Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651667 | 7jvf RC | 30713 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 9.615 9.936 -8.256
2 H2 ALA 1 HT2 ALA 1 10.209 8.625 -7.350
3 H3 ALA 1 HT3 ALA 1 8.535 8.884 -7.479
4 HA ALA 1 HA ALA 1 8.611 7.365 -9.097
5 HB1 ALA 1 HB1 ALA 1 8.228 8.656 -10.898
6 HB2 ALA 1 HB2 ALA 1 9.968 8.849 -11.123
7 HB3 ALA 1 HB3 ALA 1 9.075 9.995 -10.123
8 H GLY 2 HN GLY 2 11.674 8.793 -8.300
9 HA2 GLY 2 HA2 GLY 2 13.382 7.189 -9.882
10 HA3 GLY 2 HA1 GLY 2 13.835 8.003 -8.388
11 H GLY 3 HN GLY 3 11.905 6.706 -6.713
12 HA2 GLY 3 HA2 GLY 3 11.403 4.636 -5.722
13 HA3 GLY 3 HA1 GLY 3 12.463 3.846 -6.885
14 H DBU 4 HN DHB 4 14.109 6.477 -5.739
15 HB DBU 4 HB DHB 4 17.316 5.509 -3.472
16 HG1 DBU 4 HG1 DHB 4 17.977 3.892 -5.144
17 HG2 DBU 4 HG2 DHB 4 17.492 5.187 -6.240
18 HG3 DBU 4 HG3 DHB 4 16.357 3.899 -5.840
19 H ILE 5 HN ILE 5 14.541 4.913 -1.999
20 HA ILE 5 HA ILE 5 14.999 6.610 -0.048
21 HB ILE 5 HB ILE 5 13.206 7.960 -1.971
22 HG12 ILE 5 HG12 ILE 5 15.666 8.508 -1.197
23 HG13 ILE 5 HG11 ILE 5 14.516 9.814 -1.454
24 HG21 ILE 5 HG21 ILE 5 12.251 9.326 -0.039
25 HG22 ILE 5 HG22 ILE 5 12.841 8.057 1.037
26 HG23 ILE 5 HG23 ILE 5 11.621 7.686 -0.182
27 HD11 ILE 5 HD11 ILE 5 14.736 8.564 1.271
28 HD12 ILE 5 HD12 ILE 5 14.232 10.195 0.834
29 HD13 ILE 5 HD13 ILE 5 15.937 9.751 0.763
30 HA PRO 6 HA PRO 6 10.429 4.997 0.545
31 HB2 PRO 6 HB2 PRO 6 10.290 3.073 -1.705
32 HB3 PRO 6 HB1 PRO 6 9.073 4.230 -1.133
33 HG2 PRO 6 HG2 PRO 6 10.397 4.614 -3.411
34 HG3 PRO 6 HG1 PRO 6 9.956 5.965 -2.350
35 HD2 PRO 6 HD2 PRO 6 12.629 4.638 -2.685
36 HD3 PRO 6 HD1 PRO 6 12.244 6.351 -2.478
37 H DAL 7 HN DAL 7 13.375 3.657 0.084
38 HA DAL 7 HA DAL 7 12.825 0.935 0.887
39 HB1 DAL 7 HB2 DAL 7 14.603 2.066 2.854
40 HB2 DAL 7 HB3 DAL 7 13.136 1.124 3.095
41 H LEU 8 HN LEU 8 14.553 3.044 -0.826
42 HA LEU 8 HA LEU 8 16.655 1.236 -1.412
43 HB2 LEU 8 HB2 LEU 8 16.067 4.112 -2.099
44 HB3 LEU 8 HB1 LEU 8 17.594 3.364 -2.568
45 HG LEU 8 HG LEU 8 15.615 3.245 -4.247
46 HD11 LEU 8 HD11 LEU 8 16.825 1.603 -5.200
47 HD12 LEU 8 HD12 LEU 8 16.485 0.486 -3.877
48 HD13 LEU 8 HD13 LEU 8 17.812 1.640 -3.740
49 HD21 LEU 8 HD21 LEU 8 14.128 1.299 -3.887
50 HD22 LEU 8 HD22 LEU 8 13.912 2.511 -2.623
51 HD23 LEU 8 HD23 LEU 8 14.847 1.053 -2.296
52 H MET 9 HN MET 9 16.346 4.094 0.610
53 HA MET 9 HA MET 9 19.055 4.443 1.324
54 HB2 MET 9 HB2 MET 9 16.638 5.049 3.034
55 HB3 MET 9 HB1 MET 9 18.199 5.863 3.065
56 HG2 MET 9 HG2 MET 9 17.213 5.943 0.386
57 HG3 MET 9 HG1 MET 9 15.927 6.469 1.473
58 HE1 MET 9 HE1 MET 9 16.566 7.500 3.569
59 HE2 MET 9 HE2 MET 9 16.663 9.226 3.236
60 HE3 MET 9 HE3 MET 9 18.057 8.388 3.914
61 H DBB 10 HN DBB 10 16.424 2.566 2.828
62 HA DBB 10 HA DBB 10 18.454 1.245 4.533
63 HB2 DBB 10 HB2 DBB 10 17.339 -0.062 2.612
64 HG1 DBB 10 HG1 DBB 10 15.171 -1.151 3.665
65 HG2 DBB 10 HG2 DBB 10 15.088 0.297 2.692
66 HG3 DBB 10 HG3 DBB 10 15.047 0.415 4.439
67 H GLY 11 HN GLY 11 15.251 2.600 4.320
68 HA2 GLY 11 HA2 GLY 11 14.493 1.789 6.980
69 HA3 GLY 11 HA1 GLY 11 14.970 3.472 6.838
70 H CYS 12 HN CYS 12 12.759 1.048 5.466
71 HA CYS 12 HA CYS 12 10.560 2.925 5.481
72 HB2 CYS 12 HB2 CYS 12 11.023 1.796 2.797
73 HB3 CYS 12 HB1 CYS 12 10.300 3.334 3.246
74 H GLY 13 HN GLY 13 9.105 1.629 3.438
75 HA2 GLY 13 HA2 GLY 13 8.796 -1.133 4.426
76 HA3 GLY 13 HA1 GLY 13 7.405 -0.067 4.292
77 H TRP 14 HN TRP 14 9.833 0.392 1.958
78 HA TRP 14 HA TRP 14 8.360 0.211 -0.289
79 HB2 TRP 14 HB2 TRP 14 10.459 -0.396 -1.482
80 HB3 TRP 14 HB1 TRP 14 10.665 0.924 -0.359
81 HD1 TRP 14 HD1 TRP 14 10.465 -1.607 2.011
82 HE1 TRP 14 HE1 TRP 14 12.728 -2.693 2.587
83 HE3 TRP 14 HE3 TRP 14 13.220 -0.099 -2.016
84 HZ2 TRP 14 HZ2 TRP 14 15.357 -2.903 1.486
85 HZ3 TRP 14 HZ3 TRP 14 15.599 -0.764 -2.229
86 HH2 TRP 14 HH2 TRP 14 16.670 -2.161 -0.485
87 H LEU 15 HN LEU 15 10.541 -2.338 -0.727
88 HA LEU 15 HA LEU 15 8.321 -4.230 -0.991
89 HB2 LEU 15 HB2 LEU 15 10.311 -5.476 -2.246
90 HB3 LEU 15 HB1 LEU 15 9.365 -4.218 -3.043
91 HG LEU 15 HG LEU 15 11.851 -3.537 -1.472
92 HD11 LEU 15 HD11 LEU 15 13.096 -4.625 -2.995
93 HD12 LEU 15 HD12 LEU 15 12.493 -3.490 -4.203
94 HD13 LEU 15 HD13 LEU 15 11.669 -5.030 -3.951
95 HD21 LEU 15 HD21 LEU 15 9.942 -1.921 -2.543
96 HD22 LEU 15 HD22 LEU 15 11.010 -2.088 -3.935
97 HD23 LEU 15 HD23 LEU 15 11.639 -1.447 -2.417
98 H DBU 16 HN DHB 16 11.351 -3.643 0.661
99 HB DBU 16 HB DHB 16 13.062 -6.526 2.799
100 HG1 DBU 16 HG1 DHB 16 13.652 -5.335 0.102
101 HG2 DBU 16 HG2 DHB 16 13.166 -7.030 0.062
102 HG3 DBU 16 HG3 DHB 16 14.593 -6.545 0.976
103 H GLY 17 HN GLY 17 11.306 -3.162 3.308
104 HA2 GLY 17 HA2 GLY 17 9.362 -2.820 4.794
105 HA3 GLY 17 HA1 GLY 17 9.544 -4.500 5.277
106 H LEU 18 HN LEU 18 11.946 -4.961 6.011
107 HA LEU 18 HA LEU 18 12.622 -2.875 7.996
108 HB2 LEU 18 HB2 LEU 18 12.962 -5.878 8.080
109 HB3 LEU 18 HB1 LEU 18 13.657 -4.779 9.272
110 HG LEU 18 HG LEU 18 10.706 -4.854 8.600
111 HD11 LEU 18 HD11 LEU 18 11.978 -6.928 9.766
112 HD12 LEU 18 HD12 LEU 18 10.349 -6.434 10.227
113 HD13 LEU 18 HD13 LEU 18 11.732 -5.909 11.186
114 HD21 LEU 18 HD21 LEU 18 10.616 -3.701 10.866
115 HD22 LEU 18 HD22 LEU 18 11.361 -2.755 9.578
116 HD23 LEU 18 HD23 LEU 18 12.373 -3.563 10.776
117 H CYS 19 HN CYS 19 13.588 -2.866 5.275
118 HA CYS 19 HA CYS 19 15.542 -2.864 4.036
119 HB2 CYS 19 HB2 CYS 19 15.730 -0.934 5.704
120 HB3 CYS 19 HB1 CYS 19 16.789 -1.980 6.641
121 H VAL 20 HN VAL 20 15.729 -5.102 3.709
122 HA VAL 20 HA VAL 20 17.681 -6.472 5.452
123 HB VAL 20 HB VAL 20 16.772 -8.563 4.371
124 HG11 VAL 20 HG11 VAL 20 14.631 -6.920 5.740
125 HG12 VAL 20 HG12 VAL 20 16.025 -7.567 6.605
126 HG13 VAL 20 HG13 VAL 20 14.881 -8.664 5.831
127 HG21 VAL 20 HG21 VAL 20 15.818 -7.587 2.354
128 HG22 VAL 20 HG22 VAL 20 14.757 -6.553 3.311
129 HG23 VAL 20 HG23 VAL 20 14.513 -8.301 3.300
130 H ARG 21 HN ARG 21 17.475 -4.808 2.613
131 HA ARG 21 HA ARG 21 18.982 -6.453 0.839
132 HB2 ARG 21 HB2 ARG 21 17.597 -4.534 0.080
133 HB3 ARG 21 HB1 ARG 21 18.734 -3.430 0.858
134 HG2 ARG 21 HG2 ARG 21 20.560 -4.342 -0.549
135 HG3 ARG 21 HG1 ARG 21 19.399 -5.400 -1.351
136 HD2 ARG 21 HD2 ARG 21 19.709 -3.436 -2.734
137 HD3 ARG 21 HD1 ARG 21 18.099 -3.362 -2.021
138 HE ARG 21 HE ARG 21 19.944 -2.001 -0.351
139 HH11 ARG 21 HH11 ARG 21 18.331 -1.793 -3.405
140 HH12 ARG 21 HH12 ARG 21 18.326 -0.062 -3.441
141 HH21 ARG 21 HH21 ARG 21 19.942 0.267 -0.390
142 HH22 ARG 21 HH22 ARG 21 19.237 1.106 -1.731
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 7.137 9.587 -8.391
2 H2 ALA 1 HT2 ALA 1 8.176 9.836 -7.070
3 H3 ALA 1 HT3 ALA 1 6.602 9.249 -6.817
4 HA ALA 1 HA ALA 1 7.857 7.340 -6.629
5 HB1 ALA 1 HB1 ALA 1 7.320 6.032 -8.585
6 HB2 ALA 1 HB2 ALA 1 7.255 7.477 -9.595
7 HB3 ALA 1 HB3 ALA 1 6.023 7.207 -8.363
8 H GLY 2 HN GLY 2 9.947 8.668 -6.305
9 HA2 GLY 2 HA2 GLY 2 11.802 9.003 -8.411
10 HA3 GLY 2 HA1 GLY 2 12.202 8.915 -6.699
11 H GLY 3 HN GLY 3 11.142 6.304 -6.223
12 HA2 GLY 3 HA2 GLY 3 11.502 4.029 -6.746
13 HA3 GLY 3 HA1 GLY 3 12.621 4.520 -8.015
14 H DBU 4 HN DHB 4 13.411 6.390 -5.444
15 HB DBU 4 HB DHB 4 16.840 4.814 -3.683
16 HG1 DBU 4 HG1 DHB 4 15.940 4.042 -6.502
17 HG2 DBU 4 HG2 DHB 4 16.345 2.780 -5.340
18 HG3 DBU 4 HG3 DHB 4 17.575 3.933 -5.853
19 H ILE 5 HN ILE 5 14.310 4.761 -2.082
20 HA ILE 5 HA ILE 5 14.980 6.536 -0.287
21 HB ILE 5 HB ILE 5 13.115 7.911 -2.144
22 HG12 ILE 5 HG12 ILE 5 15.722 8.252 -1.540
23 HG13 ILE 5 HG11 ILE 5 14.685 9.588 -2.025
24 HG21 ILE 5 HG21 ILE 5 11.748 7.841 -0.143
25 HG22 ILE 5 HG22 ILE 5 12.452 9.454 -0.256
26 HG23 ILE 5 HG23 ILE 5 13.130 8.272 0.867
27 HD11 ILE 5 HD11 ILE 5 14.463 10.382 0.174
28 HD12 ILE 5 HD12 ILE 5 16.143 9.845 0.127
29 HD13 ILE 5 HD13 ILE 5 14.913 8.830 0.880
30 HA PRO 6 HA PRO 6 10.354 5.237 0.684
31 HB2 PRO 6 HB2 PRO 6 10.029 3.139 -1.382
32 HB3 PRO 6 HB1 PRO 6 8.882 4.380 -0.844
33 HG2 PRO 6 HG2 PRO 6 10.094 4.533 -3.217
34 HG3 PRO 6 HG1 PRO 6 9.741 5.977 -2.254
35 HD2 PRO 6 HD2 PRO 6 12.361 4.573 -2.635
36 HD3 PRO 6 HD1 PRO 6 12.020 6.311 -2.511
37 H DAL 7 HN DAL 7 13.229 3.896 0.500
38 HA DAL 7 HA DAL 7 12.539 1.289 1.665
39 HB1 DAL 7 HB2 DAL 7 14.693 2.929 2.903
40 HB2 DAL 7 HB3 DAL 7 13.656 1.708 3.633
41 H LEU 8 HN LEU 8 14.317 3.098 -0.491
42 HA LEU 8 HA LEU 8 16.009 0.903 -1.220
43 HB2 LEU 8 HB2 LEU 8 15.863 3.775 -2.161
44 HB3 LEU 8 HB1 LEU 8 16.963 2.576 -2.841
45 HG LEU 8 HG LEU 8 14.813 2.826 -4.127
46 HD11 LEU 8 HD11 LEU 8 14.439 0.108 -3.325
47 HD12 LEU 8 HD12 LEU 8 16.162 0.475 -3.265
48 HD13 LEU 8 HD13 LEU 8 15.259 0.722 -4.760
49 HD21 LEU 8 HD21 LEU 8 13.426 3.176 -2.028
50 HD22 LEU 8 HD22 LEU 8 13.573 1.445 -1.736
51 HD23 LEU 8 HD23 LEU 8 12.752 2.029 -3.183
52 H MET 9 HN MET 9 16.322 3.969 0.433
53 HA MET 9 HA MET 9 19.133 4.034 0.709
54 HB2 MET 9 HB2 MET 9 17.392 5.190 2.836
55 HB3 MET 9 HB1 MET 9 18.771 5.905 2.009
56 HG2 MET 9 HG2 MET 9 17.215 5.810 -0.100
57 HG3 MET 9 HG1 MET 9 15.923 5.709 1.098
58 HE1 MET 9 HE1 MET 9 15.567 7.157 2.964
59 HE2 MET 9 HE2 MET 9 16.098 8.826 3.157
60 HE3 MET 9 HE3 MET 9 17.190 7.508 3.576
61 H DBB 10 HN DBB 10 16.556 2.735 2.782
62 HA DBB 10 HA DBB 10 18.645 1.367 4.369
63 HB2 DBB 10 HB2 DBB 10 17.514 -0.651 4.239
64 HG1 DBB 10 HG1 DBB 10 18.262 -0.314 2.050
65 HG2 DBB 10 HG2 DBB 10 17.018 0.890 1.718
66 HG3 DBB 10 HG3 DBB 10 16.581 -0.811 1.864
67 H GLY 11 HN GLY 11 15.215 2.350 4.442
68 HA2 GLY 11 HA2 GLY 11 14.981 2.147 7.270
69 HA3 GLY 11 HA1 GLY 11 15.291 3.807 6.780
70 H CYS 12 HN CYS 12 13.301 1.165 5.414
71 HA CYS 12 HA CYS 12 10.845 2.598 5.953
72 HB2 CYS 12 HB2 CYS 12 11.159 1.983 3.075
73 HB3 CYS 12 HB1 CYS 12 10.273 3.288 3.844
74 H GLY 13 HN GLY 13 9.390 1.393 3.881
75 HA2 GLY 13 HA2 GLY 13 9.579 -1.480 4.536
76 HA3 GLY 13 HA1 GLY 13 8.035 -0.633 4.462
77 H TRP 14 HN TRP 14 10.249 0.596 2.288
78 HA TRP 14 HA TRP 14 9.155 0.605 -0.029
79 HB2 TRP 14 HB2 TRP 14 11.271 -0.126 -1.151
80 HB3 TRP 14 HB1 TRP 14 11.509 1.053 0.127
81 HD1 TRP 14 HD1 TRP 14 10.910 -1.631 2.227
82 HE1 TRP 14 HE1 TRP 14 12.999 -3.006 2.834
83 HE3 TRP 14 HE3 TRP 14 14.071 -0.117 -1.475
84 HZ2 TRP 14 HZ2 TRP 14 15.664 -3.414 1.866
85 HZ3 TRP 14 HZ3 TRP 14 16.369 -1.013 -1.618
86 HH2 TRP 14 HH2 TRP 14 17.172 -2.651 0.046
87 H LEU 15 HN LEU 15 11.060 -2.211 -0.492
88 HA LEU 15 HA LEU 15 8.634 -3.723 -1.174
89 HB2 LEU 15 HB2 LEU 15 10.493 -5.122 -2.420
90 HB3 LEU 15 HB1 LEU 15 9.880 -3.626 -3.128
91 HG LEU 15 HG LEU 15 12.266 -3.627 -1.281
92 HD11 LEU 15 HD11 LEU 15 13.310 -4.875 -2.867
93 HD12 LEU 15 HD12 LEU 15 13.333 -3.368 -3.781
94 HD13 LEU 15 HD13 LEU 15 12.064 -4.557 -4.074
95 HD21 LEU 15 HD21 LEU 15 10.744 -1.596 -2.396
96 HD22 LEU 15 HD22 LEU 15 12.097 -1.729 -3.519
97 HD23 LEU 15 HD23 LEU 15 12.399 -1.423 -1.808
98 H DBU 16 HN DHB 16 11.528 -3.677 0.763
99 HB DBU 16 HB DHB 16 12.834 -6.803 2.759
100 HG1 DBU 16 HG1 DHB 16 13.027 -6.281 -0.209
101 HG2 DBU 16 HG2 DHB 16 13.995 -7.389 0.763
102 HG3 DBU 16 HG3 DHB 16 14.349 -5.662 0.782
103 H GLY 17 HN GLY 17 10.690 -3.261 3.030
104 HA2 GLY 17 HA2 GLY 17 8.702 -3.099 4.434
105 HA3 GLY 17 HA1 GLY 17 9.040 -4.734 4.999
106 H LEU 18 HN LEU 18 11.551 -4.800 5.749
107 HA LEU 18 HA LEU 18 11.750 -2.713 7.826
108 HB2 LEU 18 HB2 LEU 18 12.842 -5.535 7.728
109 HB3 LEU 18 HB1 LEU 18 13.191 -4.376 9.014
110 HG LEU 18 HG LEU 18 10.385 -5.182 8.208
111 HD11 LEU 18 HD11 LEU 18 10.767 -6.256 10.680
112 HD12 LEU 18 HD12 LEU 18 12.375 -6.469 9.986
113 HD13 LEU 18 HD13 LEU 18 10.967 -7.163 9.181
114 HD21 LEU 18 HD21 LEU 18 11.387 -3.050 9.737
115 HD22 LEU 18 HD22 LEU 18 10.828 -4.232 10.921
116 HD23 LEU 18 HD23 LEU 18 9.718 -3.618 9.695
117 H CYS 19 HN CYS 19 12.879 -3.289 4.866
118 HA CYS 19 HA CYS 19 14.635 -2.378 3.692
119 HB2 CYS 19 HB2 CYS 19 14.764 -1.012 6.220
120 HB3 CYS 19 HB1 CYS 19 16.396 -1.383 5.662
121 H VAL 20 HN VAL 20 14.746 -4.908 3.846
122 HA VAL 20 HA VAL 20 16.797 -6.158 5.316
123 HB VAL 20 HB VAL 20 15.628 -6.911 2.628
124 HG11 VAL 20 HG11 VAL 20 16.530 -9.020 4.460
125 HG12 VAL 20 HG12 VAL 20 17.838 -7.982 3.891
126 HG13 VAL 20 HG13 VAL 20 16.819 -8.832 2.730
127 HG21 VAL 20 HG21 VAL 20 14.814 -7.509 5.484
128 HG22 VAL 20 HG22 VAL 20 14.232 -8.444 4.106
129 HG23 VAL 20 HG23 VAL 20 13.849 -6.726 4.230
130 H ARG 21 HN ARG 21 16.757 -4.805 2.027
131 HA ARG 21 HA ARG 21 19.660 -5.213 1.822
132 HB2 ARG 21 HB2 ARG 21 18.233 -5.925 -0.073
133 HB3 ARG 21 HB1 ARG 21 17.687 -4.259 -0.266
134 HG2 ARG 21 HG2 ARG 21 20.006 -3.534 -0.673
135 HG3 ARG 21 HG1 ARG 21 20.565 -5.195 -0.466
136 HD2 ARG 21 HD2 ARG 21 20.337 -4.718 -2.846
137 HD3 ARG 21 HD1 ARG 21 19.112 -5.887 -2.364
138 HE ARG 21 HE ARG 21 18.345 -3.054 -2.396
139 HH11 ARG 21 HH11 ARG 21 18.279 -6.208 -3.828
140 HH12 ARG 21 HH12 ARG 21 16.908 -5.872 -4.830
141 HH21 ARG 21 HH21 ARG 21 16.550 -2.612 -3.709
142 HH22 ARG 21 HH22 ARG 21 15.930 -3.838 -4.764
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 9.862 2.586 -7.160
2 H2 ALA 1 HT2 ALA 1 9.650 1.065 -6.435
3 H3 ALA 1 HT3 ALA 1 8.937 1.399 -7.940
4 HA ALA 1 HA ALA 1 11.618 0.553 -7.315
5 HB1 ALA 1 HB1 ALA 1 9.640 0.411 -9.564
6 HB2 ALA 1 HB2 ALA 1 10.485 -0.896 -8.734
7 HB3 ALA 1 HB3 ALA 1 11.341 0.099 -9.911
8 H GLY 2 HN GLY 2 13.363 1.800 -7.508
9 HA2 GLY 2 HA2 GLY 2 14.869 3.277 -8.487
10 HA3 GLY 2 HA1 GLY 2 13.671 3.629 -9.729
11 H GLY 3 HN GLY 3 12.490 3.826 -6.538
12 HA2 GLY 3 HA2 GLY 3 12.140 6.697 -6.786
13 HA3 GLY 3 HA1 GLY 3 11.485 5.666 -5.517
14 H DBU 4 HN DHB 4 14.549 4.685 -5.564
15 HB DBU 4 HB DHB 4 17.642 5.842 -3.543
16 HG1 DBU 4 HG1 DHB 4 16.892 4.604 -6.242
17 HG2 DBU 4 HG2 DHB 4 17.821 3.695 -5.049
18 HG3 DBU 4 HG3 DHB 4 18.494 5.162 -5.757
19 H ILE 5 HN ILE 5 14.668 5.008 -2.011
20 HA ILE 5 HA ILE 5 15.008 6.764 -0.088
21 HB ILE 5 HB ILE 5 13.310 8.078 -2.145
22 HG12 ILE 5 HG12 ILE 5 15.755 8.612 -1.258
23 HG13 ILE 5 HG11 ILE 5 14.644 9.915 -1.664
24 HG21 ILE 5 HG21 ILE 5 12.816 8.199 0.835
25 HG22 ILE 5 HG22 ILE 5 11.643 7.911 -0.451
26 HG23 ILE 5 HG23 ILE 5 12.348 9.514 -0.245
27 HD11 ILE 5 HD11 ILE 5 15.869 10.091 0.595
28 HD12 ILE 5 HD12 ILE 5 14.810 8.786 1.133
29 HD13 ILE 5 HD13 ILE 5 14.121 10.325 0.618
30 HA PRO 6 HA PRO 6 10.375 5.129 0.179
31 HB2 PRO 6 HB2 PRO 6 10.640 2.975 -1.852
32 HB3 PRO 6 HB1 PRO 6 9.274 4.060 -1.530
33 HG2 PRO 6 HG2 PRO 6 10.814 4.371 -3.682
34 HG3 PRO 6 HG1 PRO 6 10.142 5.756 -2.806
35 HD2 PRO 6 HD2 PRO 6 12.941 4.703 -2.778
36 HD3 PRO 6 HD1 PRO 6 12.363 6.375 -2.694
37 H DAL 7 HN DAL 7 13.409 3.732 -0.031
38 HA DAL 7 HA DAL 7 12.721 1.243 1.338
39 HB1 DAL 7 HB2 DAL 7 14.823 2.852 2.674
40 HB2 DAL 7 HB3 DAL 7 13.668 1.715 3.357
41 H LEU 8 HN LEU 8 14.660 3.030 -0.753
42 HA LEU 8 HA LEU 8 16.405 0.764 -1.215
43 HB2 LEU 8 HB2 LEU 8 16.520 3.484 -2.536
44 HB3 LEU 8 HB1 LEU 8 17.119 1.950 -3.167
45 HG LEU 8 HG LEU 8 14.207 2.624 -2.648
46 HD11 LEU 8 HD11 LEU 8 13.990 3.129 -4.866
47 HD12 LEU 8 HD12 LEU 8 15.209 1.952 -5.359
48 HD13 LEU 8 HD13 LEU 8 15.703 3.520 -4.722
49 HD21 LEU 8 HD21 LEU 8 13.680 0.453 -3.134
50 HD22 LEU 8 HD22 LEU 8 15.311 0.150 -2.542
51 HD23 LEU 8 HD23 LEU 8 15.012 0.275 -4.273
52 H MET 9 HN MET 9 16.336 3.345 0.843
53 HA MET 9 HA MET 9 19.238 3.771 0.896
54 HB2 MET 9 HB2 MET 9 18.085 5.271 2.948
55 HB3 MET 9 HB1 MET 9 18.576 5.868 1.368
56 HG2 MET 9 HG2 MET 9 16.362 5.474 0.462
57 HG3 MET 9 HG1 MET 9 15.848 4.698 1.962
58 HE1 MET 9 HE1 MET 9 17.124 9.095 1.538
59 HE2 MET 9 HE2 MET 9 16.813 8.036 0.165
60 HE3 MET 9 HE3 MET 9 18.145 7.676 1.261
61 H DBB 10 HN DBB 10 16.574 2.638 2.955
62 HA DBB 10 HA DBB 10 18.592 1.537 4.818
63 HB2 DBB 10 HB2 DBB 10 17.556 -0.236 3.527
64 HG1 DBB 10 HG1 DBB 10 15.188 -0.606 3.476
65 HG2 DBB 10 HG2 DBB 10 15.537 1.041 2.963
66 HG3 DBB 10 HG3 DBB 10 14.917 0.738 4.581
67 H GLY 11 HN GLY 11 15.156 2.406 4.526
68 HA2 GLY 11 HA2 GLY 11 14.650 2.595 7.286
69 HA3 GLY 11 HA1 GLY 11 15.148 4.167 6.680
70 H CYS 12 HN CYS 12 13.026 1.515 5.580
71 HA CYS 12 HA CYS 12 10.709 3.259 5.545
