Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652970 | 6urs RC | 30680 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 40.294 -12.467 -19.941
2 H2 ALA 1 H2 ALA 1 40.808 -13.830 -19.075
3 H3 ALA 1 H3 ALA 1 41.814 -13.145 -20.254
4 H SER 2 H SER 2 43.928 -13.087 -19.214
5 HG SER 2 HG SER 2 45.614 -15.913 -20.201
6 H MET 3 H MET 3 45.745 -12.040 -18.897
7 H GLY 4 H GLY 4 45.719 -10.549 -16.622
8 H LYS 5 H LYS 5 44.748 -9.015 -13.485
9 HZ1 LYS 5 HZ1 LYS 5 39.483 -14.030 -15.228
10 HZ2 LYS 5 HZ2 LYS 5 38.650 -13.813 -13.770
11 HZ3 LYS 5 HZ3 LYS 5 40.145 -14.601 -13.780
12 H SER 6 H SER 6 44.543 -9.204 -9.902
13 HG SER 6 HG SER 6 43.966 -10.543 -6.509
14 H LYS 7 H LYS 7 47.465 -8.285 -9.825
15 HZ1 LYS 7 HZ1 LYS 7 51.650 -7.326 -15.613
16 HZ2 LYS 7 HZ2 LYS 7 50.689 -6.062 -15.040
17 HZ3 LYS 7 HZ3 LYS 7 50.141 -7.026 -16.319
18 H GLU 8 H GLU 8 51.148 -9.920 -7.901
19 H ILE 9 H ILE 9 51.736 -10.521 -4.195
20 H SER 10 H SER 10 50.879 -8.872 -2.203
21 HG SER 10 HG SER 10 52.015 -6.087 -0.670
22 H GLN 11 H GLN 11 48.857 -7.617 -3.632
23 HE21 GLN 11 1HE2 GLN 11 47.090 -1.716 -5.112
24 HE22 GLN 11 2HE2 GLN 11 45.773 -2.813 -5.367
25 H ASP 12 H ASP 12 46.049 -8.107 -3.324
26 H LEU 13 H LEU 13 45.681 -7.612 -0.737
27 H ARG 14 H ARG 14 46.290 -5.091 -0.535
28 HE ARG 14 HE ARG 14 50.966 -2.862 -0.801
29 HH11 ARG 14 1HH1 ARG 14 50.302 -3.018 -4.351
30 HH12 ARG 14 2HH1 ARG 14 51.967 -3.120 -4.776
31 HH21 ARG 14 1HH2 ARG 14 53.221 -2.985 -1.468
32 HH22 ARG 14 2HH2 ARG 14 53.624 -3.072 -3.146
33 H LYS 15 H LYS 15 44.269 -3.955 -1.979
34 HZ1 LYS 15 HZ1 LYS 15 42.198 -4.173 -8.795
35 HZ2 LYS 15 HZ2 LYS 15 42.037 -5.493 -7.749
36 HZ3 LYS 15 HZ3 LYS 15 43.438 -5.320 -8.683
37 H ARG 16 H ARG 16 42.108 -4.490 -0.427
38 HE ARG 16 HE ARG 16 41.384 -8.167 2.250
39 HH11 ARG 16 1HH1 ARG 16 40.011 -9.219 -0.926
40 HH12 ARG 16 2HH1 ARG 16 41.342 -10.251 -1.291
41 HH21 ARG 16 1HH2 ARG 16 43.183 -9.538 1.652
42 HH22 ARG 16 2HH2 ARG 16 43.173 -10.394 0.154
43 H ILE 17 H ILE 17 42.644 -3.012 1.819
44 H VAL 18 H VAL 18 42.714 -0.456 0.907
45 H ASP 19 H ASP 19 40.106 -0.237 0.078
46 H LEU 20 H LEU 20 38.610 -0.267 2.314
47 H TYR 21 H TYR 21 39.593 1.857 3.490
48 HH TYR 21 HH TYR 21 44.660 8.004 6.265
49 H LYS 22 H LYS 22 38.795 4.045 1.908
50 HZ1 LYS 22 HZ1 LYS 22 41.856 6.803 -4.089
51 HZ2 LYS 22 HZ2 LYS 22 40.453 7.739 -3.947
52 HZ3 LYS 22 HZ3 LYS 22 40.333 6.060 -4.106
53 H SER 23 H SER 23 36.128 3.904 2.131
54 HG SER 23 HG SER 23 33.774 1.555 2.200
55 H GLY 24 H GLY 24 35.277 3.793 4.695
56 H SER 25 H SER 25 34.856 2.793 7.992
57 HG SER 25 HG SER 25 37.003 2.870 11.704
58 H SER 26 H SER 26 38.316 5.295 9.375
59 HG SER 26 HG SER 26 39.858 7.656 6.800
60 H LEU 27 H LEU 27 40.468 5.181 10.728
61 H GLY 28 H GLY 28 39.566 3.351 11.773
62 H ALA 29 H ALA 29 39.377 1.149 10.472
63 H ILE 30 H ILE 30 41.927 0.529 10.100
64 H SER 31 H SER 31 43.053 0.256 12.486
65 HG SER 31 HG SER 31 43.657 1.859 14.086
66 H LYS 32 H LYS 32 41.652 -1.960 13.424
67 HZ1 LYS 32 HZ1 LYS 32 35.293 -1.263 16.364
68 HZ2 LYS 32 HZ2 LYS 32 35.448 -2.945 16.462
69 HZ3 LYS 32 HZ3 LYS 32 35.488 -2.180 14.953
70 H ARG 33 H ARG 33 42.038 -4.084 11.763
71 HE ARG 33 HE ARG 33 42.610 -8.801 7.223
72 HH11 ARG 33 1HH1 ARG 33 39.906 -6.795 5.924
73 HH12 ARG 33 2HH1 ARG 33 39.714 -7.751 4.503
74 HH21 ARG 33 1HH2 ARG 33 42.286 -10.071 5.292
75 HH22 ARG 33 2HH2 ARG 33 41.088 -9.630 4.135
76 H LEU 34 H LEU 34 44.416 -4.201 10.611
77 H ALA 35 H ALA 35 45.594 -3.605 12.585
78 H VAL 36 H VAL 36 49.387 -3.534 12.859
79 H ARG 38 H ARG 38 52.234 0.968 10.730
80 HE ARG 38 HE ARG 38 55.191 -3.816 11.810
81 HH11 ARG 38 1HH1 ARG 38 57.851 -1.515 11.011
82 HH12 ARG 38 2HH1 ARG 38 58.615 -1.676 12.548
83 HH21 ARG 38 1HH2 ARG 38 56.259 -3.974 13.885
84 HH22 ARG 38 2HH2 ARG 38 57.726 -3.118 14.180
85 H SER 39 H SER 39 55.908 1.461 8.007
86 HG SER 39 HG SER 39 57.696 1.140 6.758
87 H SER 40 H SER 40 54.857 0.180 5.955
88 HG SER 40 HG SER 40 55.158 -2.927 4.485
89 H VAL 41 H VAL 41 51.919 0.330 5.789
90 H GLN 42 H GLN 42 51.687 2.773 6.072
91 HE21 GLN 42 1HE2 GLN 42 47.904 5.607 8.673
92 HE22 GLN 42 2HE2 GLN 42 48.914 4.226 8.914
93 H THR 43 H THR 43 52.935 4.038 3.720
94 HG1 THR 43 HG1 THR 43 55.872 4.497 2.493
95 H ILE 44 H ILE 44 51.380 3.398 1.688
96 H VAL 45 H VAL 45 48.992 4.394 2.476
97 H ARG 46 H ARG 46 49.539 7.054 2.440
98 HE ARG 46 HE ARG 46 53.542 9.556 2.795
99 HH11 ARG 46 1HH1 ARG 46 52.794 8.935 6.275
100 HH12 ARG 46 2HH1 ARG 46 54.053 7.767 6.454
101 HH21 ARG 46 1HH2 ARG 46 55.177 7.898 3.095
102 HH22 ARG 46 2HH2 ARG 46 55.411 7.183 4.644
103 H LYS 47 H LYS 47 49.626 7.850 -0.189
104 HZ1 LYS 47 HZ1 LYS 47 54.505 5.715 -2.923
105 HZ2 LYS 47 HZ2 LYS 47 55.488 6.883 -3.649
106 HZ3 LYS 47 HZ3 LYS 47 54.150 6.266 -4.483
107 H TYR 48 H TYR 48 47.313 7.072 -1.088
108 HH TYR 48 HH TYR 48 46.730 2.308 -6.003
109 H LYS 49 H LYS 49 45.729 8.854 0.342
110 HZ1 LYS 49 HZ1 LYS 49 44.988 12.977 6.350
111 HZ2 LYS 49 HZ2 LYS 49 43.959 11.753 6.908
112 HZ3 LYS 49 HZ3 LYS 49 43.457 13.369 6.953
113 H HIS 50 H HIS 50 46.030 11.183 -0.778
114 H HIS 51 H HIS 51 44.981 10.695 -3.240
115 H GLY 52 H GLY 52 42.474 10.323 -2.517
116 H THR 53 H THR 53 41.701 12.704 -1.881
117 HG1 THR 53 HG1 THR 53 42.113 13.651 0.187
118 H THR 54 H THR 54 42.059 14.691 -3.612
119 HG1 THR 54 HG1 THR 54 40.583 18.672 -4.111
120 H GLN 55 H GLN 55 40.817 14.050 -7.201
121 HE21 GLN 55 1HE2 GLN 55 43.474 8.314 -9.607
122 HE22 GLN 55 2HE2 GLN 55 44.485 9.450 -8.779
