Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
591142 | 2myz RC | 25465 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 1.388 -2.559 1.674
2 H2 GLY 1 HT2 GLY 1 3.040 -2.680 2.054
3 H3 GLY 1 HT3 GLY 1 2.162 -1.294 2.497
4 HA2 GLY 1 HA1 GLY 1 0.973 -2.407 4.151
5 HA3 GLY 1 HA2 GLY 1 1.452 -3.979 3.511
6 H GLU 2 HN GLU 2 2.291 -4.453 5.686
7 HA GLU 2 HA GLU 2 4.224 -2.972 7.083
8 HB2 GLU 2 HB2 GLU 2 3.941 -5.977 6.799
9 HB3 GLU 2 HB1 GLU 2 4.996 -5.194 7.976
10 HG2 GLU 2 HG2 GLU 2 3.035 -4.001 8.918
11 HG3 GLU 2 HG1 GLU 2 1.990 -4.841 7.772
12 H CGU 3 HN GLA 3 4.499 -4.192 3.963
13 HA CGU 3 HA GLA 3 7.340 -4.842 4.030
14 HB2 CGU 3 HB2 GLA 3 5.486 -4.237 1.702
15 HB3 CGU 3 HB3 GLA 3 5.884 -5.843 2.322
16 HG CGU 3 HG GLA 3 8.021 -3.937 1.336
17 H CGU 4 HN GLA 4 5.468 -2.143 2.601
18 HA CGU 4 HA GLA 4 7.574 -0.513 1.775
19 HB2 CGU 4 HB2 GLA 4 5.015 0.376 3.144
20 HB3 CGU 4 HB3 GLA 4 5.201 0.058 1.418
21 HG CGU 4 HG GLA 4 6.805 2.126 2.955
22 H LEU 5 HN LEU 5 6.355 -1.026 5.049
23 HA LEU 5 HA LEU 5 7.580 1.052 6.448
24 HB2 LEU 5 HB2 LEU 5 6.187 -1.101 7.212
25 HB3 LEU 5 HB1 LEU 5 7.808 -1.687 7.608
26 HG LEU 5 HG LEU 5 6.650 0.959 8.533
27 HD11 LEU 5 HD11 LEU 5 6.340 -0.058 10.677
28 HD12 LEU 5 HD12 LEU 5 7.209 -1.513 10.187
29 HD13 LEU 5 HD13 LEU 5 5.619 -1.164 9.508
30 HD21 LEU 5 HD21 LEU 5 8.918 1.337 8.656
31 HD22 LEU 5 HD22 LEU 5 9.306 -0.382 8.733
32 HD23 LEU 5 HD23 LEU 5 8.725 0.457 10.172
33 H ALA 6 HN ALA 6 9.066 -2.032 5.422
34 HA ALA 6 HA ALA 6 11.657 -1.250 6.540
35 HB1 ALA 6 HB1 ALA 6 10.597 -3.604 5.008
36 HB2 ALA 6 HB2 ALA 6 11.442 -3.563 6.555
37 HB3 ALA 6 HB3 ALA 6 12.340 -3.340 5.054
38 H CGU 7 HN GLA 7 10.307 -1.593 3.211
39 HA CGU 7 HA GLA 7 12.567 -0.960 1.701
40 HB2 CGU 7 HB2 GLA 7 11.038 0.109 0.069
41 HB3 CGU 7 HB3 GLA 7 9.768 0.156 1.292
42 HG CGU 7 HG GLA 7 9.851 -2.321 1.446
43 H ASN 8 HN ASN 8 10.697 1.032 3.811
44 HA ASN 8 HA ASN 8 11.266 3.643 3.206
45 HB2 ASN 8 HB2 ASN 8 10.225 2.403 5.340
46 HB3 ASN 8 HB1 ASN 8 11.818 2.751 6.004
47 HD21 ASN 8 HD21 ASN 8 11.230 4.438 7.424
48 HD22 ASN 8 HD22 ASN 8 10.580 5.927 6.894
49 H GLN 9 HN GLN 9 13.488 1.379 4.884
50 HA GLN 9 HA GLN 9 15.633 3.391 4.838
51 HB2 GLN 9 HB2 GLN 9 16.926 1.805 6.086
52 HB3 GLN 9 HB1 GLN 9 15.281 1.710 6.718
53 HG2 GLN 9 HG2 GLN 9 14.929 -0.185 5.004
54 HG3 GLN 9 HG1 GLN 9 16.686 -0.214 4.865
55 HE21 GLN 9 HE21 GLN 9 14.109 -1.531 6.612
56 HE22 GLN 9 HE22 GLN 9 14.975 -2.055 7.985
57 H CGU 10 HN GLA 10 14.923 0.283 3.242
58 HA CGU 10 HA GLA 10 17.266 -0.130 1.817
59 HB2 CGU 10 HB2 GLA 10 14.465 -0.380 0.685
60 HB3 CGU 10 HB3 GLA 10 15.250 -1.593 1.693
61 HG CGU 10 HG GLA 10 17.098 -1.706 -0.027
62 H PHE 11 HN PHE 11 14.965 2.407 1.422
63 HA PHE 11 HA PHE 11 15.305 3.350 -1.140
64 HB2 PHE 11 HB2 PHE 11 14.071 4.393 0.854
65 HB3 PHE 11 HB1 PHE 11 15.604 5.170 1.243
66 HD1 PHE 11 HD1 PHE 11 16.775 6.493 -0.661
67 HD2 PHE 11 HD2 PHE 11 12.632 5.360 -0.746
68 HE1 PHE 11 HE1 PHE 11 16.337 8.227 -2.378
69 HE2 PHE 11 HE2 PHE 11 12.194 7.095 -2.464
70 HZ PHE 11 HZ PHE 11 14.046 8.529 -3.280
71 H ALA 12 HN ALA 12 17.607 3.810 1.556
72 HA ALA 12 HA ALA 12 19.498 5.398 0.166
73 HB1 ALA 12 HB1 ALA 12 20.830 5.107 2.004
74 HB2 ALA 12 HB2 ALA 12 20.562 3.364 2.051
75 HB3 ALA 12 HB3 ALA 12 19.341 4.462 2.694
76 H ARG 13 HN ARG 13 18.938 1.922 0.081
77 HA ARG 13 HA ARG 13 21.421 1.450 -1.430
78 HB2 ARG 13 HB2 ARG 13 20.518 -0.241 0.184
79 HB3 ARG 13 HB1 ARG 13 19.122 -0.450 -0.873
80 HG2 ARG 13 HG2 ARG 13 21.780 -0.666 -2.175
81 HG3 ARG 13 HG1 ARG 13 21.355 -1.969 -1.066
82 HD2 ARG 13 HD2 ARG 13 19.244 -2.333 -2.277
83 HD3 ARG 13 HD1 ARG 13 19.639 -1.012 -3.379
84 HE ARG 13 HE ARG 13 21.737 -3.006 -3.333
85 HH11 ARG 13 HH11 ARG 13 19.187 -4.569 -3.798
86 HH12 ARG 13 HH12 ARG 13 19.068 -4.531 -5.526
87 HH21 ARG 13 HH21 ARG 13 21.341 -1.938 -5.890
88 HH22 ARG 13 HH22 ARG 13 20.284 -3.037 -6.710
89 H CGU 14 HN GLA 14 17.975 1.858 -2.067
90 HA CGU 14 HA GLA 14 17.717 0.822 -4.620
91 HB2 CGU 14 HB2 GLA 14 16.401 3.285 -4.614
92 HB3 CGU 14 HB3 GLA 14 16.450 2.805 -2.932
93 HG CGU 14 HG GLA 14 15.554 0.586 -3.566
94 H LEU 15 HN LEU 15 19.193 3.889 -3.611
95 HA LEU 15 HA LEU 15 19.558 5.149 -6.079
96 HB2 LEU 15 HB2 LEU 15 21.468 6.266 -5.094
97 HB3 LEU 15 HB1 LEU 15 20.261 6.039 -3.831
98 HG LEU 15 HG LEU 15 21.537 3.787 -3.380
99 HD11 LEU 15 HD11 LEU 15 23.441 3.455 -4.534
100 HD12 LEU 15 HD12 LEU 15 24.077 4.997 -3.965
101 HD13 LEU 15 HD13 LEU 15 23.134 4.929 -5.451
102 HD21 LEU 15 HD21 LEU 15 21.380 5.828 -1.893
103 HD22 LEU 15 HD22 LEU 15 22.862 6.416 -2.646
104 HD23 LEU 15 HD23 LEU 15 22.880 4.917 -1.717
105 H ALA 16 HN ALA 16 21.277 2.382 -4.736
106 HA ALA 16 HA ALA 16 23.531 2.177 -6.322
107 HB1 ALA 16 HB1 ALA 16 22.561 0.489 -4.610
108 HB2 ALA 16 HB2 ALA 16 23.462 -0.163 -5.979
109 HB3 ALA 16 HB3 ALA 16 21.699 -0.198 -5.986
110 H ASN 17 HN ASN 17 20.184 1.834 -7.333
111 HA ASN 17 HA ASN 17 20.545 0.540 -9.820
112 HB2 ASN 17 HB2 ASN 17 18.325 1.088 -8.843
113 HB3 ASN 17 HB1 ASN 17 18.611 2.793 -9.195
114 HD21 ASN 17 HD21 ASN 17 17.956 3.506 -11.239
115 HD22 ASN 17 HD22 ASN 17 17.598 2.478 -12.554
116 HN1 NH2 18 H1 NH2 18 19.470 3.774 -10.434
117 HN2 NH2 18 H2 NH2 18 20.840 4.297 -11.291
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 0.378 -4.457 6.273
2 H2 GLY 1 HT2 GLY 1 2.026 -4.864 6.331
3 H3 GLY 1 HT3 GLY 1 1.411 -3.985 5.013
4 HA2 GLY 1 HA1 GLY 1 1.264 -2.033 6.170
5 HA3 GLY 1 HA2 GLY 1 1.139 -2.872 7.716
6 H GLU 2 HN GLU 2 3.332 -4.648 7.406
7 HA GLU 2 HA GLU 2 5.518 -2.851 8.079
8 HB2 GLU 2 HB2 GLU 2 5.523 -5.855 7.642
9 HB3 GLU 2 HB1 GLU 2 6.811 -4.921 8.403
10 HG2 GLU 2 HG2 GLU 2 3.958 -5.070 9.419
11 HG3 GLU 2 HG1 GLU 2 5.310 -5.993 10.078
12 H CGU 3 HN GLA 3 4.331 -4.182 5.168
13 HA CGU 3 HA GLA 3 6.727 -4.557 3.684
14 HB2 CGU 3 HB2 GLA 3 3.993 -3.600 2.781
15 HB3 CGU 3 HB3 GLA 3 4.586 -5.264 2.775
16 HG CGU 3 HG GLA 3 5.750 -2.968 1.164
17 H CGU 4 HN GLA 4 4.575 -1.696 3.500
18 HA CGU 4 HA GLA 4 6.335 0.012 2.153
19 HB2 CGU 4 HB2 GLA 4 4.459 0.827 4.393
20 HB3 CGU 4 HB3 GLA 4 3.951 0.528 2.731
21 HG CGU 4 HG GLA 4 5.592 2.291 1.994
22 H LEU 5 HN LEU 5 6.362 -0.990 5.509
23 HA LEU 5 HA LEU 5 8.149 1.036 6.489
24 HB2 LEU 5 HB2 LEU 5 6.686 -0.940 7.652
25 HB3 LEU 5 HB1 LEU 5 8.299 -1.661 7.705
26 HG LEU 5 HG LEU 5 7.560 1.089 8.744
27 HD11 LEU 5 HD11 LEU 5 8.257 -0.052 10.944
28 HD12 LEU 5 HD12 LEU 5 8.084 -1.575 10.071
29 HD13 LEU 5 HD13 LEU 5 6.691 -0.511 10.273
30 HD21 LEU 5 HD21 LEU 5 9.927 0.837 9.745
31 HD22 LEU 5 HD22 LEU 5 9.820 1.199 8.022
32 HD23 LEU 5 HD23 LEU 5 10.156 -0.448 8.558
33 H ALA 6 HN ALA 6 8.654 -2.033 4.830
34 HA ALA 6 HA ALA 6 11.546 -1.998 5.354
35 HB1 ALA 6 HB1 ALA 6 11.521 -4.139 4.564
36 HB2 ALA 6 HB2 ALA 6 10.519 -3.719 3.174
37 HB3 ALA 6 HB3 ALA 6 9.772 -3.999 4.748
38 H CGU 7 HN GLA 7 9.406 -1.465 2.509
39 HA CGU 7 HA GLA 7 11.317 -0.999 0.523
40 HB2 CGU 7 HB2 GLA 7 9.702 0.736 -0.381
41 HB3 CGU 7 HB3 GLA 7 8.758 0.537 1.095
42 HG CGU 7 HG GLA 7 8.535 -1.894 0.583
43 H ASN 8 HN ASN 8 10.490 0.881 3.296
44 HA ASN 8 HA ASN 8 11.468 3.413 2.914
45 HB2 ASN 8 HB2 ASN 8 10.699 2.013 5.061
46 HB3 ASN 8 HB1 ASN 8 12.439 1.916 5.313
47 HD21 ASN 8 HD21 ASN 8 12.788 3.415 6.955
48 HD22 ASN 8 HD22 ASN 8 12.331 5.060 6.871
49 H GLN 9 HN GLN 9 13.461 0.541 3.708
50 HA GLN 9 HA GLN 9 15.942 2.056 3.397
51 HB2 GLN 9 HB2 GLN 9 17.053 0.051 3.999
52 HB3 GLN 9 HB1 GLN 9 15.554 0.023 4.929
53 HG2 GLN 9 HG2 GLN 9 14.520 -1.371 3.120
54 HG3 GLN 9 HG1 GLN 9 16.093 -1.436 2.326
55 HE21 GLN 9 HE21 GLN 9 16.686 -1.316 5.620
56 HE22 GLN 9 HE22 GLN 9 16.815 -2.988 5.930
57 H CGU 10 HN GLA 10 14.218 -0.444 1.528
58 HA CGU 10 HA GLA 10 16.018 -0.922 -0.516
59 HB2 CGU 10 HB2 GLA 10 13.057 -0.435 -0.887
60 HB3 CGU 10 HB3 GLA 10 13.774 -1.961 -0.376
61 HG CGU 10 HG GLA 10 14.369 -0.546 -2.991
62 H PHE 11 HN PHE 11 14.430 2.007 0.186
63 HA PHE 11 HA PHE 11 14.901 3.182 -2.452
64 HB2 PHE 11 HB2 PHE 11 12.980 3.812 -1.087
65 HB3 PHE 11 HB1 PHE 11 14.057 4.367 0.190
66 HD1 PHE 11 HD1 PHE 11 15.800 6.202 -0.452
67 HD2 PHE 11 HD2 PHE 11 12.310 5.292 -2.787
68 HE1 PHE 11 HE1 PHE 11 15.965 8.413 -1.562
69 HE2 PHE 11 HE2 PHE 11 12.476 7.504 -3.896
70 HZ PHE 11 HZ PHE 11 14.303 9.064 -3.283
71 H ALA 12 HN ALA 12 16.295 3.497 0.817
72 HA ALA 12 HA ALA 12 18.218 5.504 0.120
73 HB1 ALA 12 HB1 ALA 12 18.469 5.430 2.354
74 HB2 ALA 12 HB2 ALA 12 19.287 3.876 2.191
75 HB3 ALA 12 HB3 ALA 12 17.540 3.932 2.429
76 H ARG 13 HN ARG 13 18.332 1.958 0.053
77 HA ARG 13 HA ARG 13 21.152 1.932 -0.721
78 HB2 ARG 13 HB2 ARG 13 19.034 -0.235 -0.651
79 HB3 ARG 13 HB1 ARG 13 20.721 -0.523 -1.077
80 HG2 ARG 13 HG2 ARG 13 20.017 0.877 1.495
81 HG3 ARG 13 HG1 ARG 13 19.992 -0.884 1.400
82 HD2 ARG 13 HD2 ARG 13 22.341 -0.808 0.516
83 HD3 ARG 13 HD1 ARG 13 22.349 0.932 0.817
84 HE ARG 13 HE ARG 13 22.683 -1.121 2.821
85 HH11 ARG 13 HH11 ARG 13 23.771 1.647 3.057
86 HH12 ARG 13 HH12 ARG 13 22.779 2.329 4.304
87 HH21 ARG 13 HH21 ARG 13 20.329 -0.115 4.054
88 HH22 ARG 13 HH22 ARG 13 20.827 1.331 4.867
89 H CGU 14 HN GLA 14 18.084 2.116 -2.355
90 HA CGU 14 HA GLA 14 18.633 1.031 -4.854
91 HB2 CGU 14 HB2 GLA 14 17.226 3.399 -5.292
92 HB3 CGU 14 HB3 GLA 14 16.821 2.950 -3.648
93 HG CGU 14 HG GLA 14 16.252 0.679 -4.422
94 H LEU 15 HN LEU 15 19.548 4.209 -3.542
95 HA LEU 15 HA LEU 15 20.542 5.466 -5.831
96 HB2 LEU 15 HB2 LEU 15 22.106 6.649 -4.327
97 HB3 LEU 15 HB1 LEU 15 20.508 6.523 -3.598
98 HG LEU 15 HG LEU 15 21.447 4.300 -2.565
99 HD11 LEU 15 HD11 LEU 15 23.625 3.872 -2.913
100 HD12 LEU 15 HD12 LEU 15 24.053 5.425 -2.199
101 HD13 LEU 15 HD13 LEU 15 23.748 5.305 -3.930
102 HD21 LEU 15 HD21 LEU 15 20.809 6.463 -1.395
103 HD22 LEU 15 HD22 LEU 15 22.500 6.945 -1.527
104 HD23 LEU 15 HD23 LEU 15 22.059 5.519 -0.586
105 H ALA 16 HN ALA 16 21.962 2.820 -3.989
106 HA ALA 16 HA ALA 16 24.596 2.779 -4.824
107 HB1 ALA 16 HB1 ALA 16 24.572 0.412 -4.537
108 HB2 ALA 16 HB2 ALA 16 22.866 0.303 -4.969
109 HB3 ALA 16 HB3 ALA 16 23.341 1.028 -3.433
110 H ASN 17 HN ASN 17 21.740 2.171 -6.775
111 HA ASN 17 HA ASN 17 21.579 1.464 -9.044
112 HB2 ASN 17 HB2 ASN 17 22.030 3.988 -8.939
113 HB3 ASN 17 HB1 ASN 17 23.693 3.597 -9.379
114 HD21 ASN 17 HD21 ASN 17 23.868 4.108 -11.580
115 HD22 ASN 17 HD22 ASN 17 22.768 3.595 -12.780
116 HN1 NH2 18 H1 NH2 18 22.833 -0.646 -8.459
117 HN2 NH2 18 H2 NH2 18 24.332 -0.878 -9.222
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 1.440 -2.278 7.471
2 H2 GLY 1 HT2 GLY 1 1.572 -3.944 7.774
3 H3 GLY 1 HT3 GLY 1 0.256 -3.341 6.882
4 HA2 GLY 1 HA1 GLY 1 1.937 -4.410 5.464
5 HA3 GLY 1 HA2 GLY 1 1.679 -2.707 5.078
6 H GLU 2 HN GLU 2 3.862 -4.978 6.685
7 HA GLU 2 HA GLU 2 5.823 -3.019 7.465
8 HB2 GLU 2 HB2 GLU 2 7.344 -4.965 7.682
9 HB3 GLU 2 HB1 GLU 2 5.783 -5.279 8.440
10 HG2 GLU 2 HG2 GLU 2 5.039 -6.533 6.485
11 HG3 GLU 2 HG1 GLU 2 6.531 -6.141 5.631
12 H CGU 3 HN GLA 3 4.831 -4.051 4.429
13 HA CGU 3 HA GLA 3 7.300 -4.179 2.991
14 HB2 CGU 3 HB2 GLA 3 4.573 -3.245 2.039
15 HB3 CGU 3 HB3 GLA 3 5.149 -4.915 2.026
16 HG CGU 3 HG GLA 3 6.391 -2.593 0.511
17 H CGU 4 HN GLA 4 4.963 -1.465 2.908
18 HA CGU 4 HA GLA 4 6.706 0.457 1.837
19 HB2 CGU 4 HB2 GLA 4 4.550 0.958 3.913
20 HB3 CGU 4 HB3 GLA 4 4.254 0.783 2.182
21 HG CGU 4 HG GLA 4 6.037 2.889 3.454
22 H LEU 5 HN LEU 5 6.192 -0.417 5.251
23 HA LEU 5 HA LEU 5 7.890 1.546 6.401
24 HB2 LEU 5 HB2 LEU 5 6.306 -0.402 7.411
25 HB3 LEU 5 HB1 LEU 5 7.884 -1.166 7.623
26 HG LEU 5 HG LEU 5 7.337 1.671 8.509
27 HD11 LEU 5 HD11 LEU 5 7.405 0.214 10.817
28 HD12 LEU 5 HD12 LEU 5 6.551 -0.896 9.745
29 HD13 LEU 5 HD13 LEU 5 5.919 0.727 10.020
30 HD21 LEU 5 HD21 LEU 5 9.651 0.026 8.343
31 HD22 LEU 5 HD22 LEU 5 9.255 0.179 10.054
32 HD23 LEU 5 HD23 LEU 5 9.518 1.624 9.078
33 H ALA 6 HN ALA 6 8.611 -1.648 5.035
34 HA ALA 6 HA ALA 6 11.438 -1.470 5.787
35 HB1 ALA 6 HB1 ALA 6 11.661 -3.618 4.843
36 HB2 ALA 6 HB2 ALA 6 10.317 -3.371 3.728
37 HB3 ALA 6 HB3 ALA 6 10.004 -3.619 5.446
38 H CGU 7 HN GLA 7 9.478 -0.867 2.872
39 HA CGU 7 HA GLA 7 11.449 -0.702 0.900
40 HB2 CGU 7 HB2 GLA 7 10.095 1.250 -0.028
41 HB3 CGU 7 HB3 GLA 7 9.096 1.140 1.422
42 HG CGU 7 HG GLA 7 8.544 -1.198 0.873
43 H ASN 8 HN ASN 8 10.784 1.433 3.573
44 HA ASN 8 HA ASN 8 12.220 3.730 3.105