72 HB2 CYS 12 HB2 CYS 12 11.301 2.018 2.908
73 HB3 CYS 12 HB1 CYS 12 10.383 3.472 3.275
74 H GLY 13 HN GLY 13 9.442 1.702 3.482
75 HA2 GLY 13 HA2 GLY 13 9.256 -0.985 4.675
76 HA3 GLY 13 HA1 GLY 13 7.799 -0.030 4.407
77 H TRP 14 HN TRP 14 9.901 0.866 2.105
78 HA TRP 14 HA TRP 14 8.849 0.497 -0.183
79 HB2 TRP 14 HB2 TRP 14 10.986 -0.262 -1.205
80 HB3 TRP 14 HB1 TRP 14 11.198 1.043 -0.052
81 HD1 TRP 14 HD1 TRP 14 10.645 -1.441 2.288
82 HE1 TRP 14 HE1 TRP 14 12.763 -2.692 3.037
83 HE3 TRP 14 HE3 TRP 14 13.779 -0.209 -1.536
84 HZ2 TRP 14 HZ2 TRP 14 15.434 -3.122 2.129
85 HZ3 TRP 14 HZ3 TRP 14 16.108 -1.058 -1.573
86 HH2 TRP 14 HH2 TRP 14 16.939 -2.511 0.256
87 H LEU 15 HN LEU 15 10.846 -2.150 -0.576
88 HA LEU 15 HA LEU 15 8.534 -3.922 -0.935
89 HB2 LEU 15 HB2 LEU 15 10.538 -5.228 -2.149
90 HB3 LEU 15 HB1 LEU 15 9.620 -3.957 -2.960
91 HG LEU 15 HG LEU 15 12.049 -3.270 -1.319
92 HD11 LEU 15 HD11 LEU 15 12.222 -3.753 -4.279
93 HD12 LEU 15 HD12 LEU 15 12.453 -5.087 -3.148
94 HD13 LEU 15 HD13 LEU 15 13.519 -3.684 -3.086
95 HD21 LEU 15 HD21 LEU 15 11.174 -1.934 -3.862
96 HD22 LEU 15 HD22 LEU 15 11.969 -1.234 -2.449
97 HD23 LEU 15 HD23 LEU 15 10.253 -1.635 -2.389
98 H DBU 16 HN DHB 16 11.568 -3.533 0.762
99 HB DBU 16 HB DHB 16 13.141 -6.446 2.925
100 HG1 DBU 16 HG1 DHB 16 14.651 -5.398 0.976
101 HG2 DBU 16 HG2 DHB 16 13.298 -5.846 -0.065
102 HG3 DBU 16 HG3 DHB 16 14.183 -7.091 0.816
103 H GLY 17 HN GLY 17 11.122 -3.087 3.321
104 HA2 GLY 17 HA2 GLY 17 9.154 -2.821 4.724
105 HA3 GLY 17 HA1 GLY 17 9.279 -4.529 5.131
106 H LEU 18 HN LEU 18 11.718 -4.989 5.956
107 HA LEU 18 HA LEU 18 11.995 -3.266 8.314
108 HB2 LEU 18 HB2 LEU 18 12.868 -6.062 7.645
109 HB3 LEU 18 HB1 LEU 18 13.608 -5.186 8.986
110 HG LEU 18 HG LEU 18 11.360 -4.787 9.949
111 HD11 LEU 18 HD11 LEU 18 10.548 -6.242 7.448
112 HD12 LEU 18 HD12 LEU 18 9.856 -4.784 8.158
113 HD13 LEU 18 HD13 LEU 18 9.544 -6.356 8.893
114 HD21 LEU 18 HD21 LEU 18 12.841 -7.032 10.138
115 HD22 LEU 18 HD22 LEU 18 11.369 -7.726 9.458
116 HD23 LEU 18 HD23 LEU 18 11.305 -6.842 10.983
117 H CYS 19 HN CYS 19 13.222 -3.243 5.306
118 HA CYS 19 HA CYS 19 15.051 -2.216 4.369
119 HB2 CYS 19 HB2 CYS 19 14.887 -0.427 5.933
120 HB3 CYS 19 HB1 CYS 19 15.470 -1.430 7.251
121 H VAL 20 HN VAL 20 15.425 -4.685 4.179
122 HA VAL 20 HA VAL 20 17.396 -5.948 5.762
123 HB VAL 20 HB VAL 20 17.643 -7.365 3.576
124 HG11 VAL 20 HG11 VAL 20 14.871 -7.279 4.755
125 HG12 VAL 20 HG12 VAL 20 16.246 -7.761 5.746
126 HG13 VAL 20 HG13 VAL 20 15.835 -8.685 4.301
127 HG21 VAL 20 HG21 VAL 20 15.048 -5.910 2.997
128 HG22 VAL 20 HG22 VAL 20 15.872 -7.092 1.979
129 HG23 VAL 20 HG23 VAL 20 16.572 -5.490 2.212
130 H ARG 21 HN ARG 21 17.599 -4.090 2.744
131 HA ARG 21 HA ARG 21 20.416 -4.484 2.413
132 HB2 ARG 21 HB2 ARG 21 18.477 -2.490 1.230
133 HB3 ARG 21 HB1 ARG 21 20.185 -2.550 0.797
134 HG2 ARG 21 HG2 ARG 21 19.934 -4.893 0.082
135 HG3 ARG 21 HG1 ARG 21 18.229 -4.853 0.533
136 HD2 ARG 21 HD2 ARG 21 17.819 -3.071 -1.110
137 HD3 ARG 21 HD1 ARG 21 19.524 -3.070 -1.548
138 HE ARG 21 HE ARG 21 19.191 -5.085 -2.710
139 HH11 ARG 21 HH11 ARG 21 16.410 -4.121 -0.890
140 HH12 ARG 21 HH12 ARG 21 15.345 -5.254 -1.655
141 HH21 ARG 21 HH21 ARG 21 17.799 -6.569 -3.721
142 HH22 ARG 21 HH22 ARG 21 16.131 -6.639 -3.258
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 7.171 3.872 -7.086
2 H2 ALA 1 HT2 ALA 1 7.316 2.349 -7.823
3 H3 ALA 1 HT3 ALA 1 8.154 3.685 -8.454
4 HA ALA 1 HA ALA 1 9.067 3.670 -5.940
5 HB1 ALA 1 HB1 ALA 1 9.723 1.090 -5.847
6 HB2 ALA 1 HB2 ALA 1 8.198 0.915 -6.715
7 HB3 ALA 1 HB3 ALA 1 8.224 1.675 -5.124
8 H GLY 2 HN GLY 2 11.377 2.745 -5.892
9 HA2 GLY 2 HA2 GLY 2 13.357 2.115 -7.030
10 HA3 GLY 2 HA1 GLY 2 12.536 2.391 -8.563
11 H GLY 3 HN GLY 3 11.675 4.962 -6.772
12 HA2 GLY 3 HA2 GLY 3 13.274 6.810 -8.196
13 HA3 GLY 3 HA1 GLY 3 12.262 7.187 -6.805
14 H DBU 4 HN DHB 4 13.532 5.436 -4.936
15 HB DBU 4 HB DHB 4 17.370 5.702 -3.581
16 HG1 DBU 4 HG1 DHB 4 17.992 5.332 -6.052
17 HG2 DBU 4 HG2 DHB 4 16.375 4.678 -6.310
18 HG3 DBU 4 HG3 DHB 4 17.524 3.812 -5.289
19 H ILE 5 HN ILE 5 14.516 5.090 -2.115
20 HA ILE 5 HA ILE 5 14.979 6.691 -0.084
21 HB ILE 5 HB ILE 5 13.243 8.188 -1.966
22 HG12 ILE 5 HG12 ILE 5 15.717 8.588 -1.078
23 HG13 ILE 5 HG11 ILE 5 14.634 9.942 -1.381
24 HG21 ILE 5 HG21 ILE 5 11.668 7.771 -0.139
25 HG22 ILE 5 HG22 ILE 5 12.214 9.448 -0.071
26 HG23 ILE 5 HG23 ILE 5 12.881 8.254 1.046
27 HD11 ILE 5 HD11 ILE 5 14.432 10.445 0.840
28 HD12 ILE 5 HD12 ILE 5 15.956 9.569 0.971
29 HD13 ILE 5 HD13 ILE 5 14.434 8.750 1.322
30 HA PRO 6 HA PRO 6 10.342 5.089 0.268
31 HB2 PRO 6 HB2 PRO 6 10.528 3.047 -1.884
32 HB3 PRO 6 HB1 PRO 6 9.175 4.107 -1.447
33 HG2 PRO 6 HG2 PRO 6 10.619 4.548 -3.635
34 HG3 PRO 6 HG1 PRO 6 10.002 5.883 -2.647
35 HD2 PRO 6 HD2 PRO 6 12.790 4.797 -2.795
36 HD3 PRO 6 HD1 PRO 6 12.235 6.466 -2.605
37 H DAL 7 HN DAL 7 13.373 3.758 -0.032
38 HA DAL 7 HA DAL 7 12.732 1.188 1.210
39 HB1 DAL 7 HB2 DAL 7 14.836 2.732 2.593
40 HB2 DAL 7 HB3 DAL 7 13.655 1.604 3.243
41 H LEU 8 HN LEU 8 14.584 3.050 -0.867
42 HA LEU 8 HA LEU 8 16.376 0.844 -1.408
43 HB2 LEU 8 HB2 LEU 8 16.449 3.601 -2.647
44 HB3 LEU 8 HB1 LEU 8 17.043 2.088 -3.331
45 HG LEU 8 HG LEU 8 14.140 2.747 -2.752
46 HD11 LEU 8 HD11 LEU 8 14.232 2.299 -5.394
47 HD12 LEU 8 HD12 LEU 8 15.872 2.904 -5.173
48 HD13 LEU 8 HD13 LEU 8 14.495 3.901 -4.707
49 HD21 LEU 8 HD21 LEU 8 15.226 0.266 -2.703
50 HD22 LEU 8 HD22 LEU 8 14.929 0.427 -4.432
51 HD23 LEU 8 HD23 LEU 8 13.596 0.589 -3.290
52 H MET 9 HN MET 9 16.304 3.359 0.736
53 HA MET 9 HA MET 9 19.202 3.817 0.756
54 HB2 MET 9 HB2 MET 9 17.965 5.158 2.922
55 HB3 MET 9 HB1 MET 9 18.593 5.869 1.440
56 HG2 MET 9 HG2 MET 9 16.410 5.423 0.333
57 HG3 MET 9 HG1 MET 9 15.786 4.814 1.868
58 HE1 MET 9 HE1 MET 9 15.552 7.655 4.212
59 HE2 MET 9 HE2 MET 9 17.135 6.894 4.077
60 HE3 MET 9 HE3 MET 9 15.678 5.917 3.913
61 H DBB 10 HN DBB 10 16.587 2.528 2.779
62 HA DBB 10 HA DBB 10 18.631 1.345 4.564
63 HB2 DBB 10 HB2 DBB 10 17.508 -0.263 3.008
64 HG1 DBB 10 HG1 DBB 10 15.074 0.490 4.599
65 HG2 DBB 10 HG2 DBB 10 15.174 -0.880 3.502
66 HG3 DBB 10 HG3 DBB 10 15.355 0.756 2.885
67 H GLY 11 HN GLY 11 15.252 2.391 4.281
68 HA2 GLY 11 HA2 GLY 11 14.716 2.261 7.065
69 HA3 GLY 11 HA1 GLY 11 15.220 3.876 6.602
70 H CYS 12 HN CYS 12 13.037 1.329 5.395
71 HA CYS 12 HA CYS 12 10.761 3.117 5.467
72 HB2 CYS 12 HB2 CYS 12 11.296 1.980 2.778
73 HB3 CYS 12 HB1 CYS 12 10.413 3.437 3.213
74 H GLY 13 HN GLY 13 9.399 1.696 3.388
75 HA2 GLY 13 HA2 GLY 13 9.186 -1.030 4.501
76 HA3 GLY 13 HA1 GLY 13 7.749 -0.050 4.226
77 H TRP 14 HN TRP 14 9.913 0.820 1.951
78 HA TRP 14 HA TRP 14 8.834 0.447 -0.346
79 HB2 TRP 14 HB2 TRP 14 10.982 -0.283 -1.367
80 HB3 TRP 14 HB1 TRP 14 11.175 1.033 -0.226
81 HD1 TRP 14 HD1 TRP 14 10.657 -1.451 2.130
82 HE1 TRP 14 HE1 TRP 14 12.800 -2.663 2.882
83 HE3 TRP 14 HE3 TRP 14 13.770 -0.168 -1.697
84 HZ2 TRP 14 HZ2 TRP 14 15.485 -3.042 1.974
85 HZ3 TRP 14 HZ3 TRP 14 16.115 -0.970 -1.735
86 HH2 TRP 14 HH2 TRP 14 16.975 -2.405 0.095
87 H LEU 15 HN LEU 15 10.897 -2.237 -0.572
88 HA LEU 15 HA LEU 15 8.584 -4.011 -0.948
89 HB2 LEU 15 HB2 LEU 15 10.612 -5.327 -2.135
90 HB3 LEU 15 HB1 LEU 15 9.648 -4.110 -2.974
91 HG LEU 15 HG LEU 15 12.099 -3.321 -1.403
92 HD11 LEU 15 HD11 LEU 15 12.170 -5.090 -3.553
93 HD12 LEU 15 HD12 LEU 15 13.516 -4.119 -2.957
94 HD13 LEU 15 HD13 LEU 15 12.513 -3.520 -4.278
95 HD21 LEU 15 HD21 LEU 15 11.122 -2.039 -3.938
96 HD22 LEU 15 HD22 LEU 15 11.950 -1.303 -2.567
97 HD23 LEU 15 HD23 LEU 15 10.243 -1.729 -2.442
98 H DBU 16 HN DHB 16 11.622 -3.582 0.751
99 HB DBU 16 HB DHB 16 13.237 -6.421 2.957
100 HG1 DBU 16 HG1 DHB 16 13.668 -5.364 0.117
101 HG2 DBU 16 HG2 DHB 16 13.753 -7.094 0.452
102 HG3 DBU 16 HG3 DHB 16 14.908 -5.992 1.202
103 H GLY 17 HN GLY 17 11.263 -3.079 3.327
104 HA2 GLY 17 HA2 GLY 17 9.230 -2.840 4.699
105 HA3 GLY 17 HA1 GLY 17 9.498 -4.493 5.235
106 H LEU 18 HN LEU 18 11.838 -4.794 6.152
107 HA LEU 18 HA LEU 18 12.194 -2.690 8.183
108 HB2 LEU 18 HB2 LEU 18 12.754 -5.639 8.126
109 HB3 LEU 18 HB1 LEU 18 13.587 -4.595 9.279
110 HG LEU 18 HG LEU 18 11.391 -3.753 10.075
111 HD11 LEU 18 HD11 LEU 18 9.820 -3.966 8.398
112 HD12 LEU 18 HD12 LEU 18 9.467 -5.444 9.294
113 HD13 LEU 18 HD13 LEU 18 10.469 -5.510 7.844
114 HD21 LEU 18 HD21 LEU 18 11.326 -5.450 11.575
115 HD22 LEU 18 HD22 LEU 18 12.589 -6.208 10.605
116 HD23 LEU 18 HD23 LEU 18 10.898 -6.628 10.335
117 H CYS 19 HN CYS 19 13.428 -3.281 5.276
118 HA CYS 19 HA CYS 19 15.360 -2.565 4.243
119 HB2 CYS 19 HB2 CYS 19 15.404 -0.721 5.895
120 HB3 CYS 19 HB1 CYS 19 16.246 -1.766 7.027
121 H VAL 20 HN VAL 20 15.136 -5.167 4.513
122 HA VAL 20 HA VAL 20 17.100 -6.502 6.046
123 HB VAL 20 HB VAL 20 15.986 -7.439 3.401
124 HG11 VAL 20 HG11 VAL 20 17.014 -9.366 3.939
125 HG12 VAL 20 HG12 VAL 20 16.174 -9.405 5.490
126 HG13 VAL 20 HG13 VAL 20 17.721 -8.569 5.345
127 HG21 VAL 20 HG21 VAL 20 14.196 -8.485 4.903
128 HG22 VAL 20 HG22 VAL 20 14.068 -6.744 4.651
129 HG23 VAL 20 HG23 VAL 20 14.739 -7.370 6.158
130 H ARG 21 HN ARG 21 17.086 -5.318 2.698
131 HA ARG 21 HA ARG 21 19.609 -6.291 1.935
132 HB2 ARG 21 HB2 ARG 21 17.940 -5.371 0.351
133 HB3 ARG 21 HB1 ARG 21 18.238 -3.758 0.999
134 HG2 ARG 21 HG2 ARG 21 20.619 -3.944 0.355
135 HG3 ARG 21 HG1 ARG 21 20.307 -5.546 -0.314
136 HD2 ARG 21 HD2 ARG 21 18.618 -4.513 -1.849
137 HD3 ARG 21 HD1 ARG 21 19.098 -2.929 -1.247
138 HE ARG 21 HE ARG 21 20.657 -4.670 -3.001
139 HH11 ARG 21 HH11 ARG 21 20.484 -1.882 -0.958
140 HH12 ARG 21 HH12 ARG 21 21.875 -1.118 -1.651
141 HH21 ARG 21 HH21 ARG 21 22.482 -3.673 -3.914
142 HH22 ARG 21 HH22 ARG 21 23.006 -2.130 -3.323
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 8.844 0.182 -8.944
2 H2 ALA 1 HT2 ALA 1 10.082 -0.374 -7.921
3 H3 ALA 1 HT3 ALA 1 10.014 1.265 -8.362
4 HA ALA 1 HA ALA 1 7.596 0.955 -7.272
5 HB1 ALA 1 HB1 ALA 1 9.383 -1.174 -6.272
6 HB2 ALA 1 HB2 ALA 1 7.623 -1.071 -6.233
7 HB3 ALA 1 HB3 ALA 1 8.582 -0.233 -5.013
8 H GLY 2 HN GLY 2 11.016 1.099 -6.301
9 HA2 GLY 2 HA2 GLY 2 10.446 3.697 -4.997
10 HA3 GLY 2 HA1 GLY 2 11.573 2.527 -4.315
11 H GLY 3 HN GLY 3 11.622 5.373 -5.706
12 HA2 GLY 3 HA2 GLY 3 13.644 4.904 -7.758
13 HA3 GLY 3 HA1 GLY 3 12.942 6.458 -7.317
14 H DBU 4 HN DHB 4 13.597 5.240 -4.414
15 HB DBU 4 HB DHB 4 17.488 5.777 -3.107
16 HG1 DBU 4 HG1 DHB 4 17.884 5.331 -5.775
17 HG2 DBU 4 HG2 DHB 4 16.695 4.057 -5.501
18 HG3 DBU 4 HG3 DHB 4 18.234 4.027 -4.640
19 H ILE 5 HN ILE 5 14.507 4.979 -1.719
20 HA ILE 5 HA ILE 5 14.867 6.717 0.226
21 HB ILE 5 HB ILE 5 13.175 8.034 -1.806
22 HG12 ILE 5 HG12 ILE 5 15.581 8.594 -0.868
23 HG13 ILE 5 HG11 ILE 5 14.448 9.894 -1.221
24 HG21 ILE 5 HG21 ILE 5 12.117 9.410 0.079
25 HG22 ILE 5 HG22 ILE 5 12.621 8.119 1.173
26 HG23 ILE 5 HG23 ILE 5 11.475 7.779 -0.127
27 HD11 ILE 5 HD11 ILE 5 14.006 10.301 1.037
28 HD12 ILE 5 HD12 ILE 5 15.708 9.840 1.099
29 HD13 ILE 5 HD13 ILE 5 14.461 8.667 1.522
30 HA PRO 6 HA PRO 6 10.330 5.045 0.686
31 HB2 PRO 6 HB2 PRO 6 10.152 3.172 -1.586
32 HB3 PRO 6 HB1 PRO 6 8.991 4.397 -1.046
33 HG2 PRO 6 HG2 PRO 6 10.423 4.668 -3.301
34 HG3 PRO 6 HG1 PRO 6 9.947 6.050 -2.297
35 HD2 PRO 6 HD2 PRO 6 12.621 4.703 -2.489
36 HD3 PRO 6 HD1 PRO 6 12.234 6.418 -2.302
37 H DAL 7 HN DAL 7 13.272 3.706 0.214
38 HA DAL 7 HA DAL 7 12.717 0.957 0.901
39 HB1 DAL 7 HB2 DAL 7 14.419 2.000 2.967
40 HB2 DAL 7 HB3 DAL 7 12.946 1.048 3.126
41 H LEU 8 HN LEU 8 14.482 3.100 -0.693
42 HA LEU 8 HA LEU 8 16.641 1.340 -1.236
43 HB2 LEU 8 HB2 LEU 8 16.075 4.244 -1.833
44 HB3 LEU 8 HB1 LEU 8 17.612 3.505 -2.275
45 HG LEU 8 HG LEU 8 15.640 3.490 -4.002
46 HD11 LEU 8 HD11 LEU 8 16.393 0.932 -4.432
47 HD12 LEU 8 HD12 LEU 8 17.643 1.431 -3.292
48 HD13 LEU 8 HD13 LEU 8 17.420 2.318 -4.800
49 HD21 LEU 8 HD21 LEU 8 14.253 1.432 -3.809
50 HD22 LEU 8 HD22 LEU 8 13.934 2.577 -2.507
51 HD23 LEU 8 HD23 LEU 8 14.929 1.154 -2.204
52 H MET 9 HN MET 9 16.176 4.113 0.861
53 HA MET 9 HA MET 9 18.837 4.524 1.694
54 HB2 MET 9 HB2 MET 9 16.340 4.960 3.335
55 HB3 MET 9 HB1 MET 9 17.864 5.830 3.463
56 HG2 MET 9 HG2 MET 9 17.068 6.046 0.766
57 HG3 MET 9 HG1 MET 9 15.630 6.340 1.744
58 HE1 MET 9 HE1 MET 9 18.394 8.586 0.100
59 HE2 MET 9 HE2 MET 9 18.937 7.014 0.682
60 HE3 MET 9 HE3 MET 9 19.550 8.485 1.434
61 H DBB 10 HN DBB 10 16.230 2.474 2.977
62 HA DBB 10 HA DBB 10 18.243 1.125 4.674
63 HB2 DBB 10 HB2 DBB 10 17.127 -0.068 2.646
64 HG1 DBB 10 HG1 DBB 10 14.900 0.102 4.618
65 HG2 DBB 10 HG2 DBB 10 15.064 -1.343 3.633
66 HG3 DBB 10 HG3 DBB 10 14.869 0.220 2.866
67 H GLY 11 HN GLY 11 15.000 2.405 4.480
68 HA2 GLY 11 HA2 GLY 11 14.195 1.431 7.049
69 HA3 GLY 11 HA1 GLY 11 14.721 3.103 7.077
70 H CYS 12 HN CYS 12 12.472 0.881 5.484
71 HA CYS 12 HA CYS 12 10.362 2.873 5.557
72 HB2 CYS 12 HB2 CYS 12 10.840 1.728 2.865
73 HB3 CYS 12 HB1 CYS 12 10.112 3.268 3.304
74 H GLY 13 HN GLY 13 8.947 1.569 3.389
75 HA2 GLY 13 HA2 GLY 13 8.448 -1.139 4.458
76 HA3 GLY 13 HA1 GLY 13 7.115 -0.016 4.226
77 H TRP 14 HN TRP 14 9.679 0.288 2.028
78 HA TRP 14 HA TRP 14 8.219 0.060 -0.264
79 HB2 TRP 14 HB2 TRP 14 10.358 -0.363 -1.425
80 HB3 TRP 14 HB1 TRP 14 10.483 0.929 -0.258
81 HD1 TRP 14 HD1 TRP 14 10.500 -1.484 2.143
82 HE1 TRP 14 HE1 TRP 14 12.805 -2.526 2.633
83 HE3 TRP 14 HE3 TRP 14 12.981 -0.156 -2.111
84 HZ2 TRP 14 HZ2 TRP 14 15.368 -2.769 1.377
85 HZ3 TRP 14 HZ3 TRP 14 15.348 -0.805 -2.443
86 HH2 TRP 14 HH2 TRP 14 16.544 -2.109 -0.707
87 H LEU 15 HN LEU 15 10.534 -2.273 -0.795
88 HA LEU 15 HA LEU 15 8.489 -4.335 -1.105
89 HB2 LEU 15 HB2 LEU 15 10.685 -5.398 -2.244
90 HB3 LEU 15 HB1 LEU 15 9.615 -4.289 -3.100
91 HG LEU 15 HG LEU 15 11.922 -3.254 -1.454
92 HD11 LEU 15 HD11 LEU 15 13.395 -4.133 -2.895
93 HD12 LEU 15 HD12 LEU 15 12.642 -3.188 -4.181
94 HD13 LEU 15 HD13 LEU 15 12.094 -4.834 -3.859
95 HD21 LEU 15 HD21 LEU 15 11.547 -1.235 -2.538
96 HD22 LEU 15 HD22 LEU 15 9.903 -1.879 -2.547
97 HD23 LEU 15 HD23 LEU 15 10.911 -2.013 -3.988
98 H DBU 16 HN DHB 16 11.345 -3.560 0.747
99 HB DBU 16 HB DHB 16 13.125 -6.396 2.916
100 HG1 DBU 16 HG1 DHB 16 13.810 -5.268 0.239
101 HG2 DBU 16 HG2 DHB 16 13.213 -6.926 0.145
102 HG3 DBU 16 HG3 DHB 16 14.645 -6.556 1.108
103 H GLY 17 HN GLY 17 11.495 -3.079 3.345
104 HA2 GLY 17 HA2 GLY 17 9.532 -2.585 4.777
105 HA3 GLY 17 HA1 GLY 17 9.629 -4.256 5.319
106 H LEU 18 HN LEU 18 11.996 -4.807 6.100
107 HA LEU 18 HA LEU 18 12.655 -2.768 8.120
108 HB2 LEU 18 HB2 LEU 18 13.253 -5.730 7.988
109 HB3 LEU 18 HB1 LEU 18 13.819 -4.656 9.270
110 HG LEU 18 HG LEU 18 10.904 -5.022 8.524
111 HD11 LEU 18 HD11 LEU 18 11.602 -7.103 9.454
112 HD12 LEU 18 HD12 LEU 18 10.869 -6.217 10.793
113 HD13 LEU 18 HD13 LEU 18 12.624 -6.308 10.651
114 HD21 LEU 18 HD21 LEU 18 11.072 -4.081 11.108
115 HD22 LEU 18 HD22 LEU 18 10.784 -3.073 9.688
116 HD23 LEU 18 HD23 LEU 18 12.419 -3.254 10.327
117 H CYS 19 HN CYS 19 13.685 -3.676 5.139
118 HA CYS 19 HA CYS 19 15.565 -3.047 3.959
119 HB2 CYS 19 HB2 CYS 19 15.731 -1.211 5.748
120 HB3 CYS 19 HB1 CYS 19 16.886 -2.265 6.555
121 H VAL 20 HN VAL 20 15.898 -5.211 3.452
122 HA VAL 20 HA VAL 20 17.801 -6.684 5.157
123 HB VAL 20 HB VAL 20 16.419 -7.936 2.822
124 HG11 VAL 20 HG11 VAL 20 18.056 -8.789 4.928
125 HG12 VAL 20 HG12 VAL 20 17.126 -9.822 3.841
126 HG13 VAL 20 HG13 VAL 20 16.437 -9.320 5.385
127 HG21 VAL 20 HG21 VAL 20 14.689 -6.592 4.048
128 HG22 VAL 20 HG22 VAL 20 15.105 -7.472 5.518
129 HG23 VAL 20 HG23 VAL 20 14.412 -8.331 4.143
130 H ARG 21 HN ARG 21 17.532 -4.918 2.256
131 HA ARG 21 HA ARG 21 19.283 -6.186 0.516
132 HB2 ARG 21 HB2 ARG 21 17.970 -4.154 -0.046
133 HB3 ARG 21 HB1 ARG 21 19.064 -3.194 0.953
134 HG2 ARG 21 HG2 ARG 21 20.972 -3.958 -0.451
135 HG3 ARG 21 HG1 ARG 21 19.838 -4.837 -1.477
136 HD2 ARG 21 HD2 ARG 21 20.277 -2.713 -2.533
137 HD3 ARG 21 HD1 ARG 21 18.640 -2.660 -1.883
138 HE ARG 21 HE ARG 21 20.431 -1.652 0.056
139 HH11 ARG 21 HH11 ARG 21 19.085 -0.925 -3.047
140 HH12 ARG 21 HH12 ARG 21 19.196 0.793 -2.845
