NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599383 |
2mz2   |
25470 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 1.800 -0.869 -1.812
3 HB2 ARG 1 2HB ARG 1 2.456 1.300 -2.900
4 HB3 ARG 1 3HB ARG 1 0.768 1.195 -2.419
5 HG2 ARG 1 2HG ARG 1 2.268 2.310 -0.268
6 HG3 ARG 1 3HG ARG 1 2.655 3.178 -1.755
7 HD2 ARG 1 2HD ARG 1 0.759 4.194 -0.592
8 HD3 ARG 1 3HD ARG 1 0.286 3.557 -2.167
9 HE ARG 1 HE ARG 1 -0.214 1.562 -0.308
10 HH11 ARG 1 1HH1 ARG 1 -1.299 4.802 -0.978
11 HH12 ARG 1 2HH1 ARG 1 -2.883 4.546 -0.323
12 HH21 ARG 1 1HH2 ARG 1 -2.295 1.213 0.556
13 HH22 ARG 1 2HH2 ARG 1 -3.448 2.505 0.550
14 H SEP 2 H SEP 2 3.335 -1.803 0.092
15 HA SEP 2 HA SEP 2 5.862 -0.283 0.217
16 HB2 SEP 2 2HB SEP 2 5.610 -1.328 2.320
17 HB3 SEP 2 3HB SEP 2 4.703 -2.677 1.684
18 H LYS 3 H LYS 3 4.379 -2.550 -1.768
19 HA LYS 3 HA LYS 3 6.779 -3.756 -2.809
20 HB2 LYS 3 2HB LYS 3 3.879 -3.832 -3.611
21 HB3 LYS 3 3HB LYS 3 5.127 -4.562 -4.612
22 HG2 LYS 3 2HG LYS 3 4.638 -5.264 -1.726
23 HG3 LYS 3 3HG LYS 3 3.987 -6.158 -3.102
24 HD2 LYS 3 2HD LYS 3 5.881 -7.308 -3.266
25 HD3 LYS 3 3HD LYS 3 6.785 -5.810 -3.497
26 HE2 LYS 3 2HE LYS 3 7.739 -6.900 -1.620
27 HE3 LYS 3 3HE LYS 3 6.787 -5.554 -0.994
28 HZ1 LYS 3 3HZ LYS 3 5.146 -7.824 -1.149
29 HZ2 LYS 3 1HZ LYS 3 5.635 -6.972 0.228
30 HZ3 LYS 3 2HZ LYS 3 6.571 -8.258 -0.346
31 H ASP 4 H ASP 4 5.256 -0.794 -3.215
32 HA ASP 4 HA ASP 4 5.773 -0.367 -5.990
33 HB2 ASP 4 2HB ASP 4 4.578 1.089 -3.813
34 HB3 ASP 4 3HB ASP 4 5.709 2.129 -4.676
35 H LEU 5 H LEU 5 7.705 -0.319 -3.172
36 HA LEU 5 HA LEU 5 9.651 1.580 -3.914
37 HB2 LEU 5 2HB LEU 5 9.212 0.277 -1.673
38 HB3 LEU 5 3HB LEU 5 10.386 -0.849 -2.351
39 HG LEU 5 HG LEU 5 11.161 2.009 -2.292
40 HD11 LEU 5 1HD1 LEU 5 9.977 1.288 -0.061
41 HD12 LEU 5 2HD1 LEU 5 11.482 2.207 -0.036
42 HD13 LEU 5 3HD1 LEU 5 11.510 0.464 0.228
43 HD21 LEU 5 3HD2 LEU 5 12.392 -0.444 -2.764
44 HD22 LEU 5 1HD2 LEU 5 12.991 0.070 -1.187
45 HD23 LEU 5 2HD2 LEU 5 13.179 1.125 -2.588
46 H ARG 6 H ARG 6 8.953 -1.534 -5.115
47 HA ARG 6 HA ARG 6 11.584 -2.198 -6.026
48 HB2 ARG 6 2HB ARG 6 8.946 -3.401 -6.066
49 HB3 ARG 6 3HB ARG 6 9.752 -3.583 -7.618
50 HG2 ARG 6 2HG ARG 6 11.628 -4.666 -6.575
51 HG3 ARG 6 3HG ARG 6 10.954 -4.365 -4.972
52 HD2 ARG 6 2HD ARG 6 9.262 -5.931 -5.251
53 HD3 ARG 6 3HD ARG 6 9.388 -5.896 -7.009
54 HE ARG 6 HE ARG 6 11.781 -6.892 -6.241
55 HH11 ARG 6 1HH1 ARG 6 8.488 -7.743 -5.498
56 HH12 ARG 6 2HH1 ARG 6 8.837 -9.424 -5.269
57 HH21 ARG 6 1HH2 ARG 6 12.253 -9.103 -5.942
58 HH22 ARG 6 2HH2 ARG 6 10.978 -10.197 -5.521
59 H HIS 7 H HIS 7 9.169 -0.069 -7.101
60 HA HIS 7 HA HIS 7 9.742 -0.180 -9.903
61 HB2 HIS 7 2HB HIS 7 8.211 1.718 -8.145
62 HB3 HIS 7 3HB HIS 7 8.518 2.103 -9.836
63 HD1 HIS 7 HD1 HIS 7 5.683 1.480 -8.485
64 HD2 HIS 7 HD2 HIS 7 7.936 -1.092 -10.845
65 HE1 HIS 7 HE1 HIS 7 4.042 -0.172 -9.434
66 H ALA 8 H ALA 8 11.289 1.203 -7.211
67 HA ALA 8 HA ALA 8 12.497 3.437 -8.524
68 HB1 ALA 8 1HB ALA 8 13.115 2.015 -5.945
69 HB2 ALA 8 2HB ALA 8 14.011 3.424 -6.513
70 HB3 ALA 8 3HB ALA 8 12.287 3.556 -6.165
71 H PHE 9 H PHE 9 13.182 0.061 -8.324
72 HA PHE 9 HA PHE 9 15.959 0.131 -8.837
73 HB2 PHE 9 2HB PHE 9 13.811 -1.931 -9.047
74 HB3 PHE 9 3HB PHE 9 15.348 -2.245 -9.846
75 HD1 PHE 9 HD1 PHE 9 14.165 -0.939 -6.553
76 HD2 PHE 9 HD2 PHE 9 16.856 -3.481 -8.654
77 HE1 PHE 9 HE1 PHE 9 15.116 -1.695 -4.413
78 HE2 PHE 9 HE2 PHE 9 17.810 -4.242 -6.518
79 HZ PHE 9 HZ PHE 9 16.940 -3.350 -4.393
80 H ARG 10 H ARG 10 13.199 0.609 -10.841
81 HA ARG 10 HA ARG 10 14.519 0.026 -13.328
82 HB2 ARG 10 2HB ARG 10 11.848 0.952 -12.473
83 HB3 ARG 10 3HB ARG 10 12.374 1.520 -14.052
84 HG2 ARG 10 2HG ARG 10 12.886 -1.302 -13.734
85 HG3 ARG 10 3HG ARG 10 11.187 -0.916 -13.457
86 HD2 ARG 10 2HD ARG 10 11.160 0.313 -15.605
87 HD3 ARG 10 3HD ARG 10 12.827 -0.192 -15.882
88 HE ARG 10 HE ARG 10 11.306 -2.481 -15.407
89 HH11 ARG 10 1HH1 ARG 10 11.577 0.051 -17.782
90 HH12 ARG 10 2HH1 ARG 10 11.032 -0.942 -19.093
91 HH21 ARG 10 1HH2 ARG 10 10.588 -3.798 -17.126
92 HH22 ARG 10 2HH2 ARG 10 10.469 -3.131 -18.719
93 H SER 11 H SER 11 14.134 2.786 -11.266
94 HA SER 11 HA SER 11 14.761 4.762 -13.233
95 HB2 SER 11 2HB SER 11 13.739 4.837 -10.683
96 HB3 SER 11 3HB SER 11 15.375 5.450 -10.445
97 HG SER 11 HG SER 11 14.314 7.230 -11.015
98 H MET 12 H MET 12 16.598 2.518 -11.446
99 HA MET 12 HA MET 12 19.037 3.982 -11.290
100 HB2 MET 12 2HB MET 12 18.081 1.364 -10.549
101 HB3 MET 12 3HB MET 12 19.646 1.237 -11.341
102 HG2 MET 12 2HG MET 12 20.385 3.092 -9.733
103 HG3 MET 12 3HG MET 12 18.925 2.695 -8.830
104 HE1 MET 12 3HE MET 12 19.280 -0.645 -9.962
105 HE2 MET 12 1HE MET 12 19.654 -1.232 -8.341
106 HE3 MET 12 2HE MET 12 18.375 -0.040 -8.573
107 H PHE 13 H PHE 13 17.423 2.304 -13.801
108 HA PHE 13 HA PHE 13 19.812 1.837 -15.372
109 HB2 PHE 13 2HB PHE 13 16.962 1.116 -15.550
110 HB3 PHE 13 3HB PHE 13 17.737 1.433 -17.099
111 HD1 PHE 13 HD1 PHE 13 19.023 -0.160 -13.987
112 HD2 PHE 13 HD2 PHE 13 18.104 -0.598 -18.120
113 HE1 PHE 13 HE1 PHE 13 19.993 -2.421 -13.960
114 HE2 PHE 13 HE2 PHE 13 19.071 -2.860 -18.099
115 HZ PHE 13 HZ PHE 13 20.016 -3.775 -16.017
116 HA PRO 14 HA PRO 14 19.802 5.551 -17.713
117 HB2 PRO 14 2HB PRO 14 20.497 4.691 -20.188
118 HB3 PRO 14 3HB PRO 14 21.627 4.708 -18.829
119 HG2 PRO 14 2HG PRO 14 20.090 2.427 -19.989
120 HG3 PRO 14 3HG PRO 14 21.751 2.462 -19.369
121 HD2 PRO 14 2HD PRO 14 19.634 1.475 -17.987
122 HD3 PRO 14 3HD PRO 14 21.093 2.130 -17.216
123 H SER 15 H SER 15 17.503 3.167 -18.305
124 HA SER 15 HA SER 15 16.233 4.435 -20.567
125 HB2 SER 15 2HB SER 15 15.115 2.491 -20.768
126 HB3 SER 15 3HB SER 15 16.178 1.879 -19.501
127 HG SER 15 HG SER 15 14.190 1.526 -18.710
128 H SER 16 H SER 16 16.422 5.192 -17.376
129 HA SER 16 HA SER 16 13.689 5.913 -16.870
130 HB2 SER 16 2HB SER 16 15.621 5.375 -15.174
131 HB3 SER 16 3HB SER 16 15.989 7.090 -15.348
132 HG SER 16 HG SER 16 13.799 7.510 -14.747
133 H GLU 17 H GLU 17 16.439 7.418 -18.331
134 HA GLU 17 HA GLU 17 15.345 10.095 -18.135
135 HB2 GLU 17 2HB GLU 17 17.336 10.830 -19.224
136 HB3 GLU 17 3HB GLU 17 17.808 9.607 -18.053
137 HG2 GLU 17 2HG GLU 17 18.982 8.743 -19.738
138 HG3 GLU 17 3HG GLU 17 17.433 8.097 -20.277
Start of MODEL 2
1 H1 ARG 1 H ARG 1 1.677 0.210 1.077
2 HA ARG 1 HA ARG 1 2.563 -1.422 -0.268
3 HB2 ARG 1 2HB ARG 1 3.190 -0.440 -2.583
4 HB3 ARG 1 3HB ARG 1 1.532 -0.287 -2.017
5 HG2 ARG 1 2HG ARG 1 3.229 1.952 -1.239
6 HG3 ARG 1 3HG ARG 1 3.084 1.744 -2.985
7 HD2 ARG 1 2HD ARG 1 0.741 1.959 -2.921
8 HD3 ARG 1 3HD ARG 1 0.689 1.733 -1.173
9 HE ARG 1 HE ARG 1 2.202 4.014 -1.687
10 HH11 ARG 1 1HH1 ARG 1 -1.076 2.905 -2.060
11 HH12 ARG 1 2HH1 ARG 1 -1.767 4.486 -1.909
12 HH21 ARG 1 1HH2 ARG 1 1.305 6.102 -1.485
13 HH22 ARG 1 2HH2 ARG 1 -0.411 6.304 -1.583
14 H SEP 2 H SEP 2 4.380 -2.220 0.757
15 HA SEP 2 HA SEP 2 6.926 -0.751 0.365
16 HB2 SEP 2 2HB SEP 2 5.900 -2.595 2.425
17 HB3 SEP 2 3HB SEP 2 7.380 -3.270 1.792
18 H LYS 3 H LYS 3 5.115 -3.231 -1.030
19 HA LYS 3 HA LYS 3 7.266 -4.672 -2.254
20 HB2 LYS 3 2HB LYS 3 5.602 -5.920 -3.371
21 HB3 LYS 3 3HB LYS 3 4.917 -5.545 -1.795
22 HG2 LYS 3 2HG LYS 3 3.795 -3.565 -2.941
23 HG3 LYS 3 3HG LYS 3 4.241 -4.347 -4.459
24 HD2 LYS 3 2HD LYS 3 2.708 -5.756 -2.285
25 HD3 LYS 3 3HD LYS 3 1.919 -4.849 -3.577
26 HE2 LYS 3 2HE LYS 3 3.952 -6.744 -4.502
27 HE3 LYS 3 3HE LYS 3 2.584 -7.497 -3.685
28 HZ1 LYS 3 3HZ LYS 3 1.990 -5.457 -5.687
29 HZ2 LYS 3 1HZ LYS 3 1.153 -6.877 -5.308
30 HZ3 LYS 3 2HZ LYS 3 2.554 -6.948 -6.252
31 H ASP 4 H ASP 4 5.736 -1.705 -2.875
32 HA ASP 4 HA ASP 4 6.209 -1.688 -5.723
33 HB2 ASP 4 2HB ASP 4 4.725 -0.106 -3.856
34 HB3 ASP 4 3HB ASP 4 5.808 0.951 -4.758
35 H LEU 5 H LEU 5 7.975 -0.947 -2.881
36 HA LEU 5 HA LEU 5 9.727 1.026 -3.840
37 HB2 LEU 5 2HB LEU 5 9.518 -0.707 -1.545
38 HB3 LEU 5 3HB LEU 5 11.193 -0.573 -2.077
39 HG LEU 5 HG LEU 5 10.544 1.042 -0.297
40 HD11 LEU 5 1HD1 LEU 5 12.446 1.545 -1.649
41 HD12 LEU 5 2HD1 LEU 5 11.514 3.029 -1.450
42 HD13 LEU 5 3HD1 LEU 5 11.425 2.128 -2.964
43 HD21 LEU 5 3HD2 LEU 5 8.986 2.477 -2.426
44 HD22 LEU 5 1HD2 LEU 5 9.052 2.807 -0.694
45 HD23 LEU 5 2HD2 LEU 5 8.217 1.371 -1.287
46 H ARG 6 H ARG 6 9.463 -2.298 -4.587
47 HA ARG 6 HA ARG 6 12.186 -2.734 -5.354
48 HB2 ARG 6 2HB ARG 6 9.644 -4.241 -5.484
49 HB3 ARG 6 3HB ARG 6 10.835 -4.641 -6.713
50 HG2 ARG 6 2HG ARG 6 11.770 -5.996 -5.232
51 HG3 ARG 6 3HG ARG 6 12.279 -4.560 -4.342
52 HD2 ARG 6 2HD ARG 6 11.101 -5.466 -2.657
53 HD3 ARG 6 3HD ARG 6 9.709 -4.804 -3.512
54 HE ARG 6 HE ARG 6 10.193 -7.321 -4.574
55 HH11 ARG 6 1HH1 ARG 6 9.299 -5.931 -1.510
56 HH12 ARG 6 2HH1 ARG 6 8.401 -7.320 -0.995
57 HH21 ARG 6 1HH2 ARG 6 9.013 -9.155 -3.907
58 HH22 ARG 6 2HH2 ARG 6 8.240 -9.154 -2.359
59 H HIS 7 H HIS 7 9.540 -1.140 -6.773
60 HA HIS 7 HA HIS 7 10.232 -1.571 -9.516
61 HB2 HIS 7 2HB HIS 7 8.042 -0.520 -8.175
62 HB3 HIS 7 3HB HIS 7 8.745 0.879 -8.981
63 HD1 HIS 7 HD1 HIS 7 7.431 1.254 -11.038
64 HD2 HIS 7 HD2 HIS 7 8.176 -2.783 -10.399
65 HE1 HIS 7 HE1 HIS 7 6.474 0.069 -13.039
66 H ALA 8 H ALA 8 11.512 0.347 -7.039
67 HA ALA 8 HA ALA 8 12.427 2.542 -8.631
68 HB1 ALA 8 1HB ALA 8 13.695 3.195 -6.679
69 HB2 ALA 8 2HB ALA 8 12.068 2.715 -6.198
70 HB3 ALA 8 3HB ALA 8 13.423 1.618 -5.939
71 H PHE 9 H PHE 9 13.335 -0.655 -8.499
72 HA PHE 9 HA PHE 9 16.169 -0.391 -8.710
73 HB2 PHE 9 2HB PHE 9 14.235 -2.534 -8.665
74 HB3 PHE 9 3HB PHE 9 15.407 -2.795 -9.953
75 HD1 PHE 9 HD2 PHE 9 17.925 -2.159 -9.113
76 HD2 PHE 9 HD1 PHE 9 14.721 -3.558 -6.685
77 HE1 PHE 9 HE2 PHE 9 19.546 -3.001 -7.465
78 HE2 PHE 9 HE1 PHE 9 16.337 -4.402 -5.033
79 HZ PHE 9 HZ PHE 9 18.753 -4.125 -5.422
80 H ARG 10 H ARG 10 13.519 -0.205 -10.936
81 HA ARG 10 HA ARG 10 15.161 -0.536 -13.288
82 HB2 ARG 10 2HB ARG 10 12.530 -0.936 -12.844
83 HB3 ARG 10 3HB ARG 10 12.474 0.684 -13.527
84 HG2 ARG 10 2HG ARG 10 14.178 -1.112 -15.047
85 HG3 ARG 10 3HG ARG 10 12.509 -1.675 -14.936
86 HD2 ARG 10 2HD ARG 10 12.667 1.171 -15.467
87 HD3 ARG 10 3HD ARG 10 13.510 0.225 -16.693
88 HE ARG 10 HE ARG 10 11.132 -1.053 -16.419
89 HH11 ARG 10 1HH1 ARG 10 12.045 2.247 -17.047
90 HH12 ARG 10 2HH1 ARG 10 10.630 2.598 -17.982
91 HH21 ARG 10 1HH2 ARG 10 9.264 -0.603 -17.648
92 HH22 ARG 10 2HH2 ARG 10 9.048 0.976 -18.323
93 H SER 11 H SER 11 14.441 1.984 -11.154
94 HA SER 11 HA SER 11 14.531 4.162 -13.002
95 HB2 SER 11 2HB SER 11 13.460 4.281 -10.741
96 HB3 SER 11 3HB SER 11 15.071 4.223 -10.024
97 HG SER 11 HG SER 11 15.502 6.203 -10.784
98 H MET 12 H MET 12 16.886 2.204 -11.434
99 HA MET 12 HA MET 12 19.058 4.026 -11.468
100 HB2 MET 12 2HB MET 12 18.608 1.331 -10.680
101 HB3 MET 12 3HB MET 12 19.992 1.344 -11.765
102 HG2 MET 12 2HG MET 12 21.301 2.150 -10.178
103 HG3 MET 12 3HG MET 12 20.204 3.499 -9.892
104 HE1 MET 12 3HE MET 12 22.190 1.867 -8.281
105 HE2 MET 12 1HE MET 12 21.452 2.207 -6.715
106 HE3 MET 12 2HE MET 12 21.584 0.543 -7.284
