Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623706 | 6beu RC | 30363 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 DCY 1 H1 DCY 1 28.540 20.950 7.530
2 HA DCY 1 HA DCY 1 31.420 21.490 7.230
3 HB2 DCY 1 HB1 DCY 1 29.680 19.060 7.720
4 HB3 DCY 1 HB2 DCY 1 31.400 19.050 8.000
5 H ASN 2 H ASN 2 32.760 21.500 8.840
6 HA ASN 2 HA ASN 2 31.840 21.520 11.660
7 HB2 ASN 2 HB2 ASN 2 34.440 20.850 10.370
8 HB3 ASN 2 HB1 ASN 2 34.150 20.810 12.200
9 HD21 ASN 2 1HD2 ASN 2 33.340 19.090 9.090
10 HD22 ASN 2 2HD2 ASN 2 32.680 17.780 9.980
11 H DVA 3 H DVA 3 31.240 23.640 9.950
12 HA DVA 3 HA DVA 3 32.380 25.710 11.670
13 HB DVA 3 HB DVA 3 30.690 27.280 10.580
14 HG11 DVA 3 1HG1 DVA 3 30.100 26.010 8.620
15 HG12 DVA 3 2HG1 DVA 3 28.690 26.220 9.710
16 HG13 DVA 3 3HG1 DVA 3 29.480 24.670 9.480
17 HG21 DVA 3 1HG2 DVA 3 28.980 26.500 12.030
18 HG22 DVA 3 2HG2 DVA 3 30.510 26.270 12.800
19 HG23 DVA 3 3HG2 DVA 3 29.700 24.820 12.140
20 HA DPR 4 HA DPR 4 35.230 26.980 8.740
21 HB2 DPR 4 HB1 DPR 4 35.610 29.590 8.900
22 HB3 DPR 4 HB2 DPR 4 36.080 28.470 10.230
23 HG2 DPR 4 HG1 DPR 4 33.530 30.050 10.060
24 HG3 DPR 4 HG2 DPR 4 34.630 29.860 11.510
25 HD2 DPR 4 HD1 DPR 4 32.320 28.430 11.110
26 HD3 DPR 4 HD2 DPR 4 33.840 27.770 11.900
27 H ASP 5 H ASP 5 35.230 27.660 6.590
28 HA ASP 5 HA ASP 5 33.360 29.400 5.220
29 HB2 ASP 5 HB2 ASP 5 35.410 30.790 4.500
30 HB3 ASP 5 HB1 ASP 5 34.540 31.060 5.990
31 H VAL 6 H VAL 6 33.710 26.620 4.820
32 HA VAL 6 HA VAL 6 34.780 26.780 2.080
33 HB VAL 6 HB VAL 6 35.860 24.510 2.470
34 HG11 VAL 6 1HG1 VAL 6 36.980 26.870 3.080
35 HG12 VAL 6 2HG1 VAL 6 37.750 25.200 3.230
36 HG13 VAL 6 3HG1 VAL 6 37.050 26.230 4.610
37 HG21 VAL 6 1HG2 VAL 6 35.250 24.650 5.410
38 HG22 VAL 6 2HG2 VAL 6 36.030 23.440 4.430
39 HG23 VAL 6 3HG2 VAL 6 34.330 23.640 4.200
40 H TYR 7 H TYR 7 34.570 24.720 0.980
41 HA TYR 7 HA TYR 7 31.810 24.030 0.620
42 HB2 TYR 7 HB2 TYR 7 34.110 22.330 -0.390
43 HB3 TYR 7 HB1 TYR 7 32.470 22.100 -0.650
44 HD1 TYR 7 HD1 TYR 7 31.340 23.500 -2.290
45 HD2 TYR 7 HD2 TYR 7 35.380 24.230 -1.140
46 HE1 TYR 7 HE1 TYR 7 31.670 24.690 -4.450
47 HE2 TYR 7 HE2 TYR 7 35.670 25.550 -3.330
48 HH TYR 7 HH TYR 7 34.720 26.490 -5.090
49 H CYS 8 H CYS 8 30.600 22.340 1.140
50 HA CYS 8 HA CYS 8 31.510 19.950 2.660
51 HB2 CYS 8 HB2 CYS 8 31.070 21.380 4.320
52 HB3 CYS 8 HB1 CYS 8 29.490 21.830 3.730
53 HA DPR 9 HA DPR 9 27.640 18.120 0.940
54 HB2 DPR 9 HB1 DPR 9 29.880 17.000 -0.860
55 HB3 DPR 9 HB2 DPR 9 28.300 16.250 -0.500
56 HG2 DPR 9 HG1 DPR 9 30.410 15.580 1.070
57 HG3 DPR 9 HG2 DPR 9 28.910 16.100 1.810
58 HD2 DPR 9 HD1 DPR 9 31.310 17.840 1.490
59 HD3 DPR 9 HD2 DPR 9 30.130 17.670 2.850
60 H DSG 10 H DAN 10 30.000 19.890 -1.040
61 HA DSG 10 HA DAN 10 28.390 19.770 -3.460
62 HB2 DSG 10 HB1 DAN 10 30.510 20.100 -4.570
63 HB3 DSG 10 HB2 DAN 10 30.400 18.710 -3.590
64 HD21 DSG 10 1HD2 DAN 10 32.700 20.930 -4.580
65 HD22 DSG 10 2HD2 DAN 10 33.570 21.130 -3.110
66 H LYS 11 H LYS 11 28.700 22.060 -0.980
67 HA LYS 11 HA LYS 11 29.380 24.140 -2.650
68 HB2 LYS 11 HB2 LYS 11 27.500 25.600 -2.240
69 HB3 LYS 11 HB1 LYS 11 27.020 23.960 -3.020
70 HG2 LYS 11 HG2 LYS 11 26.170 23.230 -0.880
71 HG3 LYS 11 HG1 LYS 11 26.810 24.620 -0.120
72 HD2 LYS 11 HD2 LYS 11 24.360 24.420 -2.000
73 HD3 LYS 11 HD1 LYS 11 24.440 24.880 -0.250
74 HE2 LYS 11 HE2 LYS 11 25.620 26.980 -0.870
75 HE3 LYS 11 HE1 LYS 11 25.640 26.420 -2.560
76 HZ1 LYS 11 HZ1 LYS 11 23.090 27.020 -1.180
77 HZ2 LYS 11 HZ2 LYS 11 23.400 26.690 -2.750
78 HZ3 LYS 11 HZ3 LYS 11 23.960 28.030 -2.140
79 H TYR 12 H TYR 12 29.630 26.300 -1.400
80 HA TYR 12 HA TYR 12 31.050 25.970 1.060
81 HB2 TYR 12 HB2 TYR 12 29.900 28.300 -0.450
82 HB3 TYR 12 HB1 TYR 12 30.410 28.530 1.190
83 HD1 TYR 12 HD1 TYR 12 32.160 26.890 -1.690
84 HD2 TYR 12 HD2 TYR 12 32.180 29.610 1.580
85 HE1 TYR 12 HE1 TYR 12 34.500 27.570 -2.200
86 HE2 TYR 12 HE2 TYR 12 34.680 30.010 1.360
87 HH TYR 12 HH TYR 12 36.530 29.430 0.060
88 H DVA 13 H DVA 13 30.590 26.180 3.000
89 HA DVA 13 HA DVA 13 27.820 26.510 3.830
90 HB DVA 13 HB DVA 13 28.540 27.360 6.000
91 HG11 DVA 13 1HG1 DVA 13 31.210 27.500 4.800
92 HG12 DVA 13 2HG1 DVA 13 30.860 26.330 6.240
93 HG13 DVA 13 3HG1 DVA 13 30.760 28.070 6.480
94 HG21 DVA 13 1HG2 DVA 13 29.600 28.950 3.780
95 HG22 DVA 13 2HG2 DVA 13 29.100 29.480 5.350
96 HG23 DVA 13 3HG2 DVA 13 27.850 28.720 4.280
97 HA DPR 14 HA DPR 14 27.500 22.560 5.600
98 HB2 DPR 14 HB1 DPR 14 27.170 23.590 8.370
99 HB3 DPR 14 HB2 DPR 14 26.270 22.340 7.430
100 HG2 DPR 14 HG1 DPR 14 25.410 24.940 7.750
101 HG3 DPR 14 HG2 DPR 14 25.140 23.980 6.260
102 HD2 DPR 14 HD1 DPR 14 27.230 26.080 6.990
103 HD3 DPR 14 HD2 DPR 14 26.210 25.920 5.460
Start of MODEL 2
1 H1 DCY 1 H1 DCY 1 28.887 20.893 6.337
2 HA DCY 1 HA DCY 1 31.352 21.059 6.992
3 HB2 DCY 1 HB1 DCY 1 29.673 18.695 7.444
4 HB3 DCY 1 HB2 DCY 1 31.113 18.628 8.355
5 H ASN 2 H ASN 2 32.486 22.087 8.873
6 HA ASN 2 HA ASN 2 31.289 21.814 11.506
7 HB2 ASN 2 HB2 ASN 2 34.173 21.310 10.517
8 HB3 ASN 2 HB1 ASN 2 33.751 21.405 12.254
9 HD21 ASN 2 1HD2 ASN 2 34.363 19.331 9.628
10 HD22 ASN 2 2HD2 ASN 2 33.337 17.969 10.119
11 H DVA 3 H DVA 3 31.126 24.002 9.810
12 HA DVA 3 HA DVA 3 32.420 25.957 11.564
13 HB DVA 3 HB DVA 3 30.963 27.745 10.509
14 HG11 DVA 3 1HG1 DVA 3 29.025 25.530 10.027
15 HG12 DVA 3 2HG1 DVA 3 29.965 26.510 8.774
16 HG13 DVA 3 3HG1 DVA 3 28.825 27.325 9.825
17 HG21 DVA 3 1HG2 DVA 3 29.104 27.443 12.117
18 HG22 DVA 3 2HG2 DVA 3 30.634 27.066 12.836
19 HG23 DVA 3 3HG2 DVA 3 29.567 25.716 12.377
20 HA DPR 4 HA DPR 4 35.275 26.892 8.731
21 HB2 DPR 4 HB1 DPR 4 35.291 29.788 9.058
22 HB3 DPR 4 HB2 DPR 4 36.521 28.638 9.296
23 HG2 DPR 4 HG1 DPR 4 35.050 29.777 11.337
24 HG3 DPR 4 HG2 DPR 4 35.793 28.088 11.451
25 HD2 DPR 4 HD1 DPR 4 32.983 29.102 10.775
26 HD3 DPR 4 HD2 DPR 4 33.553 27.627 11.812
27 H ASP 5 H ASP 5 35.893 27.705 6.591
28 HA ASP 5 HA ASP 5 33.780 29.289 5.271
29 HB2 ASP 5 HB2 ASP 5 35.741 30.747 4.359
30 HB3 ASP 5 HB1 ASP 5 34.816 31.023 5.827
31 H VAL 6 H VAL 6 34.099 26.667 4.749
32 HA VAL 6 HA VAL 6 34.944 26.833 1.962
33 HB VAL 6 HB VAL 6 35.960 24.528 2.035
34 HG11 VAL 6 1HG1 VAL 6 38.001 25.100 3.245
35 HG12 VAL 6 2HG1 VAL 6 37.202 26.570 3.920
36 HG13 VAL 6 3HG1 VAL 6 37.501 26.357 2.137
37 HG21 VAL 6 1HG2 VAL 6 36.266 23.312 3.911
38 HG22 VAL 6 2HG2 VAL 6 34.612 24.088 4.166
39 HG23 VAL 6 3HG2 VAL 6 35.999 24.746 5.032
40 H TYR 7 H TYR 7 34.297 24.872 0.610
41 HA TYR 7 HA TYR 7 31.628 24.078 0.650
42 HB2 TYR 7 HB2 TYR 7 34.269 22.800 -0.289
43 HB3 TYR 7 HB1 TYR 7 32.766 22.075 -0.607
44 HD1 TYR 7 HD1 TYR 7 31.172 23.669 -1.960
45 HD2 TYR 7 HD2 TYR 7 35.404 24.270 -1.713
46 HE1 TYR 7 HE1 TYR 7 31.056 24.966 -4.104
47 HE2 TYR 7 HE2 TYR 7 35.352 25.209 -4.024
48 HH TYR 7 HH TYR 7 34.213 25.445 -5.848
49 H CYS 8 H CYS 8 30.429 22.672 1.758
50 HA CYS 8 HA CYS 8 31.790 20.176 1.963
51 HB2 CYS 8 HB2 CYS 8 31.947 20.707 4.222
52 HB3 CYS 8 HB1 CYS 8 30.335 21.392 4.269
53 HA DPR 9 HA DPR 9 27.536 18.816 0.906
54 HB2 DPR 9 HB1 DPR 9 28.230 16.872 -0.914
55 HB3 DPR 9 HB2 DPR 9 28.192 16.556 0.887
56 HG2 DPR 9 HG1 DPR 9 30.625 17.150 -0.716
57 HG3 DPR 9 HG2 DPR 9 30.283 15.853 0.481
58 HD2 DPR 9 HD1 DPR 9 31.577 18.136 1.267
59 HD3 DPR 9 HD2 DPR 9 30.240 17.513 2.278
60 H DSG 10 H DAN 10 30.403 19.504 -1.099
61 HA DSG 10 HA DAN 10 28.867 19.989 -3.516
62 HB2 DSG 10 HB1 DAN 10 31.022 20.534 -4.499
63 HB3 DSG 10 HB2 DAN 10 30.893 18.965 -3.806
64 HD21 DSG 10 1HD2 DAN 10 33.100 21.514 -4.198
65 HD22 DSG 10 2HD2 DAN 10 34.047 21.137 -2.812
66 H LYS 11 H LYS 11 28.774 21.842 -0.950
67 HA LYS 11 HA LYS 11 28.699 24.466 -2.388
68 HB2 LYS 11 HB2 LYS 11 26.504 23.383 -2.605
69 HB3 LYS 11 HB1 LYS 11 26.497 23.198 -0.730
70 HG2 LYS 11 HG2 LYS 11 26.382 25.598 -0.601
71 HG3 LYS 11 HG1 LYS 11 26.529 25.687 -2.395
72 HD2 LYS 11 HD2 LYS 11 24.216 25.973 -1.438
73 HD3 LYS 11 HD1 LYS 11 24.295 24.557 -2.532
74 HE2 LYS 11 HE2 LYS 11 24.403 23.011 -0.751
75 HE3 LYS 11 HE1 LYS 11 24.564 24.276 0.469
76 HZ1 LYS 11 HZ1 LYS 11 22.216 23.739 0.371
77 HZ2 LYS 11 HZ2 LYS 11 22.236 24.184 -1.215
78 HZ3 LYS 11 HZ3 LYS 11 22.459 25.275 -0.199
79 H TYR 12 H TYR 12 28.907 26.306 -1.201
80 HA TYR 12 HA TYR 12 30.748 26.009 0.841
81 HB2 TYR 12 HB2 TYR 12 29.636 28.181 -0.772
82 HB3 TYR 12 HB1 TYR 12 29.700 28.655 0.911
83 HD1 TYR 12 HD1 TYR 12 31.712 26.530 -1.487
84 HD2 TYR 12 HD2 TYR 12 31.596 29.789 1.298
85 HE1 TYR 12 HE1 TYR 12 34.176 26.893 -1.817
86 HE2 TYR 12 HE2 TYR 12 34.097 30.182 0.949
87 HH TYR 12 HH TYR 12 35.865 29.580 -0.355
88 H DVA 13 H DVA 13 30.508 25.699 3.029
89 HA DVA 13 HA DVA 13 27.937 26.427 4.349
90 HB DVA 13 HB DVA 13 29.203 27.082 6.421
91 HG11 DVA 13 1HG1 DVA 13 31.260 25.425 5.601
92 HG12 DVA 13 2HG1 DVA 13 31.516 26.818 6.505
93 HG13 DVA 13 3HG1 DVA 13 31.683 26.965 4.739
94 HG21 DVA 13 1HG2 DVA 13 29.833 28.993 5.753
95 HG22 DVA 13 2HG2 DVA 13 28.616 28.648 4.667
96 HG23 DVA 13 3HG2 DVA 13 30.274 28.556 3.989
97 HA DPR 14 HA DPR 14 27.841 22.371 5.399
98 HB2 DPR 14 HB1 DPR 14 26.416 22.250 7.791
99 HB3 DPR 14 HB2 DPR 14 25.719 22.795 6.160
100 HG2 DPR 14 HG1 DPR 14 26.824 24.496 8.486
101 HG3 DPR 14 HG2 DPR 14 25.213 24.592 7.626
102 HD2 DPR 14 HD1 DPR 14 27.467 26.052 7.016
103 HD3 DPR 14 HD2 DPR 14 26.228 25.533 5.833
Start of MODEL 3
1 H1 DCY 1 H1 DCY 1 28.824 20.980 7.188
2 HA DCY 1 HA DCY 1 31.771 21.171 7.296
3 HB2 DCY 1 HB1 DCY 1 30.130 18.716 7.935
4 HB3 DCY 1 HB2 DCY 1 31.712 18.889 8.180
5 H ASN 2 H ASN 2 32.715 21.253 9.334
6 HA ASN 2 HA ASN 2 30.927 21.401 11.625
7 HB2 ASN 2 HB2 ASN 2 33.847 20.871 11.549
8 HB3 ASN 2 HB1 ASN 2 33.046 21.381 12.993
9 HD21 ASN 2 1HD2 ASN 2 33.528 18.755 10.794
10 HD22 ASN 2 2HD2 ASN 2 32.335 17.660 11.409
11 H DVA 3 H DVA 3 31.287 23.687 9.571
12 HA DVA 3 HA DVA 3 32.319 25.697 11.470
13 HB DVA 3 HB DVA 3 30.765 27.257 10.488
14 HG11 DVA 3 1HG1 DVA 3 29.841 25.800 8.581
15 HG12 DVA 3 2HG1 DVA 3 28.516 26.208 9.810
16 HG13 DVA 3 3HG1 DVA 3 29.234 24.685 9.780
17 HG21 DVA 3 1HG2 DVA 3 29.772 25.209 12.224
18 HG22 DVA 3 2HG2 DVA 3 29.135 26.903 12.091
19 HG23 DVA 3 3HG2 DVA 3 30.780 26.623 12.705
20 HA DPR 4 HA DPR 4 35.007 27.042 8.634
21 HB2 DPR 4 HB1 DPR 4 35.527 29.737 9.417
22 HB3 DPR 4 HB2 DPR 4 36.163 28.205 10.163
23 HG2 DPR 4 HG1 DPR 4 33.743 29.959 10.729
24 HG3 DPR 4 HG2 DPR 4 34.829 29.225 11.966
25 HD2 DPR 4 HD1 DPR 4 32.495 28.095 11.506
26 HD3 DPR 4 HD2 DPR 4 33.990 27.053 11.682
27 H ASP 5 H ASP 5 35.161 27.705 6.533
28 HA ASP 5 HA ASP 5 33.196 28.969 5.099
29 HB2 ASP 5 HB2 ASP 5 34.286 31.092 4.433
30 HB3 ASP 5 HB1 ASP 5 33.610 30.957 6.012
31 H VAL 6 H VAL 6 34.053 26.681 4.562
32 HA VAL 6 HA VAL 6 34.923 27.181 1.961
33 HB VAL 6 HB VAL 6 36.371 25.250 1.726
34 HG11 VAL 6 1HG1 VAL 6 38.382 26.071 2.784
35 HG12 VAL 6 2HG1 VAL 6 37.482 27.364 3.623
36 HG13 VAL 6 3HG1 VAL 6 37.494 27.315 1.878
37 HG21 VAL 6 1HG2 VAL 6 37.311 24.195 3.582
38 HG22 VAL 6 2HG2 VAL 6 35.568 24.012 3.856
39 HG23 VAL 6 3HG2 VAL 6 36.520 25.186 4.810
40 H TYR 7 H TYR 7 34.963 24.384 1.300
41 HA TYR 7 HA TYR 7 32.141 24.229 0.705
42 HB2 TYR 7 HB2 TYR 7 34.481 22.506 -0.372
43 HB3 TYR 7 HB1 TYR 7 32.938 22.064 -0.498
44 HD1 TYR 7 HD1 TYR 7 31.304 23.205 -1.884
45 HD2 TYR 7 HD2 TYR 7 35.310 24.531 -1.610
46 HE1 TYR 7 HE1 TYR 7 30.998 24.417 -4.016
47 HE2 TYR 7 HE2 TYR 7 35.088 25.775 -3.823
48 HH TYR 7 HH TYR 7 33.654 26.366 -5.476
49 H CYS 8 H CYS 8 30.749 22.551 1.314
50 HA CYS 8 HA CYS 8 31.780 20.003 2.160
