Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
629794 | 5v2b RC | 30265 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 -11.226 -5.213 1.822
2 HA SER 1 HA SER 1 -9.576 -4.666 -0.700
3 HB2 SER 1 HB2 SER 1 -10.295 -7.102 -0.137
4 HB3 SER 1 HB3 SER 1 -11.968 -6.598 -0.437
5 HG SER 1 HG SER 1 -11.278 -5.901 -2.513
6 H ASP 2 H ASP 2 -10.962 -2.594 0.653
7 HA ASP 2 HA ASP 2 -12.355 -1.383 -1.552
8 HB2 ASP 2 HB2 ASP 2 -14.290 -2.933 -0.445
9 HB3 ASP 2 HB3 ASP 2 -14.281 -1.776 0.852
10 HD2 ASP 2 HD2 ASP 2 -15.051 -2.446 -2.292
11 H THR 3 H THR 3 -10.343 -0.239 -0.877
12 HA THR 3 HA THR 3 -10.968 2.058 0.873
13 HB THR 3 HB THR 3 -9.500 0.067 1.898
14 HG1 THR 3 HG1 THR 3 -10.128 2.012 2.824
15 HG21 THR 3 HG21 THR 3 -7.072 0.603 1.874
16 HG22 THR 3 HG22 THR 3 -7.651 0.047 0.262
17 HG23 THR 3 HG23 THR 3 -7.302 1.743 0.554
18 H ARG 4 H ARG 4 -11.681 2.468 -1.232
19 HA ARG 4 HA ARG 4 -9.907 3.266 -3.327
20 HB2 ARG 4 HB2 ARG 4 -12.728 4.454 -2.710
21 HB3 ARG 4 HB3 ARG 4 -11.807 4.874 -4.127
22 HG2 ARG 4 HG3 ARG 4 -13.266 3.285 -4.951
23 HG3 ARG 4 HG2 ARG 4 -11.756 2.399 -4.817
24 HD2 ARG 4 HD3 ARG 4 -12.633 1.339 -2.623
25 HD3 ARG 4 HD2 ARG 4 -14.108 2.268 -2.804
26 HH11 ARG 4 HH11 ARG 4 -14.917 -0.985 -5.614
27 HH12 ARG 4 HH12 ARG 4 -13.473 -2.117 -5.632
28 HH21 ARG 4 HH21 ARG 4 -11.533 -0.056 -3.681
29 HH22 ARG 4 HH22 ARG 4 -11.686 -1.629 -4.612
30 H TYR 5 H TYR 5 -11.058 5.244 -0.654
31 HA TYR 5 HA TYR 5 -9.342 7.523 -1.562
32 HB2 TYR 5 HB2 TYR 5 -11.748 7.896 -0.709
33 HB3 TYR 5 HB3 TYR 5 -11.196 7.451 0.888
34 HD1 TYR 5 HD1 TYR 5 -10.380 9.238 2.316
35 HD2 TYR 5 HD2 TYR 5 -10.513 9.901 -1.935
36 HE1 TYR 5 HE1 TYR 5 -9.814 11.602 2.659
37 HE2 TYR 5 HE2 TYR 5 -9.945 12.265 -1.576
38 HH TYR 5 HH TYR 5 -9.481 13.848 -0.090
39 H ASN 6 H ASN 6 -8.356 4.966 -0.535
40 HA ASN 6 HA ASN 6 -6.095 5.937 1.123
41 HB2 ASN 6 HB2 ASN 6 -7.881 4.889 2.440
42 HB3 ASN 6 HB3 ASN 6 -7.582 3.450 1.576
43 HD21 ASN 6 HD21 ASN 6 -4.645 4.490 4.319
44 HD22 ASN 6 HD22 ASN 6 -5.527 5.792 3.373
45 H LYS 7 H LYS 7 -7.080 3.449 -1.226
46 HA LYS 7 HA LYS 7 -5.918 2.517 -3.030
47 HB2 LYS 7 HB3 LYS 7 -3.672 4.461 -2.504
48 HB3 LYS 7 HB2 LYS 7 -3.846 3.407 -3.896
49 HG2 LYS 7 HG2 LYS 7 -5.782 5.666 -3.095
50 HG3 LYS 7 HG3 LYS 7 -4.544 5.794 -4.322
51 HD2 LYS 7 HD2 LYS 7 -7.002 3.929 -4.453
52 HD3 LYS 7 HD3 LYS 7 -6.872 5.505 -5.211
53 HE2 LYS 7 HE3 LYS 7 -4.939 4.677 -6.651
54 HE3 LYS 7 HE2 LYS 7 -5.089 3.073 -5.918
55 HZ2 LYS 7 HZ2 LYS 7 -6.267 3.175 -7.980
56 HZ3 LYS 7 HZ3 LYS 7 -7.335 2.928 -6.767
57 H SER 8 H SER 8 -6.079 0.690 -1.257
58 HA SER 8 HA SER 8 -5.190 -0.861 0.302
59 HB2 SER 8 HB3 SER 8 -5.055 -1.858 -1.738
60 HB3 SER 8 HB2 SER 8 -3.698 -0.859 -2.237
61 HG SER 8 HG SER 8 -3.113 -3.002 -1.678
62 H PHE 9 H PHE 9 -4.567 1.376 1.704
63 HA PHE 9 HA PHE 9 -3.162 2.402 3.154
64 HB2 PHE 9 HB2 PHE 9 -3.392 0.059 3.967
65 HB3 PHE 9 HB3 PHE 9 -1.795 -0.234 3.317
66 HD1 PHE 9 HD1 PHE 9 -0.327 -0.515 5.167
67 HD2 PHE 9 HD2 PHE 9 -3.281 2.612 5.421
68 HE1 PHE 9 HE1 PHE 9 0.518 0.124 7.382
69 HE2 PHE 9 HE2 PHE 9 -2.400 3.248 7.621
70 HZ PHE 9 HZ PHE 9 -0.505 2.008 8.610
71 H ILE 10 H ILE 10 -2.542 3.250 0.640
72 HA ILE 10 HA ILE 10 -0.960 4.548 -0.478
73 HB ILE 10 HB ILE 10 0.750 4.402 1.932
74 HG12 ILE 10 HG12 ILE 10 -1.049 6.745 1.034
75 HG13 ILE 10 HG13 ILE 10 -1.644 5.489 2.111
76 HG21 ILE 10 HG21 ILE 10 1.887 6.473 1.005
77 HG22 ILE 10 HG22 ILE 10 0.934 6.317 -0.489
78 HG23 ILE 10 HG23 ILE 10 2.139 5.090 -0.051
79 HD11 ILE 10 HD11 ILE 10 0.708 7.369 2.775
80 HD12 ILE 10 HD12 ILE 10 0.131 6.043 3.819
81 HD13 ILE 10 HD13 ILE 10 -0.935 7.417 3.449
82 H ASN 11 H ASN 11 -1.017 2.348 -1.919
83 HA ASN 11 HA ASN 11 -0.113 0.330 -2.742
84 HB2 ASN 11 HB2 ASN 11 0.472 2.149 -4.059
85 HB3 ASN 11 HB3 ASN 11 1.744 2.609 -2.983
86 HD21 ASN 11 HD21 ASN 11 2.468 -0.474 -5.682
87 HD22 ASN 11 HD22 ASN 11 0.784 -0.204 -5.004
88 H ASN 12 H ASN 12 -0.203 -0.408 -0.147
89 HA ASN 12 HA ASN 12 0.759 -1.645 1.553
90 HB2 ASN 12 HB2 ASN 12 0.835 -3.094 -0.458
91 HB3 ASN 12 HB3 ASN 12 2.536 -2.695 -0.593
92 HD21 ASN 12 HD21 ASN 12 1.374 -5.377 2.324
93 HD22 ASN 12 HD22 ASN 12 0.153 -4.311 1.464
94 H LYS 13 H LYS 13 1.549 0.953 1.894
95 HA LYS 13 HA LYS 13 3.161 2.325 2.901
96 HB2 LYS 13 HB3 LYS 13 4.244 -0.328 3.944
97 HB3 LYS 13 HB2 LYS 13 4.930 1.208 4.409
98 HG2 LYS 13 HG3 LYS 13 1.933 0.696 4.835
99 HG3 LYS 13 HG2 LYS 13 3.127 0.021 5.913
100 HD2 LYS 13 HD3 LYS 13 2.384 2.011 6.966
101 HD3 LYS 13 HD2 LYS 13 4.035 2.275 6.463
102 HE2 LYS 13 HE3 LYS 13 2.740 4.313 6.139
103 HE3 LYS 13 HE2 LYS 13 3.268 3.741 4.568
104 HZ2 LYS 13 HZ2 LYS 13 1.034 2.775 4.268
105 HZ3 LYS 13 HZ3 LYS 13 0.565 3.318 5.736
106 H HIS 14 H HIS 14 3.472 2.174 0.207
107 HA HIS 14 HA HIS 14 4.916 2.222 -1.630
108 HB2 HIS 14 HB2 HIS 14 5.537 4.178 -0.116
109 HB3 HIS 14 HB3 HIS 14 6.980 3.286 0.352
110 HD2 HIS 14 HD2 HIS 14 7.834 5.722 -0.812
111 HE1 HIS 14 HE2 HIS 14 7.838 4.214 -4.697
112 HE2 HIS 14 HE3 HIS 14 8.751 6.169 -3.291
113 H LEU 15 H LEU 15 4.556 -0.405 -0.847
114 HA LEU 15 HA LEU 15 5.482 -2.525 -0.938
115 HB2 LEU 15 HB3 LEU 15 7.523 -1.149 -2.735
116 HB3 LEU 15 HB2 LEU 15 7.701 -2.825 -2.312
117 HG LEU 15 HG LEU 15 6.740 -2.588 -4.490
118 HD11 LEU 15 HD21 LEU 15 6.017 -4.643 -3.006
119 HD12 LEU 15 HD22 LEU 15 4.554 -3.768 -2.545
120 HD13 LEU 15 HD23 LEU 15 4.789 -4.241 -4.226
121 HD21 LEU 15 HD11 LEU 15 5.482 -0.457 -4.206
122 HD22 LEU 15 HD12 LEU 15 4.233 -1.299 -3.254
123 HD23 LEU 15 HD13 LEU 15 4.485 -1.725 -4.962
124 H ASN 16 H ASN 16 5.764 -1.259 1.512
125 HA ASN 16 HA ASN 16 6.953 -1.196 3.487
126 HB2 ASN 16 HB3 ASN 16 6.559 -3.603 3.055
127 HB3 ASN 16 HB2 ASN 16 8.219 -3.718 2.497
128 HD21 ASN 16 HD21 ASN 16 7.527 -3.477 6.559
129 HD22 ASN 16 HD22 ASN 16 6.207 -3.118 5.335
130 H GLU 17 H GLU 17 7.880 0.645 1.650
131 HA GLU 17 HA GLU 17 9.611 2.076 1.167
132 HB2 GLU 17 HB3 GLU 17 11.013 0.896 3.526
133 HB3 GLU 17 HB2 GLU 17 11.556 2.332 2.681
134 HG2 GLU 17 HG2 GLU 17 9.462 3.557 3.244
135 HG3 GLU 17 HG3 GLU 17 8.757 2.115 3.961
136 HE2 GLU 17 HE2 GLU 17 11.490 4.360 5.936
137 H HIS 18 H HIS 18 9.398 0.005 -0.591
138 HA HIS 18 HA HIS 18 10.416 -1.174 -2.242
139 HB2 HIS 18 HB2 HIS 18 11.220 1.175 -2.564
140 HB3 HIS 18 HB3 HIS 18 12.793 0.720 -1.917
141 HD2 HIS 18 HD2 HIS 18 13.211 1.691 -4.544
142 HE1 HIS 18 HE2 HIS 18 12.577 -2.014 -6.343
143 HE2 HIS 18 HE3 HIS 18 13.590 0.308 -6.808
144 H ALA 19 H ALA 19 10.445 -3.129 -1.198
145 HA ALA 19 HA ALA 19 13.029 -4.406 -0.859
146 HB1 ALA 19 HB1 ALA 19 11.385 -4.140 1.758
147 HB2 ALA 19 HB2 ALA 19 12.805 -5.192 1.534
148 HB3 ALA 19 HB3 ALA 19 12.987 -3.430 1.445
149 H HIS 20 H HIS 20 12.344 -5.870 -2.312
150 HA HIS 20 HA HIS 20 9.769 -7.195 -2.277
151 HB2 HIS 20 HB3 HIS 20 11.204 -6.718 -4.326
152 HB3 HIS 20 HB2 HIS 20 12.230 -8.064 -3.878
153 HD2 HIS 20 HD2 HIS 20 11.257 -8.595 -6.472
154 HE1 HIS 20 HE2 HIS 20 7.718 -10.351 -5.153
155 HE2 HIS 20 HE3 HIS 20 9.216 -10.148 -7.237
156 HC HIS 20 HC HIS 20 12.000 -9.211 -1.329
Start of MODEL 2
1 H1 SER 1 H SER 1 -14.556 -2.440 1.456
2 HA SER 1 HA SER 1 -11.737 -3.556 1.839
3 HB2 SER 1 HB3 SER 1 -13.770 -4.830 2.777
4 HB3 SER 1 HB2 SER 1 -14.290 -5.107 1.103
5 HG SER 1 HG SER 1 -13.009 -6.776 1.944
6 H ASP 2 H ASP 2 -12.319 -1.587 -0.142
7 HA ASP 2 HA ASP 2 -10.957 -2.791 -2.408
8 HB2 ASP 2 HB3 ASP 2 -13.548 -3.410 -2.878
9 HB3 ASP 2 HB2 ASP 2 -13.783 -1.705 -3.137
10 HD2 ASP 2 HD2 ASP 2 -12.090 -4.475 -4.103
11 H THR 3 H THR 3 -9.728 -1.073 -1.159
12 HA THR 3 HA THR 3 -9.709 1.453 -2.685
13 HB THR 3 HB THR 3 -11.085 1.521 -0.493
14 HG1 THR 3 HG1 THR 3 -8.992 3.357 -1.026
15 HG21 THR 3 HG21 THR 3 -9.953 2.178 1.554
16 HG22 THR 3 HG22 THR 3 -9.351 0.555 1.088
17 HG23 THR 3 HG23 THR 3 -8.369 2.001 0.823