107 H PHE 13 H PHE 13 17.525 2.134 -13.898
108 HA PHE 13 HA PHE 13 19.785 2.207 -15.710
109 HB2 PHE 13 2HB PHE 13 17.111 0.945 -15.674
110 HB3 PHE 13 3HB PHE 13 17.715 1.402 -17.263
111 HD1 PHE 13 HD1 PHE 13 18.924 -0.294 -14.167
112 HD2 PHE 13 HD2 PHE 13 18.931 -0.157 -18.421
113 HE1 PHE 13 HE1 PHE 13 20.295 -2.336 -14.227
114 HE2 PHE 13 HE2 PHE 13 20.301 -2.199 -18.488
115 HZ PHE 13 HZ PHE 13 20.984 -3.292 -16.389
116 HA PRO 14 HA PRO 14 18.772 5.891 -17.874
117 HB2 PRO 14 2HB PRO 14 19.368 5.252 -20.439
118 HB3 PRO 14 3HB PRO 14 20.606 5.472 -19.197
119 HG2 PRO 14 2HG PRO 14 19.452 2.947 -20.297
120 HG3 PRO 14 3HG PRO 14 21.129 3.315 -19.852
121 HD2 PRO 14 2HD PRO 14 19.415 1.876 -18.310
122 HD3 PRO 14 3HD PRO 14 20.781 2.802 -17.655
123 H SER 15 H SER 15 17.051 3.018 -18.533
124 HA SER 15 HA SER 15 15.327 3.982 -20.580
125 HB2 SER 15 2HB SER 15 15.777 1.541 -19.913
126 HB3 SER 15 3HB SER 15 14.614 1.809 -18.614
127 HG SER 15 HG SER 15 13.301 2.668 -20.557
128 H SER 16 H SER 16 15.538 4.609 -17.258
129 HA SER 16 HA SER 16 12.742 5.152 -16.823
130 HB2 SER 16 2HB SER 16 13.409 5.887 -14.619
131 HB3 SER 16 3HB SER 16 14.292 4.409 -15.002
132 HG SER 16 HG SER 16 15.324 6.660 -14.235
133 H GLU 17 H GLU 17 15.337 6.799 -18.241
134 HA GLU 17 HA GLU 17 14.551 9.469 -17.573
135 HB2 GLU 17 2HB GLU 17 16.775 8.278 -18.760
136 HB3 GLU 17 3HB GLU 17 16.057 9.239 -20.045
137 HG2 GLU 17 2HG GLU 17 16.064 10.830 -17.713
138 HG3 GLU 17 3HG GLU 17 17.656 10.088 -17.853
Start of MODEL 3
1 H1 ARG 1 H ARG 1 1.983 2.024 -1.480
2 HA ARG 1 HA ARG 1 2.566 0.545 0.711
3 HB2 ARG 1 2HB ARG 1 2.223 0.006 -2.105
4 HB3 ARG 1 3HB ARG 1 3.420 -1.081 -1.412
5 HG2 ARG 1 2HG ARG 1 1.459 -2.251 -1.121
6 HG3 ARG 1 3HG ARG 1 1.651 -1.452 0.441
7 HD2 ARG 1 2HD ARG 1 0.137 0.340 -0.329
8 HD3 ARG 1 3HD ARG 1 -0.097 -0.538 -1.840
9 HE ARG 1 HE ARG 1 -0.713 -2.247 0.291
10 HH11 ARG 1 1HH1 ARG 1 -1.920 0.634 -1.247
11 HH12 ARG 1 2HH1 ARG 1 -3.572 0.325 -0.823
12 HH21 ARG 1 1HH2 ARG 1 -2.884 -2.664 0.856
13 HH22 ARG 1 2HH2 ARG 1 -4.118 -1.551 0.374
14 H SEP 2 H SEP 2 4.367 -1.168 0.953
15 HA SEP 2 HA SEP 2 6.906 0.358 0.912
16 HB2 SEP 2 2HB SEP 2 7.703 -1.162 2.637
17 HB3 SEP 2 3HB SEP 2 6.013 -0.946 3.014
18 H LYS 3 H LYS 3 5.271 -1.927 -0.915
19 HA LYS 3 HA LYS 3 7.600 -3.180 -2.076
20 HB2 LYS 3 2HB LYS 3 6.121 -4.520 -3.279
21 HB3 LYS 3 3HB LYS 3 5.237 -4.197 -1.793
22 HG2 LYS 3 2HG LYS 3 4.093 -2.317 -3.023
23 HG3 LYS 3 3HG LYS 3 4.821 -2.956 -4.498
24 HD2 LYS 3 2HD LYS 3 3.704 -5.183 -3.295
25 HD3 LYS 3 3HD LYS 3 2.524 -3.905 -2.990
26 HE2 LYS 3 2HE LYS 3 1.996 -3.688 -5.182
27 HE3 LYS 3 3HE LYS 3 3.638 -4.033 -5.722
28 HZ1 LYS 3 3HZ LYS 3 2.431 -6.316 -4.525
29 HZ2 LYS 3 1HZ LYS 3 3.117 -6.148 -6.062
30 HZ3 LYS 3 2HZ LYS 3 1.495 -5.740 -5.811
31 H ASP 4 H ASP 4 6.163 -0.212 -2.413
32 HA ASP 4 HA ASP 4 6.315 0.137 -5.239
33 HB2 ASP 4 2HB ASP 4 5.538 1.706 -2.951
34 HB3 ASP 4 3HB ASP 4 6.585 2.655 -4.002
35 H LEU 5 H LEU 5 8.625 0.134 -2.714
36 HA LEU 5 HA LEU 5 10.555 1.891 -3.758
37 HB2 LEU 5 2HB LEU 5 10.323 0.133 -1.574
38 HB3 LEU 5 3HB LEU 5 11.783 -0.341 -2.440
39 HG LEU 5 HG LEU 5 11.302 2.510 -1.634
40 HD11 LEU 5 1HD1 LEU 5 11.791 2.145 0.507
41 HD12 LEU 5 2HD1 LEU 5 13.086 1.018 0.104
42 HD13 LEU 5 3HD1 LEU 5 11.419 0.449 0.194
43 HD21 LEU 5 3HD2 LEU 5 13.948 1.153 -1.790
44 HD22 LEU 5 1HD2 LEU 5 13.520 2.835 -2.102
45 HD23 LEU 5 2HD2 LEU 5 13.125 1.591 -3.288
46 H ARG 6 H ARG 6 9.521 -1.193 -4.797
47 HA ARG 6 HA ARG 6 11.947 -1.997 -6.085
48 HB2 ARG 6 2HB ARG 6 9.176 -2.998 -5.891
49 HB3 ARG 6 3HB ARG 6 10.021 -3.408 -7.378
50 HG2 ARG 6 2HG ARG 6 11.845 -3.938 -5.338
51 HG3 ARG 6 3HG ARG 6 10.292 -4.529 -4.743
52 HD2 ARG 6 2HD ARG 6 11.052 -5.168 -7.543
53 HD3 ARG 6 3HD ARG 6 11.885 -6.023 -6.246
54 HE ARG 6 HE ARG 6 9.202 -6.429 -7.115
55 HH11 ARG 6 1HH1 ARG 6 11.287 -6.527 -4.329
56 HH12 ARG 6 2HH1 ARG 6 10.326 -7.698 -3.488
57 HH21 ARG 6 1HH2 ARG 6 7.928 -7.971 -6.019
58 HH22 ARG 6 2HH2 ARG 6 8.416 -8.520 -4.451
59 H HIS 7 H HIS 7 9.471 0.217 -6.827
60 HA HIS 7 HA HIS 7 9.618 0.062 -9.677
61 HB2 HIS 7 2HB HIS 7 7.792 1.121 -8.071
62 HB3 HIS 7 3HB HIS 7 8.764 2.571 -8.302
63 HD1 HIS 7 HD1 HIS 7 5.908 1.031 -9.649
64 HD2 HIS 7 HD2 HIS 7 9.224 2.889 -11.327
65 HE1 HIS 7 HE1 HIS 7 5.210 1.678 -11.976
66 H ALA 8 H ALA 8 11.626 1.385 -7.278
67 HA ALA 8 HA ALA 8 12.725 3.545 -8.798
68 HB1 ALA 8 1HB ALA 8 13.878 2.118 -6.403
69 HB2 ALA 8 2HB ALA 8 14.398 3.678 -7.043
70 HB3 ALA 8 3HB ALA 8 12.788 3.504 -6.344
71 H PHE 9 H PHE 9 13.195 0.151 -8.745
72 HA PHE 9 HA PHE 9 15.871 -0.068 -9.518
73 HB2 PHE 9 2HB PHE 9 13.652 -1.804 -9.235
74 HB3 PHE 9 3HB PHE 9 14.302 -2.066 -10.850
75 HD1 PHE 9 HD2 PHE 9 15.391 -1.786 -7.301
76 HD2 PHE 9 HD1 PHE 9 16.080 -3.506 -11.133
77 HE1 PHE 9 HE2 PHE 9 17.176 -3.185 -6.348
78 HE2 PHE 9 HE1 PHE 9 17.866 -4.908 -10.186
79 HZ PHE 9 HZ PHE 9 18.417 -4.748 -7.791
80 H ARG 10 H ARG 10 13.013 0.760 -11.341
81 HA ARG 10 HA ARG 10 14.256 0.451 -13.913
82 HB2 ARG 10 2HB ARG 10 11.660 0.601 -13.057
83 HB3 ARG 10 3HB ARG 10 11.903 2.203 -13.741
84 HG2 ARG 10 2HG ARG 10 12.034 1.431 -15.857
85 HG3 ARG 10 3HG ARG 10 12.837 -0.065 -15.377
86 HD2 ARG 10 2HD ARG 10 9.986 0.372 -14.617
87 HD3 ARG 10 3HD ARG 10 10.373 -0.091 -16.274
88 HE ARG 10 HE ARG 10 11.707 -1.827 -14.530
89 HH11 ARG 10 1HH1 ARG 10 8.469 -1.040 -15.536
90 HH12 ARG 10 2HH1 ARG 10 7.851 -2.632 -15.242
91 HH21 ARG 10 1HH2 ARG 10 10.906 -3.927 -14.139
92 HH22 ARG 10 2HH2 ARG 10 9.238 -4.273 -14.447
93 H SER 11 H SER 11 13.764 3.047 -11.618
94 HA SER 11 HA SER 11 14.513 5.149 -13.408
95 HB2 SER 11 2HB SER 11 13.532 4.932 -10.722
96 HB3 SER 11 3HB SER 11 14.960 5.966 -10.730
97 HG SER 11 HG SER 11 13.879 7.441 -11.772
98 H MET 12 H MET 12 16.211 2.903 -11.414
99 HA MET 12 HA MET 12 18.634 4.403 -11.181
100 HB2 MET 12 2HB MET 12 17.903 2.528 -9.653
101 HB3 MET 12 3HB MET 12 18.315 1.410 -10.946
102 HG2 MET 12 2HG MET 12 20.623 2.638 -10.860
103 HG3 MET 12 3HG MET 12 20.093 3.073 -9.236
104 HE1 MET 12 3HE MET 12 20.390 1.028 -7.076
105 HE2 MET 12 1HE MET 12 18.837 1.353 -7.847
106 HE3 MET 12 2HE MET 12 19.376 -0.311 -7.617
107 H PHE 13 H PHE 13 17.269 2.260 -13.548
108 HA PHE 13 HA PHE 13 19.771 1.820 -14.923
109 HB2 PHE 13 2HB PHE 13 16.966 0.912 -15.229
110 HB3 PHE 13 3HB PHE 13 17.924 0.994 -16.704
111 HD1 PHE 13 HD2 PHE 13 18.543 -0.100 -13.187
112 HD2 PHE 13 HD1 PHE 13 18.775 -1.030 -17.334
113 HE1 PHE 13 HE2 PHE 13 19.562 -2.272 -12.639
114 HE2 PHE 13 HE1 PHE 13 19.793 -3.204 -16.793
115 HZ PHE 13 HZ PHE 13 20.189 -3.827 -14.443
116 HA PRO 14 HA PRO 14 19.653 5.193 -17.732
117 HB2 PRO 14 2HB PRO 14 20.567 4.081 -20.028
118 HB3 PRO 14 3HB PRO 14 21.603 4.358 -18.623
119 HG2 PRO 14 2HG PRO 14 20.298 1.835 -19.547
120 HG3 PRO 14 3HG PRO 14 21.917 2.077 -18.867
121 HD2 PRO 14 2HD PRO 14 19.790 1.114 -17.473
122 HD3 PRO 14 3HD PRO 14 21.146 1.974 -16.716
123 H SER 15 H SER 15 17.583 2.566 -18.147
124 HA SER 15 HA SER 15 16.411 3.237 -20.650
125 HB2 SER 15 2HB SER 15 15.975 1.282 -18.542
126 HB3 SER 15 3HB SER 15 14.452 1.907 -19.175
127 HG SER 15 HG SER 15 16.525 1.046 -20.889
128 H SER 16 H SER 16 16.250 4.660 -17.587
129 HA SER 16 HA SER 16 13.575 5.694 -17.784
130 HB2 SER 16 2HB SER 16 14.728 5.294 -15.604
131 HB3 SER 16 3HB SER 16 15.827 6.620 -15.985
132 HG SER 16 HG SER 16 14.271 8.036 -15.630
133 H GLU 17 H GLU 17 16.626 6.562 -19.039
134 HA GLU 17 HA GLU 17 16.131 9.378 -19.284
135 HB2 GLU 17 2HB GLU 17 18.156 7.617 -20.677
136 HB3 GLU 17 3HB GLU 17 18.144 9.375 -20.713
137 HG2 GLU 17 2HG GLU 17 18.597 7.610 -18.321
138 HG3 GLU 17 3HG GLU 17 19.776 8.642 -19.129
Start of MODEL 4
1 H1 ARG 1 H ARG 1 2.551 -1.016 2.394
2 HA ARG 1 HA ARG 1 2.889 -2.300 0.532
3 HB2 ARG 1 2HB ARG 1 2.954 -0.853 -1.722
4 HB3 ARG 1 3HB ARG 1 1.453 -1.359 -0.959
5 HG2 ARG 1 2HG ARG 1 0.969 0.747 -0.192
6 HG3 ARG 1 3HG ARG 1 2.661 1.246 -0.175
7 HD2 ARG 1 2HD ARG 1 2.697 1.413 -2.568
8 HD3 ARG 1 3HD ARG 1 1.083 0.714 -2.685
9 HE ARG 1 HE ARG 1 0.738 2.935 -1.147
10 HH11 ARG 1 1HH1 ARG 1 2.105 2.325 -4.290
11 HH12 ARG 1 2HH1 ARG 1 1.686 3.883 -4.920
12 HH21 ARG 1 1HH2 ARG 1 0.180 4.990 -1.964
13 HH22 ARG 1 2HH2 ARG 1 0.591 5.399 -3.595
14 H SEP 2 H SEP 2 4.996 -2.785 1.230
15 HA SEP 2 HA SEP 2 7.161 -0.954 0.396
16 HB2 SEP 2 2HB SEP 2 6.964 -2.505 2.656
17 HB3 SEP 2 3HB SEP 2 7.770 -3.686 1.656
18 H LYS 3 H LYS 3 5.316 -3.203 -1.047
19 HA LYS 3 HA LYS 3 7.268 -4.560 -2.645
20 HB2 LYS 3 2HB LYS 3 5.502 -5.694 -3.583
21 HB3 LYS 3 3HB LYS 3 4.779 -5.200 -2.058
22 HG2 LYS 3 2HG LYS 3 3.805 -3.234 -3.238
23 HG3 LYS 3 3HG LYS 3 4.402 -3.917 -4.753
24 HD2 LYS 3 2HD LYS 3 2.959 -5.748 -4.633
25 HD3 LYS 3 3HD LYS 3 2.673 -5.528 -2.905
26 HE2 LYS 3 2HE LYS 3 1.286 -3.658 -3.272
27 HE3 LYS 3 3HE LYS 3 1.820 -3.491 -4.944
28 HZ1 LYS 3 3HZ LYS 3 0.767 -6.025 -4.756
29 HZ2 LYS 3 1HZ LYS 3 0.055 -4.684 -5.503
30 HZ3 LYS 3 2HZ LYS 3 -0.309 -5.047 -3.891
31 H ASP 4 H ASP 4 5.511 -1.574 -2.866
32 HA ASP 4 HA ASP 4 5.892 -1.166 -5.666
33 HB2 ASP 4 2HB ASP 4 4.648 0.236 -3.463
34 HB3 ASP 4 3HB ASP 4 5.593 1.346 -4.452
35 H LEU 5 H LEU 5 7.874 -0.797 -2.894
36 HA LEU 5 HA LEU 5 9.585 1.264 -3.745
37 HB2 LEU 5 2HB LEU 5 9.506 -0.713 -1.646
38 HB3 LEU 5 3HB LEU 5 11.142 -0.531 -2.275
39 HG LEU 5 HG LEU 5 10.575 0.879 -0.271
40 HD11 LEU 5 1HD1 LEU 5 12.387 1.890 -1.071
41 HD12 LEU 5 2HD1 LEU 5 11.296 3.042 -1.840
42 HD13 LEU 5 3HD1 LEU 5 11.880 1.643 -2.742
43 HD21 LEU 5 3HD2 LEU 5 9.122 2.695 -2.146
44 HD22 LEU 5 1HD2 LEU 5 9.093 2.642 -0.383
45 HD23 LEU 5 2HD2 LEU 5 8.249 1.405 -1.316
46 H ARG 6 H ARG 6 9.205 -1.942 -4.849
47 HA ARG 6 HA ARG 6 11.863 -2.328 -5.837
48 HB2 ARG 6 2HB ARG 6 9.242 -3.718 -6.380
49 HB3 ARG 6 3HB ARG 6 10.742 -4.182 -7.172
50 HG2 ARG 6 2HG ARG 6 10.540 -4.055 -4.187
51 HG3 ARG 6 3HG ARG 6 10.012 -5.477 -5.088
52 HD2 ARG 6 2HD ARG 6 12.717 -4.324 -5.603
53 HD3 ARG 6 3HD ARG 6 12.456 -5.319 -4.171
54 HE ARG 6 HE ARG 6 12.579 -6.207 -6.899
55 HH11 ARG 6 1HH1 ARG 6 11.357 -6.912 -3.716
56 HH12 ARG 6 2HH1 ARG 6 11.233 -8.617 -3.999
57 HH21 ARG 6 1HH2 ARG 6 12.421 -8.450 -7.283
58 HH22 ARG 6 2HH2 ARG 6 11.840 -9.491 -6.028
59 H HIS 7 H HIS 7 9.205 -0.498 -6.866
60 HA HIS 7 HA HIS 7 9.635 -0.636 -9.684
61 HB2 HIS 7 2HB HIS 7 8.113 1.263 -7.908
62 HB3 HIS 7 3HB HIS 7 8.239 1.517 -9.647
63 HD1 HIS 7 HD1 HIS 7 7.463 -1.606 -7.603
64 HD2 HIS 7 HD2 HIS 7 5.914 0.668 -10.715
65 HE1 HIS 7 HE1 HIS 7 5.389 -2.815 -8.351
66 H ALA 8 H ALA 8 11.267 0.905 -7.144
67 HA ALA 8 HA ALA 8 12.227 3.183 -8.586
68 HB1 ALA 8 1HB ALA 8 12.053 2.960 -6.068
69 HB2 ALA 8 2HB ALA 8 13.511 1.971 -6.154
70 HB3 ALA 8 3HB ALA 8 13.552 3.649 -6.693
71 H PHE 9 H PHE 9 13.029 -0.123 -8.554
72 HA PHE 9 HA PHE 9 15.796 0.001 -9.085
73 HB2 PHE 9 2HB PHE 9 13.940 -2.015 -8.715
74 HB3 PHE 9 3HB PHE 9 14.408 -2.208 -10.402
75 HD1 PHE 9 HD1 PHE 9 15.941 -1.702 -7.042