141 HH21 ARG 21 HH21 ARG 21 20.589 0.598 0.323
142 HH22 ARG 21 HH22 ARG 21 20.046 1.654 -0.936
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 10.844 1.803 -6.140
2 H2 ALA 1 HT2 ALA 1 9.990 0.495 -6.808
3 H3 ALA 1 HT3 ALA 1 9.156 1.885 -6.295
4 HA ALA 1 HA ALA 1 10.966 1.598 -8.622
5 HB1 ALA 1 HB1 ALA 1 8.849 2.697 -9.669
6 HB2 ALA 1 HB2 ALA 1 8.043 2.185 -8.187
7 HB3 ALA 1 HB3 ALA 1 8.782 0.985 -9.247
8 H GLY 2 HN GLY 2 10.704 3.411 -5.972
9 HA2 GLY 2 HA2 GLY 2 10.408 6.071 -6.882
10 HA3 GLY 2 HA1 GLY 2 11.228 5.577 -5.404
11 H GLY 3 HN GLY 3 13.148 3.874 -6.772
12 HA2 GLY 3 HA2 GLY 3 15.051 4.004 -8.152
13 HA3 GLY 3 HA1 GLY 3 14.662 5.688 -8.495
14 H DBU 4 HN DHB 4 14.361 5.069 -5.204
15 HB DBU 4 HB DHB 4 17.926 5.873 -3.229
16 HG1 DBU 4 HG1 DHB 4 19.144 5.241 -5.401
17 HG2 DBU 4 HG2 DHB 4 17.782 4.197 -5.800
18 HG3 DBU 4 HG3 DHB 4 18.792 3.829 -4.402
19 H ILE 5 HN ILE 5 14.977 5.030 -2.204
20 HA ILE 5 HA ILE 5 14.858 6.987 -0.462
21 HB ILE 5 HB ILE 5 13.313 7.890 -2.825
22 HG12 ILE 5 HG12 ILE 5 15.535 8.809 -1.736
23 HG13 ILE 5 HG11 ILE 5 14.322 9.940 -2.327
24 HG21 ILE 5 HG21 ILE 5 12.033 9.388 -1.075
25 HG22 ILE 5 HG22 ILE 5 12.355 8.041 0.019
26 HG23 ILE 5 HG23 ILE 5 11.421 7.777 -1.456
27 HD11 ILE 5 HD11 ILE 5 13.770 10.648 -0.222
28 HD12 ILE 5 HD12 ILE 5 15.384 10.058 0.171
29 HD13 ILE 5 HD13 ILE 5 13.975 9.044 0.478
30 HA PRO 6 HA PRO 6 10.431 4.881 -0.491
31 HB2 PRO 6 HB2 PRO 6 11.098 2.623 -2.300
32 HB3 PRO 6 HB1 PRO 6 9.606 3.577 -2.186
33 HG2 PRO 6 HG2 PRO 6 11.301 3.901 -4.225
34 HG3 PRO 6 HG1 PRO 6 10.396 5.256 -3.531
35 HD2 PRO 6 HD2 PRO 6 13.283 4.567 -3.197
36 HD3 PRO 6 HD1 PRO 6 12.497 6.156 -3.266
37 H DAL 7 HN DAL 7 13.422 3.098 -1.004
38 HA DAL 7 HA DAL 7 12.990 0.833 0.419
39 HB1 DAL 7 HB2 DAL 7 13.208 3.165 2.168
40 HB2 DAL 7 HB3 DAL 7 14.206 1.788 2.625
41 H LEU 8 HN LEU 8 15.009 2.859 -1.177
42 HA LEU 8 HA LEU 8 17.189 0.972 -0.999
43 HB2 LEU 8 HB2 LEU 8 17.321 3.685 -2.315
44 HB3 LEU 8 HB1 LEU 8 18.172 2.204 -2.759
45 HG LEU 8 HG LEU 8 15.256 2.872 -3.141
46 HD11 LEU 8 HD11 LEU 8 17.643 2.416 -4.838
47 HD12 LEU 8 HD12 LEU 8 16.226 3.427 -5.131
48 HD13 LEU 8 HD13 LEU 8 16.144 1.690 -5.421
49 HD21 LEU 8 HD21 LEU 8 16.562 0.226 -2.756
50 HD22 LEU 8 HD22 LEU 8 15.432 0.349 -4.103
51 HD23 LEU 8 HD23 LEU 8 14.891 0.709 -2.464
52 H MET 9 HN MET 9 16.190 3.776 0.613
53 HA MET 9 HA MET 9 18.666 4.918 1.362
54 HB2 MET 9 HB2 MET 9 16.063 4.942 2.907
55 HB3 MET 9 HB1 MET 9 17.374 6.115 3.012
56 HG2 MET 9 HG2 MET 9 17.033 6.675 0.611
57 HG3 MET 9 HG1 MET 9 15.658 5.574 0.583
58 HE1 MET 9 HE1 MET 9 17.246 8.743 1.755
59 HE2 MET 9 HE2 MET 9 16.940 8.126 3.376
60 HE3 MET 9 HE3 MET 9 16.075 9.552 2.806
61 H DBB 10 HN DBB 10 16.619 2.409 2.766
62 HA DBB 10 HA DBB 10 18.889 1.614 4.464
63 HB2 DBB 10 HB2 DBB 10 18.103 -0.047 2.878
64 HG1 DBB 10 HG1 DBB 10 15.753 0.946 2.947
65 HG2 DBB 10 HG2 DBB 10 15.466 -0.149 4.290
66 HG3 DBB 10 HG3 DBB 10 15.909 -0.788 2.706
67 H GLY 11 HN GLY 11 15.294 1.629 4.642
68 HA2 GLY 11 HA2 GLY 11 14.956 1.140 7.296
69 HA3 GLY 11 HA1 GLY 11 15.446 2.823 7.247
70 H CYS 12 HN CYS 12 13.257 0.805 5.279
71 HA CYS 12 HA CYS 12 11.031 2.611 5.961
72 HB2 CYS 12 HB2 CYS 12 10.413 2.869 3.641
73 HB3 CYS 12 HB1 CYS 12 12.105 3.333 3.796
74 H GLY 13 HN GLY 13 9.396 1.460 3.895
75 HA2 GLY 13 HA2 GLY 13 9.129 -1.331 4.811
76 HA3 GLY 13 HA1 GLY 13 7.732 -0.269 4.665
77 H TRP 14 HN TRP 14 9.760 0.702 2.341
78 HA TRP 14 HA TRP 14 8.590 0.516 0.086
79 HB2 TRP 14 HB2 TRP 14 10.647 -0.198 -1.108
80 HB3 TRP 14 HB1 TRP 14 10.970 0.988 0.144
81 HD1 TRP 14 HD1 TRP 14 10.497 -1.594 2.321
82 HE1 TRP 14 HE1 TRP 14 12.597 -3.009 2.818
83 HE3 TRP 14 HE3 TRP 14 13.376 -0.288 -1.670
84 HZ2 TRP 14 HZ2 TRP 14 15.174 -3.506 1.654
85 HZ3 TRP 14 HZ3 TRP 14 15.643 -1.240 -1.961
86 HH2 TRP 14 HH2 TRP 14 16.544 -2.846 -0.304
87 H LEU 15 HN LEU 15 10.496 -2.245 -0.428
88 HA LEU 15 HA LEU 15 8.080 -3.848 -0.851
89 HB2 LEU 15 HB2 LEU 15 9.942 -5.266 -2.110
90 HB3 LEU 15 HB1 LEU 15 9.197 -3.858 -2.872
91 HG LEU 15 HG LEU 15 11.683 -3.589 -1.183
92 HD11 LEU 15 HD11 LEU 15 11.753 -3.853 -4.180
93 HD12 LEU 15 HD12 LEU 15 11.866 -5.278 -3.149
94 HD13 LEU 15 HD13 LEU 15 13.077 -4.003 -3.025
95 HD21 LEU 15 HD21 LEU 15 11.204 -1.900 -3.567
96 HD22 LEU 15 HD22 LEU 15 11.718 -1.436 -1.945
97 HD23 LEU 15 HD23 LEU 15 10.010 -1.713 -2.284
98 H DBU 16 HN DHB 16 11.067 -3.655 0.928
99 HB DBU 16 HB DHB 16 12.491 -6.686 3.012
100 HG1 DBU 16 HG1 DHB 16 12.550 -6.620 0.059
101 HG2 DBU 16 HG2 DHB 16 13.807 -7.208 1.146
102 HG3 DBU 16 HG3 DHB 16 13.725 -5.494 0.737
103 H GLY 17 HN GLY 17 10.603 -3.170 3.464
104 HA2 GLY 17 HA2 GLY 17 8.580 -3.045 4.909
105 HA3 GLY 17 HA1 GLY 17 8.999 -4.661 5.466
106 H LEU 18 HN LEU 18 11.880 -4.054 5.499
107 HA LEU 18 HA LEU 18 12.310 -1.891 7.342
108 HB2 LEU 18 HB2 LEU 18 13.229 -3.660 9.082
109 HB3 LEU 18 HB1 LEU 18 11.536 -3.170 9.107
110 HG LEU 18 HG LEU 18 12.241 -5.432 7.309
111 HD11 LEU 18 HD11 LEU 18 13.308 -6.557 8.966
112 HD12 LEU 18 HD12 LEU 18 11.705 -6.725 9.685
113 HD13 LEU 18 HD13 LEU 18 12.772 -5.419 10.202
114 HD21 LEU 18 HD21 LEU 18 9.988 -5.485 7.321
115 HD22 LEU 18 HD22 LEU 18 9.936 -4.250 8.578
116 HD23 LEU 18 HD23 LEU 18 10.046 -5.953 9.021
117 H CYS 19 HN CYS 19 13.794 -1.477 5.611
118 HA CYS 19 HA CYS 19 15.683 -2.084 4.263
119 HB2 CYS 19 HB2 CYS 19 16.097 -0.278 6.005
120 HB3 CYS 19 HB1 CYS 19 16.856 -1.530 6.987
121 H VAL 20 HN VAL 20 15.001 -4.476 4.295
122 HA VAL 20 HA VAL 20 16.300 -6.304 6.023
123 HB VAL 20 HB VAL 20 15.218 -6.631 3.217
124 HG11 VAL 20 HG11 VAL 20 15.702 -8.881 3.291
125 HG12 VAL 20 HG12 VAL 20 15.628 -8.946 5.052
126 HG13 VAL 20 HG13 VAL 20 17.057 -8.289 4.253
127 HG21 VAL 20 HG21 VAL 20 13.388 -6.213 4.620
128 HG22 VAL 20 HG22 VAL 20 14.149 -6.995 6.006
129 HG23 VAL 20 HG23 VAL 20 13.506 -7.972 4.687
130 H ARG 21 HN ARG 21 17.144 -5.022 2.822
131 HA ARG 21 HA ARG 21 19.473 -6.536 2.405
132 HB2 ARG 21 HB2 ARG 21 18.356 -5.177 0.654
133 HB3 ARG 21 HB1 ARG 21 18.913 -3.710 1.462
134 HG2 ARG 21 HG2 ARG 21 21.263 -4.506 1.209
135 HG3 ARG 21 HG1 ARG 21 20.667 -5.904 0.312
136 HD2 ARG 21 HD2 ARG 21 20.184 -3.021 -0.484
137 HD3 ARG 21 HD1 ARG 21 21.431 -4.051 -1.178
138 HE ARG 21 HE ARG 21 18.635 -4.105 -1.812
139 HH11 ARG 21 HH11 ARG 21 21.501 -6.015 -1.470
140 HH12 ARG 21 HH12 ARG 21 20.993 -7.227 -2.597
141 HH21 ARG 21 HH21 ARG 21 17.964 -5.690 -3.293
142 HH22 ARG 21 HH22 ARG 21 18.990 -7.044 -3.630
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 12.476 -2.725 -7.834
2 H2 ALA 1 HT2 ALA 1 11.069 -1.806 -8.096
3 H3 ALA 1 HT3 ALA 1 11.972 -1.597 -6.672
4 HA ALA 1 HA ALA 1 13.889 -0.928 -8.177
5 HB1 ALA 1 HB1 ALA 1 13.430 -0.380 -10.392
6 HB2 ALA 1 HB2 ALA 1 11.705 -0.177 -10.091
7 HB3 ALA 1 HB3 ALA 1 12.400 -1.795 -10.178
8 H GLY 2 HN GLY 2 13.796 0.417 -6.315
9 HA2 GLY 2 HA2 GLY 2 11.792 2.529 -6.198
10 HA3 GLY 2 HA1 GLY 2 13.068 2.229 -5.020
11 H GLY 3 HN GLY 3 12.329 4.773 -6.164
12 HA2 GLY 3 HA2 GLY 3 14.398 5.472 -8.082
13 HA3 GLY 3 HA1 GLY 3 13.202 6.562 -7.386
14 H DBU 4 HN DHB 4 14.347 4.959 -4.801
15 HB DBU 4 HB DHB 4 17.759 6.231 -3.003
16 HG1 DBU 4 HG1 DHB 4 18.947 5.720 -5.161
17 HG2 DBU 4 HG2 DHB 4 17.534 4.830 -5.728
18 HG3 DBU 4 HG3 DHB 4 18.500 4.195 -4.397
19 H ILE 5 HN ILE 5 14.763 5.152 -1.911
20 HA ILE 5 HA ILE 5 14.679 6.983 -0.019
21 HB ILE 5 HB ILE 5 13.101 8.025 -2.290
22 HG12 ILE 5 HG12 ILE 5 15.293 8.916 -1.138
23 HG13 ILE 5 HG11 ILE 5 14.043 10.061 -1.616
24 HG21 ILE 5 HG21 ILE 5 11.685 9.322 -0.585
25 HG22 ILE 5 HG22 ILE 5 12.182 8.105 0.593
26 HG23 ILE 5 HG23 ILE 5 11.250 7.629 -0.829
27 HD11 ILE 5 HD11 ILE 5 13.533 10.590 0.544
28 HD12 ILE 5 HD12 ILE 5 15.132 9.933 0.892
29 HD13 ILE 5 HD13 ILE 5 13.701 8.921 1.089
30 HA PRO 6 HA PRO 6 10.280 4.834 -0.114
31 HB2 PRO 6 HB2 PRO 6 10.925 2.724 -2.100
32 HB3 PRO 6 HB1 PRO 6 9.431 3.657 -1.890
33 HG2 PRO 6 HG2 PRO 6 11.083 4.140 -3.927
34 HG3 PRO 6 HG1 PRO 6 10.190 5.438 -3.117
35 HD2 PRO 6 HD2 PRO 6 13.085 4.728 -2.882
36 HD3 PRO 6 HD1 PRO 6 12.300 6.316 -2.829
37 H DAL 7 HN DAL 7 13.297 3.170 -0.785
38 HA DAL 7 HA DAL 7 12.937 0.786 0.470
39 HB1 DAL 7 HB2 DAL 7 13.074 3.013 2.352
40 HB2 DAL 7 HB3 DAL 7 14.125 1.653 2.732
41 H LEU 8 HN LEU 8 14.814 2.816 -1.145
42 HA LEU 8 HA LEU 8 17.071 1.078 -1.118
43 HB2 LEU 8 HB2 LEU 8 17.068 3.920 -2.139
44 HB3 LEU 8 HB1 LEU 8 18.000 2.544 -2.732
45 HG LEU 8 HG LEU 8 15.065 3.117 -3.071
46 HD11 LEU 8 HD11 LEU 8 17.462 2.705 -4.802
47 HD12 LEU 8 HD12 LEU 8 16.138 3.856 -4.972
48 HD13 LEU 8 HD13 LEU 8 15.901 2.168 -5.425
49 HD21 LEU 8 HD21 LEU 8 14.738 0.907 -2.536
50 HD22 LEU 8 HD22 LEU 8 16.423 0.479 -2.839
51 HD23 LEU 8 HD23 LEU 8 15.304 0.661 -4.189
52 H MET 9 HN MET 9 16.098 3.813 0.693
53 HA MET 9 HA MET 9 18.565 4.848 1.551
54 HB2 MET 9 HB2 MET 9 15.962 4.735 3.093
55 HB3 MET 9 HB1 MET 9 17.275 5.888 3.323
56 HG2 MET 9 HG2 MET 9 16.951 6.627 0.941
57 HG3 MET 9 HG1 MET 9 15.523 5.598 0.880
58 HE1 MET 9 HE1 MET 9 16.551 9.430 2.607
59 HE2 MET 9 HE2 MET 9 17.493 7.944 2.726
60 HE3 MET 9 HE3 MET 9 16.481 8.449 4.076
61 H DBB 10 HN DBB 10 16.522 2.240 2.816
62 HA DBB 10 HA DBB 10 18.828 1.333 4.412
63 HB2 DBB 10 HB2 DBB 10 17.921 -0.196 2.693
64 HG1 DBB 10 HG1 DBB 10 15.478 -0.456 4.415
65 HG2 DBB 10 HG2 DBB 10 15.741 -1.054 2.777
66 HG3 DBB 10 HG3 DBB 10 15.569 0.673 3.069
67 H GLY 11 HN GLY 11 15.241 1.441 4.632
68 HA2 GLY 11 HA2 GLY 11 14.945 0.753 7.267
69 HA3 GLY 11 HA1 GLY 11 15.415 2.443 7.302
70 H CYS 12 HN CYS 12 13.196 0.457 5.322
71 HA CYS 12 HA CYS 12 10.963 2.210 6.101
72 HB2 CYS 12 HB2 CYS 12 10.297 2.547 3.797
73 HB3 CYS 12 HB1 CYS 12 11.973 3.064 3.964
74 H GLY 13 HN GLY 13 9.350 1.120 3.951
75 HA2 GLY 13 HA2 GLY 13 9.090 -1.710 4.747
76 HA3 GLY 13 HA1 GLY 13 7.689 -0.645 4.651
77 H TRP 14 HN TRP 14 9.678 0.457 2.349
78 HA TRP 14 HA TRP 14 8.450 0.305 0.105
79 HB2 TRP 14 HB2 TRP 14 10.522 -0.196 -1.145
80 HB3 TRP 14 HB1 TRP 14 10.811 0.910 0.183
81 HD1 TRP 14 HD1 TRP 14 10.522 -1.779 2.210
82 HE1 TRP 14 HE1 TRP 14 12.682 -3.145 2.568
83 HE3 TRP 14 HE3 TRP 14 13.200 -0.214 -1.824
84 HZ2 TRP 14 HZ2 TRP 14 15.219 -3.518 1.288
85 HZ3 TRP 14 HZ3 TRP 14 15.481 -1.084 -2.242
86 HH2 TRP 14 HH2 TRP 14 16.494 -2.732 -0.692
87 H LEU 15 HN LEU 15 10.507 -2.349 -0.513
88 HA LEU 15 HA LEU 15 8.173 -4.114 -0.815
89 HB2 LEU 15 HB2 LEU 15 9.825 -5.220 -2.514
90 HB3 LEU 15 HB1 LEU 15 8.981 -3.739 -2.975
91 HG LEU 15 HG LEU 15 11.663 -3.624 -1.607
92 HD11 LEU 15 HD11 LEU 15 11.911 -3.201 -4.424
93 HD12 LEU 15 HD12 LEU 15 11.161 -4.776 -4.159
94 HD13 LEU 15 HD13 LEU 15 12.718 -4.405 -3.419
95 HD21 LEU 15 HD21 LEU 15 9.830 -1.680 -2.323
96 HD22 LEU 15 HD22 LEU 15 10.940 -1.673 -3.692
97 HD23 LEU 15 HD23 LEU 15 11.550 -1.399 -2.062
98 H DBU 16 HN DHB 16 11.338 -3.691 0.552
99 HB DBU 16 HB DHB 16 13.422 -6.689 2.060
100 HG1 DBU 16 HG1 DHB 16 14.645 -6.640 0.067
101 HG2 DBU 16 HG2 DHB 16 13.925 -5.082 -0.337
102 HG3 DBU 16 HG3 DHB 16 13.111 -6.575 -0.801
103 H GLY 17 HN GLY 17 11.194 -3.506 3.119
104 HA2 GLY 17 HA2 GLY 17 9.677 -3.458 4.939
105 HA3 GLY 17 HA1 GLY 17 9.674 -5.218 4.959
106 H LEU 18 HN LEU 18 11.343 -2.334 5.968
107 HA LEU 18 HA LEU 18 12.699 -1.972 7.803
108 HB2 LEU 18 HB2 LEU 18 12.531 -4.964 8.245
109 HB3 LEU 18 HB1 LEU 18 13.137 -3.768 9.388
110 HG LEU 18 HG LEU 18 10.311 -3.853 8.292
111 HD11 LEU 18 HD11 LEU 18 10.251 -4.172 11.052
112 HD12 LEU 18 HD12 LEU 18 11.623 -5.163 10.556
113 HD13 LEU 18 HD13 LEU 18 10.028 -5.455 9.863
114 HD21 LEU 18 HD21 LEU 18 11.867 -1.806 9.610
115 HD22 LEU 18 HD22 LEU 18 10.533 -2.303 10.650
116 HD23 LEU 18 HD23 LEU 18 10.208 -1.719 9.018
117 H CYS 19 HN CYS 19 13.967 -1.728 5.612
118 HA CYS 19 HA CYS 19 15.785 -2.440 4.247
119 HB2 CYS 19 HB2 CYS 19 16.341 -0.642 6.035
120 HB3 CYS 19 HB1 CYS 19 17.224 -1.941 6.836
121 H VAL 20 HN VAL 20 15.520 -4.665 3.871
122 HA VAL 20 HA VAL 20 16.899 -6.477 5.741
123 HB VAL 20 HB VAL 20 14.990 -7.053 3.463
124 HG11 VAL 20 HG11 VAL 20 16.304 -8.975 3.518
125 HG12 VAL 20 HG12 VAL 20 15.091 -9.369 4.737
126 HG13 VAL 20 HG13 VAL 20 16.683 -8.790 5.231
127 HG21 VAL 20 HG21 VAL 20 14.562 -7.639 6.386
128 HG22 VAL 20 HG22 VAL 20 13.361 -7.440 5.109
129 HG23 VAL 20 HG23 VAL 20 14.213 -6.032 5.746
130 H ARG 21 HN ARG 21 17.245 -4.895 2.740
131 HA ARG 21 HA ARG 21 18.981 -6.845 1.512
132 HB2 ARG 21 HB2 ARG 21 17.620 -5.267 0.168
133 HB3 ARG 21 HB1 ARG 21 18.567 -3.924 0.817
134 HG2 ARG 21 HG2 ARG 21 20.621 -4.916 -0.120
135 HG3 ARG 21 HG1 ARG 21 19.681 -6.260 -0.768
136 HD2 ARG 21 HD2 ARG 21 18.318 -4.588 -2.061
137 HD3 ARG 21 HD1 ARG 21 19.439 -3.338 -1.527
138 HE ARG 21 HE ARG 21 20.940 -5.411 -2.687
139 HH11 ARG 21 HH11 ARG 21 18.579 -3.023 -3.521
140 HH12 ARG 21 HH12 ARG 21 19.128 -2.850 -5.155
141 HH21 ARG 21 HH21 ARG 21 21.664 -5.194 -4.828
142 HH22 ARG 21 HH22 ARG 21 20.876 -4.080 -5.895
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 8.702 2.902 -8.791
2 H2 ALA 1 HT2 ALA 1 8.158 4.360 -8.110
3 H3 ALA 1 HT3 ALA 1 9.559 3.611 -7.509
4 HA ALA 1 HA ALA 1 9.394 4.473 -10.326
5 HB1 ALA 1 HB1 ALA 1 9.157 6.205 -8.124
6 HB2 ALA 1 HB2 ALA 1 9.560 6.652 -9.781
7 HB3 ALA 1 HB3 ALA 1 10.845 6.315 -8.622
8 H GLY 2 HN GLY 2 11.261 3.910 -7.354
9 HA2 GLY 2 HA2 GLY 2 13.222 2.668 -7.118
10 HA3 GLY 2 HA1 GLY 2 13.308 2.516 -8.871
11 H GLY 3 HN GLY 3 12.740 5.706 -8.000
12 HA2 GLY 3 HA2 GLY 3 15.231 6.638 -8.975
13 HA3 GLY 3 HA1 GLY 3 14.024 7.611 -8.139
14 H DBU 4 HN DHB 4 13.977 6.092 -5.705
15 HB DBU 4 HB DHB 4 17.294 6.042 -3.217
16 HG1 DBU 4 HG1 DHB 4 17.379 5.107 -6.115
17 HG2 DBU 4 HG2 DHB 4 18.582 4.804 -4.858
18 HG3 DBU 4 HG3 DHB 4 18.490 6.390 -5.628
19 H ILE 5 HN ILE 5 15.539 5.573 -2.088
20 HA ILE 5 HA ILE 5 14.632 6.746 -0.207
21 HB ILE 5 HB ILE 5 12.487 7.651 -2.118
22 HG12 ILE 5 HG12 ILE 5 14.823 8.725 -2.264
23 HG13 ILE 5 HG11 ILE 5 13.479 9.823 -1.962
24 HG21 ILE 5 HG21 ILE 5 12.899 7.907 0.855
25 HG22 ILE 5 HG22 ILE 5 11.437 7.447 -0.020
26 HG23 ILE 5 HG23 ILE 5 11.982 9.126 -0.031
27 HD11 ILE 5 HD11 ILE 5 15.742 9.738 -0.446
28 HD12 ILE 5 HD12 ILE 5 14.692 8.647 0.458
29 HD13 ILE 5 HD13 ILE 5 14.180 10.306 0.144
30 HA PRO 6 HA PRO 6 10.877 3.832 -0.697
31 HB2 PRO 6 HB2 PRO 6 11.094 2.054 -2.796
32 HB3 PRO 6 HB1 PRO 6 10.141 3.547 -2.826
33 HG2 PRO 6 HG2 PRO 6 12.693 2.940 -4.121
34 HG3 PRO 6 HG1 PRO 6 11.495 4.175 -4.503
35 HD2 PRO 6 HD2 PRO 6 13.951 4.593 -3.213
36 HD3 PRO 6 HD1 PRO 6 12.630 5.759 -3.376
37 H DAL 7 HN DAL 7 13.017 3.492 0.821
38 HA DAL 7 HA DAL 7 13.290 0.609 0.957
39 HB1 DAL 7 HB2 DAL 7 14.826 1.825 2.970
40 HB2 DAL 7 HB3 DAL 7 13.269 1.036 3.145
41 H LEU 8 HN LEU 8 14.835 2.760 -0.871
42 HA LEU 8 HA LEU 8 17.128 1.121 -1.224
43 HB2 LEU 8 HB2 LEU 8 16.920 4.036 -2.017
44 HB3 LEU 8 HB1 LEU 8 17.898 2.775 -2.771
45 HG LEU 8 HG LEU 8 14.901 3.087 -2.818
46 HD11 LEU 8 HD11 LEU 8 17.116 3.429 -4.700
47 HD12 LEU 8 HD12 LEU 8 15.458 4.016 -4.802
48 HD13 LEU 8 HD13 LEU 8 15.846 2.382 -5.330
49 HD21 LEU 8 HD21 LEU 8 16.590 0.636 -3.273
50 HD22 LEU 8 HD22 LEU 8 15.061 0.844 -4.129
51 HD23 LEU 8 HD23 LEU 8 15.084 0.790 -2.367
52 H MET 9 HN MET 9 16.346 3.864 0.740
53 HA MET 9 HA MET 9 18.975 4.565 1.566
54 HB2 MET 9 HB2 MET 9 16.387 4.934 3.091
55 HB3 MET 9 HB1 MET 9 17.871 5.871 3.269
56 HG2 MET 9 HG2 MET 9 17.604 6.474 0.788
57 HG3 MET 9 HG1 MET 9 15.973 5.816 0.918
58 HE1 MET 9 HE1 MET 9 14.937 7.254 4.145
59 HE2 MET 9 HE2 MET 9 14.668 6.106 2.836
60 HE3 MET 9 HE3 MET 9 13.890 7.686 2.788
61 H DBB 10 HN DBB 10 16.490 2.370 2.786
62 HA DBB 10 HA DBB 10 18.501 1.129 4.565
63 HB2 DBB 10 HB2 DBB 10 17.365 -0.134 2.596
64 HG1 DBB 10 HG1 DBB 10 15.125 -0.058 2.676
65 HG2 DBB 10 HG2 DBB 10 15.091 0.361 4.377
66 HG3 DBB 10 HG3 DBB 10 15.273 -1.313 3.887
67 H GLY 11 HN GLY 11 15.364 2.566 4.398
68 HA2 GLY 11 HA2 GLY 11 14.494 1.605 6.962
69 HA3 GLY 11 HA1 GLY 11 15.075 3.260 6.978
70 H CYS 12 HN CYS 12 12.819 1.104 5.282
71 HA CYS 12 HA CYS 12 10.791 3.199 5.290
