Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1450 | 1ale RC | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 150 H/Q atoms
Start of MODEL 1
1 1H ALA 1 1H ALA 1 10.228 6.675 -6.503
2 2H ALA 1 2H ALA 1 11.789 6.592 -7.123
3 3H ALA 1 3H ALA 1 10.918 5.180 -6.846
4 HA ALA 1 HA ALA 1 12.201 5.125 -5.034
5 1HB ALA 1 2HB ALA 1 13.427 7.234 -5.702
6 2HB ALA 1 3HB ALA 1 12.084 8.233 -5.097
7 3HB ALA 1 1HB ALA 1 13.063 7.269 -3.966
8 H LEU 2 H LEU 2 11.952 5.860 -2.696
9 HA LEU 2 HA LEU 2 10.484 5.424 -0.879
10 1HB LEU 2 1HB LEU 2 8.553 7.367 -2.307
11 2HB LEU 2 2HB LEU 2 8.608 7.017 -0.591
12 HG LEU 2 HG LEU 2 11.229 8.038 -1.359
13 1HD1 LEU 2 3HD2 LEU 2 9.933 9.076 -3.331
14 2HD1 LEU 2 1HD2 LEU 2 8.940 9.960 -2.168
15 3HD1 LEU 2 2HD2 LEU 2 10.695 10.274 -2.256
16 1HD2 LEU 2 2HD1 LEU 2 10.104 8.152 0.923
17 2HD2 LEU 2 3HD1 LEU 2 10.697 9.742 0.382
18 3HD2 LEU 2 1HD1 LEU 2 8.963 9.351 0.287
19 H ASP 3 H ASP 3 10.480 3.611 -2.841
20 HA ASP 3 HA ASP 3 7.623 3.025 -3.546
21 1HB ASP 3 1HB ASP 3 9.909 2.517 -4.960
22 2HB ASP 3 2HB ASP 3 9.940 1.051 -4.006
23 H LYS 4 H LYS 4 9.703 2.311 -0.977
24 HA LYS 4 HA LYS 4 8.380 -0.295 -0.286
25 1HB LYS 4 1HB LYS 4 10.516 1.526 0.896
26 2HB LYS 4 2HB LYS 4 9.625 0.555 2.060
27 1HG LYS 4 1HG LYS 4 10.713 -0.865 -0.438
28 2HG LYS 4 2HG LYS 4 11.880 -0.343 0.775
29 1HD LYS 4 1HD LYS 4 9.939 -1.657 2.329
30 2HD LYS 4 2HD LYS 4 9.836 -2.550 0.799
31 1HE LYS 4 1HE LYS 4 12.498 -1.972 2.291
32 2HE LYS 4 2HE LYS 4 11.630 -3.513 2.377
33 1HZ LYS 4 1HZ LYS 4 11.714 -3.372 -0.198
34 2HZ LYS 4 2HZ LYS 4 12.980 -2.297 0.061
35 3HZ LYS 4 3HZ LYS 4 13.074 -3.865 0.659
36 H LEU 5 H LEU 5 8.058 3.088 0.463
37 HA LEU 5 HA LEU 5 6.013 2.513 2.600
38 1HB LEU 5 1HB LEU 5 7.318 5.002 1.415
39 2HB LEU 5 2HB LEU 5 5.733 5.214 2.133
40 HG LEU 5 HG LEU 5 7.239 5.802 3.850
41 1HD1 LEU 5 2HD1 LEU 5 5.444 4.245 4.665
42 2HD1 LEU 5 3HD1 LEU 5 6.513 2.844 4.409
43 3HD1 LEU 5 1HD1 LEU 5 6.921 4.072 5.632
44 1HD2 LEU 5 2HD2 LEU 5 8.900 3.256 3.238
45 2HD2 LEU 5 3HD2 LEU 5 9.379 4.943 2.929
46 3HD2 LEU 5 1HD2 LEU 5 9.208 4.376 4.594
47 H LYS 6 H LYS 6 6.085 3.579 -0.734
48 HA LYS 6 HA LYS 6 3.195 4.238 -0.761
49 1HB LYS 6 1HB LYS 6 5.140 3.611 -3.098
50 2HB LYS 6 2HB LYS 6 3.541 4.317 -3.300
51 1HG LYS 6 1HG LYS 6 4.213 6.432 -2.371
52 2HG LYS 6 2HG LYS 6 5.487 5.717 -1.386
53 1HD LYS 6 1HD LYS 6 6.966 6.394 -2.987
54 2HD LYS 6 2HD LYS 6 6.249 5.229 -4.118
55 1HE LYS 6 1HE LYS 6 4.457 7.583 -3.842
56 2HE LYS 6 2HE LYS 6 6.082 8.122 -4.294
57 1HZ LYS 6 3HZ LYS 6 5.893 6.061 -5.913
58 2HZ LYS 6 1HZ LYS 6 4.249 6.378 -5.759
59 3HZ LYS 6 2HZ LYS 6 5.287 7.576 -6.319
60 H GLU 7 H GLU 7 5.123 1.458 -1.692
61 HA GLU 7 HA GLU 7 2.816 -0.144 -2.637
62 1HB GLU 7 1HB GLU 7 5.691 -0.654 -1.774
63 2HB GLU 7 2HB GLU 7 4.625 -2.037 -1.734
64 1HG GLU 7 1HG GLU 7 5.232 -0.314 -4.242
65 2HG GLU 7 2HG GLU 7 5.939 -1.874 -3.903
66 H PHE 8 H PHE 8 4.029 0.730 0.476
67 HA PHE 8 HA PHE 8 2.837 -1.564 1.922
68 1HB PHE 8 1HB PHE 8 4.707 -0.027 2.814
69 2HB PHE 8 2HB PHE 8 3.562 1.278 2.939
70 HD1 PHE 8 HD1 PHE 8 1.512 0.978 4.527
71 HD2 PHE 8 HD2 PHE 8 5.015 -1.506 4.698
72 HE1 PHE 8 HE1 PHE 8 0.952 0.348 6.837
73 HE2 PHE 8 HE2 PHE 8 4.463 -2.109 7.023
74 HZ PHE 8 HZ PHE 8 2.437 -1.178 8.101
75 H GLY 9 H GLY 9 1.846 1.747 1.241
76 1HA GLY 9 1HA GLY 9 -0.729 1.578 2.679
77 2HA GLY 9 2HA GLY 9 -0.335 2.767 1.421
78 H ASN 10 H ASN 10 0.341 0.382 -0.395
79 HA ASN 10 HA ASN 10 -2.428 0.011 -1.448
80 1HB ASN 10 1HB ASN 10 -0.257 0.158 -2.855
81 2HB ASN 10 2HB ASN 10 0.232 -1.402 -2.240
82 1HD2 ASN 10 1HD2 ASN 10 -3.066 -1.855 -4.558
83 2HD2 ASN 10 2HD2 ASN 10 -3.152 -0.806 -3.039
84 H THR 11 H THR 11 -0.367 -1.710 0.706
85 HA THR 11 HA THR 11 -1.975 -4.232 0.571
86 HB THR 11 HB THR 11 0.225 -3.088 2.344
87 HG1 THR 11 HG1 THR 11 1.100 -5.118 1.892
88 1HG2 THR 11 3HG2 THR 11 -1.408 -5.578 3.226
89 2HG2 THR 11 1HG2 THR 11 0.138 -5.050 3.934
90 3HG2 THR 11 2HG2 THR 11 -1.298 -4.048 4.130
91 H LEU 12 H LEU 12 -1.697 -1.533 2.839
92 HA LEU 12 HA LEU 12 -3.914 -2.223 4.545
93 1HB LEU 12 1HB LEU 12 -2.341 -0.274 4.928
94 2HB LEU 12 2HB LEU 12 -3.022 0.566 3.551
95 HG LEU 12 HG LEU 12 -4.885 -0.179 5.847