45 HB2 ASN 8 HB2 ASN 8 11.106 2.614 5.292
46 HB3 ASN 8 HB1 ASN 8 12.798 2.290 5.654
47 HD21 ASN 8 HD21 ASN 8 13.100 3.840 7.300
48 HD22 ASN 8 HD22 ASN 8 12.973 5.523 7.038
49 H GLN 9 HN GLN 9 13.568 0.599 4.180
50 HA GLN 9 HA GLN 9 16.314 1.513 4.057
51 HB2 GLN 9 HB2 GLN 9 15.039 -0.627 5.204
52 HB3 GLN 9 HB1 GLN 9 15.814 -1.383 3.812
53 HG2 GLN 9 HG2 GLN 9 17.981 -0.570 4.482
54 HG3 GLN 9 HG1 GLN 9 17.267 0.430 5.749
55 HE21 GLN 9 HE21 GLN 9 18.703 -2.594 5.165
56 HE22 GLN 9 HE22 GLN 9 18.188 -3.387 6.585
57 H CGU 10 HN GLA 10 14.189 -0.344 1.893
58 HA CGU 10 HA GLA 10 16.234 -0.890 -0.056
59 HB2 CGU 10 HB2 GLA 10 13.239 -0.738 -0.443
60 HB3 CGU 10 HB3 GLA 10 14.114 -2.172 0.083
61 HG CGU 10 HG GLA 10 14.506 -0.718 -2.548
62 H PHE 11 HN PHE 11 14.439 1.847 0.735
63 HA PHE 11 HA PHE 11 14.631 3.122 -1.892
64 HB2 PHE 11 HB2 PHE 11 12.770 3.547 -0.350
65 HB3 PHE 11 HB1 PHE 11 13.900 4.196 0.832
66 HD1 PHE 11 HD1 PHE 11 13.178 4.620 -2.833
67 HD2 PHE 11 HD2 PHE 11 14.061 6.520 0.916
68 HE1 PHE 11 HE1 PHE 11 13.055 6.841 -3.930
69 HE2 PHE 11 HE2 PHE 11 13.936 8.741 -0.180
70 HZ PHE 11 HZ PHE 11 13.434 8.901 -2.603
71 H ALA 12 HN ALA 12 16.497 2.986 1.063
72 HA ALA 12 HA ALA 12 18.099 5.349 0.403
73 HB1 ALA 12 HB1 ALA 12 19.239 3.463 2.341
74 HB2 ALA 12 HB2 ALA 12 17.590 3.952 2.732
75 HB3 ALA 12 HB3 ALA 12 18.848 5.173 2.532
76 H ARG 13 HN ARG 13 18.483 1.818 0.211
77 HA ARG 13 HA ARG 13 21.208 2.085 -0.849
78 HB2 ARG 13 HB2 ARG 13 20.639 0.139 0.542
79 HB3 ARG 13 HB1 ARG 13 19.401 -0.341 -0.620
80 HG2 ARG 13 HG2 ARG 13 21.155 -0.543 -2.371
81 HG3 ARG 13 HG1 ARG 13 22.378 -0.138 -1.168
82 HD2 ARG 13 HD2 ARG 13 20.471 -2.475 -0.887
83 HD3 ARG 13 HD1 ARG 13 22.095 -2.618 -1.569
84 HE ARG 13 HE ARG 13 22.276 -1.326 0.972
85 HH11 ARG 13 HH11 ARG 13 20.297 -3.542 1.550
86 HH12 ARG 13 HH12 ARG 13 21.352 -4.839 2.003
87 HH21 ARG 13 HH21 ARG 13 24.188 -3.353 0.673
88 HH22 ARG 13 HH22 ARG 13 23.554 -4.733 1.506
89 H CGU 14 HN GLA 14 17.969 1.896 -2.118
90 HA CGU 14 HA GLA 14 18.308 0.802 -4.634
91 HB2 CGU 14 HB2 GLA 14 16.718 3.077 -4.960
92 HB3 CGU 14 HB3 GLA 14 16.517 2.633 -3.279
93 HG CGU 14 HG GLA 14 15.991 0.329 -3.948
94 H LEU 15 HN LEU 15 19.118 4.101 -3.544
95 HA LEU 15 HA LEU 15 19.810 5.280 -5.982
96 HB2 LEU 15 HB2 LEU 15 21.360 6.688 -4.719
97 HB3 LEU 15 HB1 LEU 15 19.906 6.419 -3.761
98 HG LEU 15 HG LEU 15 21.228 4.379 -2.785
99 HD11 LEU 15 HD11 LEU 15 23.363 4.144 -3.457
100 HD12 LEU 15 HD12 LEU 15 23.727 5.769 -2.875
101 HD13 LEU 15 HD13 LEU 15 23.182 5.528 -4.533
102 HD21 LEU 15 HD21 LEU 15 21.837 7.279 -2.142
103 HD22 LEU 15 HD22 LEU 15 22.279 5.931 -1.094
104 HD23 LEU 15 HD23 LEU 15 20.580 6.273 -1.424
105 H ALA 16 HN ALA 16 21.550 2.869 -4.104
106 HA ALA 16 HA ALA 16 24.086 2.910 -5.262
107 HB1 ALA 16 HB1 ALA 16 22.953 1.268 -3.518
108 HB2 ALA 16 HB2 ALA 16 24.336 0.736 -4.474
109 HB3 ALA 16 HB3 ALA 16 22.703 0.268 -4.950
110 H ASN 17 HN ASN 17 21.064 1.687 -6.643
111 HA ASN 17 HA ASN 17 22.250 0.415 -8.931
112 HB2 ASN 17 HB2 ASN 17 19.907 0.013 -8.200
113 HB3 ASN 17 HB1 ASN 17 19.495 1.661 -8.677
114 HD21 ASN 17 HD21 ASN 17 18.659 1.812 -10.760
115 HD22 ASN 17 HD22 ASN 17 18.995 0.727 -12.031
116 HN1 NH2 18 H1 NH2 18 20.764 3.687 -8.575
117 HN2 NH2 18 H2 NH2 18 21.560 4.356 -9.917
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -0.392 -3.176 4.705
2 H2 GLY 1 HT2 GLY 1 0.641 -2.471 5.854
3 H3 GLY 1 HT3 GLY 1 0.440 -4.157 5.808
4 HA2 GLY 1 HA1 GLY 1 1.714 -4.423 3.931
5 HA3 GLY 1 HA2 GLY 1 1.461 -2.749 3.437
6 H GLU 2 HN GLU 2 2.713 -4.403 6.369
7 HA GLU 2 HA GLU 2 4.474 -2.305 7.124
8 HB2 GLU 2 HB2 GLU 2 4.849 -5.280 7.585
9 HB3 GLU 2 HB1 GLU 2 5.605 -3.980 8.505
10 HG2 GLU 2 HG2 GLU 2 3.369 -3.187 9.212
11 HG3 GLU 2 HG1 GLU 2 2.625 -4.516 8.318
12 H CGU 3 HN GLA 3 4.639 -4.512 4.514
13 HA CGU 3 HA GLA 3 7.443 -4.828 4.187
14 HB2 CGU 3 HB2 GLA 3 5.303 -4.542 2.053
15 HB3 CGU 3 HB3 GLA 3 5.790 -6.054 2.829
16 HG CGU 3 HG GLA 3 7.666 -4.260 1.254
17 H CGU 4 HN GLA 4 5.273 -2.325 2.842
18 HA CGU 4 HA GLA 4 7.241 -0.800 1.514
19 HB2 CGU 4 HB2 GLA 4 4.790 0.249 2.963
20 HB3 CGU 4 HB3 GLA 4 4.790 -0.406 1.325
21 HG CGU 4 HG GLA 4 6.438 1.975 2.240
22 H LEU 5 HN LEU 5 6.249 -0.755 4.926
23 HA LEU 5 HA LEU 5 7.724 1.536 5.726
24 HB2 LEU 5 HB2 LEU 5 6.072 -0.172 7.013
25 HB3 LEU 5 HB1 LEU 5 7.629 -0.763 7.605
26 HG LEU 5 HG LEU 5 6.669 2.112 7.720
27 HD11 LEU 5 HD11 LEU 5 5.951 0.002 9.351
28 HD12 LEU 5 HD12 LEU 5 5.932 1.702 9.824
29 HD13 LEU 5 HD13 LEU 5 7.328 0.695 10.207
30 HD21 LEU 5 HD21 LEU 5 9.015 2.234 7.539
31 HD22 LEU 5 HD22 LEU 5 9.254 0.739 8.444
32 HD23 LEU 5 HD23 LEU 5 8.754 2.206 9.283
33 H ALA 6 HN ALA 6 8.758 -1.711 4.956
34 HA ALA 6 HA ALA 6 11.379 -1.373 6.229
35 HB1 ALA 6 HB1 ALA 6 11.520 -3.491 4.371
36 HB2 ALA 6 HB2 ALA 6 9.875 -3.539 5.007
37 HB3 ALA 6 HB3 ALA 6 11.250 -3.626 6.109
38 H CGU 7 HN GLA 7 10.132 -1.484 2.857
39 HA CGU 7 HA GLA 7 12.514 -1.122 1.448
40 HB2 CGU 7 HB2 GLA 7 11.176 0.136 -0.227
41 HB3 CGU 7 HB3 GLA 7 9.872 0.297 0.950
42 HG CGU 7 HG GLA 7 9.698 -2.178 1.069
43 H ASN 8 HN ASN 8 10.806 1.046 3.519
44 HA ASN 8 HA ASN 8 11.695 3.586 2.980
45 HB2 ASN 8 HB2 ASN 8 10.414 2.460 5.045
46 HB3 ASN 8 HB1 ASN 8 12.007 2.589 5.782
47 HD21 ASN 8 HD21 ASN 8 11.367 4.286 7.250
48 HD22 ASN 8 HD22 ASN 8 11.031 5.868 6.704
49 H GLN 9 HN GLN 9 13.488 1.228 5.000
50 HA GLN 9 HA GLN 9 15.870 2.862 5.068
51 HB2 GLN 9 HB2 GLN 9 16.895 1.061 6.235
52 HB3 GLN 9 HB1 GLN 9 15.203 1.020 6.728
53 HG2 GLN 9 HG2 GLN 9 14.765 -0.715 5.004
54 HG3 GLN 9 HG1 GLN 9 16.478 -0.707 4.587
55 HE21 GLN 9 HE21 GLN 9 14.226 -2.318 6.486
56 HE22 GLN 9 HE22 GLN 9 15.285 -2.973 7.654
57 H CGU 10 HN GLA 10 14.714 0.278 2.968
58 HA CGU 10 HA GLA 10 17.198 -0.219 1.635
59 HB2 CGU 10 HB2 GLA 10 14.382 -0.450 0.544
60 HB3 CGU 10 HB3 GLA 10 15.234 -1.714 1.425
61 HG CGU 10 HG GLA 10 17.031 -1.604 -0.364
62 H PHE 11 HN PHE 11 14.852 2.301 1.372
63 HA PHE 11 HA PHE 11 15.190 3.375 -1.142
64 HB2 PHE 11 HB2 PHE 11 13.948 4.294 0.928
65 HB3 PHE 11 HB1 PHE 11 15.467 5.101 1.307
66 HD1 PHE 11 HD1 PHE 11 16.536 6.577 -0.523
67 HD2 PHE 11 HD2 PHE 11 12.464 5.217 -0.660
68 HE1 PHE 11 HE1 PHE 11 15.996 8.357 -2.166
69 HE2 PHE 11 HE2 PHE 11 11.924 6.997 -2.300
70 HZ PHE 11 HZ PHE 11 13.689 8.566 -3.053
71 H ALA 12 HN ALA 12 17.464 3.651 1.585
72 HA ALA 12 HA ALA 12 19.359 5.340 0.292
73 HB1 ALA 12 HB1 ALA 12 20.156 3.175 2.233
74 HB2 ALA 12 HB2 ALA 12 19.230 4.575 2.774
75 HB3 ALA 12 HB3 ALA 12 20.825 4.797 2.055
76 H ARG 13 HN ARG 13 18.766 1.886 0.062
77 HA ARG 13 HA ARG 13 21.273 1.417 -1.407
78 HB2 ARG 13 HB2 ARG 13 18.900 -0.399 -0.872
79 HB3 ARG 13 HB1 ARG 13 20.416 -0.904 -1.619
80 HG2 ARG 13 HG2 ARG 13 20.259 0.375 1.122
81 HG3 ARG 13 HG1 ARG 13 20.263 -1.370 0.864
82 HD2 ARG 13 HD2 ARG 13 22.413 -0.970 -0.513
83 HD3 ARG 13 HD1 ARG 13 22.452 0.619 0.257
84 HE ARG 13 HE ARG 13 23.198 -0.450 2.212
85 HH11 ARG 13 HH11 ARG 13 21.785 -2.680 0.006
86 HH12 ARG 13 HH12 ARG 13 21.957 -4.043 1.061
87 HH21 ARG 13 HH21 ARG 13 23.313 -2.191 3.662
88 HH22 ARG 13 HH22 ARG 13 22.822 -3.766 3.133
89 H CGU 14 HN GLA 14 17.933 2.154 -2.126
90 HA CGU 14 HA GLA 14 17.652 1.140 -4.707
91 HB2 CGU 14 HB2 GLA 14 16.494 3.658 -4.733
92 HB3 CGU 14 HB3 GLA 14 16.506 3.233 -3.036
93 HG CGU 14 HG GLA 14 15.486 1.037 -3.635
94 H LEU 15 HN LEU 15 19.264 4.111 -3.602
95 HA LEU 15 HA LEU 15 19.843 5.342 -6.045
96 HB2 LEU 15 HB2 LEU 15 21.855 6.255 -4.949
97 HB3 LEU 15 HB1 LEU 15 20.489 6.270 -3.835
98 HG LEU 15 HG LEU 15 21.377 3.900 -3.133
99 HD11 LEU 15 HD11 LEU 15 24.110 4.713 -3.437
100 HD12 LEU 15 HD12 LEU 15 23.355 4.694 -5.030
101 HD13 LEU 15 HD13 LEU 15 23.332 3.246 -4.026
102 HD21 LEU 15 HD21 LEU 15 22.839 4.989 -1.441
103 HD22 LEU 15 HD22 LEU 15 21.315 5.852 -1.648
104 HD23 LEU 15 HD23 LEU 15 22.790 6.480 -2.382
105 H ALA 16 HN ALA 16 21.303 2.488 -4.588
106 HA ALA 16 HA ALA 16 23.606 2.120 -6.093
107 HB1 ALA 16 HB1 ALA 16 23.426 -0.185 -5.626
108 HB2 ALA 16 HB2 ALA 16 21.665 -0.155 -5.710
109 HB3 ALA 16 HB3 ALA 16 22.495 0.565 -4.330
110 H ASN 17 HN ASN 17 20.339 2.173 -7.238
111 HA ASN 17 HA ASN 17 21.021 0.814 -9.767
112 HB2 ASN 17 HB2 ASN 17 18.764 0.591 -8.618
113 HB3 ASN 17 HB1 ASN 17 18.456 2.268 -9.074
114 HD21 ASN 17 HD21 ASN 17 17.264 2.392 -10.975
115 HD22 ASN 17 HD22 ASN 17 17.391 1.303 -12.283
116 HN1 NH2 18 H1 NH2 18 22.105 2.031 -11.313
117 HN2 NH2 18 H2 NH2 18 21.843 3.679 -11.622
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 1.455 -3.426 7.686
2 H2 GLY 1 HT2 GLY 1 0.854 -4.504 6.519
3 H3 GLY 1 HT3 GLY 1 0.013 -3.070 6.867
4 HA2 GLY 1 HA1 GLY 1 1.677 -3.351 4.799
5 HA3 GLY 1 HA2 GLY 1 1.314 -1.807 5.570
6 H GLU 2 HN GLU 2 3.294 -4.594 6.622
7 HA GLU 2 HA GLU 2 5.365 -2.798 7.615
8 HB2 GLU 2 HB2 GLU 2 5.161 -5.808 7.379
9 HB3 GLU 2 HB1 GLU 2 6.594 -4.998 8.012
10 HG2 GLU 2 HG2 GLU 2 5.232 -5.557 9.908
11 HG3 GLU 2 HG1 GLU 2 5.068 -3.818 9.663
12 H CGU 3 HN GLA 3 4.663 -4.313 4.614
13 HA CGU 3 HA GLA 3 7.347 -4.585 3.608
14 HB2 CGU 3 HB2 GLA 3 4.758 -4.115 2.093
15 HB3 CGU 3 HB3 GLA 3 5.405 -5.695 2.548
16 HG CGU 3 HG GLA 3 6.825 -3.672 0.783
17 H CGU 4 HN GLA 4 4.959 -1.953 3.507
18 HA CGU 4 HA GLA 4 6.529 -0.219 1.833
19 HB2 CGU 4 HB2 GLA 4 4.530 0.679 3.919
20 HB3 CGU 4 HB3 GLA 4 4.035 -0.018 2.376
21 HG CGU 4 HG GLA 4 5.357 1.742 1.200
22 H LEU 5 HN LEU 5 6.106 -0.383 5.383
23 HA LEU 5 HA LEU 5 7.867 1.742 6.039
24 HB2 LEU 5 HB2 LEU 5 6.296 0.103 7.498
25 HB3 LEU 5 HB1 LEU 5 7.866 -0.649 7.807
26 HG LEU 5 HG LEU 5 7.231 2.291 8.186
27 HD11 LEU 5 HD11 LEU 5 6.312 0.395 9.806
28 HD12 LEU 5 HD12 LEU 5 6.988 1.889 10.458
29 HD13 LEU 5 HD13 LEU 5 7.969 0.425 10.408
30 HD21 LEU 5 HD21 LEU 5 9.714 0.618 8.410
31 HD22 LEU 5 HD22 LEU 5 9.507 1.994 9.495
32 HD23 LEU 5 HD23 LEU 5 9.521 2.241 7.748
33 H ALA 6 HN ALA 6 8.510 -1.520 4.975
34 HA ALA 6 HA ALA 6 11.302 -1.470 5.861
35 HB1 ALA 6 HB1 ALA 6 10.382 -3.646 5.772
36 HB2 ALA 6 HB2 ALA 6 11.387 -3.560 4.325
37 HB3 ALA 6 HB3 ALA 6 9.638 -3.366 4.198
38 H CGU 7 HN GLA 7 9.569 -1.134 2.729
39 HA CGU 7 HA GLA 7 11.732 -0.963 0.970
40 HB2 CGU 7 HB2 GLA 7 10.311 0.894 -0.182
41 HB3 CGU 7 HB3 GLA 7 9.135 0.573 1.093
42 HG CGU 7 HG GLA 7 9.127 -1.829 0.446
43 H ASN 8 HN ASN 8 10.703 1.237 3.434
44 HA ASN 8 HA ASN 8 11.903 3.651 2.929
45 HB2 ASN 8 HB2 ASN 8 10.804 2.494 5.100
46 HB3 ASN 8 HB1 ASN 8 12.497 2.409 5.573
47 HD21 ASN 8 HD21 ASN 8 10.301 4.149 6.667
48 HD22 ASN 8 HD22 ASN 8 10.868 5.751 6.501
49 H GLN 9 HN GLN 9 13.551 0.729 4.181
50 HA GLN 9 HA GLN 9 16.169 2.027 4.073
51 HB2 GLN 9 HB2 GLN 9 16.138 0.440 5.762
52 HB3 GLN 9 HB1 GLN 9 15.114 -0.666 4.848
53 HG2 GLN 9 HG2 GLN 9 17.492 -1.450 5.091
54 HG3 GLN 9 HG1 GLN 9 16.960 -1.294 3.417
55 HE21 GLN 9 HE21 GLN 9 18.731 -0.514 2.250
56 HE22 GLN 9 HE22 GLN 9 19.714 0.792 2.737
57 H CGU 10 HN GLA 10 14.624 -0.684 2.308
58 HA CGU 10 HA GLA 10 16.698 -1.137 0.457
59 HB2 CGU 10 HB2 GLA 10 13.733 -1.290 -0.125
60 HB3 CGU 10 HB3 GLA 10 14.645 -2.545 0.704
61 HG CGU 10 HG GLA 10 15.147 -1.535 -2.110
62 H PHE 11 HN PHE 11 14.717 1.539 0.826
63 HA PHE 11 HA PHE 11 14.870 2.466 -1.944
64 HB2 PHE 11 HB2 PHE 11 12.966 2.967 -0.475
65 HB3 PHE 11 HB1 PHE 11 14.040 3.849 0.606
66 HD1 PHE 11 HD1 PHE 11 15.409 5.806 -0.424
67 HD2 PHE 11 HD2 PHE 11 11.952 4.070 -2.289
68 HE1 PHE 11 HE1 PHE 11 15.136 7.843 -1.813
69 HE2 PHE 11 HE2 PHE 11 11.678 6.105 -3.678
70 HZ PHE 11 HZ PHE 11 13.270 7.992 -3.440
71 H ALA 12 HN ALA 12 16.657 2.941 1.050
72 HA ALA 12 HA ALA 12 18.083 5.297 0.144
73 HB1 ALA 12 HB1 ALA 12 17.774 4.047 2.569
74 HB2 ALA 12 HB2 ALA 12 18.969 5.302 2.235
75 HB3 ALA 12 HB3 ALA 12 19.426 3.600 2.144
76 H ARG 13 HN ARG 13 18.934 1.827 0.333
77 HA ARG 13 HA ARG 13 21.534 2.248 -0.894
78 HB2 ARG 13 HB2 ARG 13 19.880 -0.264 -0.498
79 HB3 ARG 13 HB1 ARG 13 21.544 -0.248 -1.082
80 HG2 ARG 13 HG2 ARG 13 20.891 1.191 1.465
81 HG3 ARG 13 HG1 ARG 13 21.046 -0.565 1.494
82 HD2 ARG 13 HD2 ARG 13 23.279 -0.307 0.349
83 HD3 ARG 13 HD1 ARG 13 23.128 1.438 0.584
84 HE ARG 13 HE ARG 13 22.728 0.231 3.109
85 HH11 ARG 13 HH21 ARG 13 24.884 -1.601 2.078
86 HH12 ARG 13 HH22 ARG 13 26.321 -0.774 2.577
87 HH21 ARG 13 HH11 ARG 13 24.704 2.237 3.162
88 HH22 ARG 13 HH12 ARG 13 26.219 1.399 3.190