72 HB2 CYS 12 HB2 CYS 12 11.198 1.939 2.637
73 HB3 CYS 12 HB1 CYS 12 10.655 3.564 3.037
74 H GLY 13 HN GLY 13 9.181 1.975 3.316
75 HA2 GLY 13 HA2 GLY 13 8.496 -0.607 4.606
76 HA3 GLY 13 HA1 GLY 13 7.282 0.556 4.087
77 H TRP 14 HN TRP 14 9.784 0.677 1.964
78 HA TRP 14 HA TRP 14 8.450 -0.109 -0.286
79 HB2 TRP 14 HB2 TRP 14 10.558 -0.165 -1.366
80 HB3 TRP 14 HB1 TRP 14 10.758 0.974 -0.041
81 HD1 TRP 14 HD1 TRP 14 10.875 -1.396 2.199
82 HE1 TRP 14 HE1 TRP 14 13.104 -2.666 2.481
83 HE3 TRP 14 HE3 TRP 14 13.045 -0.360 -2.296
84 HZ2 TRP 14 HZ2 TRP 14 15.492 -3.172 0.986
85 HZ3 TRP 14 HZ3 TRP 14 15.292 -1.243 -2.845
86 HH2 TRP 14 HH2 TRP 14 16.518 -2.646 -1.211
87 H LEU 15 HN LEU 15 9.382 -2.080 -1.683
88 HA LEU 15 HA LEU 15 8.161 -4.366 -1.172
89 HB2 LEU 15 HB2 LEU 15 10.109 -5.608 -2.209
90 HB3 LEU 15 HB1 LEU 15 9.529 -4.218 -3.128
91 HG LEU 15 HG LEU 15 11.759 -3.935 -1.121
92 HD11 LEU 15 HD11 LEU 15 13.344 -4.699 -2.572
93 HD12 LEU 15 HD12 LEU 15 12.455 -4.148 -3.993
94 HD13 LEU 15 HD13 LEU 15 12.007 -5.660 -3.201
95 HD21 LEU 15 HD21 LEU 15 11.123 -1.814 -1.738
96 HD22 LEU 15 HD22 LEU 15 10.510 -2.328 -3.303
97 HD23 LEU 15 HD23 LEU 15 12.243 -2.142 -3.054
98 H DBU 16 HN DHB 16 11.087 -3.345 0.545
99 HB DBU 16 HB DHB 16 12.633 -5.926 3.194
100 HG1 DBU 16 HG1 DHB 16 13.943 -6.788 1.438
101 HG2 DBU 16 HG2 DHB 16 13.593 -5.331 0.507
102 HG3 DBU 16 HG3 DHB 16 12.518 -6.726 0.401
103 H GLY 17 HN GLY 17 11.900 -2.823 3.553
104 HA2 GLY 17 HA2 GLY 17 10.074 -1.589 4.788
105 HA3 GLY 17 HA1 GLY 17 9.568 -3.181 5.338
106 H LEU 18 HN LEU 18 11.962 -4.384 5.948
107 HA LEU 18 HA LEU 18 12.831 -2.774 8.258
108 HB2 LEU 18 HB2 LEU 18 13.111 -5.742 7.723
109 HB3 LEU 18 HB1 LEU 18 13.633 -4.914 9.189
110 HG LEU 18 HG LEU 18 10.786 -5.009 8.145
111 HD11 LEU 18 HD11 LEU 18 11.576 -6.169 10.770
112 HD12 LEU 18 HD12 LEU 18 12.068 -7.062 9.332
113 HD13 LEU 18 HD13 LEU 18 10.363 -6.720 9.616
114 HD21 LEU 18 HD21 LEU 18 12.173 -3.421 10.214
115 HD22 LEU 18 HD22 LEU 18 10.692 -4.205 10.765
116 HD23 LEU 18 HD23 LEU 18 10.648 -3.105 9.388
117 H CYS 19 HN CYS 19 13.793 -3.334 5.195
118 HA CYS 19 HA CYS 19 15.764 -3.071 4.057
119 HB2 CYS 19 HB2 CYS 19 15.927 -1.125 5.756
120 HB3 CYS 19 HB1 CYS 19 17.067 -2.156 6.610
121 H VAL 20 HN VAL 20 16.159 -5.192 3.631
122 HA VAL 20 HA VAL 20 17.936 -6.624 5.509
123 HB VAL 20 HB VAL 20 17.134 -8.645 4.095
124 HG11 VAL 20 HG11 VAL 20 15.151 -7.175 5.861
125 HG12 VAL 20 HG12 VAL 20 16.497 -8.140 6.464
126 HG13 VAL 20 HG13 VAL 20 15.196 -8.912 5.558
127 HG21 VAL 20 HG21 VAL 20 15.025 -6.553 3.459
128 HG22 VAL 20 HG22 VAL 20 14.850 -8.280 3.150
129 HG23 VAL 20 HG23 VAL 20 16.084 -7.353 2.296
130 H ARG 21 HN ARG 21 18.022 -4.830 2.765
131 HA ARG 21 HA ARG 21 19.229 -5.784 0.670
132 HB2 ARG 21 HB2 ARG 21 20.903 -3.984 0.677
133 HB3 ARG 21 HB1 ARG 21 19.339 -3.387 1.241
134 HG2 ARG 21 HG2 ARG 21 20.058 -3.584 3.564
135 HG3 ARG 21 HG1 ARG 21 21.587 -4.302 3.061
136 HD2 ARG 21 HD2 ARG 21 21.935 -1.939 3.541
137 HD3 ARG 21 HD1 ARG 21 22.117 -2.214 1.811
138 HE ARG 21 HE ARG 21 19.432 -1.507 2.389
139 HH11 ARG 21 HH11 ARG 21 22.647 -0.232 2.280
140 HH12 ARG 21 HH12 ARG 21 22.143 1.381 1.904
141 HH21 ARG 21 HH21 ARG 21 18.764 0.605 1.893
142 HH22 ARG 21 HH22 ARG 21 19.945 1.854 1.685
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 4.200 4.258 -6.709
2 H2 ALA 1 HT2 ALA 1 5.368 4.121 -5.483
3 H3 ALA 1 HT3 ALA 1 5.847 4.413 -7.087
4 HA ALA 1 HA ALA 1 4.193 6.479 -6.664
5 HB1 ALA 1 HB1 ALA 1 5.721 5.962 -4.095
6 HB2 ALA 1 HB2 ALA 1 3.972 5.821 -4.281
7 HB3 ALA 1 HB3 ALA 1 4.754 7.392 -4.457
8 H GLY 2 HN GLY 2 7.277 6.224 -4.944
9 HA2 GLY 2 HA2 GLY 2 8.600 7.604 -7.202
10 HA3 GLY 2 HA1 GLY 2 8.816 8.147 -5.541
11 H GLY 3 HN GLY 3 10.712 7.016 -7.610
12 HA2 GLY 3 HA2 GLY 3 11.599 4.524 -6.363
13 HA3 GLY 3 HA1 GLY 3 12.266 5.254 -7.817
14 H DBU 4 HN DHB 4 12.613 4.868 -4.444
15 HB DBU 4 HB DHB 4 16.193 6.437 -3.201
16 HG1 DBU 4 HG1 DHB 4 17.077 4.673 -4.750
17 HG2 DBU 4 HG2 DHB 4 16.816 6.125 -5.715
18 HG3 DBU 4 HG3 DHB 4 15.639 4.812 -5.760
19 H ILE 5 HN ILE 5 14.473 5.517 -1.443
20 HA ILE 5 HA ILE 5 14.020 6.916 0.429
21 HB ILE 5 HB ILE 5 11.771 8.049 -1.217
22 HG12 ILE 5 HG12 ILE 5 14.170 8.651 -1.894
23 HG13 ILE 5 HG11 ILE 5 13.150 10.011 -1.443
24 HG21 ILE 5 HG21 ILE 5 11.125 8.211 1.043
25 HG22 ILE 5 HG22 ILE 5 11.917 9.757 0.732
26 HG23 ILE 5 HG23 ILE 5 12.781 8.479 1.587
27 HD11 ILE 5 HD11 ILE 5 15.599 9.639 -0.400
28 HD12 ILE 5 HD12 ILE 5 14.656 8.682 0.744
29 HD13 ILE 5 HD13 ILE 5 14.289 10.392 0.511
30 HA PRO 6 HA PRO 6 9.823 4.606 0.667
31 HB2 PRO 6 HB2 PRO 6 9.794 2.434 -1.108
32 HB3 PRO 6 HB1 PRO 6 8.847 3.916 -1.257
33 HG2 PRO 6 HG2 PRO 6 11.128 3.043 -2.798
34 HG3 PRO 6 HG1 PRO 6 10.028 4.388 -3.094
35 HD2 PRO 6 HD2 PRO 6 12.704 4.539 -2.151
36 HD3 PRO 6 HD1 PRO 6 11.552 5.863 -2.377
37 H DAL 7 HN DAL 7 12.993 3.700 0.388
38 HA DAL 7 HA DAL 7 12.683 1.109 1.722
39 HB1 DAL 7 HB2 DAL 7 14.673 2.891 2.973
40 HB2 DAL 7 HB3 DAL 7 13.601 1.704 3.703
41 H LEU 8 HN LEU 8 14.341 3.127 -0.453
42 HA LEU 8 HA LEU 8 16.272 1.040 -0.988
43 HB2 LEU 8 HB2 LEU 8 16.240 3.840 -2.140
44 HB3 LEU 8 HB1 LEU 8 17.014 2.409 -2.818
45 HG LEU 8 HG LEU 8 14.042 2.924 -2.539
46 HD11 LEU 8 HD11 LEU 8 14.435 3.817 -4.585
47 HD12 LEU 8 HD12 LEU 8 14.584 2.144 -5.119
48 HD13 LEU 8 HD13 LEU 8 16.026 3.069 -4.707
49 HD21 LEU 8 HD21 LEU 8 15.390 0.432 -2.388
50 HD22 LEU 8 HD22 LEU 8 14.694 0.531 -4.003
51 HD23 LEU 8 HD23 LEU 8 13.661 0.710 -2.585
52 H MET 9 HN MET 9 16.062 3.937 0.823
53 HA MET 9 HA MET 9 18.857 4.469 1.122
54 HB2 MET 9 HB2 MET 9 16.862 5.265 3.203
55 HB3 MET 9 HB1 MET 9 18.204 6.190 2.530
56 HG2 MET 9 HG2 MET 9 15.604 5.529 1.105
57 HG3 MET 9 HG1 MET 9 16.078 7.099 1.734
58 HE1 MET 9 HE1 MET 9 18.862 8.367 -0.409
59 HE2 MET 9 HE2 MET 9 19.118 7.445 1.070
60 HE3 MET 9 HE3 MET 9 17.766 8.569 0.965
61 H DBB 10 HN DBB 10 16.396 2.923 3.162
62 HA DBB 10 HA DBB 10 18.555 1.652 4.730
63 HB2 DBB 10 HB2 DBB 10 17.551 -0.446 4.539
64 HG1 DBB 10 HG1 DBB 10 17.078 1.144 2.039
65 HG2 DBB 10 HG2 DBB 10 16.649 -0.562 2.115
66 HG3 DBB 10 HG3 DBB 10 18.322 -0.060 2.367
67 H GLY 11 HN GLY 11 15.082 2.470 4.693
68 HA2 GLY 11 HA2 GLY 11 14.640 2.086 7.461
69 HA3 GLY 11 HA1 GLY 11 15.049 3.773 7.164
70 H CYS 12 HN CYS 12 12.998 1.258 5.652
71 HA CYS 12 HA CYS 12 10.663 2.990 5.888
72 HB2 CYS 12 HB2 CYS 12 11.234 1.880 3.190
73 HB3 CYS 12 HB1 CYS 12 10.228 3.254 3.618
74 H GLY 13 HN GLY 13 9.383 1.503 3.725
75 HA2 GLY 13 HA2 GLY 13 9.179 -1.222 4.816
76 HA3 GLY 13 HA1 GLY 13 7.725 -0.251 4.574
77 H TRP 14 HN TRP 14 10.347 0.266 2.439
78 HA TRP 14 HA TRP 14 9.074 0.009 0.053
79 HB2 TRP 14 HB2 TRP 14 11.273 -0.402 -0.965
80 HB3 TRP 14 HB1 TRP 14 11.430 0.780 0.324
81 HD1 TRP 14 HD1 TRP 14 10.926 -1.975 2.314
82 HE1 TRP 14 HE1 TRP 14 13.084 -3.224 2.992
83 HE3 TRP 14 HE3 TRP 14 14.130 -0.138 -1.178
84 HZ2 TRP 14 HZ2 TRP 14 15.809 -3.413 2.142
85 HZ3 TRP 14 HZ3 TRP 14 16.494 -0.862 -1.244
86 HH2 TRP 14 HH2 TRP 14 17.341 -2.494 0.415
87 H LEU 15 HN LEU 15 9.751 -1.812 -1.642
88 HA LEU 15 HA LEU 15 8.228 -3.969 -1.524
89 HB2 LEU 15 HB2 LEU 15 9.933 -5.254 -2.798
90 HB3 LEU 15 HB1 LEU 15 9.760 -3.600 -3.387
91 HG LEU 15 HG LEU 15 11.850 -4.432 -1.363
92 HD11 LEU 15 HD11 LEU 15 12.048 -4.154 -4.370
93 HD12 LEU 15 HD12 LEU 15 12.312 -5.617 -3.422
94 HD13 LEU 15 HD13 LEU 15 13.437 -4.266 -3.291
95 HD21 LEU 15 HD21 LEU 15 11.705 -2.144 -1.172
96 HD22 LEU 15 HD22 LEU 15 11.115 -1.920 -2.813
97 HD23 LEU 15 HD23 LEU 15 12.829 -2.231 -2.523
98 H DBU 16 HN DHB 16 11.241 -3.642 0.314
99 HB DBU 16 HB DHB 16 12.671 -6.459 2.606
100 HG1 DBU 16 HG1 DHB 16 14.048 -5.217 0.508
101 HG2 DBU 16 HG2 DHB 16 12.900 -6.228 -0.370
102 HG3 DBU 16 HG3 DHB 16 14.042 -6.963 0.755
103 H GLY 17 HN GLY 17 11.011 -3.286 3.238
104 HA2 GLY 17 HA2 GLY 17 8.794 -3.029 4.452
105 HA3 GLY 17 HA1 GLY 17 9.069 -4.694 4.957
106 H LEU 18 HN LEU 18 11.565 -4.886 5.728
107 HA LEU 18 HA LEU 18 11.783 -2.951 7.939
108 HB2 LEU 18 HB2 LEU 18 12.958 -5.714 7.563
109 HB3 LEU 18 HB1 LEU 18 13.297 -4.672 8.945
110 HG LEU 18 HG LEU 18 10.493 -5.470 8.126
111 HD11 LEU 18 HD11 LEU 18 10.585 -7.102 9.964
112 HD12 LEU 18 HD12 LEU 18 12.271 -6.682 10.264
113 HD13 LEU 18 HD13 LEU 18 11.815 -7.469 8.754
114 HD21 LEU 18 HD21 LEU 18 11.746 -4.072 10.490
115 HD22 LEU 18 HD22 LEU 18 10.171 -4.854 10.622
116 HD23 LEU 18 HD23 LEU 18 10.403 -3.532 9.479
117 H CYS 19 HN CYS 19 12.965 -3.343 4.917
118 HA CYS 19 HA CYS 19 14.686 -2.277 3.813
119 HB2 CYS 19 HB2 CYS 19 14.705 -1.005 6.380
120 HB3 CYS 19 HB1 CYS 19 16.369 -1.310 5.881
121 H VAL 20 HN VAL 20 15.319 -4.424 3.268
122 HA VAL 20 HA VAL 20 17.041 -6.031 4.813
123 HB VAL 20 HB VAL 20 16.677 -5.871 1.812
124 HG11 VAL 20 HG11 VAL 20 17.716 -8.065 1.732
125 HG12 VAL 20 HG12 VAL 20 17.875 -8.097 3.487
126 HG13 VAL 20 HG13 VAL 20 18.821 -6.952 2.536
127 HG21 VAL 20 HG21 VAL 20 14.636 -6.418 3.125
128 HG22 VAL 20 HG22 VAL 20 15.507 -7.745 3.896
129 HG23 VAL 20 HG23 VAL 20 15.184 -7.790 2.162
130 H ARG 21 HN ARG 21 17.709 -3.645 2.265
131 HA ARG 21 HA ARG 21 20.549 -3.978 2.371
132 HB2 ARG 21 HB2 ARG 21 18.782 -1.810 1.222
133 HB3 ARG 21 HB1 ARG 21 20.539 -1.809 1.070
134 HG2 ARG 21 HG2 ARG 21 20.460 -3.996 -0.049
135 HG3 ARG 21 HG1 ARG 21 18.706 -4.036 0.131
136 HD2 ARG 21 HD2 ARG 21 18.523 -1.984 -1.234
137 HD3 ARG 21 HD1 ARG 21 20.275 -1.962 -1.426
138 HE ARG 21 HE ARG 21 19.345 -4.469 -2.284
139 HH11 ARG 21 HH11 ARG 21 19.142 -1.115 -3.110
140 HH12 ARG 21 HH12 ARG 21 18.925 -1.404 -4.804
141 HH21 ARG 21 HH21 ARG 21 19.051 -4.855 -4.501
142 HH22 ARG 21 HH22 ARG 21 18.874 -3.522 -5.592
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 7.600 4.214 -4.981
2 H2 ALA 1 HT2 ALA 1 7.987 3.616 -6.524
3 H3 ALA 1 HT3 ALA 1 9.043 4.686 -5.733
4 HA ALA 1 HA ALA 1 9.415 3.026 -3.991
5 HB1 ALA 1 HB1 ALA 1 8.251 1.071 -3.920
6 HB2 ALA 1 HB2 ALA 1 8.303 0.866 -5.671
7 HB3 ALA 1 HB3 ALA 1 7.093 1.923 -4.941
8 H GLY 2 HN GLY 2 11.462 2.342 -4.223
9 HA2 GLY 2 HA2 GLY 2 13.344 1.394 -5.209
10 HA3 GLY 2 HA1 GLY 2 12.410 1.134 -6.678
11 H GLY 3 HN GLY 3 12.150 4.295 -5.452
12 HA2 GLY 3 HA2 GLY 3 13.925 5.280 -7.591
13 HA3 GLY 3 HA1 GLY 3 12.597 6.182 -6.870
14 H DBU 4 HN DHB 4 14.049 4.708 -4.325
15 HB DBU 4 HB DHB 4 17.299 6.433 -2.602
16 HG1 DBU 4 HG1 DHB 4 17.144 4.916 -5.264
17 HG2 DBU 4 HG2 DHB 4 18.153 4.390 -3.916
18 HG3 DBU 4 HG3 DHB 4 18.492 5.920 -4.728
19 H ILE 5 HN ILE 5 15.187 5.543 -1.081
20 HA ILE 5 HA ILE 5 14.554 7.095 0.645
21 HB ILE 5 HB ILE 5 12.619 8.141 -1.414
22 HG12 ILE 5 HG12 ILE 5 15.100 8.782 -1.581
23 HG13 ILE 5 HG11 ILE 5 13.965 10.123 -1.430
24 HG21 ILE 5 HG21 ILE 5 12.210 9.868 0.420
25 HG22 ILE 5 HG22 ILE 5 13.046 8.769 1.516
26 HG23 ILE 5 HG23 ILE 5 11.554 8.261 0.722
27 HD11 ILE 5 HD11 ILE 5 16.141 9.444 0.294
28 HD12 ILE 5 HD12 ILE 5 14.643 9.266 1.203
29 HD13 ILE 5 HD13 ILE 5 15.026 10.801 0.427
30 HA PRO 6 HA PRO 6 10.354 4.878 0.503
31 HB2 PRO 6 HB2 PRO 6 10.022 3.045 -1.517
32 HB3 PRO 6 HB1 PRO 6 9.472 4.723 -1.598
33 HG2 PRO 6 HG2 PRO 6 11.715 3.435 -2.952
34 HG3 PRO 6 HG1 PRO 6 10.861 4.925 -3.349
35 HD2 PRO 6 HD2 PRO 6 13.402 4.699 -2.117
36 HD3 PRO 6 HD1 PRO 6 12.460 6.171 -2.398
37 H DAL 7 HN DAL 7 13.428 3.620 0.074
38 HA DAL 7 HA DAL 7 12.871 0.882 0.770
39 HB1 DAL 7 HB2 DAL 7 14.521 1.880 2.888
40 HB2 DAL 7 HB3 DAL 7 13.012 0.984 2.997
41 H LEU 8 HN LEU 8 14.654 2.939 -0.890
42 HA LEU 8 HA LEU 8 16.819 1.121 -1.225
43 HB2 LEU 8 HB2 LEU 8 16.826 4.041 -2.019
44 HB3 LEU 8 HB1 LEU 8 17.733 2.719 -2.751
45 HG LEU 8 HG LEU 8 14.846 3.429 -3.035
46 HD11 LEU 8 HD11 LEU 8 15.821 2.040 -5.265
47 HD12 LEU 8 HD12 LEU 8 17.191 2.996 -4.702
48 HD13 LEU 8 HD13 LEU 8 15.667 3.787 -5.105
49 HD21 LEU 8 HD21 LEU 8 14.376 1.279 -2.271
50 HD22 LEU 8 HD22 LEU 8 15.933 0.639 -2.800
51 HD23 LEU 8 HD23 LEU 8 14.660 0.956 -3.979
52 H MET 9 HN MET 9 16.256 3.970 0.704
53 HA MET 9 HA MET 9 18.910 4.480 1.533
54 HB2 MET 9 HB2 MET 9 16.386 4.976 3.123
55 HB3 MET 9 HB1 MET 9 17.915 5.848 3.238
56 HG2 MET 9 HG2 MET 9 17.600 6.490 0.796
57 HG3 MET 9 HG1 MET 9 15.968 5.836 0.926
58 HE1 MET 9 HE1 MET 9 18.018 8.409 3.695
59 HE2 MET 9 HE2 MET 9 17.891 9.541 2.352
60 HE3 MET 9 HE3 MET 9 18.604 7.951 2.091
61 H DBB 10 HN DBB 10 16.325 2.423 2.831
62 HA DBB 10 HA DBB 10 18.329 1.155 4.602
63 HB2 DBB 10 HB2 DBB 10 17.210 -0.112 2.616
64 HG1 DBB 10 HG1 DBB 10 14.962 0.204 4.527
65 HG2 DBB 10 HG2 DBB 10 15.153 -1.354 3.751
66 HG3 DBB 10 HG3 DBB 10 14.951 0.085 2.775
67 H GLY 11 HN GLY 11 15.098 2.441 4.370
68 HA2 GLY 11 HA2 GLY 11 14.286 1.552 6.973
69 HA3 GLY 11 HA1 GLY 11 14.802 3.227 6.939
70 H CYS 12 HN CYS 12 12.559 0.929 5.438
71 HA CYS 12 HA CYS 12 10.452 2.926 5.413
72 HB2 CYS 12 HB2 CYS 12 10.945 1.710 2.763
73 HB3 CYS 12 HB1 CYS 12 10.253 3.278 3.157
74 H GLY 13 HN GLY 13 8.994 1.645 3.322
75 HA2 GLY 13 HA2 GLY 13 8.466 -1.051 4.410
76 HA3 GLY 13 HA1 GLY 13 7.155 0.092 4.148
77 H TRP 14 HN TRP 14 9.716 0.348 1.941
78 HA TRP 14 HA TRP 14 8.263 0.065 -0.350
79 HB2 TRP 14 HB2 TRP 14 10.406 -0.432 -1.488
80 HB3 TRP 14 HB1 TRP 14 10.533 0.909 -0.382
81 HD1 TRP 14 HD1 TRP 14 10.590 -1.209 2.198
82 HE1 TRP 14 HE1 TRP 14 12.849 -2.324 2.724
83 HE3 TRP 14 HE3 TRP 14 12.967 -0.516 -2.264
84 HZ2 TRP 14 HZ2 TRP 14 15.338 -2.857 1.421
85 HZ3 TRP 14 HZ3 TRP 14 15.279 -1.340 -2.596
86 HH2 TRP 14 HH2 TRP 14 16.467 -2.508 -0.761
87 H LEU 15 HN LEU 15 10.561 -2.298 -0.806
88 HA LEU 15 HA LEU 15 8.510 -4.345 -1.116
89 HB2 LEU 15 HB2 LEU 15 10.824 -5.461 -2.043
90 HB3 LEU 15 HB1 LEU 15 9.725 -4.499 -3.031
91 HG LEU 15 HG LEU 15 11.930 -3.210 -1.420
92 HD11 LEU 15 HD11 LEU 15 12.060 -4.443 -4.171
93 HD12 LEU 15 HD12 LEU 15 13.140 -4.709 -2.802
94 HD13 LEU 15 HD13 LEU 15 13.165 -3.167 -3.658
95 HD21 LEU 15 HD21 LEU 15 10.841 -2.224 -4.038
96 HD22 LEU 15 HD22 LEU 15 11.481 -1.302 -2.679
97 HD23 LEU 15 HD23 LEU 15 9.868 -2.007 -2.585
98 H DBU 16 HN DHB 16 11.448 -3.662 0.713
99 HB DBU 16 HB DHB 16 12.941 -6.481 3.104
100 HG1 DBU 16 HG1 DHB 16 12.977 -6.372 0.067
101 HG2 DBU 16 HG2 DHB 16 13.941 -7.417 1.113
102 HG3 DBU 16 HG3 DHB 16 14.379 -5.719 0.915
103 H GLY 17 HN GLY 17 11.663 -3.101 3.438
104 HA2 GLY 17 HA2 GLY 17 9.692 -2.356 4.767
105 HA3 GLY 17 HA1 GLY 17 9.586 -4.014 5.342
106 H LEU 18 HN LEU 18 11.982 -4.749 6.106
107 HA LEU 18 HA LEU 18 12.702 -2.789 8.184
108 HB2 LEU 18 HB2 LEU 18 13.102 -5.784 8.036
109 HB3 LEU 18 HB1 LEU 18 13.715 -4.764 9.338
110 HG LEU 18 HG LEU 18 10.796 -4.910 8.535
111 HD11 LEU 18 HD11 LEU 18 11.718 -7.060 9.482
112 HD12 LEU 18 HD12 LEU 18 10.453 -6.322 10.466
113 HD13 LEU 18 HD13 LEU 18 12.145 -6.165 10.941
114 HD21 LEU 18 HD21 LEU 18 11.415 -2.814 9.620
115 HD22 LEU 18 HD22 LEU 18 12.257 -3.689 10.899
116 HD23 LEU 18 HD23 LEU 18 10.503 -3.801 10.761
117 H CYS 19 HN CYS 19 13.684 -3.372 5.225
118 HA CYS 19 HA CYS 19 15.636 -3.068 4.066
119 HB2 CYS 19 HB2 CYS 19 15.781 -1.126 5.762
120 HB3 CYS 19 HB1 CYS 19 16.931 -2.139 6.623
121 H VAL 20 HN VAL 20 15.831 -5.316 3.794
122 HA VAL 20 HA VAL 20 17.836 -6.615 5.530
123 HB VAL 20 HB VAL 20 16.895 -8.744 4.497
124 HG11 VAL 20 HG11 VAL 20 16.269 -8.236 6.741
125 HG12 VAL 20 HG12 VAL 20 14.752 -8.556 5.902
126 HG13 VAL 20 HG13 VAL 20 15.245 -6.894 6.231
127 HG21 VAL 20 HG21 VAL 20 14.555 -8.466 3.598
128 HG22 VAL 20 HG22 VAL 20 15.803 -7.788 2.552
129 HG23 VAL 20 HG23 VAL 20 14.830 -6.724 3.567
130 H ARG 21 HN ARG 21 17.486 -5.096 2.600
131 HA ARG 21 HA ARG 21 19.045 -6.830 0.929
132 HB2 ARG 21 HB2 ARG 21 17.464 -5.152 0.013
133 HB3 ARG 21 HB1 ARG 21 18.503 -3.862 0.624
134 HG2 ARG 21 HG2 ARG 21 20.377 -4.744 -0.740
135 HG3 ARG 21 HG1 ARG 21 19.309 -5.991 -1.380
136 HD2 ARG 21 HD2 ARG 21 17.794 -4.162 -2.212
137 HD3 ARG 21 HD1 ARG 21 19.021 -2.996 -1.724
138 HE ARG 21 HE ARG 21 20.045 -5.069 -3.453
139 HH11 ARG 21 HH11 ARG 21 18.431 -2.015 -3.243
140 HH12 ARG 21 HH12 ARG 21 18.908 -1.497 -4.826