18 H ARG 4 H ARG 4 -8.185 -0.306 -3.593
19 HA ARG 4 HA ARG 4 -5.623 -0.679 -2.395
20 HB2 ARG 4 HB3 ARG 4 -5.981 -0.165 -5.452
21 HB3 ARG 4 HB2 ARG 4 -4.640 -1.014 -4.732
22 HG2 ARG 4 HG3 ARG 4 -7.551 -1.990 -4.890
23 HG3 ARG 4 HG2 ARG 4 -6.198 -2.538 -5.863
24 HD2 ARG 4 HD2 ARG 4 -5.090 -3.544 -3.829
25 HD3 ARG 4 HD3 ARG 4 -6.420 -2.953 -2.808
26 HH11 ARG 4 HH11 ARG 4 -8.214 -6.529 -4.655
27 HH12 ARG 4 HH12 ARG 4 -7.836 -7.418 -3.095
28 HH21 ARG 4 HH21 ARG 4 -6.616 -6.544 -1.603
29 HH22 ARG 4 HH22 ARG 4 -5.904 -4.868 -1.834
30 H TYR 5 H TYR 5 -6.663 2.252 -3.747
31 HA TYR 5 HA TYR 5 -3.946 3.435 -3.383
32 HB2 TYR 5 HB3 TYR 5 -5.508 3.919 -5.470
33 HB3 TYR 5 HB2 TYR 5 -6.421 4.950 -4.406
34 HD1 TYR 5 HD1 TYR 5 -5.590 7.245 -4.000
35 HD2 TYR 5 HD2 TYR 5 -3.022 4.381 -5.931
36 HE1 TYR 5 HE1 TYR 5 -4.005 9.034 -4.562
37 HE2 TYR 5 HE2 TYR 5 -1.447 6.181 -6.489
38 HH TYR 5 HH TYR 5 -0.992 8.349 -6.343
39 H ASN 6 H ASN 6 -5.965 2.701 -1.256
40 HA ASN 6 HA ASN 6 -4.950 4.515 0.827
41 HB2 ASN 6 HB2 ASN 6 -7.072 5.380 -0.333
42 HB3 ASN 6 HB3 ASN 6 -7.851 4.070 0.475
43 HD21 ASN 6 HD21 ASN 6 -6.749 7.401 2.690
44 HD22 ASN 6 HD22 ASN 6 -5.988 7.040 1.059
45 H LYS 7 H LYS 7 -5.851 1.199 0.170
46 HA LYS 7 HA LYS 7 -6.834 0.078 2.339
47 HB2 LYS 7 HB2 LYS 7 -4.396 -0.741 0.651
48 HB3 LYS 7 HB3 LYS 7 -4.874 -1.797 1.941
49 HG2 LYS 7 HG3 LYS 7 -6.479 -1.073 -0.523
50 HG3 LYS 7 HG2 LYS 7 -5.769 -2.616 -0.161
51 HD2 LYS 7 HD2 LYS 7 -8.135 -1.321 1.333
52 HD3 LYS 7 HD3 LYS 7 -8.269 -2.457 0.010
53 HE2 LYS 7 HE3 LYS 7 -7.063 -4.236 1.398
54 HE3 LYS 7 HE2 LYS 7 -6.956 -3.094 2.747
55 HZ2 LYS 7 HZ2 LYS 7 -9.387 -2.977 2.750
56 HZ3 LYS 7 HZ3 LYS 7 -9.485 -4.031 1.505
57 H SER 8 H SER 8 -3.558 0.396 2.188
58 HA SER 8 HA SER 8 -3.198 1.145 5.127
59 HB2 SER 8 HB3 SER 8 -2.642 -1.239 4.514
60 HB3 SER 8 HB2 SER 8 -1.317 -0.589 3.561
61 HG SER 8 HG SER 8 -1.719 -0.134 6.326
62 H PHE 9 H PHE 9 -3.540 3.426 3.717
63 HA PHE 9 HA PHE 9 -2.832 5.136 2.388
64 HB2 PHE 9 HB3 PHE 9 -1.683 5.395 4.546
65 HB3 PHE 9 HB2 PHE 9 -0.289 4.592 3.859
66 HD1 PHE 9 HD1 PHE 9 -2.155 7.198 1.825
67 HD2 PHE 9 HD2 PHE 9 1.147 6.453 4.496
68 HE1 PHE 9 HE1 PHE 9 -1.220 9.401 1.305
69 HE2 PHE 9 HE2 PHE 9 2.052 8.672 3.968
70 HZ PHE 9 HZ PHE 9 0.879 10.149 2.373
71 H ILE 10 H ILE 10 -3.142 3.169 0.634
72 HA ILE 10 HA ILE 10 -2.691 2.632 -1.494
73 HB ILE 10 HB ILE 10 -0.107 4.111 -1.496
74 HG12 ILE 10 HG12 ILE 10 -2.664 5.164 -2.775
75 HG13 ILE 10 HG13 ILE 10 -2.402 5.427 -1.060
76 HG21 ILE 10 HG21 ILE 10 -0.186 2.486 -3.386
77 HG22 ILE 10 HG22 ILE 10 -0.342 4.128 -4.016
78 HG23 ILE 10 HG23 ILE 10 -1.780 3.090 -3.879
79 HD11 ILE 10 HD11 ILE 10 -0.258 6.674 -1.556
80 HD12 ILE 10 HD12 ILE 10 -0.508 6.413 -3.304
81 HD13 ILE 10 HD13 ILE 10 -1.658 7.402 -2.376
82 H ASN 11 H ASN 11 -2.569 0.283 -0.364
83 HA ASN 11 HA ASN 11 -1.419 -1.609 0.457
84 HB2 ASN 11 HB2 ASN 11 -1.971 -1.833 -1.771
85 HB3 ASN 11 HB3 ASN 11 -0.611 -0.893 -2.278
86 HD21 ASN 11 HD21 ASN 11 0.080 -4.865 -1.216
87 HD22 ASN 11 HD22 ASN 11 -1.149 -3.860 -0.295
88 H ASN 12 H ASN 12 -0.348 0.111 2.177
89 HA ASN 12 HA ASN 12 1.418 0.638 3.506
90 HB2 ASN 12 HB3 ASN 12 1.330 -1.831 3.563
91 HB3 ASN 12 HB2 ASN 12 2.698 -1.838 2.464
92 HD21 ASN 12 HD21 ASN 12 3.363 -0.926 6.435
93 HD22 ASN 12 HD22 ASN 12 1.671 -0.951 5.726
94 H LYS 13 H LYS 13 1.387 2.402 1.401
95 HA LYS 13 HA LYS 13 2.755 3.893 0.177
96 HB2 LYS 13 HB3 LYS 13 4.721 3.098 2.363
97 HB3 LYS 13 HB2 LYS 13 5.233 4.155 1.082
98 HG2 LYS 13 HG3 LYS 13 2.654 4.886 2.573
99 HG3 LYS 13 HG2 LYS 13 4.197 5.085 3.369
100 HD2 LYS 13 HD2 LYS 13 3.604 7.201 2.369
101 HD3 LYS 13 HD3 LYS 13 5.055 6.574 1.622
102 HE2 LYS 13 HE2 LYS 13 3.716 7.627 -0.093
103 HE3 LYS 13 HE3 LYS 13 3.753 5.902 -0.433
104 HZ2 LYS 13 HZ2 LYS 13 1.556 6.784 -0.693
105 HZ3 LYS 13 HZ3 LYS 13 1.545 5.716 0.544
106 H HIS 14 H HIS 14 2.229 1.602 -1.186
107 HA HIS 14 HA HIS 14 2.906 0.061 -2.795
108 HB2 HIS 14 HB2 HIS 14 3.358 2.376 -3.746
109 HB3 HIS 14 HB3 HIS 14 5.075 2.097 -3.475
110 HD2 HIS 14 HD2 HIS 14 4.720 2.548 -6.249
111 HE1 HIS 14 HE2 HIS 14 3.942 -1.456 -7.103
112 HE2 HIS 14 HE3 HIS 14 4.611 0.756 -8.239
113 H LEU 15 H LEU 15 3.609 -0.890 -0.302
114 HA LEU 15 HA LEU 15 5.070 -2.294 0.824
115 HB2 LEU 15 HB3 LEU 15 5.914 -3.052 -2.007
116 HB3 LEU 15 HB2 LEU 15 6.717 -3.742 -0.630
117 HG LEU 15 HG LEU 15 5.092 -5.253 -1.522
118 HD11 LEU 15 HD11 LEU 15 3.928 -5.895 0.679
119 HD12 LEU 15 HD12 LEU 15 4.112 -4.259 1.307
120 HD13 LEU 15 HD13 LEU 15 5.542 -5.268 1.074
121 HD21 LEU 15 HD21 LEU 15 3.401 -3.637 -2.392
122 HD22 LEU 15 HD22 LEU 15 2.840 -3.313 -0.734
123 HD23 LEU 15 HD23 LEU 15 2.658 -4.938 -1.429
124 H ASN 16 H ASN 16 5.727 0.407 0.978
125 HA ASN 16 HA ASN 16 7.407 1.918 1.443
126 HB2 ASN 16 HB2 ASN 16 7.623 0.180 3.191
127 HB3 ASN 16 HB3 ASN 16 8.976 -0.481 2.290
128 HD21 ASN 16 HD21 ASN 16 9.574 2.970 4.472
129 HD22 ASN 16 HD22 ASN 16 7.890 2.317 4.145
130 H GLU 17 H GLU 17 7.109 1.470 -1.261
131 HA GLU 17 HA GLU 17 8.088 1.782 -3.314
132 HB2 GLU 17 HB3 GLU 17 10.463 2.823 -1.831
133 HB3 GLU 17 HB2 GLU 17 10.254 2.960 -3.566
134 HG2 GLU 17 HG3 GLU 17 8.196 4.335 -3.296
135 HG3 GLU 17 HG2 GLU 17 8.218 4.108 -1.552
136 HE2 GLU 17 HE2 GLU 17 10.659 6.769 -3.388
137 H HIS 18 H HIS 18 7.938 -0.840 -2.567
138 HA HIS 18 HA HIS 18 8.667 -2.953 -2.964
139 HB2 HIS 18 HB3 HIS 18 8.574 -1.885 -5.228
140 HB3 HIS 18 HB2 HIS 18 10.331 -1.783 -5.245
141 HD2 HIS 18 HD2 HIS 18 9.556 -3.340 -7.479
142 HE1 HIS 18 HE2 HIS 18 9.513 -6.924 -5.354
143 HE2 HIS 18 HE3 HIS 18 9.571 -6.005 -7.759
144 H ALA 19 H ALA 19 9.625 -3.295 -0.995
145 HA ALA 19 HA ALA 19 12.434 -4.017 -1.000
146 HB1 ALA 19 HB1 ALA 19 13.254 -2.560 0.896
147 HB2 ALA 19 HB2 ALA 19 12.856 -1.594 -0.537
148 HB3 ALA 19 HB3 ALA 19 11.738 -1.625 0.848
149 H HIS 20 H HIS 20 11.791 -5.988 -0.351
150 HA HIS 20 HA HIS 20 9.896 -6.522 1.774
151 HB2 HIS 20 HB3 HIS 20 10.369 -7.998 -0.246
152 HB3 HIS 20 HB2 HIS 20 11.841 -8.536 0.535
153 HD2 HIS 20 HD2 HIS 20 10.284 -10.835 0.036
154 HE1 HIS 20 HE2 HIS 20 8.075 -10.516 3.553
155 HE2 HIS 20 HE3 HIS 20 8.676 -12.190 1.691
156 HC HIS 20 HC HIS 20 12.812 -7.168 2.782
Start of MODEL 3
1 H1 SER 1 H SER 1 -10.993 -5.317 1.662
2 HA SER 1 HA SER 1 -9.485 -4.572 -0.899
3 HB2 SER 1 HB3 SER 1 -10.092 -7.059 -0.441
4 HB3 SER 1 HB2 SER 1 -11.794 -6.602 -0.633
5 HG SER 1 HG SER 1 -9.700 -6.181 -2.512
6 H ASP 2 H ASP 2 -10.866 -2.629 0.633
7 HA ASP 2 HA ASP 2 -12.417 -1.354 -1.447
8 HB2 ASP 2 HB3 ASP 2 -14.239 -3.001 -0.318
9 HB3 ASP 2 HB2 ASP 2 -14.122 -1.977 1.083
10 HD2 ASP 2 HD2 ASP 2 -14.709 -2.018 -2.274
11 H THR 3 H THR 3 -10.355 -0.213 -0.818
12 HA THR 3 HA THR 3 -10.960 2.052 0.974
13 HB THR 3 HB THR 3 -9.470 0.055 1.956
14 HG1 THR 3 HG1 THR 3 -10.087 1.988 2.914
15 HG21 THR 3 HG21 THR 3 -7.044 0.594 1.900
16 HG22 THR 3 HG22 THR 3 -7.297 1.749 0.597
17 HG23 THR 3 HG23 THR 3 -7.649 0.057 0.291
18 H ARG 4 H ARG 4 -11.708 2.485 -1.117
19 HA ARG 4 HA ARG 4 -9.964 3.292 -3.235
20 HB2 ARG 4 HB2 ARG 4 -12.766 4.489 -2.560
21 HB3 ARG 4 HB3 ARG 4 -11.875 4.903 -3.997
22 HG2 ARG 4 HG3 ARG 4 -13.419 3.313 -4.742
23 HG3 ARG 4 HG2 ARG 4 -11.879 2.489 -4.752
24 HD2 ARG 4 HD2 ARG 4 -13.596 0.940 -3.978
25 HD3 ARG 4 HD3 ARG 4 -12.508 1.235 -2.654
26 HH11 ARG 4 HH11 ARG 4 -15.454 1.465 -4.618
27 HH12 ARG 4 HH12 ARG 4 -17.171 1.817 -4.077
28 HH21 ARG 4 HH21 ARG 4 -16.214 2.823 -0.928
29 HH22 ARG 4 HH22 ARG 4 -17.570 2.533 -2.130
30 H TYR 5 H TYR 5 -11.070 5.252 -0.529
31 HA TYR 5 HA TYR 5 -9.372 7.538 -1.452
32 HB2 TYR 5 HB2 TYR 5 -11.765 7.906 -0.561
33 HB3 TYR 5 HB3 TYR 5 -11.189 7.452 1.025
34 HD1 TYR 5 HD1 TYR 5 -10.352 9.230 2.451
35 HD2 TYR 5 HD2 TYR 5 -10.549 9.919 -1.794
36 HE1 TYR 5 HE1 TYR 5 -9.781 11.592 2.800
37 HE2 TYR 5 HE2 TYR 5 -9.976 12.280 -1.429
