396 20.685 0.349
102 H ILE 11 HN ILE 11 41.156 16.318 -1.644
103 HA ILE 11 HA ILE 11 40.022 19.055 -2.190
104 HB ILE 11 HB ILE 11 41.090 17.213 -4.371
105 HG12 ILE 11 HG12 ILE 11 42.447 19.592 -3.018
106 HG13 ILE 11 HG11 ILE 11 42.974 17.895 -2.930
107 HG21 ILE 11 HG21 ILE 11 40.560 20.214 -4.421
108 HG22 ILE 11 HG22 ILE 11 39.304 19.019 -4.822
109 HG23 ILE 11 HG23 ILE 11 40.786 19.114 -5.801
110 HD11 ILE 11 HD1 ILE 11 43.072 17.996 -5.532
111 HD12 ILE 11 HD2 ILE 11 44.349 18.836 -4.621
112 HD13 ILE 11 HD3 ILE 11 43.004 19.763 -5.324
113 H ILE 12 HN ILE 12 39.975 15.569 -3.020
114 HA ILE 12 HA ILE 12 37.214 15.731 -4.005
115 HB ILE 12 HB ILE 12 38.981 13.368 -3.280
116 HG12 ILE 12 HG12 ILE 12 38.365 14.232 -6.136
117 HG13 ILE 12 HG11 ILE 12 39.631 15.087 -5.229
118 HG21 ILE 12 HG21 ILE 12 36.238 13.600 -4.574
119 HG22 ILE 12 HG22 ILE 12 36.807 12.448 -3.344
120 HG23 ILE 12 HG23 ILE 12 37.302 12.253 -5.036
121 HD11 ILE 12 HD1 ILE 12 39.596 12.052 -5.419
122 HD12 ILE 12 HD2 ILE 12 40.944 13.122 -4.972
123 HD13 ILE 12 HD3 ILE 12 40.373 13.066 -6.657
124 H GLY 13 HN GLY 13 38.178 13.129 -1.815
125 HA2 GLY 13 HA1 GLY 13 35.813 13.282 -0.232
126 HA3 GLY 13 HA2 GLY 13 37.335 12.495 0.248
127 H GLY 14 HN GLY 14 38.384 15.272 -0.642
128 HA2 GLY 14 HA1 GLY 14 38.577 16.395 2.073
129 HA3 GLY 14 HA2 GLY 14 39.365 17.001 0.599
130 H ALA 15 HN ALA 15 37.268 17.399 -1.153
131 HA ALA 15 HA ALA 15 35.926 19.723 0.178
132 HB1 ALA 15 HB1 ALA 15 36.921 19.921 -2.125
133 HB2 ALA 15 HB2 ALA 15 35.193 20.329 -2.043
134 HB3 ALA 15 HB3 ALA 15 35.701 18.757 -2.698
135 H ALA 16 HN ALA 16 35.414 16.935 0.911
136 HA ALA 16 HA ALA 16 33.546 15.784 1.634
137 HB1 ALA 16 HB1 ALA 16 31.418 16.754 1.632
138 HB2 ALA 16 HB2 ALA 16 31.664 17.559 0.066
139 HB3 ALA 16 HB3 ALA 16 32.468 18.185 1.524
140 H LEU 17 HN LEU 17 35.086 15.027 -0.611
141 HA LEU 17 HA LEU 17 34.933 13.539 -2.396
142 HB2 LEU 17 HB2 LEU 17 33.312 12.467 -0.631
143 HB3 LEU 17 HB1 LEU 17 32.022 13.041 -1.709
144 HG LEU 17 HG LEU 17 33.513 11.848 -3.602
145 HD11 LEU 17 HD11 LEU 17 34.182 10.154 -1.156
146 HD12 LEU 17 HD12 LEU 17 35.331 11.300 -1.883
147 HD13 LEU 17 HD13 LEU 17 34.735 9.917 -2.829
148 HD21 LEU 17 HD21 LEU 17 32.208 9.760 -3.241
149 HD22 LEU 17 HD22 LEU 17 31.199 11.207 -3.007
150 HD23 LEU 17 HD23 LEU 17 31.802 10.304 -1.596
151 H ASP 18 HN ASP 18 34.114 16.400 -2.625
152 HA ASP 18 HA ASP 18 33.285 17.806 -4.263
153 HB2 ASP 18 HB2 ASP 18 34.703 16.306 -5.693
154 HB3 ASP 18 HB1 ASP 18 33.254 15.330 -6.029
155 H HIS 19 HN HIS 19 31.627 14.843 -5.400
156 HA HIS 19 HA HIS 19 29.156 16.032 -5.911
157 HB2 HIS 19 HB2 HIS 19 29.510 13.233 -4.776
158 HB3 HIS 19 HB1 HIS 19 28.203 13.817 -5.835
159 HD1 HIS 19 HD1 HIS 19 31.210 15.406 -6.992
160 HD2 HIS 19 HD2 HIS 19 29.622 11.531 -7.392
161 HE1 HIS 19 HE1 HIS 19 32.329 14.329 -9.020
162 H LEU 20 HN LEU 20 29.892 14.119 -2.951
163 HA LEU 20 HA LEU 20 27.534 15.195 -1.595
164 HB2 LEU 20 HB2 LEU 20 29.851 13.752 -0.267
165 HB3 LEU 20 HB1 LEU 20 28.133 13.768 0.200
166 HG LEU 20 HG LEU 20 29.325 12.478 -2.295
167 HD11 LEU 20 HD11 LEU 20 28.635 10.381 -1.244
168 HD12 LEU 20 HD12 LEU 20 27.912 11.265 0.121
169 HD13 LEU 20 HD13 LEU 20 29.676 11.280 -0.117
170 HD21 LEU 20 HD21 LEU 20 26.904 11.588 -2.494
171 HD22 LEU 20 HD22 LEU 20 27.164 13.291 -2.934
172 HD23 LEU 20 HD23 LEU 20 26.455 12.879 -1.353
Start of MODEL 16
1 H1 TRP 1 HT1 TRP 1 53.609 6.388 -4.614
2 H2 TRP 1 HT2 TRP 1 52.592 5.047 -4.844
3 H3 TRP 1 HT3 TRP 1 53.622 5.116 -3.493
4 HA TRP 1 HA TRP 1 52.137 7.413 -3.408
5 HB2 TRP 1 HB2 TRP 1 50.333 4.995 -3.758
6 HB3 TRP 1 HB1 TRP 1 49.860 6.700 -3.570
7 HD1 TRP 1 HD1 TRP 1 51.511 8.206 -5.600
8 HE1 TRP 1 HE1 TRP 1 51.337 7.815 -8.165
9 HE3 TRP 1 HE3 TRP 1 49.537 3.482 -5.565
10 HZ2 TRP 1 HZ2 TRP 1 50.453 5.721 -9.932
11 HZ3 TRP 1 HZ3 TRP 1 49.035 2.307 -7.702
12 HH2 TRP 1 HH2 TRP 1 49.492 3.421 -9.883
13 H LEU 2 HN LEU 2 52.055 7.817 -1.294
14 HA LEU 2 HA LEU 2 53.018 6.030 0.641
15 HB2 LEU 2 HB2 LEU 2 52.912 8.402 1.090
16 HB3 LEU 2 HB1 LEU 2 51.144 8.403 0.915
17 HG LEU 2 HG LEU 2 50.863 7.105 2.943
18 HD11 LEU 2 HD11 LEU 2 53.011 6.540 4.298
19 HD12 LEU 2 HD12 LEU 2 53.881 6.766 2.760
20 HD13 LEU 2 HD13 LEU 2 52.628 5.508 2.901
21 HD21 LEU 2 HD21 LEU 2 53.024 9.207 3.410
22 HD22 LEU 2 HD22 LEU 2 51.827 8.637 4.597
23 HD23 LEU 2 HD23 LEU 2 51.297 9.560 3.171
24 H ARG 3 HN ARG 3 49.696 7.203 0.869
25 HA ARG 3 HA ARG 3 48.593 4.453 0.865
26 HB2 ARG 3 HB2 ARG 3 49.410 4.942 3.239
27 HB3 ARG 3 HB1 ARG 3 48.214 6.257 3.291
28 HG2 ARG 3 HG2 ARG 3 46.384 4.692 2.935
29 HG3 ARG 3 HG1 ARG 3 47.525 3.353 2.659
30 HD2 ARG 3 HD2 ARG 3 46.610 3.290 4.962
31 HD3 ARG 3 HD1 ARG 3 48.366 3.582 4.974
32 HE ARG 3 HE ARG 3 46.836 6.063 4.989
33 HH11 ARG 3 HH11 ARG 3 49.263 4.515 6.547
34 HH12 ARG 3 HH12 ARG 3 48.791 4.940 8.159
35 HH21 ARG 3 HH21 ARG 3 45.686 6.160 7.214
36 HH22 ARG 3 HH22 ARG 3 46.766 5.871 8.537
37 H ARG 4 HN ARG 4 48.550 7.775 0.384
38 HA ARG 4 HA ARG 4 46.053 7.731 -1.012
39 HB2 ARG 4 HB2 ARG 4 44.826 9.340 0.528
40 HB3 ARG 4 HB1 ARG 4 44.946 7.665 1.119
41 HG2 ARG 4 HG2 ARG 4 46.820 8.252 2.567
42 HG3 ARG 4 HG1 ARG 4 46.869 9.900 1.896
43 HD2 ARG 4 HD2 ARG 4 44.674 10.406 2.813
44 HD3 ARG 4 HD1 ARG 4 44.454 8.718 3.331
45 HE ARG 4 HE ARG 4 46.827 9.673 4.561
46 HH11 ARG 4 HH11 ARG 4 44.550 8.488 6.081
47 HH12 ARG 4 HH12 ARG 4 43.995 9.832 7.024
48 HH21 ARG 4 HH21 ARG 4 45.638 12.202 5.098
49 HH22 ARG 4 HH22 ARG 4 44.611 11.934 6.466
50 H ILE 5 HN ILE 5 49.044 8.868 -0.444
51 HA ILE 5 HA ILE 5 48.835 11.697 -0.615
52 HB ILE 5 HB ILE 5 50.986 10.432 -0.287
53 HG12 ILE 5 HG12 ILE 5 50.977 12.361 -2.656
54 HG13 ILE 5 HG11 ILE 5 50.914 12.847 -0.946
55 HG21 ILE 5 HG21 ILE 5 50.943 10.070 -3.311
56 HG22 ILE 5 HG22 ILE 5 50.454 8.785 -2.181
57 HG23 ILE 5 HG23 ILE 5 52.117 9.419 -2.143
58 HD11 ILE 5 HD1 ILE 5 53.093 11.443 -0.671
59 HD12 ILE 5 HD2 ILE 5 53.215 13.010 -1.508
60 HD13 ILE 5 HD3 ILE 5 53.185 11.501 -2.449
61 H GLY 6 HN GLY 6 48.745 9.206 -3.166
62 HA2 GLY 6 HA1 GLY 6 48.526 11.198 -5.301
63 HA3 GLY 6 HA2 GLY 6 48.369 9.437 -5.456
64 H LYS 7 HN LYS 7 46.452 10.743 -2.953
65 HA LYS 7 HA LYS 7 44.173 11.591 -4.497
66 HB2 LYS 7 HB2 LYS 7 42.717 9.589 -4.011
67 HB3 LYS 7 HB1 LYS 7 43.990 9.292 -5.219
68 HG2 LYS 7 HG2 LYS 7 45.432 8.320 -3.424
69 HG3 LYS 7 HG1 LYS 7 44.104 8.553 -2.261
70 HD2 LYS 7 HD2 LYS 7 42.642 7.100 -3.648
71 HD3 LYS 7 HD1 LYS 7 43.986 6.849 -4.789
72 HE2 LYS 7 HE2 LYS 7 45.338 5.811 -3.025
73 HE3 LYS 7 HE1 LYS 7 44.066 6.135 -1.824
74 HZ1 LYS 7 HZ1 LYS 7 44.153 4.140 -3.964
75 HZ2 LYS 7 HZ2 LYS 7 42.642 4.840 -3.623
76 HZ3 LYS 7 HZ3 LYS 7 43.502 4.030 -2.402
77 H GLY 8 HN GLY 8 45.447 12.680 -2.333
78 HA2 GLY 8 HA1 GLY 8 44.225 11.888 0.172
79 HA3 GLY 8 HA2 GLY 8 45.118 13.389 -0.147
80 H VAL 9 HN VAL 9 42.595 12.859 1.360
81 HA VAL 9 HA VAL 9 40.448 14.001 -0.264
82 HB VAL 9 HB VAL 9 39.214 14.127 1.897
83 HG11 VAL 9 HG11 VAL 9 39.356 12.015 0.516
84 HG12 VAL 9 HG12 VAL 9 39.076 11.723 2.250
85 HG13 VAL 9 HG13 VAL 9 40.698 11.486 1.558
86 HG21 VAL 9 HG21 VAL 9 41.875 13.137 3.016
87 HG22 VAL 9 HG22 VAL 9 40.341 13.133 3.919
88 HG23 VAL 9 HG23 VAL 9 41.064 14.673 3.400
89 H LYS 10 HN LYS 10 42.921 15.567 -0.160
90 HA LYS 10 HA LYS 10 42.315 17.887 1.565
91 HB2 LYS 10 HB2 LYS 10 44.363 17.779 -0.675
92 HB3 LYS 10 HB1 LYS 10 44.389 18.757 0.813
93 HG2 LYS 10 HG2 LYS 10 44.682 15.725 0.621
94 HG3 LYS 10 HG1 LYS 10 45.960 16.892 1.036
95 HD2 LYS 10 HD2 LYS 10 44.451 17.619 2.996
96 HD3 LYS 10 HD1 LYS 10 43.488 16.159 2.656
97 HE2 LYS 10 HE2 LYS 10 46.386 16.346 3.542
98 HE3 LYS 10 HE1 LYS 10 45.046 15.458 4.308
99 HZ1 LYS 10 HZ1 LYS 10 46.300 14.839 1.677
100 HZ2 LYS 10 HZ2 LYS 10 44.965 14.022 2.338
101 HZ3 LYS 10 HZ3 LYS 10 46.477 13.948 3.109
102 H ILE 11 HN ILE 11 41.341 16.707 -1.462
103 HA ILE 11 HA ILE 11 40.206 19.394 -2.187
104 HB ILE 11 HB ILE 11 41.431 17.512 -4.242
105 HG12 ILE 11 HG12 ILE 11 42.668 19.971 -2.916
106 HG13 ILE 11 HG11 ILE 11 43.230 18.292 -2.742
107 HG21 ILE 11 HG21 ILE 11 39.628 19.256 -4.846
108 HG22 ILE 11 HG22 ILE 11 41.152 19.349 -5.758
109 HG23 ILE 11 HG23 ILE 11 40.836 20.495 -4.432
110 HD11 ILE 11 HD1 ILE 11 44.660 19.205 -4.400
111 HD12 ILE 11 HD2 ILE 11 43.330 20.075 -5.197
112 HD13 ILE 11 HD3 ILE 11 43.448 18.304 -5.339
113 H ILE 12 HN ILE 12 40.285 15.870 -2.665
114 HA ILE 12 HA ILE 12 37.693 15.796 -4.014
115 HB ILE 12 HB ILE 12 39.335 13.648 -2.640
116 HG12 ILE 12 HG12 ILE 12 39.138 14.342 -5.612
117 HG13 ILE 12 HG11 ILE 12 40.453 14.887 -4.549
118 HG21 ILE 12 HG21 ILE 12 37.994 12.132 -4.243
119 HG22 ILE 12 HG22 ILE 12 36.936 13.535 -4.520
120 HG23 ILE 12 HG23 ILE 12 37.080 12.833 -2.894
121 HD11 ILE 12 HD1 ILE 12 41.432 12.958 -5.427
122 HD12 ILE 12 HD2 ILE 12 39.878 12.118 -5.613
123 HD13 ILE 12 HD3 ILE 12 40.631 12.250 -4.006
124 H GLY 13 HN GLY 13 38.424 13.723 -1.229
125 HA2 GLY 13 HA1 GLY 13 35.829 14.074 -0.052
126 HA3 GLY 13 HA2 GLY 13 37.268 13.408 0.753
127 H GLY 14 HN GLY 14 38.385 16.037 -0.559
128 HA2 GLY 14 HA1 GLY 14 38.277 17.628 1.931
129 HA3 GLY 14 HA2 GLY 14 39.224 17.980 0.469
130 H ALA 15 HN ALA 15 37.283 17.924 -1.519
131 HA ALA 15 HA ALA 15 35.833 20.456 -0.867
132 HB1 ALA 15 HB1 ALA 15 37.005 20.215 -3.050
133 HB2 ALA 15 HB2 ALA 15 35.257 20.471 -3.245
134 HB3 ALA 15 HB3 ALA 15 35.944 18.843 -3.449
135 H ALA 16 HN ALA 16 35.267 17.869 0.406
136 HA ALA 16 HA ALA 16 33.346 16.864 1.203
137 HB1 ALA 16 HB1 ALA 16 31.599 18.222 -0.860
138 HB2 ALA 16 HB2 ALA 16 32.273 19.163 0.492
139 HB3 ALA 16 HB3 ALA 16 31.224 17.764 0.818
140 H LEU 17 HN LEU 17 35.097 15.759 -0.784
141 HA LEU 17 HA LEU 17 35.106 13.958 -2.267
142 HB2 LEU 17 HB2 LEU 17 33.535 13.142 -0.323
143 HB3 LEU 17 HB1 LEU 17 32.231 13.367 -1.508
144 HG LEU 17 HG LEU 17 33.876 11.941 -3.093
145 HD11 LEU 17 HD11 LEU 17 35.238 10.340 -1.928
146 HD12 LEU 17 HD12 LEU 17 34.581 10.824 -0.345
147 HD13 LEU 17 HD13 LEU 17 35.654 11.924 -1.236
148 HD21 LEU 17 HD21 LEU 17 32.744 9.853 -2.269
149 HD22 LEU 17 HD22 LEU 17 31.619 11.216 -2.485
150 HD23 LEU 17 HD23 LEU 17 32.168 10.763 -0.853
151 H ASP 18 HN ASP 18 34.068 16.633 -3.097
152 HA ASP 18 HA ASP 18 33.109 17.593 -4.974
153 HB2 ASP 18 HB2 ASP 18 33.557 14.811 -6.127
154 HB3 ASP 18 HB1 ASP 18 33.217 16.281 -7.070
155 H HIS 19 HN HIS 19 31.859 14.331 -5.671
156 HA HIS 19 HA HIS 19 29.266 15.134 -6.339
157 HB2 HIS 19 HB2 HIS 19 30.256 12.842 -6.647
158 HB3 HIS 19 HB1 HIS 19 29.979 12.541 -4.914
159 HD1 HIS 19 HD1 HIS 19 27.566 12.155 -4.106
160 HD2 HIS 19 HD2 HIS 19 27.870 12.951 -8.224
161 HE1 HIS 19 HE1 HIS 19 25.282 11.677 -5.145
162 H LEU 20 HN LEU 20 30.223 13.707 -3.172
163 HA LEU 20 HA LEU 20 27.707 14.479 -1.948
164 HB2 LEU 20 HB2 LEU 20 29.453 12.592 -1.314
165 HB3 LEU 20 HB1 LEU 20 30.221 13.876 -0.358
166 HG LEU 20 HG LEU 20 27.325 12.931 -0.129
167 HD11 LEU 20 HD11 LEU 20 29.059 11.402 0.818
168 HD12 LEU 20 HD12 LEU 20 28.029 12.120 2.079
169 HD13 LEU 20 HD13 LEU 20 29.673 12.747 1.809
170 HD21 LEU 20 HD21 LEU 20 27.269 15.257 0.382
171 HD22 LEU 20 HD22 LEU 20 28.865 15.215 1.171
172 HD23 LEU 20 HD23 LEU 20 27.454 14.476 1.967
Start of MODEL 17
1 H1 TRP 1 HT1 TRP 1 32.711 3.600 11.384
2 H2 TRP 1 HT2 TRP 1 34.246 3.643 12.111
3 H3 TRP 1 HT3 TRP 1 34.086 3.193 10.480
4 HA TRP 1 HA TRP 1 32.918 5.567 10.441
5 HB2 TRP 1 HB2 TRP 1 35.138 5.626 12.521
6 HB3 TRP 1 HB1 TRP 1 34.481 7.072 11.716
7 HD1 TRP 1 HD1 TRP 1 33.258 4.098 13.875
8 HE1 TRP 1 HE1 TRP 1 31.219 4.866 15.296
9 HE3 TRP 1 HE3 TRP 1 32.731 8.845 12.030
10 HZ2 TRP 1 HZ2 TRP 1 29.602 7.233 15.569
11 HZ3 TRP 1 HZ3 TRP 1 30.933 10.340 12.886
12 HH2 TRP 1 HH2 TRP 1 29.370 9.539 14.652
13 H LEU 2 HN LEU 2 34.557 7.336 9.622
14 HA LEU 2 HA LEU 2 36.009 6.080 7.438
15 HB2 LEU 2 HB2 LEU 2 36.220 8.971 8.335
16 HB3 LEU 2 HB1 LEU 2 36.441 8.306 6.699
17 HG LEU 2 HG LEU 2 33.838 8.427 8.287
18 HD11 LEU 2 HD11 LEU 2 34.702 10.549 7.199
19 HD12 LEU 2 HD12 LEU 2 33.127 9.995 6.582
20 HD13 LEU 2 HD13 LEU 2 34.604 9.712 5.632
21 HD21 LEU 2 HD21 LEU 2 32.901 7.582 6.012
22 HD22 LEU 2 HD22 LEU 2 33.714 6.389 7.049
23 HD23 LEU 2 HD23 LEU 2 34.572 7.084 5.652
24 H ARG 3 HN ARG 3 36.738 6.519 10.660
25 HA ARG 3 HA ARG 3 38.696 6.286 11.866
26 HB2 ARG 3 HB2 ARG 3 40.125 5.615 9.269
27 HB3 ARG 3 HB1 ARG 3 40.575 5.147 10.917
28 HG2 ARG 3 HG2 ARG 3 37.953 4.268 9.634
29 HG3 ARG 3 HG1 ARG 3 39.453 3.334 9.481
30 HD2 ARG 3 HD2 ARG 3 38.023 4.060 12.077
31 HD3 ARG 3 HD1 ARG 3 38.160 2.447 11.348
32 HE ARG 3 HE ARG 3 40.797 3.423 11.735
33 HH11 ARG 3 HH11 ARG 3 38.694 4.070 14.121
34 HH12 ARG 3 HH12 ARG 3 39.267 2.897 15.259
35 HH21 ARG 3 HH21 ARG 3 41.255 1.239 12.952
36 HH22 ARG 3 HH22 ARG 3 40.716 1.295 14.597
37 H ARG 4 HN ARG 4 40.151 7.369 8.768
38 HA ARG 4 HA ARG 4 41.640 9.446 10.188
39 HB2 ARG 4 HB2 ARG 4 41.296 9.208 7.181
40 HB3 ARG 4 HB1 ARG 4 42.658 9.905 8.087
41 HG2 ARG 4 HG2 ARG 4 41.838 6.967 8.022
42 HG3 ARG 4 HG1 ARG 4 43.276 7.681 7.256
43 HD2 ARG 4 HD2 ARG 4 42.687 7.327 10.212
44 HD3 ARG 4 HD1 ARG 4 44.100 6.771 9.287
45 HE ARG 4 HE ARG 4 43.799 9.383 10.500
46 HH11 ARG 4 HH11 ARG 4 44.899 11.165 9.490
47 HH12 ARG 4 HH12 ARG 4 46.202 10.794 8.410
48 HH21 ARG 4 HH21 ARG 4 45.546 7.390 8.360
49 HH22 ARG 4 HH22 ARG 4 46.568 8.660 7.770
50 H ILE 5 HN ILE 5 38.516 9.359 9.854
51 HA ILE 5 HA ILE 5 36.825 10.919 9.546
52 HB ILE 5 HB ILE 5 38.959 13.035 10.059
53 HG12 ILE 5 HG12 ILE 5 37.518 11.201 12.031
54 HG13 ILE 5 HG11 ILE 5 39.267 11.245 11.709
55 HG21 ILE 5 HG21 ILE 5 37.146 14.308 10.973
56 HG22 ILE 5 HG22 ILE 5 36.064 12.894 10.995
57 HG23 ILE 5 HG23 ILE 5 36.532 13.637 9.446
58 HD11 ILE 5 HD1 ILE 5 39.131 13.754 12.400
59 HD12 ILE 5 HD2 ILE 5 39.015 12.532 13.688
60 HD13 ILE 5 HD3 ILE 5 37.543 13.330 13.088
61 H GLY 6 HN GLY 6 36.902 10.263 7.236
62 HA2 GLY 6 HA1 GLY 6 36.488 11.079 5.084
63 HA3 GLY 6 HA2 GLY 6 37.094 12.676 5.567
64 H LYS 7 HN LYS 7 38.063 9.363 4.686
65 HA LYS 7 HA LYS 7 40.863 9.851 4.479
66 HB2 LYS 7 HB2 LYS 7 39.201 7.952 2.779
67 HB3 LYS 7 HB1 LYS 7 40.937 7.824 3.149
68 HG2 LYS 7 HG2 LYS 7 40.249 7.753 5.631
69 HG3 LYS 7 HG1 LYS 7 38.584 7.509 5.056
70 HD2 LYS 7 HD2 LYS 7 40.993 5.742 4.430
71 HD3 LYS 7 HD1 LYS 7 39.640 5.335 5.512
72 HE2 LYS 7 HE2 LYS 7 39.618 5.648 2.491
73 HE3 LYS 7 HE1 LYS 7 39.093 4.257 3.467
74 HZ1 LYS 7 HZ1 LYS 7 37.764 6.904 3.222
75 HZ2 LYS 7 HZ2 LYS 7 37.344 5.759 4.404
76 HZ3 LYS 7 HZ3 LYS 7 37.157 5.390 2.757
77 H GLY 8 HN GLY 8 40.816 8.748 1.570
78 HA2 GLY 8 HA1 GLY 8 40.865 9.622 -0.590
79 HA3 GLY 8 HA2 GLY 8 40.003 11.063 -0.017
80 H VAL 9 HN VAL 9 41.574 12.037 -1.606
81 HA VAL 9 HA VAL 9 44.376 12.184 -0.775
82 HB VAL 9 HB VAL 9 42.898 14.019 -2.708
83 HG11 VAL 9 HG11 VAL 9 45.131 14.787 -2.008
84 HG12 VAL 9 HG12 VAL 9 45.179 14.228 -3.696
85 HG13 VAL 9 HG13 VAL 9 45.820 13.193 -2.397
86 HG21 VAL 9 HG21 VAL 9 44.329 11.375 -3.249
87 HG22 VAL 9 HG22 VAL 9 43.608 12.448 -4.473
88 HG23 VAL 9 HG23 VAL 9 42.566 11.616 -3.295
89 H LYS 10 HN LYS 10 41.907 14.764 -1.202
90 HA LYS 10 HA LYS 10 42.305 15.836 1.451
91 HB2 LYS 10 HB2 LYS 10 44.498 16.490 0.528
92 HB3 LYS 10 HB1 LYS 10 43.687 17.301 -0.833
93 HG2 LYS 10 HG2 LYS 10 42.664 18.922 0.624
94 HG3 LYS 10 HG1 LYS 10 43.140 18.011 2.077
95 HD2 LYS 10 HD2 LYS 10 44.647 19.929 1.758
96 HD3 LYS 10 HD1 LYS 10 45.538 18.408 1.520
97 HE2 LYS 10 HE2 LYS 10 45.608 18.676 -0.835
98 HE3 LYS 10 HE1 LYS 10 44.283 19.866 -0.835
99 HZ1 LYS 10 HZ1 LYS 10 45.956 21.186 0.657
100 HZ2 LYS 10 HZ2 LYS 10 46.094 21.219 -1.037
101 HZ3 LYS 10 HZ3 LYS 10 47.113 20.218 -0.118
102 H ILE 11 HN ILE 11 41.787 17.023 -1.914
103 HA ILE 11 HA ILE 11 39.570 18.718 -1.012
104 HB ILE 11 HB ILE 11 39.215 19.145 -3.429
105 HG12 ILE 11 HG12 ILE 11 41.534 17.178 -3.722
106 HG13 ILE 11 HG11 ILE 11 39.876 16.957 -4.328
107 HG21 ILE 11 HG21 ILE 11 42.175 19.344 -2.731
108 HG22 ILE 11 HG22 ILE 11 40.940 20.375 -1.969
109 HG23 ILE 11 HG23 ILE 11 41.210 20.461 -3.725
110 HD11 ILE 11 HD1 ILE 11 42.004 18.892 -5.300
111 HD12 ILE 11 HD2 ILE 11 40.280 19.171 -5.647
112 HD13 ILE 11 HD3 ILE 11 41.080 17.694 -6.233
113 H ILE 12 HN ILE 12 39.750 15.511 -1.164
114 HA ILE 12 HA ILE 12 37.416 14.835 -2.756
115 HB ILE 12 HB ILE 12 38.731 13.455 -0.403
116 HG12 ILE 12 HG12 ILE 12 40.382 13.713 -2.133
117 HG13 ILE 12 HG11 ILE 12 39.842 12.025 -2.198
118 HG21 ILE 12 HG21 ILE 12 36.564 12.587 -2.345
119 HG22 ILE 12 HG22 ILE 12 36.669 12.345 -0.589
120 HG23 ILE 12 HG23 ILE 12 37.668 11.360 -1.679
121 HD11 ILE 12 HD1 ILE 12 39.250 14.295 -4.120
122 HD12 ILE 12 HD2 ILE 12 38.141 12.910 -4.012
123 HD13 ILE 12 HD3 ILE 12 39.837 12.654 -4.470
124 H GLY 13 HN GLY 13 37.585 13.966 0.670
125 HA2 GLY 13 HA1 GLY 13 34.836 14.602 1.148
126 HA3 GLY 13 HA2 GLY 13 36.088 14.342 2.385
127 H GLY 14 HN GLY 14 37.456 16.409 0.375
128 HA2 GLY 14 HA1 GLY 14 36.876 18.759 2.099
129 HA3 GLY 14 HA2 GLY 14 38.112 18.634 0.828
130 H ALA 15 HN ALA 15 36.450 17.619 -1.260
131 HA ALA 15 HA ALA 15 34.961 20.153 -1.907
132 HB1 ALA 15 HB1 ALA 15 34.917 19.289 -4.191
133 HB2 ALA 15 HB2 ALA 15 35.620 17.745 -3.655
134 HB3 ALA 15 HB3 ALA 15 36.583 19.243 -3.574
135 H ALA 16 HN ALA 16 34.181 18.130 0.080
136 HA ALA 16 HA ALA 16 32.161 17.274 0.805
137 HB1 ALA 16 HB1 ALA 16 30.144 17.811 -0.252
138 HB2 ALA 16 HB2 ALA 16 30.848 17.731 -1.884
139 HB3 ALA 16 HB3 ALA 16 31.212 19.113 -0.824
140 H LEU 17 HN LEU 17 34.291 15.737 -0.311
141 HA LEU 17 HA LEU 17 34.623 13.522 -0.947
142 HB2 LEU 17 HB2 LEU 17 32.327 13.419 0.491
143 HB3 LEU 17 HB1 LEU 17 31.670 12.898 -1.073
144 HG LEU 17 HG LEU 17 34.076 11.624 0.324
145 HD11 LEU 17 HD11 LEU 17 31.935 11.266 1.540
146 HD12 LEU 17 HD12 LEU 17 32.536 9.761 0.803
147 HD13 LEU 17 HD13 LEU 17 31.198 10.654 0.040
148 HD21 LEU 17 HD21 LEU 17 33.675 9.817 -1.376
149 HD22 LEU 17 HD22 LEU 17 34.158 11.362 -2.114
150 HD23 LEU 17 HD23 LEU 17 32.451 10.854 -2.144
151 H ASP 18 HN ASP 18 34.599 15.468 -2.915
152 HA ASP 18 HA ASP 18 34.434 15.721 -5.214
153 HB2 ASP 18 HB2 ASP 18 35.613 13.498 -5.082
154 HB3 ASP 18 HB1 ASP 18 34.027 12.707 -5.241
155 H HIS 19 HN HIS 19 32.024 16.004 -3.645
156 HA HIS 19 HA HIS 19 29.725 16.147 -3.936
157 HB2 HIS 19 HB2 HIS 19 30.599 16.130 -6.852
158 HB3 HIS 19 HB1 HIS 19 28.967 16.558 -6.286
159 HD1 HIS 19 HD1 HIS 19 32.312 17.962 -6.880
160 HD2 HIS 19 HD2 HIS 19 29.024 18.888 -4.424
161 HE1 HIS 19 HE1 HIS 19 32.617 20.368 -6.075
162 H LEU 20 HN LEU 20 30.215 13.705 -3.160
163 HA LEU 20 HA LEU 20 28.159 12.144 -4.484
164 HB2 LEU 20 HB2 LEU 20 30.356 11.907 -5.924
165 HB3 LEU 20 HB1 LEU 20 30.899 10.843 -4.610
166 HG LEU 20 HG LEU 20 28.332 10.519 -6.236
167 HD11 LEU 20 HD11 LEU 20 29.454 8.552 -7.181
168 HD12 LEU 20 HD12 LEU 20 30.884 8.846 -6.161
169 HD13 LEU 20 HD13 LEU 20 30.457 9.997 -7.451
170 HD21 LEU 20 HD21 LEU 20 29.499 9.023 -3.855
171 HD22 LEU 20 HD22 LEU 20 28.423 8.202 -5.011
172 HD23 LEU 20 HD23 LEU 20 27.837 9.610 -4.099
Start of MODEL 18
1 H1 TRP 1 HT1 TRP 1 30.939 3.926 8.637
2 H2 TRP 1 HT2 TRP 1 30.874 5.533 9.188
3 H3 TRP 1 HT3 TRP 1 31.896 4.409 9.950
4 HA TRP 1 HA TRP 1 32.258 4.835 7.107
5 HB2 TRP 1 HB2 TRP 1 33.796 6.796 7.716
6 HB3 TRP 1 HB1 TRP 1 32.047 7.122 7.745
7 HD1 TRP 1 HD1 TRP 1 34.793 5.983 10.245
8 HE1 TRP 1 HE1 TRP 1 34.305 7.044 12.568
9 HE3 TRP 1 HE3 TRP 1 30.428 8.411 9.122
10 HZ2 TRP 1 HZ2 TRP 1 32.282 8.717 13.747
11 HZ3 TRP 1 HZ3 TRP 1 29.236 9.735 10.863
12 HH2 TRP 1 HH2 TRP 1 30.158 9.891 13.172
13 H LEU 2 HN LEU 2 34.478 4.497 6.531
14 HA LEU 2 HA LEU 2 35.719 2.440 8.178
15 HB2 LEU 2 HB2 LEU 2 37.041 3.874 5.850
16 HB3 LEU 2 HB1 LEU 2 37.266 2.195 6.397
17 HG LEU 2 HG LEU 2 34.762 3.373 5.113
18 HD11 LEU 2 HD11 LEU 2 36.599 2.915 3.535
19 HD12 LEU 2 HD12 LEU 2 35.294 1.723 3.323
20 HD13 LEU 2 HD13 LEU 2 36.778 1.272 4.197
21 HD21 LEU 2 HD21 LEU 2 33.993 1.764 6.717
22 HD22 LEU 2 HD22 LEU 2 35.344 0.657 6.369
23 HD23 LEU 2 HD23 LEU 2 34.049 0.890 5.169
24 H ARG 3 HN ARG 3 35.696 5.792 8.327
25 HA ARG 3 HA ARG 3 36.859 7.237 9.706
26 HB2 ARG 3 HB2 ARG 3 37.154 5.048 11.138
27 HB3 ARG 3 HB1 ARG 3 38.822 5.070 10.521
28 HG2 ARG 3 HG2 ARG 3 39.033 7.445 11.336
29 HG3 ARG 3 HG1 ARG 3 37.424 7.286 12.079
30 HD2 ARG 3 HD2 ARG 3 38.204 5.443 13.485
31 HD3 ARG 3 HD1 ARG 3 39.790 5.459 12.678
32 HE ARG 3 HE ARG 3 39.284 8.064 13.743
33 HH11 ARG 3 HH11 ARG 3 41.845 6.743 14.239
34 HH12 ARG 3 HH12 ARG 3 41.769 6.333 15.920
35 HH21 ARG 3 HH21 ARG 3 38.327 6.707 16.126
36 HH22 ARG 3 HH22 ARG 3 39.776 6.313 16.989
37 H ARG 4 HN ARG 4 38.775 4.947 7.774
38 HA ARG 4 HA ARG 4 41.037 6.762 7.492
39 HB2 ARG 4 HB2 ARG 4 40.201 4.365 5.806
40 HB3 ARG 4 HB1 ARG 4 41.791 5.168 5.771
41 HG2 ARG 4 HG2 ARG 4 42.204 4.569 8.099
42 HG3 ARG 4 HG1 ARG 4 40.562 3.899 8.255
43 HD2 ARG 4 HD2 ARG 4 42.132 2.061 7.898
44 HD3 ARG 4 HD1 ARG 4 41.120 2.244 6.446
45 HE ARG 4 HE ARG 4 43.409 3.823 6.001
46 HH11 ARG 4 HH11 ARG 4 44.533 2.834 4.204
47 HH12 ARG 4 HH12 ARG 4 45.040 1.190 4.397
48 HH21 ARG 4 HH21 ARG 4 43.238 0.698 7.319
49 HH22 ARG 4 HH22 ARG 4 44.306 -0.020 6.159
50 H ILE 5 HN ILE 5 38.114 5.968 5.638
51 HA ILE 5 HA ILE 5 38.853 7.669 3.377
52 HB ILE 5 HB ILE 5 37.319 5.706 3.149
53 HG12 ILE 5 HG12 ILE 5 35.974 8.377 2.514
54 HG13 ILE 5 HG11 ILE 5 37.278 7.650 1.548
55 HG21 ILE 5 HG21 ILE 5 36.185 6.182 5.407
56 HG22 ILE 5 HG22 ILE 5 35.105 5.727 4.070
57 HG23 ILE 5 HG23 ILE 5 35.244 7.432 4.560
58 HD11 ILE 5 HD1 ILE 5 35.754 5.558 1.386
59 HD12 ILE 5 HD2 ILE 5 35.273 6.990 0.448
60 HD13 ILE 5 HD3 ILE 5 34.454 6.618 1.983
61 H GLY 6 HN GLY 6 36.929 7.962 6.342
62 HA2 GLY 6 HA1 GLY 6 35.648 10.434 5.683
63 HA3 GLY 6 HA2 GLY 6 35.922 9.801 7.317
64 H LYS 7 HN LYS 7 38.887 9.655 6.726
65 HA LYS 7 HA LYS 7 39.671 12.057 7.961
66 HB2 LYS 7 HB2 LYS 7 41.031 9.905 7.574
67 HB3 LYS 7 HB1 LYS 7 41.393 10.551 5.959
68 HG2 LYS 7 HG2 LYS 7 43.224 11.392 7.150
69 HG3 LYS 7 HG1 LYS 7 42.088 12.745 7.342
70 HD2 LYS 7 HD2 LYS 7 41.371 11.782 9.546
71 HD3 LYS 7 HD1 LYS 7 42.579 10.493 9.346
72 HE2 LYS 7 HE2 LYS 7 43.544 12.243 10.737
73 HE3 LYS 7 HE1 LYS 7 44.354 12.271 9.152
74 HZ1 LYS 7 HZ1 LYS 7 41.964 13.929 9.476
75 HZ2 LYS 7 HZ2 LYS 7 43.382 14.225 8.589
76 HZ3 LYS 7 HZ3 LYS 7 43.371 14.441 10.274
77 H GLY 8 HN GLY 8 38.941 11.382 4.602
78 HA2 GLY 8 HA1 GLY 8 38.597 12.884 2.865
79 HA3 GLY 8 HA2 GLY 8 38.901 14.222 3.991
80 H VAL 9 HN VAL 9 39.868 13.152 1.158
81 HA VAL 9 HA VAL 9 42.736 12.924 1.459
82 HB VAL 9 HB VAL 9 41.056 13.690 -0.973
83 HG11 VAL 9 HG11 VAL 9 43.154 12.859 -2.194
84 HG12 VAL 9 HG12 VAL 9 43.995 12.966 -0.629
85 HG13 VAL 9 HG13 VAL 9 43.312 14.430 -1.374
86 HG21 VAL 9 HG21 VAL 9 40.538 11.453 -0.080
87 HG22 VAL 9 HG22 VAL 9 42.271 11.050 -0.040
88 HG23 VAL 9 HG23 VAL 9 41.452 11.305 -1.599
89 H LYS 10 HN LYS 10 41.242 15.445 -0.559
90 HA LYS 10 HA LYS 10 42.117 17.660 1.080
91 HB2 LYS 10 HB2 LYS 10 44.338 16.736 0.295
92 HB3 LYS 10 HB1 LYS 10 43.833 17.109 -1.370
93 HG2 LYS 10 HG2 LYS 10 43.552 19.486 -0.768
94 HG3 LYS 10 HG1 LYS 10 44.020 19.125 0.912
95 HD2 LYS 10 HD2 LYS 10 46.221 18.264 0.067
96 HD3 LYS 10 HD1 LYS 10 45.753 18.778 -1.572
97 HE2 LYS 10 HE2 LYS 10 47.136 20.517 -0.535
98 HE3 LYS 10 HE1 LYS 10 45.472 21.116 -0.724
99 HZ1 LYS 10 HZ1 LYS 10 46.893 21.121 1.586
100 HZ2 LYS 10 HZ2 LYS 10 45.926 19.735 1.764
101 HZ3 LYS 10 HZ3 LYS 10 45.205 21.246 1.475
102 H ILE 11 HN ILE 11 41.009 16.244 -1.903
103 HA ILE 11 HA ILE 11 39.685 18.859 -2.622
104 HB ILE 11 HB ILE 11 40.704 16.837 -4.660
105 HG12 ILE 11 HG12 ILE 11 42.041 19.389 -3.643
106 HG13 ILE 11 HG11 ILE 11 42.639 17.729 -3.417
107 HG21 ILE 11 HG21 ILE 11 38.826 18.525 -5.188
108 HG22 ILE 11 HG22 ILE 11 40.243 18.560 -6.260
109 HG23 ILE 11 HG23 ILE 11 40.055 19.796 -4.992
110 HD11 ILE 11 HD1 ILE 11 42.579 17.566 -6.018
111 HD12 ILE 11 HD2 ILE 11 43.874 18.535 -5.276
112 HD13 ILE 11 HD3 ILE 11 42.456 19.342 -5.984
113 H ILE 12 HN ILE 12 39.747 15.308 -3.088
114 HA ILE 12 HA ILE 12 36.918 15.278 -3.902
115 HB ILE 12 HB ILE 12 38.866 13.060 -3.183
116 HG12 ILE 12 HG12 ILE 12 37.971 13.721 -6.020
117 HG13 ILE 12 HG11 ILE 12 39.268 14.677 -5.272
118 HG21 ILE 12 HG21 ILE 12 36.007 13.054 -4.197
119 HG22 ILE 12 HG22 ILE 12 36.791 11.969 -3.026
120 HG23 ILE 12 HG23 ILE 12 37.101 11.771 -4.760
121 HD11 ILE 12 HD1 ILE 12 39.253 11.648 -5.653
122 HD12 ILE 12 HD2 ILE 12 40.519 12.561 -4.798
123 HD13 ILE 12 HD3 ILE 12 40.248 12.827 -6.536
124 H GLY 13 HN GLY 13 38.137 12.845 -1.660
125 HA2 GLY 13 HA1 GLY 13 35.895 13.028 0.086
126 HA3 GLY 13 HA2 GLY 13 37.467 12.302 0.492
127 H GLY 14 HN GLY 14 38.329 15.084 -0.623
128 HA2 GLY 14 HA1 GLY 14 38.689 16.346 2.017
129 HA3 GLY 14 HA2 GLY 14 39.362 16.889 0.463
130 H ALA 15 HN ALA 15 37.137 17.124 -1.168
131 HA ALA 15 HA ALA 15 35.788 19.461 0.158
132 HB1 ALA 15 HB1 ALA 15 35.427 18.452 -2.687
133 HB2 ALA 15 HB2 ALA 15 36.718 19.585 -2.208
134 HB3 ALA 15 HB3 ALA 15 35.012 20.050 -2.027
135 H ALA 16 HN ALA 16 35.406 16.704 0.993
136 HA ALA 16 HA ALA 16 33.620 15.472 1.782
137 HB1 ALA 16 HB1 ALA 16 32.456 17.826 1.722
138 HB2 ALA 16 HB2 ALA 16 31.455 16.360 1.854
139 HB3 ALA 16 HB3 ALA 16 31.624 17.186 0.286
140 H LEU 17 HN LEU 17 35.069 14.590 -0.364
141 HA LEU 17 HA LEU 17 34.916 13.027 -2.078
142 HB2 LEU 17 HB2 LEU 17 31.939 12.808 -1.495
143 HB3 LEU 17 HB1 LEU 17 32.971 11.617 -2.305
144 HG LEU 17 HG LEU 17 33.637 12.479 0.537
145 HD11 LEU 17 HD11 LEU 17 32.251 10.554 1.347
146 HD12 LEU 17 HD12 LEU 17 31.570 10.396 -0.290
147 HD13 LEU 17 HD13 LEU 17 31.274 11.872 0.658
148 HD21 LEU 17 HD21 LEU 17 33.891 9.778 -0.856
149 HD22 LEU 17 HD22 LEU 17 34.680 10.303 0.649
150 HD23 LEU 17 HD23 LEU 17 35.167 11.013 -0.906
151 H ASP 18 HN ASP 18 34.974 15.593 -2.870
152 HA ASP 18 HA ASP 18 34.524 16.950 -4.685
153 HB2 ASP 18 HB2 ASP 18 34.941 14.746 -5.879
154 HB3 ASP 18 HB1 ASP 18 33.177 14.528 -5.937
155 H HIS 19 HN HIS 19 31.655 14.820 -5.005
156 HA HIS 19 HA HIS 19 29.885 16.811 -3.799
157 HB2 HIS 19 HB2 HIS 19 28.575 17.162 -5.940
158 HB3 HIS 19 HB1 HIS 19 30.166 17.959 -5.900
159 HD1 HIS 19 HD1 HIS 19 30.034 14.234 -6.382
160 HD2 HIS 19 HD2 HIS 19 30.295 17.676 -8.785
161 HE1 HIS 19 HE1 HIS 19 30.751 13.481 -8.715
162 H LEU 20 HN LEU 20 30.630 13.907 -3.709
163 HA LEU 20 HA LEU 20 28.423 12.410 -4.829
164 HB2 LEU 20 HB2 LEU 20 30.800 11.647 -3.936
165 HB3 LEU 20 HB1 LEU 20 29.961 11.497 -2.377
166 HG LEU 20 HG LEU 20 29.213 10.110 -4.994
167 HD11 LEU 20 HD11 LEU 20 30.174 9.014 -2.314
168 HD12 LEU 20 HD12 LEU 20 31.187 9.191 -3.768
169 HD13 LEU 20 HD13 LEU 20 29.809 8.063 -3.773
170 HD21 LEU 20 HD21 LEU 20 27.136 10.549 -3.900
171 HD22 LEU 20 HD22 LEU 20 27.830 10.263 -2.284
172 HD23 LEU 20 HD23 LEU 20 27.563 8.899 -3.395
Start of MODEL 19
1 H1 TRP 1 HT1 TRP 1 36.415 17.028 15.244
2 H2 TRP 1 HT2 TRP 1 35.413 17.548 13.975
3 H3 TRP 1 HT3 TRP 1 36.672 18.545 14.533
4 HA TRP 1 HA TRP 1 37.555 17.699 12.635
5 HB2 TRP 1 HB2 TRP 1 38.312 15.773 14.868
6 HB3 TRP 1 HB1 TRP 1 39.230 16.020 13.364
7 HD1 TRP 1 HD1 TRP 1 40.785 18.074 13.219
8 HE1 TRP 1 HE1 TRP 1 41.457 20.000 14.831
9 HE3 TRP 1 HE3 TRP 1 37.276 17.328 16.872
10 HZ2 TRP 1 HZ2 TRP 1 40.567 21.049 17.361
11 HZ3 TRP 1 HZ3 TRP 1 37.207 18.802 18.875
12 HH2 TRP 1 HH2 TRP 1 38.847 20.661 19.124
13 H LEU 2 HN LEU 2 38.124 15.710 11.326
14 HA LEU 2 HA LEU 2 35.678 14.352 10.631
15 HB2 LEU 2 HB2 LEU 2 38.480 13.451 9.875
16 HB3 LEU 2 HB1 LEU 2 36.968 13.239 8.961
17 HG LEU 2 HG LEU 2 38.375 15.886 9.535
18 HD11 LEU 2 HD11 LEU 2 37.923 14.317 6.957
19 HD12 LEU 2 HD12 LEU 2 39.474 14.485 7.815
20 HD13 LEU 2 HD13 LEU 2 38.704 15.911 7.078
21 HD21 LEU 2 HD21 LEU 2 35.717 15.193 8.214
22 HD22 LEU 2 HD22 LEU 2 36.582 16.703 7.840
23 HD23 LEU 2 HD23 LEU 2 36.038 16.380 9.500
24 H ARG 3 HN ARG 3 37.800 13.908 13.184
25 HA ARG 3 HA ARG 3 37.918 12.271 14.805
26 HB2 ARG 3 HB2 ARG 3 35.375 12.100 14.228
27 HB3 ARG 3 HB1 ARG 3 35.821 10.614 13.359
28 HG2 ARG 3 HG2 ARG 3 36.939 9.791 15.466
29 HG3 ARG 3 HG1 ARG 3 36.296 11.220 16.309
30 HD2 ARG 3 HD2 ARG 3 33.987 10.539 15.685
31 HD3 ARG 3 HD1 ARG 3 34.642 9.092 14.882
32 HE ARG 3 HE ARG 3 34.720 8.114 17.018
33 HH11 ARG 3 HH11 ARG 3 33.448 11.032 17.690
34 HH12 ARG 3 HH12 ARG 3 34.247 11.285 19.205
35 HH21 ARG 3 HH21 ARG 3 36.455 8.645 18.784
36 HH22 ARG 3 HH22 ARG 3 35.950 9.935 19.824
37 H ARG 4 HN ARG 4 37.058 10.325 11.897
38 HA ARG 4 HA ARG 4 39.114 8.383 12.447
39 HB2 ARG 4 HB2 ARG 4 36.970 8.075 11.075
40 HB3 ARG 4 HB1 ARG 4 37.812 8.913 9.751
41 HG2 ARG 4 HG2 ARG 4 39.576 7.218 9.736
42 HG3 ARG 4 HG1 ARG 4 38.865 6.418 11.159
43 HD2 ARG 4 HD2 ARG 4 36.746 6.085 9.802
44 HD3 ARG 4 HD1 ARG 4 37.644 6.671 8.381
45 HE ARG 4 HE ARG 4 37.818 4.023 9.452
46 HH11 ARG 4 HH11 ARG 4 38.915 5.544 6.870
47 HH12 ARG 4 HH12 ARG 4 40.561 5.006 6.931
48 HH21 ARG 4 HH21 ARG 4 40.317 3.782 10.167
49 HH22 ARG 4 HH22 ARG 4 41.354 4.008 8.799
50 H ILE 5 HN ILE 5 39.202 11.528 11.170
51 HA ILE 5 HA ILE 5 40.716 12.644 9.764
52 HB ILE 5 HB ILE 5 43.053 12.551 10.702
53 HG12 ILE 5 HG12 ILE 5 41.853 10.526 12.652
54 HG13 ILE 5 HG11 ILE 5 42.918 10.077 11.302
55 HG21 ILE 5 HG21 ILE 5 41.163 13.961 11.655
56 HG22 ILE 5 HG22 ILE 5 42.444 13.558 12.817
57 HG23 ILE 5 HG23 ILE 5 40.898 12.677 12.857
58 HD11 ILE 5 HD1 ILE 5 43.575 11.728 13.764
59 HD12 ILE 5 HD2 ILE 5 44.589 11.809 12.303
60 HD13 ILE 5 HD3 ILE 5 44.382 10.265 13.159
61 H GLY 6 HN GLY 6 39.928 10.533 8.284
62 HA2 GLY 6 HA1 GLY 6 42.338 10.034 6.687
63 HA3 GLY 6 HA2 GLY 6 41.656 8.577 7.439
64 H LYS 7 HN LYS 7 38.882 9.628 7.293
65 HA LYS 7 HA LYS 7 38.328 8.655 4.588
66 HB2 LYS 7 HB2 LYS 7 35.954 9.045 5.217
67 HB3 LYS 7 HB1 LYS 7 36.830 8.084 6.432
68 HG2 LYS 7 HG2 LYS 7 37.194 10.146 7.782
69 HG3 LYS 7 HG1 LYS 7 36.268 11.080 6.583
70 HD2 LYS 7 HD2 LYS 7 34.335 9.459 6.976
71 HD3 LYS 7 HD1 LYS 7 35.260 8.821 8.357
72 HE2 LYS 7 HE2 LYS 7 35.380 11.170 9.273
73 HE3 LYS 7 HE1 LYS 7 34.287 11.682 7.967
74 HZ1 LYS 7 HZ1 LYS 7 32.671 10.042 8.766
75 HZ2 LYS 7 HZ2 LYS 7 33.044 11.191 9.961
76 HZ3 LYS 7 HZ3 LYS 7 33.706 9.628 10.044
77 H GLY 8 HN GLY 8 39.946 10.980 4.526
78 HA2 GLY 8 HA1 GLY 8 38.364 12.577 2.691
79 HA3 GLY 8 HA2 GLY 8 38.674 13.436 4.213
80 H VAL 9 HN VAL 9 39.759 12.986 1.122
81 HA VAL 9 HA VAL 9 42.615 12.879 1.571
82 HB VAL 9 HB VAL 9 41.072 13.940 -0.840
83 HG11 VAL 9 HG11 VAL 9 43.257 13.295 -2.003
84 HG12 VAL 9 HG12 VAL 9 43.978 13.148 -0.383
85 HG13 VAL 9 HG13 VAL 9 43.358 14.718 -0.941
86 HG21 VAL 9 HG21 VAL 9 42.226 11.193 -0.187
87 HG22 VAL 9 HG22 VAL 9 41.541 11.667 -1.760
88 HG23 VAL 9 HG23 VAL 9 40.500 11.606 -0.318
89 H LYS 10 HN LYS 10 41.365 15.590 -0.310
90 HA LYS 10 HA LYS 10 41.740 17.599 1.726
91 HB2 LYS 10 HB2 LYS 10 44.134 16.817 1.351
92 HB3 LYS 10 HB1 LYS 10 43.992 17.434 -0.311
93 HG2 LYS 10 HG2 LYS 10 43.438 19.686 0.575
94 HG3 LYS 10 HG1 LYS 10 43.597 19.069 2.236
95 HD2 LYS 10 HD2 LYS 10 45.951 18.545 1.872
96 HD3 LYS 10 HD1 LYS 10 45.819 18.985 0.152
97 HE2 LYS 10 HE2 LYS 10 46.826 20.829 1.475
98 HE3 LYS 10 HE1 LYS 10 45.260 21.312 0.781
99 HZ1 LYS 10 HZ1 LYS 10 45.354 20.120 3.475
100 HZ2 LYS 10 HZ2 LYS 10 44.228 21.209 2.815
101 HZ3 LYS 10 HZ3 LYS 10 45.771 21.752 3.275
102 H ILE 11 HN ILE 11 41.405 16.558 -1.591
103 HA ILE 11 HA ILE 11 40.210 19.247 -2.280
104 HB ILE 11 HB ILE 11 41.670 17.447 -4.250
105 HG12 ILE 11 HG12 ILE 11 42.734 19.825 -2.654
106 HG13 ILE 11 HG11 ILE 11 43.284 18.137 -2.527
107 HG21 ILE 11 HG21 ILE 11 41.107 20.440 -4.376
108 HG22 ILE 11 HG22 ILE 11 39.955 19.229 -4.988
109 HG23 ILE 11 HG23 ILE 11 41.578 19.353 -5.704
110 HD11 ILE 11 HD1 ILE 11 44.888 19.162 -3.946
111 HD12 ILE 11 HD2 ILE 11 43.649 20.077 -4.833
112 HD13 ILE 11 HD3 ILE 11 43.800 18.319 -5.074
113 H ILE 12 HN ILE 12 40.358 15.748 -3.047
114 HA ILE 12 HA ILE 12 37.733 15.931 -4.433
115 HB ILE 12 HB ILE 12 39.553 13.560 -3.874
116 HG12 ILE 12 HG12 ILE 12 39.204 15.146 -6.466
117 HG13 ILE 12 HG11 ILE 12 40.530 15.421 -5.315
118 HG21 ILE 12 HG21 ILE 12 37.307 12.776 -4.321
119 HG22 ILE 12 HG22 ILE 12 38.213 12.567 -5.831
120 HG23 ILE 12 HG23 ILE 12 37.097 13.940 -5.648
121 HD11 ILE 12 HD1 ILE 12 41.566 13.929 -6.786
122 HD12 ILE 12 HD2 ILE 12 40.057 13.073 -7.160
123 HD13 ILE 12 HD3 ILE 12 40.891 12.771 -5.617
124 H GLY 13 HN GLY 13 38.633 13.090 -2.537
125 HA2 GLY 13 HA1 GLY 13 36.117 12.985 -1.181
126 HA3 GLY 13 HA2 GLY 13 37.600 12.130 -0.696
127 H GLY 14 HN GLY 14 38.638 15.057 -1.072
128 HA2 GLY 14 HA1 GLY 14 38.573 15.744 1.796
129 HA3 GLY 14 HA2 GLY 14 39.504 16.550 0.515
130 H ALA 15 HN ALA 15 37.583 17.188 -1.380
131 HA ALA 15 HA ALA 15 36.129 19.336 0.112
132 HB1 ALA 15 HB1 ALA 15 36.080 18.714 -2.862
133 HB2 ALA 15 HB2 ALA 15 37.299 19.759 -2.085
134 HB3 ALA 15 HB3 ALA 15 35.581 20.219 -2.058
135 H ALA 16 HN ALA 16 35.566 16.459 0.439
136 HA ALA 16 HA ALA 16 33.644 15.263 0.903
137 HB1 ALA 16 HB1 ALA 16 31.527 16.247 0.867
138 HB2 ALA 16 HB2 ALA 16 31.878 17.216 -0.585
139 HB3 ALA 16 HB3 ALA 16 32.580 17.675 0.985
140 H LEU 17 HN LEU 17 35.352 14.780 -1.313
141 HA LEU 17 HA LEU 17 35.332 13.579 -3.313
142 HB2 LEU 17 HB2 LEU 17 33.775 12.188 -1.728
143 HB3 LEU 17 HB1 LEU 17 32.455 12.814 -2.736
144 HG LEU 17 HG LEU 17 34.026 11.965 -4.750
145 HD11 LEU 17 HD11 LEU 17 35.873 11.305 -3.139
146 HD12 LEU 17 HD12 LEU 17 35.318 9.986 -4.192
147 HD13 LEU 17 HD13 LEU 17 34.785 10.054 -2.497
148 HD21 LEU 17 HD21 LEU 17 32.844 9.774 -4.670
149 HD22 LEU 17 HD22 LEU 17 31.751 11.124 -4.284
150 HD23 LEU 17 HD23 LEU 17 32.386 10.092 -2.981
151 H ASP 18 HN ASP 18 34.217 16.392 -3.141
152 HA ASP 18 HA ASP 18 33.283 17.929 -4.600
153 HB2 ASP 18 HB2 ASP 18 33.616 15.763 -6.708
154 HB3 ASP 18 HB1 ASP 18 33.531 17.522 -6.968
155 H HIS 19 HN HIS 19 31.650 15.441 -3.464
156 HA HIS 19 HA HIS 19 29.098 16.443 -4.371
157 HB2 HIS 19 HB2 HIS 19 29.707 15.194 -6.423
158 HB3 HIS 19 HB1 HIS 19 29.924 13.718 -5.452
159 HD1 HIS 19 HD1 HIS 19 27.915 12.258 -5.271
160 HD2 HIS 19 HD2 HIS 19 26.878 16.278 -5.934
161 HE1 HIS 19 HE1 HIS 19 25.375 12.358 -5.521
162 H LEU 20 HN LEU 20 30.873 13.599 -3.137
163 HA LEU 20 HA LEU 20 30.553 12.377 -1.198
164 HB2 LEU 20 HB2 LEU 20 30.023 14.839 -0.343
165 HB3 LEU 20 HB1 LEU 20 28.353 14.238 -0.255
166 HG LEU 20 HG LEU 20 30.800 13.063 1.141
167 HD11 LEU 20 HD11 LEU 20 29.792 15.142 2.121
168 HD12 LEU 20 HD12 LEU 20 29.631 13.725 3.187
169 HD13 LEU 20 HD13 LEU 20 28.234 14.291 2.240
170 HD21 LEU 20 HD21 LEU 20 28.979 11.571 2.217
171 HD22 LEU 20 HD22 LEU 20 29.443 11.182 0.546
172 HD23 LEU 20 HD23 LEU 20 27.933 12.069 0.867
Start of MODEL 20
1 H1 TRP 1 HT1 TRP 1 41.828 2.614 13.149
2 H2 TRP 1 HT2 TRP 1 42.913 3.101 11.935
3 H3 TRP 1 HT3 TRP 1 41.861 1.793 11.666
4 HA TRP 1 HA TRP 1 41.098 3.732 10.517
5 HB2 TRP 1 HB2 TRP 1 38.813 3.831 11.561
6 HB3 TRP 1 HB1 TRP 1 39.408 2.174 11.294
7 HD1 TRP 1 HD1 TRP 1 38.442 4.620 14.009
8 HE1 TRP 1 HE1 TRP 1 38.523 3.461 16.336
9 HE3 TRP 1 HE3 TRP 1 40.709 0.236 12.649
10 HZ2 TRP 1 HZ2 TRP 1 39.454 0.963 17.426
11 HZ3 TRP 1 HZ3 TRP 1 41.184 -1.521 14.349
12 HH2 TRP 1 HH2 TRP 1 40.560 -1.161 16.734
13 H LEU 2 HN LEU 2 40.962 5.899 10.405
14 HA LEU 2 HA LEU 2 42.071 7.473 12.557
15 HB2 LEU 2 HB2 LEU 2 40.443 8.540 10.229
16 HB3 LEU 2 HB1 LEU 2 41.746 9.354 11.126
17 HG LEU 2 HG LEU 2 42.037 6.917 9.314
18 HD11 LEU 2 HD11 LEU 2 43.413 8.481 7.950
19 HD12 LEU 2 HD12 LEU 2 43.023 9.796 9.085
20 HD13 LEU 2 HD13 LEU 2 41.734 9.050 8.111
21 HD21 LEU 2 HD21 LEU 2 43.649 6.613 11.045
22 HD22 LEU 2 HD22 LEU 2 43.979 8.358 11.167
23 HD23 LEU 2 HD23 LEU 2 44.550 7.438 9.755
24 H ARG 3 HN ARG 3 38.897 7.969 11.001
25 HA ARG 3 HA ARG 3 37.579 8.048 13.680
26 HB2 ARG 3 HB2 ARG 3 37.658 10.350 11.685
27 HB3 ARG 3 HB1 ARG 3 36.439 10.213 12.976
28 HG2 ARG 3 HG2 ARG 3 38.257 10.130 14.671
29 HG3 ARG 3 HG1 ARG 3 39.462 10.310 13.375
30 HD2 ARG 3 HD2 ARG 3 39.021 12.498 14.392
31 HD3 ARG 3 HD1 ARG 3 38.399 12.477 12.726
32 HE ARG 3 HE ARG 3 36.333 11.692 14.586
33 HH11 ARG 3 HH11 ARG 3 34.551 13.135 14.289
34 HH12 ARG 3 HH12 ARG 3 34.884 14.832 14.217
35 HH21 ARG 3 HH21 ARG 3 38.326 14.420 14.112
36 HH22 ARG 3 HH22 ARG 3 37.022 15.562 14.118
37 H ARG 4 HN ARG 4 37.730 7.433 10.349
38 HA ARG 4 HA ARG 4 35.294 5.917 10.349
39 HB2 ARG 4 HB2 ARG 4 34.514 8.430 10.206
40 HB3 ARG 4 HB1 ARG 4 35.100 8.346 8.530
41 HG2 ARG 4 HG2 ARG 4 33.633 6.340 8.161
42 HG3 ARG 4 HG1 ARG 4 33.004 6.533 9.814
43 HD2 ARG 4 HD2 ARG 4 31.503 7.589 8.141
44 HD3 ARG 4 HD1 ARG 4 32.191 8.797 9.254
45 HE ARG 4 HE ARG 4 33.959 8.761 7.102
46 HH11 ARG 4 HH11 ARG 4 30.909 8.097 6.198
47 HH12 ARG 4 HH12 ARG 4 30.562 9.611 5.432
48 HH21 ARG 4 HH21 ARG 4 33.379 11.195 6.692
49 HH22 ARG 4 HH22 ARG 4 31.961 11.366 5.711
50 H ILE 5 HN ILE 5 38.264 6.167 9.588
51 HA ILE 5 HA ILE 5 39.626 5.300 7.929
52 HB ILE 5 HB ILE 5 37.135 4.110 6.633
53 HG12 ILE 5 HG12 ILE 5 38.758 3.104 9.017
54 HG13 ILE 5 HG11 ILE 5 37.049 3.595 9.031
55 HG21 ILE 5 HG21 ILE 5 38.650 2.463 5.777
56 HG22 ILE 5 HG22 ILE 5 39.955 2.982 6.872
57 HG23 ILE 5 HG23 ILE 5 39.457 4.027 5.519
58 HD11 ILE 5 HD1 ILE 5 36.966 1.227 8.885
59 HD12 ILE 5 HD2 ILE 5 38.308 1.163 7.719
60 HD13 ILE 5 HD3 ILE 5 36.711 1.766 7.208
61 H GLY 6 HN GLY 6 40.275 7.203 6.986
62 HA2 GLY 6 HA1 GLY 6 40.578 8.587 5.148
63 HA3 GLY 6 HA2 GLY 6 39.398 7.609 4.253
64 H LYS 7 HN LYS 7 39.286 9.684 7.185
65 HA LYS 7 HA LYS 7 36.656 10.587 6.897
66 HB2 LYS 7 HB2 LYS 7 37.345 12.564 8.200
67 HB3 LYS 7 HB1 LYS 7 38.082 11.080 8.853
68 HG2 LYS 7 HG2 LYS 7 40.128 11.607 7.408
69 HG3 LYS 7 HG1 LYS 7 39.396 13.201 7.106
70 HD2 LYS 7 HD2 LYS 7 40.018 12.052 9.865
71 HD3 LYS 7 HD1 LYS 7 41.015 13.251 9.009
72 HE2 LYS 7 HE2 LYS 7 38.820 14.667 8.877
73 HE3 LYS 7 HE1 LYS 7 38.220 13.574 10.149
74 HZ1 LYS 7 HZ1 LYS 7 39.239 15.481 11.150
75 HZ2 LYS 7 HZ2 LYS 7 40.670 15.262 10.258
76 HZ3 LYS 7 HZ3 LYS 7 40.224 14.132 11.447
77 H GLY 8 HN GLY 8 39.447 11.362 4.977
78 HA2 GLY 8 HA1 GLY 8 37.968 12.555 2.898
79 HA3 GLY 8 HA2 GLY 8 38.536 13.881 3.932
80 H VAL 9 HN VAL 9 39.778 14.641 2.131
81 HA VAL 9 HA VAL 9 42.445 13.308 2.024
82 HB VAL 9 HB VAL 9 40.830 14.006 -0.476
83 HG11 VAL 9 HG11 VAL 9 43.142 14.579 -0.865
84 HG12 VAL 9 HG12 VAL 9 42.888 12.983 -1.608
85 HG13 VAL 9 HG13 VAL 9 43.710 13.111 -0.034
86 HG21 VAL 9 HG21 VAL 9 41.814 11.373 0.712
87 HG22 VAL 9 HG22 VAL 9 41.157 11.539 -0.934
88 HG23 VAL 9 HG23 VAL 9 40.123 11.875 0.472
89 H LYS 10 HN LYS 10 41.122 15.756 -0.191
90 HA LYS 10 HA LYS 10 42.057 18.032 1.323
91 HB2 LYS 10 HB2 LYS 10 44.255 16.942 0.681
92 HB3 LYS 10 HB1 LYS 10 43.825 17.241 -1.021
93 HG2 LYS 10 HG2 LYS 10 43.639 19.666 -0.555
94 HG3 LYS 10 HG1 LYS 10 44.060 19.372 1.150
95 HD2 LYS 10 HD2 LYS 10 46.251 18.490 0.494
96 HD3 LYS 10 HD1 LYS 10 45.832 18.659 -1.228
97 HE2 LYS 10 HE2 LYS 10 45.531 21.129 -0.855
98 HE3 LYS 10 HE1 LYS 10 46.117 20.908 0.811
99 HZ1 LYS 10 HZ1 LYS 10 48.167 21.053 0.018
100 HZ2 LYS 10 HZ2 LYS 10 47.608 21.129 -1.584
101 HZ3 LYS 10 HZ3 LYS 10 47.927 19.624 -0.862
102 H ILE 11 HN ILE 11 40.977 16.469 -1.599
103 HA ILE 11 HA ILE 11 39.698 19.045 -2.465
104 HB ILE 11 HB ILE 11 41.004 17.128 -4.438
105 HG12 ILE 11 HG12 ILE 11 42.120 19.717 -3.259
106 HG13 ILE 11 HG11 ILE 11 42.768 18.082 -2.989
107 HG21 ILE 11 HG21 ILE 11 40.249 20.062 -4.765
108 HG22 ILE 11 HG22 ILE 11 39.104 18.741 -5.102
109 HG23 ILE 11 HG23 ILE 11 40.611 18.870 -6.036
110 HD11 ILE 11 HD1 ILE 11 44.141 18.971 -4.709
111 HD12 ILE 11 HD2 ILE 11 42.762 19.717 -5.549
112 HD13 ILE 11 HD3 ILE 11 42.974 17.948 -5.581
113 H ILE 12 HN ILE 12 39.969 15.506 -2.839
114 HA ILE 12 HA ILE 12 37.228 15.341 -3.951
115 HB ILE 12 HB ILE 12 39.214 13.193 -3.126
116 HG12 ILE 12 HG12 ILE 12 38.554 14.216 -5.930
117 HG13 ILE 12 HG11 ILE 12 39.946 14.784 -4.984
118 HG21 ILE 12 HG21 ILE 12 37.784 11.762 -4.681
119 HG22 ILE 12 HG22 ILE 12 36.622 13.106 -4.739
120 HG23 ILE 12 HG23 ILE 12 36.961 12.284 -3.201
121 HD11 ILE 12 HD1 ILE 12 40.940 13.080 -6.248
122 HD12 ILE 12 HD2 ILE 12 39.477 12.075 -6.251
123 HD13 ILE 12 HD3 ILE 12 40.488 12.171 -4.790
124 H GLY 13 HN GLY 13 38.479 12.988 -1.617
125 HA2 GLY 13 HA1 GLY 13 36.085 13.026 -0.032
126 HA3 GLY 13 HA2 GLY 13 37.658 12.353 0.459
127 H GLY 14 HN GLY 14 38.455 15.184 -0.600
128 HA2 GLY 14 HA1 GLY 14 38.640 16.438 2.063
129 HA3 GLY 14 HA2 GLY 14 39.365 17.019 0.546
130 H ALA 15 HN ALA 15 37.206 17.150 -1.184
131 HA ALA 15 HA ALA 15 35.741 19.464 0.019
132 HB1 ALA 15 HB1 ALA 15 35.482 18.230 -2.752
133 HB2 ALA 15 HB2 ALA 15 36.612 19.545 -2.333
134 HB3 ALA 15 HB3 ALA 15 34.857 19.805 -2.214
135 H ALA 16 HN ALA 16 35.491 16.657 0.935
136 HA ALA 16 HA ALA 16 33.769 15.407 1.822
137 HB1 ALA 16 HB1 ALA 16 31.666 17.008 0.350
138 HB2 ALA 16 HB2 ALA 16 32.527 17.727 1.730
139 HB3 ALA 16 HB3 ALA 16 31.585 16.233 1.950
140 H LEU 17 HN LEU 17 35.196 14.636 -0.467
141 HA LEU 17 HA LEU 17 34.994 12.980 -2.100
142 HB2 LEU 17 HB2 LEU 17 33.103 12.244 -0.314
143 HB3 LEU 17 HB1 LEU 17 32.024 12.629 -1.661
144 HG LEU 17 HG LEU 17 32.560 10.264 -1.733
145 HD11 LEU 17 HD11 LEU 17 33.518 10.072 -3.991
146 HD12 LEU 17 HD12 LEU 17 34.130 11.737 -3.893
147 HD13 LEU 17 HD13 LEU 17 32.377 11.430 -3.901
148 HD21 LEU 17 HD21 LEU 17 34.924 10.776 -0.532
149 HD22 LEU 17 HD22 LEU 17 35.513 10.722 -2.209
150 HD23 LEU 17 HD23 LEU 17 34.679 9.317 -1.517
151 H ASP 18 HN ASP 18 35.036 15.507 -2.956
152 HA ASP 18 HA ASP 18 34.517 16.842 -4.769
153 HB2 ASP 18 HB2 ASP 18 34.769 14.613 -5.963
154 HB3 ASP 18 HB1 ASP 18 32.999 14.459 -5.892
155 H HIS 19 HN HIS 19 31.564 14.809 -4.843
156 HA HIS 19 HA HIS 19 29.958 16.892 -3.552
157 HB2 HIS 19 HB2 HIS 19 28.517 17.334 -5.512
158 HB3 HIS 19 HB1 HIS 19 30.188 17.873 -5.803
159 HD1 HIS 19 HD1 HIS 19 30.743 14.473 -6.035
160 HD2 HIS 19 HD2 HIS 19 28.514 17.068 -8.481
161 HE1 HIS 19 HE1 HIS 19 30.571 13.386 -8.340
162 H LEU 20 HN LEU 20 30.324 14.358 -2.721
163 HA LEU 20 HA LEU 20 29.230 12.375 -2.239
164 HB2 LEU 20 HB2 LEU 20 27.542 14.331 -1.632
165 HB3 LEU 20 HB1 LEU 20 26.598 13.680 -2.989
166 HG LEU 20 HG LEU 20 27.521 12.160 -0.507
167 HD11 LEU 20 HD11 LEU 20 24.764 12.946 -1.553
168 HD12 LEU 20 HD12 LEU 20 25.594 13.660 -0.150
169 HD13 LEU 20 HD13 LEU 20 25.074 11.958 -0.106
170 HD21 LEU 20 HD21 LEU 20 27.620 10.573 -2.291
171 HD22 LEU 20 HD22 LEU 20 26.173 11.246 -3.081
172 HD23 LEU 20 HD23 LEU 20 26.017 10.331 -1.563
Start of MODEL 21
1 H1 TRP 1 HT1 TRP 1 41.716 10.674 7.880
2 H2 TRP 1 HT2 TRP 1 42.076 12.331 7.769
3 H3 TRP 1 HT3 TRP 1 40.780 11.802 8.732
4 HA TRP 1 HA TRP 1 42.130 10.912 10.338
5 HB2 TRP 1 HB2 TRP 1 44.628 11.381 8.677
6 HB3 TRP 1 HB1 TRP 1 44.366 10.252 10.032
7 HD1 TRP 1 HD1 TRP 1 41.818 8.745 9.122
8 HE1 TRP 1 HE1 TRP 1 41.831 7.144 7.073
9 HE3 TRP 1 HE3 TRP 1 45.915 10.598 6.675
10 HZ2 TRP 1 HZ2 TRP 1 43.422 6.750 4.706
11 HZ3 TRP 1 HZ3 TRP 1 46.662 9.594 4.523
12 HH2 TRP 1 HH2 TRP 1 45.421 7.674 3.536
13 H LEU 2 HN LEU 2 44.404 11.989 11.283
14 HA LEU 2 HA LEU 2 44.165 14.960 10.914
15 HB2 LEU 2 HB2 LEU 2 44.375 13.557 13.592
16 HB3 LEU 2 HB1 LEU 2 44.320 15.312 13.289
17 HG LEU 2 HG LEU 2 42.085 13.410 12.449
18 HD11 LEU 2 HD11 LEU 2 42.279 15.102 14.980
19 HD12 LEU 2 HD12 LEU 2 42.414 13.328 14.916
20 HD13 LEU 2 HD13 LEU 2 40.881 14.121 14.478
21 HD21 LEU 2 HD21 LEU 2 40.781 15.642 12.612
22 HD22 LEU 2 HD22 LEU 2 41.916 15.484 11.256
23 HD23 LEU 2 HD23 LEU 2 42.370 16.438 12.687
24 H ARG 3 HN ARG 3 46.013 12.203 10.892
25 HA ARG 3 HA ARG 3 48.406 12.793 12.208
26 HB2 ARG 3 HB2 ARG 3 47.892 10.765 10.756
27 HB3 ARG 3 HB1 ARG 3 48.279 11.776 9.343
28 HG2 ARG 3 HG2 ARG 3 50.538 12.181 10.200
29 HG3 ARG 3 HG1 ARG 3 50.162 11.284 11.692
30 HD2 ARG 3 HD2 ARG 3 49.669 9.259 10.248
31 HD3 ARG 3 HD1 ARG 3 50.297 10.174 8.857
32 HE ARG 3 HE ARG 3 51.910 8.873 10.850
33 HH11 ARG 3 HH11 ARG 3 53.223 10.953 11.846
34 HH12 ARG 3 HH12 ARG 3 54.212 11.647 10.606
35 HH21 ARG 3 HH21 ARG 3 52.489 10.121 8.012
36 HH22 ARG 3 HH22 ARG 3 53.796 11.177 8.434
37 H ARG 4 HN ARG 4 46.823 14.526 9.729
38 HA ARG 4 HA ARG 4 49.159 16.396 9.474
39 HB2 ARG 4 HB2 ARG 4 47.269 15.471 7.270
40 HB3 ARG 4 HB1 ARG 4 48.457 16.786 7.116
41 HG2 ARG 4 HG2 ARG 4 50.301 15.255 7.514
42 HG3 ARG 4 HG1 ARG 4 49.176 13.931 7.900
43 HD2 ARG 4 HD2 ARG 4 50.047 13.743 5.577
44 HD3 ARG 4 HD1 ARG 4 48.285 13.993 5.601
45 HE ARG 4 HE ARG 4 48.630 16.088 4.558
46 HH11 ARG 4 HH11 ARG 4 49.964 17.593 3.518
47 HH12 ARG 4 HH12 ARG 4 51.655 17.630 3.889
48 HH21 ARG 4 HH21 ARG 4 51.502 14.951 6.086
49 HH22 ARG 4 HH22 ARG 4 52.527 16.133 5.343
50 H ILE 5 HN ILE 5 45.966 15.854 10.475
51 HA ILE 5 HA ILE 5 44.275 17.317 11.073
52 HB ILE 5 HB ILE 5 46.264 19.599 10.727
53 HG12 ILE 5 HG12 ILE 5 45.930 17.668 13.071
54 HG13 ILE 5 HG11 ILE 5 47.354 17.790 12.009
55 HG21 ILE 5 HG21 ILE 5 44.926 20.709 12.374
56 HG22 ILE 5 HG22 ILE 5 44.069 19.207 12.802
57 HG23 ILE 5 HG23 ILE 5 43.767 19.991 11.233
58 HD11 ILE 5 HD1 ILE 5 47.947 19.070 13.920
59 HD12 ILE 5 HD2 ILE 5 46.330 19.801 14.043
60 HD13 ILE 5 HD3 ILE 5 47.434 20.292 12.733
61 H GLY 6 HN GLY 6 43.044 16.936 9.214
62 HA2 GLY 6 HA1 GLY 6 42.268 19.210 7.749
63 HA3 GLY 6 HA2 GLY 6 43.462 18.358 6.749
64 H LYS 7 HN LYS 7 42.818 15.706 7.630
65 HA LYS 7 HA LYS 7 41.412 13.977 7.007
66 HB2 LYS 7 HB2 LYS 7 39.945 15.181 8.708
67 HB3 LYS 7 HB1 LYS 7 39.129 15.958 7.331
68 HG2 LYS 7 HG2 LYS 7 38.516 13.763 6.412
69 HG3 LYS 7 HG1 LYS 7 39.396 12.946 7.727
70 HD2 LYS 7 HD2 LYS 7 37.890 14.090 9.381
71 HD3 LYS 7 HD1 LYS 7 36.959 14.755 8.017
72 HE2 LYS 7 HE2 LYS 7 36.600 12.386 7.205
73 HE3 LYS 7 HE1 LYS 7 37.355 11.814 8.712
74 HZ1 LYS 7 HZ1 LYS 7 35.058 13.693 8.706
75 HZ2 LYS 7 HZ2 LYS 7 35.650 12.754 9.994
76 HZ3 LYS 7 HZ3 LYS 7 34.846 12.010 8.695
77 H GLY 8 HN GLY 8 40.239 13.085 5.258
78 HA2 GLY 8 HA1 GLY 8 39.484 12.988 3.068
79 HA3 GLY 8 HA2 GLY 8 39.212 14.740 3.125
80 H VAL 9 HN VAL 9 40.047 13.700 0.789
81 HA VAL 9 HA VAL 9 42.957 13.677 0.585
82 HB VAL 9 HB VAL 9 41.083 14.169 -1.764
83 HG11 VAL 9 HG11 VAL 9 43.502 14.107 -2.227
84 HG12 VAL 9 HG12 VAL 9 42.727 12.652 -2.890
85 HG13 VAL 9 HG13 VAL 9 43.650 12.556 -1.371
86 HG21 VAL 9 HG21 VAL 9 39.968 12.419 -0.516
87 HG22 VAL 9 HG22 VAL 9 41.508 11.579 -0.216
88 HG23 VAL 9 HG23 VAL 9 40.837 11.646 -1.862
89 H LYS 10 HN LYS 10 41.122 16.088 1.537
90 HA LYS 10 HA LYS 10 41.390 18.383 1.588
91 HB2 LYS 10 HB2 LYS 10 43.893 18.045 -0.101
92 HB3 LYS 10 HB1 LYS 10 43.477 19.384 0.987
93 HG2 LYS 10 HG2 LYS 10 43.721 18.004 2.943
94 HG3 LYS 10 HG1 LYS 10 43.825 16.520 1.968
95 HD2 LYS 10 HD2 LYS 10 45.921 17.347 0.937
96 HD3 LYS 10 HD1 LYS 10 45.834 18.809 1.948
97 HE2 LYS 10 HE2 LYS 10 47.323 17.284 3.074
98 HE3 LYS 10 HE1 LYS 10 45.791 17.263 3.980
99 HZ1 LYS 10 HZ1 LYS 10 45.198 15.217 3.057
100 HZ2 LYS 10 HZ2 LYS 10 46.852 15.037 3.403
101 HZ3 LYS 10 HZ3 LYS 10 46.342 15.324 1.808
102 H ILE 11 HN ILE 11 41.179 16.638 -1.346
103 HA ILE 11 HA ILE 11 40.206 19.117 -2.766
104 HB ILE 11 HB ILE 11 41.556 16.757 -4.129
105 HG12 ILE 11 HG12 ILE 11 42.757 19.392 -3.160
106 HG13 ILE 11 HG11 ILE 11 43.203 17.756 -2.622
107 HG21 ILE 11 HG21 ILE 11 41.206 19.634 -5.075
108 HG22 ILE 11 HG22 ILE 11 39.987 18.376 -5.382
109 HG23 ILE 11 HG23 ILE 11 41.627 18.203 -6.045
110 HD11 ILE 11 HD1 ILE 11 43.754 17.295 -5.126
111 HD12 ILE 11 HD2 ILE 11 44.880 18.320 -4.207
112 HD13 ILE 11 HD3 ILE 11 43.705 19.064 -5.316
113 H ILE 12 HN ILE 12 40.095 15.545 -2.527
114 HA ILE 12 HA ILE 12 37.477 15.534 -3.965
115 HB ILE 12 HB ILE 12 39.175 13.260 -2.871
116 HG12 ILE 12 HG12 ILE 12 38.874 14.250 -5.747
117 HG13 ILE 12 HG11 ILE 12 40.249 14.648 -4.695
118 HG21 ILE 12 HG21 ILE 12 36.730 13.345 -4.703
119 HG22 ILE 12 HG22 ILE 12 36.858 12.553 -3.116
120 HG23 ILE 12 HG23 ILE 12 37.749 11.902 -4.504
121 HD11 ILE 12 HD1 ILE 12 40.370 11.969 -4.425
122 HD12 ILE 12 HD2 ILE 12 41.123 12.790 -5.810
123 HD13 ILE 12 HD3 ILE 12 39.536 12.014 -5.997
124 H GLY 13 HN GLY 13 38.247 13.166 -1.464
125 HA2 GLY 13 HA1 GLY 13 35.759 13.535 -0.106
126 HA3 GLY 13 HA2 GLY 13 37.199 12.725 0.557
127 H GLY 14 HN GLY 14 38.406 15.414 -0.484
128 HA2 GLY 14 HA1 GLY 14 38.416 16.749 2.150
129 HA3 GLY 14 HA2 GLY 14 39.391 17.169 0.723
130 H ALA 15 HN ALA 15 37.506 17.464 -1.282
131 HA ALA 15 HA ALA 15 36.214 19.999 -0.371
132 HB1 ALA 15 HB1 ALA 15 35.686 20.343 -2.695
133 HB2 ALA 15 HB2 ALA 15 36.071 18.654 -3.092
134 HB3 ALA 15 HB3 ALA 15 37.368 19.774 -2.606
135 H ALA 16 HN ALA 16 35.459 17.351 0.679
136 HA ALA 16 HA ALA 16 33.472 16.442 1.425
137 HB1 ALA 16 HB1 ALA 16 31.423 17.531 1.142
138 HB2 ALA 16 HB2 ALA 16 31.818 18.084 -0.503
139 HB3 ALA 16 HB3 ALA 16 32.575 18.866 0.905
140 H LEU 17 HN LEU 17 35.104 15.318 -0.623
141 HA LEU 17 HA LEU 17 34.969 13.723 -2.321
142 HB2 LEU 17 HB2 LEU 17 33.351 12.912 -0.286
143 HB3 LEU 17 HB1 LEU 17 32.143 12.982 -1.586
144 HG LEU 17 HG LEU 17 34.788 11.451 -1.728
145 HD11 LEU 17 HD11 LEU 17 31.930 10.447 -1.378
146 HD12 LEU 17 HD12 LEU 17 33.161 10.500 -0.095
147 HD13 LEU 17 HD13 LEU 17 33.391 9.441 -1.508
148 HD21 LEU 17 HD21 LEU 17 33.717 10.437 -3.754
149 HD22 LEU 17 HD22 LEU 17 33.997 12.184 -3.937
150 HD23 LEU 17 HD23 LEU 17 32.361 11.575 -3.578
151 H ASP 18 HN ASP 18 34.282 16.357 -3.086
152 HA ASP 18 HA ASP 18 33.270 17.508 -4.824
153 HB2 ASP 18 HB2 ASP 18 34.404 15.796 -6.172
154 HB3 ASP 18 HB1 ASP 18 33.017 14.699 -5.976
155 H HIS 19 HN HIS 19 31.328 14.565 -5.320
156 HA HIS 19 HA HIS 19 28.868 15.909 -5.556
157 HB2 HIS 19 HB2 HIS 19 29.230 13.123 -4.392
158 HB3 HIS 19 HB1 HIS 19 27.822 13.755 -5.280
159 HD1 HIS 19 HD1 HIS 19 30.753 11.741 -5.790
160 HD2 HIS 19 HD2 HIS 19 28.825 14.720 -8.049
161 HE1 HIS 19 HE1 HIS 19 31.504 11.463 -8.217
162 H LEU 20 HN LEU 20 29.851 13.953 -2.697
163 HA LEU 20 HA LEU 20 29.166 16.012 -0.810
164 HB2 LEU 20 HB2 LEU 20 26.868 15.665 -1.455
165 HB3 LEU 20 HB1 LEU 20 27.052 13.899 -1.384
166 HG LEU 20 HG LEU 20 27.271 13.940 1.029
167 HD11 LEU 20 HD11 LEU 20 28.609 15.865 1.473
168 HD12 LEU 20 HD12 LEU 20 27.035 16.239 2.210
169 HD13 LEU 20 HD13 LEU 20 27.473 16.952 0.639
170 HD21 LEU 20 HD21 LEU 20 24.968 14.169 0.001
171 HD22 LEU 20 HD22 LEU 20 25.082 15.923 0.276
172 HD23 LEU 20 HD23 LEU 20 25.090 14.803 1.659
Start of MODEL 22
1 H1 TRP 1 HT1 TRP 1 33.887 5.773 12.938
2 H2 TRP 1 HT2 TRP 1 35.321 5.179 12.245
3 H3 TRP 1 HT3 TRP 1 34.197 6.024 11.290
4 HA TRP 1 HA TRP 1 34.802 8.026 12.030
5 HB2 TRP 1 HB2 TRP 1 35.826 6.724 14.584
6 HB3 TRP 1 HB1 TRP 1 35.634 8.465 14.270
7 HD1 TRP 1 HD1 TRP 1 33.190 9.460 14.268
8 HE1 TRP 1 HE1 TRP 1 30.907 8.592 15.162
9 HE3 TRP 1 HE3 TRP 1 34.409 4.533 14.941
10 HZ2 TRP 1 HZ2 TRP 1 29.793 6.085 16.042
11 HZ3 TRP 1 HZ3 TRP 1 32.721 2.921 15.808
12 HH2 TRP 1 HH2 TRP 1 30.416 3.693 16.359
13 H LEU 2 HN LEU 2 37.030 9.076 12.738
14 HA LEU 2 HA LEU 2 39.387 7.462 12.320
15 HB2 LEU 2 HB2 LEU 2 38.656 7.386 10.007
16 HB3 LEU 2 HB1 LEU 2 38.373 9.140 9.993
17 HG LEU 2 HG LEU 2 40.761 9.590 10.207
18 HD11 LEU 2 HD11 LEU 2 42.343 7.520 10.103
19 HD12 LEU 2 HD12 LEU 2 40.935 6.589 10.668
20 HD13 LEU 2 HD13 LEU 2 41.592 7.908 11.666
21 HD21 LEU 2 HD21 LEU 2 39.821 9.044 7.947
22 HD22 LEU 2 HD22 LEU 2 40.325 7.353 8.181
23 HD23 LEU 2 HD23 LEU 2 41.548 8.643 8.094
24 H ARG 3 HN ARG 3 38.803 10.671 10.957
25 HA ARG 3 HA ARG 3 39.879 12.036 13.353
26 HB2 ARG 3 HB2 ARG 3 41.347 11.968 10.682
27 HB3 ARG 3 HB1 ARG 3 41.640 13.197 11.935
28 HG2 ARG 3 HG2 ARG 3 42.100 11.282 13.557
29 HG3 ARG 3 HG1 ARG 3 42.057 10.186 12.155
30 HD2 ARG 3 HD2 ARG 3 44.379 10.882 12.677
31 HD3 ARG 3 HD1 ARG 3 43.871 11.478 11.079
32 HE ARG 3 HE ARG 3 43.327 13.447 13.127
33 HH11 ARG 3 HH11 ARG 3 46.206 12.532 13.586
34 HH12 ARG 3 HH12 ARG 3 47.073 13.662 12.602
35 HH21 ARG 3 HH21 ARG 3 44.268 14.681 10.836
36 HH22 ARG 3 HH22 ARG 3 45.976 14.880 11.046
37 H ARG 4 HN ARG 4 38.453 11.886 10.196
38 HA ARG 4 HA ARG 4 37.226 14.600 10.621
39 HB2 ARG 4 HB2 ARG 4 38.178 13.471 7.955
40 HB3 ARG 4 HB1 ARG 4 37.415 15.053 8.227
41 HG2 ARG 4 HG2 ARG 4 40.031 14.202 9.546
42 HG3 ARG 4 HG1 ARG 4 39.959 15.093 8.011
43 HD2 ARG 4 HD2 ARG 4 38.489 16.815 9.306
44 HD3 ARG 4 HD1 ARG 4 39.099 16.014 10.773
45 HE ARG 4 HE ARG 4 41.324 16.633 9.099
46 HH11 ARG 4 HH11 ARG 4 38.740 18.583 10.085
47 HH12 ARG 4 HH12 ARG 4 39.726 19.780 10.857
48 HH21 ARG 4 HH21 ARG 4 42.667 17.983 10.483
49 HH22 ARG 4 HH22 ARG 4 41.948 19.441 11.081
50 H ILE 5 HN ILE 5 36.846 11.325 10.416
51 HA ILE 5 HA ILE 5 35.003 9.972 10.054
52 HB ILE 5 HB ILE 5 33.305 12.499 9.918
53 HG12 ILE 5 HG12 ILE 5 34.379 11.012 12.360
54 HG13 ILE 5 HG11 ILE 5 34.791 12.674 11.875
55 HG21 ILE 5 HG21 ILE 5 32.356 10.156 9.416
56 HG22 ILE 5 HG22 ILE 5 31.541 11.079 10.698
57 HG23 ILE 5 HG23 ILE 5 32.676 9.774 11.124
58 HD11 ILE 5 HD1 ILE 5 32.145 11.608 12.919
59 HD12 ILE 5 HD2 ILE 5 32.229 13.137 12.009
60 HD13 ILE 5 HD3 ILE 5 33.122 12.959 13.539
61 H GLY 6 HN GLY 6 34.561 8.911 8.248
62 HA2 GLY 6 HA1 GLY 6 33.882 8.533 6.060
63 HA3 GLY 6 HA2 GLY 6 33.357 10.225 5.955
64 H LYS 7 HN LYS 7 36.620 9.241 6.875
65 HA LYS 7 HA LYS 7 38.656 9.711 5.871
66 HB2 LYS 7 HB2 LYS 7 37.210 9.289 3.231
67 HB3 LYS 7 HB1 LYS 7 38.929 9.008 3.597
68 HG2 LYS 7 HG2 LYS 7 38.241 7.252 5.256
69 HG3 LYS 7 HG1 LYS 7 36.553 7.476 4.738
70 HD2 LYS 7 HD2 LYS 7 37.201 6.887 2.409
71 HD3 LYS 7 HD1 LYS 7 38.876 6.627 2.953
72 HE2 LYS 7 HE2 LYS 7 38.106 4.857 4.503
73 HE3 LYS 7 HE1 LYS 7 36.428 5.117 3.972
74 HZ1 LYS 7 HZ1 LYS 7 38.710 4.180 2.308
75 HZ2 LYS 7 HZ2 LYS 7 37.184 4.591 1.686
76 HZ3 LYS 7 HZ3 LYS 7 37.342 3.287 2.764
77 H GLY 8 HN GLY 8 39.743 11.077 4.029
78 HA2 GLY 8 HA1 GLY 8 38.480 13.260 2.817
79 HA3 GLY 8 HA2 GLY 8 38.862 13.797 4.465
80 H VAL 9 HN VAL 9 39.987 13.469 1.298
81 HA VAL 9 HA VAL 9 42.838 13.215 1.944
82 HB VAL 9 HB VAL 9 41.441 14.052 -0.638
83 HG11 VAL 9 HG11 VAL 9 43.706 14.873 -0.699
84 HG12 VAL 9 HG12 VAL 9 43.703 13.350 -1.618
85 HG13 VAL 9 HG13 VAL 9 44.335 13.385 0.045
86 HG21 VAL 9 HG21 VAL 9 42.608 11.399 0.319
87 HG22 VAL 9 HG22 VAL 9 42.002 11.714 -1.324
88 HG23 VAL 9 HG23 VAL 9 40.884 11.759 0.059
89 H LYS 10 HN LYS 10 41.455 15.781 -0.106
90 HA LYS 10 HA LYS 10 42.048 17.930 1.738
91 HB2 LYS 10 HB2 LYS 10 44.375 17.105 1.093
92 HB3 LYS 10 HB1 LYS 10 44.017 17.651 -0.562
93 HG2 LYS 10 HG2 LYS 10 43.430 19.935 0.487
94 HG3 LYS 10 HG1 LYS 10 44.194 19.329 1.973
95 HD2 LYS 10 HD2 LYS 10 45.519 19.538 -0.770
96 HD3 LYS 10 HD1 LYS 10 45.812 20.616 0.615
97 HE2 LYS 10 HE2 LYS 10 46.530 17.677 0.328
98 HE3 LYS 10 HE1 LYS 10 47.602 19.051 0.681
99 HZ1 LYS 10 HZ1 LYS 10 45.550 17.848 2.463
100 HZ2 LYS 10 HZ2 LYS 10 46.306 19.335 2.786
101 HZ3 LYS 10 HZ3 LYS 10 47.229 17.910 2.705
102 H ILE 11 HN ILE 11 41.397 16.682 -1.473
103 HA ILE 11 HA ILE 11 39.900 19.221 -2.100
104 HB ILE 11 HB ILE 11 41.442 17.615 -4.179
105 HG12 ILE 11 HG12 ILE 11 42.260 20.127 -2.647
106 HG13 ILE 11 HG11 ILE 11 43.068 18.543 -2.600
107 HG21 ILE 11 HG21 ILE 11 40.973 19.474 -5.623
108 HG22 ILE 11 HG22 ILE 11 40.435 20.490 -4.264
109 HG23 ILE 11 HG23 ILE 11 39.439 19.115 -4.798
110 HD11 ILE 11 HD1 ILE 11 44.380 19.810 -4.120
111 HD12 ILE 11 HD2 ILE 11 42.949 20.540 -4.885
112 HD13 ILE 11 HD3 ILE 11 43.340 18.826 -5.177
113 H ILE 12 HN ILE 12 40.449 15.773 -2.912
114 HA ILE 12 HA ILE 12 37.831 15.534 -4.207
115 HB ILE 12 HB ILE 12 39.774 13.441 -3.179
116 HG12 ILE 12 HG12 ILE 12 39.442 14.155 -6.120
117 HG13 ILE 12 HG11 ILE 12 40.453 15.194 -5.094
118 HG21 ILE 12 HG21 ILE 12 38.522 12.045 -5.026
119 HG22 ILE 12 HG22 ILE 12 37.267 13.296 -4.904
120 HG23 ILE 12 HG23 ILE 12 37.694 12.321 -3.480
121 HD11 ILE 12 HD1 ILE 12 40.846 12.179 -5.142
122 HD12 ILE 12 HD2 ILE 12 41.976 13.443 -4.606
123 HD13 ILE 12 HD3 ILE 12 41.623 13.244 -6.337
124 H GLY 13 HN GLY 13 38.881 13.172 -1.783
125 HA2 GLY 13 HA1 GLY 13 36.322 13.037 -0.511
126 HA3 GLY 13 HA2 GLY 13 37.860 12.461 0.172
127 H GLY 14 HN GLY 14 38.624 15.343 -0.729
128 HA2 GLY 14 HA1 GLY 14 38.371 16.548 1.951
129 HA3 GLY 14 HA2 GLY 14 39.235 17.215 0.547
130 H ALA 15 HN ALA 15 37.291 17.243 -1.430
131 HA ALA 15 HA ALA 15 35.534 19.422 -0.378
132 HB1 ALA 15 HB1 ALA 15 34.931 19.787 -2.702
133 HB2 ALA 15 HB2 ALA 15 35.752 18.289 -3.193
134 HB3 ALA 15 HB3 ALA 15 36.700 19.669 -2.581
135 H ALA 16 HN ALA 16 35.299 16.682 0.530
136 HA ALA 16 HA ALA 16 33.556 15.296 1.124
137 HB1 ALA 16 HB1 ALA 16 31.325 15.965 0.871
138 HB2 ALA 16 HB2 ALA 16 31.627 16.758 -0.692
139 HB3 ALA 16 HB3 ALA 16 32.191 17.518 0.814
140 H LEU 17 HN LEU 17 35.389 14.698 -0.974
141 HA LEU 17 HA LEU 17 35.585 13.166 -2.727
142 HB2 LEU 17 HB2 LEU 17 34.116 11.866 -1.008
143 HB3 LEU 17 HB1 LEU 17 32.766 12.224 -2.104
144 HG LEU 17 HG LEU 17 34.459 11.265 -3.968
145 HD11 LEU 17 HD11 LEU 17 35.978 9.598 -3.184
146 HD12 LEU 17 HD12 LEU 17 35.304 9.635 -1.536
147 HD13 LEU 17 HD13 LEU 17 36.267 11.003 -2.134
148 HD21 LEU 17 HD21 LEU 17 32.265 10.283 -3.476
149 HD22 LEU 17 HD22 LEU 17 32.899 9.537 -1.991
150 HD23 LEU 17 HD23 LEU 17 33.480 8.988 -3.582
151 H ASP 18 HN ASP 18 35.012 15.627 -3.593
152 HA ASP 18 HA ASP 18 34.261 16.740 -5.471
153 HB2 ASP 18 HB2 ASP 18 34.839 14.471 -6.552
154 HB3 ASP 18 HB1 ASP 18 33.094 14.128 -6.502
155 H HIS 19 HN HIS 19 31.721 14.206 -5.281
156 HA HIS 19 HA HIS 19 29.803 16.118 -4.119
157 HB2 HIS 19 HB2 HIS 19 29.876 16.702 -6.581
158 HB3 HIS 19 HB1 HIS 19 29.300 15.054 -6.926
159 HD1 HIS 19 HD1 HIS 19 27.750 15.818 -3.830
160 HD2 HIS 19 HD2 HIS 19 27.028 16.992 -7.803
161 HE1 HIS 19 HE1 HIS 19 25.354 16.701 -3.940
162 H LEU 20 HN LEU 20 30.887 13.606 -3.307
163 HA LEU 20 HA LEU 20 30.195 11.522 -2.562
164 HB2 LEU 20 HB2 LEU 20 28.499 13.108 -1.483
165 HB3 LEU 20 HB1 LEU 20 27.382 12.651 -2.786
166 HG LEU 20 HG LEU 20 27.969 10.162 -2.052
167 HD11 LEU 20 HD11 LEU 20 28.338 10.035 0.439
168 HD12 LEU 20 HD12 LEU 20 28.680 11.780 0.441
169 HD13 LEU 20 HD13 LEU 20 29.743 10.664 -0.448
170 HD21 LEU 20 HD21 LEU 20 25.731 11.159 -1.851
171 HD22 LEU 20 HD22 LEU 20 26.222 12.017 -0.371
172 HD23 LEU 20 HD23 LEU 20 26.118 10.240 -0.378
Start of MODEL 23
1 H1 TRP 1 HT1 TRP 1 42.145 1.464 9.831
2 H2 TRP 1 HT2 TRP 1 42.317 3.069 9.299
3 H3 TRP 1 HT3 TRP 1 42.876 1.786 8.337
4 HA TRP 1 HA TRP 1 40.835 2.672 7.480
5 HB2 TRP 1 HB2 TRP 1 40.414 -0.063 8.743
6 HB3 TRP 1 HB1 TRP 1 39.678 0.566 7.248
7 HD1 TRP 1 HD1 TRP 1 41.225 0.764 5.099
8 HE1 TRP 1 HE1 TRP 1 43.482 -0.340 4.432
9 HE3 TRP 1 HE3 TRP 1 42.683 -0.933 9.704
10 HZ2 TRP 1 HZ2 TRP 1 45.613 -1.762 5.748
11 HZ3 TRP 1 HZ3 TRP 1 44.832 -2.160 9.975
12 HH2 TRP 1 HH2 TRP 1 46.298 -2.576 8.003
13 H LEU 2 HN LEU 2 40.139 4.404 8.887
14 HA LEU 2 HA LEU 2 38.568 3.794 11.260
15 HB2 LEU 2 HB2 LEU 2 39.004 6.284 9.580
16 HB3 LEU 2 HB1 LEU 2 37.877 6.276 10.948
17 HG LEU 2 HG LEU 2 40.260 7.105 11.425
18 HD11 LEU 2 HD11 LEU 2 40.277 6.244 13.632
19 HD12 LEU 2 HD12 LEU 2 39.540 4.704 13.150
20 HD13 LEU 2 HD13 LEU 2 38.567 6.192 13.160
21 HD21 LEU 2 HD21 LEU 2 42.038 5.499 11.673
22 HD22 LEU 2 HD22 LEU 2 41.350 5.268 10.051
23 HD23 LEU 2 HD23 LEU 2 40.944 4.134 11.360
24 H ARG 3 HN ARG 3 37.277 5.922 8.785
25 HA ARG 3 HA ARG 3 35.010 4.011 8.274
26 HB2 ARG 3 HB2 ARG 3 34.629 6.978 8.829
27 HB3 ARG 3 HB1 ARG 3 33.376 5.727 8.647
28 HG2 ARG 3 HG2 ARG 3 34.236 4.588 10.686
29 HG3 ARG 3 HG1 ARG 3 35.447 5.879 10.880
30 HD2 ARG 3 HD2 ARG 3 33.687 7.556 11.138
31 HD3 ARG 3 HD1 ARG 3 32.433 6.337 10.803
32 HE ARG 3 HE ARG 3 34.099 5.567 13.056
33 HH11 ARG 3 HH11 ARG 3 30.974 5.760 12.338
34 HH12 ARG 3 HH12 ARG 3 30.450 6.632 13.741
35 HH21 ARG 3 HH21 ARG 3 33.660 7.480 14.739
36 HH22 ARG 3 HH22 ARG 3 31.971 7.606 15.099
37 H ARG 4 HN ARG 4 37.378 6.197 7.213
38 HA ARG 4 HA ARG 4 36.351 6.004 4.424
39 HB2 ARG 4 HB2 ARG 4 37.109 8.665 5.701
40 HB3 ARG 4 HB1 ARG 4 36.623 8.396 4.009
41 HG2 ARG 4 HG2 ARG 4 34.429 7.448 4.914
42 HG3 ARG 4 HG1 ARG 4 34.921 8.060 6.511
43 HD2 ARG 4 HD2 ARG 4 35.207 10.346 5.448
44 HD3 ARG 4 HD1 ARG 4 34.467 9.681 3.973
45 HE ARG 4 HE ARG 4 32.744 9.105 6.175
46 HH11 ARG 4 HH11 ARG 4 33.557 11.925 6.859
47 HH12 ARG 4 HH12 ARG 4 32.369 12.853 6.006
48 HH21 ARG 4 HH21 ARG 4 31.383 10.217 3.979
49 HH22 ARG 4 HH22 ARG 4 31.137 11.885 4.375
50 H ILE 5 HN ILE 5 38.691 5.381 6.519
51 HA ILE 5 HA ILE 5 40.970 5.015 6.327
52 HB ILE 5 HB ILE 5 40.677 5.500 3.333
53 HG12 ILE 5 HG12 ILE 5 40.062 2.983 4.950
54 HG13 ILE 5 HG11 ILE 5 38.875 3.977 4.074
55 HG21 ILE 5 HG21 ILE 5 42.427 3.511 4.836
56 HG22 ILE 5 HG22 ILE 5 42.966 5.167 4.470
57 HG23 ILE 5 HG23 ILE 5 42.573 4.048 3.145
58 HD11 ILE 5 HD1 ILE 5 39.342 2.189 2.582
59 HD12 ILE 5 HD2 ILE 5 41.083 2.227 2.940
60 HD13 ILE 5 HD3 ILE 5 40.346 3.526 1.971
61 H GLY 6 HN GLY 6 41.980 6.653 7.337
62 HA2 GLY 6 HA1 GLY 6 43.081 8.668 7.620
63 HA3 GLY 6 HA2 GLY 6 43.518 8.516 5.907
64 H LYS 7 HN LYS 7 40.312 8.936 7.416
65 HA LYS 7 HA LYS 7 38.613 10.400 6.751
66 HB2 LYS 7 HB2 LYS 7 39.113 12.733 7.419
67 HB3 LYS 7 HB1 LYS 7 39.696 11.555 8.611
68 HG2 LYS 7 HG2 LYS 7 41.976 11.795 7.875
69 HG3 LYS 7 HG1 LYS 7 41.486 12.718 6.434
70 HD2 LYS 7 HD2 LYS 7 40.662 14.548 7.863
71 HD3 LYS 7 HD1 LYS 7 41.098 13.622 9.319
72 HE2 LYS 7 HE2 LYS 7 42.875 15.230 8.848
73 HE3 LYS 7 HE1 LYS 7 43.483 13.589 8.523
74 HZ1 LYS 7 HZ1 LYS 7 44.015 14.367 6.522
75 HZ2 LYS 7 HZ2 LYS 7 43.104 15.787 6.720
76 HZ3 LYS 7 HZ3 LYS 7 42.358 14.367 6.162
77 H GLY 8 HN GLY 8 38.751 13.048 5.707
78 HA2 GLY 8 HA1 GLY 8 38.710 12.444 2.910
79 HA3 GLY 8 HA2 GLY 8 38.624 14.060 3.637
80 H VAL 9 HN VAL 9 39.993 13.221 1.201
81 HA VAL 9 HA VAL 9 42.847 13.124 1.796
82 HB VAL 9 HB VAL 9 41.373 13.757 -0.803
83 HG11 VAL 9 HG11 VAL 9 44.301 13.222 -0.150
84 HG12 VAL 9 HG12 VAL 9 43.609 14.640 -0.972
85 HG13 VAL 9 HG13 VAL 9 43.633 13.060 -1.792
86 HG21 VAL 9 HG21 VAL 9 40.930 11.492 0.112
87 HG22 VAL 9 HG22 VAL 9 42.682 11.205 0.242
88 HG23 VAL 9 HG23 VAL 9 41.930 11.409 -1.358
89 H LYS 10 HN LYS 10 41.481 15.513 -0.447
90 HA LYS 10 HA LYS 10 41.934 17.798 1.261
91 HB2 LYS 10 HB2 LYS 10 44.312 17.026 0.842
92 HB3 LYS 10 HB1 LYS 10 44.046 17.367 -0.884
93 HG2 LYS 10 HG2 LYS 10 43.501 19.719 -0.346
94 HG3 LYS 10 HG1 LYS 10 43.748 19.384 1.385
95 HD2 LYS 10 HD2 LYS 10 46.091 18.859 1.013
96 HD3 LYS 10 HD1 LYS 10 45.881 18.971 -0.752
97 HE2 LYS 10 HE2 LYS 10 46.902 21.032 0.346
98 HE3 LYS 10 HE1 LYS 10 45.450 21.341 -0.636
99 HZ1 LYS 10 HZ1 LYS 10 45.293 22.479 1.472
100 HZ2 LYS 10 HZ2 LYS 10 45.547 21.033 2.326
101 HZ3 LYS 10 HZ3 LYS 10 44.130 21.245 1.413
102 H ILE 11 HN ILE 11 41.407 16.290 -1.839
103 HA ILE 11 HA ILE 11 40.214 18.864 -2.887
104 HB ILE 11 HB ILE 11 41.209 16.534 -4.575
105 HG12 ILE 11 HG12 ILE 11 43.092 18.465 -5.045
106 HG13 ILE 11 HG11 ILE 11 42.731 18.854 -3.349
107 HG21 ILE 11 HG21 ILE 11 39.545 18.050 -5.593
108 HG22 ILE 11 HG22 ILE 11 41.133 18.252 -6.369
109 HG23 ILE 11 HG23 ILE 11 40.561 19.454 -5.189
110 HD11 ILE 11 HD1 ILE 11 44.501 17.283 -3.213
111 HD12 ILE 11 HD2 ILE 11 43.833 16.277 -4.520
112 HD13 ILE 11 HD3 ILE 11 43.054 16.291 -2.923
113 H ILE 12 HN ILE 12 40.013 15.285 -2.982
114 HA ILE 12 HA ILE 12 37.187 15.455 -3.902
115 HB ILE 12 HB ILE 12 38.960 13.068 -3.267
116 HG12 ILE 12 HG12 ILE 12 39.975 14.336 -5.067
117 HG13 ILE 12 HG11 ILE 12 39.222 12.893 -5.773
118 HG21 ILE 12 HG21 ILE 12 36.151 13.362 -4.358
119 HG22 ILE 12 HG22 ILE 12 36.829 12.119 -3.284
120 HG23 ILE 12 HG23 ILE 12 37.164 12.058 -5.026
121 HD11 ILE 12 HD1 ILE 12 38.541 14.610 -7.243
122 HD12 ILE 12 HD2 ILE 12 38.320 15.785 -5.929
123 HD13 ILE 12 HD3 ILE 12 37.144 14.470 -6.154
124 H GLY 13 HN GLY 13 38.144 12.802 -1.817
125 HA2 GLY 13 HA1 GLY 13 35.971 13.072 -0.035
126 HA3 GLY 13 HA2 GLY 13 37.505 12.260 0.347
127 H GLY 14 HN GLY 14 38.636 14.969 -0.582
128 HA2 GLY 14 HA1 GLY 14 38.941 16.112 2.109
129 HA3 GLY 14 HA2 GLY 14 39.714 16.669 0.609
130 H ALA 15 HN ALA 15 37.654 17.170 -1.115
131 HA ALA 15 HA ALA 15 36.412 19.539 0.226
132 HB1 ALA 15 HB1 ALA 15 36.001 18.591 -2.630
133 HB2 ALA 15 HB2 ALA 15 37.392 19.586 -2.130
134 HB3 ALA 15 HB3 ALA 15 35.738 20.216 -1.959
135 H ALA 16 HN ALA 16 35.799 16.763 0.977
136 HA ALA 16 HA ALA 16 33.906 15.683 1.735
137 HB1 ALA 16 HB1 ALA 16 31.823 16.746 1.801
138 HB2 ALA 16 HB2 ALA 16 32.065 17.561 0.237
139 HB3 ALA 16 HB3 ALA 16 32.933 18.130 1.682
140 H LEU 17 HN LEU 17 35.336 14.804 -0.474
141 HA LEU 17 HA LEU 17 35.074 13.264 -2.196
142 HB2 LEU 17 HB2 LEU 17 33.126 12.530 -0.551
143 HB3 LEU 17 HB1 LEU 17 32.070 13.208 -1.808
144 HG LEU 17 HG LEU 17 33.570 11.720 -3.450
145 HD11 LEU 17 HD11 LEU 17 33.873 10.296 -0.764
146 HD12 LEU 17 HD12 LEU 17 35.192 10.972 -1.747
147 HD13 LEU 17 HD13 LEU 17 34.255 9.586 -2.348
148 HD21 LEU 17 HD21 LEU 17 31.470 10.537 -1.574
149 HD22 LEU 17 HD22 LEU 17 31.978 9.830 -3.126
150 HD23 LEU 17 HD23 LEU 17 31.149 11.404 -3.094
151 H ASP 18 HN ASP 18 34.260 16.316 -2.282
152 HA ASP 18 HA ASP 18 33.704 17.815 -3.951
153 HB2 ASP 18 HB2 ASP 18 35.457 16.493 -5.175
154 HB3 ASP 18 HB1 ASP 18 34.158 15.489 -5.861
155 H HIS 19 HN HIS 19 32.470 14.879 -5.591
156 HA HIS 19 HA HIS 19 29.904 16.208 -6.066
157 HB2 HIS 19 HB2 HIS 19 30.943 14.667 -7.712
158 HB3 HIS 19 HB1 HIS 19 30.759 13.327 -6.557
159 HD1 HIS 19 HD1 HIS 19 28.213 16.097 -7.265
160 HD2 HIS 19 HD2 HIS 19 28.627 11.933 -7.671
161 HE1 HIS 19 HE1 HIS 19 25.974 15.185 -8.090
162 H LEU 20 HN LEU 20 31.014 15.260 -3.259
163 HA LEU 20 HA LEU 20 30.080 14.402 -1.313
164 HB2 LEU 20 HB2 LEU 20 27.646 15.374 -2.843
165 HB3 LEU 20 HB1 LEU 20 27.469 14.608 -1.248
166 HG LEU 20 HG LEU 20 29.002 16.280 -0.263
167 HD11 LEU 20 HD11 LEU 20 29.132 17.263 -3.141
168 HD12 LEU 20 HD12 LEU 20 30.479 16.832 -2.058
169 HD13 LEU 20 HD13 LEU 20 29.541 18.313 -1.763
170 HD21 LEU 20 HD21 LEU 20 26.756 17.497 -1.937
171 HD22 LEU 20 HD22 LEU 20 27.512 18.258 -0.516
172 HD23 LEU 20 HD23 LEU 20 26.576 16.756 -0.329
Start of MODEL 24
1 H1 TRP 1 HT1 TRP 1 34.480 15.267 17.591
2 H2 TRP 1 HT2 TRP 1 33.202 16.262 18.105
3 H3 TRP 1 HT3 TRP 1 34.712 16.343 18.880
4 HA TRP 1 HA TRP 1 33.813 17.888 16.814
5 HB2 TRP 1 HB2 TRP 1 36.616 17.424 17.909
6 HB3 TRP 1 HB1 TRP 1 36.112 18.822 16.930
7 HD1 TRP 1 HD1 TRP 1 33.964 20.250 18.020
8 HE1 TRP 1 HE1 TRP 1 33.539 20.911 20.499
9 HE3 TRP 1 HE3 TRP 1 36.985 16.806 20.303
10 HZ2 TRP 1 HZ2 TRP 1 34.410 20.037 23.102
11 HZ3 TRP 1 HZ3 TRP 1 37.172 16.738 22.785
12 HH2 TRP 1 HH2 TRP 1 35.889 18.349 24.185
13 H LEU 2 HN LEU 2 33.402 15.575 15.572
14 HA LEU 2 HA LEU 2 33.785 14.491 13.567
15 HB2 LEU 2 HB2 LEU 2 35.939 16.539 12.966
16 HB3 LEU 2 HB1 LEU 2 34.946 15.614 11.819
17 HG LEU 2 HG LEU 2 34.009 17.831 13.694
18 HD11 LEU 2 HD11 LEU 2 34.037 17.525 10.659
19 HD12 LEU 2 HD12 LEU 2 35.100 18.583 11.616
20 HD13 LEU 2 HD13 LEU 2 33.353 18.906 11.547
21 HD21 LEU 2 HD21 LEU 2 32.221 16.243 13.727
22 HD22 LEU 2 HD22 LEU 2 32.453 15.822 12.012
23 HD23 LEU 2 HD23 LEU 2 31.765 17.402 12.458
24 H ARG 3 HN ARG 3 36.145 14.856 15.935
25 HA ARG 3 HA ARG 3 37.924 13.532 16.565
26 HB2 ARG 3 HB2 ARG 3 37.101 11.592 14.385
27 HB3 ARG 3 HB1 ARG 3 37.975 11.244 15.895
28 HG2 ARG 3 HG2 ARG 3 35.946 12.051 17.171
29 HG3 ARG 3 HG1 ARG 3 35.078 12.153 15.620
30 HD2 ARG 3 HD2 ARG 3 34.641 9.994 16.776
31 HD3 ARG 3 HD1 ARG 3 35.473 9.752 15.220
32 HE ARG 3 HE ARG 3 37.485 9.943 17.199
33 HH11 ARG 3 HH11 ARG 3 38.547 7.828 17.010
34 HH12 ARG 3 HH12 ARG 3 37.578 6.448 17.408
35 HH21 ARG 3 HH21 ARG 3 34.598 8.223 17.448
36 HH22 ARG 3 HH22 ARG 3 35.342 6.672 17.656
37 H ARG 4 HN ARG 4 37.648 14.671 13.331
38 HA ARG 4 HA ARG 4 40.581 14.815 13.145
39 HB2 ARG 4 HB2 ARG 4 39.772 12.494 12.226
40 HB3 ARG 4 HB1 ARG 4 39.162 13.428 10.843
41 HG2 ARG 4 HG2 ARG 4 41.432 14.357 10.466
42 HG3 ARG 4 HG1 ARG 4 42.041 13.443 11.866
43 HD2 ARG 4 HD2 ARG 4 40.723 12.172 9.430
44 HD3 ARG 4 HD1 ARG 4 42.482 12.309 9.660
45 HE ARG 4 HE ARG 4 40.735 10.391 10.979
46 HH11 ARG 4 HH11 ARG 4 43.882 11.479 10.517
47 HH12 ARG 4 HH12 ARG 4 44.513 10.817 11.988
48 HH21 ARG 4 HH21 ARG 4 41.406 9.889 13.215
49 HH22 ARG 4 HH22 ARG 4 43.111 9.917 13.515
50 H ILE 5 HN ILE 5 38.281 16.629 13.328
51 HA ILE 5 HA ILE 5 37.377 18.481 12.237
52 HB ILE 5 HB ILE 5 40.117 18.637 10.920
53 HG12 ILE 5 HG12 ILE 5 40.624 18.222 13.214
54 HG13 ILE 5 HG11 ILE 5 40.725 19.983 13.037
55 HG21 ILE 5 HG21 ILE 5 39.646 21.150 11.354
56 HG22 ILE 5 HG22 ILE 5 37.962 20.659 11.643
57 HG23 ILE 5 HG23 ILE 5 38.719 20.350 10.068
58 HD11 ILE 5 HD1 ILE 5 39.503 19.605 15.056
59 HD12 ILE 5 HD2 ILE 5 38.499 18.343 14.307
60 HD13 ILE 5 HD3 ILE 5 38.274 20.048 13.853
61 H GLY 6 HN GLY 6 36.065 16.813 10.968
62 HA2 GLY 6 HA1 GLY 6 35.088 16.255 8.948
63 HA3 GLY 6 HA2 GLY 6 35.886 17.685 8.265
64 H LYS 7 HN LYS 7 36.372 14.260 9.132
65 HA LYS 7 HA LYS 7 38.880 13.837 7.945
66 HB2 LYS 7 HB2 LYS 7 38.024 11.477 7.525
67 HB3 LYS 7 HB1 LYS 7 37.839 12.070 9.194
68 HG2 LYS 7 HG2 LYS 7 35.490 12.681 8.731
69 HG3 LYS 7 HG1 LYS 7 35.667 12.113 7.053
70 HD2 LYS 7 HD2 LYS 7 36.160 9.834 7.855
71 HD3 LYS 7 HD1 LYS 7 36.037 10.389 9.543
72 HE2 LYS 7 HE2 LYS 7 33.692 10.898 9.291
73 HE3 LYS 7 HE1 LYS 7 33.768 10.663 7.529
74 HZ1 LYS 7 HZ1 LYS 7 34.220 8.562 9.591
75 HZ2 LYS 7 HZ2 LYS 7 34.321 8.333 7.912
76 HZ3 LYS 7 HZ3 LYS 7 32.833 8.730 8.631
77 H GLY 8 HN GLY 8 39.662 13.433 5.925
78 HA2 GLY 8 HA1 GLY 8 38.180 12.811 3.621
79 HA3 GLY 8 HA2 GLY 8 38.215 14.582 3.717
80 H VAL 9 HN VAL 9 39.336 13.430 1.545
81 HA VAL 9 HA VAL 9 42.133 12.798 1.894
82 HB VAL 9 HB VAL 9 40.666 13.805 -0.586
83 HG11 VAL 9 HG11 VAL 9 42.604 12.593 -1.731
84 HG12 VAL 9 HG12 VAL 9 43.396 12.529 -0.138
85 HG13 VAL 9 HG13 VAL 9 43.041 14.101 -0.894
86 HG21 VAL 9 HG21 VAL 9 39.755 11.695 0.405
87 HG22 VAL 9 HG22 VAL 9 41.383 10.980 0.322
88 HG23 VAL 9 HG23 VAL 9 40.527 11.424 -1.175
89 H LYS 10 HN LYS 10 41.108 15.493 -0.195
90 HA LYS 10 HA LYS 10 42.241 17.574 1.454
91 HB2 LYS 10 HB2 LYS 10 44.348 16.369 0.835
92 HB3 LYS 10 HB1 LYS 10 43.972 16.662 -0.879
93 HG2 LYS 10 HG2 LYS 10 44.029 19.083 -0.523
94 HG3 LYS 10 HG1 LYS 10 44.268 18.849 1.226
95 HD2 LYS 10 HD2 LYS 10 46.429 17.789 0.843
96 HD3 LYS 10 HD1 LYS 10 46.177 17.825 -0.919
97 HE2 LYS 10 HE2 LYS 10 46.027 20.346 -0.771
98 HE3 LYS 10 HE1 LYS 10 46.493 20.219 0.943
99 HZ1 LYS 10 HZ1 LYS 10 48.422 20.620 -0.436
100 HZ2 LYS 10 HZ2 LYS 10 48.078 19.256 -1.389
101 HZ3 LYS 10 HZ3 LYS 10 48.519 19.068 0.241
102 H ILE 11 HN ILE 11 41.116 16.293 -1.596
103 HA ILE 11 HA ILE 11 40.080 19.020 -2.314
104 HB ILE 11 HB ILE 11 41.290 17.128 -4.372
105 HG12 ILE 11 HG12 ILE 11 42.548 19.565 -3.025
106 HG13 ILE 11 HG11 ILE 11 43.071 17.877 -2.823
107 HG21 ILE 11 HG21 ILE 11 39.527 18.905 -4.992
108 HG22 ILE 11 HG22 ILE 11 41.067 18.985 -5.876
109 HG23 ILE 11 HG23 ILE 11 40.746 20.122 -4.543
110 HD11 ILE 11 HD1 ILE 11 43.260 19.633 -5.292
111 HD12 ILE 11 HD2 ILE 11 43.343 17.858 -5.415
112 HD13 ILE 11 HD3 ILE 11 44.555 18.744 -4.459
113 H ILE 12 HN ILE 12 40.076 15.503 -2.959
114 HA ILE 12 HA ILE 12 37.345 15.658 -4.094
115 HB ILE 12 HB ILE 12 39.108 13.276 -3.410
116 HG12 ILE 12 HG12 ILE 12 39.984 14.979 -5.178
117 HG13 ILE 12 HG11 ILE 12 39.946 13.264 -5.627
118 HG21 ILE 12 HG21 ILE 12 37.603 12.120 -5.138
119 HG22 ILE 12 HG22 ILE 12 36.537 13.540 -5.019
120 HG23 ILE 12 HG23 ILE 12 36.835 12.527 -3.589
121 HD11 ILE 12 HD1 ILE 12 37.971 13.559 -6.968
122 HD12 ILE 12 HD2 ILE 12 39.065 14.895 -7.388
123 HD13 ILE 12 HD3 ILE 12 37.681 15.186 -6.317
124 H GLY 13 HN GLY 13 38.314 13.011 -1.955
125 HA2 GLY 13 HA1 GLY 13 35.910 13.154 -0.411
126 HA3 GLY 13 HA2 GLY 13 37.406 12.311 0.061
127 H GLY 14 HN GLY 14 38.488 15.130 -0.744
128 HA2 GLY 14 HA1 GLY 14 38.695 16.154 2.009
129 HA3 GLY 14 HA2 GLY 14 39.507 16.788 0.560
130 H ALA 15 HN ALA 15 37.425 17.255 -1.201
131 HA ALA 15 HA ALA 15 36.122 19.575 0.173
132 HB1 ALA 15 HB1 ALA 15 35.392 20.230 -2.030
133 HB2 ALA 15 HB2 ALA 15 35.841 18.649 -2.709
134 HB3 ALA 15 HB3 ALA 15 37.105 19.770 -2.139
135 H ALA 16 HN ALA 16 35.559 16.808 0.907
136 HA ALA 16 HA ALA 16 33.683 15.662 1.611
137 HB1 ALA 16 HB1 ALA 16 31.830 17.517 0.100
138 HB2 ALA 16 HB2 ALA 16 32.653 18.081 1.574
139 HB3 ALA 16 HB3 ALA 16 31.571 16.669 1.643
140 H LEU 17 HN LEU 17 35.187 14.942 -0.686
141 HA LEU 17 HA LEU 17 34.984 13.555 -2.542
142 HB2 LEU 17 HB2 LEU 17 33.250 12.565 -0.646
143 HB3 LEU 17 HB1 LEU 17 32.128 12.809 -1.998
144 HG LEU 17 HG LEU 17 34.747 11.239 -2.149
145 HD11 LEU 17 HD11 LEU 17 31.857 10.265 -2.127
146 HD12 LEU 17 HD12 LEU 17 32.974 10.165 -0.744
147 HD13 LEU 17 HD13 LEU 17 33.316 9.252 -2.234
148 HD21 LEU 17 HD21 LEU 17 32.468 11.696 -4.125
149 HD22 LEU 17 HD22 LEU 17 33.740 10.470 -4.339
150 HD23 LEU 17 HD23 LEU 17 34.167 12.198 -4.312
151 H ASP 18 HN ASP 18 33.936 16.414 -2.491
152 HA ASP 18 HA ASP 18 32.945 17.876 -3.985
153 HB2 ASP 18 HB2 ASP 18 34.504 16.762 -5.560
154 HB3 ASP 18 HB1 ASP 18 33.246 15.563 -5.941
155 H HIS 19 HN HIS 19 31.621 14.892 -5.440
156 HA HIS 19 HA HIS 19 29.039 15.825 -5.875
157 HB2 HIS 19 HB2 HIS 19 29.634 12.997 -4.940
158 HB3 HIS 19 HB1 HIS 19 28.357 13.541 -6.056
159 HD1 HIS 19 HD1 HIS 19 31.078 15.555 -7.030
160 HD2 HIS 19 HD2 HIS 19 30.301 11.446 -7.471
161 HE1 HIS 19 HE1 HIS 19 32.494 14.718 -8.985
162 H LEU 20 HN LEU 20 30.019 13.845 -3.028
163 HA LEU 20 HA LEU 20 28.447 15.496 -1.225
164 HB2 LEU 20 HB2 LEU 20 26.549 14.370 -2.203
165 HB3 LEU 20 HB1 LEU 20 27.354 12.791 -2.094
166 HG LEU 20 HG LEU 20 27.214 12.801 0.328
167 HD11 LEU 20 HD11 LEU 20 27.659 15.061 0.947
168 HD12 LEU 20 HD12 LEU 20 25.969 14.796 1.435
169 HD13 LEU 20 HD13 LEU 20 26.334 15.689 -0.062
170 HD21 LEU 20 HD21 LEU 20 25.168 12.167 -0.977
171 HD22 LEU 20 HD22 LEU 20 24.583 13.841 -0.816
172 HD23 LEU 20 HD23 LEU 20 24.784 12.824 0.632
Start of MODEL 25
1 H1 TRP 1 HT1 TRP 1 45.037 8.545 17.428
2 H2 TRP 1 HT2 TRP 1 45.607 10.120 17.713
3 H3 TRP 1 HT3 TRP 1 46.704 8.849 17.450
4 HA TRP 1 HA TRP 1 46.356 10.387 15.550
5 HB2 TRP 1 HB2 TRP 1 45.606 7.497 14.987
6 HB3 TRP 1 HB1 TRP 1 46.538 8.615 13.962
7 HD1 TRP 1 HD1 TRP 1 48.977 9.394 14.979
8 HE1 TRP 1 HE1 TRP 1 50.706 8.055 16.385
9 HE3 TRP 1 HE3 TRP 1 45.910 5.674 16.702
10 HZ2 TRP 1 HZ2 TRP 1 50.722 5.689 18.028
11 HZ3 TRP 1 HZ3 TRP 1 46.804 3.888 18.189
12 HH2 TRP 1 HH2 TRP 1 49.205 3.891 18.852
13 H LEU 2 HN LEU 2 45.017 10.606 13.571
14 HA LEU 2 HA LEU 2 42.403 11.439 14.179
15 HB2 LEU 2 HB2 LEU 2 43.888 11.850 12.067
16 HB3 LEU 2 HB1 LEU 2 43.155 10.356 11.444
17 HG LEU 2 HG LEU 2 40.862 11.549 12.155
18 HD11 LEU 2 HD11 LEU 2 42.758 13.905 11.720
19 HD12 LEU 2 HD12 LEU 2 41.905 13.513 13.232
20 HD13 LEU 2 HD13 LEU 2 40.984 14.013 11.797
21 HD21 LEU 2 HD21 LEU 2 42.474 12.410 9.709
22 HD22 LEU 2 HD22 LEU 2 40.705 12.520 9.882
23 HD23 LEU 2 HD23 LEU 2 41.498 10.927 9.839
24 H ARG 3 HN ARG 3 43.611 8.278 13.983
25 HA ARG 3 HA ARG 3 42.543 6.256 14.331
26 HB2 ARG 3 HB2 ARG 3 40.797 7.791 15.563
27 HB3 ARG 3 HB1 ARG 3 39.795 7.531 14.117
28 HG2 ARG 3 HG2 ARG 3 40.040 5.064 14.418
29 HG3 ARG 3 HG1 ARG 3 40.966 5.358 15.909
30 HD2 ARG 3 HD2 ARG 3 38.065 6.104 15.357
31 HD3 ARG 3 HD1 ARG 3 38.674 4.943 16.561
32 HE ARG 3 HE ARG 3 39.898 7.343 17.254
33 HH11 ARG 3 HH11 ARG 3 37.485 8.687 16.106
34 HH12 ARG 3 HH12 ARG 3 36.412 8.735 17.465
35 HH21 ARG 3 HH21 ARG 3 38.166 6.354 19.274
36 HH22 ARG 3 HH22 ARG 3 36.797 7.415 19.257
37 H ARG 4 HN ARG 4 40.973 8.406 11.942
38 HA ARG 4 HA ARG 4 40.306 6.095 10.210
39 HB2 ARG 4 HB2 ARG 4 39.971 9.103 9.885
40 HB3 ARG 4 HB1 ARG 4 39.441 7.895 8.688
41 HG2 ARG 4 HG2 ARG 4 37.969 6.847 10.354
42 HG3 ARG 4 HG1 ARG 4 38.540 7.982 11.601
43 HD2 ARG 4 HD2 ARG 4 37.610 9.876 10.384
44 HD3 ARG 4 HD1 ARG 4 37.171 8.830 9.013
45 HE ARG 4 HE ARG 4 35.227 8.263 10.212
46 HH11 ARG 4 HH11 ARG 4 35.210 6.820 12.320
47 HH12 ARG 4 HH12 ARG 4 35.339 7.787 13.751
48 HH21 ARG 4 HH21 ARG 4 36.483 10.596 12.070
49 HH22 ARG 4 HH22 ARG 4 36.061 9.924 13.610
50 H ILE 5 HN ILE 5 43.058 7.853 10.887
51 HA ILE 5 HA ILE 5 45.041 8.214 9.739
52 HB ILE 5 HB ILE 5 44.164 5.953 7.894
53 HG12 ILE 5 HG12 ILE 5 45.336 5.830 10.711
54 HG13 ILE 5 HG11 ILE 5 43.728 5.259 10.211
55 HG21 ILE 5 HG21 ILE 5 46.515 5.555 7.642
56 HG22 ILE 5 HG22 ILE 5 46.919 6.620 9.010
57 HG23 ILE 5 HG23 ILE 5 46.314 7.315 7.488
58 HD11 ILE 5 HD1 ILE 5 46.450 4.107 9.508
59 HD12 ILE 5 HD2 ILE 5 45.011 3.742 8.522
60 HD13 ILE 5 HD3 ILE 5 45.053 3.290 10.243
61 H GLY 6 HN GLY 6 43.767 10.228 9.047
62 HA2 GLY 6 HA1 GLY 6 43.652 11.811 7.346
63 HA3 GLY 6 HA2 GLY 6 44.293 10.611 6.208
64 H LYS 7 HN LYS 7 41.337 11.497 8.029
65 HA LYS 7 HA LYS 7 39.490 9.900 6.640
66 HB2 LYS 7 HB2 LYS 7 38.899 11.261 8.600
67 HB3 LYS 7 HB1 LYS 7 39.127 12.751 7.652
68 HG2 LYS 7 HG2 LYS 7 37.281 12.206 6.195
69 HG3 LYS 7 HG1 LYS 7 37.165 10.559 6.861
70 HD2 LYS 7 HD2 LYS 7 36.417 11.396 9.003
71 HD3 LYS 7 HD1 LYS 7 36.761 13.076 8.527
72 HE2 LYS 7 HE2 LYS 7 34.689 11.247 7.235
73 HE3 LYS 7 HE1 LYS 7 34.342 12.593 8.347
74 HZ1 LYS 7 HZ1 LYS 7 35.122 12.647 5.545
75 HZ2 LYS 7 HZ2 LYS 7 35.867 13.813 6.531
76 HZ3 LYS 7 HZ3 LYS 7 34.173 13.737 6.432
77 H GLY 8 HN GLY 8 39.527 13.405 5.997
78 HA2 GLY 8 HA1 GLY 8 38.623 12.977 3.280
79 HA3 GLY 8 HA2 GLY 8 39.086 14.524 4.013
80 H VAL 9 HN VAL 9 39.655 13.329 1.333
81 HA VAL 9 HA VAL 9 42.461 12.615 1.293
82 HB VAL 9 HB VAL 9 40.658 13.670 -0.934
83 HG11 VAL 9 HG11 VAL 9 43.446 12.443 -0.925
84 HG12 VAL 9 HG12 VAL 9 42.948 14.014 -1.599
85 HG13 VAL 9 HG13 VAL 9 42.421 12.503 -2.380
86 HG21 VAL 9 HG21 VAL 9 40.529 11.272 -1.563
87 HG22 VAL 9 HG22 VAL 9 39.890 11.544 0.077
88 HG23 VAL 9 HG23 VAL 9 41.515 10.850 -0.142
89 H LYS 10 HN LYS 10 41.235 15.346 -0.619
90 HA LYS 10 HA LYS 10 42.594 17.385 0.900
91 HB2 LYS 10 HB2 LYS 10 44.583 16.149 0.008
92 HB3 LYS 10 HB1 LYS 10 43.998 16.458 -1.639
93 HG2 LYS 10 HG2 LYS 10 45.689 18.119 -1.073
94 HG3 LYS 10 HG1 LYS 10 44.112 18.925 -1.185
95 HD2 LYS 10 HD2 LYS 10 43.954 19.249 1.146
96 HD3 LYS 10 HD1 LYS 10 45.063 17.907 1.515
97 HE2 LYS 10 HE2 LYS 10 46.965 19.216 0.668
98 HE3 LYS 10 HE1 LYS 10 45.872 20.539 0.199
99 HZ1 LYS 10 HZ1 LYS 10 46.924 20.954 2.343
100 HZ2 LYS 10 HZ2 LYS 10 46.266 19.518 2.971
101 HZ3 LYS 10 HZ3 LYS 10 45.245 20.797 2.515
102 H ILE 11 HN ILE 11 41.052 16.148 -1.969
103 HA ILE 11 HA ILE 11 39.985 18.898 -2.545
104 HB ILE 11 HB ILE 11 40.808 16.956 -4.745
105 HG12 ILE 11 HG12 ILE 11 42.349 19.316 -3.568
106 HG13 ILE 11 HG11 ILE 11 42.837 17.605 -3.523
107 HG21 ILE 11 HG21 ILE 11 40.432 18.818 -6.207
108 HG22 ILE 11 HG22 ILE 11 40.364 19.969 -4.851
109 HG23 ILE 11 HG23 ILE 11 39.043 18.804 -5.099
110 HD11 ILE 11 HD1 ILE 11 42.688 17.700 -6.123
111 HD12 ILE 11 HD2 ILE 11 44.068 18.508 -5.342
112 HD13 ILE 11 HD3 ILE 11 42.685 19.469 -5.916
113 H ILE 12 HN ILE 12 39.786 15.388 -3.220
114 HA ILE 12 HA ILE 12 36.961 15.570 -3.990
115 HB ILE 12 HB ILE 12 38.738 13.213 -3.272
116 HG12 ILE 12 HG12 ILE 12 37.886 13.950 -6.105
117 HG13 ILE 12 HG11 ILE 12 39.261 14.792 -5.357
118 HG21 ILE 12 HG21 ILE 12 36.574 12.301 -3.102
119 HG22 ILE 12 HG22 ILE 12 36.887 12.045 -4.828
120 HG23 ILE 12 HG23 ILE 12 35.890 13.418 -4.305
121 HD11 ILE 12 HD1 ILE 12 40.318 12.556 -4.889
122 HD12 ILE 12 HD2 ILE 12 40.103 12.888 -6.623
123 HD13 ILE 12 HD3 ILE 12 38.993 11.780 -5.788
124 H GLY 13 HN GLY 13 38.032 13.069 -1.735
125 HA2 GLY 13 HA1 GLY 13 35.806 13.377 0.018
126 HA3 GLY 13 HA2 GLY 13 37.342 12.577 0.421
127 H GLY 14 HN GLY 14 38.378 15.275 -0.711
128 HA2 GLY 14 HA1 GLY 14 38.810 16.541 1.914
129 HA3 GLY 14 HA2 GLY 14 39.495 17.042 0.351
130 H ALA 15 HN ALA 15 37.269 17.394 -1.252
131 HA ALA 15 HA ALA 15 36.083 19.821 0.050
132 HB1 ALA 15 HB1 ALA 15 35.628 18.729 -2.753
133 HB2 ALA 15 HB2 ALA 15 36.925 19.877 -2.327
134 HB3 ALA 15 HB3 ALA 15 35.220 20.347 -2.142
135 H ALA 16 HN ALA 16 35.573 17.066 0.922
136 HA ALA 16 HA ALA 16 33.739 15.981 1.820
137 HB1 ALA 16 HB1 ALA 16 31.640 16.999 1.944
138 HB2 ALA 16 HB2 ALA 16 31.783 17.749 0.338
139 HB3 ALA 16 HB3 ALA 16 32.706 18.402 1.712
140 H LEU 17 HN LEU 17 35.090 15.062 -0.436
141 HA LEU 17 HA LEU 17 34.788 13.463 -2.095
142 HB2 LEU 17 HB2 LEU 17 33.026 12.667 -0.304
143 HB3 LEU 17 HB1 LEU 17 31.830 13.283 -1.462
144 HG LEU 17 HG LEU 17 33.244 11.838 -3.223
145 HD11 LEU 17 HD11 LEU 17 34.117 9.754 -2.177
146 HD12 LEU 17 HD12 LEU 17 33.817 10.445 -0.564
147 HD13 LEU 17 HD13 LEU 17 35.029 11.182 -1.639
148 HD21 LEU 17 HD21 LEU 17 31.360 10.596 -1.164
149 HD22 LEU 17 HD22 LEU 17 31.759 9.895 -2.751
150 HD23 LEU 17 HD23 LEU 17 30.875 11.437 -2.656
151 H ASP 18 HN ASP 18 34.007 16.445 -2.340
152 HA ASP 18 HA ASP 18 33.302 17.836 -4.047
153 HB2 ASP 18 HB2 ASP 18 34.863 16.319 -5.334
154 HB3 ASP 18 HB1 ASP 18 33.440 15.371 -5.825
155 H HIS 19 HN HIS 19 31.796 14.840 -5.314
156 HA HIS 19 HA HIS 19 29.339 16.041 -5.976
157 HB2 HIS 19 HB2 HIS 19 29.650 13.176 -5.012
158 HB3 HIS 19 HB1 HIS 19 28.455 13.817 -6.165
159 HD1 HIS 19 HD1 HIS 19 30.500 15.627 -7.799
160 HD2 HIS 19 HD2 HIS 19 31.068 11.571 -6.837
161 HE1 HIS 19 HE1 HIS 19 32.129 14.658 -9.514
162 H LEU 20 HN LEU 20 29.863 13.873 -3.152
163 HA LEU 20 HA LEU 20 27.405 14.680 -1.891
164 HB2 LEU 20 HB2 LEU 20 28.968 12.568 -1.541
165 HB3 LEU 20 HB1 LEU 20 29.762 13.589 -0.325
166 HG LEU 20 HG LEU 20 26.802 12.842 -0.422
167 HD11 LEU 20 HD11 LEU 20 28.471 11.089 0.338
168 HD12 LEU 20 HD12 LEU 20 27.277 11.554 1.573
169 HD13 LEU 20 HD13 LEU 20 28.938 12.193 1.654
170 HD21 LEU 20 HD21 LEU 20 28.388 14.745 1.351
171 HD22 LEU 20 HD22 LEU 20 26.874 13.993 1.909
172 HD23 LEU 20 HD23 LEU 20 26.866 15.049 0.480
Start of MODEL 26
1 H1 TRP 1 HT1 TRP 1 39.056 -0.311 7.584
2 H2 TRP 1 HT2 TRP 1 38.422 -0.656 9.124
3 H3 TRP 1 HT3 TRP 1 39.547 0.602 8.925
4 HA TRP 1 HA TRP 1 36.976 1.013 9.100
5 HB2 TRP 1 HB2 TRP 1 38.820 2.517 7.203
6 HB3 TRP 1 HB1 TRP 1 37.379 3.162 8.025
7 HD1 TRP 1 HD1 TRP 1 37.582 3.792 10.554
8 HE1 TRP 1 HE1 TRP 1 39.575 4.038 12.206
9 HE3 TRP 1 HE3 TRP 1 41.217 1.486 7.783
10 HZ2 TRP 1 HZ2 TRP 1 42.362 3.317 12.283
11 HZ3 TRP 1 HZ3 TRP 1 43.536 1.277 8.666
12 HH2 TRP 1 HH2 TRP 1 44.111 2.189 10.912
13 H LEU 2 HN LEU 2 35.641 2.241 7.259
14 HA LEU 2 HA LEU 2 34.794 0.125 5.459
15 HB2 LEU 2 HB2 LEU 2 33.422 2.071 6.577
16 HB3 LEU 2 HB1 LEU 2 33.990 3.037 5.200
17 HG LEU 2 HG LEU 2 33.111 0.973 3.754
18 HD11 LEU 2 HD11 LEU 2 31.064 -0.039 4.798
19 HD12 LEU 2 HD12 LEU 2 31.511 0.717 6.345
20 HD13 LEU 2 HD13 LEU 2 32.562 -0.524 5.622
21 HD21 LEU 2 HD21 LEU 2 32.168 3.231 3.604
22 HD22 LEU 2 HD22 LEU 2 31.266 2.986 5.120
23 HD23 LEU 2 HD23 LEU 2 30.844 2.044 3.669
24 H ARG 3 HN ARG 3 37.361 2.213 5.379
25 HA ARG 3 HA ARG 3 38.941 2.550 3.711
26 HB2 ARG 3 HB2 ARG 3 37.846 0.392 2.657
27 HB3 ARG 3 HB1 ARG 3 37.075 1.541 1.539
28 HG2 ARG 3 HG2 ARG 3 39.351 2.480 1.016
29 HG3 ARG 3 HG1 ARG 3 40.067 1.196 2.021
30 HD2 ARG 3 HD2 ARG 3 39.007 -0.522 0.580
31 HD3 ARG 3 HD1 ARG 3 38.303 0.763 -0.430
32 HE ARG 3 HE ARG 3 41.177 1.060 -0.224
33 HH11 ARG 3 HH11 ARG 3 39.663 1.497 -2.744
34 HH12 ARG 3 HH12 ARG 3 40.122 0.127 -3.701
35 HH21 ARG 3 HH21 ARG 3 41.338 -1.683 -1.005
36 HH22 ARG 3 HH22 ARG 3 41.068 -1.673 -2.716
37 H ARG 4 HN ARG 4 35.704 3.633 3.692
38 HA ARG 4 HA ARG 4 36.553 6.232 2.590
39 HB2 ARG 4 HB2 ARG 4 34.695 6.252 0.890
40 HB3 ARG 4 HB1 ARG 4 36.018 5.126 0.503
41 HG2 ARG 4 HG2 ARG 4 34.714 3.248 1.434
42 HG3 ARG 4 HG1 ARG 4 33.396 4.365 1.863
43 HD2 ARG 4 HD2 ARG 4 33.266 5.005 -0.593
44 HD3 ARG 4 HD1 ARG 4 34.401 3.674 -0.928
45 HE ARG 4 HE ARG 4 32.109 2.780 0.623