141 HH21 ARG 21 HH21 ARG 21 20.661 -4.405 -5.536
142 HH22 ARG 21 HH22 ARG 21 20.170 -2.852 -6.124
Start of MODEL 11
1 H1 ALA 1 HT1 ALA 1 8.524 3.439 -7.014
2 H2 ALA 1 HT2 ALA 1 9.241 4.960 -7.257
3 H3 ALA 1 HT3 ALA 1 10.083 3.743 -6.424
4 HA ALA 1 HA ALA 1 10.331 2.436 -8.369
5 HB1 ALA 1 HB1 ALA 1 8.476 2.549 -9.698
6 HB2 ALA 1 HB2 ALA 1 9.384 3.826 -10.508
7 HB3 ALA 1 HB3 ALA 1 8.170 4.240 -9.296
8 H GLY 2 HN GLY 2 12.415 3.207 -7.761
9 HA2 GLY 2 HA2 GLY 2 14.431 4.127 -8.473
10 HA3 GLY 2 HA1 GLY 2 13.547 5.071 -9.669
11 H GLY 3 HN GLY 3 15.442 6.461 -8.530
12 HA2 GLY 3 HA2 GLY 3 15.484 8.667 -7.678
13 HA3 GLY 3 HA1 GLY 3 14.003 8.326 -6.784
14 H DBU 4 HN DHB 4 15.700 5.651 -6.198
15 HB DBU 4 HB DHB 4 18.328 4.869 -3.435
16 HG1 DBU 4 HG1 DHB 4 19.328 4.850 -5.924
17 HG2 DBU 4 HG2 DHB 4 17.716 4.288 -6.368
18 HG3 DBU 4 HG3 DHB 4 18.717 3.326 -5.281
19 H ILE 5 HN ILE 5 15.008 5.112 -2.911
20 HA ILE 5 HA ILE 5 15.485 6.679 -0.642
21 HB ILE 5 HB ILE 5 13.565 7.829 -2.611
22 HG12 ILE 5 HG12 ILE 5 15.946 8.593 -1.085
23 HG13 ILE 5 HG11 ILE 5 15.267 9.331 -2.531
24 HG21 ILE 5 HG21 ILE 5 13.330 8.109 0.405
25 HG22 ILE 5 HG22 ILE 5 12.203 7.216 -0.617
26 HG23 ILE 5 HG23 ILE 5 12.356 8.964 -0.794
27 HD11 ILE 5 HD11 ILE 5 14.563 9.886 0.356
28 HD12 ILE 5 HD12 ILE 5 13.507 10.376 -0.969
29 HD13 ILE 5 HD13 ILE 5 15.146 11.020 -0.863
30 HA PRO 6 HA PRO 6 11.230 4.379 -0.347
31 HB2 PRO 6 HB2 PRO 6 11.336 2.491 -2.584
32 HB3 PRO 6 HB1 PRO 6 10.027 3.581 -2.087
33 HG2 PRO 6 HG2 PRO 6 11.491 3.975 -4.327
34 HG3 PRO 6 HG1 PRO 6 10.752 5.288 -3.399
35 HD2 PRO 6 HD2 PRO 6 13.607 4.431 -3.488
36 HD3 PRO 6 HD1 PRO 6 12.923 6.057 -3.299
37 H DAL 7 HN DAL 7 12.776 3.602 1.318
38 HA DAL 7 HA DAL 7 12.919 0.822 1.520
39 HB1 DAL 7 HB2 DAL 7 15.000 2.326 2.963
40 HB2 DAL 7 HB3 DAL 7 13.786 1.218 3.579
41 H LEU 8 HN LEU 8 14.826 2.972 -0.307
42 HA LEU 8 HA LEU 8 16.652 0.796 -1.005
43 HB2 LEU 8 HB2 LEU 8 16.632 3.613 -2.118
44 HB3 LEU 8 HB1 LEU 8 17.326 2.165 -2.849
45 HG LEU 8 HG LEU 8 14.377 2.642 -2.345
46 HD11 LEU 8 HD11 LEU 8 15.606 3.920 -4.236
47 HD12 LEU 8 HD12 LEU 8 14.148 3.024 -4.661
48 HD13 LEU 8 HD13 LEU 8 15.738 2.347 -5.019
49 HD21 LEU 8 HD21 LEU 8 13.968 0.500 -3.094
50 HD22 LEU 8 HD22 LEU 8 15.539 0.233 -2.346
51 HD23 LEU 8 HD23 LEU 8 15.424 0.456 -4.089
52 H MET 9 HN MET 9 16.438 3.743 0.748
53 HA MET 9 HA MET 9 19.226 4.281 1.056
54 HB2 MET 9 HB2 MET 9 16.963 5.144 2.868
55 HB3 MET 9 HB1 MET 9 18.513 5.948 2.622
56 HG2 MET 9 HG2 MET 9 17.861 6.199 0.176
57 HG3 MET 9 HG1 MET 9 16.247 5.678 0.654
58 HE1 MET 9 HE1 MET 9 15.172 6.386 2.585
59 HE2 MET 9 HE2 MET 9 14.659 8.070 2.665
60 HE3 MET 9 HE3 MET 9 15.913 7.484 3.755
61 H DBB 10 HN DBB 10 16.775 2.566 2.963
62 HA DBB 10 HA DBB 10 18.933 1.588 4.740
63 HB2 DBB 10 HB2 DBB 10 18.221 -0.284 3.503
64 HG1 DBB 10 HG1 DBB 10 16.187 1.006 2.696
65 HG2 DBB 10 HG2 DBB 10 15.339 0.244 4.034
66 HG3 DBB 10 HG3 DBB 10 16.082 -0.743 2.785
67 H GLY 11 HN GLY 11 15.364 1.760 4.658
68 HA2 GLY 11 HA2 GLY 11 14.827 1.658 7.326
69 HA3 GLY 11 HA1 GLY 11 15.293 3.328 7.051
70 H CYS 12 HN CYS 12 13.193 0.860 5.521
71 HA CYS 12 HA CYS 12 10.880 2.593 5.733
72 HB2 CYS 12 HB2 CYS 12 11.394 1.769 2.933
73 HB3 CYS 12 HB1 CYS 12 10.603 3.215 3.550
74 H GLY 13 HN GLY 13 9.418 1.436 3.675
75 HA2 GLY 13 HA2 GLY 13 9.265 -1.417 4.447
76 HA3 GLY 13 HA1 GLY 13 7.827 -0.405 4.326
77 H TRP 14 HN TRP 14 10.020 0.617 2.102
78 HA TRP 14 HA TRP 14 8.909 0.564 -0.208
79 HB2 TRP 14 HB2 TRP 14 11.017 -0.166 -1.307
80 HB3 TRP 14 HB1 TRP 14 11.283 0.959 0.015
81 HD1 TRP 14 HD1 TRP 14 10.507 -1.774 1.945
82 HE1 TRP 14 HE1 TRP 14 12.504 -3.271 2.573
83 HE3 TRP 14 HE3 TRP 14 13.894 -0.192 -1.514
84 HZ2 TRP 14 HZ2 TRP 14 15.190 -3.734 1.711
85 HZ3 TRP 14 HZ3 TRP 14 16.164 -1.179 -1.593
86 HH2 TRP 14 HH2 TRP 14 16.817 -2.941 0.013
87 H LEU 15 HN LEU 15 10.763 -2.262 -0.697
88 HA LEU 15 HA LEU 15 8.320 -3.760 -1.317
89 HB2 LEU 15 HB2 LEU 15 10.230 -5.237 -2.454
90 HB3 LEU 15 HB1 LEU 15 9.560 -3.817 -3.257
91 HG LEU 15 HG LEU 15 11.949 -3.605 -1.425
92 HD11 LEU 15 HD11 LEU 15 12.081 -5.227 -3.552
93 HD12 LEU 15 HD12 LEU 15 13.425 -4.184 -3.090
94 HD13 LEU 15 HD13 LEU 15 12.328 -3.690 -4.380
95 HD21 LEU 15 HD21 LEU 15 12.058 -1.446 -2.147
96 HD22 LEU 15 HD22 LEU 15 10.369 -1.689 -2.589
97 HD23 LEU 15 HD23 LEU 15 11.633 -1.877 -3.804
98 H DBU 16 HN DHB 16 11.236 -3.785 0.619
99 HB DBU 16 HB DHB 16 12.329 -6.926 2.742
100 HG1 DBU 16 HG1 DHB 16 13.663 -5.726 0.458
101 HG2 DBU 16 HG2 DHB 16 12.571 -6.967 -0.161
102 HG3 DBU 16 HG3 DHB 16 13.826 -7.397 1.001
103 H GLY 17 HN GLY 17 10.753 -3.341 3.168
104 HA2 GLY 17 HA2 GLY 17 8.558 -3.146 4.439
105 HA3 GLY 17 HA1 GLY 17 9.009 -4.702 5.132
106 H LEU 18 HN LEU 18 11.643 -4.443 5.708
107 HA LEU 18 HA LEU 18 11.595 -2.396 7.809
108 HB2 LEU 18 HB2 LEU 18 13.291 -4.856 7.386
109 HB3 LEU 18 HB1 LEU 18 13.616 -3.670 8.652
110 HG LEU 18 HG LEU 18 10.932 -5.027 8.307
111 HD11 LEU 18 HD11 LEU 18 13.253 -6.311 9.056
112 HD12 LEU 18 HD12 LEU 18 11.630 -6.801 9.540
113 HD13 LEU 18 HD13 LEU 18 12.600 -5.787 10.608
114 HD21 LEU 18 HD21 LEU 18 10.959 -2.868 9.523
115 HD22 LEU 18 HD22 LEU 18 12.197 -3.503 10.608
116 HD23 LEU 18 HD23 LEU 18 10.581 -4.208 10.606
117 H CYS 19 HN CYS 19 13.975 -3.696 5.468
118 HA CYS 19 HA CYS 19 14.788 -1.534 4.145
119 HB2 CYS 19 HB2 CYS 19 15.259 -0.035 5.814
120 HB3 CYS 19 HB1 CYS 19 15.575 -1.300 6.994
121 H VAL 20 HN VAL 20 16.128 -2.411 2.697
122 HA VAL 20 HA VAL 20 18.200 -4.290 3.628
123 HB VAL 20 HB VAL 20 16.553 -4.620 1.110
124 HG11 VAL 20 HG11 VAL 20 19.075 -5.663 1.962
125 HG12 VAL 20 HG12 VAL 20 18.165 -6.069 0.508
126 HG13 VAL 20 HG13 VAL 20 17.904 -6.980 1.996
127 HG21 VAL 20 HG21 VAL 20 15.012 -5.628 2.411
128 HG22 VAL 20 HG22 VAL 20 15.983 -5.308 3.847
129 HG23 VAL 20 HG23 VAL 20 16.240 -6.787 2.923
130 H ARG 21 HN ARG 21 19.336 -2.126 3.504
131 HA ARG 21 HA ARG 21 21.084 -1.011 2.480
132 HB2 ARG 21 HB2 ARG 21 21.007 -3.298 1.024
133 HB3 ARG 21 HB1 ARG 21 20.597 -2.114 -0.220
134 HG2 ARG 21 HG2 ARG 21 23.010 -2.339 -0.168
135 HG3 ARG 21 HG1 ARG 21 22.593 -0.764 0.510
136 HD2 ARG 21 HD2 ARG 21 22.773 -1.682 2.786
137 HD3 ARG 21 HD1 ARG 21 23.161 -3.267 2.123
138 HE ARG 21 HE ARG 21 25.097 -1.777 1.030
139 HH11 ARG 21 HH11 ARG 21 23.783 -1.862 4.230
140 HH12 ARG 21 HH12 ARG 21 25.263 -1.397 4.999
141 HH21 ARG 21 HH21 ARG 21 27.042 -1.166 2.033
142 HH22 ARG 21 HH22 ARG 21 27.109 -1.003 3.755
Start of MODEL 12
1 H1 ALA 1 HT1 ALA 1 9.226 0.238 -7.802
2 H2 ALA 1 HT2 ALA 1 10.472 0.740 -6.761
3 H3 ALA 1 HT3 ALA 1 10.778 0.531 -8.419
4 HA ALA 1 HA ALA 1 8.969 2.305 -8.751
5 HB1 ALA 1 HB1 ALA 1 9.809 3.598 -6.289
6 HB2 ALA 1 HB2 ALA 1 8.980 2.079 -5.950
7 HB3 ALA 1 HB3 ALA 1 8.178 3.329 -6.902
8 H GLY 2 HN GLY 2 11.978 2.309 -6.828
9 HA2 GLY 2 HA2 GLY 2 14.088 3.074 -7.426
10 HA3 GLY 2 HA1 GLY 2 13.438 3.561 -8.989
11 H GLY 3 HN GLY 3 11.610 4.644 -6.324
12 HA2 GLY 3 HA2 GLY 3 12.007 7.382 -6.915
13 HA3 GLY 3 HA1 GLY 3 11.206 6.749 -5.481
14 H DBU 4 HN DHB 4 13.451 5.213 -4.521
15 HB DBU 4 HB DHB 4 17.012 6.388 -3.117
16 HG1 DBU 4 HG1 DHB 4 17.532 4.630 -4.818
17 HG2 DBU 4 HG2 DHB 4 17.545 6.201 -5.619
18 HG3 DBU 4 HG3 DHB 4 16.146 5.141 -5.781
19 H ILE 5 HN ILE 5 14.098 5.231 -1.583
20 HA ILE 5 HA ILE 5 14.518 6.793 0.523
21 HB ILE 5 HB ILE 5 12.566 8.157 -1.239
22 HG12 ILE 5 HG12 ILE 5 15.041 8.747 -0.330
23 HG13 ILE 5 HG11 ILE 5 13.855 9.978 -0.740
24 HG21 ILE 5 HG21 ILE 5 12.289 7.929 1.767
25 HG22 ILE 5 HG22 ILE 5 11.055 7.624 0.542
26 HG23 ILE 5 HG23 ILE 5 11.603 9.272 0.851
27 HD11 ILE 5 HD11 ILE 5 15.096 10.068 1.582
28 HD12 ILE 5 HD12 ILE 5 13.903 8.852 2.044
29 HD13 ILE 5 HD13 ILE 5 13.374 10.444 1.498
30 HA PRO 6 HA PRO 6 10.196 4.719 1.047
31 HB2 PRO 6 HB2 PRO 6 9.976 2.948 -1.278
32 HB3 PRO 6 HB1 PRO 6 8.806 4.116 -0.639
33 HG2 PRO 6 HG2 PRO 6 10.159 4.484 -2.957
34 HG3 PRO 6 HG1 PRO 6 9.586 5.811 -1.934
35 HD2 PRO 6 HD2 PRO 6 12.358 4.730 -2.226
36 HD3 PRO 6 HD1 PRO 6 11.816 6.388 -1.943
37 H DAL 7 HN DAL 7 13.196 3.563 0.320
38 HA DAL 7 HA DAL 7 12.730 0.795 1.129
39 HB1 DAL 7 HB2 DAL 7 14.762 2.124 2.792
40 HB2 DAL 7 HB3 DAL 7 13.552 0.926 3.239
41 H LEU 8 HN LEU 8 14.717 3.261 -0.244
42 HA LEU 8 HA LEU 8 16.621 1.221 -1.164
43 HB2 LEU 8 HB2 LEU 8 16.591 4.131 -1.984
44 HB3 LEU 8 HB1 LEU 8 17.244 2.754 -2.866
45 HG LEU 8 HG LEU 8 14.381 3.627 -2.563
46 HD11 LEU 8 HD11 LEU 8 14.767 2.520 -5.053
47 HD12 LEU 8 HD12 LEU 8 16.367 3.171 -4.692
48 HD13 LEU 8 HD13 LEU 8 14.959 4.232 -4.677
49 HD21 LEU 8 HD21 LEU 8 15.416 0.817 -2.790
50 HD22 LEU 8 HD22 LEU 8 13.944 1.258 -3.656
51 HD23 LEU 8 HD23 LEU 8 14.019 1.424 -1.902
52 H MET 9 HN MET 9 16.165 3.929 0.881
53 HA MET 9 HA MET 9 18.869 4.651 1.379
54 HB2 MET 9 HB2 MET 9 16.458 5.005 3.175
55 HB3 MET 9 HB1 MET 9 17.940 5.956 3.195
56 HG2 MET 9 HG2 MET 9 17.448 6.627 0.813
57 HG3 MET 9 HG1 MET 9 15.882 5.834 0.989
58 HE1 MET 9 HE1 MET 9 17.455 9.454 3.323
59 HE2 MET 9 HE2 MET 9 18.067 8.926 1.757
60 HE3 MET 9 HE3 MET 9 18.256 7.884 3.166
61 H DBB 10 HN DBB 10 16.571 2.427 2.895
62 HA DBB 10 HA DBB 10 18.802 1.354 4.509
63 HB2 DBB 10 HB2 DBB 10 17.994 -0.231 2.851
64 HG1 DBB 10 HG1 DBB 10 15.773 0.623 2.517
65 HG2 DBB 10 HG2 DBB 10 15.306 0.143 4.144
66 HG3 DBB 10 HG3 DBB 10 15.691 -1.081 2.942
67 H GLY 11 HN GLY 11 15.270 1.805 4.480
68 HA2 GLY 11 HA2 GLY 11 14.820 1.202 7.173
69 HA3 GLY 11 HA1 GLY 11 15.218 2.907 7.052
70 H CYS 12 HN CYS 12 13.133 0.494 5.461
71 HA CYS 12 HA CYS 12 10.798 2.195 5.811
72 HB2 CYS 12 HB2 CYS 12 11.234 1.334 3.010
73 HB3 CYS 12 HB1 CYS 12 10.364 2.735 3.625
74 H GLY 13 HN GLY 13 9.413 0.942 3.642
75 HA2 GLY 13 HA2 GLY 13 9.315 -1.892 4.419
76 HA3 GLY 13 HA1 GLY 13 7.841 -0.926 4.436
77 H TRP 14 HN TRP 14 10.140 0.009 2.134
78 HA TRP 14 HA TRP 14 8.720 0.067 -0.095
79 HB2 TRP 14 HB2 TRP 14 10.790 -0.426 -1.374
80 HB3 TRP 14 HB1 TRP 14 11.041 0.709 -0.070
81 HD1 TRP 14 HD1 TRP 14 10.797 -2.090 1.936
82 HE1 TRP 14 HE1 TRP 14 13.024 -3.315 2.338
83 HE3 TRP 14 HE3 TRP 14 13.550 -0.188 -1.913
84 HZ2 TRP 14 HZ2 TRP 14 15.635 -3.470 1.178
85 HZ3 TRP 14 HZ3 TRP 14 15.908 -0.885 -2.241
86 HH2 TRP 14 HH2 TRP 14 16.951 -2.526 -0.703
87 H LEU 15 HN LEU 15 10.818 -2.564 -0.743
88 HA LEU 15 HA LEU 15 8.492 -4.328 -1.117
89 HB2 LEU 15 HB2 LEU 15 10.030 -5.339 -2.931
90 HB3 LEU 15 HB1 LEU 15 9.262 -3.786 -3.272
91 HG LEU 15 HG LEU 15 12.001 -3.953 -2.014
92 HD11 LEU 15 HD11 LEU 15 11.190 -4.129 -4.904
93 HD12 LEU 15 HD12 LEU 15 12.386 -5.084 -4.027
94 HD13 LEU 15 HD13 LEU 15 12.731 -3.406 -4.444
95 HD21 LEU 15 HD21 LEU 15 11.456 -1.735 -3.802
96 HD22 LEU 15 HD22 LEU 15 11.896 -1.705 -2.095
97 HD23 LEU 15 HD23 LEU 15 10.203 -1.854 -2.567
98 H DBU 16 HN DHB 16 10.755 -3.925 1.048
99 HB DBU 16 HB DHB 16 13.058 -7.151 2.111
100 HG1 DBU 16 HG1 DHB 16 14.334 -6.237 0.092
101 HG2 DBU 16 HG2 DHB 16 12.787 -5.924 -0.696
102 HG3 DBU 16 HG3 DHB 16 13.297 -7.584 -0.383
103 H GLY 17 HN GLY 17 11.095 -3.774 3.135
104 HA2 GLY 17 HA2 GLY 17 9.616 -3.578 4.980
105 HA3 GLY 17 HA1 GLY 17 9.620 -5.328 5.150
106 H LEU 18 HN LEU 18 10.802 -2.479 6.411
107 HA LEU 18 HA LEU 18 12.345 -1.979 8.041
108 HB2 LEU 18 HB2 LEU 18 12.172 -4.975 8.420
109 HB3 LEU 18 HB1 LEU 18 13.075 -3.906 9.494
110 HG LEU 18 HG LEU 18 10.145 -3.503 8.850
111 HD11 LEU 18 HD11 LEU 18 11.411 -4.895 11.231
112 HD12 LEU 18 HD12 LEU 18 10.461 -5.678 9.967
113 HD13 LEU 18 HD13 LEU 18 9.696 -4.521 11.056
114 HD21 LEU 18 HD21 LEU 18 10.632 -2.405 11.298
115 HD22 LEU 18 HD22 LEU 18 10.741 -1.502 9.789
116 HD23 LEU 18 HD23 LEU 18 12.198 -2.169 10.525
117 H CYS 19 HN CYS 19 13.492 -1.700 5.751
118 HA CYS 19 HA CYS 19 15.318 -2.301 4.347
119 HB2 CYS 19 HB2 CYS 19 15.836 -0.345 5.800
120 HB3 CYS 19 HB1 CYS 19 16.566 -1.446 6.964
121 H VAL 20 HN VAL 20 15.391 -4.539 3.997
122 HA VAL 20 HA VAL 20 17.035 -6.069 5.920
123 HB VAL 20 HB VAL 20 16.006 -8.086 4.917
124 HG11 VAL 20 HG11 VAL 20 14.899 -7.392 6.869
125 HG12 VAL 20 HG12 VAL 20 13.590 -7.468 5.689
126 HG13 VAL 20 HG13 VAL 20 14.303 -5.912 6.115
127 HG21 VAL 20 HG21 VAL 20 14.746 -7.995 3.035
128 HG22 VAL 20 HG22 VAL 20 15.380 -6.362 2.832
129 HG23 VAL 20 HG23 VAL 20 13.827 -6.612 3.628
130 H ARG 21 HN ARG 21 17.168 -4.514 2.985
131 HA ARG 21 HA ARG 21 18.866 -6.426 1.609
132 HB2 ARG 21 HB2 ARG 21 17.329 -4.937 0.354
133 HB3 ARG 21 HB1 ARG 21 18.244 -3.542 0.924
134 HG2 ARG 21 HG2 ARG 21 20.283 -4.448 -0.146
135 HG3 ARG 21 HG1 ARG 21 19.353 -5.825 -0.736
136 HD2 ARG 21 HD2 ARG 21 17.844 -4.208 -1.930
137 HD3 ARG 21 HD1 ARG 21 18.938 -2.911 -1.456
138 HE ARG 21 HE ARG 21 20.430 -4.938 -2.735
139 HH11 ARG 21 HH11 ARG 21 18.018 -2.534 -3.370
140 HH12 ARG 21 HH12 ARG 21 18.488 -2.305 -5.021
141 HH21 ARG 21 HH21 ARG 21 21.041 -4.646 -4.897
142 HH22 ARG 21 HH22 ARG 21 20.199 -3.500 -5.885
Start of MODEL 13
1 H1 ALA 1 HT1 ALA 1 9.305 -0.254 -9.514
2 H2 ALA 1 HT2 ALA 1 10.963 -0.357 -9.870
3 H3 ALA 1 HT3 ALA 1 10.052 0.964 -10.427
4 HA ALA 1 HA ALA 1 10.226 2.073 -8.517
5 HB1 ALA 1 HB1 ALA 1 10.170 -0.474 -6.900
6 HB2 ALA 1 HB2 ALA 1 8.690 0.220 -7.562
7 HB3 ALA 1 HB3 ALA 1 9.662 1.144 -6.417
8 H GLY 2 HN GLY 2 11.701 1.520 -6.215
9 HA2 GLY 2 HA2 GLY 2 13.845 1.148 -5.407
10 HA3 GLY 2 HA1 GLY 2 14.219 0.284 -6.896
11 H GLY 3 HN GLY 3 12.822 3.397 -7.252
12 HA2 GLY 3 HA2 GLY 3 15.021 4.423 -8.714
13 HA3 GLY 3 HA1 GLY 3 13.638 5.356 -8.147
14 H DBU 4 HN DHB 4 14.014 4.739 -5.343
15 HB DBU 4 HB DHB 4 17.280 6.296 -3.305
16 HG1 DBU 4 HG1 DHB 4 17.600 4.610 -5.850
17 HG2 DBU 4 HG2 DHB 4 18.677 4.589 -4.452
18 HG3 DBU 4 HG3 DHB 4 18.618 6.009 -5.497
19 H ILE 5 HN ILE 5 15.372 5.362 -1.959
20 HA ILE 5 HA ILE 5 14.497 6.895 -0.321
21 HB ILE 5 HB ILE 5 12.504 7.598 -2.470
22 HG12 ILE 5 HG12 ILE 5 14.933 8.481 -2.613
23 HG13 ILE 5 HG11 ILE 5 13.640 9.678 -2.658
24 HG21 ILE 5 HG21 ILE 5 11.852 9.368 -0.776
25 HG22 ILE 5 HG22 ILE 5 12.827 8.488 0.403
26 HG23 ILE 5 HG23 ILE 5 11.422 7.716 -0.331
27 HD11 ILE 5 HD11 ILE 5 14.594 8.962 0.048
28 HD12 ILE 5 HD12 ILE 5 14.199 10.544 -0.624
29 HD13 ILE 5 HD13 ILE 5 15.768 9.810 -0.958
30 HA PRO 6 HA PRO 6 10.329 4.391 -0.728
31 HB2 PRO 6 HB2 PRO 6 11.419 2.162 -2.360
32 HB3 PRO 6 HB1 PRO 6 9.821 2.930 -2.425
33 HG2 PRO 6 HG2 PRO 6 11.655 3.388 -4.316
34 HG3 PRO 6 HG1 PRO 6 10.532 4.644 -3.772
35 HD2 PRO 6 HD2 PRO 6 13.436 4.337 -3.154
36 HD3 PRO 6 HD1 PRO 6 12.468 5.815 -3.349
37 H DAL 7 HN DAL 7 13.433 2.744 -1.059
38 HA DAL 7 HA DAL 7 13.180 0.621 0.597
39 HB1 DAL 7 HB2 DAL 7 13.075 3.139 2.071
40 HB2 DAL 7 HB3 DAL 7 14.211 1.960 2.718
41 H LEU 8 HN LEU 8 15.016 2.683 -1.157
42 HA LEU 8 HA LEU 8 17.337 1.063 -0.981
43 HB2 LEU 8 HB2 LEU 8 17.248 3.882 -2.060
44 HB3 LEU 8 HB1 LEU 8 18.306 2.560 -2.555
45 HG LEU 8 HG LEU 8 15.359 2.902 -3.076
46 HD11 LEU 8 HD11 LEU 8 16.623 1.896 -5.318
47 HD12 LEU 8 HD12 LEU 8 17.858 2.932 -4.610
48 HD13 LEU 8 HD13 LEU 8 16.278 3.599 -5.024
49 HD21 LEU 8 HD21 LEU 8 15.726 0.500 -4.131
50 HD22 LEU 8 HD22 LEU 8 15.300 0.665 -2.427
51 HD23 LEU 8 HD23 LEU 8 16.977 0.379 -2.892
52 H MET 9 HN MET 9 16.274 3.959 0.605
53 HA MET 9 HA MET 9 18.722 4.914 1.596
54 HB2 MET 9 HB2 MET 9 16.033 5.051 2.976
55 HB3 MET 9 HB1 MET 9 17.389 6.166 3.163
56 HG2 MET 9 HG2 MET 9 17.183 6.710 0.708
57 HG3 MET 9 HG1 MET 9 15.720 5.730 0.670
58 HE1 MET 9 HE1 MET 9 17.601 8.052 2.775
59 HE2 MET 9 HE2 MET 9 16.471 9.209 3.474
60 HE3 MET 9 HE3 MET 9 17.066 9.452 1.834
61 H DBB 10 HN DBB 10 16.435 2.509 2.853
62 HA DBB 10 HA DBB 10 18.561 1.580 4.664
63 HB2 DBB 10 HB2 DBB 10 17.477 0.098 2.870
64 HG1 DBB 10 HG1 DBB 10 15.262 0.266 4.883
65 HG2 DBB 10 HG2 DBB 10 15.425 -1.082 3.764
66 HG3 DBB 10 HG3 DBB 10 15.200 0.547 3.147
67 H GLY 11 HN GLY 11 15.092 2.352 4.599
68 HA2 GLY 11 HA2 GLY 11 14.647 1.738 7.336
69 HA3 GLY 11 HA1 GLY 11 15.060 3.433 7.145
70 H CYS 12 HN CYS 12 13.030 1.089 5.391
71 HA CYS 12 HA CYS 12 10.705 2.874 5.719
72 HB2 CYS 12 HB2 CYS 12 10.212 2.681 3.325