38 HH TYR 5 HH TYR 5 -9.407 13.564 1.849
39 H ASN 6 H ASN 6 -8.371 4.976 -0.455
40 HA ASN 6 HA ASN 6 -6.085 5.937 1.175
41 HB2 ASN 6 HB2 ASN 6 -7.849 4.882 2.513
42 HB3 ASN 6 HB3 ASN 6 -7.570 3.449 1.634
43 HD21 ASN 6 HD21 ASN 6 -4.581 4.460 4.332
44 HD22 ASN 6 HD22 ASN 6 -5.470 5.771 3.406
45 H LYS 7 H LYS 7 -7.104 3.462 -1.173
46 HA LYS 7 HA LYS 7 -5.970 2.543 -3.001
47 HB2 LYS 7 HB2 LYS 7 -3.719 4.487 -2.499
48 HB3 LYS 7 HB3 LYS 7 -3.914 3.441 -3.894
49 HG2 LYS 7 HG2 LYS 7 -5.840 5.692 -3.051
50 HG3 LYS 7 HG3 LYS 7 -4.620 5.828 -4.295
51 HD2 LYS 7 HD2 LYS 7 -7.086 3.979 -4.379
52 HD3 LYS 7 HD3 LYS 7 -6.968 5.528 -5.168
53 HE2 LYS 7 HE3 LYS 7 -5.214 3.073 -5.874
54 HE3 LYS 7 HE2 LYS 7 -6.677 3.556 -6.723
55 HZ2 LYS 7 HZ2 LYS 7 -4.754 4.349 -7.864
56 HZ3 LYS 7 HZ3 LYS 7 -5.629 5.626 -7.340
57 H SER 8 H SER 8 -6.102 0.704 -1.242
58 HA SER 8 HA SER 8 -5.189 -0.860 0.288
59 HB2 SER 8 HB2 SER 8 -5.079 -1.839 -1.762
60 HB3 SER 8 HB3 SER 8 -3.732 -0.832 -2.270
61 HG SER 8 HG SER 8 -3.692 -2.839 -0.247
62 H PHE 9 H PHE 9 -4.554 1.360 1.708
63 HA PHE 9 HA PHE 9 -3.139 2.361 3.160
64 HB2 PHE 9 HB3 PHE 9 -3.337 0.004 3.929
65 HB3 PHE 9 HB2 PHE 9 -1.752 -0.272 3.239
66 HD1 PHE 9 HD1 PHE 9 -2.918 2.721 5.339
67 HD2 PHE 9 HD2 PHE 9 -0.543 -0.874 5.200
68 HE1 PHE 9 HE1 PHE 9 -2.046 3.196 7.578
69 HE2 PHE 9 HE2 PHE 9 0.296 -0.387 7.454
70 HZ PHE 9 HZ PHE 9 -0.450 1.643 8.650
71 H ILE 10 H ILE 10 -2.548 3.219 0.629
72 HA ILE 10 HA ILE 10 -0.989 4.545 -0.498
73 HB ILE 10 HB ILE 10 0.798 4.363 1.855
74 HG12 ILE 10 HG13 ILE 10 -1.015 6.754 1.148
75 HG13 ILE 10 HG12 ILE 10 -1.626 5.430 2.130
76 HG21 ILE 10 HG21 ILE 10 1.858 6.484 0.952
77 HG22 ILE 10 HG22 ILE 10 2.086 5.138 -0.159
78 HG23 ILE 10 HG23 ILE 10 0.845 6.359 -0.505
79 HD11 ILE 10 HD11 ILE 10 -0.845 7.235 3.607
80 HD12 ILE 10 HD12 ILE 10 0.183 5.803 3.853
81 HD13 ILE 10 HD13 ILE 10 0.788 7.189 2.906
82 H ASN 11 H ASN 11 -1.058 2.329 -1.941
83 HA ASN 11 HA ASN 11 -0.136 0.312 -2.780
84 HB2 ASN 11 HB2 ASN 11 0.419 2.118 -4.122
85 HB3 ASN 11 HB3 ASN 11 1.682 2.617 -3.054
86 HD21 ASN 11 HD21 ASN 11 2.460 -0.464 -5.738
87 HD22 ASN 11 HD22 ASN 11 0.762 -0.183 -5.101
88 H ASN 12 H ASN 12 -0.203 -0.410 -0.182
89 HA ASN 12 HA ASN 12 0.780 -1.609 1.527
90 HB2 ASN 12 HB3 ASN 12 0.890 -3.081 -0.468
91 HB3 ASN 12 HB2 ASN 12 2.581 -2.644 -0.613
92 HD21 ASN 12 HD21 ASN 12 1.492 -5.318 2.340
93 HD22 ASN 12 HD22 ASN 12 0.244 -4.281 1.484
94 H LYS 13 H LYS 13 1.540 1.033 1.719
95 HA LYS 13 HA LYS 13 3.112 2.492 2.672
96 HB2 LYS 13 HB3 LYS 13 4.236 -0.033 3.958
97 HB3 LYS 13 HB2 LYS 13 4.744 1.594 4.354
98 HG2 LYS 13 HG2 LYS 13 1.921 0.454 4.743
99 HG3 LYS 13 HG3 LYS 13 3.113 0.698 5.999
100 HD2 LYS 13 HD2 LYS 13 1.707 2.928 4.390
101 HD3 LYS 13 HD3 LYS 13 1.324 2.420 6.020
102 HE2 LYS 13 HE2 LYS 13 3.617 3.159 6.826
103 HE3 LYS 13 HE3 LYS 13 4.002 3.718 5.191
104 HZ2 LYS 13 HZ2 LYS 13 3.189 5.491 6.594
105 HZ3 LYS 13 HZ3 LYS 13 1.779 4.715 6.883
106 H HIS 14 H HIS 14 3.494 2.226 0.029
107 HA HIS 14 HA HIS 14 4.973 2.217 -1.765
108 HB2 HIS 14 HB2 HIS 14 5.598 4.201 -0.293
109 HB3 HIS 14 HB3 HIS 14 7.020 3.301 0.224
110 HD2 HIS 14 HD2 HIS 14 7.931 5.692 -0.988
111 HE1 HIS 14 HE2 HIS 14 7.977 4.083 -4.832
112 HE2 HIS 14 HE3 HIS 14 8.896 6.060 -3.462
113 H LEU 15 H LEU 15 4.551 -0.376 -0.894
114 HA LEU 15 HA LEU 15 5.442 -2.516 -0.899
115 HB2 LEU 15 HB3 LEU 15 7.499 -1.239 -2.751
116 HB3 LEU 15 HB2 LEU 15 7.642 -2.905 -2.278
117 HG LEU 15 HG LEU 15 6.671 -2.702 -4.460
118 HD11 LEU 15 HD11 LEU 15 4.695 -4.315 -4.136
119 HD12 LEU 15 HD12 LEU 15 4.487 -3.798 -2.465
120 HD13 LEU 15 HD13 LEU 15 5.930 -4.708 -2.922
121 HD21 LEU 15 HD21 LEU 15 4.430 -1.816 -4.941
122 HD22 LEU 15 HD22 LEU 15 4.191 -1.346 -3.244
123 HD23 LEU 15 HD23 LEU 15 5.446 -0.544 -4.220
124 H ASN 16 H ASN 16 5.766 -1.147 1.495
125 HA ASN 16 HA ASN 16 6.956 -1.047 3.466
126 HB2 ASN 16 HB3 ASN 16 6.513 -3.456 3.124
127 HB3 ASN 16 HB2 ASN 16 8.168 -3.628 2.566
128 HD21 ASN 16 HD21 ASN 16 7.496 -3.230 6.618
129 HD22 ASN 16 HD22 ASN 16 6.178 -2.894 5.386
130 H GLU 17 H GLU 17 7.908 0.713 1.569
131 HA GLU 17 HA GLU 17 9.664 2.093 1.029
132 HB2 GLU 17 HB3 GLU 17 11.056 0.964 3.419
133 HB3 GLU 17 HB2 GLU 17 11.622 2.361 2.523
134 HG2 GLU 17 HG3 GLU 17 9.557 3.645 3.056
135 HG3 GLU 17 HG2 GLU 17 8.827 2.241 3.824
136 HE2 GLU 17 HE2 GLU 17 11.616 4.496 5.709
137 H HIS 18 H HIS 18 9.401 -0.040 -0.654
138 HA HIS 18 HA HIS 18 10.388 -1.294 -2.267
139 HB2 HIS 18 HB2 HIS 18 11.226 1.029 -2.681
140 HB3 HIS 18 HB3 HIS 18 12.796 0.572 -2.029
141 HD2 HIS 18 HD2 HIS 18 13.210 1.441 -4.692
142 HE1 HIS 18 HE2 HIS 18 12.505 -2.316 -6.350
143 HE2 HIS 18 HE3 HIS 18 13.550 -0.030 -6.907
144 H ALA 19 H ALA 19 10.394 -3.210 -1.152
145 HA ALA 19 HA ALA 19 12.960 -4.515 -0.787
146 HB1 ALA 19 HB1 ALA 19 11.343 -4.128 1.831
147 HB2 ALA 19 HB2 ALA 19 12.953 -3.455 1.480
148 HB3 ALA 19 HB3 ALA 19 12.744 -5.210 1.634
149 H HIS 20 H HIS 20 12.238 -6.020 -2.181
150 HA HIS 20 HA HIS 20 9.644 -7.315 -2.062
151 HB2 HIS 20 HB3 HIS 20 11.084 -6.917 -4.145
152 HB3 HIS 20 HB2 HIS 20 12.087 -8.267 -3.654
153 HD2 HIS 20 HD2 HIS 20 11.096 -8.871 -6.224
154 HE1 HIS 20 HE2 HIS 20 7.505 -10.472 -4.850
155 HE2 HIS 20 HE3 HIS 20 9.010 -10.387 -6.937
156 HC HIS 20 HC HIS 20 10.192 -9.212 -0.549
Start of MODEL 4
1 H1 SER 1 H SER 1 -12.042 -4.709 2.929
2 HA SER 1 HA SER 1 -11.455 -5.582 0.050
3 HB2 SER 1 HB3 SER 1 -13.238 -6.854 1.440
4 HB3 SER 1 HB2 SER 1 -14.210 -5.371 1.413
5 HG SER 1 HG SER 1 -14.060 -5.438 -0.877
6 H ASP 2 H ASP 2 -10.637 -3.056 1.029
7 HA ASP 2 HA ASP 2 -11.718 -1.353 -1.065
8 HB2 ASP 2 HB3 ASP 2 -13.521 -1.036 0.903
9 HB3 ASP 2 HB2 ASP 2 -12.236 -0.317 1.829
10 HD2 ASP 2 HD2 ASP 2 -13.851 1.620 -1.368
11 H THR 3 H THR 3 -9.424 -1.955 -1.301
12 HA THR 3 HA THR 3 -7.465 -0.241 0.069
13 HB THR 3 HB THR 3 -7.033 -2.676 -0.648
14 HG1 THR 3 HG1 THR 3 -5.455 -1.243 0.059
15 HG21 THR 3 HG21 THR 3 -7.786 -2.480 -3.059
16 HG22 THR 3 HG22 THR 3 -6.442 -1.349 -3.370
17 HG23 THR 3 HG23 THR 3 -6.097 -3.033 -2.906
18 H ARG 4 H ARG 4 -9.211 0.685 -2.245
19 HA ARG 4 HA ARG 4 -8.813 2.478 -3.854
20 HB2 ARG 4 HB2 ARG 4 -7.620 3.832 -1.349
21 HB3 ARG 4 HB3 ARG 4 -8.247 4.709 -2.715
22 HG2 ARG 4 HG3 ARG 4 -9.909 3.046 -0.728
23 HG3 ARG 4 HG2 ARG 4 -9.738 4.793 -0.761
24 HD2 ARG 4 HD2 ARG 4 -10.869 4.852 -3.057
25 HD3 ARG 4 HD3 ARG 4 -11.093 3.095 -2.957
26 HH11 ARG 4 HH11 ARG 4 -15.446 4.266 -1.646
27 HH12 ARG 4 HH12 ARG 4 -14.268 4.588 -0.275
28 HH21 ARG 4 HH21 ARG 4 -14.760 3.773 -3.585
29 HH22 ARG 4 HH22 ARG 4 -12.965 3.654 -3.946
30 H TYR 5 H TYR 5 -6.879 0.579 -3.873
31 HA TYR 5 HA TYR 5 -4.954 0.096 -5.064
32 HB2 TYR 5 HB3 TYR 5 -6.302 0.564 -6.813
33 HB3 TYR 5 HB2 TYR 5 -6.334 2.265 -6.567
34 HD1 TYR 5 HD1 TYR 5 -4.164 -0.564 -7.803
35 HD2 TYR 5 HD2 TYR 5 -4.664 3.710 -7.740
36 HE1 TYR 5 HE1 TYR 5 -2.410 -0.326 -9.508
37 HE2 TYR 5 HE2 TYR 5 -2.909 3.934 -9.445
38 HH TYR 5 HH TYR 5 -1.447 2.879 -10.742
39 H ASN 6 H ASN 6 -4.934 1.351 -2.712
40 HA ASN 6 HA ASN 6 -4.016 1.542 -1.402
41 HB2 ASN 6 HB2 ASN 6 -1.985 1.562 -0.513
42 HB3 ASN 6 HB3 ASN 6 -2.976 0.299 -0.568
43 HD21 ASN 6 HD21 ASN 6 -1.621 -1.656 -3.221
44 HD22 ASN 6 HD22 ASN 6 -3.124 -1.081 -2.313
45 H LYS 7 H LYS 7 -5.070 3.549 -1.312
46 HA LYS 7 HA LYS 7 -3.772 5.685 0.086
47 HB2 LYS 7 HB2 LYS 7 -6.716 5.361 -0.152
48 HB3 LYS 7 HB3 LYS 7 -5.724 6.770 0.222
49 HG2 LYS 7 HG3 LYS 7 -6.121 5.512 -2.556
50 HG3 LYS 7 HG2 LYS 7 -6.853 6.999 -2.008
51 HD2 LYS 7 HD2 LYS 7 -3.834 6.534 -2.426
52 HD3 LYS 7 HD3 LYS 7 -4.893 7.297 -3.585
53 HE2 LYS 7 HE2 LYS 7 -4.268 8.439 -0.771
54 HE3 LYS 7 HE3 LYS 7 -3.461 8.914 -2.260
55 HZ2 LYS 7 HZ2 LYS 7 -6.349 9.267 -1.695
56 HZ3 LYS 7 HZ3 LYS 7 -5.210 10.440 -1.659
57 H SER 8 H SER 8 -5.860 2.756 0.373