51 HB2 CYS 8 HB2 CYS 8 31.530 21.255 4.454
52 HB3 CYS 8 HB1 CYS 8 29.844 21.534 3.890
53 HA DPR 9 HA DPR 9 27.552 18.823 1.328
54 HB2 DPR 9 HB1 DPR 9 28.029 16.639 -0.316
55 HB3 DPR 9 HB2 DPR 9 28.326 16.555 1.417
56 HG2 DPR 9 HG1 DPR 9 30.254 17.042 -0.800
57 HG3 DPR 9 HG2 DPR 9 30.460 15.987 0.713
58 HD2 DPR 9 HD1 DPR 9 31.525 18.512 0.441
59 HD3 DPR 9 HD2 DPR 9 30.881 17.806 1.918
60 H DSG 10 H DAN 10 29.729 19.776 -1.038
61 HA DSG 10 HA DAN 10 27.935 19.760 -3.262
62 HB2 DSG 10 HB1 DAN 10 29.832 19.832 -4.631
63 HB3 DSG 10 HB2 DAN 10 30.163 18.624 -3.279
64 HD21 DSG 10 1HD2 DAN 10 31.423 21.169 -4.830
65 HD22 DSG 10 2HD2 DAN 10 32.858 21.399 -3.713
66 H LYS 11 H LYS 11 28.916 21.934 -1.048
67 HA LYS 11 HA LYS 11 28.691 24.317 -2.697
68 HB2 LYS 11 HB2 LYS 11 26.613 23.655 -0.583
69 HB3 LYS 11 HB1 LYS 11 26.926 25.294 -1.135
70 HG2 LYS 11 HG2 LYS 11 26.345 24.607 -3.450
71 HG3 LYS 11 HG1 LYS 11 25.813 23.019 -2.797
72 HD2 LYS 11 HD2 LYS 11 24.307 24.002 -1.197
73 HD3 LYS 11 HD1 LYS 11 24.605 25.644 -1.715
74 HE2 LYS 11 HE2 LYS 11 24.034 25.203 -3.985
75 HE3 LYS 11 HE1 LYS 11 23.509 23.499 -3.711
76 HZ1 LYS 11 HZ1 LYS 11 22.424 25.820 -2.333
77 HZ2 LYS 11 HZ2 LYS 11 21.983 24.202 -2.144
78 HZ3 LYS 11 HZ3 LYS 11 21.602 24.924 -3.422
79 H TYR 12 H TYR 12 28.932 26.533 -1.182
80 HA TYR 12 HA TYR 12 31.011 26.042 0.820
81 HB2 TYR 12 HB2 TYR 12 30.046 28.112 -0.947
82 HB3 TYR 12 HB1 TYR 12 29.892 28.593 0.743
83 HD1 TYR 12 HD1 TYR 12 32.348 26.494 -1.122
84 HD2 TYR 12 HD2 TYR 12 31.752 29.858 1.467
85 HE1 TYR 12 HE1 TYR 12 34.745 27.138 -1.314
86 HE2 TYR 12 HE2 TYR 12 34.030 30.589 1.253
87 HH TYR 12 HH TYR 12 36.148 30.013 0.302
88 H DVA 13 H DVA 13 30.792 26.308 2.806
89 HA DVA 13 HA DVA 13 28.196 26.472 4.114
90 HB DVA 13 HB DVA 13 29.103 27.149 6.210
91 HG11 DVA 13 1HG1 DVA 13 31.233 25.952 6.051
92 HG12 DVA 13 2HG1 DVA 13 31.356 27.496 6.723
93 HG13 DVA 13 3HG1 DVA 13 31.848 27.187 4.974
94 HG21 DVA 13 1HG2 DVA 13 28.538 28.984 4.759
95 HG22 DVA 13 2HG2 DVA 13 30.147 28.870 3.999
96 HG23 DVA 13 3HG2 DVA 13 30.011 29.387 5.644
97 HA DPR 14 HA DPR 14 28.134 22.234 5.247
98 HB2 DPR 14 HB1 DPR 14 27.267 23.174 7.964
99 HB3 DPR 14 HB2 DPR 14 26.443 22.033 6.857
100 HG2 DPR 14 HG1 DPR 14 25.539 24.521 7.052
101 HG3 DPR 14 HG2 DPR 14 25.585 23.636 5.425
102 HD2 DPR 14 HD1 DPR 14 27.342 25.789 6.524
103 HD3 DPR 14 HD2 DPR 14 26.784 25.634 4.957
Start of MODEL 4
1 H1 DCY 1 H1 DCY 1 28.830 20.812 6.686
2 HA DCY 1 HA DCY 1 31.331 21.528 7.709
3 HB2 DCY 1 HB1 DCY 1 29.818 18.923 7.669
4 HB3 DCY 1 HB2 DCY 1 31.531 19.139 8.199
5 H ASN 2 H ASN 2 32.434 21.420 9.563
6 HA ASN 2 HA ASN 2 30.737 21.579 11.898
7 HB2 ASN 2 HB2 ASN 2 33.669 20.888 11.586
8 HB3 ASN 2 HB1 ASN 2 32.916 21.067 13.195
9 HD21 ASN 2 1HD2 ASN 2 34.282 18.879 12.029
10 HD22 ASN 2 2HD2 ASN 2 33.083 17.632 11.645
11 H DVA 3 H DVA 3 31.351 23.710 9.809
12 HA DVA 3 HA DVA 3 32.308 25.783 11.718
13 HB DVA 3 HB DVA 3 31.037 27.409 10.511
14 HG11 DVA 3 1HG1 DVA 3 29.215 25.119 9.761
15 HG12 DVA 3 2HG1 DVA 3 30.104 26.261 8.688
16 HG13 DVA 3 3HG1 DVA 3 28.729 26.776 9.817
17 HG21 DVA 3 1HG2 DVA 3 30.515 26.444 12.869
18 HG22 DVA 3 2HG2 DVA 3 29.569 25.272 12.264
19 HG23 DVA 3 3HG2 DVA 3 28.971 26.955 12.127
20 HA DPR 4 HA DPR 4 35.311 26.880 8.447
21 HB2 DPR 4 HB1 DPR 4 35.460 29.517 9.036
22 HB3 DPR 4 HB2 DPR 4 36.482 28.155 9.756
23 HG2 DPR 4 HG1 DPR 4 34.212 29.718 10.953
24 HG3 DPR 4 HG2 DPR 4 35.578 28.923 11.798
25 HD2 DPR 4 HD1 DPR 4 33.007 28.209 11.464
26 HD3 DPR 4 HD2 DPR 4 34.245 27.056 11.993
27 H ASP 5 H ASP 5 35.341 27.527 6.429
28 HA ASP 5 HA ASP 5 33.237 29.384 5.462
29 HB2 ASP 5 HB2 ASP 5 34.998 30.877 4.522
30 HB3 ASP 5 HB1 ASP 5 34.891 30.794 6.292
31 H VAL 6 H VAL 6 34.499 26.585 4.728
32 HA VAL 6 HA VAL 6 34.583 27.255 1.839
33 HB VAL 6 HB VAL 6 36.043 25.421 1.394
34 HG11 VAL 6 1HG1 VAL 6 38.052 26.466 2.140
35 HG12 VAL 6 2HG1 VAL 6 37.019 27.433 3.270
36 HG13 VAL 6 3HG1 VAL 6 36.888 27.660 1.525
37 HG21 VAL 6 1HG2 VAL 6 36.397 25.194 4.404
38 HG22 VAL 6 2HG2 VAL 6 37.358 24.409 3.099
39 HG23 VAL 6 3HG2 VAL 6 35.774 23.936 3.378
40 H TYR 7 H TYR 7 34.457 24.827 0.772
41 HA TYR 7 HA TYR 7 31.762 24.109 0.685
42 HB2 TYR 7 HB2 TYR 7 32.580 22.463 -1.044
43 HB3 TYR 7 HB1 TYR 7 32.986 24.085 -1.245
44 HD1 TYR 7 HD1 TYR 7 35.169 24.803 -1.213
45 HD2 TYR 7 HD2 TYR 7 34.303 20.770 -0.113
46 HE1 TYR 7 HE1 TYR 7 37.613 24.215 -1.566
47 HE2 TYR 7 HE2 TYR 7 36.673 20.057 -0.614
48 HH TYR 7 HH TYR 7 38.797 20.918 -0.760
49 H CYS 8 H CYS 8 30.605 22.684 1.416
50 HA CYS 8 HA CYS 8 31.544 19.976 2.451
51 HB2 CYS 8 HB2 CYS 8 30.955 21.672 4.366
52 HB3 CYS 8 HB1 CYS 8 29.367 21.755 3.530
53 HA DPR 9 HA DPR 9 27.735 18.310 1.137
54 HB2 DPR 9 HB1 DPR 9 29.530 16.790 -0.789
55 HB3 DPR 9 HB2 DPR 9 28.037 16.301 -0.085
56 HG2 DPR 9 HG1 DPR 9 30.401 15.561 1.005
57 HG3 DPR 9 HG2 DPR 9 29.037 16.132 2.000
58 HD2 DPR 9 HD1 DPR 9 31.461 17.782 1.299
59 HD3 DPR 9 HD2 DPR 9 30.503 17.746 2.768
60 H DSG 10 H DAN 10 30.113 19.628 -1.039
61 HA DSG 10 HA DAN 10 28.264 20.023 -3.198
62 HB2 DSG 10 HB1 DAN 10 30.171 20.242 -4.650
63 HB3 DSG 10 HB2 DAN 10 30.362 18.768 -3.766
64 HD21 DSG 10 1HD2 DAN 10 32.398 20.734 -5.095
65 HD22 DSG 10 2HD2 DAN 10 33.424 21.038 -3.665
66 H LYS 11 H LYS 11 28.116 21.834 -1.017
67 HA LYS 11 HA LYS 11 28.084 24.494 -2.329
68 HB2 LYS 11 HB2 LYS 11 26.442 23.215 -0.192
69 HB3 LYS 11 HB1 LYS 11 26.530 24.964 -0.416
70 HG2 LYS 11 HG2 LYS 11 25.907 23.014 -2.622
71 HG3 LYS 11 HG1 LYS 11 24.631 23.847 -1.718
72 HD2 LYS 11 HD2 LYS 11 25.526 25.985 -2.628
73 HD3 LYS 11 HD1 LYS 11 26.642 25.047 -3.555
74 HE2 LYS 11 HE2 LYS 11 25.045 25.267 -5.125
75 HE3 LYS 11 HE1 LYS 11 24.446 23.767 -4.434
76 HZ1 LYS 11 HZ1 LYS 11 23.347 26.449 -4.105
77 HZ2 LYS 11 HZ2 LYS 11 22.931 25.261 -3.013
78 HZ3 LYS 11 HZ3 LYS 11 22.575 25.078 -4.550
79 H TYR 12 H TYR 12 28.755 26.283 -1.089
80 HA TYR 12 HA TYR 12 30.913 25.867 0.958
81 HB2 TYR 12 HB2 TYR 12 29.887 28.223 -0.601
82 HB3 TYR 12 HB1 TYR 12 30.749 28.480 0.944
83 HD1 TYR 12 HD1 TYR 12 31.314 26.331 -1.965
84 HD2 TYR 12 HD2 TYR 12 32.854 29.130 0.763
85 HE1 TYR 12 HE1 TYR 12 33.536 26.190 -3.180
86 HE2 TYR 12 HE2 TYR 12 35.116 29.022 -0.324
87 HH TYR 12 HH TYR 12 36.270 28.204 -1.980
88 H DVA 13 H DVA 13 30.447 25.762 2.863
89 HA DVA 13 HA DVA 13 27.843 26.612 3.905
90 HB DVA 13 HB DVA 13 28.740 27.499 5.960
91 HG11 DVA 13 1HG1 DVA 13 31.139 26.534 5.885
92 HG12 DVA 13 2HG1 DVA 13 30.912 28.186 6.352
93 HG13 DVA 13 3HG1 DVA 13 31.530 27.722 4.745
94 HG21 DVA 13 1HG2 DVA 13 29.635 29.025 3.517
95 HG22 DVA 13 2HG2 DVA 13 29.308 29.667 5.122
96 HG23 DVA 13 3HG2 DVA 13 28.001 28.922 4.156
97 HA DPR 14 HA DPR 14 27.781 22.594 5.369
98 HB2 DPR 14 HB1 DPR 14 27.117 23.527 8.121
99 HB3 DPR 14 HB2 DPR 14 26.175 22.386 7.150
100 HG2 DPR 14 HG1 DPR 14 25.304 24.805 7.391
101 HG3 DPR 14 HG2 DPR 14 25.338 24.021 5.731
102 HD2 DPR 14 HD1 DPR 14 27.118 26.206 6.708
103 HD3 DPR 14 HD2 DPR 14 26.474 25.861 5.154
Start of MODEL 5
1 H1 DCY 1 H1 DCY 1 28.568 21.045 7.350
2 HA DCY 1 HA DCY 1 31.536 21.394 7.245
3 HB2 DCY 1 HB1 DCY 1 29.826 18.946 7.627
4 HB3 DCY 1 HB2 DCY 1 31.550 19.029 8.053
5 H ASN 2 H ASN 2 32.755 21.418 9.326
6 HA ASN 2 HA ASN 2 31.152 21.376 11.781
7 HB2 ASN 2 HB2 ASN 2 34.137 21.209 11.207
8 HB3 ASN 2 HB1 ASN 2 33.379 21.027 12.796
9 HD21 ASN 2 1HD2 ASN 2 33.949 19.260 9.683
10 HD22 ASN 2 2HD2 ASN 2 33.215 17.792 10.168
11 H DVA 3 H DVA 3 31.394 23.709 9.759
12 HA DVA 3 HA DVA 3 32.490 25.647 11.769
13 HB DVA 3 HB DVA 3 31.095 27.414 10.908
14 HG11 DVA 3 1HG1 DVA 3 30.733 26.385 8.592
15 HG12 DVA 3 2HG1 DVA 3 29.423 27.158 9.332
16 HG13 DVA 3 3HG1 DVA 3 29.436 25.422 9.381
17 HG21 DVA 3 1HG2 DVA 3 30.720 25.882 12.895
18 HG22 DVA 3 2HG2 DVA 3 29.591 25.072 11.926
19 HG23 DVA 3 3HG2 DVA 3 29.240 26.745 12.235
20 HA DPR 4 HA DPR 4 35.357 26.543 8.299
21 HB2 DPR 4 HB1 DPR 4 36.298 28.912 8.900
22 HB3 DPR 4 HB2 DPR 4 36.666 27.473 9.861
23 HG2 DPR 4 HG1 DPR 4 34.678 29.636 10.680
24 HG3 DPR 4 HG2 DPR 4 35.880 28.738 11.659
25 HD2 DPR 4 HD1 DPR 4 33.235 28.221 11.426
26 HD3 DPR 4 HD2 DPR 4 34.502 26.978 11.880
27 H ASP 5 H ASP 5 35.360 27.670 6.495
28 HA ASP 5 HA ASP 5 33.342 29.722 5.687
29 HB2 ASP 5 HB2 ASP 5 34.876 31.228 4.757
30 HB3 ASP 5 HB1 ASP 5 35.062 31.007 6.429
31 H VAL 6 H VAL 6 34.749 26.774 5.072
32 HA VAL 6 HA VAL 6 34.976 27.085 2.160
33 HB VAL 6 HB VAL 6 35.814 24.726 2.254
34 HG11 VAL 6 1HG1 VAL 6 37.286 26.574 1.955
35 HG12 VAL 6 2HG1 VAL 6 38.042 25.447 3.078
36 HG13 VAL 6 3HG1 VAL 6 37.352 26.898 3.718
37 HG21 VAL 6 1HG2 VAL 6 35.828 25.022 5.189
38 HG22 VAL 6 2HG2 VAL 6 36.350 23.564 4.173
39 HG23 VAL 6 3HG2 VAL 6 34.708 24.019 4.250
40 H TYR 7 H TYR 7 34.529 24.612 1.124
41 HA TYR 7 HA TYR 7 31.666 24.280 1.121
42 HB2 TYR 7 HB2 TYR 7 32.339 22.652 -0.716
43 HB3 TYR 7 HB1 TYR 7 32.612 24.313 -1.102
44 HD1 TYR 7 HD1 TYR 7 34.865 25.375 -0.882
45 HD2 TYR 7 HD2 TYR 7 34.306 21.092 -1.013
46 HE1 TYR 7 HE1 TYR 7 37.262 25.125 -1.238
47 HE2 TYR 7 HE2 TYR 7 36.718 20.887 -1.501
48 HH TYR 7 HH TYR 7 38.628 21.828 -1.562
49 H CYS 8 H CYS 8 30.545 22.568 1.518
50 HA CYS 8 HA CYS 8 31.727 20.045 2.302
51 HB2 CYS 8 HB2 CYS 8 31.048 21.380 4.511
52 HB3 CYS 8 HB1 CYS 8 29.485 21.710 3.730
53 HA DPR 9 HA DPR 9 27.790 18.644 1.175
54 HB2 DPR 9 HB1 DPR 9 28.534 16.776 -0.815
55 HB3 DPR 9 HB2 DPR 9 28.156 16.398 0.869
56 HG2 DPR 9 HG1 DPR 9 30.843 16.829 -0.520
57 HG3 DPR 9 HG2 DPR 9 30.527 15.886 0.894
58 HD2 DPR 9 HD1 DPR 9 31.670 18.373 0.913
59 HD3 DPR 9 HD2 DPR 9 30.707 17.647 2.355
60 H DSG 10 H DAN 10 30.160 19.451 -1.222
61 HA DSG 10 HA DAN 10 28.395 19.689 -3.579
62 HB2 DSG 10 HB1 DAN 10 30.443 20.117 -4.629
63 HB3 DSG 10 HB2 DAN 10 30.709 18.671 -3.603
64 HD21 DSG 10 1HD2 DAN 10 32.197 21.430 -4.473
65 HD22 DSG 10 2HD2 DAN 10 33.170 21.791 -2.995
66 H LYS 11 H LYS 11 28.733 21.673 -1.006
67 HA LYS 11 HA LYS 11 28.570 24.094 -2.584
68 HB2 LYS 11 HB2 LYS 11 26.486 22.828 -0.721
69 HB3 LYS 11 HB1 LYS 11 26.568 24.542 -0.859
70 HG2 LYS 11 HG2 LYS 11 26.138 24.490 -3.188
71 HG3 LYS 11 HG1 LYS 11 26.508 22.798 -3.299
72 HD2 LYS 11 HD2 LYS 11 24.560 22.117 -2.309
73 HD3 LYS 11 HD1 LYS 11 24.227 23.529 -1.456
74 HE2 LYS 11 HE2 LYS 11 24.091 23.755 -4.465
75 HE3 LYS 11 HE1 LYS 11 22.821 22.927 -3.606
76 HZ1 LYS 11 HZ1 LYS 11 23.437 25.762 -2.884
77 HZ2 LYS 11 HZ2 LYS 11 22.388 24.761 -2.297
78 HZ3 LYS 11 HZ3 LYS 11 22.261 25.176 -3.911
79 H TYR 12 H TYR 12 28.713 26.171 -1.468
80 HA TYR 12 HA TYR 12 30.742 26.007 0.613
81 HB2 TYR 12 HB2 TYR 12 29.767 28.127 -1.279
82 HB3 TYR 12 HB1 TYR 12 30.103 28.644 0.240
83 HD1 TYR 12 HD1 TYR 12 31.740 26.609 -2.488
84 HD2 TYR 12 HD2 TYR 12 32.187 29.054 1.018
85 HE1 TYR 12 HE1 TYR 12 34.226 26.849 -2.923
86 HE2 TYR 12 HE2 TYR 12 34.683 28.977 0.737
87 HH TYR 12 HH TYR 12 36.388 28.549 -0.795
88 H DVA 13 H DVA 13 30.572 26.337 2.607
89 HA DVA 13 HA DVA 13 27.945 26.613 3.746
90 HB DVA 13 HB DVA 13 28.946 27.390 5.862
91 HG11 DVA 13 1HG1 DVA 13 31.322 26.466 5.356
92 HG12 DVA 13 2HG1 DVA 13 31.017 27.890 6.388
93 HG13 DVA 13 3HG1 DVA 13 31.627 27.947 4.625
94 HG21 DVA 13 1HG2 DVA 13 29.735 29.634 5.164
95 HG22 DVA 13 2HG2 DVA 13 28.165 29.143 4.370
96 HG23 DVA 13 3HG2 DVA 13 29.604 28.970 3.458
97 HA DPR 14 HA DPR 14 28.079 22.584 5.191
98 HB2 DPR 14 HB1 DPR 14 27.085 23.278 7.918
99 HB3 DPR 14 HB2 DPR 14 26.312 22.339 6.557
100 HG2 DPR 14 HG1 DPR 14 25.531 24.771 7.395
101 HG3 DPR 14 HG2 DPR 14 25.324 24.263 5.691