73 HB3 CYS 12 HB1 CYS 12 11.810 3.385 3.550
74 H GLY 13 HN GLY 13 9.103 1.502 3.911
75 HA2 GLY 13 HA2 GLY 13 8.933 -1.235 5.006
76 HA3 GLY 13 HA1 GLY 13 7.507 -0.218 4.786
77 H TRP 14 HN TRP 14 9.905 0.313 2.504
78 HA TRP 14 HA TRP 14 8.495 -0.109 0.231
79 HB2 TRP 14 HB2 TRP 14 10.559 -0.129 -0.938
80 HB3 TRP 14 HB1 TRP 14 10.887 0.777 0.529
81 HD1 TRP 14 HD1 TRP 14 10.886 -1.951 2.335
82 HE1 TRP 14 HE1 TRP 14 13.039 -3.373 2.341
83 HE3 TRP 14 HE3 TRP 14 13.039 -0.258 -1.952
84 HZ2 TRP 14 HZ2 TRP 14 15.378 -3.732 0.722
85 HZ3 TRP 14 HZ3 TRP 14 15.224 -1.146 -2.704
86 HH2 TRP 14 HH2 TRP 14 16.397 -2.876 -1.375
87 H LEU 15 HN LEU 15 9.095 -1.882 -1.468
88 HA LEU 15 HA LEU 15 7.786 -4.158 -1.168
89 HB2 LEU 15 HB2 LEU 15 9.489 -5.305 -2.617
90 HB3 LEU 15 HB1 LEU 15 8.986 -3.721 -3.214
91 HG LEU 15 HG LEU 15 11.403 -4.051 -1.435
92 HD11 LEU 15 HD11 LEU 15 12.759 -3.988 -3.516
93 HD12 LEU 15 HD12 LEU 15 11.277 -4.132 -4.463
94 HD13 LEU 15 HD13 LEU 15 11.779 -5.449 -3.403
95 HD21 LEU 15 HD21 LEU 15 11.928 -1.920 -2.935
96 HD22 LEU 15 HD22 LEU 15 10.888 -1.797 -1.521
97 HD23 LEU 15 HD23 LEU 15 10.174 -1.902 -3.124
98 H DBU 16 HN DHB 16 10.928 -3.536 0.323
99 HB DBU 16 HB DHB 16 12.744 -6.366 2.412
100 HG1 DBU 16 HG1 DHB 16 14.210 -5.478 0.477
101 HG2 DBU 16 HG2 DHB 16 12.770 -5.523 -0.543
102 HG3 DBU 16 HG3 DHB 16 13.449 -7.023 0.094
103 H GLY 17 HN GLY 17 11.116 -3.250 3.282
104 HA2 GLY 17 HA2 GLY 17 9.031 -3.054 4.726
105 HA3 GLY 17 HA1 GLY 17 9.347 -4.740 5.131
106 H LEU 18 HN LEU 18 11.918 -4.948 5.580
107 HA LEU 18 HA LEU 18 12.646 -2.846 7.524
108 HB2 LEU 18 HB2 LEU 18 12.773 -5.849 7.910
109 HB3 LEU 18 HB1 LEU 18 13.544 -4.679 8.983
110 HG LEU 18 HG LEU 18 10.590 -4.612 8.325
111 HD11 LEU 18 HD11 LEU 18 10.169 -6.173 9.902
112 HD12 LEU 18 HD12 LEU 18 11.320 -5.450 11.026
113 HD13 LEU 18 HD13 LEU 18 11.880 -6.590 9.802
114 HD21 LEU 18 HD21 LEU 18 11.254 -2.502 9.143
115 HD22 LEU 18 HD22 LEU 18 12.423 -3.204 10.263
116 HD23 LEU 18 HD23 LEU 18 10.696 -3.338 10.593
117 H CYS 19 HN CYS 19 14.335 -1.908 6.495
118 HA CYS 19 HA CYS 19 15.978 -2.651 4.565
119 HB2 CYS 19 HB2 CYS 19 16.186 -0.625 6.199
120 HB3 CYS 19 HB1 CYS 19 17.350 -1.650 7.036
121 H VAL 20 HN VAL 20 16.218 -4.849 4.335
122 HA VAL 20 HA VAL 20 17.903 -6.224 6.329
123 HB VAL 20 HB VAL 20 17.084 -8.290 4.996
124 HG11 VAL 20 HG11 VAL 20 14.653 -7.635 6.183
125 HG12 VAL 20 HG12 VAL 20 15.821 -6.647 7.060
126 HG13 VAL 20 HG13 VAL 20 16.022 -8.397 6.993
127 HG21 VAL 20 HG21 VAL 20 14.939 -6.283 4.221
128 HG22 VAL 20 HG22 VAL 20 15.001 -7.991 3.787
129 HG23 VAL 20 HG23 VAL 20 16.181 -6.868 3.113
130 H ARG 21 HN ARG 21 18.122 -4.617 3.457
131 HA ARG 21 HA ARG 21 19.967 -6.388 2.097
132 HB2 ARG 21 HB2 ARG 21 18.478 -4.872 0.831
133 HB3 ARG 21 HB1 ARG 21 19.297 -3.483 1.551
134 HG2 ARG 21 HG2 ARG 21 21.441 -4.262 0.580
135 HG3 ARG 21 HG1 ARG 21 20.594 -5.613 -0.175
136 HD2 ARG 21 HD2 ARG 21 19.889 -2.708 -0.655
137 HD3 ARG 21 HD1 ARG 21 20.956 -3.640 -1.702
138 HE ARG 21 HE ARG 21 18.548 -5.069 -1.385
139 HH11 ARG 21 HH11 ARG 21 19.790 -2.146 -2.755
140 HH12 ARG 21 HH12 ARG 21 18.611 -2.073 -4.021
141 HH21 ARG 21 HH21 ARG 21 16.998 -4.984 -3.044
142 HH22 ARG 21 HH22 ARG 21 17.029 -3.681 -4.185
Start of MODEL 14
1 H1 ALA 1 HT1 ALA 1 19.597 1.344 -6.137
2 H2 ALA 1 HT2 ALA 1 19.321 -0.331 -6.054
3 H3 ALA 1 HT3 ALA 1 18.025 0.756 -5.896
4 HA ALA 1 HA ALA 1 19.667 0.369 -8.340
5 HB1 ALA 1 HB1 ALA 1 18.194 -1.539 -7.899
6 HB2 ALA 1 HB2 ALA 1 17.568 -0.599 -9.255
7 HB3 ALA 1 HB3 ALA 1 16.826 -0.452 -7.660
8 H GLY 2 HN GLY 2 16.409 1.007 -8.804
9 HA2 GLY 2 HA2 GLY 2 16.988 3.718 -9.697
10 HA3 GLY 2 HA1 GLY 2 15.504 2.816 -9.983
11 H GLY 3 HN GLY 3 15.073 5.321 -9.301
12 HA2 GLY 3 HA2 GLY 3 13.876 6.620 -7.824
13 HA3 GLY 3 HA1 GLY 3 13.610 5.161 -6.871
14 H DBU 4 HN DHB 4 14.871 4.760 -5.081
15 HB DBU 4 HB DHB 4 18.175 6.002 -3.120
16 HG1 DBU 4 HG1 DHB 4 18.899 3.936 -4.430
17 HG2 DBU 4 HG2 DHB 4 19.402 5.424 -5.229
18 HG3 DBU 4 HG3 DHB 4 17.992 4.543 -5.814
19 H ILE 5 HN ILE 5 15.054 5.087 -2.126
20 HA ILE 5 HA ILE 5 14.991 6.930 -0.256
21 HB ILE 5 HB ILE 5 13.587 8.058 -2.601
22 HG12 ILE 5 HG12 ILE 5 15.794 8.804 -1.362
23 HG13 ILE 5 HG11 ILE 5 14.659 10.025 -1.931
24 HG21 ILE 5 HG21 ILE 5 11.670 7.785 -1.179
25 HG22 ILE 5 HG22 ILE 5 12.183 9.462 -0.999
26 HG23 ILE 5 HG23 ILE 5 12.583 8.277 0.248
27 HD11 ILE 5 HD11 ILE 5 14.070 9.009 0.773
28 HD12 ILE 5 HD12 ILE 5 14.120 10.669 0.183
29 HD13 ILE 5 HD13 ILE 5 15.614 9.851 0.644
30 HA PRO 6 HA PRO 6 10.489 5.035 -0.546
31 HB2 PRO 6 HB2 PRO 6 11.138 2.822 -2.413
32 HB3 PRO 6 HB1 PRO 6 9.683 3.835 -2.328
33 HG2 PRO 6 HG2 PRO 6 11.482 4.149 -4.279
34 HG3 PRO 6 HG1 PRO 6 10.597 5.516 -3.585
35 HD2 PRO 6 HD2 PRO 6 13.441 4.718 -3.147
36 HD3 PRO 6 HD1 PRO 6 12.709 6.332 -3.189
37 H DAL 7 HN DAL 7 13.470 3.247 -0.997
38 HA DAL 7 HA DAL 7 12.954 0.920 0.332
39 HB1 DAL 7 HB2 DAL 7 13.075 3.225 2.110
40 HB2 DAL 7 HB3 DAL 7 14.081 1.870 2.605
41 H LEU 8 HN LEU 8 14.965 2.764 -1.314
42 HA LEU 8 HA LEU 8 17.133 0.954 -1.145
43 HB2 LEU 8 HB2 LEU 8 17.319 3.782 -2.187
44 HB3 LEU 8 HB1 LEU 8 18.218 2.361 -2.719
45 HG LEU 8 HG LEU 8 15.336 3.067 -3.214
46 HD11 LEU 8 HD11 LEU 8 17.790 2.500 -4.811
47 HD12 LEU 8 HD12 LEU 8 16.522 3.694 -5.083
48 HD13 LEU 8 HD13 LEU 8 16.246 2.004 -5.499
49 HD21 LEU 8 HD21 LEU 8 16.561 0.349 -2.947
50 HD22 LEU 8 HD22 LEU 8 15.404 0.606 -4.255
51 HD23 LEU 8 HD23 LEU 8 14.918 0.878 -2.583
52 H MET 9 HN MET 9 16.246 3.785 0.577
53 HA MET 9 HA MET 9 18.752 4.609 1.578
54 HB2 MET 9 HB2 MET 9 16.052 4.827 2.929
55 HB3 MET 9 HB1 MET 9 17.456 5.860 3.193
56 HG2 MET 9 HG2 MET 9 17.358 6.538 0.792
57 HG3 MET 9 HG1 MET 9 15.883 5.593 0.629
58 HE1 MET 9 HE1 MET 9 17.817 8.123 2.319
59 HE2 MET 9 HE2 MET 9 16.895 8.179 3.819
60 HE3 MET 9 HE3 MET 9 16.744 9.491 2.651
61 H DBB 10 HN DBB 10 16.365 2.254 2.738
62 HA DBB 10 HA DBB 10 18.433 1.163 4.527
63 HB2 DBB 10 HB2 DBB 10 17.258 -0.239 2.757
64 HG1 DBB 10 HG1 DBB 10 15.029 0.414 2.942
65 HG2 DBB 10 HG2 DBB 10 15.009 0.181 4.686
66 HG3 DBB 10 HG3 DBB 10 15.072 -1.211 3.611
67 H GLY 11 HN GLY 11 15.087 2.296 4.488
68 HA2 GLY 11 HA2 GLY 11 14.637 1.670 7.248
69 HA3 GLY 11 HA1 GLY 11 15.082 3.346 6.999
70 H CYS 12 HN CYS 12 13.000 1.044 5.247
71 HA CYS 12 HA CYS 12 10.677 2.791 5.696
72 HB2 CYS 12 HB2 CYS 12 10.142 2.862 3.338
73 HB3 CYS 12 HB1 CYS 12 11.792 3.447 3.537
74 H GLY 13 HN GLY 13 9.147 1.482 3.689
75 HA2 GLY 13 HA2 GLY 13 8.986 -1.288 4.697
76 HA3 GLY 13 HA1 GLY 13 7.549 -0.293 4.474
77 H TRP 14 HN TRP 14 9.474 0.751 2.149
78 HA TRP 14 HA TRP 14 8.352 0.369 -0.101
79 HB2 TRP 14 HB2 TRP 14 10.463 -0.116 -1.271
80 HB3 TRP 14 HB1 TRP 14 10.690 1.074 -0.001
81 HD1 TRP 14 HD1 TRP 14 10.591 -1.258 2.312
82 HE1 TRP 14 HE1 TRP 14 12.743 -2.621 2.716
83 HE3 TRP 14 HE3 TRP 14 12.985 -0.411 -2.102
84 HZ2 TRP 14 HZ2 TRP 14 15.165 -3.265 1.331
85 HZ3 TRP 14 HZ3 TRP 14 15.208 -1.408 -2.543
86 HH2 TRP 14 HH2 TRP 14 16.303 -2.830 -0.833
87 H LEU 15 HN LEU 15 10.519 -2.166 -0.588
88 HA LEU 15 HA LEU 15 8.304 -4.047 -0.953
89 HB2 LEU 15 HB2 LEU 15 10.412 -5.204 -2.192
90 HB3 LEU 15 HB1 LEU 15 9.350 -4.040 -2.986
91 HG LEU 15 HG LEU 15 11.752 -3.118 -1.415
92 HD11 LEU 15 HD11 LEU 15 11.882 -4.778 -3.682
93 HD12 LEU 15 HD12 LEU 15 13.193 -3.835 -2.973
94 HD13 LEU 15 HD13 LEU 15 12.211 -3.146 -4.265
95 HD21 LEU 15 HD21 LEU 15 11.425 -1.081 -2.499
96 HD22 LEU 15 HD22 LEU 15 9.761 -1.650 -2.386
97 HD23 LEU 15 HD23 LEU 15 10.652 -1.831 -3.895
98 H DBU 16 HN DHB 16 11.360 -3.546 0.703
99 HB DBU 16 HB DHB 16 13.123 -6.386 2.794
100 HG1 DBU 16 HG1 DHB 16 13.495 -5.241 -0.017
101 HG2 DBU 16 HG2 DHB 16 13.587 -6.982 0.250
102 HG3 DBU 16 HG3 DHB 16 14.749 -5.909 1.030
103 H GLY 17 HN GLY 17 11.338 -3.202 3.490
104 HA2 GLY 17 HA2 GLY 17 9.215 -3.074 4.857
105 HA3 GLY 17 HA1 GLY 17 9.601 -4.719 5.344
106 H LEU 18 HN LEU 18 12.083 -4.834 6.065
107 HA LEU 18 HA LEU 18 12.419 -2.696 8.083
108 HB2 LEU 18 HB2 LEU 18 13.249 -5.605 8.187
109 HB3 LEU 18 HB1 LEU 18 13.616 -4.405 9.427
110 HG LEU 18 HG LEU 18 10.820 -5.136 8.511
111 HD11 LEU 18 HD11 LEU 18 12.244 -6.858 9.863
112 HD12 LEU 18 HD12 LEU 18 10.611 -6.484 10.420
113 HD13 LEU 18 HD13 LEU 18 12.004 -5.746 11.210
114 HD21 LEU 18 HD21 LEU 18 10.506 -3.922 10.888
115 HD22 LEU 18 HD22 LEU 18 10.535 -3.018 9.373
116 HD23 LEU 18 HD23 LEU 18 11.986 -3.116 10.371
117 H CYS 19 HN CYS 19 13.631 -3.698 5.208
118 HA CYS 19 HA CYS 19 15.519 -2.948 4.087
119 HB2 CYS 19 HB2 CYS 19 15.626 -1.114 5.845
120 HB3 CYS 19 HB1 CYS 19 16.684 -2.175 6.765
121 H VAL 20 HN VAL 20 15.620 -5.300 3.817
122 HA VAL 20 HA VAL 20 17.773 -6.556 5.404
123 HB VAL 20 HB VAL 20 16.823 -8.698 4.427
124 HG11 VAL 20 HG11 VAL 20 15.977 -8.696 6.520
125 HG12 VAL 20 HG12 VAL 20 14.511 -7.985 5.843
126 HG13 VAL 20 HG13 VAL 20 15.774 -6.943 6.499
127 HG21 VAL 20 HG21 VAL 20 15.622 -7.747 2.532
128 HG22 VAL 20 HG22 VAL 20 14.651 -6.742 3.608
129 HG23 VAL 20 HG23 VAL 20 14.454 -8.495 3.622
130 H ARG 21 HN ARG 21 17.043 -5.209 2.391
131 HA ARG 21 HA ARG 21 17.913 -5.716 0.225
132 HB2 ARG 21 HB2 ARG 21 20.171 -4.680 0.205
133 HB3 ARG 21 HB1 ARG 21 18.996 -3.727 1.111
134 HG2 ARG 21 HG2 ARG 21 19.811 -4.760 3.217
135 HG3 ARG 21 HG1 ARG 21 21.024 -5.648 2.293
136 HD2 ARG 21 HD2 ARG 21 20.782 -2.629 2.328
137 HD3 ARG 21 HD1 ARG 21 21.908 -3.543 3.327
138 HE ARG 21 HE ARG 21 22.115 -3.073 0.462
139 HH11 ARG 21 HH11 ARG 21 23.077 -4.922 3.223
140 HH12 ARG 21 HH12 ARG 21 24.562 -5.463 2.517
141 HH21 ARG 21 HH21 ARG 21 24.063 -3.777 -0.472
142 HH22 ARG 21 HH22 ARG 21 25.121 -4.815 0.425
Start of MODEL 15
1 H1 ALA 1 HT1 ALA 1 13.711 9.672 -11.147
2 H2 ALA 1 HT2 ALA 1 13.135 11.181 -10.617
3 H3 ALA 1 HT3 ALA 1 12.046 9.996 -11.161
4 HA ALA 1 HA ALA 1 13.809 9.468 -8.860
5 HB1 ALA 1 HB1 ALA 1 12.672 10.885 -7.529
6 HB2 ALA 1 HB2 ALA 1 11.133 10.216 -8.075
7 HB3 ALA 1 HB3 ALA 1 11.887 11.539 -8.967
8 H GLY 2 HN GLY 2 11.445 8.587 -7.408
9 HA2 GLY 2 HA2 GLY 2 9.903 6.841 -7.317
10 HA3 GLY 2 HA1 GLY 2 10.176 6.543 -9.031
11 H GLY 3 HN GLY 3 13.092 6.827 -7.398
12 HA2 GLY 3 HA2 GLY 3 13.307 4.118 -6.427
13 HA3 GLY 3 HA1 GLY 3 14.144 4.379 -7.955
14 H DBU 4 HN DHB 4 14.253 4.798 -4.553
15 HB DBU 4 HB DHB 4 18.038 6.068 -3.536
16 HG1 DBU 4 HG1 DHB 4 17.346 4.309 -5.966
17 HG2 DBU 4 HG2 DHB 4 18.647 3.959 -4.826
18 HG3 DBU 4 HG3 DHB 4 18.758 5.365 -5.888
19 H ILE 5 HN ILE 5 14.899 5.052 -2.042
20 HA ILE 5 HA ILE 5 15.187 6.953 -0.210
21 HB ILE 5 HB ILE 5 13.595 8.060 -2.430
22 HG12 ILE 5 HG12 ILE 5 15.857 8.819 -1.369
23 HG13 ILE 5 HG11 ILE 5 14.666 10.048 -1.786
24 HG21 ILE 5 HG21 ILE 5 11.727 7.870 -0.982
25 HG22 ILE 5 HG22 ILE 5 12.326 9.505 -0.705
26 HG23 ILE 5 HG23 ILE 5 12.695 8.223 0.448
27 HD11 ILE 5 HD11 ILE 5 14.333 8.931 0.919
28 HD12 ILE 5 HD12 ILE 5 14.325 10.612 0.391
29 HD13 ILE 5 HD13 ILE 5 15.855 9.787 0.684
30 HA PRO 6 HA PRO 6 10.667 5.151 0.214
31 HB2 PRO 6 HB2 PRO 6 10.782 3.072 -1.892
32 HB3 PRO 6 HB1 PRO 6 9.466 4.189 -1.484
33 HG2 PRO 6 HG2 PRO 6 10.915 4.498 -3.705
34 HG3 PRO 6 HG1 PRO 6 10.298 5.882 -2.784
35 HD2 PRO 6 HD2 PRO 6 13.086 4.782 -2.876
36 HD3 PRO 6 HD1 PRO 6 12.538 6.465 -2.762
37 H DAL 7 HN DAL 7 13.495 3.382 -0.788
38 HA DAL 7 HA DAL 7 13.013 0.927 0.347
39 HB1 DAL 7 HB2 DAL 7 13.573 3.008 2.294
40 HB2 DAL 7 HB3 DAL 7 14.637 1.608 2.426
41 H LEU 8 HN LEU 8 15.134 3.171 -1.034
42 HA LEU 8 HA LEU 8 17.072 1.001 -1.339
43 HB2 LEU 8 HB2 LEU 8 17.258 3.716 -2.642
44 HB3 LEU 8 HB1 LEU 8 17.948 2.186 -3.181
45 HG LEU 8 HG LEU 8 15.094 3.126 -3.327
46 HD11 LEU 8 HD11 LEU 8 15.779 3.333 -5.464
47 HD12 LEU 8 HD12 LEU 8 15.788 1.571 -5.534
48 HD13 LEU 8 HD13 LEU 8 17.268 2.445 -5.143
49 HD21 LEU 8 HD21 LEU 8 16.079 0.345 -2.879
50 HD22 LEU 8 HD22 LEU 8 14.821 0.563 -4.095
51 HD23 LEU 8 HD23 LEU 8 14.537 1.076 -2.432
52 H MET 9 HN MET 9 16.488 3.460 0.740
53 HA MET 9 HA MET 9 19.331 4.020 1.288
54 HB2 MET 9 HB2 MET 9 18.054 5.619 3.012
55 HB3 MET 9 HB1 MET 9 18.354 6.099 1.349
56 HG2 MET 9 HG2 MET 9 16.115 5.248 0.713
57 HG3 MET 9 HG1 MET 9 15.813 4.831 2.400
58 HE1 MET 9 HE1 MET 9 16.822 7.844 4.132
59 HE2 MET 9 HE2 MET 9 16.259 6.174 4.176
60 HE3 MET 9 HE3 MET 9 15.100 7.491 4.335
61 H DBB 10 HN DBB 10 16.331 2.779 2.610
62 HA DBB 10 HA DBB 10 17.842 1.691 4.892
63 HB2 DBB 10 HB2 DBB 10 16.938 -0.388 4.537
64 HG1 DBB 10 HG1 DBB 10 16.078 -0.637 2.110
65 HG2 DBB 10 HG2 DBB 10 17.757 -0.182 2.388
66 HG3 DBB 10 HG3 DBB 10 16.573 1.044 1.948
67 H GLY 11 HN GLY 11 15.717 0.768 6.421
68 HA2 GLY 11 HA2 GLY 11 14.351 1.545 8.106
69 HA3 GLY 11 HA1 GLY 11 14.897 3.164 7.698
70 H CYS 12 HN CYS 12 13.195 0.922 5.561
71 HA CYS 12 HA CYS 12 10.795 2.621 5.671
72 HB2 CYS 12 HB2 CYS 12 10.671 2.660 3.265
73 HB3 CYS 12 HB1 CYS 12 12.286 3.206 3.717
74 H GLY 13 HN GLY 13 9.313 1.419 3.802
75 HA2 GLY 13 HA2 GLY 13 9.194 -1.433 4.567
76 HA3 GLY 13 HA1 GLY 13 7.748 -0.436 4.433
77 H TRP 14 HN TRP 14 9.920 0.634 2.234
78 HA TRP 14 HA TRP 14 8.821 0.569 -0.073
79 HB2 TRP 14 HB2 TRP 14 10.921 -0.106 -1.206
80 HB3 TRP 14 HB1 TRP 14 11.193 1.024 0.114
81 HD1 TRP 14 HD1 TRP 14 10.634 -1.636 2.176
82 HE1 TRP 14 HE1 TRP 14 12.703 -3.105 2.669
83 HE3 TRP 14 HE3 TRP 14 13.656 -0.208 -1.650
84 HZ2 TRP 14 HZ2 TRP 14 15.309 -3.594 1.548
85 HZ3 TRP 14 HZ3 TRP 14 15.903 -1.187 -1.947
86 HH2 TRP 14 HH2 TRP 14 16.741 -2.874 -0.344
87 H LEU 15 HN LEU 15 10.737 -2.153 -0.670
88 HA LEU 15 HA LEU 15 8.342 -3.728 -1.277
89 HB2 LEU 15 HB2 LEU 15 10.297 -5.096 -2.478
90 HB3 LEU 15 HB1 LEU 15 9.562 -3.679 -3.231
91 HG LEU 15 HG LEU 15 11.949 -3.406 -1.407
92 HD11 LEU 15 HD11 LEU 15 13.423 -4.035 -3.020
93 HD12 LEU 15 HD12 LEU 15 12.429 -3.380 -4.322
94 HD13 LEU 15 HD13 LEU 15 12.059 -4.965 -3.643
95 HD21 LEU 15 HD21 LEU 15 12.017 -1.238 -2.159
96 HD22 LEU 15 HD22 LEU 15 10.309 -1.525 -2.498
97 HD23 LEU 15 HD23 LEU 15 11.503 -1.678 -3.787
98 H DBU 16 HN DHB 16 11.234 -3.633 0.665
99 HB DBU 16 HB DHB 16 12.529 -6.742 2.716
100 HG1 DBU 16 HG1 DHB 16 14.315 -6.047 1.048
101 HG2 DBU 16 HG2 DHB 16 13.048 -5.722 -0.136
102 HG3 DBU 16 HG3 DHB 16 13.353 -7.375 0.399
103 H GLY 17 HN GLY 17 10.699 -3.271 3.206
104 HA2 GLY 17 HA2 GLY 17 8.514 -3.136 4.433
105 HA3 GLY 17 HA1 GLY 17 8.857 -4.773 4.982
106 H LEU 18 HN LEU 18 11.198 -4.928 5.959
107 HA LEU 18 HA LEU 18 11.309 -2.903 8.078
108 HB2 LEU 18 HB2 LEU 18 11.275 -5.285 8.730
109 HB3 LEU 18 HB1 LEU 18 12.760 -5.549 7.814
110 HG LEU 18 HG LEU 18 13.958 -3.964 9.239
111 HD11 LEU 18 HD11 LEU 18 12.726 -3.100 11.293
112 HD12 LEU 18 HD12 LEU 18 11.231 -3.609 10.506
113 HD13 LEU 18 HD13 LEU 18 12.243 -2.371 9.762
114 HD21 LEU 18 HD21 LEU 18 13.105 -5.252 11.535
115 HD22 LEU 18 HD22 LEU 18 14.291 -5.887 10.396
116 HD23 LEU 18 HD23 LEU 18 12.598 -6.358 10.259
117 H CYS 19 HN CYS 19 12.612 -3.400 5.101
118 HA CYS 19 HA CYS 19 14.314 -2.338 3.976
119 HB2 CYS 19 HB2 CYS 19 14.032 -0.793 6.361
120 HB3 CYS 19 HB1 CYS 19 15.752 -1.001 6.031
121 H VAL 20 HN VAL 20 14.899 -4.718 4.082
122 HA VAL 20 HA VAL 20 16.904 -5.669 5.824
123 HB VAL 20 HB VAL 20 16.461 -6.576 2.977
124 HG11 VAL 20 HG11 VAL 20 16.851 -8.785 4.511
125 HG12 VAL 20 HG12 VAL 20 17.814 -7.608 5.404
126 HG13 VAL 20 HG13 VAL 20 18.160 -7.920 3.704
127 HG21 VAL 20 HG21 VAL 20 14.693 -8.028 3.847
128 HG22 VAL 20 HG22 VAL 20 14.292 -6.346 4.195
129 HG23 VAL 20 HG23 VAL 20 14.930 -7.382 5.471
130 H ARG 21 HN ARG 21 17.071 -4.187 2.600
131 HA ARG 21 HA ARG 21 19.887 -4.404 2.310
132 HB2 ARG 21 HB2 ARG 21 18.338 -4.004 0.417
133 HB3 ARG 21 HB1 ARG 21 18.004 -2.392 1.053
134 HG2 ARG 21 HG2 ARG 21 20.407 -1.829 0.865
135 HG3 ARG 21 HG1 ARG 21 20.721 -3.428 0.191
136 HD2 ARG 21 HD2 ARG 21 18.798 -1.427 -1.024
137 HD3 ARG 21 HD1 ARG 21 20.468 -1.628 -1.547
138 HE ARG 21 HE ARG 21 19.217 -4.150 -1.602
139 HH11 ARG 21 HH11 ARG 21 19.088 -1.052 -3.140
140 HH12 ARG 21 HH12 ARG 21 18.526 -1.674 -4.656
141 HH21 ARG 21 HH21 ARG 21 18.478 -4.973 -3.587