46 HH11 ARG 4 HH11 ARG 4 33.551 1.343 -1.656
47 HH12 ARG 4 HH12 ARG 4 32.314 1.322 -2.868
48 HH21 ARG 4 HH21 ARG 4 30.373 3.734 -1.308
49 HH22 ARG 4 HH22 ARG 4 30.514 2.675 -2.670
50 H ILE 5 HN ILE 5 35.520 5.060 5.115
51 HA ILE 5 HA ILE 5 32.760 5.696 5.469
52 HB ILE 5 HB ILE 5 34.166 4.413 7.115
53 HG12 ILE 5 HG12 ILE 5 32.825 6.903 8.269
54 HG13 ILE 5 HG11 ILE 5 31.958 5.456 7.707
55 HG21 ILE 5 HG21 ILE 5 36.109 6.089 6.934
56 HG22 ILE 5 HG22 ILE 5 35.701 5.530 8.572
57 HG23 ILE 5 HG23 ILE 5 35.172 7.138 8.023
58 HD11 ILE 5 HD1 ILE 5 33.461 4.131 9.354
59 HD12 ILE 5 HD2 ILE 5 32.184 5.149 10.057
60 HD13 ILE 5 HD3 ILE 5 33.871 5.715 10.055
61 H GLY 6 HN GLY 6 35.695 7.666 5.537
62 HA2 GLY 6 HA1 GLY 6 34.348 10.083 4.951
63 HA3 GLY 6 HA2 GLY 6 34.534 10.003 6.714
64 H LYS 7 HN LYS 7 36.926 8.310 4.938
65 HA LYS 7 HA LYS 7 39.043 9.954 5.958
66 HB2 LYS 7 HB2 LYS 7 39.150 7.505 5.226
67 HB3 LYS 7 HB1 LYS 7 39.227 8.103 3.551
68 HG2 LYS 7 HG2 LYS 7 41.199 9.573 4.330
69 HG3 LYS 7 HG1 LYS 7 41.206 8.589 5.813
70 HD2 LYS 7 HD2 LYS 7 41.528 7.552 2.960
71 HD3 LYS 7 HD1 LYS 7 42.812 7.674 4.186
72 HE2 LYS 7 HE2 LYS 7 41.283 6.163 5.656
73 HE3 LYS 7 HE1 LYS 7 40.405 5.822 4.144
74 HZ1 LYS 7 HZ1 LYS 7 42.275 4.857 3.193
75 HZ2 LYS 7 HZ2 LYS 7 42.335 4.298 4.795
76 HZ3 LYS 7 HZ3 LYS 7 43.350 5.566 4.297
77 H GLY 8 HN GLY 8 38.626 12.111 5.384
78 HA2 GLY 8 HA1 GLY 8 38.257 12.895 2.619
79 HA3 GLY 8 HA2 GLY 8 38.612 13.966 3.989
80 H VAL 9 HN VAL 9 39.698 13.120 1.059
81 HA VAL 9 HA VAL 9 42.500 12.623 1.537
82 HB VAL 9 HB VAL 9 41.096 13.813 -0.900
83 HG11 VAL 9 HG11 VAL 9 43.209 12.941 -2.059
84 HG12 VAL 9 HG12 VAL 9 43.926 12.783 -0.437
85 HG13 VAL 9 HG13 VAL 9 43.432 14.382 -1.041
86 HG21 VAL 9 HG21 VAL 9 41.172 11.544 -1.775
87 HG22 VAL 9 HG22 VAL 9 40.399 11.493 -0.173
88 HG23 VAL 9 HG23 VAL 9 42.093 10.982 -0.361
89 H LYS 10 HN LYS 10 41.441 15.478 -0.294
90 HA LYS 10 HA LYS 10 42.313 17.407 1.672
91 HB2 LYS 10 HB2 LYS 10 44.526 16.382 1.025
92 HB3 LYS 10 HB1 LYS 10 44.240 16.954 -0.637
93 HG2 LYS 10 HG2 LYS 10 44.087 19.279 0.163
94 HG3 LYS 10 HG1 LYS 10 44.310 18.729 1.842
95 HD2 LYS 10 HD2 LYS 10 46.539 17.870 1.311
96 HD3 LYS 10 HD1 LYS 10 46.318 18.282 -0.408
97 HE2 LYS 10 HE2 LYS 10 47.670 19.980 0.894
98 HE3 LYS 10 HE1 LYS 10 46.224 20.653 0.102
99 HZ1 LYS 10 HZ1 LYS 10 46.462 21.391 2.415
100 HZ2 LYS 10 HZ2 LYS 10 46.369 19.780 2.947
101 HZ3 LYS 10 HZ3 LYS 10 45.036 20.504 2.181
102 H ILE 11 HN ILE 11 41.440 16.439 -1.564
103 HA ILE 11 HA ILE 11 40.375 19.214 -2.064
104 HB ILE 11 HB ILE 11 41.534 17.437 -4.252
105 HG12 ILE 11 HG12 ILE 11 42.868 19.695 -2.685
106 HG13 ILE 11 HG11 ILE 11 43.354 17.983 -2.694
107 HG21 ILE 11 HG21 ILE 11 41.090 20.450 -4.198
108 HG22 ILE 11 HG22 ILE 11 39.829 19.310 -4.726
109 HG23 ILE 11 HG23 ILE 11 41.369 19.404 -5.610
110 HD11 ILE 11 HD1 ILE 11 44.837 19.011 -4.237
111 HD12 ILE 11 HD2 ILE 11 43.550 20.017 -4.940
112 HD13 ILE 11 HD3 ILE 11 43.596 18.268 -5.272
113 H ILE 12 HN ILE 12 40.336 15.791 -3.154
114 HA ILE 12 HA ILE 12 37.611 16.057 -4.211
115 HB ILE 12 HB ILE 12 39.287 13.601 -3.602
116 HG12 ILE 12 HG12 ILE 12 40.549 14.959 -5.129
117 HG13 ILE 12 HG11 ILE 12 39.815 13.666 -6.097
118 HG21 ILE 12 HG21 ILE 12 37.120 12.761 -3.936
119 HG22 ILE 12 HG22 ILE 12 37.748 12.717 -5.595
120 HG23 ILE 12 HG23 ILE 12 36.673 14.039 -5.084
121 HD11 ILE 12 HD1 ILE 12 37.884 15.402 -6.514
122 HD12 ILE 12 HD2 ILE 12 39.415 15.600 -7.393
123 HD13 ILE 12 HD3 ILE 12 39.074 16.606 -5.968
124 H GLY 13 HN GLY 13 38.414 13.242 -2.234
125 HA2 GLY 13 HA1 GLY 13 35.998 13.307 -0.741
126 HA3 GLY 13 HA2 GLY 13 37.488 12.467 -0.257
127 H GLY 14 HN GLY 14 38.613 15.290 -0.839
128 HA2 GLY 14 HA1 GLY 14 38.670 16.172 1.965
129 HA3 GLY 14 HA2 GLY 14 39.543 16.892 0.593
130 H ALA 15 HN ALA 15 37.551 17.478 -1.228
131 HA ALA 15 HA ALA 15 36.179 19.706 0.218
132 HB1 ALA 15 HB1 ALA 15 37.242 20.071 -2.023
133 HB2 ALA 15 HB2 ALA 15 35.509 20.462 -1.987
134 HB3 ALA 15 HB3 ALA 15 36.058 18.941 -2.725
135 H ALA 16 HN ALA 16 35.594 16.870 0.719
136 HA ALA 16 HA ALA 16 33.678 15.729 1.318
137 HB1 ALA 16 HB1 ALA 16 31.568 16.730 1.288
138 HB2 ALA 16 HB2 ALA 16 31.883 17.608 -0.227
139 HB3 ALA 16 HB3 ALA 16 32.638 18.151 1.290
140 H LEU 17 HN LEU 17 35.312 15.154 -0.972
141 HA LEU 17 HA LEU 17 35.204 13.824 -2.890
142 HB2 LEU 17 HB2 LEU 17 33.726 12.536 -1.124
143 HB3 LEU 17 HB1 LEU 17 32.366 13.055 -2.140
144 HG LEU 17 HG LEU 17 33.907 12.082 -4.123
145 HD11 LEU 17 HD11 LEU 17 34.733 10.267 -1.820
146 HD12 LEU 17 HD12 LEU 17 35.765 11.597 -2.389
147 HD13 LEU 17 HD13 LEU 17 35.334 10.273 -3.495
148 HD21 LEU 17 HD21 LEU 17 32.257 10.423 -2.164
149 HD22 LEU 17 HD22 LEU 17 32.813 9.821 -3.744
150 HD23 LEU 17 HD23 LEU 17 31.694 11.203 -3.660
151 H ASP 18 HN ASP 18 33.702 16.597 -2.619
152 HA ASP 18 HA ASP 18 32.608 18.017 -4.079
153 HB2 ASP 18 HB2 ASP 18 33.361 15.989 -6.220
154 HB3 ASP 18 HB1 ASP 18 32.969 17.707 -6.456
155 H HIS 19 HN HIS 19 31.894 14.985 -5.850
156 HA HIS 19 HA HIS 19 29.206 15.583 -6.371
157 HB2 HIS 19 HB2 HIS 19 30.505 13.683 -7.354
158 HB3 HIS 19 HB1 HIS 19 30.333 12.812 -5.811
159 HD1 HIS 19 HD1 HIS 19 28.037 11.811 -5.217
160 HD2 HIS 19 HD2 HIS 19 28.000 14.067 -8.766
161 HE1 HIS 19 HE1 HIS 19 25.820 11.339 -6.398
162 H LEU 20 HN LEU 20 30.592 13.864 -3.551
163 HA LEU 20 HA LEU 20 28.413 14.778 -1.860
164 HB2 LEU 20 HB2 LEU 20 27.534 12.734 -3.311
165 HB3 LEU 20 HB1 LEU 20 28.472 11.759 -2.160
166 HG LEU 20 HG LEU 20 26.233 13.728 -1.495
167 HD11 LEU 20 HD11 LEU 20 25.041 11.731 -0.745
168 HD12 LEU 20 HD12 LEU 20 26.461 10.713 -1.085
169 HD13 LEU 20 HD13 LEU 20 25.579 11.485 -2.424
170 HD21 LEU 20 HD21 LEU 20 26.601 12.727 0.868
171 HD22 LEU 20 HD22 LEU 20 27.797 13.917 0.305
172 HD23 LEU 20 HD23 LEU 20 28.182 12.178 0.262
Start of MODEL 27
1 H1 TRP 1 HT1 TRP 1 33.970 18.969 16.389
2 H2 TRP 1 HT2 TRP 1 35.039 20.155 16.972
3 H3 TRP 1 HT3 TRP 1 35.642 18.699 16.334
4 HA TRP 1 HA TRP 1 33.958 20.384 14.657
5 HB2 TRP 1 HB2 TRP 1 36.907 20.864 15.243
6 HB3 TRP 1 HB1 TRP 1 35.988 21.620 13.920
7 HD1 TRP 1 HD1 TRP 1 36.513 21.741 17.672
8 HE1 TRP 1 HE1 TRP 1 35.258 23.781 18.684
9 HE3 TRP 1 HE3 TRP 1 33.840 23.171 13.547
10 HZ2 TRP 1 HZ2 TRP 1 33.355 25.751 17.792
11 HZ3 TRP 1 HZ3 TRP 1 32.311 25.134 13.650
12 HH2 TRP 1 HH2 TRP 1 32.067 26.424 15.766
13 H LEU 2 HN LEU 2 33.925 17.731 14.475
14 HA LEU 2 HA LEU 2 34.323 15.989 12.997
15 HB2 LEU 2 HB2 LEU 2 35.807 17.977 11.260
16 HB3 LEU 2 HB1 LEU 2 34.969 16.494 10.756
17 HG LEU 2 HG LEU 2 33.659 18.995 11.918
18 HD11 LEU 2 HD11 LEU 2 32.652 19.165 9.655
19 HD12 LEU 2 HD12 LEU 2 33.591 17.746 9.135
20 HD13 LEU 2 HD13 LEU 2 34.428 19.251 9.585
21 HD21 LEU 2 HD21 LEU 2 32.583 16.251 11.150
22 HD22 LEU 2 HD22 LEU 2 31.538 17.691 11.151
23 HD23 LEU 2 HD23 LEU 2 32.322 17.164 12.656
24 H ARG 3 HN ARG 3 36.756 17.670 14.536
25 HA ARG 3 HA ARG 3 38.875 17.073 15.224
26 HB2 ARG 3 HB2 ARG 3 38.426 14.348 13.955
27 HB3 ARG 3 HB1 ARG 3 39.524 14.773 15.284
28 HG2 ARG 3 HG2 ARG 3 37.550 15.403 16.681
29 HG3 ARG 3 HG1 ARG 3 36.477 14.868 15.367
30 HD2 ARG 3 HD2 ARG 3 37.407 12.592 15.500
31 HD3 ARG 3 HD1 ARG 3 38.536 13.113 16.774
32 HE ARG 3 HE ARG 3 36.761 12.787 18.280
33 HH11 ARG 3 HH11 ARG 3 35.216 15.129 17.177
34 HH12 ARG 3 HH12 ARG 3 33.712 14.388 16.745
35 HH21 ARG 3 HH21 ARG 3 34.970 11.158 16.849
36 HH22 ARG 3 HH22 ARG 3 33.573 12.139 16.558
37 H ARG 4 HN ARG 4 38.659 15.066 12.257
38 HA ARG 4 HA ARG 4 41.231 16.050 11.340
39 HB2 ARG 4 HB2 ARG 4 39.054 14.462 9.924
40 HB3 ARG 4 HB1 ARG 4 40.686 14.755 9.278
41 HG2 ARG 4 HG2 ARG 4 41.640 13.693 11.351
42 HG3 ARG 4 HG1 ARG 4 39.982 13.286 11.855
43 HD2 ARG 4 HD2 ARG 4 39.661 11.963 9.799
44 HD3 ARG 4 HD1 ARG 4 41.296 12.398 9.248
45 HE ARG 4 HE ARG 4 41.625 11.237 11.789
46 HH11 ARG 4 HH11 ARG 4 41.963 10.414 8.637
47 HH12 ARG 4 HH12 ARG 4 41.612 8.727 8.815
48 HH21 ARG 4 HH21 ARG 4 40.461 9.039 12.071
49 HH22 ARG 4 HH22 ARG 4 40.759 7.949 10.759
50 H ILE 5 HN ILE 5 38.594 17.793 11.675
51 HA ILE 5 HA ILE 5 37.477 19.447 10.445
52 HB ILE 5 HB ILE 5 39.058 21.222 9.645
53 HG12 ILE 5 HG12 ILE 5 41.243 19.271 10.522
54 HG13 ILE 5 HG11 ILE 5 40.818 19.570 8.823
55 HG21 ILE 5 HG21 ILE 5 38.372 20.882 12.076
56 HG22 ILE 5 HG22 ILE 5 39.909 21.742 11.846
57 HG23 ILE 5 HG23 ILE 5 39.912 20.025 12.317
58 HD11 ILE 5 HD1 ILE 5 42.020 21.496 10.839
59 HD12 ILE 5 HD2 ILE 5 41.214 22.083 9.364
60 HD13 ILE 5 HD3 ILE 5 42.642 21.030 9.240
61 H GLY 6 HN GLY 6 37.924 16.969 8.875
62 HA2 GLY 6 HA1 GLY 6 36.786 17.508 6.485
63 HA3 GLY 6 HA2 GLY 6 38.466 17.967 6.139
64 H LYS 7 HN LYS 7 36.696 15.288 7.767
65 HA LYS 7 HA LYS 7 38.649 13.303 7.406
66 HB2 LYS 7 HB2 LYS 7 36.549 11.730 7.274
67 HB3 LYS 7 HB1 LYS 7 36.817 12.688 8.748
68 HG2 LYS 7 HG2 LYS 7 35.183 14.318 8.123
69 HG3 LYS 7 HG1 LYS 7 35.102 13.712 6.453
70 HD2 LYS 7 HD2 LYS 7 34.119 11.597 7.236
71 HD3 LYS 7 HD1 LYS 7 34.260 12.138 8.926
72 HE2 LYS 7 HE2 LYS 7 32.689 13.678 6.821
73 HE3 LYS 7 HE1 LYS 7 31.953 12.441 7.868
74 HZ1 LYS 7 HZ1 LYS 7 31.757 14.725 8.749
75 HZ2 LYS 7 HZ2 LYS 7 33.450 14.816 8.860
76 HZ3 LYS 7 HZ3 LYS 7 32.593 13.686 9.797
77 H GLY 8 HN GLY 8 39.744 13.388 5.467
78 HA2 GLY 8 HA1 GLY 8 38.777 11.809 3.345
79 HA3 GLY 8 HA2 GLY 8 38.420 13.494 2.917
80 H VAL 9 HN VAL 9 39.864 13.055 1.095
81 HA VAL 9 HA VAL 9 42.705 12.636 1.650
82 HB VAL 9 HB VAL 9 41.294 13.558 -0.897
83 HG11 VAL 9 HG11 VAL 9 43.458 12.666 -1.937
84 HG12 VAL 9 HG12 VAL 9 44.140 12.654 -0.293
85 HG13 VAL 9 HG13 VAL 9 43.618 14.188 -1.028
86 HG21 VAL 9 HG21 VAL 9 42.344 10.815 -0.067
87 HG22 VAL 9 HG22 VAL 9 41.503 11.216 -1.583
88 HG23 VAL 9 HG23 VAL 9 40.631 11.293 -0.034
89 H LYS 10 HN LYS 10 41.412 15.282 -0.366
90 HA LYS 10 HA LYS 10 42.231 17.392 1.433
91 HB2 LYS 10 HB2 LYS 10 44.479 16.470 0.757
92 HB3 LYS 10 HB1 LYS 10 44.090 16.902 -0.925
93 HG2 LYS 10 HG2 LYS 10 43.855 19.259 -0.312
94 HG3 LYS 10 HG1 LYS 10 44.099 18.868 1.407
95 HD2 LYS 10 HD2 LYS 10 46.372 18.007 0.880
96 HD3 LYS 10 HD1 LYS 10 46.130 18.439 -0.831
97 HE2 LYS 10 HE2 LYS 10 46.095 20.374 1.528
98 HE3 LYS 10 HE1 LYS 10 47.400 20.209 0.329
99 HZ1 LYS 10 HZ1 LYS 10 46.283 21.771 -0.784
100 HZ2 LYS 10 HZ2 LYS 10 44.859 21.557 0.116
101 HZ3 LYS 10 HZ3 LYS 10 45.192 20.542 -1.205
102 H ILE 11 HN ILE 11 41.358 16.179 -1.736
103 HA ILE 11 HA ILE 11 40.180 18.881 -2.409
104 HB ILE 11 HB ILE 11 41.095 16.814 -4.450
105 HG12 ILE 11 HG12 ILE 11 42.616 19.211 -3.326
106 HG13 ILE 11 HG11 ILE 11 43.062 17.499 -3.138
107 HG21 ILE 11 HG21 ILE 11 40.718 19.822 -4.739
108 HG22 ILE 11 HG22 ILE 11 39.389 18.667 -4.996
109 HG23 ILE 11 HG23 ILE 11 40.837 18.599 -6.026
110 HD11 ILE 11 HD1 ILE 11 44.417 18.254 -4.937
111 HD12 ILE 11 HD2 ILE 11 43.092 19.197 -5.656
112 HD13 ILE 11 HD3 ILE 11 43.068 17.417 -5.741
113 H ILE 12 HN ILE 12 39.993 15.371 -3.168
114 HA ILE 12 HA ILE 12 37.198 15.587 -3.979
115 HB ILE 12 HB ILE 12 38.868 13.167 -3.219
116 HG12 ILE 12 HG12 ILE 12 39.988 14.363 -5.005
117 HG13 ILE 12 HG11 ILE 12 39.227 12.924 -5.709
118 HG21 ILE 12 HG21 ILE 12 36.706 12.284 -3.297
119 HG22 ILE 12 HG22 ILE 12 37.123 12.150 -5.018
120 HG23 ILE 12 HG23 ILE 12 36.119 13.504 -4.448
121 HD11 ILE 12 HD1 ILE 12 37.210 14.544 -6.215
122 HD12 ILE 12 HD2 ILE 12 38.655 14.620 -7.245
123 HD13 ILE 12 HD3 ILE 12 38.411 15.833 -5.970
124 H GLY 13 HN GLY 13 37.989 12.943 -1.810
125 HA2 GLY 13 HA1 GLY 13 35.723 13.261 -0.166
126 HA3 GLY 13 HA2 GLY 13 37.222 12.441 0.320
127 H GLY 14 HN GLY 14 38.421 15.119 -0.588
128 HA2 GLY 14 HA1 GLY 14 38.634 16.293 2.089
129 HA3 GLY 14 HA2 GLY 14 39.441 16.849 0.605
130 H ALA 15 HN ALA 15 37.364 17.297 -1.156
131 HA ALA 15 HA ALA 15 36.093 19.677 0.150
132 HB1 ALA 15 HB1 ALA 15 35.824 18.683 -2.713
133 HB2 ALA 15 HB2 ALA 15 37.079 19.821 -2.159
134 HB3 ALA 15 HB3 ALA 15 35.363 20.276 -2.076
135 H ALA 16 HN ALA 16 35.500 16.909 0.913
136 HA ALA 16 HA ALA 16 33.603 15.821 1.657
137 HB1 ALA 16 HB1 ALA 16 31.504 16.853 1.659
138 HB2 ALA 16 HB2 ALA 16 31.767 17.642 0.087
139 HB3 ALA 16 HB3 ALA 16 32.596 18.252 1.538
140 H LEU 17 HN LEU 17 35.115 15.057 -0.631
141 HA LEU 17 HA LEU 17 34.919 13.560 -2.398
142 HB2 LEU 17 HB2 LEU 17 33.078 12.715 -0.540
143 HB3 LEU 17 HB1 LEU 17 32.012 12.962 -1.937
144 HG LEU 17 HG LEU 17 34.562 11.274 -1.948
145 HD11 LEU 17 HD11 LEU 17 33.020 9.354 -2.046
146 HD12 LEU 17 HD12 LEU 17 31.624 10.453 -1.953
147 HD13 LEU 17 HD13 LEU 17 32.732 10.303 -0.568
148 HD21 LEU 17 HD21 LEU 17 34.077 12.199 -4.157
149 HD22 LEU 17 HD22 LEU 17 32.362 11.743 -4.011
150 HD23 LEU 17 HD23 LEU 17 33.611 10.483 -4.146
151 H ASP 18 HN ASP 18 34.117 16.442 -2.592
152 HA ASP 18 HA ASP 18 33.285 17.873 -4.206
153 HB2 ASP 18 HB2 ASP 18 34.690 16.397 -5.669
154 HB3 ASP 18 HB1 ASP 18 33.243 15.416 -6.001
155 H HIS 19 HN HIS 19 31.613 14.933 -5.381
156 HA HIS 19 HA HIS 19 29.133 16.166 -5.815
157 HB2 HIS 19 HB2 HIS 19 29.425 13.305 -4.836
158 HB3 HIS 19 HB1 HIS 19 28.205 13.973 -5.948
159 HD1 HIS 19 HD1 HIS 19 31.924 13.140 -5.744
160 HD2 HIS 19 HD2 HIS 19 28.991 14.004 -8.629
161 HE1 HIS 19 HE1 HIS 19 32.986 12.781 -8.040
162 H LEU 20 HN LEU 20 29.854 14.017 -3.018
163 HA LEU 20 HA LEU 20 27.539 14.967 -1.561
164 HB2 LEU 20 HB2 LEU 20 28.356 12.742 -1.128
165 HB3 LEU 20 HB1 LEU 20 29.987 13.343 -0.767
166 HG LEU 20 HG LEU 20 29.234 14.393 1.284
167 HD11 LEU 20 HD11 LEU 20 26.746 14.067 1.947
168 HD12 LEU 20 HD12 LEU 20 26.458 13.732 0.222
169 HD13 LEU 20 HD13 LEU 20 27.102 15.312 0.727
170 HD21 LEU 20 HD21 LEU 20 27.965 11.635 0.970
171 HD22 LEU 20 HD22 LEU 20 28.364 12.419 2.517
172 HD23 LEU 20 HD23 LEU 20 29.663 11.961 1.389
Start of MODEL 28
1 H1 TRP 1 HT1 TRP 1 39.190 17.202 10.110
2 H2 TRP 1 HT2 TRP 1 39.636 16.786 8.524
3 H3 TRP 1 HT3 TRP 1 40.728 16.555 9.806
4 HA TRP 1 HA TRP 1 39.985 14.554 10.152
5 HB2 TRP 1 HB2 TRP 1 37.290 15.951 10.365
6 HB3 TRP 1 HB1 TRP 1 37.559 14.236 10.759
7 HD1 TRP 1 HD1 TRP 1 39.562 13.813 12.667
8 HE1 TRP 1 HE1 TRP 1 40.044 15.144 14.848
9 HE3 TRP 1 HE3 TRP 1 37.150 18.174 11.499
10 HZ2 TRP 1 HZ2 TRP 1 39.447 17.753 15.910
11 HZ3 TRP 1 HZ3 TRP 1 37.119 20.071 13.111
12 HH2 TRP 1 HH2 TRP 1 38.265 19.865 15.314
13 H LEU 2 HN LEU 2 38.726 12.727 9.247
14 HA LEU 2 HA LEU 2 38.706 12.913 6.346
15 HB2 LEU 2 HB2 LEU 2 37.542 10.685 8.051
16 HB3 LEU 2 HB1 LEU 2 38.162 10.578 6.387
17 HG LEU 2 HG LEU 2 39.823 11.243 8.862
18 HD11 LEU 2 HD11 LEU 2 40.795 9.016 8.539
19 HD12 LEU 2 HD12 LEU 2 39.775 8.749 7.105
20 HD13 LEU 2 HD13 LEU 2 39.030 8.872 8.718
21 HD21 LEU 2 HD21 LEU 2 41.716 10.772 7.129
22 HD22 LEU 2 HD22 LEU 2 40.876 12.335 7.022
23 HD23 LEU 2 HD23 LEU 2 40.462 11.025 5.891
24 H ARG 3 HN ARG 3 36.531 13.891 8.678
25 HA ARG 3 HA ARG 3 34.339 14.603 8.569
26 HB2 ARG 3 HB2 ARG 3 34.420 14.117 5.573
27 HB3 ARG 3 HB1 ARG 3 33.408 15.264 6.478
28 HG2 ARG 3 HG2 ARG 3 35.560 16.397 7.245
29 HG3 ARG 3 HG1 ARG 3 36.422 15.379 6.067
30 HD2 ARG 3 HD2 ARG 3 35.917 17.529 5.026
31 HD3 ARG 3 HD1 ARG 3 34.912 16.271 4.266
32 HE ARG 3 HE ARG 3 33.539 17.539 6.491
33 HH11 ARG 3 HH11 ARG 3 31.531 18.364 5.731
34 HH12 ARG 3 HH12 ARG 3 31.505 19.181 4.204
35 HH21 ARG 3 HH21 ARG 3 34.785 18.377 3.417
36 HH22 ARG 3 HH22 ARG 3 33.347 19.189 2.895
37 H ARG 4 HN ARG 4 34.315 12.263 5.840
38 HA ARG 4 HA ARG 4 31.882 11.037 6.841
39 HB2 ARG 4 HB2 ARG 4 33.840 10.020 4.744
40 HB3 ARG 4 HB1 ARG 4 32.160 9.483 4.975
41 HG2 ARG 4 HG2 ARG 4 31.329 11.728 4.443
42 HG3 ARG 4 HG1 ARG 4 32.996 12.340 4.310
43 HD2 ARG 4 HD2 ARG 4 31.974 11.820 2.080
44 HD3 ARG 4 HD1 ARG 4 33.433 10.856 2.411
45 HE ARG 4 HE ARG 4 31.237 9.327 3.319
46 HH11 ARG 4 HH11 ARG 4 29.424 9.189 1.545
47 HH12 ARG 4 HH12 ARG 4 30.051 8.645 0.024
48 HH21 ARG 4 HH21 ARG 4 33.355 9.278 0.859
49 HH22 ARG 4 HH22 ARG 4 32.276 8.697 -0.363
50 H ILE 5 HN ILE 5 34.856 10.931 8.157
51 HA ILE 5 HA ILE 5 36.053 9.362 9.396
52 HB ILE 5 HB ILE 5 33.330 8.138 10.006
53 HG12 ILE 5 HG12 ILE 5 34.603 10.665 11.158
54 HG13 ILE 5 HG11 ILE 5 33.152 10.601 10.133
55 HG21 ILE 5 HG21 ILE 5 34.318 7.557 12.110
56 HG22 ILE 5 HG22 ILE 5 35.715 8.625 11.838
57 HG23 ILE 5 HG23 ILE 5 35.536 7.133 10.887
58 HD11 ILE 5 HD1 ILE 5 33.502 9.596 12.975
59 HD12 ILE 5 HD2 ILE 5 32.179 9.001 11.941
60 HD13 ILE 5 HD3 ILE 5 32.291 10.731 12.340
61 H GLY 6 HN GLY 6 36.943 8.421 7.398
62 HA2 GLY 6 HA1 GLY 6 37.032 5.645 7.438
63 HA3 GLY 6 HA2 GLY 6 35.712 6.017 6.311
64 H LYS 7 HN LYS 7 36.813 8.457 5.273
65 HA LYS 7 HA LYS 7 39.482 7.951 4.259
66 HB2 LYS 7 HB2 LYS 7 38.212 6.209 2.999
67 HB3 LYS 7 HB1 LYS 7 37.180 7.491 2.320
68 HG2 LYS 7 HG2 LYS 7 39.057 8.523 1.204
69 HG3 LYS 7 HG1 LYS 7 40.215 7.470 2.054
70 HD2 LYS 7 HD2 LYS 7 39.197 5.485 0.941
71 HD3 LYS 7 HD1 LYS 7 38.097 6.567 0.052
72 HE2 LYS 7 HE2 LYS 7 41.142 6.519 -0.111
73 HE3 LYS 7 HE1 LYS 7 39.994 6.042 -1.386
74 HZ1 LYS 7 HZ1 LYS 7 40.173 8.151 -2.052
75 HZ2 LYS 7 HZ2 LYS 7 40.884 8.667 -0.598
76 HZ3 LYS 7 HZ3 LYS 7 39.193 8.549 -0.726
77 H GLY 8 HN GLY 8 40.282 9.658 3.006
78 HA2 GLY 8 HA1 GLY 8 38.714 11.726 1.865
79 HA3 GLY 8 HA2 GLY 8 39.089 12.201 3.532
80 H VAL 9 HN VAL 9 39.985 13.821 1.621
81 HA VAL 9 HA VAL 9 42.932 13.433 1.811
82 HB VAL 9 HB VAL 9 42.957 14.281 -0.734
83 HG11 VAL 9 HG11 VAL 9 42.387 11.396 0.082
84 HG12 VAL 9 HG12 VAL 9 43.983 12.181 0.008
85 HG13 VAL 9 HG13 VAL 9 43.059 11.899 -1.487
86 HG21 VAL 9 HG21 VAL 9 40.420 12.588 -0.730
87 HG22 VAL 9 HG22 VAL 9 41.113 13.538 -2.067
88 HG23 VAL 9 HG23 VAL 9 40.366 14.365 -0.681
89 H LYS 10 HN LYS 10 41.594 15.645 -0.517
90 HA LYS 10 HA LYS 10 41.172 17.852 1.323
91 HB2 LYS 10 HB2 LYS 10 43.716 17.514 1.342
92 HB3 LYS 10 HB1 LYS 10 43.699 18.032 -0.360
93 HG2 LYS 10 HG2 LYS 10 42.515 20.141 0.362
94 HG3 LYS 10 HG1 LYS 10 42.737 19.630 2.054
95 HD2 LYS 10 HD2 LYS 10 45.210 19.505 1.638
96 HD3 LYS 10 HD1 LYS 10 44.931 20.161 0.006
97 HE2 LYS 10 HE2 LYS 10 45.541 21.994 1.509
98 HE3 LYS 10 HE1 LYS 10 43.832 22.164 1.047
99 HZ1 LYS 10 HZ1 LYS 10 44.156 20.526 3.366
100 HZ2 LYS 10 HZ2 LYS 10 43.201 21.914 3.148
101 HZ3 LYS 10 HZ3 LYS 10 44.833 22.063 3.600
102 H ILE 11 HN ILE 11 41.501 16.428 -1.813
103 HA ILE 11 HA ILE 11 40.285 18.860 -3.126
104 HB ILE 11 HB ILE 11 41.565 16.467 -4.488
105 HG12 ILE 11 HG12 ILE 11 42.834 19.089 -3.571
106 HG13 ILE 11 HG11 ILE 11 43.247 17.454 -3.005
107 HG21 ILE 11 HG21 ILE 11 41.645 17.898 -6.419
108 HG22 ILE 11 HG22 ILE 11 41.263 19.344 -5.454
109 HG23 ILE 11 HG23 ILE 11 40.016 18.108 -5.740
110 HD11 ILE 11 HD1 ILE 11 43.758 18.701 -5.727
111 HD12 ILE 11 HD2 ILE 11 43.760 16.933 -5.507
112 HD13 ILE 11 HD3 ILE 11 44.922 17.945 -4.616
113 H ILE 12 HN ILE 12 40.170 15.269 -3.071
114 HA ILE 12 HA ILE 12 37.480 15.354 -4.365
115 HB ILE 12 HB ILE 12 39.247 13.007 -3.581
116 HG12 ILE 12 HG12 ILE 12 40.442 14.362 -5.196
117 HG13 ILE 12 HG11 ILE 12 39.831 12.921 -6.035
118 HG21 ILE 12 HG21 ILE 12 36.600 13.258 -5.036
119 HG22 ILE 12 HG22 ILE 12 37.152 12.018 -3.892
120 HG23 ILE 12 HG23 ILE 12 37.730 11.991 -5.570
121 HD11 ILE 12 HD1 ILE 12 37.779 14.437 -6.651
122 HD12 ILE 12 HD2 ILE 12 39.304 14.678 -7.525
123 HD13 ILE 12 HD3 ILE 12 38.849 15.787 -6.214
124 H GLY 13 HN GLY 13 38.229 12.645 -2.295
125 HA2 GLY 13 HA1 GLY 13 35.865 12.796 -0.777
126 HA3 GLY 13 HA2 GLY 13 37.362 12.002 -0.243
127 H GLY 14 HN GLY 14 38.526 14.785 -0.890
128 HA2 GLY 14 HA1 GLY 14 38.405 15.798 1.878
129 HA3 GLY 14 HA2 GLY 14 39.404 16.411 0.547
130 H ALA 15 HN ALA 15 37.603 16.948 -1.473
131 HA ALA 15 HA ALA 15 36.218 19.308 -0.279
132 HB1 ALA 15 HB1 ALA 15 36.131 18.364 -3.163
133 HB2 ALA 15 HB2 ALA 15 37.461 19.349 -2.501
134 HB3 ALA 15 HB3 ALA 15 35.803 19.990 -2.526
135 H ALA 16 HN ALA 16 35.508 16.446 0.268
136 HA ALA 16 HA ALA 16 33.490 15.475 0.881
137 HB1 ALA 16 HB1 ALA 16 31.434 16.546 0.639
138 HB2 ALA 16 HB2 ALA 16 31.859 17.256 -0.935
139 HB3 ALA 16 HB3 ALA 16 32.549 17.928 0.560
140 H LEU 17 HN LEU 17 35.239 14.611 -1.195
141 HA LEU 17 HA LEU 17 35.218 13.149 -3.015
142 HB2 LEU 17 HB2 LEU 17 33.586 12.059 -1.245
143 HB3 LEU 17 HB1 LEU 17 32.315 12.515 -2.401
144 HG LEU 17 HG LEU 17 33.942 11.328 -4.175
145 HD11 LEU 17 HD11 LEU 17 34.616 9.749 -1.656
146 HD12 LEU 17 HD12 LEU 17 35.709 10.978 -2.328
147 HD13 LEU 17 HD13 LEU 17 35.283 9.546 -3.292
148 HD21 LEU 17 HD21 LEU 17 31.633 10.588 -3.573
149 HD22 LEU 17 HD22 LEU 17 32.293 9.720 -2.167
150 HD23 LEU 17 HD23 LEU 17 32.732 9.210 -3.814
151 H ASP 18 HN ASP 18 33.983 15.989 -3.186
152 HA ASP 18 HA ASP 18 32.950 17.278 -4.819
153 HB2 ASP 18 HB2 ASP 18 34.021 14.975 -6.491
154 HB3 ASP 18 HB1 ASP 18 33.269 16.423 -7.202
155 H HIS 19 HN HIS 19 31.477 14.978 -3.438
156 HA HIS 19 HA HIS 19 29.344 14.079 -3.502
157 HB2 HIS 19 HB2 HIS 19 28.747 16.149 -5.647
158 HB3 HIS 19 HB1 HIS 19 27.607 15.393 -4.509
159 HD1 HIS 19 HD1 HIS 19 28.306 18.556 -4.781
160 HD2 HIS 19 HD2 HIS 19 29.611 15.895 -1.797
161 HE1 HIS 19 HE1 HIS 19 28.955 19.954 -2.743
162 H LEU 20 HN LEU 20 30.787 12.341 -4.650
163 HA LEU 20 HA LEU 20 29.152 11.317 -6.834
164 HB2 LEU 20 HB2 LEU 20 30.438 12.821 -8.211
165 HB3 LEU 20 HB1 LEU 20 31.956 12.344 -7.422
166 HG LEU 20 HG LEU 20 31.868 10.132 -8.412
167 HD11 LEU 20 HD11 LEU 20 29.052 10.958 -9.221
168 HD12 LEU 20 HD12 LEU 20 29.564 9.522 -8.302
169 HD13 LEU 20 HD13 LEU 20 29.911 9.631 -10.042
170 HD21 LEU 20 HD21 LEU 20 31.884 10.706 -10.827
171 HD22 LEU 20 HD22 LEU 20 32.710 11.951 -9.860
172 HD23 LEU 20 HD23 LEU 20 31.060 12.241 -10.464
Start of MODEL 29
1 H1 TRP 1 HT1 TRP 1 29.549 14.755 12.936
2 H2 TRP 1 HT2 TRP 1 28.626 15.320 11.626
3 H3 TRP 1 HT3 TRP 1 28.355 15.931 13.188
4 HA TRP 1 HA TRP 1 30.460 16.522 11.277
5 HB2 TRP 1 HB2 TRP 1 30.160 18.787 12.381
6 HB3 TRP 1 HB1 TRP 1 28.716 18.153 11.555
7 HD1 TRP 1 HD1 TRP 1 30.078 19.044 14.974
8 HE1 TRP 1 HE1 TRP 1 28.203 18.846 16.765
9 HE3 TRP 1 HE3 TRP 1 26.472 16.791 12.123
10 HZ2 TRP 1 HZ2 TRP 1 25.511 17.839 16.908
11 HZ3 TRP 1 HZ3 TRP 1 24.257 16.221 13.108
12 HH2 TRP 1 HH2 TRP 1 23.774 16.743 15.495
13 H LEU 2 HN LEU 2 32.439 15.834 11.826
14 HA LEU 2 HA LEU 2 33.224 15.556 14.640
15 HB2 LEU 2 HB2 LEU 2 35.052 15.452 12.219
16 HB3 LEU 2 HB1 LEU 2 35.259 14.656 13.797
17 HG LEU 2 HG LEU 2 33.119 14.032 11.713
18 HD11 LEU 2 HD11 LEU 2 35.369 13.173 11.164
19 HD12 LEU 2 HD12 LEU 2 34.285 11.837 11.621
20 HD13 LEU 2 HD13 LEU 2 35.495 12.440 12.780
21 HD21 LEU 2 HD21 LEU 2 32.070 13.675 13.828
22 HD22 LEU 2 HD22 LEU 2 33.568 13.055 14.564
23 HD23 LEU 2 HD23 LEU 2 32.689 12.074 13.368
24 H ARG 3 HN ARG 3 34.885 17.261 11.978
25 HA ARG 3 HA ARG 3 34.987 19.759 13.554
26 HB2 ARG 3 HB2 ARG 3 37.005 17.961 14.045
27 HB3 ARG 3 HB1 ARG 3 37.701 18.806 12.650
28 HG2 ARG 3 HG2 ARG 3 36.673 20.123 15.212
29 HG3 ARG 3 HG1 ARG 3 38.381 19.874 14.784
30 HD2 ARG 3 HD2 ARG 3 36.352 21.692 13.439
31 HD3 ARG 3 HD1 ARG 3 37.905 22.135 14.181
32 HE ARG 3 HE ARG 3 37.531 21.024 11.483
33 HH11 ARG 3 HH11 ARG 3 39.612 19.327 12.822
34 HH12 ARG 3 HH12 ARG 3 41.068 20.197 12.467
35 HH21 ARG 3 HH21 ARG 3 39.423 23.120 11.587
36 HH22 ARG 3 HH22 ARG 3 40.961 22.343 11.766
37 H ARG 4 HN ARG 4 35.367 17.804 10.738
38 HA ARG 4 HA ARG 4 35.399 20.275 9.016
39 HB2 ARG 4 HB2 ARG 4 36.937 17.674 8.632
40 HB3 ARG 4 HB1 ARG 4 36.711 18.894 7.356
41 HG2 ARG 4 HG2 ARG 4 37.797 20.601 8.781
42 HG3 ARG 4 HG1 ARG 4 38.015 19.390 10.069
43 HD2 ARG 4 HD2 ARG 4 40.101 19.534 8.841
44 HD3 ARG 4 HD1 ARG 4 39.326 17.989 8.411
45 HE ARG 4 HE ARG 4 39.106 18.796 6.203
46 HH11 ARG 4 HH11 ARG 4 38.997 20.431 4.635
47 HH12 ARG 4 HH12 ARG 4 39.430 22.050 5.070
48 HH21 ARG 4 HH21 ARG 4 39.949 21.299 8.414
49 HH22 ARG 4 HH22 ARG 4 39.968 22.542 7.208
50 H ILE 5 HN ILE 5 33.733 17.625 10.114
51 HA ILE 5 HA ILE 5 31.863 16.509 9.321
52 HB ILE 5 HB ILE 5 31.720 18.566 7.076
53 HG12 ILE 5 HG12 ILE 5 30.814 18.806 9.983
54 HG13 ILE 5 HG11 ILE 5 32.085 19.767 9.193
55 HG21 ILE 5 HG21 ILE 5 29.484 17.238 8.660
56 HG22 ILE 5 HG22 ILE 5 30.167 16.511 7.187
57 HG23 ILE 5 HG23 ILE 5 29.372 18.100 7.107
58 HD11 ILE 5 HD1 ILE 5 29.089 19.822 8.700
59 HD12 ILE 5 HD2 ILE 5 30.236 20.452 7.490
60 HD13 ILE 5 HD3 ILE 5 30.171 21.171 9.117
61 H GLY 6 HN GLY 6 32.874 14.612 8.702
62 HA2 GLY 6 HA1 GLY 6 33.520 12.967 7.213
63 HA3 GLY 6 HA2 GLY 6 32.626 13.868 5.974
64 H LYS 7 HN LYS 7 35.703 14.006 7.819
65 HA LYS 7 HA LYS 7 37.050 15.611 5.838
66 HB2 LYS 7 HB2 LYS 7 39.133 14.771 7.040
67 HB3 LYS 7 HB1 LYS 7 37.921 15.568 8.071
68 HG2 LYS 7 HG2 LYS 7 37.097 13.465 8.895
69 HG3 LYS 7 HG1 LYS 7 38.001 12.552 7.663
70 HD2 LYS 7 HD2 LYS 7 39.108 12.462 9.898
71 HD3 LYS 7 HD1 LYS 7 40.135 13.233 8.668
72 HE2 LYS 7 HE2 LYS 7 39.937 14.395 10.993
73 HE3 LYS 7 HE1 LYS 7 39.757 15.407 9.541
74 HZ1 LYS 7 HZ1 LYS 7 37.559 14.259 11.192
75 HZ2 LYS 7 HZ2 LYS 7 37.332 15.118 9.745
76 HZ3 LYS 7 HZ3 LYS 7 38.008 15.892 11.099
77 H GLY 8 HN GLY 8 39.191 14.727 4.837
78 HA2 GLY 8 HA1 GLY 8 39.259 11.960 4.048
79 HA3 GLY 8 HA2 GLY 8 38.503 12.940 2.776
80 H VAL 9 HN VAL 9 40.087 12.722 1.253
81 HA VAL 9 HA VAL 9 42.884 12.974 1.780
82 HB VAL 9 HB VAL 9 41.359 13.557 -0.800
83 HG11 VAL 9 HG11 VAL 9 43.618 12.945 -1.814
84 HG12 VAL 9 HG12 VAL 9 44.304 13.072 -0.177
85 HG13 VAL 9 HG13 VAL 9 43.582 14.501 -0.954
86 HG21 VAL 9 HG21 VAL 9 42.028 11.220 -1.363
87 HG22 VAL 9 HG22 VAL 9 40.962 11.283 0.062
88 HG23 VAL 9 HG23 VAL 9 42.712 11.040 0.270
89 H LYS 10 HN LYS 10 41.442 15.296 -0.472
90 HA LYS 10 HA LYS 10 41.727 17.605 1.233
91 HB2 LYS 10 HB2 LYS 10 44.134 17.071 1.023
92 HB3 LYS 10 HB1 LYS 10 43.986 17.106 -0.750
93 HG2 LYS 10 HG2 LYS 10 43.410 19.459 -0.730
94 HG3 LYS 10 HG1 LYS 10 43.275 19.463 1.046
95 HD2 LYS 10 HD2 LYS 10 45.684 18.916 1.232
96 HD3 LYS 10 HD1 LYS 10 45.819 18.911 -0.543
97 HE2 LYS 10 HE2 LYS 10 46.562 21.081 0.206
98 HE3 LYS 10 HE1 LYS 10 44.949 21.308 -0.510
99 HZ1 LYS 10 HZ1 LYS 10 45.417 20.883 2.397
100 HZ2 LYS 10 HZ2 LYS 10 43.971 21.354 1.639
101 HZ3 LYS 10 HZ3 LYS 10 45.296 22.417 1.683
102 H ILE 11 HN ILE 11 41.472 16.074 -1.903
103 HA ILE 11 HA ILE 11 40.290 18.600 -3.061
104 HB ILE 11 HB ILE 11 41.214 16.149 -4.604
105 HG12 ILE 11 HG12 ILE 11 42.796 18.641 -3.820
106 HG13 ILE 11 HG11 ILE 11 43.138 16.968 -3.318
107 HG21 ILE 11 HG21 ILE 11 41.162 17.613 -6.502
108 HG22 ILE 11 HG22 ILE 11 41.029 19.063 -5.477
109 HG23 ILE 11 HG23 ILE 11 39.656 17.939 -5.614
110 HD11 ILE 11 HD1 ILE 11 43.407 18.208 -6.078
111 HD12 ILE 11 HD2 ILE 11 43.297 16.443 -5.864
112 HD13 ILE 11 HD3 ILE 11 44.636 17.349 -5.122
113 H ILE 12 HN ILE 12 39.950 15.017 -3.084
114 HA ILE 12 HA ILE 12 37.152 15.291 -4.040
115 HB ILE 12 HB ILE 12 38.781 12.830 -3.305
116 HG12 ILE 12 HG12 ILE 12 39.927 13.989 -5.092
117 HG13 ILE 12 HG11 ILE 12 39.100 12.590 -5.804
118 HG21 ILE 12 HG21 ILE 12 36.997 11.865 -5.085
119 HG22 ILE 12 HG22 ILE 12 36.036 13.252 -4.520
120 HG23 ILE 12 HG23 ILE 12 36.588 12.023 -3.364
121 HD11 ILE 12 HD1 ILE 12 38.591 14.333 -7.313
122 HD12 ILE 12 HD2 ILE 12 38.395 15.533 -6.017
123 HD13 ILE 12 HD3 ILE 12 37.149 14.291 -6.277
124 H GLY 13 HN GLY 13 37.878 12.624 -1.900
125 HA2 GLY 13 HA1 GLY 13 35.678 13.051 -0.193
126 HA3 GLY 13 HA2 GLY 13 37.146 12.152 0.252
127 H GLY 14 HN GLY 14 38.459 14.786 -0.659
128 HA2 GLY 14 HA1 GLY 14 38.740 15.939 2.029
129 HA3 GLY 14 HA2 GLY 14 39.596 16.428 0.549
130 H ALA 15 HN ALA 15 37.601 17.012 -1.254
131 HA ALA 15 HA ALA 15 36.469 19.471 0.030
132 HB1 ALA 15 HB1 ALA 15 36.073 18.520 -2.826
133 HB2 ALA 15 HB2 ALA 15 37.505 19.443 -2.298
134 HB3 ALA 15 HB3 ALA 15 35.883 20.163 -2.174
135 H ALA 16 HN ALA 16 35.673 16.754 0.803
136 HA ALA 16 HA ALA 16 33.696 15.819 1.544
137 HB1 ALA 16 HB1 ALA 16 32.008 17.740 -0.070
138 HB2 ALA 16 HB2 ALA 16 32.867 18.314 1.377
139 HB3 ALA 16 HB3 ALA 16 31.679 16.998 1.513
140 H LEU 17 HN LEU 17 35.153 14.849 -0.665
141 HA LEU 17 HA LEU 17 34.858 13.322 -2.396
142 HB2 LEU 17 HB2 LEU 17 33.065 12.527 -0.639
143 HB3 LEU 17 HB1 LEU 17 31.889 13.196 -1.787
144 HG LEU 17 HG LEU 17 33.298 11.753 -3.571
145 HD11 LEU 17 HD11 LEU 17 33.732 10.229 -0.960
146 HD12 LEU 17 HD12 LEU 17 35.010 11.034 -1.898
147 HD13 LEU 17 HD13 LEU 17 34.134 9.652 -2.593
148 HD21 LEU 17 HD21 LEU 17 31.344 10.506 -1.582
149 HD22 LEU 17 HD22 LEU 17 31.736 9.861 -3.193
150 HD23 LEU 17 HD23 LEU 17 30.900 11.425 -3.040
151 H ASP 18 HN ASP 18 33.893 16.357 -2.482
152 HA ASP 18 HA ASP 18 33.170 17.792 -4.151
153 HB2 ASP 18 HB2 ASP 18 34.951 16.516 -5.409
154 HB3 ASP 18 HB1 ASP 18 33.660 15.465 -6.042
155 H HIS 19 HN HIS 19 31.447 15.238 -3.136
156 HA HIS 19 HA HIS 19 28.994 16.207 -4.447
157 HB2 HIS 19 HB2 HIS 19 29.839 13.301 -4.802
158 HB3 HIS 19 HB1 HIS 19 28.332 14.053 -5.378
159 HD1 HIS 19 HD1 HIS 19 31.972 13.650 -6.167
160 HD2 HIS 19 HD2 HIS 19 28.729 15.947 -7.548
161 HE1 HIS 19 HE1 HIS 19 32.653 14.654 -8.415
162 H LEU 20 HN LEU 20 30.796 14.638 -2.027
163 HA LEU 20 HA LEU 20 30.219 13.740 0.030
164 HB2 LEU 20 HB2 LEU 20 29.423 15.980 0.468
165 HB3 LEU 20 HB1 LEU 20 27.915 15.678 -0.421
166 HG LEU 20 HG LEU 20 27.143 14.118 1.272
167 HD11 LEU 20 HD11 LEU 20 29.978 14.393 2.344
168 HD12 LEU 20 HD12 LEU 20 29.091 12.908 1.920
169 HD13 LEU 20 HD13 LEU 20 28.643 13.823 3.376
170 HD21 LEU 20 HD21 LEU 20 26.852 16.542 1.737
171 HD22 LEU 20 HD22 LEU 20 28.411 16.558 2.595
172 HD23 LEU 20 HD23 LEU 20 27.050 15.609 3.240
Start of MODEL 30
1 H1 TRP 1 HT1 TRP 1 46.950 5.776 7.541
2 H2 TRP 1 HT2 TRP 1 45.595 5.962 6.532
3 H3 TRP 1 HT3 TRP 1 45.602 6.647 8.087
4 HA TRP 1 HA TRP 1 46.307 8.501 7.218
5 HB2 TRP 1 HB2 TRP 1 48.732 6.836 6.433
6 HB3 TRP 1 HB1 TRP 1 48.680 8.608 6.580
7 HD1 TRP 1 HD1 TRP 1 48.663 5.407 8.656
8 HE1 TRP 1 HE1 TRP 1 49.098 5.976 11.155
9 HE3 TRP 1 HE3 TRP 1 48.418 10.513 8.374
10 HZ2 TRP 1 HZ2 TRP 1 49.304 8.345 12.781
11 HZ3 TRP 1 HZ3 TRP 1 48.738 11.907 10.412
12 HH2 TRP 1 HH2 TRP 1 49.179 10.828 12.613
13 H LEU 2 HN LEU 2 47.258 9.629 5.190
14 HA LEU 2 HA LEU 2 45.549 8.961 2.984
15 HB2 LEU 2 HB2 LEU 2 48.024 10.733 3.152
16 HB3 LEU 2 HB1 LEU 2 46.959 10.636 1.734
17 HG LEU 2 HG LEU 2 45.020 11.198 3.385
18 HD11 LEU 2 HD11 LEU 2 47.462 11.879 5.074
19 HD12 LEU 2 HD12 LEU 2 46.019 10.947 5.535
20 HD13 LEU 2 HD13 LEU 2 45.902 12.702 5.302
21 HD21 LEU 2 HD21 LEU 2 45.889 12.757 1.666
22 HD22 LEU 2 HD22 LEU 2 47.173 13.277 2.784
23 HD23 LEU 2 HD23 LEU 2 45.468 13.628 3.160
24 H ARG 3 HN ARG 3 48.379 7.559 4.086
25 HA ARG 3 HA ARG 3 49.669 5.842 3.232
26 HB2 ARG 3 HB2 ARG 3 47.426 5.202 2.082
27 HB3 ARG 3 HB1 ARG 3 48.124 5.926 0.615
28 HG2 ARG 3 HG2 ARG 3 50.069 4.415 0.768
29 HG3 ARG 3 HG1 ARG 3 49.411 3.700 2.259
30 HD2 ARG 3 HD2 ARG 3 47.861 3.728 -0.362
31 HD3 ARG 3 HD1 ARG 3 48.956 2.400 0.094
32 HE ARG 3 HE ARG 3 47.012 3.029 2.183
33 HH11 ARG 3 HH11 ARG 3 46.072 2.293 -0.824
34 HH12 ARG 3 HH12 ARG 3 45.558 0.669 -0.520
35 HH21 ARG 3 HH21 ARG 3 47.018 0.510 2.620
36 HH22 ARG 3 HH22 ARG 3 46.093 -0.342 1.429
37 H ARG 4 HN ARG 4 48.841 7.800 0.315
38 HA ARG 4 HA ARG 4 51.625 7.803 -0.537
39 HB2 ARG 4 HB2 ARG 4 49.525 7.945 -2.017
40 HB3 ARG 4 HB1 ARG 4 49.417 9.650 -1.522
41 HG2 ARG 4 HG2 ARG 4 51.625 10.116 -2.445
42 HG3 ARG 4 HG1 ARG 4 51.887 8.391 -2.797
43 HD2 ARG 4 HD2 ARG 4 49.888 8.450 -4.320
44 HD3 ARG 4 HD1 ARG 4 49.778 10.205 -4.044
45 HE ARG 4 HE ARG 4 51.484 10.417 -5.648
46 HH11 ARG 4 HH11 ARG 4 51.050 7.251 -5.840
47 HH12 ARG 4 HH12 ARG 4 52.712 6.772 -5.931
48 HH21 ARG 4 HH21 ARG 4 53.933 9.874 -4.975
49 HH22 ARG 4 HH22 ARG 4 54.344 8.257 -5.441
50 H ILE 5 HN ILE 5 49.921 9.499 1.822
51 HA ILE 5 HA ILE 5 50.431 11.378 3.075
52 HB ILE 5 HB ILE 5 53.207 11.310 1.818
53 HG12 ILE 5 HG12 ILE 5 52.065 9.626 4.096
54 HG13 ILE 5 HG11 ILE 5 52.639 9.025 2.522
55 HG21 ILE 5 HG21 ILE 5 52.358 11.992 4.664
56 HG22 ILE 5 HG22 ILE 5 52.426 13.214 3.372
57 HG23 ILE 5 HG23 ILE 5 53.905 12.354 3.860
58 HD11 ILE 5 HD1 ILE 5 54.257 10.217 4.800
59 HD12 ILE 5 HD2 ILE 5 54.905 10.153 3.142
60 HD13 ILE 5 HD3 ILE 5 54.470 8.649 3.988
61 H GLY 6 HN GLY 6 48.924 12.167 1.163
62 HA2 GLY 6 HA1 GLY 6 49.508 14.841 0.662
63 HA3 GLY 6 HA2 GLY 6 50.165 13.974 -0.741
64 H LYS 7 HN LYS 7 48.623 12.345 -1.759
65 HA LYS 7 HA LYS 7 46.030 13.760 -2.174
66 HB2 LYS 7 HB2 LYS 7 47.404 13.100 -4.132
67 HB3 LYS 7 HB1 LYS 7 47.272 11.396 -3.637
68 HG2 LYS 7 HG2 LYS 7 44.905 11.365 -3.999
69 HG3 LYS 7 HG1 LYS 7 44.822 13.138 -4.119
70 HD2 LYS 7 HD2 LYS 7 44.687 12.006 -6.353
71 HD3 LYS 7 HD1 LYS 7 46.080 13.103 -6.216
72 HE2 LYS 7 HE2 LYS 7 46.365 10.150 -5.560
73 HE3 LYS 7 HE1 LYS 7 46.472 10.729 -7.238
74 HZ1 LYS 7 HZ1 LYS 7 48.376 10.958 -5.114
75 HZ2 LYS 7 HZ2 LYS 7 48.032 12.468 -5.814
76 HZ3 LYS 7 HZ3 LYS 7 48.584 11.184 -6.782
77 H GLY 8 HN GLY 8 44.239 13.153 -1.176
78 HA2 GLY 8 HA1 GLY 8 43.587 10.331 -0.834
79 HA3 GLY 8 HA2 GLY 8 43.989 11.132 0.699
80 H VAL 9 HN VAL 9 42.877 13.407 0.889
81 HA VAL 9 HA VAL 9 40.179 13.479 -0.320
82 HB VAL 9 HB VAL 9 39.037 13.578 1.902
83 HG11 VAL 9 HG11 VAL 9 39.249 11.451 0.477
84 HG12 VAL 9 HG12 VAL 9 38.891 11.202 2.202
85 HG13 VAL 9 HG13 VAL 9 40.543 10.949 1.591
86 HG21 VAL 9 HG21 VAL 9 40.310 12.571 3.852
87 HG22 VAL 9 HG22 VAL 9 40.899 14.171 3.338
88 HG23 VAL 9 HG23 VAL 9 41.791 12.702 2.872
89 H LYS 10 HN LYS 10 42.735 15.075 -0.068
90 HA LYS 10 HA LYS 10 42.063 17.377 1.595
91 HB2 LYS 10 HB2 LYS 10 44.400 16.632 0.896
92 HB3 LYS 10 HB1 LYS 10 44.025 17.257 -0.727
93 HG2 LYS 10 HG2 LYS 10 43.534 19.492 0.275
94 HG3 LYS 10 HG1 LYS 10 44.000 18.856 1.871
95 HD2 LYS 10 HD2 LYS 10 46.263 18.430 1.117
96 HD3 LYS 10 HD1 LYS 10 45.828 18.815 -0.564
97 HE2 LYS 10 HE2 LYS 10 47.011 20.696 0.642
98 HE3 LYS 10 HE1 LYS 10 45.408 21.139 0.010
99 HZ1 LYS 10 HZ1 LYS 10 45.637 20.083 2.750
100 HZ2 LYS 10 HZ2 LYS 10 44.492 21.156 2.097
101 HZ3 LYS 10 HZ3 LYS 10 46.062 21.698 2.454
102 H ILE 11 HN ILE 11 41.274 16.256 -1.578
103 HA ILE 11 HA ILE 11 39.862 18.857 -2.154
104 HB ILE 11 HB ILE 11 41.228 17.145 -4.261
105 HG12 ILE 11 HG12 ILE 11 42.258 19.633 -2.824
106 HG13 ILE 11 HG11 ILE 11 42.968 18.004 -2.762
107 HG21 ILE 11 HG21 ILE 11 40.806 19.004 -5.723
108 HG22 ILE 11 HG22 ILE 11 40.391 20.074 -4.363
109 HG23 ILE 11 HG23 ILE 11 39.292 18.753 -4.826
110 HD11 ILE 11 HD1 ILE 11 42.882 19.943 -5.098
111 HD12 ILE 11 HD2 ILE 11 43.160 18.201 -5.352
112 HD13 ILE 11 HD3 ILE 11 44.295 19.151 -4.363
113 H ILE 12 HN ILE 12 40.184 15.360 -2.628
114 HA ILE 12 HA ILE 12 37.677 15.099 -4.095
115 HB ILE 12 HB ILE 12 39.344 13.091 -2.547
116 HG12 ILE 12 HG12 ILE 12 39.268 13.575 -5.563
117 HG13 ILE 12 HG11 ILE 12 40.464 14.337 -4.490
118 HG21 ILE 12 HG21 ILE 12 37.138 12.158 -2.879
119 HG22 ILE 12 HG22 ILE 12 38.162 11.438 -4.136
120 HG23 ILE 12 HG23 ILE 12 37.060 12.771 -4.545
121 HD11 ILE 12 HD1 ILE 12 41.643 12.439 -5.198
122 HD12 ILE 12 HD2 ILE 12 40.187 11.426 -5.279
123 HD13 ILE 12 HD3 ILE 12 40.909 11.823 -3.702
124 H GLY 13 HN GLY 13 38.361 13.186 -1.191
125 HA2 GLY 13 HA1 GLY 13 35.687 13.459 -0.184
126 HA3 GLY 13 HA2 GLY 13 37.102 12.882 0.727
127 H GLY 14 HN GLY 14 38.166 15.531 -0.647
128 HA2 GLY 14 HA1 GLY 14 37.862 17.192 1.786
129 HA3 GLY 14 HA2 GLY 14 38.868 17.539 0.360
130 H ALA 15 HN ALA 15 36.990 17.271 -1.700
131 HA ALA 15 HA ALA 15 35.412 19.773 -1.231
132 HB1 ALA 15 HB1 ALA 15 35.727 18.066 -3.734
133 HB2 ALA 15 HB2 ALA 15 36.703 19.503 -3.341
134 HB3 ALA 15 HB3 ALA 15 34.956 19.665 -3.634
135 H ALA 16 HN ALA 16 34.918 17.218 0.123
136 HA ALA 16 HA ALA 16 33.018 16.134 0.871
137 HB1 ALA 16 HB1 ALA 16 31.862 18.351 0.037
138 HB2 ALA 16 HB2 ALA 16 30.870 16.911 0.360
139 HB3 ALA 16 HB3 ALA 16 31.300 17.338 -1.311
140 H LEU 17 HN LEU 17 34.910 15.063 -0.999
141 HA LEU 17 HA LEU 17 35.086 13.269 -2.473
142 HB2 LEU 17 HB2 LEU 17 33.450 12.461 -0.479
143 HB3 LEU 17 HB1 LEU 17 32.300 12.305 -1.822
144 HG LEU 17 HG LEU 17 35.085 11.038 -1.761
145 HD11 LEU 17 HD11 LEU 17 32.339 9.776 -1.354
146 HD12 LEU 17 HD12 LEU 17 33.521 10.090 -0.060
147 HD13 LEU 17 HD13 LEU 17 33.904 8.928 -1.352
148 HD21 LEU 17 HD21 LEU 17 32.701 10.769 -3.649
149 HD22 LEU 17 HD22 LEU 17 34.129 9.709 -3.678
150 HD23 LEU 17 HD23 LEU 17 34.302 11.441 -4.042
151 H ASP 18 HN ASP 18 34.430 15.571 -3.739
152 HA ASP 18 HA ASP 18 33.413 16.441 -5.640
153 HB2 ASP 18 HB2 ASP 18 33.263 13.521 -6.475
154 HB3 ASP 18 HB1 ASP 18 33.331 14.946 -7.540
155 H HIS 19 HN HIS 19 31.645 15.684 -3.389
156 HA HIS 19 HA HIS 19 29.374 15.479 -2.956
157 HB2 HIS 19 HB2 HIS 19 29.250 16.639 -5.767
158 HB3 HIS 19 HB1 HIS 19 27.855 16.507 -4.669
159 HD1 HIS 19 HD1 HIS 19 30.608 18.727 -5.579
160 HD2 HIS 19 HD2 HIS 19 28.339 17.994 -2.117
161 HE1 HIS 19 HE1 HIS 19 30.974 20.700 -3.997
162 H LEU 20 HN LEU 20 30.229 13.065 -3.308
163 HA LEU 20 HA LEU 20 29.706 10.931 -4.058
164 HB2 LEU 20 HB2 LEU 20 27.047 12.374 -4.293
165 HB3 LEU 20 HB1 LEU 20 27.195 10.648 -4.672
166 HG LEU 20 HG LEU 20 26.458 11.237 -2.287
167 HD11 LEU 20 HD11 LEU 20 27.559 9.374 -1.329
168 HD12 LEU 20 HD12 LEU 20 29.041 9.630 -2.270
169 HD13 LEU 20 HD13 LEU 20 27.576 9.022 -3.068
170 HD21 LEU 20 HD21 LEU 20 28.097 12.006 -0.698
171 HD22 LEU 20 HD22 LEU 20 28.130 13.138 -2.068
172 HD23 LEU 20 HD23 LEU 20 29.407 11.911 -1.897
Start of MODEL 31
1 H1 TRP 1 HT1 TRP 1 36.108 22.787 14.479
2 H2 TRP 1 HT2 TRP 1 36.346 21.569 15.641
3 H3 TRP 1 HT3 TRP 1 34.803 22.243 15.415
4 HA TRP 1 HA TRP 1 34.916 20.088 14.425
5 HB2 TRP 1 HB2 TRP 1 34.931 22.263 12.299
6 HB3 TRP 1 HB1 TRP 1 34.082 20.700 12.240
7 HD1 TRP 1 HD1 TRP 1 32.299 20.362 14.433
8 HE1 TRP 1 HE1 TRP 1 30.567 22.072 15.347
9 HE3 TRP 1 HE3 TRP 1 34.332 24.662 12.537
10 HZ2 TRP 1 HZ2 TRP 1 30.149 24.919 15.248
11 HZ3 TRP 1 HZ3 TRP 1 33.248 26.864 12.960
12 HH2 TRP 1 HH2 TRP 1 31.160 26.996 14.313
13 H LEU 2 HN LEU 2 35.763 18.731 12.721
14 HA LEU 2 HA LEU 2 38.666 18.849 12.638
15 HB2 LEU 2 HB2 LEU 2 36.920 17.088 10.886
16 HB3 LEU 2 HB1 LEU 2 38.546 16.756 11.529
17 HG LEU 2 HG LEU 2 35.959 16.962 13.133
18 HD11 LEU 2 HD11 LEU 2 37.858 14.647 12.544
19 HD12 LEU 2 HD12 LEU 2 36.221 14.855 11.880
20 HD13 LEU 2 HD13 LEU 2 36.445 14.569 13.623
21 HD21 LEU 2 HD21 LEU 2 37.680 17.861 14.537
22 HD22 LEU 2 HD22 LEU 2 38.876 16.673 13.967
23 HD23 LEU 2 HD23 LEU 2 37.535 16.156 15.019
24 H ARG 3 HN ARG 3 36.246 20.390 10.869
25 HA ARG 3 HA ARG 3 36.325 21.745 9.006
26 HB2 ARG 3 HB2 ARG 3 39.310 21.208 8.812
27 HB3 ARG 3 HB1 ARG 3 38.399 22.589 8.170
28 HG2 ARG 3 HG2 ARG 3 37.767 23.211 10.522
29 HG3 ARG 3 HG1 ARG 3 38.827 21.909 11.111
30 HD2 ARG 3 HD2 ARG 3 40.110 23.956 11.171
31 HD3 ARG 3 HD1 ARG 3 40.722 22.985 9.811
32 HE ARG 3 HE ARG 3 38.718 24.652 8.741
33 HH11 ARG 3 HH11 ARG 3 41.967 24.468 8.753
34 HH12 ARG 3 HH12 ARG 3 42.291 26.169 8.738
35 HH21 ARG 3 HH21 ARG 3 39.016 27.067 9.436
36 HH22 ARG 3 HH22 ARG 3 40.620 27.641 9.123
37 H ARG 4 HN ARG 4 37.890 18.586 8.838
38 HA ARG 4 HA ARG 4 37.582 18.479 5.886
39 HB2 ARG 4 HB2 ARG 4 38.628 16.500 7.948
40 HB3 ARG 4 HB1 ARG 4 38.535 16.171 6.199
41 HG2 ARG 4 HG2 ARG 4 40.014 18.056 5.718
42 HG3 ARG 4 HG1 ARG 4 40.029 18.526 7.434
43 HD2 ARG 4 HD2 ARG 4 40.977 15.813 6.423
44 HD3 ARG 4 HD1 ARG 4 42.062 17.199 6.688
45 HE ARG 4 HE ARG 4 40.890 15.522 8.766
46 HH11 ARG 4 HH11 ARG 4 41.194 16.180 10.911
47 HH12 ARG 4 HH12 ARG 4 41.941 17.709 11.232
48 HH21 ARG 4 HH21 ARG 4 42.212 18.580 7.886
49 HH22 ARG 4 HH22 ARG 4 42.517 19.068 9.520
50 H ILE 5 HN ILE 5 35.768 17.823 8.714
51 HA ILE 5 HA ILE 5 33.791 16.662 9.071
52 HB ILE 5 HB ILE 5 33.509 17.281 6.092
53 HG12 ILE 5 HG12 ILE 5 31.948 19.031 6.955
54 HG13 ILE 5 HG11 ILE 5 32.332 18.537 8.619
55 HG21 ILE 5 HG21 ILE 5 31.545 16.058 8.076
56 HG22 ILE 5 HG22 ILE 5 32.019 15.436 6.477
57 HG23 ILE 5 HG23 ILE 5 31.008 16.893 6.599
58 HD11 ILE 5 HD1 ILE 5 34.589 19.300 6.740
59 HD12 ILE 5 HD2 ILE 5 34.514 19.411 8.516
60 HD13 ILE 5 HD3 ILE 5 33.623 20.578 7.514
61 H GLY 6 HN GLY 6 34.437 14.644 9.683
62 HA2 GLY 6 HA1 GLY 6 34.572 12.341 9.502
63 HA3 GLY 6 HA2 GLY 6 33.816 12.474 7.903
64 H LYS 7 HN LYS 7 36.737 14.262 8.561
65 HA LYS 7 HA LYS 7 38.869 14.055 7.681
66 HB2 LYS 7 HB2 LYS 7 38.651 11.877 9.098
67 HB3 LYS 7 HB1 LYS 7 38.439 11.050 7.541
68 HG2 LYS 7 HG2 LYS 7 40.765 10.894 7.781
69 HG3 LYS 7 HG1 LYS 7 40.648 12.416 6.873
70 HD2 LYS 7 HD2 LYS 7 40.750 13.685 9.021
71 HD3 LYS 7 HD1 LYS 7 40.902 12.148 9.904
72 HE2 LYS 7 HE2 LYS 7 43.128 13.111 9.571
73 HE3 LYS 7 HE1 LYS 7 42.970 11.639 8.582
74 HZ1 LYS 7 HZ1 LYS 7 43.935 13.675 7.458
75 HZ2 LYS 7 HZ2 LYS 7 42.372 14.340 7.508
76 HZ3 LYS 7 HZ3 LYS 7 42.660 12.903 6.648
77 H GLY 8 HN GLY 8 40.026 13.789 5.714
78 HA2 GLY 8 HA1 GLY 8 38.787 12.426 3.457
79 HA3 GLY 8 HA2 GLY 8 38.596 14.187 3.376
80 H VAL 9 HN VAL 9 39.890 13.211 1.327
81 HA VAL 9 HA VAL 9 42.726 12.829 1.742
82 HB VAL 9 HB VAL 9 41.287 13.745 -0.789
83 HG11 VAL 9 HG11 VAL 9 43.698 14.080 -0.924
84 HG12 VAL 9 HG12 VAL 9 43.277 12.635 -1.873
85 HG13 VAL 9 HG13 VAL 9 43.999 12.459 -0.256
86 HG21 VAL 9 HG21 VAL 9 41.181 11.375 -1.372
87 HG22 VAL 9 HG22 VAL 9 40.391 11.614 0.205
88 HG23 VAL 9 HG23 VAL 9 42.034 10.933 0.127
89 H LYS 10 HN LYS 10 41.350 15.454 -0.259
90 HA LYS 10 HA LYS 10 42.348 17.596 1.388
91 HB2 LYS 10 HB2 LYS 10 44.538 16.627 0.614
92 HB3 LYS 10 HB1 LYS 10 44.044 16.970 -1.061
93 HG2 LYS 10 HG2 LYS 10 43.856 19.362 -0.556
94 HG3 LYS 10 HG1 LYS 10 44.230 19.055 1.158
95 HD2 LYS 10 HD2 LYS 10 46.466 18.316 0.619
96 HD3 LYS 10 HD1 LYS 10 46.107 18.320 -1.125
97 HE2 LYS 10 HE2 LYS 10 47.409 20.345 -0.308
98 HE3 LYS 10 HE1 LYS 10 45.889 20.728 -1.153
99 HZ1 LYS 10 HZ1 LYS 10 44.907 21.429 0.747
100 HZ2 LYS 10 HZ2 LYS 10 46.512 21.755 1.200
101 HZ3 LYS 10 HZ3 LYS 10 45.744 20.340 1.741
102 H ILE 11 HN ILE 11 41.220 16.274 -1.642
103 HA ILE 11 HA ILE 11 39.905 18.911 -2.258
104 HB ILE 11 HB ILE 11 41.093 17.095 -4.398
105 HG12 ILE 11 HG12 ILE 11 42.276 19.588 -3.087
106 HG13 ILE 11 HG11 ILE 11 42.941 17.940 -3.019
107 HG21 ILE 11 HG21 ILE 11 39.174 18.748 -4.886
108 HG22 ILE 11 HG22 ILE 11 40.639 18.930 -5.876
109 HG23 ILE 11 HG23 ILE 11 40.335 20.046 -4.522
110 HD11 ILE 11 HD1 ILE 11 44.204 18.996 -4.728
111 HD12 ILE 11 HD2 ILE 11 42.776 19.818 -5.400
112 HD13 ILE 11 HD3 ILE 11 42.982 18.063 -5.623
113 H ILE 12 HN ILE 12 40.105 15.406 -2.973
114 HA ILE 12 HA ILE 12 37.369 15.329 -3.996
115 HB ILE 12 HB ILE 12 39.223 13.110 -3.064
116 HG12 ILE 12 HG12 ILE 12 38.689 14.094 -5.909
117 HG13 ILE 12 HG11 ILE 12 40.084 14.610 -4.939
118 HG21 ILE 12 HG21 ILE 12 37.753 11.745 -4.696
119 HG22 ILE 12 HG22 ILE 12 36.633 13.125 -4.673
120 HG23 ILE 12 HG23 ILE 12 36.985 12.235 -3.175
121 HD11 ILE 12 HD1 ILE 12 40.446 11.951 -4.678
122 HD12 ILE 12 HD2 ILE 12 41.045 12.827 -6.102
123 HD13 ILE 12 HD3 ILE 12 39.522 11.920 -6.199
124 H GLY 13 HN GLY 13 38.416 12.956 -1.589
125 HA2 GLY 13 HA1 GLY 13 35.984 13.118 -0.094
126 HA3 GLY 13 HA2 GLY 13 37.517 12.419 0.480
127 H GLY 14 HN GLY 14 38.475 15.176 -0.593
128 HA2 GLY 14 HA1 GLY 14 38.590 16.487 2.035
129 HA3 GLY 14 HA2 GLY 14 39.368 17.025 0.530
130 H ALA 15 HN ALA 15 37.228 17.165 -1.250
131 HA ALA 15 HA ALA 15 35.803 19.542 -0.105
132 HB1 ALA 15 HB1 ALA 15 34.987 19.886 -2.370
133 HB2 ALA 15 HB2 ALA 15 35.616 18.304 -2.882
134 HB3 ALA 15 HB3 ALA 15 36.741 19.612 -2.428
135 H ALA 16 HN ALA 16 35.442 16.827 0.895
136 HA ALA 16 HA ALA 16 33.669 15.599 1.707
137 HB1 ALA 16 HB1 ALA 16 31.491 16.465 1.714
138 HB2 ALA 16 HB2 ALA 16 31.673 17.231 0.118
139 HB3 ALA 16 HB3 ALA 16 32.477 17.935 1.541
140 H LEU 17 HN LEU 17 35.186 14.833 -0.548
141 HA LEU 17 HA LEU 17 35.066 13.249 -2.250
142 HB2 LEU 17 HB2 LEU 17 33.460 12.208 -0.439
143 HB3 LEU 17 HB1 LEU 17 32.166 12.691 -1.558
144 HG LEU 17 HG LEU 17 33.714 11.460 -3.376
145 HD11 LEU 17 HD11 LEU 17 35.561 11.028 -1.717
146 HD12 LEU 17 HD12 LEU 17 34.920 9.541 -2.449
147 HD13 LEU 17 HD13 LEU 17 34.444 9.997 -0.797
148 HD21 LEU 17 HD21 LEU 17 32.512 9.299 -2.825
149 HD22 LEU 17 HD22 LEU 17 31.450 10.726 -2.878
150 HD23 LEU 17 HD23 LEU 17 31.961 10.055 -1.311
151 H ASP 18 HN ASP 18 34.827 15.759 -3.107
152 HA ASP 18 HA ASP 18 34.094 17.029 -4.894
153 HB2 ASP 18 HB2 ASP 18 34.556 14.837 -6.089
154 HB3 ASP 18 HB1 ASP 18 32.819 14.479 -5.953
155 H HIS 19 HN HIS 19 31.381 14.684 -4.884
156 HA HIS 19 HA HIS 19 29.598 16.484 -3.470
157 HB2 HIS 19 HB2 HIS 19 28.100 16.983 -5.396
158 HB3 HIS 19 HB1 HIS 19 29.696 17.753 -5.559
159 HD1 HIS 19 HD1 HIS 19 30.639 14.481 -6.204
160 HD2 HIS 19 HD2 HIS 19 28.223 17.147 -8.382
161 HE1 HIS 19 HE1 HIS 19 30.651 13.706 -8.638
162 H LEU 20 HN LEU 20 30.138 13.945 -2.872
163 HA LEU 20 HA LEU 20 27.541 12.672 -3.197
164 HB2 LEU 20 HB2 LEU 20 28.399 11.971 -5.338
165 HB3 LEU 20 HB1 LEU 20 29.967 11.524 -4.634
166 HG LEU 20 HG LEU 20 28.988 9.650 -3.447
167 HD11 LEU 20 HD11 LEU 20 26.885 10.472 -2.673
168 HD12 LEU 20 HD12 LEU 20 26.464 9.184 -3.823
169 HD13 LEU 20 HD13 LEU 20 26.348 10.890 -4.316
170 HD21 LEU 20 HD21 LEU 20 28.160 8.302 -5.322
171 HD22 LEU 20 HD22 LEU 20 29.478 9.358 -5.883
172 HD23 LEU 20 HD23 LEU 20 27.786 9.774 -6.249
Start of MODEL 32
1 H1 TRP 1 HT1 TRP 1 30.765 6.484 10.090
2 H2 TRP 1 HT2 TRP 1 31.329 5.101 9.280
3 H3 TRP 1 HT3 TRP 1 32.218 6.548 9.219
4 HA TRP 1 HA TRP 1 31.639 5.173 11.746
5 HB2 TRP 1 HB2 TRP 1 32.814 3.643 10.112
6 HB3 TRP 1 HB1 TRP 1 34.133 4.835 10.037
7 HD1 TRP 1 HD1 TRP 1 36.005 4.396 11.678
8 HE1 TRP 1 HE1 TRP 1 36.293 3.201 13.969
9 HE3 TRP 1 HE3 TRP 1 31.143 2.986 12.477
10 HZ2 TRP 1 HZ2 TRP 1 34.621 1.829 15.866
11 HZ3 TRP 1 HZ3 TRP 1 30.517 1.736 14.535
12 HH2 TRP 1 HH2 TRP 1 32.250 1.155 16.228
13 H LEU 2 HN LEU 2 33.575 5.639 13.247
14 HA LEU 2 HA LEU 2 34.640 7.304 14.463
15 HB2 LEU 2 HB2 LEU 2 35.496 7.814 11.614
16 HB3 LEU 2 HB1 LEU 2 35.985 8.977 12.864
17 HG LEU 2 HG LEU 2 36.425 6.008 13.357
18 HD11 LEU 2 HD11 LEU 2 38.243 7.828 11.716
19 HD12 LEU 2 HD12 LEU 2 37.375 6.393 11.116
20 HD13 LEU 2 HD13 LEU 2 38.677 6.210 12.315
21 HD21 LEU 2 HD21 LEU 2 36.843 7.646 15.180
22 HD22 LEU 2 HD22 LEU 2 37.960 8.538 14.119
23 HD23 LEU 2 HD23 LEU 2 38.358 6.884 14.643
24 H ARG 3 HN ARG 3 34.197 9.470 11.744
25 HA ARG 3 HA ARG 3 31.746 10.693 12.633
26 HB2 ARG 3 HB2 ARG 3 33.318 11.383 14.510
27 HB3 ARG 3 HB1 ARG 3 34.258 12.278 13.294
28 HG2 ARG 3 HG2 ARG 3 32.213 13.565 12.684
29 HG3 ARG 3 HG1 ARG 3 31.310 12.701 13.952
30 HD2 ARG 3 HD2 ARG 3 33.700 14.554 14.327
31 HD3 ARG 3 HD1 ARG 3 32.029 14.824 14.878
32 HE ARG 3 HE ARG 3 32.816 12.421 16.081
33 HH11 ARG 3 HH11 ARG 3 32.100 14.280 18.028
34 HH12 ARG 3 HH12 ARG 3 33.582 14.876 18.698
35 HH21 ARG 3 HH21 ARG 3 35.531 13.790 16.044
36 HH22 ARG 3 HH22 ARG 3 35.524 14.598 17.575
37 H ARG 4 HN ARG 4 34.717 10.564 10.889
38 HA ARG 4 HA ARG 4 33.457 11.946 8.580
39 HB2 ARG 4 HB2 ARG 4 36.084 12.822 9.853
40 HB3 ARG 4 HB1 ARG 4 35.543 13.311 8.230
41 HG2 ARG 4 HG2 ARG 4 33.422 14.205 9.301
42 HG3 ARG 4 HG1 ARG 4 34.171 13.897 10.887
43 HD2 ARG 4 HD2 ARG 4 35.268 15.711 8.695
44 HD3 ARG 4 HD1 ARG 4 34.551 16.233 10.238
45 HE ARG 4 HE ARG 4 36.749 14.435 10.730
46 HH11 ARG 4 HH11 ARG 4 38.265 15.560 12.070
47 HH12 ARG 4 HH12 ARG 4 38.729 17.161 11.598
48 HH21 ARG 4 HH21 ARG 4 36.348 17.399 9.088
49 HH22 ARG 4 HH22 ARG 4 37.643 18.202 9.910
50 H ILE 5 HN ILE 5 35.149 9.449 9.974
51 HA ILE 5 HA ILE 5 36.398 7.700 9.106
52 HB ILE 5 HB ILE 5 35.383 8.542 6.359
53 HG12 ILE 5 HG12 ILE 5 33.956 6.956 8.545
54 HG13 ILE 5 HG11 ILE 5 33.489 8.563 7.941
55 HG21 ILE 5 HG21 ILE 5 35.812 5.760 7.524
56 HG22 ILE 5 HG22 ILE 5 37.104 6.650 6.685
57 HG23 ILE 5 HG23 ILE 5 35.615 6.219 5.816
58 HD11 ILE 5 HD1 ILE 5 33.376 5.893 6.498
59 HD12 ILE 5 HD2 ILE 5 33.367 7.430 5.599
60 HD13 ILE 5 HD3 ILE 5 32.070 7.070 6.761
61 H GLY 6 HN GLY 6 38.285 9.069 9.704
62 HA2 GLY 6 HA1 GLY 6 40.436 9.743 9.189
63 HA3 GLY 6 HA2 GLY 6 40.206 9.038 7.576
64 H LYS 7 HN LYS 7 38.523 11.730 9.245
65 HA LYS 7 HA LYS 7 38.073 13.877 8.470
66 HB2 LYS 7 HB2 LYS 7 40.994 13.562 7.678
67 HB3 LYS 7 HB1 LYS 7 40.112 15.108 7.625
68 HG2 LYS 7 HG2 LYS 7 39.768 15.122 9.988
69 HG3 LYS 7 HG1 LYS 7 40.217 13.406 10.147
70 HD2 LYS 7 HD2 LYS 7 42.055 14.869 10.920
71 HD3 LYS 7 HD1 LYS 7 42.542 13.951 9.475
72 HE2 LYS 7 HE2 LYS 7 42.312 15.852 8.053
73 HE3 LYS 7 HE1 LYS 7 41.381 16.757 9.273
74 HZ1 LYS 7 HZ1 LYS 7 43.253 17.506 10.165
75 HZ2 LYS 7 HZ2 LYS 7 44.112 16.824 8.867
76 HZ3 LYS 7 HZ3 LYS 7 43.904 15.946 10.307
77 H GLY 8 HN GLY 8 40.453 13.602 5.928
78 HA2 GLY 8 HA1 GLY 8 38.706 12.684 3.841
79 HA3 GLY 8 HA2 GLY 8 38.714 14.458 3.883
80 H VAL 9 HN VAL 9 39.585 13.298 1.619
81 HA VAL 9 HA VAL 9 42.393 12.668 1.605
82 HB VAL 9 HB VAL 9 40.622 13.748 -0.636
83 HG11 VAL 9 HG11 VAL 9 42.923 14.100 -1.258
84 HG12 VAL 9 HG12 VAL 9 42.412 12.601 -2.068
85 HG13 VAL 9 HG13 VAL 9 43.411 12.524 -0.597
86 HG21 VAL 9 HG21 VAL 9 40.418 11.393 -1.283
87 HG22 VAL 9 HG22 VAL 9 39.894 11.583 0.406
88 HG23 VAL 9 HG23 VAL 9 41.500 10.905 0.044
89 H LYS 10 HN LYS 10 41.169 15.424 -0.276
90 HA LYS 10 HA LYS 10 42.507 17.451 1.285
91 HB2 LYS 10 HB2 LYS 10 44.491 16.187 0.340
92 HB3 LYS 10 HB1 LYS 10 43.935 16.666 -1.281
93 HG2 LYS 10 HG2 LYS 10 44.046 19.062 -0.588
94 HG3 LYS 10 HG1 LYS 10 44.674 18.554 0.999
95 HD2 LYS 10 HD2 LYS 10 46.581 17.414 -0.177
96 HD3 LYS 10 HD1 LYS 10 45.983 18.080 -1.714
97 HE2 LYS 10 HE2 LYS 10 47.688 19.590 -0.933
98 HE3 LYS 10 HE1 LYS 10 46.127 20.393 -0.636
99 HZ1 LYS 10 HZ1 LYS 10 47.328 18.694 1.457
100 HZ2 LYS 10 HZ2 LYS 10 46.261 20.008 1.614
101 HZ3 LYS 10 HZ3 LYS 10 47.896 20.278 1.238
102 H ILE 11 HN ILE 11 41.150 16.271 -1.734
103 HA ILE 11 HA ILE 11 39.988 19.004 -2.222
104 HB ILE 11 HB ILE 11 40.991 17.187 -4.453
105 HG12 ILE 11 HG12 ILE 11 42.364 19.574 -3.129
106 HG13 ILE 11 HG11 ILE 11 42.923 17.885 -3.095
107 HG21 ILE 11 HG21 ILE 11 40.605 19.090 -5.862
108 HG22 ILE 11 HG22 ILE 11 40.411 20.179 -4.467
109 HG23 ILE 11 HG23 ILE 11 39.162 18.964 -4.830
110 HD11 ILE 11 HD1 ILE 11 44.208 18.881 -4.824
111 HD12 ILE 11 HD2 ILE 11 42.819 19.798 -5.451
112 HD13 ILE 11 HD3 ILE 11 42.908 18.037 -5.696
113 H ILE 12 HN ILE 12 39.952 15.529 -3.090
114 HA ILE 12 HA ILE 12 37.157 15.644 -3.956
115 HB ILE 12 HB ILE 12 38.958 13.310 -3.226
116 HG12 ILE 12 HG12 ILE 12 39.954 14.571 -5.047
117 HG13 ILE 12 HG11 ILE 12 39.274 13.074 -5.716
118 HG21 ILE 12 HG21 ILE 12 37.228 12.185 -4.973
119 HG22 ILE 12 HG22 ILE 12 36.162 13.478 -4.376
120 HG23 ILE 12 HG23 ILE 12 36.853 12.301 -3.240
121 HD11 ILE 12 HD1 ILE 12 38.545 14.699 -7.260
122 HD12 ILE 12 HD2 ILE 12 38.267 15.921 -6.000
123 HD13 ILE 12 HD3 ILE 12 37.140 14.560 -6.183
124 H GLY 13 HN GLY 13 38.173 13.073 -1.761
125 HA2 GLY 13 HA1 GLY 13 35.873 13.255 -0.103
126 HA3 GLY 13 HA2 GLY 13 37.417 12.498 0.351
127 H GLY 14 HN GLY 14 38.429 15.265 -0.612
128 HA2 GLY 14 HA1 GLY 14 38.660 16.438 2.077
129 HA3 GLY 14 HA2 GLY 14 39.411 17.028 0.578
130 H ALA 15 HN ALA 15 37.257 17.357 -1.131
131 HA ALA 15 HA ALA 15 35.916 19.691 0.190
132 HB1 ALA 15 HB1 ALA 15 35.153 20.272 -2.026
133 HB2 ALA 15 HB2 ALA 15 35.655 18.694 -2.674
134 HB3 ALA 15 HB3 ALA 15 36.881 19.872 -2.133
135 H ALA 16 HN ALA 16 35.459 16.909 0.956
136 HA ALA 16 HA ALA 16 33.622 15.728 1.712
137 HB1 ALA 16 HB1 ALA 16 31.479 16.662 1.735
138 HB2 ALA 16 HB2 ALA 16 31.691 17.467 0.164
139 HB3 ALA 16 HB3 ALA 16 32.504 18.109 1.610
140 H LEU 17 HN LEU 17 35.138 14.966 -0.534
141 HA LEU 17 HA LEU 17 34.985 13.428 -2.277
142 HB2 LEU 17 HB2 LEU 17 33.274 12.441 -0.526
143 HB3 LEU 17 HB1 LEU 17 32.044 12.999 -1.679
144 HG LEU 17 HG LEU 17 33.594 11.722 -3.463
145 HD11 LEU 17 HD11 LEU 17 35.368 11.179 -1.772
146 HD12 LEU 17 HD12 LEU 17 34.664 9.726 -2.514
147 HD13 LEU 17 HD13 LEU 17 34.177 10.212 -0.874
148 HD21 LEU 17 HD21 LEU 17 31.785 10.260 -1.483
149 HD22 LEU 17 HD22 LEU 17 32.241 9.674 -3.101
150 HD23 LEU 17 HD23 LEU 17 31.244 11.138 -2.934
151 H ASP 18 HN ASP 18 34.346 16.281 -2.641
152 HA ASP 18 HA ASP 18 33.571 17.682 -4.313
153 HB2 ASP 18 HB2 ASP 18 34.927 16.186 -5.731
154 HB3 ASP 18 HB1 ASP 18 33.527 15.109 -5.939
155 H HIS 19 HN HIS 19 31.795 14.804 -5.455
156 HA HIS 19 HA HIS 19 29.369 16.109 -5.940
157 HB2 HIS 19 HB2 HIS 19 29.838 13.250 -5.003
158 HB3 HIS 19 HB1 HIS 19 28.311 13.855 -5.690
159 HD1 HIS 19 HD1 HIS 19 32.009 13.436 -6.605
160 HD2 HIS 19 HD2 HIS 19 28.290 14.021 -8.479
161 HE1 HIS 19 HE1 HIS 19 32.371 13.162 -9.120
162 H LEU 20 HN LEU 20 29.951 14.010 -3.074
163 HA LEU 20 HA LEU 20 27.677 15.154 -1.678
164 HB2 LEU 20 HB2 LEU 20 28.862 12.795 -1.454
165 HB3 LEU 20 HB1 LEU 20 29.910 13.636 -0.301
166 HG LEU 20 HG LEU 20 28.147 12.650 0.982
167 HD11 LEU 20 HD11 LEU 20 27.163 14.546 2.077
168 HD12 LEU 20 HD12 LEU 20 27.290 15.550 0.616
169 HD13 LEU 20 HD13 LEU 20 28.760 15.056 1.488
170 HD21 LEU 20 HD21 LEU 20 26.585 12.492 -1.142
171 HD22 LEU 20 HD22 LEU 20 25.961 14.064 -0.594
172 HD23 LEU 20 HD23 LEU 20 25.850 12.646 0.467
Start of MODEL 33
1 H1 TRP 1 HT1 TRP 1 47.682 11.185 14.334
2 H2 TRP 1 HT2 TRP 1 47.493 9.758 13.432
3 H3 TRP 1 HT3 TRP 1 46.131 10.563 14.051
4 HA TRP 1 HA TRP 1 47.760 12.243 12.442
5 HB2 TRP 1 HB2 TRP 1 46.822 11.035 10.302
6 HB3 TRP 1 HB1 TRP 1 48.296 10.406 11.072
7 HD1 TRP 1 HD1 TRP 1 44.459 9.804 11.349
8 HE1 TRP 1 HE1 TRP 1 44.041 7.274 11.755
9 HE3 TRP 1 HE3 TRP 1 49.321 8.207 11.557
10 HZ2 TRP 1 HZ2 TRP 1 45.625 4.898 12.119
11 HZ3 TRP 1 HZ3 TRP 1 49.841 5.801 11.934
12 HH2 TRP 1 HH2 TRP 1 48.000 4.147 12.214
13 H LEU 2 HN LEU 2 45.827 12.796 14.246
14 HA LEU 2 HA LEU 2 43.890 14.048 14.411
15 HB2 LEU 2 HB2 LEU 2 44.804 14.906 12.093
16 HB3 LEU 2 HB1 LEU 2 43.486 13.933 11.410
17 HG LEU 2 HG LEU 2 41.986 15.202 13.212
18 HD11 LEU 2 HD11 LEU 2 43.784 16.371 14.396
19 HD12 LEU 2 HD12 LEU 2 42.795 17.565 13.529
20 HD13 LEU 2 HD13 LEU 2 44.375 17.079 12.874
21 HD21 LEU 2 HD21 LEU 2 41.698 15.425 10.780
22 HD22 LEU 2 HD22 LEU 2 43.075 16.551 10.697
23 HD23 LEU 2 HD23 LEU 2 41.586 17.025 11.549
24 H ARG 3 HN ARG 3 44.106 10.983 13.135
25 HA ARG 3 HA ARG 3 42.651 9.192 13.278
26 HB2 ARG 3 HB2 ARG 3 41.670 10.609 15.262
27 HB3 ARG 3 HB1 ARG 3 40.351 10.983 14.129
28 HG2 ARG 3 HG2 ARG 3 39.997 8.538 13.766
29 HG3 ARG 3 HG1 ARG 3 41.264 8.195 14.968
30 HD2 ARG 3 HD2 ARG 3 38.703 9.767 15.495
31 HD3 ARG 3 HD1 ARG 3 39.005 8.084 15.990
32 HE ARG 3 HE ARG 3 41.122 9.669 17.026
33 HH11 ARG 3 HH11 ARG 3 37.754 10.129 17.107
34 HH12 ARG 3 HH12 ARG 3 37.658 10.274 18.831
35 HH21 ARG 3 HH21 ARG 3 40.998 9.492 19.347
36 HH22 ARG 3 HH22 ARG 3 39.494 9.913 20.099
37 H ARG 4 HN ARG 4 40.666 12.034 12.284
38 HA ARG 4 HA ARG 4 39.338 10.491 10.208
39 HB2 ARG 4 HB2 ARG 4 39.508 13.508 10.578
40 HB3 ARG 4 HB1 ARG 4 38.328 12.628 9.578
41 HG2 ARG 4 HG2 ARG 4 37.468 11.473 11.590
42 HG3 ARG 4 HG1 ARG 4 38.658 12.334 12.596
43 HD2 ARG 4 HD2 ARG 4 36.401 13.416 12.646
44 HD3 ARG 4 HD1 ARG 4 37.660 14.493 11.996
45 HE ARG 4 HE ARG 4 36.409 14.531 10.005
46 HH11 ARG 4 HH11 ARG 4 34.206 13.068 11.666
47 HH12 ARG 4 HH12 ARG 4 33.800 11.797 10.563
48 HH21 ARG 4 HH21 ARG 4 36.613 12.252 8.589
49 HH22 ARG 4 HH22 ARG 4 35.163 11.334 8.820
50 H ILE 5 HN ILE 5 42.461 11.501 10.418
51 HA ILE 5 HA ILE 5 44.120 11.940 8.856
52 HB ILE 5 HB ILE 5 42.281 10.624 6.812
53 HG12 ILE 5 HG12 ILE 5 44.086 9.310 8.899
54 HG13 ILE 5 HG11 ILE 5 42.308 9.266 8.889
55 HG21 ILE 5 HG21 ILE 5 45.304 10.431 7.144
56 HG22 ILE 5 HG22 ILE 5 44.531 11.697 6.160
57 HG23 ILE 5 HG23 ILE 5 44.322 9.986 5.727
58 HD11 ILE 5 HD1 ILE 5 42.938 7.210 7.887
59 HD12 ILE 5 HD2 ILE 5 44.242 7.966 6.944
60 HD13 ILE 5 HD3 ILE 5 42.542 8.252 6.501
61 H GLY 6 HN GLY 6 43.095 14.228 9.252
62 HA2 GLY 6 HA1 GLY 6 42.547 16.285 8.348
63 HA3 GLY 6 HA2 GLY 6 43.362 15.703 6.883
64 H LYS 7 HN LYS 7 40.582 13.985 8.106
65 HA LYS 7 HA LYS 7 38.511 13.613 7.122
66 HB2 LYS 7 HB2 LYS 7 38.248 15.964 8.034
67 HB3 LYS 7 HB1 LYS 7 38.624 16.565 6.402
68 HG2 LYS 7 HG2 LYS 7 36.724 15.219 5.495
69 HG3 LYS 7 HG1 LYS 7 36.325 14.705 7.151
70 HD2 LYS 7 HD2 LYS 7 35.837 16.973 7.825
71 HD3 LYS 7 HD1 LYS 7 36.484 17.625 6.300
72 HE2 LYS 7 HE2 LYS 7 34.028 17.579 6.207
73 HE3 LYS 7 HE1 LYS 7 34.698 16.404 5.050
74 HZ1 LYS 7 HZ1 LYS 7 34.098 14.635 6.372
75 HZ2 LYS 7 HZ2 LYS 7 32.802 15.699 6.646
76 HZ3 LYS 7 HZ3 LYS 7 34.043 15.552 7.798
77 H GLY 8 HN GLY 8 39.055 12.250 5.441
78 HA2 GLY 8 HA1 GLY 8 39.065 11.632 3.208
79 HA3 GLY 8 HA2 GLY 8 38.546 13.277 2.794
80 H VAL 9 HN VAL 9 39.950 12.964 0.915
81 HA VAL 9 HA VAL 9 42.835 12.784 1.354
82 HB VAL 9 HB VAL 9 41.243 13.584 -1.125
83 HG11 VAL 9 HG11 VAL 9 44.187 12.959 -0.652
84 HG12 VAL 9 HG12 VAL 9 43.485 14.435 -1.358
85 HG13 VAL 9 HG13 VAL 9 43.436 12.904 -2.264
86 HG21 VAL 9 HG21 VAL 9 41.785 11.247 -1.834
87 HG22 VAL 9 HG22 VAL 9 40.769 11.289 -0.373
88 HG23 VAL 9 HG23 VAL 9 42.512 10.955 -0.237
89 H LYS 10 HN LYS 10 41.294 15.320 -0.619
90 HA LYS 10 HA LYS 10 41.948 17.486 1.165
91 HB2 LYS 10 HB2 LYS 10 44.262 16.908 0.644
92 HB3 LYS 10 HB1 LYS 10 43.907 16.909 -1.095
93 HG2 LYS 10 HG2 LYS 10 45.051 18.997 -0.344
94 HG3 LYS 10 HG1 LYS 10 43.453 19.324 -1.042
95 HD2 LYS 10 HD2 LYS 10 42.475 19.764 1.078
96 HD3 LYS 10 HD1 LYS 10 43.783 18.933 1.957
97 HE2 LYS 10 HE2 LYS 10 43.914 21.437 2.122
98 HE3 LYS 10 HE1 LYS 10 45.359 20.711 1.377
99 HZ1 LYS 10 HZ1 LYS 10 44.594 21.309 -0.769
100 HZ2 LYS 10 HZ2 LYS 10 44.425 22.695 0.198
101 HZ3 LYS 10 HZ3 LYS 10 43.063 21.759 -0.196
102 H ILE 11 HN ILE 11 40.974 16.128 -1.855
103 HA ILE 11 HA ILE 11 39.538 18.682 -2.528
104 HB ILE 11 HB ILE 11 40.916 16.951 -4.625
105 HG12 ILE 11 HG12 ILE 11 41.843 19.576 -3.364
106 HG13 ILE 11 HG11 ILE 11 42.623 17.990 -3.163
107 HG21 ILE 11 HG21 ILE 11 39.908 19.823 -4.800
108 HG22 ILE 11 HG22 ILE 11 38.883 18.424 -5.196
109 HG23 ILE 11 HG23 ILE 11 40.359 18.737 -6.134
110 HD11 ILE 11 HD1 ILE 11 42.785 17.968 -5.769
111 HD12 ILE 11 HD2 ILE 11 43.894 19.034 -4.873
112 HD13 ILE 11 HD3 ILE 11 42.451 19.714 -5.657
113 H ILE 12 HN ILE 12 39.983 15.195 -3.204
114 HA ILE 12 HA ILE 12 37.282 14.941 -4.306
115 HB ILE 12 HB ILE 12 39.282 12.867 -3.349
116 HG12 ILE 12 HG12 ILE 12 38.701 13.802 -6.202
117 HG13 ILE 12 HG11 ILE 12 40.039 14.430 -5.216
118 HG21 ILE 12 HG21 ILE 12 36.674 12.675 -4.909
119 HG22 ILE 12 HG22 ILE 12 37.181 11.751 -3.477
120 HG23 ILE 12 HG23 ILE 12 37.919 11.416 -5.052
121 HD11 ILE 12 HD1 ILE 12 41.167 12.732 -6.350
122 HD12 ILE 12 HD2 ILE 12 39.720 11.714 -6.498
123 HD13 ILE 12 HD3 ILE 12 40.596 11.795 -4.951
124 H GLY 13 HN GLY 13 38.450 12.640 -1.888
125 HA2 GLY 13 HA1 GLY 13 35.979 12.644 -0.444
126 HA3 GLY 13 HA2 GLY 13 37.535 12.020 0.152
127 H GLY 14 HN GLY 14 38.298 14.869 -0.908
128 HA2 GLY 14 HA1 GLY 14 38.299 16.157 1.746
129 HA3 GLY 14 HA2 GLY 14 39.082 16.747 0.261
130 H ALA 15 HN ALA 15 37.004 16.795 -1.583
131 HA ALA 15 HA ALA 15 35.381 19.049 -0.435
132 HB1 ALA 15 HB1 ALA 15 35.357 17.927 -3.263
133 HB2 ALA 15 HB2 ALA 15 36.457 19.219 -2.716
134 HB3 ALA 15 HB3 ALA 15 34.700 19.480 -2.704
135 H ALA 16 HN ALA 16 35.152 16.275 0.436
136 HA ALA 16 HA ALA 16 33.419 14.909 1.112
137 HB1 ALA 16 HB1 ALA 16 31.402 16.475 -0.516
138 HB2 ALA 16 HB2 ALA 16 32.094 17.175 0.966
139 HB3 ALA 16 HB3 ALA 16 31.195 15.642 1.044
140 H LEU 17 HN LEU 17 35.069 14.159 -0.938
141 HA LEU 17 HA LEU 17 35.153 12.605 -2.661
142 HB2 LEU 17 HB2 LEU 17 32.172 12.137 -2.278
143 HB3 LEU 17 HB1 LEU 17 33.351 11.039 -3.014
144 HG LEU 17 HG LEU 17 33.746 11.937 -0.133
145 HD11 LEU 17 HD11 LEU 17 31.423 11.135 -0.221
146 HD12 LEU 17 HD12 LEU 17 32.456 9.944 0.606
147 HD13 LEU 17 HD13 LEU 17 31.947 9.664 -1.076
148 HD21 LEU 17 HD21 LEU 17 35.474 10.597 -1.499
149 HD22 LEU 17 HD22 LEU 17 34.308 9.256 -1.474
150 HD23 LEU 17 HD23 LEU 17 34.979 9.881 0.051
151 H ASP 18 HN ASP 18 34.795 15.327 -3.264
152 HA ASP 18 HA ASP 18 34.185 16.722 -5.017
153 HB2 ASP 18 HB2 ASP 18 35.551 14.983 -6.210
154 HB3 ASP 18 HB1 ASP 18 34.039 14.126 -6.596
155 H HIS 19 HN HIS 19 32.051 16.019 -3.338
156 HA HIS 19 HA HIS 19 29.729 15.949 -3.283
157 HB2 HIS 19 HB2 HIS 19 30.028 17.277 -6.006
158 HB3 HIS 19 HB1 HIS 19 28.591 17.329 -4.958
159 HD1 HIS 19 HD1 HIS 19 30.735 19.720 -5.901
160 HD2 HIS 19 HD2 HIS 19 30.119 18.034 -2.098
161 HE1 HIS 19 HE1 HIS 19 31.603 21.393 -4.177
162 H LEU 20 HN LEU 20 31.023 13.582 -4.284
163 HA LEU 20 HA LEU 20 29.771 12.604 -6.662
164 HB2 LEU 20 HB2 LEU 20 31.712 11.478 -5.785
165 HB3 LEU 20 HB1 LEU 20 30.922 11.205 -4.217
166 HG LEU 20 HG LEU 20 29.375 9.611 -5.184
167 HD11 LEU 20 HD11 LEU 20 30.493 10.612 -7.831
168 HD12 LEU 20 HD12 LEU 20 28.796 10.556 -7.297
169 HD13 LEU 20 HD13 LEU 20 29.651 9.049 -7.700
170 HD21 LEU 20 HD21 LEU 20 32.175 9.173 -6.313
171 HD22 LEU 20 HD22 LEU 20 30.950 7.907 -6.061
172 HD23 LEU 20 HD23 LEU 20 31.642 8.766 -4.665
Start of MODEL 34
1 H1 TRP 1 HT1 TRP 1 28.412 12.186 3.033
2 H2 TRP 1 HT2 TRP 1 27.247 11.364 3.959
3 H3 TRP 1 HT3 TRP 1 28.157 10.528 2.793
4 HA TRP 1 HA TRP 1 29.073 11.674 5.344
5 HB2 TRP 1 HB2 TRP 1 29.159 8.855 4.200
6 HB3 TRP 1 HB1 TRP 1 29.736 9.356 5.807
7 HD1 TRP 1 HD1 TRP 1 27.782 10.495 7.427
8 HE1 TRP 1 HE1 TRP 1 25.290 9.813 7.724
9 HE3 TRP 1 HE3 TRP 1 27.150 7.839 3.097
10 HZ2 TRP 1 HZ2 TRP 1 23.316 8.314 6.258
11 HZ3 TRP 1 HZ3 TRP 1 24.955 6.790 2.566
12 HH2 TRP 1 HH2 TRP 1 23.038 7.026 4.141
13 H LEU 2 HN LEU 2 31.400 10.827 5.766
14 HA LEU 2 HA LEU 2 33.073 12.017 3.695
15 HB2 LEU 2 HB2 LEU 2 34.014 10.393 6.085
16 HB3 LEU 2 HB1 LEU 2 34.883 11.678 5.216
17 HG LEU 2 HG LEU 2 32.325 12.066 6.839
18 HD11 LEU 2 HD11 LEU 2 35.188 12.935 7.429
19 HD12 LEU 2 HD12 LEU 2 34.380 11.541 8.183
20 HD13 LEU 2 HD13 LEU 2 33.763 13.187 8.465
21 HD21 LEU 2 HD21 LEU 2 33.065 14.537 6.540
22 HD22 LEU 2 HD22 LEU 2 32.352 13.734 5.125
23 HD23 LEU 2 HD23 LEU 2 34.117 13.939 5.235
24 H ARG 3 HN ARG 3 31.716 8.964 4.167
25 HA ARG 3 HA ARG 3 31.922 7.000 2.979
26 HB2 ARG 3 HB2 ARG 3 34.175 8.245 1.361
27 HB3 ARG 3 HB1 ARG 3 33.170 6.853 0.934
28 HG2 ARG 3 HG2 ARG 3 31.908 9.578 1.435
29 HG3 ARG 3 HG1 ARG 3 32.600 9.168 -0.145
30 HD2 ARG 3 HD2 ARG 3 30.406 7.616 1.302
31 HD3 ARG 3 HD1 ARG 3 30.192 8.667 -0.114
32 HE ARG 3 HE ARG 3 32.153 6.665 -0.720
33 HH11 ARG 3 HH11 ARG 3 30.413 6.884 -2.839
34 HH12 ARG 3 HH12 ARG 3 29.209 5.655 -2.636
35 HH21 ARG 3 HH21 ARG 3 29.899 5.163 0.727
36 HH22 ARG 3 HH22 ARG 3 28.917 4.681 -0.616
37 H ARG 4 HN ARG 4 35.047 8.509 3.862
38 HA ARG 4 HA ARG 4 36.290 5.857 4.223
39 HB2 ARG 4 HB2 ARG 4 37.564 7.850 3.403
40 HB3 ARG 4 HB1 ARG 4 37.314 8.624 4.986
41 HG2 ARG 4 HG2 ARG 4 38.622 6.979 6.123
42 HG3 ARG 4 HG1 ARG 4 38.586 5.867 4.734
43 HD2 ARG 4 HD2 ARG 4 40.780 7.056 4.973
44 HD3 ARG 4 HD1 ARG 4 39.977 7.393 3.421
45 HE ARG 4 HE ARG 4 39.189 9.402 5.289
46 HH11 ARG 4 HH11 ARG 4 42.217 8.924 5.769
47 HH12 ARG 4 HH12 ARG 4 42.886 10.151 4.748
48 HH21 ARG 4 HH21 ARG 4 39.930 10.701 3.022
49 HH22 ARG 4 HH22 ARG 4 41.592 11.157 3.192
50 H ILE 5 HN ILE 5 34.218 7.859 5.996
51 HA ILE 5 HA ILE 5 33.534 7.822 8.208
52 HB ILE 5 HB ILE 5 35.043 5.190 8.495
53 HG12 ILE 5 HG12 ILE 5 32.282 5.719 7.299
54 HG13 ILE 5 HG11 ILE 5 33.708 5.123 6.418
55 HG21 ILE 5 HG21 ILE 5 32.387 6.070 9.702
56 HG22 ILE 5 HG22 ILE 5 33.947 6.384 10.499
57 HG23 ILE 5 HG23 ILE 5 33.426 4.713 10.197
58 HD11 ILE 5 HD1 ILE 5 32.469 3.157 6.901
59 HD12 ILE 5 HD2 ILE 5 32.069 3.705 8.546
60 HD13 ILE 5 HD3 ILE 5 33.729 3.184 8.158
61 H GLY 6 HN GLY 6 35.320 9.598 8.123
62 HA2 GLY 6 HA1 GLY 6 36.592 9.688 10.610
63 HA3 GLY 6 HA2 GLY 6 37.802 9.030 9.490
64 H LYS 7 HN LYS 7 38.089 10.285 7.411
65 HA LYS 7 HA LYS 7 37.533 13.202 7.697
66 HB2 LYS 7 HB2 LYS 7 40.350 12.122 7.290
67 HB3 LYS 7 HB1 LYS 7 39.861 13.828 7.436
68 HG2 LYS 7 HG2 LYS 7 38.938 13.243 9.746
69 HG3 LYS 7 HG1 LYS 7 39.761 11.673 9.586
70 HD2 LYS 7 HD2 LYS 7 41.136 14.390 9.357
71 HD3 LYS 7 HD1 LYS 7 41.127 13.382 10.822
72 HE2 LYS 7 HE2 LYS 7 42.100 11.504 9.303
73 HE3 LYS 7 HE1 LYS 7 42.438 12.813 8.144
74 HZ1 LYS 7 HZ1 LYS 7 44.349 12.789 9.378
75 HZ2 LYS 7 HZ2 LYS 7 43.568 12.350 10.821
76 HZ3 LYS 7 HZ3 LYS 7 43.455 13.943 10.242
77 H GLY 8 HN GLY 8 39.728 13.623 5.644
78 HA2 GLY 8 HA1 GLY 8 38.788 12.105 3.304
79 HA3 GLY 8 HA2 GLY 8 38.298 13.811 3.328
80 H VAL 9 HN VAL 9 39.698 13.332 1.229
81 HA VAL 9 HA VAL 9 42.562 13.301 1.602
82 HB VAL 9 HB VAL 9 40.980 14.318 -0.804
83 HG11 VAL 9 HG11 VAL 9 43.851 13.377 -0.393
84 HG12 VAL 9 HG12 VAL 9 43.313 14.978 -0.950
85 HG13 VAL 9 HG13 VAL 9 43.099 13.555 -1.995
86 HG21 VAL 9 HG21 VAL 9 42.100 11.542 -0.231
87 HG22 VAL 9 HG22 VAL 9 41.168 12.043 -1.662
88 HG23 VAL 9 HG23 VAL 9 40.384 11.986 -0.065
89 H LYS 10 HN LYS 10 41.443 15.932 -0.405
90 HA LYS 10 HA LYS 10 41.905 17.982 1.665
91 HB2 LYS 10 HB2 LYS 10 43.836 17.584 -0.660
92 HB3 LYS 10 HB1 LYS 10 43.741 19.068 0.318
93 HG2 LYS 10 HG2 LYS 10 44.103 17.549 2.376
94 HG3 LYS 10 HG1 LYS 10 44.547 16.273 1.217
95 HD2 LYS 10 HD2 LYS 10 46.321 17.705 0.284
96 HD3 LYS 10 HD1 LYS 10 45.864 19.017 1.400
97 HE2 LYS 10 HE2 LYS 10 46.437 17.630 3.334
98 HE3 LYS 10 HE1 LYS 10 46.780 16.242 2.274
99 HZ1 LYS 10 HZ1 LYS 10 48.186 18.801 1.852
100 HZ2 LYS 10 HZ2 LYS 10 48.680 17.223 1.460
101 HZ3 LYS 10 HZ3 LYS 10 48.707 17.749 3.076
102 H ILE 11 HN ILE 11 41.308 17.029 -1.687
103 HA ILE 11 HA ILE 11 39.640 19.522 -2.027
104 HB ILE 11 HB ILE 11 41.201 18.177 -4.272
105 HG12 ILE 11 HG12 ILE 11 41.965 20.598 -2.571
106 HG13 ILE 11 HG11 ILE 11 42.811 19.033 -2.613
107 HG21 ILE 11 HG21 ILE 11 39.129 19.654 -4.703
108 HG22 ILE 11 HG22 ILE 11 40.626 20.135 -5.532
109 HG23 ILE 11 HG23 ILE 11 40.095 21.011 -4.076
110 HD11 ILE 11 HD1 ILE 11 44.081 20.413 -4.070
111 HD12 ILE 11 HD2 ILE 11 42.627 21.143 -4.790
112 HD13 ILE 11 HD3 ILE 11 43.060 19.457 -5.170
113 H ILE 12 HN ILE 12 40.355 16.226 -3.235
114 HA ILE 12 HA ILE 12 37.724 15.966 -4.477
115 HB ILE 12 HB ILE 12 39.808 13.890 -3.725
116 HG12 ILE 12 HG12 ILE 12 39.376 14.910 -6.562
117 HG13 ILE 12 HG11 ILE 12 40.344 15.887 -5.436
118 HG21 ILE 12 HG21 ILE 12 38.584 12.670 -5.744
119 HG22 ILE 12 HG22 ILE 12 37.250 13.783 -5.373
120 HG23 ILE 12 HG23 ILE 12 37.833 12.645 -4.136
121 HD11 ILE 12 HD1 ILE 12 41.636 14.205 -6.882
122 HD12 ILE 12 HD2 ILE 12 40.898 12.929 -5.886
123 HD13 ILE 12 HD3 ILE 12 41.950 14.148 -5.133
124 H GLY 13 HN GLY 13 38.916 13.368 -2.403
125 HA2 GLY 13 HA1 GLY 13 36.415 12.944 -1.117
126 HA3 GLY 13 HA2 GLY 13 37.995 12.396 -0.513
127 H GLY 14 HN GLY 14 38.591 15.393 -1.041
128 HA2 GLY 14 HA1 GLY 14 38.277 16.247 1.760
129 HA3 GLY 14 HA2 GLY 14 39.087 17.134 0.449
130 H ALA 15 HN ALA 15 37.128 17.295 -1.509
131 HA ALA 15 HA ALA 15 35.254 19.214 -0.181
132 HB1 ALA 15 HB1 ALA 15 34.612 19.839 -2.438
133 HB2 ALA 15 HB2 ALA 15 35.511 18.467 -3.120
134 HB3 ALA 15 HB3 ALA 15 36.386 19.807 -2.334
135 H ALA 16 HN ALA 16 35.217 16.317 0.288
136 HA ALA 16 HA ALA 16 33.538 14.793 0.737
137 HB1 ALA 16 HB1 ALA 16 31.275 15.352 0.565
138 HB2 ALA 16 HB2 ALA 16 31.509 16.314 -0.912
139 HB3 ALA 16 HB3 ALA 16 32.034 16.957 0.661
140 H LEU 17 HN LEU 17 35.405 14.590 -1.416
141 HA LEU 17 HA LEU 17 35.705 13.328 -3.348
142 HB2 LEU 17 HB2 LEU 17 34.221 11.793 -1.684
143 HB3 LEU 17 HB1 LEU 17 33.052 11.925 -3.013
144 HG LEU 17 HG LEU 17 35.950 11.002 -3.336
145 HD11 LEU 17 HD11 LEU 17 34.616 9.409 -1.998
146 HD12 LEU 17 HD12 LEU 17 34.958 8.749 -3.616
147 HD13 LEU 17 HD13 LEU 17 33.349 9.413 -3.248
148 HD21 LEU 17 HD21 LEU 17 35.037 11.979 -5.389
149 HD22 LEU 17 HD22 LEU 17 33.539 11.034 -5.209
150 HD23 LEU 17 HD23 LEU 17 35.075 10.210 -5.560
151 H ASP 18 HN ASP 18 34.688 15.848 -3.776
152 HA ASP 18 HA ASP 18 33.527 17.130 -5.326
153 HB2 ASP 18 HB2 ASP 18 33.904 14.578 -6.941
154 HB3 ASP 18 HB1 ASP 18 33.396 16.142 -7.621
155 H HIS 19 HN HIS 19 31.939 15.542 -3.428
156 HA HIS 19 HA HIS 19 29.729 14.910 -3.091
157 HB2 HIS 19 HB2 HIS 19 29.448 17.300 -3.770
158 HB3 HIS 19 HB1 HIS 19 29.219 16.764 -5.451
159 HD1 HIS 19 HD1 HIS 19 27.713 16.099 -1.972
160 HD2 HIS 19 HD2 HIS 19 26.574 16.227 -6.017
161 HE1 HIS 19 HE1 HIS 19 25.198 15.662 -2.069
162 H LEU 20 HN LEU 20 30.816 12.838 -4.176
163 HA LEU 20 HA LEU 20 28.713 11.648 -5.739
164 HB2 LEU 20 HB2 LEU 20 29.589 12.892 -7.612
165 HB3 LEU 20 HB1 LEU 20 31.259 12.439 -7.207
166 HG LEU 20 HG LEU 20 30.857 10.122 -7.808
167 HD11 LEU 20 HD11 LEU 20 27.945 11.000 -7.934
168 HD12 LEU 20 HD12 LEU 20 28.661 9.662 -7.002
169 HD13 LEU 20 HD13 LEU 20 28.515 9.535 -8.769
170 HD21 LEU 20 HD21 LEU 20 31.233 11.834 -9.640
171 HD22 LEU 20 HD22 LEU 20 29.472 11.856 -9.898
172 HD23 LEU 20 HD23 LEU 20 30.394 10.359 -10.174
Start of MODEL 35
1 H1 TRP 1 HT1 TRP 1 42.156 8.217 14.838
2 H2 TRP 1 HT2 TRP 1 43.121 7.112 13.980
3 H3 TRP 1 HT3 TRP 1 41.528 7.425 13.477
4 HA TRP 1 HA TRP 1 42.120 9.717 13.022
5 HB2 TRP 1 HB2 TRP 1 44.571 10.233 12.916
6 HB3 TRP 1 HB1 TRP 1 43.982 9.949 14.571
7 HD1 TRP 1 HD1 TRP 1 46.350 8.618 11.968
8 HE1 TRP 1 HE1 TRP 1 47.675 6.581 12.897
9 HE3 TRP 1 HE3 TRP 1 43.710 7.840 16.285
10 HZ2 TRP 1 HZ2 TRP 1 47.575 4.869 15.209
11 HZ3 TRP 1 HZ3 TRP 1 44.342 6.000 17.838
12 HH2 TRP 1 HH2 TRP 1 46.271 4.515 17.305
13 H LEU 2 HN LEU 2 42.068 10.017 10.881
14 HA LEU 2 HA LEU 2 42.510 7.728 9.139
15 HB2 LEU 2 HB2 LEU 2 42.109 10.601 8.249
16 HB3 LEU 2 HB1 LEU 2 41.660 9.104 7.398
17 HG LEU 2 HG LEU 2 40.439 10.123 10.004
18 HD11 LEU 2 HD11 LEU 2 38.417 10.442 8.628
19 HD12 LEU 2 HD12 LEU 2 39.289 9.860 7.190
20 HD13 LEU 2 HD13 LEU 2 39.772 11.387 7.967
21 HD21 LEU 2 HD21 LEU 2 38.777 8.206 9.461
22 HD22 LEU 2 HD22 LEU 2 40.366 7.735 10.105
23 HD23 LEU 2 HD23 LEU 2 40.033 7.588 8.361
24 H ARG 3 HN ARG 3 43.808 11.035 8.784
25 HA ARG 3 HA ARG 3 46.573 10.026 8.591
26 HB2 ARG 3 HB2 ARG 3 45.583 9.627 6.298
27 HB3 ARG 3 HB1 ARG 3 45.281 11.377 6.183
28 HG2 ARG 3 HG2 ARG 3 47.635 11.881 6.304
29 HG3 ARG 3 HG1 ARG 3 48.036 10.204 6.751
30 HD2 ARG 3 HD2 ARG 3 47.407 9.389 4.566
31 HD3 ARG 3 HD1 ARG 3 46.703 10.961 4.119
32 HE ARG 3 HE ARG 3 48.872 11.525 3.408
33 HH11 ARG 3 HH11 ARG 3 49.979 12.021 6.061
34 HH12 ARG 3 HH12 ARG 3 51.264 10.867 6.188
35 HH21 ARG 3 HH21 ARG 3 50.105 8.891 3.586
36 HH22 ARG 3 HH22 ARG 3 51.335 9.095 4.788
37 H ARG 4 HN ARG 4 44.169 12.302 9.147
38 HA ARG 4 HA ARG 4 46.118 14.257 10.134
39 HB2 ARG 4 HB2 ARG 4 45.792 14.737 7.613
40 HB3 ARG 4 HB1 ARG 4 44.131 15.208 8.034
41 HG2 ARG 4 HG2 ARG 4 44.938 16.954 9.527
42 HG3 ARG 4 HG1 ARG 4 46.620 16.406 9.333
43 HD2 ARG 4 HD2 ARG 4 46.602 17.012 6.974
44 HD3 ARG 4 HD1 ARG 4 44.867 17.403 7.048
45 HE ARG 4 HE ARG 4 45.457 19.491 7.976
46 HH11 ARG 4 HH11 ARG 4 46.902 20.979 8.877
47 HH12 ARG 4 HH12 ARG 4 48.516 20.477 9.258
48 HH21 ARG 4 HH21 ARG 4 48.029 17.206 8.217
49 HH22 ARG 4 HH22 ARG 4 49.154 18.342 8.885
50 H ILE 5 HN ILE 5 43.307 12.541 10.238
51 HA ILE 5 HA ILE 5 41.230 12.847 11.265
52 HB ILE 5 HB ILE 5 42.501 12.094 13.128
53 HG12 ILE 5 HG12 ILE 5 41.445 13.156 15.037
54 HG13 ILE 5 HG11 ILE 5 41.141 14.642 14.116
55 HG21 ILE 5 HG21 ILE 5 43.583 14.930 13.365
56 HG22 ILE 5 HG22 ILE 5 44.486 13.462 12.936
57 HG23 ILE 5 HG23 ILE 5 43.827 13.655 14.575
58 HD11 ILE 5 HD1 ILE 5 39.169 12.983 14.378
59 HD12 ILE 5 HD2 ILE 5 40.038 11.953 13.216
60 HD13 ILE 5 HD3 ILE 5 39.503 13.582 12.739
61 H GLY 6 HN GLY 6 40.061 14.310 10.133
62 HA2 GLY 6 HA1 GLY 6 39.027 16.559 11.330
63 HA3 GLY 6 HA2 GLY 6 40.463 17.188 10.497
64 H LYS 7 HN LYS 7 40.174 15.048 8.397
65 HA LYS 7 HA LYS 7 37.630 15.485 7.086
66 HB2 LYS 7 HB2 LYS 7 38.562 16.824 5.160
67 HB3 LYS 7 HB1 LYS 7 38.432 17.730 6.688
68 HG2 LYS 7 HG2 LYS 7 40.826 17.307 7.153
69 HG3 LYS 7 HG1 LYS 7 40.962 16.393 5.631
70 HD2 LYS 7 HD2 LYS 7 40.378 18.387 4.333
71 HD3 LYS 7 HD1 LYS 7 40.112 19.316 5.829
72 HE2 LYS 7 HE2 LYS 7 42.341 19.818 4.920
73 HE3 LYS 7 HE1 LYS 7 42.498 18.936 6.458
74 HZ1 LYS 7 HZ1 LYS 7 43.478 18.213 3.929
75 HZ2 LYS 7 HZ2 LYS 7 42.313 17.063 4.381
76 HZ3 LYS 7 HZ3 LYS 7 43.638 17.380 5.397
77 H GLY 8 HN GLY 8 37.903 14.884 4.618
78 HA2 GLY 8 HA1 GLY 8 39.103 12.245 4.626
79 HA3 GLY 8 HA2 GLY 8 38.316 13.049 3.256
80 H VAL 9 HN VAL 9 39.609 13.192 1.561
81 HA VAL 9 HA VAL 9 42.493 13.014 1.841
82 HB VAL 9 HB VAL 9 40.804 13.779 -0.584
83 HG11 VAL 9 HG11 VAL 9 43.732 13.009 -0.230
84 HG12 VAL 9 HG12 VAL 9 43.082 14.504 -0.944
85 HG13 VAL 9 HG13 VAL 9 42.897 12.956 -1.800
86 HG21 VAL 9 HG21 VAL 9 42.087 11.114 0.147
87 HG22 VAL 9 HG22 VAL 9 40.976 11.447 -1.204
88 HG23 VAL 9 HG23 VAL 9 40.382 11.506 0.473
89 H LYS 10 HN LYS 10 41.114 15.497 -0.270
90 HA LYS 10 HA LYS 10 41.748 17.743 1.423
91 HB2 LYS 10 HB2 LYS 10 44.074 16.845 0.917
92 HB3 LYS 10 HB1 LYS 10 43.767 17.231 -0.791
93 HG2 LYS 10 HG2 LYS 10 43.358 19.596 -0.193
94 HG3 LYS 10 HG1 LYS 10 43.649 19.217 1.521
95 HD2 LYS 10 HD2 LYS 10 45.951 18.467 0.959
96 HD3 LYS 10 HD1 LYS 10 45.661 18.876 -0.748
97 HE2 LYS 10 HE2 LYS 10 45.361 20.902 1.505
98 HE3 LYS 10 HE1 LYS 10 46.887 20.656 0.623
99 HZ1 LYS 10 HZ1 LYS 10 44.362 21.128 -0.840
100 HZ2 LYS 10 HZ2 LYS 10 45.961 21.396 -1.348
101 HZ3 LYS 10 HZ3 LYS 10 45.242 22.433 -0.209
102 H ILE 11 HN ILE 11 41.146 16.294 -1.710
103 HA ILE 11 HA ILE 11 39.800 18.849 -2.586
104 HB ILE 11 HB ILE 11 41.228 16.942 -4.482
105 HG12 ILE 11 HG12 ILE 11 42.268 19.504 -3.186
106 HG13 ILE 11 HG11 ILE 11 42.914 17.864 -2.950
107 HG21 ILE 11 HG21 ILE 11 40.499 19.878 -4.838
108 HG22 ILE 11 HG22 ILE 11 39.373 18.562 -5.250
109 HG23 ILE 11 HG23 ILE 11 40.934 18.692 -6.092
110 HD11 ILE 11 HD1 ILE 11 44.361 18.824 -4.569
111 HD12 ILE 11 HD2 ILE 11 43.018 19.596 -5.442
112 HD13 ILE 11 HD3 ILE 11 43.243 17.832 -5.534
113 H ILE 12 HN ILE 12 40.144 15.320 -3.092
114 HA ILE 12 HA ILE 12 37.425 15.172 -4.265
115 HB ILE 12 HB ILE 12 39.440 13.018 -3.527
116 HG12 ILE 12 HG12 ILE 12 40.414 14.485 -5.194
117 HG13 ILE 12 HG11 ILE 12 39.946 12.973 -5.996
118 HG21 ILE 12 HG21 ILE 12 37.469 11.788 -3.755
119 HG22 ILE 12 HG22 ILE 12 37.971 11.825 -5.459
120 HG23 ILE 12 HG23 ILE 12 36.728 12.955 -4.874
121 HD11 ILE 12 HD1 ILE 12 38.655 15.712 -6.184
122 HD12 ILE 12 HD2 ILE 12 37.702 14.252 -6.537
123 HD13 ILE 12 HD3 ILE 12 39.155 14.617 -7.491
124 H GLY 13 HN GLY 13 38.590 12.621 -2.132
125 HA2 GLY 13 HA1 GLY 13 36.196 12.503 -0.611
126 HA3 GLY 13 HA2 GLY 13 37.771 11.859 -0.103
127 H GLY 14 HN GLY 14 38.549 14.765 -0.865
128 HA2 GLY 14 HA1 GLY 14 38.511 15.810 1.888
129 HA3 GLY 14 HA2 GLY 14 39.313 16.530 0.474
130 H ALA 15 HN ALA 15 37.302 16.796 -1.387
131 HA ALA 15 HA ALA 15 35.650 18.917 -0.060
132 HB1 ALA 15 HB1 ALA 15 35.630 18.078 -2.981
133 HB2 ALA 15 HB2 ALA 15 36.791 19.253 -2.309
134 HB3 ALA 15 HB3 ALA 15 35.048 19.600 -2.272
135 H ALA 16 HN ALA 16 35.410 16.022 0.470
136 HA ALA 16 HA ALA 16 33.641 14.639 1.018
137 HB1 ALA 16 HB1 ALA 16 31.653 16.331 -0.513
138 HB2 ALA 16 HB2 ALA 16 32.327 16.923 1.023
139 HB3 ALA 16 HB3 ALA 16 31.427 15.389 0.980
140 H LEU 17 HN LEU 17 35.327 14.040 -1.049
141 HA LEU 17 HA LEU 17 35.437 12.647 -2.907
142 HB2 LEU 17 HB2 LEU 17 32.452 12.140 -2.591
143 HB3 LEU 17 HB1 LEU 17 33.645 11.106 -3.395
144 HG LEU 17 HG LEU 17 33.976 11.775 -0.445
145 HD11 LEU 17 HD11 LEU 17 32.196 9.614 -1.644
146 HD12 LEU 17 HD12 LEU 17 31.691 10.952 -0.585
147 HD13 LEU 17 HD13 LEU 17 32.726 9.653 0.055
148 HD21 LEU 17 HD21 LEU 17 34.611 9.216 -1.977
149 HD22 LEU 17 HD22 LEU 17 35.247 9.737 -0.399
150 HD23 LEU 17 HD23 LEU 17 35.755 10.572 -1.882
151 H ASP 18 HN ASP 18 34.149 15.536 -2.871
152 HA ASP 18 HA ASP 18 33.421 17.031 -4.484
153 HB2 ASP 18 HB2 ASP 18 35.492 16.226 -5.615
154 HB3 ASP 18 HB1 ASP 18 34.531 14.971 -6.432
155 H HIS 19 HN HIS 19 31.357 15.691 -3.498
156 HA HIS 19 HA HIS 19 29.194 14.991 -3.947
157 HB2 HIS 19 HB2 HIS 19 29.725 16.254 -6.667
158 HB3 HIS 19 HB1 HIS 19 28.131 15.902 -5.958
159 HD1 HIS 19 HD1 HIS 19 29.174 16.797 -2.979
160 HD2 HIS 19 HD2 HIS 19 29.221 19.080 -6.512
161 HE1 HIS 19 HE1 HIS 19 29.227 19.257 -2.294
162 H LEU 20 HN LEU 20 30.772 12.891 -4.031
163 HA LEU 20 HA LEU 20 31.118 10.793 -4.975
164 HB2 LEU 20 HB2 LEU 20 28.319 11.522 -5.900
165 HB3 LEU 20 HB1 LEU 20 29.041 9.947 -6.301
166 HG LEU 20 HG LEU 20 29.406 9.487 -3.900
167 HD11 LEU 20 HD11 LEU 20 28.230 12.279 -3.603
168 HD12 LEU 20 HD12 LEU 20 29.737 11.628 -2.913
169 HD13 LEU 20 HD13 LEU 20 28.166 11.094 -2.275
170 HD21 LEU 20 HD21 LEU 20 27.266 8.833 -4.993
171 HD22 LEU 20 HD22 LEU 20 26.558 10.395 -4.520
172 HD23 LEU 20 HD23 LEU 20 27.032 9.217 -3.272
Start of MODEL 36
1 H1 TRP 1 HT1 TRP 1 35.613 24.849 12.725
2 H2 TRP 1 HT2 TRP 1 36.727 24.747 11.445
3 H3 TRP 1 HT3 TRP 1 37.258 25.146 13.009
4 HA TRP 1 HA TRP 1 37.786 22.877 12.423
5 HB2 TRP 1 HB2 TRP 1 35.631 22.966 14.562
6 HB3 TRP 1 HB1 TRP 1 37.081 21.935 14.499
7 HD1 TRP 1 HD1 TRP 1 39.398 23.776 14.051
8 HE1 TRP 1 HE1 TRP 1 40.071 25.694 15.673
9 HE3 TRP 1 HE3 TRP 1 34.912 24.431 16.427
10 HZ2 TRP 1 HZ2 TRP 1 38.805 27.278 17.717
11 HZ3 TRP 1 HZ3 TRP 1 34.666 26.152 18.211
12 HH2 TRP 1 HH2 TRP 1 36.607 27.574 18.857
13 H LEU 2 HN LEU 2 37.232 21.511 10.862
14 HA LEU 2 HA LEU 2 34.547 21.269 9.869
15 HB2 LEU 2 HB2 LEU 2 36.875 20.721 8.761
16 HB3 LEU 2 HB1 LEU 2 36.646 19.116 9.485
17 HG LEU 2 HG LEU 2 34.699 20.527 7.601
18 HD11 LEU 2 HD11 LEU 2 36.807 19.691 6.543
19 HD12 LEU 2 HD12 LEU 2 35.369 18.801 5.989
20 HD13 LEU 2 HD13 LEU 2 36.462 18.070 7.190
21 HD21 LEU 2 HD21 LEU 2 33.694 18.109 7.604
22 HD22 LEU 2 HD22 LEU 2 33.350 19.157 8.996
23 HD23 LEU 2 HD23 LEU 2 34.597 17.893 9.124
24 H ARG 3 HN ARG 3 36.540 18.692 11.320
25 HA ARG 3 HA ARG 3 34.630 17.972 13.347
26 HB2 ARG 3 HB2 ARG 3 33.340 17.243 11.305
27 HB3 ARG 3 HB1 ARG 3 34.681 16.141 10.911
28 HG2 ARG 3 HG2 ARG 3 34.394 14.996 13.085
29 HG3 ARG 3 HG1 ARG 3 33.066 16.107 13.500
30 HD2 ARG 3 HD2 ARG 3 31.720 15.290 11.647
31 HD3 ARG 3 HD1 ARG 3 33.074 14.304 11.042
32 HE ARG 3 HE ARG 3 32.562 13.496 13.717
33 HH11 ARG 3 HH11 ARG 3 29.739 13.678 13.233
34 HH12 ARG 3 HH12 ARG 3 29.349 12.226 12.373
35 HH21 ARG 3 HH21 ARG 3 32.633 11.561 11.478
36 HH22 ARG 3 HH22 ARG 3 30.987 11.028 11.380
37 H ARG 4 HN ARG 4 37.312 17.456 11.259
38 HA ARG 4 HA ARG 4 38.835 16.159 13.428
39 HB2 ARG 4 HB2 ARG 4 38.268 14.792 10.764
40 HB3 ARG 4 HB1 ARG 4 39.632 14.349 11.816
41 HG2 ARG 4 HG2 ARG 4 37.941 13.998 13.692
42 HG3 ARG 4 HG1 ARG 4 36.659 14.194 12.472
43 HD2 ARG 4 HD2 ARG 4 38.903 12.134 12.334
44 HD3 ARG 4 HD1 ARG 4 37.233 11.797 12.852
45 HE ARG 4 HE ARG 4 37.188 13.051 10.271
46 HH11 ARG 4 HH11 ARG 4 35.448 10.981 10.129
47 HH12 ARG 4 HH12 ARG 4 36.306 9.603 9.525
48 HH21 ARG 4 HH21 ARG 4 39.439 10.907 10.239
49 HH22 ARG 4 HH22 ARG 4 38.565 9.561 9.587
50 H ILE 5 HN ILE 5 38.470 18.476 11.222
51 HA ILE 5 HA ILE 5 39.928 19.906 10.139
52 HB ILE 5 HB ILE 5 42.186 18.543 11.665
53 HG12 ILE 5 HG12 ILE 5 40.594 19.049 13.368
54 HG13 ILE 5 HG11 ILE 5 41.739 20.403 13.397
55 HG21 ILE 5 HG21 ILE 5 43.077 20.052 10.069
56 HG22 ILE 5 HG22 ILE 5 43.063 20.977 11.585
57 HG23 ILE 5 HG23 ILE 5 41.813 21.263 10.355
58 HD11 ILE 5 HD1 ILE 5 39.560 21.386 13.523
59 HD12 ILE 5 HD2 ILE 5 38.928 20.340 12.231
60 HD13 ILE 5 HD3 ILE 5 40.084 21.634 11.844
61 H GLY 6 HN GLY 6 40.097 19.551 8.033
62 HA2 GLY 6 HA1 GLY 6 40.939 18.739 6.038
63 HA3 GLY 6 HA2 GLY 6 42.336 18.133 6.949
64 H LYS 7 HN LYS 7 38.828 17.347 6.931
65 HA LYS 7 HA LYS 7 39.316 14.535 7.305
66 HB2 LYS 7 HB2 LYS 7 37.178 15.732 7.863
67 HB3 LYS 7 HB1 LYS 7 36.848 15.864 6.119
68 HG2 LYS 7 HG2 LYS 7 36.835 13.439 5.879
69 HG3 LYS 7 HG1 LYS 7 37.348 13.230 7.571
70 HD2 LYS 7 HD2 LYS 7 35.251 14.333 8.331
71 HD3 LYS 7 HD1 LYS 7 34.731 14.487 6.636
72 HE2 LYS 7 HE2 LYS 7 35.440 11.821 7.925
73 HE3 LYS 7 HE1 LYS 7 33.783 12.470 7.874
74 HZ1 LYS 7 HZ1 LYS 7 34.209 12.707 5.382
75 HZ2 LYS 7 HZ2 LYS 7 33.946 11.142 5.987
76 HZ3 LYS 7 HZ3 LYS 7 35.523 11.659 5.618
77 H GLY 8 HN GLY 8 39.015 12.789 5.849
78 HA2 GLY 8 HA1 GLY 8 39.224 11.713 3.810
79 HA3 GLY 8 HA2 GLY 8 38.610 13.186 3.031
80 H VAL 9 HN VAL 9 40.025 13.079 1.292
81 HA VAL 9 HA VAL 9 42.895 12.833 1.696
82 HB VAL 9 HB VAL 9 41.308 13.827 -0.716
83 HG11 VAL 9 HG11 VAL 9 43.571 14.635 -0.917
84 HG12 VAL 9 HG12 VAL 9 43.472 13.166 -1.917
85 HG13 VAL 9 HG13 VAL 9 44.239 13.101 -0.312
86 HG21 VAL 9 HG21 VAL 9 41.637 11.559 -1.569
87 HG22 VAL 9 HG22 VAL 9 40.856 11.467 0.027
88 HG23 VAL 9 HG23 VAL 9 42.595 11.123 -0.133
89 H LYS 10 HN LYS 10 41.510 15.518 -0.164
90 HA LYS 10 HA LYS 10 42.157 17.575 1.754
91 HB2 LYS 10 HB2 LYS 10 44.477 16.755 1.097
92 HB3 LYS 10 HB1 LYS 10 44.129 17.335 -0.548
93 HG2 LYS 10 HG2 LYS 10 43.678 19.611 0.372
94 HG3 LYS 10 HG1 LYS 10 44.107 19.020 1.995
95 HD2 LYS 10 HD2 LYS 10 46.372 18.443 1.209
96 HD3 LYS 10 HD1 LYS 10 45.951 18.978 -0.436
97 HE2 LYS 10 HE2 LYS 10 45.465 21.265 0.483
98 HE3 LYS 10 HE1 LYS 10 46.036 20.709 2.075
99 HZ1 LYS 10 HZ1 LYS 10 48.110 21.069 1.429
100 HZ2 LYS 10 HZ2 LYS 10 47.559 21.656 -0.069
101 HZ3 LYS 10 HZ3 LYS 10 47.933 20.009 0.117
102 H ILE 11 HN ILE 11 41.442 16.437 -1.466
103 HA ILE 11 HA ILE 11 40.055 19.048 -2.047
104 HB ILE 11 HB ILE 11 41.487 17.333 -4.122
105 HG12 ILE 11 HG12 ILE 11 43.018 18.585 -2.424
106 HG13 ILE 11 HG11 ILE 11 43.311 18.849 -4.151
107 HG21 ILE 11 HG21 ILE 11 39.654 18.530 -5.093
108 HG22 ILE 11 HG22 ILE 11 41.126 19.440 -5.511
109 HG23 ILE 11 HG23 ILE 11 40.061 20.020 -4.208
110 HD11 ILE 11 HD1 ILE 11 41.586 20.717 -2.465
111 HD12 ILE 11 HD2 ILE 11 42.223 21.002 -4.100
112 HD13 ILE 11 HD3 ILE 11 43.329 20.950 -2.710
113 H ILE 12 HN ILE 12 40.410 15.588 -2.872
114 HA ILE 12 HA ILE 12 37.756 15.472 -4.096
115 HB ILE 12 HB ILE 12 39.622 13.284 -3.123
116 HG12 ILE 12 HG12 ILE 12 39.238 14.308 -5.978
117 HG13 ILE 12 HG11 ILE 12 40.515 14.915 -4.904
118 HG21 ILE 12 HG21 ILE 12 38.306 11.951 -4.935
119 HG22 ILE 12 HG22 ILE 12 37.119 13.272 -4.864
120 HG23 ILE 12 HG23 ILE 12 37.460 12.297 -3.416
121 HD11 ILE 12 HD1 ILE 12 40.241 12.191 -6.195
122 HD12 ILE 12 HD2 ILE 12 41.087 12.310 -4.634
123 HD13 ILE 12 HD3 ILE 12 41.674 13.227 -6.037
124 H GLY 13 HN GLY 13 38.717 13.028 -1.724
125 HA2 GLY 13 HA1 GLY 13 36.184 13.027 -0.401
126 HA3 GLY 13 HA2 GLY 13 37.701 12.363 0.251
127 H GLY 14 HN GLY 14 38.606 15.207 -0.632
128 HA2 GLY 14 HA1 GLY 14 38.466 16.397 2.058
129 HA3 GLY 14 HA2 GLY 14 39.341 17.030 0.645
130 H ALA 15 HN ALA 15 37.361 17.191 -1.301
131 HA ALA 15 HA ALA 15 35.753 19.455 -0.175
132 HB1 ALA 15 HB1 ALA 15 35.842 18.357 -3.012
133 HB2 ALA 15 HB2 ALA 15 36.886 19.666 -2.400
134 HB3 ALA 15 HB3 ALA 15 35.125 19.893 -2.479
135 H ALA 16 HN ALA 16 35.401 16.668 0.644
136 HA ALA 16 HA ALA 16 33.584 15.387 1.270
137 HB1 ALA 16 HB1 ALA 16 31.690 16.969 -0.480
138 HB2 ALA 16 HB2 ALA 16 32.336 17.691 1.013
139 HB3 ALA 16 HB3 ALA 16 31.393 16.184 1.089
140 H LEU 17 HN LEU 17 35.342 14.729 -0.857
141 HA LEU 17 HA LEU 17 35.436 13.208 -2.621
142 HB2 LEU 17 HB2 LEU 17 33.870 11.986 -0.925
143 HB3 LEU 17 HB1 LEU 17 32.561 12.435 -2.039
144 HG LEU 17 HG LEU 17 34.217 11.391 -3.887
145 HD11 LEU 17 HD11 LEU 17 34.940 9.726 -1.438
146 HD12 LEU 17 HD12 LEU 17 36.000 11.004 -2.072
147 HD13 LEU 17 HD13 LEU 17 35.600 9.598 -3.084
148 HD21 LEU 17 HD21 LEU 17 32.485 9.801 -1.942
149 HD22 LEU 17 HD22 LEU 17 33.127 9.139 -3.464
150 HD23 LEU 17 HD23 LEU 17 31.991 10.508 -3.498
151 H ASP 18 HN ASP 18 34.974 15.752 -3.407
152 HA ASP 18 HA ASP 18 34.204 16.999 -5.196
153 HB2 ASP 18 HB2 ASP 18 35.054 14.984 -6.444
154 HB3 ASP 18 HB1 ASP 18 33.400 14.329 -6.414
155 H HIS 19 HN HIS 19 31.838 14.328 -5.497
156 HA HIS 19 HA HIS 19 29.709 15.929 -4.258
157 HB2 HIS 19 HB2 HIS 19 29.826 16.980 -6.490