89 H CGU 14 HN GLA 14 18.293 1.562 -2.079
90 HA CGU 14 HA GLA 14 18.770 0.546 -4.609
91 HB2 CGU 14 HB2 GLA 14 16.775 2.484 -4.882
92 HB3 CGU 14 HB3 GLA 14 16.703 2.008 -3.199
93 HG CGU 14 HG GLA 14 16.607 -0.353 -3.870
94 H LEU 15 HN LEU 15 19.064 3.899 -3.477
95 HA LEU 15 HA LEU 15 19.391 5.268 -5.885
96 HB2 LEU 15 HB2 LEU 15 20.741 6.872 -4.663
97 HB3 LEU 15 HB1 LEU 15 19.484 6.278 -3.581
98 HG LEU 15 HG LEU 15 21.272 4.487 -2.903
99 HD11 LEU 15 HD11 LEU 15 23.322 4.715 -3.801
100 HD12 LEU 15 HD12 LEU 15 23.434 6.348 -3.146
101 HD13 LEU 15 HD13 LEU 15 22.758 6.088 -4.752
102 HD21 LEU 15 HD21 LEU 15 21.766 7.345 -2.039
103 HD22 LEU 15 HD22 LEU 15 21.935 5.877 -1.076
104 HD23 LEU 15 HD23 LEU 15 20.333 6.444 -1.545
105 H ALA 16 HN ALA 16 21.654 3.105 -4.263
106 HA ALA 16 HA ALA 16 24.043 3.626 -5.600
107 HB1 ALA 16 HB1 ALA 16 22.969 0.830 -5.151
108 HB2 ALA 16 HB2 ALA 16 23.599 1.834 -3.845
109 HB3 ALA 16 HB3 ALA 16 24.656 1.344 -5.169
110 H ASN 17 HN ASN 17 21.231 1.809 -6.797
111 HA ASN 17 HA ASN 17 22.452 0.981 -9.266
112 HB2 ASN 17 HB2 ASN 17 20.429 -0.108 -8.437
113 HB3 ASN 17 HB1 ASN 17 19.537 1.408 -8.550
114 HD21 ASN 17 HD21 ASN 17 18.265 1.485 -10.395
115 HD22 ASN 17 HD22 ASN 17 18.665 0.777 -11.894
116 HN1 NH2 18 H1 NH2 18 21.524 4.087 -8.198
117 HN2 NH2 18 H2 NH2 18 21.431 4.842 -9.715
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 1.551 -4.709 3.518
2 H2 GLY 1 HT2 GLY 1 0.520 -4.600 4.863
3 H3 GLY 1 HT3 GLY 1 2.109 -5.171 5.050
4 HA2 GLY 1 HA1 GLY 1 2.004 -2.569 3.848
5 HA3 GLY 1 HA2 GLY 1 1.296 -2.618 5.463
6 H GLU 2 HN GLU 2 3.262 -5.106 5.720
7 HA GLU 2 HA GLU 2 5.313 -3.615 7.134
8 HB2 GLU 2 HB2 GLU 2 5.050 -6.551 6.425
9 HB3 GLU 2 HB1 GLU 2 6.355 -5.898 7.416
10 HG2 GLU 2 HG2 GLU 2 3.414 -5.538 8.055
11 HG3 GLU 2 HG1 GLU 2 4.423 -6.805 8.753
12 H CGU 3 HN GLA 3 4.869 -4.458 3.881
13 HA CGU 3 HA GLA 3 7.684 -4.790 3.184
14 HB2 CGU 3 HB2 GLA 3 5.263 -4.178 1.453
15 HB3 CGU 3 HB3 GLA 3 5.922 -5.785 1.783
16 HG CGU 3 HG GLA 3 7.442 -3.532 0.425
17 H CGU 4 HN GLA 4 5.282 -2.207 2.553
18 HA CGU 4 HA GLA 4 7.180 -0.320 1.559
19 HB2 CGU 4 HB2 GLA 4 4.612 0.330 3.031
20 HB3 CGU 4 HB3 GLA 4 4.662 -0.174 1.340
21 HG CGU 4 HG GLA 4 6.095 2.239 2.503
22 H LEU 5 HN LEU 5 6.369 -1.321 4.795
23 HA LEU 5 HA LEU 5 7.336 1.001 6.186
24 HB2 LEU 5 HB2 LEU 5 6.047 -1.275 6.947
25 HB3 LEU 5 HB1 LEU 5 7.692 -1.638 7.485
26 HG LEU 5 HG LEU 5 6.196 0.915 8.142
27 HD11 LEU 5 HD11 LEU 5 6.147 -0.087 10.461
28 HD12 LEU 5 HD12 LEU 5 6.676 -1.610 9.747
29 HD13 LEU 5 HD13 LEU 5 5.120 -0.916 9.291
30 HD21 LEU 5 HD21 LEU 5 8.170 0.706 9.972
31 HD22 LEU 5 HD22 LEU 5 8.391 1.536 8.431
32 HD23 LEU 5 HD23 LEU 5 8.944 -0.128 8.623
33 H ALA 6 HN ALA 6 8.890 -1.959 5.008
34 HA ALA 6 HA ALA 6 11.469 -1.250 6.206
35 HB1 ALA 6 HB1 ALA 6 11.770 -3.459 5.874
36 HB2 ALA 6 HB2 ALA 6 11.843 -3.158 4.139
37 HB3 ALA 6 HB3 ALA 6 10.303 -3.551 4.901
38 H CGU 7 HN GLA 7 9.970 -1.108 2.958
39 HA CGU 7 HA GLA 7 12.153 -0.375 1.383
40 HB2 CGU 7 HB2 GLA 7 10.509 1.124 0.137
41 HB3 CGU 7 HB3 GLA 7 9.326 0.719 1.383
42 HG CGU 7 HG GLA 7 9.646 -1.698 0.851
43 H ASN 8 HN ASN 8 10.506 1.410 3.848
44 HA ASN 8 HA ASN 8 11.183 4.047 3.551
45 HB2 ASN 8 HB2 ASN 8 10.189 2.598 5.567
46 HB3 ASN 8 HB1 ASN 8 11.837 2.758 6.169
47 HD21 ASN 8 HD21 ASN 8 11.440 4.270 7.838
48 HD22 ASN 8 HD22 ASN 8 10.868 5.853 7.549
49 H GLN 9 HN GLN 9 13.347 1.524 4.898
50 HA GLN 9 HA GLN 9 15.608 3.412 4.857
51 HB2 GLN 9 HB2 GLN 9 16.889 1.591 5.857
52 HB3 GLN 9 HB1 GLN 9 15.346 1.743 6.696
53 HG2 GLN 9 HG2 GLN 9 14.417 -0.118 5.454
54 HG3 GLN 9 HG1 GLN 9 15.854 -0.211 4.435
55 HE21 GLN 9 HE21 GLN 9 17.367 -1.732 5.105
56 HE22 GLN 9 HE22 GLN 9 17.523 -2.319 6.699
57 H CGU 10 HN GLA 10 14.431 0.649 3.003
58 HA CGU 10 HA GLA 10 16.667 -0.035 1.507
59 HB2 CGU 10 HB2 GLA 10 13.912 0.378 0.325
60 HB3 CGU 10 HB3 GLA 10 14.366 -1.039 1.272
61 HG CGU 10 HG GLA 10 16.229 -1.446 -0.374
62 H PHE 11 HN PHE 11 14.791 2.873 1.357
63 HA PHE 11 HA PHE 11 15.399 4.014 -1.075
64 HB2 PHE 11 HB2 PHE 11 14.221 5.010 0.974
65 HB3 PHE 11 HB1 PHE 11 15.827 5.495 1.514
66 HD1 PHE 11 HD1 PHE 11 13.638 5.636 -1.534
67 HD2 PHE 11 HD2 PHE 11 16.685 7.554 0.810
68 HE1 PHE 11 HE1 PHE 11 13.555 7.606 -3.038
69 HE2 PHE 11 HE2 PHE 11 16.601 9.524 -0.693
70 HZ PHE 11 HZ PHE 11 15.037 9.551 -2.617
71 H ALA 12 HN ALA 12 17.629 3.267 1.522
72 HA ALA 12 HA ALA 12 19.798 4.918 0.531
73 HB1 ALA 12 HB1 ALA 12 21.058 3.022 2.010
74 HB2 ALA 12 HB2 ALA 12 19.422 2.880 2.650
75 HB3 ALA 12 HB3 ALA 12 20.262 4.429 2.714
76 H ARG 13 HN ARG 13 18.741 1.592 -0.019
77 HA ARG 13 HA ARG 13 21.170 0.978 -1.564
78 HB2 ARG 13 HB2 ARG 13 18.702 -0.548 -0.775
79 HB3 ARG 13 HB1 ARG 13 19.725 -1.154 -2.078
80 HG2 ARG 13 HG2 ARG 13 20.972 -0.321 0.529
81 HG3 ARG 13 HG1 ARG 13 20.210 -1.906 0.390
82 HD2 ARG 13 HD2 ARG 13 22.464 -2.307 -0.202
83 HD3 ARG 13 HD1 ARG 13 21.631 -2.186 -1.755
84 HE ARG 13 HE ARG 13 22.960 -0.301 -2.201
85 HH11 ARG 13 HH21 ARG 13 23.458 -1.289 1.003
86 HH12 ARG 13 HH22 ARG 13 24.142 0.212 1.530
87 HH21 ARG 13 HH11 ARG 13 23.498 1.860 -1.453
88 HH22 ARG 13 HH12 ARG 13 24.167 1.994 0.140
89 H CGU 14 HN GLA 14 17.859 2.005 -2.179
90 HA CGU 14 HA GLA 14 17.474 1.295 -4.816
91 HB2 CGU 14 HB2 GLA 14 16.670 3.963 -4.595
92 HB3 CGU 14 HB3 GLA 14 16.570 3.333 -2.965
93 HG CGU 14 HG GLA 14 15.256 1.422 -3.796
94 H LEU 15 HN LEU 15 19.477 3.939 -3.534
95 HA LEU 15 HA LEU 15 20.164 5.205 -5.956
96 HB2 LEU 15 HB2 LEU 15 22.195 5.951 -4.814
97 HB3 LEU 15 HB1 LEU 15 20.842 5.997 -3.685
98 HG LEU 15 HG LEU 15 21.626 3.516 -3.155
99 HD11 LEU 15 HD11 LEU 15 23.672 2.915 -3.895
100 HD12 LEU 15 HD12 LEU 15 24.375 4.454 -3.403
101 HD13 LEU 15 HD13 LEU 15 23.600 4.304 -4.979
102 HD21 LEU 15 HD21 LEU 15 23.001 4.430 -1.321
103 HD22 LEU 15 HD22 LEU 15 21.545 5.397 -1.550
104 HD23 LEU 15 HD23 LEU 15 23.094 5.980 -2.157
105 H ALA 16 HN ALA 16 21.279 2.176 -4.565
106 HA ALA 16 HA ALA 16 23.586 1.601 -5.986
107 HB1 ALA 16 HB1 ALA 16 23.034 -0.717 -5.770
108 HB2 ALA 16 HB2 ALA 16 21.305 -0.375 -5.764
109 HB3 ALA 16 HB3 ALA 16 22.298 0.080 -4.380
110 H ASN 17 HN ASN 17 20.240 1.401 -7.179
111 HA ASN 17 HA ASN 17 20.893 0.394 -9.779
112 HB2 ASN 17 HB2 ASN 17 18.603 0.332 -8.912
113 HB3 ASN 17 HB1 ASN 17 18.551 2.094 -8.869
114 HD21 ASN 17 HD21 ASN 17 17.431 2.915 -10.628
115 HD22 ASN 17 HD22 ASN 17 17.438 2.245 -12.198
116 HN1 NH2 18 H1 NH2 18 22.910 2.100 -9.724
117 HN2 NH2 18 H2 NH2 18 22.621 3.525 -10.599
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 1.499 0.163 8.216
2 H2 GLY 1 HT2 GLY 1 2.545 -1.083 8.707
3 H3 GLY 1 HT3 GLY 1 1.157 -1.444 7.796
4 HA2 GLY 1 HA1 GLY 1 2.126 -0.961 5.857
5 HA3 GLY 1 HA2 GLY 1 2.923 0.457 6.537
6 H GLU 2 HN GLU 2 3.078 -2.942 7.600
7 HA GLU 2 HA GLU 2 5.773 -3.008 8.265
8 HB2 GLU 2 HB2 GLU 2 4.087 -5.194 7.015
9 HB3 GLU 2 HB1 GLU 2 5.684 -5.467 7.713
10 HG2 GLU 2 HG2 GLU 2 4.826 -4.439 9.857
11 HG3 GLU 2 HG1 GLU 2 3.214 -4.449 9.142
12 H CGU 3 HN GLA 3 4.503 -4.096 5.079
13 HA CGU 3 HA GLA 3 6.951 -4.454 3.784
14 HB2 CGU 3 HB2 GLA 3 4.390 -3.283 2.653
15 HB3 CGU 3 HB3 GLA 3 4.862 -4.987 2.657
16 HG CGU 3 HG GLA 3 6.315 -2.736 1.222
17 H CGU 4 HN GLA 4 5.054 -1.413 3.856
18 HA CGU 4 HA GLA 4 7.008 0.199 2.572
19 HB2 CGU 4 HB2 GLA 4 5.048 1.039 4.731
20 HB3 CGU 4 HB3 GLA 4 4.665 0.920 3.014
21 HG CGU 4 HG GLA 4 6.821 2.699 4.202
22 H LEU 5 HN LEU 5 6.707 -0.871 5.915
23 HA LEU 5 HA LEU 5 8.560 0.921 7.114
24 HB2 LEU 5 HB2 LEU 5 7.018 -1.097 8.053
25 HB3 LEU 5 HB1 LEU 5 8.590 -1.905 8.027
26 HG LEU 5 HG LEU 5 7.986 0.743 9.373
27 HD11 LEU 5 HD11 LEU 5 7.173 -0.674 10.962
28 HD12 LEU 5 HD12 LEU 5 8.878 -0.967 11.306
29 HD13 LEU 5 HD13 LEU 5 7.985 -2.076 10.264
30 HD21 LEU 5 HD21 LEU 5 10.247 0.861 8.709
31 HD22 LEU 5 HD22 LEU 5 10.504 -0.865 8.959
32 HD23 LEU 5 HD23 LEU 5 10.342 0.213 10.346
33 H ALA 6 HN ALA 6 9.014 -2.046 5.258
34 HA ALA 6 HA ALA 6 11.912 -2.061 5.752
35 HB1 ALA 6 HB1 ALA 6 10.506 -3.662 3.612
36 HB2 ALA 6 HB2 ALA 6 10.366 -4.115 5.310
37 HB3 ALA 6 HB3 ALA 6 11.949 -4.083 4.534
38 H CGU 7 HN GLA 7 9.706 -1.316 3.015
39 HA CGU 7 HA GLA 7 11.551 -0.814 0.985
40 HB2 CGU 7 HB2 GLA 7 9.978 0.954 0.178
41 HB3 CGU 7 HB3 GLA 7 9.124 0.860 1.718
42 HG CGU 7 HG GLA 7 8.588 -1.498 1.301
43 H ASN 8 HN ASN 8 10.930 0.954 3.886
44 HA ASN 8 HA ASN 8 12.004 3.456 3.576
45 HB2 ASN 8 HB2 ASN 8 11.277 1.997 5.698
46 HB3 ASN 8 HB1 ASN 8 13.020 1.809 5.856
47 HD21 ASN 8 HD21 ASN 8 13.293 3.181 7.685
48 HD22 ASN 8 HD22 ASN 8 13.006 4.864 7.630
49 H GLN 9 HN GLN 9 13.906 0.464 4.135
50 HA GLN 9 HA GLN 9 16.413 1.925 3.700
51 HB2 GLN 9 HB2 GLN 9 17.520 -0.141 4.199
52 HB3 GLN 9 HB1 GLN 9 16.152 -0.028 5.305
53 HG2 GLN 9 HG2 GLN 9 14.820 -1.466 3.797
54 HG3 GLN 9 HG1 GLN 9 16.201 -1.594 2.708
55 HE21 GLN 9 HE21 GLN 9 17.586 -1.437 5.700
56 HE22 GLN 9 HE22 GLN 9 17.670 -3.099 6.074
57 H CGU 10 HN GLA 10 14.329 -0.270 1.873
58 HA CGU 10 HA GLA 10 16.136 -0.787 -0.268
59 HB2 CGU 10 HB2 GLA 10 13.136 -0.530 -0.491
60 HB3 CGU 10 HB3 GLA 10 13.944 -1.972 0.120
61 HG CGU 10 HG GLA 10 14.361 -0.749 -2.623
62 H PHE 11 HN PHE 11 14.357 1.981 0.608
63 HA PHE 11 HA PHE 11 14.483 3.225 -2.038
64 HB2 PHE 11 HB2 PHE 11 12.620 3.671 -0.577
65 HB3 PHE 11 HB1 PHE 11 13.701 4.210 0.702
66 HD1 PHE 11 HD1 PHE 11 13.344 4.916 -2.976
67 HD2 PHE 11 HD2 PHE 11 13.711 6.521 0.992
68 HE1 PHE 11 HE1 PHE 11 13.306 7.218 -3.902
69 HE2 PHE 11 HE2 PHE 11 13.674 8.821 0.066
70 HZ PHE 11 HZ PHE 11 13.471 9.169 -2.380
71 H ALA 12 HN ALA 12 16.292 3.341 0.992
72 HA ALA 12 HA ALA 12 17.870 5.655 0.174
73 HB1 ALA 12 HB1 ALA 12 17.726 5.441 2.507
74 HB2 ALA 12 HB2 ALA 12 19.330 4.790 2.164
75 HB3 ALA 12 HB3 ALA 12 17.977 3.696 2.456
76 H ARG 13 HN ARG 13 18.249 2.138 0.093
77 HA ARG 13 HA ARG 13 21.008 2.366 -0.906
78 HB2 ARG 13 HB2 ARG 13 20.247 0.497 0.606
79 HB3 ARG 13 HB1 ARG 13 19.271 -0.109 -0.734
80 HG2 ARG 13 HG2 ARG 13 21.355 -0.188 -2.134
81 HG3 ARG 13 HG1 ARG 13 22.281 0.235 -0.693
82 HD2 ARG 13 HD2 ARG 13 21.444 -1.778 0.449
83 HD3 ARG 13 HD1 ARG 13 20.501 -2.204 -0.984
84 HE ARG 13 HE ARG 13 23.236 -1.869 -1.742
85 HH11 ARG 13 HH11 ARG 13 20.886 -4.035 -0.519
86 HH12 ARG 13 HH12 ARG 13 21.945 -5.406 -0.511
87 HH21 ARG 13 HH21 ARG 13 24.734 -3.592 -1.488
88 HH22 ARG 13 HH22 ARG 13 24.122 -5.155 -1.063
89 H CGU 14 HN GLA 14 17.796 2.081 -2.248
90 HA CGU 14 HA GLA 14 18.175 0.838 -4.670
91 HB2 CGU 14 HB2 GLA 14 16.676 3.142 -5.200
92 HB3 CGU 14 HB3 GLA 14 16.400 2.803 -3.505
93 HG CGU 14 HG GLA 14 15.878 0.449 -4.097
94 H LEU 15 HN LEU 15 18.970 4.222 -3.855
95 HA LEU 15 HA LEU 15 19.827 5.144 -6.347
96 HB2 LEU 15 HB2 LEU 15 21.756 6.190 -4.700
97 HB3 LEU 15 HB1 LEU 15 20.129 6.851 -4.867
98 HG LEU 15 HG LEU 15 20.694 4.636 -2.899
99 HD11 LEU 15 HD11 LEU 15 21.410 7.527 -2.728
100 HD12 LEU 15 HD12 LEU 15 22.173 6.134 -1.963
101 HD13 LEU 15 HD13 LEU 15 20.679 6.794 -1.299
102 HD21 LEU 15 HD21 LEU 15 18.405 6.048 -3.754
103 HD22 LEU 15 HD22 LEU 15 18.787 6.694 -2.157
104 HD23 LEU 15 HD23 LEU 15 18.524 4.964 -2.368
105 H ALA 16 HN ALA 16 21.437 2.908 -4.156
106 HA ALA 16 HA ALA 16 24.043 2.839 -5.092
107 HB1 ALA 16 HB1 ALA 16 24.040 0.419 -4.577
108 HB2 ALA 16 HB2 ALA 16 22.278 0.433 -4.534
109 HB3 ALA 16 HB3 ALA 16 23.197 1.335 -3.329
110 H ASN 17 HN ASN 17 21.148 1.761 -6.772
111 HA ASN 17 HA ASN 17 22.738 1.541 -9.254
112 HB2 ASN 17 HB2 ASN 17 21.067 -0.730 -8.136
113 HB3 ASN 17 HB1 ASN 17 21.693 -0.678 -9.785
114 HD21 ASN 17 HD21 ASN 17 22.402 -1.895 -6.751
115 HD22 ASN 17 HD22 ASN 17 24.097 -2.026 -6.902
116 HN1 NH2 18 H1 NH2 18 19.516 1.466 -7.699
117 HN2 NH2 18 H2 NH2 18 18.683 2.129 -9.021
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 1.198 -0.435 5.156
2 H2 GLY 1 HT2 GLY 1 1.378 -1.297 6.608
3 H3 GLY 1 HT3 GLY 1 -0.008 -1.520 5.651
4 HA2 GLY 1 HA1 GLY 1 1.116 -3.342 4.969
5 HA3 GLY 1 HA2 GLY 1 1.811 -2.163 3.859
6 H GLU 2 HN GLU 2 2.505 -4.382 6.345
7 HA GLU 2 HA GLU 2 4.873 -3.210 7.458
8 HB2 GLU 2 HB2 GLU 2 5.445 -5.566 8.078
9 HB3 GLU 2 HB1 GLU 2 3.798 -5.123 8.527
10 HG2 GLU 2 HG2 GLU 2 3.002 -6.146 6.376
11 HG3 GLU 2 HG1 GLU 2 4.647 -6.715 6.092
12 H CGU 3 HN GLA 3 4.244 -4.079 4.314
13 HA CGU 3 HA GLA 3 6.959 -5.084 3.713
14 HB2 CGU 3 HB2 GLA 3 4.586 -4.488 1.917