76 HD2 PHE 9 HD2 PHE 9 16.253 -3.487 -10.893
77 HE1 PHE 9 HE1 PHE 9 17.991 -2.864 -6.334
78 HE2 PHE 9 HE2 PHE 9 18.302 -4.652 -10.191
79 HZ PHE 9 HZ PHE 9 19.174 -4.342 -7.909
80 H ARG 10 H ARG 10 12.988 0.468 -11.077
81 HA ARG 10 HA ARG 10 14.392 0.208 -13.575
82 HB2 ARG 10 2HB ARG 10 11.649 0.576 -12.703
83 HB3 ARG 10 3HB ARG 10 12.042 1.637 -14.050
84 HG2 ARG 10 2HG ARG 10 13.084 -0.927 -14.646
85 HG3 ARG 10 3HG ARG 10 11.422 -1.131 -14.087
86 HD2 ARG 10 2HD ARG 10 12.158 0.937 -16.134
87 HD3 ARG 10 3HD ARG 10 11.808 -0.730 -16.589
88 HE ARG 10 HE ARG 10 9.920 1.276 -15.853
89 HH11 ARG 10 1HH1 ARG 10 10.551 -2.146 -15.754
90 HH12 ARG 10 2HH1 ARG 10 8.876 -2.586 -15.695
91 HH21 ARG 10 1HH2 ARG 10 7.712 0.710 -15.776
92 HH22 ARG 10 2HH2 ARG 10 7.262 -0.960 -15.708
93 H SER 11 H SER 11 13.692 2.747 -11.319
94 HA SER 11 HA SER 11 14.133 4.928 -13.105
95 HB2 SER 11 2HB SER 11 14.587 5.215 -10.166
96 HB3 SER 11 3HB SER 11 13.766 6.302 -11.286
97 HG SER 11 HG SER 11 11.951 5.266 -10.968
98 H MET 12 H MET 12 16.163 2.977 -11.027
99 HA MET 12 HA MET 12 18.452 4.686 -11.195
100 HB2 MET 12 2HB MET 12 17.753 2.642 -9.551
101 HB3 MET 12 3HB MET 12 18.878 1.821 -10.624
102 HG2 MET 12 2HG MET 12 20.564 2.643 -9.464
103 HG3 MET 12 3HG MET 12 20.066 4.273 -9.910
104 HE1 MET 12 3HE MET 12 21.359 3.066 -6.647
105 HE2 MET 12 1HE MET 12 19.968 2.228 -5.956
106 HE3 MET 12 2HE MET 12 20.629 1.709 -7.507
107 H PHE 13 H PHE 13 16.970 2.611 -13.372
108 HA PHE 13 HA PHE 13 19.389 1.762 -14.721
109 HB2 PHE 13 2HB PHE 13 16.542 1.106 -14.847
110 HB3 PHE 13 3HB PHE 13 17.292 1.220 -16.436
111 HD1 PHE 13 HD2 PHE 13 18.842 0.067 -13.272
112 HD2 PHE 13 HD1 PHE 13 17.371 -1.008 -17.119
113 HE1 PHE 13 HE2 PHE 13 19.771 -2.194 -12.992
114 HE2 PHE 13 HE1 PHE 13 18.296 -3.271 -16.845
115 HZ PHE 13 HZ PHE 13 19.499 -3.866 -14.780
116 HA PRO 14 HA PRO 14 19.682 5.011 -17.660
117 HB2 PRO 14 2HB PRO 14 20.424 3.702 -19.915
118 HB3 PRO 14 3HB PRO 14 21.499 3.897 -18.526
119 HG2 PRO 14 2HG PRO 14 19.874 1.530 -19.347
120 HG3 PRO 14 3HG PRO 14 21.515 1.588 -18.678
121 HD2 PRO 14 2HD PRO 14 19.294 0.962 -17.242
122 HD3 PRO 14 3HD PRO 14 20.756 1.667 -16.524
123 H SER 15 H SER 15 17.353 2.561 -18.075
124 HA SER 15 HA SER 15 16.225 3.546 -20.529
125 HB2 SER 15 2HB SER 15 15.698 1.339 -18.657
126 HB3 SER 15 3HB SER 15 14.249 2.021 -19.397
127 HG SER 15 HG SER 15 15.537 1.792 -21.438
128 H SER 16 H SER 16 16.267 4.742 -17.460
129 HA SER 16 HA SER 16 13.537 5.673 -17.323
130 HB2 SER 16 2HB SER 16 15.049 5.121 -15.324
131 HB3 SER 16 3HB SER 16 15.827 6.672 -15.635
132 HG SER 16 HG SER 16 13.812 7.674 -15.335
133 H GLU 17 H GLU 17 16.509 6.757 -18.657
134 HA GLU 17 HA GLU 17 15.785 9.552 -18.716
135 HB2 GLU 17 2HB GLU 17 18.170 8.155 -18.919
136 HB3 GLU 17 3HB GLU 17 17.896 8.737 -20.555
137 HG2 GLU 17 2HG GLU 17 19.220 10.341 -19.395
138 HG3 GLU 17 3HG GLU 17 17.613 11.023 -19.642
Start of MODEL 5
1 H1 ARG 1 H ARG 1 3.491 3.100 -0.523
2 HA ARG 1 HA ARG 1 3.279 1.299 0.946
3 HB2 ARG 1 2HB ARG 1 2.139 0.182 -1.454
4 HB3 ARG 1 3HB ARG 1 3.213 -0.986 -0.696
5 HG2 ARG 1 2HG ARG 1 1.817 -0.083 1.449
6 HG3 ARG 1 3HG ARG 1 0.604 0.020 0.171
7 HD2 ARG 1 2HD ARG 1 0.753 -2.276 -0.302
8 HD3 ARG 1 3HD ARG 1 2.273 -2.443 0.575
9 HE ARG 1 HE ARG 1 1.074 -2.766 2.490
10 HH11 ARG 1 1HH1 ARG 1 -0.982 -1.247 0.126
11 HH12 ARG 1 2HH1 ARG 1 -2.410 -1.366 1.100
12 HH21 ARG 1 1HH2 ARG 1 -0.799 -2.929 3.781
13 HH22 ARG 1 2HH2 ARG 1 -2.304 -2.322 3.179
14 H SEP 2 H SEP 2 4.575 -0.971 1.139
15 HA SEP 2 HA SEP 2 7.351 -0.157 0.596
16 HB2 SEP 2 2HB SEP 2 6.030 -1.820 2.615
17 HB3 SEP 2 3HB SEP 2 7.210 -2.835 1.825
18 H LYS 3 H LYS 3 4.968 -2.213 -0.732
19 HA LYS 3 HA LYS 3 6.728 -3.890 -2.240
20 HB2 LYS 3 2HB LYS 3 4.855 -5.044 -2.626
21 HB3 LYS 3 3HB LYS 3 4.000 -3.864 -1.641
22 HG2 LYS 3 2HG LYS 3 3.628 -2.511 -3.693
23 HG3 LYS 3 3HG LYS 3 4.343 -3.825 -4.631
24 HD2 LYS 3 2HD LYS 3 2.604 -5.330 -3.975
25 HD3 LYS 3 3HD LYS 3 1.966 -4.169 -2.808
26 HE2 LYS 3 2HE LYS 3 2.142 -3.468 -5.713
27 HE3 LYS 3 3HE LYS 3 0.800 -4.439 -5.110
28 HZ1 LYS 3 3HZ LYS 3 0.031 -2.709 -3.801
29 HZ2 LYS 3 1HZ LYS 3 0.533 -1.908 -5.204
30 HZ3 LYS 3 2HZ LYS 3 1.506 -1.882 -3.821
31 H ASP 4 H ASP 4 5.194 -0.801 -2.740
32 HA ASP 4 HA ASP 4 5.646 -0.714 -5.569
33 HB2 ASP 4 2HB ASP 4 4.341 0.920 -3.588
34 HB3 ASP 4 3HB ASP 4 5.389 1.918 -4.592
35 H LEU 5 H LEU 5 7.556 -0.148 -2.789
36 HA LEU 5 HA LEU 5 9.353 1.783 -3.760
37 HB2 LEU 5 2HB LEU 5 9.093 0.118 -1.471
38 HB3 LEU 5 3HB LEU 5 10.738 -0.044 -2.084
39 HG LEU 5 HG LEU 5 10.513 1.672 -0.322
40 HD11 LEU 5 1HD1 LEU 5 11.493 2.243 -3.058
41 HD12 LEU 5 2HD1 LEU 5 12.371 2.157 -1.531
42 HD13 LEU 5 3HD1 LEU 5 11.422 3.591 -1.922
43 HD21 LEU 5 3HD2 LEU 5 8.160 2.319 -1.344
44 HD22 LEU 5 1HD2 LEU 5 9.139 3.492 -2.226
45 HD23 LEU 5 2HD2 LEU 5 9.143 3.490 -0.462
46 H ARG 6 H ARG 6 8.911 -1.502 -4.587
47 HA ARG 6 HA ARG 6 11.579 -2.041 -5.467
48 HB2 ARG 6 2HB ARG 6 9.601 -3.675 -4.859
49 HB3 ARG 6 3HB ARG 6 9.213 -3.500 -6.565
50 HG2 ARG 6 2HG ARG 6 11.731 -4.086 -6.908
51 HG3 ARG 6 3HG ARG 6 11.589 -4.758 -5.282
52 HD2 ARG 6 2HD ARG 6 9.812 -6.219 -5.985
53 HD3 ARG 6 3HD ARG 6 9.767 -5.462 -7.577
54 HE ARG 6 HE ARG 6 11.529 -6.776 -8.204
55 HH11 ARG 6 1HH1 ARG 6 11.320 -6.750 -4.729
56 HH12 ARG 6 2HH1 ARG 6 12.541 -7.960 -4.516
57 HH21 ARG 6 1HH2 ARG 6 13.138 -8.370 -7.937
58 HH22 ARG 6 2HH2 ARG 6 13.575 -8.880 -6.342
59 H HIS 7 H HIS 7 9.003 -0.236 -6.726
60 HA HIS 7 HA HIS 7 9.544 -0.626 -9.510
61 HB2 HIS 7 2HB HIS 7 7.352 0.181 -8.479
62 HB3 HIS 7 3HB HIS 7 8.135 1.747 -8.292
63 HD1 HIS 7 HD1 HIS 7 7.251 -0.711 -11.047
64 HD2 HIS 7 HD2 HIS 7 7.976 3.341 -10.488
65 HE1 HIS 7 HE1 HIS 7 6.736 0.375 -13.256
66 H ALA 8 H ALA 8 11.035 1.146 -7.029
67 HA ALA 8 HA ALA 8 12.055 3.299 -8.614
68 HB1 ALA 8 1HB ALA 8 13.456 2.463 -6.136
69 HB2 ALA 8 2HB ALA 8 13.008 4.074 -6.698
70 HB3 ALA 8 3HB ALA 8 11.787 3.015 -5.991
71 H PHE 9 H PHE 9 12.745 0.045 -8.551
72 HA PHE 9 HA PHE 9 15.587 0.146 -8.866
73 HB2 PHE 9 2HB PHE 9 13.479 -1.947 -9.091
74 HB3 PHE 9 3HB PHE 9 15.019 -2.247 -9.891
75 HD1 PHE 9 HD2 PHE 9 17.141 -1.971 -8.449
76 HD2 PHE 9 HD1 PHE 9 13.225 -2.432 -6.846
77 HE1 PHE 9 HE2 PHE 9 18.107 -2.711 -6.311
78 HE2 PHE 9 HE1 PHE 9 14.185 -3.172 -4.705
79 HZ PHE 9 HZ PHE 9 16.629 -3.313 -4.436
80 H ARG 10 H ARG 10 12.890 0.617 -10.938
81 HA ARG 10 HA ARG 10 14.277 0.020 -13.389
82 HB2 ARG 10 2HB ARG 10 11.617 0.300 -12.664
83 HB3 ARG 10 3HB ARG 10 11.928 1.731 -13.638
84 HG2 ARG 10 2HG ARG 10 12.962 0.068 -15.325
85 HG3 ARG 10 3HG ARG 10 12.060 -1.149 -14.419
86 HD2 ARG 10 2HD ARG 10 10.187 -0.590 -15.472
87 HD3 ARG 10 3HD ARG 10 10.357 1.082 -14.939
88 HE ARG 10 HE ARG 10 11.000 1.615 -17.056
89 HH11 ARG 10 1HH1 ARG 10 11.576 -1.782 -16.555
90 HH12 ARG 10 2HH1 ARG 10 12.082 -2.070 -18.186
91 HH21 ARG 10 1HH2 ARG 10 11.665 1.249 -19.207
92 HH22 ARG 10 2HH2 ARG 10 12.134 -0.345 -19.694
93 H SER 11 H SER 11 13.695 2.825 -11.401
94 HA SER 11 HA SER 11 14.363 4.794 -13.330
95 HB2 SER 11 2HB SER 11 13.508 6.042 -11.674
96 HB3 SER 11 3HB SER 11 13.675 4.716 -10.524
97 HG SER 11 HG SER 11 15.365 6.865 -11.027
98 H MET 12 H MET 12 16.235 2.764 -11.210
99 HA MET 12 HA MET 12 18.656 4.251 -11.344
100 HB2 MET 12 2HB MET 12 17.757 2.073 -9.902
101 HB3 MET 12 3HB MET 12 18.971 1.371 -10.963
102 HG2 MET 12 2HG MET 12 20.522 3.209 -10.175
103 HG3 MET 12 3HG MET 12 19.319 3.552 -8.934
104 HE1 MET 12 3HE MET 12 21.220 0.429 -10.525
105 HE2 MET 12 1HE MET 12 22.372 1.610 -9.901
106 HE3 MET 12 2HE MET 12 22.220 0.033 -9.126
107 H PHE 13 H PHE 13 17.035 2.219 -13.546
108 HA PHE 13 HA PHE 13 19.373 1.357 -14.989
109 HB2 PHE 13 2HB PHE 13 16.517 0.834 -15.064
110 HB3 PHE 13 3HB PHE 13 17.172 1.072 -16.680
111 HD1 PHE 13 HD1 PHE 13 18.738 -0.470 -13.681
112 HD2 PHE 13 HD2 PHE 13 17.251 -1.036 -17.629
113 HE1 PHE 13 HE1 PHE 13 19.592 -2.777 -13.669
114 HE2 PHE 13 HE2 PHE 13 18.102 -3.345 -17.623
115 HZ PHE 13 HZ PHE 13 19.274 -4.218 -15.641
116 HA PRO 14 HA PRO 14 19.849 4.709 -17.784
117 HB2 PRO 14 2HB PRO 14 20.488 3.459 -20.102
118 HB3 PRO 14 3HB PRO 14 21.585 3.523 -18.717
119 HG2 PRO 14 2HG PRO 14 19.802 1.303 -19.623
120 HG3 PRO 14 3HG PRO 14 21.451 1.226 -18.976
121 HD2 PRO 14 2HD PRO 14 19.206 0.678 -17.542
122 HD3 PRO 14 3HD PRO 14 20.716 1.257 -16.809
123 H SER 15 H SER 15 17.306 2.532 -18.164
124 HA SER 15 HA SER 15 16.236 3.442 -20.640
125 HB2 SER 15 2HB SER 15 15.656 1.388 -18.851
126 HB3 SER 15 3HB SER 15 14.239 2.435 -18.776
127 HG SER 15 HG SER 15 14.039 0.891 -20.437
128 H SER 16 H SER 16 16.414 4.835 -17.569
129 HA SER 16 HA SER 16 13.981 6.386 -17.772
130 HB2 SER 16 2HB SER 16 14.827 5.672 -15.568
131 HB3 SER 16 3HB SER 16 16.289 6.625 -15.825
132 HG SER 16 HG SER 16 14.935 7.904 -14.658
133 H GLU 17 H GLU 17 17.304 6.697 -18.658
134 HA GLU 17 HA GLU 17 17.260 9.567 -18.897
135 HB2 GLU 17 2HB GLU 17 19.472 9.295 -18.904
136 HB3 GLU 17 3HB GLU 17 19.242 7.552 -18.876
137 HG2 GLU 17 2HG GLU 17 19.170 7.529 -21.323
138 HG3 GLU 17 3HG GLU 17 19.431 9.272 -21.339
Start of MODEL 6
1 H1 ARG 1 H ARG 1 2.776 2.882 1.088
2 HA ARG 1 HA ARG 1 2.775 0.563 1.394
3 HB2 ARG 1 2HB ARG 1 2.476 -0.959 -0.524
4 HB3 ARG 1 3HB ARG 1 1.149 0.185 -0.372
5 HG2 ARG 1 2HG ARG 1 3.027 1.392 -2.071
6 HG3 ARG 1 3HG ARG 1 2.889 -0.289 -2.591
7 HD2 ARG 1 2HD ARG 1 0.353 1.082 -1.975
8 HD3 ARG 1 3HD ARG 1 1.224 1.679 -3.387
9 HE ARG 1 HE ARG 1 0.997 -1.169 -3.371
10 HH11 ARG 1 1HH1 ARG 1 -0.686 1.786 -4.117
11 HH12 ARG 1 2HH1 ARG 1 -1.724 1.052 -5.293
12 HH21 ARG 1 1HH2 ARG 1 -0.364 -2.148 -4.918
13 HH22 ARG 1 2HH2 ARG 1 -1.540 -1.186 -5.748
14 H SEP 2 H SEP 2 4.489 -0.993 1.302
15 HA SEP 2 HA SEP 2 7.007 0.282 0.391
16 HB2 SEP 2 2HB SEP 2 8.019 -1.845 1.701
17 HB3 SEP 2 3HB SEP 2 7.341 -0.521 2.612
18 H LYS 3 H LYS 3 4.707 -1.629 -0.883
19 HA LYS 3 HA LYS 3 6.286 -3.516 -2.337
20 HB2 LYS 3 2HB LYS 3 3.474 -2.818 -2.086
21 HB3 LYS 3 3HB LYS 3 3.915 -3.160 -3.754
22 HG2 LYS 3 2HG LYS 3 5.065 -5.138 -2.037
23 HG3 LYS 3 3HG LYS 3 3.336 -4.990 -1.709
24 HD2 LYS 3 2HD LYS 3 2.790 -5.416 -3.991
25 HD3 LYS 3 3HD LYS 3 4.482 -5.289 -4.480
26 HE2 LYS 3 2HE LYS 3 4.754 -7.464 -4.131
27 HE3 LYS 3 3HE LYS 3 4.291 -7.260 -2.442
28 HZ1 LYS 3 3HZ LYS 3 2.934 -8.860 -3.857
29 HZ2 LYS 3 1HZ LYS 3 2.259 -7.485 -4.574
30 HZ3 LYS 3 2HZ LYS 3 2.079 -7.747 -2.913
31 H ASP 4 H ASP 4 5.295 -0.224 -2.833
32 HA ASP 4 HA ASP 4 5.846 -0.175 -5.648
33 HB2 ASP 4 2HB ASP 4 4.755 1.623 -3.680
34 HB3 ASP 4 3HB ASP 4 5.984 2.451 -4.632
35 H LEU 5 H LEU 5 7.724 0.029 -2.800
36 HA LEU 5 HA LEU 5 9.837 1.668 -3.632
37 HB2 LEU 5 2HB LEU 5 9.226 0.111 -1.406
38 HB3 LEU 5 3HB LEU 5 10.732 -0.563 -2.024
39 HG LEU 5 HG LEU 5 10.253 2.291 -1.169
40 HD11 LEU 5 1HD1 LEU 5 12.398 0.952 0.157
41 HD12 LEU 5 2HD1 LEU 5 10.933 -0.019 0.293
42 HD13 LEU 5 3HD1 LEU 5 10.933 1.657 0.841
43 HD21 LEU 5 3HD2 LEU 5 12.583 0.953 -2.505