158 HB3 HIS 19 HB1 HIS 19 29.647 15.383 -7.255
159 HD1 HIS 19 HD1 HIS 19 27.323 15.316 -8.180
160 HD2 HIS 19 HD2 HIS 19 27.442 16.932 -4.300
161 HE1 HIS 19 HE1 HIS 19 24.908 15.716 -7.448
162 H LEU 20 HN LEU 20 30.484 13.622 -3.297
163 HA LEU 20 HA LEU 20 29.832 11.444 -2.834
164 HB2 LEU 20 HB2 LEU 20 27.161 12.116 -4.112
165 HB3 LEU 20 HB1 LEU 20 27.497 11.050 -2.727
166 HG LEU 20 HG LEU 20 27.792 14.086 -2.796
167 HD11 LEU 20 HD11 LEU 20 25.462 13.260 -2.636
168 HD12 LEU 20 HD12 LEU 20 25.983 14.003 -1.105
169 HD13 LEU 20 HD13 LEU 20 25.919 12.231 -1.258
170 HD21 LEU 20 HD21 LEU 20 29.544 13.272 -1.375
171 HD22 LEU 20 HD22 LEU 20 28.505 11.994 -0.697
172 HD23 LEU 20 HD23 LEU 20 28.212 13.699 -0.276
Start of MODEL 37
1 H1 TRP 1 HT1 TRP 1 38.256 14.872 16.547
2 H2 TRP 1 HT2 TRP 1 37.263 14.961 17.924
3 H3 TRP 1 HT3 TRP 1 38.420 16.168 17.627
4 HA TRP 1 HA TRP 1 36.496 15.713 15.527
5 HB2 TRP 1 HB2 TRP 1 35.714 17.147 18.094
6 HB3 TRP 1 HB1 TRP 1 34.712 16.911 16.642
7 HD1 TRP 1 HD1 TRP 1 36.171 15.030 19.638
8 HE1 TRP 1 HE1 TRP 1 34.945 12.756 19.923
9 HE3 TRP 1 HE3 TRP 1 33.366 15.084 15.354
10 HZ2 TRP 1 HZ2 TRP 1 33.011 11.196 18.465
11 HZ3 TRP 1 HZ3 TRP 1 31.839 13.192 14.822
12 HH2 TRP 1 HH2 TRP 1 31.658 11.250 16.371
13 H LEU 2 HN LEU 2 37.629 16.949 14.124
14 HA LEU 2 HA LEU 2 39.040 19.341 14.933
15 HB2 LEU 2 HB2 LEU 2 38.108 18.713 12.115
16 HB3 LEU 2 HB1 LEU 2 39.552 19.618 12.630
17 HG LEU 2 HG LEU 2 39.042 16.634 13.017
18 HD11 LEU 2 HD11 LEU 2 40.986 16.407 11.492
19 HD12 LEU 2 HD12 LEU 2 41.073 18.179 11.342
20 HD13 LEU 2 HD13 LEU 2 39.659 17.300 10.713
21 HD21 LEU 2 HD21 LEU 2 41.255 18.490 13.989
22 HD22 LEU 2 HD22 LEU 2 41.509 16.738 13.805
23 HD23 LEU 2 HD23 LEU 2 40.281 17.342 14.939
24 H ARG 3 HN ARG 3 36.354 19.066 12.608
25 HA ARG 3 HA ARG 3 34.787 21.137 13.981
26 HB2 ARG 3 HB2 ARG 3 36.545 22.429 12.666
27 HB3 ARG 3 HB1 ARG 3 35.842 21.732 11.186
28 HG2 ARG 3 HG2 ARG 3 33.620 22.684 11.830
29 HG3 ARG 3 HG1 ARG 3 34.382 23.443 13.249
30 HD2 ARG 3 HD2 ARG 3 35.131 23.948 10.334
31 HD3 ARG 3 HD1 ARG 3 34.211 25.055 11.382
32 HE ARG 3 HE ARG 3 36.646 24.482 12.714
33 HH11 ARG 3 HH11 ARG 3 35.384 27.129 11.556
34 HH12 ARG 3 HH12 ARG 3 36.746 27.721 10.664
35 HH21 ARG 3 HH21 ARG 3 38.474 24.718 10.804
36 HH22 ARG 3 HH22 ARG 3 38.496 26.355 10.238
37 H ARG 4 HN ARG 4 35.443 18.778 11.566
38 HA ARG 4 HA ARG 4 32.548 18.221 11.261
39 HB2 ARG 4 HB2 ARG 4 34.376 18.861 8.905
40 HB3 ARG 4 HB1 ARG 4 32.769 18.110 8.765
41 HG2 ARG 4 HG2 ARG 4 31.844 20.127 10.036
42 HG3 ARG 4 HG1 ARG 4 33.440 20.886 9.822
43 HD2 ARG 4 HD2 ARG 4 33.234 20.616 7.362
44 HD3 ARG 4 HD1 ARG 4 31.625 19.889 7.584
45 HE ARG 4 HE ARG 4 31.554 22.384 8.899
46 HH11 ARG 4 HH11 ARG 4 29.508 22.098 6.981
47 HH12 ARG 4 HH12 ARG 4 30.005 23.051 5.624
48 HH21 ARG 4 HH21 ARG 4 33.327 23.201 6.609
49 HH22 ARG 4 HH22 ARG 4 32.168 23.675 5.413
50 H ILE 5 HN ILE 5 35.574 17.286 11.971
51 HA ILE 5 HA ILE 5 36.796 15.319 11.774
52 HB ILE 5 HB ILE 5 35.078 14.742 13.452
53 HG12 ILE 5 HG12 ILE 5 35.327 12.189 11.832
54 HG13 ILE 5 HG11 ILE 5 36.829 13.012 12.312
55 HG21 ILE 5 HG21 ILE 5 33.148 13.249 12.680
56 HG22 ILE 5 HG22 ILE 5 33.494 13.794 11.027
57 HG23 ILE 5 HG23 ILE 5 33.009 14.970 12.272
58 HD11 ILE 5 HD1 ILE 5 36.162 11.337 13.995
59 HD12 ILE 5 HD2 ILE 5 34.590 12.145 14.196
60 HD13 ILE 5 HD3 ILE 5 36.087 12.977 14.680
61 H GLY 6 HN GLY 6 35.531 16.403 9.212
62 HA2 GLY 6 HA1 GLY 6 34.977 14.060 7.588
63 HA3 GLY 6 HA2 GLY 6 35.270 15.713 7.009
64 H LYS 7 HN LYS 7 37.766 16.281 7.920
65 HA LYS 7 HA LYS 7 39.970 16.032 7.287
66 HB2 LYS 7 HB2 LYS 7 40.029 14.295 8.958
67 HB3 LYS 7 HB1 LYS 7 39.253 13.131 7.865
68 HG2 LYS 7 HG2 LYS 7 41.759 12.834 8.129
69 HG3 LYS 7 HG1 LYS 7 41.217 13.032 6.449
70 HD2 LYS 7 HD2 LYS 7 41.992 15.288 6.345
71 HD3 LYS 7 HD1 LYS 7 42.146 15.404 8.115
72 HE2 LYS 7 HE2 LYS 7 43.967 13.698 8.042
73 HE3 LYS 7 HE1 LYS 7 43.831 13.654 6.268
74 HZ1 LYS 7 HZ1 LYS 7 45.565 15.199 7.365
75 HZ2 LYS 7 HZ2 LYS 7 44.243 16.223 7.664
76 HZ3 LYS 7 HZ3 LYS 7 44.643 15.791 6.070
77 H GLY 8 HN GLY 8 38.912 12.897 5.948
78 HA2 GLY 8 HA1 GLY 8 38.952 12.107 3.776
79 HA3 GLY 8 HA2 GLY 8 38.551 13.758 3.263
80 H VAL 9 HN VAL 9 39.875 13.283 1.383
81 HA VAL 9 HA VAL 9 42.741 12.859 1.754
82 HB VAL 9 HB VAL 9 41.155 13.726 -0.707
83 HG11 VAL 9 HG11 VAL 9 43.244 12.821 -1.881
84 HG12 VAL 9 HG12 VAL 9 44.045 12.856 -0.291
85 HG13 VAL 9 HG13 VAL 9 43.455 14.367 -1.026
86 HG21 VAL 9 HG21 VAL 9 41.283 11.383 -1.349
87 HG22 VAL 9 HG22 VAL 9 40.598 11.470 0.292
88 HG23 VAL 9 HG23 VAL 9 42.302 11.007 0.061
89 H LYS 10 HN LYS 10 41.389 15.458 -0.265
90 HA LYS 10 HA LYS 10 42.276 17.619 1.433
91 HB2 LYS 10 HB2 LYS 10 44.501 16.665 0.734
92 HB3 LYS 10 HB1 LYS 10 44.066 17.026 -0.954
93 HG2 LYS 10 HG2 LYS 10 43.825 19.414 -0.408
94 HG3 LYS 10 HG1 LYS 10 44.188 19.076 1.302
95 HD2 LYS 10 HD2 LYS 10 46.425 18.242 0.680
96 HD3 LYS 10 HD1 LYS 10 46.066 18.533 -1.039
97 HE2 LYS 10 HE2 LYS 10 45.981 20.713 1.087
98 HE3 LYS 10 HE1 LYS 10 47.412 20.371 0.086
99 HZ1 LYS 10 HZ1 LYS 10 45.438 20.512 -1.745
100 HZ2 LYS 10 HZ2 LYS 10 46.467 21.799 -1.334
101 HZ3 LYS 10 HZ3 LYS 10 44.929 21.675 -0.621
102 H ILE 11 HN ILE 11 41.245 16.276 -1.609
103 HA ILE 11 HA ILE 11 39.980 18.920 -2.311
104 HB ILE 11 HB ILE 11 41.096 16.981 -4.382
105 HG12 ILE 11 HG12 ILE 11 42.387 19.493 -3.217
106 HG13 ILE 11 HG11 ILE 11 42.968 17.825 -3.003
107 HG21 ILE 11 HG21 ILE 11 39.243 18.694 -4.920
108 HG22 ILE 11 HG22 ILE 11 40.705 18.766 -5.928
109 HG23 ILE 11 HG23 ILE 11 40.465 19.951 -4.621
110 HD11 ILE 11 HD1 ILE 11 43.040 17.724 -5.605
111 HD12 ILE 11 HD2 ILE 11 44.297 18.674 -4.777
112 HD13 ILE 11 HD3 ILE 11 42.916 19.500 -5.536
113 H ILE 12 HN ILE 12 40.081 15.401 -3.004
114 HA ILE 12 HA ILE 12 37.313 15.390 -3.943
115 HB ILE 12 HB ILE 12 39.150 13.126 -3.091
116 HG12 ILE 12 HG12 ILE 12 38.542 14.039 -5.944
117 HG13 ILE 12 HG11 ILE 12 39.914 14.690 -5.023
118 HG21 ILE 12 HG21 ILE 12 36.458 13.214 -4.513
119 HG22 ILE 12 HG22 ILE 12 36.965 12.191 -3.149
120 HG23 ILE 12 HG23 ILE 12 37.569 11.853 -4.779
121 HD11 ILE 12 HD1 ILE 12 40.522 12.128 -4.652
122 HD12 ILE 12 HD2 ILE 12 40.922 12.919 -6.190
123 HD13 ILE 12 HD3 ILE 12 39.488 11.880 -6.079
124 H GLY 13 HN GLY 13 38.310 12.914 -1.638
125 HA2 GLY 13 HA1 GLY 13 35.944 13.101 -0.075
126 HA3 GLY 13 HA2 GLY 13 37.480 12.380 0.461
127 H GLY 14 HN GLY 14 38.485 15.126 -0.543
128 HA2 GLY 14 HA1 GLY 14 38.624 16.385 2.106
129 HA3 GLY 14 HA2 GLY 14 39.396 16.946 0.605
130 H ALA 15 HN ALA 15 37.274 17.180 -1.165
131 HA ALA 15 HA ALA 15 35.865 19.527 0.060
132 HB1 ALA 15 HB1 ALA 15 35.659 18.399 -2.759
133 HB2 ALA 15 HB2 ALA 15 36.822 19.653 -2.257
134 HB3 ALA 15 HB3 ALA 15 35.076 19.977 -2.186
135 H ALA 16 HN ALA 16 35.461 16.769 0.948
136 HA ALA 16 HA ALA 16 33.653 15.563 1.728
137 HB1 ALA 16 HB1 ALA 16 32.493 17.923 1.571
138 HB2 ALA 16 HB2 ALA 16 31.492 16.460 1.733
139 HB3 ALA 16 HB3 ALA 16 31.689 17.231 0.143
140 H LEU 17 HN LEU 17 35.190 14.839 -0.543
141 HA LEU 17 HA LEU 17 35.074 13.283 -2.265
142 HB2 LEU 17 HB2 LEU 17 33.313 12.347 -0.431
143 HB3 LEU 17 HB1 LEU 17 32.170 12.635 -1.755
144 HG LEU 17 HG LEU 17 34.726 10.968 -1.961
145 HD11 LEU 17 HD11 LEU 17 31.785 10.185 -1.770
146 HD12 LEU 17 HD12 LEU 17 33.051 9.861 -0.561
147 HD13 LEU 17 HD13 LEU 17 33.111 9.061 -2.149
148 HD21 LEU 17 HD21 LEU 17 34.136 11.979 -4.109
149 HD22 LEU 17 HD22 LEU 17 32.435 11.496 -3.908
150 HD23 LEU 17 HD23 LEU 17 33.691 10.258 -4.143
151 H ASP 18 HN ASP 18 34.823 15.846 -3.026
152 HA ASP 18 HA ASP 18 34.109 17.178 -4.775
153 HB2 ASP 18 HB2 ASP 18 34.660 15.068 -6.055
154 HB3 ASP 18 HB1 ASP 18 32.935 14.637 -5.966
155 H HIS 19 HN HIS 19 31.451 14.782 -4.944
156 HA HIS 19 HA HIS 19 29.581 16.602 -3.595
157 HB2 HIS 19 HB2 HIS 19 28.097 16.890 -5.546
158 HB3 HIS 19 HB1 HIS 19 29.689 17.631 -5.841
159 HD1 HIS 19 HD1 HIS 19 31.463 15.503 -6.823
160 HD2 HIS 19 HD2 HIS 19 27.397 15.620 -7.892
161 HE1 HIS 19 HE1 HIS 19 31.190 14.100 -8.941
162 H LEU 20 HN LEU 20 30.420 14.022 -2.985
163 HA LEU 20 HA LEU 20 29.602 11.893 -2.564
164 HB2 LEU 20 HB2 LEU 20 26.820 13.029 -2.993
165 HB3 LEU 20 HB1 LEU 20 27.345 11.768 -1.852
166 HG LEU 20 HG LEU 20 28.032 14.738 -1.737
167 HD11 LEU 20 HD11 LEU 20 26.443 12.914 0.124
168 HD12 LEU 20 HD12 LEU 20 25.746 14.122 -0.982
169 HD13 LEU 20 HD13 LEU 20 26.761 14.646 0.383
170 HD21 LEU 20 HD21 LEU 20 29.079 14.010 0.510
171 HD22 LEU 20 HD22 LEU 20 29.985 13.583 -0.960
172 HD23 LEU 20 HD23 LEU 20 29.016 12.347 -0.123
Start of MODEL 38
1 H1 TRP 1 HT1 TRP 1 35.787 2.922 13.283
2 H2 TRP 1 HT2 TRP 1 36.996 2.755 12.101
3 H3 TRP 1 HT3 TRP 1 35.449 2.106 11.837
4 HA TRP 1 HA TRP 1 35.272 3.963 10.617
5 HB2 TRP 1 HB2 TRP 1 34.075 5.680 11.974
6 HB3 TRP 1 HB1 TRP 1 33.507 4.027 12.306
7 HD1 TRP 1 HD1 TRP 1 33.998 3.005 14.666
8 HE1 TRP 1 HE1 TRP 1 34.853 3.983 16.918
9 HE3 TRP 1 HE3 TRP 1 35.716 7.524 12.983
10 HZ2 TRP 1 HZ2 TRP 1 36.110 6.407 17.832
11 HZ3 TRP 1 HZ3 TRP 1 36.739 9.154 14.563
12 HH2 TRP 1 HH2 TRP 1 36.938 8.600 16.984
13 H LEU 2 HN LEU 2 36.481 5.466 9.677
14 HA LEU 2 HA LEU 2 38.978 6.296 10.836
15 HB2 LEU 2 HB2 LEU 2 37.359 7.183 8.430
16 HB3 LEU 2 HB1 LEU 2 38.867 8.015 8.878
17 HG LEU 2 HG LEU 2 40.095 5.867 8.760
18 HD11 LEU 2 HD11 LEU 2 38.807 3.934 7.603
19 HD12 LEU 2 HD12 LEU 2 37.327 4.796 8.089
20 HD13 LEU 2 HD13 LEU 2 38.470 4.219 9.325
21 HD21 LEU 2 HD21 LEU 2 39.761 7.371 6.739
22 HD22 LEU 2 HD22 LEU 2 38.427 6.302 6.245
23 HD23 LEU 2 HD23 LEU 2 40.087 5.666 6.343
24 H ARG 3 HN ARG 3 36.675 8.650 9.591
25 HA ARG 3 HA ARG 3 36.082 9.876 12.148
26 HB2 ARG 3 HB2 ARG 3 38.493 10.535 11.903
27 HB3 ARG 3 HB1 ARG 3 38.078 11.340 10.371
28 HG2 ARG 3 HG2 ARG 3 36.578 12.874 11.500
29 HG3 ARG 3 HG1 ARG 3 36.741 11.981 13.033
30 HD2 ARG 3 HD2 ARG 3 39.048 13.349 11.581
31 HD3 ARG 3 HD1 ARG 3 38.154 14.061 12.946
32 HE ARG 3 HE ARG 3 40.158 11.939 13.122
33 HH11 ARG 3 HH11 ARG 3 39.078 14.255 15.017
34 HH12 ARG 3 HH12 ARG 3 38.635 13.290 16.387
35 HH21 ARG 3 HH21 ARG 3 38.835 10.284 14.668
36 HH22 ARG 3 HH22 ARG 3 38.499 11.042 16.189
37 H ARG 4 HN ARG 4 36.078 9.558 8.759
38 HA ARG 4 HA ARG 4 33.560 11.121 8.562
39 HB2 ARG 4 HB2 ARG 4 35.908 11.609 6.679
40 HB3 ARG 4 HB1 ARG 4 34.311 12.394 6.630
41 HG2 ARG 4 HG2 ARG 4 34.777 13.247 8.988
42 HG3 ARG 4 HG1 ARG 4 36.447 12.664 8.783
43 HD2 ARG 4 HD2 ARG 4 36.336 15.038 8.187
44 HD3 ARG 4 HD1 ARG 4 36.654 14.073 6.727
45 HE ARG 4 HE ARG 4 33.813 14.491 7.081
46 HH11 ARG 4 HH11 ARG 4 34.545 17.271 7.402
47 HH12 ARG 4 HH12 ARG 4 34.770 17.838 5.781
48 HH21 ARG 4 HH21 ARG 4 35.062 14.660 4.426
49 HH22 ARG 4 HH22 ARG 4 35.061 16.360 4.096
50 H ILE 5 HN ILE 5 35.404 8.412 8.048
51 HA ILE 5 HA ILE 5 35.124 6.534 6.719
52 HB ILE 5 HB ILE 5 32.370 7.655 6.048
53 HG12 ILE 5 HG12 ILE 5 32.502 7.774 8.436
54 HG13 ILE 5 HG11 ILE 5 31.624 6.276 8.081
55 HG21 ILE 5 HG21 ILE 5 32.745 5.751 4.708
56 HG22 ILE 5 HG22 ILE 5 31.879 5.087 6.108
57 HG23 ILE 5 HG23 ILE 5 33.640 4.893 5.977
58 HD11 ILE 5 HD1 ILE 5 33.196 5.684 9.769
59 HD12 ILE 5 HD2 ILE 5 34.505 6.606 8.993
60 HD13 ILE 5 HD3 ILE 5 33.926 5.093 8.262
61 H GLY 6 HN GLY 6 36.760 7.830 5.384
62 HA2 GLY 6 HA1 GLY 6 36.417 7.346 2.686
63 HA3 GLY 6 HA2 GLY 6 35.765 8.984 2.892
64 H LYS 7 HN LYS 7 37.968 8.761 5.283
65 HA LYS 7 HA LYS 7 40.044 9.773 5.540
66 HB2 LYS 7 HB2 LYS 7 40.610 7.545 4.437
67 HB3 LYS 7 HB1 LYS 7 40.740 8.433 2.900
68 HG2 LYS 7 HG2 LYS 7 42.379 10.008 4.129
69 HG3 LYS 7 HG1 LYS 7 42.414 8.785 5.419
70 HD2 LYS 7 HD2 LYS 7 43.139 8.336 2.489
71 HD3 LYS 7 HD1 LYS 7 44.279 8.422 3.852
72 HE2 LYS 7 HE2 LYS 7 42.213 6.280 3.251
73 HE3 LYS 7 HE1 LYS 7 43.964 6.095 3.493
74 HZ1 LYS 7 HZ1 LYS 7 42.648 5.399 5.434
75 HZ2 LYS 7 HZ2 LYS 7 42.047 6.981 5.592
76 HZ3 LYS 7 HZ3 LYS 7 43.705 6.675 5.798
77 H GLY 8 HN GLY 8 38.810 11.820 5.062
78 HA2 GLY 8 HA1 GLY 8 38.718 13.095 2.585
79 HA3 GLY 8 HA2 GLY 8 38.923 13.937 4.134
80 H VAL 9 HN VAL 9 40.244 13.376 1.112
81 HA VAL 9 HA VAL 9 43.068 13.472 1.855
82 HB VAL 9 HB VAL 9 41.704 14.027 -0.819
83 HG11 VAL 9 HG11 VAL 9 43.896 15.031 -0.840
84 HG12 VAL 9 HG12 VAL 9 44.050 13.468 -1.676
85 HG13 VAL 9 HG13 VAL 9 44.611 13.639 0.005
86 HG21 VAL 9 HG21 VAL 9 42.425 11.715 -1.350
87 HG22 VAL 9 HG22 VAL 9 41.329 11.734 0.052
88 HG23 VAL 9 HG23 VAL 9 43.082 11.541 0.295
89 H LYS 10 HN LYS 10 41.541 15.772 -0.399
90 HA LYS 10 HA LYS 10 41.834 18.066 1.333
91 HB2 LYS 10 HB2 LYS 10 44.262 17.451 0.861
92 HB3 LYS 10 HB1 LYS 10 43.945 17.851 -0.842
93 HG2 LYS 10 HG2 LYS 10 43.178 20.128 -0.134
94 HG3 LYS 10 HG1 LYS 10 43.610 19.731 1.543
95 HD2 LYS 10 HD2 LYS 10 45.695 19.423 -0.652
96 HD3 LYS 10 HD1 LYS 10 45.337 21.038 -0.005
97 HE2 LYS 10 HE2 LYS 10 46.043 18.662 1.770
98 HE3 LYS 10 HE1 LYS 10 47.246 19.814 1.150
99 HZ1 LYS 10 HZ1 LYS 10 46.573 20.565 3.278
100 HZ2 LYS 10 HZ2 LYS 10 44.923 20.394 2.911
101 HZ3 LYS 10 HZ3 LYS 10 45.844 21.603 2.153
102 H ILE 11 HN ILE 11 41.416 16.564 -1.796
103 HA ILE 11 HA ILE 11 39.966 19.035 -2.762
104 HB ILE 11 HB ILE 11 41.204 16.904 -4.558
105 HG12 ILE 11 HG12 ILE 11 42.851 19.046 -4.951
106 HG13 ILE 11 HG11 ILE 11 42.461 19.332 -3.243
107 HG21 ILE 11 HG21 ILE 11 40.229 19.757 -5.035
108 HG22 ILE 11 HG22 ILE 11 39.364 18.269 -5.488
109 HG23 ILE 11 HG23 ILE 11 40.911 18.672 -6.269
110 HD11 ILE 11 HD1 ILE 11 43.835 16.935 -4.506
111 HD12 ILE 11 HD2 ILE 11 43.075 16.810 -2.905
112 HD13 ILE 11 HD3 ILE 11 44.400 17.966 -3.172
113 H ILE 12 HN ILE 12 40.175 15.493 -3.385
114 HA ILE 12 HA ILE 12 37.377 15.406 -4.212
115 HB ILE 12 HB ILE 12 39.309 13.181 -3.478
116 HG12 ILE 12 HG12 ILE 12 38.607 13.961 -6.339
117 HG13 ILE 12 HG11 ILE 12 39.845 14.888 -5.466
118 HG21 ILE 12 HG21 ILE 12 37.225 12.084 -3.518
119 HG22 ILE 12 HG22 ILE 12 37.656 11.968 -5.234
120 HG23 ILE 12 HG23 ILE 12 36.524 13.224 -4.689
121 HD11 ILE 12 HD1 ILE 12 39.962 11.853 -5.584
122 HD12 ILE 12 HD2 ILE 12 41.267 13.006 -5.222
123 HD13 ILE 12 HD3 ILE 12 40.640 12.862 -6.882
124 H GLY 13 HN GLY 13 38.444 12.848 -2.063
125 HA2 GLY 13 HA1 GLY 13 36.150 12.904 -0.422
126 HA3 GLY 13 HA2 GLY 13 37.726 12.235 0.056
127 H GLY 14 HN GLY 14 38.636 15.033 -0.822
128 HA2 GLY 14 HA1 GLY 14 38.726 16.192 1.872
129 HA3 GLY 14 HA2 GLY 14 39.472 16.843 0.395
130 H ALA 15 HN ALA 15 37.356 17.094 -1.369
131 HA ALA 15 HA ALA 15 35.847 19.314 -0.030
132 HB1 ALA 15 HB1 ALA 15 36.815 19.586 -2.340
133 HB2 ALA 15 HB2 ALA 15 35.063 19.873 -2.245
134 HB3 ALA 15 HB3 ALA 15 35.675 18.341 -2.908
135 H ALA 16 HN ALA 16 35.537 16.520 0.731
136 HA ALA 16 HA ALA 16 33.771 15.214 1.441
137 HB1 ALA 16 HB1 ALA 16 31.763 16.872 -0.101
138 HB2 ALA 16 HB2 ALA 16 32.521 17.527 1.369
139 HB3 ALA 16 HB3 ALA 16 31.575 16.022 1.450
140 H LEU 17 HN LEU 17 35.352 14.641 -0.850
141 HA LEU 17 HA LEU 17 35.306 13.145 -2.628
142 HB2 LEU 17 HB2 LEU 17 33.596 12.066 -0.831
143 HB3 LEU 17 HB1 LEU 17 32.431 12.361 -2.136
144 HG LEU 17 HG LEU 17 35.054 10.819 -2.455
145 HD11 LEU 17 HD11 LEU 17 33.443 9.630 -1.007
146 HD12 LEU 17 HD12 LEU 17 33.589 8.825 -2.588
147 HD13 LEU 17 HD13 LEU 17 32.173 9.844 -2.233
148 HD21 LEU 17 HD21 LEU 17 32.660 11.275 -4.295
149 HD22 LEU 17 HD22 LEU 17 33.967 10.110 -4.613
150 HD23 LEU 17 HD23 LEU 17 34.325 11.850 -4.553
151 H ASP 18 HN ASP 18 34.888 15.756 -3.264
152 HA ASP 18 HA ASP 18 34.028 17.138 -4.915
153 HB2 ASP 18 HB2 ASP 18 33.526 14.437 -6.223
154 HB3 ASP 18 HB1 ASP 18 33.377 16.002 -7.058
155 H HIS 19 HN HIS 19 31.762 14.506 -5.655
156 HA HIS 19 HA HIS 19 29.567 15.743 -4.156
157 HB2 HIS 19 HB2 HIS 19 29.807 17.225 -6.197
158 HB3 HIS 19 HB1 HIS 19 29.422 15.804 -7.195
159 HD1 HIS 19 HD1 HIS 19 27.381 17.836 -7.601
160 HD2 HIS 19 HD2 HIS 19 27.217 15.274 -4.272
161 HE1 HIS 19 HE1 HIS 19 24.977 17.862 -6.739
162 H LEU 20 HN LEU 20 30.553 13.251 -3.873
163 HA LEU 20 HA LEU 20 30.009 10.996 -4.000
164 HB2 LEU 20 HB2 LEU 20 27.315 12.356 -4.353
165 HB3 LEU 20 HB1 LEU 20 27.458 10.584 -4.297
166 HG LEU 20 HG LEU 20 28.626 10.776 -2.090
167 HD11 LEU 20 HD11 LEU 20 29.609 12.944 -2.113
168 HD12 LEU 20 HD12 LEU 20 28.288 13.080 -0.932
169 HD13 LEU 20 HD13 LEU 20 28.083 13.732 -2.577
170 HD21 LEU 20 HD21 LEU 20 25.943 12.228 -2.152
171 HD22 LEU 20 HD22 LEU 20 26.613 11.273 -0.808
172 HD23 LEU 20 HD23 LEU 20 26.130 10.467 -2.319
Start of MODEL 39
1 H1 TRP 1 HT1 TRP 1 36.581 21.636 7.076
2 H2 TRP 1 HT2 TRP 1 36.062 22.238 8.578
3 H3 TRP 1 HT3 TRP 1 34.946 21.532 7.510
4 HA TRP 1 HA TRP 1 37.238 20.057 8.611
5 HB2 TRP 1 HB2 TRP 1 34.399 20.165 9.704
6 HB3 TRP 1 HB1 TRP 1 35.735 19.163 10.318
7 HD1 TRP 1 HD1 TRP 1 38.086 20.983 10.629
8 HE1 TRP 1 HE1 TRP 1 38.116 23.076 12.173
9 HE3 TRP 1 HE3 TRP 1 33.046 21.817 10.955
10 HZ2 TRP 1 HZ2 TRP 1 36.190 24.851 13.369
11 HZ3 TRP 1 HZ3 TRP 1 32.164 23.716 12.304
12 HH2 TRP 1 HH2 TRP 1 33.729 25.232 13.510
13 H LEU 2 HN LEU 2 36.810 17.726 8.555
14 HA LEU 2 HA LEU 2 35.792 16.939 5.967
15 HB2 LEU 2 HB2 LEU 2 36.282 15.094 8.327
16 HB3 LEU 2 HB1 LEU 2 36.429 14.729 6.591
17 HG LEU 2 HG LEU 2 38.207 16.591 8.228
18 HD11 LEU 2 HD11 LEU 2 38.617 14.152 8.504
19 HD12 LEU 2 HD12 LEU 2 39.961 14.952 7.655
20 HD13 LEU 2 HD13 LEU 2 38.778 13.988 6.740
21 HD21 LEU 2 HD21 LEU 2 39.522 16.637 5.986
22 HD22 LEU 2 HD22 LEU 2 38.045 17.621 6.077
23 HD23 LEU 2 HD23 LEU 2 38.018 16.054 5.233
24 H ARG 3 HN ARG 3 34.240 17.797 8.782
25 HA ARG 3 HA ARG 3 31.989 17.766 9.314
26 HB2 ARG 3 HB2 ARG 3 31.731 17.496 6.704
27 HB3 ARG 3 HB1 ARG 3 31.350 15.803 7.088
28 HG2 ARG 3 HG2 ARG 3 29.622 16.673 8.746
29 HG3 ARG 3 HG1 ARG 3 29.900 18.296 8.069
30 HD2 ARG 3 HD2 ARG 3 28.844 15.831 6.632
31 HD3 ARG 3 HD1 ARG 3 28.019 17.388 6.880
32 HE ARG 3 HE ARG 3 30.453 17.829 5.425
33 HH11 ARG 3 HH11 ARG 3 27.543 18.716 4.834
34 HH12 ARG 3 HH12 ARG 3 27.311 17.994 3.276
35 HH21 ARG 3 HH21 ARG 3 30.066 15.906 3.541
36 HH22 ARG 3 HH22 ARG 3 28.739 16.403 2.546
37 H ARG 4 HN ARG 4 32.846 14.502 8.033
38 HA ARG 4 HA ARG 4 31.539 13.253 10.379
39 HB2 ARG 4 HB2 ARG 4 32.155 11.134 9.279
40 HB3 ARG 4 HB1 ARG 4 31.324 12.228 8.147
41 HG2 ARG 4 HG2 ARG 4 33.599 12.995 7.341
42 HG3 ARG 4 HG1 ARG 4 34.321 11.713 8.344
43 HD2 ARG 4 HD2 ARG 4 34.005 10.976 5.984
44 HD3 ARG 4 HD1 ARG 4 33.042 10.002 7.119
45 HE ARG 4 HE ARG 4 31.532 12.257 6.070
46 HH11 ARG 4 HH11 ARG 4 30.377 9.552 6.599
47 HH12 ARG 4 HH12 ARG 4 30.122 8.941 4.999
48 HH21 ARG 4 HH21 ARG 4 32.205 11.268 3.492
49 HH22 ARG 4 HH22 ARG 4 31.157 9.912 3.240
50 H ILE 5 HN ILE 5 34.626 14.468 9.526
51 HA ILE 5 HA ILE 5 36.723 14.239 10.500
52 HB ILE 5 HB ILE 5 35.219 13.465 13.035
53 HG12 ILE 5 HG12 ILE 5 35.642 16.228 11.803
54 HG13 ILE 5 HG11 ILE 5 34.082 15.393 11.992
55 HG21 ILE 5 HG21 ILE 5 37.678 15.227 12.674
56 HG22 ILE 5 HG22 ILE 5 37.793 13.465 12.896
57 HG23 ILE 5 HG23 ILE 5 37.072 14.476 14.170
58 HD11 ILE 5 HD1 ILE 5 35.896 16.523 14.150
59 HD12 ILE 5 HD2 ILE 5 34.668 15.290 14.529
60 HD13 ILE 5 HD3 ILE 5 34.175 16.862 13.854
61 H GLY 6 HN GLY 6 36.597 12.168 9.031
62 HA2 GLY 6 HA1 GLY 6 37.903 10.075 10.557
63 HA3 GLY 6 HA2 GLY 6 36.273 9.593 10.044
64 H LYS 7 HN LYS 7 36.915 11.619 7.672
65 HA LYS 7 HA LYS 7 38.912 10.097 6.152
66 HB2 LYS 7 HB2 LYS 7 36.878 8.618 6.050
67 HB3 LYS 7 HB1 LYS 7 36.013 9.949 5.245
68 HG2 LYS 7 HG2 LYS 7 37.606 9.944 3.400
69 HG3 LYS 7 HG1 LYS 7 38.619 8.737 4.229
70 HD2 LYS 7 HD2 LYS 7 36.726 7.119 4.152
71 HD3 LYS 7 HD1 LYS 7 35.756 8.320 3.265
72 HE2 LYS 7 HE2 LYS 7 38.447 7.241 2.322
73 HE3 LYS 7 HE1 LYS 7 36.869 6.645 1.757
74 HZ1 LYS 7 HZ1 LYS 7 37.642 9.507 1.607
75 HZ2 LYS 7 HZ2 LYS 7 36.363 8.721 0.811
76 HZ3 LYS 7 HZ3 LYS 7 37.970 8.410 0.355
77 H GLY 8 HN GLY 8 39.742 11.267 4.520
78 HA2 GLY 8 HA1 GLY 8 38.607 13.040 2.786
79 HA3 GLY 8 HA2 GLY 8 38.791 14.039 4.242
80 H VAL 9 HN VAL 9 40.204 13.269 1.364
81 HA VAL 9 HA VAL 9 42.988 13.126 2.296
82 HB VAL 9 HB VAL 9 42.370 11.978 0.230
83 HG11 VAL 9 HG11 VAL 9 41.393 12.958 -1.645
84 HG12 VAL 9 HG12 VAL 9 41.986 14.585 -1.259
85 HG13 VAL 9 HG13 VAL 9 40.615 13.898 -0.354
86 HG21 VAL 9 HG21 VAL 9 44.159 14.373 -0.398
87 HG22 VAL 9 HG22 VAL 9 44.199 12.770 -1.168
88 HG23 VAL 9 HG23 VAL 9 44.672 12.949 0.537
89 H LYS 10 HN LYS 10 41.341 15.501 0.124
90 HA LYS 10 HA LYS 10 42.081 17.798 1.651
91 HB2 LYS 10 HB2 LYS 10 44.407 17.211 1.086
92 HB3 LYS 10 HB1 LYS 10 43.982 17.127 -0.638
93 HG2 LYS 10 HG2 LYS 10 43.534 19.486 -0.737
94 HG3 LYS 10 HG1 LYS 10 43.569 19.637 1.036
95 HD2 LYS 10 HD2 LYS 10 45.962 19.098 1.069
96 HD3 LYS 10 HD1 LYS 10 45.951 18.827 -0.689
97 HE2 LYS 10 HE2 LYS 10 45.284 21.461 0.696
98 HE3 LYS 10 HE1 LYS 10 46.816 21.086 -0.127
99 HZ1 LYS 10 HZ1 LYS 10 44.259 21.809 -1.241
100 HZ2 LYS 10 HZ2 LYS 10 44.945 20.441 -1.977
101 HZ3 LYS 10 HZ3 LYS 10 45.807 21.903 -1.926
102 H ILE 11 HN ILE 11 41.521 16.334 -1.533
103 HA ILE 11 HA ILE 11 39.958 18.795 -2.336
104 HB ILE 11 HB ILE 11 41.240 16.787 -4.230
105 HG12 ILE 11 HG12 ILE 11 42.351 19.429 -3.170
106 HG13 ILE 11 HG11 ILE 11 43.027 17.809 -2.880
107 HG21 ILE 11 HG21 ILE 11 40.811 18.446 -5.909
108 HG22 ILE 11 HG22 ILE 11 40.456 19.696 -4.692
109 HG23 ILE 11 HG23 ILE 11 39.318 18.352 -4.950
110 HD11 ILE 11 HD1 ILE 11 44.343 18.674 -4.657
111 HD12 ILE 11 HD2 ILE 11 42.933 19.384 -5.476
112 HD13 ILE 11 HD3 ILE 11 43.167 17.618 -5.475
113 H ILE 12 HN ILE 12 40.250 15.248 -2.903
114 HA ILE 12 HA ILE 12 37.518 15.087 -3.910
115 HB ILE 12 HB ILE 12 39.370 12.921 -2.868
116 HG12 ILE 12 HG12 ILE 12 40.510 14.123 -4.634
117 HG13 ILE 12 HG11 ILE 12 39.956 12.576 -5.305
118 HG21 ILE 12 HG21 ILE 12 37.327 11.802 -3.053
119 HG22 ILE 12 HG22 ILE 12 37.901 11.613 -4.723
120 HG23 ILE 12 HG23 ILE 12 36.715 12.879 -4.327
121 HD11 ILE 12 HD1 ILE 12 37.837 13.947 -6.063
122 HD12 ILE 12 HD2 ILE 12 39.348 14.124 -6.981
123 HD13 ILE 12 HD3 ILE 12 38.875 15.368 -5.802
124 H GLY 13 HN GLY 13 38.430 12.698 -1.503
125 HA2 GLY 13 HA1 GLY 13 36.010 12.871 -0.056
126 HA3 GLY 13 HA2 GLY 13 37.543 12.242 0.590
127 H GLY 14 HN GLY 14 38.511 14.995 -0.441
128 HA2 GLY 14 HA1 GLY 14 38.401 16.338 2.171
129 HA3 GLY 14 HA2 GLY 14 39.254 16.890 0.711
130 H ALA 15 HN ALA 15 37.261 16.972 -1.207
131 HA ALA 15 HA ALA 15 35.641 19.271 -0.158
132 HB1 ALA 15 HB1 ALA 15 35.723 18.127 -2.974
133 HB2 ALA 15 HB2 ALA 15 36.828 19.397 -2.386
134 HB3 ALA 15 HB3 ALA 15 35.078 19.701 -2.458
135 H ALA 16 HN ALA 16 35.272 16.570 0.783
136 HA ALA 16 HA ALA 16 33.470 15.265 1.390
137 HB1 ALA 16 HB1 ALA 16 32.216 17.549 1.087
138 HB2 ALA 16 HB2 ALA 16 31.271 16.042 1.146
139 HB3 ALA 16 HB3 ALA 16 31.605 16.822 -0.417
140 H LEU 17 HN LEU 17 35.246 14.526 -0.671
141 HA LEU 17 HA LEU 17 35.360 12.905 -2.333
142 HB2 LEU 17 HB2 LEU 17 33.512 11.884 -0.749
143 HB3 LEU 17 HB1 LEU 17 32.399 12.329 -2.060
144 HG LEU 17 HG LEU 17 34.210 11.083 -3.599
145 HD11 LEU 17 HD11 LEU 17 34.552 9.619 -0.944
146 HD12 LEU 17 HD12 LEU 17 35.769 10.727 -1.615
147 HD13 LEU 17 HD13 LEU 17 35.339 9.244 -2.493
148 HD21 LEU 17 HD21 LEU 17 32.948 8.959 -3.282
149 HD22 LEU 17 HD22 LEU 17 31.863 10.368 -3.337
150 HD23 LEU 17 HD23 LEU 17 32.255 9.608 -1.777
151 H ASP 18 HN ASP 18 35.279 15.372 -3.268
152 HA ASP 18 HA ASP 18 34.854 16.592 -5.180
153 HB2 ASP 18 HB2 ASP 18 35.263 14.308 -6.246
154 HB3 ASP 18 HB1 ASP 18 33.496 14.122 -6.319
155 H HIS 19 HN HIS 19 31.996 14.426 -5.328
156 HA HIS 19 HA HIS 19 30.238 16.618 -4.386
157 HB2 HIS 19 HB2 HIS 19 30.586 17.040 -6.847
158 HB3 HIS 19 HB1 HIS 19 29.879 15.438 -7.170
159 HD1 HIS 19 HD1 HIS 19 28.492 17.376 -4.282
160 HD2 HIS 19 HD2 HIS 19 27.624 16.865 -8.365
161 HE1 HIS 19 HE1 HIS 19 26.123 18.250 -4.673
162 H LEU 20 HN LEU 20 30.872 14.138 -3.243
163 HA LEU 20 HA LEU 20 29.856 12.229 -2.411
164 HB2 LEU 20 HB2 LEU 20 28.181 14.081 -1.807
165 HB3 LEU 20 HB1 LEU 20 27.230 13.535 -3.205
166 HG LEU 20 HG LEU 20 27.498 11.126 -2.084
167 HD11 LEU 20 HD11 LEU 20 29.035 11.791 -0.281
168 HD12 LEU 20 HD12 LEU 20 27.478 11.297 0.418
169 HD13 LEU 20 HD13 LEU 20 27.882 13.023 0.282
170 HD21 LEU 20 HD21 LEU 20 25.651 13.317 -1.038
171 HD22 LEU 20 HD22 LEU 20 25.420 11.581 -0.727
172 HD23 LEU 20 HD23 LEU 20 25.335 12.206 -2.390
Start of MODEL 40
1 H1 TRP 1 HT1 TRP 1 46.610 10.730 15.660
2 H2 TRP 1 HT2 TRP 1 45.654 11.680 14.626
3 H3 TRP 1 HT3 TRP 1 47.304 12.033 14.826
4 HA TRP 1 HA TRP 1 46.994 10.977 12.747
5 HB2 TRP 1 HB2 TRP 1 48.434 8.940 13.145
6 HB3 TRP 1 HB1 TRP 1 49.066 10.440 13.866
7 HD1 TRP 1 HD1 TRP 1 47.880 6.988 14.731
8 HE1 TRP 1 HE1 TRP 1 47.991 6.595 17.300
9 HE3 TRP 1 HE3 TRP 1 48.766 11.798 16.245
10 HZ2 TRP 1 HZ2 TRP 1 48.408 8.181 19.667
11 HZ3 TRP 1 HZ3 TRP 1 49.016 12.335 18.664
12 HH2 TRP 1 HH2 TRP 1 48.839 10.533 20.374
13 H LEU 2 HN LEU 2 45.122 10.319 11.852
14 HA LEU 2 HA LEU 2 43.423 8.330 13.126
15 HB2 LEU 2 HB2 LEU 2 43.290 9.165 10.214
16 HB3 LEU 2 HB1 LEU 2 41.966 8.639 11.282
17 HG LEU 2 HG LEU 2 43.562 11.230 11.504
18 HD11 LEU 2 HD11 LEU 2 41.882 11.197 9.689
19 HD12 LEU 2 HD12 LEU 2 41.364 12.272 11.010
20 HD13 LEU 2 HD13 LEU 2 40.638 10.655 10.842
21 HD21 LEU 2 HD21 LEU 2 43.051 10.570 13.750
22 HD22 LEU 2 HD22 LEU 2 41.445 9.954 13.287
23 HD23 LEU 2 HD23 LEU 2 41.759 11.707 13.299
24 H ARG 3 HN ARG 3 44.845 8.246 9.852
25 HA ARG 3 HA ARG 3 46.010 5.574 10.341
26 HB2 ARG 3 HB2 ARG 3 43.566 5.167 9.776
27 HB3 ARG 3 HB1 ARG 3 43.873 5.929 8.198
28 HG2 ARG 3 HG2 ARG 3 45.521 4.240 7.626
29 HG3 ARG 3 HG1 ARG 3 45.450 3.546 9.264
30 HD2 ARG 3 HD2 ARG 3 44.110 2.196 7.693
31 HD3 ARG 3 HD1 ARG 3 43.064 2.965 8.914
32 HE ARG 3 HE ARG 3 43.422 4.142 6.161
33 HH11 ARG 3 HH11 ARG 3 41.773 5.834 7.780
34 HH12 ARG 3 HH12 ARG 3 40.168 5.219 7.563
35 HH21 ARG 3 HH21 ARG 3 41.224 2.156 6.325
36 HH22 ARG 3 HH22 ARG 3 39.857 3.137 6.741
37 H ARG 4 HN ARG 4 45.656 8.556 8.784
38 HA ARG 4 HA ARG 4 48.109 8.065 7.175
39 HB2 ARG 4 HB2 ARG 4 45.537 9.164 5.958
40 HB3 ARG 4 HB1 ARG 4 47.113 9.025 5.142
41 HG2 ARG 4 HG2 ARG 4 47.018 6.519 5.646
42 HG3 ARG 4 HG1 ARG 4 45.326 6.770 6.138
43 HD2 ARG 4 HD2 ARG 4 44.799 7.695 3.911
44 HD3 ARG 4 HD1 ARG 4 46.493 7.479 3.411
45 HE ARG 4 HE ARG 4 45.861 5.272 2.898
46 HH11 ARG 4 HH11 ARG 4 45.771 3.435 4.633
47 HH12 ARG 4 HH12 ARG 4 44.194 3.274 5.331
48 HH21 ARG 4 HH21 ARG 4 43.097 6.372 4.223
49 HH22 ARG 4 HH22 ARG 4 42.680 4.937 5.100
50 H ILE 5 HN ILE 5 46.417 9.785 9.394
51 HA ILE 5 HA ILE 5 46.628 11.921 10.256
52 HB ILE 5 HB ILE 5 49.183 12.241 8.626
53 HG12 ILE 5 HG12 ILE 5 48.736 10.618 11.175
54 HG13 ILE 5 HG11 ILE 5 49.245 9.986 9.593
55 HG21 ILE 5 HG21 ILE 5 48.591 13.046 11.504
56 HG22 ILE 5 HG22 ILE 5 48.181 14.099 10.130
57 HG23 ILE 5 HG23 ILE 5 49.875 13.648 10.428
58 HD11 ILE 5 HD1 ILE 5 50.801 11.757 11.508
59 HD12 ILE 5 HD2 ILE 5 51.251 11.624 9.789
60 HD13 ILE 5 HD3 ILE 5 51.266 10.180 10.830
61 H GLY 6 HN GLY 6 44.877 11.825 8.217
62 HA2 GLY 6 HA1 GLY 6 43.874 13.067 6.538
63 HA3 GLY 6 HA2 GLY 6 44.535 14.456 7.420
64 H LYS 7 HN LYS 7 46.555 11.997 5.882
65 HA LYS 7 HA LYS 7 47.832 14.099 4.256
66 HB2 LYS 7 HB2 LYS 7 48.301 11.110 4.572
67 HB3 LYS 7 HB1 LYS 7 49.250 12.131 3.469
68 HG2 LYS 7 HG2 LYS 7 48.956 12.964 6.377
69 HG3 LYS 7 HG1 LYS 7 50.112 11.685 5.951
70 HD2 LYS 7 HD2 LYS 7 51.169 13.232 4.287
71 HD3 LYS 7 HD1 LYS 7 50.063 14.520 4.819
72 HE2 LYS 7 HE2 LYS 7 50.938 14.155 7.181
73 HE3 LYS 7 HE1 LYS 7 52.183 13.096 6.476
74 HZ1 LYS 7 HZ1 LYS 7 51.726 15.969 5.841
75 HZ2 LYS 7 HZ2 LYS 7 52.842 14.971 5.041
76 HZ3 LYS 7 HZ3 LYS 7 53.040 15.317 6.693
77 H GLY 8 HN GLY 8 45.133 13.848 3.561
78 HA2 GLY 8 HA1 GLY 8 45.365 13.479 0.732
79 HA3 GLY 8 HA2 GLY 8 44.597 12.046 1.442
80 H VAL 9 HN VAL 9 42.755 12.591 0.153
81 HA VAL 9 HA VAL 9 40.797 13.771 -0.345
82 HB VAL 9 HB VAL 9 39.260 13.893 1.642
83 HG11 VAL 9 HG11 VAL 9 39.396 11.413 2.124
84 HG12 VAL 9 HG12 VAL 9 40.931 11.380 1.222
85 HG13 VAL 9 HG13 VAL 9 39.420 11.822 0.393
86 HG21 VAL 9 HG21 VAL 9 41.644 12.776 3.182
87 HG22 VAL 9 HG22 VAL 9 40.030 13.167 3.818
88 HG23 VAL 9 HG23 VAL 9 41.113 14.473 3.289
89 H LYS 10 HN LYS 10 42.721 15.647 -0.511
90 HA LYS 10 HA LYS 10 41.920 17.959 1.199
91 HB2 LYS 10 HB2 LYS 10 43.994 17.802 -1.025
92 HB3 LYS 10 HB1 LYS 10 43.801 19.101 0.175
93 HG2 LYS 10 HG2 LYS 10 44.361 17.564 1.994
94 HG3 LYS 10 HG1 LYS 10 44.435 16.199 0.853
95 HD2 LYS 10 HD2 LYS 10 46.306 17.248 -0.336
96 HD3 LYS 10 HD1 LYS 10 46.211 18.672 0.728
97 HE2 LYS 10 HE2 LYS 10 47.981 17.263 1.581
98 HE3 LYS 10 HE1 LYS 10 46.601 17.110 2.694
99 HZ1 LYS 10 HZ1 LYS 10 46.080 15.179 0.907
100 HZ2 LYS 10 HZ2 LYS 10 46.917 14.929 2.364
101 HZ3 LYS 10 HZ3 LYS 10 47.776 15.144 0.914
102 H ILE 11 HN ILE 11 41.225 16.523 -1.845
103 HA ILE 11 HA ILE 11 39.799 19.037 -2.722
104 HB ILE 11 HB ILE 11 41.040 16.997 -4.611
105 HG12 ILE 11 HG12 ILE 11 42.185 19.630 -3.570
106 HG13 ILE 11 HG11 ILE 11 42.859 18.004 -3.309
107 HG21 ILE 11 HG21 ILE 11 40.610 18.648 -6.301
108 HG22 ILE 11 HG22 ILE 11 40.269 19.907 -5.091
109 HG23 ILE 11 HG23 ILE 11 39.126 18.566 -5.328
110 HD11 ILE 11 HD1 ILE 11 44.147 18.877 -5.102
111 HD12 ILE 11 HD2 ILE 11 42.728 19.609 -5.884
112 HD13 ILE 11 HD3 ILE 11 42.947 17.843 -5.910
113 H ILE 12 HN ILE 12 40.043 15.475 -3.024
114 HA ILE 12 HA ILE 12 37.357 15.233 -4.131
115 HB ILE 12 HB ILE 12 39.166 13.186 -2.810
116 HG12 ILE 12 HG12 ILE 12 38.788 13.798 -5.782
117 HG13 ILE 12 HG11 ILE 12 40.142 14.406 -4.805
118 HG21 ILE 12 HG21 ILE 12 36.700 12.925 -4.594
119 HG22 ILE 12 HG22 ILE 12 36.898 12.320 -2.934
120 HG23 ILE 12 HG23 ILE 12 37.803 11.571 -4.261
121 HD11 ILE 12 HD1 ILE 12 40.434 11.795 -4.208
122 HD12 ILE 12 HD2 ILE 12 41.123 12.481 -5.696
123 HD13 ILE 12 HD3 ILE 12 39.588 11.592 -5.762
124 H GLY 13 HN GLY 13 38.294 13.221 -1.376
125 HA2 GLY 13 HA1 GLY 13 35.785 13.549 -0.047
126 HA3 GLY 13 HA2 GLY 13 37.286 12.943 0.692
127 H GLY 14 HN GLY 14 38.258 15.572 -0.707
128 HA2 GLY 14 HA1 GLY 14 38.228 17.205 1.750
129 HA3 GLY 14 HA2 GLY 14 39.086 17.557 0.233
130 H ALA 15 HN ALA 15 37.029 17.397 -1.653
131 HA ALA 15 HA ALA 15 35.538 19.897 -0.945
132 HB1 ALA 15 HB1 ALA 15 34.814 19.870 -3.276
133 HB2 ALA 15 HB2 ALA 15 35.521 18.255 -3.510
134 HB3 ALA 15 HB3 ALA 15 36.577 19.657 -3.199
135 H ALA 16 HN ALA 16 35.129 17.372 0.441
136 HA ALA 16 HA ALA 16 33.314 16.281 1.351
137 HB1 ALA 16 HB1 ALA 16 32.120 18.535 0.717
138 HB2 ALA 16 HB2 ALA 16 31.135 17.099 1.087
139 HB3 ALA 16 HB3 ALA 16 31.403 17.583 -0.604
140 H LEU 17 HN LEU 17 34.969 15.236 -0.756
141 HA LEU 17 HA LEU 17 34.944 13.447 -2.245
142 HB2 LEU 17 HB2 LEU 17 33.418 12.670 -0.148
143 HB3 LEU 17 HB1 LEU 17 32.174 12.589 -1.410
144 HG LEU 17 HG LEU 17 34.898 11.202 -1.546
145 HD11 LEU 17 HD11 LEU 17 32.126 10.029 -1.057
146 HD12 LEU 17 HD12 LEU 17 33.342 10.305 0.214
147 HD13 LEU 17 HD13 LEU 17 33.670 9.144 -1.095
148 HD21 LEU 17 HD21 LEU 17 33.794 9.975 -3.446
149 HD22 LEU 17 HD22 LEU 17 34.005 11.710 -3.770
150 HD23 LEU 17 HD23 LEU 17 32.406 11.079 -3.308
151 H ASP 18 HN ASP 18 34.271 15.834 -3.375
152 HA ASP 18 HA ASP 18 33.218 16.764 -5.221
153 HB2 ASP 18 HB2 ASP 18 32.860 13.822 -5.920
154 HB3 ASP 18 HB1 ASP 18 32.614 15.177 -7.047
155 H HIS 19 HN HIS 19 31.167 13.862 -5.235
156 HA HIS 19 HA HIS 19 28.925 15.261 -3.941
157 HB2 HIS 19 HB2 HIS 19 28.875 14.639 -6.922
158 HB3 HIS 19 HB1 HIS 19 27.437 15.036 -5.950
159 HD1 HIS 19 HD1 HIS 19 27.773 17.414 -4.481
160 HD2 HIS 19 HD2 HIS 19 29.951 16.913 -8.041
161 HE1 HIS 19 HE1 HIS 19 28.568 19.726 -5.219
162 H LEU 20 HN LEU 20 30.130 13.048 -3.032
163 HA LEU 20 HA LEU 20 29.778 10.820 -2.488
164 HB2 LEU 20 HB2 LEU 20 26.981 11.753 -3.203
165 HB3 LEU 20 HB1 LEU 20 27.281 10.100 -2.640
166 HG LEU 20 HG LEU 20 26.596 11.811 -0.855
167 HD11 LEU 20 HD11 LEU 20 27.914 10.801 0.829
168 HD12 LEU 20 HD12 LEU 20 29.324 10.615 -0.233
169 HD13 LEU 20 HD13 LEU 20 27.892 9.588 -0.468
170 HD21 LEU 20 HD21 LEU 20 29.479 12.765 -1.141
171 HD22 LEU 20 HD22 LEU 20 28.223 13.397 -0.053
172 HD23 LEU 20 HD23 LEU 20 28.081 13.639 -1.810
Start of MODEL 41
1 H1 TRP 1 HT1 TRP 1 51.553 13.062 0.916
2 H2 TRP 1 HT2 TRP 1 53.144 12.492 1.089
3 H3 TRP 1 HT3 TRP 1 52.545 13.683 2.142
4 HA TRP 1 HA TRP 1 51.264 11.055 1.939
5 HB2 TRP 1 HB2 TRP 1 53.541 11.798 3.816
6 HB3 TRP 1 HB1 TRP 1 52.666 10.250 3.758
7 HD1 TRP 1 HD1 TRP 1 52.646 9.353 0.928
8 HE1 TRP 1 HE1 TRP 1 54.777 8.932 -0.501
9 HE3 TRP 1 HE3 TRP 1 55.962 12.235 3.556
10 HZ2 TRP 1 HZ2 TRP 1 57.538 9.753 -0.477
11 HZ3 TRP 1 HZ3 TRP 1 58.338 12.401 2.835
12 HH2 TRP 1 HH2 TRP 1 59.129 11.164 0.823
13 H LEU 2 HN LEU 2 49.447 11.092 3.083
14 HA LEU 2 HA LEU 2 48.772 13.424 4.691
15 HB2 LEU 2 HB2 LEU 2 47.422 10.773 4.105
16 HB3 LEU 2 HB1 LEU 2 46.727 11.922 5.264
17 HG LEU 2 HG LEU 2 45.846 12.067 2.867
18 HD11 LEU 2 HD11 LEU 2 45.842 13.973 4.654
19 HD12 LEU 2 HD12 LEU 2 45.540 14.406 2.960
20 HD13 LEU 2 HD13 LEU 2 47.136 14.700 3.677
21 HD21 LEU 2 HD21 LEU 2 48.150 11.742 1.839
22 HD22 LEU 2 HD22 LEU 2 48.518 13.420 2.301
23 HD23 LEU 2 HD23 LEU 2 47.201 13.082 1.156
24 H ARG 3 HN ARG 3 48.218 10.118 5.771
25 HA ARG 3 HA ARG 3 50.133 10.325 7.995
26 HB2 ARG 3 HB2 ARG 3 48.117 11.664 8.761
27 HB3 ARG 3 HB1 ARG 3 47.158 10.170 8.627
28 HG2 ARG 3 HG2 ARG 3 48.586 9.046 10.258
29 HG3 ARG 3 HG1 ARG 3 49.679 10.450 10.320
30 HD2 ARG 3 HD2 ARG 3 48.066 10.387 12.240
31 HD3 ARG 3 HD1 ARG 3 47.899 11.852 11.243
32 HE ARG 3 HE ARG 3 46.087 9.986 10.173
33 HH11 ARG 3 HH11 ARG 3 46.513 12.195 12.731
34 HH12 ARG 3 HH12 ARG 3 44.953 11.920 13.431
35 HH21 ARG 3 HH21 ARG 3 44.142 9.338 11.262
36 HH22 ARG 3 HH22 ARG 3 43.611 10.302 12.600
37 H ARG 4 HN ARG 4 47.925 8.781 5.913
38 HA ARG 4 HA ARG 4 48.983 6.119 6.680
39 HB2 ARG 4 HB2 ARG 4 45.996 6.738 6.626
40 HB3 ARG 4 HB1 ARG 4 46.722 5.121 6.786
41 HG2 ARG 4 HG2 ARG 4 47.953 6.022 8.850
42 HG3 ARG 4 HG1 ARG 4 46.891 7.445 8.745
43 HD2 ARG 4 HD2 ARG 4 44.910 5.850 8.773
44 HD3 ARG 4 HD1 ARG 4 46.061 4.543 9.147
45 HE ARG 4 HE ARG 4 46.577 6.540 11.043
46 HH11 ARG 4 HH11 ARG 4 45.825 4.053 12.186
47 HH12 ARG 4 HH12 ARG 4 44.213 4.292 12.771
48 HH21 ARG 4 HH21 ARG 4 43.651 7.123 10.850
49 HH22 ARG 4 HH22 ARG 4 42.981 6.029 12.013
50 H ILE 5 HN ILE 5 48.273 8.452 4.473
51 HA ILE 5 HA ILE 5 48.012 8.459 2.169
52 HB ILE 5 HB ILE 5 49.132 5.626 2.212
53 HG12 ILE 5 HG12 ILE 5 50.604 8.292 2.456
54 HG13 ILE 5 HG11 ILE 5 50.489 7.040 3.716
55 HG21 ILE 5 HG21 ILE 5 49.639 7.908 0.259
56 HG22 ILE 5 HG22 ILE 5 48.300 6.755 0.050
57 HG23 ILE 5 HG23 ILE 5 49.980 6.175 0.039
58 HD11 ILE 5 HD1 ILE 5 51.968 6.929 1.067
59 HD12 ILE 5 HD2 ILE 5 51.534 5.442 1.944
60 HD13 ILE 5 HD3 ILE 5 52.599 6.647 2.705
61 H GLY 6 HN GLY 6 45.642 8.340 2.765
62 HA2 GLY 6 HA1 GLY 6 44.230 6.804 0.928
63 HA3 GLY 6 HA2 GLY 6 44.281 5.800 2.392
64 H LYS 7 HN LYS 7 43.950 7.399 4.462
65 HA LYS 7 HA LYS 7 41.167 8.079 4.344
66 HB2 LYS 7 HB2 LYS 7 42.440 7.430 6.411
67 HB3 LYS 7 HB1 LYS 7 43.232 9.023 6.370
68 HG2 LYS 7 HG2 LYS 7 41.113 10.165 6.635
69 HG3 LYS 7 HG1 LYS 7 40.209 8.646 6.431
70 HD2 LYS 7 HD2 LYS 7 41.222 7.748 8.497
71 HD3 LYS 7 HD1 LYS 7 42.157 9.250 8.699
72 HE2 LYS 7 HE2 LYS 7 40.131 9.303 10.108
73 HE3 LYS 7 HE1 LYS 7 40.033 10.540 8.832
74 HZ1 LYS 7 HZ1 LYS 7 37.965 9.328 8.997
75 HZ2 LYS 7 HZ2 LYS 7 38.765 7.846 8.769
76 HZ3 LYS 7 HZ3 LYS 7 38.706 8.986 7.511
77 H GLY 8 HN GLY 8 40.097 9.918 3.910
78 HA2 GLY 8 HA1 GLY 8 39.754 12.068 3.134
79 HA3 GLY 8 HA2 GLY 8 41.100 12.541 4.190
80 H VAL 9 HN VAL 9 40.792 13.995 1.978
81 HA VAL 9 HA VAL 9 43.209 13.251 0.403
82 HB VAL 9 HB VAL 9 40.566 13.940 -0.960
83 HG11 VAL 9 HG11 VAL 9 41.912 13.275 -3.008
84 HG12 VAL 9 HG12 VAL 9 43.354 13.232 -1.969
85 HG13 VAL 9 HG13 VAL 9 42.476 14.760 -2.211
86 HG21 VAL 9 HG21 VAL 9 40.406 11.675 -0.111
87 HG22 VAL 9 HG22 VAL 9 42.067 11.305 -0.637
88 HG23 VAL 9 HG23 VAL 9 40.786 11.561 -1.845
89 H LYS 10 HN LYS 10 40.875 15.490 1.646
90 HA LYS 10 HA LYS 10 41.037 17.762 2.034
91 HB2 LYS 10 HB2 LYS 10 43.562 17.158 2.294
92 HB3 LYS 10 HB1 LYS 10 43.748 17.860 0.671
93 HG2 LYS 10 HG2 LYS 10 42.463 19.917 1.628
94 HG3 LYS 10 HG1 LYS 10 42.817 19.219 3.226
95 HD2 LYS 10 HD2 LYS 10 45.229 19.240 2.721
96 HD3 LYS 10 HD1 LYS 10 44.895 19.884 1.095
97 HE2 LYS 10 HE2 LYS 10 44.043 21.286 3.662
98 HE3 LYS 10 HE1 LYS 10 45.566 21.637 2.810
99 HZ1 LYS 10 HZ1 LYS 10 43.162 22.792 2.292
100 HZ2 LYS 10 HZ2 LYS 10 43.263 21.605 1.080
101 HZ3 LYS 10 HZ3 LYS 10 44.489 22.770 1.236
102 H ILE 11 HN ILE 11 41.527 16.365 -1.084
103 HA ILE 11 HA ILE 11 40.671 18.937 -2.418
104 HB ILE 11 HB ILE 11 42.012 16.563 -3.757
105 HG12 ILE 11 HG12 ILE 11 43.287 19.052 -2.527
106 HG13 ILE 11 HG11 ILE 11 43.530 17.369 -2.002
107 HG21 ILE 11 HG21 ILE 11 40.717 18.365 -5.073
108 HG22 ILE 11 HG22 ILE 11 42.405 18.092 -5.561
109 HG23 ILE 11 HG23 ILE 11 41.985 19.503 -4.559
110 HD11 ILE 11 HD1 ILE 11 44.459 18.703 -4.567
111 HD12 ILE 11 HD2 ILE 11 44.335 16.931 -4.439
112 HD13 ILE 11 HD3 ILE 11 45.424 17.829 -3.357
113 H ILE 12 HN ILE 12 40.371 15.358 -2.519
114 HA ILE 12 HA ILE 12 37.913 15.626 -4.192
115 HB ILE 12 HB ILE 12 39.411 13.158 -3.233
116 HG12 ILE 12 HG12 ILE 12 39.539 14.591 -5.932
117 HG13 ILE 12 HG11 ILE 12 40.787 14.690 -4.671
118 HG21 ILE 12 HG21 ILE 12 37.072 12.690 -3.894
119 HG22 ILE 12 HG22 ILE 12 38.175 12.046 -5.121
120 HG23 ILE 12 HG23 ILE 12 37.308 13.570 -5.418
121 HD11 ILE 12 HD1 ILE 12 40.718 12.017 -4.843
122 HD12 ILE 12 HD2 ILE 12 41.665 12.978 -6.004
123 HD13 ILE 12 HD3 ILE 12 40.062 12.363 -6.462
124 H GLY 13 HN GLY 13 38.276 12.888 -2.019
125 HA2 GLY 13 HA1 GLY 13 35.689 13.189 -0.882
126 HA3 GLY 13 HA2 GLY 13 37.021 12.240 -0.179
127 H GLY 14 HN GLY 14 38.418 14.982 -0.660
128 HA2 GLY 14 HA1 GLY 14 38.111 15.944 2.114
129 HA3 GLY 14 HA2 GLY 14 39.273 16.510 0.895
130 H ALA 15 HN ALA 15 37.711 17.166 -1.275
131 HA ALA 15 HA ALA 15 36.392 19.617 -0.210
132 HB1 ALA 15 HB1 ALA 15 36.109 20.232 -2.531
133 HB2 ALA 15 HB2 ALA 15 36.517 18.585 -3.066
134 HB3 ALA 15 HB3 ALA 15 37.763 19.614 -2.316
135 H ALA 16 HN ALA 16 35.417 16.892 0.422
136 HA ALA 16 HA ALA 16 33.325 16.016 0.846
137 HB1 ALA 16 HB1 ALA 16 32.590 18.531 0.528
138 HB2 ALA 16 HB2 ALA 16 31.367 17.238 0.488
139 HB3 ALA 16 HB3 ALA 16 31.957 17.952 -1.031
140 H LEU 17 HN LEU 17 35.160 15.145 -1.204
141 HA LEU 17 HA LEU 17 35.166 13.808 -3.106
142 HB2 LEU 17 HB2 LEU 17 33.399 12.733 -1.311
143 HB3 LEU 17 HB1 LEU 17 32.323 12.919 -2.709
144 HG LEU 17 HG LEU 17 35.021 11.481 -2.742
145 HD11 LEU 17 HD11 LEU 17 32.189 10.358 -2.882
146 HD12 LEU 17 HD12 LEU 17 33.215 10.328 -1.428
147 HD13 LEU 17 HD13 LEU 17 33.706 9.427 -2.883
148 HD21 LEU 17 HD21 LEU 17 34.214 10.695 -4.983
149 HD22 LEU 17 HD22 LEU 17 34.458 12.457 -4.924
150 HD23 LEU 17 HD23 LEU 17 32.813 11.781 -4.829
151 H ASP 18 HN ASP 18 34.296 16.565 -3.429
152 HA ASP 18 HA ASP 18 33.306 17.930 -5.025
153 HB2 ASP 18 HB2 ASP 18 33.691 15.426 -6.711
154 HB3 ASP 18 HB1 ASP 18 33.361 17.056 -7.349
155 H HIS 19 HN HIS 19 31.633 15.639 -3.553
156 HA HIS 19 HA HIS 19 29.091 16.585 -4.571
157 HB2 HIS 19 HB2 HIS 19 29.601 15.014 -6.393
158 HB3 HIS 19 HB1 HIS 19 29.874 13.712 -5.210
159 HD1 HIS 19 HD1 HIS 19 27.868 12.391 -6.364
160 HD2 HIS 19 HD2 HIS 19 26.792 16.029 -4.547
161 HE1 HIS 19 HE1 HIS 19 25.326 12.389 -6.097
162 H LEU 20 HN LEU 20 30.858 14.008 -2.843
163 HA LEU 20 HA LEU 20 29.324 14.528 -0.419
164 HB2 LEU 20 HB2 LEU 20 28.353 12.237 -0.229
165 HB3 LEU 20 HB1 LEU 20 27.637 13.201 -1.536
166 HG LEU 20 HG LEU 20 29.656 11.962 -2.949
167 HD11 LEU 20 HD11 LEU 20 29.663 9.549 -2.267
168 HD12 LEU 20 HD12 LEU 20 28.814 9.994 -0.770
169 HD13 LEU 20 HD13 LEU 20 30.458 10.598 -1.075
170 HD21 LEU 20 HD21 LEU 20 26.906 10.798 -2.317
171 HD22 LEU 20 HD22 LEU 20 27.929 10.320 -3.693
172 HD23 LEU 20 HD23 LEU 20 27.285 11.976 -3.596
Start of MODEL 42
1 H1 TRP 1 HT1 TRP 1 27.745 17.558 13.020
2 H2 TRP 1 HT2 TRP 1 27.722 16.270 14.127
3 H3 TRP 1 HT3 TRP 1 26.769 16.205 12.723
4 HA TRP 1 HA TRP 1 29.385 15.336 13.115
5 HB2 TRP 1 HB2 TRP 1 27.554 15.446 10.686
6 HB3 TRP 1 HB1 TRP 1 29.051 14.487 10.793
7 HD1 TRP 1 HD1 TRP 1 25.432 14.509 11.824
8 HE1 TRP 1 HE1 TRP 1 24.841 12.333 13.117
9 HE3 TRP 1 HE3 TRP 1 30.158 12.660 12.495
10 HZ2 TRP 1 HZ2 TRP 1 26.255 10.107 14.275
11 HZ3 TRP 1 HZ3 TRP 1 30.514 10.509 13.697
12 HH2 TRP 1 HH2 TRP 1 28.569 9.231 14.587
13 H LEU 2 HN LEU 2 31.212 15.647 11.705
14 HA LEU 2 HA LEU 2 31.750 18.473 11.269
15 HB2 LEU 2 HB2 LEU 2 33.422 16.172 10.207
16 HB3 LEU 2 HB1 LEU 2 33.954 17.791 10.721
17 HG LEU 2 HG LEU 2 32.848 15.586 12.518
18 HD11 LEU 2 HD11 LEU 2 35.212 15.330 11.688
19 HD12 LEU 2 HD12 LEU 2 35.100 15.542 13.453
20 HD13 LEU 2 HD13 LEU 2 35.596 16.906 12.421
21 HD21 LEU 2 HD21 LEU 2 32.089 17.658 13.453
22 HD22 LEU 2 HD22 LEU 2 33.610 18.490 13.047
23 HD23 LEU 2 HD23 LEU 2 33.579 17.268 14.342
24 H ARG 3 HN ARG 3 30.220 16.045 9.456
25 HA ARG 3 HA ARG 3 29.337 16.052 7.328
26 HB2 ARG 3 HB2 ARG 3 30.439 18.846 6.882
27 HB3 ARG 3 HB1 ARG 3 29.041 18.066 6.109
28 HG2 ARG 3 HG2 ARG 3 28.041 17.904 8.510
29 HG3 ARG 3 HG1 ARG 3 29.292 19.084 8.965
30 HD2 ARG 3 HD2 ARG 3 28.453 20.545 7.048
31 HD3 ARG 3 HD1 ARG 3 27.073 19.428 6.911
32 HE ARG 3 HE ARG 3 27.271 21.505 8.839
33 HH11 ARG 3 HH11 ARG 3 27.717 19.867 11.023
34 HH12 ARG 3 HH12 ARG 3 26.219 19.068 11.360
35 HH21 ARG 3 HH21 ARG 3 24.861 19.721 8.237
36 HH22 ARG 3 HH22 ARG 3 24.602 18.983 9.783
37 H ARG 4 HN ARG 4 32.674 17.135 7.754
38 HA ARG 4 HA ARG 4 33.412 16.404 4.989
39 HB2 ARG 4 HB2 ARG 4 35.096 17.176 7.408
40 HB3 ARG 4 HB1 ARG 4 35.708 16.956 5.750
41 HG2 ARG 4 HG2 ARG 4 34.309 18.776 4.933
42 HG3 ARG 4 HG1 ARG 4 33.521 18.935 6.521
43 HD2 ARG 4 HD2 ARG 4 35.593 19.654 7.555
44 HD3 ARG 4 HD1 ARG 4 36.514 19.294 6.074
45 HE ARG 4 HE ARG 4 35.851 21.405 5.273
46 HH11 ARG 4 HH11 ARG 4 34.436 23.166 5.093
47 HH12 ARG 4 HH12 ARG 4 33.131 23.325 6.222
48 HH21 ARG 4 HH21 ARG 4 33.828 20.342 7.848
49 HH22 ARG 4 HH22 ARG 4 32.786 21.725 7.781
50 H ILE 5 HN ILE 5 33.284 14.981 8.179
51 HA ILE 5 HA ILE 5 33.779 12.847 8.920
52 HB ILE 5 HB ILE 5 33.960 12.003 5.999
53 HG12 ILE 5 HG12 ILE 5 31.492 12.411 7.751
54 HG13 ILE 5 HG11 ILE 5 31.921 13.356 6.305
55 HG21 ILE 5 HG21 ILE 5 33.310 9.847 6.820
56 HG22 ILE 5 HG22 ILE 5 32.855 10.505 8.410
57 HG23 ILE 5 HG23 ILE 5 34.568 10.418 7.938
58 HD11 ILE 5 HD1 ILE 5 31.052 10.451 6.478
59 HD12 ILE 5 HD2 ILE 5 31.927 11.070 5.055
60 HD13 ILE 5 HD3 ILE 5 30.352 11.765 5.505
61 H GLY 6 HN GLY 6 35.803 13.579 9.739
62 HA2 GLY 6 HA1 GLY 6 38.110 13.545 9.926
63 HA3 GLY 6 HA2 GLY 6 38.000 11.986 9.086
64 H LYS 7 HN LYS 7 37.314 15.324 7.974
65 HA LYS 7 HA LYS 7 38.052 16.403 6.051
66 HB2 LYS 7 HB2 LYS 7 40.689 15.157 6.936
67 HB3 LYS 7 HB1 LYS 7 40.508 16.533 5.820
68 HG2 LYS 7 HG2 LYS 7 39.607 17.943 7.528
69 HG3 LYS 7 HG1 LYS 7 39.331 16.570 8.626
70 HD2 LYS 7 HD2 LYS 7 41.339 17.917 9.267
71 HD3 LYS 7 HD1 LYS 7 41.748 16.231 8.874
72 HE2 LYS 7 HE2 LYS 7 42.659 16.825 6.757
73 HE3 LYS 7 HE1 LYS 7 41.888 18.432 6.779
74 HZ1 LYS 7 HZ1 LYS 7 43.295 18.799 8.868
75 HZ2 LYS 7 HZ2 LYS 7 44.084 18.842 7.363
76 HZ3 LYS 7 HZ3 LYS 7 44.204 17.463 8.349
77 H GLY 8 HN GLY 8 40.691 15.024 4.821
78 HA2 GLY 8 HA1 GLY 8 40.101 12.593 3.655
79 HA3 GLY 8 HA2 GLY 8 39.200 13.751 2.658
80 H VAL 9 HN VAL 9 40.539 13.084 0.881
81 HA VAL 9 HA VAL 9 43.414 13.604 1.005
82 HB VAL 9 HB VAL 9 43.432 13.045 -1.367
83 HG11 VAL 9 HG11 VAL 9 42.553 10.801 -1.237
84 HG12 VAL 9 HG12 VAL 9 41.369 11.274 0.005
85 HG13 VAL 9 HG13 VAL 9 43.105 11.238 0.397
86 HG21 VAL 9 HG21 VAL 9 41.167 12.509 -2.465
87 HG22 VAL 9 HG22 VAL 9 41.529 14.232 -2.212
88 HG23 VAL 9 HG23 VAL 9 40.416 13.387 -1.109
89 H LYS 10 HN LYS 10 41.195 15.754 1.430
90 HA LYS 10 HA LYS 10 41.193 18.052 1.185
91 HB2 LYS 10 HB2 LYS 10 43.768 17.642 1.028
92 HB3 LYS 10 HB1 LYS 10 43.554 17.921 -0.715
93 HG2 LYS 10 HG2 LYS 10 42.329 20.089 -0.071
94 HG3 LYS 10 HG1 LYS 10 42.955 19.834 1.576
95 HD2 LYS 10 HD2 LYS 10 45.279 19.660 0.558
96 HD3 LYS 10 HD1 LYS 10 44.565 20.190 -0.984
97 HE2 LYS 10 HE2 LYS 10 43.811 22.283 0.029
98 HE3 LYS 10 HE1 LYS 10 44.364 21.745 1.633
99 HZ1 LYS 10 HZ1 LYS 10 45.839 23.207 -0.059
100 HZ2 LYS 10 HZ2 LYS 10 46.367 21.644 -0.463
101 HZ3 LYS 10 HZ3 LYS 10 46.490 22.198 1.138
102 H ILE 11 HN ILE 11 41.265 15.937 -1.574
103 HA ILE 11 HA ILE 11 39.973 18.068 -3.282
104 HB ILE 11 HB ILE 11 41.121 15.416 -4.216
105 HG12 ILE 11 HG12 ILE 11 42.490 18.130 -3.916
106 HG13 ILE 11 HG11 ILE 11 42.923 16.622 -3.077
107 HG21 ILE 11 HG21 ILE 11 39.511 16.823 -5.662
108 HG22 ILE 11 HG22 ILE 11 41.084 16.436 -6.392
109 HG23 ILE 11 HG23 ILE 11 40.794 18.054 -5.712
110 HD11 ILE 11 HD1 ILE 11 43.246 15.620 -5.460
111 HD12 ILE 11 HD2 ILE 11 44.480 16.754 -4.863
112 HD13 ILE 11 HD3 ILE 11 43.247 17.312 -6.017
113 H ILE 12 HN ILE 12 39.772 14.590 -2.407
114 HA ILE 12 HA ILE 12 37.038 14.481 -3.606
115 HB ILE 12 HB ILE 12 38.740 12.285 -2.362
116 HG12 ILE 12 HG12 ILE 12 38.357 13.014 -5.306
117 HG13 ILE 12 HG11 ILE 12 39.807 13.389 -4.352
118 HG21 ILE 12 HG21 ILE 12 37.213 10.778 -3.656
119 HG22 ILE 12 HG22 ILE 12 36.285 12.200 -4.186
120 HG23 ILE 12 HG23 ILE 12 36.326 11.748 -2.469
121 HD11 ILE 12 HD1 ILE 12 40.464 11.382 -5.363
122 HD12 ILE 12 HD2 ILE 12 38.820 10.710 -5.350
123 HD13 ILE 12 HD3 ILE 12 39.772 10.762 -3.846
124 H GLY 13 HN GLY 13 37.846 12.357 -0.930
125 HA2 GLY 13 HA1 GLY 13 35.514 13.035 0.564
126 HA3 GLY 13 HA2 GLY 13 36.960 12.226 1.210
127 H GLY 14 HN GLY 14 38.199 14.736 -0.213
128 HA2 GLY 14 HA1 GLY 14 38.433 16.339 2.264
129 HA3 GLY 14 HA2 GLY 14 39.352 16.536 0.758
130 H ALA 15 HN ALA 15 37.361 16.703 -1.179
131 HA ALA 15 HA ALA 15 36.260 19.402 -0.496
132 HB1 ALA 15 HB1 ALA 15 35.876 17.818 -3.060
133 HB2 ALA 15 HB2 ALA 15 37.312 18.828 -2.745
134 HB3 ALA 15 HB3 ALA 15 35.697 19.569 -2.810
135 H ALA 16 HN ALA 16 35.430 16.947 0.874
136 HA ALA 16 HA ALA 16 33.448 16.192 1.778
137 HB1 ALA 16 HB1 ALA 16 31.442 17.363 1.494
138 HB2 ALA 16 HB2 ALA 16 31.794 17.777 -0.199
139 HB3 ALA 16 HB3 ALA 16 32.653 18.609 1.118
140 H LEU 17 HN LEU 17 34.893 14.775 -0.205
141 HA LEU 17 HA LEU 17 34.522 12.894 -1.527
142 HB2 LEU 17 HB2 LEU 17 32.454 12.808 0.231
143 HB3 LEU 17 HB1 LEU 17 31.523 13.009 -1.260
144 HG LEU 17 HG LEU 17 31.743 10.639 -0.755
145 HD11 LEU 17 HD11 LEU 17 31.780 11.246 -3.125
146 HD12 LEU 17 HD12 LEU 17 32.821 9.833 -2.840
147 HD13 LEU 17 HD13 LEU 17 33.549 11.436 -3.080
148 HD21 LEU 17 HD21 LEU 17 34.098 11.131 0.470
149 HD22 LEU 17 HD22 LEU 17 34.750 10.631 -1.107
150 HD23 LEU 17 HD23 LEU 17 33.712 9.526 -0.187
151 H ASP 18 HN ASP 18 34.656 15.515 -2.630
152 HA ASP 18 HA ASP 18 34.288 16.622 -4.628
153 HB2 ASP 18 HB2 ASP 18 35.157 14.523 -5.572
154 HB3 ASP 18 HB1 ASP 18 33.517 13.834 -5.578
155 H HIS 19 HN HIS 19 31.767 14.172 -5.213
156 HA HIS 19 HA HIS 19 29.610 16.018 -4.438
157 HB2 HIS 19 HB2 HIS 19 30.131 15.355 -7.364
158 HB3 HIS 19 HB1 HIS 19 28.613 16.046 -6.743
159 HD1 HIS 19 HD1 HIS 19 29.014 18.360 -5.224
160 HD2 HIS 19 HD2 HIS 19 31.985 17.296 -8.006
161 HE1 HIS 19 HE1 HIS 19 30.408 20.450 -5.686
162 H LEU 20 HN LEU 20 29.955 13.717 -3.248
163 HA LEU 20 HA LEU 20 28.998 11.647 -2.817
164 HB2 LEU 20 HB2 LEU 20 26.741 12.456 -4.682
165 HB3 LEU 20 HB1 LEU 20 26.668 11.440 -3.222
166 HG LEU 20 HG LEU 20 27.261 14.431 -3.320
167 HD11 LEU 20 HD11 LEU 20 24.874 13.728 -3.670
168 HD12 LEU 20 HD12 LEU 20 25.117 14.650 -2.168
169 HD13 LEU 20 HD13 LEU 20 24.932 12.881 -2.106
170 HD21 LEU 20 HD21 LEU 20 27.292 12.393 -1.055
171 HD22 LEU 20 HD22 LEU 20 27.057 14.133 -0.756
172 HD23 LEU 20 HD23 LEU 20 28.560 13.556 -1.510
Start of MODEL 43
1 H1 TRP 1 HT1 TRP 1 45.373 -2.544 1.891
2 H2 TRP 1 HT2 TRP 1 45.013 -3.578 0.591
3 H3 TRP 1 HT3 TRP 1 43.784 -2.655 1.314
4 HA TRP 1 HA TRP 1 46.125 -1.506 -0.055
5 HB2 TRP 1 HB2 TRP 1 44.405 -0.986 -1.866
6 HB3 TRP 1 HB1 TRP 1 44.897 -2.692 -1.737
7 HD1 TRP 1 HD1 TRP 1 41.927 -0.402 -1.406
8 HE1 TRP 1 HE1 TRP 1 39.785 -1.768 -0.848
9 HE3 TRP 1 HE3 TRP 1 44.096 -4.929 -0.398
10 HZ2 TRP 1 HZ2 TRP 1 39.137 -4.463 -0.071
11 HZ3 TRP 1 HZ3 TRP 1 42.696 -6.884 0.249
12 HH2 TRP 1 HH2 TRP 1 40.220 -6.655 0.414
13 H LEU 2 HN LEU 2 45.535 -0.589 2.403
14 HA LEU 2 HA LEU 2 44.792 1.273 3.574
15 HB2 LEU 2 HB2 LEU 2 45.174 2.338 0.765
16 HB3 LEU 2 HB1 LEU 2 44.626 3.407 2.079
17 HG LEU 2 HG LEU 2 46.626 2.765 3.420
18 HD11 LEU 2 HD11 LEU 2 47.166 0.571 2.654
19 HD12 LEU 2 HD12 LEU 2 48.498 1.591 2.063
20 HD13 LEU 2 HD13 LEU 2 47.205 1.083 0.950
21 HD21 LEU 2 HD21 LEU 2 46.585 4.715 1.750
22 HD22 LEU 2 HD22 LEU 2 47.478 3.654 0.633
23 HD23 LEU 2 HD23 LEU 2 48.197 4.108 2.196
24 H ARG 3 HN ARG 3 43.167 2.449 0.716
25 HA ARG 3 HA ARG 3 40.555 1.345 1.401
26 HB2 ARG 3 HB2 ARG 3 40.906 3.159 3.158
27 HB3 ARG 3 HB1 ARG 3 40.942 4.336 1.822
28 HG2 ARG 3 HG2 ARG 3 38.687 3.574 1.102
29 HG3 ARG 3 HG1 ARG 3 38.651 2.423 2.459
30 HD2 ARG 3 HD2 ARG 3 38.893 5.455 2.698
31 HD3 ARG 3 HD1 ARG 3 37.430 4.498 3.031
32 HE ARG 3 HE ARG 3 39.637 3.516 4.606
33 HH11 ARG 3 HH11 ARG 3 40.396 5.634 5.918
34 HH12 ARG 3 HH12 ARG 3 39.090 6.246 6.879
35 HH21 ARG 3 HH21 ARG 3 36.647 4.508 5.136
36 HH22 ARG 3 HH22 ARG 3 36.968 5.608 6.435
37 H ARG 4 HN ARG 4 42.791 3.234 -0.365
38 HA ARG 4 HA ARG 4 41.433 2.798 -2.858
39 HB2 ARG 4 HB2 ARG 4 40.071 4.714 -1.760
40 HB3 ARG 4 HB1 ARG 4 41.509 5.723 -2.021
41 HG2 ARG 4 HG2 ARG 4 41.399 5.389 -4.420
42 HG3 ARG 4 HG1 ARG 4 40.132 4.152 -4.247
43 HD2 ARG 4 HD2 ARG 4 38.533 5.778 -3.467
44 HD3 ARG 4 HD1 ARG 4 39.791 7.028 -3.309
45 HE ARG 4 HE ARG 4 39.680 6.081 -6.028
46 HH11 ARG 4 HH11 ARG 4 37.282 6.522 -6.812
47 HH12 ARG 4 HH12 ARG 4 36.846 8.186 -6.603
48 HH21 ARG 4 HH21 ARG 4 39.438 8.863 -4.403
49 HH22 ARG 4 HH22 ARG 4 38.067 9.511 -5.240
50 H ILE 5 HN ILE 5 44.030 3.208 -0.975
51 HA ILE 5 HA ILE 5 46.275 3.597 -1.399
52 HB ILE 5 HB ILE 5 45.610 3.436 -4.368
53 HG12 ILE 5 HG12 ILE 5 45.973 1.191 -2.329
54 HG13 ILE 5 HG11 ILE 5 44.493 1.561 -3.244
55 HG21 ILE 5 HG21 ILE 5 47.869 2.667 -4.596
56 HG22 ILE 5 HG22 ILE 5 48.041 2.412 -2.843
57 HG23 ILE 5 HG23 ILE 5 47.956 4.065 -3.499
58 HD11 ILE 5 HD1 ILE 5 45.960 1.227 -5.371
59 HD12 ILE 5 HD2 ILE 5 45.488 -0.224 -4.453
60 HD13 ILE 5 HD3 ILE 5 47.125 0.449 -4.273
61 H GLY 6 HN GLY 6 46.072 5.754 -0.587
62 HA2 GLY 6 HA1 GLY 6 46.696 7.988 -0.801
63 HA3 GLY 6 HA2 GLY 6 46.938 7.739 -2.542
64 H LYS 7 HN LYS 7 44.266 7.790 -0.139
65 HA LYS 7 HA LYS 7 42.265 8.527 -2.058
66 HB2 LYS 7 HB2 LYS 7 40.926 9.172 -0.046
67 HB3 LYS 7 HB1 LYS 7 41.651 7.552 0.082
68 HG2 LYS 7 HG2 LYS 7 43.580 8.613 1.352
69 HG3 LYS 7 HG1 LYS 7 42.642 10.126 1.378
70 HD2 LYS 7 HD2 LYS 7 40.818 9.034 2.580
71 HD3 LYS 7 HD1 LYS 7 41.636 7.458 2.455
72 HE2 LYS 7 HE2 LYS 7 41.965 8.546 4.690
73 HE3 LYS 7 HE1 LYS 7 43.496 8.265 3.826
74 HZ1 LYS 7 HZ1 LYS 7 42.008 10.835 3.698
75 HZ2 LYS 7 HZ2 LYS 7 43.598 10.524 3.187
76 HZ3 LYS 7 HZ3 LYS 7 43.220 10.527 4.844
77 H GLY 8 HN GLY 8 44.369 10.438 0.101
78 HA2 GLY 8 HA1 GLY 8 44.675 12.735 0.244
79 HA3 GLY 8 HA2 GLY 8 44.615 12.668 -1.528
80 H VAL 9 HN VAL 9 42.434 12.673 1.325
81 HA VAL 9 HA VAL 9 40.226 13.782 -0.234
82 HB VAL 9 HB VAL 9 39.144 14.067 2.031
83 HG11 VAL 9 HG11 VAL 9 40.421 11.356 1.445
84 HG12 VAL 9 HG12 VAL 9 38.909 11.975 0.737
85 HG13 VAL 9 HG13 VAL 9 38.999 11.626 2.479
86 HG21 VAL 9 HG21 VAL 9 41.731 12.764 3.005
87 HG22 VAL 9 HG22 VAL 9 40.306 13.152 3.998
88 HG23 VAL 9 HG23 VAL 9 41.279 14.463 3.287
89 H LYS 10 HN LYS 10 42.733 15.305 -0.322
90 HA LYS 10 HA LYS 10 42.267 17.711 1.319
91 HB2 LYS 10 HB2 LYS 10 44.202 17.208 -0.980
92 HB3 LYS 10 HB1 LYS 10 44.241 18.586 0.146
93 HG2 LYS 10 HG2 LYS 10 44.783 17.183 2.012
94 HG3 LYS 10 HG1 LYS 10 44.388 15.701 1.110
95 HD2 LYS 10 HD2 LYS 10 46.287 16.033 -0.379
96 HD3 LYS 10 HD1 LYS 10 46.639 17.613 0.358
97 HE2 LYS 10 HE2 LYS 10 46.652 14.980 1.891
98 HE3 LYS 10 HE1 LYS 10 48.109 15.742 1.210
99 HZ1 LYS 10 HZ1 LYS 10 47.644 17.713 2.538
100 HZ2 LYS 10 HZ2 LYS 10 47.797 16.343 3.531
101 HZ3 LYS 10 HZ3 LYS 10 46.260 16.982 3.190
102 H ILE 11 HN ILE 11 41.087 16.421 -1.586
103 HA ILE 11 HA ILE 11 39.981 19.104 -2.373
104 HB ILE 11 HB ILE 11 41.008 17.074 -4.395
105 HG12 ILE 11 HG12 ILE 11 42.389 19.551 -3.263
106 HG13 ILE 11 HG11 ILE 11 42.929 17.865 -3.088
107 HG21 ILE 11 HG21 ILE 11 40.471 20.058 -4.711
108 HG22 ILE 11 HG22 ILE 11 39.213 18.829 -4.983
109 HG23 ILE 11 HG23 ILE 11 40.679 18.839 -5.990
110 HD11 ILE 11 HD1 ILE 11 44.250 18.707 -4.871
111 HD12 ILE 11 HD2 ILE 11 42.881 19.589 -5.588
112 HD13 ILE 11 HD3 ILE 11 42.951 17.812 -5.694
113 H ILE 12 HN ILE 12 39.916 15.560 -2.645
114 HA ILE 12 HA ILE 12 37.237 15.503 -3.807
115 HB ILE 12 HB ILE 12 38.883 13.380 -2.395
116 HG12 ILE 12 HG12 ILE 12 38.511 13.872 -5.390
117 HG13 ILE 12 HG11 ILE 12 39.915 14.436 -4.457
118 HG21 ILE 12 HG21 ILE 12 36.582 12.655 -2.444
119 HG22 ILE 12 HG22 ILE 12 37.380 11.817 -3.787
120 HG23 ILE 12 HG23 ILE 12 36.362 13.240 -4.107
121 HD11 ILE 12 HD1 ILE 12 39.165 11.623 -5.273
122 HD12 ILE 12 HD2 ILE 12 40.031 11.838 -3.733
123 HD13 ILE 12 HD3 ILE 12 40.758 12.407 -5.252
124 H GLY 13 HN GLY 13 38.070 13.592 -0.935
125 HA2 GLY 13 HA1 GLY 13 35.571 14.156 0.371
126 HA3 GLY 13 HA2 GLY 13 37.025 13.463 1.131
127 H GLY 14 HN GLY 14 38.173 15.946 -0.431
128 HA2 GLY 14 HA1 GLY 14 38.316 17.694 1.948
129 HA3 GLY 14 HA2 GLY 14 39.176 17.901 0.406
130 H ALA 15 HN ALA 15 37.085 17.801 -1.437
131 HA ALA 15 HA ALA 15 35.793 20.441 -0.849
132 HB1 ALA 15 HB1 ALA 15 36.819 20.016 -3.087
133 HB2 ALA 15 HB2 ALA 15 35.078 20.366 -3.180
134 HB3 ALA 15 HB3 ALA 15 35.656 18.691 -3.339
135 H ALA 16 HN ALA 16 35.211 18.009 0.640
136 HA ALA 16 HA ALA 16 33.326 17.068 1.582
137 HB1 ALA 16 HB1 ALA 16 32.306 19.391 0.908
138 HB2 ALA 16 HB2 ALA 16 31.214 18.045 1.309
139 HB3 ALA 16 HB3 ALA 16 31.511 18.473 -0.392
140 H LEU 17 HN LEU 17 34.870 15.791 -0.422
141 HA LEU 17 HA LEU 17 34.698 13.913 -1.787
142 HB2 LEU 17 HB2 LEU 17 32.977 13.345 0.127
143 HB3 LEU 17 HB1 LEU 17 31.753 13.661 -1.120
144 HG LEU 17 HG LEU 17 33.279 12.010 -2.589
145 HD11 LEU 17 HD11 LEU 17 34.310 10.239 -1.220
146 HD12 LEU 17 HD12 LEU 17 33.862 11.104 0.268
147 HD13 LEU 17 HD13 LEU 17 35.058 11.806 -0.842
148 HD21 LEU 17 HD21 LEU 17 31.937 10.069 -1.666
149 HD22 LEU 17 HD22 LEU 17 30.962 11.508 -2.053
150 HD23 LEU 17 HD23 LEU 17 31.381 11.145 -0.362
151 H ASP 18 HN ASP 18 33.811 16.722 -2.606
152 HA ASP 18 HA ASP 18 33.052 17.736 -4.540
153 HB2 ASP 18 HB2 ASP 18 34.621 16.029 -5.541
154 HB3 ASP 18 HB1 ASP 18 33.214 14.974 -5.801
155 H HIS 19 HN HIS 19 31.592 14.520 -5.150
156 HA HIS 19 HA HIS 19 29.114 15.461 -6.029
157 HB2 HIS 19 HB2 HIS 19 29.451 12.959 -4.339
158 HB3 HIS 19 HB1 HIS 19 28.264 13.259 -5.632
159 HD1 HIS 19 HD1 HIS 19 31.513 11.740 -5.026
160 HD2 HIS 19 HD2 HIS 19 29.662 13.668 -8.274
161 HE1 HIS 19 HE1 HIS 19 32.842 11.142 -7.125
162 H LEU 20 HN LEU 20 29.773 14.227 -2.713
163 HA LEU 20 HA LEU 20 27.282 15.319 -1.706
164 HB2 LEU 20 HB2 LEU 20 28.793 13.321 -0.847
165 HB3 LEU 20 HB1 LEU 20 29.632 14.588 0.062
166 HG LEU 20 HG LEU 20 27.965 13.698 1.529
167 HD11 LEU 20 HD11 LEU 20 28.179 16.219 1.389
168 HD12 LEU 20 HD12 LEU 20 26.643 15.629 2.064
169 HD13 LEU 20 HD13 LEU 20 26.705 16.228 0.392
170 HD21 LEU 20 HD21 LEU 20 26.572 12.749 -0.507
171 HD22 LEU 20 HD22 LEU 20 25.687 14.287 -0.402
172 HD23 LEU 20 HD23 LEU 20 25.728 13.190 0.992
Start of MODEL 44
1 H1 TRP 1 HT1 TRP 1 32.544 11.550 17.569
2 H2 TRP 1 HT2 TRP 1 31.143 11.827 16.648
3 H3 TRP 1 HT3 TRP 1 32.421 12.947 16.617
4 HA TRP 1 HA TRP 1 33.853 11.197 15.685
5 HB2 TRP 1 HB2 TRP 1 32.573 9.313 14.582
6 HB3 TRP 1 HB1 TRP 1 32.631 9.234 16.359
7 HD1 TRP 1 HD1 TRP 1 30.264 9.785 13.443
8 HE1 TRP 1 HE1 TRP 1 27.806 9.820 14.287
9 HE3 TRP 1 HE3 TRP 1 31.142 9.839 18.487
10 HZ2 TRP 1 HZ2 TRP 1 26.437 9.866 16.821
11 HZ3 TRP 1 HZ3 TRP 1 29.245 9.879 20.098
12 HH2 TRP 1 HH2 TRP 1 26.895 9.891 19.271
13 H LEU 2 HN LEU 2 34.403 11.795 13.678
14 HA LEU 2 HA LEU 2 32.707 13.697 12.278
15 HB2 LEU 2 HB2 LEU 2 35.137 12.285 11.124
16 HB3 LEU 2 HB1 LEU 2 34.509 13.905 10.740
17 HG LEU 2 HG LEU 2 35.726 13.037 13.402
18 HD11 LEU 2 HD11 LEU 2 37.345 13.308 11.520
19 HD12 LEU 2 HD12 LEU 2 37.559 14.550 12.778
20 HD13 LEU 2 HD13 LEU 2 36.732 14.958 11.255
21 HD21 LEU 2 HD21 LEU 2 35.613 15.597 13.788
22 HD22 LEU 2 HD22 LEU 2 34.080 14.704 13.901
23 HD23 LEU 2 HD23 LEU 2 34.461 15.636 12.432
24 H ARG 3 HN ARG 3 32.683 10.344 12.474
25 HA ARG 3 HA ARG 3 31.366 8.802 11.355
26 HB2 ARG 3 HB2 ARG 3 29.928 10.961 10.827
27 HB3 ARG 3 HB1 ARG 3 30.616 10.799 9.199
28 HG2 ARG 3 HG2 ARG 3 28.683 9.499 8.969
29 HG3 ARG 3 HG1 ARG 3 29.854 8.251 9.450
30 HD2 ARG 3 HD2 ARG 3 29.095 8.418 11.794
31 HD3 ARG 3 HD1 ARG 3 27.977 9.730 11.355
32 HE ARG 3 HE ARG 3 27.458 6.920 11.019
33 HH11 ARG 3 HH11 ARG 3 26.009 9.834 10.689
34 HH12 ARG 3 HH12 ARG 3 25.106 9.469 9.257
35 HH21 ARG 3 HH21 ARG 3 26.783 6.498 8.638
36 HH22 ARG 3 HH22 ARG 3 25.545 7.580 8.096
37 H ARG 4 HN ARG 4 33.117 11.041 9.172
38 HA ARG 4 HA ARG 4 33.691 8.908 7.249
39 HB2 ARG 4 HB2 ARG 4 34.725 11.750 7.584
40 HB3 ARG 4 HB1 ARG 4 35.201 10.672 6.249
41 HG2 ARG 4 HG2 ARG 4 32.939 10.530 5.437
42 HG3 ARG 4 HG1 ARG 4 32.295 11.313 6.900
43 HD2 ARG 4 HD2 ARG 4 34.257 12.684 5.018
44 HD3 ARG 4 HD1 ARG 4 32.491 12.821 4.845
45 HE ARG 4 HE ARG 4 32.921 13.505 7.489
46 HH11 ARG 4 HH11 ARG 4 33.967 14.556 4.383
47 HH12 ARG 4 HH12 ARG 4 34.420 16.138 4.921
48 HH21 ARG 4 HH21 ARG 4 33.619 15.528 8.238
49 HH22 ARG 4 HH22 ARG 4 34.222 16.689 7.104
50 H ILE 5 HN ILE 5 34.920 9.799 10.276
51 HA ILE 5 HA ILE 5 36.790 9.130 11.453
52 HB ILE 5 HB ILE 5 37.386 7.164 9.203
53 HG12 ILE 5 HG12 ILE 5 35.401 6.943 11.512
54 HG13 ILE 5 HG11 ILE 5 35.008 6.958 9.777
55 HG21 ILE 5 HG21 ILE 5 37.754 6.874 12.212
56 HG22 ILE 5 HG22 ILE 5 39.013 7.563 11.159
57 HG23 ILE 5 HG23 ILE 5 38.471 5.888 10.915
58 HD11 ILE 5 HD1 ILE 5 34.981 4.655 10.352
59 HD12 ILE 5 HD2 ILE 5 36.423 4.803 11.381
60 HD13 ILE 5 HD3 ILE 5 36.581 4.886 9.608
61 H GLY 6 HN GLY 6 38.055 8.475 8.156
62 HA2 GLY 6 HA1 GLY 6 40.477 9.963 8.747
63 HA3 GLY 6 HA2 GLY 6 40.024 9.239 7.192
64 H LYS 7 HN LYS 7 37.532 11.174 8.389
65 HA LYS 7 HA LYS 7 36.701 13.221 7.712
66 HB2 LYS 7 HB2 LYS 7 38.770 13.984 8.964
67 HB3 LYS 7 HB1 LYS 7 39.599 14.084 7.394
68 HG2 LYS 7 HG2 LYS 7 37.937 15.691 6.575
69 HG3 LYS 7 HG1 LYS 7 37.013 15.542 8.090
70 HD2 LYS 7 HD2 LYS 7 39.011 16.369 9.352
71 HD3 LYS 7 HD1 LYS 7 39.858 16.607 7.805
72 HE2 LYS 7 HE2 LYS 7 37.331 18.004 8.773
73 HE3 LYS 7 HE1 LYS 7 38.913 18.740 8.416
74 HZ1 LYS 7 HZ1 LYS 7 37.929 19.140 6.444
75 HZ2 LYS 7 HZ2 LYS 7 36.805 17.875 6.600
76 HZ3 LYS 7 HZ3 LYS 7 38.395 17.546 6.099
77 H GLY 8 HN GLY 8 39.711 13.320 5.761
78 HA2 GLY 8 HA1 GLY 8 38.604 12.373 3.338
79 HA3 GLY 8 HA2 GLY 8 38.300 14.120 3.400
80 H VAL 9 HN VAL 9 39.840 13.055 1.389
81 HA VAL 9 HA VAL 9 42.639 12.957 1.947
82 HB VAL 9 HB VAL 9 41.226 13.835 -0.614
83 HG11 VAL 9 HG11 VAL 9 44.091 13.011 0.015
84 HG12 VAL 9 HG12 VAL 9 43.534 14.533 -0.719
85 HG13 VAL 9 HG13 VAL 9 43.423 13.011 -1.634
86 HG21 VAL 9 HG21 VAL 9 41.543 11.491 -1.296
87 HG22 VAL 9 HG22 VAL 9 40.607 11.559 0.217
88 HG23 VAL 9 HG23 VAL 9 42.332 11.126 0.258
89 H LYS 10 HN LYS 10 41.347 15.560 -0.116
90 HA LYS 10 HA LYS 10 42.028 17.696 1.704
91 HB2 LYS 10 HB2 LYS 10 44.331 16.855 1.155
92 HB3 LYS 10 HB1 LYS 10 44.011 17.229 -0.555
93 HG2 LYS 10 HG2 LYS 10 43.658 19.594 -0.015
94 HG3 LYS 10 HG1 LYS 10 43.853 19.251 1.722
95 HD2 LYS 10 HD2 LYS 10 46.172 18.500 1.329
96 HD3 LYS 10 HD1 LYS 10 45.985 18.805 -0.416
97 HE2 LYS 10 HE2 LYS 10 47.131 20.701 0.680
98 HE3 LYS 10 HE1 LYS 10 45.541 21.203 0.060
99 HZ1 LYS 10 HZ1 LYS 10 45.551 20.167 2.773
100 HZ2 LYS 10 HZ2 LYS 10 44.745 21.514 2.121
101 HZ3 LYS 10 HZ3 LYS 10 46.382 21.631 2.565
102 H ILE 11 HN ILE 11 41.332 16.453 -1.494
103 HA ILE 11 HA ILE 11 39.957 19.053 -2.148
104 HB ILE 11 HB ILE 11 41.417 17.364 -4.224
105 HG12 ILE 11 HG12 ILE 11 42.386 19.865 -2.762
106 HG13 ILE 11 HG11 ILE 11 43.074 18.232 -2.603
107 HG21 ILE 11 HG21 ILE 11 40.576 20.290 -4.315
108 HG22 ILE 11 HG22 ILE 11 39.495 18.973 -4.828
109 HG23 ILE 11 HG23 ILE 11 41.037 19.234 -5.671
110 HD11 ILE 11 HD1 ILE 11 44.499 19.309 -4.168
111 HD12 ILE 11 HD2 ILE 11 43.137 20.087 -5.007
112 HD13 ILE 11 HD3 ILE 11 43.410 18.336 -5.184
113 H ILE 12 HN ILE 12 40.413 15.631 -3.131
114 HA ILE 12 HA ILE 12 37.723 15.487 -4.275
115 HB ILE 12 HB ILE 12 39.689 13.313 -3.480
116 HG12 ILE 12 HG12 ILE 12 40.748 14.802 -5.077
117 HG13 ILE 12 HG11 ILE 12 40.312 13.308 -5.928
118 HG21 ILE 12 HG21 ILE 12 37.044 13.285 -4.957
119 HG22 ILE 12 HG22 ILE 12 37.725 12.096 -3.827
120 HG23 ILE 12 HG23 ILE 12 38.310 12.159 -5.504
121 HD11 ILE 12 HD1 ILE 12 39.598 14.981 -7.428
122 HD12 ILE 12 HD2 ILE 12 39.045 16.057 -6.126
123 HD13 ILE 12 HD3 ILE 12 38.101 14.609 -6.547
124 H GLY 13 HN GLY 13 38.748 12.861 -2.169
125 HA2 GLY 13 HA1 GLY 13 36.301 12.679 -0.769
126 HA3 GLY 13 HA2 GLY 13 37.865 12.077 -0.176
127 H GLY 14 HN GLY 14 38.669 14.979 -0.813
128 HA2 GLY 14 HA1 GLY 14 38.433 15.979 1.935
129 HA3 GLY 14 HA2 GLY 14 39.277 16.757 0.578
130 H ALA 15 HN ALA 15 37.330 17.002 -1.364
131 HA ALA 15 HA ALA 15 35.578 19.059 -0.072
132 HB1 ALA 15 HB1 ALA 15 35.748 18.241 -2.997
133 HB2 ALA 15 HB2 ALA 15 36.750 19.513 -2.251
134 HB3 ALA 15 HB3 ALA 15 34.984 19.698 -2.326
135 H ALA 16 HN ALA 16 35.374 16.163 0.436
136 HA ALA 16 HA ALA 16 33.601 14.763 0.931
137 HB1 ALA 16 HB1 ALA 16 31.660 16.364 -0.748
138 HB2 ALA 16 HB2 ALA 16 32.234 17.017 0.804
139 HB3 ALA 16 HB3 ALA 16 31.378 15.457 0.757
140 H LEU 17 HN LEU 17 35.442 14.364 -1.192
141 HA LEU 17 HA LEU 17 35.666 12.968 -3.037
142 HB2 LEU 17 HB2 LEU 17 33.863 11.710 -1.447
143 HB3 LEU 17 HB1 LEU 17 32.826 11.963 -2.864
144 HG LEU 17 HG LEU 17 35.575 10.622 -2.926
145 HD11 LEU 17 HD11 LEU 17 33.941 9.248 -1.715
146 HD12 LEU 17 HD12 LEU 17 34.248 8.544 -3.320
147 HD13 LEU 17 HD13 LEU 17 32.754 9.465 -3.023
148 HD21 LEU 17 HD21 LEU 17 34.810 9.928 -5.216
149 HD22 LEU 17 HD22 LEU 17 34.997 11.690 -5.060
150 HD23 LEU 17 HD23 LEU 17 33.374 10.958 -5.017
151 H ASP 18 HN ASP 18 34.982 15.626 -3.513
152 HA ASP 18 HA ASP 18 34.099 17.021 -5.147
153 HB2 ASP 18 HB2 ASP 18 35.560 15.510 -6.515
154 HB3 ASP 18 HB1 ASP 18 34.136 14.489 -6.835
155 H HIS 19 HN HIS 19 32.197 15.755 -3.366
156 HA HIS 19 HA HIS 19 29.906 15.436 -3.175
157 HB2 HIS 19 HB2 HIS 19 29.971 17.759 -4.128
158 HB3 HIS 19 HB1 HIS 19 29.781 17.052 -5.750
159 HD1 HIS 19 HD1 HIS 19 28.027 15.846 -2.574
160 HD2 HIS 19 HD2 HIS 19 27.111 17.695 -6.239
161 HE1 HIS 19 HE1 HIS 19 25.481 15.988 -2.741
162 H LEU 20 HN LEU 20 30.797 13.155 -3.905
163 HA LEU 20 HA LEU 20 28.754 12.097 -5.692
164 HB2 LEU 20 HB2 LEU 20 30.541 13.005 -7.280
165 HB3 LEU 20 HB1 LEU 20 31.640 11.790 -6.594
166 HG LEU 20 HG LEU 20 29.689 10.080 -7.172
167 HD11 LEU 20 HD11 LEU 20 28.494 10.781 -9.283
168 HD12 LEU 20 HD12 LEU 20 29.073 12.439 -9.013
169 HD13 LEU 20 HD13 LEU 20 27.970 11.678 -7.842
170 HD21 LEU 20 HD21 LEU 20 30.653 9.757 -9.433
171 HD22 LEU 20 HD22 LEU 20 31.926 10.086 -8.232
172 HD23 LEU 20 HD23 LEU 20 31.400 11.371 -9.345
Start of MODEL 45
1 H1 TRP 1 HT1 TRP 1 45.989 13.939 8.672
2 H2 TRP 1 HT2 TRP 1 46.832 13.757 10.137
3 H3 TRP 1 HT3 TRP 1 45.531 14.845 10.029
4 HA TRP 1 HA TRP 1 44.622 13.068 11.114
5 HB2 TRP 1 HB2 TRP 1 44.134 12.735 8.128
6 HB3 TRP 1 HB1 TRP 1 43.149 11.976 9.402
7 HD1 TRP 1 HD1 TRP 1 43.559 15.142 7.487
8 HE1 TRP 1 HE1 TRP 1 41.967 16.991 8.386
9 HE3 TRP 1 HE3 TRP 1 42.061 12.877 11.828
10 HZ2 TRP 1 HZ2 TRP 1 40.283 17.400 10.687
11 HZ3 TRP 1 HZ3 TRP 1 40.462 14.014 13.359
12 HH2 TRP 1 HH2 TRP 1 39.572 16.271 12.794
13 H LEU 2 HN LEU 2 44.256 10.742 11.311
14 HA LEU 2 HA LEU 2 46.741 9.292 11.166
15 HB2 LEU 2 HB2 LEU 2 43.985 8.054 11.466
16 HB3 LEU 2 HB1 LEU 2 45.537 7.457 12.100
17 HG LEU 2 HG LEU 2 44.101 10.008 12.966
18 HD11 LEU 2 HD11 LEU 2 43.856 8.787 15.119
19 HD12 LEU 2 HD12 LEU 2 44.612 7.353 14.383
20 HD13 LEU 2 HD13 LEU 2 43.039 7.936 13.787
21 HD21 LEU 2 HD21 LEU 2 46.439 10.448 13.189
22 HD22 LEU 2 HD22 LEU 2 46.792 8.780 13.698
23 HD23 LEU 2 HD23 LEU 2 45.940 9.888 14.800
24 H ARG 3 HN ARG 3 44.463 10.050 8.809
25 HA ARG 3 HA ARG 3 44.262 9.409 6.603
26 HB2 ARG 3 HB2 ARG 3 46.560 7.459 6.990
27 HB3 ARG 3 HB1 ARG 3 45.989 8.205 5.484
28 HG2 ARG 3 HG2 ARG 3 46.562 10.471 6.517
29 HG3 ARG 3 HG1 ARG 3 47.385 9.578 7.817
30 HD2 ARG 3 HD2 ARG 3 49.014 10.193 6.090
31 HD3 ARG 3 HD1 ARG 3 48.791 8.427 6.099
32 HE ARG 3 HE ARG 3 46.957 9.388 4.212
33 HH11 ARG 3 HH11 ARG 3 47.862 8.292 2.258
34 HH12 ARG 3 HH12 ARG 3 49.364 8.936 1.687
35 HH21 ARG 3 HH21 ARG 3 49.979 10.770 4.566
36 HH22 ARG 3 HH22 ARG 3 50.564 10.337 2.993
37 H ARG 4 HN ARG 4 44.533 6.913 9.076
38 HA ARG 4 HA ARG 4 43.183 4.876 7.462
39 HB2 ARG 4 HB2 ARG 4 44.779 4.303 9.284
40 HB3 ARG 4 HB1 ARG 4 43.670 5.036 10.466
41 HG2 ARG 4 HG2 ARG 4 41.930 3.419 9.924
42 HG3 ARG 4 HG1 ARG 4 42.908 2.754 8.593
43 HD2 ARG 4 HD2 ARG 4 43.119 1.296 10.549
44 HD3 ARG 4 HD1 ARG 4 44.671 2.121 10.265
45 HE ARG 4 HE ARG 4 42.979 3.585 12.128
46 HH11 ARG 4 HH11 ARG 4 45.314 4.045 13.208
47 HH12 ARG 4 HH12 ARG 4 45.784 2.706 14.201
48 HH21 ARG 4 HH21 ARG 4 43.512 0.508 12.775
49 HH22 ARG 4 HH22 ARG 4 44.764 0.704 13.956
50 H ILE 5 HN ILE 5 42.344 7.522 9.571
51 HA ILE 5 HA ILE 5 39.450 6.971 9.071
52 HB ILE 5 HB ILE 5 40.435 7.640 11.880
53 HG12 ILE 5 HG12 ILE 5 39.727 4.931 10.659
54 HG13 ILE 5 HG11 ILE 5 41.303 5.420 11.324
55 HG21 ILE 5 HG21 ILE 5 38.172 7.192 12.528
56 HG22 ILE 5 HG22 ILE 5 37.790 6.443 10.958
57 HG23 ILE 5 HG23 ILE 5 38.054 8.199 11.068
58 HD11 ILE 5 HD1 ILE 5 38.704 4.905 12.808
59 HD12 ILE 5 HD2 ILE 5 40.015 5.863 13.541
60 HD13 ILE 5 HD3 ILE 5 40.302 4.170 13.075
61 H GLY 6 HN GLY 6 40.327 8.792 7.593
62 HA2 GLY 6 HA1 GLY 6 39.199 11.239 8.501
63 HA3 GLY 6 HA2 GLY 6 40.960 11.342 8.699
64 H LYS 7 HN LYS 7 41.522 9.588 6.410
65 HA LYS 7 HA LYS 7 42.044 9.916 4.170
66 HB2 LYS 7 HB2 LYS 7 39.152 10.839 4.292
67 HB3 LYS 7 HB1 LYS 7 40.055 10.804 2.760
68 HG2 LYS 7 HG2 LYS 7 38.728 8.714 3.167
69 HG3 LYS 7 HG1 LYS 7 40.473 8.411 3.001
70 HD2 LYS 7 HD2 LYS 7 40.761 8.066 5.336
71 HD3 LYS 7 HD1 LYS 7 39.200 8.828 5.733
72 HE2 LYS 7 HE2 LYS 7 39.446 6.263 4.106
73 HE3 LYS 7 HE1 LYS 7 39.225 6.285 5.871
74 HZ1 LYS 7 HZ1 LYS 7 37.408 7.677 3.972
75 HZ2 LYS 7 HZ2 LYS 7 37.163 7.403 5.631
76 HZ3 LYS 7 HZ3 LYS 7 37.135 6.102 4.539
77 H GLY 8 HN GLY 8 39.849 12.659 4.040
78 HA2 GLY 8 HA1 GLY 8 40.247 14.904 3.674
79 HA3 GLY 8 HA2 GLY 8 41.691 14.727 4.691
80 H VAL 9 HN VAL 9 40.575 13.758 1.410
81 HA VAL 9 HA VAL 9 43.270 13.841 0.341
82 HB VAL 9 HB VAL 9 40.735 14.095 -1.333
83 HG11 VAL 9 HG11 VAL 9 42.870 14.168 -2.546
84 HG12 VAL 9 HG12 VAL 9 42.064 12.614 -2.861
85 HG13 VAL 9 HG13 VAL 9 43.424 12.695 -1.717
86 HG21 VAL 9 HG21 VAL 9 40.223 12.357 0.277
87 HG22 VAL 9 HG22 VAL 9 41.842 11.639 0.094
88 HG23 VAL 9 HG23 VAL 9 40.676 11.561 -1.249
89 H LYS 10 HN LYS 10 41.260 16.243 1.405
90 HA LYS 10 HA LYS 10 41.323 18.540 1.218
91 HB2 LYS 10 HB2 LYS 10 43.739 18.243 -0.603
92 HB3 LYS 10 HB1 LYS 10 43.268 19.651 0.369
93 HG2 LYS 10 HG2 LYS 10 43.673 18.434 2.441
94 HG3 LYS 10 HG1 LYS 10 43.995 16.932 1.544
95 HD2 LYS 10 HD2 LYS 10 45.920 18.031 0.417
96 HD3 LYS 10 HD1 LYS 10 45.619 19.506 1.366
97 HE2 LYS 10 HE2 LYS 10 47.373 18.218 2.469
98 HE3 LYS 10 HE1 LYS 10 45.901 18.142 3.466
99 HZ1 LYS 10 HZ1 LYS 10 47.319 16.032 2.165
100 HZ2 LYS 10 HZ2 LYS 10 45.684 16.048 1.700
101 HZ3 LYS 10 HZ3 LYS 10 46.102 15.946 3.344
102 H ILE 11 HN ILE 11 41.233 16.542 -1.615
103 HA ILE 11 HA ILE 11 39.999 18.802 -3.195
104 HB ILE 11 HB ILE 11 41.290 16.245 -4.210
105 HG12 ILE 11 HG12 ILE 11 43.019 17.636 -3.214
106 HG13 ILE 11 HG11 ILE 11 43.153 17.757 -4.979
107 HG21 ILE 11 HG21 ILE 11 39.907 18.594 -5.532
108 HG22 ILE 11 HG22 ILE 11 39.843 16.867 -5.934
109 HG23 ILE 11 HG23 ILE 11 41.269 17.828 -6.382
110 HD11 ILE 11 HD1 ILE 11 43.355 19.999 -4.264
111 HD12 ILE 11 HD2 ILE 11 42.113 19.815 -3.007
112 HD13 ILE 11 HD3 ILE 11 41.642 19.886 -4.719
113 H ILE 12 HN ILE 12 39.892 15.297 -2.482
114 HA ILE 12 HA ILE 12 37.152 15.149 -3.672
115 HB ILE 12 HB ILE 12 39.014 12.998 -2.600
116 HG12 ILE 12 HG12 ILE 12 38.353 13.710 -5.502
117 HG13 ILE 12 HG11 ILE 12 39.809 14.272 -4.653
118 HG21 ILE 12 HG21 ILE 12 36.262 12.936 -3.891
119 HG22 ILE 12 HG22 ILE 12 36.877 11.993 -2.515
120 HG23 ILE 12 HG23 ILE 12 37.374 11.576 -4.161
121 HD11 ILE 12 HD1 ILE 12 40.700 12.362 -5.634
122 HD12 ILE 12 HD2 ILE 12 39.140 11.516 -5.675
123 HD13 ILE 12 HD3 ILE 12 40.062 11.606 -4.157
124 H GLY 13 HN GLY 13 38.114 12.911 -1.152
125 HA2 GLY 13 HA1 GLY 13 35.800 13.361 0.426
126 HA3 GLY 13 HA2 GLY 13 37.307 12.613 1.002
127 H GLY 14 HN GLY 14 38.381 15.251 -0.266
128 HA2 GLY 14 HA1 GLY 14 38.521 16.742 2.290
129 HA3 GLY 14 HA2 GLY 14 39.422 17.075 0.797
130 H ALA 15 HN ALA 15 37.472 17.248 -1.140
131 HA ALA 15 HA ALA 15 36.156 19.804 -0.303
132 HB1 ALA 15 HB1 ALA 15 35.718 20.148 -2.608
133 HB2 ALA 15 HB2 ALA 15 35.926 18.424 -2.998
134 HB3 ALA 15 HB3 ALA 15 37.338 19.417 -2.560
135 H ALA 16 HN ALA 16 35.487 17.147 0.802
136 HA ALA 16 HA ALA 16 33.533 16.189 1.584
137 HB1 ALA 16 HB1 ALA 16 31.813 17.793 -0.319
138 HB2 ALA 16 HB2 ALA 16 32.573 18.590 1.077
139 HB3 ALA 16 HB3 ALA 16 31.455 17.230 1.331
140 H LEU 17 HN LEU 17 35.092 14.907 -0.250
141 HA LEU 17 HA LEU 17 34.982 13.167 -1.788
142 HB2 LEU 17 HB2 LEU 17 31.965 13.181 -1.393
143 HB3 LEU 17 HB1 LEU 17 32.964 11.843 -1.987
144 HG LEU 17 HG LEU 17 33.503 13.008 0.772
145 HD11 LEU 17 HD11 LEU 17 31.118 12.551 0.832
146 HD12 LEU 17 HD12 LEU 17 31.961 11.236 1.686
147 HD13 LEU 17 HD13 LEU 17 31.355 10.979 0.033
148 HD21 LEU 17 HD21 LEU 17 35.026 11.292 -0.390
149 HD22 LEU 17 HD22 LEU 17 33.679 10.142 -0.257
150 HD23 LEU 17 HD23 LEU 17 34.418 10.820 1.212
151 H ASP 18 HN ASP 18 34.228 16.136 -2.418
152 HA ASP 18 HA ASP 18 33.763 17.348 -4.332
153 HB2 ASP 18 HB2 ASP 18 35.521 15.815 -5.264
154 HB3 ASP 18 HB1 ASP 18 34.224 14.727 -5.811
155 H HIS 19 HN HIS 19 32.512 14.209 -5.517
156 HA HIS 19 HA HIS 19 29.739 14.933 -4.991
157 HB2 HIS 19 HB2 HIS 19 30.238 16.442 -6.913
158 HB3 HIS 19 HB1 HIS 19 30.696 15.019 -7.881
159 HD1 HIS 19 HD1 HIS 19 27.711 15.721 -5.544
160 HD2 HIS 19 HD2 HIS 19 28.525 14.326 -9.425
161 HE1 HIS 19 HE1 HIS 19 25.472 15.156 -6.633
162 H LEU 20 HN LEU 20 31.170 12.730 -4.245
163 HA LEU 20 HA LEU 20 29.587 10.616 -5.436
164 HB2 LEU 20 HB2 LEU 20 31.178 10.697 -7.246
165 HB3 LEU 20 HB1 LEU 20 32.548 10.784 -6.119
166 HG LEU 20 HG LEU 20 32.197 8.501 -5.390
167 HD11 LEU 20 HD11 LEU 20 29.601 8.737 -6.962
168 HD12 LEU 20 HD12 LEU 20 29.824 8.280 -5.255
169 HD13 LEU 20 HD13 LEU 20 30.304 7.154 -6.545
170 HD21 LEU 20 HD21 LEU 20 32.491 7.284 -7.521
171 HD22 LEU 20 HD22 LEU 20 33.389 8.822 -7.546
172 HD23 LEU 20 HD23 LEU 20 31.843 8.680 -8.416
Start of MODEL 46
1 H1 TRP 1 HT1 TRP 1 37.857 1.697 10.776
2 H2 TRP 1 HT2 TRP 1 36.222 2.156 10.828
3 H3 TRP 1 HT3 TRP 1 37.034 1.729 12.258
4 HA TRP 1 HA TRP 1 36.838 4.224 10.972
5 HB2 TRP 1 HB2 TRP 1 38.291 3.483 13.536
6 HB3 TRP 1 HB1 TRP 1 37.516 5.030 13.118
7 HD1 TRP 1 HD1 TRP 1 34.731 4.476 12.321
8 HE1 TRP 1 HE1 TRP 1 32.975 3.242 13.789
9 HE3 TRP 1 HE3 TRP 1 37.914 1.954 15.438
10 HZ2 TRP 1 HZ2 TRP 1 32.985 1.414 16.014
11 HZ3 TRP 1 HZ3 TRP 1 37.020 0.471 17.227
12 HH2 TRP 1 HH2 TRP 1 34.561 0.198 17.518
13 H LEU 2 HN LEU 2 38.202 4.836 9.406
14 HA LEU 2 HA LEU 2 40.932 3.870 9.253
15 HB2 LEU 2 HB2 LEU 2 39.380 6.065 7.845
16 HB3 LEU 2 HB1 LEU 2 41.104 5.795 7.521
17 HG LEU 2 HG LEU 2 39.470 4.647 5.926
18 HD11 LEU 2 HD11 LEU 2 41.183 2.578 7.357
19 HD12 LEU 2 HD12 LEU 2 41.920 3.911 6.444
20 HD13 LEU 2 HD13 LEU 2 40.851 2.756 5.621
21 HD21 LEU 2 HD21 LEU 2 37.873 3.992 7.799
22 HD22 LEU 2 HD22 LEU 2 39.032 2.718 8.247
23 HD23 LEU 2 HD23 LEU 2 38.263 2.697 6.645
24 H ARG 3 HN ARG 3 40.261 7.310 9.038
25 HA ARG 3 HA ARG 3 41.927 7.821 11.492
26 HB2 ARG 3 HB2 ARG 3 42.306 9.014 8.714
27 HB3 ARG 3 HB1 ARG 3 43.039 9.680 10.194
28 HG2 ARG 3 HG2 ARG 3 44.175 7.522 10.612
29 HG3 ARG 3 HG1 ARG 3 43.436 6.845 9.140
30 HD2 ARG 3 HD2 ARG 3 45.758 7.618 8.713
31 HD3 ARG 3 HD1 ARG 3 44.575 8.553 7.767
32 HE ARG 3 HE ARG 3 45.002 9.936 10.215
33 HH11 ARG 3 HH11 ARG 3 45.296 11.748 8.195
34 HH12 ARG 3 HH12 ARG 3 46.989 11.875 7.852
35 HH21 ARG 3 HH21 ARG 3 47.800 8.893 9.425
36 HH22 ARG 3 HH22 ARG 3 48.407 10.258 8.548
37 H ARG 4 HN ARG 4 39.351 8.577 9.304
38 HA ARG 4 HA ARG 4 38.307 10.595 11.234
39 HB2 ARG 4 HB2 ARG 4 38.447 11.191 8.253
40 HB3 ARG 4 HB1 ARG 4 37.925 12.276 9.563
41 HG2 ARG 4 HG2 ARG 4 40.261 12.091 10.534
42 HG3 ARG 4 HG1 ARG 4 40.736 11.213 9.059
43 HD2 ARG 4 HD2 ARG 4 40.005 13.150 7.683
44 HD3 ARG 4 HD1 ARG 4 39.575 14.032 9.169
45 HE ARG 4 HE ARG 4 42.207 13.868 8.084
46 HH11 ARG 4 HH11 ARG 4 42.575 12.009 10.395
47 HH12 ARG 4 HH12 ARG 4 42.996 13.096 11.676
48 HH21 ARG 4 HH21 ARG 4 41.854 15.917 10.014
49 HH22 ARG 4 HH22 ARG 4 42.587 15.309 11.461
50 H ILE 5 HN ILE 5 37.870 7.781 9.831
51 HA ILE 5 HA ILE 5 36.010 6.517 9.292
52 HB ILE 5 HB ILE 5 34.272 8.829 10.253
53 HG12 ILE 5 HG12 ILE 5 35.702 6.661 11.859
54 HG13 ILE 5 HG11 ILE 5 35.998 8.412 11.951
55 HG21 ILE 5 HG21 ILE 5 32.650 7.124 10.698
56 HG22 ILE 5 HG22 ILE 5 33.847 5.823 10.490
57 HG23 ILE 5 HG23 ILE 5 33.289 6.756 9.081
58 HD11 ILE 5 HD1 ILE 5 33.556 6.854 12.862
59 HD12 ILE 5 HD2 ILE 5 33.470 8.607 12.555
60 HD13 ILE 5 HD3 ILE 5 34.573 7.972 13.799
61 H GLY 6 HN GLY 6 34.566 9.755 8.725
62 HA2 GLY 6 HA1 GLY 6 33.617 8.926 6.114
63 HA3 GLY 6 HA2 GLY 6 33.518 10.553 6.814
64 H LYS 7 HN LYS 7 36.658 9.178 6.854
65 HA LYS 7 HA LYS 7 38.589 9.786 5.727
66 HB2 LYS 7 HB2 LYS 7 36.789 9.962 3.282
67 HB3 LYS 7 HB1 LYS 7 38.541 9.648 3.317
68 HG2 LYS 7 HG2 LYS 7 38.053 7.570 4.688
69 HG3 LYS 7 HG1 LYS 7 36.323 7.849 4.377
70 HD2 LYS 7 HD2 LYS 7 36.879 7.871 1.890
71 HD3 LYS 7 HD1 LYS 7 38.512 7.311 2.329
72 HE2 LYS 7 HE2 LYS 7 37.421 5.382 3.566
73 HE3 LYS 7 HE1 LYS 7 35.868 5.893 2.863
74 HZ1 LYS 7 HZ1 LYS 7 37.084 5.769 0.647
75 HZ2 LYS 7 HZ2 LYS 7 36.698 4.295 1.398
76 HZ3 LYS 7 HZ3 LYS 7 38.286 4.897 1.467
77 H GLY 8 HN GLY 8 39.402 11.461 3.889
78 HA2 GLY 8 HA1 GLY 8 38.166 13.906 3.441
79 HA3 GLY 8 HA2 GLY 8 38.862 14.064 5.067
80 H VAL 9 HN VAL 9 39.608 13.316 1.666
81 HA VAL 9 HA VAL 9 42.446 13.286 1.951
82 HB VAL 9 HB VAL 9 40.778 14.133 -0.461
83 HG11 VAL 9 HG11 VAL 9 43.705 13.367 -0.105
84 HG12 VAL 9 HG12 VAL 9 43.052 14.874 -0.790
85 HG13 VAL 9 HG13 VAL 9 42.886 13.344 -1.684
86 HG21 VAL 9 HG21 VAL 9 40.268 11.855 0.402
87 HG22 VAL 9 HG22 VAL 9 41.999 11.450 0.325
88 HG23 VAL 9 HG23 VAL 9 41.098 11.790 -1.172
89 H LYS 10 HN LYS 10 41.084 15.840 -0.085
90 HA LYS 10 HA LYS 10 41.714 18.024 1.691
91 HB2 LYS 10 HB2 LYS 10 44.035 17.113 1.127
92 HB3 LYS 10 HB1 LYS 10 43.729 17.622 -0.550
93 HG2 LYS 10 HG2 LYS 10 43.201 19.946 0.382
94 HG3 LYS 10 HG1 LYS 10 43.845 19.374 1.938
95 HD2 LYS 10 HD2 LYS 10 45.377 19.331 -0.702
96 HD3 LYS 10 HD1 LYS 10 45.566 20.569 0.561
97 HE2 LYS 10 HE2 LYS 10 46.057 18.568 2.163
98 HE3 LYS 10 HE1 LYS 10 46.292 17.624 0.672
99 HZ1 LYS 10 HZ1 LYS 10 47.654 20.035 0.360
100 HZ2 LYS 10 HZ2 LYS 10 48.312 18.477 0.530
101 HZ3 LYS 10 HZ3 LYS 10 48.055 19.448 1.900
102 H ILE 11 HN ILE 11 41.119 16.687 -1.492
103 HA ILE 11 HA ILE 11 39.657 19.209 -2.230
104 HB ILE 11 HB ILE 11 41.316 17.613 -4.225
105 HG12 ILE 11 HG12 ILE 11 42.047 20.162 -2.708
106 HG13 ILE 11 HG11 ILE 11 42.844 18.579 -2.554
107 HG21 ILE 11 HG21 ILE 11 39.328 19.094 -4.937
108 HG22 ILE 11 HG22 ILE 11 40.891 19.453 -5.701
109 HG23 ILE 11 HG23 ILE 11 40.293 20.480 -4.376
110 HD11 ILE 11 HD1 ILE 11 43.266 18.763 -5.119
111 HD12 ILE 11 HD2 ILE 11 44.245 19.787 -4.043
112 HD13 ILE 11 HD3 ILE 11 42.864 20.486 -4.917
113 H ILE 12 HN ILE 12 40.317 15.771 -2.971
114 HA ILE 12 HA ILE 12 37.704 15.484 -4.319
115 HB ILE 12 HB ILE 12 39.800 13.443 -3.497
116 HG12 ILE 12 HG12 ILE 12 39.274 14.637 -6.263
117 HG13 ILE 12 HG11 ILE 12 40.514 15.260 -5.153
118 HG21 ILE 12 HG21 ILE 12 37.271 13.274 -5.187
119 HG22 ILE 12 HG22 ILE 12 37.783 12.222 -3.847
120 HG23 ILE 12 HG23 ILE 12 38.600 12.116 -5.415
121 HD11 ILE 12 HD1 ILE 12 41.811 13.777 -6.407
122 HD12 ILE 12 HD2 ILE 12 40.461 12.660 -6.696
123 HD13 ILE 12 HD3 ILE 12 41.282 12.674 -5.117
124 H GLY 13 HN GLY 13 38.907 12.984 -2.131
125 HA2 GLY 13 HA1 GLY 13 36.403 12.660 -0.801
126 HA3 GLY 13 HA2 GLY 13 37.980 12.100 -0.199
127 H GLY 14 HN GLY 14 38.621 15.067 -0.870
128 HA2 GLY 14 HA1 GLY 14 38.369 16.050 1.892
129 HA3 GLY 14 HA2 GLY 14 39.183 16.856 0.533
130 H ALA 15 HN ALA 15 37.223 16.994 -1.419
131 HA ALA 15 HA ALA 15 35.396 18.999 -0.147
132 HB1 ALA 15 HB1 ALA 15 34.766 19.578 -2.405
133 HB2 ALA 15 HB2 ALA 15 35.568 18.131 -3.057
134 HB3 ALA 15 HB3 ALA 15 36.539 19.447 -2.347
135 H ALA 16 HN ALA 16 35.311 16.112 0.425
136 HA ALA 16 HA ALA 16 33.614 14.630 0.937
137 HB1 ALA 16 HB1 ALA 16 31.361 15.240 0.806
138 HB2 ALA 16 HB2 ALA 16 31.582 16.163 -0.698
139 HB3 ALA 16 HB3 ALA 16 32.159 16.828 0.848
140 H LEU 17 HN LEU 17 35.426 14.277 -1.189
141 HA LEU 17 HA LEU 17 35.674 12.881 -3.031
142 HB2 LEU 17 HB2 LEU 17 33.882 11.587 -1.478
143 HB3 LEU 17 HB1 LEU 17 32.829 11.876 -2.875
144 HG LEU 17 HG LEU 17 35.577 10.539 -3.015
145 HD11 LEU 17 HD11 LEU 17 33.929 9.169 -1.776
146 HD12 LEU 17 HD12 LEU 17 34.290 8.454 -3.366
147 HD13 LEU 17 HD13 LEU 17 32.771 9.348 -3.115
148 HD21 LEU 17 HD21 LEU 17 34.967 11.618 -5.123
149 HD22 LEU 17 HD22 LEU 17 33.327 10.929 -5.044
150 HD23 LEU 17 HD23 LEU 17 34.730 9.865 -5.295
151 H ASP 18 HN ASP 18 35.159 15.474 -3.609
152 HA ASP 18 HA ASP 18 34.327 16.888 -5.255
153 HB2 ASP 18 HB2 ASP 18 35.599 15.212 -6.626
154 HB3 ASP 18 HB1 ASP 18 34.080 14.314 -6.859
155 H HIS 19 HN HIS 19 32.416 15.623 -3.368
156 HA HIS 19 HA HIS 19 30.122 15.493 -3.071
157 HB2 HIS 19 HB2 HIS 19 30.297 17.840 -3.935
158 HB3 HIS 19 HB1 HIS 19 29.994 17.217 -5.576
159 HD1 HIS 19 HD1 HIS 19 28.316 16.165 -2.288
160 HD2 HIS 19 HD2 HIS 19 27.334 17.855 -6.011
161 HE1 HIS 19 HE1 HIS 19 25.775 16.424 -2.361
162 H LEU 20 HN LEU 20 30.614 13.178 -3.777
163 HA LEU 20 HA LEU 20 30.072 12.199 -6.350
164 HB2 LEU 20 HB2 LEU 20 30.941 10.745 -4.627
165 HB3 LEU 20 HB1 LEU 20 29.508 11.000 -3.609
166 HG LEU 20 HG LEU 20 28.096 9.781 -5.162
167 HD11 LEU 20 HD11 LEU 20 29.260 8.695 -7.217
168 HD12 LEU 20 HD12 LEU 20 30.537 9.911 -6.973
169 HD13 LEU 20 HD13 LEU 20 28.869 10.427 -7.321
170 HD21 LEU 20 HD21 LEU 20 29.558 8.481 -3.576
171 HD22 LEU 20 HD22 LEU 20 30.739 8.285 -4.892
172 HD23 LEU 20 HD23 LEU 20 29.115 7.569 -5.038
Start of MODEL 47
1 H1 TRP 1 HT1 TRP 1 39.128 23.050 14.655
2 H2 TRP 1 HT2 TRP 1 37.602 22.315 14.519
3 H3 TRP 1 HT3 TRP 1 38.178 23.324 13.278
4 HA TRP 1 HA TRP 1 38.300 20.943 12.770
5 HB2 TRP 1 HB2 TRP 1 41.015 22.293 12.967
6 HB3 TRP 1 HB1 TRP 1 40.475 21.099 11.763
7 HD1 TRP 1 HD1 TRP 1 38.627 21.915 9.978
8 HE1 TRP 1 HE1 TRP 1 38.076 24.266 9.012
9 HE3 TRP 1 HE3 TRP 1 40.955 24.802 13.507
10 HZ2 TRP 1 HZ2 TRP 1 38.593 27.012 9.704
11 HZ3 TRP 1 HZ3 TRP 1 40.913 27.286 13.335
12 HH2 TRP 1 HH2 TRP 1 39.736 28.392 11.439
13 H LEU 2 HN LEU 2 38.406 19.039 13.745
14 HA LEU 2 HA LEU 2 39.552 18.697 16.351
15 HB2 LEU 2 HB2 LEU 2 37.766 17.247 15.631
16 HB3 LEU 2 HB1 LEU 2 38.688 16.724 14.206
17 HG LEU 2 HG LEU 2 40.282 15.523 15.584
18 HD11 LEU 2 HD11 LEU 2 38.879 16.946 17.879
19 HD12 LEU 2 HD12 LEU 2 40.614 16.926 17.483
20 HD13 LEU 2 HD13 LEU 2 39.837 15.470 18.143
21 HD21 LEU 2 HD21 LEU 2 38.059 14.449 15.113
22 HD22 LEU 2 HD22 LEU 2 37.483 15.033 16.692
23 HD23 LEU 2 HD23 LEU 2 38.817 13.857 16.612
24 H ARG 3 HN ARG 3 40.494 16.777 13.523
25 HA ARG 3 HA ARG 3 43.276 17.615 13.584
26 HB2 ARG 3 HB2 ARG 3 43.121 16.153 15.652
27 HB3 ARG 3 HB1 ARG 3 42.683 14.800 14.582
28 HG2 ARG 3 HG2 ARG 3 44.795 14.996 13.378
29 HG3 ARG 3 HG1 ARG 3 45.223 16.463 14.291
30 HD2 ARG 3 HD2 ARG 3 46.372 14.464 15.210
31 HD3 ARG 3 HD1 ARG 3 45.242 15.165 16.394
32 HE ARG 3 HE ARG 3 43.864 13.154 14.898
33 HH11 ARG 3 HH11 ARG 3 43.100 12.284 17.173
34 HH12 ARG 3 HH12 ARG 3 44.315 11.298 17.916
35 HH21 ARG 3 HH21 ARG 3 46.868 12.428 15.860
36 HH22 ARG 3 HH22 ARG 3 46.448 11.379 17.173
37 H ARG 4 HN ARG 4 40.561 15.873 12.515
38 HA ARG 4 HA ARG 4 41.801 15.457 9.855
39 HB2 ARG 4 HB2 ARG 4 40.479 13.189 11.408
40 HB3 ARG 4 HB1 ARG 4 41.043 13.118 9.722
41 HG2 ARG 4 HG2 ARG 4 43.363 13.745 10.599
42 HG3 ARG 4 HG1 ARG 4 42.725 13.463 12.237
43 HD2 ARG 4 HD2 ARG 4 42.679 11.415 9.978
44 HD3 ARG 4 HD1 ARG 4 43.870 11.446 11.302
45 HE ARG 4 HE ARG 4 41.375 11.434 12.569
46 HH11 ARG 4 HH11 ARG 4 40.393 9.507 13.218
47 HH12 ARG 4 HH12 ARG 4 40.811 8.026 12.423
48 HH21 ARG 4 HH21 ARG 4 43.075 9.517 10.261
49 HH22 ARG 4 HH22 ARG 4 42.329 8.032 10.749
50 H ILE 5 HN ILE 5 39.401 16.534 11.843
51 HA ILE 5 HA ILE 5 37.250 17.285 11.454
52 HB ILE 5 HB ILE 5 37.679 16.730 8.489
53 HG12 ILE 5 HG12 ILE 5 38.584 19.108 10.176
54 HG13 ILE 5 HG11 ILE 5 39.637 17.957 9.323
55 HG21 ILE 5 HG21 ILE 5 35.392 17.426 9.455
56 HG22 ILE 5 HG22 ILE 5 36.052 18.455 8.163
57 HG23 ILE 5 HG23 ILE 5 36.157 18.981 9.861
58 HD11 ILE 5 HD1 ILE 5 39.527 19.825 7.863
59 HD12 ILE 5 HD2 ILE 5 37.786 20.056 8.145
60 HD13 ILE 5 HD3 ILE 5 38.357 18.677 7.173
61 H GLY 6 HN GLY 6 37.458 14.947 8.741
62 HA2 GLY 6 HA1 GLY 6 35.829 12.986 10.216
63 HA3 GLY 6 HA2 GLY 6 34.997 13.800 8.875
64 H LYS 7 HN LYS 7 38.455 13.145 8.892
65 HA LYS 7 HA LYS 7 39.749 11.822 7.503
66 HB2 LYS 7 HB2 LYS 7 38.470 10.025 8.773
67 HB3 LYS 7 HB1 LYS 7 37.369 9.935 7.377
68 HG2 LYS 7 HG2 LYS 7 39.295 9.435 5.892
69 HG3 LYS 7 HG1 LYS 7 40.389 9.508 7.295
70 HD2 LYS 7 HD2 LYS 7 39.209 7.634 8.356
71 HD3 LYS 7 HD1 LYS 7 38.033 7.590 7.020
72 HE2 LYS 7 HE2 LYS 7 39.860 7.080 5.425
73 HE3 LYS 7 HE1 LYS 7 41.037 7.122 6.760
74 HZ1 LYS 7 HZ1 LYS 7 38.735 5.251 6.492
75 HZ2 LYS 7 HZ2 LYS 7 39.779 5.323 7.829
76 HZ3 LYS 7 HZ3 LYS 7 40.375 4.862 6.307
77 H GLY 8 HN GLY 8 40.244 12.445 5.519
78 HA2 GLY 8 HA1 GLY 8 38.448 11.870 3.288
79 HA3 GLY 8 HA2 GLY 8 38.579 13.605 3.646
80 H VAL 9 HN VAL 9 39.916 14.571 2.287
81 HA VAL 9 HA VAL 9 42.645 13.447 1.932
82 HB VAL 9 HB VAL 9 40.815 14.040 -0.445
83 HG11 VAL 9 HG11 VAL 9 42.853 13.214 -1.736
84 HG12 VAL 9 HG12 VAL 9 43.773 13.334 -0.216
85 HG13 VAL 9 HG13 VAL 9 43.064 14.793 -0.948
86 HG21 VAL 9 HG21 VAL 9 42.025 11.486 0.695
87 HG22 VAL 9 HG22 VAL 9 41.358 11.592 -0.951
88 HG23 VAL 9 HG23 VAL 9 40.302 11.860 0.454
89 H LYS 10 HN LYS 10 41.045 15.791 -0.199
90 HA LYS 10 HA LYS 10 41.809 18.125 1.314
91 HB2 LYS 10 HB2 LYS 10 44.078 17.198 0.575
92 HB3 LYS 10 HB1 LYS 10 43.586 17.576 -1.093
93 HG2 LYS 10 HG2 LYS 10 43.090 19.961 -0.246
94 HG3 LYS 10 HG1 LYS 10 43.964 19.502 1.234
95 HD2 LYS 10 HD2 LYS 10 45.100 19.352 -1.595
96 HD3 LYS 10 HD1 LYS 10 45.451 20.637 -0.416
97 HE2 LYS 10 HE2 LYS 10 46.208 18.717 1.167
98 HE3 LYS 10 HE1 LYS 10 46.218 17.700 -0.295
99 HZ1 LYS 10 HZ1 LYS 10 48.287 19.185 0.500
100 HZ2 LYS 10 HZ2 LYS 10 47.524 20.284 -0.546
101 HZ3 LYS 10 HZ3 LYS 10 48.005 18.759 -1.117
102 H ILE 11 HN ILE 11 41.024 16.560 -1.746
103 HA ILE 11 HA ILE 11 39.439 19.006 -2.526
104 HB ILE 11 HB ILE 11 40.825 17.159 -4.515