96 1HD1 LEU 12 3HD2 LEU 12 -2.792 0.901 6.894
97 2HD1 LEU 12 1HD2 LEU 12 -3.096 2.346 5.925
98 3HD1 LEU 12 2HD2 LEU 12 -4.289 1.831 7.149
99 1HD2 LEU 12 2HD1 LEU 12 -5.756 0.876 3.701
100 2HD2 LEU 12 3HD1 LEU 12 -6.063 1.896 5.128
101 3HD2 LEU 12 1HD1 LEU 12 -4.742 2.298 4.004
102 H GLU 13 H GLU 13 -3.990 -0.464 1.490
103 HA GLU 13 HA GLU 13 -6.896 0.060 1.617
104 1HB GLU 13 1HB GLU 13 -4.811 -0.045 -0.646
105 2HB GLU 13 2HB GLU 13 -6.497 0.221 -1.018
106 1HG GLU 13 1HG GLU 13 -6.445 2.448 -0.322
107 2HG GLU 13 2HG GLU 13 -5.488 2.115 1.100
108 H ASP 14 H ASP 14 -5.003 -2.248 -0.296
109 HA ASP 14 HA ASP 14 -7.102 -3.923 -1.212
110 1HB ASP 14 1HB ASP 14 -4.185 -4.337 -0.560
111 2HB ASP 14 2HB ASP 14 -5.148 -5.801 -0.468
112 H LYS 15 H LYS 15 -6.048 -3.534 2.050
113 HA LYS 15 HA LYS 15 -7.090 -5.994 3.163
114 1HB LYS 15 1HB LYS 15 -6.428 -3.245 4.166
115 2HB LYS 15 2HB LYS 15 -7.734 -3.980 5.085
116 1HG LYS 15 1HG LYS 15 -5.569 -5.974 4.648
117 2HG LYS 15 2HG LYS 15 -4.889 -4.487 5.306
118 1HD LYS 15 1HD LYS 15 -6.964 -4.770 7.047
119 2HD LYS 15 2HD LYS 15 -6.895 -6.456 6.499
120 1HE LYS 15 1HE LYS 15 -4.224 -5.129 7.176
121 2HE LYS 15 2HE LYS 15 -5.275 -5.535 8.541
122 1HZ LYS 15 3HZ LYS 15 -5.021 -7.591 6.488
123 2HZ LYS 15 1HZ LYS 15 -3.648 -7.280 7.408
124 3HZ LYS 15 2HZ LYS 15 -5.081 -7.730 8.163
125 H ALA 16 H ALA 16 -8.750 -2.876 2.763
126 HA ALA 16 HA ALA 16 -11.345 -4.450 2.573
127 1HB ALA 16 2HB ALA 16 -11.068 -3.844 5.018
128 2HB ALA 16 3HB ALA 16 -10.866 -2.128 4.593
129 3HB ALA 16 1HB ALA 16 -12.426 -2.941 4.321
130 NH1 ARG 17 NH2 ARG 17 -10.005 0.052 -6.398
131 NH2 ARG 17 NH1 ARG 17 -8.717 1.831 -6.083
132 H ARG 17 H ARG 17 -9.894 -3.326 0.581
133 HA ARG 17 HA ARG 17 -11.492 -0.851 -0.127
134 1HB ARG 17 1HB ARG 17 -9.090 -0.860 -0.786
135 2HB ARG 17 2HB ARG 17 -9.260 -2.383 -1.639
136 1HG ARG 17 1HG ARG 17 -11.135 -0.883 -3.056
137 2HG ARG 17 2HG ARG 17 -10.102 0.425 -2.488
138 1HD ARG 17 1HD ARG 17 -8.224 -1.500 -3.400
139 2HD ARG 17 2HD ARG 17 -9.577 -1.679 -4.547
140 HE ARG 17 HE ARG 17 -8.060 0.891 -3.973
141 1HH1 ARG 17 2HH2 ARG 17 -10.304 -0.831 -5.985
142 2HH1 ARG 17 1HH2 ARG 17 -10.265 0.477 -7.286
143 1HH2 ARG 17 1HH1 ARG 17 -8.064 2.260 -5.425
144 2HH2 ARG 17 2HH1 ARG 17 -9.049 2.161 -6.987
145 H GLU 18 H GLU 18 -11.081 -4.194 -1.112
146 HA GLU 18 HA GLU 18 -12.217 -5.424 -2.830
147 1HB GLU 18 1HB GLU 18 -14.899 -5.033 -2.353
148 2HB GLU 18 2HB GLU 18 -13.874 -6.057 -1.377
149 1HG GLU 18 2HG GLU 18 -14.861 -4.847 0.361
150 2HG GLU 18 1HG GLU 18 -13.518 -3.769 0.084
Start of MODEL 2
Raw file had 150 H/Q atoms
Start of MODEL 2
1 1H ALA 1 3H ALA 1 10.077 7.414 -6.379
2 2H ALA 1 1H ALA 1 11.597 7.209 -7.069
3 3H ALA 1 2H ALA 1 10.575 5.887 -6.878
4 HA ALA 1 HA ALA 1 11.995 5.568 -5.166
5 1HB ALA 1 2HB ALA 1 13.249 7.724 -5.592
6 2HB ALA 1 3HB ALA 1 11.943 8.661 -4.827
7 3HB ALA 1 1HB ALA 1 12.929 7.541 -3.856
8 H LEU 2 H LEU 2 11.824 6.037 -2.740
9 HA LEU 2 HA LEU 2 10.399 5.409 -0.944
10 1HB LEU 2 1HB LEU 2 8.449 7.508 -2.100
11 2HB LEU 2 2HB LEU 2 8.532 6.961 -0.438
12 HG LEU 2 HG LEU 2 11.146 8.058 -1.157
13 1HD1 LEU 2 2HD1 LEU 2 9.916 9.285 -2.973
14 2HD1 LEU 2 3HD1 LEU 2 8.766 9.941 -1.783
15 3HD1 LEU 2 1HD1 LEU 2 10.483 10.405 -1.721
16 1HD2 LEU 2 2HD2 LEU 2 8.932 9.082 0.761
17 2HD2 LEU 2 3HD2 LEU 2 10.303 8.025 1.180
18 3HD2 LEU 2 1HD2 LEU 2 10.606 9.700 0.706
19 H ASP 3 H ASP 3 10.350 3.810 -3.073
20 HA ASP 3 HA ASP 3 7.462 3.252 -3.701
21 1HB ASP 3 1HB ASP 3 10.027 2.698 -5.002
22 2HB ASP 3 2HB ASP 3 9.320 1.142 -4.632
23 H LYS 4 H LYS 4 9.695 2.320 -1.345
24 HA LYS 4 HA LYS 4 8.358 -0.312 -0.784
25 1HB LYS 4 1HB LYS 4 10.585 1.362 0.409
26 2HB LYS 4 2HB LYS 4 9.681 0.421 1.587
27 1HG LYS 4 1HG LYS 4 10.306 -1.276 -0.772
28 2HG LYS 4 2HG LYS 4 11.776 -0.486 -0.204
29 1HD LYS 4 1HD LYS 4 11.767 -2.470 1.050
30 2HD LYS 4 2HD LYS 4 10.944 -1.391 2.193
31 1HE LYS 4 1HE LYS 4 8.820 -2.357 1.845
32 2HE LYS 4 2HE LYS 4 9.124 -2.717 0.139
33 1HZ LYS 4 3HZ LYS 4 10.772 -4.134 2.103
34 2HZ LYS 4 1HZ LYS 4 9.155 -4.580 1.974
35 3HZ LYS 4 2HZ LYS 4 10.159 -4.655 0.626
36 H LEU 5 H LEU 5 8.124 3.016 0.212
37 HA LEU 5 HA LEU 5 6.114 2.390 2.343