123 H HIS 56 H HIS 56 44.901 14.707 -8.889
124 H HIS 57 H HIS 57 43.930 16.495 -12.942
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 51.456 -22.774 -20.968
2 H2 ALA 1 H2 ALA 1 51.259 -24.266 -20.189
3 H3 ALA 1 H3 ALA 1 52.739 -23.445 -20.092
4 H SER 2 H SER 2 50.110 -20.471 -18.239
5 HG SER 2 HG SER 2 50.090 -16.026 -18.194
6 H MET 3 H MET 3 53.645 -17.642 -17.587
7 H GLY 4 H GLY 4 53.485 -15.802 -17.067
8 H LYS 5 H LYS 5 52.215 -12.107 -16.987
9 HZ1 LYS 5 HZ1 LYS 5 49.452 -15.415 -23.511
10 HZ2 LYS 5 HZ2 LYS 5 48.064 -14.693 -22.870
11 HZ3 LYS 5 HZ3 LYS 5 48.713 -16.073 -22.139
12 H SER 6 H SER 6 49.585 -13.523 -14.925
13 HG SER 6 HG SER 6 47.500 -13.957 -11.085
14 H LYS 7 H LYS 7 47.813 -9.960 -12.852
15 HZ1 LYS 7 HZ1 LYS 7 54.577 -7.985 -15.837
16 HZ2 LYS 7 HZ2 LYS 7 54.138 -9.358 -14.951
17 HZ3 LYS 7 HZ3 LYS 7 54.328 -7.870 -14.168
18 H GLU 8 H GLU 8 50.365 -7.789 -9.947
19 H ILE 9 H ILE 9 49.902 -10.013 -8.201
20 H SER 10 H SER 10 50.685 -10.014 -5.618
21 HG SER 10 HG SER 10 52.913 -9.190 -4.729
22 H GLN 11 H GLN 11 49.974 -7.717 -5.014
23 HE21 GLN 11 1HE2 GLN 11 52.742 -4.343 -2.296
24 HE22 GLN 11 2HE2 GLN 11 52.847 -5.535 -3.547
25 H ASP 12 H ASP 12 47.039 -7.795 -4.660
26 H LEU 13 H LEU 13 46.557 -8.166 -1.839
27 H ARG 14 H ARG 14 47.200 -5.865 -0.573
28 HE ARG 14 HE ARG 14 51.677 -5.037 1.576
29 HH11 ARG 14 1HH1 ARG 14 52.583 -2.580 -0.916
30 HH12 ARG 14 2HH1 ARG 14 54.278 -2.764 -0.648
31 HH21 ARG 14 1HH2 ARG 14 53.995 -5.254 1.860
32 HH22 ARG 14 2HH2 ARG 14 55.084 -4.301 0.917
33 H LYS 15 H LYS 15 45.731 -4.247 -1.711
34 HZ1 LYS 15 HZ1 LYS 15 45.136 -2.154 -8.261
35 HZ2 LYS 15 HZ2 LYS 15 45.734 -3.727 -8.087
36 HZ3 LYS 15 HZ3 LYS 15 46.770 -2.471 -8.560
37 H ARG 16 H ARG 16 43.214 -4.804 -0.668
38 HE ARG 16 HE ARG 16 40.576 -8.791 -2.590
39 HH11 ARG 16 1HH1 ARG 16 37.830 -7.127 -0.942
40 HH12 ARG 16 2HH1 ARG 16 36.767 -7.288 -2.289
41 HH21 ARG 16 1HH2 ARG 16 39.113 -8.941 -4.388
42 HH22 ARG 16 2HH2 ARG 16 37.506 -8.325 -4.272
43 H ILE 17 H ILE 17 43.386 -3.322 1.633
44 H VAL 18 H VAL 18 43.732 -0.969 1.278
45 H ASP 19 H ASP 19 41.234 -0.621 0.190
46 H LEU 20 H LEU 20 39.728 -0.120 2.268
47 H TYR 21 H TYR 21 40.405 2.081 3.103
48 HH TYR 21 HH TYR 21 43.255 10.069 4.283
49 H LYS 22 H LYS 22 39.546 3.795 1.157
50 HZ1 LYS 22 HZ1 LYS 22 37.693 6.245 -6.587
51 HZ2 LYS 22 HZ2 LYS 22 37.830 4.668 -5.988
52 HZ3 LYS 22 HZ3 LYS 22 39.181 5.688 -6.006
53 H SER 23 H SER 23 36.912 3.498 1.417
54 HG SER 23 HG SER 23 34.631 1.104 1.036
55 H GLY 24 H GLY 24 36.548 4.796 3.743
56 H SER 25 H SER 25 37.557 7.040 6.056
57 HG SER 25 HG SER 25 41.342 6.634 8.269
58 H SER 26 H SER 26 37.742 3.836 9.042
59 HG SER 26 HG SER 26 34.270 3.134 10.519
60 H LEU 27 H LEU 27 38.490 6.152 12.456
61 H GLY 28 H GLY 28 38.265 4.439 14.536
62 H ALA 29 H ALA 29 37.654 2.109 13.412
63 H ILE 30 H ILE 30 39.569 1.524 11.774
64 H SER 31 H SER 31 41.761 1.330 13.356
65 HG SER 31 HG SER 31 44.080 3.122 15.444
66 H LYS 32 H LYS 32 41.284 -0.973 14.753
67 HZ1 LYS 32 HZ1 LYS 32 37.238 -2.426 19.963
68 HZ2 LYS 32 HZ2 LYS 32 36.823 -1.043 19.079
69 HZ3 LYS 32 HZ3 LYS 32 37.458 -0.892 20.639
70 H ARG 33 H ARG 33 41.284 -2.826 12.854
71 HE ARG 33 HE ARG 33 37.188 -4.749 10.578
72 HH11 ARG 33 1HH1 ARG 33 37.608 -2.374 7.892
73 HH12 ARG 33 2HH1 ARG 33 35.942 -2.420 7.443
74 HH21 ARG 33 1HH2 ARG 33 34.972 -4.771 9.913
75 HH22 ARG 33 2HH2 ARG 33 34.435 -3.799 8.591
76 H LEU 34 H LEU 34 43.720 -2.783 11.646
77 H ALA 35 H ALA 35 45.461 -2.784 13.485
78 H VAL 36 H VAL 36 49.055 -3.764 12.871
79 H ARG 38 H ARG 38 52.058 0.144 10.413
80 HE ARG 38 HE ARG 38 54.755 -3.670 11.722
81 HH11 ARG 38 1HH1 ARG 38 55.383 -6.189 9.207
82 HH12 ARG 38 2HH1 ARG 38 55.548 -7.455 10.368
83 HH21 ARG 38 1HH2 ARG 38 54.978 -5.403 13.210
84 HH22 ARG 38 2HH2 ARG 38 55.330 -7.003 12.666
85 H SER 39 H SER 39 55.590 0.742 7.736
86 HG SER 39 HG SER 39 58.148 2.961 7.088
87 H SER 40 H SER 40 54.769 -0.241 5.295
88 HG SER 40 HG SER 40 55.738 -2.107 4.090
89 H VAL 41 H VAL 41 51.891 -0.376 5.066
90 H GLN 42 H GLN 42 51.414 2.077 5.627
91 HE21 GLN 42 1HE2 GLN 42 48.318 7.408 6.863
92 HE22 GLN 42 2HE2 GLN 42 49.665 7.701 5.815
93 H THR 43 H THR 43 52.425 3.413 3.294
94 HG1 THR 43 HG1 THR 43 54.566 3.800 2.732
95 H ILE 44 H ILE 44 50.574 2.835 1.429
96 H VAL 45 H VAL 45 48.499 3.877 2.336
97 H ARG 46 H ARG 46 49.079 6.504 2.145
98 HE ARG 46 HE ARG 46 53.213 8.670 1.979
99 HH11 ARG 46 1HH1 ARG 46 52.678 8.956 5.520
100 HH12 ARG 46 2HH1 ARG 46 53.755 7.671 5.923
101 HH21 ARG 46 1HH2 ARG 46 54.621 6.854 2.580
102 HH22 ARG 46 2HH2 ARG 46 54.890 6.499 4.245
103 H LYS 47 H LYS 47 48.801 6.860 -0.562
104 HZ1 LYS 47 HZ1 LYS 47 52.184 2.987 -5.513
105 HZ2 LYS 47 HZ2 LYS 47 50.732 3.542 -6.176
106 HZ3 LYS 47 HZ3 LYS 47 50.711 2.574 -4.790
107 H TYR 48 H TYR 48 46.167 6.594 -1.040
108 HH TYR 48 HH TYR 48 44.466 1.845 -5.200
109 H LYS 49 H LYS 49 45.277 8.684 0.471
110 HZ1 LYS 49 HZ1 LYS 49 46.210 12.024 6.719
111 HZ2 LYS 49 HZ2 LYS 49 46.106 13.698 6.932
112 HZ3 LYS 49 HZ3 LYS 49 47.307 13.045 5.936
113 H HIS 50 H HIS 50 46.007 10.839 -0.922
114 H HIS 51 H HIS 51 44.399 10.695 -3.166
115 H GLY 52 H GLY 52 42.207 11.001 -1.969
116 H THR 53 H THR 53 41.687 13.558 -1.829
117 HG1 THR 53 HG1 THR 53 42.932 14.469 -0.361
118 H THR 54 H THR 54 40.877 15.486 -3.755
119 HG1 THR 54 HG1 THR 54 40.292 18.382 -3.160
120 H GLN 55 H GLN 55 41.080 15.995 -6.075
121 HE21 GLN 55 1HE2 GLN 55 41.559 9.077 -8.205
122 HE22 GLN 55 2HE2 GLN 55 42.569 10.448 -8.516