58 HA SER 8 HA SER 8 -5.870 2.745 3.207
59 HB2 SER 8 HB3 SER 8 -7.501 1.355 1.962
60 HB3 SER 8 HB2 SER 8 -6.137 0.302 1.520
61 HG SER 8 HG SER 8 -6.997 0.905 4.149
62 H PHE 9 H PHE 9 -3.888 2.708 4.442
63 HA PHE 9 HA PHE 9 -2.088 2.220 5.093
64 HB2 PHE 9 HB3 PHE 9 -2.763 -0.041 4.647
65 HB3 PHE 9 HB2 PHE 9 -1.636 -0.066 3.326
66 HD1 PHE 9 HD1 PHE 9 -0.151 -1.820 4.096
67 HD2 PHE 9 HD2 PHE 9 -1.259 1.246 6.916
68 HE1 PHE 9 HE1 PHE 9 1.229 -2.883 5.813
69 HE2 PHE 9 HE2 PHE 9 0.118 0.154 8.620
70 HZ PHE 9 HZ PHE 9 1.350 -1.919 8.085
71 H ILE 10 H ILE 10 -2.355 4.021 2.695
72 HA ILE 10 HA ILE 10 -1.197 5.706 1.748
73 HB ILE 10 HB ILE 10 0.863 5.331 3.878
74 HG12 ILE 10 HG12 ILE 10 -1.277 7.545 3.690
75 HG13 ILE 10 HG13 ILE 10 -1.572 6.025 4.530
76 HG21 ILE 10 HG21 ILE 10 1.913 6.545 1.941
77 HG22 ILE 10 HG22 ILE 10 0.573 7.713 1.927
78 HG23 ILE 10 HG23 ILE 10 1.703 7.649 3.301
79 HD11 ILE 10 HD11 ILE 10 0.344 6.478 6.115
80 HD12 ILE 10 HD12 ILE 10 0.610 8.056 5.325
81 HD13 ILE 10 HD13 ILE 10 -0.919 7.730 6.170
82 H ASN 11 H ASN 11 -0.701 4.447 -0.389
83 HA ASN 11 HA ASN 11 -0.301 2.637 -1.594
84 HB2 ASN 11 HB2 ASN 11 0.905 4.674 -2.048
85 HB3 ASN 11 HB3 ASN 11 2.153 4.174 -0.956
86 HD21 ASN 11 HD21 ASN 11 1.958 2.358 -4.699
87 HD22 ASN 11 HD22 ASN 11 0.429 2.902 -3.844
88 H ASN 12 H ASN 12 -0.865 1.251 1.072
89 HA ASN 12 HA ASN 12 0.032 -0.599 2.308
90 HB2 ASN 12 HB2 ASN 12 -0.522 -1.442 0.057
91 HB3 ASN 12 HB3 ASN 12 1.197 -1.424 -0.285
92 HD21 ASN 12 HD21 ASN 12 -0.319 -4.436 2.086
93 HD22 ASN 12 HD22 ASN 12 -1.316 -2.960 1.645
94 H LYS 13 H LYS 13 1.437 1.632 2.965
95 HA LYS 13 HA LYS 13 3.328 2.383 4.069
96 HB2 LYS 13 HB3 LYS 13 3.855 -0.598 4.379
97 HB3 LYS 13 HB2 LYS 13 5.082 0.541 4.866
98 HG2 LYS 13 HG2 LYS 13 2.231 0.890 5.931
99 HG3 LYS 13 HG3 LYS 13 3.294 -0.343 6.576
100 HD2 LYS 13 HD2 LYS 13 3.404 1.510 8.027
101 HD3 LYS 13 HD3 LYS 13 4.979 1.320 7.299
102 HE2 LYS 13 HE3 LYS 13 2.931 3.413 6.272
103 HE3 LYS 13 HE2 LYS 13 3.963 3.725 7.664
104 HZ2 LYS 13 HZ2 LYS 13 4.943 3.098 4.944
105 HZ3 LYS 13 HZ3 LYS 13 4.924 4.573 5.647
106 H HIS 14 H HIS 14 3.254 2.913 1.388
107 HA HIS 14 HA HIS 14 4.465 3.096 -0.618
108 HB2 HIS 14 HB2 HIS 14 5.582 4.581 1.154
109 HB3 HIS 14 HB3 HIS 14 6.904 3.420 1.180
110 HD2 HIS 14 HD2 HIS 14 7.989 5.914 0.388
111 HE1 HIS 14 HE2 HIS 14 7.142 5.358 -3.655
112 HE2 HIS 14 HE3 HIS 14 8.579 6.797 -2.074
113 H LEU 15 H LEU 15 3.817 0.417 -0.250
114 HA LEU 15 HA LEU 15 4.330 -1.716 -0.930
115 HB2 LEU 15 HB3 LEU 15 6.308 -0.300 -2.748
116 HB3 LEU 15 HB2 LEU 15 6.318 -2.035 -2.635
117 HG LEU 15 HG LEU 15 5.113 -1.360 -4.567
118 HD11 LEU 15 HD11 LEU 15 4.261 -3.492 -3.252
119 HD12 LEU 15 HD12 LEU 15 2.990 -2.755 -4.252
120 HD13 LEU 15 HD13 LEU 15 3.008 -2.494 -2.511
121 HD21 LEU 15 HD21 LEU 15 3.060 0.095 -2.792
122 HD22 LEU 15 HD22 LEU 15 4.264 0.843 -3.875
123 HD23 LEU 15 HD23 LEU 15 2.952 -0.148 -4.552
124 H ASN 16 H ASN 16 5.026 -1.172 1.664
125 HA ASN 16 HA ASN 16 6.437 -1.684 3.410
126 HB2 ASN 16 HB2 ASN 16 5.669 -3.871 2.517
127 HB3 ASN 16 HB3 ASN 16 7.219 -4.017 1.711
128 HD21 ASN 16 HD21 ASN 16 7.056 -4.678 5.784
129 HD22 ASN 16 HD22 ASN 16 5.673 -3.870 4.888
130 H GLU 17 H GLU 17 7.414 0.410 1.871
131 HA GLU 17 HA GLU 17 9.268 1.712 1.486
132 HB2 GLU 17 HB3 GLU 17 10.714 -0.096 3.372
133 HB3 GLU 17 HB2 GLU 17 11.363 1.418 2.774
134 HG2 GLU 17 HG3 GLU 17 9.524 2.720 3.819
135 HG3 GLU 17 HG2 GLU 17 8.687 1.252 4.307
136 HE2 GLU 17 HE2 GLU 17 10.691 0.600 7.061
137 H HIS 18 H HIS 18 8.617 0.192 -0.633
138 HA HIS 18 HA HIS 18 9.304 -0.653 -2.623
139 HB2 HIS 18 HB2 HIS 18 10.527 1.514 -2.454
140 HB3 HIS 18 HB3 HIS 18 12.019 0.647 -2.100
141 HD2 HIS 18 HD2 HIS 18 12.461 2.167 -4.450
142 HE1 HIS 18 HE2 HIS 18 11.041 -0.808 -7.000
143 HE2 HIS 18 HE3 HIS 18 12.444 1.351 -7.004
144 H ALA 19 H ALA 19 8.953 -2.764 -1.897
145 HA ALA 19 HA ALA 19 11.263 -4.597 -2.071
146 HB1 ALA 19 HB1 ALA 19 11.241 -4.123 0.382
147 HB2 ALA 19 HB2 ALA 19 9.520 -4.576 0.464
148 HB3 ALA 19 HB3 ALA 19 10.750 -5.794 0.047
149 H HIS 20 H HIS 20 8.937 -6.197 -0.931
150 HA HIS 20 HA HIS 20 7.966 -7.317 -3.422
151 HB2 HIS 20 HB3 HIS 20 8.204 -8.558 -1.194
152 HB3 HIS 20 HB2 HIS 20 6.686 -7.851 -0.684
153 HD2 HIS 20 HD2 HIS 20 6.373 -10.650 -0.547
154 HE1 HIS 20 HE2 HIS 20 5.329 -11.084 -4.556
155 HE2 HIS 20 HE3 HIS 20 5.260 -12.332 -2.305
156 HC HIS 20 HC HIS 20 5.935 -5.940 -3.841
Start of MODEL 5
1 H1 SER 1 H SER 1 -14.393 -2.591 3.734
2 HA SER 1 HA SER 1 -12.399 -4.428 2.316
3 HB2 SER 1 HB3 SER 1 -14.339 -5.445 3.695
4 HB3 SER 1 HB2 SER 1 -15.459 -4.772 2.496
5 HG SER 1 HG SER 1 -13.274 -6.523 1.992
6 H ASP 2 H ASP 2 -12.696 -1.690 1.592
7 HA ASP 2 HA ASP 2 -12.836 -1.946 -1.274
8 HB2 ASP 2 HB3 ASP 2 -15.449 -1.694 -0.638
9 HB3 ASP 2 HB2 ASP 2 -15.065 -0.059 -0.190
10 HD2 ASP 2 HD2 ASP 2 -15.015 -2.353 -2.685
11 H THR 3 H THR 3 -10.593 -1.235 -0.303
12 HA THR 3 HA THR 3 -10.206 1.554 0.107
13 HB THR 3 HB THR 3 -8.645 -1.045 0.088
14 HG1 THR 3 HG1 THR 3 -10.352 -0.981 1.613
15 HG21 THR 3 HG21 THR 3 -8.037 1.589 1.423
16 HG22 THR 3 HG22 THR 3 -7.098 0.060 1.614
17 HG23 THR 3 HG23 THR 3 -7.150 0.866 0.023
18 H ARG 4 H ARG 4 -11.221 1.059 -2.292
19 HA ARG 4 HA ARG 4 -9.323 1.216 -4.443
20 HB2 ARG 4 HB3 ARG 4 -12.138 2.556 -4.480
21 HB3 ARG 4 HB2 ARG 4 -11.189 2.227 -5.906
22 HG2 ARG 4 HG3 ARG 4 -12.448 0.143 -4.032
23 HG3 ARG 4 HG2 ARG 4 -13.030 0.599 -5.614
24 HD2 ARG 4 HD2 ARG 4 -10.373 -0.886 -5.037
25 HD3 ARG 4 HD3 ARG 4 -11.869 -1.619 -5.559
26 HH11 ARG 4 HH11 ARG 4 -7.780 0.143 -7.369
27 HH12 ARG 4 HH12 ARG 4 -8.749 -0.190 -5.847
28 HH21 ARG 4 HH21 ARG 4 -10.505 -0.170 -9.446
29 HH22 ARG 4 HH22 ARG 4 -8.708 0.153 -9.265
30 H TYR 5 H TYR 5 -10.657 3.873 -2.579
31 HA TYR 5 HA TYR 5 -9.004 5.840 -4.139
32 HB2 TYR 5 HB2 TYR 5 -11.499 6.314 -3.692
33 HB3 TYR 5 HB3 TYR 5 -11.113 6.478 -1.998
34 HD1 TYR 5 HD1 TYR 5 -10.471 8.685 -1.202
35 HD2 TYR 5 HD2 TYR 5 -10.215 7.860 -5.419
36 HE1 TYR 5 HE1 TYR 5 -10.000 11.054 -1.644
37 HE2 TYR 5 HE2 TYR 5 -9.745 10.233 -5.846
38 HH TYR 5 HH TYR 5 -9.573 12.597 -3.182
39 H ASN 6 H ASN 6 -7.896 3.844 -2.401
40 HA ASN 6 HA ASN 6 -5.999 5.511 -0.843
41 HB2 ASN 6 HB2 ASN 6 -7.938 4.451 0.486
42 HB3 ASN 6 HB3 ASN 6 -7.088 2.985 0.157
43 HD21 ASN 6 HD21 ASN 6 -5.264 5.588 2.830
44 HD22 ASN 6 HD22 ASN 6 -6.229 6.242 1.412
45 H LYS 7 H LYS 7 -6.529 2.381 -2.443
46 HA LYS 7 HA LYS 7 -5.119 0.964 -3.637
47 HB2 LYS 7 HB2 LYS 7 -2.948 3.056 -3.440
48 HB3 LYS 7 HB3 LYS 7 -2.929 1.611 -4.433
49 HG2 LYS 7 HG3 LYS 7 -4.930 3.939 -4.689
50 HG3 LYS 7 HG2 LYS 7 -3.515 3.717 -5.691
51 HD2 LYS 7 HD3 LYS 7 -5.949 1.817 -5.600
52 HD3 LYS 7 HD2 LYS 7 -5.680 3.081 -6.786
53 HE2 LYS 7 HE3 LYS 7 -3.548 1.914 -7.568
54 HE3 LYS 7 HE2 LYS 7 -3.850 0.611 -6.409
55 HZ2 LYS 7 HZ2 LYS 7 -5.691 1.399 -8.598
56 HZ3 LYS 7 HZ3 LYS 7 -5.969 0.197 -7.525
57 H SER 8 H SER 8 -5.590 -0.159 -1.363
58 HA SER 8 HA SER 8 -4.949 -1.057 0.737
59 HB2 SER 8 HB3 SER 8 -4.661 -2.685 -0.842
60 HB3 SER 8 HB2 SER 8 -3.189 -1.946 -1.456
61 HG SER 8 HG SER 8 -3.562 -3.127 1.110
62 H PHE 9 H PHE 9 -4.335 1.522 1.324
63 HA PHE 9 HA PHE 9 -3.027 2.959 2.492
64 HB2 PHE 9 HB2 PHE 9 -3.484 1.056 4.029
65 HB3 PHE 9 HB3 PHE 9 -1.856 0.506 3.702
66 HD1 PHE 9 HD1 PHE 9 -0.745 0.733 5.791
67 HD2 PHE 9 HD2 PHE 9 -3.196 4.022 4.469
68 HE1 PHE 9 HE1 PHE 9 -0.098 2.031 7.771
69 HE2 PHE 9 HE2 PHE 9 -2.514 5.307 6.443
70 HZ PHE 9 HZ PHE 9 -0.973 4.318 8.102
71 H ILE 10 H ILE 10 -2.098 2.841 -0.071
72 HA ILE 10 HA ILE 10 -0.330 3.621 -1.381
73 HB ILE 10 HB ILE 10 1.132 4.282 1.106
74 HG12 ILE 10 HG13 ILE 10 -0.407 6.238 -0.717
75 HG13 ILE 10 HG12 ILE 10 -1.203 5.428 0.627
76 HG21 ILE 10 HG21 ILE 10 1.650 5.235 -1.790
77 HG22 ILE 10 HG22 ILE 10 2.735 4.207 -0.833
78 HG23 ILE 10 HG23 ILE 10 2.471 5.876 -0.348