38 1HB LEU 5 1HB LEU 5 7.370 4.878 1.150
39 2HB LEU 5 2HB LEU 5 5.743 5.097 1.764
40 HG LEU 5 HG LEU 5 7.121 5.756 3.554
41 1HD1 LEU 5 2HD1 LEU 5 5.320 4.173 4.307
42 2HD1 LEU 5 3HD1 LEU 5 6.436 2.794 4.152
43 3HD1 LEU 5 1HD1 LEU 5 6.740 4.064 5.362
44 1HD2 LEU 5 2HD2 LEU 5 8.876 3.238 3.110
45 2HD2 LEU 5 3HD2 LEU 5 9.331 4.929 2.783
46 3HD2 LEU 5 1HD2 LEU 5 9.076 4.400 4.450
47 H LYS 6 H LYS 6 6.065 3.376 -1.008
48 HA LYS 6 HA LYS 6 3.157 3.944 -0.997
49 1HB LYS 6 1HB LYS 6 5.060 3.254 -3.351
50 2HB LYS 6 2HB LYS 6 3.440 3.910 -3.543
51 1HG LYS 6 1HG LYS 6 4.085 6.086 -2.749
52 2HG LYS 6 2HG LYS 6 5.391 5.453 -1.750
53 1HD LYS 6 1HD LYS 6 6.814 6.110 -3.412
54 2HD LYS 6 2HD LYS 6 6.144 4.833 -4.446
55 1HE LYS 6 1HE LYS 6 4.466 6.303 -5.426
56 2HE LYS 6 2HE LYS 6 4.644 7.524 -4.156
57 1HZ LYS 6 3HZ LYS 6 7.091 7.597 -4.968
58 2HZ LYS 6 1HZ LYS 6 6.480 6.905 -6.373
59 3HZ LYS 6 2HZ LYS 6 5.895 8.390 -5.844
60 H GLU 7 H GLU 7 5.146 1.178 -1.826
61 HA GLU 7 HA GLU 7 2.911 -0.543 -2.697
62 1HB GLU 7 1HB GLU 7 5.732 -1.021 -1.580
63 2HB GLU 7 2HB GLU 7 4.660 -2.384 -1.789
64 1HG GLU 7 1HG GLU 7 5.288 -0.489 -4.152
65 2HG GLU 7 2HG GLU 7 6.391 -1.773 -3.727
66 H PHE 8 H PHE 8 4.074 0.515 0.386
67 HA PHE 8 HA PHE 8 2.895 -1.732 1.920
68 1HB PHE 8 1HB PHE 8 4.773 -0.163 2.741
69 2HB PHE 8 2HB PHE 8 3.626 1.143 2.836
70 HD1 PHE 8 HD2 PHE 8 2.246 -2.105 3.868
71 HD2 PHE 8 HD1 PHE 8 4.491 1.296 5.231
72 HE1 PHE 8 HE2 PHE 8 1.745 -2.702 6.207
73 HE2 PHE 8 HE1 PHE 8 3.959 0.713 7.561
74 HZ PHE 8 HZ PHE 8 2.607 -1.300 8.058
75 H GLY 9 H GLY 9 1.903 1.555 1.130
76 1HA GLY 9 1HA GLY 9 -0.647 1.447 2.616
77 2HA GLY 9 2HA GLY 9 -0.268 2.595 1.317
78 H ASN 10 H ASN 10 0.365 0.251 -0.491
79 HA ASN 10 HA ASN 10 -2.419 -0.189 -1.466
80 1HB ASN 10 1HB ASN 10 -0.291 -0.016 -2.931
81 2HB ASN 10 2HB ASN 10 0.250 -1.557 -2.312
82 1HD2 ASN 10 1HD2 ASN 10 -3.044 -1.881 -4.709
83 2HD2 ASN 10 2HD2 ASN 10 -3.051 -0.617 -3.363
84 H THR 11 H THR 11 -0.299 -1.850 0.670
85 HA THR 11 HA THR 11 -1.851 -4.407 0.574
86 HB THR 11 HB THR 11 0.345 -3.192 2.299
87 HG1 THR 11 HG1 THR 11 1.244 -5.222 1.887
88 1HG2 THR 11 3HG2 THR 11 -1.235 -5.679 3.277
89 2HG2 THR 11 1HG2 THR 11 0.316 -5.111 3.942
90 3HG2 THR 11 2HG2 THR 11 -1.132 -4.124 4.135
91 H LEU 12 H LEU 12 -1.615 -1.681 2.811
92 HA LEU 12 HA LEU 12 -3.802 -2.381 4.542
93 1HB LEU 12 1HB LEU 12 -2.285 -0.383 4.869
94 2HB LEU 12 2HB LEU 12 -2.987 0.404 3.470
95 HG LEU 12 HG LEU 12 -5.260 0.370 4.778
96 1HD1 LEU 12 2HD1 LEU 12 -4.579 -1.309 6.517
97 2HD1 LEU 12 3HD1 LEU 12 -3.337 -0.195 7.139
98 3HD1 LEU 12 1HD1 LEU 12 -5.063 0.222 7.270
99 1HD2 LEU 12 2HD2 LEU 12 -2.907 2.106 5.813
100 2HD2 LEU 12 3HD2 LEU 12 -4.011 2.494 4.470
101 3HD2 LEU 12 1HD2 LEU 12 -4.635 2.436 6.122
102 H GLU 13 H GLU 13 -3.967 -0.697 1.446
103 HA GLU 13 HA GLU 13 -6.890 -0.250 1.631
104 1HB GLU 13 1HB GLU 13 -4.861 -0.297 -0.689
105 2HB GLU 13 2HB GLU 13 -6.560 -0.034 -0.995
106 1HG GLU 13 1HG GLU 13 -6.464 2.191 -0.340
107 2HG GLU 13 2HG GLU 13 -5.553 1.849 1.110
108 H ASP 14 H ASP 14 -4.927 -2.510 -0.266
109 HA ASP 14 HA ASP 14 -7.004 -4.250 -1.154
110 1HB ASP 14 1HB ASP 14 -4.058 -4.575 -0.559
111 2HB ASP 14 2HB ASP 14 -4.977 -6.064 -0.461
112 H LYS 15 H LYS 15 -5.919 -3.780 2.077
113 HA LYS 15 HA LYS 15 -6.621 -6.375 3.203
114 1HB LYS 15 1HB LYS 15 -6.136 -5.366 5.223
115 2HB LYS 15 2HB LYS 15 -5.549 -4.047 4.220
116 1HG LYS 15 1HG LYS 15 -7.762 -2.853 4.429
117 2HG LYS 15 2HG LYS 15 -8.456 -4.230 5.282
118 1HD LYS 15 1HD LYS 15 -6.471 -2.108 6.212
119 2HD LYS 15 2HD LYS 15 -7.959 -2.670 6.998
120 1HE LYS 15 1HE LYS 15 -6.562 -5.061 7.011
121 2HE LYS 15 2HE LYS 15 -5.182 -3.952 7.048
122 1HZ LYS 15 3HZ LYS 15 -7.440 -3.367 8.832
123 2HZ LYS 15 1HZ LYS 15 -6.421 -4.646 9.227
124 3HZ LYS 15 2HZ LYS 15 -5.794 -3.096 9.047
125 H ALA 16 H ALA 16 -8.567 -3.474 2.672
126 HA ALA 16 HA ALA 16 -11.034 -5.218 2.738
127 1HB ALA 16 2HB ALA 16 -10.665 -4.644 5.174
128 2HB ALA 16 3HB ALA 16 -10.613 -2.909 4.781
129 3HB ALA 16 1HB ALA 16 -12.122 -3.830 4.575
130 NH1 ARG 17 NH2 ARG 17 -10.329 2.872 -3.742
131 NH2 ARG 17 NH1 ARG 17 -9.401 1.232 -4.913