105 HG12 ILE 11 HG12 ILE 11 41.784 19.820 -3.366
106 HG13 ILE 11 HG11 ILE 11 42.563 18.237 -3.148
107 HG21 ILE 11 HG21 ILE 11 40.265 18.846 -6.121
108 HG22 ILE 11 HG22 ILE 11 39.855 20.027 -4.853
109 HG23 ILE 11 HG23 ILE 11 38.798 18.626 -5.142
110 HD11 ILE 11 HD1 ILE 11 42.673 18.154 -5.751
111 HD12 ILE 11 HD2 ILE 11 43.797 19.245 -4.908
112 HD13 ILE 11 HD3 ILE 11 42.333 19.901 -5.678
113 H ILE 12 HN ILE 12 39.974 15.508 -3.092
114 HA ILE 12 HA ILE 12 37.268 15.121 -4.115
115 HB ILE 12 HB ILE 12 39.350 13.161 -3.091
116 HG12 ILE 12 HG12 ILE 12 38.726 13.636 -6.035
117 HG13 ILE 12 HG11 ILE 12 39.819 14.749 -5.184
118 HG21 ILE 12 HG21 ILE 12 37.405 11.842 -3.126
119 HG22 ILE 12 HG22 ILE 12 37.926 11.639 -4.809
120 HG23 ILE 12 HG23 ILE 12 36.643 12.803 -4.414
121 HD11 ILE 12 HD1 ILE 12 40.168 11.726 -5.448
122 HD12 ILE 12 HD2 ILE 12 41.220 12.790 -4.486
123 HD13 ILE 12 HD3 ILE 12 41.133 12.985 -6.251
124 H GLY 13 HN GLY 13 38.467 12.893 -1.665
125 HA2 GLY 13 HA1 GLY 13 36.046 12.844 -0.180
126 HA3 GLY 13 HA2 GLY 13 37.643 12.357 0.435
127 H GLY 14 HN GLY 14 38.325 15.167 -0.670
128 HA2 GLY 14 HA1 GLY 14 38.181 16.545 1.924
129 HA3 GLY 14 HA2 GLY 14 38.941 17.139 0.431
130 H ALA 15 HN ALA 15 36.892 17.012 -1.430
131 HA ALA 15 HA ALA 15 35.113 19.186 -0.369
132 HB1 ALA 15 HB1 ALA 15 36.222 19.379 -2.627
133 HB2 ALA 15 HB2 ALA 15 34.450 19.515 -2.665
134 HB3 ALA 15 HB3 ALA 15 35.233 18.000 -3.168
135 H ALA 16 HN ALA 16 35.017 16.423 0.569
136 HA ALA 16 HA ALA 16 33.330 15.003 1.259
137 HB1 ALA 16 HB1 ALA 16 31.074 15.597 1.076
138 HB2 ALA 16 HB2 ALA 16 31.287 16.346 -0.524
139 HB3 ALA 16 HB3 ALA 16 31.879 17.176 0.934
140 H LEU 17 HN LEU 17 35.115 14.392 -0.831
141 HA LEU 17 HA LEU 17 35.332 12.711 -2.423
142 HB2 LEU 17 HB2 LEU 17 33.319 11.774 -0.849
143 HB3 LEU 17 HB1 LEU 17 32.424 11.924 -2.375
144 HG LEU 17 HG LEU 17 35.053 10.404 -2.017
145 HD11 LEU 17 HD11 LEU 17 33.177 9.301 -0.863
146 HD12 LEU 17 HD12 LEU 17 33.619 8.392 -2.329
147 HD13 LEU 17 HD13 LEU 17 32.177 9.436 -2.329
148 HD21 LEU 17 HD21 LEU 17 33.114 10.649 -4.363
149 HD22 LEU 17 HD22 LEU 17 34.496 9.531 -4.296
150 HD23 LEU 17 HD23 LEU 17 34.773 11.288 -4.296
151 H ASP 18 HN ASP 18 34.801 15.386 -3.165
152 HA ASP 18 HA ASP 18 34.086 16.666 -4.972
153 HB2 ASP 18 HB2 ASP 18 35.689 15.050 -6.040
154 HB3 ASP 18 HB1 ASP 18 34.298 14.024 -6.466
155 H HIS 19 HN HIS 19 31.951 16.021 -3.419
156 HA HIS 19 HA HIS 19 29.643 15.772 -3.459
157 HB2 HIS 19 HB2 HIS 19 30.112 16.669 -6.328
158 HB3 HIS 19 HB1 HIS 19 28.510 16.566 -5.559
159 HD1 HIS 19 HD1 HIS 19 29.112 17.660 -2.755
160 HD2 HIS 19 HD2 HIS 19 30.631 19.393 -6.274
161 HE1 HIS 19 HE1 HIS 19 29.663 20.098 -2.226
162 H LEU 20 HN LEU 20 30.556 13.375 -3.355
163 HA LEU 20 HA LEU 20 30.225 11.158 -3.957
164 HB2 LEU 20 HB2 LEU 20 27.718 12.501 -5.022
165 HB3 LEU 20 HB1 LEU 20 27.965 10.747 -5.187
166 HG LEU 20 HG LEU 20 28.180 10.501 -2.764
167 HD11 LEU 20 HD11 LEU 20 28.043 13.541 -2.807
168 HD12 LEU 20 HD12 LEU 20 29.274 12.496 -2.056
169 HD13 LEU 20 HD13 LEU 20 27.649 12.607 -1.344
170 HD21 LEU 20 HD21 LEU 20 25.896 11.016 -2.138
171 HD22 LEU 20 HD22 LEU 20 25.894 10.604 -3.871
172 HD23 LEU 20 HD23 LEU 20 25.796 12.307 -3.361
Start of MODEL 48
1 H1 TRP 1 HT1 TRP 1 39.861 3.037 9.655
2 H2 TRP 1 HT2 TRP 1 39.373 3.454 8.082
3 H3 TRP 1 HT3 TRP 1 39.573 4.661 9.262
4 HA TRP 1 HA TRP 1 41.841 2.951 8.636
5 HB2 TRP 1 HB2 TRP 1 40.943 5.296 6.913
6 HB3 TRP 1 HB1 TRP 1 42.465 4.386 6.745
7 HD1 TRP 1 HD1 TRP 1 42.073 1.625 6.351
8 HE1 TRP 1 HE1 TRP 1 40.355 0.446 4.794
9 HE3 TRP 1 HE3 TRP 1 38.713 5.451 5.812
10 HZ2 TRP 1 HZ2 TRP 1 37.867 1.107 3.505
11 HZ3 TRP 1 HZ3 TRP 1 36.674 5.154 4.413
12 HH2 TRP 1 HH2 TRP 1 36.249 2.988 3.260
13 H LEU 2 HN LEU 2 43.826 4.408 8.611
14 HA LEU 2 HA LEU 2 43.770 5.991 11.061
15 HB2 LEU 2 HB2 LEU 2 46.027 5.905 9.028
16 HB3 LEU 2 HB1 LEU 2 46.125 6.172 10.786
17 HG LEU 2 HG LEU 2 45.285 3.580 9.407
18 HD11 LEU 2 HD11 LEU 2 47.397 2.709 10.341
19 HD12 LEU 2 HD12 LEU 2 47.760 4.306 11.038
20 HD13 LEU 2 HD13 LEU 2 47.713 4.095 9.271
21 HD21 LEU 2 HD21 LEU 2 44.070 3.694 11.466
22 HD22 LEU 2 HD22 LEU 2 45.440 4.432 12.329
23 HD23 LEU 2 HD23 LEU 2 45.510 2.722 11.840
24 H ARG 3 HN ARG 3 42.901 6.619 7.884
25 HA ARG 3 HA ARG 3 42.326 8.565 6.790
26 HB2 ARG 3 HB2 ARG 3 42.960 10.114 9.324
27 HB3 ARG 3 HB1 ARG 3 41.846 10.553 8.010
28 HG2 ARG 3 HG2 ARG 3 40.528 8.434 8.577
29 HG3 ARG 3 HG1 ARG 3 41.524 8.311 10.045
30 HD2 ARG 3 HD2 ARG 3 39.738 10.653 9.261
31 HD3 ARG 3 HD1 ARG 3 39.447 9.492 10.577
32 HE ARG 3 HE ARG 3 41.038 11.828 10.828
33 HH11 ARG 3 HH11 ARG 3 43.487 11.003 11.182
34 HH12 ARG 3 HH12 ARG 3 43.586 10.015 12.601
35 HH21 ARG 3 HH21 ARG 3 40.171 9.441 12.762
36 HH22 ARG 3 HH22 ARG 3 41.709 9.130 13.495
37 H ARG 4 HN ARG 4 45.378 8.388 8.495
38 HA ARG 4 HA ARG 4 46.550 10.623 6.941
39 HB2 ARG 4 HB2 ARG 4 47.203 10.262 9.302
40 HB3 ARG 4 HB1 ARG 4 47.811 8.643 8.882
41 HG2 ARG 4 HG2 ARG 4 49.505 9.568 7.428
42 HG3 ARG 4 HG1 ARG 4 48.799 11.198 7.550
43 HD2 ARG 4 HD2 ARG 4 50.860 10.747 9.016
44 HD3 ARG 4 HD1 ARG 4 49.433 11.407 9.851
45 HE ARG 4 HE ARG 4 49.289 8.562 9.968
46 HH11 ARG 4 HH11 ARG 4 52.003 10.429 10.592
47 HH12 ARG 4 HH12 ARG 4 52.144 9.985 12.261
48 HH21 ARG 4 HH21 ARG 4 49.110 8.309 12.347
49 HH22 ARG 4 HH22 ARG 4 50.507 8.785 13.253
50 H ILE 5 HN ILE 5 46.669 7.064 7.146
51 HA ILE 5 HA ILE 5 48.800 6.605 5.358
52 HB ILE 5 HB ILE 5 47.765 4.774 6.623
53 HG12 ILE 5 HG12 ILE 5 47.587 3.074 4.879
54 HG13 ILE 5 HG11 ILE 5 47.254 4.302 3.643
55 HG21 ILE 5 HG21 ILE 5 45.343 5.144 4.813
56 HG22 ILE 5 HG22 ILE 5 45.438 5.721 6.494
57 HG23 ILE 5 HG23 ILE 5 45.518 3.977 6.145
58 HD11 ILE 5 HD1 ILE 5 49.481 5.109 3.670
59 HD12 ILE 5 HD2 ILE 5 49.690 3.353 3.850
60 HD13 ILE 5 HD3 ILE 5 49.816 4.413 5.274
61 H GLY 6 HN GLY 6 45.398 7.398 4.745
62 HA2 GLY 6 HA1 GLY 6 45.547 6.918 1.892
63 HA3 GLY 6 HA2 GLY 6 44.274 7.803 2.756
64 H LYS 7 HN LYS 7 45.219 9.976 3.755
65 HA LYS 7 HA LYS 7 45.766 12.150 3.126
66 HB2 LYS 7 HB2 LYS 7 48.015 11.097 3.610
67 HB3 LYS 7 HB1 LYS 7 48.192 10.823 1.860
68 HG2 LYS 7 HG2 LYS 7 47.917 13.256 1.453
69 HG3 LYS 7 HG1 LYS 7 47.758 13.526 3.206
70 HD2 LYS 7 HD2 LYS 7 50.023 12.608 3.566
71 HD3 LYS 7 HD1 LYS 7 50.185 12.305 1.818
72 HE2 LYS 7 HE2 LYS 7 51.303 14.409 2.355
73 HE3 LYS 7 HE1 LYS 7 49.833 14.764 1.415
74 HZ1 LYS 7 HZ1 LYS 7 49.989 16.230 3.308
75 HZ2 LYS 7 HZ2 LYS 7 50.116 14.915 4.377
76 HZ3 LYS 7 HZ3 LYS 7 48.673 15.181 3.521
77 H GLY 8 HN GLY 8 43.977 12.313 1.636
78 HA2 GLY 8 HA1 GLY 8 44.843 13.165 -0.978
79 HA3 GLY 8 HA2 GLY 8 44.040 11.586 -1.078
80 H VAL 9 HN VAL 9 42.507 12.612 1.468
81 HA VAL 9 HA VAL 9 40.189 13.522 -0.059
82 HB VAL 9 HB VAL 9 39.094 13.699 2.165
83 HG11 VAL 9 HG11 VAL 9 40.745 11.150 1.896
84 HG12 VAL 9 HG12 VAL 9 39.303 11.513 0.916
85 HG13 VAL 9 HG13 VAL 9 39.155 11.320 2.680
86 HG21 VAL 9 HG21 VAL 9 40.441 12.890 4.155
87 HG22 VAL 9 HG22 VAL 9 40.954 14.473 3.523
88 HG23 VAL 9 HG23 VAL 9 41.900 13.014 3.144
89 H LYS 10 HN LYS 10 42.785 15.179 0.198
90 HA LYS 10 HA LYS 10 42.001 17.556 1.679
91 HB2 LYS 10 HB2 LYS 10 44.372 16.777 1.068
92 HB3 LYS 10 HB1 LYS 10 44.043 17.394 -0.568
93 HG2 LYS 10 HG2 LYS 10 43.383 19.615 0.582
94 HG3 LYS 10 HG1 LYS 10 44.141 18.950 2.047
95 HD2 LYS 10 HD2 LYS 10 45.482 19.356 -0.663
96 HD3 LYS 10 HD1 LYS 10 45.769 20.313 0.809
97 HE2 LYS 10 HE2 LYS 10 46.501 17.417 0.264
98 HE3 LYS 10 HE1 LYS 10 47.559 18.753 0.770
99 HZ1 LYS 10 HZ1 LYS 10 45.451 17.423 2.396
100 HZ2 LYS 10 HZ2 LYS 10 46.285 18.822 2.879
101 HZ3 LYS 10 HZ3 LYS 10 47.127 17.366 2.647
102 H ILE 11 HN ILE 11 41.360 16.257 -1.467
103 HA ILE 11 HA ILE 11 39.959 18.815 -2.243
104 HB ILE 11 HB ILE 11 41.338 16.931 -4.188
105 HG12 ILE 11 HG12 ILE 11 42.382 19.504 -2.916
106 HG13 ILE 11 HG11 ILE 11 43.064 17.872 -2.722
107 HG21 ILE 11 HG21 ILE 11 40.553 19.859 -4.522
108 HG22 ILE 11 HG22 ILE 11 39.440 18.526 -4.909
109 HG23 ILE 11 HG23 ILE 11 40.975 18.685 -5.791
110 HD11 ILE 11 HD1 ILE 11 44.438 18.880 -4.376
111 HD12 ILE 11 HD2 ILE 11 43.052 19.638 -5.193
112 HD13 ILE 11 HD3 ILE 11 43.306 17.879 -5.316
113 H ILE 12 HN ILE 12 40.227 15.287 -2.440
114 HA ILE 12 HA ILE 12 37.738 14.956 -3.933
115 HB ILE 12 HB ILE 12 39.372 13.047 -2.235
116 HG12 ILE 12 HG12 ILE 12 39.314 13.300 -5.280
117 HG13 ILE 12 HG11 ILE 12 40.501 14.152 -4.269
118 HG21 ILE 12 HG21 ILE 12 37.167 12.103 -2.511
119 HG22 ILE 12 HG22 ILE 12 38.182 11.299 -3.722
120 HG23 ILE 12 HG23 ILE 12 37.088 12.612 -4.212
121 HD11 ILE 12 HD1 ILE 12 41.686 12.205 -4.828
122 HD12 ILE 12 HD2 ILE 12 40.235 11.182 -4.809
123 HD13 ILE 12 HD3 ILE 12 40.964 11.721 -3.278
124 H GLY 13 HN GLY 13 38.386 13.252 -0.890
125 HA2 GLY 13 HA1 GLY 13 35.705 13.605 0.078
126 HA3 GLY 13 HA2 GLY 13 37.113 13.090 1.036
127 H GLY 14 HN GLY 14 38.199 15.622 -0.520
128 HA2 GLY 14 HA1 GLY 14 37.881 17.461 1.782
129 HA3 GLY 14 HA2 GLY 14 38.900 17.699 0.344
130 H ALA 15 HN ALA 15 37.061 17.308 -1.713
131 HA ALA 15 HA ALA 15 35.486 19.838 -1.449
132 HB1 ALA 15 HB1 ALA 15 35.822 17.940 -3.808
133 HB2 ALA 15 HB2 ALA 15 36.795 19.404 -3.518
134 HB3 ALA 15 HB3 ALA 15 35.053 19.542 -3.842
135 H ALA 16 HN ALA 16 34.953 17.390 0.087
136 HA ALA 16 HA ALA 16 33.029 16.396 0.895
137 HB1 ALA 16 HB1 ALA 16 31.907 18.543 -0.142
138 HB2 ALA 16 HB2 ALA 16 30.898 17.141 0.289
139 HB3 ALA 16 HB3 ALA 16 31.355 17.420 -1.407
140 H LEU 17 HN LEU 17 34.942 15.161 -0.865
141 HA LEU 17 HA LEU 17 35.116 13.239 -2.172
142 HB2 LEU 17 HB2 LEU 17 33.408 12.649 -0.139
143 HB3 LEU 17 HB1 LEU 17 32.318 12.339 -1.505
144 HG LEU 17 HG LEU 17 35.099 11.112 -1.166
145 HD11 LEU 17 HD11 LEU 17 33.365 10.346 0.499
146 HD12 LEU 17 HD12 LEU 17 33.931 9.057 -0.591
147 HD13 LEU 17 HD13 LEU 17 32.350 9.827 -0.867
148 HD21 LEU 17 HD21 LEU 17 34.303 9.619 -3.020
149 HD22 LEU 17 HD22 LEU 17 34.444 11.320 -3.523
150 HD23 LEU 17 HD23 LEU 17 32.844 10.626 -3.166
151 H ASP 18 HN ASP 18 34.360 15.524 -3.554
152 HA ASP 18 HA ASP 18 33.381 16.217 -5.543
153 HB2 ASP 18 HB2 ASP 18 34.806 14.311 -6.326
154 HB3 ASP 18 HB1 ASP 18 33.393 13.239 -6.171
155 H HIS 19 HN HIS 19 31.562 15.865 -3.398
156 HA HIS 19 HA HIS 19 29.288 15.629 -2.984
157 HB2 HIS 19 HB2 HIS 19 28.992 16.010 -5.986
158 HB3 HIS 19 HB1 HIS 19 27.815 16.421 -4.715
159 HD1 HIS 19 HD1 HIS 19 29.702 17.794 -2.671
160 HD2 HIS 19 HD2 HIS 19 29.826 18.532 -6.810
161 HE1 HIS 19 HE1 HIS 19 30.739 20.105 -3.002
162 H LEU 20 HN LEU 20 30.582 13.199 -3.162
163 HA LEU 20 HA LEU 20 30.222 10.947 -3.567
164 HB2 LEU 20 HB2 LEU 20 28.320 11.290 -2.125
165 HB3 LEU 20 HB1 LEU 20 27.368 11.997 -3.447
166 HG LEU 20 HG LEU 20 27.219 9.863 -4.587
167 HD11 LEU 20 HD11 LEU 20 29.373 8.879 -4.301
168 HD12 LEU 20 HD12 LEU 20 28.276 7.804 -3.406
169 HD13 LEU 20 HD13 LEU 20 29.280 8.983 -2.527
170 HD21 LEU 20 HD21 LEU 20 26.843 9.326 -1.610
171 HD22 LEU 20 HD22 LEU 20 25.955 8.583 -2.964
172 HD23 LEU 20 HD23 LEU 20 25.724 10.306 -2.587
Start of MODEL 49
1 H1 TRP 1 HT1 TRP 1 35.173 14.742 17.794
2 H2 TRP 1 HT2 TRP 1 36.659 14.418 18.552
3 H3 TRP 1 HT3 TRP 1 35.997 13.300 17.457
4 HA TRP 1 HA TRP 1 36.292 15.887 16.323
5 HB2 TRP 1 HB2 TRP 1 38.839 14.406 17.061
6 HB3 TRP 1 HB1 TRP 1 38.682 15.999 16.281
7 HD1 TRP 1 HD1 TRP 1 38.685 14.295 19.642
8 HE1 TRP 1 HE1 TRP 1 38.462 16.047 21.549
9 HE3 TRP 1 HE3 TRP 1 37.550 18.416 16.823
10 HZ2 TRP 1 HZ2 TRP 1 37.869 18.855 21.785
11 HZ3 TRP 1 HZ3 TRP 1 37.160 20.621 17.913
12 HH2 TRP 1 HH2 TRP 1 37.318 20.844 20.388
13 H LEU 2 HN LEU 2 35.195 14.995 14.614
14 HA LEU 2 HA LEU 2 34.908 13.704 12.706
15 HB2 LEU 2 HB2 LEU 2 37.927 13.854 12.930
16 HB3 LEU 2 HB1 LEU 2 37.144 13.020 11.575
17 HG LEU 2 HG LEU 2 37.799 15.475 11.194
18 HD11 LEU 2 HD11 LEU 2 35.951 15.898 9.773
19 HD12 LEU 2 HD12 LEU 2 34.809 15.044 10.829
20 HD13 LEU 2 HD13 LEU 2 36.007 14.127 9.889
21 HD21 LEU 2 HD21 LEU 2 35.324 16.038 12.888
22 HD22 LEU 2 HD22 LEU 2 36.421 17.216 12.131
23 HD23 LEU 2 HD23 LEU 2 36.991 16.215 13.485
24 H ARG 3 HN ARG 3 37.859 12.028 13.554
25 HA ARG 3 HA ARG 3 36.687 9.804 14.944
26 HB2 ARG 3 HB2 ARG 3 35.660 9.456 12.646
27 HB3 ARG 3 HB1 ARG 3 37.311 9.253 12.014
28 HG2 ARG 3 HG2 ARG 3 37.697 7.349 13.488
29 HG3 ARG 3 HG1 ARG 3 36.121 7.596 14.279
30 HD2 ARG 3 HD2 ARG 3 34.963 7.154 12.143
31 HD3 ARG 3 HD1 ARG 3 36.531 6.937 11.329
32 HE ARG 3 HE ARG 3 36.203 5.168 13.629
33 HH11 ARG 3 HH11 ARG 3 34.938 5.686 10.490
34 HH12 ARG 3 HH12 ARG 3 35.027 4.020 10.023
35 HH21 ARG 3 HH21 ARG 3 36.574 3.005 12.955
36 HH22 ARG 3 HH22 ARG 3 35.953 2.501 11.418
37 H ARG 4 HN ARG 4 39.104 11.361 13.035
38 HA ARG 4 HA ARG 4 41.259 10.522 14.713
39 HB2 ARG 4 HB2 ARG 4 42.514 9.158 13.003
40 HB3 ARG 4 HB1 ARG 4 41.079 8.340 13.667
41 HG2 ARG 4 HG2 ARG 4 39.761 9.070 11.686
42 HG3 ARG 4 HG1 ARG 4 41.219 9.841 11.015
43 HD2 ARG 4 HD2 ARG 4 40.857 6.873 11.627
44 HD3 ARG 4 HD1 ARG 4 40.940 7.620 10.012
45 HE ARG 4 HE ARG 4 43.303 8.324 11.458
46 HH11 ARG 4 HH11 ARG 4 43.632 7.318 8.774
47 HH12 ARG 4 HH12 ARG 4 44.233 5.709 8.991
48 HH21 ARG 4 HH21 ARG 4 43.247 5.504 12.309
49 HH22 ARG 4 HH22 ARG 4 44.015 4.681 10.991
50 H ILE 5 HN ILE 5 39.755 12.476 12.610
51 HA ILE 5 HA ILE 5 40.408 14.277 11.296
52 HB ILE 5 HB ILE 5 42.970 14.294 12.947
53 HG12 ILE 5 HG12 ILE 5 40.178 15.281 13.697
54 HG13 ILE 5 HG11 ILE 5 41.061 13.944 14.469
55 HG21 ILE 5 HG21 ILE 5 41.253 16.610 11.962
56 HG22 ILE 5 HG22 ILE 5 42.567 15.916 10.984
57 HG23 ILE 5 HG23 ILE 5 42.930 16.658 12.557
58 HD11 ILE 5 HD1 ILE 5 41.447 15.794 15.906
59 HD12 ILE 5 HD2 ILE 5 41.681 16.916 14.545
60 HD13 ILE 5 HD3 ILE 5 42.929 15.702 14.926
61 H GLY 6 HN GLY 6 40.629 12.724 9.486
62 HA2 GLY 6 HA1 GLY 6 42.844 13.251 7.889
63 HA3 GLY 6 HA2 GLY 6 43.281 11.775 8.774
64 H LYS 7 HN LYS 7 39.917 12.138 8.318
65 HA LYS 7 HA LYS 7 39.770 9.779 6.675
66 HB2 LYS 7 HB2 LYS 7 37.980 10.595 8.245
67 HB3 LYS 7 HB1 LYS 7 37.630 11.900 7.086
68 HG2 LYS 7 HG2 LYS 7 37.066 10.285 5.350
69 HG3 LYS 7 HG1 LYS 7 37.571 8.932 6.391
70 HD2 LYS 7 HD2 LYS 7 35.790 9.465 8.000
71 HD3 LYS 7 HD1 LYS 7 35.310 10.879 7.030
72 HE2 LYS 7 HE2 LYS 7 35.336 8.033 5.942
73 HE3 LYS 7 HE1 LYS 7 33.895 8.797 6.656
74 HZ1 LYS 7 HZ1 LYS 7 34.323 8.950 4.113
75 HZ2 LYS 7 HZ2 LYS 7 35.390 10.202 4.539
76 HZ3 LYS 7 HZ3 LYS 7 33.745 10.307 4.950
77 H GLY 8 HN GLY 8 38.641 13.101 5.878
78 HA2 GLY 8 HA1 GLY 8 38.569 12.552 3.056
79 HA3 GLY 8 HA2 GLY 8 38.476 14.150 3.822
80 H VAL 9 HN VAL 9 39.904 13.187 1.378
81 HA VAL 9 HA VAL 9 42.732 13.155 2.007
82 HB VAL 9 HB VAL 9 41.325 13.820 -0.620
83 HG11 VAL 9 HG11 VAL 9 43.595 14.631 -0.710
84 HG12 VAL 9 HG12 VAL 9 43.583 13.063 -1.552
85 HG13 VAL 9 HG13 VAL 9 44.213 13.179 0.110
86 HG21 VAL 9 HG21 VAL 9 41.763 11.468 -1.174
87 HG22 VAL 9 HG22 VAL 9 40.809 11.558 0.327
88 HG23 VAL 9 HG23 VAL 9 42.554 11.219 0.402
89 H LYS 10 HN LYS 10 41.306 15.569 -0.198
90 HA LYS 10 HA LYS 10 41.837 17.826 1.525
91 HB2 LYS 10 HB2 LYS 10 44.194 17.061 0.995
92 HB3 LYS 10 HB1 LYS 10 43.857 17.430 -0.714
93 HG2 LYS 10 HG2 LYS 10 43.332 19.772 -0.116
94 HG3 LYS 10 HG1 LYS 10 43.649 19.410 1.598
95 HD2 LYS 10 HD2 LYS 10 45.980 18.854 1.090
96 HD3 LYS 10 HD1 LYS 10 45.685 19.086 -0.650
97 HE2 LYS 10 HE2 LYS 10 45.414 21.233 1.500
98 HE3 LYS 10 HE1 LYS 10 46.756 21.088 0.340
99 HZ1 LYS 10 HZ1 LYS 10 43.898 21.653 -0.245
100 HZ2 LYS 10 HZ2 LYS 10 45.020 21.225 -1.446
101 HZ3 LYS 10 HZ3 LYS 10 45.237 22.649 -0.545
102 H ILE 11 HN ILE 11 41.197 16.388 -1.600
103 HA ILE 11 HA ILE 11 39.744 18.906 -2.403
104 HB ILE 11 HB ILE 11 41.213 17.105 -4.373
105 HG12 ILE 11 HG12 ILE 11 42.138 19.694 -3.044
106 HG13 ILE 11 HG11 ILE 11 42.894 18.092 -2.888
107 HG21 ILE 11 HG21 ILE 11 39.250 18.625 -5.071
108 HG22 ILE 11 HG22 ILE 11 40.780 18.866 -5.943
109 HG23 ILE 11 HG23 ILE 11 40.301 19.999 -4.657
110 HD11 ILE 11 HD1 ILE 11 42.804 19.913 -5.315
111 HD12 ILE 11 HD2 ILE 11 43.132 18.170 -5.482
112 HD13 ILE 11 HD3 ILE 11 44.221 19.195 -4.518
113 H ILE 12 HN ILE 12 40.221 15.413 -3.095
114 HA ILE 12 HA ILE 12 37.490 15.201 -4.184
115 HB ILE 12 HB ILE 12 39.530 13.071 -3.452
116 HG12 ILE 12 HG12 ILE 12 40.514 14.567 -5.086
117 HG13 ILE 12 HG11 ILE 12 40.066 13.066 -5.921
118 HG21 ILE 12 HG21 ILE 12 36.840 12.996 -4.841
119 HG22 ILE 12 HG22 ILE 12 37.573 11.824 -3.727
120 HG23 ILE 12 HG23 ILE 12 38.105 11.885 -5.419
121 HD11 ILE 12 HD1 ILE 12 37.821 14.333 -6.468
122 HD12 ILE 12 HD2 ILE 12 39.282 14.735 -7.393
123 HD13 ILE 12 HD3 ILE 12 38.751 15.795 -6.069
124 H GLY 13 HN GLY 13 38.676 12.647 -2.070
125 HA2 GLY 13 HA1 GLY 13 36.280 12.498 -0.555
126 HA3 GLY 13 HA2 GLY 13 37.862 11.870 -0.041
127 H GLY 14 HN GLY 14 38.604 14.794 -0.788
128 HA2 GLY 14 HA1 GLY 14 38.558 15.824 1.967
129 HA3 GLY 14 HA2 GLY 14 39.331 16.572 0.550
130 H ALA 15 HN ALA 15 37.286 16.792 -1.292
131 HA ALA 15 HA ALA 15 35.581 18.851 0.083
132 HB1 ALA 15 HB1 ALA 15 36.719 19.282 -2.157
133 HB2 ALA 15 HB2 ALA 15 34.967 19.580 -2.110
134 HB3 ALA 15 HB3 ALA 15 35.594 18.096 -2.861
135 H ALA 16 HN ALA 16 35.408 15.998 0.620
136 HA ALA 16 HA ALA 16 33.709 14.508 1.079
137 HB1 ALA 16 HB1 ALA 16 32.325 16.726 1.215
138 HB2 ALA 16 HB2 ALA 16 31.463 15.178 1.049
139 HB3 ALA 16 HB3 ALA 16 31.682 16.230 -0.368
140 H LEU 17 HN LEU 17 35.394 14.023 -0.999
141 HA LEU 17 HA LEU 17 35.541 12.680 -2.886
142 HB2 LEU 17 HB2 LEU 17 32.554 12.163 -2.653
143 HB3 LEU 17 HB1 LEU 17 33.760 11.166 -3.483
144 HG LEU 17 HG LEU 17 34.053 11.711 -0.502
145 HD11 LEU 17 HD11 LEU 17 31.760 10.885 -0.751
146 HD12 LEU 17 HD12 LEU 17 32.791 9.599 -0.082
147 HD13 LEU 17 HD13 LEU 17 32.325 9.562 -1.798
148 HD21 LEU 17 HD21 LEU 17 34.734 9.272 -2.203
149 HD22 LEU 17 HD22 LEU 17 35.269 9.608 -0.540
150 HD23 LEU 17 HD23 LEU 17 35.879 10.594 -1.887
151 H ASP 18 HN ASP 18 34.931 15.534 -3.039
152 HA ASP 18 HA ASP 18 34.336 17.111 -4.635
153 HB2 ASP 18 HB2 ASP 18 35.981 15.750 -5.935
154 HB3 ASP 18 HB1 ASP 18 34.630 14.771 -6.558
155 H HIS 19 HN HIS 19 32.155 16.040 -3.291
156 HA HIS 19 HA HIS 19 29.857 15.747 -3.469
157 HB2 HIS 19 HB2 HIS 19 30.066 18.055 -4.334
158 HB3 HIS 19 HB1 HIS 19 30.277 17.415 -5.982
159 HD1 HIS 19 HD1 HIS 19 28.206 16.710 -7.275
160 HD2 HIS 19 HD2 HIS 19 27.409 17.560 -3.232
161 HE1 HIS 19 HE1 HIS 19 25.668 16.706 -6.982
162 H LEU 20 HN LEU 20 30.662 13.426 -4.009
163 HA LEU 20 HA LEU 20 30.387 12.515 -6.732
164 HB2 LEU 20 HB2 LEU 20 31.663 11.199 -5.162
165 HB3 LEU 20 HB1 LEU 20 30.287 11.088 -4.046
166 HG LEU 20 HG LEU 20 29.058 9.665 -5.579
167 HD11 LEU 20 HD11 LEU 20 31.269 10.414 -7.532
168 HD12 LEU 20 HD12 LEU 20 29.508 10.576 -7.736
169 HD13 LEU 20 HD13 LEU 20 30.262 8.966 -7.773
170 HD21 LEU 20 HD21 LEU 20 30.809 8.581 -4.190
171 HD22 LEU 20 HD22 LEU 20 31.990 8.820 -5.501
172 HD23 LEU 20 HD23 LEU 20 30.597 7.738 -5.742
Start of MODEL 50
1 H1 TRP 1 HT1 TRP 1 42.871 14.257 17.504
2 H2 TRP 1 HT2 TRP 1 43.219 12.606 17.714
3 H3 TRP 1 HT3 TRP 1 41.692 13.218 18.140
4 HA TRP 1 HA TRP 1 42.607 13.567 15.402
5 HB2 TRP 1 HB2 TRP 1 41.608 11.307 14.870
6 HB3 TRP 1 HB1 TRP 1 43.153 11.242 15.752
7 HD1 TRP 1 HD1 TRP 1 39.357 10.930 16.355
8 HE1 TRP 1 HE1 TRP 1 38.944 9.494 18.483
9 HE3 TRP 1 HE3 TRP 1 44.207 10.347 17.889
10 HZ2 TRP 1 HZ2 TRP 1 40.531 8.272 20.553
11 HZ3 TRP 1 HZ3 TRP 1 44.734 9.043 19.944
12 HH2 TRP 1 HH2 TRP 1 42.902 8.006 21.276
13 H LEU 2 HN LEU 2 40.961 14.265 14.145
14 HA LEU 2 HA LEU 2 38.541 15.133 15.458
15 HB2 LEU 2 HB2 LEU 2 39.688 16.241 13.473
16 HB3 LEU 2 HB1 LEU 2 39.040 14.924 12.474
17 HG LEU 2 HG LEU 2 36.709 15.588 13.536
18 HD11 LEU 2 HD11 LEU 2 37.456 17.169 15.225
19 HD12 LEU 2 HD12 LEU 2 36.608 18.089 13.966
20 HD13 LEU 2 HD13 LEU 2 38.384 18.096 14.025
21 HD21 LEU 2 HD21 LEU 2 38.133 17.390 11.524
22 HD22 LEU 2 HD22 LEU 2 36.370 17.276 11.742
23 HD23 LEU 2 HD23 LEU 2 37.287 15.869 11.151
24 H ARG 3 HN ARG 3 38.785 13.128 12.533
25 HA ARG 3 HA ARG 3 37.156 10.981 13.662
26 HB2 ARG 3 HB2 ARG 3 35.459 12.806 13.139
27 HB3 ARG 3 HB1 ARG 3 35.935 12.658 11.430
28 HG2 ARG 3 HG2 ARG 3 35.285 10.292 11.416
29 HG3 ARG 3 HG1 ARG 3 34.906 10.360 13.154
30 HD2 ARG 3 HD2 ARG 3 33.225 12.190 12.613
31 HD3 ARG 3 HD1 ARG 3 33.498 11.833 10.891
32 HE ARG 3 HE ARG 3 32.205 9.875 11.164
33 HH11 ARG 3 HH11 ARG 3 30.615 11.027 13.311
34 HH12 ARG 3 HH12 ARG 3 30.868 9.942 14.637
35 HH21 ARG 3 HH21 ARG 3 33.701 8.494 13.258
36 HH22 ARG 3 HH22 ARG 3 32.615 8.507 14.608
37 H ARG 4 HN ARG 4 39.098 12.559 11.387
38 HA ARG 4 HA ARG 4 39.986 10.075 10.205
39 HB2 ARG 4 HB2 ARG 4 37.808 10.496 8.966
40 HB3 ARG 4 HB1 ARG 4 38.529 12.000 8.344
41 HG2 ARG 4 HG2 ARG 4 40.229 10.814 7.144
42 HG3 ARG 4 HG1 ARG 4 39.886 9.293 8.001
43 HD2 ARG 4 HD2 ARG 4 38.951 9.567 5.585
44 HD3 ARG 4 HD1 ARG 4 37.847 8.959 6.842
45 HE ARG 4 HE ARG 4 37.741 11.859 6.604
46 HH11 ARG 4 HH11 ARG 4 37.302 9.832 4.078
47 HH12 ARG 4 HH12 ARG 4 35.588 10.037 3.927
48 HH21 ARG 4 HH21 ARG 4 35.257 11.714 6.945
49 HH22 ARG 4 HH22 ARG 4 34.430 11.104 5.550
50 H ILE 5 HN ILE 5 40.226 13.254 11.139
51 HA ILE 5 HA ILE 5 41.928 14.815 10.978
52 HB ILE 5 HB ILE 5 43.650 12.652 9.699
53 HG12 ILE 5 HG12 ILE 5 42.972 13.104 12.643
54 HG13 ILE 5 HG11 ILE 5 42.550 11.677 11.669
55 HG21 ILE 5 HG21 ILE 5 44.404 14.843 11.676
56 HG22 ILE 5 HG22 ILE 5 44.423 15.103 9.915
57 HG23 ILE 5 HG23 ILE 5 45.480 13.873 10.643
58 HD11 ILE 5 HD1 ILE 5 45.292 12.580 12.613
59 HD12 ILE 5 HD2 ILE 5 45.111 11.453 11.245
60 HD13 ILE 5 HD3 ILE 5 44.495 11.009 12.855
61 H GLY 6 HN GLY 6 42.218 16.460 9.615
62 HA2 GLY 6 HA1 GLY 6 42.413 17.627 7.627
63 HA3 GLY 6 HA2 GLY 6 42.994 16.131 6.869
64 H LYS 7 HN LYS 7 40.127 15.292 8.220
65 HA LYS 7 HA LYS 7 38.056 14.826 7.282
66 HB2 LYS 7 HB2 LYS 7 38.329 17.487 5.841
67 HB3 LYS 7 HB1 LYS 7 36.840 16.674 6.382
68 HG2 LYS 7 HG2 LYS 7 37.649 16.902 8.757
69 HG3 LYS 7 HG1 LYS 7 39.022 17.858 8.149
70 HD2 LYS 7 HD2 LYS 7 37.368 19.434 7.080
71 HD3 LYS 7 HD1 LYS 7 36.062 18.533 7.885
72 HE2 LYS 7 HE2 LYS 7 36.695 20.510 9.222
73 HE3 LYS 7 HE1 LYS 7 37.099 19.011 10.092
74 HZ1 LYS 7 HZ1 LYS 7 39.211 19.929 8.367
75 HZ2 LYS 7 HZ2 LYS 7 39.263 19.479 10.005
76 HZ3 LYS 7 HZ3 LYS 7 38.814 21.058 9.569
77 H GLY 8 HN GLY 8 38.892 13.072 6.033
78 HA2 GLY 8 HA1 GLY 8 38.906 11.915 4.020
79 HA3 GLY 8 HA2 GLY 8 38.332 13.382 3.205
80 H VAL 9 HN VAL 9 39.669 13.284 1.438
81 HA VAL 9 HA VAL 9 42.554 12.899 1.774
82 HB VAL 9 HB VAL 9 40.964 13.823 -0.663
83 HG11 VAL 9 HG11 VAL 9 43.837 12.893 -0.249
84 HG12 VAL 9 HG12 VAL 9 43.284 14.433 -0.947
85 HG13 VAL 9 HG13 VAL 9 43.049 12.915 -1.844
86 HG21 VAL 9 HG21 VAL 9 41.142 11.473 -1.367
87 HG22 VAL 9 HG22 VAL 9 40.323 11.572 0.210
88 HG23 VAL 9 HG23 VAL 9 42.030 11.074 0.123
89 H LYS 10 HN LYS 10 41.384 15.500 -0.313
90 HA LYS 10 HA LYS 10 42.018 17.660 1.495
91 HB2 LYS 10 HB2 LYS 10 44.321 16.616 1.027
92 HB3 LYS 10 HB1 LYS 10 44.125 17.185 -0.647
93 HG2 LYS 10 HG2 LYS 10 43.749 19.510 0.249
94 HG3 LYS 10 HG1 LYS 10 44.120 18.897 1.878
95 HD2 LYS 10 HD2 LYS 10 46.351 18.157 1.096
96 HD3 LYS 10 HD1 LYS 10 45.982 18.769 -0.535
97 HE2 LYS 10 HE2 LYS 10 47.319 20.423 0.712
98 HE3 LYS 10 HE1 LYS 10 45.683 21.055 0.408
99 HZ1 LYS 10 HZ1 LYS 10 46.913 20.889 2.837
100 HZ2 LYS 10 HZ2 LYS 10 45.863 19.553 2.847
101 HZ3 LYS 10 HZ3 LYS 10 45.251 21.115 2.578
102 H ILE 11 HN ILE 11 41.368 16.335 -1.661
103 HA ILE 11 HA ILE 11 40.321 19.026 -2.545
104 HB ILE 11 HB ILE 11 41.540 16.967 -4.426
105 HG12 ILE 11 HG12 ILE 11 42.860 19.406 -3.146
106 HG13 ILE 11 HG11 ILE 11 43.297 17.707 -2.858
107 HG21 ILE 11 HG21 ILE 11 41.466 18.737 -6.039
108 HG22 ILE 11 HG22 ILE 11 41.157 19.968 -4.790
109 HG23 ILE 11 HG23 ILE 11 39.893 18.790 -5.214
110 HD11 ILE 11 HD1 ILE 11 43.662 17.568 -5.433
111 HD12 ILE 11 HD2 ILE 11 44.877 18.441 -4.471
112 HD13 ILE 11 HD3 ILE 11 43.651 19.348 -5.388
113 H ILE 12 HN ILE 12 40.237 15.475 -2.983
114 HA ILE 12 HA ILE 12 37.543 15.664 -4.224
115 HB ILE 12 HB ILE 12 39.267 13.260 -3.510
116 HG12 ILE 12 HG12 ILE 12 38.876 14.641 -6.210
117 HG13 ILE 12 HG11 ILE 12 40.296 14.865 -5.165
118 HG21 ILE 12 HG21 ILE 12 37.789 12.097 -5.204
119 HG22 ILE 12 HG22 ILE 12 36.796 13.569 -5.287
120 HG23 ILE 12 HG23 ILE 12 36.900 12.647 -3.770
121 HD11 ILE 12 HD1 ILE 12 39.474 12.442 -6.779
122 HD12 ILE 12 HD2 ILE 12 40.392 12.185 -5.276
123 HD13 ILE 12 HD3 ILE 12 41.079 13.176 -6.582
124 H GLY 13 HN GLY 13 38.402 12.986 -2.088
125 HA2 GLY 13 HA1 GLY 13 35.976 13.171 -0.590
126 HA3 GLY 13 HA2 GLY 13 37.443 12.291 -0.095
127 H GLY 14 HN GLY 14 38.607 15.090 -0.837
128 HA2 GLY 14 HA1 GLY 14 38.756 16.081 1.934
129 HA3 GLY 14 HA2 GLY 14 39.640 16.698 0.520
130 H ALA 15 HN ALA 15 37.632 17.233 -1.316
131 HA ALA 15 HA ALA 15 36.378 19.601 0.012
132 HB1 ALA 15 HB1 ALA 15 37.385 19.738 -2.288
133 HB2 ALA 15 HB2 ALA 15 35.681 20.238 -2.213
134 HB3 ALA 15 HB3 ALA 15 36.108 18.637 -2.860
135 H ALA 16 HN ALA 16 35.703 16.856 0.771
136 HA ALA 16 HA ALA 16 33.774 15.811 1.486
137 HB1 ALA 16 HB1 ALA 16 32.004 17.677 -0.107
138 HB2 ALA 16 HB2 ALA 16 32.830 18.266 1.354
139 HB3 ALA 16 HB3 ALA 16 31.703 16.893 1.462
140 H LEU 17 HN LEU 17 35.301 15.037 -0.819
141 HA LEU 17 HA LEU 17 35.074 13.700 -2.715
142 HB2 LEU 17 HB2 LEU 17 33.648 12.545 -0.702
143 HB3 LEU 17 HB1 LEU 17 32.341 12.741 -1.889
144 HG LEU 17 HG LEU 17 35.019 11.362 -2.429
145 HD11 LEU 17 HD11 LEU 17 33.677 9.285 -2.433
146 HD12 LEU 17 HD12 LEU 17 32.223 10.218 -2.004
147 HD13 LEU 17 HD13 LEU 17 33.577 10.100 -0.855
148 HD21 LEU 17 HD21 LEU 17 33.842 10.601 -4.506
149 HD22 LEU 17 HD22 LEU 17 34.044 12.368 -4.451
150 HD23 LEU 17 HD23 LEU 17 32.463 11.639 -4.078
151 H ASP 18 HN ASP 18 34.232 16.389 -3.018
152 HA ASP 18 HA ASP 18 33.020 17.741 -4.459
153 HB2 ASP 18 HB2 ASP 18 34.189 16.381 -6.134
154 HB3 ASP 18 HB1 ASP 18 32.904 15.155 -6.062
155 H HIS 19 HN HIS 19 31.242 14.822 -5.426
156 HA HIS 19 HA HIS 19 28.697 16.013 -5.270
157 HB2 HIS 19 HB2 HIS 19 29.319 13.080 -4.761
158 HB3 HIS 19 HB1 HIS 19 27.798 13.769 -5.379
159 HD1 HIS 19 HD1 HIS 19 28.363 15.465 -7.641
160 HD2 HIS 19 HD2 HIS 19 30.881 12.192 -6.845
161 HE1 HIS 19 HE1 HIS 19 29.578 14.893 -9.815
162 H LEU 20 HN LEU 20 29.972 13.596 -2.924
163 HA LEU 20 HA LEU 20 27.953 14.098 -0.984
164 HB2 LEU 20 HB2 LEU 20 29.771 12.183 -1.217
165 HB3 LEU 20 HB1 LEU 20 30.752 13.245 -0.198
166 HG LEU 20 HG LEU 20 29.638 11.735 1.285
167 HD11 LEU 20 HD11 LEU 20 28.399 13.210 2.719
168 HD12 LEU 20 HD12 LEU 20 27.943 14.266 1.365
169 HD13 LEU 20 HD13 LEU 20 29.637 14.190 1.905
170 HD21 LEU 20 HD21 LEU 20 26.872 12.502 0.275
171 HD22 LEU 20 HD22 LEU 20 27.377 11.078 1.203
172 HD23 LEU 20 HD23 LEU 20 27.789 11.202 -0.520
Start of MODEL 51
1 H1 TRP 1 HT1 TRP 1 27.850 11.217 11.639
2 H2 TRP 1 HT2 TRP 1 27.576 10.140 12.924
3 H3 TRP 1 HT3 TRP 1 26.809 9.897 11.426
4 HA TRP 1 HA TRP 1 29.152 8.800 12.282
5 HB2 TRP 1 HB2 TRP 1 27.913 9.076 9.517
6 HB3 TRP 1 HB1 TRP 1 29.239 7.956 9.916
7 HD1 TRP 1 HD1 TRP 1 25.521 8.584 10.543
8 HE1 TRP 1 HE1 TRP 1 24.425 6.451 11.548
9 HE3 TRP 1 HE3 TRP 1 29.744 5.794 11.309
10 HZ2 TRP 1 HZ2 TRP 1 25.295 3.893 12.541
11 HZ3 TRP 1 HZ3 TRP 1 29.587 3.509 12.287
12 HH2 TRP 1 HH2 TRP 1 27.369 2.557 12.903
13 H LEU 2 HN LEU 2 31.209 8.696 11.033
14 HA LEU 2 HA LEU 2 32.361 11.370 10.885
15 HB2 LEU 2 HB2 LEU 2 33.620 8.790 9.903
16 HB3 LEU 2 HB1 LEU 2 34.434 10.247 10.518
17 HG LEU 2 HG LEU 2 32.679 8.338 12.125
18 HD11 LEU 2 HD11 LEU 2 34.782 7.827 13.308
19 HD12 LEU 2 HD12 LEU 2 35.662 8.965 12.260
20 HD13 LEU 2 HD13 LEU 2 34.950 7.487 11.570
21 HD21 LEU 2 HD21 LEU 2 32.319 10.503 13.068
22 HD22 LEU 2 HD22 LEU 2 34.011 10.992 12.803
23 HD23 LEU 2 HD23 LEU 2 33.613 9.796 14.061
24 H ARG 3 HN ARG 3 30.478 9.578 8.811
25 HA ARG 3 HA ARG 3 29.946 9.787 6.574
26 HB2 ARG 3 HB2 ARG 3 31.618 12.327 6.606
27 HB3 ARG 3 HB1 ARG 3 30.320 11.900 5.470
28 HG2 ARG 3 HG2 ARG 3 28.675 11.921 7.299
29 HG3 ARG 3 HG1 ARG 3 29.962 12.278 8.476
30 HD2 ARG 3 HD2 ARG 3 29.291 14.053 6.091
31 HD3 ARG 3 HD1 ARG 3 28.675 14.318 7.740
32 HE ARG 3 HE ARG 3 31.465 14.125 7.999
33 HH11 ARG 3 HH11 ARG 3 31.693 16.383 8.955
34 HH12 ARG 3 HH12 ARG 3 31.577 17.654 7.784
35 HH21 ARG 3 HH21 ARG 3 30.226 15.618 5.322
36 HH22 ARG 3 HH22 ARG 3 30.745 17.221 5.727
37 H ARG 4 HN ARG 4 33.166 11.358 6.434
38 HA ARG 4 HA ARG 4 33.943 9.722 4.174
39 HB2 ARG 4 HB2 ARG 4 35.358 11.684 6.001
40 HB3 ARG 4 HB1 ARG 4 36.298 10.717 4.844
41 HG2 ARG 4 HG2 ARG 4 35.658 12.919 3.888
42 HG3 ARG 4 HG1 ARG 4 34.927 11.574 2.981
43 HD2 ARG 4 HD2 ARG 4 33.438 12.958 5.239
44 HD3 ARG 4 HD1 ARG 4 33.398 13.581 3.574
45 HE ARG 4 HE ARG 4 31.978 11.243 4.534
46 HH11 ARG 4 HH11 ARG 4 32.432 13.264 1.935
47 HH12 ARG 4 HH12 ARG 4 32.125 12.079 0.712
48 HH21 ARG 4 HH21 ARG 4 32.112 9.410 2.926
49 HH22 ARG 4 HH22 ARG 4 31.944 9.896 1.272
50 H ILE 5 HN ILE 5 33.364 8.683 7.184
51 HA ILE 5 HA ILE 5 34.198 6.967 8.513
52 HB ILE 5 HB ILE 5 35.417 5.785 5.985
53 HG12 ILE 5 HG12 ILE 5 32.467 5.938 6.763
54 HG13 ILE 5 HG11 ILE 5 33.224 6.678 5.333
55 HG21 ILE 5 HG21 ILE 5 34.904 3.691 7.006
56 HG22 ILE 5 HG22 ILE 5 33.785 4.434 8.174
57 HG23 ILE 5 HG23 ILE 5 35.539 4.686 8.334
58 HD11 ILE 5 HD1 ILE 5 32.798 3.730 5.927
59 HD12 ILE 5 HD2 ILE 5 33.977 4.276 4.708
60 HD13 ILE 5 HD3 ILE 5 32.251 4.667 4.518
61 H GLY 6 HN GLY 6 35.836 9.205 8.540
62 HA2 GLY 6 HA1 GLY 6 37.961 9.829 9.199
63 HA3 GLY 6 HA2 GLY 6 38.261 8.118 9.563
64 H LYS 7 HN LYS 7 38.008 10.376 6.784
65 HA LYS 7 HA LYS 7 40.584 9.360 5.748
66 HB2 LYS 7 HB2 LYS 7 37.968 8.987 4.232
67 HB3 LYS 7 HB1 LYS 7 39.573 8.884 3.480
68 HG2 LYS 7 HG2 LYS 7 40.119 7.112 5.306
69 HG3 LYS 7 HG1 LYS 7 38.369 7.083 5.613
70 HD2 LYS 7 HD2 LYS 7 38.542 5.370 4.027
71 HD3 LYS 7 HD1 LYS 7 38.213 6.756 2.963
72 HE2 LYS 7 HE2 LYS 7 40.064 5.678 1.942
73 HE3 LYS 7 HE1 LYS 7 40.817 7.007 2.851
74 HZ1 LYS 7 HZ1 LYS 7 41.433 5.537 4.574
75 HZ2 LYS 7 HZ2 LYS 7 41.867 4.760 3.126
76 HZ3 LYS 7 HZ3 LYS 7 40.472 4.277 3.969
77 H GLY 8 HN GLY 8 38.335 10.643 3.457
78 HA2 GLY 8 HA1 GLY 8 38.341 12.663 2.327
79 HA3 GLY 8 HA2 GLY 8 38.491 13.410 3.930
80 H VAL 9 HN VAL 9 40.010 12.743 0.932
81 HA VAL 9 HA VAL 9 42.755 12.872 1.692
82 HB VAL 9 HB VAL 9 41.454 13.879 -0.879
83 HG11 VAL 9 HG11 VAL 9 43.772 13.347 -1.795
84 HG12 VAL 9 HG12 VAL 9 44.321 13.193 -0.108
85 HG13 VAL 9 HG13 VAL 9 43.702 14.752 -0.704
86 HG21 VAL 9 HG21 VAL 9 40.941 11.507 -0.378
87 HG22 VAL 9 HG22 VAL 9 42.674 11.181 -0.137
88 HG23 VAL 9 HG23 VAL 9 42.069 11.639 -1.749
89 H LYS 10 HN LYS 10 41.381 15.532 -0.229
90 HA LYS 10 HA LYS 10 41.659 17.541 1.820
91 HB2 LYS 10 HB2 LYS 10 44.093 16.933 1.405
92 HB3 LYS 10 HB1 LYS 10 43.882 17.542 -0.254
93 HG2 LYS 10 HG2 LYS 10 43.157 19.743 0.666
94 HG3 LYS 10 HG1 LYS 10 43.440 19.130 2.314
95 HD2 LYS 10 HD2 LYS 10 45.823 18.732 1.760
96 HD3 LYS 10 HD1 LYS 10 45.542 19.344 0.112
97 HE2 LYS 10 HE2 LYS 10 44.992 20.969 2.631
98 HE3 LYS 10 HE1 LYS 10 46.515 21.056 1.712
99 HZ1 LYS 10 HZ1 LYS 10 44.933 21.453 -0.279
100 HZ2 LYS 10 HZ2 LYS 10 45.270 22.737 0.781
101 HZ3 LYS 10 HZ3 LYS 10 43.801 21.892 0.906
102 H ILE 11 HN ILE 11 41.406 16.505 -1.502
103 HA ILE 11 HA ILE 11 39.987 19.087 -2.176
104 HB ILE 11 HB ILE 11 41.488 17.342 -4.175
105 HG12 ILE 11 HG12 ILE 11 42.451 19.860 -2.738
106 HG13 ILE 11 HG11 ILE 11 43.094 18.219 -2.495
107 HG21 ILE 11 HG21 ILE 11 41.196 19.196 -5.664
108 HG22 ILE 11 HG22 ILE 11 40.703 20.282 -4.342
109 HG23 ILE 11 HG23 ILE 11 39.619 18.976 -4.875
110 HD11 ILE 11 HD1 ILE 11 44.608 19.206 -4.031
111 HD12 ILE 11 HD2 ILE 11 43.304 19.988 -4.953
112 HD13 ILE 11 HD3 ILE 11 43.539 18.225 -5.061
113 H ILE 12 HN ILE 12 40.425 15.674 -3.225
114 HA ILE 12 HA ILE 12 37.754 15.591 -4.404
115 HB ILE 12 HB ILE 12 39.648 13.344 -3.637
116 HG12 ILE 12 HG12 ILE 12 40.850 14.830 -5.101
117 HG13 ILE 12 HG11 ILE 12 40.346 13.440 -6.082
118 HG21 ILE 12 HG21 ILE 12 38.349 12.294 -5.735
119 HG22 ILE 12 HG22 ILE 12 37.099 13.475 -5.279
120 HG23 ILE 12 HG23 ILE 12 37.629 12.247 -4.112
121 HD11 ILE 12 HD1 ILE 12 39.253 16.271 -6.083
122 HD12 ILE 12 HD2 ILE 12 38.258 14.922 -6.677
123 HD13 ILE 12 HD3 ILE 12 39.813 15.288 -7.454
124 H GLY 13 HN GLY 13 38.661 12.864 -2.383
125 HA2 GLY 13 HA1 GLY 13 36.182 12.695 -1.050
126 HA3 GLY 13 HA2 GLY 13 37.713 12.031 -0.439
127 H GLY 14 HN GLY 14 38.598 14.938 -0.937
128 HA2 GLY 14 HA1 GLY 14 38.313 15.831 1.844
129 HA3 GLY 14 HA2 GLY 14 39.208 16.643 0.539
130 H ALA 15 HN ALA 15 37.312 16.997 -1.445
131 HA ALA 15 HA ALA 15 35.574 19.048 -0.121
132 HB1 ALA 15 HB1 ALA 15 35.015 19.752 -2.370
133 HB2 ALA 15 HB2 ALA 15 35.783 18.307 -3.066
134 HB3 ALA 15 HB3 ALA 15 36.778 19.552 -2.267
135 H ALA 16 HN ALA 16 35.303 16.151 0.316
136 HA ALA 16 HA ALA 16 33.507 14.760 0.731
137 HB1 ALA 16 HB1 ALA 16 32.184 17.040 0.682
138 HB2 ALA 16 HB2 ALA 16 31.297 15.502 0.558
139 HB3 ALA 16 HB3 ALA 16 31.617 16.465 -0.903
140 H LEU 17 HN LEU 17 35.364 14.436 -1.408
141 HA LEU 17 HA LEU 17 35.578 13.172 -3.351
142 HB2 LEU 17 HB2 LEU 17 33.932 11.753 -1.743
143 HB3 LEU 17 HB1 LEU 17 32.792 12.030 -3.074
144 HG LEU 17 HG LEU 17 35.586 10.824 -3.391
145 HD11 LEU 17 HD11 LEU 17 34.283 8.712 -3.831
146 HD12 LEU 17 HD12 LEU 17 32.814 9.559 -3.292
147 HD13 LEU 17 HD13 LEU 17 34.157 9.291 -2.154
148 HD21 LEU 17 HD21 LEU 17 33.231 11.174 -5.304
149 HD22 LEU 17 HD22 LEU 17 34.671 10.190 -5.652
150 HD23 LEU 17 HD23 LEU 17 34.830 11.947 -5.430
151 H ASP 18 HN ASP 18 34.907 15.755 -3.819
152 HA ASP 18 HA ASP 18 33.953 17.163 -5.400
153 HB2 ASP 18 HB2 ASP 18 33.582 14.603 -7.005
154 HB3 ASP 18 HB1 ASP 18 33.680 16.264 -7.639
155 H HIS 19 HN HIS 19 32.242 15.642 -3.400
156 HA HIS 19 HA HIS 19 29.988 15.448 -2.901
157 HB2 HIS 19 HB2 HIS 19 30.060 17.876 -3.477
158 HB3 HIS 19 HB1 HIS 19 29.638 17.462 -5.156
159 HD1 HIS 19 HD1 HIS 19 28.264 16.517 -1.675
160 HD2 HIS 19 HD2 HIS 19 26.919 17.730 -5.471
161 HE1 HIS 19 HE1 HIS 19 25.712 16.599 -1.588
162 H LEU 20 HN LEU 20 30.561 13.255 -4.050
163 HA LEU 20 HA LEU 20 29.630 12.631 -6.624
164 HB2 LEU 20 HB2 LEU 20 30.851 11.102 -5.019
165 HB3 LEU 20 HB1 LEU 20 29.317 10.885 -4.152
166 HG LEU 20 HG LEU 20 28.308 10.128 -6.407
167 HD11 LEU 20 HD11 LEU 20 29.889 10.827 -8.044
168 HD12 LEU 20 HD12 LEU 20 30.152 9.077 -7.918
169 HD13 LEU 20 HD13 LEU 20 31.268 10.202 -7.112
170 HD21 LEU 20 HD21 LEU 20 28.877 8.583 -4.551
171 HD22 LEU 20 HD22 LEU 20 30.544 8.464 -5.165
172 HD23 LEU 20 HD23 LEU 20 29.190 7.834 -6.134
Start of MODEL 52
1 H1 TRP 1 HT1 TRP 1 52.640 9.874 5.341
2 H2 TRP 1 HT2 TRP 1 53.778 9.025 6.276
3 H3 TRP 1 HT3 TRP 1 53.348 10.616 6.691
4 HA TRP 1 HA TRP 1 51.041 9.044 6.534
5 HB2 TRP 1 HB2 TRP 1 51.634 7.592 8.552
6 HB3 TRP 1 HB1 TRP 1 52.353 7.098 7.000
7 HD1 TRP 1 HD1 TRP 1 53.231 8.531 10.408
8 HE1 TRP 1 HE1 TRP 1 55.813 8.570 10.716
9 HE3 TRP 1 HE3 TRP 1 54.629 7.292 5.643
10 HZ2 TRP 1 HZ2 TRP 1 58.146 8.119 9.087
11 HZ3 TRP 1 HZ3 TRP 1 57.038 7.101 5.042
12 HH2 TRP 1 HH2 TRP 1 58.797 7.513 6.758
13 H LEU 2 HN LEU 2 49.774 10.545 7.395
14 HA LEU 2 HA LEU 2 50.779 12.435 9.389
15 HB2 LEU 2 HB2 LEU 2 47.876 11.992 8.618
16 HB3 LEU 2 HB1 LEU 2 48.655 13.485 9.195
17 HG LEU 2 HG LEU 2 49.143 12.089 6.526
18 HD11 LEU 2 HD11 LEU 2 48.082 14.040 5.555
19 HD12 LEU 2 HD12 LEU 2 48.011 14.852 7.137
20 HD13 LEU 2 HD13 LEU 2 47.002 13.419 6.826
21 HD21 LEU 2 HD21 LEU 2 51.249 13.027 7.162
22 HD22 LEU 2 HD22 LEU 2 50.486 14.464 7.885
23 HD23 LEU 2 HD23 LEU 2 50.506 14.259 6.117
24 H ARG 3 HN ARG 3 47.828 10.418 9.527
25 HA ARG 3 HA ARG 3 48.639 9.362 12.194
26 HB2 ARG 3 HB2 ARG 3 46.071 10.944 11.726
27 HB3 ARG 3 HB1 ARG 3 46.496 10.061 13.213
28 HG2 ARG 3 HG2 ARG 3 48.590 11.493 13.356
29 HG3 ARG 3 HG1 ARG 3 47.937 12.465 12.016
30 HD2 ARG 3 HD2 ARG 3 46.456 11.953 14.632
31 HD3 ARG 3 HD1 ARG 3 47.428 13.406 14.300
32 HE ARG 3 HE ARG 3 45.845 13.899 12.408
33 HH11 ARG 3 HH11 ARG 3 44.131 11.914 11.705
34 HH12 ARG 3 HH12 ARG 3 42.784 11.969 12.793
35 HH21 ARG 3 HH21 ARG 3 44.448 13.860 15.177
36 HH22 ARG 3 HH22 ARG 3 42.964 13.070 14.759
37 H ARG 4 HN ARG 4 47.167 9.178 9.171
38 HA ARG 4 HA ARG 4 46.485 6.385 9.541
39 HB2 ARG 4 HB2 ARG 4 44.489 7.773 10.539
40 HB3 ARG 4 HB1 ARG 4 44.112 8.151 8.846
41 HG2 ARG 4 HG2 ARG 4 42.834 6.207 9.129
42 HG3 ARG 4 HG1 ARG 4 44.350 5.494 8.535
43 HD2 ARG 4 HD2 ARG 4 43.522 4.272 10.517
44 HD3 ARG 4 HD1 ARG 4 45.063 5.080 10.887
45 HE ARG 4 HE ARG 4 43.892 6.332 12.499
46 HH11 ARG 4 HH11 ARG 4 41.671 4.391 10.890
47 HH12 ARG 4 HH12 ARG 4 40.289 5.371 11.253
48 HH21 ARG 4 HH21 ARG 4 42.149 7.962 12.611
49 HH22 ARG 4 HH22 ARG 4 40.560 7.391 12.228
50 H ILE 5 HN ILE 5 47.724 8.783 7.866
51 HA ILE 5 HA ILE 5 48.296 9.075 5.647
52 HB ILE 5 HB ILE 5 47.067 6.350 5.052
53 HG12 ILE 5 HG12 ILE 5 49.827 7.028 6.173
54 HG13 ILE 5 HG11 ILE 5 48.539 6.149 7.029
55 HG21 ILE 5 HG21 ILE 5 49.524 7.696 3.859
56 HG22 ILE 5 HG22 ILE 5 47.892 7.933 3.194
57 HG23 ILE 5 HG23 ILE 5 48.610 6.308 3.222
58 HD11 ILE 5 HD1 ILE 5 49.947 4.428 6.198
59 HD12 ILE 5 HD2 ILE 5 50.176 5.249 4.636
60 HD13 ILE 5 HD3 ILE 5 48.613 4.487 5.021
61 H GLY 6 HN GLY 6 45.389 7.033 5.134
62 HA2 GLY 6 HA1 GLY 6 44.324 8.974 3.242
63 HA3 GLY 6 HA2 GLY 6 43.547 7.474 3.786
64 H LYS 7 HN LYS 7 44.724 10.138 5.835
65 HA LYS 7 HA LYS 7 42.362 10.230 7.413
66 HB2 LYS 7 HB2 LYS 7 44.522 11.203 8.116
67 HB3 LYS 7 HB1 LYS 7 44.365 12.457 6.863
68 HG2 LYS 7 HG2 LYS 7 42.399 13.381 7.916
69 HG3 LYS 7 HG1 LYS 7 42.281 12.004 9.037
70 HD2 LYS 7 HD2 LYS 7 44.467 12.644 10.037
71 HD3 LYS 7 HD1 LYS 7 44.547 14.043 8.939
72 HE2 LYS 7 HE2 LYS 7 42.430 14.915 9.897
73 HE3 LYS 7 HE1 LYS 7 42.363 13.525 11.006
74 HZ1 LYS 7 HZ1 LYS 7 44.356 15.722 10.931
75 HZ2 LYS 7 HZ2 LYS 7 44.652 14.264 11.754
76 HZ3 LYS 7 HZ3 LYS 7 43.351 15.256 12.215
77 H GLY 8 HN GLY 8 43.358 12.175 4.583
78 HA2 GLY 8 HA1 GLY 8 40.583 12.599 3.829
79 HA3 GLY 8 HA2 GLY 8 41.323 14.062 4.511
80 H VAL 9 HN VAL 9 40.502 12.770 1.696
81 HA VAL 9 HA VAL 9 42.878 12.819 0.114
82 HB VAL 9 HB VAL 9 40.048 13.568 -0.751
83 HG11 VAL 9 HG11 VAL 9 41.609 14.193 -2.466
84 HG12 VAL 9 HG12 VAL 9 40.948 12.619 -2.961
85 HG13 VAL 9 HG13 VAL 9 42.569 12.714 -2.233
86 HG21 VAL 9 HG21 VAL 9 41.472 10.866 -0.760
87 HG22 VAL 9 HG22 VAL 9 39.817 11.190 -1.328
88 HG23 VAL 9 HG23 VAL 9 40.210 11.346 0.401
89 H LYS 10 HN LYS 10 41.099 15.335 1.641
90 HA LYS 10 HA LYS 10 41.416 17.614 1.713
91 HB2 LYS 10 HB2 LYS 10 43.847 16.952 1.779
92 HB3 LYS 10 HB1 LYS 10 43.903 17.166 0.018
93 HG2 LYS 10 HG2 LYS 10 42.721 19.523 1.420
94 HG3 LYS 10 HG1 LYS 10 44.389 19.185 1.919
95 HD2 LYS 10 HD2 LYS 10 45.106 19.189 -0.457
96 HD3 LYS 10 HD1 LYS 10 43.437 19.542 -0.958
97 HE2 LYS 10 HE2 LYS 10 43.462 21.668 0.215
98 HE3 LYS 10 HE1 LYS 10 45.041 21.296 0.948
99 HZ1 LYS 10 HZ1 LYS 10 44.829 22.739 -1.232
100 HZ2 LYS 10 HZ2 LYS 10 44.827 21.212 -1.977
101 HZ3 LYS 10 HZ3 LYS 10 46.133 21.680 -0.995
102 H ILE 11 HN ILE 11 41.119 15.933 -1.256
103 HA ILE 11 HA ILE 11 40.269 18.481 -2.645
104 HB ILE 11 HB ILE 11 41.265 15.956 -4.014
105 HG12 ILE 11 HG12 ILE 11 42.809 18.476 -3.244
106 HG13 ILE 11 HG11 ILE 11 43.089 16.837 -2.616
107 HG21 ILE 11 HG21 ILE 11 41.176 18.829 -5.028
108 HG22 ILE 11 HG22 ILE 11 39.811 17.706 -5.229
109 HG23 ILE 11 HG23 ILE 11 41.380 17.337 -5.975
110 HD11 ILE 11 HD1 ILE 11 43.435 16.159 -5.112
111 HD12 ILE 11 HD2 ILE 11 44.729 17.080 -4.310
112 HD13 ILE 11 HD3 ILE 11 43.601 17.907 -5.410
113 H ILE 12 HN ILE 12 39.777 14.933 -2.399
114 HA ILE 12 HA ILE 12 37.087 15.239 -3.655
115 HB ILE 12 HB ILE 12 38.590 12.762 -2.728
116 HG12 ILE 12 HG12 ILE 12 38.248 13.870 -5.558
117 HG13 ILE 12 HG11 ILE 12 39.709 14.092 -4.574
118 HG21 ILE 12 HG21 ILE 12 36.922 11.685 -4.428
119 HG22 ILE 12 HG22 ILE 12 36.013 13.205 -4.293
120 HG23 ILE 12 HG23 ILE 12 36.274 12.189 -2.857
121 HD11 ILE 12 HD1 ILE 12 38.693 11.610 -5.952
122 HD12 ILE 12 HD2 ILE 12 39.515 11.383 -4.390
123 HD13 ILE 12 HD3 ILE 12 40.360 12.183 -5.733
124 H GLY 13 HN GLY 13 37.666 12.687 -1.309
125 HA2 GLY 13 HA1 GLY 13 35.347 13.289 0.229
126 HA3 GLY 13 HA2 GLY 13 36.728 12.312 0.781
127 H GLY 14 HN GLY 14 38.184 14.881 -0.224
128 HA2 GLY 14 HA1 GLY 14 38.432 16.115 2.447
129 HA3 GLY 14 HA2 GLY 14 39.389 16.478 0.996
130 H ALA 15 HN ALA 15 37.490 17.057 -0.924
131 HA ALA 15 HA ALA 15 36.484 19.666 0.143
132 HB1 ALA 15 HB1 ALA 15 36.040 20.234 -2.130
133 HB2 ALA 15 HB2 ALA 15 36.133 18.537 -2.654
134 HB3 ALA 15 HB3 ALA 15 37.606 19.395 -2.132
135 H ALA 16 HN ALA 16 35.478 17.073 1.072
136 HA ALA 16 HA ALA 16 33.414 16.313 1.783
137 HB1 ALA 16 HB1 ALA 16 31.925 18.234 -0.018
138 HB2 ALA 16 HB2 ALA 16 32.766 18.841 1.428
139 HB3 ALA 16 HB3 ALA 16 31.484 17.617 1.592
140 H LEU 17 HN LEU 17 34.886 15.109 -0.295
141 HA LEU 17 HA LEU 17 34.553 13.504 -1.947
142 HB2 LEU 17 HB2 LEU 17 32.645 12.937 -0.219
143 HB3 LEU 17 HB1 LEU 17 31.563 13.602 -1.462
144 HG LEU 17 HG LEU 17 32.908 11.969 -3.093
145 HD11 LEU 17 HD11 LEU 17 33.561 9.858 -1.908
146 HD12 LEU 17 HD12 LEU 17 33.321 10.682 -0.351
147 HD13 LEU 17 HD13 LEU 17 34.598 11.229 -1.461
148 HD21 LEU 17 HD21 LEU 17 30.839 11.042 -1.049
149 HD22 LEU 17 HD22 LEU 17 31.281 10.128 -2.512
150 HD23 LEU 17 HD23 LEU 17 30.521 11.731 -2.659
151 H ASP 18 HN ASP 18 34.403 16.383 -2.549
152 HA ASP 18 HA ASP 18 33.919 17.749 -4.356
153 HB2 ASP 18 HB2 ASP 18 35.118 15.986 -5.579
154 HB3 ASP 18 HB1 ASP 18 33.604 15.071 -5.772
155 H HIS 19 HN HIS 19 31.809 15.091 -5.445
156 HA HIS 19 HA HIS 19 29.634 16.669 -6.177
157 HB2 HIS 19 HB2 HIS 19 29.551 13.882 -4.955
158 HB3 HIS 19 HB1 HIS 19 28.248 14.639 -5.904
159 HD1 HIS 19 HD1 HIS 19 31.405 12.731 -6.218
160 HD2 HIS 19 HD2 HIS 19 29.061 15.203 -8.687
161 HE1 HIS 19 HE1 HIS 19 32.159 12.336 -8.628
162 H LEU 20 HN LEU 20 29.749 14.786 -3.109
163 HA LEU 20 HA LEU 20 27.568 16.358 -1.980
164 HB2 LEU 20 HB2 LEU 20 29.492 14.592 -0.430
165 HB3 LEU 20 HB1 LEU 20 27.791 14.967 -0.065
166 HG LEU 20 HG LEU 20 28.797 13.346 -2.449
167 HD11 LEU 20 HD11 LEU 20 27.133 12.470 -0.052
168 HD12 LEU 20 HD12 LEU 20 28.897 12.263 -0.153
169 HD13 LEU 20 HD13 LEU 20 27.837 11.437 -1.318
170 HD21 LEU 20 HD21 LEU 20 26.029 14.274 -1.574
171 HD22 LEU 20 HD22 LEU 20 26.259 12.865 -2.637
172 HD23 LEU 20 HD23 LEU 20 26.808 14.472 -3.162
Start of MODEL 53
1 H1 TRP 1 HT1 TRP 1 35.158 7.981 14.047
2 H2 TRP 1 HT2 TRP 1 33.940 8.924 14.764
3 H3 TRP 1 HT3 TRP 1 35.090 8.133 15.734
4 HA TRP 1 HA TRP 1 35.762 10.327 15.713
5 HB2 TRP 1 HB2 TRP 1 37.251 8.609 13.695
6 HB3 TRP 1 HB1 TRP 1 37.824 10.241 14.127
7 HD1 TRP 1 HD1 TRP 1 38.033 10.602 16.934
8 HE1 TRP 1 HE1 TRP 1 39.080 8.985 18.681
9 HE3 TRP 1 HE3 TRP 1 37.779 6.244 14.257
10 HZ2 TRP 1 HZ2 TRP 1 39.710 6.181 18.860
11 HZ3 TRP 1 HZ3 TRP 1 38.609 4.111 15.237
12 HH2 TRP 1 HH2 TRP 1 39.573 4.076 17.533
13 H LEU 2 HN LEU 2 36.202 12.297 14.634
14 HA LEU 2 HA LEU 2 35.064 12.553 11.874
15 HB2 LEU 2 HB2 LEU 2 34.414 14.397 14.189
16 HB3 LEU 2 HB1 LEU 2 33.919 14.599 12.491
17 HG LEU 2 HG LEU 2 33.179 12.156 14.164
18 HD11 LEU 2 HD11 LEU 2 32.253 14.218 15.190
19 HD12 LEU 2 HD12 LEU 2 30.970 13.212 14.474
20 HD13 LEU 2 HD13 LEU 2 31.538 14.669 13.623
21 HD21 LEU 2 HD21 LEU 2 32.921 11.645 11.843
22 HD22 LEU 2 HD22 LEU 2 32.308 13.270 11.463
23 HD23 LEU 2 HD23 LEU 2 31.294 12.124 12.367
24 H ARG 3 HN ARG 3 37.558 13.010 14.024
25 HA ARG 3 HA ARG 3 38.567 15.578 13.600
26 HB2 ARG 3 HB2 ARG 3 39.644 13.656 14.903
27 HB3 ARG 3 HB1 ARG 3 40.286 13.079 13.347
28 HG2 ARG 3 HG2 ARG 3 41.393 15.274 12.994
29 HG3 ARG 3 HG1 ARG 3 40.766 15.837 14.562
30 HD2 ARG 3 HD2 ARG 3 42.016 14.091 15.736
31 HD3 ARG 3 HD1 ARG 3 42.567 13.404 14.190
32 HE ARG 3 HE ARG 3 43.770 15.644 15.540
33 HH11 ARG 3 HH11 ARG 3 44.099 13.710 12.895
34 HH12 ARG 3 HH12 ARG 3 44.742 14.919 11.834
35 HH21 ARG 3 HH21 ARG 3 44.051 17.552 13.980
36 HH22 ARG 3 HH22 ARG 3 44.713 17.093 12.448
37 H ARG 4 HN ARG 4 37.911 13.121 11.318
38 HA ARG 4 HA ARG 4 39.147 14.761 9.125
39 HB2 ARG 4 HB2 ARG 4 39.128 11.729 9.425
40 HB3 ARG 4 HB1 ARG 4 39.574 12.594 7.935
41 HG2 ARG 4 HG2 ARG 4 41.404 13.736 9.102
42 HG3 ARG 4 HG1 ARG 4 40.931 12.975 10.639
43 HD2 ARG 4 HD2 ARG 4 42.776 11.696 9.721
44 HD3 ARG 4 HD1 ARG 4 41.298 10.721 9.543
45 HE ARG 4 HE ARG 4 41.507 12.140 7.147
46 HH11 ARG 4 HH11 ARG 4 41.604 9.272 6.924
47 HH12 ARG 4 HH12 ARG 4 43.240 8.931 6.467
48 HH21 ARG 4 HH21 ARG 4 44.440 12.033 7.451
49 HH22 ARG 4 HH22 ARG 4 44.846 10.496 6.765
50 H ILE 5 HN ILE 5 36.361 13.454 10.582
51 HA ILE 5 HA ILE 5 34.190 13.214 9.795
52 HB ILE 5 HB ILE 5 35.039 14.788 7.329
53 HG12 ILE 5 HG12 ILE 5 34.348 15.788 10.130
54 HG13 ILE 5 HG11 ILE 5 35.915 15.956 9.304
55 HG21 ILE 5 HG21 ILE 5 32.434 14.864 8.905
56 HG22 ILE 5 HG22 ILE 5 32.705 13.723 7.567
57 HG23 ILE 5 HG23 ILE 5 32.744 15.474 7.262
58 HD11 ILE 5 HD1 ILE 5 34.578 17.191 7.441
59 HD12 ILE 5 HD2 ILE 5 34.860 18.056 8.969
60 HD13 ILE 5 HD3 ILE 5 33.277 17.311 8.650
61 H GLY 6 HN GLY 6 35.313 10.939 9.484
62 HA2 GLY 6 HA1 GLY 6 35.194 8.978 8.260
63 HA3 GLY 6 HA2 GLY 6 34.133 9.822 7.114
64 H LYS 7 HN LYS 7 37.550 10.265 8.110
65 HA LYS 7 HA LYS 7 39.471 10.435 6.829
66 HB2 LYS 7 HB2 LYS 7 38.013 8.623 4.865
67 HB3 LYS 7 HB1 LYS 7 39.771 8.845 5.025
68 HG2 LYS 7 HG2 LYS 7 39.585 8.012 7.407
69 HG3 LYS 7 HG1 LYS 7 37.880 7.618 7.075
70 HD2 LYS 7 HD2 LYS 7 38.620 6.171 5.172
71 HD3 LYS 7 HD1 LYS 7 40.313 6.507 5.608
72 HE2 LYS 7 HE2 LYS 7 39.507 4.349 6.570
73 HE3 LYS 7 HE1 LYS 7 39.965 5.516 7.833
74 HZ1 LYS 7 HZ1 LYS 7 37.759 5.951 8.338
75 HZ2 LYS 7 HZ2 LYS 7 37.741 4.278 8.046
76 HZ3 LYS 7 HZ3 LYS 7 37.177 5.355 6.860
77 H GLY 8 HN GLY 8 40.418 11.355 4.887
78 HA2 GLY 8 HA1 GLY 8 38.804 12.403 2.763
79 HA3 GLY 8 HA2 GLY 8 39.038 13.655 3.998
80 H VAL 9 HN VAL 9 40.105 12.808 1.111
81 HA VAL 9 HA VAL 9 42.960 12.652 1.430
82 HB VAL 9 HB VAL 9 41.308 13.664 -0.930
83 HG11 VAL 9 HG11 VAL 9 44.244 12.911 -0.618
84 HG12 VAL 9 HG12 VAL 9 43.571 14.455 -1.195
85 HG13 VAL 9 HG13 VAL 9 43.430 12.993 -2.198
86 HG21 VAL 9 HG21 VAL 9 40.849 11.311 -0.201
87 HG22 VAL 9 HG22 VAL 9 42.582 10.947 -0.374
88 HG23 VAL 9 HG23 VAL 9 41.620 11.390 -1.803
89 H LYS 10 HN LYS 10 41.544 15.351 -0.383
90 HA LYS 10 HA LYS 10 42.247 17.400 1.522
91 HB2 LYS 10 HB2 LYS 10 44.550 16.607 0.866
92 HB3 LYS 10 HB1 LYS 10 44.181 17.089 -0.807
93 HG2 LYS 10 HG2 LYS 10 43.800 19.408 -0.084
94 HG3 LYS 10 HG1 LYS 10 44.085 18.947 1.611
95 HD2 LYS 10 HD2 LYS 10 46.391 18.264 1.053
96 HD3 LYS 10 HD1 LYS 10 46.112 18.685 -0.653
97 HE2 LYS 10 HE2 LYS 10 46.055 20.588 1.728
98 HE3 LYS 10 HE1 LYS 10 47.272 20.541 0.430
99 HZ1 LYS 10 HZ1 LYS 10 44.422 21.342 0.257
100 HZ2 LYS 10 HZ2 LYS 10 45.314 20.915 -1.124
101 HZ3 LYS 10 HZ3 LYS 10 45.799 22.235 -0.171
102 H ILE 11 HN ILE 11 41.441 16.272 -1.675
103 HA ILE 11 HA ILE 11 40.209 18.961 -2.296
104 HB ILE 11 HB ILE 11 41.206 16.971 -4.371
105 HG12 ILE 11 HG12 ILE 11 42.645 19.362 -3.132
106 HG13 ILE 11 HG11 ILE 11 43.142 17.657 -3.034
107 HG21 ILE 11 HG21 ILE 11 40.752 19.977 -4.587
108 HG22 ILE 11 HG22 ILE 11 39.463 18.792 -4.905
109 HG23 ILE 11 HG23 ILE 11 40.932 18.796 -5.906
110 HD11 ILE 11 HD1 ILE 11 43.146 19.494 -5.454
111 HD12 ILE 11 HD2 ILE 11 43.175 17.723 -5.640
112 HD13 ILE 11 HD3 ILE 11 44.491 18.550 -4.773
113 H ILE 12 HN ILE 12 40.116 15.454 -3.081
114 HA ILE 12 HA ILE 12 37.348 15.609 -3.986
115 HB ILE 12 HB ILE 12 39.035 13.232 -3.142
116 HG12 ILE 12 HG12 ILE 12 40.186 14.419 -4.915
117 HG13 ILE 12 HG11 ILE 12 39.467 12.957 -5.619
118 HG21 ILE 12 HG21 ILE 12 36.317 13.499 -4.459
119 HG22 ILE 12 HG22 ILE 12 36.887 12.313 -3.266
120 HG23 ILE 12 HG23 ILE 12 37.362 12.152 -4.970
121 HD11 ILE 12 HD1 ILE 12 38.910 14.622 -7.195
122 HD12 ILE 12 HD2 ILE 12 38.614 15.850 -5.946
123 HD13 ILE 12 HD3 ILE 12 37.439 14.539 -6.202
124 H GLY 13 HN GLY 13 38.139 13.017 -1.748
125 HA2 GLY 13 HA1 GLY 13 35.808 13.312 -0.181
126 HA3 GLY 13 HA2 GLY 13 37.303 12.517 0.355
127 H GLY 14 HN GLY 14 38.460 15.230 -0.572
128 HA2 GLY 14 HA1 GLY 14 38.590 16.429 2.109
129 HA3 GLY 14 HA2 GLY 14 39.429 16.981 0.642
130 H ALA 15 HN ALA 15 37.377 17.352 -1.177
131 HA ALA 15 HA ALA 15 36.045 19.741 0.042
132 HB1 ALA 15 HB1 ALA 15 35.866 18.668 -2.800
133 HB2 ALA 15 HB2 ALA 15 37.072 19.858 -2.244
134 HB3 ALA 15 HB3 ALA 15 35.341 20.264 -2.217
135 H ALA 16 HN ALA 16 35.476 16.988 0.863
136 HA ALA 16 HA ALA 16 33.579 15.897 1.603
137 HB1 ALA 16 HB1 ALA 16 32.538 18.306 1.381
138 HB2 ALA 16 HB2 ALA 16 31.466 16.893 1.523
139 HB3 ALA 16 HB3 ALA 16 31.751 17.635 -0.067
140 H LEU 17 HN LEU 17 35.157 15.108 -0.659
141 HA LEU 17 HA LEU 17 35.011 13.641 -2.463
142 HB2 LEU 17 HB2 LEU 17 33.508 12.574 -0.481
143 HB3 LEU 17 HB1 LEU 17 32.224 12.773 -1.688
144 HG LEU 17 HG LEU 17 34.869 11.315 -2.177
145 HD11 LEU 17 HD11 LEU 17 33.576 9.262 -2.013
146 HD12 LEU 17 HD12 LEU 17 32.068 10.180 -1.784
147 HD13 LEU 17 HD13 LEU 17 33.325 10.202 -0.524
148 HD21 LEU 17 HD21 LEU 17 32.308 11.596 -3.816
149 HD22 LEU 17 HD22 LEU 17 33.637 10.481 -4.205
150 HD23 LEU 17 HD23 LEU 17 33.914 12.237 -4.239
151 H ASP 18 HN ASP 18 34.398 16.231 -3.117
152 HA ASP 18 HA ASP 18 33.352 17.506 -4.744
153 HB2 ASP 18 HB2 ASP 18 32.761 14.769 -5.941
154 HB3 ASP 18 HB1 ASP 18 32.630 16.325 -6.797
155 H HIS 19 HN HIS 19 31.147 14.727 -5.084
156 HA HIS 19 HA HIS 19 29.028 16.066 -3.532
157 HB2 HIS 19 HB2 HIS 19 27.463 16.237 -5.428
158 HB3 HIS 19 HB1 HIS 19 28.894 17.261 -5.695
159 HD1 HIS 19 HD1 HIS 19 30.862 14.919 -6.535
160 HD2 HIS 19 HD2 HIS 19 27.000 15.493 -8.092
161 HE1 HIS 19 HE1 HIS 19 30.798 13.816 -8.839
162 H LEU 20 HN LEU 20 30.313 13.642 -3.121
163 HA LEU 20 HA LEU 20 29.881 11.386 -2.833
164 HB2 LEU 20 HB2 LEU 20 27.763 12.646 -1.859
165 HB3 LEU 20 HB1 LEU 20 26.924 11.921 -3.247
166 HG LEU 20 HG LEU 20 28.490 10.431 -1.089
167 HD11 LEU 20 HD11 LEU 20 25.523 10.436 -1.803
168 HD12 LEU 20 HD12 LEU 20 26.245 11.305 -0.426
169 HD13 LEU 20 HD13 LEU 20 26.290 9.527 -0.479
170 HD21 LEU 20 HD21 LEU 20 27.414 8.404 -2.316
171 HD22 LEU 20 HD22 LEU 20 28.818 9.172 -3.088
172 HD23 LEU 20 HD23 LEU 20 27.175 9.521 -3.682
Start of MODEL 54
1 H1 TRP 1 HT1 TRP 1 25.497 10.477 7.110
2 H2 TRP 1 HT2 TRP 1 26.131 9.908 5.640
3 H3 TRP 1 HT3 TRP 1 25.623 11.523 5.783
4 HA TRP 1 HA TRP 1 27.822 11.821 5.994
5 HB2 TRP 1 HB2 TRP 1 26.919 11.078 8.806
6 HB3 TRP 1 HB1 TRP 1 28.356 12.046 8.402
7 HD1 TRP 1 HD1 TRP 1 24.559 12.142 7.578
8 HE1 TRP 1 HE1 TRP 1 23.758 14.616 7.608
9 HE3 TRP 1 HE3 TRP 1 29.024 14.425 8.603
10 HZ2 TRP 1 HZ2 TRP 1 24.926 17.214 8.026
11 HZ3 TRP 1 HZ3 TRP 1 29.159 16.902 8.813
12 HH2 TRP 1 HH2 TRP 1 27.115 18.298 8.526
13 H LEU 2 HN LEU 2 29.948 11.071 6.473
14 HA LEU 2 HA LEU 2 30.239 8.211 6.042
15 HB2 LEU 2 HB2 LEU 2 32.427 10.136 6.893
16 HB3 LEU 2 HB1 LEU 2 32.582 8.644 5.937
17 HG LEU 2 HG LEU 2 31.141 11.188 5.057
18 HD11 LEU 2 HD11 LEU 2 32.992 11.453 3.499
19 HD12 LEU 2 HD12 LEU 2 33.704 9.906 4.016
20 HD13 LEU 2 HD13 LEU 2 33.660 11.286 5.140
21 HD21 LEU 2 HD21 LEU 2 30.013 9.361 4.006
22 HD22 LEU 2 HD22 LEU 2 31.525 8.449 3.777
23 HD23 LEU 2 HD23 LEU 2 31.202 9.903 2.800
24 H ARG 3 HN ARG 3 29.566 10.032 8.757
25 HA ARG 3 HA ARG 3 29.440 9.480 10.991
26 HB2 ARG 3 HB2 ARG 3 30.567 6.731 10.359
27 HB3 ARG 3 HB1 ARG 3 29.550 7.222 11.730
28 HG2 ARG 3 HG2 ARG 3 27.759 7.860 9.988
29 HG3 ARG 3 HG1 ARG 3 28.748 6.973 8.804
30 HD2 ARG 3 HD2 ARG 3 27.337 5.906 11.267
31 HD3 ARG 3 HD1 ARG 3 27.217 5.342 9.583
32 HE ARG 3 HE ARG 3 29.175 4.459 11.508
33 HH11 ARG 3 HH11 ARG 3 28.239 4.553 8.247
34 HH12 ARG 3 HH12 ARG 3 29.721 3.896 7.638
35 HH21 ARG 3 HH21 ARG 3 31.316 3.944 10.716
36 HH22 ARG 3 HH22 ARG 3 31.462 3.550 9.036
37 H ARG 4 HN ARG 4 32.431 8.676 9.271
38 HA ARG 4 HA ARG 4 34.051 8.759 11.717
39 HB2 ARG 4 HB2 ARG 4 34.771 8.749 8.760
40 HB3 ARG 4 HB1 ARG 4 35.958 8.689 10.086
41 HG2 ARG 4 HG2 ARG 4 34.812 6.632 10.959
42 HG3 ARG 4 HG1 ARG 4 33.744 6.665 9.535
43 HD2 ARG 4 HD2 ARG 4 35.641 6.397 8.032
44 HD3 ARG 4 HD1 ARG 4 36.787 6.551 9.387
45 HE ARG 4 HE ARG 4 36.410 4.270 9.832
46 HH11 ARG 4 HH11 ARG 4 35.332 3.960 7.023
47 HH12 ARG 4 HH12 ARG 4 33.802 3.204 7.320
48 HH21 ARG 4 HH21 ARG 4 33.757 4.013 10.692
49 HH22 ARG 4 HH22 ARG 4 32.911 3.234 9.396
50 H ILE 5 HN ILE 5 32.994 10.959 9.181
51 HA ILE 5 HA ILE 5 33.386 13.224 8.862
52 HB ILE 5 HB ILE 5 33.882 13.364 11.866
53 HG12 ILE 5 HG12 ILE 5 31.226 13.170 10.367
54 HG13 ILE 5 HG11 ILE 5 31.903 11.933 11.450
55 HG21 ILE 5 HG21 ILE 5 32.372 15.277 10.039
56 HG22 ILE 5 HG22 ILE 5 34.127 15.405 10.310
57 HG23 ILE 5 HG23 ILE 5 33.002 15.583 11.674
58 HD11 ILE 5 HD1 ILE 5 31.957 13.814 13.249
59 HD12 ILE 5 HD2 ILE 5 30.373 13.124 12.821
60 HD13 ILE 5 HD3 ILE 5 30.865 14.697 12.155
61 H GLY 6 HN GLY 6 35.520 12.100 7.966
62 HA2 GLY 6 HA1 GLY 6 37.615 13.952 8.367
63 HA3 GLY 6 HA2 GLY 6 37.961 12.552 9.401
64 H LYS 7 HN LYS 7 36.785 10.563 7.693
65 HA LYS 7 HA LYS 7 39.003 9.821 6.139
66 HB2 LYS 7 HB2 LYS 7 37.055 8.358 6.776
67 HB3 LYS 7 HB1 LYS 7 36.101 9.159 5.504
68 HG2 LYS 7 HG2 LYS 7 37.727 8.439 3.797
69 HG3 LYS 7 HG1 LYS 7 38.732 7.681 5.055
70 HD2 LYS 7 HD2 LYS 7 36.914 6.131 5.621
71 HD3 LYS 7 HD1 LYS 7 35.842 6.924 4.440
72 HE2 LYS 7 HE2 LYS 7 36.752 4.933 3.392
73 HE3 LYS 7 HE1 LYS 7 37.531 6.347 2.642
74 HZ1 LYS 7 HZ1 LYS 7 38.959 4.357 3.467
75 HZ2 LYS 7 HZ2 LYS 7 38.774 5.078 4.995
76 HZ3 LYS 7 HZ3 LYS 7 39.500 5.943 3.726
77 H GLY 8 HN GLY 8 39.934 11.218 4.734
78 HA2 GLY 8 HA1 GLY 8 38.611 11.643 2.203
79 HA3 GLY 8 HA2 GLY 8 38.661 13.142 3.149
80 H VAL 9 HN VAL 9 39.993 14.119 1.578
81 HA VAL 9 HA VAL 9 42.875 13.383 1.908
82 HB VAL 9 HB VAL 9 41.520 13.824 -0.796
83 HG11 VAL 9 HG11 VAL 9 43.695 14.859 -0.854
84 HG12 VAL 9 HG12 VAL 9 43.882 13.262 -1.618
85 HG13 VAL 9 HG13 VAL 9 44.429 13.518 0.057
86 HG21 VAL 9 HG21 VAL 9 41.151 11.563 0.095
87 HG22 VAL 9 HG22 VAL 9 42.884 11.403 0.469
88 HG23 VAL 9 HG23 VAL 9 42.344 11.497 -1.224
89 H LYS 10 HN LYS 10 41.412 15.592 -0.473
90 HA LYS 10 HA LYS 10 41.647 17.942 1.196
91 HB2 LYS 10 HB2 LYS 10 44.085 17.314 0.816
92 HB3 LYS 10 HB1 LYS 10 43.820 17.657 -0.909
93 HG2 LYS 10 HG2 LYS 10 43.081 19.961 -0.326
94 HG3 LYS 10 HG1 LYS 10 43.395 19.615 1.391
95 HD2 LYS 10 HD2 LYS 10 45.758 19.297 0.969
96 HD3 LYS 10 HD1 LYS 10 45.504 19.370 -0.791
97 HE2 LYS 10 HE2 LYS 10 44.849 21.705 -0.667
98 HE3 LYS 10 HE1 LYS 10 44.853 21.660 1.112
99 HZ1 LYS 10 HZ1 LYS 10 47.112 21.703 -0.764
100 HZ2 LYS 10 HZ2 LYS 10 47.308 20.866 0.701
101 HZ3 LYS 10 HZ3 LYS 10 46.913 22.518 0.709
102 H ILE 11 HN ILE 11 41.270 16.348 -1.889
103 HA ILE 11 HA ILE 11 40.020 18.848 -3.037
104 HB ILE 11 HB ILE 11 40.996 16.425 -4.596
105 HG12 ILE 11 HG12 ILE 11 42.883 18.323 -5.175
106 HG13 ILE 11 HG11 ILE 11 42.525 18.804 -3.502
107 HG21 ILE 11 HG21 ILE 11 39.338 17.876 -5.705
108 HG22 ILE 11 HG22 ILE 11 40.929 18.052 -6.481
109 HG23 ILE 11 HG23 ILE 11 40.339 19.307 -5.365
110 HD11 ILE 11 HD1 ILE 11 43.635 16.174 -4.536
111 HD12 ILE 11 HD2 ILE 11 42.840 16.257 -2.950
112 HD13 ILE 11 HD3 ILE 11 44.287 17.240 -3.271
113 H ILE 12 HN ILE 12 39.767 15.268 -2.941
114 HA ILE 12 HA ILE 12 36.940 15.458 -3.875
115 HB ILE 12 HB ILE 12 38.725 13.072 -3.267
116 HG12 ILE 12 HG12 ILE 12 37.888 13.925 -6.071
117 HG13 ILE 12 HG11 ILE 12 39.255 14.746 -5.287
118 HG21 ILE 12 HG21 ILE 12 36.575 12.133 -3.165
119 HG22 ILE 12 HG22 ILE 12 36.848 12.024 -4.913
120 HG23 ILE 12 HG23 ILE 12 35.869 13.351 -4.252
121 HD11 ILE 12 HD1 ILE 12 39.107 11.713 -5.435
122 HD12 ILE 12 HD2 ILE 12 40.523 12.742 -5.125
123 HD13 ILE 12 HD3 ILE 12 39.802 12.686 -6.750
124 H GLY 13 HN GLY 13 37.914 12.814 -1.792
125 HA2 GLY 13 HA1 GLY 13 35.749 13.099 0.009
126 HA3 GLY 13 HA2 GLY 13 37.269 12.251 0.362
127 H GLY 14 HN GLY 14 38.415 14.960 -0.571
128 HA2 GLY 14 HA1 GLY 14 38.770 16.083 2.132
129 HA3 GLY 14 HA2 GLY 14 39.555 16.618 0.631
130 H ALA 15 HN ALA 15 37.500 17.151 -1.093
131 HA ALA 15 HA ALA 15 36.337 19.570 0.223
132 HB1 ALA 15 HB1 ALA 15 35.659 20.228 -1.966
133 HB2 ALA 15 HB2 ALA 15 35.855 18.581 -2.607
134 HB3 ALA 15 HB3 ALA 15 37.286 19.537 -2.147
135 H ALA 16 HN ALA 16 35.656 16.780 0.979
136 HA ALA 16 HA ALA 16 33.736 15.794 1.806
137 HB1 ALA 16 HB1 ALA 16 31.691 16.918 1.885
138 HB2 ALA 16 HB2 ALA 16 31.919 17.677 0.291
139 HB3 ALA 16 HB3 ALA 16 32.831 18.271 1.699
140 H LEU 17 HN LEU 17 35.116 14.828 -0.399
141 HA LEU 17 HA LEU 17 34.807 13.304 -2.128
142 HB2 LEU 17 HB2 LEU 17 33.028 12.486 -0.388
143 HB3 LEU 17 HB1 LEU 17 31.841 13.209 -1.493
144 HG LEU 17 HG LEU 17 33.158 11.802 -3.352
145 HD11 LEU 17 HD11 LEU 17 33.752 10.268 -0.777
146 HD12 LEU 17 HD12 LEU 17 34.955 10.988 -1.871
147 HD13 LEU 17 HD13 LEU 17 33.956 9.624 -2.421
148 HD21 LEU 17 HD21 LEU 17 30.793 11.452 -2.768
149 HD22 LEU 17 HD22 LEU 17 31.267 10.542 -1.312
150 HD23 LEU 17 HD23 LEU 17 31.617 9.883 -2.927
151 H ASP 18 HN ASP 18 34.514 16.183 -2.550
152 HA ASP 18 HA ASP 18 33.916 17.632 -4.251
153 HB2 ASP 18 HB2 ASP 18 35.035 15.868 -5.613
154 HB3 ASP 18 HB1 ASP 18 33.458 15.080 -5.847
155 H HIS 19 HN HIS 19 31.747 14.983 -5.278
156 HA HIS 19 HA HIS 19 29.519 16.662 -5.710
157 HB2 HIS 19 HB2 HIS 19 29.547 13.722 -4.918
158 HB3 HIS 19 HB1 HIS 19 28.184 14.586 -5.672
159 HD1 HIS 19 HD1 HIS 19 30.677 12.322 -6.638
160 HD2 HIS 19 HD2 HIS 19 29.576 16.089 -8.146
161 HE1 HIS 19 HE1 HIS 19 31.485 12.439 -9.060
162 H LEU 20 HN LEU 20 29.953 14.389 -2.943
163 HA LEU 20 HA LEU 20 29.081 16.395 -1.035
164 HB2 LEU 20 HB2 LEU 20 26.927 15.580 -0.443
165 HB3 LEU 20 HB1 LEU 20 26.909 15.726 -2.212
166 HG LEU 20 HG LEU 20 27.234 13.174 -0.570
167 HD11 LEU 20 HD11 LEU 20 24.930 14.113 -0.911
168 HD12 LEU 20 HD12 LEU 20 25.162 12.525 -1.682
169 HD13 LEU 20 HD13 LEU 20 25.188 14.008 -2.669
170 HD21 LEU 20 HD21 LEU 20 27.240 12.096 -2.915
171 HD22 LEU 20 HD22 LEU 20 28.743 12.905 -2.420
172 HD23 LEU 20 HD23 LEU 20 27.625 13.715 -3.542
Start of MODEL 55
1 H1 TRP 1 HT1 TRP 1 42.679 18.034 11.318
2 H2 TRP 1 HT2 TRP 1 43.102 16.892 10.134
3 H3 TRP 1 HT3 TRP 1 43.870 16.875 11.650
4 HA TRP 1 HA TRP 1 41.631 16.484 12.646
5 HB2 TRP 1 HB2 TRP 1 41.000 15.638 9.795
6 HB3 TRP 1 HB1 TRP 1 39.911 15.621 11.204
7 HD1 TRP 1 HD1 TRP 1 39.819 18.264 12.410
8 HE1 TRP 1 HE1 TRP 1 39.288 20.492 11.175
9 HE3 TRP 1 HE3 TRP 1 40.973 16.833 7.632
10 HZ2 TRP 1 HZ2 TRP 1 39.366 21.483 8.474
11 HZ3 TRP 1 HZ3 TRP 1 40.738 18.436 5.742
12 HH2 TRP 1 HH2 TRP 1 39.935 20.758 6.157
13 H LEU 2 HN LEU 2 40.656 14.055 12.316
14 HA LEU 2 HA LEU 2 43.023 12.340 12.714
15 HB2 LEU 2 HB2 LEU 2 40.110 11.485 12.711
16 HB3 LEU 2 HB1 LEU 2 41.483 10.737 13.563
17 HG LEU 2 HG LEU 2 40.256 13.471 14.139
18 HD11 LEU 2 HD11 LEU 2 39.539 12.468 16.229
19 HD12 LEU 2 HD12 LEU 2 40.433 10.970 15.873
20 HD13 LEU 2 HD13 LEU 2 39.004 11.406 14.905
21 HD21 LEU 2 HD21 LEU 2 41.882 13.307 16.156
22 HD22 LEU 2 HD22 LEU 2 42.594 13.709 14.578
23 HD23 LEU 2 HD23 LEU 2 42.727 12.053 15.218
24 H ARG 3 HN ARG 3 41.240 13.352 10.082
25 HA ARG 3 HA ARG 3 41.096 12.648 7.894
26 HB2 ARG 3 HB2 ARG 3 43.401 10.886 8.797
27 HB3 ARG 3 HB1 ARG 3 42.773 10.836 7.140
28 HG2 ARG 3 HG2 ARG 3 44.663 12.392 7.263
29 HG3 ARG 3 HG1 ARG 3 43.166 13.293 6.938
30 HD2 ARG 3 HD2 ARG 3 43.058 14.148 9.145
31 HD3 ARG 3 HD1 ARG 3 44.168 12.909 9.782
32 HE ARG 3 HE ARG 3 44.941 15.410 8.466
33 HH11 ARG 3 HH11 ARG 3 46.457 13.586 6.817
34 HH12 ARG 3 HH12 ARG 3 47.867 13.233 7.760
35 HH21 ARG 3 HH21 ARG 3 46.479 14.348 10.735
36 HH22 ARG 3 HH22 ARG 3 47.879 13.664 9.978
37 H ARG 4 HN ARG 4 40.602 10.397 10.477
38 HA ARG 4 HA ARG 4 39.228 8.461 8.649
39 HB2 ARG 4 HB2 ARG 4 40.011 8.315 11.588
40 HB3 ARG 4 HB1 ARG 4 39.110 7.050 10.717
41 HG2 ARG 4 HG2 ARG 4 40.976 6.829 9.102
42 HG3 ARG 4 HG1 ARG 4 41.880 8.091 9.975
43 HD2 ARG 4 HD2 ARG 4 41.892 6.699 12.012
44 HD3 ARG 4 HD1 ARG 4 40.946 5.445 11.174
45 HE ARG 4 HE ARG 4 43.246 5.891 9.599
46 HH11 ARG 4 HH11 ARG 4 45.155 6.104 11.515
47 HH12 ARG 4 HH12 ARG 4 45.341 4.549 12.254
48 HH21 ARG 4 HH21 ARG 4 42.304 3.339 11.098
49 HH22 ARG 4 HH22 ARG 4 43.728 2.984 12.019
50 H ILE 5 HN ILE 5 38.640 11.172 10.611
51 HA ILE 5 HA ILE 5 36.234 10.583 11.930
52 HB ILE 5 HB ILE 5 37.447 12.768 12.070
53 HG12 ILE 5 HG12 ILE 5 34.527 13.044 11.211
54 HG13 ILE 5 HG11 ILE 5 35.057 12.479 12.812
55 HG21 ILE 5 HG21 ILE 5 36.055 13.455 9.451
56 HG22 ILE 5 HG22 ILE 5 37.746 12.903 9.521
57 HG23 ILE 5 HG23 ILE 5 37.268 14.412 10.333
58 HD11 ILE 5 HD1 ILE 5 35.426 15.225 11.567
59 HD12 ILE 5 HD2 ILE 5 36.401 14.690 12.956
60 HD13 ILE 5 HD3 ILE 5 34.632 14.803 13.100
61 H GLY 6 HN GLY 6 36.863 10.940 8.499
62 HA2 GLY 6 HA1 GLY 6 34.324 9.785 7.815
63 HA3 GLY 6 HA2 GLY 6 34.274 11.541 7.559
64 H LYS 7 HN LYS 7 37.362 10.043 7.238
65 HA LYS 7 HA LYS 7 38.732 9.771 5.391
66 HB2 LYS 7 HB2 LYS 7 36.138 8.952 4.021
67 HB3 LYS 7 HB1 LYS 7 37.786 8.607 3.445
68 HG2 LYS 7 HG2 LYS 7 38.252 7.179 5.314
69 HG3 LYS 7 HG1 LYS 7 36.808 7.734 6.191
70 HD2 LYS 7 HD2 LYS 7 36.486 5.479 5.165
71 HD3 LYS 7 HD1 LYS 7 35.341 6.685 4.532
72 HE2 LYS 7 HE2 LYS 7 36.533 5.136 2.817
73 HE3 LYS 7 HE1 LYS 7 36.502 6.880 2.470
74 HZ1 LYS 7 HZ1 LYS 7 38.740 5.919 4.070
75 HZ2 LYS 7 HZ2 LYS 7 38.705 7.077 2.828
76 HZ3 LYS 7 HZ3 LYS 7 38.724 5.421 2.449
77 H GLY 8 HN GLY 8 39.646 11.502 4.526
78 HA2 GLY 8 HA1 GLY 8 38.279 12.930 2.358
79 HA3 GLY 8 HA2 GLY 8 38.516 13.903 3.823
80 H VAL 9 HN VAL 9 39.865 12.826 0.912
81 HA VAL 9 HA VAL 9 42.643 12.751 1.538
82 HB VAL 9 HB VAL 9 41.297 13.715 -1.027
83 HG11 VAL 9 HG11 VAL 9 43.524 12.925 -2.014
84 HG12 VAL 9 HG12 VAL 9 44.144 12.871 -0.346
85 HG13 VAL 9 HG13 VAL 9 43.602 14.416 -1.045
86 HG21 VAL 9 HG21 VAL 9 40.665 11.405 -0.277
87 HG22 VAL 9 HG22 VAL 9 42.392 10.974 -0.244
88 HG23 VAL 9 HG23 VAL 9 41.611 11.403 -1.785
89 H LYS 10 HN LYS 10 41.261 15.419 -0.391
90 HA LYS 10 HA LYS 10 41.979 17.488 1.493
91 HB2 LYS 10 HB2 LYS 10 44.268 16.672 0.768
92 HB3 LYS 10 HB1 LYS 10 43.861 17.212 -0.878
93 HG2 LYS 10 HG2 LYS 10 43.502 19.507 -0.063
94 HG3 LYS 10 HG1 LYS 10 43.844 18.984 1.605
95 HD2 LYS 10 HD2 LYS 10 46.128 18.362 0.987
96 HD3 LYS 10 HD1 LYS 10 45.801 18.741 -0.721
97 HE2 LYS 10 HE2 LYS 10 46.990 20.617 0.335
98 HE3 LYS 10 HE1 LYS 10 45.329 21.108 -0.078
99 HZ1 LYS 10 HZ1 LYS 10 45.876 19.972 2.583
100 HZ2 LYS 10 HZ2 LYS 10 44.683 21.085 2.107
101 HZ3 LYS 10 HZ3 LYS 10 46.298 21.586 2.278
102 H ILE 11 HN ILE 11 41.246 16.380 -1.754
103 HA ILE 11 HA ILE 11 39.778 18.966 -2.261
104 HB ILE 11 HB ILE 11 41.186 17.344 -4.420
105 HG12 ILE 11 HG12 ILE 11 42.168 19.816 -2.920
106 HG13 ILE 11 HG11 ILE 11 42.894 18.194 -2.860
107 HG21 ILE 11 HG21 ILE 11 40.734 19.237 -5.819
108 HG22 ILE 11 HG22 ILE 11 40.304 20.261 -4.427
109 HG23 ILE 11 HG23 ILE 11 39.222 18.940 -4.931
110 HD11 ILE 11 HD1 ILE 11 43.113 18.413 -5.449
111 HD12 ILE 11 HD2 ILE 11 44.229 19.363 -4.439
112 HD13 ILE 11 HD3 ILE 11 42.817 20.149 -5.183
113 H ILE 12 HN ILE 12 40.220 15.529 -3.109
114 HA ILE 12 HA ILE 12 37.605 15.325 -4.384
115 HB ILE 12 HB ILE 12 39.484 13.205 -3.298
116 HG12 ILE 12 HG12 ILE 12 39.182 14.236 -6.161
117 HG13 ILE 12 HG11 ILE 12 40.455 14.769 -5.041
118 HG21 ILE 12 HG21 ILE 12 37.289 12.234 -3.653
119 HG22 ILE 12 HG22 ILE 12 38.280 11.758 -5.044
120 HG23 ILE 12 HG23 ILE 12 37.103 13.080 -5.206
121 HD11 ILE 12 HD1 ILE 12 40.122 12.105 -6.429
122 HD12 ILE 12 HD2 ILE 12 40.895 12.120 -4.825
123 HD13 ILE 12 HD3 ILE 12 41.593 13.063 -6.159
124 H GLY 13 HN GLY 13 38.570 12.981 -1.910
125 HA2 GLY 13 HA1 GLY 13 35.992 12.951 -0.670
126 HA3 GLY 13 HA2 GLY 13 37.502 12.333 0.041
127 H GLY 14 HN GLY 14 38.352 15.190 -0.907
128 HA2 GLY 14 HA1 GLY 14 38.124 16.438 1.756
129 HA3 GLY 14 HA2 GLY 14 39.012 17.062 0.347
130 H ALA 15 HN ALA 15 37.046 17.066 -1.631
131 HA ALA 15 HA ALA 15 35.364 19.336 -0.638
132 HB1 ALA 15 HB1 ALA 15 36.501 19.501 -2.849
133 HB2 ALA 15 HB2 ALA 15 34.730 19.603 -2.986
134 HB3 ALA 15 HB3 ALA 15 35.567 18.092 -3.412
135 H ALA 16 HN ALA 16 35.067 16.612 0.344
136 HA ALA 16 HA ALA 16 33.292 15.294 0.999
137 HB1 ALA 16 HB1 ALA 16 31.077 16.015 0.750
138 HB2 ALA 16 HB2 ALA 16 31.379 16.751 -0.841
139 HB3 ALA 16 HB3 ALA 16 31.979 17.544 0.635
140 H LEU 17 HN LEU 17 35.095 14.667 -1.153
141 HA LEU 17 HA LEU 17 35.244 13.139 -2.902
142 HB2 LEU 17 HB2 LEU 17 33.754 11.937 -0.995
143 HB3 LEU 17 HB1 LEU 17 32.534 11.964 -2.282
144 HG LEU 17 HG LEU 17 35.356 10.827 -2.600
145 HD11 LEU 17 HD11 LEU 17 33.953 9.550 -0.973
146 HD12 LEU 17 HD12 LEU 17 34.285 8.626 -2.458
147 HD13 LEU 17 HD13 LEU 17 32.694 9.389 -2.221
148 HD21 LEU 17 HD21 LEU 17 34.305 9.779 -4.640
149 HD22 LEU 17 HD22 LEU 17 34.390 11.553 -4.727
150 HD23 LEU 17 HD23 LEU 17 32.847 10.753 -4.340
151 H ASP 18 HN ASP 18 34.383 15.622 -3.665
152 HA ASP 18 HA ASP 18 33.202 16.760 -5.316
153 HB2 ASP 18 HB2 ASP 18 33.263 14.059 -6.713
154 HB3 ASP 18 HB1 ASP 18 33.159 15.665 -7.474
155 H HIS 19 HN HIS 19 31.517 15.932 -3.272
156 HA HIS 19 HA HIS 19 29.273 15.557 -2.812
157 HB2 HIS 19 HB2 HIS 19 28.855 16.305 -5.732
158 HB3 HIS 19 HB1 HIS 19 27.666 16.418 -4.412
159 HD1 HIS 19 HD1 HIS 19 30.606 18.157 -5.956
160 HD2 HIS 19 HD2 HIS 19 28.306 18.482 -2.451
161 HE1 HIS 19 HE1 HIS 19 31.106 20.439 -4.925
162 H LEU 20 HN LEU 20 30.690 13.248 -3.334
163 HA LEU 20 HA LEU 20 30.381 11.026 -3.911
164 HB2 LEU 20 HB2 LEU 20 28.243 11.520 -2.598
165 HB3 LEU 20 HB1 LEU 20 27.436 11.733 -4.166
166 HG LEU 20 HG LEU 20 28.463 9.351 -4.728
167 HD11 LEU 20 HD11 LEU 20 28.542 7.905 -2.655
168 HD12 LEU 20 HD12 LEU 20 28.514 9.386 -1.673
169 HD13 LEU 20 HD13 LEU 20 29.881 9.067 -2.764
170 HD21 LEU 20 HD21 LEU 20 26.050 9.803 -4.523
171 HD22 LEU 20 HD22 LEU 20 26.169 9.716 -2.749
172 HD23 LEU 20 HD23 LEU 20 26.455 8.261 -3.734
Start of MODEL 56
1 H1 TRP 1 HT1 TRP 1 45.598 12.490 13.626
2 H2 TRP 1 HT2 TRP 1 46.570 11.098 13.548
3 H3 TRP 1 HT3 TRP 1 45.847 11.554 15.017
4 HA TRP 1 HA TRP 1 44.776 10.111 12.781
5 HB2 TRP 1 HB2 TRP 1 44.042 10.398 15.722
6 HB3 TRP 1 HB1 TRP 1 43.293 9.247 14.590
7 HD1 TRP 1 HD1 TRP 1 45.208 7.620 13.271
8 HE1 TRP 1 HE1 TRP 1 47.225 6.362 14.327
9 HE3 TRP 1 HE3 TRP 1 45.693 10.346 17.576
10 HZ2 TRP 1 HZ2 TRP 1 48.812 6.544 16.723
11 HZ3 TRP 1 HZ3 TRP 1 47.466 9.787 19.232
12 HH2 TRP 1 HH2 TRP 1 49.025 7.891 18.809
13 H LEU 2 HN LEU 2 43.133 10.711 11.535
14 HA LEU 2 HA LEU 2 41.841 13.275 11.935
15 HB2 LEU 2 HB2 LEU 2 40.851 11.061 10.114
16 HB3 LEU 2 HB1 LEU 2 40.693 12.822 9.906
17 HG LEU 2 HG LEU 2 43.277 11.206 9.782
18 HD11 LEU 2 HD11 LEU 2 41.727 11.063 7.802
19 HD12 LEU 2 HD12 LEU 2 43.284 11.840 7.426
20 HD13 LEU 2 HD13 LEU 2 41.825 12.834 7.651
21 HD21 LEU 2 HD21 LEU 2 44.185 13.505 9.002
22 HD22 LEU 2 HD22 LEU 2 43.868 13.315 10.740
23 HD23 LEU 2 HD23 LEU 2 42.710 14.199 9.716
24 H ARG 3 HN ARG 3 40.347 10.060 11.610
25 HA ARG 3 HA ARG 3 38.867 10.264 14.093
26 HB2 ARG 3 HB2 ARG 3 37.619 11.927 12.660
27 HB3 ARG 3 HB1 ARG 3 37.265 10.607 11.522
28 HG2 ARG 3 HG2 ARG 3 36.004 9.396 13.184
29 HG3 ARG 3 HG1 ARG 3 36.546 10.488 14.480
30 HD2 ARG 3 HD2 ARG 3 35.384 12.382 13.310
31 HD3 ARG 3 HD1 ARG 3 34.756 11.214 12.121
32 HE ARG 3 HE ARG 3 33.655 11.662 14.731
33 HH11 ARG 3 HH11 ARG 3 32.007 10.388 12.705
34 HH12 ARG 3 HH12 ARG 3 31.944 8.730 13.204
35 HH21 ARG 3 HH21 ARG 3 34.679 8.986 15.320
36 HH22 ARG 3 HH22 ARG 3 33.456 7.937 14.684
37 H ARG 4 HN ARG 4 40.003 8.862 11.268
38 HA ARG 4 HA ARG 4 39.630 6.179 12.200
39 HB2 ARG 4 HB2 ARG 4 38.099 5.379 10.391
40 HB3 ARG 4 HB1 ARG 4 37.292 6.475 11.540
41 HG2 ARG 4 HG2 ARG 4 37.725 8.377 9.958
42 HG3 ARG 4 HG1 ARG 4 38.391 7.208 8.790
43 HD2 ARG 4 HD2 ARG 4 35.589 6.996 9.967
44 HD3 ARG 4 HD1 ARG 4 35.946 7.798 8.419
45 HE ARG 4 HE ARG 4 35.780 4.948 8.824
46 HH11 ARG 4 HH11 ARG 4 35.837 6.913 6.321
47 HH12 ARG 4 HH12 ARG 4 37.086 6.136 5.405
48 HH21 ARG 4 HH21 ARG 4 38.150 4.149 8.040
49 HH22 ARG 4 HH22 ARG 4 38.395 4.570 6.378
50 H ILE 5 HN ILE 5 41.175 8.502 10.597
51 HA ILE 5 HA ILE 5 42.896 8.513 9.043
52 HB ILE 5 HB ILE 5 42.945 5.473 9.257
53 HG12 ILE 5 HG12 ILE 5 44.204 7.548 11.114
54 HG13 ILE 5 HG11 ILE 5 42.854 6.467 11.533
55 HG21 ILE 5 HG21 ILE 5 44.379 6.770 7.548
56 HG22 ILE 5 HG22 ILE 5 45.255 5.695 8.659
57 HG23 ILE 5 HG23 ILE 5 45.241 7.452 8.947
58 HD11 ILE 5 HD1 ILE 5 44.454 4.526 10.867
59 HD12 ILE 5 HD2 ILE 5 44.769 5.366 12.404
60 HD13 ILE 5 HD3 ILE 5 45.749 5.745 10.968
61 H GLY 6 HN GLY 6 40.743 8.997 7.763
62 HA2 GLY 6 HA1 GLY 6 41.096 8.117 5.135
63 HA3 GLY 6 HA2 GLY 6 39.915 6.997 5.842
64 H LYS 7 HN LYS 7 40.015 10.192 7.144
65 HA LYS 7 HA LYS 7 37.300 10.739 6.625
66 HB2 LYS 7 HB2 LYS 7 39.101 11.914 8.170
67 HB3 LYS 7 HB1 LYS 7 39.330 12.987 6.775
68 HG2 LYS 7 HG2 LYS 7 36.705 12.447 8.241
69 HG3 LYS 7 HG1 LYS 7 37.663 13.946 8.300
70 HD2 LYS 7 HD2 LYS 7 37.366 14.008 5.713
71 HD3 LYS 7 HD1 LYS 7 36.090 12.792 5.967
72 HE2 LYS 7 HE2 LYS 7 36.208 15.564 7.234
73 HE3 LYS 7 HE1 LYS 7 35.106 15.045 5.935
74 HZ1 LYS 7 HZ1 LYS 7 34.369 13.258 7.549
75 HZ2 LYS 7 HZ2 LYS 7 33.894 14.847 7.916
76 HZ3 LYS 7 HZ3 LYS 7 35.183 14.127 8.756
77 H GLY 8 HN GLY 8 40.091 12.326 4.992
78 HA2 GLY 8 HA1 GLY 8 38.889 11.976 2.367
79 HA3 GLY 8 HA2 GLY 8 38.697 13.632 2.977
80 H VAL 9 HN VAL 9 40.171 12.822 0.646
81 HA VAL 9 HA VAL 9 42.997 12.736 1.262
82 HB VAL 9 HB VAL 9 41.557 13.569 -1.298
83 HG11 VAL 9 HG11 VAL 9 43.826 12.932 -2.314
84 HG12 VAL 9 HG12 VAL 9 44.477 12.979 -0.658
85 HG13 VAL 9 HG13 VAL 9 43.795 14.452 -1.389
86 HG21 VAL 9 HG21 VAL 9 41.944 11.291 -2.019
87 HG22 VAL 9 HG22 VAL 9 41.177 11.213 -0.414
88 HG23 VAL 9 HG23 VAL 9 42.929 10.945 -0.578
89 H LYS 10 HN LYS 10 41.572 15.305 -0.754
90 HA LYS 10 HA LYS 10 42.127 17.433 1.111
91 HB2 LYS 10 HB2 LYS 10 44.466 16.853 0.683
92 HB3 LYS 10 HB1 LYS 10 44.192 16.916 -1.070
93 HG2 LYS 10 HG2 LYS 10 45.305 18.970 -0.182
94 HG3 LYS 10 HG1 LYS 10 43.750 19.324 -0.962
95 HD2 LYS 10 HD2 LYS 10 42.657 19.720 1.104
96 HD3 LYS 10 HD1 LYS 10 43.886 18.833 2.036
97 HE2 LYS 10 HE2 LYS 10 44.454 21.426 0.539
98 HE3 LYS 10 HE1 LYS 10 44.006 21.359 2.261
99 HZ1 LYS 10 HZ1 LYS 10 46.524 21.189 1.326
100 HZ2 LYS 10 HZ2 LYS 10 46.128 19.545 1.489
101 HZ3 LYS 10 HZ3 LYS 10 46.016 20.585 2.828
102 H ILE 11 HN ILE 11 41.245 16.127 -1.946
103 HA ILE 11 HA ILE 11 40.095 18.795 -2.780
104 HB ILE 11 HB ILE 11 40.907 16.567 -4.690
105 HG12 ILE 11 HG12 ILE 11 42.512 19.001 -3.783
106 HG13 ILE 11 HG11 ILE 11 42.928 17.296 -3.495
107 HG21 ILE 11 HG21 ILE 11 39.225 18.419 -5.321
108 HG22 ILE 11 HG22 ILE 11 40.638 18.238 -6.384
109 HG23 ILE 11 HG23 ILE 11 40.587 19.555 -5.189
110 HD11 ILE 11 HD1 ILE 11 42.847 17.046 -6.088
111 HD12 ILE 11 HD2 ILE 11 44.239 17.898 -5.380
112 HD13 ILE 11 HD3 ILE 11 42.912 18.825 -6.120
113 H ILE 12 HN ILE 12 39.808 15.231 -3.130
114 HA ILE 12 HA ILE 12 36.982 15.466 -3.917
115 HB ILE 12 HB ILE 12 38.694 13.070 -3.168
116 HG12 ILE 12 HG12 ILE 12 37.877 13.779 -6.016
117 HG13 ILE 12 HG11 ILE 12 39.265 14.608 -5.279
118 HG21 ILE 12 HG21 ILE 12 36.520 12.197 -3.010
119 HG22 ILE 12 HG22 ILE 12 36.794 11.967 -4.746
120 HG23 ILE 12 HG23 ILE 12 35.846 13.358 -4.177
121 HD11 ILE 12 HD1 ILE 12 39.043 11.575 -5.246
122 HD12 ILE 12 HD2 ILE 12 40.485 12.589 -5.008
123 HD13 ILE 12 HD3 ILE 12 39.753 12.449 -6.623
124 H GLY 13 HN GLY 13 37.926 12.935 -1.659
125 HA2 GLY 13 HA1 GLY 13 35.732 13.345 0.094
126 HA3 GLY 13 HA2 GLY 13 37.242 12.504 0.515
127 H GLY 14 HN GLY 14 38.396 15.142 -0.607
128 HA2 GLY 14 HA1 GLY 14 38.816 16.420 2.009
129 HA3 GLY 14 HA2 GLY 14 39.550 16.879 0.457
130 H ALA 15 HN ALA 15 37.395 17.321 -1.211
131 HA ALA 15 HA ALA 15 36.262 19.786 0.066
132 HB1 ALA 15 HB1 ALA 15 37.153 19.775 -2.306
133 HB2 ALA 15 HB2 ALA 15 35.484 20.363 -2.131
134 HB3 ALA 15 HB3 ALA 15 35.785 18.719 -2.740
135 H ALA 16 HN ALA 16 35.629 17.064 0.950
136 HA ALA 16 HA ALA 16 33.738 16.060 1.821
137 HB1 ALA 16 HB1 ALA 16 32.801 18.519 1.659
138 HB2 ALA 16 HB2 ALA 16 31.676 17.159 1.888
139 HB3 ALA 16 HB3 ALA 16 31.881 17.882 0.276
140 H LEU 17 HN LEU 17 35.098 15.060 -0.398
141 HA LEU 17 HA LEU 17 34.771 13.461 -2.053
142 HB2 LEU 17 HB2 LEU 17 32.990 12.719 -0.269
143 HB3 LEU 17 HB1 LEU 17 31.807 13.372 -1.421
144 HG LEU 17 HG LEU 17 33.177 11.884 -3.188
145 HD11 LEU 17 HD11 LEU 17 33.687 10.464 -0.532
146 HD12 LEU 17 HD12 LEU 17 34.930 11.170 -1.590
147 HD13 LEU 17 HD13 LEU 17 33.980 9.773 -2.144
148 HD21 LEU 17 HD21 LEU 17 31.647 9.949 -2.637
149 HD22 LEU 17 HD22 LEU 17 30.817 11.521 -2.717
150 HD23 LEU 17 HD23 LEU 17 31.197 10.795 -1.137
151 H ASP 18 HN ASP 18 34.280 16.403 -2.458
152 HA ASP 18 HA ASP 18 33.635 17.794 -4.191
153 HB2 ASP 18 HB2 ASP 18 34.962 16.148 -5.511
154 HB3 ASP 18 HB1 ASP 18 33.475 15.215 -5.801
155 H HIS 19 HN HIS 19 31.757 14.946 -5.268
156 HA HIS 19 HA HIS 19 29.416 16.344 -5.898
157 HB2 HIS 19 HB2 HIS 19 29.581 13.529 -4.750
158 HB3 HIS 19 HB1 HIS 19 28.255 14.198 -5.732
159 HD1 HIS 19 HD1 HIS 19 31.529 12.508 -5.972
160 HD2 HIS 19 HD2 HIS 19 29.214 14.991 -8.454
161 HE1 HIS 19 HE1 HIS 19 32.404 12.233 -8.357
162 H LEU 20 HN LEU 20 29.766 14.333 -2.936
163 HA LEU 20 HA LEU 20 27.538 15.728 -1.658
164 HB2 LEU 20 HB2 LEU 20 29.572 13.934 -0.290
165 HB3 LEU 20 HB1 LEU 20 27.876 14.230 0.161
166 HG LEU 20 HG LEU 20 28.847 12.796 -2.352
167 HD11 LEU 20 HD11 LEU 20 27.936 10.800 -1.321
168 HD12 LEU 20 HD12 LEU 20 27.272 11.742 0.035
169 HD13 LEU 20 HD13 LEU 20 29.034 11.563 -0.148
170 HD21 LEU 20 HD21 LEU 20 26.819 13.908 -2.957
171 HD22 LEU 20 HD22 LEU 20 26.085 13.617 -1.362
172 HD23 LEU 20 HD23 LEU 20 26.309 12.268 -2.501
Start of MODEL 57
1 H1 TRP 1 HT1 TRP 1 37.357 2.485 -4.321
2 H2 TRP 1 HT2 TRP 1 38.887 3.121 -3.943
3 H3 TRP 1 HT3 TRP 1 37.514 4.122 -3.912
4 HA TRP 1 HA TRP 1 36.598 2.898 -2.093
5 HB2 TRP 1 HB2 TRP 1 39.229 1.381 -1.987
6 HB3 TRP 1 HB1 TRP 1 37.721 1.058 -1.096
7 HD1 TRP 1 HD1 TRP 1 39.551 0.090 -4.155
8 HE1 TRP 1 HE1 TRP 1 38.071 -1.350 -5.735
9 HE3 TRP 1 HE3 TRP 1 35.000 0.898 -1.955
10 HZ2 TRP 1 HZ2 TRP 1 35.286 -2.039 -5.981
11 HZ3 TRP 1 HZ3 TRP 1 32.945 -0.161 -2.878
12 HH2 TRP 1 HH2 TRP 1 33.083 -1.627 -4.887
13 H LEU 2 HN LEU 2 37.524 5.382 -2.342
14 HA LEU 2 HA LEU 2 38.489 7.108 -1.126
15 HB2 LEU 2 HB2 LEU 2 39.109 5.071 1.030
16 HB3 LEU 2 HB1 LEU 2 38.847 6.818 1.214
17 HG LEU 2 HG LEU 2 36.766 4.743 0.392
18 HD11 LEU 2 HD11 LEU 2 36.894 6.582 2.819
19 HD12 LEU 2 HD12 LEU 2 37.424 4.882 2.830
20 HD13 LEU 2 HD13 LEU 2 35.718 5.281 2.513
21 HD21 LEU 2 HD21 LEU 2 36.194 6.701 -0.841
22 HD22 LEU 2 HD22 LEU 2 36.710 7.788 0.472
23 HD23 LEU 2 HD23 LEU 2 35.221 6.827 0.640
24 H ARG 3 HN ARG 3 40.171 4.426 -2.160
25 HA ARG 3 HA ARG 3 42.386 4.018 -2.653
26 HB2 ARG 3 HB2 ARG 3 42.447 7.050 -2.428
27 HB3 ARG 3 HB1 ARG 3 43.882 6.100 -2.870
28 HG2 ARG 3 HG2 ARG 3 42.706 6.870 -4.893
29 HG3 ARG 3 HG1 ARG 3 42.627 5.098 -4.768
30 HD2 ARG 3 HD2 ARG 3 40.344 5.118 -4.156
31 HD3 ARG 3 HD1 ARG 3 40.398 6.817 -3.626
32 HE ARG 3 HE ARG 3 40.980 6.621 -6.447
33 HH11 ARG 3 HH11 ARG 3 38.400 5.083 -5.193
34 HH12 ARG 3 HH12 ARG 3 37.182 6.159 -5.792
35 HH21 ARG 3 HH21 ARG 3 39.442 8.604 -6.759
36 HH22 ARG 3 HH22 ARG 3 37.772 8.153 -6.678
37 H ARG 4 HN ARG 4 42.916 6.777 -0.432
38 HA ARG 4 HA ARG 4 44.925 5.274 1.028
39 HB2 ARG 4 HB2 ARG 4 43.533 7.921 1.580
40 HB3 ARG 4 HB1 ARG 4 44.869 7.272 2.562
41 HG2 ARG 4 HG2 ARG 4 46.347 7.247 0.611
42 HG3 ARG 4 HG1 ARG 4 45.011 7.766 -0.444
43 HD2 ARG 4 HD2 ARG 4 46.523 9.656 0.227
44 HD3 ARG 4 HD1 ARG 4 44.836 9.894 0.741
45 HE ARG 4 HE ARG 4 46.506 8.606 2.778
46 HH11 ARG 4 HH11 ARG 4 46.168 11.628 1.228
47 HH12 ARG 4 HH12 ARG 4 46.122 12.544 2.697
48 HH21 ARG 4 HH21 ARG 4 46.126 9.751 4.752
49 HH22 ARG 4 HH22 ARG 4 46.099 11.482 4.693
50 H ILE 5 HN ILE 5 41.889 4.448 0.931
51 HA ILE 5 HA ILE 5 40.330 3.590 2.430
52 HB ILE 5 HB ILE 5 42.732 2.932 4.185
53 HG12 ILE 5 HG12 ILE 5 41.774 1.560 1.630
54 HG13 ILE 5 HG11 ILE 5 43.322 2.407 1.853
55 HG21 ILE 5 HG21 ILE 5 40.268 1.265 3.530
56 HG22 ILE 5 HG22 ILE 5 40.302 2.420 4.883
57 HG23 ILE 5 HG23 ILE 5 41.427 1.043 4.862
58 HD11 ILE 5 HD1 ILE 5 43.727 0.744 3.815
59 HD12 ILE 5 HD2 ILE 5 43.868 0.115 2.156
60 HD13 ILE 5 HD3 ILE 5 42.397 -0.201 3.104
61 H GLY 6 HN GLY 6 40.019 6.114 2.759
62 HA2 GLY 6 HA1 GLY 6 39.590 6.434 5.644
63 HA3 GLY 6 HA2 GLY 6 40.789 7.553 4.965
64 H LYS 7 HN LYS 7 39.941 8.473 2.699
65 HA LYS 7 HA LYS 7 37.082 8.938 2.559
66 HB2 LYS 7 HB2 LYS 7 37.171 11.388 3.072
67 HB3 LYS 7 HB1 LYS 7 37.466 10.358 4.494
68 HG2 LYS 7 HG2 LYS 7 39.944 10.625 4.093
69 HG3 LYS 7 HG1 LYS 7 39.561 11.793 2.806
70 HD2 LYS 7 HD2 LYS 7 38.450 13.268 4.388
71 HD3 LYS 7 HD1 LYS 7 38.610 12.063 5.689
72 HE2 LYS 7 HE2 LYS 7 40.992 13.266 4.221
73 HE3 LYS 7 HE1 LYS 7 40.342 13.928 5.741
74 HZ1 LYS 7 HZ1 LYS 7 40.801 11.068 5.759
75 HZ2 LYS 7 HZ2 LYS 7 41.191 12.243 6.923
76 HZ3 LYS 7 HZ3 LYS 7 42.209 11.997 5.586
77 H GLY 8 HN GLY 8 40.383 10.011 1.773
78 HA2 GLY 8 HA1 GLY 8 40.174 9.750 -0.981
79 HA3 GLY 8 HA2 GLY 8 39.561 11.385 -0.660
80 H VAL 9 HN VAL 9 41.312 12.240 -1.877
81 HA VAL 9 HA VAL 9 44.060 11.767 -0.977
82 HB VAL 9 HB VAL 9 42.954 13.948 -2.804
83 HG11 VAL 9 HG11 VAL 9 45.157 14.536 -2.004
84 HG12 VAL 9 HG12 VAL 9 45.354 13.889 -3.651
85 HG13 VAL 9 HG13 VAL 9 45.750 12.876 -2.243
86 HG21 VAL 9 HG21 VAL 9 42.455 11.631 -3.596
87 HG22 VAL 9 HG22 VAL 9 44.186 11.235 -3.469
88 HG23 VAL 9 HG23 VAL 9 43.636 12.456 -4.642
89 H LYS 10 HN LYS 10 42.039 14.737 -1.153
90 HA LYS 10 HA LYS 10 42.608 15.475 1.583
91 HB2 LYS 10 HB2 LYS 10 44.857 15.882 0.466
92 HB3 LYS 10 HB1 LYS 10 44.055 17.135 -0.513
93 HG2 LYS 10 HG2 LYS 10 43.307 18.250 1.613
94 HG3 LYS 10 HG1 LYS 10 44.257 17.054 2.529
95 HD2 LYS 10 HD2 LYS 10 46.316 17.784 1.399
96 HD3 LYS 10 HD1 LYS 10 45.387 18.940 0.414
97 HE2 LYS 10 HE2 LYS 10 45.479 18.982 3.460
98 HE3 LYS 10 HE1 LYS 10 46.510 19.989 2.417
99 HZ1 LYS 10 HZ1 LYS 10 43.885 20.483 3.231
100 HZ2 LYS 10 HZ2 LYS 10 43.836 20.200 1.557
101 HZ3 LYS 10 HZ3 LYS 10 44.845 21.412 2.188
102 H ILE 11 HN ILE 11 42.261 17.142 -1.596
103 HA ILE 11 HA ILE 11 40.207 18.906 -0.439
104 HB ILE 11 HB ILE 11 39.998 19.789 -2.752
105 HG12 ILE 11 HG12 ILE 11 42.178 17.724 -3.324
106 HG13 ILE 11 HG11 ILE 11 40.532 17.733 -3.997
107 HG21 ILE 11 HG21 ILE 11 41.741 20.580 -1.033
108 HG22 ILE 11 HG22 ILE 11 42.107 20.952 -2.731
109 HG23 ILE 11 HG23 ILE 11 42.926 19.594 -1.922
110 HD11 ILE 11 HD1 ILE 11 41.852 18.700 -5.714
111 HD12 ILE 11 HD2 ILE 11 42.819 19.648 -4.562
112 HD13 ILE 11 HD3 ILE 11 41.131 20.108 -4.898
113 H ILE 12 HN ILE 12 40.098 15.775 -1.230
114 HA ILE 12 HA ILE 12 37.754 15.676 -2.947
115 HB ILE 12 HB ILE 12 38.879 13.725 -0.925
116 HG12 ILE 12 HG12 ILE 12 40.570 14.179 -2.586
117 HG13 ILE 12 HG11 ILE 12 39.889 12.585 -2.961
118 HG21 ILE 12 HG21 ILE 12 36.738 12.856 -1.321
119 HG22 ILE 12 HG22 ILE 12 37.638 12.053 -2.624
120 HG23 ILE 12 HG23 ILE 12 36.655 13.494 -2.976
121 HD11 ILE 12 HD1 ILE 12 39.516 15.214 -4.425
122 HD12 ILE 12 HD2 ILE 12 38.283 13.940 -4.564
123 HD13 ILE 12 HD3 ILE 12 39.952 13.620 -5.077
124 H GLY 13 HN GLY 13 37.759 14.113 0.228
125 HA2 GLY 13 HA1 GLY 13 35.073 14.907 0.821
126 HA3 GLY 13 HA2 GLY 13 36.265 14.274 1.978
127 H GLY 14 HN GLY 14 37.867 16.570 0.432
128 HA2 GLY 14 HA1 GLY 14 37.471 18.560 2.608
129 HA3 GLY 14 HA2 GLY 14 38.728 18.569 1.355
130 H ALA 15 HN ALA 15 37.023 18.179 -0.916
131 HA ALA 15 HA ALA 15 35.832 20.941 -1.037
132 HB1 ALA 15 HB1 ALA 15 35.765 20.580 -3.449
133 HB2 ALA 15 HB2 ALA 15 36.283 18.891 -3.245
134 HB3 ALA 15 HB3 ALA 15 37.397 20.223 -2.843
135 H ALA 16 HN ALA 16 34.792 18.612 0.458
136 HA ALA 16 HA ALA 16 32.654 17.905 0.990
137 HB1 ALA 16 HB1 ALA 16 31.485 18.955 -1.595
138 HB2 ALA 16 HB2 ALA 16 31.968 20.094 -0.318
139 HB3 ALA 16 HB3 ALA 16 30.747 18.844 0.021
140 H LEU 17 HN LEU 17 34.665 16.376 -0.373
141 HA LEU 17 HA LEU 17 34.803 14.310 -1.445
142 HB2 LEU 17 HB2 LEU 17 32.688 14.017 0.122
143 HB3 LEU 17 HB1 LEU 17 31.783 14.048 -1.408
144 HG LEU 17 HG LEU 17 33.633 12.244 -2.161
145 HD11 LEU 17 HD11 LEU 17 33.471 11.709 0.836
146 HD12 LEU 17 HD12 LEU 17 34.853 12.534 0.081
147 HD13 LEU 17 HD13 LEU 17 34.460 10.861 -0.375
148 HD21 LEU 17 HD21 LEU 17 32.115 10.439 -1.374
149 HD22 LEU 17 HD22 LEU 17 31.202 11.816 -2.036
150 HD23 LEU 17 HD23 LEU 17 31.321 11.590 -0.274
151 H ASP 18 HN ASP 18 33.792 16.977 -2.831
152 HA ASP 18 HA ASP 18 33.406 17.630 -5.015
153 HB2 ASP 18 HB2 ASP 18 35.383 16.079 -5.387
154 HB3 ASP 18 HB1 ASP 18 34.214 14.810 -5.820
155 H HIS 19 HN HIS 19 32.571 14.167 -5.427
156 HA HIS 19 HA HIS 19 30.211 14.657 -6.897
157 HB2 HIS 19 HB2 HIS 19 31.345 12.455 -6.733
158 HB3 HIS 19 HB1 HIS 19 30.797 12.314 -5.045
159 HD1 HIS 19 HD1 HIS 19 28.152 14.032 -6.721
160 HD2 HIS 19 HD2 HIS 19 29.429 10.025 -6.689
161 HE1 HIS 19 HE1 HIS 19 26.176 12.596 -7.476
162 H LEU 20 HN LEU 20 30.223 13.375 -3.538
163 HA LEU 20 HA LEU 20 27.544 14.593 -3.108
164 HB2 LEU 20 HB2 LEU 20 29.177 12.990 -1.110
165 HB3 LEU 20 HB1 LEU 20 27.412 13.213 -1.179
166 HG LEU 20 HG LEU 20 29.128 11.680 -3.181
167 HD11 LEU 20 HD11 LEU 20 27.894 9.728 -2.358
168 HD12 LEU 20 HD12 LEU 20 26.929 10.762 -1.275
169 HD13 LEU 20 HD13 LEU 20 28.674 10.554 -0.989
170 HD21 LEU 20 HD21 LEU 20 26.182 12.455 -3.164
171 HD22 LEU 20 HD22 LEU 20 26.779 11.050 -4.080
172 HD23 LEU 20 HD23 LEU 20 27.376 12.679 -4.465
Start of MODEL 58
1 H1 TRP 1 HT1 TRP 1 41.328 14.774 19.057
2 H2 TRP 1 HT2 TRP 1 42.517 15.924 18.674
3 H3 TRP 1 HT3 TRP 1 42.840 14.267 18.484
4 HA TRP 1 HA TRP 1 40.554 15.327 17.064
5 HB2 TRP 1 HB2 TRP 1 43.431 15.894 16.245
6 HB3 TRP 1 HB1 TRP 1 41.990 16.177 15.238
7 HD1 TRP 1 HD1 TRP 1 40.163 17.957 16.262
8 HE1 TRP 1 HE1 TRP 1 40.530 20.123 17.654
9 HE3 TRP 1 HE3 TRP 1 44.909 17.039 17.947
10 HZ2 TRP 1 HZ2 TRP 1 42.619 21.271 19.271
11 HZ3 TRP 1 HZ3 TRP 1 46.070 18.682 19.412
12 HH2 TRP 1 HH2 TRP 1 44.929 20.795 20.076
13 H LEU 2 HN LEU 2 40.343 14.222 14.999
14 HA LEU 2 HA LEU 2 41.075 11.413 15.263
15 HB2 LEU 2 HB2 LEU 2 39.949 12.718 12.763
16 HB3 LEU 2 HB1 LEU 2 39.705 11.060 13.362
17 HG LEU 2 HG LEU 2 38.652 13.627 14.630
18 HD11 LEU 2 HD11 LEU 2 37.275 11.255 13.293
19 HD12 LEU 2 HD12 LEU 2 37.418 12.897 12.623
20 HD13 LEU 2 HD13 LEU 2 36.443 12.614 14.085
21 HD21 LEU 2 HD21 LEU 2 39.171 12.147 16.445
22 HD22 LEU 2 HD22 LEU 2 38.612 10.720 15.541
23 HD23 LEU 2 HD23 LEU 2 37.435 11.917 16.133
24 H ARG 3 HN ARG 3 42.580 14.187 13.950
25 HA ARG 3 HA ARG 3 44.658 14.405 12.951
26 HB2 ARG 3 HB2 ARG 3 45.102 12.113 14.179
27 HB3 ARG 3 HB1 ARG 3 44.930 11.406 12.557
28 HG2 ARG 3 HG2 ARG 3 46.652 13.103 11.747
29 HG3 ARG 3 HG1 ARG 3 46.933 13.519 13.455
30 HD2 ARG 3 HD2 ARG 3 47.471 11.129 13.928
31 HD3 ARG 3 HD1 ARG 3 47.255 10.757 12.200
32 HE ARG 3 HE ARG 3 49.165 12.901 12.556
33 HH11 ARG 3 HH11 ARG 3 49.391 10.100 14.228
34 HH12 ARG 3 HH12 ARG 3 50.739 9.438 13.365
35 HH21 ARG 3 HH21 ARG 3 50.612 11.795 10.826
36 HH22 ARG 3 HH22 ARG 3 51.429 10.397 11.439
37 H ARG 4 HN ARG 4 42.766 11.705 11.514
38 HA ARG 4 HA ARG 4 43.614 12.400 8.808
39 HB2 ARG 4 HB2 ARG 4 41.209 10.711 9.573
40 HB3 ARG 4 HB1 ARG 4 42.210 10.614 8.104
41 HG2 ARG 4 HG2 ARG 4 43.089 9.941 10.947
42 HG3 ARG 4 HG1 ARG 4 42.813 8.786 9.623
43 HD2 ARG 4 HD2 ARG 4 44.604 10.151 8.316
44 HD3 ARG 4 HD1 ARG 4 45.023 10.849 9.900
45 HE ARG 4 HE ARG 4 44.979 8.054 10.259
46 HH11 ARG 4 HH11 ARG 4 47.077 10.566 9.672