79 HD11 ILE 10 HD11 ILE 10 0.422 6.446 2.267
80 HD12 ILE 10 HD12 ILE 10 -0.491 7.664 1.348
81 HD13 ILE 10 HD13 ILE 10 1.204 7.333 0.932
82 H ASN 11 H ASN 11 -0.390 1.043 -1.942
83 HA ASN 11 HA ASN 11 0.466 -1.162 -1.880
84 HB2 ASN 11 HB3 ASN 11 1.287 0.029 -3.687
85 HB3 ASN 11 HB2 ASN 11 2.468 0.838 -2.719
86 HD21 ASN 11 HD21 ASN 11 3.281 -3.031 -4.014
87 HD22 ASN 11 HD22 ASN 11 1.556 -2.500 -3.687
88 H ASN 12 H ASN 12 0.073 -0.898 0.777
89 HA ASN 12 HA ASN 12 0.780 -1.442 2.909
90 HB2 ASN 12 HB3 ASN 12 0.974 -3.531 1.585
91 HB3 ASN 12 HB2 ASN 12 2.702 -3.241 1.512
92 HD21 ASN 12 HD21 ASN 12 1.093 -4.639 5.049
93 HD22 ASN 12 HD22 ASN 12 0.031 -3.939 3.726
94 H LYS 13 H LYS 13 1.697 1.079 2.332
95 HA LYS 13 HA LYS 13 3.282 2.704 2.928
96 HB2 LYS 13 HB3 LYS 13 4.154 0.666 5.016
97 HB3 LYS 13 HB2 LYS 13 4.732 2.315 4.958
98 HG2 LYS 13 HG2 LYS 13 1.746 1.625 5.314
99 HG3 LYS 13 HG3 LYS 13 2.889 1.737 6.625
100 HD2 LYS 13 HD2 LYS 13 1.920 3.801 6.736
101 HD3 LYS 13 HD3 LYS 13 3.417 4.174 5.906
102 HE2 LYS 13 HE2 LYS 13 2.180 4.356 3.709
103 HE3 LYS 13 HE3 LYS 13 0.695 3.770 4.467
104 HZ2 LYS 13 HZ2 LYS 13 0.689 5.724 5.868
105 HZ3 LYS 13 HZ3 LYS 13 0.694 6.139 4.287
106 H HIS 14 H HIS 14 3.868 1.540 0.560
107 HA HIS 14 HA HIS 14 5.498 0.872 -0.966
108 HB2 HIS 14 HB2 HIS 14 6.103 3.235 -0.173
109 HB3 HIS 14 HB3 HIS 14 7.432 2.515 0.728
110 HD2 HIS 14 HD2 HIS 14 8.574 4.332 -1.110
111 HE1 HIS 14 HE2 HIS 14 8.712 1.590 -4.243
112 HE2 HIS 14 HE3 HIS 14 9.687 3.855 -3.501
113 H LEU 15 H LEU 15 4.866 -1.256 0.687
114 HA LEU 15 HA LEU 15 5.640 -3.298 1.487
115 HB2 LEU 15 HB2 LEU 15 7.955 -2.734 -0.400
116 HB3 LEU 15 HB3 LEU 15 7.950 -4.151 0.608
117 HG LEU 15 HG LEU 15 7.264 -4.675 -1.624
118 HD11 LEU 15 HD21 LEU 15 5.164 -6.049 -1.060
119 HD12 LEU 15 HD22 LEU 15 6.215 -6.037 0.372
120 HD13 LEU 15 HD23 LEU 15 4.788 -4.999 0.304
121 HD21 LEU 15 HD11 LEU 15 6.159 -2.536 -2.271
122 HD22 LEU 15 HD12 LEU 15 4.746 -2.943 -1.266
123 HD23 LEU 15 HD13 LEU 15 5.158 -3.955 -2.667
124 H ASN 16 H ASN 16 5.772 -1.196 3.322
125 HA ASN 16 HA ASN 16 6.774 -0.431 5.264
126 HB2 ASN 16 HB2 ASN 16 6.260 -2.800 5.716
127 HB3 ASN 16 HB3 ASN 16 7.939 -3.184 5.384
128 HD21 ASN 16 HD21 ASN 16 7.026 -1.431 9.007
129 HD22 ASN 16 HD22 ASN 16 5.822 -1.448 7.623
130 H GLU 17 H GLU 17 8.002 0.554 2.982
131 HA GLU 17 HA GLU 17 9.873 1.630 2.189
132 HB2 GLU 17 HB3 GLU 17 10.944 1.431 4.971
133 HB3 GLU 17 HB2 GLU 17 11.660 2.419 3.714
134 HG2 GLU 17 HG3 GLU 17 9.596 3.801 3.511
135 HG3 GLU 17 HG2 GLU 17 8.741 2.768 4.649
136 HE2 GLU 17 HE2 GLU 17 11.225 5.008 4.204
137 H HIS 18 H HIS 18 9.702 -1.106 1.555
138 HA HIS 18 HA HIS 18 12.582 -1.888 1.202
139 HB2 HIS 18 HB2 HIS 18 10.225 -3.767 1.343
140 HB3 HIS 18 HB3 HIS 18 11.883 -4.232 1.113
141 HD2 HIS 18 HD2 HIS 18 10.523 -5.718 3.171
142 HE1 HIS 18 HE2 HIS 18 12.118 -3.298 6.160
143 HE2 HIS 18 HE3 HIS 18 10.976 -5.577 5.804
144 H ALA 19 H ALA 19 10.342 -3.403 -0.409
145 HA ALA 19 HA ALA 19 9.628 -3.649 -2.711
146 HB1 ALA 19 HB1 ALA 19 9.213 -1.671 -4.122
147 HB2 ALA 19 HB2 ALA 19 10.120 -0.633 -2.998
148 HB3 ALA 19 HB3 ALA 19 8.613 -1.423 -2.471
149 H HIS 20 H HIS 20 11.175 -5.055 -3.386
150 HA HIS 20 HA HIS 20 13.805 -4.274 -4.345
151 HB2 HIS 20 HB3 HIS 20 13.143 -6.523 -3.309
152 HB3 HIS 20 HB2 HIS 20 12.397 -6.955 -4.834
153 HD2 HIS 20 HD2 HIS 20 14.347 -8.917 -4.290
154 HE1 HIS 20 HE2 HIS 20 17.499 -6.751 -5.940
155 HE2 HIS 20 HE3 HIS 20 16.856 -9.130 -5.196
156 HC HIS 20 HC HIS 20 13.245 -3.820 -6.725
Start of MODEL 6
1 H1 SER 1 H SER 1 -13.658 -2.688 2.330
2 HA SER 1 HA SER 1 -10.671 -2.903 2.959
3 HB2 SER 1 HB2 SER 1 -12.398 -4.032 4.512
4 HB3 SER 1 HB3 SER 1 -12.787 -5.125 3.170
5 HG SER 1 HG SER 1 -11.181 -5.926 4.553
6 H ASP 2 H ASP 2 -11.598 -2.139 0.386
7 HA ASP 2 HA ASP 2 -10.042 -4.029 -1.227
8 HB2 ASP 2 HB2 ASP 2 -12.563 -5.005 -1.261
9 HB3 ASP 2 HB3 ASP 2 -12.963 -3.591 -2.200
10 HD2 ASP 2 HD2 ASP 2 -10.779 -6.642 -3.743
11 H THR 3 H THR 3 -9.050 -1.791 -0.775
12 HA THR 3 HA THR 3 -9.093 -0.232 -3.271
13 HB THR 3 HB THR 3 -10.692 0.661 -1.461
14 HG1 THR 3 HG1 THR 3 -8.663 2.289 -2.595
15 HG21 THR 3 HG21 THR 3 -9.844 2.290 0.142
16 HG22 THR 3 HG22 THR 3 -9.139 0.688 0.523
17 HG23 THR 3 HG23 THR 3 -8.178 1.935 -0.279
18 H ARG 4 H ARG 4 -7.360 -1.999 -3.222
19 HA ARG 4 HA ARG 4 -4.963 -1.629 -1.736
20 HB2 ARG 4 HB3 ARG 4 -4.955 -2.451 -4.747
21 HB3 ARG 4 HB2 ARG 4 -3.684 -2.814 -3.611
22 HG2 ARG 4 HG2 ARG 4 -6.519 -4.005 -3.621
23 HG3 ARG 4 HG3 ARG 4 -5.042 -4.789 -4.150
24 HD2 ARG 4 HD3 ARG 4 -4.142 -4.769 -1.789
25 HD3 ARG 4 HD2 ARG 4 -5.613 -3.941 -1.233
26 HH11 ARG 4 HH11 ARG 4 -6.685 -8.298 0.201
27 HH12 ARG 4 HH12 ARG 4 -7.009 -8.103 -1.595
28 HH21 ARG 4 HH21 ARG 4 -5.624 -6.826 1.289
29 HH22 ARG 4 HH22 ARG 4 -4.999 -5.312 0.461
30 H TYR 5 H TYR 5 -5.904 0.381 -4.298
31 HA TYR 5 HA TYR 5 -3.285 1.815 -4.188
32 HB2 TYR 5 HB3 TYR 5 -4.575 1.266 -6.438
33 HB3 TYR 5 HB2 TYR 5 -5.639 2.577 -6.015
34 HD1 TYR 5 HD1 TYR 5 -4.913 4.888 -6.526
35 HD2 TYR 5 HD2 TYR 5 -2.060 1.674 -6.776
36 HE1 TYR 5 HE1 TYR 5 -3.301 6.392 -7.609
37 HE2 TYR 5 HE2 TYR 5 -0.460 3.189 -7.861
38 HH TYR 5 HH TYR 5 -0.069 5.249 -8.589
39 H ASN 6 H ASN 6 -5.538 1.881 -2.179
40 HA ASN 6 HA ASN 6 -4.854 4.476 -0.968
41 HB2 ASN 6 HB2 ASN 6 -6.834 4.602 -2.602
42 HB3 ASN 6 HB3 ASN 6 -7.672 3.685 -1.409
43 HD21 ASN 6 HD21 ASN 6 -6.963 7.709 -0.678
44 HD22 ASN 6 HD22 ASN 6 -5.974 6.771 -1.907
45 H LYS 7 H LYS 7 -5.605 1.128 -0.254
46 HA LYS 7 HA LYS 7 -6.804 0.955 2.077
47 HB2 LYS 7 HB2 LYS 7 -4.177 -0.345 1.154
48 HB3 LYS 7 HB3 LYS 7 -4.790 -0.789 2.714
49 HG2 LYS 7 HG3 LYS 7 -6.097 -1.278 0.027
50 HG3 LYS 7 HG2 LYS 7 -5.419 -2.472 1.087
51 HD2 LYS 7 HD2 LYS 7 -7.948 -0.807 1.641
52 HD3 LYS 7 HD3 LYS 7 -7.955 -2.386 0.916
53 HE2 LYS 7 HE3 LYS 7 -6.889 -1.814 3.775
54 HE3 LYS 7 HE2 LYS 7 -8.539 -2.312 3.414
55 HZ2 LYS 7 HZ2 LYS 7 -7.712 -4.361 2.479
56 HZ3 LYS 7 HZ3 LYS 7 -7.222 -4.187 4.029
57 H SER 8 H SER 8 -3.551 1.458 2.111
58 HA SER 8 HA SER 8 -3.556 3.303 4.536
59 HB2 SER 8 HB2 SER 8 -2.889 0.919 4.995
60 HB3 SER 8 HB3 SER 8 -1.479 1.211 3.994
61 HG SER 8 HG SER 8 -2.194 2.715 6.283
62 H PHE 9 H PHE 9 -3.700 4.898 2.391
63 HA PHE 9 HA PHE 9 -2.982 5.812 0.382
64 HB2 PHE 9 HB3 PHE 9 -1.033 6.181 2.580
65 HB3 PHE 9 HB2 PHE 9 -0.571 6.881 1.043
66 HD1 PHE 9 HD1 PHE 9 -2.769 7.222 3.989
67 HD2 PHE 9 HD2 PHE 9 -2.023 8.712 0.016
68 HE1 PHE 9 HE1 PHE 9 -4.150 9.198 4.457
69 HE2 PHE 9 HE2 PHE 9 -3.410 10.679 0.507
70 HZ PHE 9 HZ PHE 9 -4.476 10.929 2.723
71 H ILE 10 H ILE 10 -2.987 3.277 -0.364
72 HA ILE 10 HA ILE 10 -2.255 1.949 -1.996
73 HB ILE 10 HB ILE 10 0.275 3.472 -2.361
74 HG12 ILE 10 HG13 ILE 10 -2.118 3.716 -4.226
75 HG13 ILE 10 HG12 ILE 10 -2.086 4.682 -2.762
76 HG21 ILE 10 HG21 ILE 10 -1.073 1.435 -4.246
77 HG22 ILE 10 HG22 ILE 10 0.351 2.417 -4.660
78 HG23 ILE 10 HG23 ILE 10 0.460 1.204 -3.381
79 HD11 ILE 10 HD11 ILE 10 0.101 5.746 -3.485
80 HD12 ILE 10 HD12 ILE 10 -1.199 5.995 -4.677
81 HD13 ILE 10 HD13 ILE 10 0.065 4.785 -4.989
82 H ASN 11 H ASN 11 -2.202 0.294 0.029
83 HA ASN 11 HA ASN 11 -1.086 -1.043 1.626
84 HB2 ASN 11 HB2 ASN 11 -1.328 -2.177 -0.354
85 HB3 ASN 11 HB3 ASN 11 0.024 -1.374 -1.072
86 HD21 ASN 11 HD21 ASN 11 0.816 -4.524 1.542
87 HD22 ASN 11 HD22 ASN 11 -0.579 -3.377 1.869
88 H ASN 12 H ASN 12 -0.343 1.293 2.629
89 HA ASN 12 HA ASN 12 1.180 2.436 3.854
90 HB2 ASN 12 HB2 ASN 12 1.231 0.170 4.829
91 HB3 ASN 12 HB3 ASN 12 2.741 -0.094 3.973
92 HD21 ASN 12 HD21 ASN 12 2.779 2.283 7.350
93 HD22 ASN 12 HD22 ASN 12 1.210 1.820 6.520
94 H LYS 13 H LYS 13 1.339 3.254 1.235
95 HA LYS 13 HA LYS 13 2.734 4.341 -0.308
96 HB2 LYS 13 HB3 LYS 13 4.687 4.581 2.025
97 HB3 LYS 13 HB2 LYS 13 4.842 5.419 0.500
98 HG2 LYS 13 HG2 LYS 13 2.534 5.797 2.498