132 H ARG 17 H ARG 17 -9.903 -4.071 0.641
133 HA ARG 17 HA ARG 17 -12.184 -2.313 -0.190
134 1HB ARG 17 1HB ARG 17 -10.180 -0.840 0.851
135 2HB ARG 17 2HB ARG 17 -9.348 -1.189 -0.653
136 1HG ARG 17 1HG ARG 17 -11.711 -0.248 -1.740
137 2HG ARG 17 2HG ARG 17 -11.845 0.524 -0.163
138 1HD ARG 17 1HD ARG 17 -10.663 2.182 -1.327
139 2HD ARG 17 2HD ARG 17 -9.279 1.265 -0.677
140 HE ARG 17 HE ARG 17 -9.305 -0.059 -2.890
141 1HH1 ARG 17 2HH2 ARG 17 -10.641 3.144 -2.809
142 2HH1 ARG 17 1HH2 ARG 17 -10.355 3.395 -4.616
143 1HH2 ARG 17 1HH1 ARG 17 -9.028 0.284 -4.837
144 2HH2 ARG 17 2HH1 ARG 17 -9.479 1.843 -5.723
145 H GLU 18 H GLU 18 -11.379 -4.879 -0.780
146 HA GLU 18 HA GLU 18 -10.634 -6.290 -2.564
147 1HB GLU 18 1HB GLU 18 -11.628 -4.877 -4.840
148 2HB GLU 18 2HB GLU 18 -12.466 -6.090 -3.902
149 1HG GLU 18 2HG GLU 18 -13.363 -4.163 -2.372
150 2HG GLU 18 1HG GLU 18 -12.634 -3.023 -3.475
Start of MODEL 3
Raw file had 150 H/Q atoms
Start of MODEL 3
1 1H ALA 1 1H ALA 1 10.241 7.153 -6.244
2 2H ALA 1 2H ALA 1 11.701 6.845 -7.019
3 3H ALA 1 3H ALA 1 10.586 5.605 -6.805
4 HA ALA 1 HA ALA 1 12.042 5.117 -5.171
5 1HB ALA 1 2HB ALA 1 13.480 7.145 -5.635
6 2HB ALA 1 3HB ALA 1 12.317 8.192 -4.786
7 3HB ALA 1 1HB ALA 1 13.237 6.961 -3.887
8 H LEU 2 H LEU 2 12.055 5.599 -2.720
9 HA LEU 2 HA LEU 2 10.678 5.095 -0.849
10 1HB LEU 2 1HB LEU 2 8.843 7.332 -1.932
11 2HB LEU 2 2HB LEU 2 8.953 6.782 -0.271
12 HG LEU 2 HG LEU 2 11.609 7.681 -1.134
13 1HD1 LEU 2 3HD2 LEU 2 10.227 9.101 -2.786
14 2HD1 LEU 2 1HD2 LEU 2 9.425 9.861 -1.407
15 3HD1 LEU 2 2HD2 LEU 2 11.185 10.061 -1.631
16 1HD2 LEU 2 2HD1 LEU 2 10.715 7.518 1.244
17 2HD2 LEU 2 3HD1 LEU 2 11.388 9.127 0.883
18 3HD2 LEU 2 1HD1 LEU 2 9.626 8.878 0.915
19 H ASP 3 H ASP 3 10.404 3.489 -2.954
20 HA ASP 3 HA ASP 3 7.465 3.178 -3.488
21 1HB ASP 3 1HB ASP 3 9.931 2.380 -4.846
22 2HB ASP 3 2HB ASP 3 9.107 0.895 -4.427
23 H LYS 4 H LYS 4 9.591 2.159 -1.108
24 HA LYS 4 HA LYS 4 8.107 -0.388 -0.514
25 1HB LYS 4 1HB LYS 4 10.400 1.207 0.692
26 2HB LYS 4 2HB LYS 4 9.460 0.267 1.841
27 1HG LYS 4 1HG LYS 4 10.328 -1.170 -0.720
28 2HG LYS 4 2HG LYS 4 11.606 -0.741 0.415
29 1HD LYS 4 1HD LYS 4 10.388 -2.059 2.203
30 2HD LYS 4 2HD LYS 4 9.082 -2.409 1.054
31 1HE LYS 4 1HE LYS 4 12.053 -3.245 0.726
32 2HE LYS 4 2HE LYS 4 10.703 -4.338 1.068
33 1HZ LYS 4 2HZ LYS 4 9.673 -3.423 -1.050
34 2HZ LYS 4 3HZ LYS 4 11.184 -2.774 -1.400
35 3HZ LYS 4 1HZ LYS 4 11.004 -4.436 -1.220
36 H LEU 5 H LEU 5 8.025 2.974 0.392
37 HA LEU 5 HA LEU 5 5.999 2.400 2.558
38 1HB LEU 5 1HB LEU 5 7.564 4.816 1.588
39 2HB LEU 5 2HB LEU 5 5.986 5.167 2.265
40 HG LEU 5 HG LEU 5 7.358 5.446 4.118
41 1HD1 LEU 5 2HD1 LEU 5 5.537 3.813 4.691
42 2HD1 LEU 5 3HD1 LEU 5 6.612 2.446 4.307
43 3HD1 LEU 5 1HD1 LEU 5 6.982 3.521 5.676
44 1HD2 LEU 5 2HD2 LEU 5 9.034 2.980 3.265
45 2HD2 LEU 5 3HD2 LEU 5 9.525 4.690 3.171
46 3HD2 LEU 5 1HD2 LEU 5 9.301 3.933 4.751
47 H LYS 6 H LYS 6 6.088 3.503 -0.734
48 HA LYS 6 HA LYS 6 3.225 4.331 -0.694
49 1HB LYS 6 1HB LYS 6 5.085 3.640 -3.079
50 2HB LYS 6 2HB LYS 6 3.536 4.461 -3.222
51 1HG LYS 6 1HG LYS 6 4.380 6.501 -2.273
52 2HG LYS 6 2HG LYS 6 5.614 5.676 -1.325
53 1HD LYS 6 1HD LYS 6 7.126 6.226 -2.944
54 2HD LYS 6 2HD LYS 6 6.250 5.222 -4.116
55 1HE LYS 6 1HE LYS 6 4.537 7.422 -4.024
56 2HE LYS 6 2HE LYS 6 6.075 8.235 -3.696
57 1HZ LYS 6 2HZ LYS 6 5.844 6.264 -5.896
58 2HZ LYS 6 3HZ LYS 6 5.423 7.879 -6.105
59 3HZ LYS 6 1HZ LYS 6 6.996 7.469 -5.676
60 H GLU 7 H GLU 7 5.018 1.509 -1.831
61 HA GLU 7 HA GLU 7 2.607 0.012 -2.658
62 1HB GLU 7 1HB GLU 7 5.464 -0.758 -1.818
63 2HB GLU 7 2HB GLU 7 4.282 -2.012 -2.100
64 1HG GLU 7 1HG GLU 7 5.652 -0.169 -4.109
65 2HG GLU 7 2HG GLU 7 5.393 -1.893 -4.208
66 H PHE 8 H PHE 8 4.023 0.767 0.389
67 HA PHE 8 HA PHE 8 2.793 -1.418 1.941
68 1HB PHE 8 1HB PHE 8 4.634 0.172 2.785
69 2HB PHE 8 2HB PHE 8 3.491 1.485 2.793
70 HD1 PHE 8 HD2 PHE 8 1.733 -1.449 3.906
71 HD2 PHE 8 HD1 PHE 8 4.592 1.482 5.210
72 HE1 PHE 8 HE2 PHE 8 1.069 -1.832 6.249
73 HE2 PHE 8 HE1 PHE 8 3.905 1.115 7.543
74 HZ PHE 8 HZ PHE 8 2.164 -0.563 8.073
75 H GLY 9 H GLY 9 1.774 1.843 1.084
76 1HA GLY 9 1HA GLY 9 -0.775 1.736 2.571
77 2HA GLY 9 2HA GLY 9 -0.402 2.874 1.260