44 HD22 LEU 5 1HD2 LEU 5 12.794 2.379 -1.488
45 HD23 LEU 5 2HD2 LEU 5 11.780 2.466 -2.929
46 H ARG 6 H ARG 6 8.922 -1.484 -4.619
47 HA ARG 6 HA ARG 6 11.497 -2.358 -5.507
48 HB2 ARG 6 2HB ARG 6 8.727 -3.358 -5.613
49 HB3 ARG 6 3HB ARG 6 9.739 -3.840 -6.968
50 HG2 ARG 6 2HG ARG 6 11.429 -4.455 -5.039
51 HG3 ARG 6 3HG ARG 6 9.942 -4.555 -4.095
52 HD2 ARG 6 2HD ARG 6 9.039 -6.052 -5.922
53 HD3 ARG 6 3HD ARG 6 10.679 -6.105 -6.567
54 HE ARG 6 HE ARG 6 9.680 -7.525 -4.302
55 HH11 ARG 6 1HH1 ARG 6 12.524 -6.045 -5.659
56 HH12 ARG 6 2HH1 ARG 6 13.626 -7.056 -4.784
57 HH21 ARG 6 1HH2 ARG 6 11.121 -8.862 -3.145
58 HH22 ARG 6 2HH2 ARG 6 12.827 -8.659 -3.355
59 H HIS 7 H HIS 7 9.088 -0.271 -6.760
60 HA HIS 7 HA HIS 7 9.723 -0.583 -9.532
61 HB2 HIS 7 2HB HIS 7 7.905 0.692 -9.830
62 HB3 HIS 7 3HB HIS 7 7.706 0.676 -8.080
63 HD1 HIS 7 HD1 HIS 7 9.048 2.816 -10.868
64 HD2 HIS 7 HD2 HIS 7 8.203 3.081 -6.809
65 HE1 HIS 7 HE1 HIS 7 9.249 5.257 -10.298
66 H ALA 8 H ALA 8 11.208 1.005 -6.920
67 HA ALA 8 HA ALA 8 12.420 3.161 -8.334
68 HB1 ALA 8 1HB ALA 8 13.897 3.317 -6.348
69 HB2 ALA 8 2HB ALA 8 12.180 3.298 -5.947
70 HB3 ALA 8 3HB ALA 8 13.153 1.844 -5.724
71 H PHE 9 H PHE 9 12.948 -0.163 -8.375
72 HA PHE 9 HA PHE 9 15.778 -0.190 -8.726
73 HB2 PHE 9 2HB PHE 9 13.572 -2.134 -8.867
74 HB3 PHE 9 3HB PHE 9 14.919 -2.480 -9.947
75 HD1 PHE 9 HD2 PHE 9 14.278 -1.520 -6.401
76 HD2 PHE 9 HD1 PHE 9 16.669 -3.729 -9.144
77 HE1 PHE 9 HE2 PHE 9 15.530 -2.492 -4.520
78 HE2 PHE 9 HE1 PHE 9 17.925 -4.706 -7.267
79 HZ PHE 9 HZ PHE 9 17.357 -4.087 -4.952
80 H ARG 10 H ARG 10 13.235 0.809 -10.693
81 HA ARG 10 HA ARG 10 14.513 0.149 -13.211
82 HB2 ARG 10 2HB ARG 10 11.930 0.403 -12.602
83 HB3 ARG 10 3HB ARG 10 12.242 2.070 -13.068
84 HG2 ARG 10 2HG ARG 10 11.495 1.072 -15.026
85 HG3 ARG 10 3HG ARG 10 13.251 1.080 -15.205
86 HD2 ARG 10 2HD ARG 10 13.318 -1.252 -14.417
87 HD3 ARG 10 3HD ARG 10 11.559 -1.249 -14.304
88 HE ARG 10 HE ARG 10 13.115 -1.610 -16.658
89 HH11 ARG 10 1HH1 ARG 10 10.128 -0.271 -15.475
90 HH12 ARG 10 2HH1 ARG 10 9.302 -0.437 -16.989
91 HH21 ARG 10 1HH2 ARG 10 12.039 -1.834 -18.657
92 HH22 ARG 10 2HH2 ARG 10 10.390 -1.327 -18.798
93 H SER 11 H SER 11 14.344 2.800 -10.992
94 HA SER 11 HA SER 11 14.992 4.932 -12.685
95 HB2 SER 11 2HB SER 11 14.274 5.438 -10.469
96 HB3 SER 11 3HB SER 11 15.552 4.454 -9.756
97 HG SER 11 HG SER 11 17.041 5.969 -10.318
98 H MET 12 H MET 12 16.933 2.366 -11.384
99 HA MET 12 HA MET 12 19.472 3.586 -11.758
100 HB2 MET 12 2HB MET 12 18.447 1.032 -10.887
101 HB3 MET 12 3HB MET 12 19.798 0.806 -11.989
102 HG2 MET 12 2HG MET 12 21.141 2.337 -10.586
103 HG3 MET 12 3HG MET 12 19.796 2.418 -9.450
104 HE1 MET 12 3HE MET 12 22.919 1.533 -9.084
105 HE2 MET 12 1HE MET 12 21.900 1.614 -7.646
106 HE3 MET 12 2HE MET 12 22.830 0.154 -7.987
107 H PHE 13 H PHE 13 17.262 1.915 -13.848
108 HA PHE 13 HA PHE 13 19.182 1.368 -15.912
109 HB2 PHE 13 2HB PHE 13 16.257 1.025 -15.551
110 HB3 PHE 13 3HB PHE 13 16.833 1.169 -17.209
111 HD1 PHE 13 HD1 PHE 13 18.543 -0.423 -14.329
112 HD2 PHE 13 HD2 PHE 13 16.544 -0.987 -18.045
113 HE1 PHE 13 HE1 PHE 13 19.182 -2.799 -14.308
114 HE2 PHE 13 HE2 PHE 13 17.179 -3.364 -18.029
115 HZ PHE 13 HZ PHE 13 18.498 -4.273 -16.159
116 HA PRO 14 HA PRO 14 19.081 5.135 -18.166
117 HB2 PRO 14 2HB PRO 14 19.149 4.285 -20.738
118 HB3 PRO 14 3HB PRO 14 20.533 4.143 -19.648
119 HG2 PRO 14 2HG PRO 14 18.551 2.069 -20.476
120 HG3 PRO 14 3HG PRO 14 20.299 1.915 -20.226
121 HD2 PRO 14 2HD PRO 14 18.425 1.107 -18.434
122 HD3 PRO 14 3HD PRO 14 20.074 1.585 -17.982
123 H SER 15 H SER 15 16.513 2.902 -18.497
124 HA SER 15 HA SER 15 14.934 4.373 -20.370
125 HB2 SER 15 2HB SER 15 14.816 1.835 -19.295
126 HB3 SER 15 3HB SER 15 13.453 2.646 -18.524
127 HG SER 15 HG SER 15 12.435 2.501 -20.343
128 H SER 16 H SER 16 15.759 4.928 -17.179
129 HA SER 16 HA SER 16 13.299 6.029 -16.230
130 HB2 SER 16 2HB SER 16 14.387 6.274 -14.253
131 HB3 SER 16 3HB SER 16 15.608 5.252 -15.013
132 HG SER 16 HG SER 16 16.020 7.597 -14.059
133 H GLU 17 H GLU 17 16.092 7.270 -17.932
134 HA GLU 17 HA GLU 17 15.252 10.027 -17.627
135 HB2 GLU 17 2HB GLU 17 17.276 10.631 -18.596
136 HB3 GLU 17 3HB GLU 17 17.683 9.137 -17.765
137 HG2 GLU 17 2HG GLU 17 17.120 8.041 -20.063
138 HG3 GLU 17 3HG GLU 17 17.407 9.666 -20.682
Start of MODEL 7
1 H1 ARG 1 H ARG 1 2.267 -2.455 -0.950
2 HA ARG 1 HA ARG 1 2.240 0.110 -1.783
3 HB2 ARG 1 2HB ARG 1 0.860 0.517 0.308
4 HB3 ARG 1 3HB ARG 1 2.324 0.207 1.230
5 HG2 ARG 1 2HG ARG 1 2.355 2.493 1.090
6 HG3 ARG 1 3HG ARG 1 3.342 2.053 -0.306
7 HD2 ARG 1 2HD ARG 1 1.057 2.097 -1.569
8 HD3 ARG 1 3HD ARG 1 0.542 3.091 -0.207
9 HE ARG 1 HE ARG 1 2.330 3.846 -2.330
10 HH11 ARG 1 1HH1 ARG 1 1.340 4.476 0.947
11 HH12 ARG 1 2HH1 ARG 1 1.906 6.113 0.942
12 HH21 ARG 1 1HH2 ARG 1 3.079 6.000 -2.350
13 HH22 ARG 1 2HH2 ARG 1 2.894 6.980 -0.935
14 H SEP 2 H SEP 2 3.681 -2.285 0.315
15 HA SEP 2 HA SEP 2 6.326 -0.946 0.119
16 HB2 SEP 2 2HB SEP 2 5.116 -2.977 1.973
17 HB3 SEP 2 3HB SEP 2 6.730 -3.431 1.486
18 H LYS 3 H LYS 3 4.429 -3.015 -1.621
19 HA LYS 3 HA LYS 3 6.584 -4.570 -2.787
20 HB2 LYS 3 2HB LYS 3 4.838 -5.604 -4.142
21 HB3 LYS 3 3HB LYS 3 4.386 -5.607 -2.442
22 HG2 LYS 3 2HG LYS 3 2.477 -4.625 -2.964
23 HG3 LYS 3 3HG LYS 3 3.369 -3.226 -3.567
24 HD2 LYS 3 2HD LYS 3 1.954 -3.999 -5.329
25 HD3 LYS 3 3HD LYS 3 3.613 -4.430 -5.749
26 HE2 LYS 3 2HE LYS 3 2.875 -6.509 -6.059
27 HE3 LYS 3 3HE LYS 3 2.688 -6.611 -4.309
28 HZ1 LYS 3 3HZ LYS 3 0.692 -6.651 -6.290
29 HZ2 LYS 3 1HZ LYS 3 0.448 -5.297 -5.307
30 HZ3 LYS 3 2HZ LYS 3 0.523 -6.839 -4.618
31 H ASP 4 H ASP 4 5.307 -1.511 -3.208
32 HA ASP 4 HA ASP 4 5.727 -1.390 -6.081
33 HB2 ASP 4 2HB ASP 4 4.293 0.167 -4.128
34 HB3 ASP 4 3HB ASP 4 5.369 1.211 -5.052
35 H LEU 5 H LEU 5 7.487 -0.853 -3.198
36 HA LEU 5 HA LEU 5 9.282 1.142 -4.001
37 HB2 LEU 5 2HB LEU 5 9.155 -0.912 -1.915
38 HB3 LEU 5 3HB LEU 5 10.791 -0.454 -2.381
39 HG LEU 5 HG LEU 5 8.789 1.653 -1.665
40 HD11 LEU 5 1HD1 LEU 5 9.367 -0.403 0.074
41 HD12 LEU 5 2HD1 LEU 5 8.796 1.205 0.517
42 HD13 LEU 5 3HD1 LEU 5 10.524 0.850 0.524
43 HD21 LEU 5 3HD2 LEU 5 10.668 2.976 -1.241
44 HD22 LEU 5 1HD2 LEU 5 11.097 2.071 -2.693
45 HD23 LEU 5 2HD2 LEU 5 11.740 1.580 -1.126
46 H ARG 6 H ARG 6 8.969 -2.123 -4.990
47 HA ARG 6 HA ARG 6 11.678 -2.524 -5.819
48 HB2 ARG 6 2HB ARG 6 9.818 -4.280 -5.311
49 HB3 ARG 6 3HB ARG 6 9.349 -4.011 -6.984
50 HG2 ARG 6 2HG ARG 6 10.757 -5.857 -7.080
51 HG3 ARG 6 3HG ARG 6 11.792 -4.509 -7.555
52 HD2 ARG 6 2HD ARG 6 13.208 -5.229 -5.988
53 HD3 ARG 6 3HD ARG 6 12.062 -4.580 -4.815
54 HE ARG 6 HE ARG 6 11.101 -7.053 -5.269
55 HH11 ARG 6 1HH1 ARG 6 14.275 -5.865 -4.474
56 HH12 ARG 6 2HH1 ARG 6 14.740 -7.299 -3.620
57 HH21 ARG 6 1HH2 ARG 6 11.701 -8.946 -4.147
58 HH22 ARG 6 2HH2 ARG 6 13.276 -9.051 -3.435
59 H HIS 7 H HIS 7 9.015 -0.830 -7.099
60 HA HIS 7 HA HIS 7 9.687 -1.058 -9.870
61 HB2 HIS 7 2HB HIS 7 7.407 -0.459 -8.938
62 HB3 HIS 7 3HB HIS 7 8.062 1.136 -8.580
63 HD1 HIS 7 HD1 HIS 7 7.164 2.691 -10.273
64 HD2 HIS 7 HD2 HIS 7 8.256 -0.949 -11.951
65 HE1 HIS 7 HE1 HIS 7 6.781 2.949 -12.745
66 H ALA 8 H ALA 8 10.971 0.696 -7.266
67 HA ALA 8 HA ALA 8 11.884 2.993 -8.698
68 HB1 ALA 8 1HB ALA 8 13.094 3.554 -6.727
69 HB2 ALA 8 2HB ALA 8 11.548 2.875 -6.217
70 HB3 ALA 8 3HB ALA 8 13.012 1.896 -6.131
71 H PHE 9 H PHE 9 12.928 -0.246 -8.497
72 HA PHE 9 HA PHE 9 15.699 0.025 -8.808
73 HB2 PHE 9 2HB PHE 9 13.941 -2.085 -8.633
74 HB3 PHE 9 3HB PHE 9 14.518 -2.211 -10.291
75 HD1 PHE 9 HD1 PHE 9 16.076 -1.372 -7.002
76 HD2 PHE 9 HD2 PHE 9 16.191 -3.749 -10.531
77 HE1 PHE 9 HE1 PHE 9 18.132 -2.460 -6.199
78 HE2 PHE 9 HE2 PHE 9 18.247 -4.841 -9.733
79 HZ PHE 9 HZ PHE 9 19.219 -4.197 -7.564
80 H ARG 10 H ARG 10 13.071 0.295 -11.092
81 HA ARG 10 HA ARG 10 14.717 0.188 -13.432
82 HB2 ARG 10 2HB ARG 10 11.935 1.335 -13.150
83 HB3 ARG 10 3HB ARG 10 12.723 0.838 -14.641
84 HG2 ARG 10 2HG ARG 10 12.840 -1.489 -13.578
85 HG3 ARG 10 3HG ARG 10 11.658 -0.868 -12.424
86 HD2 ARG 10 2HD ARG 10 10.073 -1.392 -13.894
87 HD3 ARG 10 3HD ARG 10 10.696 -0.104 -14.924
88 HE ARG 10 HE ARG 10 12.272 -2.282 -15.464
89 HH11 ARG 10 1HH1 ARG 10 8.868 -1.565 -15.593
90 HH12 ARG 10 2HH1 ARG 10 8.555 -2.657 -16.902
91 HH21 ARG 10 1HH2 ARG 10 11.872 -3.723 -17.187
92 HH22 ARG 10 2HH2 ARG 10 10.264 -3.884 -17.807
93 H SER 11 H SER 11 13.553 2.703 -11.299
94 HA SER 11 HA SER 11 14.117 4.913 -12.971
95 HB2 SER 11 2HB SER 11 13.407 4.483 -10.148
96 HB3 SER 11 3HB SER 11 14.386 5.920 -10.439
97 HG SER 11 HG SER 11 12.246 5.467 -12.161
98 H MET 12 H MET 12 16.116 2.827 -11.117
99 HA MET 12 HA MET 12 18.303 4.633 -10.757
100 HB2 MET 12 2HB MET 12 18.502 2.954 -9.229
101 HB3 MET 12 3HB MET 12 17.794 1.751 -10.299
102 HG2 MET 12 2HG MET 12 19.816 1.356 -11.391
103 HG3 MET 12 3HG MET 12 20.534 2.849 -10.790
104 HE1 MET 12 3HE MET 12 22.716 0.033 -9.143
105 HE2 MET 12 1HE MET 12 21.825 -0.292 -10.630
106 HE3 MET 12 2HE MET 12 22.620 1.266 -10.401
107 H PHE 13 H PHE 13 17.224 2.544 -13.300
108 HA PHE 13 HA PHE 13 19.775 2.631 -14.690
109 HB2 PHE 13 2HB PHE 13 17.212 1.170 -15.025
110 HB3 PHE 13 3HB PHE 13 18.133 1.497 -16.490
111 HD1 PHE 13 HD1 PHE 13 18.538 0.103 -13.063
112 HD2 PHE 13 HD2 PHE 13 19.806 0.043 -17.125
113 HE1 PHE 13 HE1 PHE 13 19.979 -1.832 -12.580
114 HE2 PHE 13 HE2 PHE 13 21.249 -1.893 -16.650
115 HZ PHE 13 HZ PHE 13 21.336 -2.834 -14.375
116 HA PRO 14 HA PRO 14 18.885 6.015 -17.341
117 HB2 PRO 14 2HB PRO 14 19.968 5.222 -19.696
118 HB3 PRO 14 3HB PRO 14 20.949 5.655 -18.291
119 HG2 PRO 14 2HG PRO 14 20.190 2.952 -19.314
120 HG3 PRO 14 3HG PRO 14 21.736 3.506 -18.644
121 HD2 PRO 14 2HD PRO 14 19.892 2.053 -17.270
122 HD3 PRO 14 3HD PRO 14 21.049 3.150 -16.489
123 H SER 15 H SER 15 17.432 3.014 -17.877
124 HA SER 15 HA SER 15 16.079 3.555 -20.322
125 HB2 SER 15 2HB SER 15 16.459 1.266 -19.327
126 HB3 SER 15 3HB SER 15 15.201 1.642 -18.150
127 HG SER 15 HG SER 15 13.702 1.552 -19.688
128 H SER 16 H SER 16 15.579 4.501 -17.060
129 HA SER 16 HA SER 16 12.770 5.134 -17.442
130 HB2 SER 16 2HB SER 16 14.664 5.426 -15.112
131 HB3 SER 16 3HB SER 16 13.032 6.092 -15.084
132 HG SER 16 HG SER 16 13.514 3.384 -15.724
133 H GLU 17 H GLU 17 15.721 6.587 -18.092
134 HA GLU 17 HA GLU 17 14.940 9.312 -17.585
135 HB2 GLU 17 2HB GLU 17 17.081 9.889 -18.153
136 HB3 GLU 17 3HB GLU 17 17.342 8.204 -17.724
137 HG2 GLU 17 2HG GLU 17 18.449 8.255 -19.699
138 HG3 GLU 17 3HG GLU 17 16.840 7.841 -20.289
Start of MODEL 8
1 H1 ARG 1 H ARG 1 1.764 -2.356 -0.269
2 HA ARG 1 HA ARG 1 1.394 -0.623 -1.854
3 HB2 ARG 1 2HB ARG 1 1.432 1.468 0.269
4 HB3 ARG 1 3HB ARG 1 0.596 1.456 -1.278
5 HG2 ARG 1 2HG ARG 1 -0.934 -0.295 -0.304
6 HG3 ARG 1 3HG ARG 1 -0.195 0.058 1.260
7 HD2 ARG 1 2HD ARG 1 -0.902 2.522 0.036
8 HD3 ARG 1 3HD ARG 1 -2.291 1.441 -0.067
9 HE ARG 1 HE ARG 1 -1.409 1.224 2.518