47 HH12 ARG 4 HH12 ARG 4 48.346 9.602 8.995
48 HH21 ARG 4 HH21 ARG 4 46.424 6.722 8.816
49 HH22 ARG 4 HH22 ARG 4 47.976 7.425 8.509
50 H ILE 5 HN ILE 5 41.514 13.837 10.987
51 HA ILE 5 HA ILE 5 39.844 15.424 10.748
52 HB ILE 5 HB ILE 5 40.732 15.724 7.849
53 HG12 ILE 5 HG12 ILE 5 41.996 16.855 10.388
54 HG13 ILE 5 HG11 ILE 5 42.743 15.690 9.270
55 HG21 ILE 5 HG21 ILE 5 39.937 17.970 8.078
56 HG22 ILE 5 HG22 ILE 5 39.826 17.834 9.850
57 HG23 ILE 5 HG23 ILE 5 38.680 16.951 8.814
58 HD11 ILE 5 HD1 ILE 5 42.094 18.618 8.796
59 HD12 ILE 5 HD2 ILE 5 42.347 17.497 7.434
60 HD13 ILE 5 HD3 ILE 5 43.652 17.782 8.611
61 H GLY 6 HN GLY 6 38.516 13.329 10.868
62 HA2 GLY 6 HA1 GLY 6 36.672 12.132 10.152
63 HA3 GLY 6 HA2 GLY 6 36.250 13.587 9.227
64 H LYS 7 HN LYS 7 39.263 11.920 8.617
65 HA LYS 7 HA LYS 7 40.015 10.815 6.721
66 HB2 LYS 7 HB2 LYS 7 37.167 9.792 6.443
67 HB3 LYS 7 HB1 LYS 7 38.666 9.015 5.879
68 HG2 LYS 7 HG2 LYS 7 39.416 8.960 8.324
69 HG3 LYS 7 HG1 LYS 7 37.757 9.438 8.754
70 HD2 LYS 7 HD2 LYS 7 38.493 6.978 7.102
71 HD3 LYS 7 HD1 LYS 7 38.091 6.958 8.835
72 HE2 LYS 7 HE2 LYS 7 35.875 8.145 8.125
73 HE3 LYS 7 HE1 LYS 7 36.287 7.601 6.479
74 HZ1 LYS 7 HZ1 LYS 7 35.244 6.104 8.663
75 HZ2 LYS 7 HZ2 LYS 7 36.697 5.419 8.112
76 HZ3 LYS 7 HZ3 LYS 7 35.406 5.659 7.035
77 H GLY 8 HN GLY 8 40.557 12.157 5.118
78 HA2 GLY 8 HA1 GLY 8 38.971 12.460 2.812
79 HA3 GLY 8 HA2 GLY 8 38.678 13.898 3.810
80 H VAL 9 HN VAL 9 40.384 12.831 1.266
81 HA VAL 9 HA VAL 9 43.071 13.590 1.743
82 HB VAL 9 HB VAL 9 42.966 14.222 -0.825
83 HG11 VAL 9 HG11 VAL 9 42.241 11.446 0.213
84 HG12 VAL 9 HG12 VAL 9 43.882 12.102 -0.004
85 HG13 VAL 9 HG13 VAL 9 42.852 11.795 -1.422
86 HG21 VAL 9 HG21 VAL 9 40.995 13.528 -2.004
87 HG22 VAL 9 HG22 VAL 9 40.399 14.507 -0.645
88 HG23 VAL 9 HG23 VAL 9 40.317 12.733 -0.563
89 H LYS 10 HN LYS 10 41.777 15.670 -0.675
90 HA LYS 10 HA LYS 10 41.472 18.006 1.089
91 HB2 LYS 10 HB2 LYS 10 43.995 17.622 0.809
92 HB3 LYS 10 HB1 LYS 10 43.765 18.026 -0.908
93 HG2 LYS 10 HG2 LYS 10 42.637 20.187 -0.118
94 HG3 LYS 10 HG1 LYS 10 43.224 19.794 1.513
95 HD2 LYS 10 HD2 LYS 10 44.997 20.047 -0.958
96 HD3 LYS 10 HD1 LYS 10 44.765 21.329 0.252
97 HE2 LYS 10 HE2 LYS 10 45.521 19.542 1.997
98 HE3 LYS 10 HE1 LYS 10 46.119 18.633 0.587
99 HZ1 LYS 10 HZ1 LYS 10 46.929 21.284 0.287
100 HZ2 LYS 10 HZ2 LYS 10 47.899 19.923 0.594
101 HZ3 LYS 10 HZ3 LYS 10 47.288 20.843 1.885
102 H ILE 11 HN ILE 11 41.417 16.380 -1.979
103 HA ILE 11 HA ILE 11 40.059 18.741 -3.272
104 HB ILE 11 HB ILE 11 41.113 16.241 -4.643
105 HG12 ILE 11 HG12 ILE 11 42.957 18.157 -5.330
106 HG13 ILE 11 HG11 ILE 11 42.569 18.723 -3.692
107 HG21 ILE 11 HG21 ILE 11 41.038 17.736 -6.642
108 HG22 ILE 11 HG22 ILE 11 40.388 19.042 -5.622
109 HG23 ILE 11 HG23 ILE 11 39.439 17.559 -5.881
110 HD11 ILE 11 HD1 ILE 11 44.412 17.216 -3.450
111 HD12 ILE 11 HD2 ILE 11 43.674 16.016 -4.538
112 HD13 ILE 11 HD3 ILE 11 42.987 16.294 -2.924
113 H ILE 12 HN ILE 12 39.877 15.153 -3.010
114 HA ILE 12 HA ILE 12 37.052 15.263 -3.963
115 HB ILE 12 HB ILE 12 38.847 12.903 -3.282
116 HG12 ILE 12 HG12 ILE 12 38.088 13.716 -6.121
117 HG13 ILE 12 HG11 ILE 12 39.438 14.541 -5.313
118 HG21 ILE 12 HG21 ILE 12 37.042 11.794 -4.927
119 HG22 ILE 12 HG22 ILE 12 36.035 13.161 -4.409
120 HG23 ILE 12 HG23 ILE 12 36.663 12.012 -3.208
121 HD11 ILE 12 HD1 ILE 12 40.313 12.663 -6.596
122 HD12 ILE 12 HD2 ILE 12 39.186 11.539 -5.804
123 HD13 ILE 12 HD3 ILE 12 40.488 12.303 -4.864
124 H GLY 13 HN GLY 13 38.008 12.661 -1.827
125 HA2 GLY 13 HA1 GLY 13 35.822 12.978 -0.063
126 HA3 GLY 13 HA2 GLY 13 37.339 12.136 0.333
127 H GLY 14 HN GLY 14 38.490 14.835 -0.624
128 HA2 GLY 14 HA1 GLY 14 38.799 15.996 2.068
129 HA3 GLY 14 HA2 GLY 14 39.606 16.509 0.573
130 H ALA 15 HN ALA 15 37.568 16.992 -1.195
131 HA ALA 15 HA ALA 15 36.373 19.431 0.062
132 HB1 ALA 15 HB1 ALA 15 35.926 18.394 -2.758
133 HB2 ALA 15 HB2 ALA 15 37.357 19.351 -2.298
134 HB3 ALA 15 HB3 ALA 15 35.730 20.052 -2.144
135 H ALA 16 HN ALA 16 35.693 16.733 0.957
136 HA ALA 16 HA ALA 16 33.782 15.708 1.738
137 HB1 ALA 16 HB1 ALA 16 31.720 16.817 1.758
138 HB2 ALA 16 HB2 ALA 16 31.994 17.587 0.178
139 HB3 ALA 16 HB3 ALA 16 32.868 18.168 1.615
140 H LEU 17 HN LEU 17 35.189 14.736 -0.474
141 HA LEU 17 HA LEU 17 34.884 13.218 -2.213
142 HB2 LEU 17 HB2 LEU 17 33.159 12.350 -0.443
143 HB3 LEU 17 HB1 LEU 17 31.933 13.055 -1.517
144 HG LEU 17 HG LEU 17 33.267 11.686 -3.408
145 HD11 LEU 17 HD11 LEU 17 35.060 10.905 -1.866
146 HD12 LEU 17 HD12 LEU 17 34.135 9.541 -2.529
147 HD13 LEU 17 HD13 LEU 17 33.837 10.092 -0.865
148 HD21 LEU 17 HD21 LEU 17 30.901 11.317 -2.804
149 HD22 LEU 17 HD22 LEU 17 31.399 10.372 -1.380
150 HD23 LEU 17 HD23 LEU 17 31.738 9.761 -3.016
151 H ASP 18 HN ASP 18 34.586 16.055 -2.664
152 HA ASP 18 HA ASP 18 33.946 17.500 -4.351
153 HB2 ASP 18 HB2 ASP 18 34.922 15.705 -5.774
154 HB3 ASP 18 HB1 ASP 18 33.314 14.951 -5.890
155 H HIS 19 HN HIS 19 31.638 14.892 -5.166
156 HA HIS 19 HA HIS 19 29.444 16.732 -5.386
157 HB2 HIS 19 HB2 HIS 19 29.324 13.727 -4.927
158 HB3 HIS 19 HB1 HIS 19 28.060 14.754 -5.644
159 HD1 HIS 19 HD1 HIS 19 28.739 16.006 -7.959
160 HD2 HIS 19 HD2 HIS 19 31.174 12.787 -6.773
161 HE1 HIS 19 HE1 HIS 19 30.110 15.299 -9.995
162 H LEU 20 HN LEU 20 29.888 14.072 -2.999
163 HA LEU 20 HA LEU 20 29.166 15.814 -0.778
164 HB2 LEU 20 HB2 LEU 20 27.066 14.267 -0.273
165 HB3 LEU 20 HB1 LEU 20 26.904 15.662 -1.363
166 HG LEU 20 HG LEU 20 27.159 14.226 -3.326
167 HD11 LEU 20 HD11 LEU 20 27.689 12.075 -1.236
168 HD12 LEU 20 HD12 LEU 20 28.701 12.541 -2.624
169 HD13 LEU 20 HD13 LEU 20 27.173 11.675 -2.892
170 HD21 LEU 20 HD21 LEU 20 25.104 12.865 -3.066
171 HD22 LEU 20 HD22 LEU 20 24.903 14.470 -2.323
172 HD23 LEU 20 HD23 LEU 20 25.204 13.046 -1.299
Start of MODEL 59
1 H1 TRP 1 HT1 TRP 1 35.639 6.120 15.032
2 H2 TRP 1 HT2 TRP 1 35.598 7.674 15.719
3 H3 TRP 1 HT3 TRP 1 36.835 7.252 14.632
4 HA TRP 1 HA TRP 1 34.021 7.146 13.822
5 HB2 TRP 1 HB2 TRP 1 35.839 9.583 13.673
6 HB3 TRP 1 HB1 TRP 1 34.183 9.452 13.033
7 HD1 TRP 1 HD1 TRP 1 32.461 8.396 15.193
8 HE1 TRP 1 HE1 TRP 1 32.166 9.497 17.531
9 HE3 TRP 1 HE3 TRP 1 36.785 11.133 15.346
10 HZ2 TRP 1 HZ2 TRP 1 33.633 11.319 19.212
11 HZ3 TRP 1 HZ3 TRP 1 37.315 12.545 17.326
12 HH2 TRP 1 HH2 TRP 1 35.746 12.641 19.258
13 H LEU 2 HN LEU 2 35.594 5.248 12.966
14 HA LEU 2 HA LEU 2 36.484 4.305 11.049
15 HB2 LEU 2 HB2 LEU 2 35.768 6.856 9.570
16 HB3 LEU 2 HB1 LEU 2 35.916 5.210 8.921
17 HG LEU 2 HG LEU 2 33.781 6.228 10.848
18 HD11 LEU 2 HD11 LEU 2 32.262 5.647 8.971
19 HD12 LEU 2 HD12 LEU 2 33.668 5.172 7.987
20 HD13 LEU 2 HD13 LEU 2 33.460 6.868 8.485
21 HD21 LEU 2 HD21 LEU 2 32.841 3.844 10.413
22 HD22 LEU 2 HD22 LEU 2 34.208 3.982 11.539
23 HD23 LEU 2 HD23 LEU 2 34.486 3.430 9.870
24 H ARG 3 HN ARG 3 37.657 7.153 12.405
25 HA ARG 3 HA ARG 3 39.825 7.929 12.562
26 HB2 ARG 3 HB2 ARG 3 40.350 5.389 11.981
27 HB3 ARG 3 HB1 ARG 3 40.822 6.053 10.403
28 HG2 ARG 3 HG2 ARG 3 42.864 6.185 11.544
29 HG3 ARG 3 HG1 ARG 3 42.201 7.799 11.889
30 HD2 ARG 3 HD2 ARG 3 41.323 6.952 14.068
31 HD3 ARG 3 HD1 ARG 3 42.018 5.354 13.714
32 HE ARG 3 HE ARG 3 43.467 7.548 14.810
33 HH11 ARG 3 HH11 ARG 3 44.776 5.059 15.096
34 HH12 ARG 3 HH12 ARG 3 46.007 5.043 13.878
35 HH21 ARG 3 HH21 ARG 3 44.576 7.599 12.023
36 HH22 ARG 3 HH22 ARG 3 45.894 6.482 12.138
37 H ARG 4 HN ARG 4 39.165 7.004 9.140
38 HA ARG 4 HA ARG 4 40.501 9.355 8.108
39 HB2 ARG 4 HB2 ARG 4 39.377 8.714 5.959
40 HB3 ARG 4 HB1 ARG 4 40.273 7.377 6.718
41 HG2 ARG 4 HG2 ARG 4 38.181 6.495 7.681
42 HG3 ARG 4 HG1 ARG 4 37.269 7.852 6.977
43 HD2 ARG 4 HD2 ARG 4 37.995 7.129 4.701
44 HD3 ARG 4 HD1 ARG 4 38.825 5.733 5.432
45 HE ARG 4 HE ARG 4 36.191 5.583 6.366
46 HH11 ARG 4 HH11 ARG 4 37.129 3.344 4.810
47 HH12 ARG 4 HH12 ARG 4 36.240 3.451 3.326
48 HH21 ARG 4 HH21 ARG 4 35.322 6.760 3.808
49 HH22 ARG 4 HH22 ARG 4 35.216 5.385 2.760
50 H ILE 5 HN ILE 5 37.540 8.926 9.692
51 HA ILE 5 HA ILE 5 35.716 10.320 9.991
52 HB ILE 5 HB ILE 5 37.398 12.524 8.728
53 HG12 ILE 5 HG12 ILE 5 38.871 11.575 10.346
54 HG13 ILE 5 HG11 ILE 5 38.127 12.959 11.167
55 HG21 ILE 5 HG21 ILE 5 35.188 13.296 9.110
56 HG22 ILE 5 HG22 ILE 5 36.102 13.874 10.518
57 HG23 ILE 5 HG23 ILE 5 35.050 12.449 10.664
58 HD11 ILE 5 HD1 ILE 5 37.488 10.002 11.516
59 HD12 ILE 5 HD2 ILE 5 36.416 11.285 12.123
60 HD13 ILE 5 HD3 ILE 5 38.076 11.151 12.739
61 H GLY 6 HN GLY 6 35.007 8.851 8.082
62 HA2 GLY 6 HA1 GLY 6 33.885 8.658 6.065
63 HA3 GLY 6 HA2 GLY 6 33.300 10.297 6.414
64 H LYS 7 HN LYS 7 36.490 8.910 5.530
65 HA LYS 7 HA LYS 7 37.953 9.485 3.835
66 HB2 LYS 7 HB2 LYS 7 35.851 8.873 2.470
67 HB3 LYS 7 HB1 LYS 7 35.579 10.623 2.320
68 HG2 LYS 7 HG2 LYS 7 36.846 10.240 0.388
69 HG3 LYS 7 HG1 LYS 7 38.143 10.640 1.534
70 HD2 LYS 7 HD2 LYS 7 38.501 8.207 1.956
71 HD3 LYS 7 HD1 LYS 7 37.211 7.827 0.790
72 HE2 LYS 7 HE2 LYS 7 38.494 9.009 -0.988
73 HE3 LYS 7 HE1 LYS 7 39.797 9.324 0.182
74 HZ1 LYS 7 HZ1 LYS 7 38.815 6.655 -0.699
75 HZ2 LYS 7 HZ2 LYS 7 39.988 6.908 0.503
76 HZ3 LYS 7 HZ3 LYS 7 40.301 7.365 -1.101
77 H GLY 8 HN GLY 8 39.339 11.120 3.464
78 HA2 GLY 8 HA1 GLY 8 38.467 13.890 3.324
79 HA3 GLY 8 HA2 GLY 8 39.215 13.503 4.887
80 H VAL 9 HN VAL 9 39.726 13.245 1.357
81 HA VAL 9 HA VAL 9 42.557 12.767 1.565
82 HB VAL 9 HB VAL 9 40.951 13.970 -0.737
83 HG11 VAL 9 HG11 VAL 9 43.769 12.834 -0.524
84 HG12 VAL 9 HG12 VAL 9 43.287 14.455 -1.083
85 HG13 VAL 9 HG13 VAL 9 42.916 13.024 -2.074
86 HG21 VAL 9 HG21 VAL 9 40.266 11.670 0.103
87 HG22 VAL 9 HG22 VAL 9 41.908 11.110 -0.298
88 HG23 VAL 9 HG23 VAL 9 40.832 11.706 -1.585
89 H LYS 10 HN LYS 10 41.311 15.626 -0.149
90 HA LYS 10 HA LYS 10 42.407 17.560 1.693
91 HB2 LYS 10 HB2 LYS 10 44.521 16.486 0.765
92 HB3 LYS 10 HB1 LYS 10 44.056 17.132 -0.825
93 HG2 LYS 10 HG2 LYS 10 43.939 19.432 0.230
94 HG3 LYS 10 HG1 LYS 10 44.621 18.721 1.713
95 HD2 LYS 10 HD2 LYS 10 46.582 17.913 0.376
96 HD3 LYS 10 HD1 LYS 10 45.918 18.751 -1.047
97 HE2 LYS 10 HE2 LYS 10 47.638 20.121 0.138
98 HE3 LYS 10 HE1 LYS 10 46.041 20.906 0.124
99 HZ1 LYS 10 HZ1 LYS 10 45.677 20.359 2.345
100 HZ2 LYS 10 HZ2 LYS 10 47.315 20.815 2.321
101 HZ3 LYS 10 HZ3 LYS 10 46.887 19.172 2.370
102 H ILE 11 HN ILE 11 41.348 16.601 -1.516
103 HA ILE 11 HA ILE 11 40.007 19.271 -1.827
104 HB ILE 11 HB ILE 11 41.372 17.830 -4.140
105 HG12 ILE 11 HG12 ILE 11 42.398 20.147 -2.436
106 HG13 ILE 11 HG11 ILE 11 43.105 18.517 -2.529
107 HG21 ILE 11 HG21 ILE 11 40.522 20.744 -3.874
108 HG22 ILE 11 HG22 ILE 11 39.424 19.484 -4.485
109 HG23 ILE 11 HG23 ILE 11 40.930 19.849 -5.357
110 HD11 ILE 11 HD1 ILE 11 43.303 18.965 -5.089
111 HD12 ILE 11 HD2 ILE 11 44.440 19.806 -4.009
112 HD13 ILE 11 HD3 ILE 11 43.033 20.674 -4.665
113 H ILE 12 HN ILE 12 40.383 15.901 -2.929
114 HA ILE 12 HA ILE 12 37.731 15.839 -4.169
115 HB ILE 12 HB ILE 12 39.633 13.624 -3.335
116 HG12 ILE 12 HG12 ILE 12 39.228 14.596 -6.198
117 HG13 ILE 12 HG11 ILE 12 40.354 15.453 -5.124
118 HG21 ILE 12 HG21 ILE 12 37.092 13.661 -5.017
119 HG22 ILE 12 HG22 ILE 12 37.495 12.605 -3.644
120 HG23 ILE 12 HG23 ILE 12 38.299 12.372 -5.206
121 HD11 ILE 12 HD1 ILE 12 40.486 12.528 -5.975
122 HD12 ILE 12 HD2 ILE 12 41.494 13.218 -4.681
123 HD13 ILE 12 HD3 ILE 12 41.641 13.825 -6.345
124 H GLY 13 HN GLY 13 38.780 13.302 -1.926
125 HA2 GLY 13 HA1 GLY 13 36.251 13.162 -0.594
126 HA3 GLY 13 HA2 GLY 13 37.788 12.497 0.006
127 H GLY 14 HN GLY 14 38.615 15.409 -0.743
128 HA2 GLY 14 HA1 GLY 14 38.488 16.449 2.013
129 HA3 GLY 14 HA2 GLY 14 39.328 17.178 0.626
130 H ALA 15 HN ALA 15 37.311 17.379 -1.275
131 HA ALA 15 HA ALA 15 35.681 19.560 -0.037
132 HB1 ALA 15 HB1 ALA 15 34.988 20.046 -2.324
133 HB2 ALA 15 HB2 ALA 15 35.769 18.561 -2.912
134 HB3 ALA 15 HB3 ALA 15 36.758 19.894 -2.263
135 H ALA 16 HN ALA 16 35.412 16.703 0.639
136 HA ALA 16 HA ALA 16 33.627 15.377 1.268
137 HB1 ALA 16 HB1 ALA 16 31.660 16.970 -0.388
138 HB2 ALA 16 HB2 ALA 16 32.322 17.663 1.111
139 HB3 ALA 16 HB3 ALA 16 31.418 16.132 1.162
140 H LEU 17 HN LEU 17 35.358 14.869 -0.940
141 HA LEU 17 HA LEU 17 35.456 13.462 -2.792
142 HB2 LEU 17 HB2 LEU 17 33.907 12.188 -0.967
143 HB3 LEU 17 HB1 LEU 17 32.708 12.330 -2.267
144 HG LEU 17 HG LEU 17 35.501 11.118 -2.576
145 HD11 LEU 17 HD11 LEU 17 33.871 9.817 -1.133
146 HD12 LEU 17 HD12 LEU 17 34.391 8.967 -2.607
147 HD13 LEU 17 HD13 LEU 17 32.785 9.736 -2.539
148 HD21 LEU 17 HD21 LEU 17 33.091 11.288 -4.444
149 HD22 LEU 17 HD22 LEU 17 34.540 10.304 -4.752
150 HD23 LEU 17 HD23 LEU 17 34.670 12.076 -4.674
151 H ASP 18 HN ASP 18 34.701 16.012 -3.394
152 HA ASP 18 HA ASP 18 33.658 17.282 -5.028
153 HB2 ASP 18 HB2 ASP 18 33.452 14.555 -6.362
154 HB3 ASP 18 HB1 ASP 18 33.166 16.111 -7.175
155 H HIS 19 HN HIS 19 31.739 14.375 -5.736
156 HA HIS 19 HA HIS 19 29.400 15.397 -4.261
157 HB2 HIS 19 HB2 HIS 19 29.402 16.752 -6.374
158 HB3 HIS 19 HB1 HIS 19 29.301 15.234 -7.300
159 HD1 HIS 19 HD1 HIS 19 26.959 14.788 -8.010
160 HD2 HIS 19 HD2 HIS 19 27.138 16.504 -4.174
161 HE1 HIS 19 HE1 HIS 19 24.560 14.993 -7.154
162 H LEU 20 HN LEU 20 30.946 13.032 -4.078
163 HA LEU 20 HA LEU 20 30.673 10.734 -4.015
164 HB2 LEU 20 HB2 LEU 20 28.520 11.543 -2.897
165 HB3 LEU 20 HB1 LEU 20 27.721 11.294 -4.463
166 HG LEU 20 HG LEU 20 28.783 8.866 -4.334
167 HD11 LEU 20 HD11 LEU 20 28.826 9.761 -1.413
168 HD12 LEU 20 HD12 LEU 20 30.200 9.163 -2.372
169 HD13 LEU 20 HD13 LEU 20 28.875 8.064 -1.936
170 HD21 LEU 20 HD21 LEU 20 26.787 8.068 -3.073
171 HD22 LEU 20 HD22 LEU 20 26.362 9.325 -4.261
172 HD23 LEU 20 HD23 LEU 20 26.477 9.736 -2.533
Start of MODEL 60
1 H1 TRP 1 HT1 TRP 1 44.949 8.354 4.730
2 H2 TRP 1 HT2 TRP 1 46.434 8.111 3.940
3 H3 TRP 1 HT3 TRP 1 45.877 9.688 4.248
4 HA TRP 1 HA TRP 1 47.619 8.345 5.757
5 HB2 TRP 1 HB2 TRP 1 45.646 10.474 6.673
6 HB3 TRP 1 HB1 TRP 1 47.230 10.116 7.402
7 HD1 TRP 1 HD1 TRP 1 45.620 11.643 4.285
8 HE1 TRP 1 HE1 TRP 1 47.389 13.033 2.981
9 HE3 TRP 1 HE3 TRP 1 49.790 10.365 6.968
10 HZ2 TRP 1 HZ2 TRP 1 50.227 13.505 3.112
11 HZ3 TRP 1 HZ3 TRP 1 52.017 11.297 6.360
12 HH2 TRP 1 HH2 TRP 1 52.240 12.865 4.437
13 H LEU 2 HN LEU 2 47.010 6.220 6.240
14 HA LEU 2 HA LEU 2 46.177 4.569 7.626
15 HB2 LEU 2 HB2 LEU 2 45.173 6.762 9.463
16 HB3 LEU 2 HB1 LEU 2 45.613 5.094 9.884
17 HG LEU 2 HG LEU 2 47.541 7.220 8.842
18 HD11 LEU 2 HD11 LEU 2 46.797 7.672 11.141
19 HD12 LEU 2 HD12 LEU 2 48.479 7.091 11.150
20 HD13 LEU 2 HD13 LEU 2 47.155 5.992 11.608
21 HD21 LEU 2 HD21 LEU 2 49.229 5.410 9.667
22 HD22 LEU 2 HD22 LEU 2 48.399 5.114 8.125
23 HD23 LEU 2 HD23 LEU 2 47.849 4.286 9.601
24 H ARG 3 HN ARG 3 44.193 6.893 6.191
25 HA ARG 3 HA ARG 3 41.994 6.830 5.500
26 HB2 ARG 3 HB2 ARG 3 41.903 3.934 6.402
27 HB3 ARG 3 HB1 ARG 3 40.942 4.724 5.132
28 HG2 ARG 3 HG2 ARG 3 43.080 5.170 3.875
29 HG3 ARG 3 HG1 ARG 3 43.943 4.200 5.092
30 HD2 ARG 3 HD2 ARG 3 42.616 2.231 4.546
31 HD3 ARG 3 HD1 ARG 3 41.589 3.179 3.446
32 HE ARG 3 HE ARG 3 44.380 3.343 2.677
33 HH11 ARG 3 HH11 ARG 3 42.153 3.098 0.723
34 HH12 ARG 3 HH12 ARG 3 42.338 1.475 0.145
35 HH21 ARG 3 HH21 ARG 3 44.375 0.487 2.772
36 HH22 ARG 3 HH22 ARG 3 43.595 -0.002 1.305
37 H ARG 4 HN ARG 4 42.840 6.000 8.743
38 HA ARG 4 HA ARG 4 40.015 6.165 9.686
39 HB2 ARG 4 HB2 ARG 4 41.636 4.439 10.584
40 HB3 ARG 4 HB1 ARG 4 42.566 5.778 11.300
41 HG2 ARG 4 HG2 ARG 4 40.614 6.483 12.607
42 HG3 ARG 4 HG1 ARG 4 39.613 5.229 11.834
43 HD2 ARG 4 HD2 ARG 4 40.432 4.533 14.093
44 HD3 ARG 4 HD1 ARG 4 41.020 3.463 12.797
45 HE ARG 4 HE ARG 4 42.937 5.554 13.253
46 HH11 ARG 4 HH11 ARG 4 41.514 2.809 14.778
47 HH12 ARG 4 HH12 ARG 4 42.960 2.358 15.617
48 HH21 ARG 4 HH21 ARG 4 44.855 4.938 14.284
49 HH22 ARG 4 HH22 ARG 4 44.852 3.564 15.339
50 H ILE 5 HN ILE 5 43.180 7.809 9.977
51 HA ILE 5 HA ILE 5 41.959 10.000 11.564
52 HB ILE 5 HB ILE 5 44.758 9.836 10.371
53 HG12 ILE 5 HG12 ILE 5 44.509 7.861 11.718
54 HG13 ILE 5 HG11 ILE 5 45.412 9.024 12.704
55 HG21 ILE 5 HG21 ILE 5 43.409 11.603 12.442
56 HG22 ILE 5 HG22 ILE 5 44.429 12.058 11.064
57 HG23 ILE 5 HG23 ILE 5 45.164 11.327 12.506
58 HD11 ILE 5 HD1 ILE 5 43.785 8.128 14.184
59 HD12 ILE 5 HD2 ILE 5 42.504 8.179 12.952
60 HD13 ILE 5 HD3 ILE 5 43.091 9.686 13.688
61 H GLY 6 HN GLY 6 43.056 9.335 8.263
62 HA2 GLY 6 HA1 GLY 6 43.190 11.950 7.248
63 HA3 GLY 6 HA2 GLY 6 42.692 10.526 6.312
64 H LYS 7 HN LYS 7 40.368 9.786 6.775
65 HA LYS 7 HA LYS 7 38.134 10.326 6.435
66 HB2 LYS 7 HB2 LYS 7 38.633 12.510 8.486
67 HB3 LYS 7 HB1 LYS 7 37.111 11.647 8.157
68 HG2 LYS 7 HG2 LYS 7 38.369 9.491 8.799
69 HG3 LYS 7 HG1 LYS 7 39.653 10.551 9.425
70 HD2 LYS 7 HD2 LYS 7 36.727 10.654 10.284
71 HD3 LYS 7 HD1 LYS 7 38.033 9.871 11.203
72 HE2 LYS 7 HE2 LYS 7 39.232 12.176 11.103
73 HE3 LYS 7 HE1 LYS 7 37.651 12.827 10.610
74 HZ1 LYS 7 HZ1 LYS 7 38.201 11.270 13.088
75 HZ2 LYS 7 HZ2 LYS 7 36.684 11.871 12.613
76 HZ3 LYS 7 HZ3 LYS 7 37.942 12.944 13.002
77 H GLY 8 HN GLY 8 40.386 11.972 5.049
78 HA2 GLY 8 HA1 GLY 8 38.684 13.503 3.379
79 HA3 GLY 8 HA2 GLY 8 39.353 14.600 4.603
80 H VAL 9 HN VAL 9 39.811 13.193 1.581
81 HA VAL 9 HA VAL 9 42.659 12.907 1.514
82 HB VAL 9 HB VAL 9 40.740 13.667 -0.736
83 HG11 VAL 9 HG11 VAL 9 42.988 14.207 -1.429
84 HG12 VAL 9 HG12 VAL 9 42.607 12.625 -2.144
85 HG13 VAL 9 HG13 VAL 9 43.637 12.722 -0.696
86 HG21 VAL 9 HG21 VAL 9 40.191 11.522 0.368
87 HG22 VAL 9 HG22 VAL 9 41.879 10.987 0.181
88 HG23 VAL 9 HG23 VAL 9 40.861 11.238 -1.258
89 H LYS 10 HN LYS 10 41.180 15.388 -0.541
90 HA LYS 10 HA LYS 10 42.242 17.651 0.896
91 HB2 LYS 10 HB2 LYS 10 44.383 16.524 0.089
92 HB3 LYS 10 HB1 LYS 10 43.845 16.875 -1.570
93 HG2 LYS 10 HG2 LYS 10 43.696 19.296 -0.988
94 HG3 LYS 10 HG1 LYS 10 44.300 18.924 0.645
95 HD2 LYS 10 HD2 LYS 10 46.339 17.868 -0.471
96 HD3 LYS 10 HD1 LYS 10 45.760 18.564 -2.004
97 HE2 LYS 10 HE2 LYS 10 47.352 20.121 -1.044
98 HE3 LYS 10 HE1 LYS 10 45.728 20.830 -0.870
99 HZ1 LYS 10 HZ1 LYS 10 46.485 19.138 1.334
100 HZ2 LYS 10 HZ2 LYS 10 45.850 20.715 1.341
101 HZ3 LYS 10 HZ3 LYS 10 47.519 20.468 1.139
102 H ILE 11 HN ILE 11 41.003 16.106 -1.986
103 HA ILE 11 HA ILE 11 39.789 18.737 -2.829
104 HB ILE 11 HB ILE 11 40.667 16.557 -4.764
105 HG12 ILE 11 HG12 ILE 11 42.159 19.069 -3.871
106 HG13 ILE 11 HG11 ILE 11 42.675 17.385 -3.616
107 HG21 ILE 11 HG21 ILE 11 38.877 18.316 -5.359
108 HG22 ILE 11 HG22 ILE 11 40.278 18.220 -6.449
109 HG23 ILE 11 HG23 ILE 11 40.176 19.527 -5.243
110 HD11 ILE 11 HD1 ILE 11 42.551 17.161 -6.209
111 HD12 ILE 11 HD2 ILE 11 43.909 18.084 -5.520
112 HD13 ILE 11 HD3 ILE 11 42.516 18.942 -6.219
113 H ILE 12 HN ILE 12 39.654 15.163 -3.079
114 HA ILE 12 HA ILE 12 36.796 15.266 -3.825
115 HB ILE 12 HB ILE 12 38.642 12.955 -3.122
116 HG12 ILE 12 HG12 ILE 12 37.686 13.607 -5.941
117 HG13 ILE 12 HG11 ILE 12 39.064 14.499 -5.261
118 HG21 ILE 12 HG21 ILE 12 35.757 13.098 -4.063
119 HG22 ILE 12 HG22 ILE 12 36.498 12.018 -2.859
120 HG23 ILE 12 HG23 ILE 12 36.759 11.727 -4.588
121 HD11 ILE 12 HD1 ILE 12 39.894 12.572 -6.510
122 HD12 ILE 12 HD2 ILE 12 38.854 11.469 -5.582
123 HD13 ILE 12 HD3 ILE 12 40.196 12.313 -4.777
124 H GLY 13 HN GLY 13 37.968 12.827 -1.566
125 HA2 GLY 13 HA1 GLY 13 35.810 13.192 0.258
126 HA3 GLY 13 HA2 GLY 13 37.347 12.376 0.623
127 H GLY 14 HN GLY 14 38.331 15.071 -0.600
128 HA2 GLY 14 HA1 GLY 14 38.875 16.375 1.988
129 HA3 GLY 14 HA2 GLY 14 39.514 16.837 0.394
130 H ALA 15 HN ALA 15 37.257 17.167 -1.159
131 HA ALA 15 HA ALA 15 36.095 19.611 0.142
132 HB1 ALA 15 HB1 ALA 15 36.906 19.592 -2.270
133 HB2 ALA 15 HB2 ALA 15 35.237 20.155 -2.026
134 HB3 ALA 15 HB3 ALA 15 35.538 18.513 -2.638
135 H ALA 16 HN ALA 16 35.617 16.892 1.083
136 HA ALA 16 HA ALA 16 33.821 15.757 1.984
137 HB1 ALA 16 HB1 ALA 16 31.720 16.778 2.192
138 HB2 ALA 16 HB2 ALA 16 31.846 17.603 0.621
139 HB3 ALA 16 HB3 ALA 16 32.805 18.174 2.007
140 H LEU 17 HN LEU 17 35.059 14.771 -0.224
141 HA LEU 17 HA LEU 17 34.707 13.231 -1.928
142 HB2 LEU 17 HB2 LEU 17 31.762 13.214 -1.158
143 HB3 LEU 17 HB1 LEU 17 32.644 11.968 -2.055
144 HG LEU 17 HG LEU 17 33.553 12.734 0.748
145 HD11 LEU 17 HD11 LEU 17 32.102 10.943 1.653
146 HD12 LEU 17 HD12 LEU 17 31.366 10.726 0.046
147 HD13 LEU 17 HD13 LEU 17 31.135 12.252 0.934
148 HD21 LEU 17 HD21 LEU 17 34.388 10.427 0.754
149 HD22 LEU 17 HD22 LEU 17 34.949 11.233 -0.727
150 HD23 LEU 17 HD23 LEU 17 33.584 10.097 -0.797
151 H ASP 18 HN ASP 18 33.692 16.285 -1.938
152 HA ASP 18 HA ASP 18 32.986 17.748 -3.584
153 HB2 ASP 18 HB2 ASP 18 34.840 16.624 -4.836
154 HB3 ASP 18 HB1 ASP 18 33.650 15.487 -5.508
155 H HIS 19 HN HIS 19 32.011 14.743 -5.263
156 HA HIS 19 HA HIS 19 29.182 15.144 -4.569
157 HB2 HIS 19 HB2 HIS 19 28.416 15.510 -6.873
158 HB3 HIS 19 HB1 HIS 19 29.498 16.829 -6.366
159 HD1 HIS 19 HD1 HIS 19 29.248 16.415 -9.350
160 HD2 HIS 19 HD2 HIS 19 31.998 14.240 -7.031
161 HE1 HIS 19 HE1 HIS 19 31.115 15.636 -10.912
162 H LEU 20 HN LEU 20 30.584 13.005 -3.899
163 HA LEU 20 HA LEU 20 29.279 10.892 -5.400
164 HB2 LEU 20 HB2 LEU 20 31.063 11.196 -6.993
165 HB3 LEU 20 HB1 LEU 20 32.283 11.275 -5.704
166 HG LEU 20 HG LEU 20 31.989 8.928 -5.173
167 HD11 LEU 20 HD11 LEU 20 29.592 9.138 -7.038
168 HD12 LEU 20 HD12 LEU 20 29.639 8.565 -5.353
169 HD13 LEU 20 HD13 LEU 20 30.340 7.570 -6.649
170 HD21 LEU 20 HD21 LEU 20 33.394 9.513 -7.160
171 HD22 LEU 20 HD22 LEU 20 31.975 9.265 -8.206
172 HD23 LEU 20 HD23 LEU 20 32.661 7.898 -7.295
Start of MODEL 61
1 H1 TRP 1 HT1 TRP 1 40.135 1.846 6.783
2 H2 TRP 1 HT2 TRP 1 41.222 1.291 7.967
3 H3 TRP 1 HT3 TRP 1 41.415 0.825 6.344
4 HA TRP 1 HA TRP 1 42.969 2.558 7.141
5 HB2 TRP 1 HB2 TRP 1 41.111 3.313 4.851
6 HB3 TRP 1 HB1 TRP 1 42.792 3.852 5.077
7 HD1 TRP 1 HD1 TRP 1 40.725 1.031 3.727
8 HE1 TRP 1 HE1 TRP 1 42.248 -0.855 2.787
9 HE3 TRP 1 HE3 TRP 1 45.228 2.649 5.546
10 HZ2 TRP 1 HZ2 TRP 1 45.045 -1.539 2.837
11 HZ3 TRP 1 HZ3 TRP 1 47.312 1.365 5.088
12 HH2 TRP 1 HH2 TRP 1 47.224 -0.726 3.736
13 H LEU 2 HN LEU 2 41.651 3.089 9.252
14 HA LEU 2 HA LEU 2 40.873 4.789 10.623
15 HB2 LEU 2 HB2 LEU 2 41.370 6.705 8.326
16 HB3 LEU 2 HB1 LEU 2 41.375 7.053 10.069
17 HG LEU 2 HG LEU 2 43.379 5.311 8.564
18 HD11 LEU 2 HD11 LEU 2 44.969 7.061 9.073
19 HD12 LEU 2 HD12 LEU 2 43.786 7.914 10.095
20 HD13 LEU 2 HD13 LEU 2 43.547 7.834 8.332
21 HD21 LEU 2 HD21 LEU 2 42.944 5.866 11.527
22 HD22 LEU 2 HD22 LEU 2 44.544 5.407 10.893
23 HD23 LEU 2 HD23 LEU 2 43.167 4.300 10.711
24 H ARG 3 HN ARG 3 39.409 3.965 7.729
25 HA ARG 3 HA ARG 3 37.188 3.982 7.101
26 HB2 ARG 3 HB2 ARG 3 36.860 3.934 9.707
27 HB3 ARG 3 HB1 ARG 3 36.428 5.649 9.524
28 HG2 ARG 3 HG2 ARG 3 34.718 4.999 7.812
29 HG3 ARG 3 HG1 ARG 3 35.104 3.288 8.118
30 HD2 ARG 3 HD2 ARG 3 33.145 3.924 9.444
31 HD3 ARG 3 HD1 ARG 3 34.523 3.630 10.532
32 HE ARG 3 HE ARG 3 34.485 6.405 9.863
33 HH11 ARG 3 HH11 ARG 3 31.761 6.720 10.255
34 HH12 ARG 3 HH12 ARG 3 31.496 6.644 11.966
35 HH21 ARG 3 HH21 ARG 3 34.547 5.141 12.642
36 HH22 ARG 3 HH22 ARG 3 33.072 5.751 13.316
37 H ARG 4 HN ARG 4 37.491 7.115 8.847
38 HA ARG 4 HA ARG 4 36.214 8.562 6.701
39 HB2 ARG 4 HB2 ARG 4 37.942 9.518 9.017
40 HB3 ARG 4 HB1 ARG 4 36.992 10.580 7.949
41 HG2 ARG 4 HG2 ARG 4 34.916 9.481 8.622
42 HG3 ARG 4 HG1 ARG 4 35.821 8.295 9.593
43 HD2 ARG 4 HD2 ARG 4 36.600 10.032 11.105
44 HD3 ARG 4 HD1 ARG 4 35.904 11.303 10.072
45 HE ARG 4 HE ARG 4 33.760 9.619 10.746
46 HH11 ARG 4 HH11 ARG 4 32.994 12.072 11.575
47 HH12 ARG 4 HH12 ARG 4 33.353 12.206 13.264
48 HH21 ARG 4 HH21 ARG 4 35.583 9.549 13.270
49 HH22 ARG 4 HH22 ARG 4 34.820 10.776 14.224
50 H ILE 5 HN ILE 5 39.162 7.077 6.755
51 HA ILE 5 HA ILE 5 41.089 7.312 5.489
52 HB ILE 5 HB ILE 5 39.476 9.204 3.729
53 HG12 ILE 5 HG12 ILE 5 38.028 7.328 3.977
54 HG13 ILE 5 HG11 ILE 5 38.887 7.035 2.454
55 HG21 ILE 5 HG21 ILE 5 41.898 7.411 3.301
56 HG22 ILE 5 HG22 ILE 5 41.744 9.159 3.031
57 HG23 ILE 5 HG23 ILE 5 40.922 8.019 1.945
58 HD11 ILE 5 HD1 ILE 5 39.368 5.730 5.162
59 HD12 ILE 5 HD2 ILE 5 40.540 5.614 3.831
60 HD13 ILE 5 HD3 ILE 5 38.905 4.951 3.634
61 H GLY 6 HN GLY 6 41.733 8.591 7.504
62 HA2 GLY 6 HA1 GLY 6 42.828 10.413 8.416
63 HA3 GLY 6 HA2 GLY 6 43.372 10.739 6.759
64 H LYS 7 HN LYS 7 40.001 10.764 7.853
65 HA LYS 7 HA LYS 7 38.430 12.470 7.771
66 HB2 LYS 7 HB2 LYS 7 39.906 13.190 9.716
67 HB3 LYS 7 HB1 LYS 7 40.726 14.291 8.584
68 HG2 LYS 7 HG2 LYS 7 38.503 15.323 8.042
69 HG3 LYS 7 HG1 LYS 7 37.758 14.291 9.287
70 HD2 LYS 7 HD2 LYS 7 39.216 15.286 11.011
71 HD3 LYS 7 HD1 LYS 7 40.007 16.294 9.774
72 HE2 LYS 7 HE2 LYS 7 37.729 17.271 9.236
73 HE3 LYS 7 HE1 LYS 7 37.090 16.398 10.650
74 HZ1 LYS 7 HZ1 LYS 7 39.466 18.130 10.925
75 HZ2 LYS 7 HZ2 LYS 7 38.326 17.674 12.099
76 HZ3 LYS 7 HZ3 LYS 7 37.917 18.820 10.914
77 H GLY 8 HN GLY 8 38.352 12.209 5.425
78 HA2 GLY 8 HA1 GLY 8 38.236 13.156 3.319
79 HA3 GLY 8 HA2 GLY 8 38.523 14.728 4.089
80 H VAL 9 HN VAL 9 39.513 13.471 1.531
81 HA VAL 9 HA VAL 9 42.341 12.957 1.922
82 HB VAL 9 HB VAL 9 40.812 13.760 -0.598
83 HG11 VAL 9 HG11 VAL 9 43.633 12.714 -0.116
84 HG12 VAL 9 HG12 VAL 9 43.156 14.214 -0.945
85 HG13 VAL 9 HG13 VAL 9 42.831 12.637 -1.702
86 HG21 VAL 9 HG21 VAL 9 41.673 11.060 0.536
87 HG22 VAL 9 HG22 VAL 9 40.967 11.306 -1.079
88 HG23 VAL 9 HG23 VAL 9 40.003 11.655 0.375
89 H LYS 10 HN LYS 10 41.258 15.475 -0.336
90 HA LYS 10 HA LYS 10 42.222 17.693 1.247
91 HB2 LYS 10 HB2 LYS 10 44.390 16.493 0.703
92 HB3 LYS 10 HB1 LYS 10 44.068 16.840 -1.014
93 HG2 LYS 10 HG2 LYS 10 43.983 19.262 -0.517
94 HG3 LYS 10 HG1 LYS 10 44.293 18.924 1.204
95 HD2 LYS 10 HD2 LYS 10 46.468 17.937 0.657
96 HD3 LYS 10 HD1 LYS 10 46.154 18.149 -1.083
97 HE2 LYS 10 HE2 LYS 10 47.571 19.981 -0.340
98 HE3 LYS 10 HE1 LYS 10 45.948 20.631 -0.677
99 HZ1 LYS 10 HZ1 LYS 10 47.337 20.304 1.871
100 HZ2 LYS 10 HZ2 LYS 10 45.667 19.987 1.876
101 HZ3 LYS 10 HZ3 LYS 10 46.248 21.504 1.373
102 H ILE 11 HN ILE 11 41.219 16.224 -1.761
103 HA ILE 11 HA ILE 11 40.224 18.916 -2.692
104 HB ILE 11 HB ILE 11 41.261 16.755 -4.565
105 HG12 ILE 11 HG12 ILE 11 42.716 19.186 -3.427
106 HG13 ILE 11 HG11 ILE 11 43.146 17.479 -3.175
107 HG21 ILE 11 HG21 ILE 11 41.132 18.470 -6.239
108 HG22 ILE 11 HG22 ILE 11 40.923 19.749 -5.020
109 HG23 ILE 11 HG23 ILE 11 39.612 18.585 -5.324
110 HD11 ILE 11 HD1 ILE 11 43.318 17.343 -5.772
111 HD12 ILE 11 HD2 ILE 11 44.615 18.191 -4.898
112 HD13 ILE 11 HD3 ILE 11 43.343 19.124 -5.720
113 H ILE 12 HN ILE 12 40.012 15.356 -2.994
114 HA ILE 12 HA ILE 12 37.242 15.582 -4.054
115 HB ILE 12 HB ILE 12 38.968 13.169 -3.386
116 HG12 ILE 12 HG12 ILE 12 38.321 14.098 -6.217
117 HG13 ILE 12 HG11 ILE 12 39.648 14.875 -5.328
118 HG21 ILE 12 HG21 ILE 12 36.723 12.384 -3.398
119 HG22 ILE 12 HG22 ILE 12 37.246 12.085 -5.066
120 HG23 ILE 12 HG23 ILE 12 36.236 13.500 -4.694
121 HD11 ILE 12 HD1 ILE 12 40.652 12.601 -4.928
122 HD12 ILE 12 HD2 ILE 12 40.561 13.046 -6.648
123 HD13 ILE 12 HD3 ILE 12 39.387 11.902 -5.963
124 H GLY 13 HN GLY 13 38.191 12.946 -1.906
125 HA2 GLY 13 HA1 GLY 13 35.891 13.201 -0.243
126 HA3 GLY 13 HA2 GLY 13 37.388 12.337 0.180
127 H GLY 14 HN GLY 14 38.534 15.080 -0.723
128 HA2 GLY 14 HA1 GLY 14 38.848 16.172 1.997
129 HA3 GLY 14 HA2 GLY 14 39.645 16.735 0.512
130 H ALA 15 HN ALA 15 37.576 17.250 -1.220
131 HA ALA 15 HA ALA 15 36.376 19.645 0.112
132 HB1 ALA 15 HB1 ALA 15 37.330 19.707 -2.233
133 HB2 ALA 15 HB2 ALA 15 35.653 20.283 -2.088
134 HB3 ALA 15 HB3 ALA 15 35.980 18.659 -2.735
135 H ALA 16 HN ALA 16 35.716 16.919 0.930
136 HA ALA 16 HA ALA 16 33.806 15.888 1.716
137 HB1 ALA 16 HB1 ALA 16 31.739 16.981 1.743
138 HB2 ALA 16 HB2 ALA 16 31.998 17.750 0.160
139 HB3 ALA 16 HB3 ALA 16 32.871 18.344 1.593
140 H LEU 17 HN LEU 17 35.233 14.994 -0.565
141 HA LEU 17 HA LEU 17 34.936 13.555 -2.372
142 HB2 LEU 17 HB2 LEU 17 33.239 12.701 -0.369
143 HB3 LEU 17 HB1 LEU 17 32.087 12.893 -1.704
144 HG LEU 17 HG LEU 17 34.678 11.272 -1.838
145 HD11 LEU 17 HD11 LEU 17 33.221 9.308 -1.762
146 HD12 LEU 17 HD12 LEU 17 31.776 10.343 -1.689
147 HD13 LEU 17 HD13 LEU 17 32.920 10.313 -0.326
148 HD21 LEU 17 HD21 LEU 17 32.359 11.698 -3.774
149 HD22 LEU 17 HD22 LEU 17 33.559 10.395 -3.948
150 HD23 LEU 17 HD23 LEU 17 34.074 12.095 -4.037
151 H ASP 18 HN ASP 18 33.740 16.448 -2.274
152 HA ASP 18 HA ASP 18 32.658 17.852 -3.764
153 HB2 ASP 18 HB2 ASP 18 34.353 16.960 -5.312
154 HB3 ASP 18 HB1 ASP 18 33.276 15.605 -5.724
155 H HIS 19 HN HIS 19 31.645 14.861 -5.420
156 HA HIS 19 HA HIS 19 28.935 15.678 -5.653
157 HB2 HIS 19 HB2 HIS 19 30.085 12.859 -5.612
158 HB3 HIS 19 HB1 HIS 19 28.483 13.320 -6.235
159 HD1 HIS 19 HD1 HIS 19 31.977 12.927 -7.248
160 HD2 HIS 19 HD2 HIS 19 28.695 15.233 -8.512
161 HE1 HIS 19 HE1 HIS 19 32.531 13.830 -9.573
162 H LEU 20 HN LEU 20 30.689 14.365 -2.974
163 HA LEU 20 HA LEU 20 30.012 13.686 -0.868
164 HB2 LEU 20 HB2 LEU 20 29.165 16.015 -0.843
165 HB3 LEU 20 HB1 LEU 20 27.622 15.458 -1.523
166 HG LEU 20 HG LEU 20 27.262 14.026 0.492
167 HD11 LEU 20 HD11 LEU 20 28.837 14.719 2.507
168 HD12 LEU 20 HD12 LEU 20 29.991 15.146 1.221
169 HD13 LEU 20 HD13 LEU 20 29.388 13.477 1.362
170 HD21 LEU 20 HD21 LEU 20 26.378 16.341 0.391
171 HD22 LEU 20 HD22 LEU 20 27.890 16.949 1.106
172 HD23 LEU 20 HD23 LEU 20 26.818 15.892 2.055
Start of MODEL 62
1 H1 TRP 1 HT1 TRP 1 38.518 -0.073 8.613
2 H2 TRP 1 HT2 TRP 1 37.584 -0.831 9.814
3 H3 TRP 1 HT3 TRP 1 39.150 -0.278 10.172
4 HA TRP 1 HA TRP 1 37.442 1.752 9.124
5 HB2 TRP 1 HB2 TRP 1 36.822 0.692 11.903
6 HB3 TRP 1 HB1 TRP 1 35.958 1.947 10.981
7 HD1 TRP 1 HD1 TRP 1 35.444 0.673 8.273
8 HE1 TRP 1 HE1 TRP 1 33.951 -1.433 7.957
9 HE3 TRP 1 HE3 TRP 1 35.709 -1.226 13.020
10 HZ2 TRP 1 HZ2 TRP 1 33.017 -3.627 9.571
11 HZ3 TRP 1 HZ3 TRP 1 34.509 -3.326 13.610
12 HH2 TRP 1 HH2 TRP 1 33.165 -4.528 11.890
13 H LEU 2 HN LEU 2 39.019 3.241 9.156
14 HA LEU 2 HA LEU 2 41.072 3.277 11.210
15 HB2 LEU 2 HB2 LEU 2 41.609 4.117 9.010
16 HB3 LEU 2 HB1 LEU 2 40.244 5.253 9.049
17 HG LEU 2 HG LEU 2 41.306 6.581 10.785
18 HD11 LEU 2 HD11 LEU 2 43.271 4.258 10.894
19 HD12 LEU 2 HD12 LEU 2 42.333 4.981 12.224
20 HD13 LEU 2 HD13 LEU 2 43.697 5.872 11.514
21 HD21 LEU 2 HD21 LEU 2 43.452 5.799 8.767
22 HD22 LEU 2 HD22 LEU 2 43.260 7.369 9.583
23 HD23 LEU 2 HD23 LEU 2 42.060 6.839 8.381
24 H ARG 3 HN ARG 3 38.911 5.956 10.302
25 HA ARG 3 HA ARG 3 37.922 6.240 13.075
26 HB2 ARG 3 HB2 ARG 3 40.133 7.427 13.081
27 HB3 ARG 3 HB1 ARG 3 39.548 8.456 11.752
28 HG2 ARG 3 HG2 ARG 3 37.807 9.397 13.127
29 HG3 ARG 3 HG1 ARG 3 38.084 8.194 14.410
30 HD2 ARG 3 HD2 ARG 3 40.230 9.141 14.955
31 HD3 ARG 3 HD1 ARG 3 40.214 10.170 13.501
32 HE ARG 3 HE ARG 3 37.954 10.686 15.285
33 HH11 ARG 3 HH11 ARG 3 37.920 13.034 15.386
34 HH12 ARG 3 HH12 ARG 3 39.402 13.819 15.823
35 HH21 ARG 3 HH21 ARG 3 41.324 10.951 15.504
36 HH22 ARG 3 HH22 ARG 3 41.329 12.640 15.890
37 H ARG 4 HN ARG 4 37.845 6.613 9.715
38 HA ARG 4 HA ARG 4 35.063 7.501 9.787
39 HB2 ARG 4 HB2 ARG 4 36.577 9.632 9.951
40 HB3 ARG 4 HB1 ARG 4 36.971 9.303 8.249
41 HG2 ARG 4 HG2 ARG 4 34.579 9.394 7.655
42 HG3 ARG 4 HG1 ARG 4 34.147 9.642 9.364
43 HD2 ARG 4 HD2 ARG 4 35.448 11.749 9.389
44 HD3 ARG 4 HD1 ARG 4 35.880 11.504 7.681
45 HE ARG 4 HE ARG 4 33.397 12.604 8.621
46 HH11 ARG 4 HH11 ARG 4 34.170 13.215 5.918
47 HH12 ARG 4 HH12 ARG 4 33.163 12.200 4.942
48 HH21 ARG 4 HH21 ARG 4 32.330 10.069 7.547
49 HH22 ARG 4 HH22 ARG 4 32.122 10.418 5.863
50 H ILE 5 HN ILE 5 37.446 5.632 8.696
51 HA ILE 5 HA ILE 5 37.688 4.248 6.864
52 HB ILE 5 HB ILE 5 34.919 5.132 5.949
53 HG12 ILE 5 HG12 ILE 5 35.712 3.069 8.055
54 HG13 ILE 5 HG11 ILE 5 34.797 4.569 8.338
55 HG21 ILE 5 HG21 ILE 5 34.839 2.990 4.880
56 HG22 ILE 5 HG22 ILE 5 36.271 2.410 5.764
57 HG23 ILE 5 HG23 ILE 5 36.446 3.647 4.498
58 HD11 ILE 5 HD1 ILE 5 33.922 2.071 6.851
59 HD12 ILE 5 HD2 ILE 5 33.104 3.633 6.593
60 HD13 ILE 5 HD3 ILE 5 33.122 2.892 8.210
61 H GLY 6 HN GLY 6 35.560 6.667 5.284
62 HA2 GLY 6 HA1 GLY 6 37.553 6.976 3.138
63 HA3 GLY 6 HA2 GLY 6 35.938 7.708 3.218
64 H LYS 7 HN LYS 7 38.997 7.818 5.105
65 HA LYS 7 HA LYS 7 38.673 10.394 6.161
66 HB2 LYS 7 HB2 LYS 7 40.527 8.709 6.640
67 HB3 LYS 7 HB1 LYS 7 41.323 9.291 5.159
68 HG2 LYS 7 HG2 LYS 7 41.429 11.564 6.050
69 HG3 LYS 7 HG1 LYS 7 40.502 11.078 7.490
70 HD2 LYS 7 HD2 LYS 7 42.313 9.474 8.094
71 HD3 LYS 7 HD1 LYS 7 43.252 10.032 6.688
72 HE2 LYS 7 HE2 LYS 7 42.346 11.746 9.043
73 HE3 LYS 7 HE1 LYS 7 44.009 11.202 8.715
74 HZ1 LYS 7 HZ1 LYS 7 43.662 12.352 6.464
75 HZ2 LYS 7 HZ2 LYS 7 43.931 13.330 7.828
76 HZ3 LYS 7 HZ3 LYS 7 42.360 13.143 7.209
77 H GLY 8 HN GLY 8 38.516 12.366 5.333
78 HA2 GLY 8 HA1 GLY 8 38.470 12.921 2.585
79 HA3 GLY 8 HA2 GLY 8 38.737 14.130 3.855
80 H VAL 9 HN VAL 9 39.920 13.196 1.033
81 HA VAL 9 HA VAL 9 42.738 12.836 1.612
82 HB VAL 9 HB VAL 9 41.354 13.755 -0.948
83 HG11 VAL 9 HG11 VAL 9 43.521 12.854 -1.973
84 HG12 VAL 9 HG12 VAL 9 44.194 12.849 -0.325
85 HG13 VAL 9 HG13 VAL 9 43.678 14.380 -1.071
86 HG21 VAL 9 HG21 VAL 9 40.669 11.501 -0.101
87 HG22 VAL 9 HG22 VAL 9 42.380 11.014 -0.080
88 HG23 VAL 9 HG23 VAL 9 41.584 11.402 -1.625
89 H LYS 10 HN LYS 10 41.500 15.486 -0.426
90 HA LYS 10 HA LYS 10 42.289 17.595 1.366
91 HB2 LYS 10 HB2 LYS 10 44.561 16.821 0.927
92 HB3 LYS 10 HB1 LYS 10 44.263 16.827 -0.824
93 HG2 LYS 10 HG2 LYS 10 45.558 18.819 -0.063
94 HG3 LYS 10 HG1 LYS 10 44.014 19.273 -0.813
95 HD2 LYS 10 HD2 LYS 10 43.016 19.815 1.276
96 HD3 LYS 10 HD1 LYS 10 44.232 18.900 2.199
97 HE2 LYS 10 HE2 LYS 10 44.785 21.434 0.591
98 HE3 LYS 10 HE1 LYS 10 44.585 21.364 2.357
99 HZ1 LYS 10 HZ1 LYS 10 46.712 20.822 2.522
100 HZ2 LYS 10 HZ2 LYS 10 46.890 20.842 0.832
101 HZ3 LYS 10 HZ3 LYS 10 46.441 19.408 1.623
102 H ILE 11 HN ILE 11 41.309 16.308 -1.687
103 HA ILE 11 HA ILE 11 40.142 18.982 -2.420
104 HB ILE 11 HB ILE 11 41.354 17.088 -4.474
105 HG12 ILE 11 HG12 ILE 11 42.590 19.539 -3.133
106 HG13 ILE 11 HG11 ILE 11 43.172 17.862 -3.017
107 HG21 ILE 11 HG21 ILE 11 41.058 18.920 -5.993
108 HG22 ILE 11 HG22 ILE 11 40.744 20.067 -4.668
109 HG23 ILE 11 HG23 ILE 11 39.541 18.820 -5.072
110 HD11 ILE 11 HD1 ILE 11 43.209 19.715 -5.422
111 HD12 ILE 11 HD2 ILE 11 43.344 17.950 -5.616
112 HD13 ILE 11 HD3 ILE 11 44.563 18.839 -4.674
113 H ILE 12 HN ILE 12 40.240 15.460 -3.064
114 HA ILE 12 HA ILE 12 37.524 15.497 -4.183
115 HB ILE 12 HB ILE 12 39.292 13.187 -3.297
116 HG12 ILE 12 HG12 ILE 12 38.872 14.291 -6.116
117 HG13 ILE 12 HG11 ILE 12 40.253 14.730 -5.089
118 HG21 ILE 12 HG21 ILE 12 36.826 13.304 -5.103
119 HG22 ILE 12 HG22 ILE 12 36.937 12.506 -3.518
120 HG23 ILE 12 HG23 ILE 12 37.846 11.864 -4.896
121 HD11 ILE 12 HD1 ILE 12 39.617 12.073 -6.397
122 HD12 ILE 12 HD2 ILE 12 40.582 12.093 -4.902
123 HD13 ILE 12 HD3 ILE 12 41.155 12.962 -6.344
124 H GLY 13 HN GLY 13 38.446 13.003 -1.854
125 HA2 GLY 13 HA1 GLY 13 36.000 13.225 -0.392
126 HA3 GLY 13 HA2 GLY 13 37.487 12.425 0.177
127 H GLY 14 HN GLY 14 38.563 15.201 -0.779
128 HA2 GLY 14 HA1 GLY 14 38.705 16.393 1.909
129 HA3 GLY 14 HA2 GLY 14 39.531 16.953 0.437
130 H ALA 15 HN ALA 15 37.431 17.245 -1.378
131 HA ALA 15 HA ALA 15 36.095 19.642 -0.175
132 HB1 ALA 15 HB1 ALA 15 35.862 18.479 -2.978
133 HB2 ALA 15 HB2 ALA 15 37.033 19.732 -2.492
134 HB3 ALA 15 HB3 ALA 15 35.288 20.069 -2.432
135 H ALA 16 HN ALA 16 35.591 16.943 0.787
136 HA ALA 16 HA ALA 16 33.753 15.799 1.578
137 HB1 ALA 16 HB1 ALA 16 31.849 17.520 -0.028
138 HB2 ALA 16 HB2 ALA 16 32.673 18.190 1.400
139 HB3 ALA 16 HB3 ALA 16 31.620 16.766 1.568
140 H LEU 17 HN LEU 17 35.260 15.047 -0.744
141 HA LEU 17 HA LEU 17 35.077 13.610 -2.562
142 HB2 LEU 17 HB2 LEU 17 33.734 12.447 -0.534
143 HB3 LEU 17 HB1 LEU 17 32.367 12.633 -1.649
144 HG LEU 17 HG LEU 17 35.016 11.277 -2.355
145 HD11 LEU 17 HD11 LEU 17 33.670 10.054 -0.633
146 HD12 LEU 17 HD12 LEU 17 33.780 9.176 -2.178
147 HD13 LEU 17 HD13 LEU 17 32.291 10.054 -1.757
148 HD21 LEU 17 HD21 LEU 17 33.640 10.432 -4.300
149 HD22 LEU 17 HD22 LEU 17 33.914 12.189 -4.331
150 HD23 LEU 17 HD23 LEU 17 32.342 11.540 -3.802
151 H ASP 18 HN ASP 18 34.475 16.090 -3.292
152 HA ASP 18 HA ASP 18 33.353 17.348 -4.878
153 HB2 ASP 18 HB2 ASP 18 32.490 14.615 -5.910
154 HB3 ASP 18 HB1 ASP 18 32.441 16.144 -6.820
155 H HIS 19 HN HIS 19 30.995 14.670 -4.885
156 HA HIS 19 HA HIS 19 29.101 16.141 -3.197
157 HB2 HIS 19 HB2 HIS 19 27.370 16.297 -5.036
158 HB3 HIS 19 HB1 HIS 19 28.736 17.424 -5.209
159 HD1 HIS 19 HD1 HIS 19 27.810 17.253 -7.838
160 HD2 HIS 19 HD2 HIS 19 29.959 13.994 -6.269
161 HE1 HIS 19 HE1 HIS 19 28.609 15.843 -9.814
162 H LEU 20 HN LEU 20 30.183 13.675 -2.809
163 HA LEU 20 HA LEU 20 27.786 12.010 -2.817
164 HB2 LEU 20 HB2 LEU 20 28.979 11.793 -5.172
165 HB3 LEU 20 HB1 LEU 20 30.138 10.777 -4.287
166 HG LEU 20 HG LEU 20 27.117 10.358 -4.474
167 HD11 LEU 20 HD11 LEU 20 28.539 9.777 -6.488
168 HD12 LEU 20 HD12 LEU 20 27.691 8.388 -5.768
169 HD13 LEU 20 HD13 LEU 20 29.427 8.630 -5.458
170 HD21 LEU 20 HD21 LEU 20 27.783 8.136 -3.299
171 HD22 LEU 20 HD22 LEU 20 27.723 9.600 -2.294
172 HD23 LEU 20 HD23 LEU 20 29.291 8.968 -2.856
Start of MODEL 63
1 H1 TRP 1 HT1 TRP 1 41.712 18.741 16.362
2 H2 TRP 1 HT2 TRP 1 40.140 18.908 16.983
3 H3 TRP 1 HT3 TRP 1 40.526 19.541 15.454
4 HA TRP 1 HA TRP 1 41.177 16.824 15.517
5 HB2 TRP 1 HB2 TRP 1 38.280 17.470 16.186
6 HB3 TRP 1 HB1 TRP 1 38.977 15.860 15.887
7 HD1 TRP 1 HD1 TRP 1 38.166 18.150 18.629
8 HE1 TRP 1 HE1 TRP 1 39.333 17.462 20.848
9 HE3 TRP 1 HE3 TRP 1 41.546 14.795 16.752
10 HZ2 TRP 1 HZ2 TRP 1 41.451 15.687 21.663
11 HZ3 TRP 1 HZ3 TRP 1 43.131 13.616 18.268
12 HH2 TRP 1 HH2 TRP 1 43.087 14.058 20.720
13 H LEU 2 HN LEU 2 41.651 18.652 13.663
14 HA LEU 2 HA LEU 2 41.337 19.104 11.415
15 HB2 LEU 2 HB2 LEU 2 39.196 16.957 11.384
16 HB3 LEU 2 HB1 LEU 2 40.222 17.508 10.043
17 HG LEU 2 HG LEU 2 41.117 15.973 12.523
18 HD11 LEU 2 HD11 LEU 2 41.268 15.274 9.560
19 HD12 LEU 2 HD12 LEU 2 39.986 14.706 10.656
20 HD13 LEU 2 HD13 LEU 2 41.676 14.220 10.934
21 HD21 LEU 2 HD21 LEU 2 43.370 15.994 11.227
22 HD22 LEU 2 HD22 LEU 2 42.910 17.487 12.074
23 HD23 LEU 2 HD23 LEU 2 42.689 17.359 10.311
24 H ARG 3 HN ARG 3 38.915 19.452 13.708
25 HA ARG 3 HA ARG 3 37.106 20.874 13.861
26 HB2 ARG 3 HB2 ARG 3 37.926 22.030 11.172
27 HB3 ARG 3 HB1 ARG 3 36.982 22.810 12.459
28 HG2 ARG 3 HG2 ARG 3 38.944 22.688 13.974
29 HG3 ARG 3 HG1 ARG 3 39.896 21.934 12.674
30 HD2 ARG 3 HD2 ARG 3 38.536 24.644 12.389
31 HD3 ARG 3 HD1 ARG 3 40.222 24.447 12.925
32 HE ARG 3 HE ARG 3 39.916 22.989 10.504
33 HH11 ARG 3 HH11 ARG 3 38.245 25.476 9.941
34 HH12 ARG 3 HH12 ARG 3 39.432 26.523 9.237
35 HH21 ARG 3 HH21 ARG 3 42.131 24.653 10.352
36 HH22 ARG 3 HH22 ARG 3 41.632 26.057 9.468
37 H ARG 4 HN ARG 4 37.261 20.473 10.291
38 HA ARG 4 HA ARG 4 34.459 20.073 10.018
39 HB2 ARG 4 HB2 ARG 4 36.165 20.637 8.202
40 HB3 ARG 4 HB1 ARG 4 36.596 18.913 8.192
41 HG2 ARG 4 HG2 ARG 4 34.347 18.280 7.548
42 HG3 ARG 4 HG1 ARG 4 33.754 19.941 7.782
43 HD2 ARG 4 HD2 ARG 4 35.835 19.069 5.730
44 HD3 ARG 4 HD1 ARG 4 34.134 19.459 5.382
45 HE ARG 4 HE ARG 4 35.371 21.668 6.745
46 HH11 ARG 4 HH11 ARG 4 36.173 19.919 3.945
47 HH12 ARG 4 HH12 ARG 4 36.229 21.304 2.906
48 HH21 ARG 4 HH21 ARG 4 35.066 23.497 5.327
49 HH22 ARG 4 HH22 ARG 4 35.604 23.329 3.689
50 H ILE 5 HN ILE 5 36.772 18.082 11.458
51 HA ILE 5 HA ILE 5 36.913 15.765 11.808
52 HB ILE 5 HB ILE 5 34.850 14.877 12.960
53 HG12 ILE 5 HG12 ILE 5 33.728 17.662 12.394
54 HG13 ILE 5 HG11 ILE 5 33.230 16.196 11.521
55 HG21 ILE 5 HG21 ILE 5 35.074 16.307 14.879
56 HG22 ILE 5 HG22 ILE 5 35.567 17.690 13.877
57 HG23 ILE 5 HG23 ILE 5 36.657 16.300 14.073
58 HD11 ILE 5 HD1 ILE 5 32.715 15.202 13.867
59 HD12 ILE 5 HD2 ILE 5 31.608 16.442 13.236
60 HD13 ILE 5 HD3 ILE 5 32.828 16.880 14.452
61 H GLY 6 HN GLY 6 36.639 16.143 9.087
62 HA2 GLY 6 HA1 GLY 6 35.590 13.563 8.316
63 HA3 GLY 6 HA2 GLY 6 34.510 14.871 7.792
64 H LYS 7 HN LYS 7 37.541 16.183 7.952
65 HA LYS 7 HA LYS 7 37.798 16.574 5.166
66 HB2 LYS 7 HB2 LYS 7 38.985 17.809 7.061
67 HB3 LYS 7 HB1 LYS 7 40.131 16.447 7.113
68 HG2 LYS 7 HG2 LYS 7 40.435 16.837 4.565
69 HG3 LYS 7 HG1 LYS 7 39.610 18.392 4.830
70 HD2 LYS 7 HD2 LYS 7 42.170 17.442 6.193
71 HD3 LYS 7 HD1 LYS 7 42.039 18.716 4.958
72 HE2 LYS 7 HE2 LYS 7 40.408 19.892 6.592
73 HE3 LYS 7 HE1 LYS 7 41.014 18.751 7.819
74 HZ1 LYS 7 HZ1 LYS 7 42.840 19.961 8.034
75 HZ2 LYS 7 HZ2 LYS 7 42.194 21.117 6.970
76 HZ3 LYS 7 HZ3 LYS 7 43.177 19.866 6.376
77 H GLY 8 HN GLY 8 37.614 14.769 3.895
78 HA2 GLY 8 HA1 GLY 8 38.894 12.278 4.395
79 HA3 GLY 8 HA2 GLY 8 38.327 12.853 2.814
80 H VAL 9 HN VAL 9 39.768 13.394 1.290
81 HA VAL 9 HA VAL 9 42.605 12.932 1.886
82 HB VAL 9 HB VAL 9 41.251 13.893 -0.677
83 HG11 VAL 9 HG11 VAL 9 44.060 12.908 -0.026
84 HG12 VAL 9 HG12 VAL 9 43.594 14.473 -0.737
85 HG13 VAL 9 HG13 VAL 9 43.412 12.976 -1.683
86 HG21 VAL 9 HG21 VAL 9 42.187 11.124 0.205
87 HG22 VAL 9 HG22 VAL 9 41.487 11.534 -1.379
88 HG23 VAL 9 HG23 VAL 9 40.491 11.653 0.091
89 H LYS 10 HN LYS 10 41.324 15.597 -0.111
90 HA LYS 10 HA LYS 10 42.091 17.702 1.705
91 HB2 LYS 10 HB2 LYS 10 44.373 16.853 1.128
92 HB3 LYS 10 HB1 LYS 10 44.029 17.185 -0.587
93 HG2 LYS 10 HG2 LYS 10 43.737 19.560 -0.129
94 HG3 LYS 10 HG1 LYS 10 43.884 19.281 1.623
95 HD2 LYS 10 HD2 LYS 10 46.201 18.502 1.328
96 HD3 LYS 10 HD1 LYS 10 46.061 18.705 -0.434
97 HE2 LYS 10 HE2 LYS 10 47.208 20.643 0.629
98 HE3 LYS 10 HE1 LYS 10 45.679 21.123 -0.146
99 HZ1 LYS 10 HZ1 LYS 10 44.752 21.620 1.818
100 HZ2 LYS 10 HZ2 LYS 10 46.350 21.701 2.392
101 HZ3 LYS 10 HZ3 LYS 10 45.434 20.287 2.617
102 H ILE 11 HN ILE 11 41.307 16.463 -1.461
103 HA ILE 11 HA ILE 11 39.933 19.061 -2.102
104 HB ILE 11 HB ILE 11 41.395 17.390 -4.191
105 HG12 ILE 11 HG12 ILE 11 42.334 19.899 -2.722
106 HG13 ILE 11 HG11 ILE 11 43.053 18.277 -2.591
107 HG21 ILE 11 HG21 ILE 11 39.449 18.971 -4.789
108 HG22 ILE 11 HG22 ILE 11 40.984 19.258 -5.638
109 HG23 ILE 11 HG23 ILE 11 40.509 20.304 -4.277
110 HD11 ILE 11 HD1 ILE 11 43.361 18.420 -5.174
111 HD12 ILE 11 HD2 ILE 11 44.443 19.398 -4.156
112 HD13 ILE 11 HD3 ILE 11 43.061 20.162 -4.971
113 H ILE 12 HN ILE 12 40.400 15.632 -3.045
114 HA ILE 12 HA ILE 12 37.715 15.464 -4.199
115 HB ILE 12 HB ILE 12 39.672 13.300 -3.358
116 HG12 ILE 12 HG12 ILE 12 40.764 14.741 -4.963
117 HG13 ILE 12 HG11 ILE 12 40.301 13.254 -5.812
118 HG21 ILE 12 HG21 ILE 12 37.051 13.262 -4.880
119 HG22 ILE 12 HG22 ILE 12 37.687 12.107 -3.691
120 HG23 ILE 12 HG23 ILE 12 38.315 12.103 -5.353
121 HD11 ILE 12 HD1 ILE 12 39.633 14.945 -7.317
122 HD12 ILE 12 HD2 ILE 12 39.085 16.026 -6.017
123 HD13 ILE 12 HD3 ILE 12 38.123 14.594 -6.450
124 H GLY 13 HN GLY 13 38.739 12.884 -2.033
125 HA2 GLY 13 HA1 GLY 13 36.284 12.742 -0.633
126 HA3 GLY 13 HA2 GLY 13 37.843 12.138 -0.030
127 H GLY 14 HN GLY 14 38.651 15.036 -0.736
128 HA2 GLY 14 HA1 GLY 14 38.432 16.082 2.000
129 HA3 GLY 14 HA2 GLY 14 39.275 16.832 0.625
130 H ALA 15 HN ALA 15 37.319 17.034 -1.317
131 HA ALA 15 HA ALA 15 35.572 19.122 -0.062
132 HB1 ALA 15 HB1 ALA 15 34.986 19.731 -2.324
133 HB2 ALA 15 HB2 ALA 15 35.737 18.258 -2.975
134 HB3 ALA 15 HB3 ALA 15 36.751 19.533 -2.250
135 H ALA 16 HN ALA 16 35.345 16.275 0.547
136 HA ALA 16 HA ALA 16 33.578 14.873 1.045
137 HB1 ALA 16 HB1 ALA 16 32.216 17.119 0.887
138 HB2 ALA 16 HB2 ALA 16 31.353 15.563 0.842
139 HB3 ALA 16 HB3 ALA 16 31.652 16.459 -0.665
140 H LEU 17 HN LEU 17 35.418 14.435 -1.081
141 HA LEU 17 HA LEU 17 35.635 12.986 -2.888
142 HB2 LEU 17 HB2 LEU 17 33.794 11.794 -1.280
143 HB3 LEU 17 HB1 LEU 17 32.785 12.014 -2.723
144 HG LEU 17 HG LEU 17 35.516 10.637 -2.669
145 HD11 LEU 17 HD11 LEU 17 32.672 9.549 -2.837
146 HD12 LEU 17 HD12 LEU 17 33.835 9.294 -1.514
147 HD13 LEU 17 HD13 LEU 17 34.140 8.583 -3.117
148 HD21 LEU 17 HD21 LEU 17 33.417 10.970 -4.861
149 HD22 LEU 17 HD22 LEU 17 34.854 9.927 -4.978
150 HD23 LEU 17 HD23 LEU 17 35.045 11.690 -4.839
151 H ASP 18 HN ASP 18 35.006 15.635 -3.445
152 HA ASP 18 HA ASP 18 34.123 17.006 -5.105
153 HB2 ASP 18 HB2 ASP 18 35.609 15.449 -6.411
154 HB3 ASP 18 HB1 ASP 18 34.177 14.453 -6.758
155 H HIS 19 HN HIS 19 32.207 15.672 -3.337
156 HA HIS 19 HA HIS 19 29.917 15.343 -3.176
157 HB2 HIS 19 HB2 HIS 19 29.898 17.664 -4.042
158 HB3 HIS 19 HB1 HIS 19 29.876 17.036 -5.707
159 HD1 HIS 19 HD1 HIS 19 27.666 16.200 -6.657
160 HD2 HIS 19 HD2 HIS 19 27.479 16.976 -2.529
161 HE1 HIS 19 HE1 HIS 19 25.207 16.084 -5.970
162 H LEU 20 HN LEU 20 30.476 13.054 -3.705
163 HA LEU 20 HA LEU 20 30.292 11.912 -6.259
164 HB2 LEU 20 HB2 LEU 20 30.840 10.772 -4.036
165 HB3 LEU 20 HB1 LEU 20 29.088 10.691 -3.751
166 HG LEU 20 HG LEU 20 29.011 9.575 -6.161
167 HD11 LEU 20 HD11 LEU 20 31.078 8.173 -6.553
168 HD12 LEU 20 HD12 LEU 20 31.917 9.142 -5.322
169 HD13 LEU 20 HD13 LEU 20 31.335 9.911 -6.816
170 HD21 LEU 20 HD21 LEU 20 29.369 7.339 -5.124
171 HD22 LEU 20 HD22 LEU 20 28.418 8.411 -4.068
172 HD23 LEU 20 HD23 LEU 20 30.141 8.121 -3.724
Start of MODEL 64
1 H1 TRP 1 HT1 TRP 1 36.851 1.962 5.023
2 H2 TRP 1 HT2 TRP 1 36.890 2.217 6.704
3 H3 TRP 1 HT3 TRP 1 37.520 0.784 6.042
4 HA TRP 1 HA TRP 1 38.685 3.398 6.289
5 HB2 TRP 1 HB2 TRP 1 40.764 1.979 6.208
6 HB3 TRP 1 HB1 TRP 1 39.615 1.506 7.483
7 HD1 TRP 1 HD1 TRP 1 41.184 0.310 4.252
8 HE1 TRP 1 HE1 TRP 1 40.516 -2.161 3.791
9 HE3 TRP 1 HE3 TRP 1 37.634 -0.259 7.896
10 HZ2 TRP 1 HZ2 TRP 1 38.682 -4.096 4.880
11 HZ3 TRP 1 HZ3 TRP 1 36.437 -2.426 8.167
12 HH2 TRP 1 HH2 TRP 1 36.958 -4.343 6.663
13 H LEU 2 HN LEU 2 40.100 4.347 4.808
14 HA LEU 2 HA LEU 2 39.329 3.944 2.018
15 HB2 LEU 2 HB2 LEU 2 41.614 5.675 2.994
16 HB3 LEU 2 HB1 LEU 2 40.575 5.902 1.567
17 HG LEU 2 HG LEU 2 39.746 6.154 4.492
18 HD11 LEU 2 HD11 LEU 2 39.409 8.501 3.949
19 HD12 LEU 2 HD12 LEU 2 39.765 8.200 2.231
20 HD13 LEU 2 HD13 LEU 2 41.056 8.047 3.448
21 HD21 LEU 2 HD21 LEU 2 37.549 6.958 3.394
22 HD22 LEU 2 HD22 LEU 2 37.857 5.207 3.359
23 HD23 LEU 2 HD23 LEU 2 38.141 6.191 1.902
24 H ARG 3 HN ARG 3 42.595 4.188 3.412
25 HA ARG 3 HA ARG 3 43.481 1.604 2.499
26 HB2 ARG 3 HB2 ARG 3 43.232 2.649 0.261
27 HB3 ARG 3 HB1 ARG 3 44.286 3.988 0.773
28 HG2 ARG 3 HG2 ARG 3 46.178 2.520 1.027
29 HG3 ARG 3 HG1 ARG 3 45.159 1.071 0.854
30 HD2 ARG 3 HD2 ARG 3 46.358 1.516 -1.250
31 HD3 ARG 3 HD1 ARG 3 44.609 1.757 -1.478
32 HE ARG 3 HE ARG 3 45.047 4.044 -1.878
33 HH11 ARG 3 HH11 ARG 3 46.359 4.884 0.566
34 HH12 ARG 3 HH12 ARG 3 47.986 5.215 0.076
35 HH21 ARG 3 HH21 ARG 3 47.731 3.449 -2.898
36 HH22 ARG 3 HH22 ARG 3 48.764 4.403 -1.886
37 H ARG 4 HN ARG 4 43.747 4.702 3.819
38 HA ARG 4 HA ARG 4 45.873 3.963 5.600
39 HB2 ARG 4 HB2 ARG 4 47.535 5.694 4.806
40 HB3 ARG 4 HB1 ARG 4 47.372 4.287 3.726
41 HG2 ARG 4 HG2 ARG 4 45.863 5.551 2.256
42 HG3 ARG 4 HG1 ARG 4 45.925 6.947 3.357
43 HD2 ARG 4 HD2 ARG 4 47.475 7.165 1.386
44 HD3 ARG 4 HD1 ARG 4 48.314 7.227 2.953
45 HE ARG 4 HE ARG 4 48.289 4.517 2.076
46 HH11 ARG 4 HH11 ARG 4 50.405 3.776 1.605
47 HH12 ARG 4 HH12 ARG 4 51.458 4.805 0.693
48 HH21 ARG 4 HH21 ARG 4 49.285 7.506 0.731
49 HH22 ARG 4 HH22 ARG 4 50.824 6.917 0.198
50 H ILE 5 HN ILE 5 43.203 5.592 4.719
51 HA ILE 5 HA ILE 5 42.058 7.414 5.589
52 HB ILE 5 HB ILE 5 43.893 7.166 8.010
53 HG12 ILE 5 HG12 ILE 5 43.219 4.911 7.559
54 HG13 ILE 5 HG11 ILE 5 42.142 5.488 8.844
55 HG21 ILE 5 HG21 ILE 5 42.471 9.026 8.320
56 HG22 ILE 5 HG22 ILE 5 41.597 7.719 9.144
57 HG23 ILE 5 HG23 ILE 5 41.090 8.246 7.525
58 HD11 ILE 5 HD1 ILE 5 40.737 4.355 7.273
59 HD12 ILE 5 HD2 ILE 5 41.522 5.140 5.884
60 HD13 ILE 5 HD3 ILE 5 40.474 6.085 6.967
61 H GLY 6 HN GLY 6 43.674 8.362 3.790
62 HA2 GLY 6 HA1 GLY 6 44.116 11.019 4.326
63 HA3 GLY 6 HA2 GLY 6 45.625 10.262 4.875
64 H LYS 7 HN LYS 7 43.790 8.848 2.255
65 HA LYS 7 HA LYS 7 45.956 8.747 0.473
66 HB2 LYS 7 HB2 LYS 7 43.980 7.409 0.096
67 HB3 LYS 7 HB1 LYS 7 42.961 8.855 -0.054
68 HG2 LYS 7 HG2 LYS 7 43.562 7.762 -2.258
69 HG3 LYS 7 HG1 LYS 7 44.020 9.476 -2.148
70 HD2 LYS 7 HD2 LYS 7 46.325 8.965 -1.843
71 HD3 LYS 7 HD1 LYS 7 45.985 7.268 -1.427
72 HE2 LYS 7 HE2 LYS 7 46.899 7.715 -3.795
73 HE3 LYS 7 HE1 LYS 7 45.427 6.721 -3.686
74 HZ1 LYS 7 HZ1 LYS 7 45.523 8.694 -5.339
75 HZ2 LYS 7 HZ2 LYS 7 45.207 9.650 -3.970
76 HZ3 LYS 7 HZ3 LYS 7 44.111 8.436 -4.435
77 H GLY 8 HN GLY 8 43.128 10.905 -0.026
78 HA2 GLY 8 HA1 GLY 8 44.787 13.260 -0.354
79 HA3 GLY 8 HA2 GLY 8 44.287 12.588 -1.920
80 H VAL 9 HN VAL 9 42.618 12.840 1.241
81 HA VAL 9 HA VAL 9 40.157 13.695 -0.083
82 HB VAL 9 HB VAL 9 39.250 13.870 2.203
83 HG11 VAL 9 HG11 VAL 9 39.480 11.532 2.811
84 HG12 VAL 9 HG12 VAL 9 41.035 11.411 1.953
85 HG13 VAL 9 HG13 VAL 9 39.526 11.634 1.034
86 HG21 VAL 9 HG21 VAL 9 41.116 14.818 3.407
87 HG22 VAL 9 HG22 VAL 9 42.171 13.453 2.968
88 HG23 VAL 9 HG23 VAL 9 40.825 13.208 4.107
89 H LYS 10 HN LYS 10 42.726 15.373 -0.181
90 HA LYS 10 HA LYS 10 42.035 17.805 1.309
91 HB2 LYS 10 HB2 LYS 10 44.036 17.340 -0.940
92 HB3 LYS 10 HB1 LYS 10 43.950 18.779 0.102
93 HG2 LYS 10 HG2 LYS 10 44.582 17.552 2.049
94 HG3 LYS 10 HG1 LYS 10 44.273 15.985 1.267
95 HD2 LYS 10 HD2 LYS 10 46.689 16.386 1.362
96 HD3 LYS 10 HD1 LYS 10 46.141 16.443 -0.329
97 HE2 LYS 10 HE2 LYS 10 46.264 18.824 -0.403
98 HE3 LYS 10 HE1 LYS 10 46.370 18.957 1.370
99 HZ1 LYS 10 HZ1 LYS 10 48.420 17.731 -0.411
100 HZ2 LYS 10 HZ2 LYS 10 48.521 17.856 1.281
101 HZ3 LYS 10 HZ3 LYS 10 48.529 19.258 0.321
102 H ILE 11 HN ILE 11 41.073 16.340 -1.618
103 HA ILE 11 HA ILE 11 39.780 18.912 -2.519
104 HB ILE 11 HB ILE 11 40.892 16.795 -4.400
105 HG12 ILE 11 HG12 ILE 11 42.138 19.433 -3.495
106 HG13 ILE 11 HG11 ILE 11 42.767 17.803 -3.160
107 HG21 ILE 11 HG21 ILE 11 40.184 19.713 -4.931
108 HG22 ILE 11 HG22 ILE 11 38.999 18.398 -5.102
109 HG23 ILE 11 HG23 ILE 11 40.455 18.418 -6.120
110 HD11 ILE 11 HD1 ILE 11 42.632 19.274 -5.814
111 HD12 ILE 11 HD2 ILE 11 42.796 17.502 -5.751
112 HD13 ILE 11 HD3 ILE 11 44.044 18.539 -5.020
113 H ILE 12 HN ILE 12 39.865 15.358 -2.530
114 HA ILE 12 HA ILE 12 37.194 15.097 -3.682
115 HB ILE 12 HB ILE 12 38.931 13.173 -2.108
116 HG12 ILE 12 HG12 ILE 12 38.513 13.341 -5.131
117 HG13 ILE 12 HG11 ILE 12 39.874 14.116 -4.292
118 HG21 ILE 12 HG21 ILE 12 36.378 12.799 -3.731
119 HG22 ILE 12 HG22 ILE 12 36.701 12.298 -2.054
120 HG23 ILE 12 HG23 ILE 12 37.477 11.443 -3.399
121 HD11 ILE 12 HD1 ILE 12 39.342 11.174 -4.760
122 HD12 ILE 12 HD2 ILE 12 40.230 11.645 -3.292
123 HD13 ILE 12 HD3 ILE 12 40.861 12.084 -4.894
124 H GLY 13 HN GLY 13 38.091 13.454 -0.671
125 HA2 GLY 13 HA1 GLY 13 35.579 14.015 0.596
126 HA3 GLY 13 HA2 GLY 13 37.062 13.457 1.403
127 H GLY 14 HN GLY 14 38.103 15.853 -0.355
128 HA2 GLY 14 HA1 GLY 14 38.152 17.792 1.876
129 HA3 GLY 14 HA2 GLY 14 39.005 17.917 0.321
130 H ALA 15 HN ALA 15 36.916 17.561 -1.496
131 HA ALA 15 HA ALA 15 35.502 20.178 -1.128
132 HB1 ALA 15 HB1 ALA 15 34.811 19.882 -3.450
133 HB2 ALA 15 HB2 ALA 15 35.469 18.230 -3.470
134 HB3 ALA 15 HB3 ALA 15 36.565 19.626 -3.319
135 H ALA 16 HN ALA 16 35.031 17.801 0.521
136 HA ALA 16 HA ALA 16 33.172 16.887 1.544
137 HB1 ALA 16 HB1 ALA 16 31.022 17.727 1.170
138 HB2 ALA 16 HB2 ALA 16 31.303 17.983 -0.568
139 HB3 ALA 16 HB3 ALA 16 32.041 19.079 0.626
140 H LEU 17 HN LEU 17 34.811 15.540 -0.366
141 HA LEU 17 HA LEU 17 34.762 13.534 -1.544
142 HB2 LEU 17 HB2 LEU 17 33.066 13.089 0.464
143 HB3 LEU 17 HB1 LEU 17 31.856 13.086 -0.835
144 HG LEU 17 HG LEU 17 33.594 11.419 -2.023
145 HD11 LEU 17 HD11 LEU 17 34.799 10.007 -0.418
146 HD12 LEU 17 HD12 LEU 17 34.184 10.976 0.941
147 HD13 LEU 17 HD13 LEU 17 35.325 11.694 -0.219
148 HD21 LEU 17 HD21 LEU 17 31.712 10.707 0.269
149 HD22 LEU 17 HD22 LEU 17 32.452 9.491 -0.802
150 HD23 LEU 17 HD23 LEU 17 31.349 10.715 -1.473
151 H ASP 18 HN ASP 18 34.447 15.741 -3.073
152 HA ASP 18 HA ASP 18 33.664 16.465 -5.133
153 HB2 ASP 18 HB2 ASP 18 33.124 13.482 -5.391
154 HB3 ASP 18 HB1 ASP 18 33.007 14.639 -6.741
155 H HIS 19 HN HIS 19 31.339 13.790 -4.956
156 HA HIS 19 HA HIS 19 29.132 15.643 -4.226
157 HB2 HIS 19 HB2 HIS 19 29.142 14.120 -6.864
158 HB3 HIS 19 HB1 HIS 19 27.826 15.134 -6.228
159 HD1 HIS 19 HD1 HIS 19 31.417 15.356 -7.508
160 HD2 HIS 19 HD2 HIS 19 28.179 17.893 -6.627
161 HE1 HIS 19 HE1 HIS 19 32.011 17.684 -8.383
162 H LEU 20 HN LEU 20 29.913 13.794 -2.545
163 HA LEU 20 HA LEU 20 29.279 11.866 -1.422
164 HB2 LEU 20 HB2 LEU 20 26.663 12.015 -2.957
165 HB3 LEU 20 HB1 LEU 20 26.949 11.427 -1.300
166 HG LEU 20 HG LEU 20 27.200 14.307 -2.274
167 HD11 LEU 20 HD11 LEU 20 24.877 13.527 -1.984
168 HD12 LEU 20 HD12 LEU 20 25.310 14.677 -0.697
169 HD13 LEU 20 HD13 LEU 20 25.268 12.931 -0.353
170 HD21 LEU 20 HD21 LEU 20 28.883 14.034 -0.596
171 HD22 LEU 20 HD22 LEU 20 27.851 12.963 0.383
172 HD23 LEU 20 HD23 LEU 20 27.483 14.701 0.274
Start of MODEL 65
1 H1 TRP 1 HT1 TRP 1 38.890 12.945 17.430
2 H2 TRP 1 HT2 TRP 1 38.516 12.017 16.056
3 H3 TRP 1 HT3 TRP 1 37.559 11.896 17.456
4 HA TRP 1 HA TRP 1 36.417 13.729 17.051
5 HB2 TRP 1 HB2 TRP 1 38.609 15.047 17.258
6 HB3 TRP 1 HB1 TRP 1 38.748 14.908 15.490
7 HD1 TRP 1 HD1 TRP 1 35.966 15.950 17.999
8 HE1 TRP 1 HE1 TRP 1 34.723 18.031 17.058
9 HE3 TRP 1 HE3 TRP 1 38.520 16.492 13.596
10 HZ2 TRP 1 HZ2 TRP 1 34.847 19.685 14.704
11 HZ3 TRP 1 HZ3 TRP 1 37.941 18.329 12.017
12 HH2 TRP 1 HH2 TRP 1 36.107 19.924 12.567
13 H LEU 2 HN LEU 2 35.785 15.074 14.889
14 HA LEU 2 HA LEU 2 34.749 14.815 12.841
15 HB2 LEU 2 HB2 LEU 2 37.033 14.964 12.007
16 HB3 LEU 2 HB1 LEU 2 37.296 13.235 12.311
17 HG LEU 2 HG LEU 2 35.663 12.631 10.590
18 HD11 LEU 2 HD11 LEU 2 33.954 14.273 10.705
19 HD12 LEU 2 HD12 LEU 2 34.745 14.614 9.151
20 HD13 LEU 2 HD13 LEU 2 35.110 15.620 10.574
21 HD21 LEU 2 HD21 LEU 2 37.514 14.845 9.603
22 HD22 LEU 2 HD22 LEU 2 36.824 13.535 8.616
23 HD23 LEU 2 HD23 LEU 2 37.997 13.158 9.900
24 H ARG 3 HN ARG 3 36.359 11.689 12.589
25 HA ARG 3 HA ARG 3 34.206 10.069 13.589
26 HB2 ARG 3 HB2 ARG 3 33.085 11.041 11.528
27 HB3 ARG 3 HB1 ARG 3 34.339 10.240 10.551
28 HG2 ARG 3 HG2 ARG 3 33.684 8.048 11.512
29 HG3 ARG 3 HG1 ARG 3 32.418 8.852 12.473
30 HD2 ARG 3 HD2 ARG 3 31.360 7.965 10.484
31 HD3 ARG 3 HD1 ARG 3 31.453 9.732 10.294
32 HE ARG 3 HE ARG 3 33.797 8.666 9.124
33 HH11 ARG 3 HH11 ARG 3 31.729 10.359 7.705
34 HH12 ARG 3 HH12 ARG 3 31.193 9.281 6.460
35 HH21 ARG 3 HH21 ARG 3 32.523 6.456 7.967
36 HH22 ARG 3 HH22 ARG 3 31.641 7.070 6.609
37 H ARG 4 HN ARG 4 37.037 10.684 11.718
38 HA ARG 4 HA ARG 4 38.257 8.179 12.591
39 HB2 ARG 4 HB2 ARG 4 36.845 7.673 10.436
40 HB3 ARG 4 HB1 ARG 4 38.117 8.570 9.578
41 HG2 ARG 4 HG2 ARG 4 39.829 7.034 10.567
42 HG3 ARG 4 HG1 ARG 4 38.521 6.117 11.352
43 HD2 ARG 4 HD2 ARG 4 37.512 5.720 9.081
44 HD3 ARG 4 HD1 ARG 4 38.932 6.510 8.356
45 HE ARG 4 HE ARG 4 39.694 4.354 10.153
46 HH11 ARG 4 HH11 ARG 4 41.409 3.474 8.661
47 HH12 ARG 4 HH12 ARG 4 40.798 2.799 7.187
48 HH21 ARG 4 HH21 ARG 4 37.650 4.210 7.535
49 HH22 ARG 4 HH22 ARG 4 38.671 3.216 6.549
50 H ILE 5 HN ILE 5 38.274 11.355 12.055
51 HA ILE 5 HA ILE 5 39.875 12.955 11.445
52 HB ILE 5 HB ILE 5 41.960 12.752 12.830
53 HG12 ILE 5 HG12 ILE 5 40.740 10.106 13.753
54 HG13 ILE 5 HG11 ILE 5 42.103 10.219 12.617
55 HG21 ILE 5 HG21 ILE 5 39.724 13.602 13.699
56 HG22 ILE 5 HG22 ILE 5 40.817 12.970 14.949
57 HG23 ILE 5 HG23 ILE 5 39.450 11.982 14.380
58 HD11 ILE 5 HD1 ILE 5 43.254 11.667 14.451
59 HD12 ILE 5 HD2 ILE 5 43.131 9.916 14.735
60 HD13 ILE 5 HD3 ILE 5 42.002 11.026 15.542
61 H GLY 6 HN GLY 6 39.691 11.032 9.387
62 HA2 GLY 6 HA1 GLY 6 42.219 11.536 8.073
63 HA3 GLY 6 HA2 GLY 6 42.069 9.834 8.549
64 H LYS 7 HN LYS 7 38.972 10.653 8.176
65 HA LYS 7 HA LYS 7 38.816 9.406 5.531
66 HB2 LYS 7 HB2 LYS 7 37.168 9.070 7.443
67 HB3 LYS 7 HB1 LYS 7 36.571 10.713 7.112
68 HG2 LYS 7 HG2 LYS 7 36.172 10.011 4.716
69 HG3 LYS 7 HG1 LYS 7 36.593 8.348 5.189
70 HD2 LYS 7 HD2 LYS 7 34.752 8.277 6.785
71 HD3 LYS 7 HD1 LYS 7 34.386 9.995 6.497
72 HE2 LYS 7 HE2 LYS 7 32.815 8.668 5.204
73 HE3 LYS 7 HE1 LYS 7 33.962 9.421 4.071
74 HZ1 LYS 7 HZ1 LYS 7 33.399 6.850 4.006
75 HZ2 LYS 7 HZ2 LYS 7 34.658 6.788 5.146
76 HZ3 LYS 7 HZ3 LYS 7 34.936 7.443 3.603
77 H GLY 8 HN GLY 8 40.156 11.137 4.488
78 HA2 GLY 8 HA1 GLY 8 38.655 12.711 2.763
79 HA3 GLY 8 HA2 GLY 8 38.963 13.770 4.152
80 H VAL 9 HN VAL 9 40.011 13.042 1.149
81 HA VAL 9 HA VAL 9 42.888 12.956 1.591
82 HB VAL 9 HB VAL 9 41.283 13.666 -0.909
83 HG11 VAL 9 HG11 VAL 9 44.241 13.121 -0.422
84 HG12 VAL 9 HG12 VAL 9 43.507 14.564 -1.160
85 HG13 VAL 9 HG13 VAL 9 43.491 13.012 -2.031
86 HG21 VAL 9 HG21 VAL 9 41.775 11.345 -1.567
87 HG22 VAL 9 HG22 VAL 9 40.914 11.363 -0.009
88 HG23 VAL 9 HG23 VAL 9 42.672 11.087 -0.052
89 H LYS 10 HN LYS 10 41.410 15.414 -0.505
90 HA LYS 10 HA LYS 10 41.938 17.639 1.257
91 HB2 LYS 10 HB2 LYS 10 44.298 16.856 0.677
92 HB3 LYS 10 HB1 LYS 10 43.949 17.324 -1.001
93 HG2 LYS 10 HG2 LYS 10 43.418 19.634 -0.226
94 HG3 LYS 10 HG1 LYS 10 43.833 19.155 1.437
95 HD2 LYS 10 HD2 LYS 10 46.129 18.671 0.783
96 HD3 LYS 10 HD1 LYS 10 45.741 18.951 -0.932
97 HE2 LYS 10 HE2 LYS 10 45.454 21.061 1.250
98 HE3 LYS 10 HE1 LYS 10 46.872 20.914 0.184
99 HZ1 LYS 10 HZ1 LYS 10 44.239 21.956 -0.380
100 HZ2 LYS 10 HZ2 LYS 10 44.803 20.867 -1.557
101 HZ3 LYS 10 HZ3 LYS 10 45.714 22.246 -1.166
102 H ILE 11 HN ILE 11 41.256 16.240 -1.866
103 HA ILE 11 HA ILE 11 40.040 18.859 -2.767
104 HB ILE 11 HB ILE 11 40.960 16.602 -4.585
105 HG12 ILE 11 HG12 ILE 11 42.488 19.078 -3.657
106 HG13 ILE 11 HG11 ILE 11 42.921 17.383 -3.333
107 HG21 ILE 11 HG21 ILE 11 39.280 18.413 -5.334
108 HG22 ILE 11 HG22 ILE 11 40.741 18.231 -6.330
109 HG23 ILE 11 HG23 ILE 11 40.618 19.573 -5.167
110 HD11 ILE 11 HD1 ILE 11 44.297 17.988 -5.170
111 HD12 ILE 11 HD2 ILE 11 42.985 18.881 -5.974
112 HD13 ILE 11 HD3 ILE 11 42.950 17.100 -5.922
113 H ILE 12 HN ILE 12 39.798 15.284 -2.981
114 HA ILE 12 HA ILE 12 36.957 15.525 -3.826
115 HB ILE 12 HB ILE 12 38.732 13.106 -3.331
116 HG12 ILE 12 HG12 ILE 12 37.855 14.068 -6.087
117 HG13 ILE 12 HG11 ILE 12 39.248 14.838 -5.297
118 HG21 ILE 12 HG21 ILE 12 36.571 12.190 -3.216
119 HG22 ILE 12 HG22 ILE 12 36.831 12.112 -4.967
120 HG23 ILE 12 HG23 ILE 12 35.867 13.433 -4.276
121 HD11 ILE 12 HD1 ILE 12 38.945 11.865 -5.921
122 HD12 ILE 12 HD2 ILE 12 40.299 12.579 -5.017
123 HD13 ILE 12 HD3 ILE 12 40.037 13.017 -6.721
124 H GLY 13 HN GLY 13 37.961 12.813 -1.837
125 HA2 GLY 13 HA1 GLY 13 35.813 13.082 0.000
126 HA3 GLY 13 HA2 GLY 13 37.318 12.182 0.301
127 H GLY 14 HN GLY 14 38.455 14.934 -0.591
128 HA2 GLY 14 HA1 GLY 14 38.937 15.945 2.136
129 HA3 GLY 14 HA2 GLY 14 39.670 16.527 0.625
130 H ALA 15 HN ALA 15 37.523 17.126 -0.990
131 HA ALA 15 HA ALA 15 36.419 19.491 0.491
132 HB1 ALA 15 HB1 ALA 15 37.341 19.601 -1.898
133 HB2 ALA 15 HB2 ALA 15 35.729 20.304 -1.635
134 HB3 ALA 15 HB3 ALA 15 35.884 18.703 -2.393
135 H ALA 16 HN ALA 16 35.756 16.722 1.152
136 HA ALA 16 HA ALA 16 33.859 15.632 1.891
137 HB1 ALA 16 HB1 ALA 16 32.038 17.663 0.582
138 HB2 ALA 16 HB2 ALA 16 32.961 18.097 2.039
139 HB3 ALA 16 HB3 ALA 16 31.808 16.743 2.087
140 H LEU 17 HN LEU 17 35.163 14.759 -0.330
141 HA LEU 17 HA LEU 17 34.828 13.351 -2.143
142 HB2 LEU 17 HB2 LEU 17 31.844 13.458 -1.558
143 HB3 LEU 17 HB1 LEU 17 32.716 12.224 -2.482
144 HG LEU 17 HG LEU 17 33.500 12.746 0.412
145 HD11 LEU 17 HD11 LEU 17 31.885 11.000 1.115
146 HD12 LEU 17 HD12 LEU 17 31.217 10.959 -0.534
147 HD13 LEU 17 HD13 LEU 17 31.054 12.428 0.457
148 HD21 LEU 17 HD21 LEU 17 33.421 10.194 -1.259
149 HD22 LEU 17 HD22 LEU 17 34.214 10.423 0.317
150 HD23 LEU 17 HD23 LEU 17 34.851 11.241 -1.126
151 H ASP 18 HN ASP 18 33.741 16.455 -1.936
152 HA ASP 18 HA ASP 18 33.124 18.042 -3.504
153 HB2 ASP 18 HB2 ASP 18 35.257 17.378 -4.512
154 HB3 ASP 18 HB1 ASP 18 34.454 16.052 -5.385
155 H HIS 19 HN HIS 19 32.832 15.337 -5.793
156 HA HIS 19 HA HIS 19 30.420 16.112 -6.939
157 HB2 HIS 19 HB2 HIS 19 31.888 14.252 -7.727
158 HB3 HIS 19 HB1 HIS 19 31.270 13.241 -6.399
159 HD1 HIS 19 HD1 HIS 19 28.837 15.607 -7.955
160 HD2 HIS 19 HD2 HIS 19 30.032 11.613 -8.500
161 HE1 HIS 19 HE1 HIS 19 27.050 14.464 -9.378
162 H LEU 20 HN LEU 20 30.916 14.240 -3.955
163 HA LEU 20 HA LEU 20 29.415 13.575 -2.322
164 HB2 LEU 20 HB2 LEU 20 29.129 16.196 -2.502
165 HB3 LEU 20 HB1 LEU 20 27.540 15.799 -3.189
166 HG LEU 20 HG LEU 20 28.612 14.901 -0.472
167 HD11 LEU 20 HD11 LEU 20 27.944 17.304 -0.642
168 HD12 LEU 20 HD12 LEU 20 26.867 16.377 0.429
169 HD13 LEU 20 HD13 LEU 20 26.340 16.796 -1.220
170 HD21 LEU 20 HD21 LEU 20 27.194 13.136 -1.201
171 HD22 LEU 20 HD22 LEU 20 26.070 14.250 -2.018
172 HD23 LEU 20 HD23 LEU 20 26.116 14.171 -0.241
Start of MODEL 66
1 H1 TRP 1 HT1 TRP 1 44.071 8.326 11.930
2 H2 TRP 1 HT2 TRP 1 45.701 8.808 11.909
3 H3 TRP 1 HT3 TRP 1 45.086 7.929 13.228
4 HA TRP 1 HA TRP 1 45.768 7.036 10.533
5 HB2 TRP 1 HB2 TRP 1 46.109 5.737 13.261
6 HB3 TRP 1 HB1 TRP 1 46.888 5.265 11.733
7 HD1 TRP 1 HD1 TRP 1 46.745 8.285 14.152
8 HE1 TRP 1 HE1 TRP 1 49.016 9.549 14.065
9 HE3 TRP 1 HE3 TRP 1 49.041 5.569 10.468
10 HZ2 TRP 1 HZ2 TRP 1 51.478 9.378 12.582
11 HZ3 TRP 1 HZ3 TRP 1 51.351 6.137 9.733
12 HH2 TRP 1 HH2 TRP 1 52.571 8.038 10.786
13 H LEU 2 HN LEU 2 43.476 7.020 9.884
14 HA LEU 2 HA LEU 2 41.655 5.166 11.223
15 HB2 LEU 2 HB2 LEU 2 41.485 6.352 8.424
16 HB3 LEU 2 HB1 LEU 2 40.150 5.667 9.379
17 HG LEU 2 HG LEU 2 41.806 8.097 10.206
18 HD11 LEU 2 HD11 LEU 2 40.459 8.531 8.172
19 HD12 LEU 2 HD12 LEU 2 39.805 9.408 9.576
20 HD13 LEU 2 HD13 LEU 2 39.008 7.924 9.004
21 HD21 LEU 2 HD21 LEU 2 39.387 6.663 11.376
22 HD22 LEU 2 HD22 LEU 2 39.697 8.381 11.727
23 HD23 LEU 2 HD23 LEU 2 40.892 7.151 12.190
24 H ARG 3 HN ARG 3 42.633 5.135 7.789
25 HA ARG 3 HA ARG 3 43.455 2.271 8.025
26 HB2 ARG 3 HB2 ARG 3 41.418 3.256 5.983
27 HB3 ARG 3 HB1 ARG 3 42.031 1.596 6.173
28 HG2 ARG 3 HG2 ARG 3 41.104 1.646 8.550
29 HG3 ARG 3 HG1 ARG 3 40.295 3.172 8.117
30 HD2 ARG 3 HD2 ARG 3 39.286 1.910 6.119
31 HD3 ARG 3 HD1 ARG 3 39.873 0.418 6.892
32 HE ARG 3 HE ARG 3 38.412 1.841 8.856
33 HH11 ARG 3 HH11 ARG 3 37.201 1.918 5.829
34 HH12 ARG 3 HH12 ARG 3 35.876 0.834 6.090
35 HH21 ARG 3 HH21 ARG 3 37.012 -0.237 9.186
36 HH22 ARG 3 HH22 ARG 3 35.769 -0.385 7.990
37 H ARG 4 HN ARG 4 43.520 5.413 6.645
38 HA ARG 4 HA ARG 4 45.961 4.720 5.106
39 HB2 ARG 4 HB2 ARG 4 43.490 5.976 3.837
40 HB3 ARG 4 HB1 ARG 4 45.101 5.917 3.082
41 HG2 ARG 4 HG2 ARG 4 45.020 3.377 3.396
42 HG3 ARG 4 HG1 ARG 4 43.305 3.573 3.827
43 HD2 ARG 4 HD2 ARG 4 42.987 4.801 1.626
44 HD3 ARG 4 HD1 ARG 4 44.645 4.318 1.195
45 HE ARG 4 HE ARG 4 43.159 1.996 2.001
46 HH11 ARG 4 HH11 ARG 4 41.238 3.525 0.180
47 HH12 ARG 4 HH12 ARG 4 41.624 2.835 -1.360
48 HH21 ARG 4 HH21 ARG 4 44.615 1.448 -0.286
49 HH22 ARG 4 HH22 ARG 4 43.536 1.659 -1.625
50 H ILE 5 HN ILE 5 44.629 6.411 7.421
51 HA ILE 5 HA ILE 5 45.212 8.374 8.482
52 HB ILE 5 HB ILE 5 47.189 8.991 6.243
53 HG12 ILE 5 HG12 ILE 5 47.516 7.241 8.730
54 HG13 ILE 5 HG11 ILE 5 47.644 6.705 7.041
55 HG21 ILE 5 HG21 ILE 5 48.289 10.332 7.903
56 HG22 ILE 5 HG22 ILE 5 47.298 9.649 9.214
57 HG23 ILE 5 HG23 ILE 5 46.564 10.739 8.017
58 HD11 ILE 5 HD1 ILE 5 49.533 8.503 6.836
59 HD12 ILE 5 HD2 ILE 5 49.899 6.987 7.694
60 HD13 ILE 5 HD3 ILE 5 49.544 8.467 8.615
61 H GLY 6 HN GLY 6 44.557 8.473 5.011
62 HA2 GLY 6 HA1 GLY 6 42.649 10.625 5.430
63 HA3 GLY 6 HA2 GLY 6 44.096 11.165 4.553
64 H LYS 7 HN LYS 7 41.191 9.214 4.476
65 HA LYS 7 HA LYS 7 41.515 7.720 2.138
66 HB2 LYS 7 HB2 LYS 7 39.067 9.278 3.058
67 HB3 LYS 7 HB1 LYS 7 39.053 8.003 1.815
68 HG2 LYS 7 HG2 LYS 7 40.122 6.465 3.575
69 HG3 LYS 7 HG1 LYS 7 39.739 7.728 4.770
70 HD2 LYS 7 HD2 LYS 7 37.720 6.351 2.940
71 HD3 LYS 7 HD1 LYS 7 37.957 5.995 4.666
72 HE2 LYS 7 HE2 LYS 7 37.511 8.538 5.043
73 HE3 LYS 7 HE1 LYS 7 36.856 8.519 3.387
74 HZ1 LYS 7 HZ1 LYS 7 34.989 7.698 4.209
75 HZ2 LYS 7 HZ2 LYS 7 35.647 7.631 5.775
76 HZ3 LYS 7 HZ3 LYS 7 35.813 6.307 4.722
77 H GLY 8 HN GLY 8 40.970 8.053 -0.074
78 HA2 GLY 8 HA1 GLY 8 41.041 9.239 -2.057
79 HA3 GLY 8 HA2 GLY 8 40.311 10.593 -1.175
80 H VAL 9 HN VAL 9 41.517 12.351 -0.662
81 HA VAL 9 HA VAL 9 44.488 12.154 -0.805
82 HB VAL 9 HB VAL 9 42.925 14.163 -2.492
83 HG11 VAL 9 HG11 VAL 9 45.250 14.611 -3.396
84 HG12 VAL 9 HG12 VAL 9 45.892 13.570 -2.103
85 HG13 VAL 9 HG13 VAL 9 45.033 15.073 -1.693
86 HG21 VAL 9 HG21 VAL 9 42.746 11.970 -3.525
87 HG22 VAL 9 HG22 VAL 9 44.470 11.638 -3.233
88 HG23 VAL 9 HG23 VAL 9 43.990 12.884 -4.409
89 H LYS 10 HN LYS 10 42.150 14.866 -0.981
90 HA LYS 10 HA LYS 10 42.346 15.510 1.827
91 HB2 LYS 10 HB2 LYS 10 44.691 16.088 0.995
92 HB3 LYS 10 HB1 LYS 10 43.932 17.354 -0.000
93 HG2 LYS 10 HG2 LYS 10 42.848 18.228 2.142
94 HG3 LYS 10 HG1 LYS 10 43.900 17.104 3.036
95 HD2 LYS 10 HD2 LYS 10 45.879 18.165 1.830
96 HD3 LYS 10 HD1 LYS 10 44.751 19.403 1.229
97 HE2 LYS 10 HE2 LYS 10 44.128 19.950 3.580
98 HE3 LYS 10 HE1 LYS 10 45.315 18.755 4.155
99 HZ1 LYS 10 HZ1 LYS 10 46.951 20.077 2.707
100 HZ2 LYS 10 HZ2 LYS 10 46.475 20.746 4.194
101 HZ3 LYS 10 HZ3 LYS 10 45.790 21.312 2.746
102 H ILE 11 HN ILE 11 42.283 17.248 -1.327
103 HA ILE 11 HA ILE 11 40.073 18.935 -0.396
104 HB ILE 11 HB ILE 11 40.024 19.746 -2.757
105 HG12 ILE 11 HG12 ILE 11 42.352 17.787 -3.068
106 HG13 ILE 11 HG11 ILE 11 40.761 17.645 -3.852
107 HG21 ILE 11 HG21 ILE 11 41.567 20.662 -0.919
108 HG22 ILE 11 HG22 ILE 11 42.082 20.987 -2.588
109 HG23 ILE 11 HG23 ILE 11 42.866 19.691 -1.652
110 HD11 ILE 11 HD1 ILE 11 42.948 19.690 -4.357
111 HD12 ILE 11 HD2 ILE 11 41.259 20.019 -4.822
112 HD13 ILE 11 HD3 ILE 11 42.124 18.630 -5.522
113 H ILE 12 HN ILE 12 40.040 15.819 -0.929
114 HA ILE 12 HA ILE 12 37.905 15.530 -2.894
115 HB ILE 12 HB ILE 12 38.888 13.750 -0.653
116 HG12 ILE 12 HG12 ILE 12 40.548 14.459 -2.539
117 HG13 ILE 12 HG11 ILE 12 40.415 12.735 -2.159
118 HG21 ILE 12 HG21 ILE 12 36.718 12.952 -1.301
119 HG22 ILE 12 HG22 ILE 12 37.882 11.889 -2.119
120 HG23 ILE 12 HG23 ILE 12 37.067 13.184 -3.029
121 HD11 ILE 12 HD1 ILE 12 38.809 14.040 -4.398
122 HD12 ILE 12 HD2 ILE 12 39.070 12.308 -4.107
123 HD13 ILE 12 HD3 ILE 12 40.418 13.332 -4.647
124 H GLY 13 HN GLY 13 37.683 14.222 0.395
125 HA2 GLY 13 HA1 GLY 13 34.914 14.953 0.670
126 HA3 GLY 13 HA2 GLY 13 36.006 14.428 1.973
127 H GLY 14 HN GLY 14 37.689 16.649 0.405
128 HA2 GLY 14 HA1 GLY 14 37.069 18.777 2.392
129 HA3 GLY 14 HA2 GLY 14 38.434 18.727 1.260
130 H ALA 15 HN ALA 15 37.013 18.191 -1.147
131 HA ALA 15 HA ALA 15 35.796 20.905 -1.553
132 HB1 ALA 15 HB1 ALA 15 37.489 20.066 -3.178
133 HB2 ALA 15 HB2 ALA 15 35.905 20.364 -3.931
134 HB3 ALA 15 HB3 ALA 15 36.412 18.700 -3.560
135 H ALA 16 HN ALA 16 34.631 18.698 0.029
136 HA ALA 16 HA ALA 16 32.450 18.043 0.445
137 HB1 ALA 16 HB1 ALA 16 30.633 18.891 -0.751
138 HB2 ALA 16 HB2 ALA 16 31.500 18.867 -2.305
139 HB3 ALA 16 HB3 ALA 16 31.881 20.111 -1.092
140 H LEU 17 HN LEU 17 34.556 16.397 -0.625
141 HA LEU 17 HA LEU 17 34.769 14.268 -1.552
142 HB2 LEU 17 HB2 LEU 17 32.628 14.067 -0.022
143 HB3 LEU 17 HB1 LEU 17 31.753 13.983 -1.565
144 HG LEU 17 HG LEU 17 33.615 12.135 -2.152
145 HD11 LEU 17 HD11 LEU 17 34.401 10.881 -0.243
146 HD12 LEU 17 HD12 LEU 17 33.415 11.849 0.878
147 HD13 LEU 17 HD13 LEU 17 34.814 12.583 0.066
148 HD21 LEU 17 HD21 LEU 17 32.093 10.388 -1.124
149 HD22 LEU 17 HD22 LEU 17 31.243 11.615 -2.093
150 HD23 LEU 17 HD23 LEU 17 31.215 11.708 -0.315
151 H ASP 18 HN ASP 18 33.999 16.754 -3.230
152 HA ASP 18 HA ASP 18 33.686 17.202 -5.483
153 HB2 ASP 18 HB2 ASP 18 35.592 15.526 -5.586
154 HB3 ASP 18 HB1 ASP 18 34.374 14.275 -5.934
155 H HIS 19 HN HIS 19 31.625 15.433 -3.739
156 HA HIS 19 HA HIS 19 29.494 15.670 -5.681
157 HB2 HIS 19 HB2 HIS 19 30.559 13.649 -6.619
158 HB3 HIS 19 HB1 HIS 19 30.446 12.850 -5.033
159 HD1 HIS 19 HD1 HIS 19 28.264 11.730 -4.426
160 HD2 HIS 19 HD2 HIS 19 27.911 14.255 -7.772
161 HE1 HIS 19 HE1 HIS 19 25.931 11.373 -5.404
162 H LEU 20 HN LEU 20 30.421 13.485 -2.975
163 HA LEU 20 HA LEU 20 29.322 13.035 -0.987
164 HB2 LEU 20 HB2 LEU 20 30.026 15.259 -0.380
165 HB3 LEU 20 HB1 LEU 20 28.714 15.998 -1.322
166 HG LEU 20 HG LEU 20 27.035 15.173 0.220
167 HD11 LEU 20 HD11 LEU 20 27.775 12.976 0.787
168 HD12 LEU 20 HD12 LEU 20 27.870 13.884 2.313
169 HD13 LEU 20 HD13 LEU 20 29.349 13.564 1.372
170 HD21 LEU 20 HD21 LEU 20 29.426 16.172 1.833
171 HD22 LEU 20 HD22 LEU 20 27.707 16.320 2.273
172 HD23 LEU 20 HD23 LEU 20 28.346 17.213 0.873
Start of MODEL 67
1 H1 TRP 1 HT1 TRP 1 41.812 25.229 9.935
2 H2 TRP 1 HT2 TRP 1 42.118 24.081 8.721
3 H3 TRP 1 HT3 TRP 1 43.397 24.699 9.652
4 HA TRP 1 HA TRP 1 42.714 22.443 10.271
5 HB2 TRP 1 HB2 TRP 1 42.246 24.553 12.412
6 HB3 TRP 1 HB1 TRP 1 42.800 22.879 12.655
7 HD1 TRP 1 HD1 TRP 1 45.316 22.428 12.473
8 HE1 TRP 1 HE1 TRP 1 47.423 23.826 11.869
9 HE3 TRP 1 HE3 TRP 1 43.010 26.673 10.779
10 HZ2 TRP 1 HZ2 TRP 1 47.996 26.437 10.796
11 HZ3 TRP 1 HZ3 TRP 1 44.356 28.605 9.971
12 HH2 TRP 1 HH2 TRP 1 46.845 28.491 9.977
13 H LEU 2 HN LEU 2 40.966 21.243 9.883
14 HA LEU 2 HA LEU 2 38.275 22.273 10.087
15 HB2 LEU 2 HB2 LEU 2 39.482 19.506 9.768
16 HB3 LEU 2 HB1 LEU 2 37.727 19.721 9.965
17 HG LEU 2 HG LEU 2 37.622 21.144 7.987
18 HD11 LEU 2 HD11 LEU 2 39.669 22.378 8.056
19 HD12 LEU 2 HD12 LEU 2 39.787 21.374 6.593
20 HD13 LEU 2 HD13 LEU 2 40.656 20.897 8.072
21 HD21 LEU 2 HD21 LEU 2 37.555 18.688 7.650
22 HD22 LEU 2 HD22 LEU 2 39.327 18.662 7.479
23 HD23 LEU 2 HD23 LEU 2 38.327 19.501 6.268
24 H ARG 3 HN ARG 3 39.236 19.306 11.758
25 HA ARG 3 HA ARG 3 38.370 20.502 14.382
26 HB2 ARG 3 HB2 ARG 3 37.501 17.808 13.246
27 HB3 ARG 3 HB1 ARG 3 37.128 18.426 14.875
28 HG2 ARG 3 HG2 ARG 3 35.940 20.358 13.864
29 HG3 ARG 3 HG1 ARG 3 36.295 19.721 12.241
30 HD2 ARG 3 HD2 ARG 3 34.013 19.081 12.954
31 HD3 ARG 3 HD1 ARG 3 35.050 17.645 12.784
32 HE ARG 3 HE ARG 3 35.167 18.580 15.495
33 HH11 ARG 3 HH11 ARG 3 32.971 18.483 16.609
34 HH12 ARG 3 HH12 ARG 3 32.101 17.017 16.306
35 HH21 ARG 3 HH21 ARG 3 34.092 16.076 13.627
36 HH22 ARG 3 HH22 ARG 3 32.736 15.653 14.619
37 H ARG 4 HN ARG 4 40.475 18.617 12.465
38 HA ARG 4 HA ARG 4 42.345 18.287 14.637
39 HB2 ARG 4 HB2 ARG 4 40.534 16.427 14.999
40 HB3 ARG 4 HB1 ARG 4 41.276 15.641 13.589
41 HG2 ARG 4 HG2 ARG 4 43.457 15.594 14.717
42 HG3 ARG 4 HG1 ARG 4 42.793 16.497 16.098
43 HD2 ARG 4 HD2 ARG 4 41.862 13.746 15.167
44 HD3 ARG 4 HD1 ARG 4 42.891 14.069 16.584
45 HE ARG 4 HE ARG 4 40.421 15.582 16.713
46 HH11 ARG 4 HH11 ARG 4 39.931 12.541 16.105
47 HH12 ARG 4 HH12 ARG 4 39.613 11.977 17.711
48 HH21 ARG 4 HH21 ARG 4 40.834 14.837 19.244
49 HH22 ARG 4 HH22 ARG 4 40.123 13.276 19.487
50 H ILE 5 HN ILE 5 41.680 18.963 11.653
51 HA ILE 5 HA ILE 5 42.637 18.606 9.545
52 HB ILE 5 HB ILE 5 44.038 20.350 10.312
53 HG12 ILE 5 HG12 ILE 5 46.161 18.273 9.631
54 HG13 ILE 5 HG11 ILE 5 44.966 18.763 8.413
55 HG21 ILE 5 HG21 ILE 5 45.997 19.947 11.834
56 HG22 ILE 5 HG22 ILE 5 45.463 18.265 12.020
57 HG23 ILE 5 HG23 ILE 5 44.431 19.596 12.587
58 HD11 ILE 5 HD1 ILE 5 45.656 21.190 8.880
59 HD12 ILE 5 HD2 ILE 5 46.879 20.174 8.087
60 HD13 ILE 5 HD3 ILE 5 47.013 20.528 9.823
61 H GLY 6 HN GLY 6 42.272 16.583 8.806
62 HA2 GLY 6 HA1 GLY 6 44.411 14.899 8.219
63 HA3 GLY 6 HA2 GLY 6 43.765 14.286 9.755
64 H LYS 7 HN LYS 7 41.018 15.219 9.054
65 HA LYS 7 HA LYS 7 40.176 12.769 7.738
66 HB2 LYS 7 HB2 LYS 7 38.589 15.288 8.377
67 HB3 LYS 7 HB1 LYS 7 37.915 13.689 7.978
68 HG2 LYS 7 HG2 LYS 7 39.172 12.754 9.969
69 HG3 LYS 7 HG1 LYS 7 39.596 14.425 10.410
70 HD2 LYS 7 HD2 LYS 7 37.203 15.014 10.551
71 HD3 LYS 7 HD1 LYS 7 36.759 13.357 10.073
72 HE2 LYS 7 HE2 LYS 7 36.639 13.664 12.540
73 HE3 LYS 7 HE1 LYS 7 37.868 12.458 12.084
74 HZ1 LYS 7 HZ1 LYS 7 38.388 14.426 13.746
75 HZ2 LYS 7 HZ2 LYS 7 38.716 15.256 12.300
76 HZ3 LYS 7 HZ3 LYS 7 39.561 13.829 12.676
77 H GLY 8 HN GLY 8 38.811 12.677 5.811
78 HA2 GLY 8 HA1 GLY 8 38.433 13.117 3.573
79 HA3 GLY 8 HA2 GLY 8 38.649 14.838 3.950
80 H VAL 9 HN VAL 9 39.477 13.375 1.565
81 HA VAL 9 HA VAL 9 42.292 12.827 1.648
82 HB VAL 9 HB VAL 9 40.571 13.753 -0.697
83 HG11 VAL 9 HG11 VAL 9 43.358 12.538 -0.505
84 HG12 VAL 9 HG12 VAL 9 42.892 14.078 -1.264
85 HG13 VAL 9 HG13 VAL 9 42.402 12.536 -2.005
86 HG21 VAL 9 HG21 VAL 9 40.356 11.380 -1.201
87 HG22 VAL 9 HG22 VAL 9 39.842 11.641 0.484
88 HG23 VAL 9 HG23 VAL 9 41.447 10.955 0.139
89 H LYS 10 HN LYS 10 41.022 15.467 -0.377
90 HA LYS 10 HA LYS 10 42.315 17.590 1.089
91 HB2 LYS 10 HB2 LYS 10 44.342 16.359 0.233
92 HB3 LYS 10 HB1 LYS 10 43.779 16.689 -1.423
93 HG2 LYS 10 HG2 LYS 10 43.855 19.107 -1.001
94 HG3 LYS 10 HG1 LYS 10 44.328 18.818 0.692
95 HD2 LYS 10 HD2 LYS 10 46.405 17.720 -0.054
96 HD3 LYS 10 HD1 LYS 10 45.930 17.947 -1.755
97 HE2 LYS 10 HE2 LYS 10 45.912 20.409 -1.414
98 HE3 LYS 10 HE1 LYS 10 46.417 20.172 0.276
99 HZ1 LYS 10 HZ1 LYS 10 48.015 18.898 -1.826
100 HZ2 LYS 10 HZ2 LYS 10 48.503 19.556 -0.337
101 HZ3 LYS 10 HZ3 LYS 10 48.152 20.580 -1.647
102 H ILE 11 HN ILE 11 40.879 16.232 -1.790
103 HA ILE 11 HA ILE 11 39.713 18.923 -2.436
104 HB ILE 11 HB ILE 11 40.753 17.027 -4.582
105 HG12 ILE 11 HG12 ILE 11 42.067 19.495 -3.353
106 HG13 ILE 11 HG11 ILE 11 42.680 17.827 -3.295
107 HG21 ILE 11 HG21 ILE 11 38.878 18.735 -5.043
108 HG22 ILE 11 HG22 ILE 11 40.316 18.852 -6.082
109 HG23 ILE 11 HG23 ILE 11 40.092 19.999 -4.739
110 HD11 ILE 11 HD1 ILE 11 42.626 17.930 -5.901
111 HD12 ILE 11 HD2 ILE 11 43.912 18.828 -5.060
112 HD13 ILE 11 HD3 ILE 11 42.488 19.691 -5.684
113 H ILE 12 HN ILE 12 39.732 15.397 -3.017
114 HA ILE 12 HA ILE 12 36.911 15.448 -3.892
115 HB ILE 12 HB ILE 12 38.819 13.164 -3.269
116 HG12 ILE 12 HG12 ILE 12 37.965 13.955 -6.082
117 HG13 ILE 12 HG11 ILE 12 39.255 14.877 -5.280
118 HG21 ILE 12 HG21 ILE 12 36.686 12.157 -3.159
119 HG22 ILE 12 HG22 ILE 12 37.065 11.956 -4.880
120 HG23 ILE 12 HG23 ILE 12 35.982 13.265 -4.359
121 HD11 ILE 12 HD1 ILE 12 40.663 12.970 -5.088
122 HD12 ILE 12 HD2 ILE 12 39.980 12.865 -6.727
123 HD13 ILE 12 HD3 ILE 12 39.333 11.840 -5.428
124 H GLY 13 HN GLY 13 38.128 12.925 -1.740
125 HA2 GLY 13 HA1 GLY 13 35.880 13.079 0.018
126 HA3 GLY 13 HA2 GLY 13 37.434 12.295 0.382
127 H GLY 14 HN GLY 14 38.332 15.116 -0.645
128 HA2 GLY 14 HA1 GLY 14 38.757 16.259 2.044
129 HA3 GLY 14 HA2 GLY 14 39.429 16.845 0.506
130 H ALA 15 HN ALA 15 37.180 17.179 -1.088
131 HA ALA 15 HA ALA 15 35.916 19.511 0.324
132 HB1 ALA 15 HB1 ALA 15 35.477 18.575 -2.536
133 HB2 ALA 15 HB2 ALA 15 36.796 19.675 -2.055
134 HB3 ALA 15 HB3 ALA 15 35.101 20.164 -1.832
135 H ALA 16 HN ALA 16 35.491 16.723 1.075
136 HA ALA 16 HA ALA 16 33.696 15.511 1.874
137 HB1 ALA 16 HB1 ALA 16 32.588 17.894 1.921
138 HB2 ALA 16 HB2 ALA 16 31.557 16.448 2.034
139 HB3 ALA 16 HB3 ALA 16 31.702 17.319 0.490
140 H LEU 17 HN LEU 17 35.069 14.675 -0.340
141 HA LEU 17 HA LEU 17 34.840 13.182 -2.108
142 HB2 LEU 17 HB2 LEU 17 31.879 12.988 -1.438
143 HB3 LEU 17 HB1 LEU 17 32.866 11.811 -2.322
144 HG LEU 17 HG LEU 17 33.631 12.560 0.526
145 HD11 LEU 17 HD11 LEU 17 31.256 11.986 0.681
146 HD12 LEU 17 HD12 LEU 17 32.238 10.647 1.322
147 HD13 LEU 17 HD13 LEU 17 31.519 10.526 -0.301
148 HD21 LEU 17 HD21 LEU 17 35.087 11.120 -1.026
149 HD22 LEU 17 HD22 LEU 17 33.796 9.901 -0.959
150 HD23 LEU 17 HD23 LEU 17 34.651 10.374 0.528
151 H ASP 18 HN ASP 18 34.052 16.165 -2.207
152 HA ASP 18 HA ASP 18 33.407 17.651 -3.858
153 HB2 ASP 18 HB2 ASP 18 34.977 16.169 -5.194
154 HB3 ASP 18 HB1 ASP 18 33.542 15.293 -5.775
155 H HIS 19 HN HIS 19 31.900 14.722 -5.279
156 HA HIS 19 HA HIS 19 29.216 15.604 -4.410
157 HB2 HIS 19 HB2 HIS 19 28.349 15.738 -6.735
158 HB3 HIS 19 HB1 HIS 19 29.553 17.005 -6.397
159 HD1 HIS 19 HD1 HIS 19 31.936 14.685 -6.573
160 HD2 HIS 19 HD2 HIS 19 29.140 15.786 -9.516
161 HE1 HIS 19 HE1 HIS 19 32.925 14.042 -8.841
162 H LEU 20 HN LEU 20 30.413 13.360 -3.594
163 HA LEU 20 HA LEU 20 30.271 11.047 -3.593
164 HB2 LEU 20 HB2 LEU 20 27.935 11.472 -3.170
165 HB3 LEU 20 HB1 LEU 20 27.623 11.811 -4.886
166 HG LEU 20 HG LEU 20 27.981 9.491 -5.491
167 HD11 LEU 20 HD11 LEU 20 28.461 7.817 -3.565
168 HD12 LEU 20 HD12 LEU 20 28.991 9.237 -2.630
169 HD13 LEU 20 HD13 LEU 20 29.824 8.802 -4.142
170 HD21 LEU 20 HD21 LEU 20 26.383 9.558 -2.894
171 HD22 LEU 20 HD22 LEU 20 26.180 8.417 -4.245
172 HD23 LEU 20 HD23 LEU 20 25.776 10.138 -4.463
Start of MODEL 68
1 H1 TRP 1 HT1 TRP 1 36.622 16.131 16.243
2 H2 TRP 1 HT2 TRP 1 38.036 15.819 15.355
3 H3 TRP 1 HT3 TRP 1 38.048 15.701 17.050
4 HA TRP 1 HA TRP 1 36.586 13.848 17.006
5 HB2 TRP 1 HB2 TRP 1 36.625 14.376 14.009
6 HB3 TRP 1 HB1 TRP 1 36.046 12.854 14.728
7 HD1 TRP 1 HD1 TRP 1 33.877 13.003 16.318
8 HE1 TRP 1 HE1 TRP 1 31.886 14.676 16.383
9 HE3 TRP 1 HE3 TRP 1 35.953 16.828 13.623
10 HZ2 TRP 1 HZ2 TRP 1 31.307 17.314 15.385
11 HZ3 TRP 1 HZ3 TRP 1 34.662 18.914 13.190
12 HH2 TRP 1 HH2 TRP 1 32.343 19.160 14.068
13 H LEU 2 HN LEU 2 37.171 11.632 15.701
14 HA LEU 2 HA LEU 2 39.954 11.190 16.370
15 HB2 LEU 2 HB2 LEU 2 37.913 9.548 16.405
16 HB3 LEU 2 HB1 LEU 2 38.254 9.332 14.677
17 HG LEU 2 HG LEU 2 40.755 8.915 15.517
18 HD11 LEU 2 HD11 LEU 2 40.762 7.736 17.734
19 HD12 LEU 2 HD12 LEU 2 39.090 8.280 17.997
20 HD13 LEU 2 HD13 LEU 2 40.406 9.471 17.880
21 HD21 LEU 2 HD21 LEU 2 40.246 6.491 15.745
22 HD22 LEU 2 HD22 LEU 2 39.354 7.224 14.389
23 HD23 LEU 2 HD23 LEU 2 38.518 6.878 15.922
24 H ARG 3 HN ARG 3 38.519 12.672 13.769
25 HA ARG 3 HA ARG 3 39.306 13.323 11.692
26 HB2 ARG 3 HB2 ARG 3 42.004 12.127 12.421
27 HB3 ARG 3 HB1 ARG 3 41.658 13.447 11.287
28 HG2 ARG 3 HG2 ARG 3 41.143 13.593 14.294
29 HG3 ARG 3 HG1 ARG 3 42.595 14.224 13.495
30 HD2 ARG 3 HD2 ARG 3 39.719 15.144 13.085
31 HD3 ARG 3 HD1 ARG 3 41.066 16.070 13.782
32 HE ARG 3 HE ARG 3 41.763 15.248 11.121
33 HH11 ARG 3 HH11 ARG 3 39.039 16.173 10.506
34 HH12 ARG 3 HH12 ARG 3 39.239 17.881 10.305
35 HH21 ARG 3 HH21 ARG 3 42.321 17.973 11.894
36 HH22 ARG 3 HH22 ARG 3 41.097 18.900 11.092
37 H ARG 4 HN ARG 4 41.365 10.430 12.177
38 HA ARG 4 HA ARG 4 41.149 9.349 9.640
39 HB2 ARG 4 HB2 ARG 4 42.515 8.468 11.570
40 HB3 ARG 4 HB1 ARG 4 41.034 7.701 12.193
41 HG2 ARG 4 HG2 ARG 4 40.791 6.433 10.083
42 HG3 ARG 4 HG1 ARG 4 42.261 7.210 9.443
43 HD2 ARG 4 HD2 ARG 4 43.633 6.188 11.159
44 HD3 ARG 4 HD1 ARG 4 42.197 5.576 12.014
45 HE ARG 4 HE ARG 4 42.326 4.592 9.281
46 HH11 ARG 4 HH11 ARG 4 42.600 2.348 9.124
47 HH12 ARG 4 HH12 ARG 4 43.384 1.496 10.412
48 HH21 ARG 4 HH21 ARG 4 43.747 4.311 12.406
49 HH22 ARG 4 HH22 ARG 4 44.033 2.607 12.271
50 H ILE 5 HN ILE 5 38.657 9.497 12.098
51 HA ILE 5 HA ILE 5 36.977 7.445 10.817
52 HB ILE 5 HB ILE 5 36.893 7.917 13.284
53 HG12 ILE 5 HG12 ILE 5 34.280 8.476 11.801
54 HG13 ILE 5 HG11 ILE 5 34.998 6.862 12.009
55 HG21 ILE 5 HG21 ILE 5 35.382 10.447 12.517
56 HG22 ILE 5 HG22 ILE 5 37.116 10.458 12.918
57 HG23 ILE 5 HG23 ILE 5 35.925 9.936 14.132
58 HD11 ILE 5 HD1 ILE 5 34.974 7.361 14.548
59 HD12 ILE 5 HD2 ILE 5 33.405 7.054 13.770
60 HD13 ILE 5 HD3 ILE 5 33.897 8.721 14.147
61 H GLY 6 HN GLY 6 37.220 10.992 10.912
62 HA2 GLY 6 HA1 GLY 6 34.753 11.471 9.500
63 HA3 GLY 6 HA2 GLY 6 36.097 12.614 9.699
64 H LYS 7 HN LYS 7 38.027 10.687 8.511
65 HA LYS 7 HA LYS 7 38.954 10.334 6.423
66 HB2 LYS 7 HB2 LYS 7 36.036 9.842 5.710
67 HB3 LYS 7 HB1 LYS 7 37.415 9.465 4.650
68 HG2 LYS 7 HG2 LYS 7 38.291 7.851 6.190
69 HG3 LYS 7 HG1 LYS 7 37.219 8.405 7.497
70 HD2 LYS 7 HD2 LYS 7 36.431 6.269 6.463
71 HD3 LYS 7 HD1 LYS 7 35.251 7.589 6.283
72 HE2 LYS 7 HE2 LYS 7 35.755 6.135 4.191
73 HE3 LYS 7 HE1 LYS 7 35.773 7.902 3.988
74 HZ1 LYS 7 HZ1 LYS 7 37.707 6.890 2.965
75 HZ2 LYS 7 HZ2 LYS 7 38.151 6.162 4.433
76 HZ3 LYS 7 HZ3 LYS 7 38.187 7.853 4.275
77 H GLY 8 HN GLY 8 39.894 11.922 5.353
78 HA2 GLY 8 HA1 GLY 8 38.326 13.618 3.556
79 HA3 GLY 8 HA2 GLY 8 39.001 14.493 4.946
80 H VAL 9 HN VAL 9 39.507 13.730 1.784
81 HA VAL 9 HA VAL 9 42.374 13.178 1.872
82 HB VAL 9 HB VAL 9 40.630 14.133 -0.446
83 HG11 VAL 9 HG11 VAL 9 43.452 12.997 -0.259
84 HG12 VAL 9 HG12 VAL 9 42.950 14.547 -0.972
85 HG13 VAL 9 HG13 VAL 9 42.519 13.021 -1.773
86 HG21 VAL 9 HG21 VAL 9 39.985 11.942 0.676
87 HG22 VAL 9 HG22 VAL 9 41.596 11.325 0.237
88 HG23 VAL 9 HG23 VAL 9 40.445 11.797 -1.037
89 H LYS 10 HN LYS 10 41.217 15.770 -0.217
90 HA LYS 10 HA LYS 10 42.136 17.957 1.423
91 HB2 LYS 10 HB2 LYS 10 44.322 16.753 0.839
92 HB3 LYS 10 HB1 LYS 10 44.025 17.230 -0.848
93 HG2 LYS 10 HG2 LYS 10 43.829 19.628 -0.044
94 HG3 LYS 10 HG1 LYS 10 44.367 19.072 1.558
95 HD2 LYS 10 HD2 LYS 10 45.927 18.661 -1.034
96 HD3 LYS 10 HD1 LYS 10 46.240 19.965 0.133
97 HE2 LYS 10 HE2 LYS 10 46.454 18.036 1.897
98 HE3 LYS 10 HE1 LYS 10 46.638 16.977 0.477
99 HZ1 LYS 10 HZ1 LYS 10 48.413 19.072 1.491
100 HZ2 LYS 10 HZ2 LYS 10 48.325 18.874 -0.194
101 HZ3 LYS 10 HZ3 LYS 10 48.789 17.572 0.794
102 H ILE 11 HN ILE 11 41.189 16.521 -1.607
103 HA ILE 11 HA ILE 11 40.062 19.169 -2.475
104 HB ILE 11 HB ILE 11 41.372 17.220 -4.412
105 HG12 ILE 11 HG12 ILE 11 42.529 19.726 -3.104
106 HG13 ILE 11 HG11 ILE 11 43.121 18.060 -2.909
107 HG21 ILE 11 HG21 ILE 11 41.128 18.997 -6.006
108 HG22 ILE 11 HG22 ILE 11 40.748 20.186 -4.736
109 HG23 ILE 11 HG23 ILE 11 39.573 18.914 -5.148
110 HD11 ILE 11 HD1 ILE 11 44.572 18.998 -4.537
111 HD12 ILE 11 HD2 ILE 11 43.242 19.836 -5.369
112 HD13 ILE 11 HD3 ILE 11 43.402 18.067 -5.500
113 H ILE 12 HN ILE 12 40.187 15.625 -2.926
114 HA ILE 12 HA ILE 12 37.474 15.634 -4.127
115 HB ILE 12 HB ILE 12 39.332 13.351 -3.357
116 HG12 ILE 12 HG12 ILE 12 38.833 14.609 -6.097
117 HG13 ILE 12 HG11 ILE 12 40.248 14.956 -5.077
118 HG21 ILE 12 HG21 ILE 12 36.823 13.463 -5.101
119 HG22 ILE 12 HG22 ILE 12 37.007 12.593 -3.562
120 HG23 ILE 12 HG23 ILE 12 37.900 12.053 -4.996
121 HD11 ILE 12 HD1 ILE 12 39.558 12.431 -6.594
122 HD12 ILE 12 HD2 ILE 12 40.503 12.284 -5.093
123 HD13 ILE 12 HD3 ILE 12 41.118 13.266 -6.441
124 H GLY 13 HN GLY 13 38.514 13.090 -1.903
125 HA2 GLY 13 HA1 GLY 13 36.090 13.191 -0.382
126 HA3 GLY 13 HA2 GLY 13 37.608 12.407 0.121
127 H GLY 14 HN GLY 14 38.599 15.246 -0.748
128 HA2 GLY 14 HA1 GLY 14 38.742 16.339 1.985
129 HA3 GLY 14 HA2 GLY 14 39.559 16.960 0.532
130 H ALA 15 HN ALA 15 37.479 17.306 -1.275
131 HA ALA 15 HA ALA 15 36.109 19.637 0.009
132 HB1 ALA 15 HB1 ALA 15 35.859 18.583 -2.834
133 HB2 ALA 15 HB2 ALA 15 37.075 19.777 -2.308
134 HB3 ALA 15 HB3 ALA 15 35.344 20.170 -2.221
135 H ALA 16 HN ALA 16 35.616 16.889 0.858
136 HA ALA 16 HA ALA 16 33.770 15.738 1.621
137 HB1 ALA 16 HB1 ALA 16 32.675 18.124 1.460
138 HB2 ALA 16 HB2 ALA 16 31.634 16.689 1.608
139 HB3 ALA 16 HB3 ALA 16 31.866 17.460 0.022
140 H LEU 17 HN LEU 17 35.302 14.998 -0.682
141 HA LEU 17 HA LEU 17 35.134 13.542 -2.494
142 HB2 LEU 17 HB2 LEU 17 33.605 12.485 -0.489
143 HB3 LEU 17 HB1 LEU 17 32.367 12.626 -1.751
144 HG LEU 17 HG LEU 17 35.061 11.216 -2.070
145 HD11 LEU 17 HD11 LEU 17 33.662 9.152 -2.108
146 HD12 LEU 17 HD12 LEU 17 32.227 10.137 -1.734
147 HD13 LEU 17 HD13 LEU 17 33.548 10.005 -0.550
148 HD21 LEU 17 HD21 LEU 17 34.230 12.141 -4.191
149 HD22 LEU 17 HD22 LEU 17 32.621 11.438 -3.892
150 HD23 LEU 17 HD23 LEU 17 34.017 10.375 -4.186
151 H ASP 18 HN ASP 18 34.210 16.267 -2.809
152 HA ASP 18 HA ASP 18 33.117 17.566 -4.382
153 HB2 ASP 18 HB2 ASP 18 34.312 15.973 -5.918
154 HB3 ASP 18 HB1 ASP 18 32.837 14.981 -5.962
155 H HIS 19 HN HIS 19 31.344 14.530 -5.055
156 HA HIS 19 HA HIS 19 28.964 15.498 -3.597
157 HB2 HIS 19 HB2 HIS 19 27.522 15.393 -5.641
158 HB3 HIS 19 HB1 HIS 19 28.698 16.729 -5.683
159 HD1 HIS 19 HD1 HIS 19 30.805 13.973 -6.201
160 HD2 HIS 19 HD2 HIS 19 27.883 15.777 -8.628
161 HE1 HIS 19 HE1 HIS 19 31.335 13.351 -8.621
162 H LEU 20 HN LEU 20 30.116 13.390 -2.737
163 HA LEU 20 HA LEU 20 29.918 11.110 -2.386