78 H ASN 10 H ASN 10 0.236 0.516 -0.529
79 HA ASN 10 HA ASN 10 -2.550 0.072 -1.497
80 1HB ASN 10 1HB ASN 10 -0.424 0.243 -2.966
81 2HB ASN 10 2HB ASN 10 0.117 -1.298 -2.345
82 1HD2 ASN 10 1HD2 ASN 10 -1.441 -2.187 -5.507
83 2HD2 ASN 10 2HD2 ASN 10 0.143 -1.568 -4.786
84 H THR 11 H THR 11 -0.442 -1.579 0.656
85 HA THR 11 HA THR 11 -2.004 -4.132 0.557
86 HB THR 11 HB THR 11 0.174 -2.922 2.316
87 HG1 THR 11 HG1 THR 11 1.087 -4.944 1.898
88 1HG2 THR 11 3HG2 THR 11 -1.415 -5.428 3.234
89 2HG2 THR 11 1HG2 THR 11 0.120 -4.862 3.936
90 3HG2 THR 11 2HG2 THR 11 -1.335 -3.883 4.114
91 H LEU 12 H LEU 12 -1.780 -1.393 2.780
92 HA LEU 12 HA LEU 12 -3.989 -2.058 4.490
93 1HB LEU 12 1HB LEU 12 -2.488 -0.054 4.808
94 2HB LEU 12 2HB LEU 12 -3.154 0.704 3.376
95 HG LEU 12 HG LEU 12 -5.307 0.104 5.313
96 1HD1 LEU 12 2HD1 LEU 12 -3.453 0.291 6.999
97 2HD1 LEU 12 3HD1 LEU 12 -2.984 1.877 6.340
98 3HD1 LEU 12 1HD1 LEU 12 -4.566 1.665 7.126
99 1HD2 LEU 12 2HD2 LEU 12 -4.231 2.760 4.125
100 2HD2 LEU 12 3HD2 LEU 12 -5.598 1.794 3.517
101 3HD2 LEU 12 1HD2 LEU 12 -5.729 2.600 5.083
102 H GLU 13 H GLU 13 -4.118 -0.441 1.359
103 HA GLU 13 HA GLU 13 -7.044 0.033 1.536
104 1HB GLU 13 1HB GLU 13 -5.000 0.009 -0.773
105 2HB GLU 13 2HB GLU 13 -6.696 0.298 -1.077
106 1HG GLU 13 1HG GLU 13 -6.569 2.511 -0.387
107 2HG GLU 13 2HG GLU 13 -5.677 2.128 1.065
108 H ASP 14 H ASP 14 -5.026 -2.263 -0.247
109 HA ASP 14 HA ASP 14 -7.134 -3.967 -1.212
110 1HB ASP 14 1HB ASP 14 -4.191 -4.310 -0.611
111 2HB ASP 14 2HB ASP 14 -5.117 -5.795 -0.520
112 H LYS 15 H LYS 15 -6.057 -3.517 2.023
113 HA LYS 15 HA LYS 15 -6.973 -6.151 3.001
114 1HB LYS 15 1HB LYS 15 -5.941 -5.465 4.939
115 2HB LYS 15 2HB LYS 15 -5.418 -4.051 4.034
116 1HG LYS 15 1HG LYS 15 -7.165 -2.652 4.954
117 2HG LYS 15 2HG LYS 15 -8.199 -4.026 5.338
118 1HD LYS 15 1HD LYS 15 -6.019 -2.689 6.901
119 2HD LYS 15 2HD LYS 15 -7.463 -3.542 7.480
120 1HE LYS 15 1HE LYS 15 -4.895 -4.911 6.397
121 2HE LYS 15 2HE LYS 15 -5.371 -4.839 8.100
122 1HZ LYS 15 3HZ LYS 15 -7.601 -5.826 7.078
123 2HZ LYS 15 1HZ LYS 15 -6.519 -6.419 5.935
124 3HZ LYS 15 2HZ LYS 15 -6.312 -6.793 7.562
125 H ALA 16 H ALA 16 -8.442 -3.018 2.594
126 HA ALA 16 HA ALA 16 -11.094 -4.297 3.370
127 1HB ALA 16 2HB ALA 16 -10.240 -3.110 5.439
128 2HB ALA 16 3HB ALA 16 -10.041 -1.601 4.517
129 3HB ALA 16 1HB ALA 16 -11.666 -2.267 4.804
130 NH1 ARG 17 NH2 ARG 17 -7.825 -0.359 -3.872
131 NH2 ARG 17 NH1 ARG 17 -7.934 1.855 -3.948
132 H ARG 17 H ARG 17 -10.055 -3.913 0.898
133 HA ARG 17 HA ARG 17 -12.328 -2.239 -0.149
134 1HB ARG 17 1HB ARG 17 -10.052 -0.815 0.054
135 2HB ARG 17 2HB ARG 17 -9.521 -1.746 -1.334
136 1HG ARG 17 1HG ARG 17 -12.261 -0.546 -1.749
137 2HG ARG 17 2HG ARG 17 -11.046 0.669 -1.365
138 1HD ARG 17 1HD ARG 17 -10.099 -1.361 -3.374
139 2HD ARG 17 2HD ARG 17 -11.532 -0.442 -3.902
140 HE ARG 17 HE ARG 17 -10.266 1.686 -3.395
141 1HH1 ARG 17 2HH2 ARG 17 -8.371 -1.206 -3.709
142 2HH1 ARG 17 1HH2 ARG 17 -6.840 -0.255 -4.107
143 1HH2 ARG 17 1HH1 ARG 17 -8.572 2.646 -3.835
144 2HH2 ARG 17 2HH1 ARG 17 -6.943 1.839 -4.177
145 H GLU 18 H GLU 18 -11.735 -4.986 0.066
146 HA GLU 18 HA GLU 18 -11.411 -6.955 -1.256
147 1HB GLU 18 1HB GLU 18 -12.644 -6.335 -3.707
148 2HB GLU 18 2HB GLU 18 -13.449 -6.946 -2.281
149 1HG GLU 18 1HG GLU 18 -13.661 -4.307 -1.633
150 2HG GLU 18 2HG GLU 18 -13.375 -4.054 -3.337
Start of MODEL 4
Raw file had 150 H/Q atoms
Start of MODEL 4
1 1H ALA 1 1H ALA 1 10.276 7.527 -6.053
2 2H ALA 1 2H ALA 1 11.826 7.542 -6.707
3 3H ALA 1 3H ALA 1 10.955 6.105 -6.640
4 HA ALA 1 HA ALA 1 12.271 5.763 -4.884
5 1HB ALA 1 2HB ALA 1 13.492 7.951 -5.232
6 2HB ALA 1 3HB ALA 1 12.163 8.843 -4.453
7 3HB ALA 1 1HB ALA 1 13.159 7.711 -3.506
8 H LEU 2 H LEU 2 12.065 6.121 -2.451
9 HA LEU 2 HA LEU 2 10.624 5.397 -0.705
10 1HB LEU 2 1HB LEU 2 8.730 7.587 -1.791
11 2HB LEU 2 2HB LEU 2 8.714 6.917 -0.172
12 HG LEU 2 HG LEU 2 11.374 8.054 -0.774
13 1HD1 LEU 2 2HD1 LEU 2 10.081 9.514 -2.361
14 2HD1 LEU 2 3HD1 LEU 2 8.963 9.983 -1.056
15 3HD1 LEU 2 1HD1 LEU 2 10.679 10.452 -0.980
16 1HD2 LEU 2 2HD2 LEU 2 9.214 8.774 1.334
17 2HD2 LEU 2 3HD2 LEU 2 10.605 7.684 1.558
18 3HD2 LEU 2 1HD2 LEU 2 10.882 9.412 1.318