15 HB3 CGU 3 HB3 GLA 3 5.070 -6.080 2.510
16 HG CGU 3 HG GLA 3 6.800 -4.282 0.779
17 H CGU 4 HN GLA 4 5.023 -2.163 3.379
18 HA CGU 4 HA GLA 4 7.026 -0.818 1.720
19 HB2 CGU 4 HB2 GLA 4 4.644 0.330 3.208
20 HB3 CGU 4 HB3 GLA 4 4.599 -0.287 1.556
21 HG CGU 4 HG GLA 4 6.415 1.389 0.989
22 H LEU 5 HN LEU 5 6.273 -1.089 5.137
23 HA LEU 5 HA LEU 5 7.659 1.206 6.085
24 HB2 LEU 5 HB2 LEU 5 6.228 -0.761 7.279
25 HB3 LEU 5 HB1 LEU 5 7.866 -1.274 7.699
26 HG LEU 5 HG LEU 5 6.797 1.528 8.136
27 HD11 LEU 5 HD11 LEU 5 6.599 -0.943 9.732
28 HD12 LEU 5 HD12 LEU 5 5.663 0.548 9.845
29 HD13 LEU 5 HD13 LEU 5 7.245 0.439 10.617
30 HD21 LEU 5 HD21 LEU 5 9.415 0.185 8.438
31 HD22 LEU 5 HD22 LEU 5 8.915 1.152 9.826
32 HD23 LEU 5 HD23 LEU 5 9.046 1.897 8.233
33 H ALA 6 HN ALA 6 8.823 -1.928 4.993
34 HA ALA 6 HA ALA 6 11.531 -1.444 6.024
35 HB1 ALA 6 HB1 ALA 6 10.957 -3.523 3.943
36 HB2 ALA 6 HB2 ALA 6 10.258 -3.735 5.547
37 HB3 ALA 6 HB3 ALA 6 12.007 -3.612 5.357
38 H CGU 7 HN GLA 7 9.869 -1.285 2.854
39 HA CGU 7 HA GLA 7 12.058 -0.911 1.158
40 HB2 CGU 7 HB2 GLA 7 10.611 0.579 -0.193
41 HB3 CGU 7 HB3 GLA 7 9.494 0.724 1.166
42 HG CGU 7 HG GLA 7 9.001 -1.654 1.078
43 H ASN 8 HN ASN 8 10.700 1.202 3.562
44 HA ASN 8 HA ASN 8 11.805 3.681 3.137
45 HB2 ASN 8 HB2 ASN 8 10.582 2.471 5.219
46 HB3 ASN 8 HB1 ASN 8 12.230 2.492 5.835
47 HD21 ASN 8 HD21 ASN 8 12.021 4.153 7.378
48 HD22 ASN 8 HD22 ASN 8 11.616 5.763 6.979
49 H GLN 9 HN GLN 9 13.488 0.898 4.651
50 HA GLN 9 HA GLN 9 16.018 2.250 4.878
51 HB2 GLN 9 HB2 GLN 9 16.882 0.199 5.598
52 HB3 GLN 9 HB1 GLN 9 15.174 0.033 6.006
53 HG2 GLN 9 HG2 GLN 9 14.830 -1.089 3.772
54 HG3 GLN 9 HG1 GLN 9 16.580 -1.072 3.557
55 HE21 GLN 9 HE21 GLN 9 16.400 -1.395 6.781
56 HE22 GLN 9 HE22 GLN 9 16.312 -3.093 6.928
57 H CGU 10 HN GLA 10 14.713 -0.025 2.450
58 HA CGU 10 HA GLA 10 16.965 -0.257 0.816
59 HB2 CGU 10 HB2 GLA 10 14.043 -0.426 0.380
60 HB3 CGU 10 HB3 GLA 10 15.307 -1.558 -0.081
61 HG CGU 10 HG GLA 10 15.984 0.177 -1.862
62 H PHE 11 HN PHE 11 14.628 2.304 0.979
63 HA PHE 11 HA PHE 11 15.080 3.878 -1.191
64 HB2 PHE 11 HB2 PHE 11 13.661 4.304 0.875
65 HB3 PHE 11 HB1 PHE 11 15.105 5.019 1.588
66 HD1 PHE 11 HD1 PHE 11 13.026 5.168 -1.528
67 HD2 PHE 11 HD2 PHE 11 15.568 7.288 1.209
68 HE1 PHE 11 HE1 PHE 11 12.589 7.277 -2.756
69 HE2 PHE 11 HE2 PHE 11 15.130 9.399 -0.018
70 HZ PHE 11 HZ PHE 11 13.640 9.393 -2.000
71 H ALA 12 HN ALA 12 17.441 3.303 1.351
72 HA ALA 12 HA ALA 12 19.106 5.576 0.572
73 HB1 ALA 12 HB1 ALA 12 20.191 5.143 2.499
74 HB2 ALA 12 HB2 ALA 12 20.466 3.459 2.055
75 HB3 ALA 12 HB3 ALA 12 18.944 3.936 2.806
76 H ARG 13 HN ARG 13 19.473 2.033 0.260
77 HA ARG 13 HA ARG 13 21.820 2.324 -1.468
78 HB2 ARG 13 HB2 ARG 13 20.141 0.047 -0.479
79 HB3 ARG 13 HB1 ARG 13 21.353 -0.204 -1.733
80 HG2 ARG 13 HG2 ARG 13 21.980 1.124 0.916
81 HG3 ARG 13 HG1 ARG 13 22.167 -0.609 0.649
82 HD2 ARG 13 HD2 ARG 13 23.548 0.160 -1.460
83 HD3 ARG 13 HD1 ARG 13 23.705 1.670 -0.557
84 HE ARG 13 HE ARG 13 24.361 -0.439 1.216
85 HH11 ARG 13 HH21 ARG 13 25.561 -1.214 -1.557
86 HH12 ARG 13 HH22 ARG 13 27.176 -0.624 -1.356
87 HH21 ARG 13 HH11 ARG 13 26.413 1.290 1.433
88 HH22 ARG 13 HH12 ARG 13 27.659 0.792 0.340
89 H CGU 14 HN GLA 14 18.401 1.945 -1.898
90 HA CGU 14 HA GLA 14 18.127 0.696 -4.337
91 HB2 CGU 14 HB2 GLA 14 16.539 2.137 -2.681
92 HB3 CGU 14 HB3 GLA 14 16.022 1.590 -4.271
93 HG CGU 14 HG GLA 14 17.400 4.212 -3.759
94 H LEU 15 HN LEU 15 19.064 4.033 -3.725
95 HA LEU 15 HA LEU 15 19.252 4.974 -6.383
96 HB2 LEU 15 HB2 LEU 15 20.830 6.628 -5.548
97 HB3 LEU 15 HB1 LEU 15 19.595 6.363 -4.319
98 HG LEU 15 HG LEU 15 21.241 4.561 -3.393
99 HD11 LEU 15 HD11 LEU 15 23.574 6.042 -4.078
100 HD12 LEU 15 HD12 LEU 15 22.756 5.640 -5.586
101 HD13 LEU 15 HD13 LEU 15 23.210 4.360 -4.463
102 HD21 LEU 15 HD21 LEU 15 22.277 6.239 -1.971
103 HD22 LEU 15 HD22 LEU 15 20.623 6.743 -2.316
104 HD23 LEU 15 HD23 LEU 15 21.969 7.498 -3.168
105 H ALA 16 HN ALA 16 21.349 2.832 -4.581
106 HA ALA 16 HA ALA 16 23.729 2.869 -6.005
107 HB1 ALA 16 HB1 ALA 16 23.330 1.343 -4.121
108 HB2 ALA 16 HB2 ALA 16 23.892 0.435 -5.524
109 HB3 ALA 16 HB3 ALA 16 22.182 0.422 -5.092
110 H ASN 17 HN ASN 17 20.659 1.371 -6.989
111 HA ASN 17 HA ASN 17 21.711 0.197 -9.407
112 HB2 ASN 17 HB2 ASN 17 19.613 -0.594 -8.410
113 HB3 ASN 17 HB1 ASN 17 18.875 0.985 -8.675
114 HD21 ASN 17 HD21 ASN 17 20.910 0.494 -11.273
115 HD22 ASN 17 HD22 ASN 17 19.797 -0.196 -12.367
116 HN1 NH2 18 H1 NH2 18 19.037 2.472 -9.777
117 HN2 NH2 18 H2 NH2 18 19.836 3.522 -10.843
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 0.453 -3.289 7.780
2 H2 GLY 1 HT2 GLY 1 1.436 -4.669 7.919
3 H3 GLY 1 HT3 GLY 1 -0.071 -4.770 7.141
4 HA2 GLY 1 HA1 GLY 1 1.557 -4.741 5.442
5 HA3 GLY 1 HA2 GLY 1 0.774 -3.161 5.453
6 H GLU 2 HN GLU 2 3.494 -4.818 7.093
7 HA GLU 2 HA GLU 2 4.898 -2.298 7.519
8 HB2 GLU 2 HB2 GLU 2 5.803 -5.179 7.819
9 HB3 GLU 2 HB1 GLU 2 6.746 -3.776 8.320
10 HG2 GLU 2 HG2 GLU 2 5.624 -4.483 10.290
11 HG3 GLU 2 HG1 GLU 2 4.690 -3.102 9.712
12 H CGU 3 HN GLA 3 4.300 -3.850 4.747
13 HA CGU 3 HA GLA 3 6.759 -4.315 3.460
14 HB2 CGU 3 HB2 GLA 3 4.217 -3.116 2.317
15 HB3 CGU 3 HB3 GLA 3 4.628 -4.833 2.385
16 HG CGU 3 HG GLA 3 6.118 -2.688 0.836
17 H CGU 4 HN GLA 4 4.906 -1.240 3.534
18 HA CGU 4 HA GLA 4 6.868 0.315 2.180
19 HB2 CGU 4 HB2 GLA 4 4.978 1.275 4.351
20 HB3 CGU 4 HB3 GLA 4 4.512 1.046 2.665
21 HG CGU 4 HG GLA 4 6.386 2.633 2.039
22 H LEU 5 HN LEU 5 6.470 -0.474 5.617
23 HA LEU 5 HA LEU 5 8.392 1.242 6.734
24 HB2 LEU 5 HB2 LEU 5 6.824 -0.669 7.763
25 HB3 LEU 5 HB1 LEU 5 8.333 -1.587 7.684
26 HG LEU 5 HG LEU 5 7.999 1.119 9.005
27 HD11 LEU 5 HD11 LEU 5 6.959 -0.344 10.491
28 HD12 LEU 5 HD12 LEU 5 8.634 -0.435 11.039
29 HD13 LEU 5 HD13 LEU 5 7.971 -1.708 10.013
30 HD21 LEU 5 HD21 LEU 5 10.315 0.324 9.945
31 HD22 LEU 5 HD22 LEU 5 10.245 1.024 8.328
32 HD23 LEU 5 HD23 LEU 5 10.330 -0.725 8.527
33 H ALA 6 HN ALA 6 8.855 -1.895 5.119
34 HA ALA 6 HA ALA 6 11.743 -1.838 5.590
35 HB1 ALA 6 HB1 ALA 6 10.608 -3.594 3.468
36 HB2 ALA 6 HB2 ALA 6 10.014 -3.863 5.107
37 HB3 ALA 6 HB3 ALA 6 11.740 -3.981 4.764
38 H CGU 7 HN GLA 7 9.579 -1.299 2.770
39 HA CGU 7 HA GLA 7 11.470 -0.915 0.752
40 HB2 CGU 7 HB2 GLA 7 9.895 0.849 -0.153
41 HB3 CGU 7 HB3 GLA 7 8.970 0.706 1.343
42 HG CGU 7 HG GLA 7 8.692 -1.737 0.878
43 H ASN 8 HN ASN 8 10.735 1.044 3.512
44 HA ASN 8 HA ASN 8 11.829 3.524 3.064
45 HB2 ASN 8 HB2 ASN 8 11.008 2.223 5.254
46 HB3 ASN 8 HB1 ASN 8 12.741 2.035 5.492
47 HD21 ASN 8 HD21 ASN 8 13.178 3.545 7.106
48 HD22 ASN 8 HD22 ASN 8 12.820 5.212 6.985
49 H GLN 9 HN GLN 9 13.684 0.599 3.984
50 HA GLN 9 HA GLN 9 16.239 1.937 3.635
51 HB2 GLN 9 HB2 GLN 9 15.398 -0.331 4.943
52 HB3 GLN 9 HB1 GLN 9 16.219 -1.004 3.535
53 HG2 GLN 9 HG2 GLN 9 18.248 0.186 4.052
54 HG3 GLN 9 HG1 GLN 9 17.441 1.122 5.311
55 HE21 GLN 9 HE21 GLN 9 17.783 0.326 7.386
56 HE22 GLN 9 HE22 GLN 9 18.128 -1.302 7.766
57 H CGU 10 HN GLA 10 14.454 -0.543 1.768
58 HA CGU 10 HA GLA 10 16.295 -0.926 -0.298
59 HB2 CGU 10 HB2 GLA 10 13.283 -0.769 -0.520
60 HB3 CGU 10 HB3 GLA 10 14.218 -2.213 -0.145
61 HG CGU 10 HG GLA 10 14.390 -0.616 -2.715
62 H PHE 11 HN PHE 11 14.450 1.824 0.443
63 HA PHE 11 HA PHE 11 14.699 3.051 -2.200
64 HB2 PHE 11 HB2 PHE 11 12.816 3.488 -0.668
65 HB3 PHE 11 HB1 PHE 11 13.941 4.198 0.486
66 HD1 PHE 11 HD1 PHE 11 13.232 4.467 -3.198
67 HD2 PHE 11 HD2 PHE 11 14.031 6.530 0.483
68 HE1 PHE 11 HE1 PHE 11 13.064 6.642 -4.380
69 HE2 PHE 11 HE2 PHE 11 13.862 8.703 -0.696
70 HZ PHE 11 HZ PHE 11 13.379 8.759 -3.128
71 H ALA 12 HN ALA 12 16.351 3.236 0.931
72 HA ALA 12 HA ALA 12 18.047 5.461 0.171
73 HB1 ALA 12 HB1 ALA 12 18.016 3.467 2.418
74 HB2 ALA 12 HB2 ALA 12 17.879 5.224 2.490
75 HB3 ALA 12 HB3 ALA 12 19.443 4.473 2.169
76 H ARG 13 HN ARG 13 18.355 1.928 0.082
77 HA ARG 13 HA ARG 13 21.129 2.066 -0.854
78 HB2 ARG 13 HB2 ARG 13 20.358 0.150 0.499
79 HB3 ARG 13 HB1 ARG 13 19.198 -0.270 -0.762
80 HG2 ARG 13 HG2 ARG 13 20.977 -0.699 -2.347
81 HG3 ARG 13 HG1 ARG 13 22.189 -0.094 -1.215
82 HD2 ARG 13 HD2 ARG 13 21.649 -1.913 0.352
83 HD3 ARG 13 HD1 ARG 13 20.424 -2.519 -0.767
84 HE ARG 13 HE ARG 13 22.853 -2.391 -2.204
85 HH11 ARG 13 HH11 ARG 13 21.084 -4.840 -1.674
86 HH12 ARG 13 HH12 ARG 13 22.211 -5.890 -0.880
87 HH21 ARG 13 HH21 ARG 13 24.500 -3.370 -0.222
88 HH22 ARG 13 HH22 ARG 13 24.146 -5.058 -0.061
89 H CGU 14 HN GLA 14 17.943 1.996 -2.286
90 HA CGU 14 HA GLA 14 18.371 0.916 -4.791
91 HB2 CGU 14 HB2 GLA 14 16.905 3.265 -5.182
92 HB3 CGU 14 HB3 GLA 14 16.589 2.817 -3.520
93 HG CGU 14 HG GLA 14 15.964 0.563 -4.222
94 H LEU 15 HN LEU 15 19.305 4.117 -3.571
95 HA LEU 15 HA LEU 15 20.179 5.321 -5.956
96 HB2 LEU 15 HB2 LEU 15 21.607 6.707 -4.585
97 HB3 LEU 15 HB1 LEU 15 20.153 6.366 -3.648
98 HG LEU 15 HG LEU 15 21.531 4.306 -2.776
99 HD11 LEU 15 HD11 LEU 15 23.451 5.576 -4.439
100 HD12 LEU 15 HD12 LEU 15 23.701 4.207 -3.358
101 HD13 LEU 15 HD13 LEU 15 23.962 5.851 -2.774
102 HD21 LEU 15 HD21 LEU 15 22.227 5.618 -0.881
103 HD22 LEU 15 HD22 LEU 15 20.744 6.349 -1.494
104 HD23 LEU 15 HD23 LEU 15 22.305 7.087 -1.854
105 H ALA 16 HN ALA 16 21.681 2.791 -4.031
106 HA ALA 16 HA ALA 16 24.306 2.757 -4.900
107 HB1 ALA 16 HB1 ALA 16 24.158 0.249 -4.798
108 HB2 ALA 16 HB2 ALA 16 22.408 0.405 -4.639
109 HB3 ALA 16 HB3 ALA 16 23.467 1.050 -3.385
110 H ASN 17 HN ASN 17 21.443 2.160 -6.805
111 HA ASN 17 HA ASN 17 23.133 1.327 -9.115
112 HB2 ASN 17 HB2 ASN 17 21.259 -0.160 -8.690
113 HB3 ASN 17 HB1 ASN 17 20.137 1.201 -8.666
114 HD21 ASN 17 HD21 ASN 17 21.277 -1.239 -10.663
115 HD22 ASN 17 HD22 ASN 17 20.939 -0.526 -12.175
116 HN1 NH2 18 H1 NH2 18 20.245 3.447 -8.598
117 HN2 NH2 18 H2 NH2 18 20.749 4.642 -9.692
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 2.132 -3.924 4.973
2 H2 GLY 1 HT2 GLY 1 1.529 -2.639 4.039
3 H3 GLY 1 HT3 GLY 1 0.681 -3.166 5.413
4 HA2 GLY 1 HA1 GLY 1 2.464 -1.107 5.323
5 HA3 GLY 1 HA2 GLY 1 1.870 -1.904 6.781
6 H GLU 2 HN GLU 2 3.057 -4.200 7.044
7 HA GLU 2 HA GLU 2 5.668 -3.792 7.863
8 HB2 GLU 2 HB2 GLU 2 5.988 -6.188 7.797
9 HB3 GLU 2 HB1 GLU 2 4.303 -5.888 8.224
10 HG2 GLU 2 HG2 GLU 2 4.156 -7.549 6.557
11 HG3 GLU 2 HG1 GLU 2 3.849 -6.053 5.673
12 H CGU 3 HN GLA 3 4.515 -4.012 4.617
13 HA CGU 3 HA GLA 3 7.150 -4.615 3.473
14 HB2 CGU 3 HB2 GLA 3 4.610 -3.664 2.114
15 HB3 CGU 3 HB3 GLA 3 5.047 -5.357 2.366
16 HG CGU 3 HG GLA 3 6.716 -3.347 0.819
17 H CGU 4 HN GLA 4 4.936 -1.794 3.446
18 HA CGU 4 HA GLA 4 6.717 -0.003 2.154
19 HB2 CGU 4 HB2 GLA 4 4.736 0.749 4.322
20 HB3 CGU 4 HB3 GLA 4 4.265 0.398 2.658
21 HG CGU 4 HG GLA 4 5.951 2.184 1.948
22 H LEU 5 HN LEU 5 6.243 -0.625 5.644
23 HA LEU 5 HA LEU 5 8.069 1.206 6.700
24 HB2 LEU 5 HB2 LEU 5 6.575 -0.712 7.808
25 HB3 LEU 5 HB1 LEU 5 8.119 -1.573 7.793
26 HG LEU 5 HG LEU 5 7.710 1.199 8.943
27 HD11 LEU 5 HD11 LEU 5 8.404 -0.510 11.006
28 HD12 LEU 5 HD12 LEU 5 7.286 -1.484 10.051
29 HD13 LEU 5 HD13 LEU 5 6.777 0.084 10.679
30 HD21 LEU 5 HD21 LEU 5 10.042 -0.589 8.487
31 HD22 LEU 5 HD22 LEU 5 9.986 0.232 10.048
32 HD23 LEU 5 HD23 LEU 5 9.972 1.172 8.555
33 H ALA 6 HN ALA 6 8.710 -1.917 5.152
34 HA ALA 6 HA ALA 6 11.578 -1.757 5.735
35 HB1 ALA 6 HB1 ALA 6 10.974 -3.982 5.561
36 HB2 ALA 6 HB2 ALA 6 11.476 -3.695 3.894
37 HB3 ALA 6 HB3 ALA 6 9.763 -3.669 4.317
38 H CGU 7 HN GLA 7 9.483 -1.309 2.849
39 HA CGU 7 HA GLA 7 11.415 -0.906 0.874
40 HB2 CGU 7 HB2 GLA 7 9.827 0.789 -0.109
41 HB3 CGU 7 HB3 GLA 7 8.879 0.692 1.375
42 HG CGU 7 HG GLA 7 8.579 -1.742 1.004
43 H ASN 8 HN ASN 8 10.582 1.063 3.595
44 HA ASN 8 HA ASN 8 11.633 3.560 3.143
45 HB2 ASN 8 HB2 ASN 8 10.795 2.270 5.333
46 HB3 ASN 8 HB1 ASN 8 12.527 2.118 5.606
47 HD21 ASN 8 HD21 ASN 8 12.942 3.662 7.180
48 HD22 ASN 8 HD22 ASN 8 12.547 5.318 7.036
49 H GLN 9 HN GLN 9 13.532 0.668 4.094
50 HA GLN 9 HA GLN 9 16.050 2.107 3.720
51 HB2 GLN 9 HB2 GLN 9 17.086 -0.123 4.177
52 HB3 GLN 9 HB1 GLN 9 15.951 0.384 5.425
53 HG2 GLN 9 HG2 GLN 9 14.282 -1.116 4.685
54 HG3 GLN 9 HG1 GLN 9 15.067 -1.354 3.123
55 HE21 GLN 9 HE21 GLN 9 14.484 -3.027 5.868
56 HE22 GLN 9 HE22 GLN 9 15.904 -3.967 5.967
57 H CGU 10 HN GLA 10 14.119 -0.207 1.874
58 HA CGU 10 HA GLA 10 16.077 -0.828 -0.098
59 HB2 CGU 10 HB2 GLA 10 13.095 -0.619 -0.537
60 HB3 CGU 10 HB3 GLA 10 13.883 -2.015 0.193