10 HH11 ARG 1 1HH1 ARG 1 -2.481 3.817 0.456
11 HH12 ARG 1 2HH1 ARG 1 -3.125 4.761 1.759
12 HH21 ARG 1 1HH2 ARG 1 -2.252 2.458 4.241
13 HH22 ARG 1 2HH2 ARG 1 -2.993 3.988 3.911
14 H SEP 2 H SEP 2 3.639 -1.339 0.478
15 HA SEP 2 HA SEP 2 5.557 0.769 -0.354
16 HB2 SEP 2 2HB SEP 2 7.095 -0.372 1.427
17 HB3 SEP 2 3HB SEP 2 5.629 0.344 2.049
18 H LYS 3 H LYS 3 4.430 -1.983 -1.586
19 HA LYS 3 HA LYS 3 6.813 -3.278 -2.468
20 HB2 LYS 3 2HB LYS 3 3.941 -3.625 -2.786
21 HB3 LYS 3 3HB LYS 3 4.811 -3.947 -4.280
22 HG2 LYS 3 2HG LYS 3 6.159 -5.613 -3.208
23 HG3 LYS 3 3HG LYS 3 5.477 -5.210 -1.630
24 HD2 LYS 3 2HD LYS 3 3.364 -5.800 -3.476
25 HD3 LYS 3 3HD LYS 3 4.544 -7.113 -3.485
26 HE2 LYS 3 2HE LYS 3 4.041 -7.746 -1.382
27 HE3 LYS 3 3HE LYS 3 3.836 -6.087 -0.822
28 HZ1 LYS 3 3HZ LYS 3 1.867 -7.954 -1.806
29 HZ2 LYS 3 1HZ LYS 3 1.722 -6.396 -2.449
30 HZ3 LYS 3 2HZ LYS 3 1.681 -6.626 -0.774
31 H ASP 4 H ASP 4 5.340 -0.395 -3.346
32 HA ASP 4 HA ASP 4 5.975 -0.426 -6.145
33 HB2 ASP 4 2HB ASP 4 4.563 1.293 -4.334
34 HB3 ASP 4 3HB ASP 4 5.736 2.247 -5.238
35 H LEU 5 H LEU 5 7.698 0.206 -3.254
36 HA LEU 5 HA LEU 5 9.616 2.044 -4.147
37 HB2 LEU 5 2HB LEU 5 9.481 0.014 -1.978
38 HB3 LEU 5 3HB LEU 5 11.052 0.711 -2.369
39 HG LEU 5 HG LEU 5 8.828 2.611 -1.902
40 HD11 LEU 5 1HD1 LEU 5 9.123 2.471 0.533
41 HD12 LEU 5 2HD1 LEU 5 10.117 1.030 0.319
42 HD13 LEU 5 3HD1 LEU 5 8.414 1.002 -0.139
43 HD21 LEU 5 3HD2 LEU 5 11.175 3.257 -2.455
44 HD22 LEU 5 1HD2 LEU 5 11.675 2.561 -0.914
45 HD23 LEU 5 2HD2 LEU 5 10.572 3.937 -0.943
46 H ARG 6 H ARG 6 9.144 -1.256 -4.919
47 HA ARG 6 HA ARG 6 11.847 -1.869 -5.629
48 HB2 ARG 6 2HB ARG 6 9.485 -3.315 -5.306
49 HB3 ARG 6 3HB ARG 6 9.848 -3.448 -7.022
50 HG2 ARG 6 2HG ARG 6 12.284 -3.933 -5.918
51 HG3 ARG 6 3HG ARG 6 11.199 -4.628 -4.712
52 HD2 ARG 6 2HD ARG 6 11.211 -6.440 -6.028
53 HD3 ARG 6 3HD ARG 6 10.099 -5.523 -7.042
54 HE ARG 6 HE ARG 6 12.588 -4.789 -7.900
55 HH11 ARG 6 1HH1 ARG 6 10.880 -7.802 -7.546
56 HH12 ARG 6 2HH1 ARG 6 11.704 -8.573 -8.860
57 HH21 ARG 6 1HH2 ARG 6 13.680 -5.794 -9.632
58 HH22 ARG 6 2HH2 ARG 6 13.297 -7.431 -10.046
59 H HIS 7 H HIS 7 9.353 -0.087 -7.095
60 HA HIS 7 HA HIS 7 10.049 -0.556 -9.826
61 HB2 HIS 7 2HB HIS 7 8.473 1.662 -8.509
62 HB3 HIS 7 3HB HIS 7 8.650 1.481 -10.251
63 HD1 HIS 7 HD1 HIS 7 5.855 1.408 -9.219
64 HD2 HIS 7 HD2 HIS 7 8.216 -2.002 -9.460
65 HE1 HIS 7 HE1 HIS 7 4.244 -0.522 -9.286
66 H ALA 8 H ALA 8 11.433 1.272 -7.319
67 HA ALA 8 HA ALA 8 12.590 3.347 -8.914
68 HB1 ALA 8 1HB ALA 8 14.150 3.288 -6.704
69 HB2 ALA 8 2HB ALA 8 12.595 4.115 -6.800
70 HB3 ALA 8 3HB ALA 8 12.692 2.499 -6.101
71 H PHE 9 H PHE 9 13.348 0.067 -8.319
72 HA PHE 9 HA PHE 9 16.169 0.221 -8.716
73 HB2 PHE 9 2HB PHE 9 14.452 -1.723 -7.825
74 HB3 PHE 9 3HB PHE 9 14.874 -2.318 -9.427
75 HD1 PHE 9 HD2 PHE 9 16.733 -0.631 -6.661
76 HD2 PHE 9 HD1 PHE 9 16.515 -3.907 -9.370
77 HE1 PHE 9 HE2 PHE 9 18.856 -1.502 -5.774
78 HE2 PHE 9 HE1 PHE 9 18.637 -4.784 -8.486
79 HZ PHE 9 HZ PHE 9 19.812 -3.580 -6.686
80 H ARG 10 H ARG 10 13.435 0.198 -10.802
81 HA ARG 10 HA ARG 10 14.938 -0.651 -13.133
82 HB2 ARG 10 2HB ARG 10 12.145 -0.346 -12.429
83 HB3 ARG 10 3HB ARG 10 12.492 0.409 -13.979
84 HG2 ARG 10 2HG ARG 10 13.473 -2.355 -13.435
85 HG3 ARG 10 3HG ARG 10 11.783 -2.089 -13.867
86 HD2 ARG 10 2HD ARG 10 13.751 -0.700 -15.556
87 HD3 ARG 10 3HD ARG 10 13.781 -2.460 -15.657
88 HE ARG 10 HE ARG 10 11.822 -0.737 -16.762
89 HH11 ARG 10 1HH1 ARG 10 12.208 -3.831 -15.214
90 HH12 ARG 10 2HH1 ARG 10 10.811 -4.528 -15.966
91 HH21 ARG 10 1HH2 ARG 10 9.981 -1.642 -17.757
92 HH22 ARG 10 2HH2 ARG 10 9.545 -3.282 -17.413
93 H SER 11 H SER 11 14.173 2.260 -11.505
94 HA SER 11 HA SER 11 14.343 4.017 -13.754
95 HB2 SER 11 2HB SER 11 14.931 4.955 -10.975
96 HB3 SER 11 3HB SER 11 14.002 5.742 -12.250
97 HG SER 11 HG SER 11 12.680 4.918 -10.552
98 H MET 12 H MET 12 16.626 2.429 -11.738
99 HA MET 12 HA MET 12 18.797 4.224 -11.990
100 HB2 MET 12 2HB MET 12 18.402 1.441 -11.099
101 HB3 MET 12 3HB MET 12 20.010 1.805 -11.710
102 HG2 MET 12 2HG MET 12 20.150 3.688 -10.123
103 HG3 MET 12 3HG MET 12 18.581 3.218 -9.473
104 HE1 MET 12 3HE MET 12 22.601 1.119 -8.936
105 HE2 MET 12 1HE MET 12 21.776 0.794 -10.461
106 HE3 MET 12 2HE MET 12 22.208 2.448 -10.028
107 H PHE 13 H PHE 13 17.280 2.187 -14.233
108 HA PHE 13 HA PHE 13 19.561 1.622 -15.871
109 HB2 PHE 13 2HB PHE 13 16.674 1.090 -15.948
110 HB3 PHE 13 3HB PHE 13 17.396 1.346 -17.533
111 HD1 PHE 13 HD2 PHE 13 18.444 -0.397 -14.400
112 HD2 PHE 13 HD1 PHE 13 17.868 -0.612 -18.612
113 HE1 PHE 13 HE2 PHE 13 19.273 -2.714 -14.392
114 HE2 PHE 13 HE1 PHE 13 18.695 -2.930 -18.610
115 HZ PHE 13 HZ PHE 13 19.399 -3.983 -16.499
116 HA PRO 14 HA PRO 14 19.786 5.248 -18.336
117 HB2 PRO 14 2HB PRO 14 20.360 4.257 -20.793
118 HB3 PRO 14 3HB PRO 14 21.517 4.230 -19.457
119 HG2 PRO 14 2HG PRO 14 19.783 2.039 -20.509
120 HG3 PRO 14 3HG PRO 14 21.457 1.966 -19.926
121 HD2 PRO 14 2HD PRO 14 19.300 1.190 -18.469
122 HD3 PRO 14 3HD PRO 14 20.821 1.754 -17.748
123 H SER 15 H SER 15 17.337 2.972 -18.889
124 HA SER 15 HA SER 15 16.109 4.300 -21.133
125 HB2 SER 15 2HB SER 15 15.592 1.884 -19.522
126 HB3 SER 15 3HB SER 15 14.147 2.694 -20.128
127 HG SER 15 HG SER 15 15.763 1.096 -21.451
128 H SER 16 H SER 16 16.098 4.652 -17.731
129 HA SER 16 HA SER 16 13.521 5.967 -17.609
130 HB2 SER 16 2HB SER 16 14.346 4.600 -15.712
131 HB3 SER 16 3HB SER 16 15.674 5.740 -15.491
132 HG SER 16 HG SER 16 12.902 6.316 -15.271
133 H GLU 17 H GLU 17 16.899 6.834 -17.807
134 HA GLU 17 HA GLU 17 16.454 9.618 -17.222
135 HB2 GLU 17 2HB GLU 17 18.837 8.065 -18.217
136 HB3 GLU 17 3HB GLU 17 18.860 9.815 -18.056
137 HG2 GLU 17 2HG GLU 17 17.990 9.184 -15.615
138 HG3 GLU 17 3HG GLU 17 18.894 7.715 -15.981
Start of MODEL 9
1 H1 ARG 1 H ARG 1 1.244 2.682 0.687
2 HA ARG 1 HA ARG 1 2.157 0.488 0.310
3 HB2 ARG 1 2HB ARG 1 1.931 2.373 -1.933
4 HB3 ARG 1 3HB ARG 1 2.917 0.959 -2.279
5 HG2 ARG 1 2HG ARG 1 1.099 -0.511 -1.728
6 HG3 ARG 1 3HG ARG 1 0.112 0.851 -1.195
7 HD2 ARG 1 2HD ARG 1 0.168 1.760 -3.479
8 HD3 ARG 1 3HD ARG 1 1.114 0.365 -3.998
9 HE ARG 1 HE ARG 1 -1.719 0.455 -3.503
10 HH11 ARG 1 1HH1 ARG 1 1.099 -1.578 -3.702
11 HH12 ARG 1 2HH1 ARG 1 0.197 -3.017 -4.045
12 HH21 ARG 1 1HH2 ARG 1 -2.918 -1.432 -3.954
13 HH22 ARG 1 2HH2 ARG 1 -2.087 -2.933 -4.189
14 H SEP 2 H SEP 2 3.954 -0.446 1.077
15 HA SEP 2 HA SEP 2 6.552 0.893 0.587
16 HB2 SEP 2 2HB SEP 2 7.475 -0.591 2.343
17 HB3 SEP 2 3HB SEP 2 5.940 0.003 2.924
18 H LYS 3 H LYS 3 4.607 -1.134 -1.025
19 HA LYS 3 HA LYS 3 6.637 -2.887 -2.125
20 HB2 LYS 3 2HB LYS 3 3.729 -2.752 -2.124
21 HB3 LYS 3 3HB LYS 3 4.372 -3.105 -3.722
22 HG2 LYS 3 2HG LYS 3 3.830 -5.110 -2.347
23 HG3 LYS 3 3HG LYS 3 5.495 -5.047 -2.930
24 HD2 LYS 3 2HD LYS 3 6.345 -4.560 -0.823
25 HD3 LYS 3 3HD LYS 3 4.794 -3.966 -0.226
26 HE2 LYS 3 2HE LYS 3 4.180 -6.542 -0.827
27 HE3 LYS 3 3HE LYS 3 5.865 -6.702 -0.332
28 HZ1 LYS 3 3HZ LYS 3 3.579 -5.689 1.243
29 HZ2 LYS 3 1HZ LYS 3 5.175 -5.344 1.685
30 HZ3 LYS 3 2HZ LYS 3 4.644 -6.949 1.620
31 H ASP 4 H ASP 4 5.726 0.262 -2.616
32 HA ASP 4 HA ASP 4 5.998 0.328 -5.489
33 HB2 ASP 4 2HB ASP 4 5.112 2.131 -3.423
34 HB3 ASP 4 3HB ASP 4 6.288 2.934 -4.460
35 H LEU 5 H LEU 5 8.083 0.446 -2.781
36 HA LEU 5 HA LEU 5 10.179 2.024 -3.778
37 HB2 LEU 5 2HB LEU 5 9.738 0.200 -1.579
38 HB3 LEU 5 3HB LEU 5 11.363 0.025 -2.238
39 HG LEU 5 HG LEU 5 11.694 2.471 -1.904
40 HD11 LEU 5 1HD1 LEU 5 9.071 2.276 -0.431
41 HD12 LEU 5 2HD1 LEU 5 9.352 3.150 -1.937
42 HD13 LEU 5 3HD1 LEU 5 10.147 3.673 -0.452
43 HD21 LEU 5 3HD2 LEU 5 12.577 0.939 -0.279
44 HD22 LEU 5 1HD2 LEU 5 11.004 0.797 0.507
45 HD23 LEU 5 2HD2 LEU 5 11.887 2.323 0.569
46 H ARG 6 H ARG 6 9.087 -1.090 -4.672
47 HA ARG 6 HA ARG 6 11.565 -2.089 -5.692
48 HB2 ARG 6 2HB ARG 6 9.196 -3.251 -5.094
49 HB3 ARG 6 3HB ARG 6 9.034 -3.102 -6.839
50 HG2 ARG 6 2HG ARG 6 10.560 -4.696 -7.248
51 HG3 ARG 6 3HG ARG 6 11.605 -4.181 -5.922
52 HD2 ARG 6 2HD ARG 6 10.047 -5.242 -4.328
53 HD3 ARG 6 3HD ARG 6 9.077 -5.810 -5.686
54 HE ARG 6 HE ARG 6 11.580 -6.896 -4.761
55 HH11 ARG 6 1HH1 ARG 6 9.370 -6.622 -7.437
56 HH12 ARG 6 2HH1 ARG 6 9.930 -8.065 -8.215
57 HH21 ARG 6 1HH2 ARG 6 12.325 -8.797 -5.776
58 HH22 ARG 6 2HH2 ARG 6 11.610 -9.302 -7.270
59 H HIS 7 H HIS 7 9.297 0.189 -6.790
60 HA HIS 7 HA HIS 7 9.655 -0.188 -9.601
61 HB2 HIS 7 2HB HIS 7 8.563 2.113 -7.978
62 HB3 HIS 7 3HB HIS 7 8.611 2.111 -9.739
63 HD1 HIS 7 HD1 HIS 7 6.102 2.066 -10.101
64 HD2 HIS 7 HD2 HIS 7 7.462 -1.042 -7.703
65 HE1 HIS 7 HE1 HIS 7 4.147 0.505 -9.852
66 H ALA 8 H ALA 8 11.538 1.207 -7.141
67 HA ALA 8 HA ALA 8 12.872 3.197 -8.694
68 HB1 ALA 8 1HB ALA 8 14.123 1.926 -6.298
69 HB2 ALA 8 2HB ALA 8 14.155 3.610 -6.823
70 HB3 ALA 8 3HB ALA 8 12.690 2.936 -6.108
71 H PHE 9 H PHE 9 13.047 -0.184 -8.599
72 HA PHE 9 HA PHE 9 15.789 -0.599 -9.123
73 HB2 PHE 9 2HB PHE 9 14.079 -2.343 -8.432
74 HB3 PHE 9 3HB PHE 9 13.530 -2.343 -10.105
75 HD1 PHE 9 HD1 PHE 9 16.288 -3.197 -7.845
76 HD2 PHE 9 HD2 PHE 9 14.824 -3.368 -11.838
77 HE1 PHE 9 HE1 PHE 9 18.033 -4.837 -8.411
78 HE2 PHE 9 HE2 PHE 9 16.565 -5.009 -12.410
79 HZ PHE 9 HZ PHE 9 18.172 -5.746 -10.696
80 H ARG 10 H ARG 10 13.135 0.404 -11.116
81 HA ARG 10 HA ARG 10 14.503 -0.144 -13.603
82 HB2 ARG 10 2HB ARG 10 11.860 1.020 -12.833
83 HB3 ARG 10 3HB ARG 10 12.491 1.341 -14.443
84 HG2 ARG 10 2HG ARG 10 12.781 -1.199 -14.625
85 HG3 ARG 10 3HG ARG 10 11.716 -1.279 -13.220
86 HD2 ARG 10 2HD ARG 10 9.909 -0.411 -14.379
87 HD3 ARG 10 3HD ARG 10 10.929 0.344 -15.603
88 HE ARG 10 HE ARG 10 10.854 -1.598 -16.803
89 HH11 ARG 10 1HH1 ARG 10 9.879 -2.258 -13.526
90 HH12 ARG 10 2HH1 ARG 10 9.412 -3.893 -13.857
91 HH21 ARG 10 1HH2 ARG 10 10.242 -3.749 -17.250
92 HH22 ARG 10 2HH2 ARG 10 9.620 -4.741 -15.975
93 H SER 11 H SER 11 14.263 2.439 -11.343
94 HA SER 11 HA SER 11 14.888 4.586 -13.098
95 HB2 SER 11 2HB SER 11 13.854 5.015 -10.936
96 HB3 SER 11 3HB SER 11 15.246 4.323 -10.103
97 HG SER 11 HG SER 11 15.955 6.300 -10.126
98 H MET 12 H MET 12 16.734 2.051 -11.769
99 HA MET 12 HA MET 12 19.262 3.391 -11.713
100 HB2 MET 12 2HB MET 12 18.259 0.915 -10.850
101 HB3 MET 12 3HB MET 12 19.485 0.531 -12.050
102 HG2 MET 12 2HG MET 12 20.563 0.565 -9.952
103 HG3 MET 12 3HG MET 12 21.047 2.033 -10.798
104 HE1 MET 12 3HE MET 12 20.579 4.657 -9.370
105 HE2 MET 12 1HE MET 12 21.144 4.005 -7.832
106 HE3 MET 12 2HE MET 12 21.819 3.402 -9.346
107 H PHE 13 H PHE 13 17.298 2.193 -14.187
108 HA PHE 13 HA PHE 13 19.494 1.617 -16.006
109 HB2 PHE 13 2HB PHE 13 16.551 1.226 -16.029
110 HB3 PHE 13 3HB PHE 13 17.328 1.467 -17.590
111 HD1 PHE 13 HD2 PHE 13 17.719 -0.544 -14.476
112 HD2 PHE 13 HD1 PHE 13 18.146 -0.366 -18.707
113 HE1 PHE 13 HE2 PHE 13 18.383 -2.913 -14.505
114 HE2 PHE 13 HE1 PHE 13 18.811 -2.735 -18.743
115 HZ PHE 13 HZ PHE 13 18.931 -4.011 -16.641
116 HA PRO 14 HA PRO 14 19.595 5.514 -18.026