19 H ASP 3 H ASP 3 10.598 3.915 -2.917
20 HA ASP 3 HA ASP 3 7.719 3.389 -3.609
21 1HB ASP 3 1HB ASP 3 10.378 2.749 -4.810
22 2HB ASP 3 2HB ASP 3 9.405 1.299 -4.704
23 H LYS 4 H LYS 4 9.925 2.341 -1.277
24 HA LYS 4 HA LYS 4 8.600 -0.324 -0.869
25 1HB LYS 4 1HB LYS 4 10.781 1.324 0.460
26 2HB LYS 4 2HB LYS 4 9.888 0.269 1.545
27 1HG LYS 4 1HG LYS 4 10.804 -1.017 -1.063
28 2HG LYS 4 2HG LYS 4 12.096 -0.509 0.022
29 1HD LYS 4 1HD LYS 4 10.606 -1.871 1.835
30 2HD LYS 4 2HD LYS 4 9.911 -2.617 0.382
31 1HE LYS 4 1HE LYS 4 11.787 -4.051 0.779
32 2HE LYS 4 2HE LYS 4 12.451 -2.933 -0.423
33 1HZ LYS 4 3HZ LYS 4 12.664 -2.420 2.495
34 2HZ LYS 4 1HZ LYS 4 13.821 -3.276 1.623
35 3HZ LYS 4 2HZ LYS 4 13.502 -1.668 1.245
36 H LEU 5 H LEU 5 8.321 2.950 0.283
37 HA LEU 5 HA LEU 5 6.309 2.155 2.373
38 1HB LEU 5 1HB LEU 5 7.644 4.720 1.453
39 2HB LEU 5 2HB LEU 5 6.027 4.915 2.102
40 HG LEU 5 HG LEU 5 7.445 5.332 3.938
41 1HD1 LEU 5 2HD1 LEU 5 5.587 3.747 4.531
42 2HD1 LEU 5 3HD1 LEU 5 6.649 2.352 4.220
43 3HD1 LEU 5 1HD1 LEU 5 7.008 3.471 5.556
44 1HD2 LEU 5 2HD2 LEU 5 9.099 2.812 3.209
45 2HD2 LEU 5 3HD2 LEU 5 9.618 4.510 3.063
46 3HD2 LEU 5 1HD2 LEU 5 9.351 3.815 4.665
47 H LYS 6 H LYS 6 6.312 3.341 -0.894
48 HA LYS 6 HA LYS 6 3.391 3.864 -0.908
49 1HB LYS 6 1HB LYS 6 5.335 3.236 -3.250
50 2HB LYS 6 2HB LYS 6 3.710 3.874 -3.453
51 1HG LYS 6 1HG LYS 6 4.323 6.049 -2.630
52 2HG LYS 6 2HG LYS 6 5.615 5.418 -1.612
53 1HD LYS 6 1HD LYS 6 7.133 5.899 -3.255
54 2HD LYS 6 2HD LYS 6 6.258 4.898 -4.430
55 1HE LYS 6 1HE LYS 6 4.580 7.218 -4.069
56 2HE LYS 6 2HE LYS 6 6.224 7.870 -4.155
57 1HZ LYS 6 1HZ LYS 6 6.279 5.998 -6.092
58 2HZ LYS 6 2HZ LYS 6 4.685 6.526 -6.194
59 3HZ LYS 6 3HZ LYS 6 5.947 7.628 -6.336
60 H GLU 7 H GLU 7 5.432 1.142 -1.733
61 HA GLU 7 HA GLU 7 3.348 -0.660 -2.727
62 1HB GLU 7 1HB GLU 7 5.170 -2.045 -2.780
63 2HB GLU 7 2HB GLU 7 6.108 -0.786 -2.015
64 1HG GLU 7 1HG GLU 7 5.822 -1.767 0.219
65 2HG GLU 7 2HG GLU 7 4.515 -2.808 -0.293
66 H PHE 8 H PHE 8 4.334 0.388 0.446
67 HA PHE 8 HA PHE 8 2.838 -1.672 1.948
68 1HB PHE 8 1HB PHE 8 4.737 -0.202 2.883
69 2HB PHE 8 2HB PHE 8 3.692 1.188 2.804
70 HD1 PHE 8 HD1 PHE 8 2.576 -2.209 3.956
71 HD2 PHE 8 HD2 PHE 8 3.593 1.800 5.122
72 HE1 PHE 8 HE1 PHE 8 1.761 -2.664 6.231
73 HE2 PHE 8 HE2 PHE 8 2.744 1.347 7.391
74 HZ PHE 8 HZ PHE 8 1.819 -0.882 7.949
75 H GLY 9 H GLY 9 2.127 1.619 0.928
76 1HA GLY 9 1HA GLY 9 -0.503 1.781 2.254
77 2HA GLY 9 2HA GLY 9 0.025 2.807 0.905
78 H ASN 10 H ASN 10 0.572 0.325 -0.723
79 HA ASN 10 HA ASN 10 -2.192 0.012 -1.806
80 1HB ASN 10 1HB ASN 10 0.006 -0.024 -3.176
81 2HB ASN 10 2HB ASN 10 0.416 -1.564 -2.458
82 1HD2 ASN 10 1HD2 ASN 10 -2.060 -1.490 -5.633
83 2HD2 ASN 10 2HD2 ASN 10 -1.479 0.080 -4.852
84 H THR 11 H THR 11 -0.268 -1.672 0.495
85 HA THR 11 HA THR 11 -1.983 -4.124 0.460
86 HB THR 11 HB THR 11 0.204 -2.958 2.239
87 HG1 THR 11 HG1 THR 11 1.014 -5.045 1.946
88 1HG2 THR 11 3HG2 THR 11 -1.556 -5.326 3.211
89 2HG2 THR 11 1HG2 THR 11 -0.014 -4.814 3.943
90 3HG2 THR 11 2HG2 THR 11 -1.416 -3.748 4.023
91 H LEU 12 H LEU 12 -1.669 -1.295 2.554
92 HA LEU 12 HA LEU 12 -3.961 -1.759 4.226
93 1HB LEU 12 1HB LEU 12 -2.346 0.166 4.502
94 2HB LEU 12 2HB LEU 12 -2.937 0.901 3.026
95 HG LEU 12 HG LEU 12 -5.054 0.449 5.116
96 1HD1 LEU 12 3HD2 LEU 12 -3.004 1.148 6.514
97 2HD1 LEU 12 1HD2 LEU 12 -2.933 2.654 5.593
98 3HD1 LEU 12 2HD2 LEU 12 -4.363 2.296 6.601
99 1HD2 LEU 12 2HD1 LEU 12 -5.418 1.698 2.929
100 2HD2 LEU 12 3HD1 LEU 12 -5.778 2.708 4.351
101 3HD2 LEU 12 1HD1 LEU 12 -4.257 2.930 3.454
102 H GLU 13 H GLU 13 -3.902 -0.246 1.038
103 HA GLU 13 HA GLU 13 -6.802 0.369 1.072
104 1HB GLU 13 1HB GLU 13 -4.693 0.078 -1.159
105 2HB GLU 13 2HB GLU 13 -6.360 0.428 -1.542
106 1HG GLU 13 1HG GLU 13 -6.138 2.676 -1.012
107 2HG GLU 13 2HG GLU 13 -5.323 2.358 0.499
108 H ASP 14 H ASP 14 -4.912 -2.085 -0.652
109 HA ASP 14 HA ASP 14 -7.043 -3.764 -1.511
110 1HB ASP 14 1HB ASP 14 -4.144 -4.217 -0.766
111 2HB ASP 14 2HB ASP 14 -5.154 -5.644 -0.646
112 H LYS 15 H LYS 15 -6.015 -3.179 1.725
113 HA LYS 15 HA LYS 15 -6.995 -5.653 2.910
114 1HB LYS 15 1HB LYS 15 -6.215 -2.906 3.869