61 HG CGU 10 HG GLA 10 14.433 -0.918 -2.579
62 H PHE 11 HN PHE 11 14.333 2.000 0.513
63 HA PHE 11 HA PHE 11 14.569 3.074 -2.202
64 HB2 PHE 11 HB2 PHE 11 12.687 3.637 -0.739
65 HB3 PHE 11 HB1 PHE 11 13.801 4.338 0.430
66 HD1 PHE 11 HD1 PHE 11 15.341 6.256 -0.393
67 HD2 PHE 11 HD2 PHE 11 11.833 4.952 -2.502
68 HE1 PHE 11 HE1 PHE 11 15.284 8.406 -1.629
69 HE2 PHE 11 HE2 PHE 11 11.776 7.104 -3.737
70 HZ PHE 11 HZ PHE 11 13.500 8.829 -3.300
71 H ALA 12 HN ALA 12 16.362 3.170 0.807
72 HA ALA 12 HA ALA 12 18.021 5.440 -0.011
73 HB1 ALA 12 HB1 ALA 12 17.411 4.421 2.416
74 HB2 ALA 12 HB2 ALA 12 18.867 5.371 2.119
75 HB3 ALA 12 HB3 ALA 12 18.951 3.608 2.137
76 H ARG 13 HN ARG 13 18.287 1.908 -0.006
77 HA ARG 13 HA ARG 13 21.085 2.009 -0.891
78 HB2 ARG 13 HB2 ARG 13 20.196 0.142 0.524
79 HB3 ARG 13 HB1 ARG 13 19.181 -0.353 -0.832
80 HG2 ARG 13 HG2 ARG 13 21.255 -0.569 -2.231
81 HG3 ARG 13 HG1 ARG 13 22.210 -0.241 -0.785
82 HD2 ARG 13 HD2 ARG 13 20.265 -2.542 -1.141
83 HD3 ARG 13 HD1 ARG 13 22.027 -2.665 -1.157
84 HE ARG 13 HE ARG 13 21.353 -1.443 1.286
85 HH11 ARG 13 HH21 ARG 13 18.980 -3.235 1.217
86 HH12 ARG 13 HH22 ARG 13 19.584 -4.690 1.934
87 HH21 ARG 13 HH11 ARG 13 22.917 -3.822 1.521
88 HH22 ARG 13 HH12 ARG 13 21.814 -5.021 2.107
89 H CGU 14 HN GLA 14 17.916 1.875 -2.364
90 HA CGU 14 HA GLA 14 18.430 0.741 -4.844
91 HB2 CGU 14 HB2 GLA 14 16.849 2.988 -5.311
92 HB3 CGU 14 HB3 GLA 14 16.541 2.590 -3.635
93 HG CGU 14 HG GLA 14 16.157 0.221 -4.334
94 H LEU 15 HN LEU 15 19.151 4.020 -3.686
95 HA LEU 15 HA LEU 15 19.997 5.215 -6.080
96 HB2 LEU 15 HB2 LEU 15 21.346 6.694 -4.702
97 HB3 LEU 15 HB1 LEU 15 19.862 6.328 -3.825
98 HG LEU 15 HG LEU 15 21.256 4.349 -2.815
99 HD11 LEU 15 HD11 LEU 15 23.220 5.635 -4.437
100 HD12 LEU 15 HD12 LEU 15 23.444 4.278 -3.335
101 HD13 LEU 15 HD13 LEU 15 23.654 5.929 -2.754
102 HD21 LEU 15 HD21 LEU 15 21.941 7.176 -1.968
103 HD22 LEU 15 HD22 LEU 15 21.822 5.745 -0.944
104 HD23 LEU 15 HD23 LEU 15 20.369 6.438 -1.664
105 H ALA 16 HN ALA 16 21.619 2.836 -4.063
106 HA ALA 16 HA ALA 16 24.255 2.938 -4.888
107 HB1 ALA 16 HB1 ALA 16 22.565 0.425 -4.702
108 HB2 ALA 16 HB2 ALA 16 23.350 1.226 -3.341
109 HB3 ALA 16 HB3 ALA 16 24.325 0.493 -4.615
110 H ASN 17 HN ASN 17 21.471 1.944 -6.795
111 HA ASN 17 HA ASN 17 23.304 1.649 -9.144
112 HB2 ASN 17 HB2 ASN 17 20.690 0.187 -8.640
113 HB3 ASN 17 HB1 ASN 17 21.725 -0.003 -10.056
114 HD21 ASN 17 HD21 ASN 17 21.106 -1.237 -6.943
115 HD22 ASN 17 HD22 ASN 17 22.555 -2.115 -6.738
116 HN1 NH2 18 H1 NH2 18 19.722 1.807 -8.937
117 HN2 NH2 18 H2 NH2 18 19.574 3.217 -9.870
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 1.124 -1.075 5.279
2 H2 GLY 1 HT2 GLY 1 2.004 -0.795 6.707
3 H3 GLY 1 HT3 GLY 1 0.461 -1.504 6.780
4 HA2 GLY 1 HA1 GLY 1 1.505 -3.455 6.836
5 HA3 GLY 1 HA2 GLY 1 1.795 -3.178 5.120
6 H GLU 2 HN GLU 2 3.479 -4.428 7.345
7 HA GLU 2 HA GLU 2 5.702 -2.754 7.932
8 HB2 GLU 2 HB2 GLU 2 6.955 -4.938 8.188
9 HB3 GLU 2 HB1 GLU 2 5.448 -4.851 9.103
10 HG2 GLU 2 HG2 GLU 2 5.381 -6.975 8.049
11 HG3 GLU 2 HG1 GLU 2 4.344 -5.953 7.055
12 H CGU 3 HN GLA 3 4.900 -4.640 5.064
13 HA CGU 3 HA GLA 3 7.423 -4.630 3.776
14 HB2 CGU 3 HB2 GLA 3 4.628 -4.441 2.614
15 HB3 CGU 3 HB3 GLA 3 5.580 -5.909 2.858
16 HG CGU 3 HG GLA 3 7.328 -4.827 1.307
17 H CGU 4 HN GLA 4 4.744 -2.324 3.156
18 HA CGU 4 HA GLA 4 6.216 -0.476 1.638
19 HB2 CGU 4 HB2 GLA 4 4.063 0.207 3.662
20 HB3 CGU 4 HB3 GLA 4 3.743 -0.385 2.032
21 HG CGU 4 HG GLA 4 5.251 2.153 2.737
22 H LEU 5 HN LEU 5 5.953 -0.780 5.162
23 HA LEU 5 HA LEU 5 7.444 1.590 5.794
24 HB2 LEU 5 HB2 LEU 5 6.018 -0.201 7.258
25 HB3 LEU 5 HB1 LEU 5 7.662 -0.729 7.628
26 HG LEU 5 HG LEU 5 6.692 2.132 7.855
27 HD11 LEU 5 HD11 LEU 5 5.651 0.500 9.490
28 HD12 LEU 5 HD12 LEU 5 6.600 1.784 10.238
29 HD13 LEU 5 HD13 LEU 5 7.277 0.163 10.082
30 HD21 LEU 5 HD21 LEU 5 9.296 0.738 8.154
31 HD22 LEU 5 HD22 LEU 5 8.910 1.916 9.407
32 HD23 LEU 5 HD23 LEU 5 8.962 2.413 7.715
33 H ALA 6 HN ALA 6 8.372 -1.656 4.861
34 HA ALA 6 HA ALA 6 11.151 -1.314 5.725
35 HB1 ALA 6 HB1 ALA 6 11.392 -3.455 4.238
36 HB2 ALA 6 HB2 ALA 6 9.628 -3.432 4.215
37 HB3 ALA 6 HB3 ALA 6 10.488 -3.566 5.749
38 H CGU 7 HN GLA 7 9.325 -1.054 2.670
39 HA CGU 7 HA GLA 7 11.397 -0.925 0.803
40 HB2 CGU 7 HB2 GLA 7 9.999 0.726 -0.439
41 HB3 CGU 7 HB3 GLA 7 8.991 0.921 0.995
42 HG CGU 7 HG GLA 7 8.375 -1.449 0.912
43 H ASN 8 HN ASN 8 10.463 1.358 3.253
44 HA ASN 8 HA ASN 8 11.757 3.711 2.671
45 HB2 ASN 8 HB2 ASN 8 10.613 2.613 4.875
46 HB3 ASN 8 HB1 ASN 8 12.305 2.573 5.360
47 HD21 ASN 8 HD21 ASN 8 10.047 4.324 6.333
48 HD22 ASN 8 HD22 ASN 8 10.599 5.926 6.118
49 H GLN 9 HN GLN 9 13.283 0.886 4.259
50 HA GLN 9 HA GLN 9 15.936 1.966 4.189
51 HB2 GLN 9 HB2 GLN 9 14.798 -0.165 5.417
52 HB3 GLN 9 HB1 GLN 9 15.622 -0.981 4.087
53 HG2 GLN 9 HG2 GLN 9 17.707 0.312 4.713
54 HG3 GLN 9 HG1 GLN 9 16.850 0.844 6.161
55 HE21 GLN 9 HE21 GLN 9 17.426 -0.427 7.921
56 HE22 GLN 9 HE22 GLN 9 17.725 -2.105 7.863
57 H CGU 10 HN GLA 10 14.255 -0.342 2.034
58 HA CGU 10 HA GLA 10 16.319 -1.010 0.322
59 HB2 CGU 10 HB2 GLA 10 13.395 -0.628 -0.042
60 HB3 CGU 10 HB3 GLA 10 14.380 -2.053 -0.354
61 HG CGU 10 HG GLA 10 14.260 0.438 -2.075
62 H PHE 11 HN PHE 11 14.411 1.912 0.277
63 HA PHE 11 HA PHE 11 15.311 3.199 -2.006
64 HB2 PHE 11 HB2 PHE 11 13.611 3.939 -0.321
65 HB3 PHE 11 HB1 PHE 11 14.946 4.472 0.695
66 HD1 PHE 11 HD1 PHE 11 13.918 4.750 -2.913
67 HD2 PHE 11 HD2 PHE 11 15.506 6.729 0.553
68 HE1 PHE 11 HE1 PHE 11 14.047 6.877 -4.185
69 HE2 PHE 11 HE2 PHE 11 15.635 8.853 -0.719
70 HZ PHE 11 HZ PHE 11 14.906 8.928 -3.088
71 H ALA 12 HN ALA 12 16.815 3.494 1.225
72 HA ALA 12 HA ALA 12 18.930 5.178 0.582
73 HB1 ALA 12 HB1 ALA 12 18.305 4.171 2.858
74 HB2 ALA 12 HB2 ALA 12 20.024 4.408 2.537
75 HB3 ALA 12 HB3 ALA 12 19.314 2.800 2.397
76 H ARG 13 HN ARG 13 18.882 1.631 0.133
77 HA ARG 13 HA ARG 13 21.618 1.713 -0.952
78 HB2 ARG 13 HB2 ARG 13 19.589 -0.442 -0.434
79 HB3 ARG 13 HB1 ARG 13 21.022 -0.774 -1.405
80 HG2 ARG 13 HG2 ARG 13 21.307 0.572 1.271
81 HG3 ARG 13 HG1 ARG 13 21.120 -1.180 1.184
82 HD2 ARG 13 HD2 ARG 13 23.051 -1.286 -0.380
83 HD3 ARG 13 HD1 ARG 13 23.261 0.460 -0.208
84 HE ARG 13 HE ARG 13 23.271 -0.679 2.395
85 HH11 ARG 13 HH21 ARG 13 25.095 -0.516 -0.525
86 HH12 ARG 13 HH22 ARG 13 26.609 -0.853 0.247
87 HH21 ARG 13 HH11 ARG 13 25.227 -1.186 3.409
88 HH22 ARG 13 HH12 ARG 13 26.683 -1.235 2.472
89 H CGU 14 HN GLA 14 18.382 0.959 -2.201
90 HA CGU 14 HA GLA 14 18.943 0.169 -4.776
91 HB2 CGU 14 HB2 GLA 14 16.752 0.926 -3.337
92 HB3 CGU 14 HB3 GLA 14 16.708 0.453 -5.029
93 HG CGU 14 HG GLA 14 17.181 3.264 -4.074
94 H LEU 15 HN LEU 15 18.926 3.426 -3.469
95 HA LEU 15 HA LEU 15 19.231 4.968 -5.782
96 HB2 LEU 15 HB2 LEU 15 20.382 6.614 -4.434
97 HB3 LEU 15 HB1 LEU 15 19.156 5.851 -3.426
98 HG LEU 15 HG LEU 15 21.074 4.220 -2.721
99 HD11 LEU 15 HD11 LEU 15 23.096 6.230 -2.871
100 HD12 LEU 15 HD12 LEU 15 22.469 5.997 -4.501
101 HD13 LEU 15 HD13 LEU 15 23.109 4.626 -3.598
102 HD21 LEU 15 HD21 LEU 15 20.028 5.865 -1.220
103 HD22 LEU 15 HD22 LEU 15 21.041 7.143 -1.889
104 HD23 LEU 15 HD23 LEU 15 21.773 5.837 -0.958
105 H ALA 16 HN ALA 16 21.621 2.915 -4.196
106 HA ALA 16 HA ALA 16 24.008 3.683 -5.365
107 HB1 ALA 16 HB1 ALA 16 24.192 1.809 -3.979
108 HB2 ALA 16 HB2 ALA 16 24.405 1.090 -5.575
109 HB3 ALA 16 HB3 ALA 16 22.847 0.978 -4.759
110 H ASN 17 HN ASN 17 21.226 2.287 -6.963
111 HA ASN 17 HA ASN 17 20.913 1.630 -9.215
112 HB2 ASN 17 HB2 ASN 17 21.064 4.206 -9.147
113 HB3 ASN 17 HB1 ASN 17 22.689 4.001 -9.802
114 HD21 ASN 17 HD21 ASN 17 19.396 4.247 -10.667
115 HD22 ASN 17 HD22 ASN 17 19.532 3.696 -12.276
116 HN1 NH2 18 H1 NH2 18 22.336 -0.338 -9.005
117 HN2 NH2 18 H2 NH2 18 23.834 -0.365 -9.804
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 0.705 -2.982 4.689
2 H2 GLY 1 HT2 GLY 1 1.855 -4.232 4.688
3 H3 GLY 1 HT3 GLY 1 2.251 -2.709 4.050
4 HA2 GLY 1 HA1 GLY 1 2.003 -1.713 6.254
5 HA3 GLY 1 HA2 GLY 1 1.670 -3.322 6.896
6 H GLU 2 HN GLU 2 3.394 -4.773 7.153
7 HA GLU 2 HA GLU 2 5.945 -3.843 7.733
8 HB2 GLU 2 HB2 GLU 2 5.191 -6.122 8.284
9 HB3 GLU 2 HB1 GLU 2 5.233 -6.556 6.574
10 HG2 GLU 2 HG2 GLU 2 7.618 -6.260 6.474
11 HG3 GLU 2 HG1 GLU 2 7.653 -5.539 8.083
12 H CGU 3 HN GLA 3 4.550 -4.410 4.599
13 HA CGU 3 HA GLA 3 7.006 -4.609 3.107
14 HB2 CGU 3 HB2 GLA 3 4.211 -3.739 2.321
15 HB3 CGU 3 HB3 GLA 3 4.963 -5.314 2.045
16 HG CGU 3 HG GLA 3 5.793 -2.670 0.805
17 H CGU 4 HN GLA 4 4.756 -1.837 3.478
18 HA CGU 4 HA GLA 4 6.400 0.102 2.253
19 HB2 CGU 4 HB2 GLA 4 4.607 0.574 4.653
20 HB3 CGU 4 HB3 GLA 4 4.017 0.437 2.996
21 HG CGU 4 HG GLA 4 6.053 2.471 3.962
22 H LEU 5 HN LEU 5 6.257 -0.849 5.696
23 HA LEU 5 HA LEU 5 8.151 0.930 6.736
24 HB2 LEU 5 HB2 LEU 5 6.757 -1.088 7.810
25 HB3 LEU 5 HB1 LEU 5 8.308 -1.915 7.622
26 HG LEU 5 HG LEU 5 7.871 0.723 9.047
27 HD11 LEU 5 HD11 LEU 5 8.888 -1.800 10.317
28 HD12 LEU 5 HD12 LEU 5 7.153 -1.592 10.083
29 HD13 LEU 5 HD13 LEU 5 8.056 -0.436 11.062
30 HD21 LEU 5 HD21 LEU 5 10.050 0.894 8.237
31 HD22 LEU 5 HD22 LEU 5 10.302 -0.852 8.259
32 HD23 LEU 5 HD23 LEU 5 10.329 0.063 9.767
33 H ALA 6 HN ALA 6 8.648 -1.948 4.775
34 HA ALA 6 HA ALA 6 11.541 -1.961 5.215
35 HB1 ALA 6 HB1 ALA 6 10.821 -3.414 2.855
36 HB2 ALA 6 HB2 ALA 6 9.599 -3.732 4.086
37 HB3 ALA 6 HB3 ALA 6 11.298 -4.054 4.427
38 H CGU 7 HN GLA 7 9.329 -0.951 2.569
39 HA CGU 7 HA GLA 7 11.176 -0.280 0.588
40 HB2 CGU 7 HB2 GLA 7 9.619 1.534 -0.079
41 HB3 CGU 7 HB3 GLA 7 8.791 1.384 1.470
42 HG CGU 7 HG GLA 7 8.207 -0.951 0.938
43 H ASN 8 HN ASN 8 10.590 1.225 3.651
44 HA ASN 8 HA ASN 8 11.694 3.733 3.548
45 HB2 ASN 8 HB2 ASN 8 10.960 2.095 5.542
46 HB3 ASN 8 HB1 ASN 8 12.705 1.908 5.684
47 HD21 ASN 8 HD21 ASN 8 11.839 3.104 7.861
48 HD22 ASN 8 HD22 ASN 8 12.006 4.801 7.823
49 H GLN 9 HN GLN 9 13.585 0.720 4.013
50 HA GLN 9 HA GLN 9 16.104 2.141 3.630
51 HB2 GLN 9 HB2 GLN 9 17.108 -0.143 3.702
52 HB3 GLN 9 HB1 GLN 9 16.054 0.182 5.079
53 HG2 GLN 9 HG2 GLN 9 14.259 -1.088 4.104
54 HG3 GLN 9 HG1 GLN 9 15.123 -1.242 2.574
55 HE21 GLN 9 HE21 GLN 9 14.500 -2.828 5.509
56 HE22 GLN 9 HE22 GLN 9 15.774 -3.962 5.451
57 H CGU 10 HN GLA 10 14.004 0.108 1.635
58 HA CGU 10 HA GLA 10 15.680 -0.400 -0.535
59 HB2 CGU 10 HB2 GLA 10 12.782 0.435 -0.726
60 HB3 CGU 10 HB3 GLA 10 13.323 -1.195 -0.334
61 HG CGU 10 HG GLA 10 14.112 0.270 -2.864
62 H PHE 11 HN PHE 11 14.474 2.582 0.559
63 HA PHE 11 HA PHE 11 14.861 4.002 -1.963
64 HB2 PHE 11 HB2 PHE 11 13.195 4.640 -0.247
65 HB3 PHE 11 HB1 PHE 11 14.513 5.009 0.859
66 HD1 PHE 11 HD1 PHE 11 16.308 6.716 0.014
67 HD2 PHE 11 HD2 PHE 11 12.398 6.291 -1.713
68 HE1 PHE 11 HE1 PHE 11 16.506 8.975 -0.992
69 HE2 PHE 11 HE2 PHE 11 12.594 8.549 -2.718
70 HZ PHE 11 HZ PHE 11 14.647 9.891 -2.357
71 H ALA 12 HN ALA 12 16.644 3.616 1.090
72 HA ALA 12 HA ALA 12 18.743 5.476 0.346
73 HB1 ALA 12 HB1 ALA 12 17.973 4.206 2.686
74 HB2 ALA 12 HB2 ALA 12 19.443 5.159 2.474
75 HB3 ALA 12 HB3 ALA 12 19.492 3.407 2.279
76 H ARG 13 HN ARG 13 18.269 1.987 0.030
77 HA ARG 13 HA ARG 13 21.014 1.582 -0.931
78 HB2 ARG 13 HB2 ARG 13 18.679 -0.349 -1.011
79 HB3 ARG 13 HB1 ARG 13 20.390 -0.748 -1.147
80 HG2 ARG 13 HG2 ARG 13 19.297 0.669 1.283
81 HG3 ARG 13 HG1 ARG 13 19.277 -1.090 1.159
82 HD2 ARG 13 HD2 ARG 13 21.717 -1.100 0.805
83 HD3 ARG 13 HD1 ARG 13 21.743 0.663 0.920
84 HE ARG 13 HE ARG 13 21.804 -1.086 3.150
85 HH11 ARG 13 HH21 ARG 13 21.862 2.078 2.723
86 HH12 ARG 13 HH22 ARG 13 20.723 2.525 3.949
87 HH21 ARG 13 HH11 ARG 13 19.558 -0.707 4.418
88 HH22 ARG 13 HH12 ARG 13 19.419 0.948 4.910
89 H CGU 14 HN GLA 14 17.879 2.265 -2.315
90 HA CGU 14 HA GLA 14 18.109 1.218 -4.881
91 HB2 CGU 14 HB2 GLA 14 17.023 3.768 -5.158
92 HB3 CGU 14 HB3 GLA 14 16.668 3.333 -3.500
93 HG CGU 14 HG GLA 14 15.704 1.205 -4.262
94 H LEU 15 HN LEU 15 19.510 4.189 -3.527
95 HA LEU 15 HA LEU 15 20.588 5.326 -5.857
96 HB2 LEU 15 HB2 LEU 15 22.262 6.364 -4.400
97 HB3 LEU 15 HB1 LEU 15 20.701 6.351 -3.584
98 HG LEU 15 HG LEU 15 21.508 4.062 -2.605
99 HD11 LEU 15 HD11 LEU 15 23.803 4.867 -4.119
100 HD12 LEU 15 HD12 LEU 15 23.606 3.432 -3.116
101 HD13 LEU 15 HD13 LEU 15 24.226 4.922 -2.408
102 HD21 LEU 15 HD21 LEU 15 21.155 6.255 -1.386
103 HD22 LEU 15 HD22 LEU 15 22.862 6.605 -1.661