123 H HIS 56 H HIS 56 38.043 14.458 -7.997
124 H HIS 57 H HIS 57 37.477 16.982 -11.774
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 56.760 -13.284 3.215
2 H2 ALA 1 H2 ALA 1 56.852 -13.843 4.815
3 H3 ALA 1 H3 ALA 1 55.346 -13.676 4.054
4 H SER 2 H SER 2 56.856 -16.643 1.291
5 HG SER 2 HG SER 2 57.075 -15.691 -2.365
6 H MET 3 H MET 3 55.855 -18.847 1.154
7 H GLY 4 H GLY 4 51.849 -20.832 0.534
8 H LYS 5 H LYS 5 51.520 -18.144 1.105
9 HZ1 LYS 5 HZ1 LYS 5 51.881 -14.267 7.514
10 HZ2 LYS 5 HZ2 LYS 5 51.424 -13.078 6.401
11 HZ3 LYS 5 HZ3 LYS 5 52.890 -13.901 6.203
12 H SER 6 H SER 6 50.800 -18.352 -0.768
13 HG SER 6 HG SER 6 52.971 -19.594 -3.095
14 H LYS 7 H LYS 7 48.319 -18.329 -1.601
15 HZ1 LYS 7 HZ1 LYS 7 45.324 -23.537 0.236
16 HZ2 LYS 7 HZ2 LYS 7 45.894 -24.820 -0.704
17 HZ3 LYS 7 HZ3 LYS 7 44.457 -24.036 -1.127
18 H GLU 8 H GLU 8 44.470 -17.533 -3.866
19 H ILE 9 H ILE 9 42.738 -13.396 -3.105
20 H SER 10 H SER 10 44.839 -13.583 -0.964
21 HG SER 10 HG SER 10 47.613 -14.695 0.434
22 H GLN 11 H GLN 11 45.870 -11.341 -2.084
23 HE21 GLN 11 1HE2 GLN 11 50.575 -9.334 -1.684
24 HE22 GLN 11 2HE2 GLN 11 49.772 -10.815 -2.082
25 H ASP 12 H ASP 12 43.706 -10.240 -2.401
26 H LEU 13 H LEU 13 43.014 -9.502 0.112
27 H ARG 14 H ARG 14 44.612 -7.460 0.678
28 HE ARG 14 HE ARG 14 49.261 -4.602 0.462
29 HH11 ARG 14 1HH1 ARG 14 49.458 -6.174 3.710
30 HH12 ARG 14 2HH1 ARG 14 50.133 -4.778 4.467
31 HH21 ARG 14 1HH2 ARG 14 50.127 -2.758 1.545
32 HH22 ARG 14 2HH2 ARG 14 50.533 -2.831 3.221
33 H LYS 15 H LYS 15 43.743 -5.702 -1.184
34 HZ1 LYS 15 HZ1 LYS 15 42.382 -6.276 -7.625
35 HZ2 LYS 15 HZ2 LYS 15 42.925 -7.774 -7.058
36 HZ3 LYS 15 HZ3 LYS 15 43.840 -6.915 -8.196
37 H ARG 16 H ARG 16 41.289 -5.197 -0.303
38 HE ARG 16 HE ARG 16 38.050 -8.145 1.463
39 HH11 ARG 16 1HH1 ARG 16 37.658 -8.082 -2.126
40 HH12 ARG 16 2HH1 ARG 16 38.392 -9.628 -2.353
41 HH21 ARG 16 1HH2 ARG 16 39.012 -10.238 1.087
42 HH22 ARG 16 2HH2 ARG 16 39.151 -10.865 -0.515
43 H ILE 17 H ILE 17 41.998 -3.731 1.916
44 H VAL 18 H VAL 18 42.940 -1.412 1.268
45 H ASP 19 H ASP 19 41.013 -0.500 -0.372
46 H LEU 20 H LEU 20 38.865 -0.329 1.291
47 H TYR 21 H TYR 21 39.653 1.718 2.809
48 HH TYR 21 HH TYR 21 41.872 8.236 7.771
49 H LYS 22 H LYS 22 39.516 3.895 1.114
50 HZ1 LYS 22 HZ1 LYS 22 39.869 7.052 -6.392
51 HZ2 LYS 22 HZ2 LYS 22 38.921 5.691 -6.062
52 HZ3 LYS 22 HZ3 LYS 22 40.499 5.782 -5.463
53 H SER 23 H SER 23 36.862 3.829 0.764
54 HG SER 23 HG SER 23 34.553 1.749 -0.664
55 H GLY 24 H GLY 24 36.105 5.161 3.084
56 H SER 25 H SER 25 36.114 3.863 4.749
57 HG SER 25 HG SER 25 35.940 0.446 6.021
58 H SER 26 H SER 26 36.595 3.508 9.340
59 HG SER 26 HG SER 26 37.144 3.587 12.671
60 H LEU 27 H LEU 27 40.398 5.676 10.736
61 H GLY 28 H GLY 28 40.208 3.764 12.442
62 H ALA 29 H ALA 29 39.449 1.491 11.295
63 H ILE 30 H ILE 30 41.427 0.855 9.806
64 H SER 31 H SER 31 43.350 0.361 11.498
65 HG SER 31 HG SER 31 44.942 1.888 14.034
66 H LYS 32 H LYS 32 42.347 -1.917 12.607
67 HZ1 LYS 32 HZ1 LYS 32 36.352 -2.163 14.159
68 HZ2 LYS 32 HZ2 LYS 32 36.032 -2.173 15.819
69 HZ3 LYS 32 HZ3 LYS 32 36.335 -3.625 15.006
70 H ARG 33 H ARG 33 42.365 -3.844 10.631
71 HE ARG 33 HE ARG 33 38.332 -4.975 8.687
72 HH11 ARG 33 1HH1 ARG 33 38.884 -5.181 5.131
73 HH12 ARG 33 2HH1 ARG 33 37.235 -4.838 4.741
74 HH21 ARG 33 1HH2 ARG 33 36.147 -4.452 8.094
75 HH22 ARG 33 2HH2 ARG 33 35.670 -4.405 6.436
76 H LEU 34 H LEU 34 44.826 -3.887 9.449
77 H ALA 35 H ALA 35 46.283 -4.038 11.589
78 H VAL 36 H VAL 36 50.089 -4.770 11.370
79 H ARG 38 H ARG 38 52.974 -0.160 10.530
80 HE ARG 38 HE ARG 38 57.004 -3.547 10.835
81 HH11 ARG 38 1HH1 ARG 38 58.796 -3.848 7.718
82 HH12 ARG 38 2HH1 ARG 38 59.617 -5.289 8.188
83 HH21 ARG 38 1HH2 ARG 38 58.146 -5.499 11.418
84 HH22 ARG 38 2HH2 ARG 38 59.245 -6.236 10.310
85 H SER 39 H SER 39 56.525 2.093 8.714
86 HG SER 39 HG SER 39 58.477 2.899 7.895
87 H SER 40 H SER 40 56.187 1.802 6.054
88 HG SER 40 HG SER 40 57.795 0.385 3.355
89 H VAL 41 H VAL 41 53.419 0.993 5.404
90 H GLN 42 H GLN 42 52.172 3.036 6.449
91 HE21 GLN 42 1HE2 GLN 42 51.691 4.215 12.116
92 HE22 GLN 42 2HE2 GLN 42 50.812 3.127 11.095
93 H THR 43 H THR 43 52.985 5.171 4.859
94 HG1 THR 43 HG1 THR 43 55.625 6.481 4.342
95 H ILE 44 H ILE 44 51.876 4.590 2.477
96 H VAL 45 H VAL 45 49.226 4.703 3.048
97 H ARG 46 H ARG 46 48.847 7.417 3.551
98 HE ARG 46 HE ARG 46 51.507 10.798 5.605
99 HH11 ARG 46 1HH1 ARG 46 49.800 8.976 8.217
100 HH12 ARG 46 2HH1 ARG 46 51.222 8.147 8.728
101 HH21 ARG 46 1HH2 ARG 46 53.382 9.645 6.339
102 HH22 ARG 46 2HH2 ARG 46 53.277 8.528 7.651
103 H LYS 47 H LYS 47 49.204 8.530 1.069
104 HZ1 LYS 47 HZ1 LYS 47 54.552 8.522 -3.200
105 HZ2 LYS 47 HZ2 LYS 47 54.229 7.197 -2.199
106 HZ3 LYS 47 HZ3 LYS 47 55.488 8.257 -1.813
107 H TYR 48 H TYR 48 47.290 7.407 -0.276
108 HH TYR 48 HH TYR 48 40.768 3.014 -3.656
109 H LYS 49 H LYS 49 45.058 8.393 0.843
110 HZ1 LYS 49 HZ1 LYS 49 42.103 11.903 6.728
111 HZ2 LYS 49 HZ2 LYS 49 41.530 10.309 6.781
112 HZ3 LYS 49 HZ3 LYS 49 40.448 11.606 6.943
113 H HIS 50 H HIS 50 45.240 10.879 0.222
114 H HIS 51 H HIS 51 44.489 10.686 -2.482
115 H GLY 52 H GLY 52 41.741 11.365 -2.528
116 H THR 53 H THR 53 41.671 13.956 -2.393
117 HG1 THR 53 HG1 THR 53 41.748 15.936 0.329
118 H THR 54 H THR 54 43.232 15.422 -3.771
119 HG1 THR 54 HG1 THR 54 43.019 18.610 -3.914
120 H GLN 55 H GLN 55 43.238 14.972 -7.632
121 HE21 GLN 55 1HE2 GLN 55 44.575 8.771 -10.748
122 HE22 GLN 55 2HE2 GLN 55 45.986 9.442 -9.999
123 H HIS 56 H HIS 56 44.791 15.547 -9.508