115 2HB LYS 15 2HB LYS 15 -7.418 -3.669 4.898
116 1HG LYS 15 1HG LYS 15 -4.928 -5.277 4.044
117 2HG LYS 15 2HG LYS 15 -4.781 -4.065 5.314
118 1HD LYS 15 1HD LYS 15 -6.876 -5.408 6.364
119 2HD LYS 15 2HD LYS 15 -6.357 -6.690 5.251
120 1HE LYS 15 1HE LYS 15 -3.929 -6.386 6.177
121 2HE LYS 15 2HE LYS 15 -4.608 -5.346 7.439
122 1HZ LYS 15 2HZ LYS 15 -6.238 -7.286 7.808
123 2HZ LYS 15 3HZ LYS 15 -5.115 -8.214 6.967
124 3HZ LYS 15 1HZ LYS 15 -4.663 -7.426 8.382
125 H ALA 16 H ALA 16 -8.588 -2.549 2.343
126 HA ALA 16 HA ALA 16 -11.229 -4.002 2.813
127 1HB ALA 16 2HB ALA 16 -10.623 -2.782 4.954
128 2HB ALA 16 3HB ALA 16 -10.433 -1.258 4.056
129 3HB ALA 16 1HB ALA 16 -12.036 -2.017 4.203
130 NH1 ARG 17 NH2 ARG 17 -11.302 0.721 -6.050
131 NH2 ARG 17 NH1 ARG 17 -13.467 0.461 -5.641
132 H ARG 17 H ARG 17 -9.948 -3.490 0.459
133 HA ARG 17 HA ARG 17 -11.387 -1.191 -0.809
134 1HB ARG 17 1HB ARG 17 -9.175 -2.057 -1.690
135 2HB ARG 17 2HB ARG 17 -9.894 -3.619 -2.035
136 1HG ARG 17 1HG ARG 17 -9.704 -2.286 -4.145
137 2HG ARG 17 2HG ARG 17 -11.407 -2.542 -3.777
138 1HD ARG 17 1HD ARG 17 -10.670 -0.078 -2.440
139 2HD ARG 17 2HD ARG 17 -9.914 -0.021 -4.054
140 HE ARG 17 HE ARG 17 -12.874 -0.529 -3.534
141 1HH1 ARG 17 2HH2 ARG 17 -10.367 0.563 -5.672
142 2HH1 ARG 17 1HH2 ARG 17 -11.585 1.137 -6.935
143 1HH2 ARG 17 1HH1 ARG 17 -14.130 0.109 -4.948
144 2HH2 ARG 17 2HH1 ARG 17 -13.632 0.893 -6.547
145 H GLU 18 H GLU 18 -11.756 -4.674 -0.588
146 HA GLU 18 HA GLU 18 -13.498 -6.088 -1.420
147 1HB GLU 18 1HB GLU 18 -15.849 -4.626 -0.889
148 2HB GLU 18 2HB GLU 18 -15.017 -5.679 0.231
149 1HG GLU 18 1HG GLU 18 -13.602 -3.425 0.829
150 2HG GLU 18 2HG GLU 18 -14.961 -2.603 0.104
Start of MODEL 5
Raw file had 150 H/Q atoms
Start of MODEL 5
1 1H ALA 1 2H ALA 1 10.105 5.945 -6.630
2 2H ALA 1 3H ALA 1 10.742 7.501 -6.676
3 3H ALA 1 1H ALA 1 11.621 6.214 -7.307
4 HA ALA 1 HA ALA 1 12.136 5.326 -5.284
5 1HB ALA 1 2HB ALA 1 13.362 7.476 -5.808
6 2HB ALA 1 3HB ALA 1 12.084 8.426 -5.014
7 3HB ALA 1 1HB ALA 1 13.113 7.332 -4.057
8 H LEU 2 H LEU 2 12.060 5.862 -2.862
9 HA LEU 2 HA LEU 2 10.712 5.286 -0.992
10 1HB LEU 2 1HB LEU 2 8.718 7.348 -2.142
11 2HB LEU 2 2HB LEU 2 8.848 6.844 -0.469
12 HG LEU 2 HG LEU 2 11.438 7.929 -1.313
13 1HD1 LEU 2 2HD1 LEU 2 10.123 9.123 -3.091
14 2HD1 LEU 2 3HD1 LEU 2 9.023 9.793 -1.861
15 3HD1 LEU 2 1HD1 LEU 2 10.739 10.265 -1.882
16 1HD2 LEU 2 2HD2 LEU 2 9.306 8.975 0.686
17 2HD2 LEU 2 3HD2 LEU 2 10.699 7.930 1.060
18 3HD2 LEU 2 1HD2 LEU 2 10.973 9.599 0.547
19 H ASP 3 H ASP 3 10.574 3.625 -3.074
20 HA ASP 3 HA ASP 3 7.695 3.077 -3.656
21 1HB ASP 3 1HB ASP 3 10.332 2.189 -4.727
22 2HB ASP 3 2HB ASP 3 9.325 0.792 -4.421
23 H LYS 4 H LYS 4 9.817 2.265 -1.163
24 HA LYS 4 HA LYS 4 8.433 -0.324 -0.508
25 1HB LYS 4 1HB LYS 4 10.697 1.350 0.625
26 2HB LYS 4 2HB LYS 4 9.784 0.450 1.827
27 1HG LYS 4 1HG LYS 4 10.549 -1.162 -0.632
28 2HG LYS 4 2HG LYS 4 11.918 -0.564 0.303
29 1HD LYS 4 1HD LYS 4 9.583 -2.035 1.656
30 2HD LYS 4 2HD LYS 4 10.829 -2.945 0.780
31 1HE LYS 4 1HE LYS 4 12.445 -1.193 2.255
32 2HE LYS 4 2HE LYS 4 11.095 -1.393 3.382
33 1HZ LYS 4 3HZ LYS 4 11.302 -3.850 2.974
34 2HZ LYS 4 1HZ LYS 4 12.747 -3.540 2.171
35 3HZ LYS 4 2HZ LYS 4 12.585 -3.138 3.795
36 H LEU 5 H LEU 5 8.242 3.048 0.343
37 HA LEU 5 HA LEU 5 6.271 2.451 2.548
38 1HB LEU 5 1HB LEU 5 7.659 4.927 1.444
39 2HB LEU 5 2HB LEU 5 6.097 5.190 2.196
40 HG LEU 5 HG LEU 5 7.560 5.610 3.959
41 1HD1 LEU 5 2HD1 LEU 5 5.852 3.912 4.675
42 2HD1 LEU 5 3HD1 LEU 5 6.972 2.585 4.277
43 3HD1 LEU 5 1HD1 LEU 5 7.358 3.722 5.592
44 1HD2 LEU 5 2HD2 LEU 5 9.309 3.199 3.094
45 2HD2 LEU 5 3HD2 LEU 5 9.710 4.926 2.922
46 3HD2 LEU 5 1HD2 LEU 5 9.604 4.212 4.534
47 H LYS 6 H LYS 6 6.260 3.497 -0.768
48 HA LYS 6 HA LYS 6 3.371 4.209 -0.706
49 1HB LYS 6 1HB LYS 6 5.233 3.553 -3.103
50 2HB LYS 6 2HB LYS 6 3.646 4.300 -3.245
51 1HG LYS 6 1HG LYS 6 4.406 6.394 -2.340
52 2HG LYS 6 2HG LYS 6 5.690 5.644 -1.396
53 1HD LYS 6 1HD LYS 6 7.099 6.388 -3.039
54 2HD LYS 6 2HD LYS 6 6.435 5.120 -4.088
55 1HE LYS 6 1HE LYS 6 4.413 7.132 -4.177
56 2HE LYS 6 2HE LYS 6 5.907 8.081 -4.171
57 1HZ LYS 6 2HZ LYS 6 6.683 6.331 -5.902
58 2HZ LYS 6 3HZ LYS 6 5.039 6.042 -6.108