104 HD23 LEU 15 HD23 LEU 15 22.394 5.216 -0.680
105 H ALA 16 HN ALA 16 21.656 2.548 -3.992
106 HA ALA 16 HA ALA 16 24.254 2.136 -4.879
107 HB1 ALA 16 HB1 ALA 16 22.755 0.640 -3.384
108 HB2 ALA 16 HB2 ALA 16 23.939 -0.163 -4.415
109 HB3 ALA 16 HB3 ALA 16 22.242 -0.116 -4.893
110 H ASN 17 HN ASN 17 21.243 1.391 -6.632
111 HA ASN 17 HA ASN 17 21.005 0.565 -8.856
112 HB2 ASN 17 HB2 ASN 17 21.025 3.028 -9.038
113 HB3 ASN 17 HB1 ASN 17 22.781 3.000 -9.205
114 HD21 ASN 17 HD21 ASN 17 20.008 3.203 -11.033
115 HD22 ASN 17 HD22 ASN 17 20.587 2.537 -12.493
116 HN1 NH2 18 H1 NH2 18 22.202 -1.448 -8.911
117 HN2 NH2 18 H2 NH2 18 23.786 -1.535 -9.515
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 0.803 -3.294 5.835
2 H2 GLY 1 HT2 GLY 1 0.383 -2.325 7.165
3 H3 GLY 1 HT3 GLY 1 1.680 -3.415 7.281
4 HA2 GLY 1 HA1 GLY 1 1.996 -1.585 5.103
5 HA3 GLY 1 HA2 GLY 1 1.871 -0.771 6.663
6 H GLU 2 HN GLU 2 3.011 -3.964 6.943
7 HA GLU 2 HA GLU 2 5.569 -3.110 7.938
8 HB2 GLU 2 HB2 GLU 2 4.499 -5.201 8.688
9 HB3 GLU 2 HB1 GLU 2 4.663 -5.870 7.063
10 HG2 GLU 2 HG2 GLU 2 6.484 -6.609 8.619
11 HG3 GLU 2 HG1 GLU 2 7.087 -5.747 7.202
12 H CGU 3 HN GLA 3 4.418 -3.931 4.761
13 HA CGU 3 HA GLA 3 6.993 -4.580 3.615
14 HB2 CGU 3 HB2 GLA 3 4.472 -3.532 2.286
15 HB3 CGU 3 HB3 GLA 3 4.886 -5.236 2.517
16 HG CGU 3 HG GLA 3 6.508 -3.231 0.913
17 H CGU 4 HN GLA 4 4.991 -1.611 3.500
18 HA CGU 4 HA GLA 4 6.984 -0.027 2.176
19 HB2 CGU 4 HB2 GLA 4 4.840 0.982 4.063
20 HB3 CGU 4 HB3 GLA 4 4.518 0.523 2.392
21 HG CGU 4 HG GLA 4 6.218 2.187 1.644
22 H LEU 5 HN LEU 5 6.362 -0.778 5.563
23 HA LEU 5 HA LEU 5 7.966 1.201 6.795
24 HB2 LEU 5 HB2 LEU 5 6.470 -0.839 7.731
25 HB3 LEU 5 HB1 LEU 5 8.077 -1.555 7.909
26 HG LEU 5 HG LEU 5 7.247 1.156 8.981
27 HD11 LEU 5 HD11 LEU 5 6.172 -0.640 10.233
28 HD12 LEU 5 HD12 LEU 5 7.490 0.025 11.198
29 HD13 LEU 5 HD13 LEU 5 7.702 -1.510 10.356
30 HD21 LEU 5 HD21 LEU 5 9.511 0.532 10.292
31 HD22 LEU 5 HD22 LEU 5 9.528 1.402 8.759
32 HD23 LEU 5 HD23 LEU 5 9.824 -0.336 8.790
33 H ALA 6 HN ALA 6 8.862 -1.859 5.259
34 HA ALA 6 HA ALA 6 11.662 -1.602 6.102
35 HB1 ALA 6 HB1 ALA 6 10.979 -3.447 3.881
36 HB2 ALA 6 HB2 ALA 6 10.128 -3.741 5.398
37 HB3 ALA 6 HB3 ALA 6 11.891 -3.750 5.361
38 H CGU 7 HN GLA 7 9.749 -0.985 3.150
39 HA CGU 7 HA GLA 7 11.759 -0.619 1.244
40 HB2 CGU 7 HB2 GLA 7 10.303 1.232 0.312
41 HB3 CGU 7 HB3 GLA 7 9.290 1.073 1.748
42 HG CGU 7 HG GLA 7 8.915 -1.321 1.189
43 H ASN 8 HN ASN 8 10.962 1.322 4.005
44 HA ASN 8 HA ASN 8 12.132 3.772 3.654
45 HB2 ASN 8 HB2 ASN 8 11.199 2.422 5.777
46 HB3 ASN 8 HB1 ASN 8 12.922 2.261 6.104
47 HD21 ASN 8 HD21 ASN 8 10.827 3.927 7.511
48 HD22 ASN 8 HD22 ASN 8 11.432 5.524 7.472
49 H GLN 9 HN GLN 9 13.901 0.771 4.514
50 HA GLN 9 HA GLN 9 16.473 2.169 4.207
51 HB2 GLN 9 HB2 GLN 9 17.468 -0.005 4.825
52 HB3 GLN 9 HB1 GLN 9 16.217 0.472 5.973
53 HG2 GLN 9 HG2 GLN 9 14.619 -1.024 4.974
54 HG3 GLN 9 HG1 GLN 9 15.698 -1.363 3.620
55 HE21 GLN 9 HE21 GLN 9 14.593 -2.764 6.396
56 HE22 GLN 9 HE22 GLN 9 15.948 -3.718 6.803
57 H CGU 10 HN GLA 10 14.517 -0.155 2.397
58 HA CGU 10 HA GLA 10 16.559 -0.787 0.473
59 HB2 CGU 10 HB2 GLA 10 13.581 -0.868 -0.003
60 HB3 CGU 10 HB3 GLA 10 14.435 -2.112 0.906
61 HG CGU 10 HG GLA 10 15.033 -1.294 -1.952
62 H PHE 11 HN PHE 11 14.672 1.940 0.995
63 HA PHE 11 HA PHE 11 14.664 2.862 -1.783
64 HB2 PHE 11 HB2 PHE 11 12.862 3.441 -0.246
65 HB3 PHE 11 HB1 PHE 11 14.010 4.236 0.824
66 HD1 PHE 11 HD1 PHE 11 13.109 4.250 -2.824
67 HD2 PHE 11 HD2 PHE 11 14.184 6.555 0.636
68 HE1 PHE 11 HE1 PHE 11 12.913 6.334 -4.153
69 HE2 PHE 11 HE2 PHE 11 13.987 8.640 -0.693
70 HZ PHE 11 HZ PHE 11 13.353 8.529 -3.088
71 H ALA 12 HN ALA 12 16.651 3.274 1.084
72 HA ALA 12 HA ALA 12 18.101 5.571 0.007
73 HB1 ALA 12 HB1 ALA 12 19.467 5.398 1.986
74 HB2 ALA 12 HB2 ALA 12 18.915 3.751 2.286
75 HB3 ALA 12 HB3 ALA 12 17.796 5.102 2.467
76 H ARG 13 HN ARG 13 18.649 2.067 0.208
77 HA ARG 13 HA ARG 13 21.326 2.348 -0.980
78 HB2 ARG 13 HB2 ARG 13 20.017 0.383 0.567
79 HB3 ARG 13 HB1 ARG 13 20.307 -0.360 -1.005
80 HG2 ARG 13 HG2 ARG 13 22.435 1.112 0.571
81 HG3 ARG 13 HG1 ARG 13 22.210 -0.636 0.626
82 HD2 ARG 13 HD2 ARG 13 22.573 -0.768 -1.810
83 HD3 ARG 13 HD1 ARG 13 22.790 0.984 -1.874
84 HE ARG 13 HE ARG 13 24.997 0.634 -1.150
85 HH11 ARG 13 HH11 ARG 13 24.351 -0.430 1.530
86 HH12 ARG 13 HH12 ARG 13 25.012 -2.031 1.479
87 HH21 ARG 13 HH21 ARG 13 25.260 -2.103 -1.978
88 HH22 ARG 13 HH22 ARG 13 25.526 -2.977 -0.508
89 H CGU 14 HN GLA 14 18.061 1.760 -2.065
90 HA CGU 14 HA GLA 14 18.443 0.390 -4.454
91 HB2 CGU 14 HB2 GLA 14 16.561 2.387 -4.955
92 HB3 CGU 14 HB3 GLA 14 16.489 2.146 -3.222
93 HG CGU 14 HG GLA 14 16.298 -0.300 -3.609
94 H LEU 15 HN LEU 15 18.910 3.843 -3.746
95 HA LEU 15 HA LEU 15 19.302 4.874 -6.308
96 HB2 LEU 15 HB2 LEU 15 20.755 6.547 -5.286
97 HB3 LEU 15 HB1 LEU 15 19.428 6.189 -4.182
98 HG LEU 15 HG LEU 15 21.063 4.405 -3.183
99 HD11 LEU 15 HD11 LEU 15 22.715 5.618 -5.186
100 HD12 LEU 15 HD12 LEU 15 23.147 4.356 -4.034
101 HD13 LEU 15 HD13 LEU 15 23.364 6.051 -3.606
102 HD21 LEU 15 HD21 LEU 15 21.549 7.377 -2.793
103 HD22 LEU 15 HD22 LEU 15 21.946 6.104 -1.638
104 HD23 LEU 15 HD23 LEU 15 20.260 6.449 -2.026
105 H ALA 16 HN ALA 16 21.458 2.831 -4.415
106 HA ALA 16 HA ALA 16 23.888 3.078 -5.710
107 HB1 ALA 16 HB1 ALA 16 23.797 1.479 -3.977
108 HB2 ALA 16 HB2 ALA 16 24.029 0.501 -5.426
109 HB3 ALA 16 HB3 ALA 16 22.426 0.641 -4.703
110 H ASN 17 HN ASN 17 20.908 2.099 -7.125
111 HA ASN 17 HA ASN 17 22.382 1.182 -9.564
112 HB2 ASN 17 HB2 ASN 17 19.562 0.500 -8.675
113 HB3 ASN 17 HB1 ASN 17 20.343 -0.080 -10.146
114 HD21 ASN 17 HD21 ASN 17 22.828 0.080 -7.976
115 HD22 ASN 17 HD22 ASN 17 22.756 -1.499 -7.334
116 HN1 NH2 18 H1 NH2 18 22.279 3.862 -9.518
117 HN2 NH2 18 H2 NH2 18 21.016 4.483 -10.466
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 1.051 -5.169 3.840
2 H2 GLY 1 HT2 GLY 1 2.119 -5.533 5.110
3 H3 GLY 1 HT3 GLY 1 2.723 -5.212 3.555
4 HA2 GLY 1 HA1 GLY 1 1.906 -2.930 3.696
5 HA3 GLY 1 HA2 GLY 1 1.341 -3.274 5.331
6 H GLU 2 HN GLU 2 3.540 -4.915 6.150
7 HA GLU 2 HA GLU 2 5.361 -2.959 7.101
8 HB2 GLU 2 HB2 GLU 2 5.786 -5.941 6.738
9 HB3 GLU 2 HB1 GLU 2 6.808 -4.884 7.712
10 HG2 GLU 2 HG2 GLU 2 3.828 -5.174 8.161
11 HG3 GLU 2 HG1 GLU 2 5.031 -6.138 9.017
12 H CGU 3 HN GLA 3 5.480 -5.019 4.223
13 HA CGU 3 HA GLA 3 8.123 -4.646 3.399
14 HB2 CGU 3 HB2 GLA 3 5.579 -4.687 1.754
15 HB3 CGU 3 HB3 GLA 3 6.665 -6.042 2.088
16 HG CGU 3 HG GLA 3 7.342 -3.556 0.478
17 H CGU 4 HN GLA 4 5.362 -2.508 2.601
18 HA CGU 4 HA GLA 4 6.885 -0.490 1.311
19 HB2 CGU 4 HB2 GLA 4 4.428 0.016 3.007
20 HB3 CGU 4 HB3 GLA 4 4.345 -0.701 1.399
21 HG CGU 4 HG GLA 4 5.481 1.284 0.459
22 H LEU 5 HN LEU 5 5.994 -0.858 4.748
23 HA LEU 5 HA LEU 5 7.206 1.568 5.646
24 HB2 LEU 5 HB2 LEU 5 5.702 -0.354 6.835
25 HB3 LEU 5 HB1 LEU 5 7.299 -0.777 7.463
26 HG LEU 5 HG LEU 5 6.096 2.005 7.570
27 HD11 LEU 5 HD11 LEU 5 5.053 0.072 8.997
28 HD12 LEU 5 HD12 LEU 5 5.460 1.594 9.789
29 HD13 LEU 5 HD13 LEU 5 6.536 0.205 9.942
30 HD21 LEU 5 HD21 LEU 5 8.724 0.809 8.223
31 HD22 LEU 5 HD22 LEU 5 8.055 1.862 9.471
32 HD23 LEU 5 HD23 LEU 5 8.313 2.481 7.839
33 H ALA 6 HN ALA 6 8.519 -1.591 4.876
34 HA ALA 6 HA ALA 6 11.094 -1.067 6.164
35 HB1 ALA 6 HB1 ALA 6 11.524 -3.257 5.719
36 HB2 ALA 6 HB2 ALA 6 11.002 -3.116 4.040
37 HB3 ALA 6 HB3 ALA 6 9.809 -3.347 5.317
38 H CGU 7 HN GLA 7 9.751 -0.833 2.864
39 HA CGU 7 HA GLA 7 12.068 -0.474 1.345
40 HB2 CGU 7 HB2 GLA 7 10.734 1.157 -0.030
41 HB3 CGU 7 HB3 GLA 7 9.486 1.122 1.216
42 HG CGU 7 HG GLA 7 9.208 -1.303 0.883
43 H ASN 8 HN ASN 8 10.594 1.631 3.686
44 HA ASN 8 HA ASN 8 11.744 4.103 3.366
45 HB2 ASN 8 HB2 ASN 8 10.397 2.892 5.357
46 HB3 ASN 8 HB1 ASN 8 12.011 2.845 6.059
47 HD21 ASN 8 HD21 ASN 8 11.659 4.468 7.656
48 HD22 ASN 8 HD22 ASN 8 11.370 6.104 7.261
49 H GLN 9 HN GLN 9 13.316 1.286 4.924
50 HA GLN 9 HA GLN 9 15.861 2.637 5.216
51 HB2 GLN 9 HB2 GLN 9 14.751 0.383 6.298
52 HB3 GLN 9 HB1 GLN 9 15.858 -0.315 5.116
53 HG2 GLN 9 HG2 GLN 9 17.733 0.879 6.057
54 HG3 GLN 9 HG1 GLN 9 16.668 1.806 7.116
55 HE21 GLN 9 HE21 GLN 9 15.135 -1.007 7.272
56 HE22 GLN 9 HE22 GLN 9 15.987 -1.790 8.526
57 H CGU 10 HN GLA 10 14.616 0.173 2.950
58 HA CGU 10 HA GLA 10 16.939 -0.239 1.444
59 HB2 CGU 10 HB2 GLA 10 14.166 0.007 0.257
60 HB3 CGU 10 HB3 GLA 10 14.713 -1.410 1.154
61 HG CGU 10 HG GLA 10 16.638 -1.590 -0.474
62 H PHE 11 HN PHE 11 14.924 2.546 1.605
63 HA PHE 11 HA PHE 11 15.290 3.914 -0.753
64 HB2 PHE 11 HB2 PHE 11 14.235 4.690 1.445
65 HB3 PHE 11 HB1 PHE 11 15.855 5.192 1.919
66 HD1 PHE 11 HD1 PHE 11 17.159 6.627 0.099
67 HD2 PHE 11 HD2 PHE 11 12.888 6.218 0.297
68 HE1 PHE 11 HE1 PHE 11 16.899 8.718 -1.207
69 HE2 PHE 11 HE2 PHE 11 12.627 8.310 -1.008
70 HZ PHE 11 HZ PHE 11 14.633 9.560 -1.761
71 H ALA 12 HN ALA 12 17.753 3.339 1.739
72 HA ALA 12 HA ALA 12 19.732 5.048 0.477
73 HB1 ALA 12 HB1 ALA 12 21.171 4.383 2.190
74 HB2 ALA 12 HB2 ALA 12 20.462 2.770 2.295
75 HB3 ALA 12 HB3 ALA 12 19.593 4.160 2.946
76 H ARG 13 HN ARG 13 18.753 1.711 0.092
77 HA ARG 13 HA ARG 13 21.188 1.015 -1.409
78 HB2 ARG 13 HB2 ARG 13 18.787 -0.421 -0.414
79 HB3 ARG 13 HB1 ARG 13 19.522 -1.058 -1.884
80 HG2 ARG 13 HG2 ARG 13 21.253 -0.370 0.477
81 HG3 ARG 13 HG1 ARG 13 20.386 -1.905 0.440
82 HD2 ARG 13 HD2 ARG 13 22.289 -0.909 -1.703
83 HD3 ARG 13 HD1 ARG 13 22.652 -2.153 -0.502
84 HE ARG 13 HE ARG 13 20.289 -2.911 -1.908
85 HH11 ARG 13 HH21 ARG 13 22.756 -4.617 -1.455
86 HH12 ARG 13 HH22 ARG 13 23.301 -4.870 -3.080
87 HH21 ARG 13 HH11 ARG 13 21.378 -2.308 -4.406
88 HH22 ARG 13 HH12 ARG 13 22.521 -3.565 -4.749
89 H CGU 14 HN GLA 14 17.809 1.858 -2.110
90 HA CGU 14 HA GLA 14 17.563 1.118 -4.752
91 HB2 CGU 14 HB2 GLA 14 16.540 3.718 -4.553
92 HB3 CGU 14 HB3 GLA 14 16.433 3.062 -2.933
93 HG CGU 14 HG GLA 14 15.315 1.058 -3.831
94 H LEU 15 HN LEU 15 19.335 3.906 -3.431
95 HA LEU 15 HA LEU 15 19.938 5.307 -5.770
96 HB2 LEU 15 HB2 LEU 15 21.990 6.046 -4.660
97 HB3 LEU 15 HB1 LEU 15 20.683 5.972 -3.481
98 HG LEU 15 HG LEU 15 21.537 3.532 -3.060
99 HD11 LEU 15 HD11 LEU 15 23.403 2.909 -4.155
100 HD12 LEU 15 HD12 LEU 15 24.275 4.273 -3.462
101 HD13 LEU 15 HD13 LEU 15 23.431 4.457 -4.996
102 HD21 LEU 15 HD21 LEU 15 23.170 5.932 -2.171
103 HD22 LEU 15 HD22 LEU 15 23.062 4.382 -1.336
104 HD23 LEU 15 HD23 LEU 15 21.643 5.424 -1.449
105 H ALA 16 HN ALA 16 21.269 2.262 -4.612
106 HA ALA 16 HA ALA 16 23.502 1.929 -6.249
107 HB1 ALA 16 HB1 ALA 16 22.516 0.300 -4.528
108 HB2 ALA 16 HB2 ALA 16 23.211 -0.422 -5.980
109 HB3 ALA 16 HB3 ALA 16 21.461 -0.261 -5.825
110 H ASN 17 HN ASN 17 20.085 1.373 -7.088
111 HA ASN 17 HA ASN 17 20.883 0.914 -9.914
112 HB2 ASN 17 HB2 ASN 17 18.144 0.719 -8.623
113 HB3 ASN 17 HB1 ASN 17 18.582 0.169 -10.240
114 HD21 ASN 17 HD21 ASN 17 21.244 -0.419 -8.305
115 HD22 ASN 17 HD22 ASN 17 20.914 -2.034 -7.871
116 HN1 NH2 18 H1 NH2 18 17.749 2.113 -9.851
117 HN2 NH2 18 H2 NH2 18 18.072 3.733 -10.246
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 0.133 -3.911 6.867
2 H2 GLY 1 HT2 GLY 1 1.524 -4.694 6.283
3 H3 GLY 1 HT3 GLY 1 0.122 -4.620 5.326
4 HA2 GLY 1 HA1 GLY 1 1.267 -2.937 4.358
5 HA3 GLY 1 HA2 GLY 1 0.464 -2.044 5.649
6 H GLU 2 HN GLU 2 2.745 -4.247 6.856
7 HA GLU 2 HA GLU 2 4.495 -2.044 7.675
8 HB2 GLU 2 HB2 GLU 2 5.673 -3.750 8.977
9 HB3 GLU 2 HB1 GLU 2 3.934 -3.919 9.217
10 HG2 GLU 2 HG2 GLU 2 4.668 -6.131 8.827
11 HG3 GLU 2 HG1 GLU 2 4.026 -5.614 7.266
12 H CGU 3 HN GLA 3 4.356 -4.262 5.067
13 HA CGU 3 HA GLA 3 7.077 -4.753 4.502
14 HB2 CGU 3 HB2 GLA 3 4.825 -4.177 2.548
15 HB3 CGU 3 HB3 GLA 3 5.261 -5.764 3.190
16 HG CGU 3 HG GLA 3 7.114 -3.992 1.562
17 H CGU 4 HN GLA 4 5.090 -2.103 3.136
18 HA CGU 4 HA GLA 4 7.081 -0.644 1.865
19 HB2 CGU 4 HB2 GLA 4 4.931 0.645 3.563
20 HB3 CGU 4 HB3 GLA 4 4.603 -0.091 1.994
21 HG CGU 4 HG GLA 4 6.327 1.423 0.986
22 H LEU 5 HN LEU 5 6.460 -0.884 5.323
23 HA LEU 5 HA LEU 5 8.027 1.282 6.244
24 HB2 LEU 5 HB2 LEU 5 6.574 -0.618 7.479
25 HB3 LEU 5 HB1 LEU 5 8.189 -1.288 7.741
26 HG LEU 5 HG LEU 5 7.302 1.522 8.452
27 HD11 LEU 5 HD11 LEU 5 8.243 -0.552 10.406
28 HD12 LEU 5 HD12 LEU 5 6.578 -0.614 9.831
29 HD13 LEU 5 HD13 LEU 5 7.168 0.820 10.670
30 HD21 LEU 5 HD21 LEU 5 9.594 1.699 7.948