102 HD2 DPR 14 HD1 DPR 14 27.448 26.032 6.799
103 HD3 DPR 14 HD2 DPR 14 26.692 26.071 5.280
Start of MODEL 6
1 H1 DCY 1 H1 DCY 1 28.069 21.638 7.446
2 HA DCY 1 HA DCY 1 31.016 21.259 7.297
3 HB2 DCY 1 HB1 DCY 1 28.749 19.409 7.533
4 HB3 DCY 1 HB2 DCY 1 30.294 18.916 8.053
5 H ASN 2 H ASN 2 31.923 22.027 8.924
6 HA ASN 2 HA ASN 2 31.034 21.528 11.664
7 HB2 ASN 2 HB2 ASN 2 33.592 20.694 10.317
8 HB3 ASN 2 HB1 ASN 2 33.320 20.536 12.034
9 HD21 ASN 2 1HD2 ASN 2 33.220 18.827 9.015
10 HD22 ASN 2 2HD2 ASN 2 31.937 17.668 9.424
11 H DVA 3 H DVA 3 31.730 24.029 9.762
12 HA DVA 3 HA DVA 3 33.449 25.383 11.727
13 HB DVA 3 HB DVA 3 31.847 27.460 11.335
14 HG11 DVA 3 1HG1 DVA 3 30.746 26.684 9.285
15 HG12 DVA 3 2HG1 DVA 3 29.627 27.126 10.418
16 HG13 DVA 3 3HG1 DVA 3 29.924 25.395 10.086
17 HG21 DVA 3 1HG2 DVA 3 30.426 26.966 13.038
18 HG22 DVA 3 2HG2 DVA 3 31.817 26.176 13.365
19 HG23 DVA 3 3HG2 DVA 3 30.545 25.116 12.776
20 HA DPR 4 HA DPR 4 35.639 27.062 8.448
21 HB2 DPR 4 HB1 DPR 4 35.166 29.716 9.710
22 HB3 DPR 4 HB2 DPR 4 36.663 29.032 8.889
23 HG2 DPR 4 HG1 DPR 4 36.537 28.979 11.570
24 HG3 DPR 4 HG2 DPR 4 36.916 27.471 10.774
25 HD2 DPR 4 HD1 DPR 4 34.162 28.218 11.744
26 HD3 DPR 4 HD2 DPR 4 35.145 26.717 11.918
27 H ASP 5 H ASP 5 35.523 27.734 6.484
28 HA ASP 5 HA ASP 5 33.186 29.021 5.292
29 HB2 ASP 5 HB2 ASP 5 34.437 30.753 4.321
30 HB3 ASP 5 HB1 ASP 5 34.296 30.959 6.083
31 H VAL 6 H VAL 6 34.553 26.389 4.758
32 HA VAL 6 HA VAL 6 34.962 26.945 1.924
33 HB VAL 6 HB VAL 6 36.408 24.945 1.715
34 HG11 VAL 6 1HG1 VAL 6 38.365 25.660 2.858
35 HG12 VAL 6 2HG1 VAL 6 37.359 26.614 3.929
36 HG13 VAL 6 3HG1 VAL 6 37.454 27.147 2.201
37 HG21 VAL 6 1HG2 VAL 6 37.162 23.682 3.492
38 HG22 VAL 6 2HG2 VAL 6 35.403 23.803 3.812
39 HG23 VAL 6 3HG2 VAL 6 36.706 24.755 4.694
40 H TYR 7 H TYR 7 34.944 24.398 1.038
41 HA TYR 7 HA TYR 7 32.168 24.011 0.587
42 HB2 TYR 7 HB2 TYR 7 33.002 21.682 -0.278
43 HB3 TYR 7 HB1 TYR 7 33.534 23.157 -1.131
44 HD1 TYR 7 HD1 TYR 7 35.866 23.450 -1.696
45 HD2 TYR 7 HD2 TYR 7 34.633 20.614 1.424
46 HE1 TYR 7 HE1 TYR 7 38.161 22.892 -1.118
47 HE2 TYR 7 HE2 TYR 7 36.954 19.988 1.737
48 HH TYR 7 HH TYR 7 38.952 20.566 1.423
49 H CYS 8 H CYS 8 30.688 22.424 1.056
50 HA CYS 8 HA CYS 8 31.575 20.220 2.676
51 HB2 CYS 8 HB2 CYS 8 30.551 21.649 4.503
52 HB3 CYS 8 HB1 CYS 8 29.110 21.839 3.427
53 HA DPR 9 HA DPR 9 28.703 17.673 0.537
54 HB2 DPR 9 HB1 DPR 9 31.025 17.290 -1.319
55 HB3 DPR 9 HB2 DPR 9 29.730 16.125 -0.684
56 HG2 DPR 9 HG1 DPR 9 32.221 16.349 0.269
57 HG3 DPR 9 HG2 DPR 9 30.995 16.101 1.410
58 HD2 DPR 9 HD1 DPR 9 32.338 18.629 0.524
59 HD3 DPR 9 HD2 DPR 9 31.861 18.112 2.167
60 H DSG 10 H DAN 10 30.554 20.133 -1.435
61 HA DSG 10 HA DAN 10 28.547 20.087 -3.480
62 HB2 DSG 10 HB1 DAN 10 30.398 20.701 -4.924
63 HB3 DSG 10 HB2 DAN 10 30.690 19.230 -4.105
64 HD21 DSG 10 1HD2 DAN 10 32.461 21.943 -5.144
65 HD22 DSG 10 2HD2 DAN 10 33.626 21.946 -3.905
66 H LYS 11 H LYS 11 27.938 21.451 -1.369
67 HA LYS 11 HA LYS 11 27.511 24.163 -2.247
68 HB2 LYS 11 HB2 LYS 11 26.663 22.777 0.312
69 HB3 LYS 11 HB1 LYS 11 26.193 24.416 -0.221
70 HG2 LYS 11 HG2 LYS 11 25.230 23.669 -2.342
71 HG3 LYS 11 HG1 LYS 11 25.483 22.025 -1.857
72 HD2 LYS 11 HD2 LYS 11 24.360 22.276 0.216
73 HD3 LYS 11 HD1 LYS 11 23.891 23.924 -0.130
74 HE2 LYS 11 HE2 LYS 11 22.640 23.091 -2.077
75 HE3 LYS 11 HE1 LYS 11 23.085 21.346 -1.793
76 HZ1 LYS 11 HZ1 LYS 11 21.154 21.701 -0.553
77 HZ2 LYS 11 HZ2 LYS 11 21.510 23.143 0.018
78 HZ3 LYS 11 HZ3 LYS 11 22.354 21.899 0.559
79 H TYR 12 H TYR 12 28.015 26.066 -0.729
80 HA TYR 12 HA TYR 12 30.527 25.678 0.846
81 HB2 TYR 12 HB2 TYR 12 29.634 27.780 -0.975
82 HB3 TYR 12 HB1 TYR 12 30.248 28.262 0.657
83 HD1 TYR 12 HD1 TYR 12 31.014 25.700 -1.905
84 HD2 TYR 12 HD2 TYR 12 32.458 28.821 0.547
85 HE1 TYR 12 HE1 TYR 12 33.440 25.134 -2.607
86 HE2 TYR 12 HE2 TYR 12 34.810 28.504 -0.207
87 HH TYR 12 HH TYR 12 36.198 26.939 -1.493
88 H DVA 13 H DVA 13 30.595 26.109 3.060
89 HA DVA 13 HA DVA 13 27.981 26.968 4.056
90 HB DVA 13 HB DVA 13 28.958 27.579 6.040
91 HG11 DVA 13 1HG1 DVA 13 31.713 26.726 4.917
92 HG12 DVA 13 2HG1 DVA 13 30.891 25.933 6.234
93 HG13 DVA 13 3HG1 DVA 13 31.420 27.542 6.443
94 HG21 DVA 13 1HG2 DVA 13 30.516 29.506 5.311
95 HG22 DVA 13 2HG2 DVA 13 28.966 29.390 4.507
96 HG23 DVA 13 3HG2 DVA 13 30.497 28.709 3.714
97 HA DPR 14 HA DPR 14 27.278 22.944 5.484
98 HB2 DPR 14 HB1 DPR 14 26.547 23.806 8.246
99 HB3 DPR 14 HB2 DPR 14 25.687 22.969 6.910
100 HG2 DPR 14 HG1 DPR 14 25.420 25.648 7.748
101 HG3 DPR 14 HG2 DPR 14 25.072 25.131 6.013
102 HD2 DPR 14 HD1 DPR 14 27.554 26.434 7.179
103 HD3 DPR 14 HD2 DPR 14 26.777 26.722 5.674
Start of MODEL 7
1 H1 DCY 1 H1 DCY 1 28.886 20.722 7.004
2 HA DCY 1 HA DCY 1 31.669 21.493 7.387
3 HB2 DCY 1 HB1 DCY 1 30.081 18.947 7.604
4 HB3 DCY 1 HB2 DCY 1 31.646 19.048 8.224
5 H ASN 2 H ASN 2 32.640 21.786 9.343
6 HA ASN 2 HA ASN 2 31.205 21.638 11.914
7 HB2 ASN 2 HB2 ASN 2 34.174 21.107 11.216
8 HB3 ASN 2 HB1 ASN 2 33.394 21.102 12.724
9 HD21 ASN 2 1HD2 ASN 2 34.640 19.162 10.252
10 HD22 ASN 2 2HD2 ASN 2 33.520 17.812 10.497
11 H DVA 3 H DVA 3 31.627 23.933 9.747
12 HA DVA 3 HA DVA 3 32.496 25.942 11.671
13 HB DVA 3 HB DVA 3 30.851 27.417 10.857
14 HG11 DVA 3 1HG1 DVA 3 31.212 27.271 8.485
15 HG12 DVA 3 2HG1 DVA 3 29.529 27.135 8.823
16 HG13 DVA 3 3HG1 DVA 3 30.342 25.675 8.421
17 HG21 DVA 3 1HG2 DVA 3 29.518 24.794 10.949
18 HG22 DVA 3 2HG2 DVA 3 28.602 26.362 10.895
19 HG23 DVA 3 3HG2 DVA 3 29.735 26.018 12.191
20 HA DPR 4 HA DPR 4 35.510 27.254 8.912
21 HB2 DPR 4 HB1 DPR 4 35.890 30.001 9.370
22 HB3 DPR 4 HB2 DPR 4 36.213 28.775 10.519
23 HG2 DPR 4 HG1 DPR 4 33.831 30.494 10.463
24 HG3 DPR 4 HG2 DPR 4 34.713 29.858 11.848
25 HD2 DPR 4 HD1 DPR 4 32.301 28.900 10.776
26 HD3 DPR 4 HD2 DPR 4 33.268 28.087 11.988
27 H ASP 5 H ASP 5 35.857 27.903 6.807
28 HA ASP 5 HA ASP 5 33.755 29.319 5.400
29 HB2 ASP 5 HB2 ASP 5 36.582 30.580 5.460
30 HB3 ASP 5 HB1 ASP 5 35.299 30.903 4.342
31 H VAL 6 H VAL 6 33.913 26.866 4.846
32 HA VAL 6 HA VAL 6 35.274 26.456 2.236
33 HB VAL 6 HB VAL 6 35.479 24.044 3.345
34 HG11 VAL 6 1HG1 VAL 6 37.910 24.446 3.222
35 HG12 VAL 6 2HG1 VAL 6 37.656 26.122 2.941
36 HG13 VAL 6 3HG1 VAL 6 36.948 24.982 1.784
37 HG21 VAL 6 1HG2 VAL 6 36.748 25.889 5.407
38 HG22 VAL 6 2HG2 VAL 6 36.901 24.178 5.240
39 HG23 VAL 6 3HG2 VAL 6 35.321 24.818 5.639
40 H TYR 7 H TYR 7 34.666 24.453 1.112
41 HA TYR 7 HA TYR 7 31.791 24.184 0.835
42 HB2 TYR 7 HB2 TYR 7 32.465 22.442 -0.792
43 HB3 TYR 7 HB1 TYR 7 33.074 24.002 -1.098
44 HD1 TYR 7 HD1 TYR 7 35.507 24.536 -0.686
45 HD2 TYR 7 HD2 TYR 7 33.973 20.571 -0.032
46 HE1 TYR 7 HE1 TYR 7 37.815 23.517 -0.790
47 HE2 TYR 7 HE2 TYR 7 36.035 19.564 -0.455
48 HH TYR 7 HH TYR 7 38.379 20.036 -1.038
49 H CYS 8 H CYS 8 30.385 22.498 1.365
50 HA CYS 8 HA CYS 8 31.509 20.052 2.398
51 HB2 CYS 8 HB2 CYS 8 31.010 21.304 4.185
52 HB3 CYS 8 HB1 CYS 8 29.211 21.426 3.673
53 HA DPR 9 HA DPR 9 27.762 18.160 0.413
54 HB2 DPR 9 HB1 DPR 9 29.976 16.944 -1.246
55 HB3 DPR 9 HB2 DPR 9 28.470 16.132 -0.551
56 HG2 DPR 9 HG1 DPR 9 30.935 15.890 0.581
57 HG3 DPR 9 HG2 DPR 9 29.497 16.150 1.624
58 HD2 DPR 9 HD1 DPR 9 31.582 18.094 0.862
59 HD3 DPR 9 HD2 DPR 9 30.696 17.964 2.380
60 H DSG 10 H DAN 10 30.234 19.527 -1.739
61 HA DSG 10 HA DAN 10 28.300 19.828 -3.864
62 HB2 DSG 10 HB1 DAN 10 29.975 20.399 -5.333
63 HB3 DSG 10 HB2 DAN 10 30.528 18.983 -4.291
64 HD21 DSG 10 1HD2 DAN 10 32.295 20.407 -5.798
65 HD22 DSG 10 2HD2 DAN 10 33.398 21.153 -4.615
66 H LYS 11 H LYS 11 28.610 21.808 -1.194
67 HA LYS 11 HA LYS 11 29.033 24.176 -2.601
68 HB2 LYS 11 HB2 LYS 11 26.751 25.109 -1.820
69 HB3 LYS 11 HB1 LYS 11 26.359 23.618 -2.755
70 HG2 LYS 11 HG2 LYS 11 26.610 22.524 -0.344
71 HG3 LYS 11 HG1 LYS 11 26.178 24.101 0.112
72 HD2 LYS 11 HD2 LYS 11 24.335 23.847 -1.850
73 HD3 LYS 11 HD1 LYS 11 24.829 22.154 -1.843
74 HE2 LYS 11 HE2 LYS 11 22.790 22.446 -0.559
75 HE3 LYS 11 HE1 LYS 11 24.110 22.032 0.504
76 HZ1 LYS 11 HZ1 LYS 11 23.052 24.752 0.054
77 HZ2 LYS 11 HZ2 LYS 11 24.256 24.349 1.127
78 HZ3 LYS 11 HZ3 LYS 11 22.805 23.878 1.474
79 H TYR 12 H TYR 12 28.783 26.114 -1.339
80 HA TYR 12 HA TYR 12 30.522 25.765 0.919
81 HB2 TYR 12 HB2 TYR 12 30.006 27.984 -0.861
82 HB3 TYR 12 HB1 TYR 12 30.149 28.524 0.744
83 HD1 TYR 12 HD1 TYR 12 31.912 26.131 -1.697
84 HD2 TYR 12 HD2 TYR 12 32.197 29.068 1.518
85 HE1 TYR 12 HE1 TYR 12 34.290 26.278 -2.019
86 HE2 TYR 12 HE2 TYR 12 34.701 28.889 1.322
87 HH TYR 12 HH TYR 12 36.250 28.259 0.097
88 H DVA 13 H DVA 13 30.172 25.559 2.864
89 HA DVA 13 HA DVA 13 27.700 26.464 4.302
90 HB DVA 13 HB DVA 13 29.050 27.410 6.027
91 HG11 DVA 13 1HG1 DVA 13 31.219 26.025 5.182
92 HG12 DVA 13 2HG1 DVA 13 31.420 27.575 6.024
93 HG13 DVA 13 3HG1 DVA 13 31.527 27.430 4.241
94 HG21 DVA 13 1HG2 DVA 13 30.060 29.379 4.782
95 HG22 DVA 13 2HG2 DVA 13 28.330 29.016 4.567
96 HG23 DVA 13 3HG2 DVA 13 29.528 28.510 3.310
97 HA DPR 14 HA DPR 14 27.849 22.401 5.665
98 HB2 DPR 14 HB1 DPR 14 27.067 22.591 8.292
99 HB3 DPR 14 HB2 DPR 14 25.920 22.826 6.953
100 HG2 DPR 14 HG1 DPR 14 27.545 24.832 8.568
101 HG3 DPR 14 HG2 DPR 14 25.742 24.903 8.283
102 HD2 DPR 14 HD1 DPR 14 27.245 26.330 6.614
103 HD3 DPR 14 HD2 DPR 14 26.037 25.358 5.907
Start of MODEL 8
1 H1 DCY 1 H1 DCY 1 28.620 20.940 6.898
2 HA DCY 1 HA DCY 1 31.505 21.515 7.171
3 HB2 DCY 1 HB1 DCY 1 29.900 18.912 7.602
4 HB3 DCY 1 HB2 DCY 1 31.321 19.229 8.346
5 H ASN 2 H ASN 2 32.641 21.589 8.985
6 HA ASN 2 HA ASN 2 31.107 21.303 11.555
7 HB2 ASN 2 HB2 ASN 2 34.057 20.856 10.923
8 HB3 ASN 2 HB1 ASN 2 33.186 20.706 12.448
9 HD21 ASN 2 1HD2 ASN 2 34.109 19.263 9.549
10 HD22 ASN 2 2HD2 ASN 2 33.268 17.692 9.943
11 H DVA 3 H DVA 3 31.553 23.801 9.849
12 HA DVA 3 HA DVA 3 32.837 25.487 11.847
13 HB DVA 3 HB DVA 3 31.125 27.300 11.302
14 HG11 DVA 3 1HG1 DVA 3 30.305 25.615 9.434
15 HG12 DVA 3 2HG1 DVA 3 29.084 26.722 10.254
16 HG13 DVA 3 3HG1 DVA 3 29.276 25.022 10.721
17 HG21 DVA 3 1HG2 DVA 3 29.628 26.470 13.022
18 HG22 DVA 3 2HG2 DVA 3 31.236 26.067 13.443
19 HG23 DVA 3 3HG2 DVA 3 30.251 24.790 12.764
20 HA DPR 4 HA DPR 4 35.030 26.467 8.351
21 HB2 DPR 4 HB1 DPR 4 36.281 28.873 8.926
22 HB3 DPR 4 HB2 DPR 4 36.755 27.335 9.759
23 HG2 DPR 4 HG1 DPR 4 34.875 29.506 10.761
24 HG3 DPR 4 HG2 DPR 4 36.106 28.550 11.677
25 HD2 DPR 4 HD1 DPR 4 33.546 28.072 11.763
26 HD3 DPR 4 HD2 DPR 4 34.731 26.681 11.845
27 H ASP 5 H ASP 5 35.379 27.957 6.467
28 HA ASP 5 HA ASP 5 32.788 29.089 5.750
29 HB2 ASP 5 HB2 ASP 5 33.869 30.894 4.760
30 HB3 ASP 5 HB1 ASP 5 33.831 30.930 6.483
31 H VAL 6 H VAL 6 34.544 26.662 4.822
32 HA VAL 6 HA VAL 6 34.865 27.350 1.932
33 HB VAL 6 HB VAL 6 36.285 25.433 1.832
34 HG11 VAL 6 1HG1 VAL 6 37.159 27.630 1.864
35 HG12 VAL 6 2HG1 VAL 6 38.194 26.336 2.749
36 HG13 VAL 6 3HG1 VAL 6 37.313 27.629 3.564
37 HG21 VAL 6 1HG2 VAL 6 36.354 25.372 4.851
38 HG22 VAL 6 2HG2 VAL 6 37.297 24.413 3.824
39 HG23 VAL 6 3HG2 VAL 6 35.500 24.150 3.897
40 H TYR 7 H TYR 7 34.914 24.747 0.915
41 HA TYR 7 HA TYR 7 32.058 24.181 0.633
42 HB2 TYR 7 HB2 TYR 7 32.387 22.883 -1.012
43 HB3 TYR 7 HB1 TYR 7 33.488 24.117 -1.361
44 HD1 TYR 7 HD1 TYR 7 35.927 23.912 -1.039
45 HD2 TYR 7 HD2 TYR 7 33.336 20.557 -0.478
46 HE1 TYR 7 HE1 TYR 7 37.817 22.285 -1.669
47 HE2 TYR 7 HE2 TYR 7 35.317 19.019 -0.428
48 HH TYR 7 HH TYR 7 37.566 18.896 -0.691
49 H CYS 8 H CYS 8 30.825 22.767 1.401
50 HA CYS 8 HA CYS 8 31.997 20.160 2.113
51 HB2 CYS 8 HB2 CYS 8 31.905 21.326 4.147