164 HB2 LEU 20 HB2 LEU 20 27.472 11.842 -2.278
165 HB3 LEU 20 HB1 LEU 20 27.329 11.304 -3.965
166 HG LEU 20 HG LEU 20 28.375 9.036 -3.054
167 HD11 LEU 20 HD11 LEU 20 27.239 10.308 -0.520
168 HD12 LEU 20 HD12 LEU 20 28.911 9.760 -0.784
169 HD13 LEU 20 HD13 LEU 20 27.590 8.575 -0.702
170 HD21 LEU 20 HD21 LEU 20 26.081 8.220 -2.500
171 HD22 LEU 20 HD22 LEU 20 26.102 9.228 -3.968
172 HD23 LEU 20 HD23 LEU 20 25.517 9.907 -2.429
Start of MODEL 69
1 H1 TRP 1 HT1 TRP 1 37.546 7.890 12.448
2 H2 TRP 1 HT2 TRP 1 36.408 9.137 12.646
3 H3 TRP 1 HT3 TRP 1 37.006 8.302 14.000
4 HA TRP 1 HA TRP 1 38.768 9.563 14.171
5 HB2 TRP 1 HB2 TRP 1 38.963 9.386 11.137
6 HB3 TRP 1 HB1 TRP 1 40.191 10.108 12.205
7 HD1 TRP 1 HD1 TRP 1 40.978 8.309 14.282
8 HE1 TRP 1 HE1 TRP 1 41.651 5.810 14.030
9 HE3 TRP 1 HE3 TRP 1 38.731 7.317 9.789
10 HZ2 TRP 1 HZ2 TRP 1 41.251 3.693 12.119
11 HZ3 TRP 1 HZ3 TRP 1 38.890 5.051 8.771
12 HH2 TRP 1 HH2 TRP 1 40.148 3.239 9.930
13 H LEU 2 HN LEU 2 39.688 11.795 13.153
14 HA LEU 2 HA LEU 2 37.505 13.665 13.511
15 HB2 LEU 2 HB2 LEU 2 40.256 14.264 12.371
16 HB3 LEU 2 HB1 LEU 2 39.175 15.364 13.262
17 HG LEU 2 HG LEU 2 40.546 12.876 14.382
18 HD11 LEU 2 HD11 LEU 2 42.070 14.782 14.059
19 HD12 LEU 2 HD12 LEU 2 41.746 14.552 15.793
20 HD13 LEU 2 HD13 LEU 2 40.933 15.860 14.900
21 HD21 LEU 2 HD21 LEU 2 38.493 14.811 15.532
22 HD22 LEU 2 HD22 LEU 2 39.610 13.916 16.590
23 HD23 LEU 2 HD23 LEU 2 38.475 13.031 15.547
24 H ARG 3 HN ARG 3 38.398 11.790 10.911
25 HA ARG 3 HA ARG 3 37.553 11.747 8.752
26 HB2 ARG 3 HB2 ARG 3 35.614 13.161 9.855
27 HB3 ARG 3 HB1 ARG 3 36.367 14.529 9.005
28 HG2 ARG 3 HG2 ARG 3 36.231 13.214 6.866
29 HG3 ARG 3 HG1 ARG 3 35.348 11.944 7.747
30 HD2 ARG 3 HD2 ARG 3 33.786 13.489 6.591
31 HD3 ARG 3 HD1 ARG 3 33.591 13.575 8.358
32 HE ARG 3 HE ARG 3 35.453 15.574 7.706
33 HH11 ARG 3 HH11 ARG 3 33.211 15.207 5.412
34 HH12 ARG 3 HH12 ARG 3 32.261 16.608 5.778
35 HH21 ARG 3 HH21 ARG 3 33.805 17.182 8.830
36 HH22 ARG 3 HH22 ARG 3 32.598 17.727 7.712
37 H ARG 4 HN ARG 4 38.718 14.982 9.774
38 HA ARG 4 HA ARG 4 39.818 15.610 7.167
39 HB2 ARG 4 HB2 ARG 4 40.356 16.727 9.947
40 HB3 ARG 4 HB1 ARG 4 41.049 17.401 8.452
41 HG2 ARG 4 HG2 ARG 4 38.797 17.806 7.554
42 HG3 ARG 4 HG1 ARG 4 38.066 17.061 8.996
43 HD2 ARG 4 HD2 ARG 4 38.103 19.570 9.101
44 HD3 ARG 4 HD1 ARG 4 39.007 18.804 10.430
45 HE ARG 4 HE ARG 4 40.924 19.236 8.461
46 HH11 ARG 4 HH11 ARG 4 40.472 20.699 11.188
47 HH12 ARG 4 HH12 ARG 4 40.565 22.344 10.656
48 HH21 ARG 4 HH21 ARG 4 40.235 21.556 7.296
49 HH22 ARG 4 HH22 ARG 4 40.434 22.829 8.452
50 H ILE 5 HN ILE 5 41.196 14.395 10.239
51 HA ILE 5 HA ILE 5 43.864 14.082 9.010
52 HB ILE 5 HB ILE 5 42.890 13.024 11.697
53 HG12 ILE 5 HG12 ILE 5 42.357 15.350 11.775
54 HG13 ILE 5 HG11 ILE 5 43.920 15.206 12.600
55 HG21 ILE 5 HG21 ILE 5 45.395 13.457 12.222
56 HG22 ILE 5 HG22 ILE 5 45.616 13.571 10.462
57 HG23 ILE 5 HG23 ILE 5 44.998 12.073 11.183
58 HD11 ILE 5 HD1 ILE 5 44.996 15.796 10.326
59 HD12 ILE 5 HD2 ILE 5 44.121 17.099 11.155
60 HD13 ILE 5 HD3 ILE 5 43.359 16.244 9.795
61 H GLY 6 HN GLY 6 40.961 12.243 9.388
62 HA2 GLY 6 HA1 GLY 6 42.158 9.615 9.389
63 HA3 GLY 6 HA2 GLY 6 40.476 10.012 8.989
64 H LYS 7 HN LYS 7 41.280 11.927 6.883
65 HA LYS 7 HA LYS 7 42.801 10.406 4.911
66 HB2 LYS 7 HB2 LYS 7 40.708 9.111 4.852
67 HB3 LYS 7 HB1 LYS 7 39.781 10.606 4.580
68 HG2 LYS 7 HG2 LYS 7 40.736 10.942 2.420
69 HG3 LYS 7 HG1 LYS 7 42.041 9.771 2.722
70 HD2 LYS 7 HD2 LYS 7 40.267 8.847 1.224
71 HD3 LYS 7 HD1 LYS 7 40.428 7.920 2.734
72 HE2 LYS 7 HE2 LYS 7 38.451 8.881 3.663
73 HE3 LYS 7 HE1 LYS 7 38.408 10.177 2.442
74 HZ1 LYS 7 HZ1 LYS 7 38.104 8.383 0.753
75 HZ2 LYS 7 HZ2 LYS 7 36.806 8.554 1.837
76 HZ3 LYS 7 HZ3 LYS 7 37.909 7.276 2.023
77 H GLY 8 HN GLY 8 39.903 12.422 4.395
78 HA2 GLY 8 HA1 GLY 8 39.708 14.410 3.212
79 HA3 GLY 8 HA2 GLY 8 40.994 14.962 4.303
80 H VAL 9 HN VAL 9 40.211 13.686 1.119
81 HA VAL 9 HA VAL 9 42.954 13.600 0.179
82 HB VAL 9 HB VAL 9 40.520 14.001 -1.610
83 HG11 VAL 9 HG11 VAL 9 43.146 12.459 -1.870
84 HG12 VAL 9 HG12 VAL 9 42.692 13.939 -2.745
85 HG13 VAL 9 HG13 VAL 9 41.831 12.419 -3.066
86 HG21 VAL 9 HG21 VAL 9 41.414 11.477 -0.153
87 HG22 VAL 9 HG22 VAL 9 40.287 11.485 -1.531
88 HG23 VAL 9 HG23 VAL 9 39.842 12.300 -0.013
89 H LYS 10 HN LYS 10 41.155 16.123 1.228
90 HA LYS 10 HA LYS 10 41.398 18.413 1.057
91 HB2 LYS 10 HB2 LYS 10 43.742 17.936 -0.813
92 HB3 LYS 10 HB1 LYS 10 43.408 19.372 0.174
93 HG2 LYS 10 HG2 LYS 10 43.839 18.189 2.223
94 HG3 LYS 10 HG1 LYS 10 43.871 16.616 1.393
95 HD2 LYS 10 HD2 LYS 10 45.876 17.264 0.152
96 HD3 LYS 10 HD1 LYS 10 45.835 18.887 0.885
97 HE2 LYS 10 HE2 LYS 10 46.223 16.241 2.353
98 HE3 LYS 10 HE1 LYS 10 47.452 17.503 2.097
99 HZ1 LYS 10 HZ1 LYS 10 45.598 18.967 3.235
100 HZ2 LYS 10 HZ2 LYS 10 46.716 18.077 4.155
101 HZ3 LYS 10 HZ3 LYS 10 45.146 17.477 3.909
102 H ILE 11 HN ILE 11 40.941 16.420 -1.680
103 HA ILE 11 HA ILE 11 39.855 18.769 -3.239
104 HB ILE 11 HB ILE 11 40.983 16.223 -4.462
105 HG12 ILE 11 HG12 ILE 11 42.364 18.914 -4.033
106 HG13 ILE 11 HG11 ILE 11 42.788 17.388 -3.223
107 HG21 ILE 11 HG21 ILE 11 40.609 18.986 -5.692
108 HG22 ILE 11 HG22 ILE 11 39.327 17.753 -5.718
109 HG23 ILE 11 HG23 ILE 11 40.878 17.439 -6.528
110 HD11 ILE 11 HD1 ILE 11 43.103 18.128 -6.151
111 HD12 ILE 11 HD2 ILE 11 43.085 16.426 -5.627
112 HD13 ILE 11 HD3 ILE 11 44.336 17.534 -5.016
113 H ILE 12 HN ILE 12 39.679 15.237 -2.661
114 HA ILE 12 HA ILE 12 36.902 15.205 -3.762
115 HB ILE 12 HB ILE 12 38.698 12.968 -2.753
116 HG12 ILE 12 HG12 ILE 12 37.996 13.647 -5.650
117 HG13 ILE 12 HG11 ILE 12 39.451 14.278 -4.851
118 HG21 ILE 12 HG21 ILE 12 36.994 11.604 -4.235
119 HG22 ILE 12 HG22 ILE 12 35.948 13.028 -4.059
120 HG23 ILE 12 HG23 ILE 12 36.481 12.126 -2.622
121 HD11 ILE 12 HD1 ILE 12 40.311 12.355 -5.874
122 HD12 ILE 12 HD2 ILE 12 38.805 11.436 -5.674
123 HD13 ILE 12 HD3 ILE 12 39.880 11.698 -4.280
124 H GLY 13 HN GLY 13 37.894 12.941 -1.258
125 HA2 GLY 13 HA1 GLY 13 35.620 13.455 0.377
126 HA3 GLY 13 HA2 GLY 13 37.114 12.648 0.908
127 H GLY 14 HN GLY 14 38.233 15.246 -0.402
128 HA2 GLY 14 HA1 GLY 14 38.558 16.727 2.134
129 HA3 GLY 14 HA2 GLY 14 39.369 17.049 0.585
130 H ALA 15 HN ALA 15 37.322 17.279 -1.223
131 HA ALA 15 HA ALA 15 36.107 19.855 -0.303
132 HB1 ALA 15 HB1 ALA 15 35.465 20.163 -2.582
133 HB2 ALA 15 HB2 ALA 15 35.713 18.444 -2.965
134 HB3 ALA 15 HB3 ALA 15 37.111 19.494 -2.623
135 H ALA 16 HN ALA 16 35.456 17.274 0.916
136 HA ALA 16 HA ALA 16 33.563 16.296 1.787
137 HB1 ALA 16 HB1 ALA 16 31.768 18.034 0.076
138 HB2 ALA 16 HB2 ALA 16 32.636 18.725 1.467
139 HB3 ALA 16 HB3 ALA 16 31.488 17.387 1.709
140 H LEU 17 HN LEU 17 34.937 15.057 -0.222
141 HA LEU 17 HA LEU 17 34.658 13.361 -1.787
142 HB2 LEU 17 HB2 LEU 17 31.673 13.443 -1.201
143 HB3 LEU 17 HB1 LEU 17 32.604 12.093 -1.871
144 HG LEU 17 HG LEU 17 33.331 13.192 0.871
145 HD11 LEU 17 HD11 LEU 17 30.935 12.803 1.047
146 HD12 LEU 17 HD12 LEU 17 31.793 11.469 1.857
147 HD13 LEU 17 HD13 LEU 17 31.093 11.226 0.238
148 HD21 LEU 17 HD21 LEU 17 34.246 11.002 1.213
149 HD22 LEU 17 HD22 LEU 17 34.712 11.442 -0.445
150 HD23 LEU 17 HD23 LEU 17 33.356 10.328 -0.172
151 H ASP 18 HN ASP 18 34.208 16.304 -2.371
152 HA ASP 18 HA ASP 18 33.656 17.603 -4.206
153 HB2 ASP 18 HB2 ASP 18 35.142 16.024 -5.368
154 HB3 ASP 18 HB1 ASP 18 33.774 14.920 -5.644
155 H HIS 19 HN HIS 19 31.978 14.700 -5.416
156 HA HIS 19 HA HIS 19 29.629 16.066 -6.165
157 HB2 HIS 19 HB2 HIS 19 29.955 13.171 -5.279
158 HB3 HIS 19 HB1 HIS 19 28.549 13.825 -6.154
159 HD1 HIS 19 HD1 HIS 19 30.088 15.714 -8.131
160 HD2 HIS 19 HD2 HIS 19 31.172 11.729 -7.334
161 HE1 HIS 19 HE1 HIS 19 31.413 14.867 -10.144
162 H LEU 20 HN LEU 20 30.584 14.688 -3.049
163 HA LEU 20 HA LEU 20 29.553 14.759 -0.977
164 HB2 LEU 20 HB2 LEU 20 29.900 17.139 -1.152
165 HB3 LEU 20 HB1 LEU 20 28.499 17.324 -2.229
166 HG LEU 20 HG LEU 20 26.951 16.812 -0.435
167 HD11 LEU 20 HD11 LEU 20 28.010 15.051 0.776
168 HD12 LEU 20 HD12 LEU 20 27.949 16.406 1.925
169 HD13 LEU 20 HD13 LEU 20 29.469 16.023 1.081
170 HD21 LEU 20 HD21 LEU 20 29.149 18.622 0.661
171 HD22 LEU 20 HD22 LEU 20 27.428 18.644 1.119
172 HD23 LEU 20 HD23 LEU 20 27.920 19.122 -0.525
Start of MODEL 70
1 H1 TRP 1 HT1 TRP 1 49.102 16.611 14.169
2 H2 TRP 1 HT2 TRP 1 49.317 18.279 14.414
3 H3 TRP 1 HT3 TRP 1 49.809 17.558 12.955
4 HA TRP 1 HA TRP 1 47.176 18.341 13.870
5 HB2 TRP 1 HB2 TRP 1 48.658 18.209 11.216
6 HB3 TRP 1 HB1 TRP 1 46.949 18.685 11.355
7 HD1 TRP 1 HD1 TRP 1 46.427 21.084 12.135
8 HE1 TRP 1 HE1 TRP 1 47.838 23.160 12.811
9 HE3 TRP 1 HE3 TRP 1 51.030 18.865 12.449
10 HZ2 TRP 1 HZ2 TRP 1 50.593 23.745 13.404
11 HZ3 TRP 1 HZ3 TRP 1 53.036 20.202 13.073
12 HH2 TRP 1 HH2 TRP 1 52.823 22.638 13.550
13 H LEU 2 HN LEU 2 45.289 17.453 12.733
14 HA LEU 2 HA LEU 2 45.156 14.609 13.062
15 HB2 LEU 2 HB2 LEU 2 43.267 16.388 13.141
16 HB3 LEU 2 HB1 LEU 2 43.247 16.259 11.370
17 HG LEU 2 HG LEU 2 43.071 13.643 11.835
18 HD11 LEU 2 HD11 LEU 2 42.081 14.858 14.456
19 HD12 LEU 2 HD12 LEU 2 43.391 13.671 14.255
20 HD13 LEU 2 HD13 LEU 2 41.711 13.206 13.914
21 HD21 LEU 2 HD21 LEU 2 40.742 15.544 12.361
22 HD22 LEU 2 HD22 LEU 2 40.599 13.834 11.886
23 HD23 LEU 2 HD23 LEU 2 41.312 15.015 10.761
24 H ARG 3 HN ARG 3 46.293 16.590 10.509
25 HA ARG 3 HA ARG 3 47.260 16.019 8.489
26 HB2 ARG 3 HB2 ARG 3 47.810 13.804 9.790
27 HB3 ARG 3 HB1 ARG 3 46.492 13.099 8.829
28 HG2 ARG 3 HG2 ARG 3 47.619 13.869 6.744
29 HG3 ARG 3 HG1 ARG 3 48.958 14.515 7.722
30 HD2 ARG 3 HD2 ARG 3 49.216 12.157 8.692
31 HD3 ARG 3 HD1 ARG 3 48.101 11.611 7.415
32 HE ARG 3 HE ARG 3 49.865 11.865 5.864
33 HH11 ARG 3 HH11 ARG 3 51.221 12.148 8.840
34 HH12 ARG 3 HH12 ARG 3 52.514 13.207 8.385
35 HH21 ARG 3 HH21 ARG 3 51.226 13.857 5.231
36 HH22 ARG 3 HH22 ARG 3 52.517 14.174 6.342
37 H ARG 4 HN ARG 4 44.517 13.709 8.880
38 HA ARG 4 HA ARG 4 43.593 14.177 6.178
39 HB2 ARG 4 HB2 ARG 4 42.162 12.981 8.585
40 HB3 ARG 4 HB1 ARG 4 41.605 12.884 6.897
41 HG2 ARG 4 HG2 ARG 4 43.601 11.639 6.254
42 HG3 ARG 4 HG1 ARG 4 44.301 11.849 7.878
43 HD2 ARG 4 HD2 ARG 4 43.331 9.622 7.761
44 HD3 ARG 4 HD1 ARG 4 42.302 10.617 8.818
45 HE ARG 4 HE ARG 4 41.268 10.820 6.177
46 HH11 ARG 4 HH11 ARG 4 40.125 9.034 5.203
47 HH12 ARG 4 HH12 ARG 4 39.506 7.812 6.264
48 HH21 ARG 4 HH21 ARG 4 41.183 9.011 9.053
49 HH22 ARG 4 HH22 ARG 4 40.103 7.801 8.444
50 H ILE 5 HN ILE 5 43.698 16.253 8.684
51 HA ILE 5 HA ILE 5 42.584 18.213 9.186
52 HB ILE 5 HB ILE 5 41.085 17.869 6.557
53 HG12 ILE 5 HG12 ILE 5 43.386 17.585 5.963
54 HG13 ILE 5 HG11 ILE 5 43.011 19.280 5.604
55 HG21 ILE 5 HG21 ILE 5 41.327 20.462 6.666
56 HG22 ILE 5 HG22 ILE 5 41.710 20.217 8.385
57 HG23 ILE 5 HG23 ILE 5 40.145 19.684 7.738
58 HD11 ILE 5 HD1 ILE 5 45.119 19.325 6.720
59 HD12 ILE 5 HD2 ILE 5 44.589 18.152 7.946
60 HD13 ILE 5 HD3 ILE 5 43.945 19.810 7.962
61 H GLY 6 HN GLY 6 39.974 16.647 7.287
62 HA2 GLY 6 HA1 GLY 6 38.451 16.183 9.814
63 HA3 GLY 6 HA2 GLY 6 37.738 17.228 8.567
64 H LYS 7 HN LYS 7 39.542 14.121 8.589
65 HA LYS 7 HA LYS 7 39.043 12.100 7.574
66 HB2 LYS 7 HB2 LYS 7 36.126 12.941 7.684
67 HB3 LYS 7 HB1 LYS 7 36.798 11.292 7.707
68 HG2 LYS 7 HG2 LYS 7 37.966 11.893 9.878
69 HG3 LYS 7 HG1 LYS 7 37.044 13.415 9.879
70 HD2 LYS 7 HD2 LYS 7 34.923 12.038 9.712
71 HD3 LYS 7 HD1 LYS 7 35.922 10.583 9.956
72 HE2 LYS 7 HE2 LYS 7 35.779 12.954 11.871
73 HE3 LYS 7 HE1 LYS 7 34.932 11.404 12.094
74 HZ1 LYS 7 HZ1 LYS 7 37.312 10.440 11.769
75 HZ2 LYS 7 HZ2 LYS 7 36.851 11.068 13.279
76 HZ3 LYS 7 HZ3 LYS 7 37.816 11.993 12.230
77 H GLY 8 HN GLY 8 40.074 13.456 5.732
78 HA2 GLY 8 HA1 GLY 8 38.537 12.843 3.336
79 HA3 GLY 8 HA2 GLY 8 38.680 14.589 3.622
80 H VAL 9 HN VAL 9 39.713 13.394 1.339
81 HA VAL 9 HA VAL 9 42.524 12.756 1.680
82 HB VAL 9 HB VAL 9 41.013 13.661 -0.813
83 HG11 VAL 9 HG11 VAL 9 43.381 13.960 -1.165
84 HG12 VAL 9 HG12 VAL 9 42.940 12.421 -1.942
85 HG13 VAL 9 HG13 VAL 9 43.757 12.418 -0.360
86 HG21 VAL 9 HG21 VAL 9 41.769 10.869 0.162
87 HG22 VAL 9 HG22 VAL 9 40.857 11.267 -1.313
88 HG23 VAL 9 HG23 VAL 9 40.140 11.577 0.287
89 H LYS 10 HN LYS 10 41.324 15.394 -0.402
90 HA LYS 10 HA LYS 10 42.548 17.509 1.127
91 HB2 LYS 10 HB2 LYS 10 44.597 16.256 0.278
92 HB3 LYS 10 HB1 LYS 10 44.082 16.683 -1.364
93 HG2 LYS 10 HG2 LYS 10 45.638 18.379 -0.776
94 HG3 LYS 10 HG1 LYS 10 44.049 19.139 -0.558
95 HD2 LYS 10 HD2 LYS 10 44.173 19.016 1.812
96 HD3 LYS 10 HD1 LYS 10 45.454 17.784 1.779
97 HE2 LYS 10 HE2 LYS 10 46.161 20.196 2.365
98 HE3 LYS 10 HE1 LYS 10 47.104 19.363 1.107
99 HZ1 LYS 10 HZ1 LYS 10 46.269 21.739 0.660
100 HZ2 LYS 10 HZ2 LYS 10 44.758 21.012 0.386
101 HZ3 LYS 10 HZ3 LYS 10 46.097 20.579 -0.566
102 H ILE 11 HN ILE 11 41.298 16.182 -1.872
103 HA ILE 11 HA ILE 11 40.149 18.890 -2.533
104 HB ILE 11 HB ILE 11 41.082 16.889 -4.634
105 HG12 ILE 11 HG12 ILE 11 42.551 19.313 -3.495
106 HG13 ILE 11 HG11 ILE 11 43.049 17.613 -3.340
107 HG21 ILE 11 HG21 ILE 11 40.611 19.891 -4.858
108 HG22 ILE 11 HG22 ILE 11 39.311 18.703 -5.114
109 HG23 ILE 11 HG23 ILE 11 40.742 18.695 -6.170
110 HD11 ILE 11 HD1 ILE 11 43.014 17.570 -5.945
111 HD12 ILE 11 HD2 ILE 11 44.352 18.432 -5.148
112 HD13 ILE 11 HD3 ILE 11 42.987 19.347 -5.832
113 H ILE 12 HN ILE 12 40.020 15.362 -3.170
114 HA ILE 12 HA ILE 12 37.222 15.513 -4.024
115 HB ILE 12 HB ILE 12 38.958 13.146 -3.241
116 HG12 ILE 12 HG12 ILE 12 38.297 14.123 -6.061
117 HG13 ILE 12 HG11 ILE 12 39.753 14.651 -5.192
118 HG21 ILE 12 HG21 ILE 12 36.241 13.390 -4.600
119 HG22 ILE 12 HG22 ILE 12 36.697 12.378 -3.209
120 HG23 ILE 12 HG23 ILE 12 37.256 11.951 -4.835
121 HD11 ILE 12 HD1 ILE 12 39.070 11.907 -6.279
122 HD12 ILE 12 HD2 ILE 12 40.153 12.031 -4.872
123 HD13 ILE 12 HD3 ILE 12 40.586 12.824 -6.402
124 H GLY 13 HN GLY 13 38.197 12.999 -1.742
125 HA2 GLY 13 HA1 GLY 13 35.902 13.324 -0.083
126 HA3 GLY 13 HA2 GLY 13 37.410 12.502 0.382
127 H GLY 14 HN GLY 14 38.512 15.203 -0.690
128 HA2 GLY 14 HA1 GLY 14 38.859 16.444 1.954
129 HA3 GLY 14 HA2 GLY 14 39.601 16.954 0.421
130 H ALA 15 HN ALA 15 37.417 17.313 -1.258
131 HA ALA 15 HA ALA 15 36.219 19.751 0.012
132 HB1 ALA 15 HB1 ALA 15 35.369 20.250 -2.199
133 HB2 ALA 15 HB2 ALA 15 35.812 18.633 -2.789
134 HB3 ALA 15 HB3 ALA 15 37.083 19.804 -2.346
135 H ALA 16 HN ALA 16 35.670 17.042 0.945
136 HA ALA 16 HA ALA 16 33.818 15.978 1.822
137 HB1 ALA 16 HB1 ALA 16 32.804 18.401 1.652
138 HB2 ALA 16 HB2 ALA 16 31.720 17.010 1.885
139 HB3 ALA 16 HB3 ALA 16 31.904 17.734 0.271
140 H LEU 17 HN LEU 17 35.211 15.114 -0.509
141 HA LEU 17 HA LEU 17 34.916 13.552 -2.207
142 HB2 LEU 17 HB2 LEU 17 33.203 12.775 -0.209
143 HB3 LEU 17 HB1 LEU 17 32.044 12.974 -1.537
144 HG LEU 17 HG LEU 17 34.589 11.283 -1.666
145 HD11 LEU 17 HD11 LEU 17 31.674 10.402 -1.508
146 HD12 LEU 17 HD12 LEU 17 32.783 10.431 -0.115
147 HD13 LEU 17 HD13 LEU 17 33.115 9.358 -1.496
148 HD21 LEU 17 HD21 LEU 17 33.941 12.124 -3.867
149 HD22 LEU 17 HD22 LEU 17 32.242 11.674 -3.580
150 HD23 LEU 17 HD23 LEU 17 33.482 10.409 -3.756
151 H ASP 18 HN ASP 18 34.166 16.404 -2.533
152 HA ASP 18 HA ASP 18 33.125 17.770 -4.097
153 HB2 ASP 18 HB2 ASP 18 34.615 16.553 -5.598
154 HB3 ASP 18 HB1 ASP 18 33.436 15.230 -5.750
155 H HIS 19 HN HIS 19 31.654 14.950 -5.612
156 HA HIS 19 HA HIS 19 29.073 16.021 -5.747
157 HB2 HIS 19 HB2 HIS 19 29.841 13.089 -5.459
158 HB3 HIS 19 HB1 HIS 19 28.294 13.705 -6.090
159 HD1 HIS 19 HD1 HIS 19 32.013 13.542 -6.894
160 HD2 HIS 19 HD2 HIS 19 28.418 14.724 -8.729
161 HE1 HIS 19 HE1 HIS 19 32.512 13.924 -9.372
162 H LEU 20 HN LEU 20 30.711 14.574 -3.021
163 HA LEU 20 HA LEU 20 30.006 14.152 -0.855
164 HB2 LEU 20 HB2 LEU 20 29.741 16.543 -0.749
165 HB3 LEU 20 HB1 LEU 20 28.197 16.475 -1.626
166 HG LEU 20 HG LEU 20 27.089 15.411 0.247
167 HD11 LEU 20 HD11 LEU 20 29.913 15.139 1.353
168 HD12 LEU 20 HD12 LEU 20 28.701 13.862 1.085
169 HD13 LEU 20 HD13 LEU 20 28.481 15.034 2.405
170 HD21 LEU 20 HD21 LEU 20 27.366 17.134 1.987
171 HD22 LEU 20 HD22 LEU 20 27.424 17.878 0.371
172 HD23 LEU 20 HD23 LEU 20 28.929 17.614 1.285
Start of MODEL 71
1 H1 TRP 1 HT1 TRP 1 32.645 5.483 11.612
2 H2 TRP 1 HT2 TRP 1 34.254 4.965 11.779
3 H3 TRP 1 HT3 TRP 1 33.035 3.850 11.381
4 HA TRP 1 HA TRP 1 32.637 5.104 9.319
5 HB2 TRP 1 HB2 TRP 1 35.267 6.411 10.127
6 HB3 TRP 1 HB1 TRP 1 34.400 6.646 8.589
7 HD1 TRP 1 HD1 TRP 1 32.493 8.369 8.543
8 HE1 TRP 1 HE1 TRP 1 31.372 9.949 10.279
9 HE3 TRP 1 HE3 TRP 1 34.625 6.519 12.814
10 HZ2 TRP 1 HZ2 TRP 1 31.418 10.330 13.132
11 HZ3 TRP 1 HZ3 TRP 1 34.071 7.506 15.032
12 HH2 TRP 1 HH2 TRP 1 32.471 9.408 15.195
13 H LEU 2 HN LEU 2 33.868 4.535 7.360
14 HA LEU 2 HA LEU 2 35.092 1.918 7.699
15 HB2 LEU 2 HB2 LEU 2 35.133 3.604 5.177
16 HB3 LEU 2 HB1 LEU 2 35.149 1.829 5.323
17 HG LEU 2 HG LEU 2 32.844 3.694 6.045
18 HD11 LEU 2 HD11 LEU 2 32.997 1.476 3.962
19 HD12 LEU 2 HD12 LEU 2 33.312 3.187 3.590
20 HD13 LEU 2 HD13 LEU 2 31.706 2.683 4.171
21 HD21 LEU 2 HD21 LEU 2 31.643 1.407 6.334
22 HD22 LEU 2 HD22 LEU 2 32.742 1.914 7.636
23 HD23 LEU 2 HD23 LEU 2 33.275 0.704 6.443
24 H ARG 3 HN ARG 3 36.251 5.079 7.958
25 HA ARG 3 HA ARG 3 38.389 5.868 8.336
26 HB2 ARG 3 HB2 ARG 3 38.719 3.469 9.317
27 HB3 ARG 3 HB1 ARG 3 39.580 3.125 7.801
28 HG2 ARG 3 HG2 ARG 3 41.028 5.146 8.242
29 HG3 ARG 3 HG1 ARG 3 40.249 5.292 9.836
30 HD2 ARG 3 HD2 ARG 3 40.944 2.896 10.296
31 HD3 ARG 3 HD1 ARG 3 41.895 2.949 8.792
32 HE ARG 3 HE ARG 3 42.632 5.197 10.381
33 HH11 ARG 3 HH11 ARG 3 44.367 2.928 9.189
34 HH12 ARG 3 HH12 ARG 3 45.118 2.325 10.628
35 HH21 ARG 3 HH21 ARG 3 42.903 3.916 12.770
36 HH22 ARG 3 HH22 ARG 3 44.289 2.884 12.657
37 H ARG 4 HN ARG 4 37.927 3.643 5.608
38 HA ARG 4 HA ARG 4 40.108 4.769 4.044
39 HB2 ARG 4 HB2 ARG 4 39.144 2.459 3.735
40 HB3 ARG 4 HB1 ARG 4 37.676 3.219 3.073
41 HG2 ARG 4 HG2 ARG 4 38.965 4.263 1.279
42 HG3 ARG 4 HG1 ARG 4 40.488 3.661 1.977
43 HD2 ARG 4 HD2 ARG 4 38.201 1.922 0.948
44 HD3 ARG 4 HD1 ARG 4 39.734 2.227 0.096
45 HE ARG 4 HE ARG 4 40.534 1.240 2.564
46 HH11 ARG 4 HH11 ARG 4 39.308 0.163 -0.395
47 HH12 ARG 4 HH12 ARG 4 39.133 -1.490 0.090
48 HH21 ARG 4 HH21 ARG 4 39.916 -0.874 3.411
49 HH22 ARG 4 HH22 ARG 4 39.477 -2.077 2.245
50 H ILE 5 HN ILE 5 36.588 5.275 4.307
51 HA ILE 5 HA ILE 5 36.744 7.423 2.219
52 HB ILE 5 HB ILE 5 34.260 6.467 3.706
53 HG12 ILE 5 HG12 ILE 5 35.567 5.386 1.168
54 HG13 ILE 5 HG11 ILE 5 35.269 4.498 2.679
55 HG21 ILE 5 HG21 ILE 5 33.076 7.470 1.871
56 HG22 ILE 5 HG22 ILE 5 34.567 7.655 0.916
57 HG23 ILE 5 HG23 ILE 5 34.305 8.659 2.361
58 HD11 ILE 5 HD1 ILE 5 33.256 5.463 0.623
59 HD12 ILE 5 HD2 ILE 5 32.755 5.088 2.289
60 HD13 ILE 5 HD3 ILE 5 33.485 3.823 1.270
61 H GLY 6 HN GLY 6 35.888 6.874 5.649
62 HA2 GLY 6 HA1 GLY 6 34.996 9.453 6.301
63 HA3 GLY 6 HA2 GLY 6 35.845 8.365 7.417
64 H LYS 7 HN LYS 7 38.268 8.284 5.729
65 HA LYS 7 HA LYS 7 39.559 10.637 6.878
66 HB2 LYS 7 HB2 LYS 7 40.630 8.363 6.625
67 HB3 LYS 7 HB1 LYS 7 40.683 8.649 4.869
68 HG2 LYS 7 HG2 LYS 7 42.029 10.689 5.226
69 HG3 LYS 7 HG1 LYS 7 41.959 10.435 6.988
70 HD2 LYS 7 HD2 LYS 7 43.040 8.173 6.622
71 HD3 LYS 7 HD1 LYS 7 43.272 8.626 4.917
72 HE2 LYS 7 HE2 LYS 7 45.320 9.172 6.069
73 HE3 LYS 7 HE1 LYS 7 44.483 10.710 5.745
74 HZ1 LYS 7 HZ1 LYS 7 45.147 9.497 8.248
75 HZ2 LYS 7 HZ2 LYS 7 43.490 9.859 8.156
76 HZ3 LYS 7 HZ3 LYS 7 44.643 11.083 7.916
77 H GLY 8 HN GLY 8 38.974 12.555 6.000
78 HA2 GLY 8 HA1 GLY 8 38.455 12.898 3.181
79 HA3 GLY 8 HA2 GLY 8 38.666 14.186 4.383
80 H VAL 9 HN VAL 9 39.790 13.182 1.532
81 HA VAL 9 HA VAL 9 42.660 13.215 1.983
82 HB VAL 9 HB VAL 9 41.072 13.708 -0.578
83 HG11 VAL 9 HG11 VAL 9 44.015 13.151 -0.012
84 HG12 VAL 9 HG12 VAL 9 43.319 14.563 -0.845
85 HG13 VAL 9 HG13 VAL 9 43.278 12.963 -1.621
86 HG21 VAL 9 HG21 VAL 9 41.588 11.331 -1.034
87 HG22 VAL 9 HG22 VAL 9 40.648 11.496 0.467
88 HG23 VAL 9 HG23 VAL 9 42.401 11.200 0.544
89 H LYS 10 HN LYS 10 41.184 15.464 -0.334
90 HA LYS 10 HA LYS 10 41.615 17.838 1.245
91 HB2 LYS 10 HB2 LYS 10 43.999 17.192 0.919
92 HB3 LYS 10 HB1 LYS 10 43.751 17.246 -0.842
93 HG2 LYS 10 HG2 LYS 10 43.238 19.607 -0.775
94 HG3 LYS 10 HG1 LYS 10 43.190 19.603 1.004
95 HD2 LYS 10 HD2 LYS 10 45.584 19.056 1.098
96 HD3 LYS 10 HD1 LYS 10 45.653 18.963 -0.678
97 HE2 LYS 10 HE2 LYS 10 46.479 21.151 0.048
98 HE3 LYS 10 HE1 LYS 10 44.924 21.359 -0.793
99 HZ1 LYS 10 HZ1 LYS 10 43.863 21.910 1.119
100 HZ2 LYS 10 HZ2 LYS 10 45.416 22.439 1.560
101 HZ3 LYS 10 HZ3 LYS 10 44.841 20.934 2.101
102 H ILE 11 HN ILE 11 41.212 16.204 -1.840
103 HA ILE 11 HA ILE 11 39.812 18.664 -2.909
104 HB ILE 11 HB ILE 11 41.159 16.534 -4.616
105 HG12 ILE 11 HG12 ILE 11 42.281 19.183 -3.593
106 HG13 ILE 11 HG11 ILE 11 42.896 17.557 -3.216
107 HG21 ILE 11 HG21 ILE 11 39.332 18.115 -5.521
108 HG22 ILE 11 HG22 ILE 11 40.881 18.116 -6.393
109 HG23 ILE 11 HG23 ILE 11 40.496 19.437 -5.263
110 HD11 ILE 11 HD1 ILE 11 42.987 19.046 -5.861
111 HD12 ILE 11 HD2 ILE 11 43.179 17.277 -5.788
112 HD13 ILE 11 HD3 ILE 11 44.332 18.335 -4.941
113 H ILE 12 HN ILE 12 40.064 15.088 -3.207
114 HA ILE 12 HA ILE 12 37.311 14.947 -4.266
115 HB ILE 12 HB ILE 12 39.241 12.770 -3.390
116 HG12 ILE 12 HG12 ILE 12 40.264 14.070 -5.166
117 HG13 ILE 12 HG11 ILE 12 39.719 12.528 -5.857
118 HG21 ILE 12 HG21 ILE 12 37.214 11.619 -3.521
119 HG22 ILE 12 HG22 ILE 12 37.699 11.514 -5.226
120 HG23 ILE 12 HG23 ILE 12 36.515 12.739 -4.710
121 HD11 ILE 12 HD1 ILE 12 38.991 14.101 -7.456
122 HD12 ILE 12 HD2 ILE 12 38.549 15.303 -6.224
123 HD13 ILE 12 HD3 ILE 12 37.531 13.865 -6.471
124 H GLY 13 HN GLY 13 38.337 12.468 -2.003
125 HA2 GLY 13 HA1 GLY 13 35.981 12.555 -0.446
126 HA3 GLY 13 HA2 GLY 13 37.544 11.911 0.105
127 H GLY 14 HN GLY 14 38.455 14.705 -0.828
128 HA2 GLY 14 HA1 GLY 14 38.431 15.945 1.835
129 HA3 GLY 14 HA2 GLY 14 39.252 16.546 0.376
130 H ALA 15 HN ALA 15 37.249 16.763 -1.505
131 HA ALA 15 HA ALA 15 35.671 19.014 -0.310
132 HB1 ALA 15 HB1 ALA 15 36.789 19.178 -2.581
133 HB2 ALA 15 HB2 ALA 15 35.054 19.561 -2.557
134 HB3 ALA 15 HB3 ALA 15 35.604 17.984 -3.166
135 H ALA 16 HN ALA 16 35.308 16.214 0.469
136 HA ALA 16 HA ALA 16 33.480 14.968 1.135
137 HB1 ALA 16 HB1 ALA 16 31.298 15.787 0.987
138 HB2 ALA 16 HB2 ALA 16 31.574 16.553 -0.595
139 HB3 ALA 16 HB3 ALA 16 32.252 17.283 0.879
140 H LEU 17 HN LEU 17 35.188 14.219 -0.970
141 HA LEU 17 HA LEU 17 35.244 12.657 -2.695
142 HB2 LEU 17 HB2 LEU 17 33.614 11.520 -1.016
143 HB3 LEU 17 HB1 LEU 17 32.330 12.022 -2.135
144 HG LEU 17 HG LEU 17 33.943 10.891 -3.972
145 HD11 LEU 17 HD11 LEU 17 34.576 9.202 -1.515
146 HD12 LEU 17 HD12 LEU 17 35.697 10.431 -2.142
147 HD13 LEU 17 HD13 LEU 17 35.239 9.045 -3.158
148 HD21 LEU 17 HD21 LEU 17 32.740 8.705 -3.560
149 HD22 LEU 17 HD22 LEU 17 31.668 10.126 -3.568
150 HD23 LEU 17 HD23 LEU 17 32.145 9.377 -2.024
151 H ASP 18 HN ASP 18 34.774 15.280 -3.455
152 HA ASP 18 HA ASP 18 33.990 16.542 -5.236
153 HB2 ASP 18 HB2 ASP 18 35.150 14.675 -6.452
154 HB3 ASP 18 HB1 ASP 18 33.582 13.839 -6.573
155 H HIS 19 HN HIS 19 32.087 16.217 -3.294
156 HA HIS 19 HA HIS 19 29.793 16.263 -2.927
157 HB2 HIS 19 HB2 HIS 19 29.792 17.109 -5.853
158 HB3 HIS 19 HB1 HIS 19 28.456 17.344 -4.701
159 HD1 HIS 19 HD1 HIS 19 28.763 19.102 -2.799
160 HD2 HIS 19 HD2 HIS 19 31.945 18.916 -5.541
161 HE1 HIS 19 HE1 HIS 19 30.248 21.140 -2.382
162 H LEU 20 HN LEU 20 30.523 13.718 -3.163
163 HA LEU 20 HA LEU 20 29.812 11.594 -3.788
164 HB2 LEU 20 HB2 LEU 20 27.258 13.234 -3.888
165 HB3 LEU 20 HB1 LEU 20 27.246 11.488 -4.228
166 HG LEU 20 HG LEU 20 28.182 10.994 -2.032
167 HD11 LEU 20 HD11 LEU 20 29.693 12.793 -1.618
168 HD12 LEU 20 HD12 LEU 20 28.421 12.987 -0.392
169 HD13 LEU 20 HD13 LEU 20 28.427 14.022 -1.840
170 HD21 LEU 20 HD21 LEU 20 25.701 11.412 -2.283
171 HD22 LEU 20 HD22 LEU 20 25.976 13.079 -1.726
172 HD23 LEU 20 HD23 LEU 20 26.316 11.710 -0.640
Start of MODEL 72
1 H1 TRP 1 HT1 TRP 1 41.167 3.880 14.665
2 H2 TRP 1 HT2 TRP 1 40.209 5.283 14.709
3 H3 TRP 1 HT3 TRP 1 41.486 5.085 15.814
4 HA TRP 1 HA TRP 1 42.525 6.423 14.389
5 HB2 TRP 1 HB2 TRP 1 42.760 3.701 13.046
6 HB3 TRP 1 HB1 TRP 1 43.855 5.078 12.784
7 HD1 TRP 1 HD1 TRP 1 43.084 2.281 15.184
8 HE1 TRP 1 HE1 TRP 1 44.784 2.277 17.153
9 HE3 TRP 1 HE3 TRP 1 45.362 6.779 14.292
10 HZ2 TRP 1 HZ2 TRP 1 46.844 4.011 18.174
11 HZ3 TRP 1 HZ3 TRP 1 47.192 7.584 15.777
12 HH2 TRP 1 HH2 TRP 1 47.934 6.206 17.714
13 H LEU 2 HN LEU 2 40.037 7.070 13.826
14 HA LEU 2 HA LEU 2 38.708 7.993 12.173
15 HB2 LEU 2 HB2 LEU 2 40.946 7.446 10.198
16 HB3 LEU 2 HB1 LEU 2 39.701 8.713 10.132
17 HG LEU 2 HG LEU 2 41.984 8.503 12.147
18 HD11 LEU 2 HD11 LEU 2 42.651 9.348 9.941
19 HD12 LEU 2 HD12 LEU 2 42.645 10.679 11.120
20 HD13 LEU 2 HD13 LEU 2 41.308 10.515 9.958
21 HD21 LEU 2 HD21 LEU 2 40.150 9.382 13.397
22 HD22 LEU 2 HD22 LEU 2 39.538 10.315 12.010
23 HD23 LEU 2 HD23 LEU 2 41.029 10.823 12.840
24 H ARG 3 HN ARG 3 39.816 4.811 12.059
25 HA ARG 3 HA ARG 3 38.878 2.892 11.201
26 HB2 ARG 3 HB2 ARG 3 36.728 4.156 11.868
27 HB3 ARG 3 HB1 ARG 3 36.559 4.541 10.141
28 HG2 ARG 3 HG2 ARG 3 36.562 2.151 9.570
29 HG3 ARG 3 HG1 ARG 3 36.828 1.721 11.277
30 HD2 ARG 3 HD2 ARG 3 34.429 1.521 10.623
31 HD3 ARG 3 HD1 ARG 3 34.676 2.739 11.896
32 HE ARG 3 HE ARG 3 34.775 3.945 9.262
33 HH11 ARG 3 HH11 ARG 3 33.042 3.543 12.134
34 HH12 ARG 3 HH12 ARG 3 31.535 4.117 11.500
35 HH21 ARG 3 HH21 ARG 3 32.679 4.308 8.232
36 HH22 ARG 3 HH22 ARG 3 31.330 4.549 9.290
37 H ARG 4 HN ARG 4 39.540 5.616 9.214
38 HA ARG 4 HA ARG 4 39.878 3.780 6.862
39 HB2 ARG 4 HB2 ARG 4 38.650 6.562 6.712
40 HB3 ARG 4 HB1 ARG 4 38.932 5.442 5.358
41 HG2 ARG 4 HG2 ARG 4 37.430 3.773 6.542
42 HG3 ARG 4 HG1 ARG 4 37.028 5.059 7.705
43 HD2 ARG 4 HD2 ARG 4 36.161 6.474 5.898
44 HD3 ARG 4 HD1 ARG 4 36.645 5.264 4.685
45 HE ARG 4 HE ARG 4 34.967 3.895 6.465
46 HH11 ARG 4 HH11 ARG 4 34.499 4.614 3.486
47 HH12 ARG 4 HH12 ARG 4 32.949 5.380 3.595
48 HH21 ARG 4 HH21 ARG 4 33.093 5.778 7.037
49 HH22 ARG 4 HH22 ARG 4 32.153 6.038 5.605
50 H ILE 5 HN ILE 5 41.169 5.973 9.022
51 HA ILE 5 HA ILE 5 43.171 7.132 9.064
52 HB ILE 5 HB ILE 5 43.943 5.653 6.515
53 HG12 ILE 5 HG12 ILE 5 44.047 4.704 9.414
54 HG13 ILE 5 HG11 ILE 5 43.015 4.033 8.130
55 HG21 ILE 5 HG21 ILE 5 45.646 6.461 8.905
56 HG22 ILE 5 HG22 ILE 5 45.389 7.538 7.511
57 HG23 ILE 5 HG23 ILE 5 46.189 5.966 7.285
58 HD11 ILE 5 HD1 ILE 5 46.036 3.890 8.400
59 HD12 ILE 5 HD2 ILE 5 45.236 3.628 6.830
60 HD13 ILE 5 HD3 ILE 5 44.874 2.558 8.205
61 H GLY 6 HN GLY 6 42.949 6.755 5.498
62 HA2 GLY 6 HA1 GLY 6 43.377 9.626 5.161
63 HA3 GLY 6 HA2 GLY 6 43.133 8.422 3.880
64 H LYS 7 HN LYS 7 41.175 9.568 6.666
65 HA LYS 7 HA LYS 7 38.673 9.266 5.415
66 HB2 LYS 7 HB2 LYS 7 39.185 9.813 7.862
67 HB3 LYS 7 HB1 LYS 7 39.361 11.504 7.353
68 HG2 LYS 7 HG2 LYS 7 37.094 11.469 7.957
69 HG3 LYS 7 HG1 LYS 7 36.978 11.116 6.220
70 HD2 LYS 7 HD2 LYS 7 36.786 8.713 6.680
71 HD3 LYS 7 HD1 LYS 7 37.055 8.993 8.417
72 HE2 LYS 7 HE2 LYS 7 34.985 10.233 8.610
73 HE3 LYS 7 HE1 LYS 7 34.754 10.221 6.845
74 HZ1 LYS 7 HZ1 LYS 7 34.034 8.250 8.751
75 HZ2 LYS 7 HZ2 LYS 7 35.106 7.580 7.616
76 HZ3 LYS 7 HZ3 LYS 7 33.667 8.320 7.097
77 H GLY 8 HN GLY 8 40.025 12.529 6.036
78 HA2 GLY 8 HA1 GLY 8 38.641 13.514 3.607
79 HA3 GLY 8 HA2 GLY 8 39.443 14.487 4.855
80 H VAL 9 HN VAL 9 39.627 13.338 1.707
81 HA VAL 9 HA VAL 9 42.463 12.961 1.441
82 HB VAL 9 HB VAL 9 40.466 13.915 -0.664
83 HG11 VAL 9 HG11 VAL 9 42.756 14.293 -1.401
84 HG12 VAL 9 HG12 VAL 9 42.157 12.826 -2.210
85 HG13 VAL 9 HG13 VAL 9 43.255 12.689 -0.816
86 HG21 VAL 9 HG21 VAL 9 41.465 11.104 -0.039
87 HG22 VAL 9 HG22 VAL 9 40.226 11.566 -1.232
88 HG23 VAL 9 HG23 VAL 9 39.897 11.748 0.508
89 H LYS 10 HN LYS 10 41.078 15.542 -0.514
90 HA LYS 10 HA LYS 10 42.150 17.743 1.007
91 HB2 LYS 10 HB2 LYS 10 44.287 16.600 0.263
92 HB3 LYS 10 HB1 LYS 10 43.806 16.941 -1.415
93 HG2 LYS 10 HG2 LYS 10 43.723 19.358 -0.914
94 HG3 LYS 10 HG1 LYS 10 44.175 19.031 0.777
95 HD2 LYS 10 HD2 LYS 10 46.275 17.910 -0.091
96 HD3 LYS 10 HD1 LYS 10 45.846 18.505 -1.713
97 HE2 LYS 10 HE2 LYS 10 47.421 20.054 -0.604
98 HE3 LYS 10 HE1 LYS 10 45.840 20.834 -0.853
99 HZ1 LYS 10 HZ1 LYS 10 46.869 21.104 1.416
100 HZ2 LYS 10 HZ2 LYS 10 46.570 19.452 1.673
101 HZ3 LYS 10 HZ3 LYS 10 45.277 20.519 1.398
102 H ILE 11 HN ILE 11 40.920 16.277 -1.902
103 HA ILE 11 HA ILE 11 39.762 18.934 -2.722
104 HB ILE 11 HB ILE 11 40.777 16.854 -4.699
105 HG12 ILE 11 HG12 ILE 11 42.168 19.356 -3.633
106 HG13 ILE 11 HG11 ILE 11 42.705 17.673 -3.419
107 HG21 ILE 11 HG21 ILE 11 38.981 18.600 -5.316
108 HG22 ILE 11 HG22 ILE 11 40.438 18.577 -6.335
109 HG23 ILE 11 HG23 ILE 11 40.246 19.831 -5.086
110 HD11 ILE 11 HD1 ILE 11 44.018 18.472 -5.229
111 HD12 ILE 11 HD2 ILE 11 42.645 19.332 -5.962
112 HD13 ILE 11 HD3 ILE 11 42.717 17.554 -6.022
113 H ILE 12 HN ILE 12 39.706 15.375 -3.066
114 HA ILE 12 HA ILE 12 36.859 15.465 -3.925
115 HB ILE 12 HB ILE 12 38.779 13.160 -3.421
116 HG12 ILE 12 HG12 ILE 12 37.817 14.032 -6.176
117 HG13 ILE 12 HG11 ILE 12 39.156 14.911 -5.404
118 HG21 ILE 12 HG21 ILE 12 36.679 12.111 -3.276
119 HG22 ILE 12 HG22 ILE 12 36.932 12.030 -5.031
120 HG23 ILE 12 HG23 ILE 12 35.889 13.295 -4.343
121 HD11 ILE 12 HD1 ILE 12 39.188 11.878 -5.620
122 HD12 ILE 12 HD2 ILE 12 40.547 12.990 -5.345
123 HD13 ILE 12 HD3 ILE 12 39.769 12.916 -6.942
124 H GLY 13 HN GLY 13 38.074 12.851 -1.901
125 HA2 GLY 13 HA1 GLY 13 35.906 12.978 -0.060
126 HA3 GLY 13 HA2 GLY 13 37.470 12.186 0.237
127 H GLY 14 HN GLY 14 38.396 15.008 -0.707
128 HA2 GLY 14 HA1 GLY 14 38.840 16.078 2.008
129 HA3 GLY 14 HA2 GLY 14 39.510 16.698 0.482
130 H ALA 15 HN ALA 15 37.310 17.129 -1.105
131 HA ALA 15 HA ALA 15 36.059 19.426 0.359
132 HB1 ALA 15 HB1 ALA 15 36.928 19.589 -2.034
133 HB2 ALA 15 HB2 ALA 15 35.255 20.135 -1.775
134 HB3 ALA 15 HB3 ALA 15 35.566 18.543 -2.506
135 H ALA 16 HN ALA 16 35.602 16.611 1.047
136 HA ALA 16 HA ALA 16 33.797 15.414 1.845
137 HB1 ALA 16 HB1 ALA 16 31.677 16.381 2.055
138 HB2 ALA 16 HB2 ALA 16 31.812 17.279 0.524
139 HB3 ALA 16 HB3 ALA 16 32.726 17.814 1.955
140 H LEU 17 HN LEU 17 35.129 14.600 -0.392
141 HA LEU 17 HA LEU 17 34.864 13.137 -2.176
142 HB2 LEU 17 HB2 LEU 17 31.898 13.002 -1.519
143 HB3 LEU 17 HB1 LEU 17 32.867 11.809 -2.400
144 HG LEU 17 HG LEU 17 33.635 12.526 0.455
145 HD11 LEU 17 HD11 LEU 17 31.221 12.010 0.548
146 HD12 LEU 17 HD12 LEU 17 32.180 10.696 1.272
147 HD13 LEU 17 HD13 LEU 17 31.501 10.507 -0.363
148 HD21 LEU 17 HD21 LEU 17 34.618 10.333 0.451
149 HD22 LEU 17 HD22 LEU 17 35.046 11.051 -1.119
150 HD23 LEU 17 HD23 LEU 17 33.733 9.858 -1.016
151 H ASP 18 HN ASP 18 34.622 15.997 -2.517
152 HA ASP 18 HA ASP 18 34.071 17.515 -4.172
153 HB2 ASP 18 HB2 ASP 18 35.143 15.797 -5.605
154 HB3 ASP 18 HB1 ASP 18 33.560 15.020 -5.838
155 H HIS 19 HN HIS 19 31.833 14.946 -5.252
156 HA HIS 19 HA HIS 19 29.510 16.524 -4.233
157 HB2 HIS 19 HB2 HIS 19 28.419 16.504 -6.438
158 HB3 HIS 19 HB1 HIS 19 29.951 17.409 -6.506
159 HD1 HIS 19 HD1 HIS 19 32.101 15.489 -6.989
160 HD2 HIS 19 HD2 HIS 19 28.304 14.958 -8.715
161 HE1 HIS 19 HE1 HIS 19 32.382 13.908 -8.977
162 H LEU 20 HN LEU 20 30.317 14.223 -3.101
163 HA LEU 20 HA LEU 20 29.647 12.064 -2.606
164 HB2 LEU 20 HB2 LEU 20 27.428 13.523 -2.625
165 HB3 LEU 20 HB1 LEU 20 27.030 12.551 -4.058
166 HG LEU 20 HG LEU 20 27.681 11.510 -1.262
167 HD11 LEU 20 HD11 LEU 20 25.149 11.330 -2.955
168 HD12 LEU 20 HD12 LEU 20 25.399 12.484 -1.623
169 HD13 LEU 20 HD13 LEU 20 25.358 10.736 -1.291
170 HD21 LEU 20 HD21 LEU 20 28.605 9.900 -2.769
171 HD22 LEU 20 HD22 LEU 20 27.267 10.094 -3.928
172 HD23 LEU 20 HD23 LEU 20 26.990 9.273 -2.373
Start of MODEL 73
1 H1 TRP 1 HT1 TRP 1 53.082 0.146 -0.260
2 H2 TRP 1 HT2 TRP 1 51.714 0.369 0.722
3 H3 TRP 1 HT3 TRP 1 53.208 1.038 1.177
4 HA TRP 1 HA TRP 1 52.952 2.135 -1.193
5 HB2 TRP 1 HB2 TRP 1 50.135 1.867 -0.071
6 HB3 TRP 1 HB1 TRP 1 50.616 2.844 -1.479
7 HD1 TRP 1 HD1 TRP 1 49.649 -0.619 -0.466
8 HE1 TRP 1 HE1 TRP 1 49.797 -2.251 -2.486
9 HE3 TRP 1 HE3 TRP 1 52.144 2.401 -3.763
10 HZ2 TRP 1 HZ2 TRP 1 50.862 -2.217 -5.160
11 HZ3 TRP 1 HZ3 TRP 1 52.717 1.579 -6.042
12 HH2 TRP 1 HH2 TRP 1 52.079 -0.724 -6.744
13 H LEU 2 HN LEU 2 52.005 4.473 -1.023
14 HA LEU 2 HA LEU 2 53.182 5.616 1.395
15 HB2 LEU 2 HB2 LEU 2 51.537 7.108 -0.675
16 HB3 LEU 2 HB1 LEU 2 52.859 7.722 0.345
17 HG LEU 2 HG LEU 2 53.119 5.680 -1.909
18 HD11 LEU 2 HD11 LEU 2 54.244 8.502 -1.670
19 HD12 LEU 2 HD12 LEU 2 52.738 8.111 -2.536
20 HD13 LEU 2 HD13 LEU 2 54.289 7.437 -3.096
21 HD21 LEU 2 HD21 LEU 2 55.103 6.809 0.111
22 HD22 LEU 2 HD22 LEU 2 55.627 6.121 -1.444
23 HD23 LEU 2 HD23 LEU 2 54.767 5.103 -0.268
24 H ARG 3 HN ARG 3 50.083 4.479 0.493
25 HA ARG 3 HA ARG 3 48.119 4.389 1.710
26 HB2 ARG 3 HB2 ARG 3 49.778 4.487 3.740
27 HB3 ARG 3 HB1 ARG 3 49.262 6.184 3.879
28 HG2 ARG 3 HG2 ARG 3 46.862 5.370 3.901
29 HG3 ARG 3 HG1 ARG 3 47.491 3.707 3.999
30 HD2 ARG 3 HD2 ARG 3 48.064 5.953 5.984
31 HD3 ARG 3 HD1 ARG 3 46.967 4.578 6.254
32 HE ARG 3 HE ARG 3 49.428 3.422 5.588
33 HH11 ARG 3 HH11 ARG 3 49.386 2.268 7.844
34 HH12 ARG 3 HH12 ARG 3 50.000 3.285 9.105
35 HH21 ARG 3 HH21 ARG 3 49.718 6.202 7.251
36 HH22 ARG 3 HH22 ARG 3 50.189 5.512 8.769
37 H ARG 4 HN ARG 4 49.763 7.369 1.011
38 HA ARG 4 HA ARG 4 47.261 8.973 1.251
39 HB2 ARG 4 HB2 ARG 4 50.027 9.825 0.307
40 HB3 ARG 4 HB1 ARG 4 48.684 10.877 0.806
41 HG2 ARG 4 HG2 ARG 4 50.162 8.899 2.596
42 HG3 ARG 4 HG1 ARG 4 50.343 10.667 2.622
43 HD2 ARG 4 HD2 ARG 4 47.734 10.676 3.005
44 HD3 ARG 4 HD1 ARG 4 47.982 8.982 3.500
45 HE ARG 4 HE ARG 4 48.967 9.797 5.479
46 HH11 ARG 4 HH11 ARG 4 51.209 11.158 5.379
47 HH12 ARG 4 HH12 ARG 4 50.867 12.855 5.349
48 HH21 ARG 4 HH21 ARG 4 47.553 12.440 4.414
49 HH22 ARG 4 HH22 ARG 4 48.797 13.581 4.802
50 H ILE 5 HN ILE 5 49.034 7.081 -0.984
51 HA ILE 5 HA ILE 5 48.873 6.809 -3.280
52 HB ILE 5 HB ILE 5 46.104 8.070 -3.083
53 HG12 ILE 5 HG12 ILE 5 46.969 5.238 -2.328
54 HG13 ILE 5 HG11 ILE 5 46.370 6.481 -1.205
55 HG21 ILE 5 HG21 ILE 5 47.035 5.666 -4.706
56 HG22 ILE 5 HG22 ILE 5 47.189 7.329 -5.318
57 HG23 ILE 5 HG23 ILE 5 45.582 6.666 -4.944
58 HD11 ILE 5 HD1 ILE 5 44.468 5.132 -1.666
59 HD12 ILE 5 HD2 ILE 5 44.850 5.033 -3.400
60 HD13 ILE 5 HD3 ILE 5 44.255 6.560 -2.704
61 H GLY 6 HN GLY 6 50.384 8.911 -2.779
62 HA2 GLY 6 HA1 GLY 6 51.087 10.982 -3.546
63 HA3 GLY 6 HA2 GLY 6 50.372 10.454 -5.082
64 H LYS 7 HN LYS 7 48.252 10.757 -2.344
65 HA LYS 7 HA LYS 7 47.617 13.557 -2.690
66 HB2 LYS 7 HB2 LYS 7 46.753 12.381 -4.870
67 HB3 LYS 7 HB1 LYS 7 45.468 11.737 -3.827
68 HG2 LYS 7 HG2 LYS 7 44.459 13.727 -4.553
69 HG3 LYS 7 HG1 LYS 7 45.232 14.286 -3.056
70 HD2 LYS 7 HD2 LYS 7 45.959 15.941 -4.547
71 HD3 LYS 7 HD1 LYS 7 47.306 14.789 -4.677
72 HE2 LYS 7 HE2 LYS 7 46.705 15.356 -6.928
73 HE3 LYS 7 HE1 LYS 7 46.023 13.736 -6.648
74 HZ1 LYS 7 HZ1 LYS 7 44.674 16.083 -7.360
75 HZ2 LYS 7 HZ2 LYS 7 44.161 15.658 -5.797
76 HZ3 LYS 7 HZ3 LYS 7 44.022 14.544 -7.073
77 H GLY 8 HN GLY 8 44.627 12.699 -2.376
78 HA2 GLY 8 HA1 GLY 8 44.042 11.127 -0.241
79 HA3 GLY 8 HA2 GLY 8 44.786 12.520 0.569
80 H VAL 9 HN VAL 9 42.495 12.379 1.508
81 HA VAL 9 HA VAL 9 40.364 13.456 -0.203
82 HB VAL 9 HB VAL 9 39.051 13.539 1.901
83 HG11 VAL 9 HG11 VAL 9 40.666 10.967 1.607
84 HG12 VAL 9 HG12 VAL 9 39.270 11.415 0.599
85 HG13 VAL 9 HG13 VAL 9 39.053 11.121 2.341
86 HG21 VAL 9 HG21 VAL 9 40.766 14.188 3.489
87 HG22 VAL 9 HG22 VAL 9 41.725 12.733 3.127
88 HG23 VAL 9 HG23 VAL 9 40.166 12.584 3.974
89 H LYS 10 HN LYS 10 42.872 15.019 0.081
90 HA LYS 10 HA LYS 10 42.210 17.312 1.774
91 HB2 LYS 10 HB2 LYS 10 44.542 16.709 1.379
92 HB3 LYS 10 HB1 LYS 10 44.322 16.862 -0.376
93 HG2 LYS 10 HG2 LYS 10 45.459 18.845 0.634
94 HG3 LYS 10 HG1 LYS 10 43.932 19.276 -0.162
95 HD2 LYS 10 HD2 LYS 10 42.795 19.572 1.907
96 HD3 LYS 10 HD1 LYS 10 44.013 18.645 2.814
97 HE2 LYS 10 HE2 LYS 10 44.480 21.350 1.481
98 HE3 LYS 10 HE1 LYS 10 44.227 21.088 3.224
99 HZ1 LYS 10 HZ1 LYS 10 46.426 20.839 3.314
100 HZ2 LYS 10 HZ2 LYS 10 46.584 20.678 1.629
101 HZ3 LYS 10 HZ3 LYS 10 46.199 19.326 2.582
102 H ILE 11 HN ILE 11 41.380 16.224 -1.380
103 HA ILE 11 HA ILE 11 40.116 18.889 -1.971
104 HB ILE 11 HB ILE 11 41.499 17.198 -4.085
105 HG12 ILE 11 HG12 ILE 11 42.553 19.616 -2.545
106 HG13 ILE 11 HG11 ILE 11 43.215 17.965 -2.507
107 HG21 ILE 11 HG21 ILE 11 40.748 20.154 -4.125
108 HG22 ILE 11 HG22 ILE 11 39.627 18.879 -4.658
109 HG23 ILE 11 HG23 ILE 11 41.174 19.112 -5.502
110 HD11 ILE 11 HD1 ILE 11 44.621 19.114 -4.036
111 HD12 ILE 11 HD2 ILE 11 43.254 19.970 -4.788
112 HD13 ILE 11 HD3 ILE 11 43.490 18.229 -5.085
113 H ILE 12 HN ILE 12 40.352 15.397 -2.555
114 HA ILE 12 HA ILE 12 37.863 15.265 -4.073
115 HB ILE 12 HB ILE 12 39.448 13.149 -2.582
116 HG12 ILE 12 HG12 ILE 12 39.452 13.831 -5.562
117 HG13 ILE 12 HG11 ILE 12 40.671 14.417 -4.409
118 HG21 ILE 12 HG21 ILE 12 37.222 12.959 -4.664
119 HG22 ILE 12 HG22 ILE 12 37.209 12.316 -3.007
120 HG23 ILE 12 HG23 ILE 12 38.264 11.587 -4.231
121 HD11 ILE 12 HD1 ILE 12 40.235 11.619 -5.473
122 HD12 ILE 12 HD2 ILE 12 40.900 11.801 -3.832
123 HD13 ILE 12 HD3 ILE 12 41.752 12.509 -5.222
124 H GLY 13 HN GLY 13 38.449 13.226 -1.232
125 HA2 GLY 13 HA1 GLY 13 35.766 13.542 -0.246
126 HA3 GLY 13 HA2 GLY 13 37.149 12.881 0.655
127 H GLY 14 HN GLY 14 38.315 15.542 -0.599
128 HA2 GLY 14 HA1 GLY 14 38.034 17.120 1.889
129 HA3 GLY 14 HA2 GLY 14 39.071 17.486 0.491
130 H ALA 15 HN ALA 15 37.218 17.365 -1.604
131 HA ALA 15 HA ALA 15 35.714 19.897 -1.055
132 HB1 ALA 15 HB1 ALA 15 37.012 19.666 -3.169
133 HB2 ALA 15 HB2 ALA 15 35.274 19.891 -3.464
134 HB3 ALA 15 HB3 ALA 15 35.997 18.274 -3.618
135 H ALA 16 HN ALA 16 35.125 17.316 0.200
136 HA ALA 16 HA ALA 16 33.196 16.246 0.879
137 HB1 ALA 16 HB1 ALA 16 31.076 17.119 0.407
138 HB2 ALA 16 HB2 ALA 16 31.530 17.628 -1.237
139 HB3 ALA 16 HB3 ALA 16 32.118 18.542 0.173
140 H LEU 17 HN LEU 17 35.051 15.190 -1.009
141 HA LEU 17 HA LEU 17 35.171 13.409 -2.507
142 HB2 LEU 17 HB2 LEU 17 33.456 12.526 -0.750
143 HB3 LEU 17 HB1 LEU 17 32.231 12.857 -1.993
144 HG LEU 17 HG LEU 17 33.924 11.472 -3.562
145 HD11 LEU 17 HD11 LEU 17 35.167 9.763 -2.420
146 HD12 LEU 17 HD12 LEU 17 34.434 10.174 -0.851
147 HD13 LEU 17 HD13 LEU 17 35.591 11.289 -1.612
148 HD21 LEU 17 HD21 LEU 17 32.082 10.188 -1.492
149 HD22 LEU 17 HD22 LEU 17 32.675 9.394 -2.970
150 HD23 LEU 17 HD23 LEU 17 31.600 10.808 -3.088
151 H ASP 18 HN ASP 18 34.669 15.954 -3.568
152 HA ASP 18 HA ASP 18 34.077 16.931 -5.577
153 HB2 ASP 18 HB2 ASP 18 33.361 14.166 -6.607
154 HB3 ASP 18 HB1 ASP 18 33.959 15.572 -7.523
155 H HIS 19 HN HIS 19 31.938 15.460 -3.551
156 HA HIS 19 HA HIS 19 29.708 16.985 -4.572
157 HB2 HIS 19 HB2 HIS 19 29.783 15.001 -6.186
158 HB3 HIS 19 HB1 HIS 19 29.367 13.970 -4.798
159 HD1 HIS 19 HD1 HIS 19 27.836 15.879 -7.461
160 HD2 HIS 19 HD2 HIS 19 26.872 15.165 -3.433
161 HE1 HIS 19 HE1 HIS 19 25.344 16.366 -7.178
162 H LEU 20 HN LEU 20 30.077 13.792 -2.948
163 HA LEU 20 HA LEU 20 29.590 14.934 -0.324
164 HB2 LEU 20 HB2 LEU 20 27.304 15.141 -1.062
165 HB3 LEU 20 HB1 LEU 20 27.316 13.507 -1.758
166 HG LEU 20 HG LEU 20 27.426 12.488 0.440
167 HD11 LEU 20 HD11 LEU 20 28.911 13.890 1.673
168 HD12 LEU 20 HD12 LEU 20 27.345 14.072 2.494
169 HD13 LEU 20 HD13 LEU 20 27.920 15.340 1.383
170 HD21 LEU 20 HD21 LEU 20 25.454 14.818 0.446
171 HD22 LEU 20 HD22 LEU 20 25.329 13.354 1.451
172 HD23 LEU 20 HD23 LEU 20 25.192 13.233 -0.320
Start of MODEL 74
1 H1 TRP 1 HT1 TRP 1 34.131 3.493 5.972
2 H2 TRP 1 HT2 TRP 1 35.484 4.342 6.553
3 H3 TRP 1 HT3 TRP 1 35.435 2.645 6.646
4 HA TRP 1 HA TRP 1 35.333 2.566 4.206
5 HB2 TRP 1 HB2 TRP 1 36.118 5.493 4.474
6 HB3 TRP 1 HB1 TRP 1 35.924 4.568 2.966
7 HD1 TRP 1 HD1 TRP 1 33.435 3.849 2.278
8 HE1 TRP 1 HE1 TRP 1 31.108 4.860 2.852
9 HE3 TRP 1 HE3 TRP 1 34.769 6.707 6.312
10 HZ2 TRP 1 HZ2 TRP 1 30.010 6.665 4.809
11 HZ3 TRP 1 HZ3 TRP 1 33.066 8.066 7.516
12 HH2 TRP 1 HH2 TRP 1 30.690 8.048 6.770
13 H LEU 2 HN LEU 2 37.487 3.218 2.872
14 HA LEU 2 HA LEU 2 39.626 1.940 4.330
15 HB2 LEU 2 HB2 LEU 2 39.919 3.603 1.806
16 HB3 LEU 2 HB1 LEU 2 40.911 2.224 2.336
17 HG LEU 2 HG LEU 2 37.984 2.136 1.483
18 HD11 LEU 2 HD11 LEU 2 40.504 0.926 0.262
19 HD12 LEU 2 HD12 LEU 2 39.647 2.359 -0.356
20 HD13 LEU 2 HD13 LEU 2 38.850 0.767 -0.375
21 HD21 LEU 2 HD21 LEU 2 38.179 0.485 3.192
22 HD22 LEU 2 HD22 LEU 2 39.834 0.046 2.703
23 HD23 LEU 2 HD23 LEU 2 38.449 -0.418 1.686
24 H ARG 3 HN ARG 3 38.388 5.030 4.509
25 HA ARG 3 HA ARG 3 39.117 6.899 5.652
26 HB2 ARG 3 HB2 ARG 3 40.320 5.072 7.087
27 HB3 ARG 3 HB1 ARG 3 41.793 5.584 6.234
28 HG2 ARG 3 HG2 ARG 3 41.336 7.947 6.943
29 HG3 ARG 3 HG1 ARG 3 39.944 7.362 7.884
30 HD2 ARG 3 HD2 ARG 3 42.843 6.488 8.263
31 HD3 ARG 3 HD1 ARG 3 41.944 7.601 9.323
32 HE ARG 3 HE ARG 3 40.457 5.175 9.113
33 HH11 ARG 3 HH11 ARG 3 41.138 3.280 10.281
34 HH12 ARG 3 HH12 ARG 3 42.245 3.505 11.594
35 HH21 ARG 3 HH21 ARG 3 42.879 6.829 10.836
36 HH22 ARG 3 HH22 ARG 3 43.231 5.515 11.908
37 H ARG 4 HN ARG 4 42.187 5.579 4.302
38 HA ARG 4 HA ARG 4 43.277 8.005 3.473
39 HB2 ARG 4 HB2 ARG 4 44.499 5.877 3.380
40 HB3 ARG 4 HB1 ARG 4 43.435 5.298 2.083
41 HG2 ARG 4 HG2 ARG 4 45.625 6.131 1.217
42 HG3 ARG 4 HG1 ARG 4 44.253 7.053 0.568
43 HD2 ARG 4 HD2 ARG 4 46.359 8.352 1.472
44 HD3 ARG 4 HD1 ARG 4 44.737 8.949 1.892
45 HE ARG 4 HE ARG 4 45.802 7.058 3.855
46 HH11 ARG 4 HH11 ARG 4 45.686 10.318 2.735
47 HH12 ARG 4 HH12 ARG 4 46.085 11.000 4.276
48 HH21 ARG 4 HH21 ARG 4 46.337 7.932 5.870
49 HH22 ARG 4 HH22 ARG 4 46.452 9.651 6.050
50 H ILE 5 HN ILE 5 40.541 6.318 2.178
51 HA ILE 5 HA ILE 5 40.169 8.488 0.167
52 HB ILE 5 HB ILE 5 39.849 5.565 -0.645
53 HG12 ILE 5 HG12 ILE 5 42.200 7.465 -1.088
54 HG13 ILE 5 HG11 ILE 5 42.226 5.923 -0.201
55 HG21 ILE 5 HG21 ILE 5 40.157 8.060 -2.366
56 HG22 ILE 5 HG22 ILE 5 38.571 7.482 -1.803
57 HG23 ILE 5 HG23 ILE 5 39.570 6.453 -2.855
58 HD11 ILE 5 HD1 ILE 5 41.908 6.380 -3.186
59 HD12 ILE 5 HD2 ILE 5 41.410 4.848 -2.426
60 HD13 ILE 5 HD3 ILE 5 43.107 5.376 -2.338
61 H GLY 6 HN GLY 6 38.752 8.693 2.279
62 HA2 GLY 6 HA1 GLY 6 36.056 8.187 1.446
63 HA3 GLY 6 HA2 GLY 6 36.522 7.008 2.687
64 H LYS 7 HN LYS 7 38.230 8.595 4.248
65 HA LYS 7 HA LYS 7 36.257 10.000 5.838
66 HB2 LYS 7 HB2 LYS 7 38.284 8.838 6.756
67 HB3 LYS 7 HB1 LYS 7 39.291 10.117 6.037
68 HG2 LYS 7 HG2 LYS 7 38.138 11.826 7.368
69 HG3 LYS 7 HG1 LYS 7 37.036 10.596 8.035
70 HD2 LYS 7 HD2 LYS 7 38.908 9.442 9.112
71 HD3 LYS 7 HD1 LYS 7 40.068 10.568 8.366
72 HE2 LYS 7 HE2 LYS 7 37.821 11.437 10.232
73 HE3 LYS 7 HE1 LYS 7 39.489 11.124 10.766
74 HZ1 LYS 7 HZ1 LYS 7 39.830 12.752 8.632
75 HZ2 LYS 7 HZ2 LYS 7 39.816 13.260 10.253
76 HZ3 LYS 7 HZ3 LYS 7 38.406 13.372 9.313
77 H GLY 8 HN GLY 8 39.248 11.167 4.214
78 HA2 GLY 8 HA1 GLY 8 38.055 13.368 2.913
79 HA3 GLY 8 HA2 GLY 8 38.555 13.935 4.518
80 H VAL 9 HN VAL 9 39.516 13.201 1.314
81 HA VAL 9 HA VAL 9 42.350 12.832 1.848
82 HB VAL 9 HB VAL 9 40.926 13.697 -0.710
83 HG11 VAL 9 HG11 VAL 9 43.766 12.772 -0.107
84 HG12 VAL 9 HG12 VAL 9 43.257 14.297 -0.871
85 HG13 VAL 9 HG13 VAL 9 43.068 12.759 -1.745
86 HG21 VAL 9 HG21 VAL 9 41.133 11.326 -1.332
87 HG22 VAL 9 HG22 VAL 9 40.228 11.473 0.193
88 HG23 VAL 9 HG23 VAL 9 41.935 10.970 0.216
89 H LYS 10 HN LYS 10 41.107 15.426 -0.253
90 HA LYS 10 HA LYS 10 41.903 17.587 1.486
91 HB2 LYS 10 HB2 LYS 10 44.165 16.656 0.930
92 HB3 LYS 10 HB1 LYS 10 43.828 16.973 -0.789
93 HG2 LYS 10 HG2 LYS 10 43.574 19.364 -0.345
94 HG3 LYS 10 HG1 LYS 10 43.766 19.091 1.404
95 HD2 LYS 10 HD2 LYS 10 46.055 18.209 1.011
96 HD3 LYS 10 HD1 LYS 10 45.865 18.512 -0.734
97 HE2 LYS 10 HE2 LYS 10 45.738 20.622 1.466
98 HE3 LYS 10 HE1 LYS 10 47.095 20.366 0.345
99 HZ1 LYS 10 HZ1 LYS 10 44.312 21.080 -0.441
100 HZ2 LYS 10 HZ2 LYS 10 45.620 20.856 -1.501
101 HZ3 LYS 10 HZ3 LYS 10 45.629 22.149 -0.399
102 H ILE 11 HN ILE 11 41.206 16.289 -1.708
103 HA ILE 11 HA ILE 11 39.858 18.891 -2.412
104 HB ILE 11 HB ILE 11 41.304 17.086 -4.394
105 HG12 ILE 11 HG12 ILE 11 42.824 18.361 -2.703
106 HG13 ILE 11 HG11 ILE 11 43.161 18.560 -4.430
107 HG21 ILE 11 HG21 ILE 11 39.938 19.795 -4.596
108 HG22 ILE 11 HG22 ILE 11 39.517 18.286 -5.441
109 HG23 ILE 11 HG23 ILE 11 41.015 19.151 -5.857
110 HD11 ILE 11 HD1 ILE 11 43.188 20.707 -3.055
111 HD12 ILE 11 HD2 ILE 11 41.435 20.515 -2.849
112 HD13 ILE 11 HD3 ILE 11 42.120 20.734 -4.475
113 H ILE 12 HN ILE 12 40.220 15.426 -3.268
114 HA ILE 12 HA ILE 12 37.533 15.322 -4.419
115 HB ILE 12 HB ILE 12 39.404 13.109 -3.513
116 HG12 ILE 12 HG12 ILE 12 40.556 14.479 -5.142
117 HG13 ILE 12 HG11 ILE 12 40.055 12.983 -5.953
118 HG21 ILE 12 HG21 ILE 12 36.791 13.136 -5.050
119 HG22 ILE 12 HG22 ILE 12 37.380 11.979 -3.838
120 HG23 ILE 12 HG23 ILE 12 38.015 11.922 -5.497
121 HD11 ILE 12 HD1 ILE 12 38.925 15.783 -6.248
122 HD12 ILE 12 HD2 ILE 12 37.925 14.368 -6.652
123 HD13 ILE 12 HD3 ILE 12 39.453 14.651 -7.511
124 H GLY 13 HN GLY 13 38.434 12.748 -2.199
125 HA2 GLY 13 HA1 GLY 13 35.970 12.723 -0.821
126 HA3 GLY 13 HA2 GLY 13 37.501 12.084 -0.182
127 H GLY 14 HN GLY 14 38.427 14.921 -0.925
128 HA2 GLY 14 HA1 GLY 14 38.211 16.041 1.777
129 HA3 GLY 14 HA2 GLY 14 39.093 16.730 0.396
130 H ALA 15 HN ALA 15 37.176 16.968 -1.575
131 HA ALA 15 HA ALA 15 35.499 19.147 -0.393
132 HB1 ALA 15 HB1 ALA 15 36.666 19.449 -2.594
133 HB2 ALA 15 HB2 ALA 15 34.905 19.672 -2.682
134 HB3 ALA 15 HB3 ALA 15 35.637 18.162 -3.269
135 H ALA 16 HN ALA 16 35.167 16.327 0.319
136 HA ALA 16 HA ALA 16 33.349 15.019 0.883
137 HB1 ALA 16 HB1 ALA 16 31.154 15.790 0.664
138 HB2 ALA 16 HB2 ALA 16 31.475 16.605 -0.884
139 HB3 ALA 16 HB3 ALA 16 32.075 17.311 0.634
140 H LEU 17 HN LEU 17 35.169 14.464 -1.262
141 HA LEU 17 HA LEU 17 35.312 13.046 -3.106
142 HB2 LEU 17 HB2 LEU 17 33.769 11.773 -1.279
143 HB3 LEU 17 HB1 LEU 17 32.573 11.887 -2.585
144 HG LEU 17 HG LEU 17 35.380 10.709 -2.888
145 HD11 LEU 17 HD11 LEU 17 34.022 9.292 -1.438
146 HD12 LEU 17 HD12 LEU 17 34.125 8.536 -3.047
147 HD13 LEU 17 HD13 LEU 17 32.646 9.401 -2.561
148 HD21 LEU 17 HD21 LEU 17 32.944 10.798 -4.728
149 HD22 LEU 17 HD22 LEU 17 34.404 9.829 -5.034
150 HD23 LEU 17 HD23 LEU 17 34.508 11.604 -4.998
151 H ASP 18 HN ASP 18 34.479 15.594 -3.719
152 HA ASP 18 HA ASP 18 33.413 16.818 -5.376
153 HB2 ASP 18 HB2 ASP 18 33.114 14.139 -6.786
154 HB3 ASP 18 HB1 ASP 18 33.161 15.755 -7.531
155 H HIS 19 HN HIS 19 31.812 15.736 -3.193
156 HA HIS 19 HA HIS 19 29.579 15.576 -2.600
157 HB2 HIS 19 HB2 HIS 19 28.948 16.728 -5.339
158 HB3 HIS 19 HB1 HIS 19 27.989 16.859 -3.846
159 HD1 HIS 19 HD1 HIS 19 30.300 18.753 -5.843
160 HD2 HIS 19 HD2 HIS 19 29.644 18.290 -1.715
161 HE1 HIS 19 HE1 HIS 19 31.435 20.716 -4.666
162 H LEU 20 HN LEU 20 30.693 13.236 -3.546
163 HA LEU 20 HA LEU 20 28.303 11.798 -4.324
164 HB2 LEU 20 HB2 LEU 20 29.317 12.917 -6.511
165 HB3 LEU 20 HB1 LEU 20 30.488 11.586 -6.416
166 HG LEU 20 HG LEU 20 27.449 11.343 -6.572
167 HD11 LEU 20 HD11 LEU 20 29.693 10.514 -8.467
168 HD12 LEU 20 HD12 LEU 20 28.583 11.885 -8.704
169 HD13 LEU 20 HD13 LEU 20 27.958 10.218 -8.724
170 HD21 LEU 20 HD21 LEU 20 28.155 9.550 -5.154
171 HD22 LEU 20 HD22 LEU 20 29.642 9.281 -6.097
172 HD23 LEU 20 HD23 LEU 20 28.060 8.834 -6.778
Start of MODEL 75
1 H1 TRP 1 HT1 TRP 1 40.638 -0.892 1.217
2 H2 TRP 1 HT2 TRP 1 40.138 0.506 0.393
3 H3 TRP 1 HT3 TRP 1 38.988 -0.527 1.098
4 HA TRP 1 HA TRP 1 40.641 0.096 3.150
5 HB2 TRP 1 HB2 TRP 1 39.982 2.603 1.553
6 HB3 TRP 1 HB1 TRP 1 40.822 2.518 3.121
7 HD1 TRP 1 HD1 TRP 1 42.995 0.510 2.841
8 HE1 TRP 1 HE1 TRP 1 44.924 0.662 1.102
9 HE3 TRP 1 HE3 TRP 1 40.764 3.609 -0.567
10 HZ2 TRP 1 HZ2 TRP 1 45.399 1.965 -1.422
11 HZ3 TRP 1 HZ3 TRP 1 41.973 4.293 -2.635
12 HH2 TRP 1 HH2 TRP 1 44.286 3.476 -3.064
13 H LEU 2 HN LEU 2 39.443 0.984 4.900
14 HA LEU 2 HA LEU 2 36.590 0.458 4.677
15 HB2 LEU 2 HB2 LEU 2 37.999 1.838 6.981
16 HB3 LEU 2 HB1 LEU 2 36.508 0.867 7.022
17 HG LEU 2 HG LEU 2 39.326 -0.140 6.434
18 HD11 LEU 2 HD11 LEU 2 37.380 -0.809 8.685
19 HD12 LEU 2 HD12 LEU 2 38.721 0.351 8.832
20 HD13 LEU 2 HD13 LEU 2 39.061 -1.369 8.524
21 HD21 LEU 2 HD21 LEU 2 36.593 -1.475 6.252
22 HD22 LEU 2 HD22 LEU 2 38.077 -2.421 6.526
23 HD23 LEU 2 HD23 LEU 2 37.900 -1.457 5.044
24 H ARG 3 HN ARG 3 38.486 3.077 3.834
25 HA ARG 3 HA ARG 3 37.902 5.187 3.100
26 HB2 ARG 3 HB2 ARG 3 35.654 3.975 2.503
27 HB3 ARG 3 HB1 ARG 3 35.017 4.778 3.953
28 HG2 ARG 3 HG2 ARG 3 34.516 6.387 2.330
29 HG3 ARG 3 HG1 ARG 3 36.108 6.960 2.871
30 HD2 ARG 3 HD2 ARG 3 35.941 6.924 0.393
31 HD3 ARG 3 HD1 ARG 3 37.182 5.788 0.964
32 HE ARG 3 HE ARG 3 34.857 4.256 0.774
33 HH11 ARG 3 HH11 ARG 3 34.475 3.024 -1.088
34 HH12 ARG 3 HH12 ARG 3 35.047 3.597 -2.618
35 HH21 ARG 3 HH21 ARG 3 36.562 6.421 -1.295
36 HH22 ARG 3 HH22 ARG 3 36.228 5.521 -2.736
37 H ARG 4 HN ARG 4 36.544 4.086 6.185
38 HA ARG 4 HA ARG 4 36.352 6.745 7.324
39 HB2 ARG 4 HB2 ARG 4 36.617 4.056 8.731
40 HB3 ARG 4 HB1 ARG 4 36.021 5.575 9.442
41 HG2 ARG 4 HG2 ARG 4 34.172 5.597 7.750
42 HG3 ARG 4 HG1 ARG 4 34.736 4.016 7.158
43 HD2 ARG 4 HD2 ARG 4 33.747 4.658 9.971
44 HD3 ARG 4 HD1 ARG 4 32.912 3.666 8.751
45 HE ARG 4 HE ARG 4 35.517 2.568 9.221
46 HH11 ARG 4 HH11 ARG 4 32.702 1.261 9.293
47 HH12 ARG 4 HH12 ARG 4 32.698 0.639 10.910
48 HH21 ARG 4 HH21 ARG 4 35.415 2.534 11.932
49 HH22 ARG 4 HH22 ARG 4 34.232 1.360 12.403
50 H ILE 5 HN ILE 5 38.834 4.250 7.043
51 HA ILE 5 HA ILE 5 40.631 5.528 8.977
52 HB ILE 5 HB ILE 5 42.345 3.952 8.018
53 HG12 ILE 5 HG12 ILE 5 40.004 3.039 6.278
54 HG13 ILE 5 HG11 ILE 5 41.417 3.940 5.686
55 HG21 ILE 5 HG21 ILE 5 39.715 2.519 8.583
56 HG22 ILE 5 HG22 ILE 5 40.645 3.349 9.853
57 HG23 ILE 5 HG23 ILE 5 41.365 1.981 8.977
58 HD11 ILE 5 HD1 ILE 5 41.949 1.675 5.227
59 HD12 ILE 5 HD2 ILE 5 41.307 1.113 6.788
60 HD13 ILE 5 HD3 ILE 5 42.836 2.024 6.729
61 H GLY 6 HN GLY 6 39.995 5.728 5.524
62 HA2 GLY 6 HA1 GLY 6 42.474 7.105 4.879
63 HA3 GLY 6 HA2 GLY 6 41.032 6.966 3.852
64 H LYS 7 HN LYS 7 39.261 8.063 5.959
65 HA LYS 7 HA LYS 7 38.373 10.159 6.417
66 HB2 LYS 7 HB2 LYS 7 41.294 10.882 6.876
67 HB3 LYS 7 HB1 LYS 7 39.875 11.746 7.517
68 HG2 LYS 7 HG2 LYS 7 39.199 9.494 8.599
69 HG3 LYS 7 HG1 LYS 7 40.849 8.947 8.213
70 HD2 LYS 7 HD2 LYS 7 40.091 11.353 9.929
71 HD3 LYS 7 HD1 LYS 7 40.792 9.822 10.503
72 HE2 LYS 7 HE2 LYS 7 42.758 10.326 8.885
73 HE3 LYS 7 HE1 LYS 7 42.098 11.978 8.807
74 HZ1 LYS 7 HZ1 LYS 7 42.387 12.250 11.116
75 HZ2 LYS 7 HZ2 LYS 7 43.835 11.559 10.558
76 HZ3 LYS 7 HZ3 LYS 7 42.691 10.602 11.371
77 H GLY 8 HN GLY 8 38.680 12.645 5.948
78 HA2 GLY 8 HA1 GLY 8 38.397 13.007 3.174
79 HA3 GLY 8 HA2 GLY 8 38.756 14.299 4.335
80 H VAL 9 HN VAL 9 39.681 13.511 1.491
81 HA VAL 9 HA VAL 9 42.547 13.026 1.818
82 HB VAL 9 HB VAL 9 40.960 13.970 -0.614
83 HG11 VAL 9 HG11 VAL 9 43.005 13.032 -1.820
84 HG12 VAL 9 HG12 VAL 9 43.817 12.982 -0.237
85 HG13 VAL 9 HG13 VAL 9 43.289 14.539 -0.917
86 HG21 VAL 9 HG21 VAL 9 40.238 11.763 0.189
87 HG22 VAL 9 HG22 VAL 9 41.932 11.220 0.280
88 HG23 VAL 9 HG23 VAL 9 41.195 11.577 -1.300
89 H LYS 10 HN LYS 10 41.300 15.664 -0.203
90 HA LYS 10 HA LYS 10 42.143 17.799 1.539
91 HB2 LYS 10 HB2 LYS 10 44.390 16.900 1.029
92 HB3 LYS 10 HB1 LYS 10 44.068 17.078 -0.707
93 HG2 LYS 10 HG2 LYS 10 43.845 19.502 -0.469
94 HG3 LYS 10 HG1 LYS 10 43.998 19.372 1.299
95 HD2 LYS 10 HD2 LYS 10 46.281 18.322 0.928
96 HD3 LYS 10 HD1 LYS 10 46.118 18.741 -0.793
97 HE2 LYS 10 HE2 LYS 10 45.788 21.136 -0.146
98 HE3 LYS 10 HE1 LYS 10 46.063 20.687 1.554
99 HZ1 LYS 10 HZ1 LYS 10 47.962 21.142 -0.511
100 HZ2 LYS 10 HZ2 LYS 10 48.150 19.577 0.125
101 HZ3 LYS 10 HZ3 LYS 10 48.217 20.929 1.152
102 H ILE 11 HN ILE 11 41.267 16.503 -1.593
103 HA ILE 11 HA ILE 11 40.030 19.164 -2.283
104 HB ILE 11 HB ILE 11 41.201 17.301 -4.394
105 HG12 ILE 11 HG12 ILE 11 42.962 19.392 -4.431
106 HG13 ILE 11 HG11 ILE 11 42.585 19.394 -2.694
107 HG21 ILE 11 HG21 ILE 11 40.999 19.321 -5.799
108 HG22 ILE 11 HG22 ILE 11 40.407 20.248 -4.400
109 HG23 ILE 11 HG23 ILE 11 39.435 18.910 -5.059
110 HD11 ILE 11 HD1 ILE 11 43.822 17.186 -4.372
111 HD12 ILE 11 HD2 ILE 11 43.048 16.822 -2.813
112 HD13 ILE 11 HD3 ILE 11 44.441 17.930 -2.880
113 H ILE 12 HN ILE 12 40.164 15.656 -3.003
114 HA ILE 12 HA ILE 12 37.401 15.691 -4.040
115 HB ILE 12 HB ILE 12 39.308 13.412 -3.408
116 HG12 ILE 12 HG12 ILE 12 38.632 14.625 -6.133
117 HG13 ILE 12 HG11 ILE 12 40.041 15.127 -5.174
118 HG21 ILE 12 HG21 ILE 12 37.739 12.253 -5.192
119 HG22 ILE 12 HG22 ILE 12 36.590 13.542 -4.773
120 HG23 ILE 12 HG23 ILE 12 37.160 12.412 -3.524
121 HD11 ILE 12 HD1 ILE 12 41.029 13.492 -6.517
122 HD12 ILE 12 HD2 ILE 12 39.548 12.520 -6.624
123 HD13 ILE 12 HD3 ILE 12 40.534 12.479 -5.144
124 H GLY 13 HN GLY 13 38.494 13.056 -1.962
125 HA2 GLY 13 HA1 GLY 13 36.128 13.047 -0.373
126 HA3 GLY 13 HA2 GLY 13 37.680 12.301 0.075
127 H GLY 14 HN GLY 14 38.609 15.162 -0.691
128 HA2 GLY 14 HA1 GLY 14 38.757 16.173 2.069
129 HA3 GLY 14 HA2 GLY 14 39.519 16.876 0.623
130 H ALA 15 HN ALA 15 37.417 17.248 -1.124
131 HA ALA 15 HA ALA 15 35.946 19.438 0.302
132 HB1 ALA 15 HB1 ALA 15 35.758 18.592 -2.614
133 HB2 ALA 15 HB2 ALA 15 36.947 19.768 -1.995
134 HB3 ALA 15 HB3 ALA 15 35.206 20.118 -1.888
135 H ALA 16 HN ALA 16 35.571 16.633 0.956
136 HA ALA 16 HA ALA 16 33.789 15.302 1.562
137 HB1 ALA 16 HB1 ALA 16 31.607 16.158 1.632
138 HB2 ALA 16 HB2 ALA 16 31.827 17.134 0.161
139 HB3 ALA 16 HB3 ALA 16 32.598 17.633 1.684
140 H LEU 17 HN LEU 17 35.329 14.739 -0.688
141 HA LEU 17 HA LEU 17 35.238 13.338 -2.538
142 HB2 LEU 17 HB2 LEU 17 33.443 12.208 -0.981
143 HB3 LEU 17 HB1 LEU 17 32.267 12.896 -2.122
144 HG LEU 17 HG LEU 17 33.870 11.787 -3.964
145 HD11 LEU 17 HD11 LEU 17 35.608 11.035 -2.376
146 HD12 LEU 17 HD12 LEU 17 34.824 9.637 -3.143
147 HD13 LEU 17 HD13 LEU 17 34.397 10.094 -1.477
148 HD21 LEU 17 HD21 LEU 17 31.545 11.136 -3.707
149 HD22 LEU 17 HD22 LEU 17 31.905 10.265 -2.196
150 HD23 LEU 17 HD23 LEU 17 32.523 9.651 -3.748
151 H ASP 18 HN ASP 18 34.400 16.260 -2.538
152 HA ASP 18 HA ASP 18 33.684 17.815 -4.095
153 HB2 ASP 18 HB2 ASP 18 35.359 16.669 -5.499
154 HB3 ASP 18 HB1 ASP 18 34.119 15.514 -6.041
155 H HIS 19 HN HIS 19 32.379 14.998 -5.856
156 HA HIS 19 HA HIS 19 29.916 16.150 -6.493
157 HB2 HIS 19 HB2 HIS 19 30.822 13.974 -7.366
158 HB3 HIS 19 HB1 HIS 19 30.347 13.212 -5.829
159 HD1 HIS 19 HD1 HIS 19 28.265 11.902 -6.268
160 HD2 HIS 19 HD2 HIS 19 28.162 15.699 -8.071
161 HE1 HIS 19 HE1 HIS 19 25.969 12.166 -7.358
162 H LEU 20 HN LEU 20 30.951 14.695 -3.455
163 HA LEU 20 HA LEU 20 29.869 14.501 -1.417
164 HB2 LEU 20 HB2 LEU 20 29.670 17.056 -2.056
165 HB3 LEU 20 HB1 LEU 20 27.946 16.689 -2.270
166 HG LEU 20 HG LEU 20 29.569 16.149 0.262
167 HD11 LEU 20 HD11 LEU 20 28.287 18.014 1.219
168 HD12 LEU 20 HD12 LEU 20 27.426 18.241 -0.323
169 HD13 LEU 20 HD13 LEU 20 29.174 18.567 -0.222
170 HD21 LEU 20 HD21 LEU 20 27.817 14.543 0.240
171 HD22 LEU 20 HD22 LEU 20 26.670 15.665 -0.531
172 HD23 LEU 20 HD23 LEU 20 27.128 15.889 1.174
Start of MODEL 76
1 H1 TRP 1 HT1 TRP 1 47.586 8.906 14.970
2 H2 TRP 1 HT2 TRP 1 47.824 9.157 13.306
3 H3 TRP 1 HT3 TRP 1 47.262 7.656 13.873
4 HA TRP 1 HA TRP 1 45.316 8.924 14.810
5 HB2 TRP 1 HB2 TRP 1 46.271 10.902 12.705
6 HB3 TRP 1 HB1 TRP 1 44.809 11.027 13.713
7 HD1 TRP 1 HD1 TRP 1 48.646 11.125 13.972
8 HE1 TRP 1 HE1 TRP 1 49.331 12.374 16.148
9 HE3 TRP 1 HE3 TRP 1 44.004 11.748 16.039
10 HZ2 TRP 1 HZ2 TRP 1 48.012 13.481 18.456
11 HZ3 TRP 1 HZ3 TRP 1 43.741 12.904 18.229
12 HH2 TRP 1 HH2 TRP 1 45.740 13.770 19.438
13 H LEU 2 HN LEU 2 45.468 6.655 13.602
14 HA LEU 2 HA LEU 2 44.441 5.297 12.033
15 HB2 LEU 2 HB2 LEU 2 42.952 7.746 11.038
16 HB3 LEU 2 HB1 LEU 2 42.447 6.044 10.962
17 HG LEU 2 HG LEU 2 42.752 7.740 13.481
18 HD11 LEU 2 HD11 LEU 2 40.716 8.191 12.157
19 HD12 LEU 2 HD12 LEU 2 40.308 7.343 13.668
20 HD13 LEU 2 HD13 LEU 2 40.341 6.453 12.127
21 HD21 LEU 2 HD21 LEU 2 43.421 5.545 14.133
22 HD22 LEU 2 HD22 LEU 2 42.235 4.768 13.055
23 HD23 LEU 2 HD23 LEU 2 41.689 5.607 14.527
24 H ARG 3 HN ARG 3 46.363 7.925 11.187
25 HA ARG 3 HA ARG 3 47.739 8.310 9.380
26 HB2 ARG 3 HB2 ARG 3 46.827 5.669 8.195
27 HB3 ARG 3 HB1 ARG 3 48.353 6.535 7.919
28 HG2 ARG 3 HG2 ARG 3 48.842 6.259 10.406
29 HG3 ARG 3 HG1 ARG 3 47.444 5.161 10.480
30 HD2 ARG 3 HD2 ARG 3 48.486 3.759 8.691
31 HD3 ARG 3 HD1 ARG 3 49.912 4.824 8.720
32 HE ARG 3 HE ARG 3 49.418 2.700 10.571
33 HH11 ARG 3 HH11 ARG 3 52.032 4.184 10.138
34 HH12 ARG 3 HH12 ARG 3 52.271 4.913 11.692
35 HH21 ARG 3 HH21 ARG 3 48.997 4.421 12.720
36 HH22 ARG 3 HH22 ARG 3 50.552 5.046 13.153
37 H ARG 4 HN ARG 4 44.382 7.491 8.864
38 HA ARG 4 HA ARG 4 44.393 8.611 6.111
39 HB2 ARG 4 HB2 ARG 4 42.124 7.552 7.844
40 HB3 ARG 4 HB1 ARG 4 42.013 7.992 6.123
41 HG2 ARG 4 HG2 ARG 4 43.774 6.292 5.606
42 HG3 ARG 4 HG1 ARG 4 43.774 5.808 7.318
43 HD2 ARG 4 HD2 ARG 4 41.357 5.244 7.147
44 HD3 ARG 4 HD1 ARG 4 41.385 5.693 5.424
45 HE ARG 4 HE ARG 4 43.421 3.722 5.997
46 HH11 ARG 4 HH11 ARG 4 41.390 3.876 3.683
47 HH12 ARG 4 HH12 ARG 4 40.494 2.417 3.951
48 HH21 ARG 4 HH21 ARG 4 41.686 1.966 7.176
49 HH22 ARG 4 HH22 ARG 4 40.663 1.336 5.930
50 H ILE 5 HN ILE 5 43.388 9.412 9.416
51 HA ILE 5 HA ILE 5 42.641 11.405 10.327
52 HB ILE 5 HB ILE 5 43.686 12.792 7.823
53 HG12 ILE 5 HG12 ILE 5 45.222 11.853 10.293
54 HG13 ILE 5 HG11 ILE 5 45.401 11.204 8.646
55 HG21 ILE 5 HG21 ILE 5 43.724 13.702 10.731
56 HG22 ILE 5 HG22 ILE 5 42.355 14.039 9.645
57 HG23 ILE 5 HG23 ILE 5 43.967 14.685 9.268
58 HD11 ILE 5 HD1 ILE 5 46.172 13.949 9.690
59 HD12 ILE 5 HD2 ILE 5 45.938 13.657 7.949
60 HD13 ILE 5 HD3 ILE 5 47.184 12.757 8.846
61 H GLY 6 HN GLY 6 40.446 11.021 10.263
62 HA2 GLY 6 HA1 GLY 6 38.258 11.221 9.518
63 HA3 GLY 6 HA2 GLY 6 38.779 12.842 9.020
64 H LYS 7 HN LYS 7 40.396 10.191 7.509
65 HA LYS 7 HA LYS 7 40.411 9.525 5.284
66 HB2 LYS 7 HB2 LYS 7 37.402 9.788 5.660
67 HB3 LYS 7 HB1 LYS 7 38.201 8.938 4.315
68 HG2 LYS 7 HG2 LYS 7 39.155 7.299 5.783
69 HG3 LYS 7 HG1 LYS 7 38.746 8.251 7.231
70 HD2 LYS 7 HD2 LYS 7 37.168 6.369 6.944
71 HD3 LYS 7 HD1 LYS 7 36.332 7.929 6.764
72 HE2 LYS 7 HE2 LYS 7 37.435 6.492 4.325
73 HE3 LYS 7 HE1 LYS 7 35.855 6.039 5.008
74 HZ1 LYS 7 HZ1 LYS 7 35.977 8.831 4.880
75 HZ2 LYS 7 HZ2 LYS 7 34.970 7.781 4.003
76 HZ3 LYS 7 HZ3 LYS 7 36.482 8.236 3.375
77 H GLY 8 HN GLY 8 39.906 12.562 6.138
78 HA2 GLY 8 HA1 GLY 8 38.718 13.698 3.742
79 HA3 GLY 8 HA2 GLY 8 39.594 14.572 5.016
80 H VAL 9 HN VAL 9 39.678 13.336 1.832
81 HA VAL 9 HA VAL 9 42.500 13.016 1.487
82 HB VAL 9 HB VAL 9 40.437 13.927 -0.573
83 HG11 VAL 9 HG11 VAL 9 43.236 12.737 -0.783
84 HG12 VAL 9 HG12 VAL 9 42.689 14.315 -1.396
85 HG13 VAL 9 HG13 VAL 9 42.097 12.815 -2.146
86 HG21 VAL 9 HG21 VAL 9 40.179 11.577 -1.095
87 HG22 VAL 9 HG22 VAL 9 39.938 11.764 0.659
88 HG23 VAL 9 HG23 VAL 9 41.480 11.131 0.035
89 H LYS 10 HN LYS 10 41.046 15.556 -0.469
90 HA LYS 10 HA LYS 10 42.115 17.793 0.996
91 HB2 LYS 10 HB2 LYS 10 44.273 16.721 0.287
92 HB3 LYS 10 HB1 LYS 10 43.765 16.911 -1.407
93 HG2 LYS 10 HG2 LYS 10 43.645 19.344 -1.141
94 HG3 LYS 10 HG1 LYS 10 44.031 19.199 0.592
95 HD2 LYS 10 HD2 LYS 10 46.232 18.278 0.074
96 HD3 LYS 10 HD1 LYS 10 45.847 18.248 -1.664
97 HE2 LYS 10 HE2 LYS 10 47.182 20.227 -1.245
98 HE3 LYS 10 HE1 LYS 10 45.512 20.758 -1.547
99 HZ1 LYS 10 HZ1 LYS 10 45.167 20.846 0.859
100 HZ2 LYS 10 HZ2 LYS 10 46.433 21.871 0.378
101 HZ3 LYS 10 HZ3 LYS 10 46.778 20.384 1.123
102 H ILE 11 HN ILE 11 40.896 16.266 -1.890
103 HA ILE 11 HA ILE 11 39.647 18.878 -2.707
104 HB ILE 11 HB ILE 11 40.784 16.877 -4.700
105 HG12 ILE 11 HG12 ILE 11 42.027 19.441 -3.601
106 HG13 ILE 11 HG11 ILE 11 42.652 17.789 -3.392
107 HG21 ILE 11 HG21 ILE 11 40.366 18.598 -6.320
108 HG22 ILE 11 HG22 ILE 11 40.091 19.824 -5.059
109 HG23 ILE 11 HG23 ILE 11 38.900 18.528 -5.317
110 HD11 ILE 11 HD1 ILE 11 43.938 18.668 -5.185
111 HD12 ILE 11 HD2 ILE 11 42.529 19.461 -5.925
112 HD13 ILE 11 HD3 ILE 11 42.693 17.688 -5.996
113 H ILE 12 HN ILE 12 39.762 15.323 -3.093
114 HA ILE 12 HA ILE 12 36.941 15.289 -4.006
115 HB ILE 12 HB ILE 12 38.898 13.044 -3.392
116 HG12 ILE 12 HG12 ILE 12 38.051 14.154 -6.112
117 HG13 ILE 12 HG11 ILE 12 39.534 14.653 -5.270
118 HG21 ILE 12 HG21 ILE 12 36.107 13.111 -4.604
119 HG22 ILE 12 HG22 ILE 12 36.735 12.061 -3.314
120 HG23 ILE 12 HG23 ILE 12 37.231 11.791 -4.993
121 HD11 ILE 12 HD1 ILE 12 38.887 12.024 -6.610
122 HD12 ILE 12 HD2 ILE 12 39.944 11.979 -5.178
123 HD13 ILE 12 HD3 ILE 12 40.406 12.944 -6.596
124 H GLY 13 HN GLY 13 38.187 12.773 -1.873
125 HA2 GLY 13 HA1 GLY 13 35.938 12.911 -0.118
126 HA3 GLY 13 HA2 GLY 13 37.494 12.125 0.244
127 H GLY 14 HN GLY 14 38.380 14.966 -0.753
128 HA2 GLY 14 HA1 GLY 14 38.788 16.087 1.944
129 HA3 GLY 14 HA2 GLY 14 39.457 16.694 0.411
130 H ALA 15 HN ALA 15 37.221 17.006 -1.194
131 HA ALA 15 HA ALA 15 35.917 19.314 0.222
132 HB1 ALA 15 HB1 ALA 15 36.769 19.468 -2.169
133 HB2 ALA 15 HB2 ALA 15 35.070 19.934 -1.929
134 HB3 ALA 15 HB3 ALA 15 35.464 18.345 -2.623
135 H ALA 16 HN ALA 16 35.564 16.486 0.952
136 HA ALA 16 HA ALA 16 33.813 15.212 1.751
137 HB1 ALA 16 HB1 ALA 16 32.691 17.576 1.945
138 HB2 ALA 16 HB2 ALA 16 31.671 16.121 2.019
139 HB3 ALA 16 HB3 ALA 16 31.764 17.065 0.515
140 H LEU 17 HN LEU 17 35.116 14.482 -0.530
141 HA LEU 17 HA LEU 17 34.842 13.097 -2.379
142 HB2 LEU 17 HB2 LEU 17 31.911 12.801 -1.614
143 HB3 LEU 17 HB1 LEU 17 32.900 11.681 -2.567
144 HG LEU 17 HG LEU 17 33.692 12.343 0.297
145 HD11 LEU 17 HD11 LEU 17 31.337 11.659 0.428
146 HD12 LEU 17 HD12 LEU 17 32.386 10.354 1.031
147 HD13 LEU 17 HD13 LEU 17 31.671 10.243 -0.595
148 HD21 LEU 17 HD21 LEU 17 35.190 11.035 -1.334
149 HD22 LEU 17 HD22 LEU 17 33.954 9.760 -1.303
150 HD23 LEU 17 HD23 LEU 17 34.807 10.208 0.192
151 H ASP 18 HN ASP 18 34.498 15.938 -2.620
152 HA ASP 18 HA ASP 18 33.778 17.506 -4.161
153 HB2 ASP 18 HB2 ASP 18 33.438 14.981 -5.824
154 HB3 ASP 18 HB1 ASP 18 33.257 16.626 -6.477
155 H HIS 19 HN HIS 19 31.581 14.927 -5.279
156 HA HIS 19 HA HIS 19 29.284 16.057 -3.860
157 HB2 HIS 19 HB2 HIS 19 28.052 16.787 -5.860
158 HB3 HIS 19 HB1 HIS 19 29.552 17.728 -5.671
159 HD1 HIS 19 HD1 HIS 19 31.618 15.736 -6.811
160 HD2 HIS 19 HD2 HIS 19 27.902 16.525 -8.622
161 HE1 HIS 19 HE1 HIS 19 31.833 15.134 -9.285
162 H LEU 20 HN LEU 20 30.361 13.525 -3.813
163 HA LEU 20 HA LEU 20 29.825 11.297 -4.168
164 HB2 LEU 20 HB2 LEU 20 27.691 12.246 -3.132
165 HB3 LEU 20 HB1 LEU 20 27.038 12.344 -4.781
166 HG LEU 20 HG LEU 20 27.739 9.792 -4.942
167 HD11 LEU 20 HD11 LEU 20 27.470 8.653 -2.695
168 HD12 LEU 20 HD12 LEU 20 27.612 10.247 -1.923
169 HD13 LEU 20 HD13 LEU 20 28.975 9.582 -2.854
170 HD21 LEU 20 HD21 LEU 20 25.403 10.710 -3.205
171 HD22 LEU 20 HD22 LEU 20 25.534 9.130 -4.013
172 HD23 LEU 20 HD23 LEU 20 25.407 10.618 -4.981
Start of MODEL 77
1 H1 TRP 1 HT1 TRP 1 35.429 16.183 10.389
2 H2 TRP 1 HT2 TRP 1 34.066 16.188 9.375
3 H3 TRP 1 HT3 TRP 1 35.614 16.451 8.726
4 HA TRP 1 HA TRP 1 34.239 14.036 9.223
5 HB2 TRP 1 HB2 TRP 1 36.899 14.680 7.888
6 HB3 TRP 1 HB1 TRP 1 35.981 13.164 7.719
7 HD1 TRP 1 HD1 TRP 1 33.426 13.467 6.678
8 HE1 TRP 1 HE1 TRP 1 32.591 15.044 4.787
9 HE3 TRP 1 HE3 TRP 1 37.236 16.885 6.737
10 HZ2 TRP 1 HZ2 TRP 1 33.483 17.460 3.498
11 HZ3 TRP 1 HZ3 TRP 1 37.224 18.818 5.168
12 HH2 TRP 1 HH2 TRP 1 35.352 19.109 3.550
13 H LEU 2 HN LEU 2 34.795 12.279 10.407
14 HA LEU 2 HA LEU 2 36.578 12.716 12.662
15 HB2 LEU 2 HB2 LEU 2 34.424 11.240 12.493
16 HB3 LEU 2 HB1 LEU 2 35.499 10.020 11.779
17 HG LEU 2 HG LEU 2 37.020 10.511 13.909
18 HD11 LEU 2 HD11 LEU 2 35.773 12.405 14.822
19 HD12 LEU 2 HD12 LEU 2 35.588 11.022 15.921
20 HD13 LEU 2 HD13 LEU 2 34.264 11.464 14.820
21 HD21 LEU 2 HD21 LEU 2 35.902 8.356 13.436
22 HD22 LEU 2 HD22 LEU 2 34.382 8.989 14.112
23 HD23 LEU 2 HD23 LEU 2 35.796 8.757 15.166
24 H ARG 3 HN ARG 3 37.072 11.874 9.444
25 HA ARG 3 HA ARG 3 39.025 11.329 8.333
26 HB2 ARG 3 HB2 ARG 3 40.131 12.435 10.451
27 HB3 ARG 3 HB1 ARG 3 40.498 10.762 10.926
28 HG2 ARG 3 HG2 ARG 3 41.623 10.395 8.740
29 HG3 ARG 3 HG1 ARG 3 41.286 12.084 8.293
30 HD2 ARG 3 HD2 ARG 3 42.847 11.275 10.782
31 HD3 ARG 3 HD1 ARG 3 43.610 11.698 9.230
32 HE ARG 3 HE ARG 3 41.809 13.796 9.976
33 HH11 ARG 3 HH11 ARG 3 43.689 15.411 9.479
34 HH12 ARG 3 HH12 ARG 3 44.839 15.492 10.772
35 HH21 ARG 3 HH21 ARG 3 43.764 12.553 12.265
36 HH22 ARG 3 HH22 ARG 3 44.880 13.874 12.350
37 H ARG 4 HN ARG 4 38.514 9.329 11.275
38 HA ARG 4 HA ARG 4 39.497 6.917 9.975
39 HB2 ARG 4 HB2 ARG 4 37.828 7.330 12.488
40 HB3 ARG 4 HB1 ARG 4 38.542 5.779 11.981
41 HG2 ARG 4 HG2 ARG 4 40.784 6.660 12.163
42 HG3 ARG 4 HG1 ARG 4 40.175 8.317 12.398
43 HD2 ARG 4 HD2 ARG 4 40.913 7.046 14.519
44 HD3 ARG 4 HD1 ARG 4 39.303 7.804 14.561
45 HE ARG 4 HE ARG 4 38.400 5.640 14.771
46 HH11 ARG 4 HH11 ARG 4 41.731 5.478 14.039
47 HH12 ARG 4 HH12 ARG 4 41.720 3.786 13.671
48 HH21 ARG 4 HH21 ARG 4 38.282 3.469 13.989
49 HH22 ARG 4 HH22 ARG 4 39.767 2.649 13.642
50 H ILE 5 HN ILE 5 36.687 8.738 9.634
51 HA ILE 5 HA ILE 5 35.316 6.438 8.295
52 HB ILE 5 HB ILE 5 33.796 8.363 10.107
53 HG12 ILE 5 HG12 ILE 5 34.816 5.546 10.699
54 HG13 ILE 5 HG11 ILE 5 35.344 7.043 11.499
55 HG21 ILE 5 HG21 ILE 5 31.956 6.866 9.767
56 HG22 ILE 5 HG22 ILE 5 33.006 5.612 9.066
57 HG23 ILE 5 HG23 ILE 5 32.672 7.105 8.157
58 HD11 ILE 5 HD1 ILE 5 33.743 6.124 12.993
59 HD12 ILE 5 HD2 ILE 5 32.649 5.655 11.672
60 HD13 ILE 5 HD3 ILE 5 32.833 7.371 12.109
61 H GLY 6 HN GLY 6 36.539 7.907 6.661
62 HA2 GLY 6 HA1 GLY 6 34.680 9.161 5.011
63 HA3 GLY 6 HA2 GLY 6 35.319 10.461 6.039
64 H LYS 7 HN LYS 7 37.956 9.313 6.342
65 HA LYS 7 HA LYS 7 40.012 9.499 5.291
66 HB2 LYS 7 HB2 LYS 7 38.586 8.470 2.814
67 HB3 LYS 7 HB1 LYS 7 40.304 8.286 3.241
68 HG2 LYS 7 HG2 LYS 7 39.551 7.019 5.315
69 HG3 LYS 7 HG1 LYS 7 37.905 7.033 4.636
70 HD2 LYS 7 HD2 LYS 7 38.751 5.898 2.590
71 HD3 LYS 7 HD1 LYS 7 40.382 5.853 3.302
72 HE2 LYS 7 HE2 LYS 7 37.873 4.475 4.346
73 HE3 LYS 7 HE1 LYS 7 39.349 3.702 3.719
74 HZ1 LYS 7 HZ1 LYS 7 39.745 3.623 5.950
75 HZ2 LYS 7 HZ2 LYS 7 38.887 5.050 6.289
76 HZ3 LYS 7 HZ3 LYS 7 40.442 5.131 5.610
77 H GLY 8 HN GLY 8 38.915 11.910 5.487
78 HA2 GLY 8 HA1 GLY 8 38.429 13.280 3.021
79 HA3 GLY 8 HA2 GLY 8 38.903 14.029 4.559
80 H VAL 9 HN VAL 9 39.838 13.253 1.383
81 HA VAL 9 HA VAL 9 42.683 13.055 1.737
82 HB VAL 9 HB VAL 9 41.085 14.063 -0.662
83 HG11 VAL 9 HG11 VAL 9 43.994 13.234 -0.293
84 HG12 VAL 9 HG12 VAL 9 43.372 14.783 -0.910
85 HG13 VAL 9 HG13 VAL 9 43.204 13.306 -1.887
86 HG21 VAL 9 HG21 VAL 9 42.295 11.323 -0.084
87 HG22 VAL 9 HG22 VAL 9 41.287 11.776 -1.479
88 HG23 VAL 9 HG23 VAL 9 40.577 11.724 0.153
89 H LYS 10 HN LYS 10 41.361 15.752 -0.149
90 HA LYS 10 HA LYS 10 42.103 17.815 1.730
91 HB2 LYS 10 HB2 LYS 10 44.376 16.879 1.020
92 HB3 LYS 10 HB1 LYS 10 44.021 17.499 -0.610
93 HG2 LYS 10 HG2 LYS 10 43.572 19.774 0.522
94 HG3 LYS 10 HG1 LYS 10 44.325 19.077 1.976
95 HD2 LYS 10 HD2 LYS 10 45.636 19.253 -0.775
96 HD3 LYS 10 HD1 LYS 10 45.971 20.338 0.594
97 HE2 LYS 10 HE2 LYS 10 46.533 18.180 1.927
98 HE3 LYS 10 HE1 LYS 10 46.583 17.374 0.340
99 HZ1 LYS 10 HZ1 LYS 10 48.345 18.696 -0.355
100 HZ2 LYS 10 HZ2 LYS 10 48.736 18.359 1.263
101 HZ3 LYS 10 HZ3 LYS 10 48.089 19.872 0.840
102 H ILE 11 HN ILE 11 41.360 16.669 -1.490
103 HA ILE 11 HA ILE 11 39.992 19.292 -2.069
104 HB ILE 11 HB ILE 11 41.367 17.586 -4.188
105 HG12 ILE 11 HG12 ILE 11 42.397 20.059 -2.721
106 HG13 ILE 11 HG11 ILE 11 43.087 18.422 -2.638
107 HG21 ILE 11 HG21 ILE 11 39.448 19.216 -4.745
108 HG22 ILE 11 HG22 ILE 11 40.973 19.464 -5.626
109 HG23 ILE 11 HG23 ILE 11 40.554 20.521 -4.256
110 HD11 ILE 11 HD1 ILE 11 44.455 19.543 -4.222
111 HD12 ILE 11 HD2 ILE 11 43.065 20.349 -4.985
112 HD13 ILE 11 HD3 ILE 11 43.325 18.604 -5.226
113 H ILE 12 HN ILE 12 40.344 15.850 -3.030
114 HA ILE 12 HA ILE 12 37.630 15.768 -4.127
115 HB ILE 12 HB ILE 12 39.531 13.533 -3.340
116 HG12 ILE 12 HG12 ILE 12 40.677 14.925 -4.933
117 HG13 ILE 12 HG11 ILE 12 40.107 13.499 -5.820
118 HG21 ILE 12 HG21 ILE 12 37.471 12.451 -3.653
119 HG22 ILE 12 HG22 ILE 12 38.127 12.382 -5.303
120 HG23 ILE 12 HG23 ILE 12 36.914 13.611 -4.877
121 HD11 ILE 12 HD1 ILE 12 38.011 14.984 -6.385
122 HD12 ILE 12 HD2 ILE 12 39.531 15.287 -7.253
123 HD13 ILE 12 HD3 ILE 12 39.052 16.343 -5.905
124 H GLY 13 HN GLY 13 38.631 13.149 -1.992
125 HA2 GLY 13 HA1 GLY 13 36.196 13.075 -0.548
126 HA3 GLY 13 HA2 GLY 13 37.745 12.411 0.017
127 H GLY 14 HN GLY 14 38.622 15.293 -0.693
128 HA2 GLY 14 HA1 GLY 14 38.509 16.324 2.057
129 HA3 GLY 14 HA2 GLY 14 39.350 17.051 0.670
130 H ALA 15 HN ALA 15 37.345 17.331 -1.228
131 HA ALA 15 HA ALA 15 35.732 19.492 0.076
132 HB1 ALA 15 HB1 ALA 15 35.759 18.601 -2.833
133 HB2 ALA 15 HB2 ALA 15 36.832 19.853 -2.154
134 HB3 ALA 15 HB3 ALA 15 35.071 20.099 -2.172
135 H ALA 16 HN ALA 16 35.416 16.639 0.686
136 HA ALA 16 HA ALA 16 33.602 15.335 1.284
137 HB1 ALA 16 HB1 ALA 16 32.328 17.639 1.115
138 HB2 ALA 16 HB2 ALA 16 31.405 16.118 1.151
139 HB3 ALA 16 HB3 ALA 16 31.678 16.957 -0.394
140 H LEU 17 HN LEU 17 35.358 14.820 -0.916
141 HA LEU 17 HA LEU 17 35.455 13.407 -2.766
142 HB2 LEU 17 HB2 LEU 17 33.843 12.165 -0.966
143 HB3 LEU 17 HB1 LEU 17 32.674 12.333 -2.289
144 HG LEU 17 HG LEU 17 35.445 11.063 -2.549
145 HD11 LEU 17 HD11 LEU 17 34.287 8.933 -2.598
146 HD12 LEU 17 HD12 LEU 17 32.701 9.739 -2.535
147 HD13 LEU 17 HD13 LEU 17 33.784 9.794 -1.124
148 HD21 LEU 17 HD21 LEU 17 34.513 10.268 -4.738
149 HD22 LEU 17 HD22 LEU 17 34.650 12.039 -4.659
150 HD23 LEU 17 HD23 LEU 17 33.063 11.258 -4.451
151 H ASP 18 HN ASP 18 34.638 16.028 -3.254
152 HA ASP 18 HA ASP 18 33.617 17.335 -4.873
153 HB2 ASP 18 HB2 ASP 18 33.639 14.659 -6.320
154 HB3 ASP 18 HB1 ASP 18 33.206 16.203 -7.091
155 H HIS 19 HN HIS 19 31.849 14.392 -5.791
156 HA HIS 19 HA HIS 19 29.437 15.160 -4.327
157 HB2 HIS 19 HB2 HIS 19 29.369 16.813 -6.172
158 HB3 HIS 19 HB1 HIS 19 29.471 15.486 -7.354
159 HD1 HIS 19 HD1 HIS 19 27.529 14.241 -4.595
160 HD2 HIS 19 HD2 HIS 19 26.709 16.833 -7.803
161 HE1 HIS 19 HE1 HIS 19 24.993 14.284 -4.911
162 H LEU 20 HN LEU 20 30.760 12.856 -4.107
163 HA LEU 20 HA LEU 20 30.571 10.562 -4.343
164 HB2 LEU 20 HB2 LEU 20 28.356 10.889 -3.452
165 HB3 LEU 20 HB1 LEU 20 27.738 11.438 -5.024
166 HG LEU 20 HG LEU 20 27.963 9.222 -5.977
167 HD11 LEU 20 HD11 LEU 20 29.479 8.619 -3.408
168 HD12 LEU 20 HD12 LEU 20 30.020 8.399 -5.090
169 HD13 LEU 20 HD13 LEU 20 28.779 7.323 -4.407
170 HD21 LEU 20 HD21 LEU 20 26.879 8.894 -3.146
171 HD22 LEU 20 HD22 LEU 20 26.398 7.979 -4.596
172 HD23 LEU 20 HD23 LEU 20 25.996 9.707 -4.461
Start of MODEL 78
1 H1 TRP 1 HT1 TRP 1 40.160 2.879 10.175
2 H2 TRP 1 HT2 TRP 1 41.019 1.537 10.764
3 H3 TRP 1 HT3 TRP 1 39.804 1.326 9.596
4 HA TRP 1 HA TRP 1 41.979 3.120 8.938
5 HB2 TRP 1 HB2 TRP 1 43.370 1.174 8.201
6 HB3 TRP 1 HB1 TRP 1 43.206 1.285 9.971
7 HD1 TRP 1 HD1 TRP 1 41.318 -0.358 11.094
8 HE1 TRP 1 HE1 TRP 1 40.562 -2.754 10.426
9 HE3 TRP 1 HE3 TRP 1 43.046 -0.435 6.276
10 HZ2 TRP 1 HZ2 TRP 1 40.706 -4.448 8.101
11 HZ3 TRP 1 HZ3 TRP 1 42.727 -2.451 4.851
12 HH2 TRP 1 HH2 TRP 1 41.559 -4.456 5.758
13 H LEU 2 HN LEU 2 41.355 3.883 7.036
14 HA LEU 2 HA LEU 2 39.382 2.466 5.421
15 HB2 LEU 2 HB2 LEU 2 39.612 4.995 5.653
16 HB3 LEU 2 HB1 LEU 2 41.063 4.869 4.638
17 HG LEU 2 HG LEU 2 39.466 3.551 2.973
18 HD11 LEU 2 HD11 LEU 2 37.122 4.479 3.066
19 HD12 LEU 2 HD12 LEU 2 37.485 5.135 4.678
20 HD13 LEU 2 HD13 LEU 2 37.496 3.376 4.407
21 HD21 LEU 2 HD21 LEU 2 39.259 6.563 3.420
22 HD22 LEU 2 HD22 LEU 2 38.799 5.716 1.924
23 HD23 LEU 2 HD23 LEU 2 40.496 5.723 2.457
24 H ARG 3 HN ARG 3 42.524 3.816 4.400
25 HA ARG 3 HA ARG 3 43.385 1.221 3.292
26 HB2 ARG 3 HB2 ARG 3 41.836 2.218 1.545
27 HB3 ARG 3 HB1 ARG 3 42.961 3.591 1.426
28 HG2 ARG 3 HG2 ARG 3 44.766 2.142 0.703
29 HG3 ARG 3 HG1 ARG 3 43.796 0.685 1.029
30 HD2 ARG 3 HD2 ARG 3 43.118 2.835 -1.028
31 HD3 ARG 3 HD1 ARG 3 43.818 1.238 -1.393
32 HE ARG 3 HE ARG 3 41.449 0.797 0.107
33 HH11 ARG 3 HH11 ARG 3 42.572 0.489 -2.954
34 HH12 ARG 3 HH12 ARG 3 41.077 0.811 -3.767
35 HH21 ARG 3 HH21 ARG 3 39.457 1.925 -0.911
36 HH22 ARG 3 HH22 ARG 3 39.313 1.624 -2.610
37 H ARG 4 HN ARG 4 43.783 4.353 4.478
38 HA ARG 4 HA ARG 4 46.721 4.031 4.533
39 HB2 ARG 4 HB2 ARG 4 47.058 6.375 3.662
40 HB3 ARG 4 HB1 ARG 4 46.496 5.219 2.430
41 HG2 ARG 4 HG2 ARG 4 44.164 6.001 2.765
42 HG3 ARG 4 HG1 ARG 4 44.735 7.171 3.978
43 HD2 ARG 4 HD2 ARG 4 44.490 8.316 1.834
44 HD3 ARG 4 HD1 ARG 4 46.223 8.187 2.223
45 HE ARG 4 HE ARG 4 45.426 5.920 0.646
46 HH11 ARG 4 HH11 ARG 4 47.386 6.240 -0.846
47 HH12 ARG 4 HH12 ARG 4 47.209 7.581 -1.928
48 HH21 ARG 4 HH21 ARG 4 44.570 8.990 -0.174
49 HH22 ARG 4 HH22 ARG 4 45.615 9.138 -1.547
50 H ILE 5 HN ILE 5 43.844 4.659 5.953
51 HA ILE 5 HA ILE 5 43.225 5.669 7.941
52 HB ILE 5 HB ILE 5 46.184 5.826 8.648
53 HG12 ILE 5 HG12 ILE 5 44.320 3.407 8.682
54 HG13 ILE 5 HG11 ILE 5 45.785 3.601 7.692
55 HG21 ILE 5 HG21 ILE 5 45.412 5.604 10.904
56 HG22 ILE 5 HG22 ILE 5 43.785 5.102 10.381
57 HG23 ILE 5 HG23 ILE 5 44.318 6.784 10.147
58 HD11 ILE 5 HD1 ILE 5 47.034 3.932 9.951
59 HD12 ILE 5 HD2 ILE 5 46.499 2.285 9.536
60 HD13 ILE 5 HD3 ILE 5 45.568 3.253 10.701
61 H GLY 6 HN GLY 6 42.439 7.595 7.077
62 HA2 GLY 6 HA1 GLY 6 43.715 9.975 8.035
63 HA3 GLY 6 HA2 GLY 6 44.008 9.813 6.292
64 H LYS 7 HN LYS 7 41.384 8.336 6.016
65 HA LYS 7 HA LYS 7 39.230 8.920 5.393
66 HB2 LYS 7 HB2 LYS 7 39.352 10.959 7.641
67 HB3 LYS 7 HB1 LYS 7 37.913 10.146 6.979
68 HG2 LYS 7 HG2 LYS 7 39.014 7.931 7.704
69 HG3 LYS 7 HG1 LYS 7 40.166 8.926 8.625
70 HD2 LYS 7 HD2 LYS 7 37.130 8.981 8.934
71 HD3 LYS 7 HD1 LYS 7 38.269 8.190 10.048
72 HE2 LYS 7 HE2 LYS 7 39.404 10.527 10.237
73 HE3 LYS 7 HE1 LYS 7 37.909 11.156 9.502
74 HZ1 LYS 7 HZ1 LYS 7 38.266 10.713 12.136
75 HZ2 LYS 7 HZ2 LYS 7 37.481 9.283 11.661
76 HZ3 LYS 7 HZ3 LYS 7 36.757 10.791 11.366
77 H GLY 8 HN GLY 8 39.202 9.839 3.433
78 HA2 GLY 8 HA1 GLY 8 38.895 11.576 1.919
79 HA3 GLY 8 HA2 GLY 8 38.938 12.731 3.263
80 H VAL 9 HN VAL 9 40.104 14.038 1.669
81 HA VAL 9 HA VAL 9 43.038 13.589 1.979
82 HB VAL 9 HB VAL 9 43.155 14.395 -0.577
83 HG11 VAL 9 HG11 VAL 9 44.095 12.274 0.255
84 HG12 VAL 9 HG12 VAL 9 43.247 12.011 -1.288
85 HG13 VAL 9 HG13 VAL 9 42.476 11.533 0.243
86 HG21 VAL 9 HG21 VAL 9 40.578 12.764 -0.617
87 HG22 VAL 9 HG22 VAL 9 41.333 13.670 -1.951
88 HG23 VAL 9 HG23 VAL 9 40.567 14.541 -0.603
89 H LYS 10 HN LYS 10 41.815 15.797 -0.417
90 HA LYS 10 HA LYS 10 41.439 18.038 1.412
91 HB2 LYS 10 HB2 LYS 10 43.985 17.635 1.335
92 HB3 LYS 10 HB1 LYS 10 43.907 18.176 -0.358
93 HG2 LYS 10 HG2 LYS 10 42.668 20.268 0.558
94 HG3 LYS 10 HG1 LYS 10 43.230 19.746 2.161
95 HD2 LYS 10 HD2 LYS 10 45.040 20.250 -0.243
96 HD3 LYS 10 HD1 LYS 10 44.774 21.399 1.088
97 HE2 LYS 10 HE2 LYS 10 45.534 19.500 2.666
98 HE3 LYS 10 HE1 LYS 10 46.108 18.670 1.200
99 HZ1 LYS 10 HZ1 LYS 10 46.860 21.479 1.708
100 HZ2 LYS 10 HZ2 LYS 10 47.662 20.301 0.783
101 HZ3 LYS 10 HZ3 LYS 10 47.700 20.223 2.480
102 H ILE 11 HN ILE 11 41.649 16.566 -1.719
103 HA ILE 11 HA ILE 11 40.456 19.008 -3.025
104 HB ILE 11 HB ILE 11 41.624 16.529 -4.331
105 HG12 ILE 11 HG12 ILE 11 43.399 17.551 -3.031
106 HG13 ILE 11 HG11 ILE 11 43.666 17.966 -4.736
107 HG21 ILE 11 HG21 ILE 11 40.578 19.195 -5.336
108 HG22 ILE 11 HG22 ILE 11 40.366 17.567 -6.006
109 HG23 ILE 11 HG23 ILE 11 41.910 18.415 -6.219
110 HD11 ILE 11 HD1 ILE 11 42.628 19.733 -2.494
111 HD12 ILE 11 HD2 ILE 11 42.351 20.151 -4.200
112 HD13 ILE 11 HD3 ILE 11 44.007 20.009 -3.579
113 H ILE 12 HN ILE 12 40.181 15.433 -2.852
114 HA ILE 12 HA ILE 12 37.451 15.610 -4.065
115 HB ILE 12 HB ILE 12 39.172 13.211 -3.338
116 HG12 ILE 12 HG12 ILE 12 40.294 14.528 -5.052
117 HG13 ILE 12 HG11 ILE 12 39.627 13.066 -5.805
118 HG21 ILE 12 HG21 ILE 12 37.054 12.251 -3.523
119 HG22 ILE 12 HG22 ILE 12 37.494 12.241 -5.242
120 HG23 ILE 12 HG23 ILE 12 36.440 13.522 -4.601
121 HD11 ILE 12 HD1 ILE 12 39.029 14.772 -7.325
122 HD12 ILE 12 HD2 ILE 12 38.661 15.933 -6.033
123 HD13 ILE 12 HD3 ILE 12 37.552 14.582 -6.359
124 H GLY 13 HN GLY 13 38.165 12.888 -2.015
125 HA2 GLY 13 HA1 GLY 13 35.878 13.162 -0.401
126 HA3 GLY 13 HA2 GLY 13 37.351 12.284 0.072
127 H GLY 14 HN GLY 14 38.619 15.021 -0.628
128 HA2 GLY 14 HA1 GLY 14 38.659 16.030 2.146
129 HA3 GLY 14 HA2 GLY 14 39.640 16.592 0.779
130 H ALA 15 HN ALA 15 37.795 17.186 -1.181
131 HA ALA 15 HA ALA 15 36.561 19.621 0.031
132 HB1 ALA 15 HB1 ALA 15 37.723 19.563 -2.241
133 HB2 ALA 15 HB2 ALA 15 36.103 20.296 -2.208
134 HB3 ALA 15 HB3 ALA 15 36.318 18.644 -2.834
135 H ALA 16 HN ALA 16 35.733 16.875 0.750
136 HA ALA 16 HA ALA 16 33.720 15.945 1.397
137 HB1 ALA 16 HB1 ALA 16 32.888 18.438 1.170
138 HB2 ALA 16 HB2 ALA 16 31.703 17.113 1.250
139 HB3 ALA 16 HB3 ALA 16 32.111 17.848 -0.318
140 H LEU 17 HN LEU 17 35.316 15.015 -0.768
141 HA LEU 17 HA LEU 17 35.130 13.580 -2.601
142 HB2 LEU 17 HB2 LEU 17 33.537 12.535 -0.794
143 HB3 LEU 17 HB1 LEU 17 32.227 13.124 -1.841
144 HG LEU 17 HG LEU 17 33.665 11.903 -3.764
145 HD11 LEU 17 HD11 LEU 17 34.906 9.994 -3.034
146 HD12 LEU 17 HD12 LEU 17 34.322 10.152 -1.361
147 HD13 LEU 17 HD13 LEU 17 35.476 11.334 -2.015
148 HD21 LEU 17 HD21 LEU 17 32.315 9.851 -3.391
149 HD22 LEU 17 HD22 LEU 17 31.344 11.319 -3.127
150 HD23 LEU 17 HD23 LEU 17 31.953 10.392 -1.734
151 H ASP 18 HN ASP 18 34.195 16.479 -2.746
152 HA ASP 18 HA ASP 18 33.225 17.879 -4.321
153 HB2 ASP 18 HB2 ASP 18 33.803 15.441 -6.046
154 HB3 ASP 18 HB1 ASP 18 33.247 17.000 -6.699
155 H HIS 19 HN HIS 19 31.991 14.969 -5.918
156 HA HIS 19 HA HIS 19 29.373 15.907 -6.259
157 HB2 HIS 19 HB2 HIS 19 30.390 13.857 -7.309
158 HB3 HIS 19 HB1 HIS 19 30.150 13.006 -5.765
159 HD1 HIS 19 HD1 HIS 19 27.412 15.292 -5.991
160 HD2 HIS 19 HD2 HIS 19 28.277 11.565 -7.737
161 HE1 HIS 19 HE1 HIS 19 25.210 14.326 -6.856
162 H LEU 20 HN LEU 20 30.812 14.222 -3.481
163 HA LEU 20 HA LEU 20 29.988 13.835 -1.354
164 HB2 LEU 20 HB2 LEU 20 29.708 16.443 -1.730
165 HB3 LEU 20 HB1 LEU 20 27.970 16.070 -1.731
166 HG LEU 20 HG LEU 20 29.969 15.420 0.486
167 HD11 LEU 20 HD11 LEU 20 28.770 17.079 1.773
168 HD12 LEU 20 HD12 LEU 20 27.531 17.247 0.506
169 HD13 LEU 20 HD13 LEU 20 29.188 17.824 0.211
170 HD21 LEU 20 HD21 LEU 20 27.756 14.794 1.704
171 HD22 LEU 20 HD22 LEU 20 28.389 13.633 0.517
172 HD23 LEU 20 HD23 LEU 20 27.036 14.705 0.079
Start of MODEL 79
1 H1 TRP 1 HT1 TRP 1 44.486 1.639 -2.731
2 H2 TRP 1 HT2 TRP 1 44.152 3.118 -1.963
3 H3 TRP 1 HT3 TRP 1 44.541 3.082 -3.617
4 HA TRP 1 HA TRP 1 42.554 2.130 -4.216
5 HB2 TRP 1 HB2 TRP 1 42.591 0.436 -2.365
6 HB3 TRP 1 HB1 TRP 1 42.010 1.700 -1.255
7 HD1 TRP 1 HD1 TRP 1 39.486 1.887 -1.052
8 HE1 TRP 1 HE1 TRP 1 37.412 1.144 -2.432
9 HE3 TRP 1 HE3 TRP 1 41.887 -0.045 -5.141
10 HZ2 TRP 1 HZ2 TRP 1 36.899 -0.117 -4.968
11 HZ3 TRP 1 HZ3 TRP 1 40.583 -1.013 -7.030
12 HH2 TRP 1 HH2 TRP 1 38.094 -1.050 -6.947
13 H LEU 2 HN LEU 2 43.417 4.678 -3.965
14 HA LEU 2 HA LEU 2 40.991 6.159 -3.882
15 HB2 LEU 2 HB2 LEU 2 40.984 5.948 -1.477
16 HB3 LEU 2 HB1 LEU 2 42.710 6.351 -1.381
17 HG LEU 2 HG LEU 2 42.286 8.648 -2.036
18 HD11 LEU 2 HD11 LEU 2 39.487 7.615 -2.645
19 HD12 LEU 2 HD12 LEU 2 40.608 8.478 -3.727
20 HD13 LEU 2 HD13 LEU 2 39.813 9.347 -2.395
21 HD21 LEU 2 HD21 LEU 2 41.856 8.064 0.338
22 HD22 LEU 2 HD22 LEU 2 40.156 7.719 -0.059
23 HD23 LEU 2 HD23 LEU 2 40.786 9.377 -0.208
24 H ARG 3 HN ARG 3 44.354 6.584 -2.830
25 HA ARG 3 HA ARG 3 45.194 7.936 -5.237
26 HB2 ARG 3 HB2 ARG 3 43.794 9.761 -4.216
27 HB3 ARG 3 HB1 ARG 3 44.828 9.692 -2.770
28 HG2 ARG 3 HG2 ARG 3 46.807 10.245 -4.141
29 HG3 ARG 3 HG1 ARG 3 45.792 10.285 -5.603
30 HD2 ARG 3 HD2 ARG 3 44.495 12.152 -4.712
31 HD3 ARG 3 HD1 ARG 3 45.367 12.062 -3.162
32 HE ARG 3 HE ARG 3 47.163 12.453 -5.427
33 HH11 ARG 3 HH11 ARG 3 48.398 13.883 -3.610
34 HH12 ARG 3 HH12 ARG 3 47.679 15.455 -3.508
35 HH21 ARG 3 HH21 ARG 3 44.759 14.517 -5.124
36 HH22 ARG 3 HH22 ARG 3 45.620 15.814 -4.366
37 H ARG 4 HN ARG 4 45.419 6.849 -2.003
38 HA ARG 4 HA ARG 4 48.100 5.933 -2.255
39 HB2 ARG 4 HB2 ARG 4 49.114 7.464 -0.479
40 HB3 ARG 4 HB1 ARG 4 48.877 8.195 -2.084
41 HG2 ARG 4 HG2 ARG 4 46.742 9.199 -1.311
42 HG3 ARG 4 HG1 ARG 4 46.994 8.480 0.298
43 HD2 ARG 4 HD2 ARG 4 48.988 10.358 -1.035
44 HD3 ARG 4 HD1 ARG 4 47.725 10.908 0.092
45 HE ARG 4 HE ARG 4 48.989 8.917 1.521
46 HH11 ARG 4 HH11 ARG 4 49.284 12.062 1.666
47 HH12 ARG 4 HH12 ARG 4 51.006 12.170 1.813
48 HH21 ARG 4 HH21 ARG 4 51.557 8.875 0.882
49 HH22 ARG 4 HH22 ARG 4 52.294 10.365 1.369
50 H ILE 5 HN ILE 5 45.208 5.545 -1.264
51 HA ILE 5 HA ILE 5 44.199 4.332 0.426
52 HB ILE 5 HB ILE 5 46.978 3.602 1.443
53 HG12 ILE 5 HG12 ILE 5 45.383 2.306 -0.817
54 HG13 ILE 5 HG11 ILE 5 46.859 3.275 -1.033
55 HG21 ILE 5 HG21 ILE 5 45.903 1.640 2.295
56 HG22 ILE 5 HG22 ILE 5 44.431 1.936 1.339
57 HG23 ILE 5 HG23 ILE 5 44.824 2.986 2.719
58 HD11 ILE 5 HD1 ILE 5 47.637 1.034 -1.030
59 HD12 ILE 5 HD2 ILE 5 46.553 0.564 0.299
60 HD13 ILE 5 HD3 ILE 5 47.965 1.599 0.624
61 H GLY 6 HN GLY 6 43.238 4.977 2.239
62 HA2 GLY 6 HA1 GLY 6 42.979 5.929 4.341
63 HA3 GLY 6 HA2 GLY 6 44.739 6.088 4.467
64 H LYS 7 HN LYS 7 45.678 7.818 2.895
65 HA LYS 7 HA LYS 7 44.211 10.316 3.535
66 HB2 LYS 7 HB2 LYS 7 46.876 9.999 2.111
67 HB3 LYS 7 HB1 LYS 7 46.248 11.437 2.948
68 HG2 LYS 7 HG2 LYS 7 46.226 10.122 5.089
69 HG3 LYS 7 HG1 LYS 7 46.993 8.770 4.224
70 HD2 LYS 7 HD2 LYS 7 48.863 10.343 3.575
71 HD3 LYS 7 HD1 LYS 7 48.130 11.567 4.638
72 HE2 LYS 7 HE2 LYS 7 49.038 8.791 5.516
73 HE3 LYS 7 HE1 LYS 7 49.931 10.303 5.800
74 HZ1 LYS 7 HZ1 LYS 7 47.351 10.766 6.670
75 HZ2 LYS 7 HZ2 LYS 7 48.731 10.536 7.634
76 HZ3 LYS 7 HZ3 LYS 7 47.734 9.217 7.243
77 H GLY 8 HN GLY 8 44.657 12.086 1.694
78 HA2 GLY 8 HA1 GLY 8 44.466 12.631 -0.622
79 HA3 GLY 8 HA2 GLY 8 43.935 10.977 -0.983
80 H VAL 9 HN VAL 9 42.931 13.880 0.877
81 HA VAL 9 HA VAL 9 40.276 13.780 -0.398
82 HB VAL 9 HB VAL 9 39.070 13.785 1.829
83 HG11 VAL 9 HG11 VAL 9 40.640 11.208 1.409
84 HG12 VAL 9 HG12 VAL 9 39.349 11.735 0.303
85 HG13 VAL 9 HG13 VAL 9 38.976 11.398 2.009
86 HG21 VAL 9 HG21 VAL 9 40.299 12.797 3.767
87 HG22 VAL 9 HG22 VAL 9 40.991 14.356 3.257
88 HG23 VAL 9 HG23 VAL 9 41.800 12.835 2.810
89 H LYS 10 HN LYS 10 42.721 15.536 -0.004
90 HA LYS 10 HA LYS 10 41.805 17.756 1.663
91 HB2 LYS 10 HB2 LYS 10 43.953 17.660 -0.494
92 HB3 LYS 10 HB1 LYS 10 43.732 18.950 0.711
93 HG2 LYS 10 HG2 LYS 10 44.325 17.515 2.525
94 HG3 LYS 10 HG1 LYS 10 44.149 16.050 1.532
95 HD2 LYS 10 HD2 LYS 10 46.531 16.562 1.831
96 HD3 LYS 10 HD1 LYS 10 46.075 16.800 0.127
97 HE2 LYS 10 HE2 LYS 10 46.056 19.177 0.352
98 HE3 LYS 10 HE1 LYS 10 46.061 19.090 2.132
99 HZ1 LYS 10 HZ1 LYS 10 48.284 17.735 1.534
100 HZ2 LYS 10 HZ2 LYS 10 48.254 19.404 1.848
101 HZ3 LYS 10 HZ3 LYS 10 48.260 18.838 0.246
102 H ILE 11 HN ILE 11 41.099 16.602 -1.471
103 HA ILE 11 HA ILE 11 39.667 19.166 -2.124
104 HB ILE 11 HB ILE 11 41.176 17.520 -4.190
105 HG12 ILE 11 HG12 ILE 11 42.048 20.046 -2.711
106 HG13 ILE 11 HG11 ILE 11 42.822 18.448 -2.623
107 HG21 ILE 11 HG21 ILE 11 40.726 19.367 -5.658
108 HG22 ILE 11 HG22 ILE 11 40.220 20.413 -4.310
109 HG23 ILE 11 HG23 ILE 11 39.194 19.049 -4.815
110 HD11 ILE 11 HD1 ILE 11 44.157 19.650 -4.176
111 HD12 ILE 11 HD2 ILE 11 42.741 20.385 -4.960
112 HD13 ILE 11 HD3 ILE 11 43.098 18.657 -5.206
113 H ILE 12 HN ILE 12 40.168 15.697 -2.652
114 HA ILE 12 HA ILE 12 37.701 15.327 -4.156
115 HB ILE 12 HB ILE 12 39.434 13.391 -2.593