142 HH22 ARG 21 HH22 ARG 21 18.179 -3.893 -4.907
Start of MODEL 16
1 H1 ALA 1 HT1 ALA 1 21.331 0.747 -1.680
2 H2 ALA 1 HT2 ALA 1 21.646 0.841 -3.348
3 H3 ALA 1 HT3 ALA 1 21.178 2.230 -2.489
4 HA ALA 1 HA ALA 1 23.371 1.395 -1.127
5 HB1 ALA 1 HB1 ALA 1 23.671 -0.195 -3.127
6 HB2 ALA 1 HB2 ALA 1 25.051 0.821 -2.709
7 HB3 ALA 1 HB3 ALA 1 24.022 1.251 -4.075
8 H GLY 2 HN GLY 2 22.382 3.088 -4.095
9 HA2 GLY 2 HA2 GLY 2 24.133 5.291 -3.843
10 HA3 GLY 2 HA1 GLY 2 22.633 5.275 -4.768
11 H GLY 3 HN GLY 3 20.903 4.662 -2.567
12 HA2 GLY 3 HA2 GLY 3 20.365 5.648 -0.388
13 HA3 GLY 3 HA1 GLY 3 21.145 7.125 -0.945
14 H DBU 4 HN DHB 4 18.339 5.026 -1.359
15 HB DBU 4 HB DHB 4 15.351 6.459 -3.564
16 HG1 DBU 4 HG1 DHB 4 17.442 4.461 -4.285
17 HG2 DBU 4 HG2 DHB 4 17.878 6.039 -4.937
18 HG3 DBU 4 HG3 DHB 4 16.377 5.264 -5.439
19 H ILE 5 HN ILE 5 14.636 5.648 -1.446
20 HA ILE 5 HA ILE 5 14.602 7.266 0.918
21 HB ILE 5 HB ILE 5 12.668 8.031 -1.278
22 HG12 ILE 5 HG12 ILE 5 15.045 8.841 -1.665
23 HG13 ILE 5 HG11 ILE 5 13.859 10.125 -1.455
24 HG21 ILE 5 HG21 ILE 5 13.089 8.789 1.598
25 HG22 ILE 5 HG22 ILE 5 11.584 8.426 0.753
26 HG23 ILE 5 HG23 ILE 5 12.399 9.966 0.479
27 HD11 ILE 5 HD11 ILE 5 15.018 9.220 1.082
28 HD12 ILE 5 HD12 ILE 5 14.817 10.859 0.459
29 HD13 ILE 5 HD13 ILE 5 16.214 9.895 -0.025
30 HA PRO 6 HA PRO 6 10.460 4.886 0.404
31 HB2 PRO 6 HB2 PRO 6 10.853 3.077 -1.872
32 HB3 PRO 6 HB1 PRO 6 9.534 4.220 -1.563
33 HG2 PRO 6 HG2 PRO 6 11.357 4.602 -3.502
34 HG3 PRO 6 HG1 PRO 6 10.593 5.942 -2.624
35 HD2 PRO 6 HD2 PRO 6 13.320 4.740 -2.225
36 HD3 PRO 6 HD1 PRO 6 12.834 6.441 -2.216
37 H DAL 7 HN DAL 7 13.597 3.623 -0.019
38 HA DAL 7 HA DAL 7 13.014 0.934 0.820
39 HB1 DAL 7 HB2 DAL 7 14.731 1.976 2.860
40 HB2 DAL 7 HB3 DAL 7 13.196 1.134 3.036
41 H LEU 8 HN LEU 8 14.754 2.859 -0.994
42 HA LEU 8 HA LEU 8 16.893 1.019 -1.309
43 HB2 LEU 8 HB2 LEU 8 16.851 3.898 -2.257
44 HB3 LEU 8 HB1 LEU 8 17.740 2.547 -2.960
45 HG LEU 8 HG LEU 8 14.802 3.156 -3.083
46 HD11 LEU 8 HD11 LEU 8 15.546 3.644 -5.162
47 HD12 LEU 8 HD12 LEU 8 15.607 1.900 -5.402
48 HD13 LEU 8 HD13 LEU 8 17.059 2.773 -4.916
49 HD21 LEU 8 HD21 LEU 8 14.505 0.981 -2.328
50 HD22 LEU 8 HD22 LEU 8 16.066 0.439 -2.941
51 HD23 LEU 8 HD23 LEU 8 14.718 0.685 -4.052
52 H MET 9 HN MET 9 16.416 3.932 0.537
53 HA MET 9 HA MET 9 19.096 4.468 1.272
54 HB2 MET 9 HB2 MET 9 16.576 5.002 2.863
55 HB3 MET 9 HB1 MET 9 18.118 5.843 3.022
56 HG2 MET 9 HG2 MET 9 17.756 6.310 0.447
57 HG3 MET 9 HG1 MET 9 16.066 5.999 0.851
58 HE1 MET 9 HE1 MET 9 15.749 7.996 4.048
59 HE2 MET 9 HE2 MET 9 15.328 6.572 3.102
60 HE3 MET 9 HE3 MET 9 14.609 8.129 2.700
61 H DBB 10 HN DBB 10 16.543 2.467 2.739
62 HA DBB 10 HA DBB 10 18.606 1.238 4.470
63 HB2 DBB 10 HB2 DBB 10 17.437 -0.119 2.601
64 HG1 DBB 10 HG1 DBB 10 15.325 -1.219 3.768
65 HG2 DBB 10 HG2 DBB 10 15.178 0.204 2.756
66 HG3 DBB 10 HG3 DBB 10 15.204 0.369 4.499
67 H GLY 11 HN GLY 11 15.404 2.575 4.288
68 HA2 GLY 11 HA2 GLY 11 14.654 1.816 6.951
69 HA3 GLY 11 HA1 GLY 11 15.199 3.478 6.819
70 H CYS 12 HN CYS 12 12.882 1.156 5.474
71 HA CYS 12 HA CYS 12 10.779 3.148 5.468
72 HB2 CYS 12 HB2 CYS 12 11.151 1.919 2.821
73 HB3 CYS 12 HB1 CYS 12 10.520 3.507 3.226
74 H GLY 13 HN GLY 13 9.241 1.860 3.455
75 HA2 GLY 13 HA2 GLY 13 8.785 -0.841 4.549
76 HA3 GLY 13 HA1 GLY 13 7.457 0.292 4.362
77 H TRP 14 HN TRP 14 9.961 0.448 2.046
78 HA TRP 14 HA TRP 14 8.428 0.231 -0.200
79 HB2 TRP 14 HB2 TRP 14 10.514 -0.387 -1.386
80 HB3 TRP 14 HB1 TRP 14 10.742 0.950 -0.286
81 HD1 TRP 14 HD1 TRP 14 10.617 -1.379 2.207
82 HE1 TRP 14 HE1 TRP 14 12.854 -2.535 2.744
83 HE3 TRP 14 HE3 TRP 14 13.196 -0.337 -2.072
84 HZ2 TRP 14 HZ2 TRP 14 15.400 -2.967 1.521
85 HZ3 TRP 14 HZ3 TRP 14 15.522 -1.139 -2.362
86 HH2 TRP 14 HH2 TRP 14 16.628 -2.452 -0.573
87 H LEU 15 HN LEU 15 10.592 -2.291 -0.635
88 HA LEU 15 HA LEU 15 8.403 -4.217 -0.789
89 HB2 LEU 15 HB2 LEU 15 10.439 -5.495 -1.954
90 HB3 LEU 15 HB1 LEU 15 9.464 -4.313 -2.825
91 HG LEU 15 HG LEU 15 11.930 -3.487 -1.287
92 HD11 LEU 15 HD11 LEU 15 12.620 -3.534 -3.980
93 HD12 LEU 15 HD12 LEU 15 11.755 -5.052 -3.740
94 HD13 LEU 15 HD13 LEU 15 13.163 -4.673 -2.749
95 HD21 LEU 15 HD21 LEU 15 11.063 -2.162 -3.810
96 HD22 LEU 15 HD22 LEU 15 11.664 -1.444 -2.315
97 HD23 LEU 15 HD23 LEU 15 9.983 -1.964 -2.430
98 H DBU 16 HN DHB 16 11.384 -3.530 0.901
99 HB DBU 16 HB DHB 16 13.088 -6.309 3.181
100 HG1 DBU 16 HG1 DHB 16 14.737 -5.938 1.398
101 HG2 DBU 16 HG2 DHB 16 13.497 -5.288 0.327
102 HG3 DBU 16 HG3 DHB 16 13.556 -7.018 0.659
103 H GLY 17 HN GLY 17 11.167 -3.006 3.514
104 HA2 GLY 17 HA2 GLY 17 9.317 -2.539 4.974
105 HA3 GLY 17 HA1 GLY 17 9.202 -4.259 5.320
106 H LEU 18 HN LEU 18 12.246 -4.305 5.502
107 HA LEU 18 HA LEU 18 12.728 -2.777 7.945
108 HB2 LEU 18 HB2 LEU 18 12.601 -5.782 7.833
109 HB3 LEU 18 HB1 LEU 18 13.599 -4.950 9.027
110 HG LEU 18 HG LEU 18 11.329 -3.555 9.350
111 HD11 LEU 18 HD11 LEU 18 9.398 -4.663 8.793
112 HD12 LEU 18 HD12 LEU 18 10.126 -6.254 9.013
113 HD13 LEU 18 HD13 LEU 18 10.433 -5.340 7.535
114 HD21 LEU 18 HD21 LEU 18 11.036 -4.770 11.349
115 HD22 LEU 18 HD22 LEU 18 12.732 -5.051 10.956
116 HD23 LEU 18 HD23 LEU 18 11.529 -6.291 10.602
117 H CYS 19 HN CYS 19 13.812 -2.643 5.298
118 HA CYS 19 HA CYS 19 15.801 -2.906 4.101
119 HB2 CYS 19 HB2 CYS 19 15.969 -0.933 5.783
120 HB3 CYS 19 HB1 CYS 19 17.061 -1.989 6.674
121 H VAL 20 HN VAL 20 16.203 -5.016 3.696
122 HA VAL 20 HA VAL 20 17.761 -6.506 5.711
123 HB VAL 20 HB VAL 20 16.577 -7.882 3.349
124 HG11 VAL 20 HG11 VAL 20 17.813 -8.567 5.794
125 HG12 VAL 20 HG12 VAL 20 17.077 -9.668 4.627
126 HG13 VAL 20 HG13 VAL 20 16.119 -9.029 5.963
127 HG21 VAL 20 HG21 VAL 20 14.690 -6.520 3.977
128 HG22 VAL 20 HG22 VAL 20 15.003 -6.776 5.694
129 HG23 VAL 20 HG23 VAL 20 14.426 -8.109 4.696
130 H ARG 21 HN ARG 21 17.937 -4.891 2.740
131 HA ARG 21 HA ARG 21 19.556 -6.136 1.026
132 HB2 ARG 21 HB2 ARG 21 20.658 -4.051 0.521
133 HB3 ARG 21 HB1 ARG 21 18.991 -3.680 0.967
134 HG2 ARG 21 HG2 ARG 21 19.746 -3.183 3.283
135 HG3 ARG 21 HG1 ARG 21 21.411 -3.488 2.787
136 HD2 ARG 21 HD2 ARG 21 19.605 -1.397 1.545
137 HD3 ARG 21 HD1 ARG 21 20.829 -1.062 2.764
138 HE ARG 21 HE ARG 21 21.294 -1.659 -0.041
139 HH11 ARG 21 HH11 ARG 21 22.556 -1.531 3.178
140 HH12 ARG 21 HH12 ARG 21 24.207 -1.383 2.674
141 HH21 ARG 21 HH21 ARG 21 23.456 -1.459 -0.711
142 HH22 ARG 21 HH22 ARG 21 24.716 -1.342 0.472
Start of MODEL 17
1 H1 ALA 1 HT1 ALA 1 18.635 3.367 -11.658
2 H2 ALA 1 HT2 ALA 1 18.832 1.821 -12.332
3 H3 ALA 1 HT3 ALA 1 20.175 2.659 -11.714
4 HA ALA 1 HA ALA 1 19.004 0.786 -10.333
5 HB1 ALA 1 HB1 ALA 1 19.488 2.776 -8.394
6 HB2 ALA 1 HB2 ALA 1 20.565 3.147 -9.739
7 HB3 ALA 1 HB3 ALA 1 20.625 1.559 -8.975
8 H GLY 2 HN GLY 2 18.017 1.714 -7.891
9 HA2 GLY 2 HA2 GLY 2 15.227 2.133 -8.584
10 HA3 GLY 2 HA1 GLY 2 15.869 1.800 -6.979
11 H GLY 3 HN GLY 3 14.150 3.587 -6.636
12 HA2 GLY 3 HA2 GLY 3 14.659 6.258 -7.379
13 HA3 GLY 3 HA1 GLY 3 13.681 5.751 -6.006
14 H DBU 4 HN DHB 4 15.639 4.388 -4.504
15 HB DBU 4 HB DHB 4 19.092 5.638 -2.850
16 HG1 DBU 4 HG1 DHB 4 18.258 4.317 -5.498
17 HG2 DBU 4 HG2 DHB 4 19.488 3.631 -4.432
18 HG3 DBU 4 HG3 DHB 4 19.802 5.144 -5.286
19 H ILE 5 HN ILE 5 14.769 5.369 -2.795
20 HA ILE 5 HA ILE 5 15.130 6.943 -0.399
21 HB ILE 5 HB ILE 5 13.654 7.912 -2.773
22 HG12 ILE 5 HG12 ILE 5 14.306 10.076 -1.447
23 HG13 ILE 5 HG11 ILE 5 15.373 8.994 -0.560
24 HG21 ILE 5 HG21 ILE 5 12.354 9.392 -1.053
25 HG22 ILE 5 HG22 ILE 5 12.681 8.074 0.074
26 HG23 ILE 5 HG23 ILE 5 11.749 7.770 -1.393
27 HD11 ILE 5 HD11 ILE 5 16.858 9.204 -2.233
28 HD12 ILE 5 HD12 ILE 5 15.702 10.113 -3.208
29 HD13 ILE 5 HD13 ILE 5 15.720 8.351 -3.279
30 HA PRO 6 HA PRO 6 10.652 5.001 -0.545
31 HB2 PRO 6 HB2 PRO 6 11.277 2.734 -2.370
32 HB3 PRO 6 HB1 PRO 6 9.794 3.701 -2.234
33 HG2 PRO 6 HG2 PRO 6 11.461 4.052 -4.279
34 HG3 PRO 6 HG1 PRO 6 10.610 5.415 -3.530
35 HD2 PRO 6 HD2 PRO 6 13.471 4.620 -3.253
36 HD3 PRO 6 HD1 PRO 6 12.755 6.234 -3.285
37 H DAL 7 HN DAL 7 13.596 3.140 -1.019
38 HA DAL 7 HA DAL 7 13.146 0.889 0.435
39 HB1 DAL 7 HB2 DAL 7 13.244 3.283 2.110
40 HB2 DAL 7 HB3 DAL 7 14.248 1.950 2.665
41 H LEU 8 HN LEU 8 15.113 2.720 -1.291
42 HA LEU 8 HA LEU 8 17.325 0.978 -1.049
43 HB2 LEU 8 HB2 LEU 8 17.418 3.767 -2.193
44 HB3 LEU 8 HB1 LEU 8 18.415 2.384 -2.635
45 HG LEU 8 HG LEU 8 15.560 2.970 -3.336
46 HD11 LEU 8 HD11 LEU 8 16.716 3.297 -5.261
47 HD12 LEU 8 HD12 LEU 8 16.753 1.538 -5.365
48 HD13 LEU 8 HD13 LEU 8 18.120 2.408 -4.671
49 HD21 LEU 8 HD21 LEU 8 15.616 0.424 -4.097
50 HD22 LEU 8 HD22 LEU 8 15.091 0.861 -2.471
51 HD23 LEU 8 HD23 LEU 8 16.732 0.272 -2.740
52 H MET 9 HN MET 9 16.391 3.890 0.551
53 HA MET 9 HA MET 9 18.883 4.755 1.547
54 HB2 MET 9 HB2 MET 9 16.213 4.989 2.953
55 HB3 MET 9 HB1 MET 9 17.596 6.071 3.082
56 HG2 MET 9 HG2 MET 9 17.351 6.511 0.598
57 HG3 MET 9 HG1 MET 9 15.811 5.659 0.697
58 HE1 MET 9 HE1 MET 9 14.540 5.872 2.772
59 HE2 MET 9 HE2 MET 9 13.441 7.152 2.261
60 HE3 MET 9 HE3 MET 9 14.335 7.317 3.770
61 H DBB 10 HN DBB 10 16.494 2.421 2.725
62 HA DBB 10 HA DBB 10 18.534 1.361 4.563
63 HB2 DBB 10 HB2 DBB 10 17.376 -0.020 2.703
64 HG1 DBB 10 HG1 DBB 10 15.311 -1.170 3.676
65 HG2 DBB 10 HG2 DBB 10 15.122 0.446 3.003
66 HG3 DBB 10 HG3 DBB 10 15.202 0.224 4.747
67 H GLY 11 HN GLY 11 15.149 2.380 4.421
68 HA2 GLY 11 HA2 GLY 11 14.538 1.699 7.112
69 HA3 GLY 11 HA1 GLY 11 15.088 3.361 7.005
70 H CYS 12 HN CYS 12 12.829 1.152 5.354
71 HA CYS 12 HA CYS 12 10.698 3.161 5.549
72 HB2 CYS 12 HB2 CYS 12 10.261 3.007 3.135
73 HB3 CYS 12 HB1 CYS 12 11.895 3.608 3.428
74 H GLY 13 HN GLY 13 9.028 1.948 3.685
75 HA2 GLY 13 HA2 GLY 13 8.531 -0.733 4.831
76 HA3 GLY 13 HA1 GLY 13 7.247 0.396 4.412
77 H TRP 14 HN TRP 14 9.756 0.712 2.271
78 HA TRP 14 HA TRP 14 8.438 0.092 -0.035
79 HB2 TRP 14 HB2 TRP 14 10.545 0.106 -1.110
80 HB3 TRP 14 HB1 TRP 14 10.794 1.094 0.325
81 HD1 TRP 14 HD1 TRP 14 10.871 -1.357 2.370
82 HE1 TRP 14 HE1 TRP 14 13.006 -2.796 2.517
83 HE3 TRP 14 HE3 TRP 14 12.963 -0.276 -2.152
84 HZ2 TRP 14 HZ2 TRP 14 15.298 -3.404 0.920
85 HZ3 TRP 14 HZ3 TRP 14 15.122 -1.295 -2.815
86 HH2 TRP 14 HH2 TRP 14 16.293 -2.855 -1.285
87 H LEU 15 HN LEU 15 9.305 -1.793 -1.561
88 HA LEU 15 HA LEU 15 8.058 -4.085 -1.214
89 HB2 LEU 15 HB2 LEU 15 10.045 -5.289 -2.282
90 HB3 LEU 15 HB1 LEU 15 9.416 -3.887 -3.148
91 HG LEU 15 HG LEU 15 11.660 -3.607 -1.154
92 HD11 LEU 15 HD11 LEU 15 11.848 -5.199 -3.417
93 HD12 LEU 15 HD12 LEU 15 13.201 -4.431 -2.584
94 HD13 LEU 15 HD13 LEU 15 12.454 -3.637 -3.971
95 HD21 LEU 15 HD21 LEU 15 12.042 -1.771 -3.133
96 HD22 LEU 15 HD22 LEU 15 11.080 -1.467 -1.690
97 HD23 LEU 15 HD23 LEU 15 10.288 -1.941 -3.187
98 H DBU 16 HN DHB 16 11.014 -3.255 0.559
99 HB DBU 16 HB DHB 16 12.465 -6.033 3.068
100 HG1 DBU 16 HG1 DHB 16 12.299 -6.312 0.074
101 HG2 DBU 16 HG2 DHB 16 13.381 -7.162 1.178
102 HG3 DBU 16 HG3 DHB 16 13.758 -5.517 0.668
103 H GLY 17 HN GLY 17 11.896 -2.932 3.632
104 HA2 GLY 17 HA2 GLY 17 10.104 -1.705 4.938
105 HA3 GLY 17 HA1 GLY 17 9.554 -3.311 5.401
106 H LEU 18 HN LEU 18 12.015 -4.562 5.836
107 HA LEU 18 HA LEU 18 12.948 -3.108 8.233
108 HB2 LEU 18 HB2 LEU 18 12.902 -6.065 7.594
109 HB3 LEU 18 HB1 LEU 18 13.699 -5.377 9.010
110 HG LEU 18 HG LEU 18 10.775 -4.926 8.355
111 HD11 LEU 18 HD11 LEU 18 11.985 -6.845 10.369
112 HD12 LEU 18 HD12 LEU 18 11.303 -7.333 8.817
113 HD13 LEU 18 HD13 LEU 18 10.268 -6.603 10.046
114 HD21 LEU 18 HD21 LEU 18 12.522 -3.592 10.070
115 HD22 LEU 18 HD22 LEU 18 11.678 -4.724 11.128
116 HD23 LEU 18 HD23 LEU 18 10.761 -3.567 10.164
117 H CYS 19 HN CYS 19 13.923 -2.652 5.513
118 HA CYS 19 HA CYS 19 15.878 -2.879 4.219
119 HB2 CYS 19 HB2 CYS 19 16.006 -0.926 5.930
120 HB3 CYS 19 HB1 CYS 19 17.164 -1.952 6.771
121 H VAL 20 HN VAL 20 15.963 -5.201 4.091
122 HA VAL 20 HA VAL 20 17.785 -6.536 5.971
123 HB VAL 20 HB VAL 20 17.064 -8.591 4.647
124 HG11 VAL 20 HG11 VAL 20 14.901 -8.707 5.797
125 HG12 VAL 20 HG12 VAL 20 14.894 -6.955 5.997
126 HG13 VAL 20 HG13 VAL 20 16.093 -7.934 6.843
127 HG21 VAL 20 HG21 VAL 20 16.326 -7.267 2.643
128 HG22 VAL 20 HG22 VAL 20 14.989 -6.636 3.603
129 HG23 VAL 20 HG23 VAL 20 15.082 -8.360 3.247
130 H ARG 21 HN ARG 21 17.924 -4.874 3.092
131 HA ARG 21 HA ARG 21 19.418 -6.171 1.263
132 HB2 ARG 21 HB2 ARG 21 20.407 -4.107 0.647
133 HB3 ARG 21 HB1 ARG 21 18.838 -3.689 1.339
134 HG2 ARG 21 HG2 ARG 21 19.901 -3.206 3.499
135 HG3 ARG 21 HG1 ARG 21 21.472 -3.652 2.834
136 HD2 ARG 21 HD2 ARG 21 20.710 -1.844 0.985
137 HD3 ARG 21 HD1 ARG 21 19.851 -1.204 2.386
138 HE ARG 21 HE ARG 21 22.493 -1.804 3.146
139 HH11 ARG 21 HH11 ARG 21 20.686 0.350 1.129
140 HH12 ARG 21 HH12 ARG 21 21.835 1.641 1.239
141 HH21 ARG 21 HH21 ARG 21 24.014 -0.118 3.284
142 HH22 ARG 21 HH22 ARG 21 23.720 1.376 2.459
Start of MODEL 18
1 H1 ALA 1 HT1 ALA 1 12.026 7.423 -12.632
2 H2 ALA 1 HT2 ALA 1 13.435 6.549 -13.001
3 H3 ALA 1 HT3 ALA 1 13.368 7.505 -11.599
4 HA ALA 1 HA ALA 1 11.625 6.073 -10.697
5 HB1 ALA 1 HB1 ALA 1 12.199 4.513 -13.232
6 HB2 ALA 1 HB2 ALA 1 10.674 5.280 -12.791
7 HB3 ALA 1 HB3 ALA 1 11.260 3.890 -11.876
8 H GLY 2 HN GLY 2 14.292 6.721 -10.248
9 HA2 GLY 2 HA2 GLY 2 16.088 4.542 -10.290
10 HA3 GLY 2 HA1 GLY 2 16.201 5.939 -9.223
11 H GLY 3 HN GLY 3 13.707 5.612 -7.897
12 HA2 GLY 3 HA2 GLY 3 12.634 4.363 -6.258
13 HA3 GLY 3 HA1 GLY 3 13.589 2.966 -6.744
14 H DBU 4 HN DHB 4 15.357 5.849 -6.138
15 HB DBU 4 HB DHB 4 18.044 5.440 -3.183
16 HG1 DBU 4 HG1 DHB 4 17.562 3.619 -5.625
17 HG2 DBU 4 HG2 DHB 4 18.851 3.434 -4.435
18 HG3 DBU 4 HG3 DHB 4 18.950 4.708 -5.651
19 H ILE 5 HN ILE 5 15.039 4.923 -2.173
20 HA ILE 5 HA ILE 5 15.106 6.902 -0.426
21 HB ILE 5 HB ILE 5 13.712 7.886 -2.844
22 HG12 ILE 5 HG12 ILE 5 15.929 8.669 -1.676
23 HG13 ILE 5 HG11 ILE 5 14.816 9.879 -2.308
24 HG21 ILE 5 HG21 ILE 5 12.371 9.470 -1.309
25 HG22 ILE 5 HG22 ILE 5 12.673 8.295 -0.027
26 HG23 ILE 5 HG23 ILE 5 11.762 7.823 -1.463
27 HD11 ILE 5 HD11 ILE 5 15.713 10.232 0.094
28 HD12 ILE 5 HD12 ILE 5 14.628 8.918 0.550
29 HD13 ILE 5 HD13 ILE 5 13.975 10.399 -0.152
30 HA PRO 6 HA PRO 6 10.508 5.194 -0.483
31 HB2 PRO 6 HB2 PRO 6 10.927 2.963 -2.400
32 HB3 PRO 6 HB1 PRO 6 9.542 4.060 -2.224
33 HG2 PRO 6 HG2 PRO 6 11.227 4.322 -4.270
34 HG3 PRO 6 HG1 PRO 6 10.523 5.735 -3.466
35 HD2 PRO 6 HD2 PRO 6 13.293 4.622 -3.203
36 HD3 PRO 6 HD1 PRO 6 12.749 6.310 -3.235
37 H DAL 7 HN DAL 7 13.467 3.468 -0.732
38 HA DAL 7 HA DAL 7 12.928 1.024 0.410
39 HB1 DAL 7 HB2 DAL 7 12.978 3.258 2.336
40 HB2 DAL 7 HB3 DAL 7 13.859 1.811 2.795
41 H LEU 8 HN LEU 8 14.795 2.744 -1.247
42 HA LEU 8 HA LEU 8 17.110 1.233 -1.069
43 HB2 LEU 8 HB2 LEU 8 16.494 3.965 -2.150
44 HB3 LEU 8 HB1 LEU 8 18.132 3.321 -2.221
45 HG LEU 8 HG LEU 8 16.466 2.933 -4.217
46 HD11 LEU 8 HD11 LEU 8 17.593 0.355 -3.869
47 HD12 LEU 8 HD12 LEU 8 18.691 1.510 -3.108
48 HD13 LEU 8 HD13 LEU 8 18.242 1.703 -4.802
49 HD21 LEU 8 HD21 LEU 8 14.648 1.962 -2.870
50 HD22 LEU 8 HD22 LEU 8 15.732 0.691 -2.304
51 HD23 LEU 8 HD23 LEU 8 15.270 0.766 -4.005
52 H MET 9 HN MET 9 16.111 4.058 0.712
53 HA MET 9 HA MET 9 18.608 4.872 1.731
54 HB2 MET 9 HB2 MET 9 15.941 5.027 3.142
55 HB3 MET 9 HB1 MET 9 17.327 6.089 3.367
56 HG2 MET 9 HG2 MET 9 16.558 5.987 0.576
57 HG3 MET 9 HG1 MET 9 15.193 6.460 1.594
58 HE1 MET 9 HE1 MET 9 18.912 6.741 1.198
59 HE2 MET 9 HE2 MET 9 19.280 8.465 1.202
60 HE3 MET 9 HE3 MET 9 18.416 7.759 -0.161
61 H DBB 10 HN DBB 10 16.227 2.497 2.860
62 HA DBB 10 HA DBB 10 18.289 1.362 4.639
63 HB2 DBB 10 HB2 DBB 10 17.169 0.022 2.756
64 HG1 DBB 10 HG1 DBB 10 14.916 0.454 2.909
65 HG2 DBB 10 HG2 DBB 10 14.889 0.358 4.659
66 HG3 DBB 10 HG3 DBB 10 15.030 -1.096 3.694
67 H GLY 11 HN GLY 11 14.956 2.443 4.496
68 HA2 GLY 11 HA2 GLY 11 14.320 1.659 7.167
69 HA3 GLY 11 HA1 GLY 11 14.778 3.348 7.065
70 H CYS 12 HN CYS 12 12.586 0.969 5.558
71 HA CYS 12 HA CYS 12 10.347 2.795 5.741
72 HB2 CYS 12 HB2 CYS 12 9.924 2.983 3.381
73 HB3 CYS 12 HB1 CYS 12 11.584 3.499 3.662