117 HB2 PRO 14 2HB PRO 14 19.987 4.826 -20.618
118 HB3 PRO 14 3HB PRO 14 21.232 4.633 -19.378
119 HG2 PRO 14 2HG PRO 14 19.402 2.591 -20.561
120 HG3 PRO 14 3HG PRO 14 21.111 2.442 -20.115
121 HD2 PRO 14 2HD PRO 14 19.050 1.504 -18.613
122 HD3 PRO 14 3HD PRO 14 20.624 1.971 -17.937
123 H SER 15 H SER 15 17.132 3.273 -18.812
124 HA SER 15 HA SER 15 15.763 4.795 -20.787
125 HB2 SER 15 2HB SER 15 13.788 3.285 -19.958
126 HB3 SER 15 3HB SER 15 15.147 2.553 -20.812
127 HG SER 15 HG SER 15 15.641 1.492 -19.069
128 H SER 16 H SER 16 15.944 4.942 -17.351
129 HA SER 16 HA SER 16 13.482 6.416 -17.021
130 HB2 SER 16 2HB SER 16 14.013 5.114 -15.140
131 HB3 SER 16 3HB SER 16 15.709 5.595 -15.171
132 HG SER 16 HG SER 16 15.218 7.465 -14.225
133 H GLU 17 H GLU 17 16.813 7.106 -17.620
134 HA GLU 17 HA GLU 17 16.658 9.860 -16.764
135 HB2 GLU 17 2HB GLU 17 18.736 8.020 -17.652
136 HB3 GLU 17 3HB GLU 17 18.914 9.620 -18.359
137 HG2 GLU 17 2HG GLU 17 19.342 10.616 -16.355
138 HG3 GLU 17 3HG GLU 17 18.412 9.431 -15.441
Start of MODEL 10
1 H1 ARG 1 H ARG 1 2.720 -0.103 1.561
2 HA ARG 1 HA ARG 1 2.991 -0.011 -1.333
3 HB2 ARG 1 2HB ARG 1 2.664 1.916 0.782
4 HB3 ARG 1 3HB ARG 1 4.071 2.327 -0.190
5 HG2 ARG 1 2HG ARG 1 1.689 1.595 -1.734
6 HG3 ARG 1 3HG ARG 1 1.529 3.060 -0.763
7 HD2 ARG 1 2HD ARG 1 3.943 3.504 -1.832
8 HD3 ARG 1 3HD ARG 1 3.249 2.502 -3.105
9 HE ARG 1 HE ARG 1 1.958 4.278 -3.710
10 HH11 ARG 1 1HH1 ARG 1 2.982 4.728 -0.413
11 HH12 ARG 1 2HH1 ARG 1 2.284 6.308 -0.275
12 HH21 ARG 1 1HH2 ARG 1 1.035 6.357 -3.540
13 HH22 ARG 1 2HH2 ARG 1 1.176 7.233 -2.054
14 H SEP 2 H SEP 2 4.836 -1.118 1.209
15 HA SEP 2 HA SEP 2 7.418 -0.063 0.345
16 HB2 SEP 2 2HB SEP 2 8.391 -1.436 2.149
17 HB3 SEP 2 3HB SEP 2 6.888 -0.800 2.769
18 H LYS 3 H LYS 3 5.304 -2.351 -0.810
19 HA LYS 3 HA LYS 3 7.254 -4.115 -2.000
20 HB2 LYS 3 2HB LYS 3 5.407 -5.300 -2.913
21 HB3 LYS 3 3HB LYS 3 4.931 -4.812 -1.292
22 HG2 LYS 3 2HG LYS 3 3.954 -2.732 -2.627
23 HG3 LYS 3 3HG LYS 3 3.900 -3.931 -3.922
24 HD2 LYS 3 2HD LYS 3 2.683 -4.263 -1.180
25 HD3 LYS 3 3HD LYS 3 1.797 -3.838 -2.646
26 HE2 LYS 3 2HE LYS 3 1.474 -6.048 -2.843
27 HE3 LYS 3 3HE LYS 3 3.133 -6.075 -3.438
28 HZ1 LYS 3 3HZ LYS 3 2.054 -7.123 -0.996
29 HZ2 LYS 3 1HZ LYS 3 3.427 -6.167 -0.743
30 HZ3 LYS 3 2HZ LYS 3 3.504 -7.498 -1.784
31 H ASP 4 H ASP 4 5.409 -1.299 -2.932
32 HA ASP 4 HA ASP 4 5.878 -1.521 -5.735
33 HB2 ASP 4 2HB ASP 4 4.514 0.288 -3.949
34 HB3 ASP 4 3HB ASP 4 5.478 1.194 -5.112
35 H LEU 5 H LEU 5 7.774 -0.481 -3.081
36 HA LEU 5 HA LEU 5 9.448 1.401 -4.322
37 HB2 LEU 5 2HB LEU 5 9.205 0.581 -1.823
38 HB3 LEU 5 3HB LEU 5 10.549 -0.463 -2.281
39 HG LEU 5 HG LEU 5 11.603 1.815 -3.088
40 HD11 LEU 5 1HD1 LEU 5 9.463 2.627 -1.154
41 HD12 LEU 5 2HD1 LEU 5 9.884 3.341 -2.711
42 HD13 LEU 5 3HD1 LEU 5 10.952 3.558 -1.324
43 HD21 LEU 5 3HD2 LEU 5 12.962 1.644 -1.286
44 HD22 LEU 5 1HD2 LEU 5 12.082 0.131 -1.065
45 HD23 LEU 5 2HD2 LEU 5 11.620 1.562 -0.142
46 H ARG 6 H ARG 6 9.192 -1.984 -4.713
47 HA ARG 6 HA ARG 6 11.879 -2.472 -5.569
48 HB2 ARG 6 2HB ARG 6 10.470 -4.268 -4.668
49 HB3 ARG 6 3HB ARG 6 9.360 -4.083 -6.019
50 HG2 ARG 6 2HG ARG 6 11.116 -4.769 -7.566
51 HG3 ARG 6 3HG ARG 6 12.240 -4.941 -6.216
52 HD2 ARG 6 2HD ARG 6 11.064 -6.769 -5.329
53 HD3 ARG 6 3HD ARG 6 9.635 -6.430 -6.304
54 HE ARG 6 HE ARG 6 11.664 -6.956 -8.092
55 HH11 ARG 6 1HH1 ARG 6 10.068 -8.642 -5.498
56 HH12 ARG 6 2HH1 ARG 6 10.309 -10.210 -6.195
57 HH21 ARG 6 1HH2 ARG 6 11.988 -9.014 -9.019
58 HH22 ARG 6 2HH2 ARG 6 11.402 -10.421 -8.197
59 H HIS 7 H HIS 7 9.139 -1.061 -7.007
60 HA HIS 7 HA HIS 7 9.704 -1.763 -9.724
61 HB2 HIS 7 2HB HIS 7 7.499 -0.826 -8.536
62 HB3 HIS 7 3HB HIS 7 8.164 0.705 -9.098
63 HD1 HIS 7 HD1 HIS 7 6.245 -2.189 -10.208
64 HD2 HIS 7 HD2 HIS 7 8.537 0.783 -11.991
65 HE1 HIS 7 HE1 HIS 7 5.616 -2.224 -12.643
66 H ALA 8 H ALA 8 11.019 0.465 -7.518
67 HA ALA 8 HA ALA 8 11.839 2.468 -9.384
68 HB1 ALA 8 1HB ALA 8 13.216 3.320 -7.554
69 HB2 ALA 8 2HB ALA 8 11.572 2.976 -7.014
70 HB3 ALA 8 3HB ALA 8 12.881 1.862 -6.620
71 H PHE 9 H PHE 9 13.001 -0.637 -8.531
72 HA PHE 9 HA PHE 9 15.743 -0.394 -8.947
73 HB2 PHE 9 2HB PHE 9 13.952 -2.482 -8.490
74 HB3 PHE 9 3HB PHE 9 14.692 -2.872 -10.040
75 HD1 PHE 9 HD1 PHE 9 17.261 -2.807 -10.150
76 HD2 PHE 9 HD2 PHE 9 15.051 -2.982 -6.517
77 HE1 PHE 9 HE1 PHE 9 19.251 -3.667 -8.985
78 HE2 PHE 9 HE2 PHE 9 17.037 -3.841 -5.346
79 HZ PHE 9 HZ PHE 9 19.140 -4.184 -6.580
80 H ARG 10 H ARG 10 13.103 -0.598 -11.236
81 HA ARG 10 HA ARG 10 14.912 -0.844 -13.499
82 HB2 ARG 10 2HB ARG 10 12.745 -2.058 -13.457
83 HB3 ARG 10 3HB ARG 10 11.907 -0.512 -13.464
84 HG2 ARG 10 2HG ARG 10 12.868 0.009 -15.644
85 HG3 ARG 10 3HG ARG 10 13.726 -1.533 -15.636
86 HD2 ARG 10 2HD ARG 10 11.944 -2.410 -16.640
87 HD3 ARG 10 3HD ARG 10 11.089 -2.213 -15.111
88 HE ARG 10 HE ARG 10 9.912 -0.473 -16.029
89 HH11 ARG 10 1HH1 ARG 10 12.642 -1.216 -18.059
90 HH12 ARG 10 2HH1 ARG 10 12.134 -0.173 -19.346
91 HH21 ARG 10 1HH2 ARG 10 9.234 0.904 -17.717
92 HH22 ARG 10 2HH2 ARG 10 10.197 1.033 -19.150
93 H SER 11 H SER 11 12.994 1.576 -11.871
94 HA SER 11 HA SER 11 13.179 3.537 -13.946
95 HB2 SER 11 2HB SER 11 12.057 4.993 -12.473
96 HB3 SER 11 3HB SER 11 11.434 3.398 -12.053
97 HG SER 11 HG SER 11 12.398 5.045 -10.380
98 H MET 12 H MET 12 15.274 2.433 -11.482
99 HA MET 12 HA MET 12 16.785 4.843 -11.161
100 HB2 MET 12 2HB MET 12 16.622 2.870 -9.530
101 HB3 MET 12 3HB MET 12 17.782 2.062 -10.575
102 HG2 MET 12 2HG MET 12 18.779 4.652 -10.025
103 HG3 MET 12 3HG MET 12 18.255 3.938 -8.502
104 HE1 MET 12 3HE MET 12 19.983 1.089 -7.746
105 HE2 MET 12 1HE MET 12 20.948 2.486 -7.265
106 HE3 MET 12 2HE MET 12 19.187 2.586 -7.258
107 H PHE 13 H PHE 13 16.545 2.601 -13.638
108 HA PHE 13 HA PHE 13 19.306 2.846 -14.521
109 HB2 PHE 13 2HB PHE 13 17.010 1.130 -15.181
110 HB3 PHE 13 3HB PHE 13 17.989 1.595 -16.569
111 HD1 PHE 13 HD1 PHE 13 18.718 0.620 -13.038
112 HD2 PHE 13 HD2 PHE 13 19.471 -0.037 -17.176
113 HE1 PHE 13 HE1 PHE 13 20.356 -1.123 -12.460
114 HE2 PHE 13 HE2 PHE 13 21.109 -1.781 -16.604
115 HZ PHE 13 HZ PHE 13 21.552 -2.327 -14.244
116 HA PRO 14 HA PRO 14 18.698 6.112 -17.392
117 HB2 PRO 14 2HB PRO 14 20.262 5.365 -19.476
118 HB3 PRO 14 3HB PRO 14 20.925 5.893 -17.925
119 HG2 PRO 14 2HG PRO 14 20.570 3.125 -18.992
120 HG3 PRO 14 3HG PRO 14 21.915 3.804 -18.057
121 HD2 PRO 14 2HD PRO 14 19.951 2.238 -17.015
122 HD3 PRO 14 3HD PRO 14 20.858 3.430 -16.063
123 H SER 15 H SER 15 17.713 2.946 -18.205
124 HA SER 15 HA SER 15 16.730 3.460 -20.830
125 HB2 SER 15 2HB SER 15 17.125 1.196 -19.321
126 HB3 SER 15 3HB SER 15 15.367 1.337 -19.326
127 HG SER 15 HG SER 15 15.915 1.771 -21.757
128 H SER 16 H SER 16 15.421 3.764 -17.602
129 HA SER 16 HA SER 16 12.744 4.316 -18.596
130 HB2 SER 16 2HB SER 16 12.720 3.070 -16.590
131 HB3 SER 16 3HB SER 16 13.944 4.094 -15.839
132 HG SER 16 HG SER 16 12.313 5.135 -15.036
133 H GLU 17 H GLU 17 15.519 6.015 -17.305
134 HA GLU 17 HA GLU 17 14.115 8.525 -17.058
135 HB2 GLU 17 2HB GLU 17 15.870 8.183 -15.493
136 HB3 GLU 17 3HB GLU 17 17.004 7.725 -16.755
137 HG2 GLU 17 2HG GLU 17 17.344 9.901 -17.430
138 HG3 GLU 17 3HG GLU 17 15.811 10.457 -16.762
Start of MODEL 11
1 H1 ARG 1 H ARG 1 1.897 -0.963 1.415
2 HA ARG 1 HA ARG 1 2.582 -1.224 -0.834
3 HB2 ARG 1 2HB ARG 1 2.901 1.088 -1.701
4 HB3 ARG 1 3HB ARG 1 1.531 0.930 -0.610
5 HG2 ARG 1 2HG ARG 1 2.873 1.873 1.206
6 HG3 ARG 1 3HG ARG 1 4.237 2.045 0.099
7 HD2 ARG 1 2HD ARG 1 2.240 3.295 -1.274
8 HD3 ARG 1 3HD ARG 1 1.823 3.682 0.395
9 HE ARG 1 HE ARG 1 4.474 4.237 0.254
10 HH11 ARG 1 1HH1 ARG 1 1.702 5.199 -1.620
11 HH12 ARG 1 2HH1 ARG 1 2.361 6.744 -2.043
12 HH21 ARG 1 1HH2 ARG 1 5.352 6.269 -0.296
13 HH22 ARG 1 2HH2 ARG 1 4.438 7.352 -1.290
14 H SEP 2 H SEP 2 4.817 -1.853 1.061
15 HA SEP 2 HA SEP 2 7.168 -0.586 -0.149
16 HB2 SEP 2 2HB SEP 2 7.559 -3.073 1.568
17 HB3 SEP 2 3HB SEP 2 8.408 -1.548 1.621
18 H LYS 3 H LYS 3 5.086 -3.060 -0.953
19 HA LYS 3 HA LYS 3 6.897 -4.770 -2.352
20 HB2 LYS 3 2HB LYS 3 4.915 -5.842 -3.238
21 HB3 LYS 3 3HB LYS 3 4.690 -5.527 -1.522
22 HG2 LYS 3 2HG LYS 3 3.490 -3.388 -2.278
23 HG3 LYS 3 3HG LYS 3 3.427 -4.158 -3.866
24 HD2 LYS 3 2HD LYS 3 2.302 -5.256 -1.289
25 HD3 LYS 3 3HD LYS 3 1.379 -4.599 -2.642
26 HE2 LYS 3 2HE LYS 3 2.513 -6.408 -4.052
27 HE3 LYS 3 3HE LYS 3 2.977 -7.139 -2.517
28 HZ1 LYS 3 3HZ LYS 3 0.169 -6.469 -3.178
29 HZ2 LYS 3 1HZ LYS 3 0.737 -7.465 -1.933
30 HZ3 LYS 3 2HZ LYS 3 0.856 -7.972 -3.542
31 H ASP 4 H ASP 4 5.241 -1.826 -3.091
32 HA ASP 4 HA ASP 4 5.620 -2.102 -5.956
33 HB2 ASP 4 2HB ASP 4 3.988 -0.485 -4.229
34 HB3 ASP 4 3HB ASP 4 4.903 0.556 -5.316
35 H LEU 5 H LEU 5 7.307 -0.847 -3.252
36 HA LEU 5 HA LEU 5 8.794 1.209 -4.449
37 HB2 LEU 5 2HB LEU 5 8.584 0.526 -1.973
38 HB3 LEU 5 3HB LEU 5 9.900 -0.593 -2.324
39 HG LEU 5 HG LEU 5 10.863 1.804 -3.273
40 HD11 LEU 5 1HD1 LEU 5 9.965 2.589 -0.585
41 HD12 LEU 5 2HD1 LEU 5 8.725 2.609 -1.837
42 HD13 LEU 5 3HD1 LEU 5 10.196 3.561 -2.038
43 HD21 LEU 5 3HD2 LEU 5 12.370 1.699 -1.402
44 HD22 LEU 5 1HD2 LEU 5 12.032 0.059 -1.957
45 HD23 LEU 5 2HD2 LEU 5 11.248 0.677 -0.503
46 H ARG 6 H ARG 6 8.931 -2.181 -4.847
47 HA ARG 6 HA ARG 6 11.678 -2.363 -5.629
48 HB2 ARG 6 2HB ARG 6 10.083 -4.236 -4.791
49 HB3 ARG 6 3HB ARG 6 9.560 -4.318 -6.468
50 HG2 ARG 6 2HG ARG 6 11.722 -4.944 -7.206
51 HG3 ARG 6 3HG ARG 6 12.435 -4.572 -5.635
52 HD2 ARG 6 2HD ARG 6 11.923 -6.586 -4.825
53 HD3 ARG 6 3HD ARG 6 10.268 -6.486 -5.424
54 HE ARG 6 HE ARG 6 12.421 -7.912 -6.607
55 HH11 ARG 6 1HH1 ARG 6 9.565 -6.071 -7.365
56 HH12 ARG 6 2HH1 ARG 6 9.296 -6.866 -8.880
57 HH21 ARG 6 1HH2 ARG 6 12.078 -8.966 -8.601
58 HH22 ARG 6 2HH2 ARG 6 10.725 -8.513 -9.582
59 H HIS 7 H HIS 7 8.870 -1.207 -7.129
60 HA HIS 7 HA HIS 7 9.533 -1.861 -9.833
61 HB2 HIS 7 2HB HIS 7 7.591 0.079 -8.586
62 HB3 HIS 7 3HB HIS 7 7.808 -0.034 -10.330
63 HD1 HIS 7 HD1 HIS 7 5.932 -1.322 -11.273
64 HD2 HIS 7 HD2 HIS 7 7.199 -2.891 -7.640
65 HE1 HIS 7 HE1 HIS 7 4.511 -3.361 -10.888
66 H ALA 8 H ALA 8 10.685 0.426 -7.612
67 HA ALA 8 HA ALA 8 11.381 2.493 -9.466
68 HB1 ALA 8 1HB ALA 8 12.928 3.158 -7.487
69 HB2 ALA 8 2HB ALA 8 11.178 3.292 -7.308
70 HB3 ALA 8 3HB ALA 8 12.033 1.919 -6.607
71 H PHE 9 H PHE 9 12.649 -0.563 -8.794
72 HA PHE 9 HA PHE 9 15.407 -0.157 -9.078
73 HB2 PHE 9 2HB PHE 9 14.165 -2.287 -8.374
74 HB3 PHE 9 3HB PHE 9 13.956 -2.595 -10.095
75 HD1 PHE 9 HD2 PHE 9 16.692 -1.651 -7.737
76 HD2 PHE 9 HD1 PHE 9 15.483 -3.979 -11.088
77 HE1 PHE 9 HE2 PHE 9 18.922 -2.687 -7.816
78 HE2 PHE 9 HE1 PHE 9 17.711 -5.020 -11.173
79 HZ PHE 9 HZ PHE 9 19.434 -4.374 -9.537
80 H ARG 10 H ARG 10 12.860 0.025 -11.364
81 HA ARG 10 HA ARG 10 14.603 -0.350 -13.660
82 HB2 ARG 10 2HB ARG 10 11.734 0.569 -13.715
83 HB3 ARG 10 3HB ARG 10 12.648 -0.211 -14.999
84 HG2 ARG 10 2HG ARG 10 12.739 -2.267 -13.624
85 HG3 ARG 10 3HG ARG 10 11.707 -1.472 -12.434
86 HD2 ARG 10 2HD ARG 10 9.856 -1.744 -13.678