116 HG12 ILE 12 HG12 ILE 12 39.403 13.984 -5.592
117 HG13 ILE 12 HG11 ILE 12 40.573 14.681 -4.450
118 HG21 ILE 12 HG21 ILE 12 38.382 11.692 -4.208
119 HG22 ILE 12 HG22 ILE 12 37.233 12.968 -4.668
120 HG23 ILE 12 HG23 ILE 12 37.273 12.363 -2.996
121 HD11 ILE 12 HD1 ILE 12 40.961 12.091 -3.808
122 HD12 ILE 12 HD2 ILE 12 41.794 12.832 -5.193
123 HD13 ILE 12 HD3 ILE 12 40.345 11.840 -5.460
124 H GLY 13 HN GLY 13 38.432 13.421 -1.255
125 HA2 GLY 13 HA1 GLY 13 35.729 13.524 -0.298
126 HA3 GLY 13 HA2 GLY 13 37.160 13.024 0.636
127 H GLY 14 HN GLY 14 38.094 15.733 -0.679
128 HA2 GLY 14 HA1 GLY 14 37.641 17.352 1.760
129 HA3 GLY 14 HA2 GLY 14 38.661 17.768 0.363
130 H ALA 15 HN ALA 15 36.841 17.411 -1.740
131 HA ALA 15 HA ALA 15 35.125 19.825 -1.298
132 HB1 ALA 15 HB1 ALA 15 34.705 19.674 -3.712
133 HB2 ALA 15 HB2 ALA 15 35.591 18.135 -3.791
134 HB3 ALA 15 HB3 ALA 15 36.452 19.643 -3.387
135 H ALA 16 HN ALA 16 34.736 17.258 0.057
136 HA ALA 16 HA ALA 16 32.888 16.068 0.766
137 HB1 ALA 16 HB1 ALA 16 30.712 16.729 0.219
138 HB2 ALA 16 HB2 ALA 16 31.151 17.190 -1.442
139 HB3 ALA 16 HB3 ALA 16 31.632 18.222 -0.076
140 H LEU 17 HN LEU 17 34.870 15.126 -1.101
141 HA LEU 17 HA LEU 17 35.161 13.364 -2.599
142 HB2 LEU 17 HB2 LEU 17 33.606 12.436 -0.590
143 HB3 LEU 17 HB1 LEU 17 32.461 12.194 -1.923
144 HG LEU 17 HG LEU 17 35.331 11.136 -1.868
145 HD11 LEU 17 HD11 LEU 17 32.703 9.625 -1.556
146 HD12 LEU 17 HD12 LEU 17 33.748 10.095 -0.193
147 HD13 LEU 17 HD13 LEU 17 34.349 8.962 -1.428
148 HD21 LEU 17 HD21 LEU 17 34.488 9.763 -3.808
149 HD22 LEU 17 HD22 LEU 17 34.538 11.509 -4.152
150 HD23 LEU 17 HD23 LEU 17 32.987 10.715 -3.779
151 H ASP 18 HN ASP 18 34.351 15.604 -3.864
152 HA ASP 18 HA ASP 18 33.271 16.398 -5.763
153 HB2 ASP 18 HB2 ASP 18 33.428 13.434 -6.438
154 HB3 ASP 18 HB1 ASP 18 33.026 14.716 -7.606
155 H HIS 19 HN HIS 19 31.617 15.385 -3.431
156 HA HIS 19 HA HIS 19 29.370 15.070 -2.947
157 HB2 HIS 19 HB2 HIS 19 29.013 16.370 -5.678
158 HB3 HIS 19 HB1 HIS 19 27.759 16.216 -4.423
159 HD1 HIS 19 HD1 HIS 19 27.871 17.773 -2.379
160 HD2 HIS 19 HD2 HIS 19 31.054 18.289 -5.080
161 HE1 HIS 19 HE1 HIS 19 29.128 19.887 -1.681
162 H LEU 20 HN LEU 20 30.353 12.734 -3.559
163 HA LEU 20 HA LEU 20 28.123 11.365 -4.824
164 HB2 LEU 20 HB2 LEU 20 29.418 12.144 -6.831
165 HB3 LEU 20 HB1 LEU 20 30.821 11.238 -6.230
166 HG LEU 20 HG LEU 20 29.410 9.136 -6.276
167 HD11 LEU 20 HD11 LEU 20 27.374 9.409 -7.947
168 HD12 LEU 20 HD12 LEU 20 27.396 11.107 -7.419
169 HD13 LEU 20 HD13 LEU 20 27.143 9.806 -6.232
170 HD21 LEU 20 HD21 LEU 20 30.986 9.773 -8.098
171 HD22 LEU 20 HD22 LEU 20 29.665 10.637 -8.920
172 HD23 LEU 20 HD23 LEU 20 29.581 8.870 -8.717
Start of MODEL 80
1 H1 TRP 1 HT1 TRP 1 45.752 8.105 13.297
2 H2 TRP 1 HT2 TRP 1 45.513 6.807 12.226
3 H3 TRP 1 HT3 TRP 1 45.322 6.579 13.900
4 HA TRP 1 HA TRP 1 43.429 7.321 12.009
5 HB2 TRP 1 HB2 TRP 1 41.947 7.222 14.063
6 HB3 TRP 1 HB1 TRP 1 42.954 5.778 13.797
7 HD1 TRP 1 HD1 TRP 1 42.422 8.680 16.168
8 HE1 TRP 1 HE1 TRP 1 43.940 8.417 18.263
9 HE3 TRP 1 HE3 TRP 1 45.325 4.772 14.580
10 HZ2 TRP 1 HZ2 TRP 1 46.112 6.726 19.105
11 HZ3 TRP 1 HZ3 TRP 1 47.114 3.850 16.046
12 HH2 TRP 1 HH2 TRP 1 47.510 4.823 18.305
13 H LEU 2 HN LEU 2 42.521 9.201 11.461
14 HA LEU 2 HA LEU 2 43.571 11.668 12.580
15 HB2 LEU 2 HB2 LEU 2 41.102 11.391 10.838
16 HB3 LEU 2 HB1 LEU 2 42.206 12.780 10.974
17 HG LEU 2 HG LEU 2 42.894 10.036 9.829
18 HD11 LEU 2 HD11 LEU 2 43.021 11.197 7.693
19 HD12 LEU 2 HD12 LEU 2 42.730 12.767 8.480
20 HD13 LEU 2 HD13 LEU 2 41.435 11.546 8.422
21 HD21 LEU 2 HD21 LEU 2 44.549 12.534 10.386
22 HD22 LEU 2 HD22 LEU 2 45.025 11.364 9.132
23 HD23 LEU 2 HD23 LEU 2 44.902 10.846 10.827
24 H ARG 3 HN ARG 3 40.133 10.768 12.237
25 HA ARG 3 HA ARG 3 39.661 11.342 15.119
26 HB2 ARG 3 HB2 ARG 3 38.195 12.838 12.904
27 HB3 ARG 3 HB1 ARG 3 37.926 12.996 14.658
28 HG2 ARG 3 HG2 ARG 3 40.379 13.689 14.851
29 HG3 ARG 3 HG1 ARG 3 40.401 13.790 13.073
30 HD2 ARG 3 HD2 ARG 3 38.471 15.306 14.888
31 HD3 ARG 3 HD1 ARG 3 39.934 15.996 14.149
32 HE ARG 3 HE ARG 3 38.851 15.929 12.003
33 HH11 ARG 3 HH11 ARG 3 36.615 16.225 14.344
34 HH12 ARG 3 HH12 ARG 3 35.310 15.443 13.516
35 HH21 ARG 3 HH21 ARG 3 37.325 14.175 10.994
36 HH22 ARG 3 HH22 ARG 3 35.713 14.282 11.618
37 H ARG 4 HN ARG 4 39.093 9.793 12.174
38 HA ARG 4 HA ARG 4 37.206 7.953 13.382
39 HB2 ARG 4 HB2 ARG 4 35.812 10.050 12.683
40 HB3 ARG 4 HB1 ARG 4 36.094 9.509 11.015
41 HG2 ARG 4 HG2 ARG 4 35.037 7.348 11.493
42 HG3 ARG 4 HG1 ARG 4 34.867 7.774 13.212
43 HD2 ARG 4 HD2 ARG 4 32.756 8.108 11.880
44 HD3 ARG 4 HD1 ARG 4 33.342 9.593 12.667
45 HE ARG 4 HE ARG 4 34.471 9.533 10.070
46 HH11 ARG 4 HH11 ARG 4 31.478 8.425 10.037
47 HH12 ARG 4 HH12 ARG 4 30.681 9.849 9.451
48 HH21 ARG 4 HH21 ARG 4 33.413 11.918 9.986
49 HH22 ARG 4 HH22 ARG 4 31.778 11.826 9.422
50 H ILE 5 HN ILE 5 39.719 8.662 11.510
51 HA ILE 5 HA ILE 5 40.840 7.566 9.804
52 HB ILE 5 HB ILE 5 39.049 5.147 10.292
53 HG12 ILE 5 HG12 ILE 5 41.357 6.165 12.012
54 HG13 ILE 5 HG11 ILE 5 39.656 6.030 12.507
55 HG21 ILE 5 HG21 ILE 5 42.058 5.287 9.843
56 HG22 ILE 5 HG22 ILE 5 40.905 5.249 8.488
57 HG23 ILE 5 HG23 ILE 5 40.971 3.892 9.637
58 HD11 ILE 5 HD1 ILE 5 39.871 3.512 11.900
59 HD12 ILE 5 HD2 ILE 5 40.676 4.072 13.385
60 HD13 ILE 5 HD3 ILE 5 41.629 3.801 11.907
61 H GLY 6 HN GLY 6 38.915 9.234 8.854
62 HA2 GLY 6 HA1 GLY 6 38.521 8.411 6.221
63 HA3 GLY 6 HA2 GLY 6 37.058 7.889 7.078
64 H LYS 7 HN LYS 7 39.093 10.781 7.595
65 HA LYS 7 HA LYS 7 36.718 12.476 7.674
66 HB2 LYS 7 HB2 LYS 7 38.795 12.868 9.033
67 HB3 LYS 7 HB1 LYS 7 39.646 13.290 7.527
68 HG2 LYS 7 HG2 LYS 7 38.079 15.127 7.109
69 HG3 LYS 7 HG1 LYS 7 37.120 14.669 8.537
70 HD2 LYS 7 HD2 LYS 7 39.132 15.075 9.973
71 HD3 LYS 7 HD1 LYS 7 40.013 15.635 8.531
72 HE2 LYS 7 HE2 LYS 7 37.438 16.854 9.624
73 HE3 LYS 7 HE1 LYS 7 39.068 17.547 9.797
74 HZ1 LYS 7 HZ1 LYS 7 37.282 17.683 7.585
75 HZ2 LYS 7 HZ2 LYS 7 38.764 17.002 7.109
76 HZ3 LYS 7 HZ3 LYS 7 38.727 18.530 7.852
77 H GLY 8 HN GLY 8 39.683 12.967 5.724
78 HA2 GLY 8 HA1 GLY 8 38.344 12.868 3.189
79 HA3 GLY 8 HA2 GLY 8 38.425 14.549 3.753
80 H VAL 9 HN VAL 9 39.686 13.481 1.407
81 HA VAL 9 HA VAL 9 42.506 13.037 1.995
82 HB VAL 9 HB VAL 9 41.111 13.788 -0.616
83 HG11 VAL 9 HG11 VAL 9 43.950 12.897 0.044
84 HG12 VAL 9 HG12 VAL 9 43.439 14.368 -0.820
85 HG13 VAL 9 HG13 VAL 9 43.255 12.775 -1.591
86 HG21 VAL 9 HG21 VAL 9 42.049 11.124 0.543
87 HG22 VAL 9 HG22 VAL 9 41.413 11.355 -1.103
88 HG23 VAL 9 HG23 VAL 9 40.360 11.632 0.305
89 H LYS 10 HN LYS 10 41.378 15.539 -0.269
90 HA LYS 10 HA LYS 10 42.268 17.756 1.381
91 HB2 LYS 10 HB2 LYS 10 44.459 16.654 0.705
92 HB3 LYS 10 HB1 LYS 10 44.057 17.067 -0.979
93 HG2 LYS 10 HG2 LYS 10 43.885 19.464 -0.343
94 HG3 LYS 10 HG1 LYS 10 44.325 19.044 1.330
95 HD2 LYS 10 HD2 LYS 10 46.486 18.138 0.550
96 HD3 LYS 10 HD1 LYS 10 46.049 18.524 -1.132
97 HE2 LYS 10 HE2 LYS 10 47.446 20.326 -0.344
98 HE3 LYS 10 HE1 LYS 10 45.780 20.948 -0.396
99 HZ1 LYS 10 HZ1 LYS 10 45.565 20.621 1.941
100 HZ2 LYS 10 HZ2 LYS 10 47.013 21.470 1.682
101 HZ3 LYS 10 HZ3 LYS 10 47.051 19.811 2.042
102 H ILE 11 HN ILE 11 41.191 16.324 -1.598
103 HA ILE 11 HA ILE 11 39.934 18.938 -2.367
104 HB ILE 11 HB ILE 11 41.247 17.101 -4.415
105 HG12 ILE 11 HG12 ILE 11 42.336 19.652 -3.136
106 HG13 ILE 11 HG11 ILE 11 43.000 18.014 -2.934
107 HG21 ILE 11 HG21 ILE 11 40.839 18.899 -5.947
108 HG22 ILE 11 HG22 ILE 11 40.461 20.037 -4.631
109 HG23 ILE 11 HG23 ILE 11 39.332 18.718 -5.021
110 HD11 ILE 11 HD1 ILE 11 44.364 18.981 -4.619
111 HD12 ILE 11 HD2 ILE 11 42.978 19.754 -5.423
112 HD13 ILE 11 HD3 ILE 11 43.202 17.990 -5.532
113 H ILE 12 HN ILE 12 40.222 15.428 -3.010
114 HA ILE 12 HA ILE 12 37.515 15.289 -4.127
115 HB ILE 12 HB ILE 12 39.409 13.126 -3.154
116 HG12 ILE 12 HG12 ILE 12 38.903 13.842 -6.077
117 HG13 ILE 12 HG11 ILE 12 40.107 14.745 -5.133
118 HG21 ILE 12 HG21 ILE 12 36.790 13.065 -4.705
119 HG22 ILE 12 HG22 ILE 12 37.259 12.111 -3.280
120 HG23 ILE 12 HG23 ILE 12 37.965 11.743 -4.864
121 HD11 ILE 12 HD1 ILE 12 41.305 12.987 -6.231
122 HD12 ILE 12 HD2 ILE 12 40.101 11.767 -5.773
123 HD13 ILE 12 HD3 ILE 12 41.159 12.481 -4.535
124 H GLY 13 HN GLY 13 38.571 12.933 -1.709
125 HA2 GLY 13 HA1 GLY 13 36.109 13.002 -0.267
126 HA3 GLY 13 HA2 GLY 13 37.653 12.360 0.340
127 H GLY 14 HN GLY 14 38.535 15.154 -0.692
128 HA2 GLY 14 HA1 GLY 14 38.519 16.459 1.946
129 HA3 GLY 14 HA2 GLY 14 39.324 17.031 0.467
130 H ALA 15 HN ALA 15 37.267 17.121 -1.387
131 HA ALA 15 HA ALA 15 35.702 19.425 -0.289
132 HB1 ALA 15 HB1 ALA 15 36.726 19.535 -2.572
133 HB2 ALA 15 HB2 ALA 15 34.961 19.751 -2.580
134 HB3 ALA 15 HB3 ALA 15 35.665 18.195 -3.074
135 H ALA 16 HN ALA 16 35.393 16.673 0.670
136 HA ALA 16 HA ALA 16 33.614 15.420 1.436
137 HB1 ALA 16 HB1 ALA 16 31.415 16.213 1.332
138 HB2 ALA 16 HB2 ALA 16 31.633 16.933 -0.280
139 HB3 ALA 16 HB3 ALA 16 32.351 17.713 1.149
140 H LEU 17 HN LEU 17 35.261 14.694 -0.770
141 HA LEU 17 HA LEU 17 35.272 13.111 -2.474
142 HB2 LEU 17 HB2 LEU 17 33.617 12.099 -0.563
143 HB3 LEU 17 HB1 LEU 17 32.462 12.181 -1.907
144 HG LEU 17 HG LEU 17 35.189 10.798 -2.007
145 HD11 LEU 17 HD11 LEU 17 33.872 8.713 -2.003
146 HD12 LEU 17 HD12 LEU 17 32.366 9.650 -1.864
147 HD13 LEU 17 HD13 LEU 17 33.544 9.656 -0.530
148 HD21 LEU 17 HD21 LEU 17 32.860 10.912 -3.980
149 HD22 LEU 17 HD22 LEU 17 34.289 9.867 -4.150
150 HD23 LEU 17 HD23 LEU 17 34.470 11.636 -4.208
151 H ASP 18 HN ASP 18 34.473 15.750 -3.113
152 HA ASP 18 HA ASP 18 33.377 16.970 -4.762
153 HB2 ASP 18 HB2 ASP 18 34.876 15.510 -6.113
154 HB3 ASP 18 HB1 ASP 18 33.556 14.324 -6.255
155 H HIS 19 HN HIS 19 31.514 16.596 -3.041
156 HA HIS 19 HA HIS 19 29.273 16.082 -2.626
157 HB2 HIS 19 HB2 HIS 19 27.762 16.922 -4.376
158 HB3 HIS 19 HB1 HIS 19 29.145 18.018 -4.152
159 HD1 HIS 19 HD1 HIS 19 27.612 15.564 -6.578
160 HD2 HIS 19 HD2 HIS 19 30.947 18.116 -6.351
161 HE1 HIS 19 HE1 HIS 19 28.659 15.658 -8.907
162 H LEU 20 HN LEU 20 30.501 13.713 -2.921
163 HA LEU 20 HA LEU 20 30.177 11.497 -3.543
164 HB2 LEU 20 HB2 LEU 20 27.353 12.616 -3.579
165 HB3 LEU 20 HB1 LEU 20 27.677 10.897 -3.904
166 HG LEU 20 HG LEU 20 28.768 10.646 -1.726
167 HD11 LEU 20 HD11 LEU 20 28.347 13.656 -1.585
168 HD12 LEU 20 HD12 LEU 20 29.844 12.727 -1.326
169 HD13 LEU 20 HD13 LEU 20 28.548 12.679 -0.110
170 HD21 LEU 20 HD21 LEU 20 26.253 10.487 -1.937
171 HD22 LEU 20 HD22 LEU 20 26.151 12.178 -1.392
172 HD23 LEU 20 HD23 LEU 20 26.810 10.930 -0.307
Start of MODEL 81
1 H1 TRP 1 HT1 TRP 1 43.125 6.390 15.189
2 H2 TRP 1 HT2 TRP 1 42.300 6.384 13.702
3 H3 TRP 1 HT3 TRP 1 41.574 7.064 15.080
4 HA TRP 1 HA TRP 1 42.298 8.836 13.773
5 HB2 TRP 1 HB2 TRP 1 44.330 8.319 15.980
6 HB3 TRP 1 HB1 TRP 1 43.927 9.900 15.268
7 HD1 TRP 1 HD1 TRP 1 42.145 6.999 17.123
8 HE1 TRP 1 HE1 TRP 1 40.228 7.983 18.579
9 HE3 TRP 1 HE3 TRP 1 42.539 11.919 15.760
10 HZ2 TRP 1 HZ2 TRP 1 39.050 10.566 19.063
11 HZ3 TRP 1 HZ3 TRP 1 41.008 13.625 16.732
12 HH2 TRP 1 HH2 TRP 1 39.265 12.953 18.380
13 H LEU 2 HN LEU 2 42.937 7.820 11.727
14 HA LEU 2 HA LEU 2 45.597 6.847 11.294
15 HB2 LEU 2 HB2 LEU 2 43.463 8.015 9.486
16 HB3 LEU 2 HB1 LEU 2 45.048 7.549 8.839
17 HG LEU 2 HG LEU 2 43.224 5.782 8.664
18 HD11 LEU 2 HD11 LEU 2 44.708 3.984 8.989
19 HD12 LEU 2 HD12 LEU 2 45.469 4.716 10.416
20 HD13 LEU 2 HD13 LEU 2 45.816 5.358 8.796
21 HD21 LEU 2 HD21 LEU 2 42.510 4.583 10.630
22 HD22 LEU 2 HD22 LEU 2 42.259 6.315 10.952
23 HD23 LEU 2 HD23 LEU 2 43.651 5.470 11.668
24 H ARG 3 HN ARG 3 44.508 9.690 9.533
25 HA ARG 3 HA ARG 3 46.706 11.344 10.724
26 HB2 ARG 3 HB2 ARG 3 46.285 11.097 7.719
27 HB3 ARG 3 HB1 ARG 3 47.606 11.926 8.580
28 HG2 ARG 3 HG2 ARG 3 48.256 9.678 9.563
29 HG3 ARG 3 HG1 ARG 3 47.072 8.929 8.465
30 HD2 ARG 3 HD2 ARG 3 48.258 10.010 6.530
31 HD3 ARG 3 HD1 ARG 3 49.495 10.598 7.667
32 HE ARG 3 HE ARG 3 49.382 7.855 8.132
33 HH11 ARG 3 HH11 ARG 3 51.513 9.656 6.650
34 HH12 ARG 3 HH12 ARG 3 51.791 8.664 5.257
35 HH21 ARG 3 HH21 ARG 3 49.008 6.666 5.795
36 HH22 ARG 3 HH22 ARG 3 50.374 6.971 4.774
37 H ARG 4 HN ARG 4 43.598 10.872 9.405
38 HA ARG 4 HA ARG 4 42.854 13.663 10.020
39 HB2 ARG 4 HB2 ARG 4 42.645 12.491 7.216
40 HB3 ARG 4 HB1 ARG 4 41.687 13.886 7.765
41 HG2 ARG 4 HG2 ARG 4 43.895 15.008 8.402
42 HG3 ARG 4 HG1 ARG 4 44.719 13.682 7.547
43 HD2 ARG 4 HD2 ARG 4 43.512 14.241 5.472
44 HD3 ARG 4 HD1 ARG 4 42.636 15.539 6.317
45 HE ARG 4 HE ARG 4 44.537 16.879 5.974
46 HH11 ARG 4 HH11 ARG 4 45.382 14.350 4.216
47 HH12 ARG 4 HH12 ARG 4 47.050 14.264 4.673
48 HH21 ARG 4 HH21 ARG 4 46.702 16.432 7.357
49 HH22 ARG 4 HH22 ARG 4 47.797 15.442 6.453
50 H ILE 5 HN ILE 5 42.410 10.648 10.651
51 HA ILE 5 HA ILE 5 40.617 9.329 11.284
52 HB ILE 5 HB ILE 5 38.857 11.817 11.253
53 HG12 ILE 5 HG12 ILE 5 40.968 11.024 13.314
54 HG13 ILE 5 HG11 ILE 5 40.992 12.477 12.290
55 HG21 ILE 5 HG21 ILE 5 38.025 9.422 11.842
56 HG22 ILE 5 HG22 ILE 5 37.675 10.719 13.006
57 HG23 ILE 5 HG23 ILE 5 39.009 9.581 13.316
58 HD11 ILE 5 HD1 ILE 5 39.090 11.804 14.561
59 HD12 ILE 5 HD2 ILE 5 38.696 13.049 13.351
60 HD13 ILE 5 HD3 ILE 5 40.136 13.230 14.380
61 H GLY 6 HN GLY 6 41.151 9.384 8.564
62 HA2 GLY 6 HA1 GLY 6 40.187 9.083 6.465
63 HA3 GLY 6 HA2 GLY 6 39.027 8.110 7.387
64 H LYS 7 HN LYS 7 39.287 11.549 7.965
65 HA LYS 7 HA LYS 7 36.489 11.929 7.345
66 HB2 LYS 7 HB2 LYS 7 37.893 13.245 9.021
67 HB3 LYS 7 HB1 LYS 7 38.600 14.099 7.628
68 HG2 LYS 7 HG2 LYS 7 36.381 14.874 6.928
69 HG3 LYS 7 HG1 LYS 7 35.613 13.941 8.235
70 HD2 LYS 7 HD2 LYS 7 36.947 15.278 9.898
71 HD3 LYS 7 HD1 LYS 7 37.543 16.280 8.553
72 HE2 LYS 7 HE2 LYS 7 34.663 15.953 9.486
73 HE3 LYS 7 HE1 LYS 7 35.649 17.435 9.505
74 HZ1 LYS 7 HZ1 LYS 7 34.609 17.794 7.557
75 HZ2 LYS 7 HZ2 LYS 7 34.251 16.153 7.298
76 HZ3 LYS 7 HZ3 LYS 7 35.795 16.756 6.930
77 H GLY 8 HN GLY 8 39.536 12.545 5.620
78 HA2 GLY 8 HA1 GLY 8 38.441 12.354 3.051
79 HA3 GLY 8 HA2 GLY 8 38.311 14.069 3.489
80 H VAL 9 HN VAL 9 39.807 13.330 1.320
81 HA VAL 9 HA VAL 9 42.606 12.962 2.045
82 HB VAL 9 HB VAL 9 41.340 13.910 -0.568
83 HG11 VAL 9 HG11 VAL 9 43.579 13.082 -1.493
84 HG12 VAL 9 HG12 VAL 9 44.163 13.052 0.189
85 HG13 VAL 9 HG13 VAL 9 43.652 14.589 -0.550
86 HG21 VAL 9 HG21 VAL 9 40.662 11.623 0.191
87 HG22 VAL 9 HG22 VAL 9 42.382 11.174 0.295
88 HG23 VAL 9 HG23 VAL 9 41.661 11.581 -1.281
89 H LYS 10 HN LYS 10 41.447 15.624 -0.017
90 HA LYS 10 HA LYS 10 42.075 17.718 1.867
91 HB2 LYS 10 HB2 LYS 10 44.392 16.824 1.368
92 HB3 LYS 10 HB1 LYS 10 44.146 17.318 -0.325
93 HG2 LYS 10 HG2 LYS 10 43.737 19.651 0.420
94 HG3 LYS 10 HG1 LYS 10 44.007 19.155 2.108
95 HD2 LYS 10 HD2 LYS 10 46.307 18.377 1.459
96 HD3 LYS 10 HD1 LYS 10 46.028 19.027 -0.174
97 HE2 LYS 10 HE2 LYS 10 45.687 21.282 0.760
98 HE3 LYS 10 HE1 LYS 10 45.904 20.648 2.409
99 HZ1 LYS 10 HZ1 LYS 10 48.041 21.166 2.069
100 HZ2 LYS 10 HZ2 LYS 10 47.877 21.247 0.379
101 HZ3 LYS 10 HZ3 LYS 10 48.108 19.747 1.142
102 H ILE 11 HN ILE 11 41.523 16.531 -1.386
103 HA ILE 11 HA ILE 11 40.183 19.144 -2.054
104 HB ILE 11 HB ILE 11 41.747 17.474 -4.068
105 HG12 ILE 11 HG12 ILE 11 43.205 18.612 -2.246
106 HG13 ILE 11 HG11 ILE 11 43.592 18.964 -3.938
107 HG21 ILE 11 HG21 ILE 11 40.015 18.750 -5.116
108 HG22 ILE 11 HG22 ILE 11 41.530 19.641 -5.395
109 HG23 ILE 11 HG23 ILE 11 40.388 20.195 -4.149
110 HD11 ILE 11 HD1 ILE 11 41.805 20.768 -2.251
111 HD12 ILE 11 HD2 ILE 11 42.542 21.129 -3.827
112 HD13 ILE 11 HD3 ILE 11 43.562 20.982 -2.379
113 H ILE 12 HN ILE 12 40.627 15.697 -2.922
114 HA ILE 12 HA ILE 12 38.020 15.615 -4.274
115 HB ILE 12 HB ILE 12 39.883 13.384 -3.386
116 HG12 ILE 12 HG12 ILE 12 39.611 14.703 -6.132
117 HG13 ILE 12 HG11 ILE 12 40.891 15.089 -4.960
118 HG21 ILE 12 HG21 ILE 12 37.535 13.468 -5.343
119 HG22 ILE 12 HG22 ILE 12 37.651 12.510 -3.849
120 HG23 ILE 12 HG23 ILE 12 38.677 12.109 -5.239
121 HD11 ILE 12 HD1 ILE 12 41.993 13.481 -6.252
122 HD12 ILE 12 HD2 ILE 12 40.502 12.586 -6.612
123 HD13 ILE 12 HD3 ILE 12 41.273 12.425 -5.015
124 H GLY 13 HN GLY 13 38.936 13.030 -2.043
125 HA2 GLY 13 HA1 GLY 13 36.363 12.937 -0.808
126 HA3 GLY 13 HA2 GLY 13 37.859 12.228 -0.152
127 H GLY 14 HN GLY 14 38.778 15.130 -0.805
128 HA2 GLY 14 HA1 GLY 14 38.563 16.137 1.950
129 HA3 GLY 14 HA2 GLY 14 39.468 16.866 0.604
130 H ALA 15 HN ALA 15 37.542 17.143 -1.382
131 HA ALA 15 HA ALA 15 35.894 19.324 -0.161
132 HB1 ALA 15 HB1 ALA 15 37.029 19.658 -2.363
133 HB2 ALA 15 HB2 ALA 15 35.263 19.849 -2.452
134 HB3 ALA 15 HB3 ALA 15 36.024 18.354 -3.043
135 H ALA 16 HN ALA 16 35.544 16.508 0.546
136 HA ALA 16 HA ALA 16 33.743 15.178 1.085
137 HB1 ALA 16 HB1 ALA 16 31.849 16.851 -0.579
138 HB2 ALA 16 HB2 ALA 16 32.483 17.485 0.957
139 HB3 ALA 16 HB3 ALA 16 31.545 15.973 0.938
140 H LEU 17 HN LEU 17 35.513 14.704 -1.111
141 HA LEU 17 HA LEU 17 35.620 13.384 -3.022
142 HB2 LEU 17 HB2 LEU 17 34.159 12.000 -1.227
143 HB3 LEU 17 HB1 LEU 17 32.903 12.178 -2.467
144 HG LEU 17 HG LEU 17 35.699 11.041 -2.970
145 HD11 LEU 17 HD11 LEU 17 34.401 9.553 -1.518
146 HD12 LEU 17 HD12 LEU 17 34.484 8.865 -3.157
147 HD13 LEU 17 HD13 LEU 17 32.997 9.674 -2.606
148 HD21 LEU 17 HD21 LEU 17 34.738 12.019 -4.989
149 HD22 LEU 17 HD22 LEU 17 33.174 11.229 -4.675
150 HD23 LEU 17 HD23 LEU 17 34.597 10.251 -5.101
151 H ASP 18 HN ASP 18 34.883 15.889 -3.617
152 HA ASP 18 HA ASP 18 33.817 17.185 -5.213
153 HB2 ASP 18 HB2 ASP 18 34.803 15.532 -6.745
154 HB3 ASP 18 HB1 ASP 18 33.381 14.480 -6.544
155 H HIS 19 HN HIS 19 31.748 14.334 -5.750
156 HA HIS 19 HA HIS 19 29.568 15.378 -4.119
157 HB2 HIS 19 HB2 HIS 19 29.486 16.927 -6.084
158 HB3 HIS 19 HB1 HIS 19 29.249 15.517 -7.144
159 HD1 HIS 19 HD1 HIS 19 27.692 15.826 -3.687
160 HD2 HIS 19 HD2 HIS 19 26.537 16.101 -7.722
161 HE1 HIS 19 HE1 HIS 19 25.138 15.884 -3.745
162 H LEU 20 HN LEU 20 30.901 12.944 -4.139
163 HA LEU 20 HA LEU 20 28.655 11.143 -4.534
164 HB2 LEU 20 HB2 LEU 20 29.314 11.168 -6.854
165 HB3 LEU 20 HB1 LEU 20 31.031 10.990 -6.430
166 HG LEU 20 HG LEU 20 30.683 8.719 -5.654
167 HD11 LEU 20 HD11 LEU 20 27.735 9.412 -5.949
168 HD12 LEU 20 HD12 LEU 20 28.589 8.791 -4.515
169 HD13 LEU 20 HD13 LEU 20 28.299 7.724 -5.907
170 HD21 LEU 20 HD21 LEU 20 29.122 9.190 -8.234
171 HD22 LEU 20 HD22 LEU 20 29.851 7.647 -7.724
172 HD23 LEU 20 HD23 LEU 20 30.891 9.041 -8.103
Start of MODEL 82
1 H1 TRP 1 HT1 TRP 1 39.204 2.734 14.276
2 H2 TRP 1 HT2 TRP 1 39.682 1.105 14.356
3 H3 TRP 1 HT3 TRP 1 38.045 1.505 14.131
4 HA TRP 1 HA TRP 1 39.981 2.500 12.203
5 HB2 TRP 1 HB2 TRP 1 39.718 0.339 10.928
6 HB3 TRP 1 HB1 TRP 1 40.704 0.202 12.403
7 HD1 TRP 1 HD1 TRP 1 39.496 -0.890 14.571
8 HE1 TRP 1 HE1 TRP 1 37.593 -2.652 14.768
9 HE3 TRP 1 HE3 TRP 1 37.586 -0.548 9.833
10 HZ2 TRP 1 HZ2 TRP 1 35.536 -3.743 13.075
11 HZ3 TRP 1 HZ3 TRP 1 35.653 -1.958 9.146
12 HH2 TRP 1 HH2 TRP 1 34.627 -3.553 10.761
13 H LEU 2 HN LEU 2 38.655 3.960 11.304
14 HA LEU 2 HA LEU 2 35.799 3.642 11.138
15 HB2 LEU 2 HB2 LEU 2 37.816 5.469 9.798
16 HB3 LEU 2 HB1 LEU 2 36.094 5.530 9.358
17 HG LEU 2 HG LEU 2 35.465 6.036 11.658
18 HD11 LEU 2 HD11 LEU 2 38.417 5.537 12.210
19 HD12 LEU 2 HD12 LEU 2 37.004 4.765 12.970
20 HD13 LEU 2 HD13 LEU 2 37.390 6.463 13.331
21 HD21 LEU 2 HD21 LEU 2 36.543 8.234 11.895
22 HD22 LEU 2 HD22 LEU 2 36.223 7.902 10.175
23 HD23 LEU 2 HD23 LEU 2 37.870 7.720 10.825
24 H ARG 3 HN ARG 3 37.644 4.272 8.207
25 HA ARG 3 HA ARG 3 36.815 1.671 7.007
26 HB2 ARG 3 HB2 ARG 3 34.959 3.413 6.666
27 HB3 ARG 3 HB1 ARG 3 36.122 4.315 5.667
28 HG2 ARG 3 HG2 ARG 3 36.365 2.408 4.151
29 HG3 ARG 3 HG1 ARG 3 35.323 1.409 5.191
30 HD2 ARG 3 HD2 ARG 3 33.479 3.112 4.835
31 HD3 ARG 3 HD1 ARG 3 34.524 3.895 3.625
32 HE ARG 3 HE ARG 3 32.994 1.479 3.212
33 HH11 ARG 3 HH11 ARG 3 34.537 3.643 1.421
34 HH12 ARG 3 HH12 ARG 3 35.437 2.550 0.423
35 HH21 ARG 3 HH21 ARG 3 34.785 -0.216 2.409
36 HH22 ARG 3 HH22 ARG 3 35.577 0.364 0.983
37 H ARG 4 HN ARG 4 38.889 4.291 7.454
38 HA ARG 4 HA ARG 4 40.916 3.106 5.734
39 HB2 ARG 4 HB2 ARG 4 39.397 4.542 4.179
40 HB3 ARG 4 HB1 ARG 4 40.102 5.947 5.008
41 HG2 ARG 4 HG2 ARG 4 42.355 5.278 4.329
42 HG3 ARG 4 HG1 ARG 4 41.735 3.763 3.631
43 HD2 ARG 4 HD2 ARG 4 40.486 4.975 1.943
44 HD3 ARG 4 HD1 ARG 4 40.866 6.533 2.713
45 HE ARG 4 HE ARG 4 42.980 6.461 1.657
46 HH11 ARG 4 HH11 ARG 4 41.641 4.652 -0.392
47 HH12 ARG 4 HH12 ARG 4 42.766 3.338 -0.469
48 HH21 ARG 4 HH21 ARG 4 44.385 4.205 2.474
49 HH22 ARG 4 HH22 ARG 4 44.320 3.084 1.154
50 H ILE 5 HN ILE 5 39.902 4.575 8.434
51 HA ILE 5 HA ILE 5 40.987 5.627 10.187
52 HB ILE 5 HB ILE 5 43.621 5.066 8.757
53 HG12 ILE 5 HG12 ILE 5 41.953 3.194 10.504
54 HG13 ILE 5 HG11 ILE 5 42.222 3.010 8.756
55 HG21 ILE 5 HG21 ILE 5 42.949 5.009 11.728
56 HG22 ILE 5 HG22 ILE 5 43.477 6.492 10.899
57 HG23 ILE 5 HG23 ILE 5 44.554 5.079 10.964
58 HD11 ILE 5 HD1 ILE 5 44.230 2.742 11.017
59 HD12 ILE 5 HD2 ILE 5 44.759 3.037 9.343
60 HD13 ILE 5 HD3 ILE 5 43.833 1.570 9.740
61 H GLY 6 HN GLY 6 40.220 7.692 9.833
62 HA2 GLY 6 HA1 GLY 6 40.528 9.974 9.553
63 HA3 GLY 6 HA2 GLY 6 42.237 9.664 9.193
64 H LYS 7 HN LYS 7 38.974 9.276 7.750
65 HA LYS 7 HA LYS 7 39.930 9.146 5.045
66 HB2 LYS 7 HB2 LYS 7 37.586 9.629 4.430
67 HB3 LYS 7 HB1 LYS 7 37.681 8.392 5.707
68 HG2 LYS 7 HG2 LYS 7 37.400 10.328 7.390
69 HG3 LYS 7 HG1 LYS 7 36.947 11.332 5.992
70 HD2 LYS 7 HD2 LYS 7 35.586 8.721 6.793
71 HD3 LYS 7 HD1 LYS 7 34.956 10.349 7.133
72 HE2 LYS 7 HE2 LYS 7 33.820 9.740 5.152
73 HE3 LYS 7 HE1 LYS 7 35.172 10.722 4.542
74 HZ1 LYS 7 HZ1 LYS 7 36.106 8.950 3.572
75 HZ2 LYS 7 HZ2 LYS 7 34.577 8.222 3.722
76 HZ3 LYS 7 HZ3 LYS 7 35.785 7.915 4.878
77 H GLY 8 HN GLY 8 38.602 10.969 3.550
78 HA2 GLY 8 HA1 GLY 8 38.575 13.191 2.861
79 HA3 GLY 8 HA2 GLY 8 39.053 13.689 4.495
80 H VAL 9 HN VAL 9 40.032 13.193 1.255
81 HA VAL 9 HA VAL 9 42.903 12.982 1.804
82 HB VAL 9 HB VAL 9 41.408 13.681 -0.765
83 HG11 VAL 9 HG11 VAL 9 43.670 14.490 -0.956
84 HG12 VAL 9 HG12 VAL 9 43.629 12.919 -1.791
85 HG13 VAL 9 HG13 VAL 9 44.324 13.040 -0.157
86 HG21 VAL 9 HG21 VAL 9 42.713 11.070 0.119
87 HG22 VAL 9 HG22 VAL 9 41.744 11.346 -1.349
88 HG23 VAL 9 HG23 VAL 9 40.968 11.402 0.252
89 H LYS 10 HN LYS 10 41.420 15.437 -0.316
90 HA LYS 10 HA LYS 10 42.087 17.679 1.382
91 HB2 LYS 10 HB2 LYS 10 44.395 16.896 0.744
92 HB3 LYS 10 HB1 LYS 10 43.975 17.209 -0.957
93 HG2 LYS 10 HG2 LYS 10 43.523 19.580 -0.424
94 HG3 LYS 10 HG1 LYS 10 43.910 19.275 1.286
95 HD2 LYS 10 HD2 LYS 10 46.201 18.478 0.530
96 HD3 LYS 10 HD1 LYS 10 45.789 19.063 -1.101
97 HE2 LYS 10 HE2 LYS 10 45.849 20.748 1.441
98 HE3 LYS 10 HE1 LYS 10 47.055 20.783 0.133
99 HZ1 LYS 10 HZ1 LYS 10 45.711 22.471 -0.535
100 HZ2 LYS 10 HZ2 LYS 10 44.315 21.822 0.182
101 HZ3 LYS 10 HZ3 LYS 10 44.886 21.195 -1.290
102 H ILE 11 HN ILE 11 41.272 16.253 -1.704
103 HA ILE 11 HA ILE 11 39.899 18.826 -2.496
104 HB ILE 11 HB ILE 11 41.017 16.767 -4.444
105 HG12 ILE 11 HG12 ILE 11 42.278 19.346 -3.404
106 HG13 ILE 11 HG11 ILE 11 42.900 17.696 -3.171
107 HG21 ILE 11 HG21 ILE 11 39.139 18.413 -5.090
108 HG22 ILE 11 HG22 ILE 11 40.600 18.449 -6.102
109 HG23 ILE 11 HG23 ILE 11 40.339 19.707 -4.869
110 HD11 ILE 11 HD1 ILE 11 44.175 18.539 -4.987
111 HD12 ILE 11 HD2 ILE 11 42.762 19.324 -5.732
112 HD13 ILE 11 HD3 ILE 11 42.923 17.550 -5.773
113 H ILE 12 HN ILE 12 39.998 15.276 -3.068
114 HA ILE 12 HA ILE 12 37.202 15.239 -3.916
115 HB ILE 12 HB ILE 12 39.039 12.990 -3.025
116 HG12 ILE 12 HG12 ILE 12 40.104 14.159 -4.853
117 HG13 ILE 12 HG11 ILE 12 39.431 12.652 -5.506
118 HG21 ILE 12 HG21 ILE 12 36.937 11.967 -3.072
119 HG22 ILE 12 HG22 ILE 12 37.404 11.750 -4.771
120 HG23 ILE 12 HG23 ILE 12 36.295 13.064 -4.313
121 HD11 ILE 12 HD1 ILE 12 38.785 14.258 -7.112
122 HD12 ILE 12 HD2 ILE 12 38.454 15.500 -5.885
123 HD13 ILE 12 HD3 ILE 12 37.334 14.135 -6.094
124 H GLY 13 HN GLY 13 38.182 12.789 -1.598
125 HA2 GLY 13 HA1 GLY 13 35.877 13.042 0.018
126 HA3 GLY 13 HA2 GLY 13 37.422 12.339 0.547
127 H GLY 14 HN GLY 14 38.429 15.060 -0.520
128 HA2 GLY 14 HA1 GLY 14 38.567 16.377 2.101
129 HA3 GLY 14 HA2 GLY 14 39.348 16.899 0.591
130 H ALA 15 HN ALA 15 37.234 17.114 -1.193
131 HA ALA 15 HA ALA 15 35.817 19.478 -0.003
132 HB1 ALA 15 HB1 ALA 15 36.844 19.571 -2.314
133 HB2 ALA 15 HB2 ALA 15 35.114 19.977 -2.248
134 HB3 ALA 15 HB3 ALA 15 35.626 18.377 -2.832
135 H ALA 16 HN ALA 16 35.383 16.757 0.901
136 HA ALA 16 HA ALA 16 33.556 15.559 1.642
137 HB1 ALA 16 HB1 ALA 16 31.393 16.452 1.569
138 HB2 ALA 16 HB2 ALA 16 31.641 17.213 -0.019
139 HB3 ALA 16 HB3 ALA 16 32.401 17.910 1.431
140 H LEU 17 HN LEU 17 35.140 14.723 -0.516
141 HA LEU 17 HA LEU 17 35.060 13.118 -2.199
142 HB2 LEU 17 HB2 LEU 17 33.313 12.150 -0.497
143 HB3 LEU 17 HB1 LEU 17 32.101 12.698 -1.673
144 HG LEU 17 HG LEU 17 33.681 11.404 -3.423
145 HD11 LEU 17 HD11 LEU 17 34.761 9.443 -2.471
146 HD12 LEU 17 HD12 LEU 17 34.178 9.854 -0.841
147 HD13 LEU 17 HD13 LEU 17 35.398 10.877 -1.634
148 HD21 LEU 17 HD21 LEU 17 31.317 10.839 -2.936
149 HD22 LEU 17 HD22 LEU 17 31.823 9.966 -1.470
150 HD23 LEU 17 HD23 LEU 17 32.307 9.367 -3.076
151 H ASP 18 HN ASP 18 34.978 15.632 -3.086
152 HA ASP 18 HA ASP 18 34.530 16.812 -5.019
153 HB2 ASP 18 HB2 ASP 18 34.477 14.397 -6.006
154 HB3 ASP 18 HB1 ASP 18 32.710 14.591 -6.013
155 H HIS 19 HN HIS 19 31.466 14.971 -4.601
156 HA HIS 19 HA HIS 19 30.103 17.341 -3.529
157 HB2 HIS 19 HB2 HIS 19 28.426 17.383 -5.429
158 HB3 HIS 19 HB1 HIS 19 30.042 18.003 -5.844
159 HD1 HIS 19 HD1 HIS 19 31.453 16.702 -7.543
160 HD2 HIS 19 HD2 HIS 19 27.893 14.728 -6.490
161 HE1 HIS 19 HE1 HIS 19 31.145 14.763 -9.179
162 H LEU 20 HN LEU 20 30.676 14.332 -3.164
163 HA LEU 20 HA LEU 20 29.521 12.474 -2.408
164 HB2 LEU 20 HB2 LEU 20 28.897 13.935 -0.592
165 HB3 LEU 20 HB1 LEU 20 27.634 14.710 -1.570
166 HG LEU 20 HG LEU 20 26.288 12.692 -1.571
167 HD11 LEU 20 HD11 LEU 20 27.171 10.680 -0.182
168 HD12 LEU 20 HD12 LEU 20 28.778 11.424 -0.362
169 HD13 LEU 20 HD13 LEU 20 27.863 10.918 -1.803
170 HD21 LEU 20 HD21 LEU 20 25.794 12.498 0.797
171 HD22 LEU 20 HD22 LEU 20 26.298 14.176 0.484
172 HD23 LEU 20 HD23 LEU 20 27.436 13.029 1.233
Start of MODEL 83
1 H1 TRP 1 HT1 TRP 1 46.047 12.942 16.467
2 H2 TRP 1 HT2 TRP 1 46.641 12.744 14.888
3 H3 TRP 1 HT3 TRP 1 47.005 11.597 16.087
4 HA TRP 1 HA TRP 1 45.153 11.196 14.327
5 HB2 TRP 1 HB2 TRP 1 43.985 9.798 16.128
6 HB3 TRP 1 HB1 TRP 1 45.730 9.519 15.927
7 HD1 TRP 1 HD1 TRP 1 43.176 11.025 18.322
8 HE1 TRP 1 HE1 TRP 1 44.300 11.511 20.615
9 HE3 TRP 1 HE3 TRP 1 48.045 10.080 17.052
10 HZ2 TRP 1 HZ2 TRP 1 46.959 11.481 21.719
11 HZ3 TRP 1 HZ3 TRP 1 49.858 10.313 18.742
12 HH2 TRP 1 HH2 TRP 1 49.321 11.012 21.072
13 H LEU 2 HN LEU 2 43.526 12.355 13.542
14 HA LEU 2 HA LEU 2 42.108 14.310 15.205
15 HB2 LEU 2 HB2 LEU 2 41.862 13.347 12.335
16 HB3 LEU 2 HB1 LEU 2 40.667 14.458 13.044
17 HG LEU 2 HG LEU 2 42.461 16.068 13.584
18 HD11 LEU 2 HD11 LEU 2 44.754 15.577 12.463
19 HD12 LEU 2 HD12 LEU 2 44.224 13.877 12.423
20 HD13 LEU 2 HD13 LEU 2 44.386 14.726 13.980
21 HD21 LEU 2 HD21 LEU 2 41.311 16.118 11.357
22 HD22 LEU 2 HD22 LEU 2 42.616 15.106 10.691
23 HD23 LEU 2 HD23 LEU 2 42.974 16.746 11.281
24 H ARG 3 HN ARG 3 40.711 11.828 13.063
25 HA ARG 3 HA ARG 3 39.131 10.683 15.307
26 HB2 ARG 3 HB2 ARG 3 37.852 12.684 14.303
27 HB3 ARG 3 HB1 ARG 3 37.747 11.733 12.806
28 HG2 ARG 3 HG2 ARG 3 35.741 11.104 13.836
29 HG3 ARG 3 HG1 ARG 3 36.817 9.828 14.445
30 HD2 ARG 3 HD2 ARG 3 35.671 10.604 16.375
31 HD3 ARG 3 HD1 ARG 3 37.243 11.429 16.458
32 HE ARG 3 HE ARG 3 35.364 13.066 15.022
33 HH11 ARG 3 HH11 ARG 3 33.486 12.590 17.116
34 HH12 ARG 3 HH12 ARG 3 33.987 13.629 18.408
35 HH21 ARG 3 HH21 ARG 3 37.178 14.108 17.139
36 HH22 ARG 3 HH22 ARG 3 36.078 14.487 18.422
37 H ARG 4 HN ARG 4 40.496 10.711 12.138
38 HA ARG 4 HA ARG 4 40.265 7.749 11.994
39 HB2 ARG 4 HB2 ARG 4 39.233 9.656 9.854
40 HB3 ARG 4 HB1 ARG 4 39.597 7.940 9.553
41 HG2 ARG 4 HG2 ARG 4 38.004 7.337 11.413
42 HG3 ARG 4 HG1 ARG 4 37.561 9.058 11.528
43 HD2 ARG 4 HD2 ARG 4 36.972 8.980 9.062
44 HD3 ARG 4 HD1 ARG 4 37.206 7.218 9.126
45 HE ARG 4 HE ARG 4 34.924 8.687 10.208
46 HH11 ARG 4 HH11 ARG 4 34.978 7.545 12.617
47 HH12 ARG 4 HH12 ARG 4 34.627 5.858 12.445
48 HH21 ARG 4 HH21 ARG 4 35.305 5.793 9.044
49 HH22 ARG 4 HH22 ARG 4 34.811 4.865 10.421
50 H ILE 5 HN ILE 5 42.100 10.373 12.122
51 HA ILE 5 HA ILE 5 44.263 10.860 11.465
52 HB ILE 5 HB ILE 5 44.454 8.022 10.373
53 HG12 ILE 5 HG12 ILE 5 44.693 9.024 13.248
54 HG13 ILE 5 HG11 ILE 5 43.466 7.901 12.618
55 HG21 ILE 5 HG21 ILE 5 46.314 9.772 10.028
56 HG22 ILE 5 HG22 ILE 5 46.798 8.256 10.821
57 HG23 ILE 5 HG23 ILE 5 46.542 9.727 11.792
58 HD11 ILE 5 HD1 ILE 5 45.482 6.410 11.908
59 HD12 ILE 5 HD2 ILE 5 45.075 6.484 13.639
60 HD13 ILE 5 HD3 ILE 5 46.441 7.431 13.007
61 H GLY 6 HN GLY 6 43.802 12.373 9.903
62 HA2 GLY 6 HA1 GLY 6 44.098 13.219 7.750
63 HA3 GLY 6 HA2 GLY 6 44.477 11.585 7.169
64 H LYS 7 HN LYS 7 41.627 13.127 8.720
65 HA LYS 7 HA LYS 7 39.721 11.578 7.272
66 HB2 LYS 7 HB2 LYS 7 39.350 12.977 9.374
67 HB3 LYS 7 HB1 LYS 7 39.278 14.402 8.310
68 HG2 LYS 7 HG2 LYS 7 37.478 13.138 6.975
69 HG3 LYS 7 HG1 LYS 7 37.433 11.979 8.325
70 HD2 LYS 7 HD2 LYS 7 36.927 14.982 8.524
71 HD3 LYS 7 HD1 LYS 7 35.691 13.706 8.610
72 HE2 LYS 7 HE2 LYS 7 37.108 12.756 10.588
73 HE3 LYS 7 HE1 LYS 7 37.882 14.359 10.607
74 HZ1 LYS 7 HZ1 LYS 7 35.499 15.239 10.629
75 HZ2 LYS 7 HZ2 LYS 7 36.101 14.559 12.064
76 HZ3 LYS 7 HZ3 LYS 7 35.043 13.669 11.077
77 H GLY 8 HN GLY 8 39.133 11.590 5.216
78 HA2 GLY 8 HA1 GLY 8 38.790 12.323 3.052
79 HA3 GLY 8 HA2 GLY 8 38.608 13.955 3.723
80 H VAL 9 HN VAL 9 40.012 12.671 1.289
81 HA VAL 9 HA VAL 9 42.819 12.996 1.576
82 HB VAL 9 HB VAL 9 42.629 13.616 -1.000
83 HG11 VAL 9 HG11 VAL 9 41.685 10.985 0.217
84 HG12 VAL 9 HG12 VAL 9 43.338 11.417 -0.284
85 HG13 VAL 9 HG13 VAL 9 42.066 11.195 -1.509
86 HG21 VAL 9 HG21 VAL 9 40.509 13.168 -2.026
87 HG22 VAL 9 HG22 VAL 9 40.145 14.243 -0.656
88 HG23 VAL 9 HG23 VAL 9 39.832 12.498 -0.522
89 H LYS 10 HN LYS 10 41.627 15.228 -0.785
90 HA LYS 10 HA LYS 10 41.877 17.595 0.953
91 HB2 LYS 10 HB2 LYS 10 44.258 16.866 0.440
92 HB3 LYS 10 HB1 LYS 10 43.909 17.196 -1.273
93 HG2 LYS 10 HG2 LYS 10 43.312 19.538 -0.693
94 HG3 LYS 10 HG1 LYS 10 43.696 19.204 1.014
95 HD2 LYS 10 HD2 LYS 10 46.017 18.745 0.469
96 HD3 LYS 10 HD1 LYS 10 45.673 18.844 -1.275
97 HE2 LYS 10 HE2 LYS 10 45.321 21.140 0.702
98 HE3 LYS 10 HE1 LYS 10 46.714 20.940 -0.389
99 HZ1 LYS 10 HZ1 LYS 10 43.980 21.750 -0.983
100 HZ2 LYS 10 HZ2 LYS 10 44.698 20.699 -2.108
101 HZ3 LYS 10 HZ3 LYS 10 45.433 22.185 -1.741
102 H ILE 11 HN ILE 11 41.247 15.994 -2.074
103 HA ILE 11 HA ILE 11 40.051 18.532 -3.197
104 HB ILE 11 HB ILE 11 40.761 16.019 -4.752
105 HG12 ILE 11 HG12 ILE 11 42.470 18.497 -4.229
106 HG13 ILE 11 HG11 ILE 11 42.817 16.844 -3.669
107 HG21 ILE 11 HG21 ILE 11 39.155 17.827 -5.657
108 HG22 ILE 11 HG22 ILE 11 40.554 17.429 -6.678
109 HG23 ILE 11 HG23 ILE 11 40.565 18.911 -5.693
110 HD11 ILE 11 HD1 ILE 11 42.722 16.179 -6.184
111 HD12 ILE 11 HD2 ILE 11 44.147 17.084 -5.621
112 HD13 ILE 11 HD3 ILE 11 42.856 17.926 -6.505
113 H ILE 12 HN ILE 12 39.610 14.968 -3.024
114 HA ILE 12 HA ILE 12 36.745 15.293 -3.758
115 HB ILE 12 HB ILE 12 38.393 12.813 -3.138
116 HG12 ILE 12 HG12 ILE 12 37.503 13.751 -5.905
117 HG13 ILE 12 HG11 ILE 12 39.038 14.300 -5.203
118 HG21 ILE 12 HG21 ILE 12 35.542 13.264 -4.089
119 HG22 ILE 12 HG22 ILE 12 36.156 12.103 -2.889
120 HG23 ILE 12 HG23 ILE 12 36.407 11.804 -4.615
121 HD11 ILE 12 HD1 ILE 12 38.224 11.493 -6.021
122 HD12 ILE 12 HD2 ILE 12 39.518 11.741 -4.826
123 HD13 ILE 12 HD3 ILE 12 39.676 12.412 -6.464
124 H GLY 13 HN GLY 13 37.644 12.676 -1.612
125 HA2 GLY 13 HA1 GLY 13 35.613 13.214 0.284
126 HA3 GLY 13 HA2 GLY 13 37.083 12.263 0.602
127 H GLY 14 HN GLY 14 38.371 14.835 -0.522
128 HA2 GLY 14 HA1 GLY 14 38.984 16.032 2.094
129 HA3 GLY 14 HA2 GLY 14 39.695 16.454 0.522
130 H ALA 15 HN ALA 15 37.533 17.054 -1.073
131 HA ALA 15 HA ALA 15 36.623 19.589 0.243
132 HB1 ALA 15 HB1 ALA 15 35.901 18.569 -2.526
133 HB2 ALA 15 HB2 ALA 15 37.413 19.446 -2.183
134 HB3 ALA 15 HB3 ALA 15 35.843 20.237 -1.914
135 H ALA 16 HN ALA 16 35.834 16.945 1.208
136 HA ALA 16 HA ALA 16 33.920 16.057 2.143
137 HB1 ALA 16 HB1 ALA 16 33.173 18.576 2.066
138 HB2 ALA 16 HB2 ALA 16 31.950 17.307 2.314
139 HB3 ALA 16 HB3 ALA 16 32.150 18.049 0.710
140 H LEU 17 HN LEU 17 35.088 15.002 -0.164
141 HA LEU 17 HA LEU 17 34.557 13.453 -1.810
142 HB2 LEU 17 HB2 LEU 17 32.767 12.862 0.041
143 HB3 LEU 17 HB1 LEU 17 31.617 13.598 -1.094
144 HG LEU 17 HG LEU 17 32.809 12.002 -2.878
145 HD11 LEU 17 HD11 LEU 17 33.487 9.834 -1.829
146 HD12 LEU 17 HD12 LEU 17 33.356 10.589 -0.224
147 HD13 LEU 17 HD13 LEU 17 34.580 11.163 -1.380
148 HD21 LEU 17 HD21 LEU 17 31.177 10.175 -2.252
149 HD22 LEU 17 HD22 LEU 17 30.452 11.800 -2.310
150 HD23 LEU 17 HD23 LEU 17 30.845 11.056 -0.742
151 H ASP 18 HN ASP 18 33.521 16.573 -1.733
152 HA ASP 18 HA ASP 18 32.698 18.045 -3.320
153 HB2 ASP 18 HB2 ASP 18 34.762 17.349 -4.452
154 HB3 ASP 18 HB1 ASP 18 33.909 15.979 -5.201
155 H HIS 19 HN HIS 19 32.281 15.246 -5.467
156 HA HIS 19 HA HIS 19 29.737 15.945 -6.380
157 HB2 HIS 19 HB2 HIS 19 30.724 13.101 -5.942
158 HB3 HIS 19 HB1 HIS 19 29.503 13.643 -7.118
159 HD1 HIS 19 HD1 HIS 19 30.363 15.287 -9.063
160 HD2 HIS 19 HD2 HIS 19 33.381 13.460 -6.776
161 HE1 HIS 19 HE1 HIS 19 32.547 15.507 -10.369
162 H LEU 20 HN LEU 20 30.613 14.764 -3.262
163 HA LEU 20 HA LEU 20 29.334 14.151 -1.429
164 HB2 LEU 20 HB2 LEU 20 28.389 16.456 -1.999
165 HB3 LEU 20 HB1 LEU 20 27.066 15.609 -2.830
166 HG LEU 20 HG LEU 20 26.797 14.297 -0.547
167 HD11 LEU 20 HD11 LEU 20 28.780 15.082 0.622
168 HD12 LEU 20 HD12 LEU 20 27.364 15.802 1.417
169 HD13 LEU 20 HD13 LEU 20 28.354 16.782 0.312
170 HD21 LEU 20 HD21 LEU 20 25.282 16.076 0.300
171 HD22 LEU 20 HD22 LEU 20 25.123 15.864 -1.460
172 HD23 LEU 20 HD23 LEU 20 26.042 17.243 -0.808
Start of MODEL 84
1 H1 TRP 1 HT1 TRP 1 31.932 -0.104 5.960
2 H2 TRP 1 HT2 TRP 1 31.226 -0.036 7.504
3 H3 TRP 1 HT3 TRP 1 32.229 -1.341 7.080
4 HA TRP 1 HA TRP 1 32.959 1.456 7.603
5 HB2 TRP 1 HB2 TRP 1 34.032 -1.184 8.673
6 HB3 TRP 1 HB1 TRP 1 34.470 0.450 9.226
7 HD1 TRP 1 HD1 TRP 1 31.590 -2.073 9.270
8 HE1 TRP 1 HE1 TRP 1 29.876 -1.404 11.107
9 HE3 TRP 1 HE3 TRP 1 33.565 2.456 10.608
10 HZ2 TRP 1 HZ2 TRP 1 29.448 0.809 12.900
11 HZ3 TRP 1 HZ3 TRP 1 32.488 3.829 12.384
12 HH2 TRP 1 HH2 TRP 1 30.434 3.011 13.530
13 H LEU 2 HN LEU 2 34.343 2.343 6.228
14 HA LEU 2 HA LEU 2 35.626 0.918 4.132
15 HB2 LEU 2 HB2 LEU 2 35.284 3.302 3.960
16 HB3 LEU 2 HB1 LEU 2 36.239 3.598 5.427
17 HG LEU 2 HG LEU 2 38.290 2.923 4.322
18 HD11 LEU 2 HD11 LEU 2 38.134 2.313 1.800
19 HD12 LEU 2 HD12 LEU 2 36.412 1.988 2.117
20 HD13 LEU 2 HD13 LEU 2 37.668 1.060 2.973
21 HD21 LEU 2 HD21 LEU 2 38.422 4.611 2.553
22 HD22 LEU 2 HD22 LEU 2 37.411 5.228 3.882
23 HD23 LEU 2 HD23 LEU 2 36.649 4.622 2.391
24 H ARG 3 HN ARG 3 37.494 2.714 6.532
25 HA ARG 3 HA ARG 3 38.876 0.466 7.669
26 HB2 ARG 3 HB2 ARG 3 39.780 0.431 5.269
27 HB3 ARG 3 HB1 ARG 3 40.526 2.007 5.625
28 HG2 ARG 3 HG2 ARG 3 41.718 0.990 7.560
29 HG3 ARG 3 HG1 ARG 3 41.001 -0.588 7.158
30 HD2 ARG 3 HD2 ARG 3 42.056 -0.419 4.875
31 HD3 ARG 3 HD1 ARG 3 42.881 1.061 5.416
32 HE ARG 3 HE ARG 3 44.365 -0.296 6.662
33 HH11 ARG 3 HH11 ARG 3 43.017 -2.369 4.607
34 HH12 ARG 3 HH12 ARG 3 42.946 -3.746 5.655
35 HH21 ARG 3 HH21 ARG 3 43.641 -1.928 8.526
36 HH22 ARG 3 HH22 ARG 3 43.298 -3.496 7.874
37 H ARG 4 HN ARG 4 38.320 3.749 6.940
38 HA ARG 4 HA ARG 4 39.457 4.584 9.548
39 HB2 ARG 4 HB2 ARG 4 40.269 5.889 6.912
40 HB3 ARG 4 HB1 ARG 4 40.672 6.486 8.541
41 HG2 ARG 4 HG2 ARG 4 41.768 4.206 8.966
42 HG3 ARG 4 HG1 ARG 4 41.587 3.898 7.222
43 HD2 ARG 4 HD2 ARG 4 43.804 4.807 7.571
44 HD3 ARG 4 HD1 ARG 4 42.822 6.075 6.800
45 HE ARG 4 HE ARG 4 42.617 6.408 9.620
46 HH11 ARG 4 HH11 ARG 4 43.230 8.851 8.625
47 HH12 ARG 4 HH12 ARG 4 44.950 9.045 8.708
48 HH21 ARG 4 HH21 ARG 4 45.580 5.653 9.065
49 HH22 ARG 4 HH22 ARG 4 46.280 7.235 8.957
50 H ILE 5 HN ILE 5 36.967 4.360 7.503
51 HA ILE 5 HA ILE 5 34.959 5.493 7.305
52 HB ILE 5 HB ILE 5 35.841 7.276 9.615
53 HG12 ILE 5 HG12 ILE 5 34.592 4.489 9.704
54 HG13 ILE 5 HG11 ILE 5 36.251 4.896 10.200
55 HG21 ILE 5 HG21 ILE 5 33.695 7.724 8.257
56 HG22 ILE 5 HG22 ILE 5 33.493 7.533 10.013
57 HG23 ILE 5 HG23 ILE 5 33.081 6.191 8.919
58 HD11 ILE 5 HD1 ILE 5 33.634 5.713 11.506
59 HD12 ILE 5 HD2 ILE 5 35.142 6.608 11.816
60 HD13 ILE 5 HD3 ILE 5 35.027 4.883 12.234
61 H GLY 6 HN GLY 6 35.909 6.263 5.267
62 HA2 GLY 6 HA1 GLY 6 36.305 7.960 3.750
63 HA3 GLY 6 HA2 GLY 6 35.408 9.012 4.862
64 H LYS 7 HN LYS 7 38.606 7.708 4.037
65 HA LYS 7 HA LYS 7 40.173 9.105 5.920
66 HB2 LYS 7 HB2 LYS 7 41.987 8.983 4.220
67 HB3 LYS 7 HB1 LYS 7 41.112 7.441 4.383
68 HG2 LYS 7 HG2 LYS 7 39.675 8.124 2.422
69 HG3 LYS 7 HG1 LYS 7 40.727 9.545 2.211
70 HD2 LYS 7 HD2 LYS 7 42.672 8.119 1.843
71 HD3 LYS 7 HD1 LYS 7 41.719 6.661 2.213
72 HE2 LYS 7 HE2 LYS 7 41.860 6.834 -0.196
73 HE3 LYS 7 HE1 LYS 7 40.201 7.275 0.269
74 HZ1 LYS 7 HZ1 LYS 7 42.237 9.389 0.083
75 HZ2 LYS 7 HZ2 LYS 7 40.561 9.473 -0.183
76 HZ3 LYS 7 HZ3 LYS 7 41.576 8.771 -1.351
77 H GLY 8 HN GLY 8 38.547 10.228 3.005
78 HA2 GLY 8 HA1 GLY 8 38.378 12.337 2.070
79 HA3 GLY 8 HA2 GLY 8 38.399 12.907 3.749
80 H VAL 9 HN VAL 9 40.107 12.649 0.760
81 HA VAL 9 HA VAL 9 42.754 13.231 1.758
82 HB VAL 9 HB VAL 9 42.979 14.187 -0.728
83 HG11 VAL 9 HG11 VAL 9 43.186 11.860 -1.578
84 HG12 VAL 9 HG12 VAL 9 42.334 11.263 -0.135
85 HG13 VAL 9 HG13 VAL 9 43.927 12.040 0.031
86 HG21 VAL 9 HG21 VAL 9 40.389 14.269 -0.882
87 HG22 VAL 9 HG22 VAL 9 40.459 12.498 -1.026
88 HG23 VAL 9 HG23 VAL 9 41.256 13.521 -2.244
89 H LYS 10 HN LYS 10 41.615 15.544 -0.572
90 HA LYS 10 HA LYS 10 41.044 17.651 1.379
91 HB2 LYS 10 HB2 LYS 10 43.611 17.322 1.380
92 HB3 LYS 10 HB1 LYS 10 43.578 17.994 -0.266
93 HG2 LYS 10 HG2 LYS 10 42.257 19.973 0.740
94 HG3 LYS 10 HG1 LYS 10 42.728 19.334 2.332
95 HD2 LYS 10 HD2 LYS 10 45.106 19.495 1.720
96 HD3 LYS 10 HD1 LYS 10 44.664 20.071 0.094
97 HE2 LYS 10 HE2 LYS 10 43.542 22.045 1.107
98 HE3 LYS 10 HE1 LYS 10 44.016 21.477 2.725
99 HZ1 LYS 10 HZ1 LYS 10 46.370 21.489 1.794
100 HZ2 LYS 10 HZ2 LYS 10 45.659 22.999 2.115
101 HZ3 LYS 10 HZ3 LYS 10 45.755 22.423 0.520
102 H ILE 11 HN ILE 11 41.343 16.346 -1.796
103 HA ILE 11 HA ILE 11 40.048 18.807 -2.984
104 HB ILE 11 HB ILE 11 41.639 16.654 -4.418
105 HG12 ILE 11 HG12 ILE 11 42.972 18.169 -2.761
106 HG13 ILE 11 HG11 ILE 11 43.557 18.054 -4.429
107 HG21 ILE 11 HG21 ILE 11 41.659 18.450 -6.234
108 HG22 ILE 11 HG22 ILE 11 40.447 19.321 -5.265
109 HG23 ILE 11 HG23 ILE 11 40.080 17.701 -5.904
110 HD11 ILE 11 HD1 ILE 11 41.728 20.300 -3.474
111 HD12 ILE 11 HD2 ILE 11 42.644 20.213 -4.994
112 HD13 ILE 11 HD3 ILE 11 43.501 20.407 -3.449
113 H ILE 12 HN ILE 12 40.209 15.229 -3.076
114 HA ILE 12 HA ILE 12 37.623 15.173 -4.574
115 HB ILE 12 HB ILE 12 39.491 12.914 -3.746
116 HG12 ILE 12 HG12 ILE 12 39.257 14.390 -6.411
117 HG13 ILE 12 HG11 ILE 12 40.583 14.581 -5.244
118 HG21 ILE 12 HG21 ILE 12 37.274 13.025 -5.853
119 HG22 ILE 12 HG22 ILE 12 37.138 12.226 -4.272
120 HG23 ILE 12 HG23 ILE 12 38.285 11.612 -5.475
121 HD11 ILE 12 HD1 ILE 12 40.792 11.939 -5.486
122 HD12 ILE 12 HD2 ILE 12 41.499 13.005 -6.723
123 HD13 ILE 12 HD3 ILE 12 39.935 12.218 -7.022
124 H GLY 13 HN GLY 13 38.488 12.517 -2.447
125 HA2 GLY 13 HA1 GLY 13 35.976 12.529 -1.101
126 HA3 GLY 13 HA2 GLY 13 37.457 11.730 -0.521
127 H GLY 14 HN GLY 14 38.488 14.629 -1.104
128 HA2 GLY 14 HA1 GLY 14 38.310 15.544 1.700
129 HA3 GLY 14 HA2 GLY 14 39.308 16.230 0.400
130 H ALA 15 HN ALA 15 37.481 16.687 -1.638
131 HA ALA 15 HA ALA 15 36.005 18.992 -0.443
132 HB1 ALA 15 HB1 ALA 15 35.509 19.609 -2.714
133 HB2 ALA 15 HB2 ALA 15 35.997 18.011 -3.318
134 HB3 ALA 15 HB3 ALA 15 37.219 19.126 -2.654
135 H ALA 16 HN ALA 16 35.382 16.216 0.268
136 HA ALA 16 HA ALA 16 33.448 15.086 0.813
137 HB1 ALA 16 HB1 ALA 16 31.744 16.884 -0.924
138 HB2 ALA 16 HB2 ALA 16 32.415 17.499 0.604
139 HB3 ALA 16 HB3 ALA 16 31.342 16.080 0.612
140 H LEU 17 HN LEU 17 35.199 14.387 -1.350
141 HA LEU 17 HA LEU 17 35.190 13.020 -3.244
142 HB2 LEU 17 HB2 LEU 17 33.806 11.675 -1.501
143 HB3 LEU 17 HB1 LEU 17 32.386 12.178 -2.440
144 HG LEU 17 HG LEU 17 33.841 11.264 -4.513
145 HD11 LEU 17 HD11 LEU 17 35.299 9.430 -3.970
146 HD12 LEU 17 HD12 LEU 17 34.829 9.471 -2.253
147 HD13 LEU 17 HD13 LEU 17 35.811 10.785 -2.939
148 HD21 LEU 17 HD21 LEU 17 32.374 9.493 -2.504
149 HD22 LEU 17 HD22 LEU 17 32.789 9.009 -4.166
150 HD23 LEU 17 HD23 LEU 17 31.656 10.354 -3.887
151 H ASP 18 HN ASP 18 34.410 15.685 -3.701
152 HA ASP 18 HA ASP 18 33.375 16.993 -5.314
153 HB2 ASP 18 HB2 ASP 18 33.040 14.372 -6.824
154 HB3 ASP 18 HB1 ASP 18 33.080 16.014 -7.511
155 H HIS 19 HN HIS 19 31.763 15.791 -3.174
156 HA HIS 19 HA HIS 19 29.530 15.536 -2.600
157 HB2 HIS 19 HB2 HIS 19 29.198 17.284 -5.070
158 HB3 HIS 19 HB1 HIS 19 27.916 16.952 -3.882
159 HD1 HIS 19 HD1 HIS 19 31.004 18.979 -4.461
160 HD2 HIS 19 HD2 HIS 19 28.402 18.105 -1.275
161 HE1 HIS 19 HE1 HIS 19 31.518 20.633 -2.582
162 H LEU 20 HN LEU 20 30.028 13.224 -3.313
163 HA LEU 20 HA LEU 20 27.761 12.321 -4.908
164 HB2 LEU 20 HB2 LEU 20 29.174 12.844 -6.790
165 HB3 LEU 20 HB1 LEU 20 30.585 12.089 -6.020
166 HG LEU 20 HG LEU 20 29.627 9.875 -6.256
167 HD11 LEU 20 HD11 LEU 20 27.115 11.399 -7.054
168 HD12 LEU 20 HD12 LEU 20 27.310 10.177 -5.772
169 HD13 LEU 20 HD13 LEU 20 27.347 9.686 -7.481
170 HD21 LEU 20 HD21 LEU 20 29.090 11.444 -8.816
171 HD22 LEU 20 HD22 LEU 20 29.465 9.709 -8.693
172 HD23 LEU 20 HD23 LEU 20 30.700 10.919 -8.269
Start of MODEL 85
1 H1 TRP 1 HT1 TRP 1 41.261 27.460 8.504
2 H2 TRP 1 HT2 TRP 1 42.795 26.841 8.116
3 H3 TRP 1 HT3 TRP 1 42.562 27.699 9.564
4 HA TRP 1 HA TRP 1 42.519 25.026 9.280
5 HB2 TRP 1 HB2 TRP 1 41.046 26.598 11.423
6 HB3 TRP 1 HB1 TRP 1 41.845 25.017 11.584
7 HD1 TRP 1 HD1 TRP 1 44.598 25.083 11.064
8 HE1 TRP 1 HE1 TRP 1 46.350 26.858 11.798
9 HE3 TRP 1 HE3 TRP 1 41.435 28.997 12.005
10 HZ2 TRP 1 HZ2 TRP 1 46.345 29.603 12.672
11 HZ3 TRP 1 HZ3 TRP 1 42.330 31.185 12.788
12 HH2 TRP 1 HH2 TRP 1 44.781 31.491 13.122
13 H LEU 2 HN LEU 2 41.191 23.822 8.075
14 HA LEU 2 HA LEU 2 38.467 24.520 7.494
15 HB2 LEU 2 HB2 LEU 2 40.097 21.970 7.277
16 HB3 LEU 2 HB1 LEU 2 38.366 21.987 6.867
17 HG LEU 2 HG LEU 2 38.726 23.704 5.173
18 HD11 LEU 2 HD11 LEU 2 41.171 24.368 4.673
19 HD12 LEU 2 HD12 LEU 2 41.559 23.725 6.288
20 HD13 LEU 2 HD13 LEU 2 40.430 25.091 6.119
21 HD21 LEU 2 HD21 LEU 2 40.043 22.419 3.593
22 HD22 LEU 2 HD22 LEU 2 39.204 21.263 4.656
23 HD23 LEU 2 HD23 LEU 2 40.931 21.615 4.909
24 H ARG 3 HN ARG 3 39.165 21.393 8.938
25 HA ARG 3 HA ARG 3 37.501 22.038 11.342
26 HB2 ARG 3 HB2 ARG 3 36.026 21.110 9.468
27 HB3 ARG 3 HB1 ARG 3 36.964 19.603 9.593
28 HG2 ARG 3 HG2 ARG 3 36.340 19.372 11.957
29 HG3 ARG 3 HG1 ARG 3 35.475 20.928 11.905
30 HD2 ARG 3 HD2 ARG 3 33.901 20.039 10.248
31 HD3 ARG 3 HD1 ARG 3 34.803 18.505 10.178
32 HE ARG 3 HE ARG 3 32.884 19.254 12.226
33 HH11 ARG 3 HH11 ARG 3 34.094 16.539 11.107
34 HH12 ARG 3 HH12 ARG 3 34.652 15.859 12.599
35 HH21 ARG 3 HH21 ARG 3 34.342 18.824 14.371
36 HH22 ARG 3 HH22 ARG 3 34.794 17.153 14.446
37 H ARG 4 HN ARG 4 40.025 20.466 9.686
38 HA ARG 4 HA ARG 4 41.255 19.554 12.121
39 HB2 ARG 4 HB2 ARG 4 39.378 17.785 11.606
40 HB3 ARG 4 HB1 ARG 4 40.457 17.258 10.299
41 HG2 ARG 4 HG2 ARG 4 41.194 15.877 12.048
42 HG3 ARG 4 HG1 ARG 4 42.305 17.250 12.231
43 HD2 ARG 4 HD2 ARG 4 40.882 18.203 14.001
44 HD3 ARG 4 HD1 ARG 4 39.691 16.901 13.773
45 HE ARG 4 HE ARG 4 42.208 15.688 14.312
46 HH11 ARG 4 HH11 ARG 4 39.444 15.540 15.773
47 HH12 ARG 4 HH12 ARG 4 39.944 15.941 17.381
48 HH21 ARG 4 HH21 ARG 4 43.044 17.148 16.404
49 HH22 ARG 4 HH22 ARG 4 41.981 16.852 17.739
50 H ILE 5 HN ILE 5 41.350 20.812 9.214
51 HA ILE 5 HA ILE 5 43.011 21.127 7.632
52 HB ILE 5 HB ILE 5 44.924 19.706 9.533
53 HG12 ILE 5 HG12 ILE 5 44.018 22.624 9.559
54 HG13 ILE 5 HG11 ILE 5 43.588 21.403 10.778
55 HG21 ILE 5 HG21 ILE 5 45.400 22.077 7.680
56 HG22 ILE 5 HG22 ILE 5 45.607 20.392 7.144
57 HG23 ILE 5 HG23 ILE 5 46.610 21.034 8.464
58 HD11 ILE 5 HD1 ILE 5 46.310 22.613 10.193
59 HD12 ILE 5 HD2 ILE 5 46.155 21.066 11.062
60 HD13 ILE 5 HD3 ILE 5 45.433 22.545 11.738
61 H GLY 6 HN GLY 6 41.965 19.661 6.197
62 HA2 GLY 6 HA1 GLY 6 42.135 17.939 4.651
63 HA3 GLY 6 HA2 GLY 6 43.717 17.521 5.338
64 H LYS 7 HN LYS 7 40.200 17.278 5.950
65 HA LYS 7 HA LYS 7 40.504 15.160 7.908
66 HB2 LYS 7 HB2 LYS 7 38.052 14.886 7.617
67 HB3 LYS 7 HB1 LYS 7 38.511 16.589 7.862
68 HG2 LYS 7 HG2 LYS 7 38.516 16.872 5.348
69 HG3 LYS 7 HG1 LYS 7 37.851 15.225 5.218
70 HD2 LYS 7 HD2 LYS 7 35.902 15.884 6.579
71 HD3 LYS 7 HD1 LYS 7 36.571 17.523 6.763
72 HE2 LYS 7 HE2 LYS 7 34.822 17.315 4.943
73 HE3 LYS 7 HE1 LYS 7 36.391 17.939 4.381
74 HZ1 LYS 7 HZ1 LYS 7 35.819 15.042 4.305
75 HZ2 LYS 7 HZ2 LYS 7 36.916 15.945 3.373
76 HZ3 LYS 7 HZ3 LYS 7 35.248 16.055 3.070
77 H GLY 8 HN GLY 8 41.115 15.208 4.642
78 HA2 GLY 8 HA1 GLY 8 41.275 12.323 4.507
79 HA3 GLY 8 HA2 GLY 8 39.904 12.933 3.561
80 H VAL 9 HN VAL 9 40.394 12.975 1.482
81 HA VAL 9 HA VAL 9 43.088 13.058 0.488
82 HB VAL 9 HB VAL 9 40.497 13.763 -0.963
83 HG11 VAL 9 HG11 VAL 9 42.332 14.510 -2.304
84 HG12 VAL 9 HG12 VAL 9 41.910 12.909 -2.950
85 HG13 VAL 9 HG13 VAL 9 43.321 13.093 -1.882
86 HG21 VAL 9 HG21 VAL 9 40.588 11.379 -1.698
87 HG22 VAL 9 HG22 VAL 9 40.414 11.522 0.068
88 HG23 VAL 9 HG23 VAL 9 41.997 11.122 -0.641
89 H LYS 10 HN LYS 10 41.030 15.479 1.723
90 HA LYS 10 HA LYS 10 41.369 17.746 2.003
91 HB2 LYS 10 HB2 LYS 10 43.862 16.986 2.049
92 HB3 LYS 10 HB1 LYS 10 43.938 17.620 0.389
93 HG2 LYS 10 HG2 LYS 10 42.908 19.791 1.349
94 HG3 LYS 10 HG1 LYS 10 43.304 19.128 2.953
95 HD2 LYS 10 HD2 LYS 10 45.685 18.855 2.191
96 HD3 LYS 10 HD1 LYS 10 45.248 19.667 0.669
97 HE2 LYS 10 HE2 LYS 10 45.151 20.825 3.484
98 HE3 LYS 10 HE1 LYS 10 46.167 21.359 2.125
99 HZ1 LYS 10 HZ1 LYS 10 43.265 21.706 2.530
100 HZ2 LYS 10 HZ2 LYS 10 43.899 21.688 0.954
101 HZ3 LYS 10 HZ3 LYS 10 44.429 22.851 2.074
102 H ILE 11 HN ILE 11 41.502 16.234 -1.109
103 HA ILE 11 HA ILE 11 40.554 18.797 -2.403
104 HB ILE 11 HB ILE 11 41.925 16.484 -3.824
105 HG12 ILE 11 HG12 ILE 11 43.142 19.036 -2.669
106 HG13 ILE 11 HG11 ILE 11 43.496 17.370 -2.155
107 HG21 ILE 11 HG21 ILE 11 40.469 18.219 -5.063
108 HG22 ILE 11 HG22 ILE 11 42.137 18.029 -5.647
109 HG23 ILE 11 HG23 ILE 11 41.706 19.417 -4.620
110 HD11 ILE 11 HD1 ILE 11 45.287 17.913 -3.614
111 HD12 ILE 11 HD2 ILE 11 44.214 18.735 -4.770
112 HD13 ILE 11 HD3 ILE 11 44.184 16.960 -4.633
113 H ILE 12 HN ILE 12 40.368 15.215 -2.437
114 HA ILE 12 HA ILE 12 37.835 15.369 -4.008
115 HB ILE 12 HB ILE 12 39.439 12.981 -3.024
116 HG12 ILE 12 HG12 ILE 12 39.367 14.272 -5.795
117 HG13 ILE 12 HG11 ILE 12 40.675 14.497 -4.613
118 HG21 ILE 12 HG21 ILE 12 38.126 11.796 -4.861
119 HG22 ILE 12 HG22 ILE 12 37.149 13.271 -5.026
120 HG23 ILE 12 HG23 ILE 12 37.132 12.355 -3.505
121 HD11 ILE 12 HD1 ILE 12 40.681 11.797 -4.645
122 HD12 ILE 12 HD2 ILE 12 41.574 12.740 -5.860
123 HD13 ILE 12 HD3 ILE 12 39.982 12.061 -6.261
124 H GLY 13 HN GLY 13 38.409 12.761 -1.704
125 HA2 GLY 13 HA1 GLY 13 35.851 13.039 -0.465
126 HA3 GLY 13 HA2 GLY 13 37.244 12.161 0.210
127 H GLY 14 HN GLY 14 38.536 14.914 -0.498
128 HA2 GLY 14 HA1 GLY 14 38.362 16.010 2.241
129 HA3 GLY 14 HA2 GLY 14 39.434 16.545 0.930
130 H ALA 15 HN ALA 15 37.724 17.058 -1.170
131 HA ALA 15 HA ALA 15 36.387 19.514 -0.123
132 HB1 ALA 15 HB1 ALA 15 36.040 20.083 -2.432
133 HB2 ALA 15 HB2 ALA 15 36.422 18.428 -2.959
134 HB3 ALA 15 HB3 ALA 15 37.700 19.467 -2.281
135 H ALA 16 HN ALA 16 35.526 16.799 0.627
136 HA ALA 16 HA ALA 16 33.481 15.865 1.145
137 HB1 ALA 16 HB1 ALA 16 31.472 17.008 0.809
138 HB2 ALA 16 HB2 ALA 16 31.992 17.693 -0.749
139 HB3 ALA 16 HB3 ALA 16 32.651 18.340 0.772
140 H LEU 17 HN LEU 17 35.250 14.887 -0.862
141 HA LEU 17 HA LEU 17 35.211 13.411 -2.673
142 HB2 LEU 17 HB2 LEU 17 33.572 12.341 -0.959
143 HB3 LEU 17 HB1 LEU 17 32.284 12.924 -2.036
144 HG LEU 17 HG LEU 17 33.777 11.723 -3.929
145 HD11 LEU 17 HD11 LEU 17 34.402 10.015 -1.481
146 HD12 LEU 17 HD12 LEU 17 35.571 11.149 -2.194
147 HD13 LEU 17 HD13 LEU 17 34.968 9.775 -3.150
148 HD21 LEU 17 HD21 LEU 17 31.959 10.299 -1.935
149 HD22 LEU 17 HD22 LEU 17 32.477 9.597 -3.487
150 HD23 LEU 17 HD23 LEU 17 31.481 11.073 -3.466
151 H ASP 18 HN ASP 18 34.729 16.132 -3.277
152 HA ASP 18 HA ASP 18 33.993 17.459 -5.022
153 HB2 ASP 18 HB2 ASP 18 35.093 15.677 -6.362
154 HB3 ASP 18 HB1 ASP 18 33.548 14.799 -6.437
155 H HIS 19 HN HIS 19 31.864 14.682 -5.752
156 HA HIS 19 HA HIS 19 29.554 16.352 -6.046
157 HB2 HIS 19 HB2 HIS 19 29.856 14.071 -7.051
158 HB3 HIS 19 HB1 HIS 19 29.630 13.374 -5.429
159 HD1 HIS 19 HD1 HIS 19 27.280 12.818 -4.813
160 HD2 HIS 19 HD2 HIS 19 27.470 15.855 -7.717
161 HE1 HIS 19 HE1 HIS 19 24.879 13.370 -5.495
162 H LEU 20 HN LEU 20 30.273 13.908 -3.500
163 HA LEU 20 HA LEU 20 29.430 15.680 -1.376
164 HB2 LEU 20 HB2 LEU 20 27.190 15.323 -2.193
165 HB3 LEU 20 HB1 LEU 20 27.464 13.576 -2.359
166 HG LEU 20 HG LEU 20 27.558 13.280 0.044
167 HD11 LEU 20 HD11 LEU 20 27.619 16.323 0.094
168 HD12 LEU 20 HD12 LEU 20 28.770 15.182 0.829
169 HD13 LEU 20 HD13 LEU 20 27.144 15.373 1.522
170 HD21 LEU 20 HD21 LEU 20 25.302 13.524 -1.045
171 HD22 LEU 20 HD22 LEU 20 25.308 15.243 -0.585
172 HD23 LEU 20 HD23 LEU 20 25.306 13.985 0.674
Start of MODEL 86
1 H1 TRP 1 HT1 TRP 1 57.403 10.745 -1.329
2 H2 TRP 1 HT2 TRP 1 57.449 9.358 -0.349
3 H3 TRP 1 HT3 TRP 1 58.469 10.674 -0.014
4 HA TRP 1 HA TRP 1 56.987 11.477 1.339
5 HB2 TRP 1 HB2 TRP 1 55.278 11.525 -1.179
6 HB3 TRP 1 HB1 TRP 1 54.853 12.345 0.343
7 HD1 TRP 1 HD1 TRP 1 56.656 14.222 1.221
8 HE1 TRP 1 HE1 TRP 1 58.144 15.879 -0.124
9 HE3 TRP 1 HE3 TRP 1 56.553 11.886 -3.333
10 HZ2 TRP 1 HZ2 TRP 1 59.136 16.125 -2.816
11 HZ3 TRP 1 HZ3 TRP 1 57.778 12.848 -5.275
12 HH2 TRP 1 HH2 TRP 1 59.069 14.964 -5.021
13 H LEU 2 HN LEU 2 54.666 11.237 2.250
14 HA LEU 2 HA LEU 2 54.324 8.427 2.884
15 HB2 LEU 2 HB2 LEU 2 52.314 10.641 3.421
16 HB3 LEU 2 HB1 LEU 2 52.587 9.149 4.350
17 HG LEU 2 HG LEU 2 54.566 11.457 4.066
18 HD11 LEU 2 HD11 LEU 2 54.047 11.928 6.395
19 HD12 LEU 2 HD12 LEU 2 52.985 10.505 6.492
20 HD13 LEU 2 HD13 LEU 2 52.523 11.893 5.480
21 HD21 LEU 2 HD21 LEU 2 55.850 9.457 4.348
22 HD22 LEU 2 HD22 LEU 2 54.671 8.763 5.486
23 HD23 LEU 2 HD23 LEU 2 55.696 10.129 5.986
24 H ARG 3 HN ARG 3 53.431 10.253 0.221
25 HA ARG 3 HA ARG 3 52.168 9.672 -1.627
26 HB2 ARG 3 HB2 ARG 3 52.685 7.235 -0.786
27 HB3 ARG 3 HB1 ARG 3 51.000 7.249 -0.218
28 HG2 ARG 3 HG2 ARG 3 50.269 7.902 -2.530
29 HG3 ARG 3 HG1 ARG 3 51.957 7.735 -3.073
30 HD2 ARG 3 HD2 ARG 3 51.978 5.374 -2.450
31 HD3 ARG 3 HD1 ARG 3 50.351 5.512 -1.740
32 HE ARG 3 HE ARG 3 49.580 5.086 -3.920
33 HH11 ARG 3 HH11 ARG 3 49.300 6.832 -5.692
34 HH12 ARG 3 HH12 ARG 3 50.718 7.036 -6.663
35 HH21 ARG 3 HH21 ARG 3 52.801 5.383 -4.436
36 HH22 ARG 3 HH22 ARG 3 52.701 6.214 -5.952
37 H ARG 4 HN ARG 4 50.537 9.092 1.509
38 HA ARG 4 HA ARG 4 47.925 9.854 0.482
39 HB2 ARG 4 HB2 ARG 4 48.296 8.381 2.479
40 HB3 ARG 4 HB1 ARG 4 48.905 9.801 3.362
41 HG2 ARG 4 HG2 ARG 4 46.764 10.954 3.071
42 HG3 ARG 4 HG1 ARG 4 46.149 9.618 2.069
43 HD2 ARG 4 HD2 ARG 4 46.178 8.091 3.929
44 HD3 ARG 4 HD1 ARG 4 47.098 9.232 4.937
45 HE ARG 4 HE ARG 4 45.035 10.209 5.505
46 HH11 ARG 4 HH11 ARG 4 44.306 7.746 3.400
47 HH12 ARG 4 HH12 ARG 4 42.869 8.464 2.752
48 HH21 ARG 4 HH21 ARG 4 43.405 11.538 4.264
49 HH22 ARG 4 HH22 ARG 4 42.357 10.611 3.242
50 H ILE 5 HN ILE 5 50.613 11.494 2.111
51 HA ILE 5 HA ILE 5 49.153 13.941 2.617
52 HB ILE 5 HB ILE 5 51.253 13.310 3.827
53 HG12 ILE 5 HG12 ILE 5 52.370 15.541 3.693
54 HG13 ILE 5 HG11 ILE 5 51.440 15.915 2.228
55 HG21 ILE 5 HG21 ILE 5 52.681 14.053 1.244
56 HG22 ILE 5 HG22 ILE 5 52.347 12.372 1.725
57 HG23 ILE 5 HG23 ILE 5 53.396 13.395 2.736
58 HD11 ILE 5 HD1 ILE 5 50.574 16.742 4.604
59 HD12 ILE 5 HD2 ILE 5 49.956 15.079 4.738
60 HD13 ILE 5 HD3 ILE 5 49.413 16.128 3.406
61 H GLY 6 HN GLY 6 51.141 12.692 -0.044
62 HA2 GLY 6 HA1 GLY 6 51.377 15.150 -1.487
63 HA3 GLY 6 HA2 GLY 6 51.508 13.518 -2.173
64 H LYS 7 HN LYS 7 48.844 12.686 -1.335
65 HA LYS 7 HA LYS 7 46.910 14.530 -2.477
66 HB2 LYS 7 HB2 LYS 7 46.359 13.164 -4.484
67 HB3 LYS 7 HB1 LYS 7 47.986 13.880 -4.579
68 HG2 LYS 7 HG2 LYS 7 48.905 11.701 -3.661
69 HG3 LYS 7 HG1 LYS 7 47.273 11.012 -3.837
70 HD2 LYS 7 HD2 LYS 7 47.313 11.580 -6.263
71 HD3 LYS 7 HD1 LYS 7 48.967 12.208 -6.075
72 HE2 LYS 7 HE2 LYS 7 48.964 9.869 -6.925
73 HE3 LYS 7 HE1 LYS 7 49.744 9.988 -5.330
74 HZ1 LYS 7 HZ1 LYS 7 47.798 9.165 -4.282
75 HZ2 LYS 7 HZ2 LYS 7 48.119 8.125 -5.585
76 HZ3 LYS 7 HZ3 LYS 7 46.880 9.281 -5.704
77 H GLY 8 HN GLY 8 44.850 13.943 -1.969
78 HA2 GLY 8 HA1 GLY 8 43.995 11.252 -1.535
79 HA3 GLY 8 HA2 GLY 8 44.459 11.962 0.025
80 H VAL 9 HN VAL 9 42.579 12.298 1.041
81 HA VAL 9 HA VAL 9 40.210 13.243 -0.396
82 HB VAL 9 HB VAL 9 39.183 13.358 1.863
83 HG11 VAL 9 HG11 VAL 9 39.300 11.206 0.598
84 HG12 VAL 9 HG12 VAL 9 39.334 10.956 2.360
85 HG13 VAL 9 HG13 VAL 9 40.837 10.834 1.414
86 HG21 VAL 9 HG21 VAL 9 42.021 12.667 2.742
87 HG22 VAL 9 HG22 VAL 9 40.594 12.514 3.795
88 HG23 VAL 9 HG23 VAL 9 41.081 14.113 3.181
89 H LYS 10 HN LYS 10 42.711 14.917 -0.402
90 HA LYS 10 HA LYS 10 42.017 17.272 1.222
91 HB2 LYS 10 HB2 LYS 10 44.366 16.298 0.210
92 HB3 LYS 10 HB1 LYS 10 43.984 17.487 -1.050
93 HG2 LYS 10 HG2 LYS 10 44.161 18.051 1.950
94 HG3 LYS 10 HG1 LYS 10 45.384 18.485 0.732
95 HD2 LYS 10 HD2 LYS 10 43.447 19.766 -0.458
96 HD3 LYS 10 HD1 LYS 10 42.580 19.601 1.089
97 HE2 LYS 10 HE2 LYS 10 45.265 20.963 0.623
98 HE3 LYS 10 HE1 LYS 10 43.737 21.734 1.108
99 HZ1 LYS 10 HZ1 LYS 10 45.396 19.835 2.681
100 HZ2 LYS 10 HZ2 LYS 10 43.811 20.261 3.118
101 HZ3 LYS 10 HZ3 LYS 10 45.026 21.447 3.055
102 H ILE 11 HN ILE 11 41.171 15.944 -1.826
103 HA ILE 11 HA ILE 11 39.846 18.537 -2.619
104 HB ILE 11 HB ILE 11 41.004 16.520 -4.579
105 HG12 ILE 11 HG12 ILE 11 42.253 19.078 -3.471
106 HG13 ILE 11 HG11 ILE 11 42.865 17.422 -3.257
107 HG21 ILE 11 HG21 ILE 11 40.342 19.472 -4.965
108 HG22 ILE 11 HG22 ILE 11 39.142 18.183 -5.231
109 HG23 ILE 11 HG23 ILE 11 40.621 18.236 -6.215
110 HD11 ILE 11 HD1 ILE 11 42.936 17.322 -5.860
111 HD12 ILE 11 HD2 ILE 11 44.177 18.294 -5.033
112 HD13 ILE 11 HD3 ILE 11 42.780 19.095 -5.790
113 H ILE 12 HN ILE 12 39.961 14.988 -2.799
114 HA ILE 12 HA ILE 12 37.323 14.768 -4.030
115 HB ILE 12 HB ILE 12 39.052 12.773 -2.539
116 HG12 ILE 12 HG12 ILE 12 38.697 13.133 -5.555
117 HG13 ILE 12 HG11 ILE 12 40.034 13.852 -4.632
118 HG21 ILE 12 HG21 ILE 12 36.525 12.468 -4.215
119 HG22 ILE 12 HG22 ILE 12 36.851 11.847 -2.579
120 HG23 ILE 12 HG23 ILE 12 37.646 11.109 -3.980
121 HD11 ILE 12 HD1 ILE 12 41.054 11.870 -5.330
122 HD12 ILE 12 HD2 ILE 12 39.535 10.953 -5.332
123 HD13 ILE 12 HD3 ILE 12 40.359 11.306 -3.795
124 H GLY 13 HN GLY 13 38.177 12.962 -1.106
125 HA2 GLY 13 HA1 GLY 13 35.622 13.434 0.111
126 HA3 GLY 13 HA2 GLY 13 37.074 12.809 0.928
127 H GLY 14 HN GLY 14 38.122 15.336 -0.666
128 HA2 GLY 14 HA1 GLY 14 38.131 17.124 1.696
129 HA3 GLY 14 HA2 GLY 14 39.019 17.346 0.171
130 H ALA 15 HN ALA 15 36.993 17.114 -1.725
131 HA ALA 15 HA ALA 15 35.537 19.687 -1.202
132 HB1 ALA 15 HB1 ALA 15 36.693 19.296 -3.394
133 HB2 ALA 15 HB2 ALA 15 34.947 19.593 -3.556
134 HB3 ALA 15 HB3 ALA 15 35.582 17.937 -3.693
135 H ALA 16 HN ALA 16 35.061 17.170 0.227
136 HA ALA 16 HA ALA 16 33.202 16.113 1.095
137 HB1 ALA 16 HB1 ALA 16 32.075 18.392 0.434
138 HB2 ALA 16 HB2 ALA 16 31.048 16.981 0.782
139 HB3 ALA 16 HB3 ALA 16 31.366 17.456 -0.902
140 H LEU 17 HN LEU 17 34.848 14.870 -0.734
141 HA LEU 17 HA LEU 17 34.855 12.996 -2.105
142 HB2 LEU 17 HB2 LEU 17 31.847 12.772 -1.699
143 HB3 LEU 17 HB1 LEU 17 32.976 11.485 -2.155
144 HG LEU 17 HG LEU 17 33.359 12.951 0.484
145 HD11 LEU 17 HD11 LEU 17 31.002 12.247 0.483
146 HD12 LEU 17 HD12 LEU 17 31.955 11.227 1.586
147 HD13 LEU 17 HD13 LEU 17 31.479 10.605 -0.012
148 HD21 LEU 17 HD21 LEU 17 33.811 10.017 -0.203
149 HD22 LEU 17 HD22 LEU 17 34.525 10.964 1.123
150 HD23 LEU 17 HD23 LEU 17 35.035 11.256 -0.554
151 H ASP 18 HN ASP 18 34.313 15.724 -3.132
152 HA ASP 18 HA ASP 18 33.659 16.752 -5.116
153 HB2 ASP 18 HB2 ASP 18 34.318 13.941 -6.073
154 HB3 ASP 18 HB1 ASP 18 33.974 15.293 -7.178
155 H HIS 19 HN HIS 19 31.550 15.422 -3.455
156 HA HIS 19 HA HIS 19 29.289 14.927 -3.620
157 HB2 HIS 19 HB2 HIS 19 29.478 16.413 -6.270
158 HB3 HIS 19 HB1 HIS 19 28.021 16.171 -5.276
159 HD1 HIS 19 HD1 HIS 19 31.085 18.286 -5.626
160 HD2 HIS 19 HD2 HIS 19 28.106 17.621 -2.734
161 HE1 HIS 19 HE1 HIS 19 31.205 20.212 -3.951
162 H LEU 20 HN LEU 20 30.851 12.810 -4.316
163 HA LEU 20 HA LEU 20 30.548 11.680 -6.863
164 HB2 LEU 20 HB2 LEU 20 31.731 10.837 -4.637
165 HB3 LEU 20 HB1 LEU 20 30.218 9.940 -4.401
166 HG LEU 20 HG LEU 20 32.098 9.776 -6.802
167 HD11 LEU 20 HD11 LEU 20 31.253 7.753 -4.678
168 HD12 LEU 20 HD12 LEU 20 32.840 8.551 -4.787
169 HD13 LEU 20 HD13 LEU 20 32.325 7.415 -6.058
170 HD21 LEU 20 HD21 LEU 20 29.893 9.556 -7.710
171 HD22 LEU 20 HD22 LEU 20 29.323 8.619 -6.307
172 HD23 LEU 20 HD23 LEU 20 30.459 7.890 -7.467
Start of MODEL 87
1 H1 TRP 1 HT1 TRP 1 32.921 14.467 18.928
2 H2 TRP 1 HT2 TRP 1 33.752 15.596 17.967
3 H3 TRP 1 HT3 TRP 1 34.609 14.579 19.025
4 HA TRP 1 HA TRP 1 34.216 12.699 17.767
5 HB2 TRP 1 HB2 TRP 1 32.200 14.434 16.286
6 HB3 TRP 1 HB1 TRP 1 32.700 12.809 15.760
7 HD1 TRP 1 HD1 TRP 1 32.334 10.824 17.697
8 HE1 TRP 1 HE1 TRP 1 30.331 10.479 19.320
9 HE3 TRP 1 HE3 TRP 1 30.367 15.550 17.571
10 HZ2 TRP 1 HZ2 TRP 1 28.183 12.066 20.399
11 HZ3 TRP 1 HZ3 TRP 1 28.342 16.111 18.905
12 HH2 TRP 1 HH2 TRP 1 27.248 14.375 20.318
13 H LEU 2 HN LEU 2 34.649 12.373 15.252
14 HA LEU 2 HA LEU 2 37.129 13.695 14.731
15 HB2 LEU 2 HB2 LEU 2 36.617 11.480 13.832
16 HB3 LEU 2 HB1 LEU 2 35.253 12.136 12.903
17 HG LEU 2 HG LEU 2 36.773 13.451 11.505
18 HD11 LEU 2 HD11 LEU 2 39.325 12.952 11.845
19 HD12 LEU 2 HD12 LEU 2 38.858 12.475 13.496
20 HD13 LEU 2 HD13 LEU 2 38.553 14.133 12.926
21 HD21 LEU 2 HD21 LEU 2 36.355 11.085 10.899
22 HD22 LEU 2 HD22 LEU 2 37.763 10.589 11.869
23 HD23 LEU 2 HD23 LEU 2 37.990 11.592 10.417
24 H ARG 3 HN ARG 3 33.899 14.694 14.342
25 HA ARG 3 HA ARG 3 33.068 16.733 13.613
26 HB2 ARG 3 HB2 ARG 3 35.557 17.519 14.069
27 HB3 ARG 3 HB1 ARG 3 35.690 17.513 12.297
28 HG2 ARG 3 HG2 ARG 3 33.695 19.001 12.156
29 HG3 ARG 3 HG1 ARG 3 33.619 19.043 13.934
30 HD2 ARG 3 HD2 ARG 3 35.976 19.937 13.951
31 HD3 ARG 3 HD1 ARG 3 35.903 20.037 12.177
32 HE ARG 3 HE ARG 3 33.655 21.438 13.047
33 HH11 ARG 3 HH11 ARG 3 34.312 22.801 15.197
34 HH12 ARG 3 HH12 ARG 3 35.555 23.943 14.807
35 HH21 ARG 3 HH21 ARG 3 36.448 22.363 11.853
36 HH22 ARG 3 HH22 ARG 3 36.765 23.693 12.915
37 H ARG 4 HN ARG 4 35.423 15.309 11.305
38 HA ARG 4 HA ARG 4 33.744 16.019 9.007
39 HB2 ARG 4 HB2 ARG 4 36.176 14.205 9.273
40 HB3 ARG 4 HB1 ARG 4 35.411 14.672 7.735
41 HG2 ARG 4 HG2 ARG 4 35.895 17.018 8.130
42 HG3 ARG 4 HG1 ARG 4 36.480 16.666 9.775
43 HD2 ARG 4 HD2 ARG 4 38.371 15.425 8.919
44 HD3 ARG 4 HD1 ARG 4 37.730 15.486 7.260
45 HE ARG 4 HE ARG 4 39.260 17.574 8.554
46 HH11 ARG 4 HH11 ARG 4 38.734 16.933 5.555
47 HH12 ARG 4 HH12 ARG 4 37.982 18.412 5.058
48 HH21 ARG 4 HH21 ARG 4 37.380 19.502 8.295
49 HH22 ARG 4 HH22 ARG 4 37.215 19.866 6.610
50 H ILE 5 HN ILE 5 34.337 13.186 11.051
51 HA ILE 5 HA ILE 5 33.362 11.078 11.052
52 HB ILE 5 HB ILE 5 30.862 12.422 9.942
53 HG12 ILE 5 HG12 ILE 5 32.000 12.577 12.772
54 HG13 ILE 5 HG11 ILE 5 31.808 13.936 11.641
55 HG21 ILE 5 HG21 ILE 5 31.034 9.892 10.473
56 HG22 ILE 5 HG22 ILE 5 29.695 10.785 11.229
57 HG23 ILE 5 HG23 ILE 5 31.143 10.376 12.181
58 HD11 ILE 5 HD1 ILE 5 29.646 12.317 13.030
59 HD12 ILE 5 HD2 ILE 5 29.293 13.291 11.581
60 HD13 ILE 5 HD3 ILE 5 29.904 14.077 13.056
61 H GLY 6 HN GLY 6 34.929 11.273 8.883
62 HA2 GLY 6 HA1 GLY 6 34.053 9.286 7.153
63 HA3 GLY 6 HA2 GLY 6 33.480 10.789 6.405
64 H LYS 7 HN LYS 7 36.131 11.699 8.098
65 HA LYS 7 HA LYS 7 38.263 12.315 7.421
66 HB2 LYS 7 HB2 LYS 7 38.160 9.622 5.999
67 HB3 LYS 7 HB1 LYS 7 39.630 10.560 6.360
68 HG2 LYS 7 HG2 LYS 7 39.350 10.292 8.722
69 HG3 LYS 7 HG1 LYS 7 37.680 9.706 8.536
70 HD2 LYS 7 HD2 LYS 7 39.258 7.842 9.008
71 HD3 LYS 7 HD1 LYS 7 38.497 7.671 7.410
72 HE2 LYS 7 HE2 LYS 7 40.468 8.355 6.269
73 HE3 LYS 7 HE1 LYS 7 41.188 9.048 7.744
74 HZ1 LYS 7 HZ1 LYS 7 40.515 6.181 7.669
75 HZ2 LYS 7 HZ2 LYS 7 41.720 6.987 8.557
76 HZ3 LYS 7 HZ3 LYS 7 41.923 6.718 6.891
77 H GLY 8 HN GLY 8 39.774 12.478 5.382
78 HA2 GLY 8 HA1 GLY 8 38.560 12.562 2.789
79 HA3 GLY 8 HA2 GLY 8 38.477 14.172 3.528
80 H VAL 9 HN VAL 9 39.961 13.277 1.153
81 HA VAL 9 HA VAL 9 42.768 13.107 1.902
82 HB VAL 9 HB VAL 9 41.484 13.829 -0.772
83 HG11 VAL 9 HG11 VAL 9 43.771 14.594 -0.779
84 HG12 VAL 9 HG12 VAL 9 43.763 13.027 -1.623
85 HG13 VAL 9 HG13 VAL 9 44.330 13.129 0.061
86 HG21 VAL 9 HG21 VAL 9 42.679 11.191 0.184
87 HG22 VAL 9 HG22 VAL 9 41.793 11.492 -1.332
88 HG23 VAL 9 HG23 VAL 9 40.937 11.553 0.228
89 H LYS 10 HN LYS 10 41.479 15.588 -0.321
90 HA LYS 10 HA LYS 10 42.043 17.800 1.444
91 HB2 LYS 10 HB2 LYS 10 44.372 17.143 1.118
92 HB3 LYS 10 HB1 LYS 10 44.152 17.110 -0.643
93 HG2 LYS 10 HG2 LYS 10 45.293 19.187 0.145
94 HG3 LYS 10 HG1 LYS 10 43.760 19.537 -0.680
95 HD2 LYS 10 HD2 LYS 10 42.642 20.065 1.344
96 HD3 LYS 10 HD1 LYS 10 43.840 19.207 2.343
97 HE2 LYS 10 HE2 LYS 10 44.441 21.721 0.723
98 HE3 LYS 10 HE1 LYS 10 44.035 21.719 2.456
99 HZ1 LYS 10 HZ1 LYS 10 46.524 21.257 1.265
100 HZ2 LYS 10 HZ2 LYS 10 46.035 19.799 1.986
101 HZ3 LYS 10 HZ3 LYS 10 46.130 21.218 2.914
102 H ILE 11 HN ILE 11 41.285 16.395 -1.636
103 HA ILE 11 HA ILE 11 40.007 18.993 -2.468
104 HB ILE 11 HB ILE 11 41.391 17.128 -4.438
105 HG12 ILE 11 HG12 ILE 11 42.460 19.659 -3.105
106 HG13 ILE 11 HG11 ILE 11 43.104 18.012 -2.909
107 HG21 ILE 11 HG21 ILE 11 41.073 18.916 -5.999
108 HG22 ILE 11 HG22 ILE 11 40.662 20.072 -4.709
109 HG23 ILE 11 HG23 ILE 11 39.527 18.769 -5.133
110 HD11 ILE 11 HD1 ILE 11 44.529 19.000 -4.531
111 HD12 ILE 11 HD2 ILE 11 43.174 19.790 -5.369
112 HD13 ILE 11 HD3 ILE 11 43.395 18.027 -5.496
113 H ILE 12 HN ILE 12 40.304 15.473 -3.096
114 HA ILE 12 HA ILE 12 37.581 15.394 -4.241
115 HB ILE 12 HB ILE 12 39.548 13.196 -3.504
116 HG12 ILE 12 HG12 ILE 12 38.933 14.065 -6.358
117 HG13 ILE 12 HG11 ILE 12 40.089 15.011 -5.395
118 HG21 ILE 12 HG21 ILE 12 37.495 12.050 -3.663
119 HG22 ILE 12 HG22 ILE 12 38.027 11.982 -5.353
120 HG23 ILE 12 HG23 ILE 12 36.824 13.190 -4.852
121 HD11 ILE 12 HD1 ILE 12 41.046 13.094 -6.848
122 HD12 ILE 12 HD2 ILE 12 40.346 11.990 -5.642
123 HD13 ILE 12 HD3 ILE 12 41.577 13.177 -5.153
124 H GLY 13 HN GLY 13 38.685 12.826 -2.090
125 HA2 GLY 13 HA1 GLY 13 36.276 12.752 -0.575
126 HA3 GLY 13 HA2 GLY 13 37.843 12.083 -0.061
127 H GLY 14 HN GLY 14 38.696 14.953 -0.836
128 HA2 GLY 14 HA1 GLY 14 38.690 16.020 1.904
129 HA3 GLY 14 HA2 GLY 14 39.483 16.726 0.477
130 H ALA 15 HN ALA 15 37.452 17.009 -1.360
131 HA ALA 15 HA ALA 15 35.843 19.158 -0.026
132 HB1 ALA 15 HB1 ALA 15 35.797 18.279 -2.935
133 HB2 ALA 15 HB2 ALA 15 36.935 19.487 -2.286
134 HB3 ALA 15 HB3 ALA 15 35.185 19.799 -2.248
135 H ALA 16 HN ALA 16 35.546 16.320 0.610
136 HA ALA 16 HA ALA 16 33.770 14.959 1.178
137 HB1 ALA 16 HB1 ALA 16 31.565 15.742 1.137
138 HB2 ALA 16 HB2 ALA 16 31.805 16.667 -0.364
139 HB3 ALA 16 HB3 ALA 16 32.495 17.259 1.166
140 H LEU 17 HN LEU 17 35.440 14.401 -0.979
141 HA LEU 17 HA LEU 17 35.492 12.948 -2.792
142 HB2 LEU 17 HB2 LEU 17 33.634 11.819 -1.287
143 HB3 LEU 17 HB1 LEU 17 32.519 12.414 -2.535
144 HG LEU 17 HG LEU 17 34.272 11.287 -4.214
145 HD11 LEU 17 HD11 LEU 17 35.250 9.209 -3.227
146 HD12 LEU 17 HD12 LEU 17 34.720 9.742 -1.615
147 HD13 LEU 17 HD13 LEU 17 35.944 10.676 -2.503
148 HD21 LEU 17 HD21 LEU 17 33.000 9.108 -3.978
149 HD22 LEU 17 HD22 LEU 17 31.962 10.552 -4.063
150 HD23 LEU 17 HD23 LEU 17 32.264 9.763 -2.496
151 H ASP 18 HN ASP 18 34.577 15.843 -2.931
152 HA ASP 18 HA ASP 18 33.876 17.315 -4.582
153 HB2 ASP 18 HB2 ASP 18 35.642 16.032 -5.842
154 HB3 ASP 18 HB1 ASP 18 34.350 14.985 -6.479
155 H HIS 19 HN HIS 19 31.948 15.400 -3.276
156 HA HIS 19 HA HIS 19 29.712 14.821 -3.473
157 HB2 HIS 19 HB2 HIS 19 29.486 17.266 -3.729
158 HB3 HIS 19 HB1 HIS 19 29.724 17.106 -5.486
159 HD1 HIS 19 HD1 HIS 19 27.379 17.843 -6.213
160 HD2 HIS 19 HD2 HIS 19 27.348 14.658 -3.462
161 HE1 HIS 19 HE1 HIS 19 24.991 16.945 -6.115
162 H LEU 20 HN LEU 20 30.700 12.830 -4.518
163 HA LEU 20 HA LEU 20 30.548 11.188 -6.149
164 HB2 LEU 20 HB2 LEU 20 28.280 12.783 -7.388
165 HB3 LEU 20 HB1 LEU 20 28.519 11.021 -7.376
166 HG LEU 20 HG LEU 20 27.851 12.798 -4.987
167 HD11 LEU 20 HD11 LEU 20 26.341 10.507 -6.324
168 HD12 LEU 20 HD12 LEU 20 25.976 12.236 -6.538
169 HD13 LEU 20 HD13 LEU 20 25.778 11.476 -4.941
170 HD21 LEU 20 HD21 LEU 20 29.328 11.115 -4.134
171 HD22 LEU 20 HD22 LEU 20 28.633 9.859 -5.187
172 HD23 LEU 20 HD23 LEU 20 27.692 10.496 -3.817
Start of MODEL 88
1 H1 TRP 1 HT1 TRP 1 43.856 10.864 -11.314
2 H2 TRP 1 HT2 TRP 1 42.613 9.783 -10.899
3 H3 TRP 1 HT3 TRP 1 43.638 9.441 -12.210
4 HA TRP 1 HA TRP 1 45.467 9.068 -10.845
5 HB2 TRP 1 HB2 TRP 1 43.678 10.154 -8.637
6 HB3 TRP 1 HB1 TRP 1 45.244 9.355 -8.353
7 HD1 TRP 1 HD1 TRP 1 43.697 12.525 -9.836
8 HE1 TRP 1 HE1 TRP 1 45.541 14.331 -10.151
9 HE3 TRP 1 HE3 TRP 1 47.809 9.689 -8.710
10 HZ2 TRP 1 HZ2 TRP 1 48.409 14.491 -9.934
11 HZ3 TRP 1 HZ3 TRP 1 50.089 10.689 -8.770
12 HH2 TRP 1 HH2 TRP 1 50.392 13.085 -9.381
13 H LEU 2 HN LEU 2 45.682 7.324 -9.052
14 HA LEU 2 HA LEU 2 43.884 5.143 -9.839
15 HB2 LEU 2 HB2 LEU 2 45.976 5.068 -7.638
16 HB3 LEU 2 HB1 LEU 2 45.368 3.726 -8.635
17 HG LEU 2 HG LEU 2 47.022 6.093 -9.623
18 HD11 LEU 2 HD11 LEU 2 47.680 3.125 -9.357
19 HD12 LEU 2 HD12 LEU 2 48.282 4.414 -8.287
20 HD13 LEU 2 HD13 LEU 2 48.760 4.384 -10.002
21 HD21 LEU 2 HD21 LEU 2 45.586 5.469 -11.429
22 HD22 LEU 2 HD22 LEU 2 45.704 3.737 -11.036
23 HD23 LEU 2 HD23 LEU 2 47.099 4.591 -11.738
24 H ARG 3 HN ARG 3 43.795 7.597 -7.511
25 HA ARG 3 HA ARG 3 42.372 7.994 -5.734
26 HB2 ARG 3 HB2 ARG 3 40.886 5.453 -6.472
27 HB3 ARG 3 HB1 ARG 3 40.267 6.875 -5.605
28 HG2 ARG 3 HG2 ARG 3 41.194 6.825 -8.514
29 HG3 ARG 3 HG1 ARG 3 39.510 6.894 -7.955
30 HD2 ARG 3 HD2 ARG 3 40.253 9.037 -6.653
31 HD3 ARG 3 HD1 ARG 3 41.665 9.017 -7.741
32 HE ARG 3 HE ARG 3 39.566 8.787 -9.500
33 HH11 ARG 3 HH11 ARG 3 41.021 11.172 -7.620
34 HH12 ARG 3 HH12 ARG 3 39.826 12.386 -7.928
35 HH21 ARG 3 HH21 ARG 3 37.670 10.223 -9.572
36 HH22 ARG 3 HH22 ARG 3 37.927 11.848 -9.033
37 H ARG 4 HN ARG 4 44.132 5.064 -6.009
38 HA ARG 4 HA ARG 4 43.713 4.448 -3.089
39 HB2 ARG 4 HB2 ARG 4 44.733 2.751 -5.401
40 HB3 ARG 4 HB1 ARG 4 44.754 2.241 -3.694
41 HG2 ARG 4 HG2 ARG 4 42.340 2.393 -3.545
42 HG3 ARG 4 HG1 ARG 4 42.236 3.147 -5.154
43 HD2 ARG 4 HD2 ARG 4 43.198 1.070 -6.157
44 HD3 ARG 4 HD1 ARG 4 43.201 0.317 -4.545
45 HE ARG 4 HE ARG 4 40.925 -0.138 -4.915
46 HH11 ARG 4 HH11 ARG 4 41.339 0.796 -7.831
47 HH12 ARG 4 HH12 ARG 4 40.033 1.921 -7.988
48 HH21 ARG 4 HH21 ARG 4 39.465 2.145 -4.575
49 HH22 ARG 4 HH22 ARG 4 38.972 2.685 -6.147
50 H ILE 5 HN ILE 5 45.876 5.766 -5.409
51 HA ILE 5 HA ILE 5 48.408 5.008 -4.466
52 HB ILE 5 HB ILE 5 47.991 6.509 -6.433
53 HG12 ILE 5 HG12 ILE 5 49.856 7.709 -4.330
54 HG13 ILE 5 HG11 ILE 5 50.244 6.294 -5.335
55 HG21 ILE 5 HG21 ILE 5 47.724 8.745 -4.384
56 HG22 ILE 5 HG22 ILE 5 46.313 7.953 -5.125
57 HG23 ILE 5 HG23 ILE 5 47.475 8.833 -6.143
58 HD11 ILE 5 HD1 ILE 5 49.812 9.170 -6.212
59 HD12 ILE 5 HD2 ILE 5 49.723 7.819 -7.368
60 HD13 ILE 5 HD3 ILE 5 51.231 8.133 -6.478
61 H GLY 6 HN GLY 6 46.012 7.130 -3.013
62 HA2 GLY 6 HA1 GLY 6 47.026 6.942 -0.409
63 HA3 GLY 6 HA2 GLY 6 47.797 8.376 -1.115
64 H LYS 7 HN LYS 7 44.755 7.676 -2.475
65 HA LYS 7 HA LYS 7 42.724 8.771 -2.350
66 HB2 LYS 7 HB2 LYS 7 43.339 9.083 0.614
67 HB3 LYS 7 HB1 LYS 7 41.739 9.093 -0.166
68 HG2 LYS 7 HG2 LYS 7 42.224 6.745 -0.993
69 HG3 LYS 7 HG1 LYS 7 43.680 6.755 0.030
70 HD2 LYS 7 HD2 LYS 7 42.266 7.211 2.024
71 HD3 LYS 7 HD1 LYS 7 40.815 7.158 0.995
72 HE2 LYS 7 HE2 LYS 7 41.435 4.817 0.324
73 HE3 LYS 7 HE1 LYS 7 42.782 4.881 1.486
74 HZ1 LYS 7 HZ1 LYS 7 40.829 5.637 3.071
75 HZ2 LYS 7 HZ2 LYS 7 41.176 3.995 2.803
76 HZ3 LYS 7 HZ3 LYS 7 39.896 4.743 1.974
77 H GLY 8 HN GLY 8 44.326 10.570 0.304
78 HA2 GLY 8 HA1 GLY 8 44.907 12.806 0.452
79 HA3 GLY 8 HA2 GLY 8 44.981 12.853 -1.322
80 H VAL 9 HN VAL 9 42.600 12.687 1.357
81 HA VAL 9 HA VAL 9 40.512 13.906 -0.286
82 HB VAL 9 HB VAL 9 39.272 14.037 1.921
83 HG11 VAL 9 HG11 VAL 9 39.000 11.603 2.107
84 HG12 VAL 9 HG12 VAL 9 40.548 11.343 1.269
85 HG13 VAL 9 HG13 VAL 9 39.172 12.056 0.394
86 HG21 VAL 9 HG21 VAL 9 41.367 14.274 3.315
87 HG22 VAL 9 HG22 VAL 9 41.737 12.568 2.964
88 HG23 VAL 9 HG23 VAL 9 40.274 12.991 3.884
89 H LYS 10 HN LYS 10 43.010 15.425 -0.085
90 HA LYS 10 HA LYS 10 42.412 17.712 1.684
91 HB2 LYS 10 HB2 LYS 10 44.494 17.605 -0.524
92 HB3 LYS 10 HB1 LYS 10 44.504 18.582 0.965
93 HG2 LYS 10 HG2 LYS 10 44.753 15.545 0.785
94 HG3 LYS 10 HG1 LYS 10 46.048 16.691 1.204
95 HD2 LYS 10 HD2 LYS 10 44.505 17.461 3.141
96 HD3 LYS 10 HD1 LYS 10 43.560 15.989 2.809
97 HE2 LYS 10 HE2 LYS 10 45.141 15.414 4.529
98 HE3 LYS 10 HE1 LYS 10 45.739 14.677 3.022
99 HZ1 LYS 10 HZ1 LYS 10 47.615 15.711 3.777
100 HZ2 LYS 10 HZ2 LYS 10 46.774 16.989 4.516
101 HZ3 LYS 10 HZ3 LYS 10 46.973 16.961 2.829
102 H ILE 11 HN ILE 11 41.459 16.638 -1.386
103 HA ILE 11 HA ILE 11 40.381 19.362 -2.047
104 HB ILE 11 HB ILE 11 41.610 17.519 -4.133
105 HG12 ILE 11 HG12 ILE 11 42.838 19.937 -2.727
106 HG13 ILE 11 HG11 ILE 11 43.395 18.252 -2.601
107 HG21 ILE 11 HG21 ILE 11 41.363 19.395 -5.611
108 HG22 ILE 11 HG22 ILE 11 41.030 20.509 -4.263
109 HG23 ILE 11 HG23 ILE 11 39.825 19.285 -4.727
110 HD11 ILE 11 HD1 ILE 11 43.526 20.114 -4.997
111 HD12 ILE 11 HD2 ILE 11 43.643 18.348 -5.193
112 HD13 ILE 11 HD3 ILE 11 44.845 19.217 -4.212
113 H ILE 12 HN ILE 12 40.411 15.853 -2.596
114 HA ILE 12 HA ILE 12 37.845 15.843 -3.990
115 HB ILE 12 HB ILE 12 39.408 13.646 -2.597
116 HG12 ILE 12 HG12 ILE 12 39.275 14.230 -5.594
117 HG13 ILE 12 HG11 ILE 12 40.531 14.927 -4.548
118 HG21 ILE 12 HG21 ILE 12 38.054 12.169 -4.230
119 HG22 ILE 12 HG22 ILE 12 37.040 13.600 -4.521
120 HG23 ILE 12 HG23 ILE 12 37.134 12.890 -2.894
121 HD11 ILE 12 HD1 ILE 12 41.589 12.989 -5.359
122 HD12 ILE 12 HD2 ILE 12 40.097 12.029 -5.329
123 HD13 ILE 12 HD3 ILE 12 40.938 12.413 -3.809
124 H GLY 13 HN GLY 13 38.473 13.736 -1.206
125 HA2 GLY 13 HA1 GLY 13 35.865 14.145 -0.083
126 HA3 GLY 13 HA2 GLY 13 37.269 13.433 0.747
127 H GLY 14 HN GLY 14 38.477 16.048 -0.522
128 HA2 GLY 14 HA1 GLY 14 38.360 17.613 1.985
129 HA3 GLY 14 HA2 GLY 14 39.356 17.949 0.550
130 H ALA 15 HN ALA 15 37.429 17.953 -1.479
131 HA ALA 15 HA ALA 15 36.061 20.536 -0.832
132 HB1 ALA 15 HB1 ALA 15 37.261 20.277 -2.998
133 HB2 ALA 15 HB2 ALA 15 35.525 20.596 -3.216
134 HB3 ALA 15 HB3 ALA 15 36.157 18.948 -3.429
135 H ALA 16 HN ALA 16 35.401 17.940 0.391
136 HA ALA 16 HA ALA 16 33.435 16.999 1.160
137 HB1 ALA 16 HB1 ALA 16 31.761 18.411 -0.928
138 HB2 ALA 16 HB2 ALA 16 32.438 19.332 0.436
139 HB3 ALA 16 HB3 ALA 16 31.345 17.961 0.743
140 H LEU 17 HN LEU 17 35.187 15.851 -0.801
141 HA LEU 17 HA LEU 17 35.178 14.101 -2.339
142 HB2 LEU 17 HB2 LEU 17 33.420 13.435 -0.323
143 HB3 LEU 17 HB1 LEU 17 32.359 13.266 -1.734
144 HG LEU 17 HG LEU 17 35.090 11.927 -1.414
145 HD11 LEU 17 HD11 LEU 17 32.274 10.768 -1.257
146 HD12 LEU 17 HD12 LEU 17 33.342 11.054 0.138
147 HD13 LEU 17 HD13 LEU 17 33.796 9.860 -1.102
148 HD21 LEU 17 HD21 LEU 17 34.250 10.588 -3.396
149 HD22 LEU 17 HD22 LEU 17 34.576 12.297 -3.762
150 HD23 LEU 17 HD23 LEU 17 32.901 11.738 -3.532
151 H ASP 18 HN ASP 18 33.822 16.813 -2.935
152 HA ASP 18 HA ASP 18 32.768 17.794 -4.746
153 HB2 ASP 18 HB2 ASP 18 34.578 16.622 -5.969
154 HB3 ASP 18 HB1 ASP 18 33.522 15.204 -6.156
155 H HIS 19 HN HIS 19 31.945 14.446 -5.678
156 HA HIS 19 HA HIS 19 29.271 14.974 -6.327
157 HB2 HIS 19 HB2 HIS 19 30.456 12.863 -6.857
158 HB3 HIS 19 HB1 HIS 19 30.396 12.407 -5.137
159 HD1 HIS 19 HD1 HIS 19 28.595 10.723 -4.784
160 HD2 HIS 19 HD2 HIS 19 27.503 13.608 -7.640
161 HE1 HIS 19 HE1 HIS 19 26.188 10.230 -5.484
162 H LEU 20 HN LEU 20 30.389 13.417 -3.278
163 HA LEU 20 HA LEU 20 28.638 15.048 -1.651
164 HB2 LEU 20 HB2 LEU 20 27.009 13.462 -2.837
165 HB3 LEU 20 HB1 LEU 20 27.792 12.144 -1.937
166 HG LEU 20 HG LEU 20 27.321 13.675 0.188
167 HD11 LEU 20 HD11 LEU 20 25.293 14.712 -1.848
168 HD12 LEU 20 HD12 LEU 20 26.506 15.668 -0.965
169 HD13 LEU 20 HD13 LEU 20 25.148 14.929 -0.091
170 HD21 LEU 20 HD21 LEU 20 25.104 12.185 -1.290
171 HD22 LEU 20 HD22 LEU 20 25.083 12.610 0.439
172 HD23 LEU 20 HD23 LEU 20 26.297 11.466 -0.182
Start of MODEL 89
1 H1 TRP 1 HT1 TRP 1 32.763 19.083 12.474
2 H2 TRP 1 HT2 TRP 1 31.406 19.317 11.479
3 H3 TRP 1 HT3 TRP 1 32.313 20.650 12.010
4 HA TRP 1 HA TRP 1 32.982 20.378 9.849
5 HB2 TRP 1 HB2 TRP 1 34.965 18.728 11.459
6 HB3 TRP 1 HB1 TRP 1 35.298 19.738 10.032
7 HD1 TRP 1 HD1 TRP 1 34.576 19.937 13.767
8 HE1 TRP 1 HE1 TRP 1 35.056 22.342 14.633
9 HE3 TRP 1 HE3 TRP 1 35.366 22.266 9.278
10 HZ2 TRP 1 HZ2 TRP 1 35.692 24.912 13.499
11 HZ3 TRP 1 HZ3 TRP 1 35.909 24.695 9.193
12 HH2 TRP 1 HH2 TRP 1 36.072 26.018 11.298
13 H LEU 2 HN LEU 2 34.022 18.896 8.198
14 HA LEU 2 HA LEU 2 32.256 16.608 7.833
15 HB2 LEU 2 HB2 LEU 2 34.771 17.171 6.227
16 HB3 LEU 2 HB1 LEU 2 33.258 16.398 5.695
17 HG LEU 2 HG LEU 2 33.635 19.327 6.462
18 HD11 LEU 2 HD11 LEU 2 34.505 18.633 4.221
19 HD12 LEU 2 HD12 LEU 2 33.119 19.744 4.100
20 HD13 LEU 2 HD13 LEU 2 32.891 18.001 3.818
21 HD21 LEU 2 HD21 LEU 2 31.162 17.686 5.773
22 HD22 LEU 2 HD22 LEU 2 31.208 19.457 5.588
23 HD23 LEU 2 HD23 LEU 2 31.432 18.723 7.193
24 H ARG 3 HN ARG 3 35.197 17.121 9.472
25 HA ARG 3 HA ARG 3 36.503 15.644 10.681
26 HB2 ARG 3 HB2 ARG 3 34.223 14.301 10.746
27 HB3 ARG 3 HB1 ARG 3 35.028 13.236 9.576
28 HG2 ARG 3 HG2 ARG 3 35.662 12.199 11.575
29 HG3 ARG 3 HG1 ARG 3 37.030 13.311 11.353
30 HD2 ARG 3 HD2 ARG 3 35.815 14.983 12.819
31 HD3 ARG 3 HD1 ARG 3 34.583 13.738 13.126
32 HE ARG 3 HE ARG 3 37.204 12.691 13.703
33 HH11 ARG 3 HH11 ARG 3 37.230 15.415 15.033
34 HH12 ARG 3 HH12 ARG 3 36.600 15.037 16.601
35 HH21 ARG 3 HH21 ARG 3 35.335 11.953 15.643
36 HH22 ARG 3 HH22 ARG 3 35.527 13.078 16.948
37 H ARG 4 HN ARG 4 35.671 14.684 7.357
38 HA ARG 4 HA ARG 4 38.194 13.263 6.954
39 HB2 ARG 4 HB2 ARG 4 36.154 14.313 4.951
40 HB3 ARG 4 HB1 ARG 4 37.479 13.179 4.594
41 HG2 ARG 4 HG2 ARG 4 36.523 11.615 6.326
42 HG3 ARG 4 HG1 ARG 4 35.134 12.717 6.485
43 HD2 ARG 4 HD2 ARG 4 34.788 12.476 3.974
44 HD3 ARG 4 HD1 ARG 4 36.007 11.178 4.007
45 HE ARG 4 HE ARG 4 33.265 10.908 4.842
46 HH11 ARG 4 HH11 ARG 4 33.192 9.931 7.143
47 HH12 ARG 4 HH12 ARG 4 34.198 8.531 7.309
48 HH21 ARG 4 HH21 ARG 4 35.998 9.152 4.411
49 HH22 ARG 4 HH22 ARG 4 35.785 8.089 5.762
50 H ILE 5 HN ILE 5 37.061 16.553 6.733
51 HA ILE 5 HA ILE 5 38.862 17.617 4.836
52 HB ILE 5 HB ILE 5 37.010 18.917 5.882
53 HG12 ILE 5 HG12 ILE 5 38.240 21.051 6.230
54 HG13 ILE 5 HG11 ILE 5 39.771 20.159 6.345
55 HG21 ILE 5 HG21 ILE 5 37.464 17.969 8.204
56 HG22 ILE 5 HG22 ILE 5 37.150 19.720 8.145
57 HG23 ILE 5 HG23 ILE 5 38.817 19.120 8.323
58 HD11 ILE 5 HD1 ILE 5 38.016 19.793 3.894
59 HD12 ILE 5 HD2 ILE 5 39.782 19.621 4.050
60 HD13 ILE 5 HD3 ILE 5 39.045 21.238 4.033
61 H GLY 6 HN GLY 6 39.298 16.854 8.284
62 HA2 GLY 6 HA1 GLY 6 41.990 17.979 8.382
63 HA3 GLY 6 HA2 GLY 6 41.197 16.993 9.625
64 H LYS 7 HN LYS 7 40.644 15.107 7.141
65 HA LYS 7 HA LYS 7 43.267 14.059 6.484
66 HB2 LYS 7 HB2 LYS 7 43.030 13.398 8.926
67 HB3 LYS 7 HB1 LYS 7 41.648 12.388 8.442
68 HG2 LYS 7 HG2 LYS 7 43.132 11.199 6.812
69 HG3 LYS 7 HG1 LYS 7 44.509 12.156 7.410
70 HD2 LYS 7 HD2 LYS 7 43.971 11.278 9.740
71 HD3 LYS 7 HD1 LYS 7 42.819 10.161 8.972
72 HE2 LYS 7 HE2 LYS 7 45.822 10.324 8.481
73 HE3 LYS 7 HE1 LYS 7 44.931 8.991 9.252
74 HZ1 LYS 7 HZ1 LYS 7 45.197 8.284 7.075
75 HZ2 LYS 7 HZ2 LYS 7 44.933 9.827 6.415
76 HZ3 LYS 7 HZ3 LYS 7 43.632 8.939 7.053
77 H GLY 8 HN GLY 8 42.723 13.702 4.409
78 HA2 GLY 8 HA1 GLY 8 41.012 11.457 3.796
79 HA3 GLY 8 HA2 GLY 8 40.204 12.990 3.415
80 H VAL 9 HN VAL 9 41.017 14.341 1.784
81 HA VAL 9 HA VAL 9 43.309 13.319 0.171
82 HB VAL 9 HB VAL 9 40.604 13.889 -1.119
83 HG11 VAL 9 HG11 VAL 9 42.481 14.238 -2.620
84 HG12 VAL 9 HG12 VAL 9 41.730 12.682 -3.043
85 HG13 VAL 9 HG13 VAL 9 43.242 12.714 -2.105
86 HG21 VAL 9 HG21 VAL 9 40.348 11.878 0.228
87 HG22 VAL 9 HG22 VAL 9 41.907 11.241 -0.348
88 HG23 VAL 9 HG23 VAL 9 40.535 11.384 -1.471
89 H LYS 10 HN LYS 10 41.259 15.779 1.379
90 HA LYS 10 HA LYS 10 41.499 18.073 1.382
91 HB2 LYS 10 HB2 LYS 10 44.021 17.409 1.326
92 HB3 LYS 10 HB1 LYS 10 43.951 17.857 -0.388
93 HG2 LYS 10 HG2 LYS 10 44.691 19.808 0.795
94 HG3 LYS 10 HG1 LYS 10 43.007 20.110 0.319
95 HD2 LYS 10 HD2 LYS 10 42.202 19.941 2.524
96 HD3 LYS 10 HD1 LYS 10 43.540 18.896 3.050
97 HE2 LYS 10 HE2 LYS 10 43.674 21.219 3.986
98 HE3 LYS 10 HE1 LYS 10 45.090 20.789 2.997
99 HZ1 LYS 10 HZ1 LYS 10 42.729 22.337 2.047
100 HZ2 LYS 10 HZ2 LYS 10 44.107 21.953 1.131
101 HZ3 LYS 10 HZ3 LYS 10 44.234 23.000 2.463
102 H ILE 11 HN ILE 11 41.299 16.210 -1.458
103 HA ILE 11 HA ILE 11 40.297 18.595 -3.021
104 HB ILE 11 HB ILE 11 41.449 16.041 -4.201
105 HG12 ILE 11 HG12 ILE 11 42.830 18.694 -3.585
106 HG13 ILE 11 HG11 ILE 11 43.211 17.110 -2.872
107 HG21 ILE 11 HG21 ILE 11 39.903 17.609 -5.544
108 HG22 ILE 11 HG22 ILE 11 41.498 17.285 -6.256
109 HG23 ILE 11 HG23 ILE 11 41.194 18.826 -5.417
110 HD11 ILE 11 HD1 ILE 11 43.664 18.063 -5.719
111 HD12 ILE 11 HD2 ILE 11 43.615 16.326 -5.325
112 HD13 ILE 11 HD3 ILE 11 44.841 17.377 -4.577
113 H ILE 12 HN ILE 12 40.037 15.054 -2.538
114 HA ILE 12 HA ILE 12 37.307 15.102 -3.761
115 HB ILE 12 HB ILE 12 39.044 12.802 -2.794
116 HG12 ILE 12 HG12 ILE 12 40.166 13.922 -4.629
117 HG13 ILE 12 HG11 ILE 12 39.480 12.407 -5.247
118 HG21 ILE 12 HG21 ILE 12 37.379 11.616 -4.572
119 HG22 ILE 12 HG22 ILE 12 36.315 12.957 -4.091
120 HG23 ILE 12 HG23 ILE 12 36.927 11.824 -2.866
121 HD11 ILE 12 HD1 ILE 12 38.881 13.966 -6.913
122 HD12 ILE 12 HD2 ILE 12 38.563 15.258 -5.734
123 HD13 ILE 12 HD3 ILE 12 37.415 13.910 -5.910
124 H GLY 13 HN GLY 13 38.101 12.643 -1.402
125 HA2 GLY 13 HA1 GLY 13 35.801 13.089 0.181
126 HA3 GLY 13 HA2 GLY 13 37.274 12.261 0.732
127 H GLY 14 HN GLY 14 38.485 14.930 -0.328
128 HA2 GLY 14 HA1 GLY 14 38.596 16.246 2.320
129 HA3 GLY 14 HA2 GLY 14 39.548 16.649 0.875
130 H ALA 15 HN ALA 15 37.655 17.022 -1.092
131 HA ALA 15 HA ALA 15 36.404 19.558 -0.106
132 HB1 ALA 15 HB1 ALA 15 37.645 19.285 -2.354
133 HB2 ALA 15 HB2 ALA 15 36.059 20.093 -2.387
134 HB3 ALA 15 HB3 ALA 15 36.202 18.397 -2.904
135 H ALA 16 HN ALA 16 35.622 16.837 0.759
136 HA ALA 16 HA ALA 16 33.611 15.904 1.424
137 HB1 ALA 16 HB1 ALA 16 31.575 17.027 1.183
138 HB2 ALA 16 HB2 ALA 16 31.998 17.680 -0.417
139 HB3 ALA 16 HB3 ALA 16 32.739 18.365 1.048
140 H LEU 17 HN LEU 17 35.189 14.698 -0.441
141 HA LEU 17 HA LEU 17 35.078 13.048 -2.071
142 HB2 LEU 17 HB2 LEU 17 32.048 13.164 -1.823
143 HB3 LEU 17 HB1 LEU 17 33.027 11.821 -2.439
144 HG LEU 17 HG LEU 17 33.471 12.814 0.403
145 HD11 LEU 17 HD11 LEU 17 31.805 11.148 1.189
146 HD12 LEU 17 HD12 LEU 17 31.324 10.846 -0.499
147 HD13 LEU 17 HD13 LEU 17 31.043 12.443 0.236
148 HD21 LEU 17 HD21 LEU 17 34.279 10.571 0.763
149 HD22 LEU 17 HD22 LEU 17 34.979 11.099 -0.783
150 HD23 LEU 17 HD23 LEU 17 33.583 10.000 -0.770
151 H ASP 18 HN ASP 18 34.042 16.120 -2.469
152 HA ASP 18 HA ASP 18 33.527 17.427 -4.319
153 HB2 ASP 18 HB2 ASP 18 35.762 16.582 -4.986
154 HB3 ASP 18 HB1 ASP 18 34.987 15.197 -5.791
155 H HIS 19 HN HIS 19 31.388 15.887 -3.521
156 HA HIS 19 HA HIS 19 29.360 15.057 -4.283
157 HB2 HIS 19 HB2 HIS 19 29.455 17.227 -5.549
158 HB3 HIS 19 HB1 HIS 19 30.156 16.341 -6.924
159 HD1 HIS 19 HD1 HIS 19 27.408 14.987 -4.651
160 HD2 HIS 19 HD2 HIS 19 27.856 16.478 -8.557
161 HE1 HIS 19 HE1 HIS 19 25.233 14.506 -5.904
162 H LEU 20 HN LEU 20 31.671 13.332 -4.451
163 HA LEU 20 HA LEU 20 30.523 11.286 -6.163
164 HB2 LEU 20 HB2 LEU 20 31.936 12.925 -7.692
165 HB3 LEU 20 HB1 LEU 20 33.331 12.077 -6.997
166 HG LEU 20 HG LEU 20 30.995 10.811 -8.502
167 HD11 LEU 20 HD11 LEU 20 32.665 12.015 -9.901
168 HD12 LEU 20 HD12 LEU 20 32.724 10.256 -10.169
169 HD13 LEU 20 HD13 LEU 20 33.964 11.046 -9.165
170 HD21 LEU 20 HD21 LEU 20 31.629 9.201 -6.858
171 HD22 LEU 20 HD22 LEU 20 33.355 9.618 -6.991
172 HD23 LEU 20 HD23 LEU 20 32.547 8.734 -8.307
Start of MODEL 90
1 H1 TRP 1 HT1 TRP 1 36.332 0.270 9.928
2 H2 TRP 1 HT2 TRP 1 35.403 0.441 8.516
3 H3 TRP 1 HT3 TRP 1 35.651 1.773 9.542
4 HA TRP 1 HA TRP 1 37.926 1.875 9.033
5 HB2 TRP 1 HB2 TRP 1 37.460 -0.564 7.276
6 HB3 TRP 1 HB1 TRP 1 39.004 0.269 7.573
7 HD1 TRP 1 HD1 TRP 1 39.994 0.122 10.094
8 HE1 TRP 1 HE1 TRP 1 39.768 -1.719 11.917
9 HE3 TRP 1 HE3 TRP 1 35.916 -2.357 8.239
10 HZ2 TRP 1 HZ2 TRP 1 38.037 -3.954 12.467
11 HZ3 TRP 1 HZ3 TRP 1 34.994 -4.340 9.429
12 HH2 TRP 1 HH2 TRP 1 36.050 -5.140 11.539
13 H LEU 2 HN LEU 2 38.199 3.536 7.701
14 HA LEU 2 HA LEU 2 36.197 4.180 5.719
15 HB2 LEU 2 HB2 LEU 2 38.967 5.395 5.901
16 HB3 LEU 2 HB1 LEU 2 37.464 6.152 5.324
17 HG LEU 2 HG LEU 2 38.086 5.299 8.186
18 HD11 LEU 2 HD11 LEU 2 37.569 8.049 6.971
19 HD12 LEU 2 HD12 LEU 2 39.184 7.399 7.349
20 HD13 LEU 2 HD13 LEU 2 38.013 7.696 8.658
21 HD21 LEU 2 HD21 LEU 2 35.553 6.339 6.850
22 HD22 LEU 2 HD22 LEU 2 35.845 6.553 8.593
23 HD23 LEU 2 HD23 LEU 2 35.745 4.918 7.904
24 H ARG 3 HN ARG 3 39.702 3.777 5.267
25 HA ARG 3 HA ARG 3 39.470 1.814 3.169
26 HB2 ARG 3 HB2 ARG 3 38.553 3.902 2.013
27 HB3 ARG 3 HB1 ARG 3 40.170 4.619 2.211
28 HG2 ARG 3 HG2 ARG 3 41.167 2.735 0.952
29 HG3 ARG 3 HG1 ARG 3 39.555 2.003 0.764
30 HD2 ARG 3 HD2 ARG 3 38.790 4.055 -0.435
31 HD3 ARG 3 HD1 ARG 3 40.434 4.723 -0.301
32 HE ARG 3 HE ARG 3 39.595 2.879 -2.302
33 HH11 ARG 3 HH11 ARG 3 42.045 4.160 -2.891
34 HH12 ARG 3 HH12 ARG 3 43.273 2.989 -2.544
35 HH21 ARG 3 HH21 ARG 3 41.201 1.004 -0.595
36 HH22 ARG 3 HH22 ARG 3 42.795 1.202 -1.243
37 H ARG 4 HN ARG 4 41.001 4.060 5.185
38 HA ARG 4 HA ARG 4 43.405 2.564 5.446
39 HB2 ARG 4 HB2 ARG 4 44.976 4.316 4.450
40 HB3 ARG 4 HB1 ARG 4 44.095 3.317 3.269
41 HG2 ARG 4 HG2 ARG 4 42.486 5.074 2.864
42 HG3 ARG 4 HG1 ARG 4 43.121 6.043 4.217
43 HD2 ARG 4 HD2 ARG 4 43.885 6.698 1.827
44 HD3 ARG 4 HD1 ARG 4 45.147 6.524 3.070
45 HE ARG 4 HE ARG 4 46.007 4.731 1.810
46 HH11 ARG 4 HH11 ARG 4 45.048 2.496 1.311
47 HH12 ARG 4 HH12 ARG 4 43.945 2.507 -0.025
48 HH21 ARG 4 HH21 ARG 4 43.559 5.953 -0.019
49 HH22 ARG 4 HH22 ARG 4 43.103 4.465 -0.779
50 H ILE 5 HN ILE 5 41.127 4.537 6.484
51 HA ILE 5 HA ILE 5 40.924 5.967 8.295
52 HB ILE 5 HB ILE 5 43.729 5.097 9.109
53 HG12 ILE 5 HG12 ILE 5 42.615 3.030 8.692
54 HG13 ILE 5 HG11 ILE 5 42.459 3.286 10.439
55 HG21 ILE 5 HG21 ILE 5 41.317 6.226 10.581
56 HG22 ILE 5 HG22 ILE 5 42.978 6.851 10.516
57 HG23 ILE 5 HG23 ILE 5 42.624 5.371 11.432
58 HD11 ILE 5 HD1 ILE 5 40.343 3.682 8.287