124 H HIS 57 H HIS 57 48.931 17.145 -9.705
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 39.315 -13.649 -17.635
2 H2 ALA 1 H2 ALA 1 38.984 -12.440 -18.777
3 H3 ALA 1 H3 ALA 1 39.567 -12.024 -17.239
4 H SER 2 H SER 2 43.218 -13.966 -18.805
5 HG SER 2 HG SER 2 45.304 -16.652 -18.866
6 H MET 3 H MET 3 44.548 -12.133 -18.454
7 H GLY 4 H GLY 4 44.735 -10.479 -16.211
8 H LYS 5 H LYS 5 43.697 -9.923 -13.556
9 HZ1 LYS 5 HZ1 LYS 5 41.871 -17.145 -12.908
10 HZ2 LYS 5 HZ2 LYS 5 42.607 -17.205 -14.428
11 HZ3 LYS 5 HZ3 LYS 5 40.922 -17.212 -14.303
12 H SER 6 H SER 6 44.219 -8.908 -10.738
13 HG SER 6 HG SER 6 42.830 -9.157 -6.894
14 H LYS 7 H LYS 7 47.204 -7.953 -10.248
15 HZ1 LYS 7 HZ1 LYS 7 54.707 -6.332 -13.312
16 HZ2 LYS 7 HZ2 LYS 7 53.179 -5.613 -13.392
17 HZ3 LYS 7 HZ3 LYS 7 53.471 -7.072 -14.195
18 H GLU 8 H GLU 8 50.680 -9.876 -8.106
19 H ILE 9 H ILE 9 51.414 -10.526 -4.367
20 H SER 10 H SER 10 50.824 -8.889 -2.417
21 HG SER 10 HG SER 10 52.086 -5.812 -1.646
22 H GLN 11 H GLN 11 48.833 -7.395 -3.685
23 HE21 GLN 11 1HE2 GLN 11 46.784 -1.602 -5.208
24 HE22 GLN 11 2HE2 GLN 11 45.482 -2.735 -5.357
25 H ASP 12 H ASP 12 46.050 -8.083 -3.081
26 H LEU 13 H LEU 13 45.792 -7.518 -0.474
27 H ARG 14 H ARG 14 46.321 -4.972 -0.393
28 HE ARG 14 HE ARG 14 50.837 -2.970 -0.843
29 HH11 ARG 14 1HH1 ARG 14 50.105 -2.539 -4.361
30 HH12 ARG 14 2HH1 ARG 14 51.729 -2.857 -4.846
31 HH21 ARG 14 1HH2 ARG 14 53.028 -3.305 -1.582
32 HH22 ARG 14 2HH2 ARG 14 53.395 -3.274 -3.271
33 H LYS 15 H LYS 15 44.216 -3.960 -1.782
34 HZ1 LYS 15 HZ1 LYS 15 42.927 -6.402 -7.817
35 HZ2 LYS 15 HZ2 LYS 15 42.093 -5.139 -8.576
36 HZ3 LYS 15 HZ3 LYS 15 41.419 -5.908 -7.229
37 H ARG 16 H ARG 16 42.086 -4.486 -0.183
38 HE ARG 16 HE ARG 16 41.189 -9.347 0.511
39 HH11 ARG 16 1HH1 ARG 16 37.892 -8.243 1.472
40 HH12 ARG 16 2HH1 ARG 16 37.093 -9.456 0.539
41 HH21 ARG 16 1HH2 ARG 16 40.075 -10.925 -0.730
42 HH22 ARG 16 2HH2 ARG 16 38.349 -10.995 -0.734
43 H ILE 17 H ILE 17 42.624 -2.905 1.974
44 H VAL 18 H VAL 18 42.691 -0.400 0.995
45 H ASP 19 H ASP 19 40.102 -0.128 0.051
46 H LEU 20 H LEU 20 38.587 -0.068 2.322
47 H TYR 21 H TYR 21 39.598 1.999 3.498
48 HH TYR 21 HH TYR 21 44.917 7.782 6.578
49 H LYS 22 H LYS 22 38.862 4.197 1.973
50 HZ1 LYS 22 HZ1 LYS 22 40.000 7.273 -4.103
51 HZ2 LYS 22 HZ2 LYS 22 40.573 5.684 -4.178
52 HZ3 LYS 22 HZ3 LYS 22 41.658 6.979 -4.272
53 H SER 23 H SER 23 36.191 4.167 2.080
54 HG SER 23 HG SER 23 33.528 2.489 3.175
55 H GLY 24 H GLY 24 35.256 3.973 4.611
56 H SER 25 H SER 25 34.723 2.892 7.900
57 HG SER 25 HG SER 25 36.814 1.629 11.522
58 H SER 26 H SER 26 38.218 5.198 9.412
59 HG SER 26 HG SER 26 39.808 7.651 7.166
60 H LEU 27 H LEU 27 40.108 5.022 10.873
61 H GLY 28 H GLY 28 39.174 3.040 11.959
62 H ALA 29 H ALA 29 39.355 0.886 10.346
63 H ILE 30 H ILE 30 41.911 0.386 10.091
64 H SER 31 H SER 31 42.781 0.001 12.562
65 HG SER 31 HG SER 31 43.174 1.512 14.242
66 H LYS 32 H LYS 32 41.441 -2.403 13.240
67 HZ1 LYS 32 HZ1 LYS 32 34.606 -4.392 15.054
68 HZ2 LYS 32 HZ2 LYS 32 35.362 -4.668 13.567
69 HZ3 LYS 32 HZ3 LYS 32 34.688 -3.153 13.903
70 H ARG 33 H ARG 33 42.236 -4.422 11.542
71 HE ARG 33 HE ARG 33 39.013 -6.989 8.920
72 HH11 ARG 33 1HH1 ARG 33 40.410 -6.896 5.590
73 HH12 ARG 33 2HH1 ARG 33 38.888 -7.188 4.829
74 HH21 ARG 33 1HH2 ARG 33 37.016 -7.349 7.836
75 HH22 ARG 33 2HH2 ARG 33 36.944 -7.456 6.113
76 H LEU 34 H LEU 34 44.795 -4.249 10.755
77 H ALA 35 H ALA 35 45.708 -3.451 12.807
78 H VAL 36 H VAL 36 49.386 -3.054 13.367
79 H ARG 38 H ARG 38 52.031 1.470 11.015
80 HE ARG 38 HE ARG 38 55.114 -2.946 12.807
81 HH11 ARG 38 1HH1 ARG 38 57.670 -0.453 12.249
82 HH12 ARG 38 2HH1 ARG 38 58.242 -0.519 13.877
83 HH21 ARG 38 1HH2 ARG 38 55.913 -2.962 14.976
84 HH22 ARG 38 2HH2 ARG 38 57.241 -1.960 15.440
85 H SER 39 H SER 39 55.852 1.988 8.506
86 HG SER 39 HG SER 39 58.457 2.083 6.292
87 H SER 40 H SER 40 55.015 0.545 6.401
88 HG SER 40 HG SER 40 55.549 -2.550 5.301
89 H VAL 41 H VAL 41 52.088 0.619 6.069
90 H GLN 42 H GLN 42 51.718 3.031 6.189
91 HE21 GLN 42 1HE2 GLN 42 47.855 5.855 8.454
92 HE22 GLN 42 2HE2 GLN 42 48.892 4.499 8.733
93 H THR 43 H THR 43 52.994 4.201 3.826
94 HG1 THR 43 HG1 THR 43 55.066 4.553 3.481
95 H ILE 44 H ILE 44 51.478 3.446 1.774
96 H VAL 45 H VAL 45 49.026 4.365 2.433
97 H ARG 46 H ARG 46 49.464 7.060 2.341
98 HE ARG 46 HE ARG 46 51.395 9.012 6.655
99 HH11 ARG 46 1HH1 ARG 46 49.900 12.060 5.443
100 HH12 ARG 46 2HH1 ARG 46 49.151 12.434 6.953
101 HH21 ARG 46 1HH2 ARG 46 50.324 9.529 8.635
102 HH22 ARG 46 2HH2 ARG 46 49.408 10.986 8.794
103 H LYS 47 H LYS 47 49.583 7.761 -0.302
104 HZ1 LYS 47 HZ1 LYS 47 54.476 6.169 -4.597
105 HZ2 LYS 47 HZ2 LYS 47 53.939 5.129 -3.376
106 HZ3 LYS 47 HZ3 LYS 47 55.386 5.979 -3.183
107 H TYR 48 H TYR 48 47.368 6.981 -1.331
108 HH TYR 48 HH TYR 48 47.815 2.121 -5.694
109 H LYS 49 H LYS 49 45.787 8.739 -0.009
110 HZ1 LYS 49 HZ1 LYS 49 44.989 10.660 6.508
111 HZ2 LYS 49 HZ2 LYS 49 44.507 12.157 7.133
112 HZ3 LYS 49 HZ3 LYS 49 45.914 12.043 6.200
113 H HIS 50 H HIS 50 46.066 11.055 -1.200
114 H HIS 51 H HIS 51 44.927 10.639 -3.516
115 H GLY 52 H GLY 52 42.469 10.334 -2.661
116 H THR 53 H THR 53 41.712 12.649 -1.887
117 HG1 THR 53 HG1 THR 53 42.209 13.544 0.166
118 H THR 54 H THR 54 42.009 14.718 -3.666
119 HG1 THR 54 HG1 THR 54 40.383 18.684 -4.068
120 H GLN 55 H GLN 55 40.618 14.061 -7.148
121 HE21 GLN 55 1HE2 GLN 55 42.899 8.320 -9.443
122 HE22 GLN 55 2HE2 GLN 55 44.012 9.456 -8.760
123 H HIS 56 H HIS 56 44.657 14.539 -9.156