87 HD3 ARG 10 3HD ARG 10 10.695 -1.358 -15.180
88 HE ARG 10 HE ARG 10 11.345 -3.946 -14.096
89 HH11 ARG 10 1HH1 ARG 10 9.183 -2.141 -16.143
90 HH12 ARG 10 2HH1 ARG 10 8.703 -3.521 -17.074
91 HH21 ARG 10 1HH2 ARG 10 10.721 -5.770 -15.315
92 HH22 ARG 10 2HH2 ARG 10 9.578 -5.585 -16.602
93 H SER 11 H SER 11 13.059 2.232 -11.874
94 HA SER 11 HA SER 11 13.590 4.271 -13.808
95 HB2 SER 11 2HB SER 11 12.454 5.665 -12.404
96 HB3 SER 11 3HB SER 11 11.918 4.141 -11.698
97 HG SER 11 HG SER 11 13.702 4.350 -10.220
98 H MET 12 H MET 12 15.329 2.858 -11.148
99 HA MET 12 HA MET 12 17.198 4.891 -10.665
100 HB2 MET 12 2HB MET 12 16.752 2.712 -9.354
101 HB3 MET 12 3HB MET 12 17.874 1.967 -10.485
102 HG2 MET 12 2HG MET 12 19.617 3.519 -9.801
103 HG3 MET 12 3HG MET 12 18.494 4.302 -8.691
104 HE1 MET 12 3HE MET 12 21.527 2.240 -8.418
105 HE2 MET 12 1HE MET 12 21.025 3.690 -7.547
106 HE3 MET 12 2HE MET 12 21.266 2.176 -6.675
107 H PHE 13 H PHE 13 16.916 2.593 -13.240
108 HA PHE 13 HA PHE 13 19.621 2.748 -14.139
109 HB2 PHE 13 2HB PHE 13 17.087 1.574 -15.142
110 HB3 PHE 13 3HB PHE 13 18.319 1.935 -16.347
111 HD1 PHE 13 HD2 PHE 13 17.920 0.248 -13.049
112 HD2 PHE 13 HD1 PHE 13 19.937 0.361 -16.796
113 HE1 PHE 13 HE2 PHE 13 19.077 -1.849 -12.486
114 HE2 PHE 13 HE1 PHE 13 21.097 -1.736 -16.239
115 HZ PHE 13 HZ PHE 13 20.669 -2.844 -14.081
116 HA PRO 14 HA PRO 14 19.589 6.412 -16.559
117 HB2 PRO 14 2HB PRO 14 21.091 5.715 -18.705
118 HB3 PRO 14 3HB PRO 14 21.775 5.933 -17.090
119 HG2 PRO 14 2HG PRO 14 21.054 3.411 -18.519
120 HG3 PRO 14 3HG PRO 14 22.452 3.754 -17.482
121 HD2 PRO 14 2HD PRO 14 20.248 2.378 -16.683
122 HD3 PRO 14 3HD PRO 14 21.290 3.289 -15.571
123 H SER 15 H SER 15 18.153 3.571 -17.774
124 HA SER 15 HA SER 15 17.354 4.533 -20.333
125 HB2 SER 15 2HB SER 15 17.465 2.092 -19.507
126 HB3 SER 15 3HB SER 15 15.890 2.407 -18.779
127 HG SER 15 HG SER 15 16.351 3.018 -21.487
128 H SER 16 H SER 16 16.389 5.328 -17.221
129 HA SER 16 HA SER 16 13.608 5.749 -17.639
130 HB2 SER 16 2HB SER 16 14.654 5.519 -15.390
131 HB3 SER 16 3HB SER 16 15.423 7.089 -15.620
132 HG SER 16 HG SER 16 12.688 6.479 -15.312
133 H GLU 17 H GLU 17 16.471 7.598 -18.308
134 HA GLU 17 HA GLU 17 14.966 10.037 -18.810
135 HB2 GLU 17 2HB GLU 17 17.049 11.123 -19.072
136 HB3 GLU 17 3HB GLU 17 17.270 9.993 -17.743
137 HG2 GLU 17 2HG GLU 17 19.087 9.302 -18.806
138 HG3 GLU 17 3HG GLU 17 17.999 8.521 -19.951
Start of MODEL 12
1 H1 ARG 1 H ARG 1 2.575 2.956 -0.919
2 HA ARG 1 HA ARG 1 1.833 0.556 -0.061
3 HB2 ARG 1 2HB ARG 1 2.166 0.425 -3.041
4 HB3 ARG 1 3HB ARG 1 2.511 -0.982 -2.045
5 HG2 ARG 1 2HG ARG 1 -0.106 0.466 -1.861
6 HG3 ARG 1 3HG ARG 1 0.185 -0.784 -3.072
7 HD2 ARG 1 2HD ARG 1 -0.636 -2.120 -1.439
8 HD3 ARG 1 3HD ARG 1 1.044 -2.087 -0.904
9 HE ARG 1 HE ARG 1 -0.582 0.009 0.212
10 HH11 ARG 1 1HH1 ARG 1 0.498 -3.283 0.558
11 HH12 ARG 1 2HH1 ARG 1 0.220 -3.332 2.267
12 HH21 ARG 1 1HH2 ARG 1 -0.952 -0.043 2.462
13 HH22 ARG 1 2HH2 ARG 1 -0.605 -1.489 3.349
14 H SEP 2 H SEP 2 3.555 -0.900 0.489
15 HA SEP 2 HA SEP 2 6.164 0.492 0.379
16 HB2 SEP 2 2HB SEP 2 5.466 -0.364 2.614
17 HB3 SEP 2 3HB SEP 2 5.211 -1.978 1.998
18 H LYS 3 H LYS 3 4.483 -1.922 -1.252
19 HA LYS 3 HA LYS 3 6.826 -3.303 -2.251
20 HB2 LYS 3 2HB LYS 3 4.243 -4.080 -1.898
21 HB3 LYS 3 3HB LYS 3 4.239 -3.701 -3.616
22 HG2 LYS 3 2HG LYS 3 5.486 -5.488 -4.144
23 HG3 LYS 3 3HG LYS 3 6.517 -5.319 -2.721
24 HD2 LYS 3 2HD LYS 3 3.757 -6.111 -2.129
25 HD3 LYS 3 3HD LYS 3 4.660 -7.285 -3.088
26 HE2 LYS 3 2HE LYS 3 6.345 -7.473 -1.432
27 HE3 LYS 3 3HE LYS 3 5.741 -6.065 -0.559
28 HZ1 LYS 3 3HZ LYS 3 4.682 -8.800 -0.632
29 HZ2 LYS 3 1HZ LYS 3 3.602 -7.520 -0.392
30 HZ3 LYS 3 2HZ LYS 3 4.883 -7.759 0.686
31 H ASP 4 H ASP 4 5.373 -0.409 -2.914
32 HA ASP 4 HA ASP 4 5.619 -0.449 -5.787
33 HB2 ASP 4 2HB ASP 4 4.477 1.300 -3.795
34 HB3 ASP 4 3HB ASP 4 5.482 2.219 -4.912
35 H LEU 5 H LEU 5 7.674 0.163 -3.120
36 HA LEU 5 HA LEU 5 9.475 2.004 -4.229
37 HB2 LEU 5 2HB LEU 5 9.305 1.186 -1.827
38 HB3 LEU 5 3HB LEU 5 10.238 -0.214 -2.351
39 HG LEU 5 HG LEU 5 12.001 1.478 -3.119
40 HD11 LEU 5 1HD1 LEU 5 11.200 3.372 -1.080
41 HD12 LEU 5 2HD1 LEU 5 10.039 3.294 -2.405
42 HD13 LEU 5 3HD1 LEU 5 11.733 3.652 -2.738
43 HD21 LEU 5 3HD2 LEU 5 12.721 1.805 -0.649
44 HD22 LEU 5 1HD2 LEU 5 12.606 0.172 -1.307
45 HD23 LEU 5 2HD2 LEU 5 11.314 0.804 -0.286
46 H ARG 6 H ARG 6 8.903 -1.287 -4.954
47 HA ARG 6 HA ARG 6 11.505 -1.909 -5.971
48 HB2 ARG 6 2HB ARG 6 9.012 -3.282 -5.569
49 HB3 ARG 6 3HB ARG 6 9.592 -3.579 -7.203
50 HG2 ARG 6 2HG ARG 6 11.795 -4.231 -6.198
51 HG3 ARG 6 3HG ARG 6 11.015 -4.148 -4.617
52 HD2 ARG 6 2HD ARG 6 9.434 -5.692 -6.469
53 HD3 ARG 6 3HD ARG 6 11.076 -6.325 -6.367
54 HE ARG 6 HE ARG 6 9.054 -6.538 -4.392
55 HH11 ARG 6 1HH1 ARG 6 12.485 -6.099 -4.789
56 HH12 ARG 6 2HH1 ARG 6 12.885 -6.810 -3.260
57 HH21 ARG 6 1HH2 ARG 6 9.568 -7.476 -2.377
58 HH22 ARG 6 2HH2 ARG 6 11.225 -7.593 -1.889
59 H HIS 7 H HIS 7 8.861 -0.119 -7.135
60 HA HIS 7 HA HIS 7 9.176 -0.586 -9.922
61 HB2 HIS 7 2HB HIS 7 7.108 0.343 -8.945
62 HB3 HIS 7 3HB HIS 7 7.982 1.808 -8.508
63 HD1 HIS 7 HD1 HIS 7 7.576 -0.146 -11.760
64 HD2 HIS 7 HD2 HIS 7 7.409 3.738 -10.293
65 HE1 HIS 7 HE1 HIS 7 7.040 1.301 -13.746
66 H ALA 8 H ALA 8 10.989 1.168 -7.643
67 HA ALA 8 HA ALA 8 12.027 3.172 -9.403
68 HB1 ALA 8 1HB ALA 8 13.605 3.649 -7.612
69 HB2 ALA 8 2HB ALA 8 11.967 3.492 -6.976
70 HB3 ALA 8 3HB ALA 8 13.121 2.174 -6.775
71 H PHE 9 H PHE 9 12.550 -0.134 -9.118
72 HA PHE 9 HA PHE 9 15.320 -0.326 -9.611
73 HB2 PHE 9 2HB PHE 9 13.439 -2.134 -9.005
74 HB3 PHE 9 3HB PHE 9 13.510 -2.394 -10.745
75 HD1 PHE 9 HD1 PHE 9 15.726 -2.974 -11.789
76 HD2 PHE 9 HD2 PHE 9 15.080 -3.003 -7.582
77 HE1 PHE 9 HE1 PHE 9 17.717 -4.390 -11.497
78 HE2 PHE 9 HE2 PHE 9 17.070 -4.418 -7.283
79 HZ PHE 9 HZ PHE 9 18.392 -5.112 -9.241
80 H ARG 10 H ARG 10 12.667 0.516 -11.625
81 HA ARG 10 HA ARG 10 14.067 -0.077 -14.098
82 HB2 ARG 10 2HB ARG 10 11.924 -0.317 -14.717
83 HB3 ARG 10 3HB ARG 10 11.339 0.570 -13.316
84 HG2 ARG 10 2HG ARG 10 11.703 2.673 -14.448
85 HG3 ARG 10 3HG ARG 10 12.404 1.833 -15.833
86 HD2 ARG 10 2HD ARG 10 10.190 0.603 -16.015
87 HD3 ARG 10 3HD ARG 10 9.557 1.781 -14.866
88 HE ARG 10 HE ARG 10 10.060 2.194 -17.644
89 HH11 ARG 10 1HH1 ARG 10 10.000 3.766 -14.538
90 HH12 ARG 10 2HH1 ARG 10 9.690 5.339 -15.194
91 HH21 ARG 10 1HH2 ARG 10 9.652 4.261 -18.520
92 HH22 ARG 10 2HH2 ARG 10 9.492 5.619 -17.459
93 H SER 11 H SER 11 13.333 2.670 -12.059
94 HA SER 11 HA SER 11 14.136 4.656 -13.953
95 HB2 SER 11 2HB SER 11 13.001 4.604 -11.316
96 HB3 SER 11 3HB SER 11 14.388 5.693 -11.330
97 HG SER 11 HG SER 11 12.583 6.847 -11.954
98 H MET 12 H MET 12 15.747 2.725 -11.549
99 HA MET 12 HA MET 12 18.125 4.308 -11.421
100 HB2 MET 12 2HB MET 12 17.214 1.702 -10.356
101 HB3 MET 12 3HB MET 12 18.950 1.879 -10.572
102 HG2 MET 12 2HG MET 12 19.085 3.628 -9.043
103 HG3 MET 12 3HG MET 12 17.355 3.952 -9.121
104 HE1 MET 12 3HE MET 12 19.690 2.324 -6.191
105 HE2 MET 12 1HE MET 12 19.224 3.884 -6.871
106 HE3 MET 12 2HE MET 12 18.261 3.161 -5.582
107 H PHE 13 H PHE 13 16.870 2.085 -13.668
108 HA PHE 13 HA PHE 13 19.348 1.079 -14.677
109 HB2 PHE 13 2HB PHE 13 16.500 0.836 -15.339
110 HB3 PHE 13 3HB PHE 13 17.560 0.799 -16.744
111 HD1 PHE 13 HD1 PHE 13 17.910 -0.552 -13.286
112 HD2 PHE 13 HD2 PHE 13 17.791 -1.369 -17.461
113 HE1 PHE 13 HE1 PHE 13 18.418 -2.917 -12.834
114 HE2 PHE 13 HE2 PHE 13 18.297 -3.735 -17.017
115 HZ PHE 13 HZ PHE 13 18.611 -4.512 -14.701
116 HA PRO 14 HA PRO 14 20.572 4.267 -17.436
117 HB2 PRO 14 2HB PRO 14 21.517 2.877 -19.562
118 HB3 PRO 14 3HB PRO 14 22.350 2.924 -18.004
119 HG2 PRO 14 2HG PRO 14 20.599 0.796 -19.154
120 HG3 PRO 14 3HG PRO 14 22.090 0.634 -18.208
121 HD2 PRO 14 2HD PRO 14 19.590 0.305 -17.196
122 HD3 PRO 14 3HD PRO 14 20.984 0.808 -16.219
123 H SER 15 H SER 15 18.307 1.893 -18.635
124 HA SER 15 HA SER 15 17.685 3.217 -21.077
125 HB2 SER 15 2HB SER 15 15.546 1.572 -19.926
126 HB3 SER 15 3HB SER 15 16.378 1.418 -21.473
127 HG SER 15 HG SER 15 16.699 -0.074 -19.341
128 H SER 16 H SER 16 16.996 3.939 -17.867
129 HA SER 16 HA SER 16 14.421 5.165 -18.310
130 HB2 SER 16 2HB SER 16 14.954 4.189 -16.124
131 HB3 SER 16 3HB SER 16 16.294 5.320 -15.934
132 HG SER 16 HG SER 16 14.898 6.954 -15.649
133 H GLU 17 H GLU 17 17.586 6.028 -18.954
134 HA GLU 17 HA GLU 17 17.426 8.829 -18.384
135 HB2 GLU 17 2HB GLU 17 19.574 7.605 -18.500
136 HB3 GLU 17 3HB GLU 17 19.318 7.351 -20.220
137 HG2 GLU 17 2HG GLU 17 19.894 9.460 -20.760
138 HG3 GLU 17 3HG GLU 17 19.190 10.145 -19.297
Start of MODEL 13
1 H1 ARG 1 H ARG 1 3.329 3.072 -2.142
2 HA ARG 1 HA ARG 1 1.847 1.430 -0.333
3 HB2 ARG 1 2HB ARG 1 2.479 0.283 -3.058
4 HB3 ARG 1 3HB ARG 1 1.820 -0.608 -1.693
5 HG2 ARG 1 2HG ARG 1 0.301 1.772 -2.544
6 HG3 ARG 1 3HG ARG 1 0.322 0.409 -3.666
7 HD2 ARG 1 2HD ARG 1 -1.423 -0.301 -2.430
8 HD3 ARG 1 3HD ARG 1 -0.159 -0.880 -1.346
9 HE ARG 1 HE ARG 1 -0.875 1.802 -0.748
10 HH11 ARG 1 1HH1 ARG 1 -1.938 -1.494 -0.395
11 HH12 ARG 1 2HH1 ARG 1 -2.853 -1.182 1.043
12 HH21 ARG 1 1HH2 ARG 1 -2.075 2.225 1.145
13 HH22 ARG 1 2HH2 ARG 1 -2.930 0.934 1.918
14 H SEP 2 H SEP 2 3.136 -0.740 0.058
15 HA SEP 2 HA SEP 2 5.916 0.157 0.498
16 HB2 SEP 2 2HB SEP 2 4.095 -1.515 1.987
17 HB3 SEP 2 3HB SEP 2 5.344 -2.613 1.457
18 H LYS 3 H LYS 3 4.123 -1.827 -1.620
19 HA LYS 3 HA LYS 3 6.431 -3.267 -2.621
20 HB2 LYS 3 2HB LYS 3 3.910 -4.036 -2.490
21 HB3 LYS 3 3HB LYS 3 3.802 -3.220 -4.044
22 HG2 LYS 3 2HG LYS 3 4.343 -5.267 -4.812
23 HG3 LYS 3 3HG LYS 3 5.983 -4.698 -4.491
24 HD2 LYS 3 2HD LYS 3 5.731 -5.714 -2.180
25 HD3 LYS 3 3HD LYS 3 4.270 -6.495 -2.790
26 HE2 LYS 3 2HE LYS 3 5.728 -7.405 -4.663
27 HE3 LYS 3 3HE LYS 3 7.109 -6.867 -3.710
28 HZ1 LYS 3 3HZ LYS 3 6.626 -8.371 -2.022
29 HZ2 LYS 3 1HZ LYS 3 6.331 -9.261 -3.431
30 HZ3 LYS 3 2HZ LYS 3 5.038 -8.622 -2.548
31 H ASP 4 H ASP 4 5.279 -0.205 -2.999
32 HA ASP 4 HA ASP 4 5.734 0.073 -5.839
33 HB2 ASP 4 2HB ASP 4 4.533 1.647 -3.746
34 HB3 ASP 4 3HB ASP 4 5.701 2.621 -4.635
35 H LEU 5 H LEU 5 7.598 0.211 -2.973
36 HA LEU 5 HA LEU 5 9.606 2.025 -3.748
37 HB2 LEU 5 2HB LEU 5 9.052 0.533 -1.515
38 HB3 LEU 5 3HB LEU 5 10.516 -0.232 -2.129
39 HG LEU 5 HG LEU 5 10.724 2.671 -2.030
40 HD11 LEU 5 1HD1 LEU 5 10.568 1.297 0.631
41 HD12 LEU 5 2HD1 LEU 5 9.172 2.108 -0.079
42 HD13 LEU 5 3HD1 LEU 5 10.636 3.023 0.278
43 HD21 LEU 5 3HD2 LEU 5 12.847 2.173 -1.063
44 HD22 LEU 5 1HD2 LEU 5 12.563 1.007 -2.356
45 HD23 LEU 5 2HD2 LEU 5 12.348 0.527 -0.672
46 H ARG 6 H ARG 6 8.865 -1.121 -4.835
47 HA ARG 6 HA ARG 6 11.499 -1.880 -5.657
48 HB2 ARG 6 2HB ARG 6 8.736 -2.927 -6.144
49 HB3 ARG 6 3HB ARG 6 10.066 -3.501 -7.140
50 HG2 ARG 6 2HG ARG 6 10.473 -3.537 -4.211
51 HG3 ARG 6 3HG ARG 6 9.327 -4.698 -4.884
52 HD2 ARG 6 2HD ARG 6 11.236 -5.170 -6.593
53 HD3 ARG 6 3HD ARG 6 12.265 -4.432 -5.365