59 3HZ LYS 6 1HZ LYS 6 5.661 7.581 -6.373
60 H GLU 7 H GLU 7 5.249 1.419 -1.753
61 HA GLU 7 HA GLU 7 2.910 -0.162 -2.620
62 1HB GLU 7 1HB GLU 7 5.778 -0.761 -1.735
63 2HB GLU 7 2HB GLU 7 4.664 -2.102 -1.836
64 1HG GLU 7 1HG GLU 7 5.612 -0.278 -4.146
65 2HG GLU 7 2HG GLU 7 5.946 -1.980 -3.949
66 H PHE 8 H PHE 8 4.233 0.678 0.460
67 HA PHE 8 HA PHE 8 2.930 -1.487 1.987
68 1HB PHE 8 1HB PHE 8 4.806 0.035 2.867
69 2HB PHE 8 2HB PHE 8 3.714 1.390 2.858
70 HD1 PHE 8 HD2 PHE 8 2.143 -1.756 3.952
71 HD2 PHE 8 HD1 PHE 8 4.432 1.632 5.275
72 HE1 PHE 8 HE2 PHE 8 1.360 -2.118 6.262
73 HE2 PHE 8 HE1 PHE 8 3.609 1.293 7.568
74 HZ PHE 8 HZ PHE 8 2.099 -0.602 8.076
75 H GLY 9 H GLY 9 2.021 1.832 1.202
76 1HA GLY 9 1HA GLY 9 -0.566 1.731 2.627
77 2HA GLY 9 2HA GLY 9 -0.132 2.913 1.376
78 H ASN 10 H ASN 10 0.503 0.604 -0.485
79 HA ASN 10 HA ASN 10 -2.271 0.251 -1.534
80 1HB ASN 10 1HB ASN 10 -0.107 0.457 -2.946
81 2HB ASN 10 2HB ASN 10 0.390 -1.123 -2.388
82 1HD2 ASN 10 1HD2 ASN 10 -1.574 -2.715 -4.889
83 2HD2 ASN 10 2HD2 ASN 10 -0.358 -2.898 -3.511
84 H THR 11 H THR 11 -0.206 -1.518 0.573
85 HA THR 11 HA THR 11 -1.792 -4.046 0.353
86 HB THR 11 HB THR 11 0.378 -2.932 2.183
87 HG1 THR 11 HG1 THR 11 1.277 -4.942 1.687
88 1HG2 THR 11 3HG2 THR 11 -1.243 -5.460 2.977
89 2HG2 THR 11 1HG2 THR 11 0.290 -4.938 3.718
90 3HG2 THR 11 2HG2 THR 11 -1.158 -3.954 3.923
91 H LEU 12 H LEU 12 -1.565 -1.404 2.690
92 HA LEU 12 HA LEU 12 -3.792 -2.137 4.356
93 1HB LEU 12 1HB LEU 12 -2.254 -0.170 4.778
94 2HB LEU 12 2HB LEU 12 -2.925 0.673 3.397
95 HG LEU 12 HG LEU 12 -4.842 1.354 4.530
96 1HD1 LEU 12 2HD1 LEU 12 -5.689 -0.959 5.026
97 2HD1 LEU 12 3HD1 LEU 12 -4.601 -1.079 6.431
98 3HD1 LEU 12 1HD1 LEU 12 -5.922 0.115 6.418
99 1HD2 LEU 12 2HD2 LEU 12 -2.841 0.912 6.857
100 2HD2 LEU 12 3HD2 LEU 12 -2.964 2.349 5.813
101 3HD2 LEU 12 1HD2 LEU 12 -4.278 1.969 6.931
102 H GLU 13 H GLU 13 -3.877 -0.325 1.328
103 HA GLU 13 HA GLU 13 -6.797 0.135 1.461
104 1HB GLU 13 1HB GLU 13 -4.732 0.117 -0.827
105 2HB GLU 13 2HB GLU 13 -6.425 0.402 -1.154
106 1HG GLU 13 1HG GLU 13 -6.322 2.612 -0.442
107 2HG GLU 13 2HG GLU 13 -5.425 2.229 1.006
108 H ASP 14 H ASP 14 -4.844 -2.079 -0.503
109 HA ASP 14 HA ASP 14 -6.911 -3.777 -1.460
110 1HB ASP 14 1HB ASP 14 -3.979 -4.147 -0.825
111 2HB ASP 14 2HB ASP 14 -4.912 -5.631 -0.798
112 H LYS 15 H LYS 15 -5.868 -3.438 1.803
113 HA LYS 15 HA LYS 15 -6.610 -5.998 2.866
114 1HB LYS 15 1HB LYS 15 -6.395 -3.182 3.927
115 2HB LYS 15 2HB LYS 15 -7.499 -4.185 4.856
116 1HG LYS 15 1HG LYS 15 -4.697 -5.267 4.143
117 2HG LYS 15 2HG LYS 15 -4.877 -4.107 5.457
118 1HD LYS 15 1HD LYS 15 -6.850 -6.293 5.715
119 2HD LYS 15 2HD LYS 15 -5.229 -6.968 5.464
120 1HE LYS 15 1HE LYS 15 -4.280 -5.754 7.368
121 2HE LYS 15 2HE LYS 15 -5.675 -4.673 7.496
122 1HZ LYS 15 2HZ LYS 15 -6.986 -6.870 7.819
123 2HZ LYS 15 3HZ LYS 15 -5.489 -7.519 8.227
124 3HZ LYS 15 1HZ LYS 15 -6.110 -6.223 9.100
125 H ALA 16 H ALA 16 -8.675 -3.160 2.384
126 HA ALA 16 HA ALA 16 -11.020 -4.976 1.938
127 1HB ALA 16 2HB ALA 16 -10.886 -4.965 4.464
128 2HB ALA 16 3HB ALA 16 -10.926 -3.186 4.482
129 3HB ALA 16 1HB ALA 16 -12.346 -4.108 3.931
130 NH1 ARG 17 NH2 ARG 17 -9.683 -1.944 -6.570
131 NH2 ARG 17 NH1 ARG 17 -11.415 -0.692 -7.164
132 H ARG 17 H ARG 17 -9.895 -3.389 0.213
133 HA ARG 17 HA ARG 17 -11.253 -0.758 0.083
134 1HB ARG 17 1HB ARG 17 -9.144 -1.349 -1.207
135 2HB ARG 17 2HB ARG 17 -10.028 -2.544 -2.138
136 1HG ARG 17 1HG ARG 17 -11.565 -0.482 -2.922
137 2HG ARG 17 2HG ARG 17 -10.305 0.537 -2.233
138 1HD ARG 17 1HD ARG 17 -8.843 0.108 -3.984
139 2HD ARG 17 2HD ARG 17 -9.234 -1.631 -4.024
140 HE ARG 17 HE ARG 17 -11.330 0.327 -4.991
141 1HH1 ARG 17 2HH2 ARG 17 -9.034 -2.144 -5.808
142 2HH1 ARG 17 1HH2 ARG 17 -9.745 -2.358 -7.498
143 1HH2 ARG 17 1HH1 ARG 17 -12.045 0.040 -6.832
144 2HH2 ARG 17 2HH1 ARG 17 -11.382 -1.173 -8.061
145 H GLU 18 H GLU 18 -12.010 -4.001 -0.936
146 HA GLU 18 HA GLU 18 -13.862 -4.840 -2.192
147 1HB GLU 18 1HB GLU 18 -16.130 -3.747 -1.258
148 2HB GLU 18 2HB GLU 18 -15.168 -4.821 -0.270
149 1HG GLU 18 1HG GLU 18 -14.068 -2.640 0.762
150 2HG GLU 18 2HG GLU 18 -15.317 -1.733 -0.055
No H/Q in entry = 150