52 HB3 CYS 8 HB1 CYS 8 30.122 21.595 3.983
53 HA DPR 9 HA DPR 9 27.820 18.718 1.450
54 HB2 DPR 9 HB1 DPR 9 28.391 16.581 -0.256
55 HB3 DPR 9 HB2 DPR 9 28.561 16.491 1.505
56 HG2 DPR 9 HG1 DPR 9 30.676 16.912 -0.637
57 HG3 DPR 9 HG2 DPR 9 30.864 15.968 0.850
58 HD2 DPR 9 HD1 DPR 9 31.866 18.337 0.881
59 HD3 DPR 9 HD2 DPR 9 30.958 17.783 2.297
60 H DSG 10 H DAN 10 30.071 19.668 -1.228
61 HA DSG 10 HA DAN 10 27.837 19.630 -3.063
62 HB2 DSG 10 HB1 DAN 10 29.403 19.602 -4.757
63 HB3 DSG 10 HB2 DAN 10 29.846 18.303 -3.556
64 HD21 DSG 10 1HD2 DAN 10 31.149 20.432 -5.765
65 HD22 DSG 10 2HD2 DAN 10 32.573 20.870 -4.940
66 H LYS 11 H LYS 11 28.592 21.838 -0.893
67 HA LYS 11 HA LYS 11 28.894 24.138 -2.598
68 HB2 LYS 11 HB2 LYS 11 26.922 25.179 -1.532
69 HB3 LYS 11 HB1 LYS 11 26.584 23.792 -2.566
70 HG2 LYS 11 HG2 LYS 11 26.185 22.374 -0.801
71 HG3 LYS 11 HG1 LYS 11 26.696 23.469 0.441
72 HD2 LYS 11 HD2 LYS 11 24.597 24.937 -0.193
73 HD3 LYS 11 HD1 LYS 11 24.265 23.635 -1.323
74 HE2 LYS 11 HE2 LYS 11 22.968 23.027 0.445
75 HE3 LYS 11 HE1 LYS 11 24.329 21.974 0.549
76 HZ1 LYS 11 HZ1 LYS 11 23.644 23.183 2.649
77 HZ2 LYS 11 HZ2 LYS 11 24.313 24.480 2.055
78 HZ3 LYS 11 HZ3 LYS 11 25.218 23.016 2.379
79 H TYR 12 H TYR 12 29.166 26.134 -1.442
80 HA TYR 12 HA TYR 12 30.925 25.800 0.934
81 HB2 TYR 12 HB2 TYR 12 30.148 28.223 -0.671
82 HB3 TYR 12 HB1 TYR 12 30.977 28.385 0.934
83 HD1 TYR 12 HD1 TYR 12 31.590 26.199 -1.960
84 HD2 TYR 12 HD2 TYR 12 33.087 29.097 0.715
85 HE1 TYR 12 HE1 TYR 12 33.685 25.925 -3.055
86 HE2 TYR 12 HE2 TYR 12 35.359 28.692 -0.052
87 HH TYR 12 HH TYR 12 36.672 27.718 -1.622
88 H DVA 13 H DVA 13 30.481 25.659 2.766
89 HA DVA 13 HA DVA 13 28.055 26.862 3.897
90 HB DVA 13 HB DVA 13 28.971 27.391 5.885
91 HG11 DVA 13 1HG1 DVA 13 30.996 25.820 5.747
92 HG12 DVA 13 2HG1 DVA 13 31.261 27.424 6.462
93 HG13 DVA 13 3HG1 DVA 13 31.797 27.224 4.833
94 HG21 DVA 13 1HG2 DVA 13 30.439 29.354 5.168
95 HG22 DVA 13 2HG2 DVA 13 28.831 29.301 4.464
96 HG23 DVA 13 3HG2 DVA 13 30.353 28.793 3.582
97 HA DPR 14 HA DPR 14 27.446 22.668 5.429
98 HB2 DPR 14 HB1 DPR 14 27.364 23.918 8.167
99 HB3 DPR 14 HB2 DPR 14 26.201 22.795 7.581
100 HG2 DPR 14 HG1 DPR 14 25.540 25.479 7.558
101 HG3 DPR 14 HG2 DPR 14 25.181 24.473 6.128
102 HD2 DPR 14 HD1 DPR 14 27.351 26.439 6.589
103 HD3 DPR 14 HD2 DPR 14 26.444 26.027 5.146
Start of MODEL 9
1 H1 DCY 1 H1 DCY 1 28.100 21.715 6.252
2 HA DCY 1 HA DCY 1 30.695 21.691 7.158
3 HB2 DCY 1 HB1 DCY 1 29.114 20.034 5.880
4 HB3 DCY 1 HB2 DCY 1 29.005 19.216 7.285
5 H ASN 2 H ASN 2 31.535 21.956 8.893
6 HA ASN 2 HA ASN 2 30.176 21.656 11.401
7 HB2 ASN 2 HB2 ASN 2 33.127 20.949 11.210
8 HB3 ASN 2 HB1 ASN 2 32.285 20.829 12.601
9 HD21 ASN 2 1HD2 ASN 2 33.043 19.062 9.787
10 HD22 ASN 2 2HD2 ASN 2 31.876 17.707 9.967
11 H DVA 3 H DVA 3 31.022 23.988 9.546
12 HA DVA 3 HA DVA 3 32.655 25.566 11.452
13 HB DVA 3 HB DVA 3 31.406 27.531 10.956
14 HG11 DVA 3 1HG1 DVA 3 29.069 27.431 10.549
15 HG12 DVA 3 2HG1 DVA 3 29.152 25.695 10.130
16 HG13 DVA 3 3HG1 DVA 3 30.024 26.808 9.122
17 HG21 DVA 3 1HG2 DVA 3 29.801 25.309 12.416
18 HG22 DVA 3 2HG2 DVA 3 29.900 27.002 12.816
19 HG23 DVA 3 3HG2 DVA 3 31.260 26.001 13.166
20 HA DPR 4 HA DPR 4 34.331 24.837 7.030
21 HB2 DPR 4 HB1 DPR 4 36.723 25.690 8.550
22 HB3 DPR 4 HB2 DPR 4 36.637 24.375 7.396
23 HG2 DPR 4 HG1 DPR 4 36.819 23.862 9.973
24 HG3 DPR 4 HG2 DPR 4 35.589 22.947 8.969
25 HD2 DPR 4 HD1 DPR 4 35.192 25.262 10.818
26 HD3 DPR 4 HD2 DPR 4 34.108 23.881 10.578
27 H ASP 5 H ASP 5 35.338 26.077 5.531
28 HA ASP 5 HA ASP 5 35.761 28.929 6.070
29 HB2 ASP 5 HB2 ASP 5 37.169 27.214 4.119
30 HB3 ASP 5 HB1 ASP 5 37.521 28.930 4.322
31 H VAL 6 H VAL 6 35.028 26.637 3.442
32 HA VAL 6 HA VAL 6 33.360 28.770 2.211
33 HB VAL 6 HB VAL 6 34.330 28.395 -0.062
34 HG11 VAL 6 1HG1 VAL 6 34.896 30.325 1.449
35 HG12 VAL 6 2HG1 VAL 6 36.202 30.035 0.339
36 HG13 VAL 6 3HG1 VAL 6 36.364 29.447 1.963
37 HG21 VAL 6 1HG2 VAL 6 36.459 27.336 -0.304
38 HG22 VAL 6 2HG2 VAL 6 35.564 26.253 0.548
39 HG23 VAL 6 3HG2 VAL 6 36.720 27.315 1.497
40 H TYR 7 H TYR 7 34.331 25.335 1.989
41 HA TYR 7 HA TYR 7 31.475 24.713 1.709
42 HB2 TYR 7 HB2 TYR 7 32.007 23.158 -0.239
43 HB3 TYR 7 HB1 TYR 7 31.681 24.894 -0.490
44 HD1 TYR 7 HD1 TYR 7 33.405 26.212 -1.708
45 HD2 TYR 7 HD2 TYR 7 34.360 22.305 -0.222
46 HE1 TYR 7 HE1 TYR 7 35.336 26.184 -3.196
47 HE2 TYR 7 HE2 TYR 7 36.356 22.332 -1.649
48 HH TYR 7 HH TYR 7 37.581 23.445 -3.245
49 H CYS 8 H CYS 8 30.916 22.585 2.132
50 HA CYS 8 HA CYS 8 32.975 20.622 2.306
51 HB2 CYS 8 HB2 CYS 8 32.711 20.960 4.466
52 HB3 CYS 8 HB1 CYS 8 30.957 21.301 4.420
53 HA DPR 9 HA DPR 9 29.643 18.045 1.244
54 HB2 DPR 9 HB1 DPR 9 31.363 17.086 -1.037
55 HB3 DPR 9 HB2 DPR 9 30.571 16.062 0.184
56 HG2 DPR 9 HG1 DPR 9 33.184 16.473 0.504
57 HG3 DPR 9 HG2 DPR 9 32.074 16.606 1.926
58 HD2 DPR 9 HD1 DPR 9 33.178 18.927 0.194
59 HD3 DPR 9 HD2 DPR 9 33.236 18.682 1.911
60 H DSG 10 H DAN 10 31.093 19.900 -1.355
61 HA DSG 10 HA DAN 10 28.948 19.446 -3.321
62 HB2 DSG 10 HB1 DAN 10 30.427 20.877 -4.687
63 HB3 DSG 10 HB2 DAN 10 31.314 19.595 -3.938
64 HD21 DSG 10 1HD2 DAN 10 31.263 23.107 -4.185
65 HD22 DSG 10 2HD2 DAN 10 32.585 23.239 -3.115
66 H LYS 11 H LYS 11 28.972 21.357 -0.525
67 HA LYS 11 HA LYS 11 27.501 23.685 -1.729
68 HB2 LYS 11 HB2 LYS 11 25.794 23.536 -0.205
69 HB3 LYS 11 HB1 LYS 11 26.003 21.841 -0.746
70 HG2 LYS 11 HG2 LYS 11 27.121 21.493 1.415
71 HG3 LYS 11 HG1 LYS 11 27.120 23.122 1.781
72 HD2 LYS 11 HD2 LYS 11 24.700 23.062 2.077
73 HD3 LYS 11 HD1 LYS 11 24.569 21.391 1.412
74 HE2 LYS 11 HE2 LYS 11 25.980 22.316 3.982
75 HE3 LYS 11 HE1 LYS 11 24.401 21.709 3.900
76 HZ1 LYS 11 HZ1 LYS 11 25.587 19.773 4.176
77 HZ2 LYS 11 HZ2 LYS 11 26.945 20.302 3.375
78 HZ3 LYS 11 HZ3 LYS 11 25.687 19.782 2.517
79 H TYR 12 H TYR 12 27.440 25.527 -0.611
80 HA TYR 12 HA TYR 12 30.046 26.118 0.491
81 HB2 TYR 12 HB2 TYR 12 27.685 27.653 -0.491
82 HB3 TYR 12 HB1 TYR 12 28.496 28.408 0.813
83 HD1 TYR 12 HD1 TYR 12 29.617 26.433 -2.221
84 HD2 TYR 12 HD2 TYR 12 29.835 30.003 0.100
85 HE1 TYR 12 HE1 TYR 12 31.522 27.185 -3.570
86 HE2 TYR 12 HE2 TYR 12 31.630 30.921 -1.495
87 HH TYR 12 HH TYR 12 32.711 30.483 -3.540
88 H DVA 13 H DVA 13 30.489 26.626 2.600
89 HA DVA 13 HA DVA 13 28.551 27.419 4.358
90 HB DVA 13 HB DVA 13 30.271 27.559 6.006
91 HG11 DVA 13 1HG1 DVA 13 31.550 25.576 5.558
92 HG12 DVA 13 2HG1 DVA 13 32.474 27.049 5.644
93 HG13 DVA 13 3HG1 DVA 13 32.267 26.441 4.019
94 HG21 DVA 13 1HG2 DVA 13 29.928 29.262 4.588
95 HG22 DVA 13 2HG2 DVA 13 30.854 28.639 3.237
96 HG23 DVA 13 3HG2 DVA 13 31.676 29.267 4.736
97 HA DPR 14 HA DPR 14 26.941 23.707 6.180
98 HB2 DPR 14 HB1 DPR 14 27.388 25.051 8.884
99 HB3 DPR 14 HB2 DPR 14 25.974 24.188 8.303
100 HG2 DPR 14 HG1 DPR 14 26.046 26.804 8.287
101 HG3 DPR 14 HG2 DPR 14 25.384 26.135 6.831
102 HD2 DPR 14 HD1 DPR 14 28.267 27.156 7.290
103 HD3 DPR 14 HD2 DPR 14 27.198 27.312 5.844
Start of MODEL 10
1 H1 DCY 1 H1 DCY 1 28.710 21.241 7.012
2 HA DCY 1 HA DCY 1 31.653 21.461 7.528
3 HB2 DCY 1 HB1 DCY 1 29.936 18.984 7.638
4 HB3 DCY 1 HB2 DCY 1 31.463 19.007 8.075
5 H ASN 2 H ASN 2 32.500 21.526 9.473
6 HA ASN 2 HA ASN 2 30.777 21.330 11.829
7 HB2 ASN 2 HB2 ASN 2 33.673 20.823 11.583
8 HB3 ASN 2 HB1 ASN 2 32.753 20.712 13.083
9 HD21 ASN 2 1HD2 ASN 2 30.950 18.750 13.186
10 HD22 ASN 2 2HD2 ASN 2 30.933 17.718 11.861
11 H DVA 3 H DVA 3 31.337 23.829 10.143
12 HA DVA 3 HA DVA 3 32.407 25.657 12.161
13 HB DVA 3 HB DVA 3 31.541 27.343 10.767
14 HG11 DVA 3 1HG1 DVA 3 29.903 25.229 9.454
15 HG12 DVA 3 2HG1 DVA 3 31.330 25.887 8.632
16 HG13 DVA 3 3HG1 DVA 3 29.852 26.925 9.031
17 HG21 DVA 3 1HG2 DVA 3 29.311 27.133 11.465
18 HG22 DVA 3 2HG2 DVA 3 30.350 26.365 12.743
19 HG23 DVA 3 3HG2 DVA 3 29.578 25.297 11.759
20 HA DPR 4 HA DPR 4 36.033 26.369 9.662
21 HB2 DPR 4 HB1 DPR 4 35.359 29.299 9.371
22 HB3 DPR 4 HB2 DPR 4 36.943 28.507 9.843
23 HG2 DPR 4 HG1 DPR 4 35.461 29.529 11.705
24 HG3 DPR 4 HG2 DPR 4 36.332 28.001 11.992
25 HD2 DPR 4 HD1 DPR 4 33.361 28.434 11.503
26 HD3 DPR 4 HD2 DPR 4 34.216 27.326 12.462
27 H ASP 5 H ASP 5 36.786 26.373 7.660
28 HA ASP 5 HA ASP 5 36.765 25.910 5.535
29 HB2 ASP 5 HB2 ASP 5 35.194 24.350 6.979
30 HB3 ASP 5 HB1 ASP 5 34.036 24.808 5.714
31 H VAL 6 H VAL 6 35.456 25.616 3.466
32 HA VAL 6 HA VAL 6 33.595 27.803 2.957
33 HB VAL 6 HB VAL 6 34.562 27.796 0.521
34 HG11 VAL 6 1HG1 VAL 6 36.100 29.137 2.801
35 HG12 VAL 6 2HG1 VAL 6 34.683 29.778 2.055
36 HG13 VAL 6 3HG1 VAL 6 36.207 29.534 1.099
37 HG21 VAL 6 1HG2 VAL 6 37.026 27.527 0.403
38 HG22 VAL 6 2HG2 VAL 6 36.283 25.945 0.728
39 HG23 VAL 6 3HG2 VAL 6 36.943 26.854 2.052
40 H TYR 7 H TYR 7 34.217 24.488 2.432
41 HA TYR 7 HA TYR 7 31.715 24.245 0.878
42 HB2 TYR 7 HB2 TYR 7 34.561 23.528 0.059
43 HB3 TYR 7 HB1 TYR 7 33.426 22.372 -0.316
44 HD1 TYR 7 HD1 TYR 7 31.683 22.828 -2.008
45 HD2 TYR 7 HD2 TYR 7 34.673 25.709 -1.123
46 HE1 TYR 7 HE1 TYR 7 31.087 24.029 -4.124
47 HE2 TYR 7 HE2 TYR 7 34.279 26.809 -3.240
48 HH TYR 7 HH TYR 7 32.922 26.874 -5.178
49 H CYS 8 H CYS 8 30.542 22.620 1.258
50 HA CYS 8 HA CYS 8 31.560 20.211 2.440
51 HB2 CYS 8 HB2 CYS 8 30.780 21.669 4.354
52 HB3 CYS 8 HB1 CYS 8 29.227 21.542 3.709
53 HA DPR 9 HA DPR 9 27.706 18.884 0.816
54 HB2 DPR 9 HB1 DPR 9 29.094 16.433 -0.501
55 HB3 DPR 9 HB2 DPR 9 27.674 16.525 0.473
56 HG2 DPR 9 HG1 DPR 9 30.014 15.817 1.701
57 HG3 DPR 9 HG2 DPR 9 28.938 16.948 2.600
58 HD2 DPR 9 HD1 DPR 9 31.182 17.698 0.690
59 HD3 DPR 9 HD2 DPR 9 30.903 18.274 2.461
60 H DSG 10 H DAN 10 30.245 19.315 -1.116
61 HA DSG 10 HA DAN 10 28.723 19.329 -3.639
62 HB2 DSG 10 HB1 DAN 10 30.811 19.747 -4.695
63 HB3 DSG 10 HB2 DAN 10 30.924 18.372 -3.612
64 HD21 DSG 10 1HD2 DAN 10 33.266 20.460 -4.688
65 HD22 DSG 10 2HD2 DAN 10 33.849 20.973 -3.125
66 H LYS 11 H LYS 11 28.809 21.554 -1.293
67 HA LYS 11 HA LYS 11 28.866 23.901 -3.073
68 HB2 LYS 11 HB2 LYS 11 26.512 23.034 -1.439
69 HB3 LYS 11 HB1 LYS 11 26.650 24.646 -2.256
70 HG2 LYS 11 HG2 LYS 11 26.890 23.495 -4.439
71 HG3 LYS 11 HG1 LYS 11 26.736 21.981 -3.644
72 HD2 LYS 11 HD2 LYS 11 24.592 24.120 -3.890
73 HD3 LYS 11 HD1 LYS 11 24.735 22.628 -4.714
74 HE2 LYS 11 HE2 LYS 11 24.790 21.371 -2.281
75 HE3 LYS 11 HE1 LYS 11 24.051 22.789 -1.862
76 HZ1 LYS 11 HZ1 LYS 11 22.388 22.436 -3.754
77 HZ2 LYS 11 HZ2 LYS 11 22.314 21.204 -2.710
78 HZ3 LYS 11 HZ3 LYS 11 23.180 21.010 -4.026
79 H TYR 12 H TYR 12 28.097 25.933 -1.441
80 HA TYR 12 HA TYR 12 30.345 26.144 0.112
81 HB2 TYR 12 HB2 TYR 12 28.750 27.770 -1.417
82 HB3 TYR 12 HB1 TYR 12 28.504 28.325 0.246
83 HD1 TYR 12 HD1 TYR 12 31.282 27.354 -2.011
84 HD2 TYR 12 HD2 TYR 12 29.950 29.999 1.043
85 HE1 TYR 12 HE1 TYR 12 33.446 28.725 -2.238
86 HE2 TYR 12 HE2 TYR 12 32.026 31.199 0.958
87 HH TYR 12 HH TYR 12 34.188 31.445 -0.140
88 H DVA 13 H DVA 13 30.705 26.380 2.369
89 HA DVA 13 HA DVA 13 28.444 27.087 4.105
90 HB DVA 13 HB DVA 13 29.909 27.378 5.865
91 HG11 DVA 13 1HG1 DVA 13 31.487 25.705 5.838
92 HG12 DVA 13 2HG1 DVA 13 32.413 27.203 5.285
93 HG13 DVA 13 3HG1 DVA 13 31.845 25.983 4.052
94 HG21 DVA 13 1HG2 DVA 13 31.299 29.103 4.771
95 HG22 DVA 13 2HG2 DVA 13 29.653 29.024 4.063
96 HG23 DVA 13 3HG2 DVA 13 31.156 28.451 3.278
97 HA DPR 14 HA DPR 14 27.923 22.948 5.558
98 HB2 DPR 14 HB1 DPR 14 27.689 23.767 8.432
99 HB3 DPR 14 HB2 DPR 14 26.374 22.925 7.583
100 HG2 DPR 14 HG1 DPR 14 26.072 25.566 7.954
101 HG3 DPR 14 HG2 DPR 14 25.763 24.848 6.324
102 HD2 DPR 14 HD1 DPR 14 28.181 26.368 7.289