99 HG3 LYS 13 HG3 LYS 13 3.931 6.838 2.360
100 HD2 LYS 13 HD3 LYS 13 1.813 6.440 0.152
101 HD3 LYS 13 HD2 LYS 13 1.851 7.759 1.310
102 HE2 LYS 13 HE2 LYS 13 4.098 8.525 0.390
103 HE3 LYS 13 HE3 LYS 13 4.044 7.224 -0.808
104 HZ2 LYS 13 HZ2 LYS 13 2.019 9.377 -0.547
105 HZ3 LYS 13 HZ3 LYS 13 1.970 8.172 -1.650
106 H HIS 14 H HIS 14 2.602 1.673 -0.755
107 HA HIS 14 HA HIS 14 3.615 -0.248 -1.580
108 HB2 HIS 14 HB2 HIS 14 4.082 1.606 -3.260
109 HB3 HIS 14 HB3 HIS 14 5.745 1.643 -2.681
110 HD2 HIS 14 HD2 HIS 14 5.843 1.027 -5.438
111 HE1 HIS 14 HE2 HIS 14 5.432 -3.077 -4.845
112 HE2 HIS 14 HE3 HIS 14 6.173 -1.359 -6.615
113 H LEU 15 H LEU 15 3.961 -0.136 1.162
114 HA LEU 15 HA LEU 15 5.321 -0.862 2.914
115 HB2 LEU 15 HB2 LEU 15 6.599 -2.495 0.700
116 HB3 LEU 15 HB3 LEU 15 7.243 -2.547 2.313
117 HG LEU 15 HG LEU 15 5.859 -4.445 1.885
118 HD11 LEU 15 HD11 LEU 15 5.908 -3.452 4.326
119 HD12 LEU 15 HD12 LEU 15 4.401 -2.597 3.985
120 HD13 LEU 15 HD13 LEU 15 4.413 -4.358 4.009
121 HD21 LEU 15 HD21 LEU 15 4.227 -3.462 0.271
122 HD22 LEU 15 HD22 LEU 15 3.405 -2.614 1.603
123 HD23 LEU 15 HD23 LEU 15 3.424 -4.391 1.562
124 H ASN 16 H ASN 16 5.790 1.766 2.080
125 HA ASN 16 HA ASN 16 7.292 3.521 2.133
126 HB2 ASN 16 HB3 ASN 16 7.338 2.591 4.421
127 HB3 ASN 16 HB2 ASN 16 8.851 1.800 4.014
128 HD21 ASN 16 HD21 ASN 16 8.899 5.857 4.763
129 HD22 ASN 16 HD22 ASN 16 7.328 4.940 4.520
130 H GLU 17 H GLU 17 7.438 2.118 -0.227
131 HA GLU 17 HA GLU 17 8.700 1.759 -2.101
132 HB2 GLU 17 HB3 GLU 17 10.778 3.489 -0.829
133 HB3 GLU 17 HB2 GLU 17 10.823 2.980 -2.505
134 HG2 GLU 17 HG3 GLU 17 8.683 4.152 -3.007
135 HG3 GLU 17 HG2 GLU 17 8.464 4.570 -1.313
136 HE2 GLU 17 HE2 GLU 17 11.019 6.613 -3.701
137 H HIS 18 H HIS 18 8.695 -0.342 -0.210
138 HA HIS 18 HA HIS 18 11.178 -1.817 -0.995
139 HB2 HIS 18 HB3 HIS 18 10.935 -1.065 1.437
140 HB3 HIS 18 HB2 HIS 18 9.647 -2.238 1.581
141 HD2 HIS 18 HD2 HIS 18 11.654 -2.960 3.442
142 HE1 HIS 18 HE2 HIS 18 13.488 -5.537 0.728
143 HE2 HIS 18 HE3 HIS 18 13.330 -5.041 3.250
144 H ALA 19 H ALA 19 8.926 -3.444 0.438
145 HA ALA 19 HA ALA 19 7.371 -5.227 -0.093
146 HB1 ALA 19 HB1 ALA 19 6.082 -3.587 -1.424
147 HB2 ALA 19 HB2 ALA 19 7.041 -3.968 -2.874
148 HB3 ALA 19 HB3 ALA 19 6.008 -5.212 -2.135
149 H HIS 20 H HIS 20 9.128 -6.636 0.235
150 HA HIS 20 HA HIS 20 10.732 -7.669 -1.969
151 HB2 HIS 20 HB3 HIS 20 11.434 -7.498 0.487
152 HB3 HIS 20 HB2 HIS 20 10.426 -8.890 0.827
153 HD2 HIS 20 HD2 HIS 20 13.046 -9.560 1.626
154 HE1 HIS 20 HE2 HIS 20 14.256 -10.816 -2.157
155 HE2 HIS 20 HE3 HIS 20 14.923 -10.955 0.326
156 HC HIS 20 HC HIS 20 9.219 -9.508 -2.687
Start of MODEL 7
1 H1 SER 1 H SER 1 -13.063 -3.561 -3.276
2 HA SER 1 HA SER 1 -13.705 -1.276 -1.338
3 HB2 SER 1 HB2 SER 1 -15.625 -2.387 -2.694
4 HB3 SER 1 HB3 SER 1 -15.335 -3.863 -1.757
5 HG SER 1 HG SER 1 -15.649 -2.602 0.136
6 H ASP 2 H ASP 2 -11.260 -2.697 -1.201
7 HA ASP 2 HA ASP 2 -11.207 -3.342 1.613
8 HB2 ASP 2 HB3 ASP 2 -12.063 -5.664 0.521
9 HB3 ASP 2 HB2 ASP 2 -10.465 -5.796 -0.151
10 HD2 ASP 2 HD2 ASP 2 -12.366 -5.793 2.592
11 H THR 3 H THR 3 -9.932 -1.465 1.015
12 HA THR 3 HA THR 3 -7.062 -2.185 0.527
13 HB THR 3 HB THR 3 -8.397 -0.896 -1.322
14 HG1 THR 3 HG1 THR 3 -5.945 0.065 -0.329
15 HG21 THR 3 HG21 THR 3 -8.400 1.521 -1.267
16 HG22 THR 3 HG22 THR 3 -7.593 1.590 0.304
17 HG23 THR 3 HG23 THR 3 -9.270 0.999 0.213
18 H ARG 4 H ARG 4 -8.170 -2.248 3.121
19 HA ARG 4 HA ARG 4 -7.477 0.250 4.422
20 HB2 ARG 4 HB2 ARG 4 -8.083 -2.540 5.739
21 HB3 ARG 4 HB3 ARG 4 -7.793 -1.093 6.664
22 HG2 ARG 4 HG3 ARG 4 -10.063 -1.104 6.710
23 HG3 ARG 4 HG2 ARG 4 -9.785 0.022 5.390
24 HD2 ARG 4 HD3 ARG 4 -10.282 -1.880 3.726
25 HD3 ARG 4 HD2 ARG 4 -10.524 -2.976 5.097
26 HH11 ARG 4 HH11 ARG 4 -13.899 -3.756 3.563
27 HH12 ARG 4 HH12 ARG 4 -12.074 -3.743 3.756
28 HH21 ARG 4 HH21 ARG 4 -14.301 -0.665 5.023
29 HH22 ARG 4 HH22 ARG 4 -15.072 -2.130 4.233
30 H TYR 5 H TYR 5 -5.314 -2.216 3.580
31 HA TYR 5 HA TYR 5 -3.319 -1.404 5.691
32 HB2 TYR 5 HB3 TYR 5 -3.542 -3.852 5.174
33 HB3 TYR 5 HB2 TYR 5 -3.201 -3.568 3.492
34 HD1 TYR 5 HD1 TYR 5 -1.579 -3.000 6.901
35 HD2 TYR 5 HD2 TYR 5 -0.948 -3.753 2.710
36 HE1 TYR 5 HE1 TYR 5 0.849 -3.112 7.275
37 HE2 TYR 5 HE2 TYR 5 1.470 -3.863 3.099
38 HH TYR 5 HH TYR 5 2.851 -3.343 6.340
39 H ASN 6 H ASN 6 -4.312 0.504 4.224
40 HA ASN 6 HA ASN 6 -4.408 2.082 2.842
41 HB2 ASN 6 HB2 ASN 6 -3.010 2.867 4.720
42 HB3 ASN 6 HB3 ASN 6 -1.671 2.502 3.679
43 HD21 ASN 6 HD21 ASN 6 -4.043 5.783 2.639
44 HD22 ASN 6 HD22 ASN 6 -4.752 4.096 2.780
45 H LYS 7 H LYS 7 -4.260 -0.091 1.208
46 HA LYS 7 HA LYS 7 -2.327 0.671 -0.806
47 HB2 LYS 7 HB2 LYS 7 -4.314 -0.346 -2.582
48 HB3 LYS 7 HB3 LYS 7 -2.635 -0.423 -2.509
49 HG2 LYS 7 HG3 LYS 7 -4.564 -2.159 -0.761
50 HG3 LYS 7 HG2 LYS 7 -3.764 -2.721 -2.213
51 HD2 LYS 7 HD2 LYS 7 -2.339 -1.927 0.409
52 HD3 LYS 7 HD3 LYS 7 -2.753 -3.563 -0.077
53 HE2 LYS 7 HE3 LYS 7 -1.234 -3.355 -2.116
54 HE3 LYS 7 HE2 LYS 7 -0.786 -1.721 -1.603
55 HZ2 LYS 7 HZ2 LYS 7 0.808 -3.315 -0.845
56 HZ3 LYS 7 HZ3 LYS 7 0.074 -2.634 0.448
57 H SER 8 H SER 8 -5.003 2.428 0.160
58 HA SER 8 HA SER 8 -5.380 4.029 -2.212
59 HB2 SER 8 HB2 SER 8 -6.932 4.321 -0.306
60 HB3 SER 8 HB3 SER 8 -5.586 4.998 0.629
61 HG SER 8 HG SER 8 -6.883 6.591 -0.341
62 H PHE 9 H PHE 9 -3.437 5.462 0.480
63 HA PHE 9 HA PHE 9 -1.496 6.642 0.434
64 HB2 PHE 9 HB3 PHE 9 -1.044 4.262 1.166
65 HB3 PHE 9 HB2 PHE 9 0.110 4.266 -0.119
66 HD1 PHE 9 HD1 PHE 9 0.531 7.608 0.847
67 HD2 PHE 9 HD2 PHE 9 0.951 3.653 2.527
68 HE1 PHE 9 HE1 PHE 9 2.023 8.481 2.574
69 HE2 PHE 9 HE2 PHE 9 2.453 4.555 4.227
70 HZ PHE 9 HZ PHE 9 2.984 6.967 4.274
71 H ILE 10 H ILE 10 -1.516 4.740 -2.306
72 HA ILE 10 HA ILE 10 -1.207 4.637 -4.303
73 HB ILE 10 HB ILE 10 1.222 6.391 -4.105
74 HG12 ILE 10 HG12 ILE 10 -1.234 6.783 -5.933
75 HG13 ILE 10 HG13 ILE 10 -1.352 7.097 -4.201
76 HG21 ILE 10 HG21 ILE 10 1.905 4.740 -5.846
77 HG22 ILE 10 HG22 ILE 10 1.569 6.297 -6.621
78 HG23 ILE 10 HG23 ILE 10 0.373 4.980 -6.721
79 HD11 ILE 10 HD11 ILE 10 -0.867 9.211 -5.444
80 HD12 ILE 10 HD12 ILE 10 0.504 8.829 -4.375
81 HD13 ILE 10 HD13 ILE 10 0.624 8.523 -6.129
82 H ASN 11 H ASN 11 -1.039 2.307 -4.668
83 HA ASN 11 HA ASN 11 -0.916 0.356 -3.572
84 HB2 ASN 11 HB3 ASN 11 0.083 0.604 -5.771
85 HB3 ASN 11 HB2 ASN 11 1.565 1.134 -5.033
86 HD21 ASN 11 HD21 ASN 11 0.687 -2.933 -4.892
87 HD22 ASN 11 HD22 ASN 11 -0.660 -1.689 -4.818
88 H ASN 12 H ASN 12 -0.721 2.172 -1.333
89 HA ASN 12 HA ASN 12 0.351 2.256 0.856
90 HB2 ASN 12 HB2 ASN 12 -0.582 0.072 0.817
91 HB3 ASN 12 HB3 ASN 12 0.945 -0.587 0.272
92 HD21 ASN 12 HD21 ASN 12 0.897 0.618 4.241
93 HD22 ASN 12 HD22 ASN 12 -0.157 1.486 3.015
94 H LYS 13 H LYS 13 1.799 3.697 -0.946
95 HA LYS 13 HA LYS 13 3.891 4.581 -1.453
96 HB2 LYS 13 HB3 LYS 13 4.220 3.716 1.416
97 HB3 LYS 13 HB2 LYS 13 5.715 3.981 0.583
98 HG2 LYS 13 HG2 LYS 13 3.430 6.016 0.609
99 HG3 LYS 13 HG3 LYS 13 4.718 5.987 1.799
100 HD2 LYS 13 HD2 LYS 13 4.981 6.570 -1.212
101 HD3 LYS 13 HD3 LYS 13 5.107 7.733 0.082
102 HE2 LYS 13 HE2 LYS 13 7.130 5.453 -0.467
103 HE3 LYS 13 HE3 LYS 13 7.314 7.131 -0.952
104 HZ2 LYS 13 HZ2 LYS 13 7.342 7.790 1.358
105 HZ3 LYS 13 HZ3 LYS 13 8.524 6.705 1.045
106 H HIS 14 H HIS 14 3.274 2.375 -2.938
107 HA HIS 14 HA HIS 14 4.099 0.502 -4.081
108 HB2 HIS 14 HB2 HIS 14 5.437 2.541 -4.844
109 HB3 HIS 14 HB3 HIS 14 6.799 1.913 -3.924
110 HD2 HIS 14 HD2 HIS 14 7.617 2.085 -6.631
111 HE1 HIS 14 HE2 HIS 14 6.168 -1.692 -7.631
112 HE2 HIS 14 HE3 HIS 14 7.765 0.144 -8.474
113 H LEU 15 H LEU 15 3.588 -0.265 -1.475
114 HA LEU 15 HA LEU 15 4.075 -1.873 0.093
115 HB2 LEU 15 HB2 LEU 15 5.814 -3.032 -2.126
116 HB3 LEU 15 HB3 LEU 15 5.814 -3.741 -0.540
117 HG LEU 15 HG LEU 15 4.396 -4.956 -2.061