74 H GLY 13 HN GLY 13 8.723 1.698 3.853
75 HA2 GLY 13 HA2 GLY 13 8.508 -1.152 4.611
76 HA3 GLY 13 HA1 GLY 13 7.118 -0.084 4.511
77 H TRP 14 HN TRP 14 9.620 0.371 2.221
78 HA TRP 14 HA TRP 14 8.087 0.238 -0.047
79 HB2 TRP 14 HB2 TRP 14 10.201 -0.139 -1.280
80 HB3 TRP 14 HB1 TRP 14 10.373 1.099 -0.055
81 HD1 TRP 14 HD1 TRP 14 10.455 -1.219 2.305
82 HE1 TRP 14 HE1 TRP 14 12.704 -2.401 2.706
83 HE3 TRP 14 HE3 TRP 14 12.763 -0.205 -2.116
84 HZ2 TRP 14 HZ2 TRP 14 15.167 -2.857 1.325
85 HZ3 TRP 14 HZ3 TRP 14 15.053 -1.024 -2.556
86 HH2 TRP 14 HH2 TRP 14 16.262 -2.344 -0.844
87 H LEU 15 HN LEU 15 10.392 -2.076 -0.711
88 HA LEU 15 HA LEU 15 8.357 -4.128 -1.058
89 HB2 LEU 15 HB2 LEU 15 10.662 -5.204 -2.040
90 HB3 LEU 15 HB1 LEU 15 9.549 -4.221 -2.989
91 HG LEU 15 HG LEU 15 11.796 -2.994 -1.379
92 HD11 LEU 15 HD11 LEU 15 11.886 -4.453 -3.941
93 HD12 LEU 15 HD12 LEU 15 13.184 -4.076 -2.809
94 HD13 LEU 15 HD13 LEU 15 12.647 -2.862 -3.969
95 HD21 LEU 15 HD21 LEU 15 9.663 -1.780 -2.490
96 HD22 LEU 15 HD22 LEU 15 10.710 -1.833 -3.907
97 HD23 LEU 15 HD23 LEU 15 11.253 -1.018 -2.442
98 H DBU 16 HN DHB 16 11.444 -3.610 0.644
99 HB DBU 16 HB DHB 16 12.907 -6.534 2.883
100 HG1 DBU 16 HG1 DHB 16 13.514 -7.360 0.559
101 HG2 DBU 16 HG2 DHB 16 14.511 -5.965 0.971
102 HG3 DBU 16 HG3 DHB 16 13.116 -5.769 -0.090
103 H GLY 17 HN GLY 17 11.516 -3.156 3.465
104 HA2 GLY 17 HA2 GLY 17 9.511 -2.642 4.870
105 HA3 GLY 17 HA1 GLY 17 9.563 -4.332 5.354
106 H LEU 18 HN LEU 18 11.981 -4.934 6.037
107 HA LEU 18 HA LEU 18 12.633 -3.047 8.197
108 HB2 LEU 18 HB2 LEU 18 13.334 -5.965 7.820
109 HB3 LEU 18 HB1 LEU 18 13.878 -4.974 9.174
110 HG LEU 18 HG LEU 18 10.971 -5.437 8.449
111 HD11 LEU 18 HD11 LEU 18 12.870 -6.837 10.303
112 HD12 LEU 18 HD12 LEU 18 11.604 -7.516 9.283
113 HD13 LEU 18 HD13 LEU 18 11.180 -6.678 10.775
114 HD21 LEU 18 HD21 LEU 18 11.098 -4.640 11.071
115 HD22 LEU 18 HD22 LEU 18 10.785 -3.554 9.719
116 HD23 LEU 18 HD23 LEU 18 12.419 -3.713 10.362
117 H CYS 19 HN CYS 19 13.574 -3.493 5.145
118 HA CYS 19 HA CYS 19 15.439 -2.795 3.992
119 HB2 CYS 19 HB2 CYS 19 15.562 -1.044 5.826
120 HB3 CYS 19 HB1 CYS 19 16.648 -2.129 6.676
121 H VAL 20 HN VAL 20 15.653 -5.080 3.529
122 HA VAL 20 HA VAL 20 17.255 -6.815 5.090
123 HB VAL 20 HB VAL 20 16.669 -6.873 2.121
124 HG11 VAL 20 HG11 VAL 20 17.031 -9.462 3.117
125 HG12 VAL 20 HG12 VAL 20 18.322 -8.522 3.863
126 HG13 VAL 20 HG13 VAL 20 18.165 -8.564 2.108
127 HG21 VAL 20 HG21 VAL 20 14.610 -6.942 3.380
128 HG22 VAL 20 HG22 VAL 20 15.298 -8.076 4.543
129 HG23 VAL 20 HG23 VAL 20 14.974 -8.599 2.890
130 H ARG 21 HN ARG 21 18.001 -4.734 2.300
131 HA ARG 21 HA ARG 21 20.654 -5.471 1.889
132 HB2 ARG 21 HB2 ARG 21 19.385 -3.955 0.403
133 HB3 ARG 21 HB1 ARG 21 19.469 -2.695 1.637
134 HG2 ARG 21 HG2 ARG 21 21.932 -2.747 1.533
135 HG3 ARG 21 HG1 ARG 21 21.856 -4.012 0.306
136 HD2 ARG 21 HD2 ARG 21 20.624 -2.491 -1.193
137 HD3 ARG 21 HD1 ARG 21 20.688 -1.226 0.032
138 HE ARG 21 HE ARG 21 22.918 -2.168 -1.616
139 HH11 ARG 21 HH11 ARG 21 21.736 -0.267 1.023
140 HH12 ARG 21 HH12 ARG 21 23.125 0.766 1.083
141 HH21 ARG 21 HH21 ARG 21 24.745 -0.816 -1.543
142 HH22 ARG 21 HH22 ARG 21 24.829 0.455 -0.370
Start of MODEL 19
1 H1 ALA 1 HT1 ALA 1 16.228 9.795 -11.777
2 H2 ALA 1 HT2 ALA 1 16.423 10.887 -10.489
3 H3 ALA 1 HT3 ALA 1 15.818 11.428 -11.982
4 HA ALA 1 HA ALA 1 14.290 10.787 -9.879
5 HB1 ALA 1 HB1 ALA 1 12.919 10.143 -12.348
6 HB2 ALA 1 HB2 ALA 1 13.979 11.535 -12.577
7 HB3 ALA 1 HB3 ALA 1 12.743 11.566 -11.319
8 H GLY 2 HN GLY 2 13.132 9.050 -9.112
9 HA2 GLY 2 HA2 GLY 2 12.388 6.858 -8.913
10 HA3 GLY 2 HA1 GLY 2 13.057 6.520 -10.505
11 H GLY 3 HN GLY 3 15.233 8.062 -8.397
12 HA2 GLY 3 HA2 GLY 3 17.086 5.930 -8.427
13 HA3 GLY 3 HA1 GLY 3 17.194 7.368 -7.416
14 H DBU 4 HN DHB 4 14.709 6.988 -6.026
15 HB DBU 4 HB DHB 4 13.936 3.965 -3.382
16 HG1 DBU 4 HG1 DHB 4 14.195 3.761 -6.447
17 HG2 DBU 4 HG2 DHB 4 13.204 2.697 -5.447
18 HG3 DBU 4 HG3 DHB 4 14.961 2.537 -5.437
19 H ILE 5 HN ILE 5 14.299 4.919 -2.238
20 HA ILE 5 HA ILE 5 15.517 6.640 -0.642
21 HB ILE 5 HB ILE 5 13.601 8.114 -2.257
22 HG12 ILE 5 HG12 ILE 5 16.046 8.554 -0.602
23 HG13 ILE 5 HG11 ILE 5 15.706 9.063 -2.252
24 HG21 ILE 5 HG21 ILE 5 12.680 9.497 -0.456
25 HG22 ILE 5 HG22 ILE 5 13.520 8.526 0.752
26 HG23 ILE 5 HG23 ILE 5 12.217 7.815 -0.199
27 HD11 ILE 5 HD11 ILE 5 13.891 10.580 -0.962
28 HD12 ILE 5 HD12 ILE 5 15.548 11.118 -1.243
29 HD13 ILE 5 HD13 ILE 5 15.096 10.431 0.319
30 HA PRO 6 HA PRO 6 11.090 5.611 1.214
31 HB2 PRO 6 HB2 PRO 6 10.465 3.416 -0.699
32 HB3 PRO 6 HB1 PRO 6 9.380 4.601 0.050
33 HG2 PRO 6 HG2 PRO 6 10.073 4.824 -2.504
34 HG3 PRO 6 HG1 PRO 6 9.912 6.256 -1.471
35 HD2 PRO 6 HD2 PRO 6 12.403 4.904 -2.422
36 HD3 PRO 6 HD1 PRO 6 12.080 6.633 -2.176
37 H DAL 7 HN DAL 7 12.696 3.009 -0.557
38 HA DAL 7 HA DAL 7 12.831 0.792 0.359
39 HB1 DAL 7 HB2 DAL 7 13.366 2.251 2.939
40 HB2 DAL 7 HB3 DAL 7 13.552 0.512 2.721
41 H LEU 8 HN LEU 8 14.556 2.903 -0.875
42 HA LEU 8 HA LEU 8 16.942 1.398 -1.028
43 HB2 LEU 8 HB2 LEU 8 16.153 4.180 -1.841
44 HB3 LEU 8 HB1 LEU 8 17.821 3.632 -2.011
45 HG LEU 8 HG LEU 8 16.319 3.295 -4.030
46 HD11 LEU 8 HD11 LEU 8 18.245 1.562 -2.770
47 HD12 LEU 8 HD12 LEU 8 18.018 1.902 -4.485
48 HD13 LEU 8 HD13 LEU 8 17.103 0.607 -3.713
49 HD21 LEU 8 HD21 LEU 8 14.359 2.500 -2.616
50 HD22 LEU 8 HD22 LEU 8 15.253 1.004 -2.349
51 HD23 LEU 8 HD23 LEU 8 14.748 1.448 -3.978
52 H MET 9 HN MET 9 15.982 4.198 0.816
53 HA MET 9 HA MET 9 18.382 5.076 1.852
54 HB2 MET 9 HB2 MET 9 15.627 4.910 3.071
55 HB3 MET 9 HB1 MET 9 16.953 5.844 3.776
56 HG2 MET 9 HG2 MET 9 16.293 6.216 0.890
57 HG3 MET 9 HG1 MET 9 15.256 6.962 2.108
58 HE1 MET 9 HE1 MET 9 18.420 6.488 0.458
59 HE2 MET 9 HE2 MET 9 19.483 7.838 0.856
60 HE3 MET 9 HE3 MET 9 18.077 8.105 -0.173
61 H DBB 10 HN DBB 10 16.277 2.469 3.016
62 HA DBB 10 HA DBB 10 18.569 1.451 4.566
63 HB2 DBB 10 HB2 DBB 10 17.635 0.102 2.674
64 HG1 DBB 10 HG1 DBB 10 15.289 0.855 3.236
65 HG2 DBB 10 HG2 DBB 10 15.300 -0.393 4.484
66 HG3 DBB 10 HG3 DBB 10 15.494 -0.840 2.790
67 H GLY 11 HN GLY 11 14.989 1.542 4.707
68 HA2 GLY 11 HA2 GLY 11 14.675 0.639 7.299
69 HA3 GLY 11 HA1 GLY 11 14.993 2.364 7.411
70 H CYS 12 HN CYS 12 12.971 0.146 5.444
71 HA CYS 12 HA CYS 12 10.593 1.636 6.171
72 HB2 CYS 12 HB2 CYS 12 10.144 2.647 4.150
73 HB3 CYS 12 HB1 CYS 12 11.896 2.802 4.230
74 H GLY 13 HN GLY 13 8.673 0.872 4.821
75 HA2 GLY 13 HA2 GLY 13 8.754 -2.064 4.653
76 HA3 GLY 13 HA1 GLY 13 7.310 -1.080 4.818
77 H TRP 14 HN TRP 14 9.972 -0.612 2.573
78 HA TRP 14 HA TRP 14 8.287 -0.107 0.387
79 HB2 TRP 14 HB2 TRP 14 10.348 -0.227 -0.960
80 HB3 TRP 14 HB1 TRP 14 10.561 0.751 0.470
81 HD1 TRP 14 HD1 TRP 14 10.756 -1.981 2.334
82 HE1 TRP 14 HE1 TRP 14 13.039 -3.180 2.419
83 HE3 TRP 14 HE3 TRP 14 12.880 -0.090 -1.887
84 HZ2 TRP 14 HZ2 TRP 14 15.456 -3.308 0.879
85 HZ3 TRP 14 HZ3 TRP 14 15.163 -0.758 -2.563
86 HH2 TRP 14 HH2 TRP 14 16.458 -2.354 -1.188
87 H LEU 15 HN LEU 15 10.530 -2.248 -0.800
88 HA LEU 15 HA LEU 15 8.458 -4.240 -1.352
89 HB2 LEU 15 HB2 LEU 15 10.482 -4.936 -2.973
90 HB3 LEU 15 HB1 LEU 15 9.327 -3.670 -3.399
91 HG LEU 15 HG LEU 15 11.821 -3.024 -1.832
92 HD11 LEU 15 HD11 LEU 15 13.164 -3.038 -3.654
93 HD12 LEU 15 HD12 LEU 15 11.872 -2.512 -4.736
94 HD13 LEU 15 HD13 LEU 15 12.000 -4.210 -4.272
95 HD21 LEU 15 HD21 LEU 15 11.342 -0.821 -2.345
96 HD22 LEU 15 HD22 LEU 15 9.701 -1.469 -2.332
97 HD23 LEU 15 HD23 LEU 15 10.545 -1.231 -3.862
98 H DBU 16 HN DHB 16 10.834 -3.785 0.880
99 HB DBU 16 HB DHB 16 13.015 -7.106 1.893
100 HG1 DBU 16 HG1 DHB 16 12.835 -5.799 -0.882
101 HG2 DBU 16 HG2 DHB 16 13.071 -7.533 -0.658
102 HG3 DBU 16 HG3 DHB 16 14.316 -6.399 -0.134
103 H GLY 17 HN GLY 17 11.432 -3.677 3.051
104 HA2 GLY 17 HA2 GLY 17 9.894 -3.422 4.885
105 HA3 GLY 17 HA1 GLY 17 9.861 -5.172 5.055
106 H LEU 18 HN LEU 18 11.126 -2.347 6.275
107 HA LEU 18 HA LEU 18 12.739 -1.854 7.837
108 HB2 LEU 18 HB2 LEU 18 12.441 -4.821 8.358
109 HB3 LEU 18 HB1 LEU 18 13.349 -3.717 9.393
110 HG LEU 18 HG LEU 18 10.431 -3.318 8.683
111 HD11 LEU 18 HD11 LEU 18 10.890 -3.998 11.439
112 HD12 LEU 18 HD12 LEU 18 11.581 -5.256 10.414
113 HD13 LEU 18 HD13 LEU 18 9.877 -4.828 10.258
114 HD21 LEU 18 HD21 LEU 18 10.513 -1.465 10.027
115 HD22 LEU 18 HD22 LEU 18 12.226 -1.502 9.611
116 HD23 LEU 18 HD23 LEU 18 11.673 -2.198 11.135
117 H CYS 19 HN CYS 19 13.909 -1.693 5.582
118 HA CYS 19 HA CYS 19 15.696 -2.376 4.188
119 HB2 CYS 19 HB2 CYS 19 16.305 -0.656 6.068
120 HB3 CYS 19 HB1 CYS 19 17.266 -1.988 6.702
121 H VAL 20 HN VAL 20 15.506 -4.558 3.715
122 HA VAL 20 HA VAL 20 17.104 -6.353 5.436
123 HB VAL 20 HB VAL 20 15.607 -8.173 4.374
124 HG11 VAL 20 HG11 VAL 20 13.794 -7.650 6.091
125 HG12 VAL 20 HG12 VAL 20 14.652 -6.142 6.409
126 HG13 VAL 20 HG13 VAL 20 15.442 -7.689 6.719
127 HG21 VAL 20 HG21 VAL 20 13.783 -5.773 4.050
128 HG22 VAL 20 HG22 VAL 20 13.437 -7.446 3.610
129 HG23 VAL 20 HG23 VAL 20 14.638 -6.525 2.703
130 H ARG 21 HN ARG 21 17.017 -4.778 2.523
131 HA ARG 21 HA ARG 21 17.591 -6.237 0.411
132 HB2 ARG 21 HB2 ARG 21 19.451 -4.752 -0.195
133 HB3 ARG 21 HB1 ARG 21 18.121 -3.832 0.515
134 HG2 ARG 21 HG2 ARG 21 19.258 -3.759 2.664
135 HG3 ARG 21 HG1 ARG 21 20.543 -4.805 2.059
136 HD2 ARG 21 HD2 ARG 21 21.284 -2.475 2.004
137 HD3 ARG 21 HD1 ARG 21 21.114 -3.087 0.361
138 HE ARG 21 HE ARG 21 18.705 -1.828 1.238
139 HH11 ARG 21 HH11 ARG 21 21.938 -1.240 0.156
140 HH12 ARG 21 HH12 ARG 21 21.574 0.308 -0.529
141 HH21 ARG 21 HH21 ARG 21 18.217 0.192 0.329
142 HH22 ARG 21 HH22 ARG 21 19.468 1.119 -0.432
Start of MODEL 20
1 H1 ALA 1 HT1 ALA 1 11.597 8.824 -2.491
2 H2 ALA 1 HT2 ALA 1 10.276 8.417 -1.503
3 H3 ALA 1 HT3 ALA 1 10.394 9.975 -2.168
4 HA ALA 1 HA ALA 1 9.774 7.432 -3.537
5 HB1 ALA 1 HB1 ALA 1 7.888 8.690 -2.619
6 HB2 ALA 1 HB2 ALA 1 7.869 8.799 -4.378
7 HB3 ALA 1 HB3 ALA 1 8.451 10.158 -3.418
8 H GLY 2 HN GLY 2 9.524 7.667 -5.906
9 HA2 GLY 2 HA2 GLY 2 10.089 8.612 -7.990
10 HA3 GLY 2 HA1 GLY 2 11.098 9.792 -7.157
11 H GLY 3 HN GLY 3 11.851 6.985 -5.706
12 HA2 GLY 3 HA2 GLY 3 13.264 5.157 -6.438
13 HA3 GLY 3 HA1 GLY 3 13.879 6.209 -7.709
14 H DBU 4 HN DHB 4 13.940 5.532 -4.252
15 HB DBU 4 HB DHB 4 17.676 6.605 -2.868
16 HG1 DBU 4 HG1 DHB 4 17.038 5.368 -5.614
17 HG2 DBU 4 HG2 DHB 4 18.269 4.746 -4.515
18 HG3 DBU 4 HG3 DHB 4 18.474 6.329 -5.265
19 H ILE 5 HN ILE 5 14.652 5.334 -1.600
20 HA ILE 5 HA ILE 5 14.730 6.925 0.514
21 HB ILE 5 HB ILE 5 13.038 8.234 -1.527
22 HG12 ILE 5 HG12 ILE 5 15.320 8.922 -0.328
23 HG13 ILE 5 HG11 ILE 5 14.122 10.130 -0.777
24 HG21 ILE 5 HG21 ILE 5 12.288 7.959 1.388
25 HG22 ILE 5 HG22 ILE 5 11.262 7.720 -0.031
26 HG23 ILE 5 HG23 ILE 5 11.769 9.346 0.428
27 HD11 ILE 5 HD11 ILE 5 15.142 10.030 1.693
28 HD12 ILE 5 HD12 ILE 5 13.856 8.844 1.907
29 HD13 ILE 5 HD13 ILE 5 13.463 10.489 1.412
30 HA PRO 6 HA PRO 6 10.335 4.814 0.394
31 HB2 PRO 6 HB2 PRO 6 10.699 3.036 -1.952
32 HB3 PRO 6 HB1 PRO 6 9.300 4.026 -1.494
33 HG2 PRO 6 HG2 PRO 6 10.857 4.702 -3.544
34 HG3 PRO 6 HG1 PRO 6 10.138 5.921 -2.476
35 HD2 PRO 6 HD2 PRO 6 12.960 4.897 -2.512
36 HD3 PRO 6 HD1 PRO 6 12.364 6.538 -2.269
37 H DAL 7 HN DAL 7 13.455 3.610 -0.035
38 HA DAL 7 HA DAL 7 12.991 0.872 0.674
39 HB1 DAL 7 HB2 DAL 7 14.491 1.861 2.886
40 HB2 DAL 7 HB3 DAL 7 12.959 0.996 2.905
41 H LEU 8 HN LEU 8 14.693 2.933 -0.958
42 HA LEU 8 HA LEU 8 16.955 1.272 -1.265
43 HB2 LEU 8 HB2 LEU 8 16.838 4.216 -1.946
44 HB3 LEU 8 HB1 LEU 8 17.786 2.957 -2.738
45 HG LEU 8 HG LEU 8 14.835 3.488 -2.893
46 HD11 LEU 8 HD11 LEU 8 17.160 3.265 -4.726
47 HD12 LEU 8 HD12 LEU 8 15.745 4.309 -4.822
48 HD13 LEU 8 HD13 LEU 8 15.632 2.628 -5.332
49 HD21 LEU 8 HD21 LEU 8 14.607 1.230 -2.401
50 HD22 LEU 8 HD22 LEU 8 16.213 0.828 -3.009
51 HD23 LEU 8 HD23 LEU 8 14.896 1.139 -4.139
52 H MET 9 HN MET 9 16.263 4.018 0.786
53 HA MET 9 HA MET 9 18.923 4.589 1.609
54 HB2 MET 9 HB2 MET 9 16.413 5.004 3.241
55 HB3 MET 9 HB1 MET 9 17.909 5.928 3.307
56 HG2 MET 9 HG2 MET 9 17.534 6.626 0.934
57 HG3 MET 9 HG1 MET 9 15.972 5.811 1.002
58 HE1 MET 9 HE1 MET 9 17.875 9.245 2.140
59 HE2 MET 9 HE2 MET 9 18.279 7.805 3.071
60 HE3 MET 9 HE3 MET 9 17.357 9.104 3.825
61 H DBB 10 HN DBB 10 16.380 2.462 2.849
62 HA DBB 10 HA DBB 10 18.376 1.187 4.624
63 HB2 DBB 10 HB2 DBB 10 17.283 -0.068 2.604
64 HG1 DBB 10 HG1 DBB 10 15.017 0.141 2.767
65 HG2 DBB 10 HG2 DBB 10 15.026 0.163 4.518
66 HG3 DBB 10 HG3 DBB 10 15.233 -1.344 3.664
67 H GLY 11 HN GLY 11 15.151 2.465 4.336
68 HA2 GLY 11 HA2 GLY 11 14.272 1.540 6.897
69 HA3 GLY 11 HA1 GLY 11 14.815 3.204 6.916
70 H CYS 12 HN CYS 12 12.534 0.975 5.402
71 HA CYS 12 HA CYS 12 10.479 3.029 5.341
72 HB2 CYS 12 HB2 CYS 12 10.938 1.718 2.728
73 HB3 CYS 12 HB1 CYS 12 10.248 3.298 3.069
74 H GLY 13 HN GLY 13 9.001 1.680 3.273
75 HA2 GLY 13 HA2 GLY 13 8.366 -0.901 4.573
76 HA3 GLY 13 HA1 GLY 13 7.116 0.224 4.063
77 H TRP 14 HN TRP 14 9.624 0.429 1.914
78 HA TRP 14 HA TRP 14 8.280 -0.388 -0.326
79 HB2 TRP 14 HB2 TRP 14 10.413 -0.526 -1.432
80 HB3 TRP 14 HB1 TRP 14 10.496 0.774 -0.274
81 HD1 TRP 14 HD1 TRP 14 10.737 -1.367 2.234
82 HE1 TRP 14 HE1 TRP 14 13.065 -2.373 2.694
83 HE3 TRP 14 HE3 TRP 14 12.961 -0.524 -2.275
84 HZ2 TRP 14 HZ2 TRP 14 15.546 -2.768 1.322
85 HZ3 TRP 14 HZ3 TRP 14 15.303 -1.223 -2.677
86 HH2 TRP 14 HH2 TRP 14 16.598 -2.344 -0.886
87 H LEU 15 HN LEU 15 9.394 -2.317 -1.737
88 HA LEU 15 HA LEU 15 8.212 -4.638 -1.318
89 HB2 LEU 15 HB2 LEU 15 10.302 -5.824 -2.177
90 HB3 LEU 15 HB1 LEU 15 9.694 -4.500 -3.172
91 HG LEU 15 HG LEU 15 11.783 -4.023 -1.052
92 HD11 LEU 15 HD11 LEU 15 12.391 -4.590 -3.957
93 HD12 LEU 15 HD12 LEU 15 12.476 -5.836 -2.712
94 HD13 LEU 15 HD13 LEU 15 13.530 -4.423 -2.621
95 HD21 LEU 15 HD21 LEU 15 12.183 -2.362 -3.258
96 HD22 LEU 15 HD22 LEU 15 11.363 -1.923 -1.769
97 HD23 LEU 15 HD23 LEU 15 10.429 -2.484 -3.144
98 H DBU 16 HN DHB 16 11.036 -3.572 0.551
99 HB DBU 16 HB DHB 16 12.390 -6.173 3.297
100 HG1 DBU 16 HG1 DHB 16 13.178 -5.780 0.433
101 HG2 DBU 16 HG2 DHB 16 12.333 -7.302 0.721
102 HG3 DBU 16 HG3 DHB 16 13.833 -6.949 1.581
103 H GLY 17 HN GLY 17 11.876 -3.020 3.547
104 HA2 GLY 17 HA2 GLY 17 10.064 -1.667 4.723
105 HA3 GLY 17 HA1 GLY 17 9.553 -3.224 5.366
106 H LEU 18 HN LEU 18 11.902 -4.443 5.994
107 HA LEU 18 HA LEU 18 12.832 -2.793 8.238
108 HB2 LEU 18 HB2 LEU 18 13.200 -5.742 7.655
109 HB3 LEU 18 HB1 LEU 18 13.774 -4.912 9.102
110 HG LEU 18 HG LEU 18 10.878 -5.044 8.215
111 HD11 LEU 18 HD11 LEU 18 11.272 -7.204 8.982
112 HD12 LEU 18 HD12 LEU 18 10.856 -6.392 10.493
113 HD13 LEU 18 HD13 LEU 18 12.547 -6.689 10.086
114 HD21 LEU 18 HD21 LEU 18 10.904 -3.147 9.520
115 HD22 LEU 18 HD22 LEU 18 12.369 -3.628 10.373
116 HD23 LEU 18 HD23 LEU 18 10.818 -4.342 10.815
117 H CYS 19 HN CYS 19 13.765 -3.482 5.125
118 HA CYS 19 HA CYS 19 15.700 -3.026 3.972
119 HB2 CYS 19 HB2 CYS 19 15.839 -1.143 5.729
120 HB3 CYS 19 HB1 CYS 19 16.978 -2.182 6.567
121 H VAL 20 HN VAL 20 16.068 -5.186 3.510
122 HA VAL 20 HA VAL 20 17.990 -6.557 5.287
123 HB VAL 20 HB VAL 20 17.203 -8.632 4.017
124 HG11 VAL 20 HG11 VAL 20 16.524 -8.031 6.342
125 HG12 VAL 20 HG12 VAL 20 15.250 -8.879 5.466
126 HG13 VAL 20 HG13 VAL 20 15.158 -7.130 5.682
127 HG21 VAL 20 HG21 VAL 20 16.135 -7.466 2.137
128 HG22 VAL 20 HG22 VAL 20 15.017 -6.668 3.246
129 HG23 VAL 20 HG23 VAL 20 14.934 -8.415 3.014
130 H ARG 21 HN ARG 21 17.836 -4.794 2.511
131 HA ARG 21 HA ARG 21 19.379 -6.294 0.676
132 HB2 ARG 21 HB2 ARG 21 18.095 -4.261 0.070
133 HB3 ARG 21 HB1 ARG 21 19.244 -3.281 0.985
134 HG2 ARG 21 HG2 ARG 21 21.079 -4.090 -0.457
135 HG3 ARG 21 HG1 ARG 21 19.926 -5.056 -1.379
136 HD2 ARG 21 HD2 ARG 21 20.300 -2.986 -2.578
137 HD3 ARG 21 HD1 ARG 21 18.673 -2.950 -1.906
138 HE ARG 21 HE ARG 21 20.479 -1.760 -0.076
139 HH11 ARG 21 HH11 ARG 21 18.975 -1.276 -3.154
140 HH12 ARG 21 HH12 ARG 21 18.995 0.452 -3.047
141 HH21 ARG 21 HH21 ARG 21 20.512 0.507 0.070
142 HH22 ARG 21 HH22 ARG 21 19.864 1.462 -1.222