31 HD22 LEU 5 HD22 LEU 5 9.944 0.074 8.538
32 HD23 LEU 5 HD23 LEU 5 9.603 1.372 9.682
33 H ALA 6 HN ALA 6 8.984 -1.993 5.257
34 HA ALA 6 HA ALA 6 11.786 -1.543 5.976
35 HB1 ALA 6 HB1 ALA 6 12.025 -3.774 5.601
36 HB2 ALA 6 HB2 ALA 6 11.188 -3.700 4.049
37 HB3 ALA 6 HB3 ALA 6 10.261 -3.795 5.548
38 H CGU 7 HN GLA 7 9.840 -1.508 2.972
39 HA CGU 7 HA GLA 7 11.846 -1.295 1.040
40 HB2 CGU 7 HB2 GLA 7 10.277 0.224 -0.206
41 HB3 CGU 7 HB3 GLA 7 9.275 0.311 1.243
42 HG CGU 7 HG GLA 7 8.944 -2.126 1.174
43 H ASN 8 HN ASN 8 10.825 0.979 3.455
44 HA ASN 8 HA ASN 8 11.874 3.418 2.755
45 HB2 ASN 8 HB2 ASN 8 10.937 2.381 5.046
46 HB3 ASN 8 HB1 ASN 8 12.655 2.326 5.425
47 HD21 ASN 8 HD21 ASN 8 12.823 4.061 6.874
48 HD22 ASN 8 HD22 ASN 8 12.433 5.675 6.470
49 H GLN 9 HN GLN 9 13.732 0.686 4.139
50 HA GLN 9 HA GLN 9 16.273 2.056 3.816
51 HB2 GLN 9 HB2 GLN 9 16.385 0.475 5.515
52 HB3 GLN 9 HB1 GLN 9 15.374 -0.680 4.648
53 HG2 GLN 9 HG2 GLN 9 17.793 -1.351 4.777
54 HG3 GLN 9 HG1 GLN 9 17.177 -1.214 3.131
55 HE21 GLN 9 HE21 GLN 9 18.703 -0.209 1.816
56 HE22 GLN 9 HE22 GLN 9 19.706 1.086 2.294
57 H CGU 10 HN GLA 10 14.473 -0.425 2.012
58 HA CGU 10 HA GLA 10 16.493 -1.004 0.096
59 HB2 CGU 10 HB2 GLA 10 13.504 -0.980 -0.361
60 HB3 CGU 10 HB3 GLA 10 14.380 -2.314 0.384
61 HG CGU 10 HG GLA 10 14.916 -1.221 -2.392
62 H PHE 11 HN PHE 11 14.565 1.729 0.583
63 HA PHE 11 HA PHE 11 14.788 2.743 -2.155
64 HB2 PHE 11 HB2 PHE 11 12.851 3.233 -0.729
65 HB3 PHE 11 HB1 PHE 11 13.908 4.042 0.424
66 HD1 PHE 11 HD1 PHE 11 13.241 4.076 -3.274
67 HD2 PHE 11 HD2 PHE 11 14.037 6.370 0.269
68 HE1 PHE 11 HE1 PHE 11 13.068 6.170 -4.591
69 HE2 PHE 11 HE2 PHE 11 13.864 8.465 -1.048
70 HZ PHE 11 HZ PHE 11 13.379 8.364 -3.479
71 H ALA 12 HN ALA 12 16.473 3.100 0.916
72 HA ALA 12 HA ALA 12 18.017 5.421 0.075
73 HB1 ALA 12 HB1 ALA 12 17.475 4.568 2.495
74 HB2 ALA 12 HB2 ALA 12 19.046 5.300 2.171
75 HB3 ALA 12 HB3 ALA 12 18.892 3.545 2.255
76 H ARG 13 HN ARG 13 18.480 1.918 0.036
77 HA ARG 13 HA ARG 13 21.266 2.204 -0.872
78 HB2 ARG 13 HB2 ARG 13 20.421 0.302 0.605
79 HB3 ARG 13 HB1 ARG 13 19.595 -0.322 -0.823
80 HG2 ARG 13 HG2 ARG 13 21.805 -0.315 -2.024
81 HG3 ARG 13 HG1 ARG 13 22.576 0.121 -0.497
82 HD2 ARG 13 HD2 ARG 13 20.994 -2.399 -1.082
83 HD3 ARG 13 HD1 ARG 13 22.726 -2.282 -0.745
84 HE ARG 13 HE ARG 13 20.632 -2.351 1.243
85 HH11 ARG 13 HH21 ARG 13 23.889 -1.655 0.504
86 HH12 ARG 13 HH22 ARG 13 24.290 -1.100 2.095
87 HH21 ARG 13 HH11 ARG 13 21.038 -1.334 3.281
88 HH22 ARG 13 HH12 ARG 13 22.674 -0.919 3.669
89 H CGU 14 HN GLA 14 18.090 1.869 -2.276
90 HA CGU 14 HA GLA 14 18.644 0.711 -4.747
91 HB2 CGU 14 HB2 GLA 14 16.857 2.796 -5.216
92 HB3 CGU 14 HB3 GLA 14 16.626 2.403 -3.525
93 HG CGU 14 HG GLA 14 16.335 0.042 -4.100
94 H LEU 15 HN LEU 15 19.102 4.078 -3.686
95 HA LEU 15 HA LEU 15 19.758 5.302 -6.106
96 HB2 LEU 15 HB2 LEU 15 21.298 6.756 -4.759
97 HB3 LEU 15 HB1 LEU 15 19.703 6.569 -4.033
98 HG LEU 15 HG LEU 15 20.858 4.508 -2.820
99 HD11 LEU 15 HD11 LEU 15 23.258 6.145 -2.580
100 HD12 LEU 15 HD12 LEU 15 23.036 5.558 -4.228
101 HD13 LEU 15 HD13 LEU 15 23.111 4.415 -2.887
102 HD21 LEU 15 HD21 LEU 15 21.183 7.437 -2.108
103 HD22 LEU 15 HD22 LEU 15 21.522 6.124 -0.981
104 HD23 LEU 15 HD23 LEU 15 19.888 6.352 -1.604
105 H ALA 16 HN ALA 16 21.678 3.068 -4.178
106 HA ALA 16 HA ALA 16 24.223 3.343 -5.252
107 HB1 ALA 16 HB1 ALA 16 22.841 0.672 -4.870
108 HB2 ALA 16 HB2 ALA 16 23.487 1.636 -3.542
109 HB3 ALA 16 HB3 ALA 16 24.573 0.999 -4.777
110 H ASN 17 HN ASN 17 21.361 2.648 -6.961
111 HA ASN 17 HA ASN 17 22.869 1.463 -9.242
112 HB2 ASN 17 HB2 ASN 17 19.876 1.784 -8.868
113 HB3 ASN 17 HB1 ASN 17 20.679 0.876 -10.150
114 HD21 ASN 17 HD21 ASN 17 19.193 0.480 -7.167
115 HD22 ASN 17 HD22 ASN 17 19.931 -0.983 -6.694
116 HN1 NH2 18 H1 NH2 18 19.934 3.185 -9.955
117 HN2 NH2 18 H2 NH2 18 20.656 4.529 -10.699
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 0.071 -1.469 6.500
2 H2 GLY 1 HT2 GLY 1 0.675 -3.003 6.917
3 H3 GLY 1 HT3 GLY 1 -0.519 -2.853 5.718
4 HA2 GLY 1 HA1 GLY 1 1.316 -3.100 4.406
5 HA3 GLY 1 HA2 GLY 1 1.250 -1.346 4.567
6 H GLU 2 HN GLU 2 2.628 -4.220 6.200
7 HA GLU 2 HA GLU 2 4.687 -2.576 7.491
8 HB2 GLU 2 HB2 GLU 2 5.483 -4.671 8.436
9 HB3 GLU 2 HB1 GLU 2 3.724 -4.633 8.560
10 HG2 GLU 2 HG2 GLU 2 4.155 -6.788 7.716
11 HG3 GLU 2 HG1 GLU 2 3.755 -5.862 6.269
12 H CGU 3 HN GLA 3 4.294 -4.239 4.508
13 HA CGU 3 HA GLA 3 6.986 -4.946 3.912
14 HB2 CGU 3 HB2 GLA 3 4.767 -4.006 2.066
15 HB3 CGU 3 HB3 GLA 3 5.127 -5.680 2.505
16 HG CGU 3 HG GLA 3 7.030 -3.817 1.047
17 H CGU 4 HN GLA 4 5.201 -1.948 3.114
18 HA CGU 4 HA GLA 4 7.412 -0.574 1.955
19 HB2 CGU 4 HB2 GLA 4 5.232 0.802 3.525
20 HB3 CGU 4 HB3 GLA 4 4.899 0.055 1.962
21 HG CGU 4 HG GLA 4 7.099 2.094 2.413
22 H LEU 5 HN LEU 5 6.412 -1.004 5.303
23 HA LEU 5 HA LEU 5 7.856 1.019 6.586
24 HB2 LEU 5 HB2 LEU 5 6.387 -1.043 7.473
25 HB3 LEU 5 HB1 LEU 5 7.995 -1.709 7.777
26 HG LEU 5 HG LEU 5 7.076 1.025 8.708
27 HD11 LEU 5 HD11 LEU 5 6.015 -1.163 9.725
28 HD12 LEU 5 HD12 LEU 5 6.584 0.115 10.800
29 HD13 LEU 5 HD13 LEU 5 7.581 -1.313 10.525
30 HD21 LEU 5 HD21 LEU 5 9.417 1.104 8.593
31 HD22 LEU 5 HD22 LEU 5 9.591 -0.605 8.992
32 HD23 LEU 5 HD23 LEU 5 9.147 0.553 10.246
33 H ALA 6 HN ALA 6 9.053 -2.108 5.371
34 HA ALA 6 HA ALA 6 11.761 -1.563 6.353
35 HB1 ALA 6 HB1 ALA 6 10.454 -3.760 4.769
36 HB2 ALA 6 HB2 ALA 6 11.352 -3.859 6.284
37 HB3 ALA 6 HB3 ALA 6 12.212 -3.622 4.762
38 H CGU 7 HN GLA 7 10.163 -1.657 3.127
39 HA CGU 7 HA GLA 7 12.344 -1.087 1.481
40 HB2 CGU 7 HB2 GLA 7 10.734 0.229 0.066
41 HB3 CGU 7 HB3 GLA 7 9.555 0.116 1.374
42 HG CGU 7 HG GLA 7 9.711 -2.376 1.238
43 H ASN 8 HN ASN 8 10.747 0.898 3.814
44 HA ASN 8 HA ASN 8 11.430 3.504 3.303
45 HB2 ASN 8 HB2 ASN 8 10.454 2.240 5.444
46 HB3 ASN 8 HB1 ASN 8 12.118 2.401 5.998
47 HD21 ASN 8 HD21 ASN 8 12.098 4.109 7.431
48 HD22 ASN 8 HD22 ASN 8 11.438 5.651 7.104
49 H GLN 9 HN GLN 9 13.586 1.095 4.848
50 HA GLN 9 HA GLN 9 15.868 2.903 4.774
51 HB2 GLN 9 HB2 GLN 9 17.098 1.135 5.765
52 HB3 GLN 9 HB1 GLN 9 15.468 0.955 6.416
53 HG2 GLN 9 HG2 GLN 9 14.991 -0.699 4.586
54 HG3 GLN 9 HG1 GLN 9 16.689 -0.602 4.119
55 HE21 GLN 9 HE21 GLN 9 16.559 -0.156 7.445
56 HE22 GLN 9 HE22 GLN 9 16.834 -1.766 7.938
57 H CGU 10 HN GLA 10 14.747 0.155 2.819
58 HA CGU 10 HA GLA 10 17.004 -0.205 1.198
59 HB2 CGU 10 HB2 GLA 10 14.140 -0.258 0.220
60 HB3 CGU 10 HB3 GLA 10 14.903 -1.581 1.104
61 HG CGU 10 HG GLA 10 16.672 -1.668 -0.680
62 H PHE 11 HN PHE 11 14.654 2.349 1.161
63 HA PHE 11 HA PHE 11 14.953 3.545 -1.307
64 HB2 PHE 11 HB2 PHE 11 13.687 4.329 0.781
65 HB3 PHE 11 HB1 PHE 11 15.193 5.110 1.254
66 HD1 PHE 11 HD1 PHE 11 16.352 6.549 -0.668
67 HD2 PHE 11 HD2 PHE 11 12.179 5.539 -0.531
68 HE1 PHE 11 HE1 PHE 11 15.841 8.449 -2.179
69 HE2 PHE 11 HE2 PHE 11 11.669 7.438 -2.043
70 HZ PHE 11 HZ PHE 11 13.500 8.893 -2.866
71 H ALA 12 HN ALA 12 17.267 3.652 1.394
72 HA ALA 12 HA ALA 12 19.099 5.465 0.106
73 HB1 ALA 12 HB1 ALA 12 19.146 3.680 2.488
74 HB2 ALA 12 HB2 ALA 12 19.570 5.387 2.352
75 HB3 ALA 12 HB3 ALA 12 20.707 4.150 1.816
76 H ARG 13 HN ARG 13 18.589 2.009 -0.109
77 HA ARG 13 HA ARG 13 21.187 1.566 -1.418
78 HB2 ARG 13 HB2 ARG 13 20.104 -0.168 0.042
79 HB3 ARG 13 HB1 ARG 13 18.837 -0.333 -1.174
80 HG2 ARG 13 HG2 ARG 13 20.742 -0.754 -2.853
81 HG3 ARG 13 HG1 ARG 13 21.773 -0.980 -1.440
82 HD2 ARG 13 HD2 ARG 13 19.239 -2.529 -2.055
83 HD3 ARG 13 HD1 ARG 13 20.890 -3.142 -2.197
84 HE ARG 13 HE ARG 13 20.592 -2.218 0.454
85 HH11 ARG 13 HH21 ARG 13 19.594 -4.701 -1.706
86 HH12 ARG 13 HH22 ARG 13 19.065 -5.770 -0.450
87 HH21 ARG 13 HH11 ARG 13 19.766 -3.535 2.110
88 HH22 ARG 13 HH12 ARG 13 19.159 -5.108 1.712
89 H CGU 14 HN GLA 14 17.819 2.060 -2.361
90 HA CGU 14 HA GLA 14 17.783 1.104 -4.953
91 HB2 CGU 14 HB2 GLA 14 16.551 3.603 -5.035
92 HB3 CGU 14 HB3 GLA 14 16.420 3.112 -3.360
93 HG CGU 14 HG GLA 14 15.465 0.965 -4.054
94 H LEU 15 HN LEU 15 19.159 4.162 -3.759
95 HA LEU 15 HA LEU 15 19.879 5.381 -6.168
96 HB2 LEU 15 HB2 LEU 15 21.686 6.459 -4.943
97 HB3 LEU 15 HB1 LEU 15 20.293 6.313 -3.873
98 HG LEU 15 HG LEU 15 21.385 4.036 -3.172
99 HD11 LEU 15 HD11 LEU 15 23.403 3.571 -4.057
100 HD12 LEU 15 HD12 LEU 15 24.043 5.074 -3.396
101 HD13 LEU 15 HD13 LEU 15 23.335 5.054 -5.009
102 HD21 LEU 15 HD21 LEU 15 21.112 6.059 -1.739
103 HD22 LEU 15 HD22 LEU 15 22.646 6.675 -2.357
104 HD23 LEU 15 HD23 LEU 15 22.612 5.194 -1.398
105 H ALA 16 HN ALA 16 21.343 2.620 -4.550
106 HA ALA 16 HA ALA 16 23.773 2.353 -5.882
107 HB1 ALA 16 HB1 ALA 16 21.977 -0.042 -5.596
108 HB2 ALA 16 HB2 ALA 16 22.571 0.782 -4.155
109 HB3 ALA 16 HB3 ALA 16 23.712 0.085 -5.305
110 H ASN 17 HN ASN 17 20.533 1.503 -7.070
111 HA ASN 17 HA ASN 17 21.292 0.285 -9.509
112 HB2 ASN 17 HB2 ASN 17 18.975 0.263 -8.734
113 HB3 ASN 17 HB1 ASN 17 18.879 2.018 -8.892
114 HD21 ASN 17 HD21 ASN 17 17.988 -0.758 -10.478
115 HD22 ASN 17 HD22 ASN 17 17.990 -0.181 -12.084
116 HN1 NH2 18 H1 NH2 18 19.885 3.588 -9.528
117 HN2 NH2 18 H2 NH2 18 21.006 4.229 -10.631
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 2.935 -0.666 4.863
2 H2 GLY 1 HT2 GLY 1 1.245 -0.488 4.863
3 H3 GLY 1 HT3 GLY 1 1.971 -1.734 3.965
4 HA2 GLY 1 HA1 GLY 1 1.367 -1.593 6.799
5 HA3 GLY 1 HA2 GLY 1 1.436 -2.994 5.731
6 H GLU 2 HN GLU 2 2.954 -4.344 6.589
7 HA GLU 2 HA GLU 2 5.304 -3.299 7.980
8 HB2 GLU 2 HB2 GLU 2 4.177 -5.405 8.684
9 HB3 GLU 2 HB1 GLU 2 4.643 -6.142 7.152
10 HG2 GLU 2 HG2 GLU 2 6.291 -6.816 8.759
11 HG3 GLU 2 HG1 GLU 2 7.051 -5.588 7.750
12 H CGU 3 HN GLA 3 4.503 -4.208 4.749
13 HA CGU 3 HA GLA 3 7.267 -4.749 3.941
14 HB2 CGU 3 HB2 GLA 3 4.709 -4.336 2.366
15 HB3 CGU 3 HB3 GLA 3 5.516 -5.870 2.708
16 HG CGU 3 HG GLA 3 6.626 -3.599 1.024
17 H CGU 4 HN GLA 4 4.908 -2.116 3.390
18 HA CGU 4 HA GLA 4 6.552 -0.412 1.870
19 HB2 CGU 4 HB2 GLA 4 4.643 0.524 4.027
20 HB3 CGU 4 HB3 GLA 4 4.108 -0.064 2.453
21 HG CGU 4 HG GLA 4 5.519 1.681 1.362
22 H LEU 5 HN LEU 5 6.177 -0.446 5.436
23 HA LEU 5 HA LEU 5 8.042 1.547 6.067
24 HB2 LEU 5 HB2 LEU 5 6.517 -0.089 7.556
25 HB3 LEU 5 HB1 LEU 5 8.069 -0.915 7.744
26 HG LEU 5 HG LEU 5 7.624 2.042 8.246
27 HD11 LEU 5 HD11 LEU 5 7.901 -0.277 10.184
28 HD12 LEU 5 HD12 LEU 5 6.447 0.683 9.918
29 HD13 LEU 5 HD13 LEU 5 7.873 1.428 10.640
30 HD21 LEU 5 HD21 LEU 5 9.893 1.474 9.525
31 HD22 LEU 5 HD22 LEU 5 9.894 1.877 7.809
32 HD23 LEU 5 HD23 LEU 5 9.976 0.190 8.318
33 H ALA 6 HN ALA 6 8.592 -1.687 4.875
34 HA ALA 6 HA ALA 6 11.423 -1.689 5.625
35 HB1 ALA 6 HB1 ALA 6 11.134 -3.648 3.694
36 HB2 ALA 6 HB2 ALA 6 9.518 -3.569 4.396
37 HB3 ALA 6 HB3 ALA 6 10.913 -3.895 5.426
38 H CGU 7 HN GLA 7 9.532 -1.183 2.620
39 HA CGU 7 HA GLA 7 11.589 -1.012 0.737
40 HB2 CGU 7 HB2 GLA 7 10.199 0.812 -0.351
41 HB3 CGU 7 HB3 GLA 7 9.152 0.768 1.068
42 HG CGU 7 HG GLA 7 8.755 -1.659 0.655
43 H ASN 8 HN ASN 8 10.754 1.141 3.324
44 HA ASN 8 HA ASN 8 12.053 3.514 2.852
45 HB2 ASN 8 HB2 ASN 8 10.965 2.377 5.026
46 HB3 ASN 8 HB1 ASN 8 12.659 2.119 5.425
47 HD21 ASN 8 HD21 ASN 8 12.913 3.692 7.049
48 HD22 ASN 8 HD22 ASN 8 12.712 5.366 6.779
49 H GLN 9 HN GLN 9 13.603 0.520 4.059
50 HA GLN 9 HA GLN 9 16.270 1.643 3.929
51 HB2 GLN 9 HB2 GLN 9 15.144 -0.529 5.166
52 HB3 GLN 9 HB1 GLN 9 16.010 -1.292 3.833
53 HG2 GLN 9 HG2 GLN 9 18.082 -0.184 4.494
54 HG3 GLN 9 HG1 GLN 9 17.233 0.698 5.764
55 HE21 GLN 9 HE21 GLN 9 19.137 -2.015 5.255
56 HE22 GLN 9 HE22 GLN 9 18.657 -2.935 6.609
57 H CGU 10 HN GLA 10 14.443 -0.647 1.880
58 HA CGU 10 HA GLA 10 16.520 -1.105 -0.009
59 HB2 CGU 10 HB2 GLA 10 13.529 -1.111 -0.447
60 HB3 CGU 10 HB3 GLA 10 14.487 -2.488 0.086
61 HG CGU 10 HG GLA 10 14.691 -1.049 -2.571
62 H PHE 11 HN PHE 11 14.507 1.574 0.519
63 HA PHE 11 HA PHE 11 14.810 2.690 -2.163
64 HB2 PHE 11 HB2 PHE 11 12.837 3.114 -0.784
65 HB3 PHE 11 HB1 PHE 11 13.849 3.882 0.435
66 HD1 PHE 11 HD1 PHE 11 13.386 4.071 -3.291
67 HD2 PHE 11 HD2 PHE 11 13.872 6.213 0.400
68 HE1 PHE 11 HE1 PHE 11 13.230 6.220 -4.518
69 HE2 PHE 11 HE2 PHE 11 13.717 8.362 -0.827
70 HZ PHE 11 HZ PHE 11 13.393 8.366 -3.286
71 H ALA 12 HN ALA 12 16.066 3.532 1.080
72 HA ALA 12 HA ALA 12 17.698 5.694 0.280
73 HB1 ALA 12 HB1 ALA 12 18.220 3.655 2.467
74 HB2 ALA 12 HB2 ALA 12 17.277 5.135 2.642
75 HB3 ALA 12 HB3 ALA 12 19.009 5.226 2.328