124 H HIS 57 H HIS 57 43.315 16.818 -12.928
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 55.244 -3.838 -25.868
2 H2 ALA 1 H2 ALA 1 53.581 -4.171 -25.931
3 H3 ALA 1 H3 ALA 1 54.676 -5.408 -25.570
4 H SER 2 H SER 2 54.140 -5.284 -21.782
5 HG SER 2 HG SER 2 52.095 -7.940 -18.957
6 H MET 3 H MET 3 49.604 -5.883 -21.605
7 H GLY 4 H GLY 4 49.012 -3.514 -18.054
8 H LYS 5 H LYS 5 47.892 -6.241 -14.733
9 HZ1 LYS 5 HZ1 LYS 5 50.471 -5.217 -8.256
10 HZ2 LYS 5 HZ2 LYS 5 49.418 -3.905 -8.065
11 HZ3 LYS 5 HZ3 LYS 5 50.746 -3.783 -9.105
12 H SER 6 H SER 6 50.592 -9.678 -14.137
13 HG SER 6 HG SER 6 51.424 -13.024 -14.352
14 H LYS 7 H LYS 7 48.334 -12.583 -11.468
15 HZ1 LYS 7 HZ1 LYS 7 48.955 -17.414 -9.917
16 HZ2 LYS 7 HZ2 LYS 7 49.858 -17.522 -8.489
17 HZ3 LYS 7 HZ3 LYS 7 50.329 -18.402 -9.856
18 H GLU 8 H GLU 8 46.835 -10.983 -9.500
19 H ILE 9 H ILE 9 47.262 -11.477 -6.851
20 H SER 10 H SER 10 48.736 -10.078 -4.851
21 HG SER 10 HG SER 10 51.453 -8.182 -4.908
22 H GLN 11 H GLN 11 47.914 -7.650 -5.158
23 HE21 GLN 11 1HE2 GLN 11 47.823 -1.385 -4.861
24 HE22 GLN 11 2HE2 GLN 11 46.220 -2.022 -5.009
25 H ASP 12 H ASP 12 45.397 -7.792 -4.301
26 H LEU 13 H LEU 13 45.403 -7.530 -1.430
27 H ARG 14 H ARG 14 46.265 -5.133 -1.121
28 HE ARG 14 HE ARG 14 49.483 -0.948 -1.572
29 HH11 ARG 14 1HH1 ARG 14 50.679 -2.687 -4.507
30 HH12 ARG 14 2HH1 ARG 14 51.202 -1.244 -5.287
31 HH21 ARG 14 1HH2 ARG 14 50.196 0.962 -2.689
32 HH22 ARG 14 2HH2 ARG 14 50.898 0.849 -4.261
33 H LYS 15 H LYS 15 44.299 -3.759 -2.262
34 HZ1 LYS 15 HZ1 LYS 15 42.623 -4.776 -9.069
35 HZ2 LYS 15 HZ2 LYS 15 41.187 -4.311 -8.303
36 HZ3 LYS 15 HZ3 LYS 15 42.016 -5.690 -7.778
37 H ARG 16 H ARG 16 42.313 -4.111 -0.535
38 HE ARG 16 HE ARG 16 40.379 -8.921 0.490
39 HH11 ARG 16 1HH1 ARG 16 37.821 -7.023 2.192
40 HH12 ARG 16 2HH1 ARG 16 36.537 -8.017 1.615
41 HH21 ARG 16 1HH2 ARG 16 38.604 -10.255 -0.206
42 HH22 ARG 16 2HH2 ARG 16 36.993 -9.912 0.307
43 H ILE 17 H ILE 17 43.238 -2.578 1.570
44 H VAL 18 H VAL 18 43.261 -0.068 0.654
45 H ASP 19 H ASP 19 40.654 0.337 -0.064
46 H LEU 20 H LEU 20 39.369 0.152 2.328
47 H TYR 21 H TYR 21 40.361 2.299 3.557
48 HH TYR 21 HH TYR 21 43.619 9.402 7.005
49 H LYS 22 H LYS 22 39.310 4.476 2.152
50 HZ1 LYS 22 HZ1 LYS 22 40.944 5.731 -4.561
51 HZ2 LYS 22 HZ2 LYS 22 39.388 6.367 -4.350
52 HZ3 LYS 22 HZ3 LYS 22 39.700 4.748 -3.978
53 H SER 23 H SER 23 36.730 4.061 2.627
54 HG SER 23 HG SER 23 35.319 2.470 1.571
55 H GLY 24 H GLY 24 36.533 4.754 5.199
56 H SER 25 H SER 25 37.891 4.863 7.356
57 HG SER 25 HG SER 25 40.754 3.375 7.241
58 H SER 26 H SER 26 38.205 5.774 9.228
59 HG SER 26 HG SER 26 37.214 7.041 13.890
60 H LEU 27 H LEU 27 39.544 4.870 13.488
61 H GLY 28 H GLY 28 39.455 3.312 14.331
62 H ALA 29 H ALA 29 38.753 1.338 12.282
63 H ILE 30 H ILE 30 40.952 0.911 10.847
64 H SER 31 H SER 31 42.596 0.160 12.768
65 HG SER 31 HG SER 31 43.548 1.369 14.693
66 H LYS 32 H LYS 32 41.496 -2.399 13.395
67 HZ1 LYS 32 HZ1 LYS 32 35.463 -3.974 14.895
68 HZ2 LYS 32 HZ2 LYS 32 35.206 -3.643 16.534
69 HZ3 LYS 32 HZ3 LYS 32 35.669 -5.195 16.048
70 H ARG 33 H ARG 33 42.145 -3.885 11.223
71 HE ARG 33 HE ARG 33 40.798 -4.228 6.521
72 HH11 ARG 33 1HH1 ARG 33 42.132 -7.433 5.528
73 HH12 ARG 33 2HH1 ARG 33 40.584 -8.079 5.123
74 HH21 ARG 33 1HH2 ARG 33 38.735 -5.187 6.014
75 HH22 ARG 33 2HH2 ARG 33 38.645 -6.807 5.425
76 H LEU 34 H LEU 34 44.859 -3.644 10.704
77 H ALA 35 H ALA 35 47.645 -4.914 13.217
78 H VAL 36 H VAL 36 49.887 -4.752 14.079
79 H ARG 38 H ARG 38 52.682 -0.713 11.414
80 HE ARG 38 HE ARG 38 48.224 2.420 10.098
81 HH11 ARG 38 1HH1 ARG 38 47.415 1.754 13.550
82 HH12 ARG 38 2HH1 ARG 38 46.637 3.275 13.787
83 HH21 ARG 38 1HH2 ARG 38 47.085 4.445 10.468
84 HH22 ARG 38 2HH2 ARG 38 46.501 4.833 12.040
85 H SER 39 H SER 39 54.082 0.229 9.576
86 HG SER 39 HG SER 39 57.389 1.091 9.726
87 H SER 40 H SER 40 53.796 -0.174 6.774
88 HG SER 40 HG SER 40 52.481 -2.552 4.752
89 H VAL 41 H VAL 41 51.401 0.426 6.409
90 H GLN 42 H GLN 42 51.298 3.169 6.908
91 HE21 GLN 42 1HE2 GLN 42 48.727 5.538 10.562
92 HE22 GLN 42 2HE2 GLN 42 49.901 4.278 10.381
93 H THR 43 H THR 43 52.386 4.190 4.593
94 HG1 THR 43 HG1 THR 43 54.458 4.365 4.291
95 H ILE 44 H ILE 44 50.889 3.432 2.615
96 H VAL 45 H VAL 45 48.441 4.609 3.234
97 H ARG 46 H ARG 46 48.943 7.319 2.779
98 HE ARG 46 HE ARG 46 52.619 10.140 3.682
99 HH11 ARG 46 1HH1 ARG 46 50.863 9.847 6.820
100 HH12 ARG 46 2HH1 ARG 46 51.991 8.729 7.489
101 HH21 ARG 46 1HH2 ARG 46 54.114 8.631 4.639
102 HH22 ARG 46 2HH2 ARG 46 53.876 8.057 6.248
103 H LYS 47 H LYS 47 49.507 7.697 0.092
104 HZ1 LYS 47 HZ1 LYS 47 54.386 5.020 -2.392
105 HZ2 LYS 47 HZ2 LYS 47 55.715 6.056 -2.240
106 HZ3 LYS 47 HZ3 LYS 47 54.845 6.004 -3.689
107 H TYR 48 H TYR 48 47.354 6.693 -1.169
108 HH TYR 48 HH TYR 48 48.883 1.615 -5.088
109 H LYS 49 H LYS 49 45.470 8.394 -0.215
110 HZ1 LYS 49 HZ1 LYS 49 43.519 12.876 5.322
111 HZ2 LYS 49 HZ2 LYS 49 42.868 11.336 5.584
112 HZ3 LYS 49 HZ3 LYS 49 41.894 12.713 5.759
113 H HIS 50 H HIS 50 45.869 10.708 -1.511
114 H HIS 51 H HIS 51 45.170 9.951 -4.048
115 H GLY 52 H GLY 52 42.531 9.427 -3.772
116 H THR 53 H THR 53 41.507 11.813 -3.208
117 HG1 THR 53 HG1 THR 53 41.171 12.363 -1.111
118 H THR 54 H THR 54 42.134 13.668 -4.842
119 HG1 THR 54 HG1 THR 54 43.828 16.572 -4.542
120 H GLN 55 H GLN 55 42.812 12.925 -7.336
121 HE21 GLN 55 1HE2 GLN 55 48.194 12.609 -9.612
122 HE22 GLN 55 2HE2 GLN 55 47.250 14.016 -9.252
123 H HIS 56 H HIS 56 41.365 10.705 -8.506