103 HD3 DPR 14 HD2 DPR 14 27.228 26.562 5.785
Start of MODEL 11
1 H1 DCY 1 H1 DCY 1 28.061 22.004 7.371
2 HA DCY 1 HA DCY 1 31.014 21.768 7.306
3 HB2 DCY 1 HB1 DCY 1 28.700 19.880 7.490
4 HB3 DCY 1 HB2 DCY 1 30.187 19.332 8.352
5 H ASN 2 H ASN 2 31.973 21.111 9.417
6 HA ASN 2 HA ASN 2 30.383 21.363 11.730
7 HB2 ASN 2 HB2 ASN 2 33.038 19.831 11.406
8 HB3 ASN 2 HB1 ASN 2 31.979 19.915 12.882
9 HD21 ASN 2 1HD2 ASN 2 32.664 18.076 10.137
10 HD22 ASN 2 2HD2 ASN 2 31.285 17.067 10.260
11 H DVA 3 H DVA 3 32.160 23.171 9.895
12 HA DVA 3 HA DVA 3 33.372 24.879 11.964
13 HB DVA 3 HB DVA 3 32.291 26.838 11.020
14 HG11 DVA 3 1HG1 DVA 3 30.204 26.666 9.752
15 HG12 DVA 3 2HG1 DVA 3 30.287 24.929 9.883
16 HG13 DVA 3 3HG1 DVA 3 31.469 25.827 8.814
17 HG21 DVA 3 1HG2 DVA 3 30.099 26.458 12.124
18 HG22 DVA 3 2HG2 DVA 3 31.470 26.054 13.082
19 HG23 DVA 3 3HG2 DVA 3 30.556 24.759 12.315
20 HA DPR 4 HA DPR 4 36.716 26.004 9.063
21 HB2 DPR 4 HB1 DPR 4 35.412 28.683 9.056
22 HB3 DPR 4 HB2 DPR 4 37.110 28.211 9.090
23 HG2 DPR 4 HG1 DPR 4 36.014 28.882 11.402
24 HG3 DPR 4 HG2 DPR 4 36.974 27.387 11.283
25 HD2 DPR 4 HD1 DPR 4 33.985 27.542 11.381
26 HD3 DPR 4 HD2 DPR 4 35.095 26.480 12.249
27 H ASP 5 H ASP 5 37.257 26.203 7.074
28 HA ASP 5 HA ASP 5 37.084 26.034 4.822
29 HB2 ASP 5 HB2 ASP 5 35.738 23.940 5.875
30 HB3 ASP 5 HB1 ASP 5 34.586 24.554 4.744
31 H VAL 6 H VAL 6 35.498 26.005 2.966
32 HA VAL 6 HA VAL 6 33.336 27.953 3.261
33 HB VAL 6 HB VAL 6 33.636 28.916 0.978
34 HG11 VAL 6 1HG1 VAL 6 35.869 29.645 2.754
35 HG12 VAL 6 2HG1 VAL 6 34.268 30.098 3.301
36 HG13 VAL 6 3HG1 VAL 6 34.873 30.604 1.707
37 HG21 VAL 6 1HG2 VAL 6 35.118 27.215 0.084
38 HG22 VAL 6 2HG2 VAL 6 36.370 27.695 1.253
39 HG23 VAL 6 3HG2 VAL 6 35.858 28.879 0.095
40 H TYR 7 H TYR 7 34.444 24.995 1.986
41 HA TYR 7 HA TYR 7 31.902 24.447 0.655
42 HB2 TYR 7 HB2 TYR 7 34.580 23.165 0.470
43 HB3 TYR 7 HB1 TYR 7 33.224 22.404 -0.231
44 HD1 TYR 7 HD1 TYR 7 31.902 23.764 -2.108
45 HD2 TYR 7 HD2 TYR 7 35.767 25.057 -0.671
46 HE1 TYR 7 HE1 TYR 7 32.210 25.131 -4.142
47 HE2 TYR 7 HE2 TYR 7 36.062 26.352 -2.631
48 HH TYR 7 HH TYR 7 35.047 27.313 -4.327
49 H CYS 8 H CYS 8 30.547 22.685 1.033
50 HA CYS 8 HA CYS 8 31.774 20.596 2.591
51 HB2 CYS 8 HB2 CYS 8 30.873 21.740 4.413
52 HB3 CYS 8 HB1 CYS 8 29.306 22.033 3.459
53 HA DPR 9 HA DPR 9 28.398 17.962 1.157
54 HB2 DPR 9 HB1 DPR 9 30.474 16.693 -0.402
55 HB3 DPR 9 HB2 DPR 9 29.246 15.952 0.786
56 HG2 DPR 9 HG1 DPR 9 31.867 16.083 1.379
57 HG3 DPR 9 HG2 DPR 9 30.523 16.167 2.565
58 HD2 DPR 9 HD1 DPR 9 32.267 18.358 1.484
59 HD3 DPR 9 HD2 DPR 9 31.526 18.274 3.062
60 H DSG 10 H DAN 10 30.970 19.348 -1.084
61 HA DSG 10 HA DAN 10 29.190 19.159 -3.438
62 HB2 DSG 10 HB1 DAN 10 30.983 19.880 -4.711
63 HB3 DSG 10 HB2 DAN 10 31.480 18.677 -3.514
64 HD21 DSG 10 1HD2 DAN 10 32.008 21.927 -4.585
65 HD22 DSG 10 2HD2 DAN 10 33.204 22.315 -3.387
66 H LYS 11 H LYS 11 29.260 21.580 -1.078
67 HA LYS 11 HA LYS 11 28.488 23.713 -2.960
68 HB2 LYS 11 HB2 LYS 11 26.380 24.002 -1.929
69 HB3 LYS 11 HB1 LYS 11 26.407 22.384 -2.437
70 HG2 LYS 11 HG2 LYS 11 26.683 21.386 -0.396
71 HG3 LYS 11 HG1 LYS 11 27.089 22.961 0.393
72 HD2 LYS 11 HD2 LYS 11 24.865 23.203 0.859
73 HD3 LYS 11 HD1 LYS 11 24.616 23.465 -0.851
74 HE2 LYS 11 HE2 LYS 11 23.197 21.857 -0.737
75 HE3 LYS 11 HE1 LYS 11 24.603 20.720 -0.947
76 HZ1 LYS 11 HZ1 LYS 11 24.507 20.579 1.552
77 HZ2 LYS 11 HZ2 LYS 11 22.984 20.302 0.964
78 HZ3 LYS 11 HZ3 LYS 11 23.296 21.712 1.515
79 H TYR 12 H TYR 12 27.753 25.668 -1.590
80 HA TYR 12 HA TYR 12 29.976 26.385 0.024
81 HB2 TYR 12 HB2 TYR 12 27.976 27.825 -1.390
82 HB3 TYR 12 HB1 TYR 12 27.834 28.199 0.327
83 HD1 TYR 12 HD1 TYR 12 30.420 27.482 -2.234
84 HD2 TYR 12 HD2 TYR 12 29.100 30.268 0.744
85 HE1 TYR 12 HE1 TYR 12 32.471 28.789 -2.523
86 HE2 TYR 12 HE2 TYR 12 31.232 31.576 0.592
87 HH TYR 12 HH TYR 12 32.905 32.006 -0.846
88 H DVA 13 H DVA 13 30.226 26.837 1.995
89 HA DVA 13 HA DVA 13 28.032 27.280 3.676
90 HB DVA 13 HB DVA 13 29.293 27.922 5.303
91 HG11 DVA 13 1HG1 DVA 13 31.894 27.727 5.096
92 HG12 DVA 13 2HG1 DVA 13 31.635 26.361 3.980
93 HG13 DVA 13 3HG1 DVA 13 31.063 26.198 5.631
94 HG21 DVA 13 1HG2 DVA 13 29.306 29.515 3.579
95 HG22 DVA 13 2HG2 DVA 13 30.808 28.843 3.022
96 HG23 DVA 13 3HG2 DVA 13 30.688 29.731 4.596
97 HA DPR 14 HA DPR 14 27.192 23.556 5.837
98 HB2 DPR 14 HB1 DPR 14 27.990 24.966 8.409
99 HB3 DPR 14 HB2 DPR 14 26.514 23.930 8.119
100 HG2 DPR 14 HG1 DPR 14 26.365 26.625 8.260
101 HG3 DPR 14 HG2 DPR 14 25.513 25.798 6.832
102 HD2 DPR 14 HD1 DPR 14 28.127 27.163 6.875
103 HD3 DPR 14 HD2 DPR 14 26.881 27.155 5.661
Start of MODEL 12
1 H1 DCY 1 H1 DCY 1 28.101 21.136 7.147
2 HA DCY 1 HA DCY 1 30.889 21.911 7.180
3 HB2 DCY 1 HB1 DCY 1 29.506 19.271 7.623
4 HB3 DCY 1 HB2 DCY 1 31.153 19.451 8.162
5 H ASN 2 H ASN 2 32.186 21.399 9.433
6 HA ASN 2 HA ASN 2 30.410 22.019 11.721
7 HB2 ASN 2 HB2 ASN 2 33.114 20.611 11.656
8 HB3 ASN 2 HB1 ASN 2 32.074 21.143 13.034
9 HD21 ASN 2 1HD2 ASN 2 29.405 20.223 12.360
10 HD22 ASN 2 2HD2 ASN 2 29.747 18.503 12.133
11 H DVA 3 H DVA 3 32.582 23.782 9.768
12 HA DVA 3 HA DVA 3 33.545 25.555 11.961
13 HB DVA 3 HB DVA 3 32.433 27.495 10.876
14 HG11 DVA 3 1HG1 DVA 3 30.879 27.473 9.438
15 HG12 DVA 3 2HG1 DVA 3 30.242 25.795 9.644
16 HG13 DVA 3 3HG1 DVA 3 31.763 26.236 8.760
17 HG21 DVA 3 1HG2 DVA 3 30.648 25.637 12.354
18 HG22 DVA 3 2HG2 DVA 3 30.419 27.357 11.849
19 HG23 DVA 3 3HG2 DVA 3 31.609 26.920 13.025
20 HA DPR 4 HA DPR 4 36.857 26.926 9.195
21 HB2 DPR 4 HB1 DPR 4 35.066 29.378 9.294
22 HB3 DPR 4 HB2 DPR 4 36.913 29.312 9.058
23 HG2 DPR 4 HG1 DPR 4 36.322 29.545 11.512
24 HG3 DPR 4 HG2 DPR 4 37.303 28.176 11.084
25 HD2 DPR 4 HD1 DPR 4 34.382 28.260 11.632
26 HD3 DPR 4 HD2 DPR 4 35.615 27.038 12.152
27 H ASP 5 H ASP 5 37.183 28.021 7.199
28 HA ASP 5 HA ASP 5 36.964 28.205 4.889
29 HB2 ASP 5 HB2 ASP 5 37.284 25.704 5.745
30 HB3 ASP 5 HB1 ASP 5 35.648 25.509 5.217
31 H VAL 6 H VAL 6 35.021 26.686 3.156
32 HA VAL 6 HA VAL 6 32.427 27.798 3.826
33 HB VAL 6 HB VAL 6 32.251 28.706 1.433
34 HG11 VAL 6 1HG1 VAL 6 32.942 30.896 1.957
35 HG12 VAL 6 2HG1 VAL 6 34.028 30.217 3.325
36 HG13 VAL 6 3HG1 VAL 6 32.297 30.006 3.345
37 HG21 VAL 6 1HG2 VAL 6 34.471 27.824 0.519
38 HG22 VAL 6 2HG2 VAL 6 35.230 29.140 1.471
39 HG23 VAL 6 3HG2 VAL 6 33.877 29.359 0.205
40 H TYR 7 H TYR 7 34.391 25.256 2.347
41 HA TYR 7 HA TYR 7 32.178 24.383 0.567
42 HB2 TYR 7 HB2 TYR 7 35.121 24.289 0.547
43 HB3 TYR 7 HB1 TYR 7 34.150 22.935 -0.097
44 HD1 TYR 7 HD1 TYR 7 32.541 26.087 -0.438
45 HD2 TYR 7 HD2 TYR 7 35.437 23.491 -2.149
46 HE1 TYR 7 HE1 TYR 7 32.567 27.511 -2.471
47 HE2 TYR 7 HE2 TYR 7 35.325 24.889 -4.317
48 HH TYR 7 HH TYR 7 34.489 26.699 -5.349
49 H CYS 8 H CYS 8 30.740 22.818 1.029
50 HA CYS 8 HA CYS 8 31.785 20.616 2.579
51 HB2 CYS 8 HB2 CYS 8 30.800 22.097 4.409
52 HB3 CYS 8 HB1 CYS 8 29.317 22.081 3.418
53 HA DPR 9 HA DPR 9 28.416 18.288 0.693
54 HB2 DPR 9 HB1 DPR 9 30.787 16.814 -0.403
55 HB3 DPR 9 HB2 DPR 9 29.193 16.182 0.260
56 HG2 DPR 9 HG1 DPR 9 31.491 16.137 1.786
57 HG3 DPR 9 HG2 DPR 9 29.886 16.730 2.375
58 HD2 DPR 9 HD1 DPR 9 32.200 18.251 1.023
59 HD3 DPR 9 HD2 DPR 9 31.649 18.580 2.648
60 H DSG 10 H DAN 10 30.947 19.727 -1.119
61 HA DSG 10 HA DAN 10 29.841 19.367 -3.734
62 HB2 DSG 10 HB1 DAN 10 31.297 21.166 -4.416
63 HB3 DSG 10 HB2 DAN 10 32.134 19.765 -3.649
64 HD21 DSG 10 1HD2 DAN 10 31.846 23.230 -3.673
65 HD22 DSG 10 2HD2 DAN 10 32.555 23.559 -2.119
66 H LYS 11 H LYS 11 29.422 21.803 -1.153
67 HA LYS 11 HA LYS 11 27.939 23.526 -2.860
68 HB2 LYS 11 HB2 LYS 11 26.918 22.478 -0.214
69 HB3 LYS 11 HB1 LYS 11 26.121 23.725 -1.098
70 HG2 LYS 11 HG2 LYS 11 25.951 22.057 -3.166
71 HG3 LYS 11 HG1 LYS 11 26.444 20.891 -1.966
72 HD2 LYS 11 HD2 LYS 11 24.498 21.646 -0.560
73 HD3 LYS 11 HD1 LYS 11 23.767 22.584 -1.810
74 HE2 LYS 11 HE2 LYS 11 23.147 20.787 -3.044
75 HE3 LYS 11 HE1 LYS 11 24.682 19.906 -2.731
76 HZ1 LYS 11 HZ1 LYS 11 22.342 20.176 -0.894
77 HZ2 LYS 11 HZ2 LYS 11 23.687 19.313 -0.510
78 HZ3 LYS 11 HZ3 LYS 11 22.840 18.852 -1.702
79 H TYR 12 H TYR 12 27.522 25.505 -1.570
80 HA TYR 12 HA TYR 12 29.624 26.429 0.203
81 HB2 TYR 12 HB2 TYR 12 27.084 27.668 -0.913
82 HB3 TYR 12 HB1 TYR 12 27.893 28.156 0.567
83 HD1 TYR 12 HD1 TYR 12 29.226 27.275 -2.837
84 HD2 TYR 12 HD2 TYR 12 28.971 30.032 0.416
85 HE1 TYR 12 HE1 TYR 12 31.084 28.737 -3.817
86 HE2 TYR 12 HE2 TYR 12 30.904 31.291 -0.409
87 HH TYR 12 HH TYR 12 32.642 31.334 -2.194
88 H DVA 13 H DVA 13 29.340 27.025 2.414
89 HA DVA 13 HA DVA 13 26.938 26.406 3.731
90 HB DVA 13 HB DVA 13 28.032 27.367 5.770
91 HG11 DVA 13 1HG1 DVA 13 30.042 26.798 6.233
92 HG12 DVA 13 2HG1 DVA 13 30.512 28.298 5.334
93 HG13 DVA 13 3HG1 DVA 13 30.642 26.620 4.650
94 HG21 DVA 13 1HG2 DVA 13 27.432 28.768 3.717
95 HG22 DVA 13 2HG2 DVA 13 29.100 28.978 3.341
96 HG23 DVA 13 3HG2 DVA 13 28.539 29.564 4.925
97 HA DPR 14 HA DPR 14 27.583 22.421 5.195
98 HB2 DPR 14 HB1 DPR 14 25.867 22.104 7.378
99 HB3 DPR 14 HB2 DPR 14 25.350 22.408 5.638
100 HG2 DPR 14 HG1 DPR 14 25.774 24.361 7.879
101 HG3 DPR 14 HG2 DPR 14 24.356 24.211 6.733
102 HD2 DPR 14 HD1 DPR 14 26.434 26.088 6.312
103 HD3 DPR 14 HD2 DPR 14 25.408 25.416 5.053
Start of MODEL 13
1 H1 DCY 1 H1 DCY 1 28.060 21.737 6.903
2 HA DCY 1 HA DCY 1 30.967 21.422 7.372
3 HB2 DCY 1 HB1 DCY 1 28.811 19.349 7.244
4 HB3 DCY 1 HB2 DCY 1 30.037 19.106 8.380
5 H ASN 2 H ASN 2 31.932 20.653 9.349
6 HA ASN 2 HA ASN 2 30.414 21.375 11.719
7 HB2 ASN 2 HB2 ASN 2 33.092 19.927 11.255
8 HB3 ASN 2 HB1 ASN 2 32.225 20.094 12.824
9 HD21 ASN 2 1HD2 ASN 2 32.480 18.135 10.117
10 HD22 ASN 2 2HD2 ASN 2 30.965 17.257 10.370
11 H DVA 3 H DVA 3 32.063 23.304 9.846
12 HA DVA 3 HA DVA 3 32.906 25.161 11.970
13 HB DVA 3 HB DVA 3 31.708 26.917 10.917
14 HG11 DVA 3 1HG1 DVA 3 29.977 24.794 9.549
15 HG12 DVA 3 2HG1 DVA 3 31.065 25.900 8.711
16 HG13 DVA 3 3HG1 DVA 3 29.728 26.583 9.597
17 HG21 DVA 3 1HG2 DVA 3 29.644 26.556 11.985
18 HG22 DVA 3 2HG2 DVA 3 30.922 25.889 12.919
19 HG23 DVA 3 3HG2 DVA 3 29.997 24.739 12.047
20 HA DPR 4 HA DPR 4 36.233 25.844 9.177
21 HB2 DPR 4 HB1 DPR 4 35.805 28.748 8.821
22 HB3 DPR 4 HB2 DPR 4 37.163 27.972 9.703
23 HG2 DPR 4 HG1 DPR 4 35.274 29.306 11.295
24 HG3 DPR 4 HG2 DPR 4 36.046 27.795 11.698
25 HD2 DPR 4 HD1 DPR 4 33.443 28.237 10.298
26 HD3 DPR 4 HD2 DPR 4 33.830 27.295 11.822
27 H ASP 5 H ASP 5 37.107 27.120 7.239
28 HA ASP 5 HA ASP 5 37.287 26.770 5.104
29 HB2 ASP 5 HB2 ASP 5 36.489 24.545 6.261
30 HB3 ASP 5 HB1 ASP 5 35.001 24.753 5.259
31 H VAL 6 H VAL 6 35.644 25.905 3.026
32 HA VAL 6 HA VAL 6 33.706 28.152 2.918
33 HB VAL 6 HB VAL 6 34.307 28.436 0.469
34 HG11 VAL 6 1HG1 VAL 6 34.639 30.077 2.155
35 HG12 VAL 6 2HG1 VAL 6 36.062 30.042 1.060
36 HG13 VAL 6 3HG1 VAL 6 36.175 29.420 2.731
37 HG21 VAL 6 1HG2 VAL 6 36.556 28.051 -0.256
38 HG22 VAL 6 2HG2 VAL 6 36.127 26.483 0.482
39 HG23 VAL 6 3HG2 VAL 6 37.101 27.617 1.399
40 H TYR 7 H TYR 7 34.478 24.760 2.266
41 HA TYR 7 HA TYR 7 31.803 24.439 0.968
42 HB2 TYR 7 HB2 TYR 7 34.595 23.289 0.302
43 HB3 TYR 7 HB1 TYR 7 33.045 22.394 -0.050
44 HD1 TYR 7 HD1 TYR 7 31.555 23.050 -1.795
45 HD2 TYR 7 HD2 TYR 7 35.181 25.103 -1.006
46 HE1 TYR 7 HE1 TYR 7 31.228 24.335 -3.832
47 HE2 TYR 7 HE2 TYR 7 34.961 26.410 -3.198
48 HH TYR 7 HH TYR 7 33.588 26.889 -4.865
49 H CYS 8 H CYS 8 30.712 22.677 1.409
50 HA CYS 8 HA CYS 8 31.964 20.387 2.706
51 HB2 CYS 8 HB2 CYS 8 31.039 21.454 4.663
52 HB3 CYS 8 HB1 CYS 8 29.431 21.661 3.770