76 H ARG 13 HN ARG 13 18.336 2.208 0.193
77 HA ARG 13 HA ARG 13 21.088 2.652 -0.744
78 HB2 ARG 13 HB2 ARG 13 19.460 0.122 -0.376
79 HB3 ARG 13 HB1 ARG 13 21.151 0.152 -0.875
80 HG2 ARG 13 HG2 ARG 13 20.230 1.533 1.648
81 HG3 ARG 13 HG1 ARG 13 20.673 -0.175 1.641
82 HD2 ARG 13 HD2 ARG 13 22.876 0.498 0.589
83 HD3 ARG 13 HD1 ARG 13 22.431 2.179 0.897
84 HE ARG 13 HE ARG 13 22.851 1.823 3.199
85 HH11 ARG 13 HH21 ARG 13 24.334 -0.588 1.578
86 HH12 ARG 13 HH22 ARG 13 24.203 -1.798 2.810
87 HH21 ARG 13 HH11 ARG 13 21.977 0.029 4.741
88 HH22 ARG 13 HH12 ARG 13 22.869 -1.450 4.599
89 H CGU 14 HN GLA 14 17.944 2.115 -2.177
90 HA CGU 14 HA GLA 14 18.472 0.879 -4.565
91 HB2 CGU 14 HB2 GLA 14 16.885 3.112 -5.177
92 HB3 CGU 14 HB3 GLA 14 16.553 2.750 -3.499
93 HG CGU 14 HG GLA 14 16.107 0.416 -4.071
94 H LEU 15 HN LEU 15 19.229 4.254 -3.707
95 HA LEU 15 HA LEU 15 20.012 5.245 -6.200
96 HB2 LEU 15 HB2 LEU 15 22.025 6.085 -4.377
97 HB3 LEU 15 HB1 LEU 15 20.587 6.974 -4.876
98 HG LEU 15 HG LEU 15 20.546 4.893 -2.680
99 HD11 LEU 15 HD11 LEU 15 21.152 7.846 -2.605
100 HD12 LEU 15 HD12 LEU 15 21.993 6.528 -1.789
101 HD13 LEU 15 HD13 LEU 15 20.405 7.045 -1.222
102 HD21 LEU 15 HD21 LEU 15 18.678 7.228 -3.004
103 HD22 LEU 15 HD22 LEU 15 18.382 5.668 -2.238
104 HD23 LEU 15 HD23 LEU 15 18.442 5.789 -3.995
105 H ALA 16 HN ALA 16 21.738 2.998 -4.096
106 HA ALA 16 HA ALA 16 24.291 2.957 -5.163
107 HB1 ALA 16 HB1 ALA 16 22.655 0.455 -4.661
108 HB2 ALA 16 HB2 ALA 16 23.383 1.422 -3.377
109 HB3 ALA 16 HB3 ALA 16 24.409 0.617 -4.565
110 H ASN 17 HN ASN 17 21.367 2.360 -6.848
111 HA ASN 17 HA ASN 17 22.955 1.426 -9.203
112 HB2 ASN 17 HB2 ASN 17 20.146 0.539 -8.476
113 HB3 ASN 17 HB1 ASN 17 21.086 -0.003 -9.867
114 HD21 ASN 17 HD21 ASN 17 20.143 -1.108 -6.938
115 HD22 ASN 17 HD22 ASN 17 21.498 -2.049 -6.511
116 HN1 NH2 18 H1 NH2 18 19.899 1.526 -10.313
117 HN2 NH2 18 H2 NH2 18 19.784 3.152 -10.787
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 1.063 -4.492 5.887
2 H2 GLY 1 HT2 GLY 1 1.497 -4.231 4.265
3 H3 GLY 1 HT3 GLY 1 0.013 -3.653 4.854
4 HA2 GLY 1 HA1 GLY 1 1.659 -1.870 4.625
5 HA3 GLY 1 HA2 GLY 1 1.119 -2.092 6.289
6 H GLU 2 HN GLU 2 2.650 -4.642 6.527
7 HA GLU 2 HA GLU 2 5.075 -3.577 7.592
8 HB2 GLU 2 HB2 GLU 2 4.382 -6.420 6.789
9 HB3 GLU 2 HB1 GLU 2 5.781 -5.962 7.761
10 HG2 GLU 2 HG2 GLU 2 4.328 -5.041 9.491
11 HG3 GLU 2 HG1 GLU 2 2.902 -5.369 8.506
12 H CGU 3 HN GLA 3 4.224 -3.742 4.429
13 HA CGU 3 HA GLA 3 6.823 -4.652 3.372
14 HB2 CGU 3 HB2 GLA 3 4.389 -3.470 1.995
15 HB3 CGU 3 HB3 GLA 3 4.805 -5.185 2.092
16 HG CGU 3 HG GLA 3 6.467 -3.030 0.739
17 H CGU 4 HN GLA 4 4.909 -1.632 3.092
18 HA CGU 4 HA GLA 4 6.936 -0.005 2.024
19 HB2 CGU 4 HB2 GLA 4 5.012 1.024 4.109
20 HB3 CGU 4 HB3 GLA 4 4.445 0.544 2.508
21 HG CGU 4 HG GLA 4 5.986 2.139 1.460
22 H LEU 5 HN LEU 5 6.385 -1.011 5.360
23 HA LEU 5 HA LEU 5 8.053 0.762 6.744
24 HB2 LEU 5 HB2 LEU 5 6.640 -1.392 7.486
25 HB3 LEU 5 HB1 LEU 5 8.247 -2.128 7.448
26 HG LEU 5 HG LEU 5 7.549 0.416 8.940
27 HD11 LEU 5 HD11 LEU 5 6.546 -1.147 10.301
28 HD12 LEU 5 HD12 LEU 5 8.205 -1.329 10.871
29 HD13 LEU 5 HD13 LEU 5 7.546 -2.468 9.697
30 HD21 LEU 5 HD21 LEU 5 9.831 0.588 8.553
31 HD22 LEU 5 HD22 LEU 5 10.053 -1.161 8.469
32 HD23 LEU 5 HD23 LEU 5 9.841 -0.373 10.032
33 H ALA 6 HN ALA 6 8.947 -2.092 4.830
34 HA ALA 6 HA ALA 6 11.779 -1.804 5.545
35 HB1 ALA 6 HB1 ALA 6 10.366 -3.961 4.820
36 HB2 ALA 6 HB2 ALA 6 12.092 -3.829 4.481
37 HB3 ALA 6 HB3 ALA 6 10.916 -3.472 3.217
38 H CGU 7 HN GLA 7 9.720 -1.114 2.695
39 HA CGU 7 HA GLA 7 11.651 -0.444 0.793
40 HB2 CGU 7 HB2 GLA 7 10.028 1.342 0.020
41 HB3 CGU 7 HB3 GLA 7 9.061 0.994 1.454
42 HG CGU 7 HG GLA 7 8.827 -1.353 0.731
43 H ASN 8 HN ASN 8 10.756 1.204 3.701
44 HA ASN 8 HA ASN 8 11.724 3.764 3.519
45 HB2 ASN 8 HB2 ASN 8 10.910 2.240 5.553
46 HB3 ASN 8 HB1 ASN 8 12.643 2.099 5.828
47 HD21 ASN 8 HD21 ASN 8 12.879 3.450 7.635
48 HD22 ASN 8 HD22 ASN 8 12.495 5.115 7.631
49 H GLN 9 HN GLN 9 13.738 0.909 4.323
50 HA GLN 9 HA GLN 9 16.179 2.502 3.972
51 HB2 GLN 9 HB2 GLN 9 17.337 0.346 4.503
52 HB3 GLN 9 HB1 GLN 9 16.170 0.835 5.731
53 HG2 GLN 9 HG2 GLN 9 14.485 -0.670 4.679
54 HG3 GLN 9 HG1 GLN 9 15.715 -1.208 3.537
55 HE21 GLN 9 HE21 GLN 9 16.606 -3.160 4.173
56 HE22 GLN 9 HE22 GLN 9 16.887 -3.632 5.788
57 H CGU 10 HN GLA 10 14.718 -0.328 2.323
58 HA CGU 10 HA GLA 10 16.625 -0.743 0.346
59 HB2 CGU 10 HB2 GLA 10 13.638 -0.716 -0.121
60 HB3 CGU 10 HB3 GLA 10 14.523 -2.060 0.593
61 HG CGU 10 HG GLA 10 14.956 -0.909 -2.177
62 H PHE 11 HN PHE 11 14.795 2.006 0.898
63 HA PHE 11 HA PHE 11 14.935 3.053 -1.830
64 HB2 PHE 11 HB2 PHE 11 13.075 3.611 -0.375
65 HB3 PHE 11 HB1 PHE 11 14.177 4.292 0.817
66 HD1 PHE 11 HD1 PHE 11 15.697 6.241 0.071
67 HD2 PHE 11 HD2 PHE 11 12.235 4.964 -2.125
68 HE1 PHE 11 HE1 PHE 11 15.637 8.423 -1.102
69 HE2 PHE 11 HE2 PHE 11 12.174 7.147 -3.300
70 HZ PHE 11 HZ PHE 11 13.876 8.877 -2.788
71 H ALA 12 HN ALA 12 16.771 3.343 1.165
72 HA ALA 12 HA ALA 12 18.314 5.641 0.313
73 HB1 ALA 12 HB1 ALA 12 18.239 5.279 2.654
74 HB2 ALA 12 HB2 ALA 12 19.878 4.824 2.189
75 HB3 ALA 12 HB3 ALA 12 18.667 3.577 2.487
76 H ARG 13 HN ARG 13 18.893 2.121 0.267
77 HA ARG 13 HA ARG 13 21.507 2.510 -1.018
78 HB2 ARG 13 HB2 ARG 13 21.165 0.646 0.564
79 HB3 ARG 13 HB1 ARG 13 19.933 -0.030 -0.502
80 HG2 ARG 13 HG2 ARG 13 21.626 -0.210 -2.312
81 HG3 ARG 13 HG1 ARG 13 22.853 0.398 -1.201
82 HD2 ARG 13 HD2 ARG 13 22.457 -1.514 0.300
83 HD3 ARG 13 HD1 ARG 13 21.213 -2.122 -0.798
84 HE ARG 13 HE ARG 13 23.701 -1.759 -2.206
85 HH11 ARG 13 HH21 ARG 13 22.165 -3.691 0.198
86 HH12 ARG 13 HH22 ARG 13 22.997 -5.143 -0.245
87 HH21 ARG 13 HH11 ARG 13 24.735 -3.664 -2.856
88 HH22 ARG 13 HH12 ARG 13 24.448 -5.129 -1.980
89 H CGU 14 HN GLA 14 18.206 1.962 -2.022
90 HA CGU 14 HA GLA 14 18.428 0.697 -4.454
91 HB2 CGU 14 HB2 GLA 14 16.720 2.878 -4.858
92 HB3 CGU 14 HB3 GLA 14 16.644 2.555 -3.140
93 HG CGU 14 HG GLA 14 16.255 0.148 -3.665
94 H LEU 15 HN LEU 15 19.107 4.138 -3.753
95 HA LEU 15 HA LEU 15 19.600 5.072 -6.342
96 HB2 LEU 15 HB2 LEU 15 21.231 6.644 -5.307
97 HB3 LEU 15 HB1 LEU 15 19.736 6.539 -4.381
98 HG LEU 15 HG LEU 15 20.973 4.663 -3.050
99 HD11 LEU 15 HD11 LEU 15 23.111 4.266 -3.624
100 HD12 LEU 15 HD12 LEU 15 23.516 5.938 -3.241
101 HD13 LEU 15 HD13 LEU 15 23.025 5.503 -4.876
102 HD21 LEU 15 HD21 LEU 15 21.394 7.639 -2.888
103 HD22 LEU 15 HD22 LEU 15 22.180 6.575 -1.722
104 HD23 LEU 15 HD23 LEU 15 20.422 6.597 -1.849
105 H ALA 16 HN ALA 16 21.559 2.958 -4.341
106 HA ALA 16 HA ALA 16 24.033 3.035 -5.626
107 HB1 ALA 16 HB1 ALA 16 24.342 0.736 -4.901
108 HB2 ALA 16 HB2 ALA 16 22.599 0.507 -4.761
109 HB3 ALA 16 HB3 ALA 16 23.436 1.596 -3.655
110 H ASN 17 HN ASN 17 21.024 1.544 -6.725
111 HA ASN 17 HA ASN 17 22.228 0.187 -8.990
112 HB2 ASN 17 HB2 ASN 17 20.063 -0.532 -8.045
113 HB3 ASN 17 HB1 ASN 17 19.347 1.011 -8.512
114 HD21 ASN 17 HD21 ASN 17 18.175 0.821 -10.412
115 HD22 ASN 17 HD22 ASN 17 18.580 -0.198 -11.721
116 HN1 NH2 18 H1 NH2 18 23.503 2.196 -9.733
117 HN2 NH2 18 H2 NH2 18 22.716 3.280 -10.775
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 3.268 -0.608 3.332
2 H2 GLY 1 HT2 GLY 1 2.847 0.783 4.212
3 H3 GLY 1 HT3 GLY 1 1.712 0.051 3.181
4 HA2 GLY 1 HA1 GLY 1 1.435 -0.383 5.642
5 HA3 GLY 1 HA2 GLY 1 1.429 -1.787 4.575
6 H GLU 2 HN GLU 2 2.512 -3.395 5.617
7 HA GLU 2 HA GLU 2 4.709 -2.805 7.458
8 HB2 GLU 2 HB2 GLU 2 3.716 -5.472 6.406
9 HB3 GLU 2 HB1 GLU 2 4.790 -5.234 7.784
10 HG2 GLU 2 HG2 GLU 2 2.509 -5.572 8.589
11 HG3 GLU 2 HG1 GLU 2 3.001 -3.908 8.906
12 H CGU 3 HN GLA 3 4.363 -4.331 4.256
13 HA CGU 3 HA GLA 3 7.100 -5.037 3.910
14 HB2 CGU 3 HB2 GLA 3 4.997 -4.263 1.865
15 HB3 CGU 3 HB3 GLA 3 5.402 -5.899 2.400
16 HG CGU 3 HG GLA 3 7.214 -3.988 0.892
17 H CGU 4 HN GLA 4 5.353 -2.102 2.833
18 HA CGU 4 HA GLA 4 7.657 -0.790 1.769
19 HB2 CGU 4 HB2 GLA 4 5.208 0.508 3.000
20 HB3 CGU 4 HB3 GLA 4 5.275 -0.114 1.350
21 HG CGU 4 HG GLA 4 7.244 1.411 0.945
22 H LEU 5 HN LEU 5 6.412 -1.097 5.030
23 HA LEU 5 HA LEU 5 7.668 1.022 6.350
24 HB2 LEU 5 HB2 LEU 5 6.237 -1.087 7.190
25 HB3 LEU 5 HB1 LEU 5 7.850 -1.668 7.623
26 HG LEU 5 HG LEU 5 6.790 1.062 8.398
27 HD11 LEU 5 HD11 LEU 5 7.142 -1.050 10.448
28 HD12 LEU 5 HD12 LEU 5 5.775 -1.273 9.356
29 HD13 LEU 5 HD13 LEU 5 5.904 0.198 10.320
30 HD21 LEU 5 HD21 LEU 5 8.702 0.530 10.177
31 HD22 LEU 5 HD22 LEU 5 9.095 1.214 8.599
32 HD23 LEU 5 HD23 LEU 5 9.288 -0.516 8.885
33 H ALA 6 HN ALA 6 9.085 -2.059 5.280
34 HA ALA 6 HA ALA 6 11.690 -1.392 6.448
35 HB1 ALA 6 HB1 ALA 6 10.964 -3.747 6.255
36 HB2 ALA 6 HB2 ALA 6 12.446 -3.470 5.339
37 HB3 ALA 6 HB3 ALA 6 10.900 -3.588 4.499
38 H CGU 7 HN GLA 7 10.275 -1.501 3.148
39 HA CGU 7 HA GLA 7 12.532 -0.920 1.608
40 HB2 CGU 7 HB2 GLA 7 11.020 0.296 0.069
41 HB3 CGU 7 HB3 GLA 7 9.786 0.355 1.331
42 HG CGU 7 HG GLA 7 9.698 -2.107 1.367
43 H ASN 8 HN ASN 8 10.811 1.070 3.854
44 HA ASN 8 HA ASN 8 11.520 3.674 3.362
45 HB2 ASN 8 HB2 ASN 8 10.449 2.423 5.462
46 HB3 ASN 8 HB1 ASN 8 12.086 2.579 6.090
47 HD21 ASN 8 HD21 ASN 8 11.838 4.256 7.587
48 HD22 ASN 8 HD22 ASN 8 11.272 5.816 7.187
49 H GLN 9 HN GLN 9 13.623 1.206 4.882
50 HA GLN 9 HA GLN 9 15.904 3.040 4.911
51 HB2 GLN 9 HB2 GLN 9 16.068 1.563 6.692
52 HB3 GLN 9 HB1 GLN 9 15.379 0.222 5.779
53 HG2 GLN 9 HG2 GLN 9 17.832 -0.040 6.237
54 HG3 GLN 9 HG1 GLN 9 17.435 -0.050 4.519
55 HE21 GLN 9 HE21 GLN 9 17.184 3.045 6.071
56 HE22 GLN 9 HE22 GLN 9 18.643 3.697 5.473
57 H CGU 10 HN GLA 10 14.937 0.132 3.087
58 HA CGU 10 HA GLA 10 17.211 -0.224 1.513
59 HB2 CGU 10 HB2 GLA 10 14.359 -0.391 0.508
60 HB3 CGU 10 HB3 GLA 10 15.158 -1.660 1.435
61 HG CGU 10 HG GLA 10 16.943 -1.726 -0.347
62 H PHE 11 HN PHE 11 14.853 2.305 1.375
63 HA PHE 11 HA PHE 11 15.099 3.409 -1.136
64 HB2 PHE 11 HB2 PHE 11 13.901 4.293 0.954
65 HB3 PHE 11 HB1 PHE 11 15.430 5.074 1.354
66 HD1 PHE 11 HD1 PHE 11 13.243 4.605 -1.669
67 HD2 PHE 11 HD2 PHE 11 15.680 7.279 0.648
68 HE1 PHE 11 HE1 PHE 11 12.721 6.446 -3.245
69 HE2 PHE 11 HE2 PHE 11 15.156 9.121 -0.929
70 HZ PHE 11 HZ PHE 11 13.677 8.705 -2.875
71 H ALA 12 HN ALA 12 17.421 3.853 1.548
72 HA ALA 12 HA ALA 12 19.255 5.512 0.165
73 HB1 ALA 12 HB1 ALA 12 19.148 4.580 2.682
74 HB2 ALA 12 HB2 ALA 12 20.638 5.209 1.976
75 HB3 ALA 12 HB3 ALA 12 20.355 3.469 2.034
76 H ARG 13 HN ARG 13 18.783 2.024 0.028
77 HA ARG 13 HA ARG 13 21.271 1.643 -1.498
78 HB2 ARG 13 HB2 ARG 13 20.543 -0.132 0.031
79 HB3 ARG 13 HB1 ARG 13 19.021 -0.286 -0.849
80 HG2 ARG 13 HG2 ARG 13 20.192 -0.992 -2.858
81 HG3 ARG 13 HG1 ARG 13 21.755 -0.697 -2.095
82 HD2 ARG 13 HD2 ARG 13 21.243 -3.089 -2.019
83 HD3 ARG 13 HD1 ARG 13 21.214 -2.421 -0.382
84 HE ARG 13 HE ARG 13 18.578 -2.239 -1.261
85 HH11 ARG 13 HH11 ARG 13 20.652 -4.809 -1.953
86 HH12 ARG 13 HH12 ARG 13 19.663 -6.027 -1.218
87 HH21 ARG 13 HH21 ARG 13 17.414 -3.758 0.134
88 HH22 ARG 13 HH22 ARG 13 17.828 -5.431 -0.036
89 H CGU 14 HN GLA 14 17.813 1.988 -2.146
90 HA CGU 14 HA GLA 14 17.550 0.966 -4.687
91 HB2 CGU 14 HB2 GLA 14 16.320 3.484 -4.722
92 HB3 CGU 14 HB3 GLA 14 16.321 3.005 -3.039
93 HG CGU 14 HG GLA 14 15.377 0.809 -3.708
94 H LEU 15 HN LEU 15 19.048 4.052 -3.732
95 HA LEU 15 HA LEU 15 19.530 5.131 -6.289
96 HB2 LEU 15 HB2 LEU 15 21.397 6.342 -5.250
97 HB3 LEU 15 HB1 LEU 15 20.021 6.304 -4.150
98 HG LEU 15 HG LEU 15 21.166 4.090 -3.274
99 HD11 LEU 15 HD11 LEU 15 23.765 5.319 -3.616
100 HD12 LEU 15 HD12 LEU 15 23.056 4.951 -5.187
101 HD13 LEU 15 HD13 LEU 15 23.258 3.672 -3.992
102 HD21 LEU 15 HD21 LEU 15 20.789 6.093 -1.914
103 HD22 LEU 15 HD22 LEU 15 22.180 6.884 -2.657
104 HD23 LEU 15 HD23 LEU 15 22.415 5.476 -1.621
105 H ALA 16 HN ALA 16 21.111 2.502 -4.594
106 HA ALA 16 HA ALA 16 23.520 2.198 -5.942
107 HB1 ALA 16 HB1 ALA 16 22.689 0.658 -4.172
108 HB2 ALA 16 HB2 ALA 16 23.282 -0.220 -5.582
109 HB3 ALA 16 HB3 ALA 16 21.546 -0.027 -5.329
110 H ASN 17 HN ASN 17 20.318 1.969 -7.251
111 HA ASN 17 HA ASN 17 21.433 1.658 -9.947
112 HB2 ASN 17 HB2 ASN 17 19.550 -0.420 -8.785
113 HB3 ASN 17 HB1 ASN 17 20.025 -0.320 -10.482
114 HD21 ASN 17 HD21 ASN 17 20.817 -1.832 -7.579
115 HD22 ASN 17 HD22 ASN 17 22.432 -2.251 -7.935
116 HN1 NH2 18 H1 NH2 18 20.399 3.716 -10.369
117 HN2 NH2 18 H2 NH2 18 18.711 3.881 -10.434