118 HD11 LEU 15 HD21 LEU 15 2.686 -3.563 0.193
119 HD12 LEU 15 HD22 LEU 15 2.334 -5.142 -0.507
120 HD13 LEU 15 HD23 LEU 15 3.793 -4.905 0.481
121 HD21 LEU 15 HD11 LEU 15 3.568 -3.132 -3.522
122 HD22 LEU 15 HD12 LEU 15 2.233 -4.144 -2.924
123 HD23 LEU 15 HD13 LEU 15 2.502 -2.531 -2.227
124 H ASN 16 H ASN 16 5.106 0.631 0.643
125 HA ASN 16 HA ASN 16 6.722 1.784 1.794
126 HB2 ASN 16 HB2 ASN 16 5.876 0.103 3.407
127 HB3 ASN 16 HB3 ASN 16 7.294 -0.867 3.061
128 HD21 ASN 16 HD21 ASN 16 7.748 2.446 5.481
129 HD22 ASN 16 HD22 ASN 16 6.255 2.227 4.437
130 H GLU 17 H GLU 17 7.436 1.155 -0.835
131 HA GLU 17 HA GLU 17 9.200 1.160 -2.326
132 HB2 GLU 17 HB2 GLU 17 10.871 2.083 -0.026
133 HB3 GLU 17 HB3 GLU 17 11.414 2.080 -1.694
134 HG2 GLU 17 HG3 GLU 17 9.627 3.684 -2.364
135 HG3 GLU 17 HG2 GLU 17 8.897 3.613 -0.766
136 HE2 GLU 17 HE2 GLU 17 11.598 4.555 -2.572
137 H HIS 18 H HIS 18 8.388 -1.312 -1.732
138 HA HIS 18 HA HIS 18 8.900 -3.531 -1.760
139 HB2 HIS 18 HB3 HIS 18 10.141 -2.622 -3.727
140 HB3 HIS 18 HB2 HIS 18 11.655 -2.763 -2.837
141 HD2 HIS 18 HD2 HIS 18 11.892 -4.354 -5.170
142 HE1 HIS 18 HE2 HIS 18 10.248 -7.742 -3.386
143 HE2 HIS 18 HE3 HIS 18 11.650 -7.012 -5.419
144 H ALA 19 H ALA 19 8.611 -3.309 0.531
145 HA ALA 19 HA ALA 19 10.619 -4.710 2.130
146 HB1 ALA 19 HB1 ALA 19 11.601 -2.426 2.368
147 HB2 ALA 19 HB2 ALA 19 10.034 -1.806 2.946
148 HB3 ALA 19 HB3 ALA 19 10.932 -3.006 3.906
149 H HIS 20 H HIS 20 8.789 -3.139 4.054
150 HA HIS 20 HA HIS 20 6.928 -5.229 4.684
151 HB2 HIS 20 HB2 HIS 20 7.763 -3.384 6.265
152 HB3 HIS 20 HB3 HIS 20 6.562 -2.315 5.568
153 HD2 HIS 20 HD2 HIS 20 6.000 -2.404 8.314
154 HE1 HIS 20 HE2 HIS 20 3.777 -5.923 8.146
155 HE2 HIS 20 HE3 HIS 20 4.238 -3.898 9.668
156 HC HIS 20 HC HIS 20 4.984 -4.771 3.202
Start of MODEL 8
1 H1 SER 1 H SER 1 -13.130 -1.782 2.436
2 HA SER 1 HA SER 1 -15.941 -0.984 1.501
3 HB2 SER 1 HB2 SER 1 -15.204 -0.452 3.920
4 HB3 SER 1 HB3 SER 1 -14.006 0.667 3.246
5 HG SER 1 HG SER 1 -15.738 1.713 2.164
6 H ASP 2 H ASP 2 -13.929 -1.663 -0.334
7 HA ASP 2 HA ASP 2 -13.038 -1.048 -2.380
8 HB2 ASP 2 HB3 ASP 2 -15.499 -0.107 -2.638
9 HB3 ASP 2 HB2 ASP 2 -14.861 1.406 -2.090
10 HD2 ASP 2 HD2 ASP 2 -14.066 -0.037 -5.819
11 H THR 3 H THR 3 -11.232 -0.828 -0.733
12 HA THR 3 HA THR 3 -9.693 1.638 -1.434
13 HB THR 3 HB THR 3 -10.662 1.489 0.925
14 HG1 THR 3 HG1 THR 3 -7.865 1.712 0.602
15 HG21 THR 3 HG21 THR 3 -10.038 -0.920 1.471
16 HG22 THR 3 HG22 THR 3 -9.469 0.285 2.668
17 HG23 THR 3 HG23 THR 3 -8.326 -0.426 1.514
18 H ARG 4 H ARG 4 -9.541 -0.696 -3.020
19 HA ARG 4 HA ARG 4 -7.150 -2.135 -2.256
20 HB2 ARG 4 HB3 ARG 4 -8.321 -2.070 -5.165
21 HB3 ARG 4 HB2 ARG 4 -7.321 -3.339 -4.510
22 HG2 ARG 4 HG2 ARG 4 -10.243 -2.719 -3.789
23 HG3 ARG 4 HG3 ARG 4 -9.650 -4.062 -4.750
24 HD2 ARG 4 HD3 ARG 4 -8.531 -5.069 -2.754
25 HD3 ARG 4 HD2 ARG 4 -8.977 -3.699 -1.748
26 HH11 ARG 4 HH11 ARG 4 -12.231 -3.169 -0.164
27 HH12 ARG 4 HH12 ARG 4 -10.586 -2.853 -0.914
28 HH21 ARG 4 HH21 ARG 4 -12.691 -6.128 -1.858
29 HH22 ARG 4 HH22 ARG 4 -13.338 -4.895 -0.663
30 H TYR 5 H TYR 5 -7.207 0.871 -3.726
31 HA TYR 5 HA TYR 5 -4.494 0.505 -4.988
32 HB2 TYR 5 HB2 TYR 5 -6.364 1.712 -6.319
33 HB3 TYR 5 HB3 TYR 5 -6.303 2.995 -5.143
34 HD1 TYR 5 HD1 TYR 5 -4.192 1.123 -7.663
35 HD2 TYR 5 HD2 TYR 5 -4.617 4.757 -5.396
36 HE1 TYR 5 HE1 TYR 5 -2.382 2.156 -8.964
37 HE2 TYR 5 HE2 TYR 5 -2.806 5.775 -6.703
38 HH TYR 5 HH TYR 5 -1.144 3.970 -9.290
39 H ASN 6 H ASN 6 -4.786 0.027 -2.244
40 HA ASN 6 HA ASN 6 -4.828 0.246 -0.498
41 HB2 ASN 6 HB2 ASN 6 -2.099 0.693 -0.352
42 HB3 ASN 6 HB3 ASN 6 -3.141 -0.320 0.489
43 HD21 ASN 6 HD21 ASN 6 -2.780 -3.083 -1.845
44 HD22 ASN 6 HD22 ASN 6 -3.778 -2.352 -0.489
45 H LYS 7 H LYS 7 -6.071 2.460 -0.631
46 HA LYS 7 HA LYS 7 -4.813 4.381 1.070
47 HB2 LYS 7 HB3 LYS 7 -7.566 4.099 1.997
48 HB3 LYS 7 HB2 LYS 7 -6.461 5.458 1.913
49 HG2 LYS 7 HG3 LYS 7 -7.859 4.179 -0.525
50 HG3 LYS 7 HG2 LYS 7 -8.380 5.648 0.269
51 HD2 LYS 7 HD3 LYS 7 -5.683 5.288 -1.195
52 HD3 LYS 7 HD2 LYS 7 -7.132 6.003 -1.885
53 HE2 LYS 7 HE3 LYS 7 -7.069 7.858 -0.142
54 HE3 LYS 7 HE2 LYS 7 -5.585 7.167 0.530
55 HZ2 LYS 7 HZ2 LYS 7 -5.142 8.939 -1.029
56 HZ3 LYS 7 HZ3 LYS 7 -5.927 8.170 -2.239
57 H SER 8 H SER 8 -5.531 1.019 1.728
58 HA SER 8 HA SER 8 -5.217 0.858 4.591
59 HB2 SER 8 HB2 SER 8 -6.598 -0.763 3.430
60 HB3 SER 8 HB3 SER 8 -5.166 -1.266 2.510
61 HG SER 8 HG SER 8 -5.579 -2.580 4.313
62 H PHE 9 H PHE 9 -3.102 1.892 5.142
63 HA PHE 9 HA PHE 9 -1.298 2.303 5.274
64 HB2 PHE 9 HB3 PHE 9 -1.162 -0.405 5.058
65 HB3 PHE 9 HB2 PHE 9 0.308 0.109 4.248
66 HD1 PHE 9 HD1 PHE 9 0.580 2.629 6.478
67 HD2 PHE 9 HD2 PHE 9 0.197 -1.664 6.627
68 HE1 PHE 9 HE1 PHE 9 1.662 2.596 8.671
69 HE2 PHE 9 HE2 PHE 9 1.306 -1.668 8.814
70 HZ PHE 9 HZ PHE 9 2.035 0.455 9.846
71 H ILE 10 H ILE 10 -2.229 3.289 2.884
72 HA ILE 10 HA ILE 10 -1.686 4.906 1.399
73 HB ILE 10 HB ILE 10 0.859 5.306 2.903
74 HG12 ILE 10 HG12 ILE 10 -1.671 7.069 2.946
75 HG13 ILE 10 HG13 ILE 10 -1.431 5.738 4.076
76 HG21 ILE 10 HG21 ILE 10 1.151 6.222 0.581
77 HG22 ILE 10 HG22 ILE 10 -0.358 7.148 0.739
78 HG23 ILE 10 HG23 ILE 10 1.056 7.546 1.744
79 HD11 ILE 10 HD11 ILE 10 0.404 8.211 3.887
80 HD12 ILE 10 HD12 ILE 10 0.672 6.818 4.969
81 HD13 ILE 10 HD13 ILE 10 -0.773 7.837 5.165
82 H ASN 11 H ASN 11 -1.472 3.386 -0.587
83 HA ASN 11 HA ASN 11 -0.888 1.587 -1.772
84 HB2 ASN 11 HB2 ASN 11 -0.109 3.603 -2.695
85 HB3 ASN 11 HB3 ASN 11 1.312 3.546 -1.723
86 HD21 ASN 11 HD21 ASN 11 1.068 1.130 -5.114
87 HD22 ASN 11 HD22 ASN 11 -0.432 1.563 -4.150
88 H ASN 12 H ASN 12 -0.831 0.486 1.136
89 HA ASN 12 HA ASN 12 0.356 -1.095 2.358
90 HB2 ASN 12 HB2 ASN 12 -0.407 -2.253 0.309
91 HB3 ASN 12 HB3 ASN 12 1.236 -2.128 -0.283
92 HD21 ASN 12 HD21 ASN 12 0.392 -4.935 2.620
93 HD22 ASN 12 HD22 ASN 12 -0.792 -3.597 2.204
94 H LYS 13 H LYS 13 1.621 1.294 2.571
95 HA LYS 13 HA LYS 13 3.565 2.274 3.375
96 HB2 LYS 13 HB2 LYS 13 4.562 -0.607 3.618
97 HB3 LYS 13 HB3 LYS 13 5.587 0.750 4.009
98 HG2 LYS 13 HG3 LYS 13 2.855 0.516 5.366
99 HG3 LYS 13 HG2 LYS 13 4.179 -0.503 5.868
100 HD2 LYS 13 HD3 LYS 13 4.157 1.336 7.354
101 HD3 LYS 13 HD2 LYS 13 5.616 1.475 6.383
102 HE2 LYS 13 HE3 LYS 13 4.617 3.328 5.041
103 HE3 LYS 13 HE2 LYS 13 3.045 3.111 5.825
104 HZ2 LYS 13 HZ2 LYS 13 5.563 3.936 7.162
105 HZ3 LYS 13 HZ3 LYS 13 4.313 4.918 6.778
106 H HIS 14 H HIS 14 2.989 2.549 0.686
107 HA HIS 14 HA HIS 14 3.847 2.670 -1.507
108 HB2 HIS 14 HB2 HIS 14 5.006 4.448 -0.064
109 HB3 HIS 14 HB3 HIS 14 6.460 3.462 -0.153
110 HD2 HIS 14 HD2 HIS 14 7.074 5.974 -1.308
111 HE1 HIS 14 HE2 HIS 14 5.732 4.908 -5.108
112 HE2 HIS 14 HE3 HIS 14 7.177 6.664 -3.897
113 H LEU 15 H LEU 15 3.605 -0.021 -0.865
114 HA LEU 15 HA LEU 15 4.304 -2.138 -1.456
115 HB2 LEU 15 HB2 LEU 15 5.835 -0.650 -3.620
116 HB3 LEU 15 HB3 LEU 15 6.097 -2.352 -3.384
117 HG LEU 15 HG LEU 15 4.589 -2.019 -5.182
118 HD11 LEU 15 HD21 LEU 15 2.725 -3.629 -4.484
119 HD12 LEU 15 HD22 LEU 15 4.194 -4.107 -3.603
120 HD13 LEU 15 HD23 LEU 15 2.916 -3.204 -2.786
121 HD21 LEU 15 HD11 LEU 15 2.592 -0.669 -3.268
122 HD22 LEU 15 HD12 LEU 15 2.303 -1.087 -4.974
123 HD23 LEU 15 HD13 LEU 15 3.543 0.118 -4.556
124 H ASN 16 H ASN 16 5.243 -1.268 0.971
125 HA ASN 16 HA ASN 16 6.928 -1.417 2.540
126 HB2 ASN 16 HB3 ASN 16 6.315 -3.765 1.951
127 HB3 ASN 16 HB2 ASN 16 7.774 -3.824 0.981
128 HD21 ASN 16 HD21 ASN 16 8.135 -4.009 5.096
129 HD22 ASN 16 HD22 ASN 16 6.589 -3.423 4.301
130 H GLU 17 H GLU 17 7.452 0.606 0.725
131 HA GLU 17 HA GLU 17 9.080 2.041 -0.031
132 HB2 GLU 17 HB2 GLU 17 10.974 0.554 1.737
133 HB3 GLU 17 HB3 GLU 17 11.357 2.069 0.942
134 HG2 GLU 17 HG2 GLU 17 9.555 3.266 2.161
135 HG3 GLU 17 HG3 GLU 17 8.966 1.770 2.873
136 HE2 GLU 17 HE2 GLU 17 11.408 1.559 5.327
137 H HIS 18 H HIS 18 8.311 0.204 -1.879