124 H HIS 57 H HIS 57 37.925 9.513 -11.346
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 59.736 -15.252 9.135
2 H2 ALA 1 H2 ALA 1 61.305 -15.572 9.684
3 H3 ALA 1 H3 ALA 1 60.552 -16.629 8.594
4 H SER 2 H SER 2 61.433 -13.159 5.885
5 HG SER 2 HG SER 2 60.653 -9.815 5.152
6 H MET 3 H MET 3 61.472 -14.286 3.789
7 H GLY 4 H GLY 4 59.433 -16.250 0.176
8 H LYS 5 H LYS 5 56.721 -19.549 -0.214
9 HZ1 LYS 5 HZ1 LYS 5 57.140 -25.280 -4.438
10 HZ2 LYS 5 HZ2 LYS 5 56.518 -25.578 -2.893
11 HZ3 LYS 5 HZ3 LYS 5 58.068 -26.124 -3.299
12 H SER 6 H SER 6 55.101 -17.657 -0.690
13 HG SER 6 HG SER 6 51.680 -17.405 0.046
14 H LYS 7 H LYS 7 52.362 -16.356 -4.066
15 HZ1 LYS 7 HZ1 LYS 7 53.886 -19.270 -10.216
16 HZ2 LYS 7 HZ2 LYS 7 54.453 -17.866 -10.975
17 HZ3 LYS 7 HZ3 LYS 7 52.895 -17.917 -10.308
18 H GLU 8 H GLU 8 53.436 -12.265 -4.044
19 H ILE 9 H ILE 9 49.006 -11.970 -3.893
20 H SER 10 H SER 10 49.584 -11.505 -0.209
21 HG SER 10 HG SER 10 51.329 -10.340 0.854
22 H GLN 11 H GLN 11 49.637 -9.186 -1.455
23 HE21 GLN 11 1HE2 GLN 11 50.545 -2.861 -2.329
24 HE22 GLN 11 2HE2 GLN 11 49.546 -3.427 -3.616
25 H ASP 12 H ASP 12 47.210 -9.006 -2.739
26 H LEU 13 H LEU 13 45.501 -8.622 -0.845
27 H ARG 14 H ARG 14 46.315 -6.275 0.042
28 HE ARG 14 HE ARG 14 50.569 -4.769 3.327
29 HH11 ARG 14 1HH1 ARG 14 51.264 -5.883 -0.049
30 HH12 ARG 14 2HH1 ARG 14 52.103 -7.292 0.483
31 HH21 ARG 14 1HH2 ARG 14 51.803 -6.607 3.951
32 HH22 ARG 14 2HH2 ARG 14 52.414 -7.713 2.775
33 H LYS 15 H LYS 15 45.442 -4.595 -1.957
34 HZ1 LYS 15 HZ1 LYS 15 46.329 -7.129 -7.110
35 HZ2 LYS 15 HZ2 LYS 15 47.625 -6.498 -7.991
36 HZ3 LYS 15 HZ3 LYS 15 46.059 -5.921 -8.267
37 H ARG 16 H ARG 16 42.751 -4.495 -1.586
38 HE ARG 16 HE ARG 16 39.915 -7.301 -3.996
39 HH11 ARG 16 1HH1 ARG 16 39.682 -9.710 -1.319
40 HH12 ARG 16 2HH1 ARG 16 39.725 -11.068 -2.383
41 HH21 ARG 16 1HH2 ARG 16 40.005 -9.177 -5.367
42 HH22 ARG 16 2HH2 ARG 16 39.915 -10.765 -4.694
43 H ILE 17 H ILE 17 42.600 -3.492 0.823
44 H VAL 18 H VAL 18 43.494 -0.941 0.441
45 H ASP 19 H ASP 19 41.397 0.195 -0.812
46 H LEU 20 H LEU 20 39.608 -0.054 1.059
47 H TYR 21 H TYR 21 40.428 1.915 2.843
48 HH TYR 21 HH TYR 21 43.464 8.626 7.199
49 H LYS 22 H LYS 22 39.195 4.377 1.863
50 HZ1 LYS 22 HZ1 LYS 22 37.151 11.270 -2.553
51 HZ2 LYS 22 HZ2 LYS 22 36.378 9.893 -3.151
52 HZ3 LYS 22 HZ3 LYS 22 38.052 9.879 -2.916
53 H SER 23 H SER 23 36.950 3.743 1.609
54 HG SER 23 HG SER 23 35.260 1.534 -0.350
55 H GLY 24 H GLY 24 35.828 3.345 4.297
56 H SER 25 H SER 25 33.418 3.268 7.901
57 HG SER 25 HG SER 25 35.597 -0.226 10.476
58 H SER 26 H SER 26 37.057 2.156 10.666
59 HG SER 26 HG SER 26 37.115 5.522 13.366
60 H LEU 27 H LEU 27 40.505 4.845 10.471
61 H GLY 28 H GLY 28 41.275 3.719 12.734
62 H ALA 29 H ALA 29 39.850 1.393 12.862
63 H ILE 30 H ILE 30 40.531 -0.036 10.893
64 H SER 31 H SER 31 43.120 -0.406 11.296
65 HG SER 31 HG SER 31 46.209 1.341 11.567
66 H LYS 32 H LYS 32 43.094 -1.963 13.530
67 HZ1 LYS 32 HZ1 LYS 32 41.106 -1.499 19.954
68 HZ2 LYS 32 HZ2 LYS 32 40.623 -0.075 19.179
69 HZ3 LYS 32 HZ3 LYS 32 41.803 -0.021 20.389
70 H ARG 33 H ARG 33 42.082 -4.328 12.604
71 HE ARG 33 HE ARG 33 38.699 -5.104 9.437
72 HH11 ARG 33 1HH1 ARG 33 37.094 -4.665 12.640
73 HH12 ARG 33 2HH1 ARG 33 36.516 -3.081 12.270
74 HH21 ARG 33 1HH2 ARG 33 37.884 -2.941 9.009
75 HH22 ARG 33 2HH2 ARG 33 36.944 -2.114 10.199
76 H LEU 34 H LEU 34 43.916 -5.175 10.825
77 H ALA 35 H ALA 35 45.726 -5.549 12.474
78 H VAL 36 H VAL 36 49.129 -6.355 11.222
79 H ARG 38 H ARG 38 51.914 -1.871 9.520
80 HE ARG 38 HE ARG 38 54.904 -5.654 6.255
81 HH11 ARG 38 1HH1 ARG 38 54.503 -4.508 2.847
82 HH12 ARG 38 2HH1 ARG 38 54.947 -6.026 2.164
83 HH21 ARG 38 1HH2 ARG 38 55.584 -7.632 5.273
84 HH22 ARG 38 2HH2 ARG 38 55.601 -7.817 3.554
85 H SER 39 H SER 39 54.898 0.423 7.240
86 HG SER 39 HG SER 39 57.337 2.570 6.260
87 H SER 40 H SER 40 54.210 0.531 4.963
88 HG SER 40 HG SER 40 55.384 -1.033 2.139
89 H VAL 41 H VAL 41 51.374 0.396 4.450
90 H GLN 42 H GLN 42 50.717 2.672 5.467
91 HE21 GLN 42 1HE2 GLN 42 46.984 3.324 8.576
92 HE22 GLN 42 2HE2 GLN 42 48.307 2.304 8.127
93 H THR 43 H THR 43 51.857 4.508 3.832
94 HG1 THR 43 HG1 THR 43 53.815 5.135 3.857
95 H ILE 44 H ILE 44 50.567 4.124 1.522
96 H VAL 45 H VAL 45 47.985 4.782 2.186
97 H ARG 46 H ARG 46 48.271 7.441 2.578
98 HE ARG 46 HE ARG 46 51.291 9.071 6.523
99 HH11 ARG 46 1HH1 ARG 46 49.083 11.898 6.160
100 HH12 ARG 46 2HH1 ARG 46 48.880 12.110 7.859
101 HH21 ARG 46 1HH2 ARG 46 51.018 9.429 8.797
102 HH22 ARG 46 2HH2 ARG 46 49.940 10.646 9.375
103 H LYS 47 H LYS 47 48.593 8.456 0.080
104 HZ1 LYS 47 HZ1 LYS 47 53.522 6.502 -2.621
105 HZ2 LYS 47 HZ2 LYS 47 54.794 7.603 -2.506
106 HZ3 LYS 47 HZ3 LYS 47 53.857 7.545 -3.909
107 H TYR 48 H TYR 48 46.319 7.869 -1.060
108 HH TYR 48 HH TYR 48 38.447 5.249 -2.873
109 H LYS 49 H LYS 49 44.654 9.495 0.342
110 HZ1 LYS 49 HZ1 LYS 49 44.108 13.847 6.376
111 HZ2 LYS 49 HZ2 LYS 49 43.375 12.384 6.812
112 HZ3 LYS 49 HZ3 LYS 49 42.569 13.849 7.076
113 H HIS 50 H HIS 50 45.462 11.884 -0.411
114 H HIS 51 H HIS 51 44.541 11.779 -2.908
115 H GLY 52 H GLY 52 41.983 12.537 -2.458
116 H THR 53 H THR 53 41.921 15.048 -2.287
117 HG1 THR 53 HG1 THR 53 42.440 17.318 0.196
118 H THR 54 H THR 54 43.206 16.176 -4.175
119 HG1 THR 54 HG1 THR 54 43.549 19.293 -4.426
120 H GLN 55 H GLN 55 42.196 15.617 -7.860
121 HE21 GLN 55 1HE2 GLN 55 40.529 9.547 -9.351
122 HE22 GLN 55 2HE2 GLN 55 41.797 9.867 -8.219
123 H HIS 56 H HIS 56 43.120 15.766 -10.124