53 HA DPR 9 HA DPR 9 28.771 17.968 1.313
54 HB2 DPR 9 HB1 DPR 9 30.885 16.972 -0.668
55 HB3 DPR 9 HB2 DPR 9 29.529 16.059 0.225
56 HG2 DPR 9 HG1 DPR 9 31.860 16.110 1.212
57 HG3 DPR 9 HG2 DPR 9 30.583 16.663 2.375
58 HD2 DPR 9 HD1 DPR 9 32.496 18.492 0.862
59 HD3 DPR 9 HD2 DPR 9 32.033 18.371 2.512
60 H DSG 10 H DAN 10 30.659 19.121 -1.507
61 HA DSG 10 HA DAN 10 28.518 19.109 -3.258
62 HB2 DSG 10 HB1 DAN 10 30.144 19.792 -4.937
63 HB3 DSG 10 HB2 DAN 10 30.651 18.371 -3.990
64 HD21 DSG 10 1HD2 DAN 10 31.645 21.375 -5.060
65 HD22 DSG 10 2HD2 DAN 10 33.014 21.610 -3.915
66 H LYS 11 H LYS 11 28.966 21.454 -1.060
67 HA LYS 11 HA LYS 11 28.374 23.789 -2.742
68 HB2 LYS 11 HB2 LYS 11 26.582 22.598 -0.546
69 HB3 LYS 11 HB1 LYS 11 26.233 24.137 -1.311
70 HG2 LYS 11 HG2 LYS 11 25.801 22.839 -3.539
71 HG3 LYS 11 HG1 LYS 11 26.187 21.396 -2.596
72 HD2 LYS 11 HD2 LYS 11 24.451 21.846 -1.135
73 HD3 LYS 11 HD1 LYS 11 24.097 23.431 -1.891
74 HE2 LYS 11 HE2 LYS 11 23.393 22.280 -3.959
75 HE3 LYS 11 HE1 LYS 11 24.005 20.761 -3.308
76 HZ1 LYS 11 HZ1 LYS 11 21.724 22.423 -2.193
77 HZ2 LYS 11 HZ2 LYS 11 22.234 21.066 -1.531
78 HZ3 LYS 11 HZ3 LYS 11 21.544 21.023 -3.025
79 H TYR 12 H TYR 12 27.680 25.695 -1.274
80 HA TYR 12 HA TYR 12 30.159 26.136 0.190
81 HB2 TYR 12 HB2 TYR 12 28.482 27.677 -1.459
82 HB3 TYR 12 HB1 TYR 12 28.398 28.462 -0.033
83 HD1 TYR 12 HD1 TYR 12 30.542 27.344 -2.731
84 HD2 TYR 12 HD2 TYR 12 30.162 29.766 0.710
85 HE1 TYR 12 HE1 TYR 12 32.393 28.741 -3.536
86 HE2 TYR 12 HE2 TYR 12 32.102 31.272 -0.127
87 HH TYR 12 HH TYR 12 33.780 31.511 -1.780
88 H DVA 13 H DVA 13 30.474 26.806 2.195
89 HA DVA 13 HA DVA 13 28.337 27.415 3.941
90 HB DVA 13 HB DVA 13 29.939 27.850 5.579
91 HG11 DVA 13 1HG1 DVA 13 31.860 26.207 3.961
92 HG12 DVA 13 2HG1 DVA 13 31.479 25.974 5.629
93 HG13 DVA 13 3HG1 DVA 13 32.531 27.355 5.063
94 HG21 DVA 13 1HG2 DVA 13 30.065 29.546 3.713
95 HG22 DVA 13 2HG2 DVA 13 31.367 28.530 2.972
96 HG23 DVA 13 3HG2 DVA 13 31.638 29.325 4.464
97 HA DPR 14 HA DPR 14 27.541 23.355 5.520
98 HB2 DPR 14 HB1 DPR 14 27.591 24.156 8.342
99 HB3 DPR 14 HB2 DPR 14 26.244 23.577 7.361
100 HG2 DPR 14 HG1 DPR 14 26.632 26.316 8.161
101 HG3 DPR 14 HG2 DPR 14 25.655 25.778 6.786
102 HD2 DPR 14 HD1 DPR 14 28.385 26.953 6.898
103 HD3 DPR 14 HD2 DPR 14 27.113 26.985 5.522
Start of MODEL 14
1 H1 DCY 1 H1 DCY 1 27.967 21.439 7.074
2 HA DCY 1 HA DCY 1 30.961 21.451 7.426
3 HB2 DCY 1 HB1 DCY 1 28.850 19.229 7.654
4 HB3 DCY 1 HB2 DCY 1 30.591 19.104 8.007
5 H ASN 2 H ASN 2 31.960 20.871 9.423
6 HA ASN 2 HA ASN 2 30.280 21.822 11.551
7 HB2 ASN 2 HB2 ASN 2 32.706 20.096 11.978
8 HB3 ASN 2 HB1 ASN 2 31.486 20.465 13.197
9 HD21 ASN 2 1HD2 ASN 2 29.476 19.125 13.325
10 HD22 ASN 2 2HD2 ASN 2 29.415 17.787 12.282
11 H DVA 3 H DVA 3 32.256 23.133 9.691
12 HA DVA 3 HA DVA 3 33.345 24.865 11.811
13 HB DVA 3 HB DVA 3 32.049 26.811 10.976
14 HG11 DVA 3 1HG1 DVA 3 31.694 26.037 8.661
15 HG12 DVA 3 2HG1 DVA 3 30.215 26.494 9.469
16 HG13 DVA 3 3HG1 DVA 3 30.524 24.826 9.132
17 HG21 DVA 3 1HG2 DVA 3 30.006 24.707 11.559
18 HG22 DVA 3 2HG2 DVA 3 30.079 26.383 12.093
19 HG23 DVA 3 3HG2 DVA 3 31.115 25.233 12.865
20 HA DPR 4 HA DPR 4 36.522 26.065 9.216
21 HB2 DPR 4 HB1 DPR 4 35.745 29.040 9.319
22 HB3 DPR 4 HB2 DPR 4 37.348 28.299 9.591
23 HG2 DPR 4 HG1 DPR 4 35.932 29.066 11.788
24 HG3 DPR 4 HG2 DPR 4 36.660 27.501 11.793
25 HD2 DPR 4 HD1 DPR 4 33.779 27.933 11.175
26 HD3 DPR 4 HD2 DPR 4 34.461 26.806 12.182
27 H ASP 5 H ASP 5 37.156 26.229 7.321
28 HA ASP 5 HA ASP 5 37.129 26.062 5.103
29 HB2 ASP 5 HB2 ASP 5 35.572 24.166 6.285
30 HB3 ASP 5 HB1 ASP 5 34.574 24.782 4.997
31 H VAL 6 H VAL 6 34.950 25.699 3.392
32 HA VAL 6 HA VAL 6 33.559 28.083 3.011
33 HB VAL 6 HB VAL 6 34.134 28.376 0.628
34 HG11 VAL 6 1HG1 VAL 6 34.560 30.001 2.499
35 HG12 VAL 6 2HG1 VAL 6 35.865 30.155 1.253
36 HG13 VAL 6 3HG1 VAL 6 36.246 29.276 2.670
37 HG21 VAL 6 1HG2 VAL 6 35.640 26.691 0.170
38 HG22 VAL 6 2HG2 VAL 6 36.738 27.184 1.619
39 HG23 VAL 6 3HG2 VAL 6 36.623 28.177 0.219
40 H TYR 7 H TYR 7 34.283 24.786 1.938
41 HA TYR 7 HA TYR 7 31.484 24.650 0.976
42 HB2 TYR 7 HB2 TYR 7 33.740 22.895 0.219
43 HB3 TYR 7 HB1 TYR 7 32.131 22.737 -0.456
44 HD1 TYR 7 HD1 TYR 7 31.348 24.402 -2.117
45 HD2 TYR 7 HD2 TYR 7 35.410 24.418 -0.596
46 HE1 TYR 7 HE1 TYR 7 32.277 25.751 -4.121
47 HE2 TYR 7 HE2 TYR 7 36.096 25.906 -2.427
48 HH TYR 7 HH TYR 7 35.524 26.833 -4.388
49 H CYS 8 H CYS 8 30.448 22.745 1.311
50 HA CYS 8 HA CYS 8 31.542 20.478 2.925
51 HB2 CYS 8 HB2 CYS 8 30.330 21.877 4.540
52 HB3 CYS 8 HB1 CYS 8 28.914 21.901 3.411
53 HA DPR 9 HA DPR 9 28.418 18.025 1.029
54 HB2 DPR 9 HB1 DPR 9 30.914 16.541 -0.015
55 HB3 DPR 9 HB2 DPR 9 29.236 15.889 0.422
56 HG2 DPR 9 HG1 DPR 9 31.315 16.007 2.272
57 HG3 DPR 9 HG2 DPR 9 29.614 16.451 2.579
58 HD2 DPR 9 HD1 DPR 9 32.081 18.208 1.570
59 HD3 DPR 9 HD2 DPR 9 31.196 18.374 3.110
60 H DSG 10 H DAN 10 31.025 19.310 -1.085
61 HA DSG 10 HA DAN 10 29.188 19.301 -3.297
62 HB2 DSG 10 HB1 DAN 10 31.133 20.200 -4.583
63 HB3 DSG 10 HB2 DAN 10 31.431 18.749 -3.782
64 HD21 DSG 10 1HD2 DAN 10 33.415 20.467 -4.911
65 HD22 DSG 10 2HD2 DAN 10 34.473 20.740 -3.480
66 H LYS 11 H LYS 11 28.771 21.486 -0.812
67 HA LYS 11 HA LYS 11 28.214 23.722 -2.636
68 HB2 LYS 11 HB2 LYS 11 26.554 21.786 -1.216
69 HB3 LYS 11 HB1 LYS 11 26.207 23.403 -0.555
70 HG2 LYS 11 HG2 LYS 11 24.662 22.711 -2.350
71 HG3 LYS 11 HG1 LYS 11 25.568 24.077 -2.813
72 HD2 LYS 11 HD2 LYS 11 26.797 21.548 -3.578
73 HD3 LYS 11 HD1 LYS 11 25.114 21.796 -4.269
74 HE2 LYS 11 HE2 LYS 11 25.725 23.909 -5.043
75 HE3 LYS 11 HE1 LYS 11 27.411 23.643 -4.487
76 HZ1 LYS 11 HZ1 LYS 11 27.301 23.217 -6.827
77 HZ2 LYS 11 HZ2 LYS 11 26.027 22.172 -6.692
78 HZ3 LYS 11 HZ3 LYS 11 27.522 21.834 -6.061
79 H TYR 12 H TYR 12 28.104 25.729 -1.620
80 HA TYR 12 HA TYR 12 30.207 26.303 -0.090
81 HB2 TYR 12 HB2 TYR 12 28.309 27.611 -1.462
82 HB3 TYR 12 HB1 TYR 12 28.031 28.314 0.176
83 HD1 TYR 12 HD1 TYR 12 30.614 27.614 -2.468
84 HD2 TYR 12 HD2 TYR 12 29.511 30.061 0.915
85 HE1 TYR 12 HE1 TYR 12 32.660 28.981 -2.721
86 HE2 TYR 12 HE2 TYR 12 31.505 31.515 0.518
87 HH TYR 12 HH TYR 12 33.570 31.564 -0.619
88 H DVA 13 H DVA 13 30.692 26.613 2.148
89 HA DVA 13 HA DVA 13 28.410 27.230 3.872
90 HB DVA 13 HB DVA 13 29.858 27.691 5.695
91 HG11 DVA 13 1HG1 DVA 13 31.169 25.686 5.647
92 HG12 DVA 13 2HG1 DVA 13 32.297 26.983 5.689
93 HG13 DVA 13 3HG1 DVA 13 32.010 26.122 4.165
94 HG21 DVA 13 1HG2 DVA 13 31.400 28.608 3.235
95 HG22 DVA 13 2HG2 DVA 13 31.320 29.365 4.742
96 HG23 DVA 13 3HG2 DVA 13 29.815 29.264 3.804
97 HA DPR 14 HA DPR 14 27.716 23.173 5.268
98 HB2 DPR 14 HB1 DPR 14 26.831 23.529 7.820
99 HB3 DPR 14 HB2 DPR 14 25.775 23.523 6.413
100 HG2 DPR 14 HG1 DPR 14 26.501 25.770 7.986
101 HG3 DPR 14 HG2 DPR 14 25.474 25.709 6.453
102 HD2 DPR 14 HD1 DPR 14 28.319 26.368 7.046
103 HD3 DPR 14 HD2 DPR 14 27.348 27.119 5.683
Start of MODEL 15
1 H1 DCY 1 H1 DCY 1 28.489 21.448 6.332
2 HA DCY 1 HA DCY 1 31.004 21.034 7.253
3 HB2 DCY 1 HB1 DCY 1 28.569 19.382 7.441
4 HB3 DCY 1 HB2 DCY 1 29.991 18.914 8.362
5 H ASN 2 H ASN 2 32.164 20.889 9.365
6 HA ASN 2 HA ASN 2 30.749 21.212 11.831
7 HB2 ASN 2 HB2 ASN 2 33.670 21.180 11.105
8 HB3 ASN 2 HB1 ASN 2 32.968 21.235 12.728
9 HD21 ASN 2 1HD2 ASN 2 30.986 19.541 12.988
10 HD22 ASN 2 2HD2 ASN 2 31.323 17.958 12.418
11 H DVA 3 H DVA 3 31.794 23.656 9.533
12 HA DVA 3 HA DVA 3 32.664 25.438 11.605
13 HB DVA 3 HB DVA 3 31.470 27.334 10.875
14 HG11 DVA 3 1HG1 DVA 3 31.658 27.004 8.517
15 HG12 DVA 3 2HG1 DVA 3 30.091 27.623 9.041
16 HG13 DVA 3 3HG1 DVA 3 30.328 25.888 8.510
17 HG21 DVA 3 1HG2 DVA 3 29.330 26.940 11.496
18 HG22 DVA 3 2HG2 DVA 3 29.976 25.448 12.136
19 HG23 DVA 3 3HG2 DVA 3 29.209 25.417 10.548
20 HA DPR 4 HA DPR 4 36.183 26.368 9.536
21 HB2 DPR 4 HB1 DPR 4 35.576 29.205 8.946
22 HB3 DPR 4 HB2 DPR 4 37.029 28.473 9.621
23 HG2 DPR 4 HG1 DPR 4 35.032 29.584 11.243
24 HG3 DPR 4 HG2 DPR 4 36.078 28.233 11.782
25 HD2 DPR 4 HD1 DPR 4 33.232 28.291 10.829
26 HD3 DPR 4 HD2 DPR 4 34.054 27.237 12.021
27 H ASP 5 H ASP 5 37.265 26.444 7.579
28 HA ASP 5 HA ASP 5 37.489 26.026 5.435
29 HB2 ASP 5 HB2 ASP 5 35.872 24.270 6.737
30 HB3 ASP 5 HB1 ASP 5 34.771 24.751 5.521
31 H VAL 6 H VAL 6 35.581 25.433 3.424
32 HA VAL 6 HA VAL 6 34.194 27.873 2.910
33 HB VAL 6 HB VAL 6 34.990 27.487 0.351
34 HG11 VAL 6 1HG1 VAL 6 36.605 28.983 2.351
35 HG12 VAL 6 2HG1 VAL 6 35.111 29.562 1.559
36 HG13 VAL 6 3HG1 VAL 6 36.526 29.290 0.556
37 HG21 VAL 6 1HG2 VAL 6 36.405 25.565 0.996
38 HG22 VAL 6 2HG2 VAL 6 37.602 26.732 1.732
39 HG23 VAL 6 3HG2 VAL 6 37.066 26.712 0.024
40 H TYR 7 H TYR 7 34.597 24.417 2.189
41 HA TYR 7 HA TYR 7 31.712 24.379 1.424
42 HB2 TYR 7 HB2 TYR 7 32.294 23.254 -0.834
43 HB3 TYR 7 HB1 TYR 7 32.459 25.040 -0.553
44 HD1 TYR 7 HD1 TYR 7 34.252 26.109 -1.378
45 HD2 TYR 7 HD2 TYR 7 34.486 21.883 -0.651
46 HE1 TYR 7 HE1 TYR 7 36.442 26.050 -2.556
47 HE2 TYR 7 HE2 TYR 7 36.769 21.848 -1.599
48 HH TYR 7 HH TYR 7 38.273 23.132 -2.912
49 H CYS 8 H CYS 8 30.650 22.272 1.138
50 HA CYS 8 HA CYS 8 32.075 19.973 2.034
51 HB2 CYS 8 HB2 CYS 8 31.775 20.561 4.292
52 HB3 CYS 8 HB1 CYS 8 30.458 21.587 3.923
53 HA DPR 9 HA DPR 9 28.172 18.339 0.950
54 HB2 DPR 9 HB1 DPR 9 28.939 16.260 -0.837
55 HB3 DPR 9 HB2 DPR 9 28.700 16.162 0.947
56 HG2 DPR 9 HG1 DPR 9 31.193 16.443 -0.698
57 HG3 DPR 9 HG2 DPR 9 31.073 15.551 0.759
58 HD2 DPR 9 HD1 DPR 9 32.142 18.125 0.725
59 HD3 DPR 9 HD2 DPR 9 31.231 17.534 2.135
60 H DSG 10 H DAN 10 30.625 19.375 -1.402
61 HA DSG 10 HA DAN 10 28.909 19.726 -3.597
62 HB2 DSG 10 HB1 DAN 10 30.936 20.708 -4.550
63 HB3 DSG 10 HB2 DAN 10 31.419 19.253 -3.792
64 HD21 DSG 10 1HD2 DAN 10 32.485 22.322 -4.143
65 HD22 DSG 10 2HD2 DAN 10 33.384 22.421 -2.603
66 H LYS 11 H LYS 11 28.695 21.384 -0.911
67 HA LYS 11 HA LYS 11 27.917 23.854 -2.356
68 HB2 LYS 11 HB2 LYS 11 26.463 22.450 -0.068
69 HB3 LYS 11 HB1 LYS 11 26.167 24.044 -0.662
70 HG2 LYS 11 HG2 LYS 11 25.331 23.167 -2.712
71 HG3 LYS 11 HG1 LYS 11 25.692 21.495 -2.222
72 HD2 LYS 11 HD2 LYS 11 24.134 21.513 -0.413
73 HD3 LYS 11 HD1 LYS 11 23.746 23.223 -0.653
74 HE2 LYS 11 HE2 LYS 11 22.671 22.686 -2.745
75 HE3 LYS 11 HE1 LYS 11 23.009 21.056 -2.706
76 HZ1 LYS 11 HZ1 LYS 11 20.842 21.565 -1.845
77 HZ2 LYS 11 HZ2 LYS 11 21.459 22.464 -0.626
78 HZ3 LYS 11 HZ3 LYS 11 21.773 20.856 -0.669
79 H TYR 12 H TYR 12 27.724 25.691 -0.949
80 HA TYR 12 HA TYR 12 30.288 25.941 0.452
81 HB2 TYR 12 HB2 TYR 12 28.742 27.673 -1.291
82 HB3 TYR 12 HB1 TYR 12 29.237 28.409 0.140
83 HD1 TYR 12 HD1 TYR 12 30.330 26.613 -2.843
84 HD2 TYR 12 HD2 TYR 12 31.583 29.006 0.433
85 HE1 TYR 12 HE1 TYR 12 32.441 27.012 -4.099
86 HE2 TYR 12 HE2 TYR 12 33.711 29.642 -0.977
87 HH TYR 12 HH TYR 12 35.004 29.000 -2.747
88 H DVA 13 H DVA 13 30.613 26.651 2.469
89 HA DVA 13 HA DVA 13 28.364 27.170 4.357
90 HB DVA 13 HB DVA 13 30.066 27.524 5.861
91 HG11 DVA 13 1HG1 DVA 13 32.421 27.791 4.460
92 HG12 DVA 13 2HG1 DVA 13 32.063 26.068 4.284
93 HG13 DVA 13 3HG1 DVA 13 32.029 26.782 5.851
94 HG21 DVA 13 1HG2 DVA 13 29.146 29.341 4.554
95 HG22 DVA 13 2HG2 DVA 13 30.637 29.119 3.539
96 HG23 DVA 13 3HG2 DVA 13 30.727 29.628 5.224
97 HA DPR 14 HA DPR 14 27.526 23.065 5.773
98 HB2 DPR 14 HB1 DPR 14 27.386 23.519 8.345
99 HB3 DPR 14 HB2 DPR 14 26.141 24.008 7.074
100 HG2 DPR 14 HG1 DPR 14 28.084 25.720 8.586
101 HG3 DPR 14 HG2 DPR 14 26.330 26.022 8.229
102 HD2 DPR 14 HD1 DPR 14 28.130 27.052 6.523
103 HD3 DPR 14 HD2 DPR 14 26.610 26.304 5.991