59 HD12 ILE 5 HD2 ILE 5 40.157 4.331 9.931
60 HD13 ILE 5 HD3 ILE 5 40.300 2.579 9.680
61 H GLY 6 HN GLY 6 40.987 7.762 6.818
62 HA2 GLY 6 HA1 GLY 6 43.075 9.665 7.557
63 HA3 GLY 6 HA2 GLY 6 43.180 9.141 5.865
64 H LYS 7 HN LYS 7 40.026 8.800 6.436
65 HA LYS 7 HA LYS 7 38.173 10.039 5.805
66 HB2 LYS 7 HB2 LYS 7 39.707 12.345 7.077
67 HB3 LYS 7 HB1 LYS 7 37.956 12.278 6.770
68 HG2 LYS 7 HG2 LYS 7 37.642 10.507 8.360
69 HG3 LYS 7 HG1 LYS 7 39.390 10.215 8.487
70 HD2 LYS 7 HD2 LYS 7 38.517 11.485 10.443
71 HD3 LYS 7 HD1 LYS 7 39.721 12.417 9.524
72 HE2 LYS 7 HE2 LYS 7 37.541 13.638 10.239
73 HE3 LYS 7 HE1 LYS 7 38.070 13.817 8.551
74 HZ1 LYS 7 HZ1 LYS 7 36.527 12.110 7.895
75 HZ2 LYS 7 HZ2 LYS 7 35.686 13.294 8.777
76 HZ3 LYS 7 HZ3 LYS 7 36.085 11.811 9.505
77 H GLY 8 HN GLY 8 38.096 12.882 5.102
78 HA2 GLY 8 HA1 GLY 8 38.266 12.824 2.368
79 HA3 GLY 8 HA2 GLY 8 38.551 14.297 3.313
80 H VAL 9 HN VAL 9 39.704 13.226 0.741
81 HA VAL 9 HA VAL 9 42.467 12.543 1.303
82 HB VAL 9 HB VAL 9 41.234 13.680 -1.247
83 HG11 VAL 9 HG11 VAL 9 43.870 12.286 -0.620
84 HG12 VAL 9 HG12 VAL 9 43.639 13.911 -1.309
85 HG13 VAL 9 HG13 VAL 9 43.232 12.469 -2.271
86 HG21 VAL 9 HG21 VAL 9 41.711 10.815 -0.307
87 HG22 VAL 9 HG22 VAL 9 41.198 11.274 -1.949
88 HG23 VAL 9 HG23 VAL 9 40.131 11.594 -0.559
89 H LYS 10 HN LYS 10 41.381 15.373 -0.596
90 HA LYS 10 HA LYS 10 42.521 17.323 1.188
91 HB2 LYS 10 HB2 LYS 10 44.662 16.349 0.523
92 HB3 LYS 10 HB1 LYS 10 44.221 16.467 -1.193
93 HG2 LYS 10 HG2 LYS 10 45.766 18.289 -0.463
94 HG3 LYS 10 HG1 LYS 10 44.222 18.918 -1.072
95 HD2 LYS 10 HD2 LYS 10 43.446 19.473 1.104
96 HD3 LYS 10 HD1 LYS 10 44.616 18.393 1.899
97 HE2 LYS 10 HE2 LYS 10 46.467 19.872 1.222
98 HE3 LYS 10 HE1 LYS 10 45.326 20.930 0.358
99 HZ1 LYS 10 HZ1 LYS 10 45.313 22.010 2.319
100 HZ2 LYS 10 HZ2 LYS 10 45.820 20.658 3.214
101 HZ3 LYS 10 HZ3 LYS 10 44.189 20.822 2.766
102 H ILE 11 HN ILE 11 41.130 16.240 -1.766
103 HA ILE 11 HA ILE 11 40.097 19.001 -2.292
104 HB ILE 11 HB ILE 11 41.143 17.232 -4.544
105 HG12 ILE 11 HG12 ILE 11 42.513 19.550 -3.100
106 HG13 ILE 11 HG11 ILE 11 43.052 17.855 -3.131
107 HG21 ILE 11 HG21 ILE 11 40.609 20.232 -4.492
108 HG22 ILE 11 HG22 ILE 11 39.350 19.048 -4.915
109 HG23 ILE 11 HG23 ILE 11 40.820 19.176 -5.909
110 HD11 ILE 11 HD1 ILE 11 43.021 19.871 -5.400
111 HD12 ILE 11 HD2 ILE 11 43.095 18.120 -5.722
112 HD13 ILE 11 HD3 ILE 11 44.386 18.912 -4.787
113 H ILE 12 HN ILE 12 40.043 15.530 -3.156
114 HA ILE 12 HA ILE 12 37.294 15.692 -4.165
115 HB ILE 12 HB ILE 12 39.028 13.322 -3.393
116 HG12 ILE 12 HG12 ILE 12 38.481 14.452 -6.181
117 HG13 ILE 12 HG11 ILE 12 39.913 14.888 -5.222
118 HG21 ILE 12 HG21 ILE 12 36.740 12.584 -3.489
119 HG22 ILE 12 HG22 ILE 12 37.441 12.130 -5.053
120 HG23 ILE 12 HG23 ILE 12 36.404 13.569 -4.930
121 HD11 ILE 12 HD1 ILE 12 40.771 13.121 -6.494
122 HD12 ILE 12 HD2 ILE 12 39.225 12.251 -6.540
123 HD13 ILE 12 HD3 ILE 12 40.217 12.227 -5.062
124 H GLY 13 HN GLY 13 38.266 13.146 -1.899
125 HA2 GLY 13 HA1 GLY 13 35.863 13.350 -0.351
126 HA3 GLY 13 HA2 GLY 13 37.363 12.533 0.146
127 H GLY 14 HN GLY 14 38.438 15.300 -0.809
128 HA2 GLY 14 HA1 GLY 14 38.682 16.454 1.891
129 HA3 GLY 14 HA2 GLY 14 39.470 17.022 0.403
130 H ALA 15 HN ALA 15 37.330 17.398 -1.334
131 HA ALA 15 HA ALA 15 36.074 19.794 -0.049
132 HB1 ALA 15 HB1 ALA 15 36.981 19.916 -2.380
133 HB2 ALA 15 HB2 ALA 15 35.249 20.305 -2.279
134 HB3 ALA 15 HB3 ALA 15 35.767 18.713 -2.880
135 H ALA 16 HN ALA 16 35.541 17.035 0.793
136 HA ALA 16 HA ALA 16 33.684 15.937 1.615
137 HB1 ALA 16 HB1 ALA 16 31.775 17.704 0.070
138 HB2 ALA 16 HB2 ALA 16 32.643 18.355 1.480
139 HB3 ALA 16 HB3 ALA 16 31.574 16.943 1.666
140 H LEU 17 HN LEU 17 35.138 15.129 -0.687
141 HA LEU 17 HA LEU 17 34.894 13.639 -2.467
142 HB2 LEU 17 HB2 LEU 17 33.459 12.519 -0.599
143 HB3 LEU 17 HB1 LEU 17 32.058 13.104 -1.522
144 HG LEU 17 HG LEU 17 33.359 11.957 -3.584
145 HD11 LEU 17 HD11 LEU 17 35.322 11.378 -2.027
146 HD12 LEU 17 HD12 LEU 17 34.666 10.034 -2.988
147 HD13 LEU 17 HD13 LEU 17 34.244 10.188 -1.265
148 HD21 LEU 17 HD21 LEU 17 31.106 11.316 -2.767
149 HD22 LEU 17 HD22 LEU 17 31.850 10.358 -1.464
150 HD23 LEU 17 HD23 LEU 17 32.076 9.878 -3.163
151 H ASP 18 HN ASP 18 34.253 16.400 -2.887
152 HA ASP 18 HA ASP 18 33.264 17.765 -4.475
153 HB2 ASP 18 HB2 ASP 18 33.004 15.115 -5.952
154 HB3 ASP 18 HB1 ASP 18 32.784 16.722 -6.684
155 H HIS 19 HN HIS 19 31.294 14.930 -5.326
156 HA HIS 19 HA HIS 19 28.851 16.318 -5.416
157 HB2 HIS 19 HB2 HIS 19 29.191 13.410 -4.595
158 HB3 HIS 19 HB1 HIS 19 27.779 14.153 -5.382
159 HD1 HIS 19 HD1 HIS 19 30.800 12.297 -6.138
160 HD2 HIS 19 HD2 HIS 19 28.557 15.279 -8.079
161 HE1 HIS 19 HE1 HIS 19 31.496 12.294 -8.596
162 H LEU 20 HN LEU 20 29.847 14.073 -2.779
163 HA LEU 20 HA LEU 20 27.765 14.991 -1.016
164 HB2 LEU 20 HB2 LEU 20 29.263 12.798 -1.014
165 HB3 LEU 20 HB1 LEU 20 30.341 13.765 0.014
166 HG LEU 20 HG LEU 20 27.396 13.139 0.531
167 HD11 LEU 20 HD11 LEU 20 28.218 11.828 2.387
168 HD12 LEU 20 HD12 LEU 20 29.878 12.424 2.147
169 HD13 LEU 20 HD13 LEU 20 29.141 11.334 0.948
170 HD21 LEU 20 HD21 LEU 20 27.967 14.290 2.784
171 HD22 LEU 20 HD22 LEU 20 27.730 15.349 1.377
172 HD23 LEU 20 HD23 LEU 20 29.377 14.975 1.940
Start of MODEL 91
1 H1 TRP 1 HT1 TRP 1 50.151 18.079 -3.241
2 H2 TRP 1 HT2 TRP 1 51.625 18.041 -2.398
3 H3 TRP 1 HT3 TRP 1 50.319 17.089 -1.875
4 HA TRP 1 HA TRP 1 52.317 16.187 -3.344
5 HB2 TRP 1 HB2 TRP 1 49.415 15.283 -3.521
6 HB3 TRP 1 HB1 TRP 1 50.855 14.289 -3.850
7 HD1 TRP 1 HD1 TRP 1 48.825 15.813 -1.018
8 HE1 TRP 1 HE1 TRP 1 49.631 14.860 1.263
9 HE3 TRP 1 HE3 TRP 1 52.990 13.303 -2.619
10 HZ2 TRP 1 HZ2 TRP 1 51.799 13.229 2.228
11 HZ3 TRP 1 HZ3 TRP 1 54.412 12.055 -1.000
12 HH2 TRP 1 HH2 TRP 1 53.821 12.017 1.419
13 H LEU 2 HN LEU 2 52.055 15.025 -5.563
14 HA LEU 2 HA LEU 2 51.829 17.143 -7.545
15 HB2 LEU 2 HB2 LEU 2 52.012 14.168 -8.129
16 HB3 LEU 2 HB1 LEU 2 52.621 15.530 -9.099
17 HG LEU 2 HG LEU 2 53.659 14.640 -6.372
18 HD11 LEU 2 HD11 LEU 2 55.725 14.137 -7.664
19 HD12 LEU 2 HD12 LEU 2 54.888 14.603 -9.164
20 HD13 LEU 2 HD13 LEU 2 54.339 13.183 -8.243
21 HD21 LEU 2 HD21 LEU 2 53.895 17.020 -6.426
22 HD22 LEU 2 HD22 LEU 2 54.314 17.022 -8.156
23 HD23 LEU 2 HD23 LEU 2 55.473 16.396 -6.958
24 H ARG 3 HN ARG 3 49.646 14.925 -6.112
25 HA ARG 3 HA ARG 3 47.376 14.648 -6.434
26 HB2 ARG 3 HB2 ARG 3 47.574 17.141 -7.236
27 HB3 ARG 3 HB1 ARG 3 47.398 16.461 -8.869
28 HG2 ARG 3 HG2 ARG 3 45.281 15.371 -8.203
29 HG3 ARG 3 HG1 ARG 3 45.453 16.028 -6.556
30 HD2 ARG 3 HD2 ARG 3 45.385 18.327 -7.446
31 HD3 ARG 3 HD1 ARG 3 45.259 17.694 -9.106
32 HE ARG 3 HE ARG 3 43.091 17.837 -7.149
33 HH11 ARG 3 HH11 ARG 3 43.030 18.076 -10.225
34 HH12 ARG 3 HH12 ARG 3 42.104 16.671 -10.632
35 HH21 ARG 3 HH21 ARG 3 42.473 15.198 -7.514
36 HH22 ARG 3 HH22 ARG 3 41.789 15.041 -9.097
37 H ARG 4 HN ARG 4 49.451 14.605 -9.314
38 HA ARG 4 HA ARG 4 47.679 12.782 -10.773
39 HB2 ARG 4 HB2 ARG 4 50.543 13.704 -11.216
40 HB3 ARG 4 HB1 ARG 4 49.671 12.614 -12.321
41 HG2 ARG 4 HG2 ARG 4 47.967 14.294 -12.739
42 HG3 ARG 4 HG1 ARG 4 48.647 15.362 -11.487
43 HD2 ARG 4 HD2 ARG 4 50.724 15.605 -12.779
44 HD3 ARG 4 HD1 ARG 4 50.114 14.473 -14.010
45 HE ARG 4 HE ARG 4 48.898 16.273 -14.919
46 HH11 ARG 4 HH11 ARG 4 50.680 18.259 -13.612
47 HH12 ARG 4 HH12 ARG 4 49.566 19.227 -12.706
48 HH21 ARG 4 HH21 ARG 4 46.996 16.905 -12.883
49 HH22 ARG 4 HH22 ARG 4 47.479 18.460 -12.293
50 H ILE 5 HN ILE 5 50.157 12.519 -8.365
51 HA ILE 5 HA ILE 5 49.943 9.545 -8.502
52 HB ILE 5 HB ILE 5 52.675 10.886 -8.289
53 HG12 ILE 5 HG12 ILE 5 51.263 9.730 -10.739
54 HG13 ILE 5 HG11 ILE 5 51.802 11.410 -10.512
55 HG21 ILE 5 HG21 ILE 5 52.201 8.525 -7.372
56 HG22 ILE 5 HG22 ILE 5 53.525 8.660 -8.551
57 HG23 ILE 5 HG23 ILE 5 51.938 8.033 -9.061
58 HD11 ILE 5 HD1 ILE 5 53.510 10.431 -11.839
59 HD12 ILE 5 HD2 ILE 5 53.494 8.919 -10.902
60 HD13 ILE 5 HD3 ILE 5 54.180 10.400 -10.190
61 H GLY 6 HN GLY 6 48.577 10.415 -6.634
62 HA2 GLY 6 HA1 GLY 6 49.776 9.703 -4.200
63 HA3 GLY 6 HA2 GLY 6 49.927 11.468 -4.314
64 H LYS 7 HN LYS 7 47.615 12.235 -5.533
65 HA LYS 7 HA LYS 7 45.435 12.790 -4.965
66 HB2 LYS 7 HB2 LYS 7 45.213 9.865 -4.160
67 HB3 LYS 7 HB1 LYS 7 43.893 10.950 -4.657
68 HG2 LYS 7 HG2 LYS 7 44.976 11.206 -6.892
69 HG3 LYS 7 HG1 LYS 7 46.237 10.052 -6.391
70 HD2 LYS 7 HD2 LYS 7 44.595 8.279 -6.121
71 HD3 LYS 7 HD1 LYS 7 43.255 9.419 -6.405
72 HE2 LYS 7 HE2 LYS 7 44.081 9.833 -8.699
73 HE3 LYS 7 HE1 LYS 7 45.431 8.706 -8.421
74 HZ1 LYS 7 HZ1 LYS 7 43.906 7.334 -9.399
75 HZ2 LYS 7 HZ2 LYS 7 42.562 8.144 -8.747
76 HZ3 LYS 7 HZ3 LYS 7 43.488 7.106 -7.771
77 H GLY 8 HN GLY 8 43.714 12.656 -3.157
78 HA2 GLY 8 HA1 GLY 8 44.300 11.914 -0.523
79 HA3 GLY 8 HA2 GLY 8 45.009 13.528 -0.727
80 H VAL 9 HN VAL 9 42.846 12.747 1.040
81 HA VAL 9 HA VAL 9 40.345 13.650 -0.149
82 HB VAL 9 HB VAL 9 39.517 13.670 2.203
83 HG11 VAL 9 HG11 VAL 9 39.489 11.569 0.934
84 HG12 VAL 9 HG12 VAL 9 39.903 11.234 2.633
85 HG13 VAL 9 HG13 VAL 9 41.178 11.244 1.390
86 HG21 VAL 9 HG21 VAL 9 42.435 13.008 2.806
87 HG22 VAL 9 HG22 VAL 9 41.104 12.838 3.976
88 HG23 VAL 9 HG23 VAL 9 41.534 14.447 3.345
89 H LYS 10 HN LYS 10 42.936 15.392 -0.032
90 HA LYS 10 HA LYS 10 42.105 17.695 1.580
91 HB2 LYS 10 HB2 LYS 10 44.209 17.456 -0.611
92 HB3 LYS 10 HB1 LYS 10 44.038 18.805 0.537
93 HG2 LYS 10 HG2 LYS 10 44.634 17.442 2.406
94 HG3 LYS 10 HG1 LYS 10 44.410 15.936 1.485
95 HD2 LYS 10 HD2 LYS 10 46.806 16.413 1.716
96 HD3 LYS 10 HD1 LYS 10 46.321 16.578 0.012
97 HE2 LYS 10 HE2 LYS 10 46.363 18.959 0.116
98 HE3 LYS 10 HE1 LYS 10 46.383 18.967 1.896
99 HZ1 LYS 10 HZ1 LYS 10 48.562 18.987 0.168
100 HZ2 LYS 10 HZ2 LYS 10 48.564 17.461 0.915
101 HZ3 LYS 10 HZ3 LYS 10 48.581 18.872 1.860
102 H ILE 11 HN ILE 11 41.305 16.398 -1.465
103 HA ILE 11 HA ILE 11 40.056 19.017 -2.306
104 HB ILE 11 HB ILE 11 41.058 16.871 -4.224
105 HG12 ILE 11 HG12 ILE 11 42.837 18.909 -4.632
106 HG13 ILE 11 HG11 ILE 11 42.553 19.151 -2.895
107 HG21 ILE 11 HG21 ILE 11 39.277 18.406 -5.014
108 HG22 ILE 11 HG22 ILE 11 40.808 18.701 -5.873
109 HG23 ILE 11 HG23 ILE 11 40.288 19.805 -4.577
110 HD11 ILE 11 HD1 ILE 11 43.689 16.721 -4.320
111 HD12 ILE 11 HD2 ILE 11 42.993 16.578 -2.691
112 HD13 ILE 11 HD3 ILE 11 44.385 17.648 -2.971
113 H ILE 12 HN ILE 12 40.014 15.462 -2.438
114 HA ILE 12 HA ILE 12 37.325 15.328 -3.563
115 HB ILE 12 HB ILE 12 39.045 13.306 -2.099
116 HG12 ILE 12 HG12 ILE 12 38.573 13.328 -5.110
117 HG13 ILE 12 HG11 ILE 12 39.799 14.406 -4.408
118 HG21 ILE 12 HG21 ILE 12 37.479 11.689 -3.544
119 HG22 ILE 12 HG22 ILE 12 36.374 13.080 -3.531
120 HG23 ILE 12 HG23 ILE 12 36.896 12.340 -1.999
121 HD11 ILE 12 HD1 ILE 12 40.879 12.331 -5.078
122 HD12 ILE 12 HD2 ILE 12 39.701 11.364 -4.165
123 HD13 ILE 12 HD3 ILE 12 40.857 12.405 -3.302
124 H GLY 13 HN GLY 13 38.202 13.509 -0.652
125 HA2 GLY 13 HA1 GLY 13 35.714 14.045 0.658
126 HA3 GLY 13 HA2 GLY 13 37.192 13.426 1.431
127 H GLY 14 HN GLY 14 38.244 15.897 -0.204
128 HA2 GLY 14 HA1 GLY 14 38.319 17.722 2.129
129 HA3 GLY 14 HA2 GLY 14 39.178 17.914 0.584
130 H ALA 15 HN ALA 15 37.124 17.697 -1.267
131 HA ALA 15 HA ALA 15 35.701 20.287 -0.747
132 HB1 ALA 15 HB1 ALA 15 36.842 19.872 -2.945
133 HB2 ALA 15 HB2 ALA 15 35.100 20.191 -3.099
134 HB3 ALA 15 HB3 ALA 15 35.713 18.526 -3.232
135 H ALA 16 HN ALA 16 35.200 17.797 0.709
136 HA ALA 16 HA ALA 16 33.334 16.768 1.593
137 HB1 ALA 16 HB1 ALA 16 31.186 17.648 1.266
138 HB2 ALA 16 HB2 ALA 16 31.509 18.100 -0.424
139 HB3 ALA 16 HB3 ALA 16 32.223 19.046 0.903
140 H LEU 17 HN LEU 17 34.964 15.471 -0.211
141 HA LEU 17 HA LEU 17 34.941 13.569 -1.546
142 HB2 LEU 17 HB2 LEU 17 31.927 13.411 -1.161
143 HB3 LEU 17 HB1 LEU 17 33.035 12.096 -1.587
144 HG LEU 17 HG LEU 17 33.431 13.600 1.030
145 HD11 LEU 17 HD11 LEU 17 31.076 12.968 1.088
146 HD12 LEU 17 HD12 LEU 17 32.000 11.860 2.132
147 HD13 LEU 17 HD13 LEU 17 31.467 11.327 0.519
148 HD21 LEU 17 HD21 LEU 17 34.536 11.588 1.715
149 HD22 LEU 17 HD22 LEU 17 35.081 11.862 0.045
150 HD23 LEU 17 HD23 LEU 17 33.828 10.648 0.382
151 H ASP 18 HN ASP 18 33.913 16.425 -2.415
152 HA ASP 18 HA ASP 18 33.355 17.419 -4.428
153 HB2 ASP 18 HB2 ASP 18 35.286 16.019 -5.209
154 HB3 ASP 18 HB1 ASP 18 34.126 14.751 -5.674
155 H HIS 19 HN HIS 19 32.469 14.073 -5.363
156 HA HIS 19 HA HIS 19 29.607 14.612 -4.990
157 HB2 HIS 19 HB2 HIS 19 30.182 15.826 -7.137
158 HB3 HIS 19 HB1 HIS 19 30.640 14.252 -7.829
159 HD1 HIS 19 HD1 HIS 19 28.804 13.004 -8.964
160 HD2 HIS 19 HD2 HIS 19 27.335 15.638 -6.034
161 HE1 HIS 19 HE1 HIS 19 26.252 12.916 -9.070
162 H LEU 20 HN LEU 20 31.636 12.655 -4.151
163 HA LEU 20 HA LEU 20 30.656 10.175 -5.556
164 HB2 LEU 20 HB2 LEU 20 32.939 10.383 -3.561
165 HB3 LEU 20 HB1 LEU 20 32.601 9.079 -4.724
166 HG LEU 20 HG LEU 20 33.425 11.937 -5.404
167 HD11 LEU 20 HD11 LEU 20 35.504 10.924 -6.166
168 HD12 LEU 20 HD12 LEU 20 34.876 9.291 -5.838
169 HD13 LEU 20 HD13 LEU 20 35.209 10.404 -4.489
170 HD21 LEU 20 HD21 LEU 20 32.578 9.561 -7.112
171 HD22 LEU 20 HD22 LEU 20 33.619 10.852 -7.761
172 HD23 LEU 20 HD23 LEU 20 31.986 11.238 -7.175
Start of MODEL 92
1 H1 TRP 1 HT1 TRP 1 49.986 17.774 14.366
2 H2 TRP 1 HT2 TRP 1 49.371 16.228 14.717
3 H3 TRP 1 HT3 TRP 1 48.316 17.494 14.303
4 HA TRP 1 HA TRP 1 49.695 17.583 12.154
5 HB2 TRP 1 HB2 TRP 1 50.120 14.746 13.174
6 HB3 TRP 1 HB1 TRP 1 50.437 15.289 11.508
7 HD1 TRP 1 HD1 TRP 1 51.722 15.635 15.089
8 HE1 TRP 1 HE1 TRP 1 54.099 16.687 15.070
9 HE3 TRP 1 HE3 TRP 1 52.031 16.839 10.123
10 HZ2 TRP 1 HZ2 TRP 1 55.870 17.882 13.138
11 HZ3 TRP 1 HZ3 TRP 1 54.075 17.934 9.213
12 HH2 TRP 1 HH2 TRP 1 55.992 18.456 10.716
13 H LEU 2 HN LEU 2 47.479 18.184 11.869
14 HA LEU 2 HA LEU 2 45.385 17.853 10.951
15 HB2 LEU 2 HB2 LEU 2 46.227 15.010 10.300
16 HB3 LEU 2 HB1 LEU 2 45.020 16.016 9.473
17 HG LEU 2 HG LEU 2 48.023 16.558 9.572
18 HD11 LEU 2 HD11 LEU 2 47.440 14.655 8.129
19 HD12 LEU 2 HD12 LEU 2 47.894 16.056 7.132
20 HD13 LEU 2 HD13 LEU 2 46.178 15.623 7.330
21 HD21 LEU 2 HD21 LEU 2 45.658 18.071 8.391
22 HD22 LEU 2 HD22 LEU 2 47.304 18.267 7.741
23 HD23 LEU 2 HD23 LEU 2 46.962 18.689 9.433
24 H ARG 3 HN ARG 3 46.538 16.022 13.550
25 HA ARG 3 HA ARG 3 45.462 15.019 15.326
26 HB2 ARG 3 HB2 ARG 3 42.852 16.097 14.223
27 HB3 ARG 3 HB1 ARG 3 43.270 15.730 15.913
28 HG2 ARG 3 HG2 ARG 3 45.101 17.505 15.723
29 HG3 ARG 3 HG1 ARG 3 44.365 17.975 14.172
30 HD2 ARG 3 HD2 ARG 3 42.164 18.259 15.401
31 HD3 ARG 3 HD1 ARG 3 43.054 18.012 16.921
32 HE ARG 3 HE ARG 3 44.230 20.104 15.255
33 HH11 ARG 3 HH11 ARG 3 44.013 19.992 18.300
34 HH12 ARG 3 HH12 ARG 3 42.902 21.286 18.602
35 HH21 ARG 3 HH21 ARG 3 41.832 21.486 15.309
36 HH22 ARG 3 HH22 ARG 3 41.668 22.134 16.907
37 H ARG 4 HN ARG 4 44.589 14.273 12.089
38 HA ARG 4 HA ARG 4 43.566 11.597 13.001
39 HB2 ARG 4 HB2 ARG 4 42.393 13.351 10.804
40 HB3 ARG 4 HB1 ARG 4 41.946 11.654 11.106
41 HG2 ARG 4 HG2 ARG 4 41.188 12.223 13.372
42 HG3 ARG 4 HG1 ARG 4 41.704 13.911 13.143
43 HD2 ARG 4 HD2 ARG 4 39.228 13.532 12.773
44 HD3 ARG 4 HD1 ARG 4 40.072 14.242 11.376
45 HE ARG 4 HE ARG 4 40.062 11.379 11.133
46 HH11 ARG 4 HH11 ARG 4 37.629 10.631 11.175
47 HH12 ARG 4 HH12 ARG 4 36.682 11.469 9.990
48 HH21 ARG 4 HH21 ARG 4 39.017 13.986 9.517
49 HH22 ARG 4 HH22 ARG 4 37.468 13.368 9.051
50 H ILE 5 HN ILE 5 45.879 13.333 11.384
51 HA ILE 5 HA ILE 5 47.412 12.800 9.722
52 HB ILE 5 HB ILE 5 46.757 9.886 10.337
53 HG12 ILE 5 HG12 ILE 5 48.477 11.866 11.903
54 HG13 ILE 5 HG11 ILE 5 46.990 11.073 12.473
55 HG21 ILE 5 HG21 ILE 5 48.377 10.580 8.456
56 HG22 ILE 5 HG22 ILE 5 49.027 9.478 9.690
57 HG23 ILE 5 HG23 ILE 5 49.435 11.210 9.739
58 HD11 ILE 5 HD1 ILE 5 49.705 9.829 11.926
59 HD12 ILE 5 HD2 ILE 5 48.229 8.834 11.987
60 HD13 ILE 5 HD3 ILE 5 48.736 9.768 13.415
61 H GLY 6 HN GLY 6 45.904 13.667 8.124
62 HA2 GLY 6 HA1 GLY 6 45.276 13.376 5.868
63 HA3 GLY 6 HA2 GLY 6 45.293 11.613 6.075
64 H LYS 7 HN LYS 7 43.545 14.533 7.206
65 HA LYS 7 HA LYS 7 41.217 13.302 8.146
66 HB2 LYS 7 HB2 LYS 7 40.055 15.428 7.549
67 HB3 LYS 7 HB1 LYS 7 41.608 15.698 8.375
68 HG2 LYS 7 HG2 LYS 7 42.680 15.940 6.085
69 HG3 LYS 7 HG1 LYS 7 41.041 15.911 5.389
70 HD2 LYS 7 HD2 LYS 7 40.444 17.840 6.916
71 HD3 LYS 7 HD1 LYS 7 42.160 17.931 7.377
72 HE2 LYS 7 HE2 LYS 7 42.747 18.211 4.949
73 HE3 LYS 7 HE1 LYS 7 41.009 18.261 4.573
74 HZ1 LYS 7 HZ1 LYS 7 40.749 20.268 5.634
75 HZ2 LYS 7 HZ2 LYS 7 42.311 20.451 4.990
76 HZ3 LYS 7 HZ3 LYS 7 42.106 20.063 6.632
77 H GLY 8 HN GLY 8 42.387 13.463 4.885
78 HA2 GLY 8 HA1 GLY 8 40.495 11.622 3.898
79 HA3 GLY 8 HA2 GLY 8 39.855 13.236 3.539
80 H VAL 9 HN VAL 9 40.507 14.252 1.759
81 HA VAL 9 HA VAL 9 43.103 13.437 0.494
82 HB VAL 9 HB VAL 9 40.465 13.627 -1.033
83 HG11 VAL 9 HG11 VAL 9 41.936 12.521 -2.822
84 HG12 VAL 9 HG12 VAL 9 43.331 12.934 -1.798
85 HG13 VAL 9 HG13 VAL 9 42.300 14.224 -2.463
86 HG21 VAL 9 HG21 VAL 9 42.113 11.199 -0.192
87 HG22 VAL 9 HG22 VAL 9 40.721 11.157 -1.301
88 HG23 VAL 9 HG23 VAL 9 40.490 11.625 0.400
89 H LYS 10 HN LYS 10 40.752 15.748 1.378
90 HA LYS 10 HA LYS 10 40.824 18.058 1.298
91 HB2 LYS 10 HB2 LYS 10 43.402 17.605 1.329
92 HB3 LYS 10 HB1 LYS 10 43.336 18.001 -0.404
93 HG2 LYS 10 HG2 LYS 10 42.050 20.143 0.334
94 HG3 LYS 10 HG1 LYS 10 42.645 19.771 1.970
95 HD2 LYS 10 HD2 LYS 10 44.977 19.733 1.086
96 HD3 LYS 10 HD1 LYS 10 44.356 20.176 -0.521
97 HE2 LYS 10 HE2 LYS 10 43.344 22.243 0.504
98 HE3 LYS 10 HE1 LYS 10 44.140 21.821 2.038
99 HZ1 LYS 10 HZ1 LYS 10 46.038 22.656 1.290
100 HZ2 LYS 10 HZ2 LYS 10 45.228 23.215 -0.095
101 HZ3 LYS 10 HZ3 LYS 10 45.990 21.696 -0.107
102 H ILE 11 HN ILE 11 41.042 16.073 -1.516
103 HA ILE 11 HA ILE 11 39.862 18.277 -3.213
104 HB ILE 11 HB ILE 11 41.199 15.739 -4.218
105 HG12 ILE 11 HG12 ILE 11 42.422 18.483 -3.671
106 HG13 ILE 11 HG11 ILE 11 42.853 16.952 -2.874
107 HG21 ILE 11 HG21 ILE 11 40.861 18.448 -5.575
108 HG22 ILE 11 HG22 ILE 11 39.630 17.168 -5.686
109 HG23 ILE 11 HG23 ILE 11 41.265 16.886 -6.326
110 HD11 ILE 11 HD1 ILE 11 43.391 16.085 -5.272
111 HD12 ILE 11 HD2 ILE 11 44.532 17.231 -4.530
112 HD13 ILE 11 HD3 ILE 11 43.365 17.801 -5.744
113 H ILE 12 HN ILE 12 39.797 14.735 -2.592
114 HA ILE 12 HA ILE 12 37.143 14.570 -3.944
115 HB ILE 12 HB ILE 12 38.902 12.414 -2.717
116 HG12 ILE 12 HG12 ILE 12 38.540 13.157 -5.663
117 HG13 ILE 12 HG11 ILE 12 39.910 13.697 -4.669
118 HG21 ILE 12 HG21 ILE 12 36.342 12.367 -4.371
119 HG22 ILE 12 HG22 ILE 12 36.701 11.507 -2.855
120 HG23 ILE 12 HG23 ILE 12 37.449 10.977 -4.369
121 HD11 ILE 12 HD1 ILE 12 39.311 10.952 -5.768
122 HD12 ILE 12 HD2 ILE 12 40.098 11.033 -4.174
123 HD13 ILE 12 HD3 ILE 12 40.870 11.786 -5.586
124 H GLY 13 HN GLY 13 37.910 12.342 -1.343
125 HA2 GLY 13 HA1 GLY 13 35.466 12.768 0.037
126 HA3 GLY 13 HA2 GLY 13 36.934 12.052 0.742
127 H GLY 14 HN GLY 14 38.104 14.672 -0.438
128 HA2 GLY 14 HA1 GLY 14 38.037 16.184 2.095
129 HA3 GLY 14 HA2 GLY 14 39.011 16.535 0.652
130 H ALA 15 HN ALA 15 37.178 16.673 -1.393
131 HA ALA 15 HA ALA 15 35.766 19.199 -0.635
132 HB1 ALA 15 HB1 ALA 15 37.033 18.875 -2.825
133 HB2 ALA 15 HB2 ALA 15 35.368 19.482 -2.969
134 HB3 ALA 15 HB3 ALA 15 35.723 17.774 -3.315
135 H ALA 16 HN ALA 16 35.064 16.624 0.539
136 HA ALA 16 HA ALA 16 33.102 15.626 1.224
137 HB1 ALA 16 HB1 ALA 16 31.021 16.626 0.835
138 HB2 ALA 16 HB2 ALA 16 31.467 17.180 -0.795
139 HB3 ALA 16 HB3 ALA 16 32.135 17.998 0.636
140 H LEU 17 HN LEU 17 34.812 14.445 -0.661
141 HA LEU 17 HA LEU 17 34.780 12.706 -2.212
142 HB2 LEU 17 HB2 LEU 17 32.994 11.917 -0.501
143 HB3 LEU 17 HB1 LEU 17 31.800 12.430 -1.714
144 HG LEU 17 HG LEU 17 33.326 10.955 -3.367
145 HD11 LEU 17 HD11 LEU 17 35.018 10.485 -1.533
146 HD12 LEU 17 HD12 LEU 17 34.333 9.026 -2.282
147 HD13 LEU 17 HD13 LEU 17 33.757 9.562 -0.687
148 HD21 LEU 17 HD21 LEU 17 31.900 8.957 -2.782
149 HD22 LEU 17 HD22 LEU 17 30.974 10.469 -2.945
150 HD23 LEU 17 HD23 LEU 17 31.354 9.827 -1.329
151 H ASP 18 HN ASP 18 34.758 15.136 -3.368
152 HA ASP 18 HA ASP 18 34.238 16.225 -5.347
153 HB2 ASP 18 HB2 ASP 18 34.863 13.951 -6.247
154 HB3 ASP 18 HB1 ASP 18 33.133 13.537 -6.246
155 H HIS 19 HN HIS 19 32.309 16.281 -3.204
156 HA HIS 19 HA HIS 19 30.116 16.930 -2.831
157 HB2 HIS 19 HB2 HIS 19 30.139 17.635 -5.793
158 HB3 HIS 19 HB1 HIS 19 29.055 18.294 -4.544
159 HD1 HIS 19 HD1 HIS 19 31.861 19.336 -6.377
160 HD2 HIS 19 HD2 HIS 19 30.997 19.327 -2.261
161 HE1 HIS 19 HE1 HIS 19 33.403 21.048 -5.272
162 H LEU 20 HN LEU 20 30.539 14.178 -3.380
163 HA LEU 20 HA LEU 20 29.368 12.270 -3.965
164 HB2 LEU 20 HB2 LEU 20 27.737 13.096 -2.393
165 HB3 LEU 20 HB1 LEU 20 27.090 14.251 -3.578
166 HG LEU 20 HG LEU 20 26.161 12.464 -4.928
167 HD11 LEU 20 HD11 LEU 20 26.412 10.040 -4.034
168 HD12 LEU 20 HD12 LEU 20 27.784 10.665 -3.088
169 HD13 LEU 20 HD13 LEU 20 27.816 10.748 -4.866
170 HD21 LEU 20 HD21 LEU 20 25.652 11.748 -2.010
171 HD22 LEU 20 HD22 LEU 20 24.538 11.543 -3.382
172 HD23 LEU 20 HD23 LEU 20 24.956 13.177 -2.812
Start of MODEL 93
1 H1 TRP 1 HT1 TRP 1 38.181 2.799 5.955
2 H2 TRP 1 HT2 TRP 1 37.882 3.420 4.401
3 H3 TRP 1 HT3 TRP 1 37.877 4.454 5.749
4 HA TRP 1 HA TRP 1 40.143 3.127 4.439
5 HB2 TRP 1 HB2 TRP 1 39.460 5.990 5.213
6 HB3 TRP 1 HB1 TRP 1 41.042 5.481 4.577
7 HD1 TRP 1 HD1 TRP 1 40.897 4.143 2.120
8 HE1 TRP 1 HE1 TRP 1 39.432 4.704 0.046
9 HE3 TRP 1 HE3 TRP 1 37.321 7.005 4.408
10 HZ2 TRP 1 HZ2 TRP 1 37.034 6.198 -0.510
11 HZ3 TRP 1 HZ3 TRP 1 35.454 7.988 3.086
12 HH2 TRP 1 HH2 TRP 1 35.307 7.588 0.632
13 H LEU 2 HN LEU 2 42.176 3.157 5.481
14 HA LEU 2 HA LEU 2 42.024 2.523 8.300
15 HB2 LEU 2 HB2 LEU 2 44.568 3.198 6.786
16 HB3 LEU 2 HB1 LEU 2 44.350 2.071 8.147
17 HG LEU 2 HG LEU 2 43.300 1.733 5.304
18 HD11 LEU 2 HD11 LEU 2 45.264 0.082 6.953
19 HD12 LEU 2 HD12 LEU 2 45.733 1.264 5.708
20 HD13 LEU 2 HD13 LEU 2 44.813 -0.190 5.254
21 HD21 LEU 2 HD21 LEU 2 41.604 0.816 6.730
22 HD22 LEU 2 HD22 LEU 2 42.807 0.152 7.863
23 HD23 LEU 2 HD23 LEU 2 42.606 -0.572 6.248
24 H ARG 3 HN ARG 3 41.999 5.446 6.668
25 HA ARG 3 HA ARG 3 42.064 7.616 7.459
26 HB2 ARG 3 HB2 ARG 3 41.246 6.458 9.659
27 HB3 ARG 3 HB1 ARG 3 42.921 6.672 10.218
28 HG2 ARG 3 HG2 ARG 3 42.726 9.126 9.628
29 HG3 ARG 3 HG1 ARG 3 40.997 8.853 9.307
30 HD2 ARG 3 HD2 ARG 3 42.375 8.203 11.948
31 HD3 ARG 3 HD1 ARG 3 41.456 9.694 11.636
32 HE ARG 3 HE ARG 3 39.692 7.646 10.966
33 HH11 ARG 3 HH11 ARG 3 38.064 8.217 12.719
34 HH12 ARG 3 HH12 ARG 3 38.516 7.670 14.299
35 HH21 ARG 3 HH21 ARG 3 41.818 7.060 13.431
36 HH22 ARG 3 HH22 ARG 3 40.642 7.015 14.702
37 H ARG 4 HN ARG 4 44.613 5.937 9.383
38 HA ARG 4 HA ARG 4 46.530 8.011 9.085
39 HB2 ARG 4 HB2 ARG 4 48.211 6.190 9.605
40 HB3 ARG 4 HB1 ARG 4 46.859 6.314 10.757
41 HG2 ARG 4 HG2 ARG 4 45.732 4.427 9.766
42 HG3 ARG 4 HG1 ARG 4 46.861 4.396 8.391
43 HD2 ARG 4 HD2 ARG 4 47.342 2.649 10.155
44 HD3 ARG 4 HD1 ARG 4 48.704 3.749 9.834
45 HE ARG 4 HE ARG 4 47.290 4.926 11.948
46 HH11 ARG 4 HH11 ARG 4 50.058 4.193 12.421
47 HH12 ARG 4 HH12 ARG 4 49.956 2.887 13.554
48 HH21 ARG 4 HH21 ARG 4 46.606 2.248 12.916
49 HH22 ARG 4 HH22 ARG 4 48.000 1.785 13.833
50 H ILE 5 HN ILE 5 45.324 5.774 6.782
51 HA ILE 5 HA ILE 5 47.634 5.413 5.145
52 HB ILE 5 HB ILE 5 45.582 4.095 4.801
53 HG12 ILE 5 HG12 ILE 5 45.391 4.235 2.364
54 HG13 ILE 5 HG11 ILE 5 46.064 5.878 2.360
55 HG21 ILE 5 HG21 ILE 5 44.318 6.668 3.773
56 HG22 ILE 5 HG22 ILE 5 44.041 6.013 5.405
57 HG23 ILE 5 HG23 ILE 5 43.534 5.083 3.975
58 HD11 ILE 5 HD1 ILE 5 47.647 3.851 1.799
59 HD12 ILE 5 HD2 ILE 5 47.651 3.580 3.558
60 HD13 ILE 5 HD3 ILE 5 48.242 5.123 2.891
61 H GLY 6 HN GLY 6 45.364 8.074 5.535
62 HA2 GLY 6 HA1 GLY 6 47.108 9.999 4.402
63 HA3 GLY 6 HA2 GLY 6 45.985 9.486 3.127
64 H LYS 7 HN LYS 7 44.081 8.909 5.557
65 HA LYS 7 HA LYS 7 42.338 10.028 6.573
66 HB2 LYS 7 HB2 LYS 7 44.422 11.269 7.560
67 HB3 LYS 7 HB1 LYS 7 43.947 12.603 6.488
68 HG2 LYS 7 HG2 LYS 7 41.633 12.508 7.517
69 HG3 LYS 7 HG1 LYS 7 42.255 11.307 8.672
70 HD2 LYS 7 HD2 LYS 7 44.039 12.985 9.326
71 HD3 LYS 7 HD1 LYS 7 43.191 14.185 8.322
72 HE2 LYS 7 HE2 LYS 7 41.168 13.957 9.669
73 HE3 LYS 7 HE1 LYS 7 41.898 12.634 10.609
74 HZ1 LYS 7 HZ1 LYS 7 43.717 14.356 11.112
75 HZ2 LYS 7 HZ2 LYS 7 42.233 14.491 11.928
76 HZ3 LYS 7 HZ3 LYS 7 42.581 15.512 10.615
77 H GLY 8 HN GLY 8 42.295 13.174 5.957
78 HA2 GLY 8 HA1 GLY 8 40.351 12.879 3.788
79 HA3 GLY 8 HA2 GLY 8 40.807 14.376 4.624
80 H VAL 9 HN VAL 9 40.696 13.032 1.687
81 HA VAL 9 HA VAL 9 43.296 13.429 0.580
82 HB VAL 9 HB VAL 9 40.626 13.893 -0.822
83 HG11 VAL 9 HG11 VAL 9 42.488 14.652 -2.168
84 HG12 VAL 9 HG12 VAL 9 41.993 13.065 -2.800
85 HG13 VAL 9 HG13 VAL 9 43.439 13.201 -1.773
86 HG21 VAL 9 HG21 VAL 9 40.637 11.704 0.307
87 HG22 VAL 9 HG22 VAL 9 42.235 11.335 -0.385
88 HG23 VAL 9 HG23 VAL 9 40.816 11.482 -1.450
89 H LYS 10 HN LYS 10 40.914 15.639 1.722
90 HA LYS 10 HA LYS 10 40.964 17.938 1.931
91 HB2 LYS 10 HB2 LYS 10 43.506 17.488 2.187
92 HB3 LYS 10 HB1 LYS 10 43.642 18.041 0.501
93 HG2 LYS 10 HG2 LYS 10 42.286 20.122 1.272
94 HG3 LYS 10 HG1 LYS 10 42.672 19.598 2.927
95 HD2 LYS 10 HD2 LYS 10 44.687 20.188 0.714
96 HD3 LYS 10 HD1 LYS 10 44.343 21.230 2.115
97 HE2 LYS 10 HE2 LYS 10 45.649 18.486 2.081
98 HE3 LYS 10 HE1 LYS 10 46.301 20.012 2.722
99 HZ1 LYS 10 HZ1 LYS 10 44.117 18.340 3.837
100 HZ2 LYS 10 HZ2 LYS 10 44.356 19.953 4.316
101 HZ3 LYS 10 HZ3 LYS 10 45.574 18.796 4.576
102 H ILE 11 HN ILE 11 41.603 16.416 -1.146
103 HA ILE 11 HA ILE 11 40.523 18.838 -2.588
104 HB ILE 11 HB ILE 11 41.991 16.487 -3.831
105 HG12 ILE 11 HG12 ILE 11 43.125 19.098 -2.727
106 HG13 ILE 11 HG11 ILE 11 43.480 17.456 -2.139
107 HG21 ILE 11 HG21 ILE 11 40.574 18.146 -5.208
108 HG22 ILE 11 HG22 ILE 11 42.269 17.951 -5.709
109 HG23 ILE 11 HG23 ILE 11 41.779 19.379 -4.766
110 HD11 ILE 11 HD1 ILE 11 45.325 17.978 -3.540
111 HD12 ILE 11 HD2 ILE 11 44.290 18.738 -4.770
112 HD13 ILE 11 HD3 ILE 11 44.281 16.968 -4.568
113 H ILE 12 HN ILE 12 40.467 15.237 -2.584
114 HA ILE 12 HA ILE 12 37.991 15.288 -4.230
115 HB ILE 12 HB ILE 12 39.573 12.943 -3.107
116 HG12 ILE 12 HG12 ILE 12 39.700 14.225 -5.880
117 HG13 ILE 12 HG11 ILE 12 40.920 14.438 -4.606
118 HG21 ILE 12 HG21 ILE 12 37.251 12.374 -3.792
119 HG22 ILE 12 HG22 ILE 12 38.419 11.660 -4.915
120 HG23 ILE 12 HG23 ILE 12 37.527 13.128 -5.375
121 HD11 ILE 12 HD1 ILE 12 40.300 11.983 -6.263
122 HD12 ILE 12 HD2 ILE 12 40.958 11.766 -4.622
123 HD13 ILE 12 HD3 ILE 12 41.874 12.687 -5.836
124 H GLY 13 HN GLY 13 38.414 12.695 -1.905
125 HA2 GLY 13 HA1 GLY 13 35.807 12.980 -0.813
126 HA3 GLY 13 HA2 GLY 13 37.160 12.123 -0.037
127 H GLY 14 HN GLY 14 38.472 14.878 -0.663
128 HA2 GLY 14 HA1 GLY 14 38.117 15.991 2.038
129 HA3 GLY 14 HA2 GLY 14 39.247 16.540 0.783
130 H ALA 15 HN ALA 15 37.637 16.992 -1.419
131 HA ALA 15 HA ALA 15 36.183 19.422 -0.460
132 HB1 ALA 15 HB1 ALA 15 36.381 18.294 -3.276
133 HB2 ALA 15 HB2 ALA 15 37.569 19.417 -2.562
134 HB3 ALA 15 HB3 ALA 15 35.885 19.933 -2.800
135 H ALA 16 HN ALA 16 35.350 16.742 0.349
136 HA ALA 16 HA ALA 16 33.331 15.719 0.768
137 HB1 ALA 16 HB1 ALA 16 31.876 17.529 -1.172
138 HB2 ALA 16 HB2 ALA 16 32.443 18.163 0.390
139 HB3 ALA 16 HB3 ALA 16 31.298 16.802 0.345
140 H LEU 17 HN LEU 17 35.218 14.888 -1.251
141 HA LEU 17 HA LEU 17 35.299 13.448 -3.074
142 HB2 LEU 17 HB2 LEU 17 33.506 12.397 -1.314
143 HB3 LEU 17 HB1 LEU 17 32.440 12.569 -2.721
144 HG LEU 17 HG LEU 17 35.133 11.118 -2.714
145 HD11 LEU 17 HD11 LEU 17 33.526 9.846 -1.427
146 HD12 LEU 17 HD12 LEU 17 33.637 9.092 -3.036
147 HD13 LEU 17 HD13 LEU 17 32.250 10.134 -2.634
148 HD21 LEU 17 HD21 LEU 17 32.941 11.383 -4.825
149 HD22 LEU 17 HD22 LEU 17 34.354 10.310 -4.951
150 HD23 LEU 17 HD23 LEU 17 34.580 12.074 -4.915
151 H ASP 18 HN ASP 18 34.593 16.134 -3.625
152 HA ASP 18 HA ASP 18 33.804 17.427 -5.374
153 HB2 ASP 18 HB2 ASP 18 34.973 15.586 -6.676
154 HB3 ASP 18 HB1 ASP 18 33.381 14.816 -6.872
155 H HIS 19 HN HIS 19 31.891 15.391 -3.641
156 HA HIS 19 HA HIS 19 29.481 16.827 -4.292
157 HB2 HIS 19 HB2 HIS 19 29.577 15.339 -6.299
158 HB3 HIS 19 HB1 HIS 19 29.557 13.927 -5.216
159 HD1 HIS 19 HD1 HIS 19 27.310 13.067 -4.527
160 HD2 HIS 19 HD2 HIS 19 27.148 17.069 -5.808
161 HE1 HIS 19 HE1 HIS 19 24.848 13.751 -4.583
162 H LEU 20 HN LEU 20 30.015 13.375 -3.488
163 HA LEU 20 HA LEU 20 28.210 13.312 -1.326
164 HB2 LEU 20 HB2 LEU 20 29.588 11.422 -2.580
165 HB3 LEU 20 HB1 LEU 20 30.747 11.652 -1.253
166 HG LEU 20 HG LEU 20 27.786 10.952 -0.980
167 HD11 LEU 20 HD11 LEU 20 28.583 8.804 -0.189
168 HD12 LEU 20 HD12 LEU 20 30.272 9.363 -0.215
169 HD13 LEU 20 HD13 LEU 20 29.385 9.137 -1.742
170 HD21 LEU 20 HD21 LEU 20 28.303 12.311 0.914
171 HD22 LEU 20 HD22 LEU 20 29.942 11.632 1.061
172 HD23 LEU 20 HD23 LEU 20 28.525 10.644 1.492
Start of MODEL 94
1 H1 TRP 1 HT1 TRP 1 41.599 2.127 -4.542
2 H2 TRP 1 HT2 TRP 1 42.088 3.697 -4.970
3 H3 TRP 1 HT3 TRP 1 40.494 3.408 -4.457
4 HA TRP 1 HA TRP 1 41.037 3.217 -2.294
5 HB2 TRP 1 HB2 TRP 1 43.847 2.543 -3.250
6 HB3 TRP 1 HB1 TRP 1 43.362 2.685 -1.543
7 HD1 TRP 1 HD1 TRP 1 41.093 1.064 -0.940
8 HE1 TRP 1 HE1 TRP 1 40.725 -1.433 -1.568
9 HE3 TRP 1 HE3 TRP 1 44.397 0.717 -4.836
10 HZ2 TRP 1 HZ2 TRP 1 41.746 -3.300 -3.508
11 HZ3 TRP 1 HZ3 TRP 1 44.683 -1.432 -6.061
12 HH2 TRP 1 HH2 TRP 1 43.362 -3.438 -5.401
13 H LEU 2 HN LEU 2 42.445 4.582 -0.766
14 HA LEU 2 HA LEU 2 42.406 7.297 -1.784
15 HB2 LEU 2 HB2 LEU 2 43.772 6.373 0.765
16 HB3 LEU 2 HB1 LEU 2 43.005 7.943 0.423
17 HG LEU 2 HG LEU 2 41.600 5.250 0.715
18 HD11 LEU 2 HD11 LEU 2 41.392 7.813 2.355
19 HD12 LEU 2 HD12 LEU 2 42.377 6.405 2.817
20 HD13 LEU 2 HD13 LEU 2 40.608 6.254 2.703
21 HD21 LEU 2 HD21 LEU 2 39.515 6.780 0.555
22 HD22 LEU 2 HD22 LEU 2 40.375 6.439 -0.963
23 HD23 LEU 2 HD23 LEU 2 40.606 8.001 -0.140
24 H ARG 3 HN ARG 3 44.585 4.791 -2.152
25 HA ARG 3 HA ARG 3 46.719 4.699 -3.028
26 HB2 ARG 3 HB2 ARG 3 46.627 7.715 -3.356
27 HB3 ARG 3 HB1 ARG 3 47.612 6.542 -4.257
28 HG2 ARG 3 HG2 ARG 3 45.468 5.492 -5.096
29 HG3 ARG 3 HG1 ARG 3 44.580 6.839 -4.348
30 HD2 ARG 3 HD2 ARG 3 46.681 7.016 -6.546
31 HD3 ARG 3 HD1 ARG 3 44.949 7.408 -6.674
32 HE ARG 3 HE ARG 3 46.109 9.021 -4.613
33 HH11 ARG 3 HH11 ARG 3 44.400 9.963 -6.942
34 HH12 ARG 3 HH12 ARG 3 45.514 10.983 -7.789
35 HH21 ARG 3 HH21 ARG 3 48.310 9.727 -6.169
36 HH22 ARG 3 HH22 ARG 3 47.727 10.851 -7.351
37 H ARG 4 HN ARG 4 45.935 6.628 -0.317
38 HA ARG 4 HA ARG 4 48.776 6.414 0.650
39 HB2 ARG 4 HB2 ARG 4 46.892 8.794 0.883
40 HB3 ARG 4 HB1 ARG 4 48.375 8.602 1.847
41 HG2 ARG 4 HG2 ARG 4 49.737 8.519 -0.186
42 HG3 ARG 4 HG1 ARG 4 48.276 8.583 -1.200
43 HD2 ARG 4 HD2 ARG 4 47.726 10.812 -0.313
44 HD3 ARG 4 HD1 ARG 4 49.141 10.748 0.765
45 HE ARG 4 HE ARG 4 49.217 11.553 -1.972
46 HH11 ARG 4 HH11 ARG 4 51.001 10.214 0.602
47 HH12 ARG 4 HH12 ARG 4 52.452 9.993 -0.317
48 HH21 ARG 4 HH21 ARG 4 51.012 10.953 -3.322
49 HH22 ARG 4 HH22 ARG 4 52.458 10.411 -2.538
50 H ILE 5 HN ILE 5 45.663 5.425 0.958
51 HA ILE 5 HA ILE 5 44.397 4.574 2.703
52 HB ILE 5 HB ILE 5 47.028 4.126 4.171
53 HG12 ILE 5 HG12 ILE 5 45.878 2.592 1.793
54 HG13 ILE 5 HG11 ILE 5 47.397 3.516 1.818
55 HG21 ILE 5 HG21 ILE 5 44.713 3.513 5.151
56 HG22 ILE 5 HG22 ILE 5 45.923 2.212 5.081
57 HG23 ILE 5 HG23 ILE 5 44.621 2.283 3.868
58 HD11 ILE 5 HD1 ILE 5 48.092 1.962 3.782
59 HD12 ILE 5 HD2 ILE 5 48.076 1.262 2.146
60 HD13 ILE 5 HD3 ILE 5 46.735 0.931 3.268
61 H GLY 6 HN GLY 6 44.249 7.228 2.836
62 HA2 GLY 6 HA1 GLY 6 43.360 7.919 5.303
63 HA3 GLY 6 HA2 GLY 6 45.106 8.175 5.503
64 H LYS 7 HN LYS 7 46.165 9.518 3.756
65 HA LYS 7 HA LYS 7 44.761 12.053 3.645
66 HB2 LYS 7 HB2 LYS 7 47.286 11.166 2.187
67 HB3 LYS 7 HB1 LYS 7 46.742 12.842 2.438
68 HG2 LYS 7 HG2 LYS 7 47.060 12.703 4.809
69 HG3 LYS 7 HG1 LYS 7 47.248 10.934 4.756
70 HD2 LYS 7 HD2 LYS 7 49.443 12.056 5.008
71 HD3 LYS 7 HD1 LYS 7 49.342 11.183 3.463
72 HE2 LYS 7 HE2 LYS 7 49.067 13.184 2.215
73 HE3 LYS 7 HE1 LYS 7 48.623 14.130 3.657
74 HZ1 LYS 7 HZ1 LYS 7 50.758 14.462 4.173
75 HZ2 LYS 7 HZ2 LYS 7 51.094 14.007 2.571
76 HZ3 LYS 7 HZ3 LYS 7 51.214 12.866 3.824
77 H GLY 8 HN GLY 8 45.616 12.952 1.051
78 HA2 GLY 8 HA1 GLY 8 45.039 12.823 -1.213
79 HA3 GLY 8 HA2 GLY 8 44.264 11.252 -0.933
80 H VAL 9 HN VAL 9 42.731 12.426 1.386
81 HA VAL 9 HA VAL 9 40.435 13.298 -0.212
82 HB VAL 9 HB VAL 9 39.327 13.525 2.057
83 HG11 VAL 9 HG11 VAL 9 39.300 11.092 2.474
84 HG12 VAL 9 HG12 VAL 9 40.775 10.898 1.498
85 HG13 VAL 9 HG13 VAL 9 39.259 11.426 0.727
86 HG21 VAL 9 HG21 VAL 9 41.962 12.342 3.046
87 HG22 VAL 9 HG22 VAL 9 40.530 12.736 4.026
88 HG23 VAL 9 HG23 VAL 9 41.483 14.040 3.278
89 H LYS 10 HN LYS 10 42.875 15.005 -0.184
90 HA LYS 10 HA LYS 10 42.136 17.381 1.381
91 HB2 LYS 10 HB2 LYS 10 44.492 16.881 0.994
92 HB3 LYS 10 HB1 LYS 10 44.241 16.869 -0.763
93 HG2 LYS 10 HG2 LYS 10 45.280 18.990 0.053
94 HG3 LYS 10 HG1 LYS 10 43.722 19.269 -0.749
95 HD2 LYS 10 HD2 LYS 10 42.597 19.671 1.311
96 HD3 LYS 10 HD1 LYS 10 43.888 18.906 2.269
97 HE2 LYS 10 HE2 LYS 10 44.294 21.443 0.631
98 HE3 LYS 10 HE1 LYS 10 43.840 21.452 2.351
99 HZ1 LYS 10 HZ1 LYS 10 46.386 20.950 1.142
100 HZ2 LYS 10 HZ2 LYS 10 45.935 19.697 2.198
101 HZ3 LYS 10 HZ3 LYS 10 46.008 21.300 2.758
102 H ILE 11 HN ILE 11 41.313 15.986 -1.638
103 HA ILE 11 HA ILE 11 39.979 18.553 -2.491
104 HB ILE 11 HB ILE 11 41.196 16.531 -4.410
105 HG12 ILE 11 HG12 ILE 11 42.387 19.123 -3.320
106 HG13 ILE 11 HG11 ILE 11 43.022 17.481 -3.072
107 HG21 ILE 11 HG21 ILE 11 39.317 18.156 -5.107
108 HG22 ILE 11 HG22 ILE 11 40.808 18.219 -6.074
109 HG23 ILE 11 HG23 ILE 11 40.492 19.466 -4.844
110 HD11 ILE 11 HD1 ILE 11 44.346 18.350 -4.841
111 HD12 ILE 11 HD2 ILE 11 42.948 19.115 -5.631
112 HD13 ILE 11 HD3 ILE 11 43.135 17.344 -5.671
113 H ILE 12 HN ILE 12 40.152 15.003 -2.649
114 HA ILE 12 HA ILE 12 37.534 14.733 -3.908
115 HB ILE 12 HB ILE 12 39.270 12.780 -2.365
116 HG12 ILE 12 HG12 ILE 12 38.949 13.070 -5.391
117 HG13 ILE 12 HG11 ILE 12 40.252 13.853 -4.472
118 HG21 ILE 12 HG21 ILE 12 36.747 12.426 -4.032
119 HG22 ILE 12 HG22 ILE 12 37.110 11.788 -2.411
120 HG23 ILE 12 HG23 ILE 12 37.897 11.086 -3.835
121 HD11 ILE 12 HD1 ILE 12 41.337 11.886 -5.113
122 HD12 ILE 12 HD2 ILE 12 39.845 10.921 -5.093
123 HD13 ILE 12 HD3 ILE 12 40.650 11.347 -3.565
124 H GLY 13 HN GLY 13 38.347 12.954 -0.957
125 HA2 GLY 13 HA1 GLY 13 35.774 13.414 0.225
126 HA3 GLY 13 HA2 GLY 13 37.227 12.825 1.068
127 H GLY 14 HN GLY 14 38.269 15.345 -0.531
128 HA2 GLY 14 HA1 GLY 14 38.213 17.158 1.807
129 HA3 GLY 14 HA2 GLY 14 39.115 17.383 0.290
130 H ALA 15 HN ALA 15 37.121 17.081 -1.620
131 HA ALA 15 HA ALA 15 35.581 19.617 -1.142
132 HB1 ALA 15 HB1 ALA 15 35.069 19.516 -3.510
133 HB2 ALA 15 HB2 ALA 15 35.739 17.872 -3.632
134 HB3 ALA 15 HB3 ALA 15 36.815 19.253 -3.303
135 H ALA 16 HN ALA 16 35.138 17.127 0.306
136 HA ALA 16 HA ALA 16 33.312 15.966 1.102
137 HB1 ALA 16 HB1 ALA 16 31.131 16.766 0.748
138 HB2 ALA 16 HB2 ALA 16 31.493 17.330 -0.900
139 HB3 ALA 16 HB3 ALA 16 32.129 18.218 0.504
140 H LEU 17 HN LEU 17 35.014 14.789 -0.702
141 HA LEU 17 HA LEU 17 35.087 12.947 -2.117
142 HB2 LEU 17 HB2 LEU 17 32.074 12.669 -1.805
143 HB3 LEU 17 HB1 LEU 17 33.237 11.410 -2.257
144 HG LEU 17 HG LEU 17 33.505 12.822 0.426
145 HD11 LEU 17 HD11 LEU 17 31.652 10.506 -0.262
146 HD12 LEU 17 HD12 LEU 17 31.199 12.080 0.434
147 HD13 LEU 17 HD13 LEU 17 32.150 10.923 1.395
148 HD21 LEU 17 HD21 LEU 17 34.651 10.797 1.065
149 HD22 LEU 17 HD22 LEU 17 35.285 11.237 -0.537
150 HD23 LEU 17 HD23 LEU 17 34.082 9.939 -0.386
151 H ASP 18 HN ASP 18 34.013 15.800 -2.895
152 HA ASP 18 HA ASP 18 33.445 16.857 -4.878
153 HB2 ASP 18 HB2 ASP 18 35.454 15.542 -5.643
154 HB3 ASP 18 HB1 ASP 18 34.341 14.274 -6.210
155 H HIS 19 HN HIS 19 31.297 15.756 -3.553
156 HA HIS 19 HA HIS 19 29.120 15.005 -3.869
157 HB2 HIS 19 HB2 HIS 19 29.682 16.177 -6.620
158 HB3 HIS 19 HB1 HIS 19 28.067 15.724 -6.026
159 HD1 HIS 19 HD1 HIS 19 27.647 18.419 -6.392
160 HD2 HIS 19 HD2 HIS 19 30.077 17.256 -3.163
161 HE1 HIS 19 HE1 HIS 19 27.813 20.415 -4.806
162 H LEU 20 HN LEU 20 30.833 12.910 -3.966
163 HA LEU 20 HA LEU 20 31.061 10.744 -4.760
164 HB2 LEU 20 HB2 LEU 20 28.351 11.071 -6.087
165 HB3 LEU 20 HB1 LEU 20 29.061 9.618 -5.343
166 HG LEU 20 HG LEU 20 28.135 12.142 -3.900
167 HD11 LEU 20 HD11 LEU 20 26.464 10.657 -2.908
168 HD12 LEU 20 HD12 LEU 20 27.166 9.253 -3.747
169 HD13 LEU 20 HD13 LEU 20 26.364 10.539 -4.681
170 HD21 LEU 20 HD21 LEU 20 29.615 9.656 -2.936
171 HD22 LEU 20 HD22 LEU 20 28.674 10.692 -1.835
172 HD23 LEU 20 HD23 LEU 20 30.070 11.362 -2.710
Start of MODEL 95
1 H1 TRP 1 HT1 TRP 1 31.571 17.573 10.293
2 H2 TRP 1 HT2 TRP 1 32.752 18.785 10.452
3 H3 TRP 1 HT3 TRP 1 32.014 18.124 11.834
4 HA TRP 1 HA TRP 1 34.362 17.360 10.727
5 HB2 TRP 1 HB2 TRP 1 34.093 15.411 12.340
6 HB3 TRP 1 HB1 TRP 1 33.840 17.025 13.046
7 HD1 TRP 1 HD1 TRP 1 31.924 13.909 11.894
8 HE1 TRP 1 HE1 TRP 1 29.544 13.918 12.943
9 HE3 TRP 1 HE3 TRP 1 32.005 18.556 14.042
10 HZ2 TRP 1 HZ2 TRP 1 27.923 15.719 14.500
11 HZ3 TRP 1 HZ3 TRP 1 30.030 19.399 15.305
12 HH2 TRP 1 HH2 TRP 1 27.991 17.986 15.536
13 H LEU 2 HN LEU 2 35.138 15.608 9.593
14 HA LEU 2 HA LEU 2 33.339 14.508 7.605
15 HB2 LEU 2 HB2 LEU 2 36.106 13.455 8.269
16 HB3 LEU 2 HB1 LEU 2 35.260 13.434 6.704
17 HG LEU 2 HG LEU 2 36.256 15.914 8.179
18 HD11 LEU 2 HD11 LEU 2 37.160 14.569 5.593
19 HD12 LEU 2 HD12 LEU 2 38.046 14.558 7.137
20 HD13 LEU 2 HD13 LEU 2 37.811 16.087 6.256
21 HD21 LEU 2 HD21 LEU 2 35.623 16.988 5.904
22 HD22 LEU 2 HD22 LEU 2 34.283 16.574 6.996
23 HD23 LEU 2 HD23 LEU 2 34.660 15.519 5.612
24 H ARG 3 HN ARG 3 35.470 12.731 9.836
25 HA ARG 3 HA ARG 3 33.286 11.114 10.901
26 HB2 ARG 3 HB2 ARG 3 33.586 10.086 8.637
27 HB3 ARG 3 HB1 ARG 3 35.294 9.784 9.033
28 HG2 ARG 3 HG2 ARG 3 34.689 8.315 10.859
29 HG3 ARG 3 HG1 ARG 3 32.970 8.754 10.710
30 HD2 ARG 3 HD2 ARG 3 32.800 7.680 8.555
31 HD3 ARG 3 HD1 ARG 3 34.562 7.449 8.465
32 HE ARG 3 HE ARG 3 33.453 6.153 10.809
33 HH11 ARG 3 HH11 ARG 3 34.423 4.001 10.638
34 HH12 ARG 3 HH12 ARG 3 34.105 3.127 9.177
35 HH21 ARG 3 HH21 ARG 3 32.781 5.867 7.513
36 HH22 ARG 3 HH22 ARG 3 33.175 4.184 7.408
37 H ARG 4 HN ARG 4 36.472 12.236 10.579
38 HA ARG 4 HA ARG 4 37.121 11.579 13.322
39 HB2 ARG 4 HB2 ARG 4 37.566 9.398 11.958
40 HB3 ARG 4 HB1 ARG 4 38.940 10.280 11.257
41 HG2 ARG 4 HG2 ARG 4 39.921 10.617 13.469
42 HG3 ARG 4 HG1 ARG 4 38.487 9.914 14.255
43 HD2 ARG 4 HD2 ARG 4 38.933 7.766 13.029
44 HD3 ARG 4 HD1 ARG 4 40.437 8.481 12.402
45 HE ARG 4 HE ARG 4 40.009 7.486 15.115
46 HH11 ARG 4 HH11 ARG 4 41.164 8.949 16.700
47 HH12 ARG 4 HH12 ARG 4 42.750 9.433 16.194
48 HH21 ARG 4 HH21 ARG 4 42.290 8.444 12.903
49 HH22 ARG 4 HH22 ARG 4 43.386 9.148 14.044
50 H ILE 5 HN ILE 5 37.050 13.533 10.815
51 HA ILE 5 HA ILE 5 38.398 15.232 9.942
52 HB ILE 5 HB ILE 5 39.177 16.831 11.688
53 HG12 ILE 5 HG12 ILE 5 38.199 14.742 13.696
54 HG13 ILE 5 HG11 ILE 5 39.915 15.023 13.332
55 HG21 ILE 5 HG21 ILE 5 36.458 15.654 12.396
56 HG22 ILE 5 HG22 ILE 5 36.756 16.606 10.924
57 HG23 ILE 5 HG23 ILE 5 36.976 17.351 12.523
58 HD11 ILE 5 HD1 ILE 5 37.923 16.910 14.632
59 HD12 ILE 5 HD2 ILE 5 39.435 17.511 13.910
60 HD13 ILE 5 HD3 ILE 5 39.490 16.349 15.254
61 H GLY 6 HN GLY 6 39.803 12.625 10.302
62 HA2 GLY 6 HA1 GLY 6 42.620 13.637 10.653
63 HA3 GLY 6 HA2 GLY 6 42.091 11.959 10.884
64 H LYS 7 HN LYS 7 41.002 10.963 8.886
65 HA LYS 7 HA LYS 7 42.944 11.195 6.703
66 HB2 LYS 7 HB2 LYS 7 41.839 9.040 7.533
67 HB3 LYS 7 HB1 LYS 7 40.355 9.602 6.736
68 HG2 LYS 7 HG2 LYS 7 41.300 8.318 5.017
69 HG3 LYS 7 HG1 LYS 7 41.963 9.919 4.623
70 HD2 LYS 7 HD2 LYS 7 44.065 9.355 5.791
71 HD3 LYS 7 HD1 LYS 7 43.393 7.779 6.269
72 HE2 LYS 7 HE2 LYS 7 43.656 8.679 3.373
73 HE3 LYS 7 HE1 LYS 7 44.895 7.721 4.218
74 HZ1 LYS 7 HZ1 LYS 7 43.156 6.459 2.896
75 HZ2 LYS 7 HZ2 LYS 7 42.053 6.877 4.118
76 HZ3 LYS 7 HZ3 LYS 7 43.422 5.941 4.488
77 H GLY 8 HN GLY 8 42.746 12.218 4.796
78 HA2 GLY 8 HA1 GLY 8 40.258 12.843 3.546
79 HA3 GLY 8 HA2 GLY 8 40.802 14.261 4.463
80 H VAL 9 HN VAL 9 40.581 13.377 1.476
81 HA VAL 9 HA VAL 9 43.328 13.526 0.517
82 HB VAL 9 HB VAL 9 40.755 14.074 -1.030
83 HG11 VAL 9 HG11 VAL 9 42.216 13.154 -2.922
84 HG12 VAL 9 HG12 VAL 9 43.599 13.310 -1.814
85 HG13 VAL 9 HG13 VAL 9 42.682 14.754 -2.304
86 HG21 VAL 9 HG21 VAL 9 42.240 11.457 -0.516
87 HG22 VAL 9 HG22 VAL 9 40.869 11.660 -1.634
88 HG23 VAL 9 HG23 VAL 9 40.633 11.891 0.115
89 H LYS 10 HN LYS 10 41.058 15.782 1.695
90 HA LYS 10 HA LYS 10 41.154 18.079 1.925
91 HB2 LYS 10 HB2 LYS 10 43.858 18.036 0.545
92 HB3 LYS 10 HB1 LYS 10 43.201 19.282 1.621
93 HG2 LYS 10 HG2 LYS 10 43.373 17.892 3.548
94 HG3 LYS 10 HG1 LYS 10 43.596 16.419 2.578
95 HD2 LYS 10 HD2 LYS 10 45.748 17.121 3.516
96 HD3 LYS 10 HD1 LYS 10 45.765 17.311 1.746
97 HE2 LYS 10 HE2 LYS 10 44.980 19.636 3.539
98 HE3 LYS 10 HE1 LYS 10 46.690 19.272 3.215
99 HZ1 LYS 10 HZ1 LYS 10 44.718 20.444 1.494
100 HZ2 LYS 10 HZ2 LYS 10 45.508 19.129 0.761
101 HZ3 LYS 10 HZ3 LYS 10 46.409 20.440 1.360
102 H ILE 11 HN ILE 11 41.431 16.500 -1.081
103 HA ILE 11 HA ILE 11 40.563 19.008 -2.536
104 HB ILE 11 HB ILE 11 41.955 16.600 -3.756
105 HG12 ILE 11 HG12 ILE 11 43.143 19.246 -2.798
106 HG13 ILE 11 HG11 ILE 11 43.470 17.640 -2.112
107 HG21 ILE 11 HG21 ILE 11 40.540 18.215 -5.181
108 HG22 ILE 11 HG22 ILE 11 42.233 18.016 -5.683
109 HG23 ILE 11 HG23 ILE 11 41.737 19.466 -4.776
110 HD11 ILE 11 HD1 ILE 11 45.313 18.013 -3.551
111 HD12 ILE 11 HD2 ILE 11 44.297 18.748 -4.811
112 HD13 ILE 11 HD3 ILE 11 44.231 16.990 -4.525
113 H ILE 12 HN ILE 12 40.330 15.438 -2.372
114 HA ILE 12 HA ILE 12 37.830 15.549 -4.011
115 HB ILE 12 HB ILE 12 39.414 13.167 -2.972
116 HG12 ILE 12 HG12 ILE 12 39.396 14.404 -5.767
117 HG13 ILE 12 HG11 ILE 12 40.675 14.676 -4.566
118 HG21 ILE 12 HG21 ILE 12 37.068 12.607 -3.512
119 HG22 ILE 12 HG22 ILE 12 38.133 11.934 -4.758
120 HG23 ILE 12 HG23 ILE 12 37.214 13.422 -5.084
121 HD11 ILE 12 HD1 ILE 12 40.015 12.161 -6.115
122 HD12 ILE 12 HD2 ILE 12 40.758 12.003 -4.506
123 HD13 ILE 12 HD3 ILE 12 41.596 12.902 -5.789
124 H GLY 13 HN GLY 13 38.329 12.950 -1.700
125 HA2 GLY 13 HA1 GLY 13 35.769 13.288 -0.500
126 HA3 GLY 13 HA2 GLY 13 37.129 12.378 0.201
127 H GLY 14 HN GLY 14 38.480 15.122 -0.476
128 HA2 GLY 14 HA1 GLY 14 38.262 16.211 2.264
129 HA3 GLY 14 HA2 GLY 14 39.380 16.725 0.984
130 H ALA 15 HN ALA 15 37.721 17.227 -1.166
131 HA ALA 15 HA ALA 15 36.399 19.720 -0.192
132 HB1 ALA 15 HB1 ALA 15 37.750 19.598 -2.330
133 HB2 ALA 15 HB2 ALA 15 36.104 20.248 -2.517
134 HB3 ALA 15 HB3 ALA 15 36.459 18.574 -3.004
135 H ALA 16 HN ALA 16 35.470 17.094 0.665
136 HA ALA 16 HA ALA 16 33.420 16.160 1.139
137 HB1 ALA 16 HB1 ALA 16 31.427 17.326 0.753
138 HB2 ALA 16 HB2 ALA 16 32.002 18.022 -0.780
139 HB3 ALA 16 HB3 ALA 16 32.632 18.634 0.768
140 H LEU 17 HN LEU 17 35.199 15.174 -0.888
141 HA LEU 17 HA LEU 17 35.161 13.760 -2.744
142 HB2 LEU 17 HB2 LEU 17 33.424 12.781 -0.864
143 HB3 LEU 17 HB1 LEU 17 32.318 12.916 -2.246
144 HG LEU 17 HG LEU 17 35.002 11.450 -2.269
145 HD11 LEU 17 HD11 LEU 17 33.192 10.390 -0.871
146 HD12 LEU 17 HD12 LEU 17 33.679 9.407 -2.273
147 HD13 LEU 17 HD13 LEU 17 32.164 10.340 -2.322
148 HD21 LEU 17 HD21 LEU 17 34.413 12.328 -4.482
149 HD22 LEU 17 HD22 LEU 17 32.758 11.686 -4.325
150 HD23 LEU 17 HD23 LEU 17 34.138 10.570 -4.455
151 H ASP 18 HN ASP 18 34.229 16.528 -3.104
152 HA ASP 18 HA ASP 18 33.250 17.833 -4.746
153 HB2 ASP 18 HB2 ASP 18 34.730 16.523 -6.206
154 HB3 ASP 18 HB1 ASP 18 33.485 15.260 -6.357
155 H HIS 19 HN HIS 19 31.778 14.806 -5.917
156 HA HIS 19 HA HIS 19 29.213 15.830 -6.310
157 HB2 HIS 19 HB2 HIS 19 30.076 13.557 -6.998
158 HB3 HIS 19 HB1 HIS 19 29.807 13.013 -5.326
159 HD1 HIS 19 HD1 HIS 19 27.631 11.837 -5.070
160 HD2 HIS 19 HD2 HIS 19 27.407 14.949 -7.892
161 HE1 HIS 19 HE1 HIS 19 25.239 11.879 -5.969
162 H LEU 20 HN LEU 20 30.065 13.742 -3.501
163 HA LEU 20 HA LEU 20 27.717 14.668 -2.029
164 HB2 LEU 20 HB2 LEU 20 30.121 13.184 -0.907
165 HB3 LEU 20 HB1 LEU 20 28.450 13.190 -0.294
166 HG LEU 20 HG LEU 20 29.398 12.019 -2.949
167 HD11 LEU 20 HD11 LEU 20 28.319 10.738 -0.397
168 HD12 LEU 20 HD12 LEU 20 30.003 10.670 -0.971
169 HD13 LEU 20 HD13 LEU 20 28.712 9.869 -1.900
170 HD21 LEU 20 HD21 LEU 20 27.189 12.811 -3.361
171 HD22 LEU 20 HD22 LEU 20 26.639 12.405 -1.716
172 HD23 LEU 20 HD23 LEU 20 26.951 11.111 -2.899
Start of MODEL 96
1 H1 TRP 1 HT1 TRP 1 45.196 11.546 12.121
2 H2 TRP 1 HT2 TRP 1 45.779 10.365 11.048
3 H3 TRP 1 HT3 TRP 1 45.545 9.987 12.689
4 HA TRP 1 HA TRP 1 43.195 10.298 12.472
5 HB2 TRP 1 HB2 TRP 1 43.915 10.849 9.567
6 HB3 TRP 1 HB1 TRP 1 42.262 10.578 10.168
7 HD1 TRP 1 HD1 TRP 1 41.219 12.430 11.780
8 HE1 TRP 1 HE1 TRP 1 41.762 14.947 12.152
9 HE3 TRP 1 HE3 TRP 1 45.846 12.588 9.597
10 HZ2 TRP 1 HZ2 TRP 1 43.927 16.754 11.567
11 HZ3 TRP 1 HZ3 TRP 1 47.132 14.718 9.515
12 HH2 TRP 1 HH2 TRP 1 46.178 16.799 10.496
13 H LEU 2 HN LEU 2 42.067 8.424 12.343
14 HA LEU 2 HA LEU 2 43.535 6.016 11.698
15 HB2 LEU 2 HB2 LEU 2 40.584 6.522 12.268
16 HB3 LEU 2 HB1 LEU 2 41.296 4.908 12.065
17 HG LEU 2 HG LEU 2 42.973 5.604 13.922
18 HD11 LEU 2 HD11 LEU 2 40.899 7.818 14.154
19 HD12 LEU 2 HD12 LEU 2 42.672 7.953 14.139
20 HD13 LEU 2 HD13 LEU 2 41.848 7.280 15.558
21 HD21 LEU 2 HD21 LEU 2 40.014 5.299 14.603
22 HD22 LEU 2 HD22 LEU 2 41.373 4.955 15.699
23 HD23 LEU 2 HD23 LEU 2 41.135 3.967 14.239
24 H ARG 3 HN ARG 3 41.913 8.288 9.837
25 HA ARG 3 HA ARG 3 41.541 8.364 7.549
26 HB2 ARG 3 HB2 ARG 3 43.520 6.626 7.535
27 HB3 ARG 3 HB1 ARG 3 42.244 5.428 7.220
28 HG2 ARG 3 HG2 ARG 3 41.471 6.838 5.283
29 HG3 ARG 3 HG1 ARG 3 42.870 7.904 5.555
30 HD2 ARG 3 HD2 ARG 3 44.361 5.869 5.320
31 HD3 ARG 3 HD1 ARG 3 42.920 4.946 4.831
32 HE ARG 3 HE ARG 3 43.101 5.968 2.717
33 HH11 ARG 3 HH11 ARG 3 44.995 7.605 5.074
34 HH12 ARG 3 HH12 ARG 3 45.484 8.872 4.000
35 HH21 ARG 3 HH21 ARG 3 43.595 7.706 1.336
36 HH22 ARG 3 HH22 ARG 3 44.692 8.929 1.883
37 H ARG 4 HN ARG 4 40.423 5.495 9.322
38 HA ARG 4 HA ARG 4 38.129 5.071 7.548
39 HB2 ARG 4 HB2 ARG 4 38.481 4.044 10.387
40 HB3 ARG 4 HB1 ARG 4 37.498 3.344 9.078
41 HG2 ARG 4 HG2 ARG 4 40.541 3.564 9.110
42 HG3 ARG 4 HG1 ARG 4 39.599 2.077 9.362
43 HD2 ARG 4 HD2 ARG 4 40.172 1.947 7.076
44 HD3 ARG 4 HD1 ARG 4 38.538 2.649 7.018
45 HE ARG 4 HE ARG 4 40.550 4.726 7.151
46 HH11 ARG 4 HH11 ARG 4 40.704 2.277 4.981
47 HH12 ARG 4 HH12 ARG 4 40.274 3.201 3.580
48 HH21 ARG 4 HH21 ARG 4 39.288 5.986 5.394
49 HH22 ARG 4 HH22 ARG 4 39.475 5.302 3.814
50 H ILE 5 HN ILE 5 38.901 7.126 10.217
51 HA ILE 5 HA ILE 5 36.307 7.475 11.358
52 HB ILE 5 HB ILE 5 38.437 8.348 12.353
53 HG12 ILE 5 HG12 ILE 5 36.333 10.498 11.813
54 HG13 ILE 5 HG11 ILE 5 36.186 9.214 13.034
55 HG21 ILE 5 HG21 ILE 5 39.254 9.228 10.061
56 HG22 ILE 5 HG22 ILE 5 39.543 10.267 11.474
57 HG23 ILE 5 HG23 ILE 5 38.207 10.636 10.359
58 HD11 ILE 5 HD1 ILE 5 38.435 10.080 13.973
59 HD12 ILE 5 HD2 ILE 5 37.006 11.109 14.228
60 HD13 ILE 5 HD3 ILE 5 38.174 11.511 12.947
61 H GLY 6 HN GLY 6 37.952 9.118 8.643
62 HA2 GLY 6 HA1 GLY 6 35.414 9.696 7.367
63 HA3 GLY 6 HA2 GLY 6 36.118 11.148 8.109
64 H LYS 7 HN LYS 7 38.633 9.131 7.356
65 HA LYS 7 HA LYS 7 40.271 9.231 5.726
66 HB2 LYS 7 HB2 LYS 7 38.475 8.119 4.408
67 HB3 LYS 7 HB1 LYS 7 37.931 9.714 3.841
68 HG2 LYS 7 HG2 LYS 7 40.087 10.133 2.780
69 HG3 LYS 7 HG1 LYS 7 40.754 8.628 3.459
70 HD2 LYS 7 HD2 LYS 7 38.929 7.371 2.208
71 HD3 LYS 7 HD1 LYS 7 38.536 8.902 1.390
72 HE2 LYS 7 HE2 LYS 7 40.892 9.054 0.585
73 HE3 LYS 7 HE1 LYS 7 41.236 7.486 1.353
74 HZ1 LYS 7 HZ1 LYS 7 38.902 7.342 -0.266
75 HZ2 LYS 7 HZ2 LYS 7 40.333 6.430 -0.360
76 HZ3 LYS 7 HZ3 LYS 7 40.214 7.916 -1.176
77 H GLY 8 HN GLY 8 38.060 11.498 4.069
78 HA2 GLY 8 HA1 GLY 8 38.410 13.685 3.406
79 HA3 GLY 8 HA2 GLY 8 39.155 13.918 5.001
80 H VAL 9 HN VAL 9 39.681 13.347 1.589
81 HA VAL 9 HA VAL 9 42.556 12.974 1.806
82 HB VAL 9 HB VAL 9 40.845 13.830 -0.574
83 HG11 VAL 9 HG11 VAL 9 42.872 12.919 -1.851
84 HG12 VAL 9 HG12 VAL 9 43.753 12.962 -0.305
85 HG13 VAL 9 HG13 VAL 9 43.129 14.469 -1.016
86 HG21 VAL 9 HG21 VAL 9 42.001 11.123 0.232
87 HG22 VAL 9 HG22 VAL 9 41.031 11.460 -1.222
88 HG23 VAL 9 HG23 VAL 9 40.291 11.595 0.391
89 H LYS 10 HN LYS 10 41.211 15.548 -0.229
90 HA LYS 10 HA LYS 10 42.093 17.737 1.430
91 HB2 LYS 10 HB2 LYS 10 44.329 16.808 0.839
92 HB3 LYS 10 HB1 LYS 10 43.931 17.000 -0.885
93 HG2 LYS 10 HG2 LYS 10 43.756 19.402 -0.654
94 HG3 LYS 10 HG1 LYS 10 43.878 19.294 1.119
95 HD2 LYS 10 HD2 LYS 10 46.169 18.426 0.943
96 HD3 LYS 10 HD1 LYS 10 46.056 18.430 -0.833
97 HE2 LYS 10 HE2 LYS 10 45.735 20.884 -0.815
98 HE3 LYS 10 HE1 LYS 10 45.833 20.887 0.963
99 HZ1 LYS 10 HZ1 LYS 10 48.071 20.033 0.825
100 HZ2 LYS 10 HZ2 LYS 10 47.954 21.451 -0.104
101 HZ3 LYS 10 HZ3 LYS 10 47.982 19.931 -0.866
102 H ILE 11 HN ILE 11 41.188 16.352 -1.656
103 HA ILE 11 HA ILE 11 39.887 18.968 -2.397
104 HB ILE 11 HB ILE 11 41.160 17.083 -4.426
105 HG12 ILE 11 HG12 ILE 11 42.303 19.620 -3.166
106 HG13 ILE 11 HG11 ILE 11 42.938 17.971 -2.966
107 HG21 ILE 11 HG21 ILE 11 39.278 18.731 -5.046
108 HG22 ILE 11 HG22 ILE 11 40.786 18.870 -5.977
109 HG23 ILE 11 HG23 ILE 11 40.434 20.030 -4.674
110 HD11 ILE 11 HD1 ILE 11 42.932 19.706 -5.458
111 HD12 ILE 11 HD2 ILE 11 43.127 17.938 -5.564
112 HD13 ILE 11 HD3 ILE 11 44.309 18.914 -4.659
113 H ILE 12 HN ILE 12 40.123 15.464 -3.141
114 HA ILE 12 HA ILE 12 37.383 15.388 -4.167
115 HB ILE 12 HB ILE 12 39.229 13.146 -3.282
116 HG12 ILE 12 HG12 ILE 12 40.412 14.418 -4.944
117 HG13 ILE 12 HG11 ILE 12 39.789 12.972 -5.762
118 HG21 ILE 12 HG21 ILE 12 37.780 11.948 -5.182
119 HG22 ILE 12 HG22 ILE 12 36.608 13.234 -4.810
120 HG23 ILE 12 HG23 ILE 12 37.137 12.117 -3.537
121 HD11 ILE 12 HD1 ILE 12 39.270 14.718 -7.270
122 HD12 ILE 12 HD2 ILE 12 38.825 15.843 -5.968
123 HD13 ILE 12 HD3 ILE 12 37.743 14.496 -6.389
124 H GLY 13 HN GLY 13 38.368 12.881 -1.888
125 HA2 GLY 13 HA1 GLY 13 35.958 12.965 -0.394
126 HA3 GLY 13 HA2 GLY 13 37.500 12.290 0.178
127 H GLY 14 HN GLY 14 38.438 15.096 -0.731
128 HA2 GLY 14 HA1 GLY 14 38.423 16.300 1.949
129 HA3 GLY 14 HA2 GLY 14 39.247 16.914 0.499
130 H ALA 15 HN ALA 15 37.206 17.132 -1.365
131 HA ALA 15 HA ALA 15 35.681 19.414 -0.167
132 HB1 ALA 15 HB1 ALA 15 36.725 19.604 -2.441
133 HB2 ALA 15 HB2 ALA 15 34.969 19.882 -2.435
134 HB3 ALA 15 HB3 ALA 15 35.617 18.329 -3.009
135 H ALA 16 HN ALA 16 35.302 16.643 0.671
136 HA ALA 16 HA ALA 16 33.481 15.417 1.387
137 HB1 ALA 16 HB1 ALA 16 32.265 17.740 1.122
138 HB2 ALA 16 HB2 ALA 16 31.300 16.251 1.265
139 HB3 ALA 16 HB3 ALA 16 31.555 16.996 -0.330
140 H LEU 17 HN LEU 17 35.154 14.719 -0.832
141 HA LEU 17 HA LEU 17 35.147 13.182 -2.591
142 HB2 LEU 17 HB2 LEU 17 33.757 11.961 -0.756
143 HB3 LEU 17 HB1 LEU 17 32.342 12.378 -1.745
144 HG LEU 17 HG LEU 17 33.848 11.334 -3.727
145 HD11 LEU 17 HD11 LEU 17 34.778 9.640 -1.374
146 HD12 LEU 17 HD12 LEU 17 35.757 10.985 -1.996
147 HD13 LEU 17 HD13 LEU 17 35.352 9.618 -3.058
148 HD21 LEU 17 HD21 LEU 17 32.808 9.085 -3.210
149 HD22 LEU 17 HD22 LEU 17 31.664 10.446 -3.132
150 HD23 LEU 17 HD23 LEU 17 32.307 9.737 -1.631
151 H ASP 18 HN ASP 18 34.511 15.734 -3.344
152 HA ASP 18 HA ASP 18 33.580 16.913 -5.102
153 HB2 ASP 18 HB2 ASP 18 32.672 14.239 -6.224
154 HB3 ASP 18 HB1 ASP 18 33.013 15.741 -7.112
155 H HIS 19 HN HIS 19 31.253 14.180 -5.093
156 HA HIS 19 HA HIS 19 29.207 15.841 -3.762
157 HB2 HIS 19 HB2 HIS 19 28.879 14.974 -6.665
158 HB3 HIS 19 HB1 HIS 19 27.616 15.709 -5.650
159 HD1 HIS 19 HD1 HIS 19 30.773 16.488 -7.555
160 HD2 HIS 19 HD2 HIS 19 27.957 18.498 -5.166
161 HE1 HIS 19 HE1 HIS 19 31.228 18.991 -7.784
162 H LEU 20 HN LEU 20 30.208 13.633 -2.696
163 HA LEU 20 HA LEU 20 29.702 11.479 -1.985
164 HB2 LEU 20 HB2 LEU 20 26.976 12.622 -2.680
165 HB3 LEU 20 HB1 LEU 20 27.144 10.978 -2.019
166 HG LEU 20 HG LEU 20 28.240 11.834 -0.017
167 HD11 LEU 20 HD11 LEU 20 28.348 14.409 0.247
168 HD12 LEU 20 HD12 LEU 20 28.160 14.479 -1.522
169 HD13 LEU 20 HD13 LEU 20 29.567 13.654 -0.806
170 HD21 LEU 20 HD21 LEU 20 26.385 13.099 0.944
171 HD22 LEU 20 HD22 LEU 20 25.725 11.884 -0.178
172 HD23 LEU 20 HD23 LEU 20 25.832 13.589 -0.674
Start of MODEL 97
1 H1 TRP 1 HT1 TRP 1 39.451 13.373 18.615
2 H2 TRP 1 HT2 TRP 1 37.941 14.020 18.180
3 H3 TRP 1 HT3 TRP 1 39.371 14.703 17.566
4 HA TRP 1 HA TRP 1 39.434 12.022 16.926
5 HB2 TRP 1 HB2 TRP 1 36.791 13.379 16.261
6 HB3 TRP 1 HB1 TRP 1 37.358 11.839 15.576
7 HD1 TRP 1 HD1 TRP 1 35.353 13.153 18.338
8 HE1 TRP 1 HE1 TRP 1 34.961 11.373 20.193
9 HE3 TRP 1 HE3 TRP 1 38.859 9.710 16.904
10 HZ2 TRP 1 HZ2 TRP 1 36.043 8.808 20.926
11 HZ3 TRP 1 HZ3 TRP 1 39.161 7.602 18.196
12 HH2 TRP 1 HH2 TRP 1 37.758 7.148 20.203
13 H LEU 2 HN LEU 2 40.277 11.834 14.893
14 HA LEU 2 HA LEU 2 41.495 14.063 13.694
15 HB2 LEU 2 HB2 LEU 2 42.175 11.769 13.203
16 HB3 LEU 2 HB1 LEU 2 40.604 11.426 12.450
17 HG LEU 2 HG LEU 2 41.071 13.024 10.647
18 HD11 LEU 2 HD11 LEU 2 43.522 13.956 10.592
19 HD12 LEU 2 HD12 LEU 2 43.514 13.655 12.347
20 HD13 LEU 2 HD13 LEU 2 42.335 14.778 11.628
21 HD21 LEU 2 HD21 LEU 2 43.508 11.260 11.138
22 HD22 LEU 2 HD22 LEU 2 42.892 11.820 9.565
23 HD23 LEU 2 HD23 LEU 2 41.945 10.664 10.533
24 H ARG 3 HN ARG 3 38.210 13.089 13.664
25 HA ARG 3 HA ARG 3 36.352 14.155 12.795
26 HB2 ARG 3 HB2 ARG 3 37.913 16.260 12.954
27 HB3 ARG 3 HB1 ARG 3 38.065 16.082 11.192
28 HG2 ARG 3 HG2 ARG 3 35.583 16.137 10.983
29 HG3 ARG 3 HG1 ARG 3 35.454 16.373 12.743
30 HD2 ARG 3 HD2 ARG 3 36.960 18.228 10.847
31 HD3 ARG 3 HD1 ARG 3 35.321 18.528 11.472
32 HE ARG 3 HE ARG 3 37.821 18.838 12.967
33 HH11 ARG 3 HH11 ARG 3 36.009 20.839 13.642
34 HH12 ARG 3 HH12 ARG 3 35.135 20.261 15.021
35 HH21 ARG 3 HH21 ARG 3 36.017 16.944 14.523
36 HH22 ARG 3 HH22 ARG 3 35.140 18.056 15.521
37 H ARG 4 HN ARG 4 39.073 13.791 10.499
38 HA ARG 4 HA ARG 4 37.270 13.285 8.243
39 HB2 ARG 4 HB2 ARG 4 40.224 12.590 8.393
40 HB3 ARG 4 HB1 ARG 4 39.250 12.983 6.956
41 HG2 ARG 4 HG2 ARG 4 39.948 14.904 9.226
42 HG3 ARG 4 HG1 ARG 4 40.673 14.898 7.602
43 HD2 ARG 4 HD2 ARG 4 39.006 16.575 7.462
44 HD3 ARG 4 HD1 ARG 4 38.222 15.153 6.734
45 HE ARG 4 HE ARG 4 37.709 15.302 9.587
46 HH11 ARG 4 HH11 ARG 4 35.425 14.406 8.439
47 HH12 ARG 4 HH12 ARG 4 34.450 15.784 8.047
48 HH21 ARG 4 HH21 ARG 4 37.083 18.033 8.245
49 HH22 ARG 4 HH22 ARG 4 35.391 17.838 7.937
50 H ILE 5 HN ILE 5 38.619 11.474 10.844
51 HA ILE 5 HA ILE 5 38.905 9.167 11.170
52 HB ILE 5 HB ILE 5 36.713 7.948 11.001
53 HG12 ILE 5 HG12 ILE 5 35.660 10.602 9.908
54 HG13 ILE 5 HG11 ILE 5 35.968 9.174 8.895
55 HG21 ILE 5 HG21 ILE 5 35.632 9.248 12.718
56 HG22 ILE 5 HG22 ILE 5 36.385 10.754 12.143
57 HG23 ILE 5 HG23 ILE 5 37.380 9.500 12.918
58 HD11 ILE 5 HD1 ILE 5 34.418 7.898 10.541
59 HD12 ILE 5 HD2 ILE 5 33.655 9.050 9.424
60 HD13 ILE 5 HD3 ILE 5 33.925 9.508 11.120
61 H GLY 6 HN GLY 6 39.958 9.893 8.625
62 HA2 GLY 6 HA1 GLY 6 40.375 7.383 7.467
63 HA3 GLY 6 HA2 GLY 6 38.992 8.075 6.596
64 H LYS 7 HN LYS 7 41.348 10.242 7.947
65 HA LYS 7 HA LYS 7 42.738 11.767 6.885
66 HB2 LYS 7 HB2 LYS 7 44.012 9.556 6.697
67 HB3 LYS 7 HB1 LYS 7 43.434 9.472 5.015
68 HG2 LYS 7 HG2 LYS 7 44.403 11.823 4.698
69 HG3 LYS 7 HG1 LYS 7 45.195 11.611 6.279
70 HD2 LYS 7 HD2 LYS 7 45.539 9.797 3.849
71 HD3 LYS 7 HD1 LYS 7 46.727 10.979 4.444
72 HE2 LYS 7 HE2 LYS 7 46.563 9.680 6.709
73 HE3 LYS 7 HE1 LYS 7 45.823 8.386 5.734
74 HZ1 LYS 7 HZ1 LYS 7 47.769 8.410 4.300
75 HZ2 LYS 7 HZ2 LYS 7 48.219 8.115 5.912
76 HZ3 LYS 7 HZ3 LYS 7 48.472 9.647 5.223
77 H GLY 8 HN GLY 8 41.437 13.278 5.967
78 HA2 GLY 8 HA1 GLY 8 39.843 12.830 3.634
79 HA3 GLY 8 HA2 GLY 8 40.311 14.409 4.295
80 H VAL 9 HN VAL 9 40.122 13.238 1.497
81 HA VAL 9 HA VAL 9 42.870 13.158 0.521
82 HB VAL 9 HB VAL 9 40.278 13.600 -1.033
83 HG11 VAL 9 HG11 VAL 9 41.726 12.494 -2.862
84 HG12 VAL 9 HG12 VAL 9 43.121 12.832 -1.811
85 HG13 VAL 9 HG13 VAL 9 42.129 14.172 -2.437
86 HG21 VAL 9 HG21 VAL 9 40.190 11.527 0.294
87 HG22 VAL 9 HG22 VAL 9 41.794 11.048 -0.313
88 HG23 VAL 9 HG23 VAL 9 40.409 11.134 -1.428
89 H LYS 10 HN LYS 10 40.748 15.615 1.504
90 HA LYS 10 HA LYS 10 40.992 17.910 1.523
91 HB2 LYS 10 HB2 LYS 10 43.511 17.262 1.613
92 HB3 LYS 10 HB1 LYS 10 43.542 17.698 -0.111
93 HG2 LYS 10 HG2 LYS 10 42.460 19.929 0.583
94 HG3 LYS 10 HG1 LYS 10 42.852 19.477 2.259
95 HD2 LYS 10 HD2 LYS 10 45.235 19.284 1.677
96 HD3 LYS 10 HD1 LYS 10 44.867 19.659 -0.024
97 HE2 LYS 10 HE2 LYS 10 45.677 21.674 1.166
98 HE3 LYS 10 HE1 LYS 10 43.984 21.875 0.654
99 HZ1 LYS 10 HZ1 LYS 10 44.512 22.538 3.008
100 HZ2 LYS 10 HZ2 LYS 10 44.747 20.890 3.353
101 HZ3 LYS 10 HZ3 LYS 10 43.228 21.444 2.832
102 H ILE 11 HN ILE 11 41.160 16.085 -1.426
103 HA ILE 11 HA ILE 11 40.065 18.457 -2.949
104 HB ILE 11 HB ILE 11 41.568 16.106 -4.157
105 HG12 ILE 11 HG12 ILE 11 42.637 18.844 -3.322
106 HG13 ILE 11 HG11 ILE 11 43.074 17.285 -2.587
107 HG21 ILE 11 HG21 ILE 11 39.992 17.610 -5.542
108 HG22 ILE 11 HG22 ILE 11 41.665 17.472 -6.127
109 HG23 ILE 11 HG23 ILE 11 41.149 18.925 -5.236
110 HD11 ILE 11 HD1 ILE 11 43.732 18.317 -5.365
111 HD12 ILE 11 HD2 ILE 11 43.792 16.577 -4.989
112 HD13 ILE 11 HD3 ILE 11 44.841 17.716 -4.112
113 H ILE 12 HN ILE 12 40.107 14.881 -2.669
114 HA ILE 12 HA ILE 12 37.568 14.729 -4.213
115 HB ILE 12 HB ILE 12 39.289 12.546 -2.971
116 HG12 ILE 12 HG12 ILE 12 39.237 13.682 -5.806
117 HG13 ILE 12 HG11 ILE 12 40.549 13.872 -4.621
118 HG21 ILE 12 HG21 ILE 12 38.089 11.024 -4.485
119 HG22 ILE 12 HG22 ILE 12 37.193 12.388 -5.194
120 HG23 ILE 12 HG23 ILE 12 36.907 11.908 -3.508
121 HD11 ILE 12 HD1 ILE 12 39.703 11.393 -6.149
122 HD12 ILE 12 HD2 ILE 12 40.544 11.225 -4.587
123 HD13 ILE 12 HD3 ILE 12 41.329 12.079 -5.935
124 H GLY 13 HN GLY 13 38.223 12.401 -1.661
125 HA2 GLY 13 HA1 GLY 13 35.662 12.723 -0.450
126 HA3 GLY 13 HA2 GLY 13 37.083 11.971 0.315
127 H GLY 14 HN GLY 14 38.265 14.694 -0.677
128 HA2 GLY 14 HA1 GLY 14 38.056 16.059 1.927
129 HA3 GLY 14 HA2 GLY 14 39.094 16.504 0.556
130 H ALA 15 HN ALA 15 37.328 16.700 -1.569
131 HA ALA 15 HA ALA 15 35.892 19.194 -0.767
132 HB1 ALA 15 HB1 ALA 15 35.941 17.783 -3.459
133 HB2 ALA 15 HB2 ALA 15 37.138 18.997 -2.941
134 HB3 ALA 15 HB3 ALA 15 35.429 19.451 -3.125
135 H ALA 16 HN ALA 16 35.182 16.569 0.336
136 HA ALA 16 HA ALA 16 33.217 15.559 0.988
137 HB1 ALA 16 HB1 ALA 16 32.254 17.952 0.451
138 HB2 ALA 16 HB2 ALA 16 31.141 16.575 0.625
139 HB3 ALA 16 HB3 ALA 16 31.585 17.161 -0.995
140 H LEU 17 HN LEU 17 34.979 14.551 -1.024
141 HA LEU 17 HA LEU 17 34.974 12.914 -2.680
142 HB2 LEU 17 HB2 LEU 17 33.407 11.894 -0.884
143 HB3 LEU 17 HB1 LEU 17 32.077 12.367 -1.964
144 HG LEU 17 HG LEU 17 33.566 11.102 -3.816
145 HD11 LEU 17 HD11 LEU 17 35.425 10.694 -2.111
146 HD12 LEU 17 HD12 LEU 17 34.836 9.240 -2.947
147 HD13 LEU 17 HD13 LEU 17 34.315 9.581 -1.280
148 HD21 LEU 17 HD21 LEU 17 32.321 9.006 -3.301
149 HD22 LEU 17 HD22 LEU 17 31.280 10.443 -3.160
150 HD23 LEU 17 HD23 LEU 17 31.912 9.654 -1.694
151 H ASP 18 HN ASP 18 34.593 15.428 -3.653
152 HA ASP 18 HA ASP 18 33.760 16.595 -5.478
153 HB2 ASP 18 HB2 ASP 18 34.782 14.565 -6.583
154 HB3 ASP 18 HB1 ASP 18 33.157 13.836 -6.605
155 H HIS 19 HN HIS 19 31.905 15.882 -3.284
156 HA HIS 19 HA HIS 19 29.628 15.954 -2.835
157 HB2 HIS 19 HB2 HIS 19 29.435 17.345 -5.532
158 HB3 HIS 19 HB1 HIS 19 28.334 17.514 -4.143
159 HD1 HIS 19 HD1 HIS 19 29.681 18.332 -1.812
160 HD2 HIS 19 HD2 HIS 19 31.415 19.268 -5.528
161 HE1 HIS 19 HE1 HIS 19 31.323 20.252 -1.425
162 H LEU 20 HN LEU 20 30.199 13.496 -3.580
163 HA LEU 20 HA LEU 20 29.358 11.580 -4.572
164 HB2 LEU 20 HB2 LEU 20 27.327 12.500 -3.337
165 HB3 LEU 20 HB1 LEU 20 26.800 13.188 -4.885
166 HG LEU 20 HG LEU 20 27.049 10.777 -5.842
167 HD11 LEU 20 HD11 LEU 20 27.186 10.247 -2.843
168 HD12 LEU 20 HD12 LEU 20 28.237 9.608 -4.127
169 HD13 LEU 20 HD13 LEU 20 26.565 9.033 -3.983
170 HD21 LEU 20 HD21 LEU 20 24.778 10.172 -5.052
171 HD22 LEU 20 HD22 LEU 20 24.878 11.907 -5.442
172 HD23 LEU 20 HD23 LEU 20 24.912 11.371 -3.744
Start of MODEL 98
1 H1 TRP 1 HT1 TRP 1 50.261 16.307 12.366
2 H2 TRP 1 HT2 TRP 1 50.553 14.795 11.650
3 H3 TRP 1 HT3 TRP 1 51.215 15.161 13.171
4 HA TRP 1 HA TRP 1 49.493 14.264 14.124
5 HB2 TRP 1 HB2 TRP 1 47.936 16.393 12.603
6 HB3 TRP 1 HB1 TRP 1 47.340 15.476 14.007
7 HD1 TRP 1 HD1 TRP 1 48.256 16.111 16.374
8 HE1 TRP 1 HE1 TRP 1 49.648 18.101 17.303
9 HE3 TRP 1 HE3 TRP 1 49.888 18.089 11.944
10 HZ2 TRP 1 HZ2 TRP 1 51.245 20.247 16.235
11 HZ3 TRP 1 HZ3 TRP 1 51.344 20.108 11.922
12 HH2 TRP 1 HH2 TRP 1 52.024 21.188 14.062
13 H LEU 2 HN LEU 2 49.735 12.274 13.007
14 HA LEU 2 HA LEU 2 48.846 10.473 11.867
15 HB2 LEU 2 HB2 LEU 2 46.650 11.573 12.813
16 HB3 LEU 2 HB1 LEU 2 46.388 12.088 11.133
17 HG LEU 2 HG LEU 2 46.903 9.518 10.582
18 HD11 LEU 2 HD11 LEU 2 46.012 8.025 12.375
19 HD12 LEU 2 HD12 LEU 2 45.925 9.421 13.474
20 HD13 LEU 2 HD13 LEU 2 47.503 8.853 12.880
21 HD21 LEU 2 HD21 LEU 2 44.298 10.552 11.787
22 HD22 LEU 2 HD22 LEU 2 44.446 9.020 10.891
23 HD23 LEU 2 HD23 LEU 2 44.767 10.568 10.071
24 H ARG 3 HN ARG 3 49.511 13.452 10.488
25 HA ARG 3 HA ARG 3 50.293 13.984 8.376
26 HB2 ARG 3 HB2 ARG 3 51.002 11.422 8.486
27 HB3 ARG 3 HB1 ARG 3 49.701 11.215 7.295
28 HG2 ARG 3 HG2 ARG 3 52.122 13.059 7.053
29 HG3 ARG 3 HG1 ARG 3 51.810 11.581 6.115
30 HD2 ARG 3 HD2 ARG 3 49.623 12.734 5.347
31 HD3 ARG 3 HD1 ARG 3 50.332 14.232 5.999
32 HE ARG 3 HE ARG 3 52.218 12.933 4.254
33 HH11 ARG 3 HH11 ARG 3 49.305 13.059 3.019
34 HH12 ARG 3 HH12 ARG 3 49.495 14.458 2.015
35 HH21 ARG 3 HH21 ARG 3 52.458 15.457 3.512
36 HH22 ARG 3 HH22 ARG 3 51.280 15.816 2.295
37 H ARG 4 HN ARG 4 47.776 11.494 7.719
38 HA ARG 4 HA ARG 4 46.538 13.119 5.675
39 HB2 ARG 4 HB2 ARG 4 45.400 10.749 7.209
40 HB3 ARG 4 HB1 ARG 4 44.808 11.392 5.656
41 HG2 ARG 4 HG2 ARG 4 46.952 10.860 4.582
42 HG3 ARG 4 HG1 ARG 4 47.613 10.293 6.134
43 HD2 ARG 4 HD2 ARG 4 45.868 8.532 6.231
44 HD3 ARG 4 HD1 ARG 4 45.223 9.091 4.669
45 HE ARG 4 HE ARG 4 47.989 8.544 4.307
46 HH11 ARG 4 HH11 ARG 4 45.987 7.339 2.531
47 HH12 ARG 4 HH12 ARG 4 46.041 5.660 2.954
48 HH21 ARG 4 HH21 ARG 4 47.661 6.199 5.973
49 HH22 ARG 4 HH22 ARG 4 46.987 5.015 4.902
50 H ILE 5 HN ILE 5 46.758 13.824 8.800
51 HA ILE 5 HA ILE 5 45.361 14.780 10.416
52 HB ILE 5 HB ILE 5 44.275 16.878 9.583
53 HG12 ILE 5 HG12 ILE 5 45.297 15.995 6.839
54 HG13 ILE 5 HG11 ILE 5 43.593 15.883 7.333
55 HG21 ILE 5 HG21 ILE 5 47.037 16.449 8.365
56 HG22 ILE 5 HG22 ILE 5 46.755 16.649 10.111
57 HG23 ILE 5 HG23 ILE 5 46.349 17.967 8.989
58 HD11 ILE 5 HD1 ILE 5 45.289 18.369 6.927
59 HD12 ILE 5 HD2 ILE 5 43.795 18.420 7.892
60 HD13 ILE 5 HD3 ILE 5 43.732 17.950 6.178
61 H GLY 6 HN GLY 6 44.165 12.429 9.733
62 HA2 GLY 6 HA1 GLY 6 42.088 11.474 10.224
63 HA3 GLY 6 HA2 GLY 6 41.355 13.090 10.264
64 H LYS 7 HN LYS 7 42.854 10.792 7.946
65 HA LYS 7 HA LYS 7 42.270 10.292 5.757
66 HB2 LYS 7 HB2 LYS 7 39.443 11.000 6.617
67 HB3 LYS 7 HB1 LYS 7 39.942 9.858 5.344
68 HG2 LYS 7 HG2 LYS 7 41.157 8.546 7.186
69 HG3 LYS 7 HG1 LYS 7 40.291 9.571 8.355
70 HD2 LYS 7 HD2 LYS 7 38.964 7.858 6.204
71 HD3 LYS 7 HD1 LYS 7 39.103 7.415 7.922
72 HE2 LYS 7 HE2 LYS 7 36.943 8.360 7.798
73 HE3 LYS 7 HE1 LYS 7 37.927 9.732 8.360
74 HZ1 LYS 7 HZ1 LYS 7 37.492 10.839 6.498
75 HZ2 LYS 7 HZ2 LYS 7 36.335 9.652 6.122
76 HZ3 LYS 7 HZ3 LYS 7 37.915 9.527 5.510
77 H GLY 8 HN GLY 8 39.860 11.435 4.393
78 HA2 GLY 8 HA1 GLY 8 39.318 13.274 3.094
79 HA3 GLY 8 HA2 GLY 8 40.188 14.295 4.255
80 H VAL 9 HN VAL 9 40.109 13.124 1.110
81 HA VAL 9 HA VAL 9 42.958 12.977 0.591
82 HB VAL 9 HB VAL 9 40.857 13.682 -1.502
83 HG11 VAL 9 HG11 VAL 9 42.306 12.178 -2.893
84 HG12 VAL 9 HG12 VAL 9 43.404 11.993 -1.506
85 HG13 VAL 9 HG13 VAL 9 43.190 13.587 -2.266
86 HG21 VAL 9 HG21 VAL 9 41.378 10.995 -0.161
87 HG22 VAL 9 HG22 VAL 9 40.513 11.177 -1.705
88 HG23 VAL 9 HG23 VAL 9 39.844 11.893 -0.220
89 H LYS 10 HN LYS 10 41.078 15.491 1.566
90 HA LYS 10 HA LYS 10 41.500 17.759 1.709
91 HB2 LYS 10 HB2 LYS 10 43.966 16.913 1.660
92 HB3 LYS 10 HB1 LYS 10 43.971 17.461 -0.031
93 HG2 LYS 10 HG2 LYS 10 43.068 19.713 0.873
94 HG3 LYS 10 HG1 LYS 10 43.536 19.116 2.483
95 HD2 LYS 10 HD2 LYS 10 45.859 18.726 1.614
96 HD3 LYS 10 HD1 LYS 10 45.364 19.457 0.067
97 HE2 LYS 10 HE2 LYS 10 45.226 20.844 2.782
98 HE3 LYS 10 HE1 LYS 10 46.497 21.104 1.564
99 HZ1 LYS 10 HZ1 LYS 10 43.934 21.340 0.378
100 HZ2 LYS 10 HZ2 LYS 10 45.178 22.493 0.479
101 HZ3 LYS 10 HZ3 LYS 10 44.031 22.365 1.727
102 H ILE 11 HN ILE 11 41.408 16.086 -1.317
103 HA ILE 11 HA ILE 11 40.566 18.621 -2.730
104 HB ILE 11 HB ILE 11 41.546 16.059 -4.038
105 HG12 ILE 11 HG12 ILE 11 43.141 18.538 -3.237
106 HG13 ILE 11 HG11 ILE 11 43.342 16.900 -2.575
107 HG21 ILE 11 HG21 ILE 11 41.768 17.416 -6.004
108 HG22 ILE 11 HG22 ILE 11 41.585 18.925 -5.077
109 HG23 ILE 11 HG23 ILE 11 40.189 17.848 -5.313
110 HD11 ILE 11 HD1 ILE 11 45.052 17.070 -4.211
111 HD12 ILE 11 HD2 ILE 11 43.988 17.903 -5.367
112 HD13 ILE 11 HD3 ILE 11 43.762 16.167 -5.039
113 H ILE 12 HN ILE 12 40.029 15.076 -2.537
114 HA ILE 12 HA ILE 12 37.374 15.424 -3.854
115 HB ILE 12 HB ILE 12 38.847 12.924 -2.949
116 HG12 ILE 12 HG12 ILE 12 38.560 13.988 -5.800
117 HG13 ILE 12 HG11 ILE 12 39.962 14.374 -4.781
118 HG21 ILE 12 HG21 ILE 12 37.216 11.918 -4.762
119 HG22 ILE 12 HG22 ILE 12 36.294 13.419 -4.536
120 HG23 ILE 12 HG23 ILE 12 36.554 12.316 -3.167
121 HD11 ILE 12 HD1 ILE 12 39.163 11.722 -6.004
122 HD12 ILE 12 HD2 ILE 12 40.084 11.717 -4.481
123 HD13 ILE 12 HD3 ILE 12 40.759 12.496 -5.927
124 H GLY 13 HN GLY 13 37.836 12.782 -1.601
125 HA2 GLY 13 HA1 GLY 13 35.481 13.312 -0.129
126 HA3 GLY 13 HA2 GLY 13 36.855 12.345 0.455
127 H GLY 14 HN GLY 14 38.337 14.933 -0.372
128 HA2 GLY 14 HA1 GLY 14 38.423 16.095 2.339
129 HA3 GLY 14 HA2 GLY 14 39.453 16.513 0.952
130 H ALA 15 HN ALA 15 37.683 17.148 -1.051
131 HA ALA 15 HA ALA 15 36.596 19.710 0.034
132 HB1 ALA 15 HB1 ALA 15 37.821 19.504 -2.190
133 HB2 ALA 15 HB2 ALA 15 36.249 20.335 -2.240
134 HB3 ALA 15 HB3 ALA 15 36.382 18.652 -2.802
135 H ALA 16 HN ALA 16 35.545 17.095 0.853
136 HA ALA 16 HA ALA 16 33.444 16.359 1.476
137 HB1 ALA 16 HB1 ALA 16 31.525 17.655 1.169
138 HB2 ALA 16 HB2 ALA 16 32.043 18.248 -0.425
139 HB3 ALA 16 HB3 ALA 16 32.807 18.880 1.052
140 H LEU 17 HN LEU 17 35.048 15.187 -0.589
141 HA LEU 17 HA LEU 17 34.818 13.702 -2.374
142 HB2 LEU 17 HB2 LEU 17 33.063 12.963 -0.408
143 HB3 LEU 17 HB1 LEU 17 31.929 13.149 -1.760
144 HG LEU 17 HG LEU 17 34.465 11.439 -1.812
145 HD11 LEU 17 HD11 LEU 17 32.624 10.607 -0.301
146 HD12 LEU 17 HD12 LEU 17 32.964 9.528 -1.676
147 HD13 LEU 17 HD13 LEU 17 31.538 10.593 -1.711
148 HD21 LEU 17 HD21 LEU 17 33.867 12.278 -4.037
149 HD22 LEU 17 HD22 LEU 17 32.169 11.802 -3.791
150 HD23 LEU 17 HD23 LEU 17 33.433 10.558 -3.924
151 H ASP 18 HN ASP 18 34.172 16.516 -2.856
152 HA ASP 18 HA ASP 18 33.290 17.833 -4.545
153 HB2 ASP 18 HB2 ASP 18 34.510 16.181 -5.949
154 HB3 ASP 18 HB1 ASP 18 33.037 15.187 -6.032
155 H HIS 19 HN HIS 19 31.384 14.913 -5.337
156 HA HIS 19 HA HIS 19 28.948 16.226 -5.732
157 HB2 HIS 19 HB2 HIS 19 29.181 13.475 -4.462
158 HB3 HIS 19 HB1 HIS 19 27.895 14.086 -5.530
159 HD1 HIS 19 HD1 HIS 19 29.602 15.410 -7.745
160 HD2 HIS 19 HD2 HIS 19 30.323 11.580 -6.168
161 HE1 HIS 19 HE1 HIS 19 30.967 14.118 -9.476
162 H LEU 20 HN LEU 20 29.682 14.314 -2.775
163 HA LEU 20 HA LEU 20 27.540 15.547 -1.291
164 HB2 LEU 20 HB2 LEU 20 28.300 13.351 -0.656
165 HB3 LEU 20 HB1 LEU 20 29.973 13.917 -0.464
166 HG LEU 20 HG LEU 20 29.391 15.221 1.495
167 HD11 LEU 20 HD11 LEU 20 26.940 15.085 2.336
168 HD12 LEU 20 HD12 LEU 20 26.530 14.571 0.682
169 HD13 LEU 20 HD13 LEU 20 27.265 16.168 0.965
170 HD21 LEU 20 HD21 LEU 20 27.947 12.536 1.628
171 HD22 LEU 20 HD22 LEU 20 28.606 13.450 3.005
172 HD23 LEU 20 HD23 LEU 20 29.705 12.757 1.788
Start of MODEL 99
1 H1 TRP 1 HT1 TRP 1 43.747 -0.057 10.661
2 H2 TRP 1 HT2 TRP 1 45.013 0.379 11.707
3 H3 TRP 1 HT3 TRP 1 45.355 -0.184 10.140
4 HA TRP 1 HA TRP 1 43.665 1.910 9.753
5 HB2 TRP 1 HB2 TRP 1 45.807 2.605 11.801
6 HB3 TRP 1 HB1 TRP 1 44.706 3.746 10.994
7 HD1 TRP 1 HD1 TRP 1 44.996 1.669 14.019
8 HE1 TRP 1 HE1 TRP 1 42.733 1.500 15.288
9 HE3 TRP 1 HE3 TRP 1 41.896 3.522 10.391
10 HZ2 TRP 1 HZ2 TRP 1 39.965 2.098 14.768
11 HZ3 TRP 1 HZ3 TRP 1 39.448 3.714 10.799
12 HH2 TRP 1 HH2 TRP 1 38.480 3.004 12.981
13 H LEU 2 HN LEU 2 44.395 2.946 7.981
14 HA LEU 2 HA LEU 2 46.776 1.989 6.693
15 HB2 LEU 2 HB2 LEU 2 44.857 4.276 6.183
16 HB3 LEU 2 HB1 LEU 2 46.312 4.072 5.180
17 HG LEU 2 HG LEU 2 45.609 1.764 4.618
18 HD11 LEU 2 HD11 LEU 2 44.370 1.053 6.530
19 HD12 LEU 2 HD12 LEU 2 43.164 1.178 5.229
20 HD13 LEU 2 HD13 LEU 2 43.286 2.462 6.456
21 HD21 LEU 2 HD21 LEU 2 43.634 2.381 3.232
22 HD22 LEU 2 HD22 LEU 2 44.895 3.635 3.172
23 HD23 LEU 2 HD23 LEU 2 43.448 3.875 4.179
24 H ARG 3 HN ARG 3 46.168 5.425 7.228
25 HA ARG 3 HA ARG 3 48.424 5.852 8.984
26 HB2 ARG 3 HB2 ARG 3 49.575 5.324 6.760
27 HB3 ARG 3 HB1 ARG 3 48.803 6.787 6.110
28 HG2 ARG 3 HG2 ARG 3 50.856 7.671 6.812
29 HG3 ARG 3 HG1 ARG 3 49.877 7.948 8.269
30 HD2 ARG 3 HD2 ARG 3 50.751 5.837 9.252
31 HD3 ARG 3 HD1 ARG 3 51.718 5.557 7.786
32 HE ARG 3 HE ARG 3 52.530 7.199 9.951
33 HH11 ARG 3 HH11 ARG 3 53.264 9.429 9.468
34 HH12 ARG 3 HH12 ARG 3 54.074 9.634 7.951
35 HH21 ARG 3 HH21 ARG 3 53.107 6.544 6.713
36 HH22 ARG 3 HH22 ARG 3 53.984 8.002 6.392
37 H ARG 4 HN ARG 4 46.071 6.896 6.638
38 HA ARG 4 HA ARG 4 45.470 9.306 8.293
39 HB2 ARG 4 HB2 ARG 4 46.004 9.313 5.293
40 HB3 ARG 4 HB1 ARG 4 45.193 10.636 6.159
41 HG2 ARG 4 HG2 ARG 4 47.994 9.598 6.804
42 HG3 ARG 4 HG1 ARG 4 47.652 11.031 5.814
43 HD2 ARG 4 HD2 ARG 4 46.211 11.763 7.955
44 HD3 ARG 4 HD1 ARG 4 47.321 10.650 8.791
45 HE ARG 4 HE ARG 4 48.995 12.239 7.243
46 HH11 ARG 4 HH11 ARG 4 49.817 14.230 7.934
47 HH12 ARG 4 HH12 ARG 4 49.055 15.056 9.252
48 HH21 ARG 4 HH21 ARG 4 46.575 12.667 9.661
49 HH22 ARG 4 HH22 ARG 4 47.219 14.171 10.229
50 H ILE 5 HN ILE 5 44.552 6.465 6.893
51 HA ILE 5 HA ILE 5 42.480 5.552 6.397
52 HB ILE 5 HB ILE 5 41.220 8.018 7.674
53 HG12 ILE 5 HG12 ILE 5 42.371 5.529 9.021
54 HG13 ILE 5 HG11 ILE 5 43.024 7.179 9.147
55 HG21 ILE 5 HG21 ILE 5 39.391 6.550 8.163
56 HG22 ILE 5 HG22 ILE 5 40.347 5.100 7.766
57 HG23 ILE 5 HG23 ILE 5 39.829 6.208 6.474
58 HD11 ILE 5 HD1 ILE 5 41.717 6.927 11.112
59 HD12 ILE 5 HD2 ILE 5 40.410 6.089 10.242
60 HD13 ILE 5 HD3 ILE 5 40.657 7.839 10.011
61 H GLY 6 HN GLY 6 42.889 5.874 4.137
62 HA2 GLY 6 HA1 GLY 6 42.185 6.539 2.037
63 HA3 GLY 6 HA2 GLY 6 40.752 7.244 2.812
64 H LYS 7 HN LYS 7 44.218 7.820 2.161
65 HA LYS 7 HA LYS 7 44.025 10.667 2.727
66 HB2 LYS 7 HB2 LYS 7 46.288 10.759 1.708
67 HB3 LYS 7 HB1 LYS 7 46.155 9.471 2.928
68 HG2 LYS 7 HG2 LYS 7 45.654 7.851 1.041
69 HG3 LYS 7 HG1 LYS 7 46.041 9.160 -0.101
70 HD2 LYS 7 HD2 LYS 7 48.308 9.332 0.772
71 HD3 LYS 7 HD1 LYS 7 47.941 8.169 2.069
72 HE2 LYS 7 HE2 LYS 7 47.429 6.448 0.298
73 HE3 LYS 7 HE1 LYS 7 47.992 7.610 -0.928
74 HZ1 LYS 7 HZ1 LYS 7 49.640 5.897 0.054
75 HZ2 LYS 7 HZ2 LYS 7 49.704 6.951 1.386
76 HZ3 LYS 7 HZ3 LYS 7 50.148 7.501 -0.159
77 H GLY 8 HN GLY 8 44.885 12.224 0.934
78 HA2 GLY 8 HA1 GLY 8 44.721 13.039 -1.274
79 HA3 GLY 8 HA2 GLY 8 43.790 11.606 -1.750
80 H VAL 9 HN VAL 9 42.450 12.629 1.091
81 HA VAL 9 HA VAL 9 40.125 13.735 -0.288
82 HB VAL 9 HB VAL 9 39.216 14.026 2.031
83 HG11 VAL 9 HG11 VAL 9 40.513 11.337 1.403
84 HG12 VAL 9 HG12 VAL 9 38.916 11.895 0.848
85 HG13 VAL 9 HG13 VAL 9 39.201 11.587 2.578
86 HG21 VAL 9 HG21 VAL 9 40.563 13.120 3.921
87 HG22 VAL 9 HG22 VAL 9 41.348 14.533 3.179
88 HG23 VAL 9 HG23 VAL 9 41.942 12.894 2.820
89 H LYS 10 HN LYS 10 42.631 15.244 -0.592
90 HA LYS 10 HA LYS 10 42.293 17.670 1.055
91 HB2 LYS 10 HB2 LYS 10 44.070 17.106 -1.354
92 HB3 LYS 10 HB1 LYS 10 44.178 18.525 -0.284
93 HG2 LYS 10 HG2 LYS 10 44.835 17.190 1.594
94 HG3 LYS 10 HG1 LYS 10 44.391 15.676 0.769
95 HD2 LYS 10 HD2 LYS 10 46.188 15.988 -0.863
96 HD3 LYS 10 HD1 LYS 10 46.599 17.566 -0.149
97 HE2 LYS 10 HE2 LYS 10 46.748 14.874 1.278
98 HE3 LYS 10 HE1 LYS 10 48.136 15.808 0.672
99 HZ1 LYS 10 HZ1 LYS 10 46.583 17.528 2.222
100 HZ2 LYS 10 HZ2 LYS 10 48.131 16.919 2.571
101 HZ3 LYS 10 HZ3 LYS 10 46.747 16.093 3.112
102 H ILE 11 HN ILE 11 40.932 16.355 -1.763
103 HA ILE 11 HA ILE 11 39.780 19.034 -2.506
104 HB ILE 11 HB ILE 11 40.642 16.954 -4.556
105 HG12 ILE 11 HG12 ILE 11 42.114 19.464 -3.622
106 HG13 ILE 11 HG11 ILE 11 42.653 17.785 -3.387
107 HG21 ILE 11 HG21 ILE 11 40.101 19.935 -4.903
108 HG22 ILE 11 HG22 ILE 11 38.816 18.713 -5.044
109 HG23 ILE 11 HG23 ILE 11 40.197 18.681 -6.162
110 HD11 ILE 11 HD1 ILE 11 42.505 17.583 -5.981
111 HD12 ILE 11 HD2 ILE 11 43.859 18.513 -5.297
112 HD13 ILE 11 HD3 ILE 11 42.451 19.363 -5.973
113 H ILE 12 HN ILE 12 39.675 15.486 -2.729
114 HA ILE 12 HA ILE 12 36.914 15.433 -3.682
115 HB ILE 12 HB ILE 12 38.675 13.324 -2.393
116 HG12 ILE 12 HG12 ILE 12 38.013 13.498 -5.366
117 HG13 ILE 12 HG11 ILE 12 39.341 14.466 -4.691
118 HG21 ILE 12 HG21 ILE 12 36.991 11.785 -3.754
119 HG22 ILE 12 HG22 ILE 12 35.929 13.207 -3.696
120 HG23 ILE 12 HG23 ILE 12 36.488 12.448 -2.187
121 HD11 ILE 12 HD1 ILE 12 40.281 12.291 -3.716
122 HD12 ILE 12 HD2 ILE 12 40.324 12.428 -5.487
123 HD13 ILE 12 HD3 ILE 12 39.080 11.430 -4.707
124 H GLY 13 HN GLY 13 37.943 13.519 -0.881
125 HA2 GLY 13 HA1 GLY 13 35.558 14.104 0.603
126 HA3 GLY 13 HA2 GLY 13 37.058 13.407 1.259
127 H GLY 14 HN GLY 14 38.080 15.890 -0.393
128 HA2 GLY 14 HA1 GLY 14 38.406 17.643 1.968
129 HA3 GLY 14 HA2 GLY 14 39.152 17.844 0.366
130 H ALA 15 HN ALA 15 36.948 17.751 -1.325
131 HA ALA 15 HA ALA 15 35.672 20.378 -0.621
132 HB1 ALA 15 HB1 ALA 15 36.641 19.987 -2.911
133 HB2 ALA 15 HB2 ALA 15 34.913 20.405 -2.921
134 HB3 ALA 15 HB3 ALA 15 35.419 18.716 -3.160
135 H ALA 16 HN ALA 16 35.181 17.877 0.797
136 HA ALA 16 HA ALA 16 33.348 16.876 1.774
137 HB1 ALA 16 HB1 ALA 16 31.439 18.342 -0.063
138 HB2 ALA 16 HB2 ALA 16 32.277 19.213 1.243
139 HB3 ALA 16 HB3 ALA 16 31.216 17.837 1.628
140 H LEU 17 HN LEU 17 34.794 15.575 -0.162
141 HA LEU 17 HA LEU 17 34.614 13.716 -1.541
142 HB2 LEU 17 HB2 LEU 17 31.622 13.687 -0.991
143 HB3 LEU 17 HB1 LEU 17 32.633 12.338 -1.535
144 HG LEU 17 HG LEU 17 33.276 13.710 1.104
145 HD11 LEU 17 HD11 LEU 17 31.193 11.527 0.672
146 HD12 LEU 17 HD12 LEU 17 30.878 13.183 1.243
147 HD13 LEU 17 HD13 LEU 17 31.817 12.056 2.252
148 HD21 LEU 17 HD21 LEU 17 33.476 10.787 0.258
149 HD22 LEU 17 HD22 LEU 17 34.258 11.573 1.649
150 HD23 LEU 17 HD23 LEU 17 34.786 11.958 -0.004
151 H ASP 18 HN ASP 18 33.750 16.632 -2.283
152 HA ASP 18 HA ASP 18 33.156 17.730 -4.229
153 HB2 ASP 18 HB2 ASP 18 34.964 16.269 -5.139
154 HB3 ASP 18 HB1 ASP 18 33.734 15.056 -5.563
155 H HIS 19 HN HIS 19 32.034 14.497 -5.271
156 HA HIS 19 HA HIS 19 29.619 15.367 -6.389
157 HB2 HIS 19 HB2 HIS 19 30.174 12.725 -4.982
158 HB3 HIS 19 HB1 HIS 19 28.835 13.035 -6.113
159 HD1 HIS 19 HD1 HIS 19 29.543 13.742 -8.623
160 HD2 HIS 19 HD2 HIS 19 32.558 12.038 -6.236
161 HE1 HIS 19 HE1 HIS 19 31.448 13.052 -10.179
162 H LEU 20 HN LEU 20 30.025 13.919 -3.117
163 HA LEU 20 HA LEU 20 28.170 15.814 -1.944
164 HB2 LEU 20 HB2 LEU 20 26.751 14.047 -3.316
165 HB3 LEU 20 HB1 LEU 20 27.095 12.977 -1.939
166 HG LEU 20 HG LEU 20 25.745 15.716 -1.827
167 HD11 LEU 20 HD11 LEU 20 24.354 13.834 -2.697
168 HD12 LEU 20 HD12 LEU 20 23.775 14.426 -1.121
169 HD13 LEU 20 HD13 LEU 20 24.707 12.912 -1.217
170 HD21 LEU 20 HD21 LEU 20 26.988 15.541 0.203
171 HD22 LEU 20 HD22 LEU 20 26.686 13.792 0.340
172 HD23 LEU 20 HD23 LEU 20 25.366 14.952 0.630
Start of MODEL 100
1 H1 TRP 1 HT1 TRP 1 27.172 9.256 8.645
2 H2 TRP 1 HT2 TRP 1 26.459 10.510 7.744
3 H3 TRP 1 HT3 TRP 1 26.523 10.605 9.440
4 HA TRP 1 HA TRP 1 28.831 10.616 7.604
5 HB2 TRP 1 HB2 TRP 1 27.875 12.874 9.394
6 HB3 TRP 1 HB1 TRP 1 29.019 12.942 8.031
7 HD1 TRP 1 HD1 TRP 1 25.479 13.505 8.851
8 HE1 TRP 1 HE1 TRP 1 24.021 13.747 6.712
9 HE3 TRP 1 HE3 TRP 1 28.835 11.787 5.387
10 HZ2 TRP 1 HZ2 TRP 1 24.305 13.251 3.890
11 HZ3 TRP 1 HZ3 TRP 1 28.219 11.681 2.977
12 HH2 TRP 1 HH2 TRP 1 25.959 12.410 2.226
13 H LEU 2 HN LEU 2 30.668 9.969 8.500
14 HA LEU 2 HA LEU 2 30.760 9.129 11.258
15 HB2 LEU 2 HB2 LEU 2 32.841 9.482 9.084
16 HB3 LEU 2 HB1 LEU 2 33.301 8.983 10.723
17 HG LEU 2 HG LEU 2 32.918 7.101 9.028
18 HD11 LEU 2 HD11 LEU 2 31.009 6.837 11.382
19 HD12 LEU 2 HD12 LEU 2 32.768 6.918 11.623
20 HD13 LEU 2 HD13 LEU 2 32.065 5.610 10.651
21 HD21 LEU 2 HD21 LEU 2 30.668 6.486 8.425
22 HD22 LEU 2 HD22 LEU 2 30.861 8.209 8.026
23 HD23 LEU 2 HD23 LEU 2 29.969 7.727 9.489
24 H ARG 3 HN ARG 3 33.234 11.224 9.893
25 HA ARG 3 HA ARG 3 32.578 13.478 11.664
26 HB2 ARG 3 HB2 ARG 3 33.807 11.766 13.130
27 HB3 ARG 3 HB1 ARG 3 35.227 12.037 12.092
28 HG2 ARG 3 HG2 ARG 3 35.158 14.457 12.621
29 HG3 ARG 3 HG1 ARG 3 33.732 14.192 13.653
30 HD2 ARG 3 HD2 ARG 3 36.525 13.044 14.061
31 HD3 ARG 3 HD1 ARG 3 35.709 14.258 15.074
32 HE ARG 3 HE ARG 3 35.348 11.402 15.265
33 HH11 ARG 3 HH11 ARG 3 34.175 14.486 16.082
34 HH12 ARG 3 HH12 ARG 3 32.715 13.910 16.813
35 HH21 ARG 3 HH21 ARG 3 33.251 10.607 15.900
36 HH22 ARG 3 HH22 ARG 3 32.192 11.712 16.710
37 H ARG 4 HN ARG 4 34.125 11.876 9.106
38 HA ARG 4 HA ARG 4 34.763 14.378 7.778
39 HB2 ARG 4 HB2 ARG 4 36.736 13.877 9.435
40 HB3 ARG 4 HB1 ARG 4 37.159 12.586 8.295
41 HG2 ARG 4 HG2 ARG 4 38.420 14.344 7.403
42 HG3 ARG 4 HG1 ARG 4 36.917 14.552 6.479
43 HD2 ARG 4 HD2 ARG 4 36.158 16.199 8.267
44 HD3 ARG 4 HD1 ARG 4 37.792 16.088 8.963
45 HE ARG 4 HE ARG 4 37.073 17.625 6.637
46 HH11 ARG 4 HH11 ARG 4 38.614 17.193 4.763
47 HH12 ARG 4 HH12 ARG 4 40.282 17.153 5.227
48 HH21 ARG 4 HH21 ARG 4 39.607 16.858 8.616
49 HH22 ARG 4 HH22 ARG 4 40.844 16.964 7.409
50 H ILE 5 HN ILE 5 33.660 11.355 7.844
51 HA ILE 5 HA ILE 5 33.290 9.716 6.248
52 HB ILE 5 HB ILE 5 33.764 12.085 4.376
53 HG12 ILE 5 HG12 ILE 5 31.244 11.999 4.228
54 HG13 ILE 5 HG11 ILE 5 31.248 10.741 5.482
55 HG21 ILE 5 HG21 ILE 5 32.766 9.254 3.852
56 HG22 ILE 5 HG22 ILE 5 34.096 10.112 3.040
57 HG23 ILE 5 HG23 ILE 5 32.415 10.608 2.752
58 HD11 ILE 5 HD1 ILE 5 30.894 13.289 6.152
59 HD12 ILE 5 HD2 ILE 5 32.665 13.370 6.024
60 HD13 ILE 5 HD3 ILE 5 31.902 12.241 7.171
61 H GLY 6 HN GLY 6 35.001 8.355 6.663
62 HA2 GLY 6 HA1 GLY 6 37.059 7.335 6.327
63 HA3 GLY 6 HA2 GLY 6 36.693 7.617 4.615
64 H LYS 7 HN LYS 7 37.443 9.977 7.200
65 HA LYS 7 HA LYS 7 39.046 11.665 7.222
66 HB2 LYS 7 HB2 LYS 7 40.593 9.235 6.270
67 HB3 LYS 7 HB1 LYS 7 41.404 10.797 6.516
68 HG2 LYS 7 HG2 LYS 7 41.498 9.279 8.527
69 HG3 LYS 7 HG1 LYS 7 40.734 10.851 8.854
70 HD2 LYS 7 HD2 LYS 7 38.537 9.911 8.841
71 HD3 LYS 7 HD1 LYS 7 39.103 8.396 8.097
72 HE2 LYS 7 HE2 LYS 7 38.666 8.133 10.539
73 HE3 LYS 7 HE1 LYS 7 40.376 7.848 10.135
74 HZ1 LYS 7 HZ1 LYS 7 40.912 10.062 10.846
75 HZ2 LYS 7 HZ2 LYS 7 40.054 9.291 12.092
76 HZ3 LYS 7 HZ3 LYS 7 39.280 10.440 11.108
77 H GLY 8 HN GLY 8 38.421 13.244 5.836
78 HA2 GLY 8 HA1 GLY 8 38.260 13.129 3.052
79 HA3 GLY 8 HA2 GLY 8 38.619 14.604 3.971
80 H VAL 9 HN VAL 9 39.589 13.448 1.323
81 HA VAL 9 HA VAL 9 42.383 12.787 1.721
82 HB VAL 9 HB VAL 9 40.946 13.832 -0.764
83 HG11 VAL 9 HG11 VAL 9 43.320 14.164 -1.041
84 HG12 VAL 9 HG12 VAL 9 42.917 12.662 -1.904
85 HG13 VAL 9 HG13 VAL 9 43.690 12.589 -0.302
86 HG21 VAL 9 HG21 VAL 9 40.854 11.456 -1.404
87 HG22 VAL 9 HG22 VAL 9 40.044 11.694 0.164
88 HG23 VAL 9 HG23 VAL 9 41.682 11.000 0.105
89 H LYS 10 HN LYS 10 41.299 15.535 -0.273
90 HA LYS 10 HA LYS 10 42.463 17.569 1.414
91 HB2 LYS 10 HB2 LYS 10 44.555 16.398 0.663
92 HB3 LYS 10 HB1 LYS 10 44.117 16.787 -1.018
93 HG2 LYS 10 HG2 LYS 10 44.153 19.189 -0.507
94 HG3 LYS 10 HG1 LYS 10 44.494 18.842 1.205
95 HD2 LYS 10 HD2 LYS 10 46.616 17.728 0.549
96 HD3 LYS 10 HD1 LYS 10 46.280 18.111 -1.157
97 HE2 LYS 10 HE2 LYS 10 47.782 19.813 -0.298
98 HE3 LYS 10 HE1 LYS 10 46.179 20.556 -0.505
99 HZ1 LYS 10 HZ1 LYS 10 45.984 20.882 1.681
100 HZ2 LYS 10 HZ2 LYS 10 47.654 20.587 1.776
101 HZ3 LYS 10 HZ3 LYS 10 46.548 19.332 2.074
102 H ILE 11 HN ILE 11 41.224 16.368 -1.607
103 HA ILE 11 HA ILE 11 40.113 19.090 -2.206
104 HB ILE 11 HB ILE 11 41.257 17.284 -4.380
105 HG12 ILE 11 HG12 ILE 11 42.543 19.659 -2.952
106 HG13 ILE 11 HG11 ILE 11 43.117 17.976 -2.938
107 HG21 ILE 11 HG21 ILE 11 39.442 19.053 -4.848
108 HG22 ILE 11 HG22 ILE 11 40.936 19.187 -5.802
109 HG23 ILE 11 HG23 ILE 11 40.664 20.273 -4.418
110 HD11 ILE 11 HD1 ILE 11 44.473 19.034 -4.575
111 HD12 ILE 11 HD2 ILE 11 43.102 19.949 -5.245
112 HD13 ILE 11 HD3 ILE 11 43.226 18.195 -5.530
113 H ILE 12 HN ILE 12 40.181 15.615 -3.070
114 HA ILE 12 HA ILE 12 37.427 15.687 -4.079
115 HB ILE 12 HB ILE 12 39.226 13.371 -3.286
116 HG12 ILE 12 HG12 ILE 12 40.332 14.639 -5.019
117 HG13 ILE 12 HG11 ILE 12 39.662 13.183 -5.778
118 HG21 ILE 12 HG21 ILE 12 37.110 12.374 -3.428
119 HG22 ILE 12 HG22 ILE 12 37.632 12.228 -5.119
120 HG23 ILE 12 HG23 ILE 12 36.516 13.528 -4.640
121 HD11 ILE 12 HD1 ILE 12 38.720 16.058 -6.000
122 HD12 ILE 12 HD2 ILE 12 37.588 14.722 -6.310
123 HD13 ILE 12 HD3 ILE 12 39.058 14.887 -7.293
124 H GLY 13 HN GLY 13 38.396 13.113 -1.862
125 HA2 GLY 13 HA1 GLY 13 36.011 13.233 -0.323
126 HA3 GLY 13 HA2 GLY 13 37.542 12.493 0.199
127 H GLY 14 HN GLY 14 38.540 15.294 -0.684
128 HA2 GLY 14 HA1 GLY 14 38.638 16.439 2.025
129 HA3 GLY 14 HA2 GLY 14 39.443 17.058 0.564
130 H ALA 15 HN ALA 15 37.368 17.374 -1.237
131 HA ALA 15 HA ALA 15 35.947 19.682 0.025
132 HB1 ALA 15 HB1 ALA 15 36.926 19.868 -2.272
133 HB2 ALA 15 HB2 ALA 15 35.176 20.176 -2.224
134 HB3 ALA 15 HB3 ALA 15 35.784 18.616 -2.821
135 H ALA 16 HN ALA 16 35.503 16.904 0.842
136 HA ALA 16 HA ALA 16 33.663 15.734 1.602
137 HB1 ALA 16 HB1 ALA 16 31.509 16.642 1.555
138 HB2 ALA 16 HB2 ALA 16 31.742 17.398 -0.039
139 HB3 ALA 16 HB3 ALA 16 32.519 18.098 1.401
140 H LEU 17 HN LEU 17 35.244 15.024 -0.685
141 HA LEU 17 HA LEU 17 35.135 13.568 -2.503
142 HB2 LEU 17 HB2 LEU 17 33.726 12.418 -0.494
143 HB3 LEU 17 HB1 LEU 17 32.413 12.552 -1.679
144 HG LEU 17 HG LEU 17 35.122 11.235 -2.211
145 HD11 LEU 17 HD11 LEU 17 33.853 9.909 -0.614
146 HD12 LEU 17 HD12 LEU 17 33.737 9.127 -2.210
147 HD13 LEU 17 HD13 LEU 17 32.371 10.082 -1.585
148 HD21 LEU 17 HD21 LEU 17 32.535 11.404 -3.827
149 HD22 LEU 17 HD22 LEU 17 33.916 10.359 -4.237
150 HD23 LEU 17 HD23 LEU 17 34.104 12.128 -4.256
151 H ASP 18 HN ASP 18 34.381 16.128 -3.123
152 HA ASP 18 HA ASP 18 33.216 17.366 -4.701
153 HB2 ASP 18 HB2 ASP 18 32.878 14.592 -5.910
154 HB3 ASP 18 HB1 ASP 18 32.480 16.112 -6.748
155 H HIS 19 HN HIS 19 31.190 14.485 -5.157
156 HA HIS 19 HA HIS 19 29.042 15.498 -3.447
157 HB2 HIS 19 HB2 HIS 19 27.417 15.880 -5.275
158 HB3 HIS 19 HB1 HIS 19 28.779 17.024 -5.364
159 HD1 HIS 19 HD1 HIS 19 30.393 14.127 -6.428
160 HD2 HIS 19 HD2 HIS 19 27.391 16.461 -8.224
161 HE1 HIS 19 HE1 HIS 19 30.487 13.684 -8.943
162 H LEU 20 HN LEU 20 30.323 13.125 -3.297
163 HA LEU 20 HA LEU 20 30.019 10.821 -3.395
164 HB2 LEU 20 HB2 LEU 20 27.178 11.890 -3.361
165 HB3 LEU 20 HB1 LEU 20 27.507 10.143 -3.354
166 HG LEU 20 HG LEU 20 28.811 10.342 -1.300
167 HD11 LEU 20 HD11 LEU 20 28.782 12.662 -0.136
168 HD12 LEU 20 HD12 LEU 20 28.382 13.323 -1.740
169 HD13 LEU 20 HD13 LEU 20 29.912 12.447 -1.490
170 HD21 LEU 20 HD21 LEU 20 26.336 10.139 -1.122
171 HD22 LEU 20 HD22 LEU 20 26.201 11.914 -1.101
172 HD23 LEU 20 HD23 LEU 20 27.017 11.068 0.236