124 H HIS 57 H HIS 57 46.439 17.264 -12.588
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 58.219 -3.782 -20.119
2 H2 ALA 1 H2 ALA 1 57.027 -3.996 -21.304
3 H3 ALA 1 H3 ALA 1 57.887 -5.332 -20.715
4 H SER 2 H SER 2 55.614 -5.158 -17.044
5 HG SER 2 HG SER 2 56.479 -5.486 -13.558
6 H MET 3 H MET 3 57.646 -9.159 -17.002
7 H GLY 4 H GLY 4 58.166 -10.527 -15.906
8 H LYS 5 H LYS 5 58.957 -10.947 -12.907
9 HZ1 LYS 5 HZ1 LYS 5 59.431 -9.723 -5.680
10 HZ2 LYS 5 HZ2 LYS 5 58.515 -10.806 -4.759
11 HZ3 LYS 5 HZ3 LYS 5 58.130 -9.161 -4.760
12 H SER 6 H SER 6 54.928 -10.813 -12.195
13 HG SER 6 HG SER 6 52.916 -7.866 -14.820
14 H LYS 7 H LYS 7 53.102 -9.902 -10.674
15 HZ1 LYS 7 HZ1 LYS 7 50.787 -2.383 -10.985
16 HZ2 LYS 7 HZ2 LYS 7 51.801 -3.195 -9.898
17 HZ3 LYS 7 HZ3 LYS 7 50.164 -2.987 -9.530
18 H GLU 8 H GLU 8 52.354 -7.521 -7.012
19 H ILE 9 H ILE 9 51.420 -10.756 -3.912
20 H SER 10 H SER 10 50.404 -9.538 -2.093
21 HG SER 10 HG SER 10 51.810 -7.083 -0.219
22 H GLN 11 H GLN 11 49.133 -7.230 -3.289
23 HE21 GLN 11 1HE2 GLN 11 48.907 -2.378 -8.146
24 HE22 GLN 11 2HE2 GLN 11 48.166 -1.844 -6.675
25 H ASP 12 H ASP 12 46.293 -7.516 -3.700
26 H LEU 13 H LEU 13 45.227 -7.723 -1.302
27 H ARG 14 H ARG 14 46.031 -5.452 -0.155
28 HE ARG 14 HE ARG 14 49.629 -4.883 3.144
29 HH11 ARG 14 1HH1 ARG 14 51.983 -3.218 0.977
30 HH12 ARG 14 2HH1 ARG 14 53.360 -3.766 1.863
31 HH21 ARG 14 1HH2 ARG 14 51.527 -5.582 4.298
32 HH22 ARG 14 2HH2 ARG 14 53.099 -5.110 3.766
33 H LYS 15 H LYS 15 44.629 -3.664 -1.707
34 HZ1 LYS 15 HZ1 LYS 15 44.355 -1.374 -8.185
35 HZ2 LYS 15 HZ2 LYS 15 45.533 -2.586 -8.087
36 HZ3 LYS 15 HZ3 LYS 15 45.984 -0.991 -8.425
37 H ARG 16 H ARG 16 42.068 -4.051 -0.874
38 HE ARG 16 HE ARG 16 40.232 -8.143 -2.677
39 HH11 ARG 16 1HH1 ARG 16 37.008 -6.634 -2.098
40 HH12 ARG 16 2HH1 ARG 16 36.451 -6.944 -3.702
41 HH21 ARG 16 1HH2 ARG 16 39.469 -8.494 -4.793
42 HH22 ARG 16 2HH2 ARG 16 37.863 -8.051 -5.255
43 H ILE 17 H ILE 17 42.149 -3.111 1.588
44 H VAL 18 H VAL 18 42.669 -0.538 1.260
45 H ASP 19 H ASP 19 40.329 0.182 0.220
46 H LEU 20 H LEU 20 38.736 0.059 2.320
47 H TYR 21 H TYR 21 39.747 2.032 3.775
48 HH TYR 21 HH TYR 21 43.499 8.857 7.374
49 H LYS 22 H LYS 22 39.034 4.276 2.315
50 HZ1 LYS 22 HZ1 LYS 22 41.371 6.045 -4.065
51 HZ2 LYS 22 HZ2 LYS 22 40.469 7.485 -4.029
52 HZ3 LYS 22 HZ3 LYS 22 39.698 5.995 -3.848
53 H SER 23 H SER 23 36.425 4.047 2.719
54 HG SER 23 HG SER 23 35.004 2.593 1.551
55 H GLY 24 H GLY 24 36.260 5.254 5.166
56 H SER 25 H SER 25 35.819 3.230 6.660
57 HG SER 25 HG SER 25 36.244 -0.540 9.057
58 H SER 26 H SER 26 37.936 4.414 9.691
59 HG SER 26 HG SER 26 39.368 7.240 8.121
60 H LEU 27 H LEU 27 40.138 4.773 11.497
61 H GLY 28 H GLY 28 39.099 2.740 12.336
62 H ALA 29 H ALA 29 39.920 0.809 10.803
63 H ILE 30 H ILE 30 42.012 0.537 9.819
64 H SER 31 H SER 31 43.536 0.374 12.221
65 HG SER 31 HG SER 31 44.478 2.173 13.875
66 H LYS 32 H LYS 32 42.412 -1.876 13.240
67 HZ1 LYS 32 HZ1 LYS 32 36.601 -2.355 16.045
68 HZ2 LYS 32 HZ2 LYS 32 36.584 -1.324 17.387
69 HZ3 LYS 32 HZ3 LYS 32 36.792 -2.987 17.602
70 H ARG 33 H ARG 33 42.213 -3.987 11.707
71 HE ARG 33 HE ARG 33 41.778 -8.099 6.649
72 HH11 ARG 33 1HH1 ARG 33 39.724 -5.280 5.702
73 HH12 ARG 33 2HH1 ARG 33 39.194 -6.011 4.232
74 HH21 ARG 33 1HH2 ARG 33 41.013 -9.030 4.659
75 HH22 ARG 33 2HH2 ARG 33 39.973 -8.143 3.609
76 H LEU 34 H LEU 34 44.691 -4.080 10.458
77 H ALA 35 H ALA 35 46.596 -3.221 11.757
78 H VAL 36 H VAL 36 49.732 -5.406 12.419
79 H ARG 38 H ARG 38 51.779 -1.371 10.537
80 HE ARG 38 HE ARG 38 48.472 4.163 11.569
81 HH11 ARG 38 1HH1 ARG 38 48.047 2.720 14.840
82 HH12 ARG 38 2HH1 ARG 38 47.229 4.101 15.475
83 HH21 ARG 38 1HH2 ARG 38 47.322 5.980 12.461
84 HH22 ARG 38 2HH2 ARG 38 46.790 5.964 14.101
85 H SER 39 H SER 39 53.380 0.483 9.499
86 HG SER 39 HG SER 39 56.416 1.969 10.138
87 H SER 40 H SER 40 53.632 -0.033 6.749
88 HG SER 40 HG SER 40 52.978 -2.637 4.625
89 H VAL 41 H VAL 41 51.205 0.276 5.984
90 H GLN 42 H GLN 42 50.910 2.916 6.473
91 HE21 GLN 42 1HE2 GLN 42 51.149 6.109 11.593
92 HE22 GLN 42 2HE2 GLN 42 49.713 5.448 10.888
93 H THR 43 H THR 43 52.319 4.042 4.469
94 HG1 THR 43 HG1 THR 43 55.339 4.018 3.538
95 H ILE 44 H ILE 44 50.874 3.386 2.302
96 H VAL 45 H VAL 45 48.592 4.650 2.800
97 H ARG 46 H ARG 46 49.306 7.294 2.492
98 HE ARG 46 HE ARG 46 53.417 9.133 3.236
99 HH11 ARG 46 1HH1 ARG 46 51.746 9.485 6.415
100 HH12 ARG 46 2HH1 ARG 46 52.599 8.176 7.146
101 HH21 ARG 46 1HH2 ARG 46 54.494 7.320 4.278
102 HH22 ARG 46 2HH2 ARG 46 54.188 6.969 5.940
103 H LYS 47 H LYS 47 49.471 7.451 -0.257
104 HZ1 LYS 47 HZ1 LYS 47 53.963 3.811 -2.754
105 HZ2 LYS 47 HZ2 LYS 47 54.622 4.568 -4.117
106 HZ3 LYS 47 HZ3 LYS 47 53.042 3.965 -4.165
107 H TYR 48 H TYR 48 47.070 6.903 -0.992
108 HH TYR 48 HH TYR 48 46.023 1.705 -5.390
109 H LYS 49 H LYS 49 45.945 9.223 -0.110
110 HZ1 LYS 49 HZ1 LYS 49 47.566 11.524 5.570
111 HZ2 LYS 49 HZ2 LYS 49 46.506 11.032 6.793
112 HZ3 LYS 49 HZ3 LYS 49 46.222 12.477 5.959
113 H HIS 50 H HIS 50 46.301 11.012 -1.850
114 H HIS 51 H HIS 51 45.047 9.903 -3.887
115 H GLY 52 H GLY 52 42.573 10.353 -2.917
116 H THR 53 H THR 53 41.920 12.742 -3.441
117 HG1 THR 53 HG1 THR 53 42.379 14.331 -2.041
118 H THR 54 H THR 54 42.204 13.296 -5.938
119 HG1 THR 54 HG1 THR 54 42.091 16.126 -6.991
120 H GLN 55 H GLN 55 39.844 11.779 -8.648
121 HE21 GLN 55 1HE2 GLN 55 42.672 5.813 -8.797
122 HE22 GLN 55 2HE2 GLN 55 42.182 6.449 -10.330
123 H HIS 56 H HIS 56 43.174 9.032 -10.132
124 H HIS 57 H HIS 57 42.811 9.136 -14.569