Start of MODEL 16
1 H1 DCY 1 H1 DCY 1 28.340 21.135 7.201
2 HA DCY 1 HA DCY 1 31.186 21.369 7.439
3 HB2 DCY 1 HB1 DCY 1 29.168 19.110 7.805
4 HB3 DCY 1 HB2 DCY 1 30.776 19.108 8.457
5 H ASN 2 H ASN 2 32.266 21.434 9.392
6 HA ASN 2 HA ASN 2 30.647 21.818 11.766
7 HB2 ASN 2 HB2 ASN 2 33.258 20.443 11.538
8 HB3 ASN 2 HB1 ASN 2 32.478 20.941 13.115
9 HD21 ASN 2 1HD2 ASN 2 30.138 20.081 13.463
10 HD22 ASN 2 2HD2 ASN 2 29.994 18.396 12.954
11 H DVA 3 H DVA 3 31.436 23.895 10.037
12 HA DVA 3 HA DVA 3 32.790 25.752 11.777
13 HB DVA 3 HB DVA 3 31.488 27.485 10.709
14 HG11 DVA 3 1HG1 DVA 3 29.991 27.137 8.977
15 HG12 DVA 3 2HG1 DVA 3 29.934 25.392 9.194
16 HG13 DVA 3 3HG1 DVA 3 31.427 26.210 8.478
17 HG21 DVA 3 1HG2 DVA 3 30.702 25.849 12.547
18 HG22 DVA 3 2HG2 DVA 3 29.505 25.267 11.314
19 HG23 DVA 3 3HG2 DVA 3 29.541 26.981 11.658
20 HA DPR 4 HA DPR 4 36.307 26.411 9.381
21 HB2 DPR 4 HB1 DPR 4 35.326 29.298 8.893
22 HB3 DPR 4 HB2 DPR 4 36.977 28.817 9.245
23 HG2 DPR 4 HG1 DPR 4 35.283 29.804 11.235
24 HG3 DPR 4 HG2 DPR 4 36.219 28.397 11.689
25 HD2 DPR 4 HD1 DPR 4 33.410 28.607 10.644
26 HD3 DPR 4 HD2 DPR 4 34.155 27.676 11.993
27 H ASP 5 H ASP 5 37.194 26.517 7.537
28 HA ASP 5 HA ASP 5 37.389 26.112 5.311
29 HB2 ASP 5 HB2 ASP 5 36.260 24.067 6.557
30 HB3 ASP 5 HB1 ASP 5 34.956 24.528 5.384
31 H VAL 6 H VAL 6 35.619 25.492 3.185
32 HA VAL 6 HA VAL 6 33.663 27.620 3.058
33 HB VAL 6 HB VAL 6 35.223 27.231 0.558
34 HG11 VAL 6 1HG1 VAL 6 33.948 29.405 2.198
35 HG12 VAL 6 2HG1 VAL 6 33.440 28.634 0.648
36 HG13 VAL 6 3HG1 VAL 6 34.926 29.715 0.714
37 HG21 VAL 6 1HG2 VAL 6 37.040 27.441 2.346
38 HG22 VAL 6 2HG2 VAL 6 36.341 28.987 2.773
39 HG23 VAL 6 3HG2 VAL 6 37.056 28.724 1.125
40 H TYR 7 H TYR 7 34.498 24.298 2.434
41 HA TYR 7 HA TYR 7 31.866 24.164 1.046
42 HB2 TYR 7 HB2 TYR 7 34.322 22.550 0.434
43 HB3 TYR 7 HB1 TYR 7 32.742 22.352 -0.365
44 HD1 TYR 7 HD1 TYR 7 31.845 23.937 -1.978
45 HD2 TYR 7 HD2 TYR 7 35.762 24.386 -0.301
46 HE1 TYR 7 HE1 TYR 7 32.304 25.460 -3.770
47 HE2 TYR 7 HE2 TYR 7 36.195 26.119 -2.002
48 HH TYR 7 HH TYR 7 35.417 27.330 -3.966
49 H CYS 8 H CYS 8 30.431 22.517 1.275
50 HA CYS 8 HA CYS 8 31.466 20.175 2.567
51 HB2 CYS 8 HB2 CYS 8 30.579 21.553 4.436
52 HB3 CYS 8 HB1 CYS 8 29.032 21.633 3.799
53 HA DPR 9 HA DPR 9 28.005 18.274 0.446
54 HB2 DPR 9 HB1 DPR 9 30.202 16.568 -0.867
55 HB3 DPR 9 HB2 DPR 9 28.636 16.060 -0.246
56 HG2 DPR 9 HG1 DPR 9 30.886 15.775 1.127
57 HG3 DPR 9 HG2 DPR 9 29.312 15.954 1.904
58 HD2 DPR 9 HD1 DPR 9 31.565 17.857 1.539
59 HD3 DPR 9 HD2 DPR 9 30.269 17.839 2.835
60 H DSG 10 H DAN 10 30.697 19.372 -1.512
61 HA DSG 10 HA DAN 10 28.937 19.573 -3.766
62 HB2 DSG 10 HB1 DAN 10 30.840 20.293 -5.097
63 HB3 DSG 10 HB2 DAN 10 31.234 19.025 -3.964
64 HD21 DSG 10 1HD2 DAN 10 32.521 21.630 -5.403
65 HD22 DSG 10 2HD2 DAN 10 33.226 22.495 -4.008
66 H LYS 11 H LYS 11 29.321 21.656 -1.236
67 HA LYS 11 HA LYS 11 28.060 24.070 -2.576
68 HB2 LYS 11 HB2 LYS 11 26.862 22.236 -0.495
69 HB3 LYS 11 HB1 LYS 11 26.228 23.864 -0.991
70 HG2 LYS 11 HG2 LYS 11 26.657 22.199 -3.287
71 HG3 LYS 11 HG1 LYS 11 25.846 21.212 -1.988
72 HD2 LYS 11 HD2 LYS 11 24.140 23.093 -1.880
73 HD3 LYS 11 HD1 LYS 11 24.928 23.845 -3.205
74 HE2 LYS 11 HE2 LYS 11 24.301 21.815 -4.647
75 HE3 LYS 11 HE1 LYS 11 23.775 21.031 -3.115
76 HZ1 LYS 11 HZ1 LYS 11 21.972 22.141 -4.381
77 HZ2 LYS 11 HZ2 LYS 11 22.662 23.658 -4.040
78 HZ3 LYS 11 HZ3 LYS 11 22.133 22.774 -2.897
79 H TYR 12 H TYR 12 27.670 25.755 -1.172
80 HA TYR 12 HA TYR 12 30.074 26.244 0.315
81 HB2 TYR 12 HB2 TYR 12 28.218 27.747 -1.146
82 HB3 TYR 12 HB1 TYR 12 28.173 28.460 0.435
83 HD1 TYR 12 HD1 TYR 12 30.332 27.580 -2.443
84 HD2 TYR 12 HD2 TYR 12 29.789 30.041 1.035
85 HE1 TYR 12 HE1 TYR 12 32.211 29.058 -3.204
86 HE2 TYR 12 HE2 TYR 12 31.597 31.497 0.282
87 HH TYR 12 HH TYR 12 33.204 31.875 -1.392
88 H DVA 13 H DVA 13 30.646 26.385 2.359
89 HA DVA 13 HA DVA 13 28.606 26.974 4.354
90 HB DVA 13 HB DVA 13 30.509 27.036 5.963
91 HG11 DVA 13 1HG1 DVA 13 32.734 26.292 5.350
92 HG12 DVA 13 2HG1 DVA 13 31.917 25.385 3.964
93 HG13 DVA 13 3HG1 DVA 13 31.575 25.104 5.681
94 HG21 DVA 13 1HG2 DVA 13 31.198 28.261 3.270
95 HG22 DVA 13 2HG2 DVA 13 31.976 28.789 4.827
96 HG23 DVA 13 3HG2 DVA 13 30.283 28.900 4.613
97 HA DPR 14 HA DPR 14 27.731 22.765 5.379
98 HB2 DPR 14 HB1 DPR 14 26.947 22.898 7.942
99 HB3 DPR 14 HB2 DPR 14 25.985 23.782 6.590
100 HG2 DPR 14 HG1 DPR 14 27.872 25.099 8.458
101 HG3 DPR 14 HG2 DPR 14 26.215 25.546 7.913
102 HD2 DPR 14 HD1 DPR 14 28.301 26.614 6.698
103 HD3 DPR 14 HD2 DPR 14 26.922 26.160 5.736
Start of MODEL 17
1 H1 DCY 1 H1 DCY 1 28.963 21.116 6.094
2 HA DCY 1 HA DCY 1 31.234 21.219 7.467
3 HB2 DCY 1 HB1 DCY 1 28.999 19.310 7.378
4 HB3 DCY 1 HB2 DCY 1 30.559 18.950 8.332
5 H ASN 2 H ASN 2 32.040 21.282 9.478
6 HA ASN 2 HA ASN 2 30.586 21.335 11.985
7 HB2 ASN 2 HB2 ASN 2 33.493 21.101 11.605
8 HB3 ASN 2 HB1 ASN 2 32.451 20.774 13.066
9 HD21 ASN 2 1HD2 ASN 2 33.555 19.253 10.020
10 HD22 ASN 2 2HD2 ASN 2 32.964 17.711 10.616
11 H DVA 3 H DVA 3 31.736 23.666 9.736
12 HA DVA 3 HA DVA 3 32.539 25.610 11.793
13 HB DVA 3 HB DVA 3 31.661 27.437 10.238
14 HG11 DVA 3 1HG1 DVA 3 31.458 26.124 8.271
15 HG12 DVA 3 2HG1 DVA 3 29.922 26.825 8.610
16 HG13 DVA 3 3HG1 DVA 3 30.218 25.085 8.957
17 HG21 DVA 3 1HG2 DVA 3 29.586 25.577 11.458
18 HG22 DVA 3 2HG2 DVA 3 29.522 27.356 11.145
19 HG23 DVA 3 3HG2 DVA 3 30.598 26.685 12.419
20 HA DPR 4 HA DPR 4 36.374 25.984 9.549
21 HB2 DPR 4 HB1 DPR 4 35.618 28.701 8.994
22 HB3 DPR 4 HB2 DPR 4 37.259 28.139 9.456
23 HG2 DPR 4 HG1 DPR 4 35.532 29.259 11.300
24 HG3 DPR 4 HG2 DPR 4 36.487 27.790 11.721
25 HD2 DPR 4 HD1 DPR 4 33.571 28.169 10.885
26 HD3 DPR 4 HD2 DPR 4 34.246 27.036 12.130
27 H ASP 5 H ASP 5 37.162 26.150 7.462
28 HA ASP 5 HA ASP 5 37.197 25.893 5.098
29 HB2 ASP 5 HB2 ASP 5 35.784 23.981 6.412
30 HB3 ASP 5 HB1 ASP 5 34.672 24.382 5.110
31 H VAL 6 H VAL 6 35.594 25.611 3.218
32 HA VAL 6 HA VAL 6 33.788 27.896 2.984
33 HB VAL 6 HB VAL 6 34.603 28.643 0.729
34 HG11 VAL 6 1HG1 VAL 6 36.830 28.905 2.702
35 HG12 VAL 6 2HG1 VAL 6 35.255 29.543 2.989
36 HG13 VAL 6 3HG1 VAL 6 36.107 29.929 1.436
37 HG21 VAL 6 1HG2 VAL 6 35.846 26.603 0.058
38 HG22 VAL 6 2HG2 VAL 6 36.922 26.869 1.441
39 HG23 VAL 6 3HG2 VAL 6 36.741 28.167 0.087
40 H TYR 7 H TYR 7 34.567 24.649 2.327
41 HA TYR 7 HA TYR 7 31.904 24.387 1.013
42 HB2 TYR 7 HB2 TYR 7 34.614 23.333 0.279
43 HB3 TYR 7 HB1 TYR 7 33.282 22.370 -0.044
44 HD1 TYR 7 HD1 TYR 7 31.419 24.408 -1.298
45 HD2 TYR 7 HD2 TYR 7 35.587 24.039 -1.600
46 HE1 TYR 7 HE1 TYR 7 31.363 25.660 -3.551
47 HE2 TYR 7 HE2 TYR 7 35.616 25.244 -3.697
48 HH TYR 7 HH TYR 7 34.401 26.264 -5.324
49 H CYS 8 H CYS 8 30.691 22.626 1.454
50 HA CYS 8 HA CYS 8 31.890 20.144 2.519
51 HB2 CYS 8 HB2 CYS 8 30.913 21.356 4.520
52 HB3 CYS 8 HB1 CYS 8 29.373 21.371 3.619
53 HA DPR 9 HA DPR 9 28.344 18.216 0.873
54 HB2 DPR 9 HB1 DPR 9 29.536 16.310 -0.780
55 HB3 DPR 9 HB2 DPR 9 29.465 16.178 0.970
56 HG2 DPR 9 HG1 DPR 9 31.662 17.339 -0.741
57 HG3 DPR 9 HG2 DPR 9 31.808 16.100 0.575
58 HD2 DPR 9 HD1 DPR 9 32.293 18.704 0.941
59 HD3 DPR 9 HD2 DPR 9 31.370 17.878 2.285
60 H DSG 10 H DAN 10 30.619 19.423 -1.536
61 HA DSG 10 HA DAN 10 28.638 19.616 -3.688
62 HB2 DSG 10 HB1 DAN 10 30.508 20.202 -4.974
63 HB3 DSG 10 HB2 DAN 10 30.875 18.815 -3.947
64 HD21 DSG 10 1HD2 DAN 10 32.156 21.336 -5.280
65 HD22 DSG 10 2HD2 DAN 10 33.120 22.092 -3.979
66 H LYS 11 H LYS 11 28.751 21.455 -1.107
67 HA LYS 11 HA LYS 11 27.650 23.849 -2.538
68 HB2 LYS 11 HB2 LYS 11 26.403 22.306 -0.166
69 HB3 LYS 11 HB1 LYS 11 26.081 23.942 -0.537
70 HG2 LYS 11 HG2 LYS 11 24.361 22.950 -1.410
71 HG3 LYS 11 HG1 LYS 11 25.300 23.192 -2.847
72 HD2 LYS 11 HD2 LYS 11 26.183 20.730 -2.531
73 HD3 LYS 11 HD1 LYS 11 24.932 20.553 -1.400
74 HE2 LYS 11 HE2 LYS 11 23.409 21.706 -3.454
75 HE3 LYS 11 HE1 LYS 11 24.715 21.331 -4.313
76 HZ1 LYS 11 HZ1 LYS 11 23.027 19.441 -4.211
77 HZ2 LYS 11 HZ2 LYS 11 23.164 19.369 -2.674
78 HZ3 LYS 11 HZ3 LYS 11 24.495 19.021 -3.768
79 H TYR 12 H TYR 12 27.759 25.760 -1.413
80 HA TYR 12 HA TYR 12 30.165 26.193 0.034
81 HB2 TYR 12 HB2 TYR 12 28.367 27.737 -1.440
82 HB3 TYR 12 HB1 TYR 12 28.288 28.496 0.029
83 HD1 TYR 12 HD1 TYR 12 30.494 27.455 -2.776
84 HD2 TYR 12 HD2 TYR 12 30.246 29.810 0.804
85 HE1 TYR 12 HE1 TYR 12 32.511 28.509 -3.412
86 HE2 TYR 12 HE2 TYR 12 32.269 30.876 0.245
87 HH TYR 12 HH TYR 12 33.961 31.078 -1.247
88 H DVA 13 H DVA 13 30.657 26.624 2.122
89 HA DVA 13 HA DVA 13 28.575 27.168 4.009
90 HB DVA 13 HB DVA 13 30.153 27.413 5.669
91 HG11 DVA 13 1HG1 DVA 13 32.162 25.757 4.094
92 HG12 DVA 13 2HG1 DVA 13 31.468 25.534 5.685
93 HG13 DVA 13 3HG1 DVA 13 32.615 26.854 5.443
94 HG21 DVA 13 1HG2 DVA 13 31.586 28.349 3.247
95 HG22 DVA 13 2HG2 DVA 13 31.710 29.072 4.833
96 HG23 DVA 13 3HG2 DVA 13 30.148 29.171 4.049
97 HA DPR 14 HA DPR 14 27.544 23.223 5.473
98 HB2 DPR 14 HB1 DPR 14 27.670 24.161 8.418
99 HB3 DPR 14 HB2 DPR 14 26.434 23.277 7.466
100 HG2 DPR 14 HG1 DPR 14 26.351 25.892 7.949
101 HG3 DPR 14 HG2 DPR 14 25.566 24.981 6.660
102 HD2 DPR 14 HD1 DPR 14 28.024 26.848 6.644
103 HD3 DPR 14 HD2 DPR 14 26.903 26.398 5.283
Start of MODEL 18
1 H1 DCY 1 H1 DCY 1 28.063 21.057 7.100
2 HA DCY 1 HA DCY 1 30.989 21.212 7.302
3 HB2 DCY 1 HB1 DCY 1 29.021 19.012 7.607
4 HB3 DCY 1 HB2 DCY 1 30.665 18.737 8.156
5 H ASN 2 H ASN 2 32.074 21.412 9.036
6 HA ASN 2 HA ASN 2 30.540 22.046 11.491
7 HB2 ASN 2 HB2 ASN 2 33.167 20.474 11.497
8 HB3 ASN 2 HB1 ASN 2 32.062 20.849 12.876
9 HD21 ASN 2 1HD2 ASN 2 30.036 19.539 12.868
10 HD22 ASN 2 2HD2 ASN 2 29.851 18.098 11.916
11 H DVA 3 H DVA 3 31.080 24.024 9.747
12 HA DVA 3 HA DVA 3 32.543 25.772 11.606
13 HB DVA 3 HB DVA 3 31.979 27.498 10.086
14 HG11 DVA 3 1HG1 DVA 3 30.254 25.489 8.565
15 HG12 DVA 3 2HG1 DVA 3 31.823 26.034 8.069
16 HG13 DVA 3 3HG1 DVA 3 30.529 27.221 8.164
17 HG21 DVA 3 1HG2 DVA 3 30.472 27.205 11.973
18 HG22 DVA 3 2HG2 DVA 3 29.561 25.905 11.082
19 HG23 DVA 3 3HG2 DVA 3 29.571 27.575 10.545
20 HA DPR 4 HA DPR 4 36.434 26.302 9.580
21 HB2 DPR 4 HB1 DPR 4 35.438 29.242 9.343
22 HB3 DPR 4 HB2 DPR 4 37.143 28.511 9.677
23 HG2 DPR 4 HG1 DPR 4 35.574 29.335 11.732
24 HG3 DPR 4 HG2 DPR 4 36.452 27.815 11.763
25 HD2 DPR 4 HD1 DPR 4 33.549 28.321 10.986
26 HD3 DPR 4 HD2 DPR 4 34.225 27.259 12.207
27 H ASP 5 H ASP 5 37.393 26.601 7.497
28 HA ASP 5 HA ASP 5 37.447 26.443 5.284
29 HB2 ASP 5 HB2 ASP 5 36.104 24.408 6.573
30 HB3 ASP 5 HB1 ASP 5 34.984 24.785 5.311
31 H VAL 6 H VAL 6 35.532 25.643 3.518
32 HA VAL 6 HA VAL 6 34.006 28.043 2.613
33 HB VAL 6 HB VAL 6 35.152 27.573 0.327
34 HG11 VAL 6 1HG1 VAL 6 37.237 28.715 0.855
35 HG12 VAL 6 2HG1 VAL 6 36.833 28.578 2.636
36 HG13 VAL 6 3HG1 VAL 6 35.779 29.417 1.436
37 HG21 VAL 6 1HG2 VAL 6 37.268 26.233 2.013
38 HG22 VAL 6 2HG2 VAL 6 37.361 26.619 0.285
39 HG23 VAL 6 3HG2 VAL 6 36.229 25.353 0.975
40 H TYR 7 H TYR 7 34.589 24.526 2.425
41 HA TYR 7 HA TYR 7 32.107 24.341 0.870
42 HB2 TYR 7 HB2 TYR 7 34.839 23.129 0.717
43 HB3 TYR 7 HB1 TYR 7 33.542 22.459 -0.244
44 HD1 TYR 7 HD1 TYR 7 31.930 24.354 -1.101
45 HD2 TYR 7 HD2 TYR 7 36.228 24.228 -1.150
46 HE1 TYR 7 HE1 TYR 7 31.876 25.902 -3.102
47 HE2 TYR 7 HE2 TYR 7 36.177 25.902 -3.105
48 HH TYR 7 HH TYR 7 34.949 26.918 -4.664
49 H CYS 8 H CYS 8 30.710 22.590 1.314
50 HA CYS 8 HA CYS 8 31.703 20.216 2.652
51 HB2 CYS 8 HB2 CYS 8 30.607 21.544 4.379
52 HB3 CYS 8 HB1 CYS 8 29.259 21.699 3.269