138 HA HIS 18 HA HIS 18 8.809 -0.839 -3.842
139 HB2 HIS 18 HB3 HIS 18 9.514 1.569 -4.144
140 HB3 HIS 18 HB2 HIS 18 11.194 1.067 -4.021
141 HD2 HIS 18 HD2 HIS 18 10.873 2.313 -6.540
142 HE1 HIS 18 HE2 HIS 18 9.645 -1.173 -8.464
143 HE2 HIS 18 HE3 HIS 18 10.547 1.190 -8.950
144 H ALA 19 H ALA 19 9.194 -2.717 -2.452
145 HA ALA 19 HA ALA 19 10.218 -4.753 -2.009
146 HB1 ALA 19 HB1 ALA 19 11.938 -4.207 -4.494
147 HB2 ALA 19 HB2 ALA 19 11.689 -5.780 -3.702
148 HB3 ALA 19 HB3 ALA 19 10.318 -4.947 -4.462
149 H HIS 20 H HIS 20 11.043 -4.240 0.015
150 HA HIS 20 HA HIS 20 13.715 -3.169 0.427
151 HB2 HIS 20 HB2 HIS 20 11.719 -2.971 2.020
152 HB3 HIS 20 HB3 HIS 20 12.009 -4.630 2.510
153 HD2 HIS 20 HD2 HIS 20 12.180 -3.045 4.836
154 HE1 HIS 20 HE2 HIS 20 16.188 -2.050 4.286
155 HE2 HIS 20 HE3 HIS 20 14.339 -2.065 6.078
156 HC HIS 20 HC HIS 20 15.012 -5.290 0.371
Start of MODEL 9
1 H1 SER 1 H SER 1 -10.081 -5.359 1.223
2 HA SER 1 HA SER 1 -9.103 -4.275 -1.463
3 HB2 SER 1 HB3 SER 1 -9.303 -6.818 -1.086
4 HB3 SER 1 HB2 SER 1 -11.060 -6.598 -0.963
5 HG SER 1 HG SER 1 -10.973 -5.620 -3.038
6 H ASP 2 H ASP 2 -10.538 -2.646 0.396
7 HA ASP 2 HA ASP 2 -12.419 -1.407 -1.427
8 HB2 ASP 2 HB2 ASP 2 -13.920 -3.347 -0.288
9 HB3 ASP 2 HB3 ASP 2 -13.788 -2.420 1.180
10 HD2 ASP 2 HD2 ASP 2 -16.091 -1.188 -1.922
11 H THR 3 H THR 3 -10.394 -0.100 -0.836
12 HA THR 3 HA THR 3 -11.127 1.982 1.098
13 HB THR 3 HB THR 3 -9.592 0.055 2.025
14 HG1 THR 3 HG1 THR 3 -10.240 1.973 3.016
15 HG21 THR 3 HG21 THR 3 -7.172 0.629 2.021
16 HG22 THR 3 HG22 THR 3 -7.750 0.099 0.399
17 HG23 THR 3 HG23 THR 3 -7.426 1.794 0.730
18 H ARG 4 H ARG 4 -11.849 2.558 -0.981
19 HA ARG 4 HA ARG 4 -10.018 3.548 -2.947
20 HB2 ARG 4 HB2 ARG 4 -12.025 4.879 -3.968
21 HB3 ARG 4 HB3 ARG 4 -12.586 3.309 -3.514
22 HG2 ARG 4 HG3 ARG 4 -13.039 5.866 -1.866
23 HG3 ARG 4 HG2 ARG 4 -14.112 5.209 -3.084
24 HD2 ARG 4 HD3 ARG 4 -14.335 3.054 -1.710
25 HD3 ARG 4 HD2 ARG 4 -13.392 3.826 -0.422
26 HH11 ARG 4 HH11 ARG 4 -17.829 4.379 1.192
27 HH12 ARG 4 HH12 ARG 4 -17.296 5.765 0.114
28 HH21 ARG 4 HH21 ARG 4 -16.704 2.590 1.311
29 HH22 ARG 4 HH22 ARG 4 -15.163 2.381 0.337
30 H TYR 5 H TYR 5 -11.190 5.267 -0.126
31 HA TYR 5 HA TYR 5 -9.528 7.637 -0.862
32 HB2 TYR 5 HB2 TYR 5 -11.920 7.859 0.092
33 HB3 TYR 5 HB3 TYR 5 -11.303 7.292 1.624
34 HD1 TYR 5 HD1 TYR 5 -10.784 10.004 -0.987
35 HD2 TYR 5 HD2 TYR 5 -10.492 8.970 3.181
36 HE1 TYR 5 HE1 TYR 5 -10.273 12.342 -0.435
37 HE2 TYR 5 HE2 TYR 5 -9.983 11.310 3.718
38 HH TYR 5 HH TYR 5 -9.806 13.801 1.172
39 H ASN 6 H ASN 6 -8.472 5.009 -0.053
40 HA ASN 6 HA ASN 6 -6.159 5.936 1.555
41 HB2 ASN 6 HB2 ASN 6 -7.911 4.756 2.888
42 HB3 ASN 6 HB3 ASN 6 -7.491 3.357 1.999
43 HD21 ASN 6 HD21 ASN 6 -4.674 4.599 4.763
44 HD22 ASN 6 HD22 ASN 6 -5.717 5.832 3.891
45 H LYS 7 H LYS 7 -7.211 3.553 -0.862
46 HA LYS 7 HA LYS 7 -6.103 2.713 -2.746
47 HB2 LYS 7 HB2 LYS 7 -3.838 4.624 -2.185
48 HB3 LYS 7 HB3 LYS 7 -4.058 3.647 -3.625
49 HG2 LYS 7 HG2 LYS 7 -5.957 5.866 -2.646
50 HG3 LYS 7 HG3 LYS 7 -4.758 6.052 -3.905
51 HD2 LYS 7 HD3 LYS 7 -7.235 4.213 -4.049
52 HD3 LYS 7 HD2 LYS 7 -7.112 5.823 -4.734
53 HE2 LYS 7 HE3 LYS 7 -5.234 5.047 -6.273
54 HE3 LYS 7 HE2 LYS 7 -5.378 3.411 -5.613
55 HZ2 LYS 7 HZ2 LYS 7 -7.651 3.329 -6.396
56 HZ3 LYS 7 HZ3 LYS 7 -6.619 3.624 -7.630
57 H SER 8 H SER 8 -6.220 0.805 -1.049
58 HA SER 8 HA SER 8 -5.289 -0.814 0.411
59 HB2 SER 8 HB3 SER 8 -5.279 -1.711 -1.686
60 HB3 SER 8 HB2 SER 8 -3.906 -0.734 -2.188
61 HG SER 8 HG SER 8 -3.377 -2.920 -1.746
62 H PHE 9 H PHE 9 -4.552 1.353 1.865
63 HA PHE 9 HA PHE 9 -3.058 2.287 3.289
64 HB2 PHE 9 HB2 PHE 9 -3.300 -0.084 4.013
65 HB3 PHE 9 HB3 PHE 9 -1.747 -0.383 3.265
66 HD1 PHE 9 HD1 PHE 9 -2.913 2.498 5.520
67 HD2 PHE 9 HD2 PHE 9 -0.332 -0.928 5.096
68 HE1 PHE 9 HE1 PHE 9 -1.923 2.957 7.716
69 HE2 PHE 9 HE2 PHE 9 0.623 -0.461 7.309
70 HZ PHE 9 HZ PHE 9 -0.162 1.479 8.621
71 H ILE 10 H ILE 10 -2.537 3.210 0.775
72 HA ILE 10 HA ILE 10 -0.981 4.520 -0.372
73 HB ILE 10 HB ILE 10 0.854 4.237 1.934
74 HG12 ILE 10 HG13 ILE 10 -0.921 6.670 1.263
75 HG13 ILE 10 HG12 ILE 10 -1.512 5.367 2.286
76 HG21 ILE 10 HG21 ILE 10 2.139 4.993 -0.093
77 HG22 ILE 10 HG22 ILE 10 0.934 6.259 -0.405
78 HG23 ILE 10 HG23 ILE 10 1.975 6.331 1.036
79 HD11 ILE 10 HD11 ILE 10 0.938 7.118 2.953
80 HD12 ILE 10 HD12 ILE 10 -0.669 7.181 3.709
81 HD13 ILE 10 HD13 ILE 10 0.359 5.747 3.936
82 H ASN 11 H ASN 11 -1.164 2.361 -1.876
83 HA ASN 11 HA ASN 11 -0.340 0.350 -2.807
84 HB2 ASN 11 HB3 ASN 11 0.213 2.183 -4.107
85 HB3 ASN 11 HB2 ASN 11 1.538 2.610 -3.084
86 HD21 ASN 11 HD21 ASN 11 2.093 -0.407 -5.894
87 HD22 ASN 11 HD22 ASN 11 0.442 -0.117 -5.147
88 H ASN 12 H ASN 12 -0.316 -0.459 -0.232
89 HA ASN 12 HA ASN 12 0.703 -1.753 1.389
90 HB2 ASN 12 HB2 ASN 12 0.665 -3.152 -0.660
91 HB3 ASN 12 HB3 ASN 12 2.363 -2.771 -0.865
92 HD21 ASN 12 HD21 ASN 12 1.302 -5.511 2.037
93 HD22 ASN 12 HD22 ASN 12 0.057 -4.404 1.267
94 H LYS 13 H LYS 13 1.555 0.836 1.715
95 HA LYS 13 HA LYS 13 3.235 2.176 2.660
96 HB2 LYS 13 HB3 LYS 13 4.384 -0.469 3.638
97 HB3 LYS 13 HB2 LYS 13 4.972 1.098 4.142
98 HG2 LYS 13 HG2 LYS 13 2.064 0.190 4.634
99 HG3 LYS 13 HG3 LYS 13 3.394 -0.163 5.702
100 HD2 LYS 13 HD3 LYS 13 2.487 1.651 6.750
101 HD3 LYS 13 HD2 LYS 13 3.846 2.383 5.920
102 HE2 LYS 13 HE3 LYS 13 2.291 3.346 4.175
103 HE3 LYS 13 HE2 LYS 13 0.929 2.447 4.854
104 HZ2 LYS 13 HZ2 LYS 13 1.231 3.696 6.916
105 HZ3 LYS 13 HZ3 LYS 13 2.493 4.521 6.285
106 H HIS 14 H HIS 14 3.436 2.049 -0.033
107 HA HIS 14 HA HIS 14 4.807 2.097 -1.919
108 HB2 HIS 14 HB2 HIS 14 5.544 4.005 -0.397
109 HB3 HIS 14 HB3 HIS 14 6.979 3.065 -0.006
110 HD2 HIS 14 HD2 HIS 14 7.854 5.499 -1.160
111 HE1 HIS 14 HE2 HIS 14 7.656 4.066 -5.068
112 HE2 HIS 14 HE3 HIS 14 8.680 5.967 -3.666
113 H LEU 15 H LEU 15 4.399 -0.532 -1.165
114 HA LEU 15 HA LEU 15 5.260 -2.674 -1.328
115 HB2 LEU 15 HB3 LEU 15 7.255 -1.325 -3.196
116 HB3 LEU 15 HB2 LEU 15 7.401 -3.014 -2.814
117 HG LEU 15 HG LEU 15 6.345 -2.699 -4.939
118 HD11 LEU 15 HD11 LEU 15 5.637 -4.767 -3.468
119 HD12 LEU 15 HD12 LEU 15 4.362 -4.302 -4.615
120 HD13 LEU 15 HD13 LEU 15 4.225 -3.863 -2.914
121 HD21 LEU 15 HD21 LEU 15 3.936 -1.371 -3.559
122 HD22 LEU 15 HD22 LEU 15 4.097 -1.764 -5.285
123 HD23 LEU 15 HD23 LEU 15 5.162 -0.541 -4.549
124 H ASN 16 H ASN 16 5.702 -1.443 1.119
125 HA ASN 16 HA ASN 16 6.981 -1.431 3.034
126 HB2 ASN 16 HB2 ASN 16 6.491 -3.841 2.580
127 HB3 ASN 16 HB3 ASN 16 8.148 -3.986 2.020
128 HD21 ASN 16 HD21 ASN 16 7.454 -3.746 6.077
129 HD22 ASN 16 HD22 ASN 16 6.138 -3.406 4.844
130 H GLU 17 H GLU 17 7.901 0.387 1.179
131 HA GLU 17 HA GLU 17 9.666 1.750 0.639
132 HB2 GLU 17 HB3 GLU 17 11.172 0.430 2.854
133 HB3 GLU 17 HB2 GLU 17 11.720 1.867 2.014
134 HG2 GLU 17 HG2 GLU 17 9.749 3.171 2.765
135 HG3 GLU 17 HG3 GLU 17 9.001 1.745 3.471
136 HE2 GLU 17 HE2 GLU 17 10.917 1.734 6.362
137 H HIS 18 H HIS 18 9.226 -0.182 -1.194
138 HA HIS 18 HA HIS 18 10.040 -1.190 -3.015
139 HB2 HIS 18 HB2 HIS 18 11.161 1.022 -3.089
140 HB3 HIS 18 HB3 HIS 18 12.679 0.282 -2.584
141 HD2 HIS 18 HD2 HIS 18 13.135 1.511 -5.094
142 HE1 HIS 18 HE2 HIS 18 11.954 -1.835 -7.280
143 HE2 HIS 18 HE3 HIS 18 13.256 0.374 -7.519
144 H ALA 19 H ALA 19 9.981 -3.251 -2.721
145 HA ALA 19 HA ALA 19 10.663 -5.456 -2.676
146 HB1 ALA 19 HB1 ALA 19 12.702 -4.848 -3.928
147 HB2 ALA 19 HB2 ALA 19 12.988 -6.204 -2.818
148 HB3 ALA 19 HB3 ALA 19 13.595 -4.585 -2.409
149 H HIS 20 H HIS 20 9.703 -6.256 -0.939
150 HA HIS 20 HA HIS 20 10.548 -5.802 1.810
151 HB2 HIS 20 HB2 HIS 20 8.170 -6.190 0.987
152 HB3 HIS 20 HB3 HIS 20 8.540 -7.893 0.795
153 HD2 HIS 20 HD2 HIS 20 6.329 -7.659 2.560
154 HE1 HIS 20 HE2 HIS 20 8.709 -7.288 5.959
155 HE2 HIS 20 HE3 HIS 20 6.294 -7.807 5.231
156 HC HIS 20 HC HIS 20 12.116 -7.725 2.032