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 59.555 -2.729 -19.038
2 H2 ALA 1 H2 ALA 1 59.607 -4.333 -19.590
3 H3 ALA 1 H3 ALA 1 60.194 -3.952 -18.051
4 H SER 2 H SER 2 56.401 -4.663 -16.407
5 HG SER 2 HG SER 2 55.520 -6.971 -12.760
6 H MET 3 H MET 3 58.285 -8.581 -16.310
7 H GLY 4 H GLY 4 58.679 -10.117 -15.424
8 H LYS 5 H LYS 5 58.904 -11.110 -12.524
9 HZ1 LYS 5 HZ1 LYS 5 56.212 -12.053 -4.483
10 HZ2 LYS 5 HZ2 LYS 5 56.586 -10.452 -4.893
11 HZ3 LYS 5 HZ3 LYS 5 57.724 -11.680 -5.150
12 H SER 6 H SER 6 54.837 -11.617 -12.480
13 HG SER 6 HG SER 6 53.209 -10.863 -15.533
14 H LYS 7 H LYS 7 52.903 -10.625 -10.686
15 HZ1 LYS 7 HZ1 LYS 7 45.762 -5.829 -8.996
16 HZ2 LYS 7 HZ2 LYS 7 45.521 -7.386 -8.391
17 HZ3 LYS 7 HZ3 LYS 7 45.988 -7.164 -10.007
18 H GLU 8 H GLU 8 52.056 -7.850 -7.400
19 H ILE 9 H ILE 9 51.424 -10.714 -3.869
20 H SER 10 H SER 10 50.467 -9.418 -2.153
21 HG SER 10 HG SER 10 51.999 -6.865 -0.734
22 H GLN 11 H GLN 11 49.218 -7.079 -3.474
23 HE21 GLN 11 1HE2 GLN 11 51.340 -2.415 -3.269
24 HE22 GLN 11 2HE2 GLN 11 51.747 -4.073 -3.567
25 H ASP 12 H ASP 12 46.273 -7.419 -4.028
26 H LEU 13 H LEU 13 45.163 -7.655 -1.620
27 H ARG 14 H ARG 14 45.906 -5.514 -0.381
28 HE ARG 14 HE ARG 14 49.591 -4.676 3.160
29 HH11 ARG 14 1HH1 ARG 14 51.872 -3.249 0.753
30 HH12 ARG 14 2HH1 ARG 14 53.270 -3.605 1.698
31 HH21 ARG 14 1HH2 ARG 14 51.517 -5.149 4.370
32 HH22 ARG 14 2HH2 ARG 14 53.067 -4.682 3.773
33 H LYS 15 H LYS 15 44.623 -3.663 -1.838
34 HZ1 LYS 15 HZ1 LYS 15 45.409 -0.627 -7.981
35 HZ2 LYS 15 HZ2 LYS 15 46.164 -2.140 -7.912
36 HZ3 LYS 15 HZ3 LYS 15 47.096 -0.727 -7.916
37 H ARG 16 H ARG 16 42.056 -4.031 -1.051
38 HE ARG 16 HE ARG 16 39.199 -7.381 -3.006
39 HH11 ARG 16 1HH1 ARG 16 38.493 -9.398 -0.095
40 HH12 ARG 16 2HH1 ARG 16 38.105 -10.801 -1.021
41 HH21 ARG 16 1HH2 ARG 16 38.728 -9.316 -4.188
42 HH22 ARG 16 2HH2 ARG 16 38.246 -10.758 -3.370
43 H ILE 17 H ILE 17 42.124 -3.170 1.450
44 H VAL 18 H VAL 18 42.691 -0.599 1.164
45 H ASP 19 H ASP 19 40.391 0.210 0.062
46 H LEU 20 H LEU 20 38.781 0.073 2.173
47 H TYR 21 H TYR 21 39.785 1.989 3.656
48 HH TYR 21 HH TYR 21 43.815 8.227 7.890
49 H LYS 22 H LYS 22 39.111 4.238 2.286
50 HZ1 LYS 22 HZ1 LYS 22 39.654 4.837 -3.816
51 HZ2 LYS 22 HZ2 LYS 22 41.325 4.657 -3.977
52 HZ3 LYS 22 HZ3 LYS 22 40.593 6.144 -4.329
53 H SER 23 H SER 23 36.456 4.032 2.689
54 HG SER 23 HG SER 23 33.800 2.048 1.668
55 H GLY 24 H GLY 24 36.322 5.032 5.210
56 H SER 25 H SER 25 35.854 3.120 6.621
57 HG SER 25 HG SER 25 34.327 0.078 7.927
58 H SER 26 H SER 26 37.936 4.300 9.567
59 HG SER 26 HG SER 26 39.572 7.033 7.715
60 H LEU 27 H LEU 27 40.416 4.857 11.301
61 H GLY 28 H GLY 28 39.330 2.921 12.403
62 H ALA 29 H ALA 29 39.847 0.824 10.915
63 H ILE 30 H ILE 30 41.980 0.435 9.997
64 H SER 31 H SER 31 43.542 0.344 12.306
65 HG SER 31 HG SER 31 44.929 2.217 14.906
66 H LYS 32 H LYS 32 42.483 -1.893 13.408
67 HZ1 LYS 32 HZ1 LYS 32 37.753 -1.951 18.451
68 HZ2 LYS 32 HZ2 LYS 32 37.620 -0.739 17.275
69 HZ3 LYS 32 HZ3 LYS 32 38.193 -0.360 18.820
70 H ARG 33 H ARG 33 42.353 -4.016 11.918
71 HE ARG 33 HE ARG 33 41.042 -7.387 8.048
72 HH11 ARG 33 1HH1 ARG 33 39.070 -4.710 6.684
73 HH12 ARG 33 2HH1 ARG 33 39.272 -5.219 5.049
74 HH21 ARG 33 1HH2 ARG 33 41.340 -8.005 5.804
75 HH22 ARG 33 2HH2 ARG 33 40.609 -7.084 4.541
76 H LEU 34 H LEU 34 44.749 -4.179 10.566
77 H ALA 35 H ALA 35 46.601 -3.271 12.009
78 H VAL 36 H VAL 36 49.890 -5.271 12.693
79 H ARG 38 H ARG 38 51.538 -1.107 10.753
80 HE ARG 38 HE ARG 38 48.308 2.934 11.845
81 HH11 ARG 38 1HH1 ARG 38 47.927 2.137 15.339
82 HH12 ARG 38 2HH1 ARG 38 47.460 3.739 15.775
83 HH21 ARG 38 1HH2 ARG 38 47.808 5.103 12.510
84 HH22 ARG 38 2HH2 ARG 38 47.458 5.457 14.163
85 H SER 39 H SER 39 53.168 0.682 9.671
86 HG SER 39 HG SER 39 56.157 2.248 10.439
87 H SER 40 H SER 40 53.594 0.088 7.054
88 HG SER 40 HG SER 40 54.757 -1.937 5.964
89 H VAL 41 H VAL 41 51.133 0.270 6.113
90 H GLN 42 H GLN 42 50.651 2.951 6.525
91 HE21 GLN 42 1HE2 GLN 42 46.120 5.074 7.819
92 HE22 GLN 42 2HE2 GLN 42 47.247 3.883 8.374
93 H THR 43 H THR 43 52.198 4.000 4.501
94 HG1 THR 43 HG1 THR 43 54.297 4.137 4.545
95 H ILE 44 H ILE 44 50.889 3.461 2.278
96 H VAL 45 H VAL 45 48.682 4.566 2.625
97 H ARG 46 H ARG 46 49.316 7.309 2.406
98 HE ARG 46 HE ARG 46 53.240 10.076 2.285
99 HH11 ARG 46 1HH1 ARG 46 52.626 9.240 5.738
100 HH12 ARG 46 2HH1 ARG 46 53.887 8.064 5.799
101 HH21 ARG 46 1HH2 ARG 46 54.919 8.504 2.421
102 HH22 ARG 46 2HH2 ARG 46 55.242 7.674 3.900
103 H LYS 47 H LYS 47 49.505 7.619 -0.323
104 HZ1 LYS 47 HZ1 LYS 47 54.361 4.926 -3.305
105 HZ2 LYS 47 HZ2 LYS 47 55.433 6.073 -3.933
106 HZ3 LYS 47 HZ3 LYS 47 54.070 5.617 -4.821
107 H TYR 48 H TYR 48 47.166 6.918 -1.126
108 HH TYR 48 HH TYR 48 45.461 2.433 -6.469
109 H LYS 49 H LYS 49 45.874 9.095 -0.145
110 HZ1 LYS 49 HZ1 LYS 49 44.997 11.840 6.298
111 HZ2 LYS 49 HZ2 LYS 49 46.582 11.359 5.941
112 HZ3 LYS 49 HZ3 LYS 49 45.607 10.400 6.942
113 H HIS 50 H HIS 50 46.232 11.017 -1.762
114 H HIS 51 H HIS 51 45.039 10.005 -3.884
115 H GLY 52 H GLY 52 42.540 10.309 -2.942
116 H THR 53 H THR 53 41.911 12.730 -3.416
117 HG1 THR 53 HG1 THR 53 42.945 15.460 -2.074
118 H THR 54 H THR 54 42.177 13.405 -5.934
119 HG1 THR 54 HG1 THR 54 41.781 16.950 -8.129
120 H GLN 55 H GLN 55 40.047 11.669 -8.582
121 HE21 GLN 55 1HE2 GLN 55 43.794 6.325 -8.876
122 HE22 GLN 55 2HE2 GLN 55 43.226 6.976 -10.374
123 H HIS 56 H HIS 56 43.729 9.568 -10.201
124 H HIS 57 H HIS 57 42.900 9.666 -14.559