53 HA DPR 9 HA DPR 9 28.089 18.067 0.852
54 HB2 DPR 9 HB1 DPR 9 30.151 16.700 -0.708
55 HB3 DPR 9 HB2 DPR 9 28.800 15.996 0.163
56 HG2 DPR 9 HG1 DPR 9 31.355 15.979 1.099
57 HG3 DPR 9 HG2 DPR 9 29.941 16.114 2.233
58 HD2 DPR 9 HD1 DPR 9 31.890 18.119 1.148
59 HD3 DPR 9 HD2 DPR 9 30.935 18.226 2.722
60 H DSG 10 H DAN 10 30.505 19.565 -1.128
61 HA DSG 10 HA DAN 10 28.841 19.506 -3.569
62 HB2 DSG 10 HB1 DAN 10 30.931 20.488 -4.579
63 HB3 DSG 10 HB2 DAN 10 31.460 19.083 -3.605
64 HD21 DSG 10 1HD2 DAN 10 32.394 21.975 -4.373
65 HD22 DSG 10 2HD2 DAN 10 33.188 22.472 -2.849
66 H LYS 11 H LYS 11 28.919 21.555 -1.128
67 HA LYS 11 HA LYS 11 28.156 24.054 -2.585
68 HB2 LYS 11 HB2 LYS 11 26.560 22.500 -0.675
69 HB3 LYS 11 HB1 LYS 11 26.344 24.179 -0.946
70 HG2 LYS 11 HG2 LYS 11 25.867 23.864 -3.393
71 HG3 LYS 11 HG1 LYS 11 25.916 22.206 -3.222
72 HD2 LYS 11 HD2 LYS 11 24.139 22.488 -1.292
73 HD3 LYS 11 HD1 LYS 11 23.984 24.160 -2.015
74 HE2 LYS 11 HE2 LYS 11 23.388 23.088 -4.089
75 HE3 LYS 11 HE1 LYS 11 23.678 21.427 -3.445
76 HZ1 LYS 11 HZ1 LYS 11 21.927 21.970 -1.893
77 HZ2 LYS 11 HZ2 LYS 11 21.501 21.725 -3.539
78 HZ3 LYS 11 HZ3 LYS 11 21.545 23.207 -2.836
79 H TYR 12 H TYR 12 27.740 25.864 -1.178
80 HA TYR 12 HA TYR 12 30.072 26.295 0.447
81 HB2 TYR 12 HB2 TYR 12 28.027 28.090 -0.722
82 HB3 TYR 12 HB1 TYR 12 28.648 28.510 0.783
83 HD1 TYR 12 HD1 TYR 12 29.633 27.833 -2.616
84 HD2 TYR 12 HD2 TYR 12 30.951 29.414 1.162
85 HE1 TYR 12 HE1 TYR 12 31.737 28.886 -3.666
86 HE2 TYR 12 HE2 TYR 12 33.048 30.241 0.133
87 HH TYR 12 HH TYR 12 34.094 30.646 -1.860
88 H DVA 13 H DVA 13 30.485 26.544 2.352
89 HA DVA 13 HA DVA 13 28.620 27.111 4.341
90 HB DVA 13 HB DVA 13 30.336 26.681 5.940
91 HG11 DVA 13 1HG1 DVA 13 31.235 24.681 5.530
92 HG12 DVA 13 2HG1 DVA 13 32.651 25.780 5.137
93 HG13 DVA 13 3HG1 DVA 13 31.659 24.957 3.921
94 HG21 DVA 13 1HG2 DVA 13 31.490 27.909 3.426
95 HG22 DVA 13 2HG2 DVA 13 31.849 28.352 5.094
96 HG23 DVA 13 3HG2 DVA 13 30.289 28.765 4.425
97 HA DPR 14 HA DPR 14 27.445 22.928 5.625
98 HB2 DPR 14 HB1 DPR 14 27.030 23.189 8.363
99 HB3 DPR 14 HB2 DPR 14 25.872 23.716 7.099
100 HG2 DPR 14 HG1 DPR 14 27.772 25.326 8.820
101 HG3 DPR 14 HG2 DPR 14 26.327 25.832 8.190
102 HD2 DPR 14 HD1 DPR 14 28.615 26.593 6.827
103 HD3 DPR 14 HD2 DPR 14 26.950 26.529 6.227
Start of MODEL 19
1 H1 DCY 1 H1 DCY 1 28.486 21.026 6.732
2 HA DCY 1 HA DCY 1 31.231 21.391 7.504
3 HB2 DCY 1 HB1 DCY 1 29.327 19.027 7.696
4 HB3 DCY 1 HB2 DCY 1 30.927 18.896 8.406
5 H ASN 2 H ASN 2 32.144 21.123 9.572
6 HA ASN 2 HA ASN 2 30.278 21.676 11.783
7 HB2 ASN 2 HB2 ASN 2 33.197 20.811 12.109
8 HB3 ASN 2 HB1 ASN 2 31.910 20.993 13.267
9 HD21 ASN 2 1HD2 ASN 2 29.718 19.584 12.603
10 HD22 ASN 2 2HD2 ASN 2 30.204 17.962 12.373
11 H DVA 3 H DVA 3 31.976 23.613 9.933
12 HA DVA 3 HA DVA 3 32.740 25.684 11.871
13 HB DVA 3 HB DVA 3 31.928 27.424 10.262
14 HG11 DVA 3 1HG1 DVA 3 30.218 25.114 9.263
15 HG12 DVA 3 2HG1 DVA 3 31.181 26.216 8.343
16 HG13 DVA 3 3HG1 DVA 3 29.691 26.755 9.074
17 HG21 DVA 3 1HG2 DVA 3 29.841 25.976 11.827
18 HG22 DVA 3 2HG2 DVA 3 29.926 27.775 11.463
19 HG23 DVA 3 3HG2 DVA 3 31.035 27.050 12.567
20 HA DPR 4 HA DPR 4 36.408 26.006 9.517
21 HB2 DPR 4 HB1 DPR 4 35.803 28.973 9.260
22 HB3 DPR 4 HB2 DPR 4 37.348 28.034 9.512
23 HG2 DPR 4 HG1 DPR 4 35.989 29.083 11.670
24 HG3 DPR 4 HG2 DPR 4 36.763 27.529 11.714
25 HD2 DPR 4 HD1 DPR 4 33.870 28.296 10.898
26 HD3 DPR 4 HD2 DPR 4 34.376 27.035 12.152
27 H ASP 5 H ASP 5 37.324 26.098 7.453
28 HA ASP 5 HA ASP 5 37.424 25.859 5.271
29 HB2 ASP 5 HB2 ASP 5 36.107 23.964 6.603
30 HB3 ASP 5 HB1 ASP 5 34.775 24.564 5.646
31 H VAL 6 H VAL 6 35.470 25.501 3.372
32 HA VAL 6 HA VAL 6 33.980 27.976 3.097
33 HB VAL 6 HB VAL 6 34.846 27.937 0.579
34 HG11 VAL 6 1HG1 VAL 6 36.156 29.969 1.137
35 HG12 VAL 6 2HG1 VAL 6 36.263 29.385 2.899
36 HG13 VAL 6 3HG1 VAL 6 34.805 29.814 2.043
37 HG21 VAL 6 1HG2 VAL 6 36.425 26.308 0.689
38 HG22 VAL 6 2HG2 VAL 6 37.322 26.957 2.040
39 HG23 VAL 6 3HG2 VAL 6 37.282 27.889 0.444
40 H TYR 7 H TYR 7 34.511 24.615 2.229
41 HA TYR 7 HA TYR 7 31.773 24.607 1.457
42 HB2 TYR 7 HB2 TYR 7 32.542 23.026 -0.644
43 HB3 TYR 7 HB1 TYR 7 32.132 24.689 -0.619
44 HD1 TYR 7 HD1 TYR 7 33.543 26.184 -1.466
45 HD2 TYR 7 HD2 TYR 7 35.161 22.330 -0.375
46 HE1 TYR 7 HE1 TYR 7 35.709 26.735 -2.706
47 HE2 TYR 7 HE2 TYR 7 37.381 23.104 -1.418
48 HH TYR 7 HH TYR 7 38.451 24.557 -2.513
49 H CYS 8 H CYS 8 30.680 22.686 1.470
50 HA CYS 8 HA CYS 8 31.965 20.299 2.682
51 HB2 CYS 8 HB2 CYS 8 31.154 21.316 4.625
52 HB3 CYS 8 HB1 CYS 8 29.745 21.795 3.948
53 HA DPR 9 HA DPR 9 28.449 18.014 1.099
54 HB2 DPR 9 HB1 DPR 9 30.401 16.979 -0.950
55 HB3 DPR 9 HB2 DPR 9 29.282 16.004 -0.019
56 HG2 DPR 9 HG1 DPR 9 31.777 16.038 0.907
57 HG3 DPR 9 HG2 DPR 9 30.524 16.452 2.081
58 HD2 DPR 9 HD1 DPR 9 32.384 18.443 0.916
59 HD3 DPR 9 HD2 DPR 9 31.602 18.203 2.423
60 H DSG 10 H DAN 10 30.371 19.392 -1.358
61 HA DSG 10 HA DAN 10 28.393 19.251 -3.397
62 HB2 DSG 10 HB1 DAN 10 29.986 20.089 -4.773
63 HB3 DSG 10 HB2 DAN 10 30.789 18.979 -3.630
64 HD21 DSG 10 1HD2 DAN 10 30.756 22.145 -5.243
65 HD22 DSG 10 2HD2 DAN 10 31.935 22.876 -4.121
66 H LYS 11 H LYS 11 29.013 21.720 -1.000
67 HA LYS 11 HA LYS 11 27.866 23.982 -2.465
68 HB2 LYS 11 HB2 LYS 11 26.394 22.750 -0.211
69 HB3 LYS 11 HB1 LYS 11 26.173 24.427 -0.771
70 HG2 LYS 11 HG2 LYS 11 25.658 23.143 -3.038
71 HG3 LYS 11 HG1 LYS 11 25.536 21.688 -2.038
72 HD2 LYS 11 HD2 LYS 11 23.957 22.746 -0.432
73 HD3 LYS 11 HD1 LYS 11 23.973 24.205 -1.482
74 HE2 LYS 11 HE2 LYS 11 23.196 22.788 -3.418
75 HE3 LYS 11 HE1 LYS 11 23.019 21.462 -2.341
76 HZ1 LYS 11 HZ1 LYS 11 20.992 22.911 -2.727
77 HZ2 LYS 11 HZ2 LYS 11 21.545 23.912 -1.660
78 HZ3 LYS 11 HZ3 LYS 11 21.188 22.344 -1.278
79 H TYR 12 H TYR 12 28.299 26.034 -1.616
80 HA TYR 12 HA TYR 12 30.471 26.119 0.274
81 HB2 TYR 12 HB2 TYR 12 28.838 28.260 -1.205
82 HB3 TYR 12 HB1 TYR 12 29.534 28.629 0.345
83 HD1 TYR 12 HD1 TYR 12 30.424 26.794 -2.755
84 HD2 TYR 12 HD2 TYR 12 31.570 29.822 -0.003
85 HE1 TYR 12 HE1 TYR 12 32.484 27.249 -4.152
86 HE2 TYR 12 HE2 TYR 12 33.795 30.048 -1.103
87 HH TYR 12 HH TYR 12 34.824 29.701 -3.076
88 H DVA 13 H DVA 13 30.597 26.609 2.224
89 HA DVA 13 HA DVA 13 28.154 26.833 3.731
90 HB DVA 13 HB DVA 13 29.658 27.501 5.620
91 HG11 DVA 13 1HG1 DVA 13 31.232 25.578 5.516
92 HG12 DVA 13 2HG1 DVA 13 32.017 27.167 5.624
93 HG13 DVA 13 3HG1 DVA 13 32.040 26.297 4.159
94 HG21 DVA 13 1HG2 DVA 13 29.609 29.163 3.838
95 HG22 DVA 13 2HG2 DVA 13 31.105 28.390 3.172
96 HG23 DVA 13 3HG2 DVA 13 31.134 29.097 4.789
97 HA DPR 14 HA DPR 14 27.948 22.526 4.970
98 HB2 DPR 14 HB1 DPR 14 26.792 22.656 7.464
99 HB3 DPR 14 HB2 DPR 14 26.013 23.107 5.910
100 HG2 DPR 14 HG1 DPR 14 27.503 24.927 7.897
101 HG3 DPR 14 HG2 DPR 14 25.809 25.121 7.246
102 HD2 DPR 14 HD1 DPR 14 27.868 26.468 6.221
103 HD3 DPR 14 HD2 DPR 14 26.495 25.880 5.235
Start of MODEL 20
1 H1 DCY 1 H1 DCY 1 28.357 21.410 6.785
2 HA DCY 1 HA DCY 1 31.195 21.246 7.003
3 HB2 DCY 1 HB1 DCY 1 28.837 19.485 7.772
4 HB3 DCY 1 HB2 DCY 1 30.417 19.031 8.341
5 H ASN 2 H ASN 2 32.489 21.022 8.863
6 HA ASN 2 HA ASN 2 31.293 20.880 11.470
7 HB2 ASN 2 HB2 ASN 2 34.109 20.624 10.598
8 HB3 ASN 2 HB1 ASN 2 33.569 20.441 12.304
9 HD21 ASN 2 1HD2 ASN 2 31.379 18.675 12.059
10 HD22 ASN 2 2HD2 ASN 2 31.889 17.246 11.104
11 H DVA 3 H DVA 3 31.892 23.533 9.737
12 HA DVA 3 HA DVA 3 32.497 25.362 11.939
13 HB DVA 3 HB DVA 3 31.217 27.056 10.511
14 HG11 DVA 3 1HG1 DVA 3 30.053 24.485 9.319
15 HG12 DVA 3 2HG1 DVA 3 31.208 25.623 8.395
16 HG13 DVA 3 3HG1 DVA 3 29.684 26.126 8.964
17 HG21 DVA 3 1HG2 DVA 3 29.970 24.612 11.775
18 HG22 DVA 3 2HG2 DVA 3 29.159 26.237 11.446
19 HG23 DVA 3 3HG2 DVA 3 30.491 26.115 12.585
20 HA DPR 4 HA DPR 4 36.087 27.144 9.805
21 HB2 DPR 4 HB1 DPR 4 34.319 29.519 9.241
22 HB3 DPR 4 HB2 DPR 4 36.080 29.501 9.621
23 HG2 DPR 4 HG1 DPR 4 34.349 29.899 11.674
24 HG3 DPR 4 HG2 DPR 4 35.716 28.797 11.906
25 HD2 DPR 4 HD1 DPR 4 32.894 28.313 11.267
26 HD3 DPR 4 HD2 DPR 4 33.984 27.206 12.268
27 H ASP 5 H ASP 5 36.877 27.028 7.919
28 HA ASP 5 HA ASP 5 37.133 26.471 5.856
29 HB2 ASP 5 HB2 ASP 5 36.055 24.629 7.219
30 HB3 ASP 5 HB1 ASP 5 34.684 24.724 6.155
31 H VAL 6 H VAL 6 35.415 25.544 3.796
32 HA VAL 6 HA VAL 6 33.565 27.719 2.995
33 HB VAL 6 HB VAL 6 34.499 27.639 0.714
34 HG11 VAL 6 1HG1 VAL 6 36.050 29.350 0.935
35 HG12 VAL 6 2HG1 VAL 6 36.354 28.904 2.710
36 HG13 VAL 6 3HG1 VAL 6 34.826 29.574 2.101
37 HG21 VAL 6 1HG2 VAL 6 36.326 25.604 1.190
38 HG22 VAL 6 2HG2 VAL 6 37.210 26.889 1.964
39 HG23 VAL 6 3HG2 VAL 6 36.792 26.968 0.279
40 H TYR 7 H TYR 7 34.398 24.473 2.581
41 HA TYR 7 HA TYR 7 32.027 24.001 0.915
42 HB2 TYR 7 HB2 TYR 7 34.661 22.654 0.409
43 HB3 TYR 7 HB1 TYR 7 33.097 22.211 -0.290
44 HD1 TYR 7 HD1 TYR 7 31.818 23.916 -1.588
45 HD2 TYR 7 HD2 TYR 7 35.929 24.442 -0.545
46 HE1 TYR 7 HE1 TYR 7 31.954 25.593 -3.346
47 HE2 TYR 7 HE2 TYR 7 36.218 26.074 -2.341
48 HH TYR 7 HH TYR 7 35.005 27.311 -3.952
49 H CYS 8 H CYS 8 30.691 22.378 1.165
50 HA CYS 8 HA CYS 8 31.554 19.933 2.516
51 HB2 CYS 8 HB2 CYS 8 31.144 20.857 4.530
52 HB3 CYS 8 HB1 CYS 8 29.795 21.871 4.009
53 HA DPR 9 HA DPR 9 27.501 18.763 0.831
54 HB2 DPR 9 HB1 DPR 9 29.089 16.519 -0.410
55 HB3 DPR 9 HB2 DPR 9 27.595 16.357 0.510
56 HG2 DPR 9 HG1 DPR 9 29.888 15.648 1.658
57 HG3 DPR 9 HG2 DPR 9 28.700 16.592 2.579
58 HD2 DPR 9 HD1 DPR 9 31.149 17.724 1.096
59 HD3 DPR 9 HD2 DPR 9 30.647 18.069 2.746
60 H DSG 10 H DAN 10 30.424 19.158 -1.052
61 HA DSG 10 HA DAN 10 28.971 19.447 -3.463
62 HB2 DSG 10 HB1 DAN 10 31.136 19.567 -4.555
63 HB3 DSG 10 HB2 DAN 10 31.132 18.320 -3.391
64 HD21 DSG 10 1HD2 DAN 10 33.596 19.827 -4.342
65 HD22 DSG 10 2HD2 DAN 10 34.270 20.358 -2.798
66 H LYS 11 H LYS 11 28.875 21.528 -0.980
67 HA LYS 11 HA LYS 11 28.607 23.858 -2.748
68 HB2 LYS 11 HB2 LYS 11 26.679 22.465 -0.854
69 HB3 LYS 11 HB1 LYS 11 26.338 24.052 -1.351
70 HG2 LYS 11 HG2 LYS 11 26.363 23.240 -3.699
71 HG3 LYS 11 HG1 LYS 11 26.834 21.600 -3.118
72 HD2 LYS 11 HD2 LYS 11 24.764 21.360 -1.894
73 HD3 LYS 11 HD1 LYS 11 24.271 23.046 -2.331
74 HE2 LYS 11 HE2 LYS 11 23.265 22.271 -4.256
75 HE3 LYS 11 HE1 LYS 11 24.883 21.621 -4.628
76 HZ1 LYS 11 HZ1 LYS 11 23.628 19.717 -4.688
77 HZ2 LYS 11 HZ2 LYS 11 22.747 20.335 -3.405
78 HZ3 LYS 11 HZ3 LYS 11 24.333 19.730 -3.238
79 H TYR 12 H TYR 12 28.006 25.854 -1.525
80 HA TYR 12 HA TYR 12 30.243 26.324 0.116
81 HB2 TYR 12 HB2 TYR 12 29.088 27.817 -1.763
82 HB3 TYR 12 HB1 TYR 12 28.471 28.592 -0.180
83 HD1 TYR 12 HD1 TYR 12 31.602 27.365 -1.717
84 HD2 TYR 12 HD2 TYR 12 29.740 30.185 0.978
85 HE1 TYR 12 HE1 TYR 12 33.756 28.712 -1.503
86 HE2 TYR 12 HE2 TYR 12 31.844 31.359 1.185
87 HH TYR 12 HH TYR 12 34.009 31.742 0.318
88 H DVA 13 H DVA 13 30.476 26.606 2.146
89 HA DVA 13 HA DVA 13 28.321 27.242 3.886
90 HB DVA 13 HB DVA 13 29.711 27.352 5.771
91 HG11 DVA 13 1HG1 DVA 13 31.380 25.879 5.835
92 HG12 DVA 13 2HG1 DVA 13 32.359 27.182 5.305
93 HG13 DVA 13 3HG1 DVA 13 31.821 25.975 4.108
94 HG21 DVA 13 1HG2 DVA 13 29.644 29.248 4.034
95 HG22 DVA 13 2HG2 DVA 13 31.221 28.813 3.498
96 HG23 DVA 13 3HG2 DVA 13 31.078 29.203 5.125
97 HA DPR 14 HA DPR 14 27.497 23.195 5.784
98 HB2 DPR 14 HB1 DPR 14 28.074 24.460 8.522
99 HB3 DPR 14 HB2 DPR 14 26.853 23.339 7.945
100 HG2 DPR 14 HG1 DPR 14 26.218 25.859 8.017
101 HG3 DPR 14 HG2 DPR 14 25.611 24.790 6.686
102 HD2 DPR 14 HD1 DPR 14 27.801 26.940 6.632
103 HD3 DPR 14 HD2 DPR 14 26.679 26.326 5.397