54 HE ARG 6 HE ARG 6 12.092 -6.355 -4.158
55 HH11 ARG 6 1HH1 ARG 6 9.416 -6.201 -6.379
56 HH12 ARG 6 2HH1 ARG 6 8.819 -7.776 -5.972
57 HH21 ARG 6 1HH2 ARG 6 11.316 -8.430 -3.614
58 HH22 ARG 6 2HH2 ARG 6 9.900 -9.043 -4.399
59 H HIS 7 H HIS 7 9.197 0.288 -6.856
60 HA HIS 7 HA HIS 7 9.783 0.038 -9.644
61 HB2 HIS 7 2HB HIS 7 7.670 1.025 -8.655
62 HB3 HIS 7 3HB HIS 7 8.620 2.451 -8.250
63 HD1 HIS 7 HD1 HIS 7 9.046 0.610 -11.500
64 HD2 HIS 7 HD2 HIS 7 7.347 4.118 -10.060
65 HE1 HIS 7 HE1 HIS 7 8.433 1.947 -13.540
66 H ALA 8 H ALA 8 11.419 1.399 -7.010
67 HA ALA 8 HA ALA 8 12.740 3.531 -8.389
68 HB1 ALA 8 1HB ALA 8 12.474 3.628 -5.988
69 HB2 ALA 8 2HB ALA 8 13.416 2.149 -5.796
70 HB3 ALA 8 3HB ALA 8 14.189 3.615 -6.397
71 H PHE 9 H PHE 9 13.073 0.177 -8.436
72 HA PHE 9 HA PHE 9 15.904 0.020 -8.814
73 HB2 PHE 9 2HB PHE 9 13.918 -1.809 -8.292
74 HB3 PHE 9 3HB PHE 9 14.308 -2.149 -9.975
75 HD1 PHE 9 HD2 PHE 9 16.755 -2.561 -10.562
76 HD2 PHE 9 HD1 PHE 9 15.261 -2.616 -6.576
77 HE1 PHE 9 HE2 PHE 9 18.724 -3.851 -9.845
78 HE2 PHE 9 HE1 PHE 9 17.228 -3.905 -5.853
79 HZ PHE 9 HZ PHE 9 18.962 -4.526 -7.489
80 H ARG 10 H ARG 10 13.225 0.786 -10.819
81 HA ARG 10 HA ARG 10 14.521 0.120 -13.307
82 HB2 ARG 10 2HB ARG 10 12.020 1.719 -12.732
83 HB3 ARG 10 3HB ARG 10 12.569 1.256 -14.337
84 HG2 ARG 10 2HG ARG 10 12.525 -1.149 -13.075
85 HG3 ARG 10 3HG ARG 10 11.183 -0.312 -12.292
86 HD2 ARG 10 2HD ARG 10 10.163 0.143 -14.430
87 HD3 ARG 10 3HD ARG 10 11.550 -0.542 -15.275
88 HE ARG 10 HE ARG 10 10.327 -2.406 -13.487
89 HH11 ARG 10 1HH1 ARG 10 10.113 -0.977 -16.654
90 HH12 ARG 10 2HH1 ARG 10 9.266 -2.321 -17.346
91 HH21 ARG 10 1HH2 ARG 10 9.213 -4.182 -14.386
92 HH22 ARG 10 2HH2 ARG 10 8.754 -4.143 -16.055
93 H SER 11 H SER 11 14.514 2.764 -11.141
94 HA SER 11 HA SER 11 15.101 4.832 -13.016
95 HB2 SER 11 2HB SER 11 14.196 5.081 -10.619
96 HB3 SER 11 3HB SER 11 15.871 4.884 -10.102
97 HG SER 11 HG SER 11 15.927 6.657 -12.020
98 H MET 12 H MET 12 16.964 2.410 -11.391
99 HA MET 12 HA MET 12 19.507 3.674 -11.679
100 HB2 MET 12 2HB MET 12 18.470 1.184 -10.620
101 HB3 MET 12 3HB MET 12 19.937 0.914 -11.551
102 HG2 MET 12 2HG MET 12 20.601 3.094 -10.042
103 HG3 MET 12 3HG MET 12 19.568 2.174 -8.950
104 HE1 MET 12 3HE MET 12 23.716 1.469 -10.392
105 HE2 MET 12 1HE MET 12 22.643 2.866 -10.488
106 HE3 MET 12 2HE MET 12 23.403 2.441 -8.954
107 H PHE 13 H PHE 13 17.408 2.178 -13.856
108 HA PHE 13 HA PHE 13 19.468 1.206 -15.648
109 HB2 PHE 13 2HB PHE 13 16.511 1.082 -15.517
110 HB3 PHE 13 3HB PHE 13 17.214 1.081 -17.131
111 HD1 PHE 13 HD2 PHE 13 18.742 -0.406 -14.117
112 HD2 PHE 13 HD1 PHE 13 16.697 -1.122 -17.780
113 HE1 PHE 13 HE2 PHE 13 19.214 -2.811 -13.907
114 HE2 PHE 13 HE1 PHE 13 17.164 -3.529 -17.575
115 HZ PHE 13 HZ PHE 13 18.426 -4.376 -15.637
116 HA PRO 14 HA PRO 14 19.855 4.764 -18.191
117 HB2 PRO 14 2HB PRO 14 20.082 3.696 -20.671
118 HB3 PRO 14 3HB PRO 14 21.350 3.550 -19.448
119 HG2 PRO 14 2HG PRO 14 19.293 1.558 -20.294
120 HG3 PRO 14 3HG PRO 14 20.995 1.303 -19.868
121 HD2 PRO 14 2HD PRO 14 18.915 0.785 -18.202
122 HD3 PRO 14 3HD PRO 14 20.551 1.182 -17.636
123 H SER 15 H SER 15 17.280 2.529 -18.934
124 HA SER 15 HA SER 15 15.971 4.129 -20.887
125 HB2 SER 15 2HB SER 15 15.515 1.752 -20.779
126 HB3 SER 15 3HB SER 15 14.935 1.899 -19.121
127 HG SER 15 HG SER 15 13.643 2.401 -21.481
128 H SER 16 H SER 16 16.318 4.454 -17.554
129 HA SER 16 HA SER 16 13.791 5.595 -16.909
130 HB2 SER 16 2HB SER 16 14.914 4.848 -15.020
131 HB3 SER 16 3HB SER 16 16.469 5.471 -15.572
132 HG SER 16 HG SER 16 14.283 7.091 -14.764
133 H GLU 17 H GLU 17 16.785 6.841 -18.200
134 HA GLU 17 HA GLU 17 15.948 9.604 -17.872
135 HB2 GLU 17 2HB GLU 17 18.376 8.620 -17.731
136 HB3 GLU 17 3HB GLU 17 18.332 8.774 -19.482
137 HG2 GLU 17 2HG GLU 17 18.469 11.016 -19.426
138 HG3 GLU 17 3HG GLU 17 17.473 11.150 -17.978
Start of MODEL 14
1 H1 ARG 1 H ARG 1 3.083 2.595 -0.122
2 HA ARG 1 HA ARG 1 3.757 0.479 0.814
3 HB2 ARG 1 2HB ARG 1 3.235 0.255 -2.155
4 HB3 ARG 1 3HB ARG 1 3.215 -1.106 -1.041
5 HG2 ARG 1 2HG ARG 1 1.480 1.251 -0.486
6 HG3 ARG 1 3HG ARG 1 1.000 0.092 -1.727
7 HD2 ARG 1 2HD ARG 1 0.250 -1.293 -0.163
8 HD3 ARG 1 3HD ARG 1 1.854 -1.354 0.567
9 HE ARG 1 HE ARG 1 1.080 -0.009 2.236
10 HH11 ARG 1 1HH1 ARG 1 -1.015 0.331 -0.523
11 HH12 ARG 1 2HH1 ARG 1 -2.152 1.346 0.301
12 HH21 ARG 1 1HH2 ARG 1 -0.410 1.327 3.332
13 HH22 ARG 1 2HH2 ARG 1 -1.806 1.912 2.493
14 H SEP 2 H SEP 2 5.211 -1.304 0.854
15 HA SEP 2 HA SEP 2 7.887 -0.530 -0.073
16 HB2 SEP 2 2HB SEP 2 7.697 -3.269 1.141
17 HB3 SEP 2 3HB SEP 2 8.661 -1.904 1.644
18 H LYS 3 H LYS 3 5.310 -2.503 -1.127
19 HA LYS 3 HA LYS 3 6.778 -4.213 -2.866
20 HB2 LYS 3 2HB LYS 3 3.911 -3.531 -2.447
21 HB3 LYS 3 3HB LYS 3 4.355 -4.265 -3.982
22 HG2 LYS 3 2HG LYS 3 4.179 -6.232 -2.981
23 HG3 LYS 3 3HG LYS 3 5.638 -5.822 -2.076
24 HD2 LYS 3 2HD LYS 3 4.386 -6.026 -0.238
25 HD3 LYS 3 3HD LYS 3 3.638 -4.498 -0.709
26 HE2 LYS 3 2HE LYS 3 1.900 -6.092 -0.282
27 HE3 LYS 3 3HE LYS 3 1.965 -5.792 -2.018
28 HZ1 LYS 3 3HZ LYS 3 1.737 -8.168 -1.400
29 HZ2 LYS 3 1HZ LYS 3 3.271 -8.103 -0.690
30 HZ3 LYS 3 2HZ LYS 3 3.097 -7.845 -2.353
31 H ASP 4 H ASP 4 5.398 -1.017 -3.159
32 HA ASP 4 HA ASP 4 5.780 -0.920 -6.028
33 HB2 ASP 4 2HB ASP 4 4.329 0.603 -4.067
34 HB3 ASP 4 3HB ASP 4 5.342 1.682 -5.023
35 H LEU 5 H LEU 5 7.608 -0.276 -3.216
36 HA LEU 5 HA LEU 5 9.297 1.775 -4.149
37 HB2 LEU 5 2HB LEU 5 8.979 0.600 -1.784
38 HB3 LEU 5 3HB LEU 5 10.384 -0.309 -2.336
39 HG LEU 5 HG LEU 5 11.117 2.304 -2.802
40 HD11 LEU 5 1HD1 LEU 5 10.677 3.144 -0.330
41 HD12 LEU 5 2HD1 LEU 5 9.220 2.170 -0.525
42 HD13 LEU 5 3HD1 LEU 5 9.556 3.489 -1.647
43 HD21 LEU 5 3HD2 LEU 5 12.270 0.253 -1.692
44 HD22 LEU 5 1HD2 LEU 5 11.709 0.984 -0.188
45 HD23 LEU 5 2HD2 LEU 5 12.782 1.885 -1.259
46 H ARG 6 H ARG 6 9.067 -1.525 -4.988
47 HA ARG 6 HA ARG 6 11.784 -1.908 -5.801
48 HB2 ARG 6 2HB ARG 6 10.386 -3.815 -5.210
49 HB3 ARG 6 3HB ARG 6 9.270 -3.428 -6.512
50 HG2 ARG 6 2HG ARG 6 12.032 -3.774 -7.395
51 HG3 ARG 6 3HG ARG 6 11.322 -5.215 -6.663
52 HD2 ARG 6 2HD ARG 6 9.627 -3.758 -8.591
53 HD3 ARG 6 3HD ARG 6 11.044 -4.566 -9.260
54 HE ARG 6 HE ARG 6 9.634 -6.315 -7.544
55 HH11 ARG 6 1HH1 ARG 6 9.457 -4.838 -10.691
56 HH12 ARG 6 2HH1 ARG 6 8.512 -6.115 -11.381
57 HH21 ARG 6 1HH2 ARG 6 8.390 -8.003 -8.441
58 HH22 ARG 6 2HH2 ARG 6 7.905 -7.915 -10.101
59 H HIS 7 H HIS 7 9.088 -0.321 -7.147
60 HA HIS 7 HA HIS 7 9.773 -0.648 -9.907
61 HB2 HIS 7 2HB HIS 7 7.885 1.148 -8.409
62 HB3 HIS 7 3HB HIS 7 8.188 1.390 -10.127
63 HD1 HIS 7 HD1 HIS 7 5.988 -0.346 -7.905
64 HD2 HIS 7 HD2 HIS 7 7.635 -1.148 -11.635
65 HE1 HIS 7 HE1 HIS 7 4.542 -2.143 -8.906
66 H ALA 8 H ALA 8 10.982 1.257 -7.370
67 HA ALA 8 HA ALA 8 11.849 3.505 -8.913
68 HB1 ALA 8 1HB ALA 8 13.122 4.125 -6.932
69 HB2 ALA 8 2HB ALA 8 11.474 3.666 -6.500
70 HB3 ALA 8 3HB ALA 8 12.805 2.543 -6.219
71 H PHE 9 H PHE 9 13.043 0.327 -8.368
72 HA PHE 9 HA PHE 9 15.798 0.780 -8.788
73 HB2 PHE 9 2HB PHE 9 13.993 -1.590 -8.872
74 HB3 PHE 9 3HB PHE 9 15.578 -1.739 -9.624
75 HD1 PHE 9 HD2 PHE 9 14.616 0.156 -6.579
76 HD2 PHE 9 HD1 PHE 9 16.743 -3.156 -8.200
77 HE1 PHE 9 HE2 PHE 9 15.615 -0.277 -4.373
78 HE2 PHE 9 HE1 PHE 9 17.745 -3.595 -5.996
79 HZ PHE 9 HZ PHE 9 17.183 -2.154 -4.080
80 H ARG 10 H ARG 10 13.101 0.683 -10.923
81 HA ARG 10 HA ARG 10 14.548 0.052 -13.307
82 HB2 ARG 10 2HB ARG 10 12.150 -0.365 -13.157
83 HB3 ARG 10 3HB ARG 10 11.846 1.351 -12.917
84 HG2 ARG 10 2HG ARG 10 12.220 1.868 -15.116
85 HG3 ARG 10 3HG ARG 10 13.281 0.482 -15.374
86 HD2 ARG 10 2HD ARG 10 11.581 -0.716 -16.151
87 HD3 ARG 10 3HD ARG 10 10.679 -0.451 -14.659
88 HE ARG 10 HE ARG 10 9.445 1.163 -15.724
89 HH11 ARG 10 1HH1 ARG 10 12.230 0.370 -17.656
90 HH12 ARG 10 2HH1 ARG 10 11.695 1.274 -19.033
91 HH21 ARG 10 1HH2 ARG 10 8.730 2.358 -17.530
92 HH22 ARG 10 2HH2 ARG 10 9.705 2.406 -18.960
93 H SER 11 H SER 11 13.930 2.935 -11.492
94 HA SER 11 HA SER 11 14.481 4.779 -13.610
95 HB2 SER 11 2HB SER 11 13.445 4.960 -11.023
96 HB3 SER 11 3HB SER 11 14.972 5.839 -10.950
97 HG SER 11 HG SER 11 13.685 7.362 -11.713
98 H MET 12 H MET 12 16.385 2.955 -11.382
99 HA MET 12 HA MET 12 18.722 4.590 -11.476
100 HB2 MET 12 2HB MET 12 17.923 2.535 -9.892
101 HB3 MET 12 3HB MET 12 19.059 1.706 -10.948
102 HG2 MET 12 2HG MET 12 20.371 4.037 -10.221
103 HG3 MET 12 3HG MET 12 19.553 3.512 -8.752
104 HE1 MET 12 3HE MET 12 22.481 2.524 -7.509
105 HE2 MET 12 1HE MET 12 23.384 2.826 -8.994
106 HE3 MET 12 2HE MET 12 22.114 3.942 -8.493
107 H PHE 13 H PHE 13 17.373 2.133 -13.507
108 HA PHE 13 HA PHE 13 19.840 1.595 -14.908
109 HB2 PHE 13 2HB PHE 13 17.125 0.511 -14.875
110 HB3 PHE 13 3HB PHE 13 17.802 0.617 -16.496
111 HD1 PHE 13 HD1 PHE 13 19.539 -0.078 -13.290
112 HD2 PHE 13 HD2 PHE 13 18.262 -1.588 -17.059
113 HE1 PHE 13 HE1 PHE 13 20.811 -2.146 -12.889
114 HE2 PHE 13 HE2 PHE 13 19.531 -3.658 -16.663
115 HZ PHE 13 HZ PHE 13 20.807 -3.940 -14.576
116 HA PRO 14 HA PRO 14 19.553 4.618 -18.080
117 HB2 PRO 14 2HB PRO 14 20.421 3.263 -20.263
118 HB3 PRO 14 3HB PRO 14 21.493 3.730 -18.937
119 HG2 PRO 14 2HG PRO 14 20.252 1.083 -19.528
120 HG3 PRO 14 3HG PRO 14 21.865 1.452 -18.892
121 HD2 PRO 14 2HD PRO 14 19.798 0.600 -17.359
122 HD3 PRO 14 3HD PRO 14 21.155 1.570 -16.752
123 H SER 15 H SER 15 17.609 1.827 -18.222
124 HA SER 15 HA SER 15 16.312 2.295 -20.710
125 HB2 SER 15 2HB SER 15 15.785 0.573 -18.324
126 HB3 SER 15 3HB SER 15 14.482 0.828 -19.485
127 HG SER 15 HG SER 15 16.990 0.159 -20.498
128 H SER 16 H SER 16 16.113 3.788 -17.662
129 HA SER 16 HA SER 16 13.386 4.717 -17.985
130 HB2 SER 16 2HB SER 16 15.163 4.425 -15.807
131 HB3 SER 16 3HB SER 16 14.833 6.151 -15.952
132 HG SER 16 HG SER 16 12.784 5.820 -15.462
133 H GLU 17 H GLU 17 16.589 5.782 -18.711
134 HA GLU 17 HA GLU 17 15.996 8.571 -18.906
135 HB2 GLU 17 2HB GLU 17 18.296 6.814 -19.467
136 HB3 GLU 17 3HB GLU 17 18.191 8.247 -20.481
137 HG2 GLU 17 2HG GLU 17 17.802 9.426 -18.148
138 HG3 GLU 17 3HG GLU 17 18.680 8.012 -17.567
Start of MODEL 15
1 H1 ARG 1 H ARG 1 3.585 3.485 0.690
2 HA ARG 1 HA ARG 1 3.203 0.607 1.182
3 HB2 ARG 1 2HB ARG 1 2.162 2.220 -0.967
4 HB3 ARG 1 3HB ARG 1 3.254 1.000 -1.605
5 HG2 ARG 1 2HG ARG 1 1.710 -0.566 -1.374
6 HG3 ARG 1 3HG ARG 1 1.532 -0.191 0.341
7 HD2 ARG 1 2HD ARG 1 -0.178 1.347 -0.050
8 HD3 ARG 1 3HD ARG 1 0.240 1.517 -1.754
9 HE ARG 1 HE ARG 1 -1.046 -0.323 -2.224
10 HH11 ARG 1 1HH1 ARG 1 -0.515 -0.128 1.211
11 HH12 ARG 1 2HH1 ARG 1 -1.647 -1.383 1.590
12 HH21 ARG 1 1HH2 ARG 1 -2.540 -1.977 -1.738
13 HH22 ARG 1 2HH2 ARG 1 -2.798 -2.435 -0.089
14 H SEP 2 H SEP 2 5.063 -0.491 1.252
15 HA SEP 2 HA SEP 2 7.472 0.836 0.129
16 HB2 SEP 2 2HB SEP 2 8.052 0.089 2.313
17 HB3 SEP 2 3HB SEP 2 7.003 -1.305 2.257
18 H LYS 3 H LYS 3 5.120 -1.003 -1.011
19 HA LYS 3 HA LYS 3 6.611 -2.940 -2.524
20 HB2 LYS 3 2HB LYS 3 3.851 -2.383 -1.967
21 HB3 LYS 3 3HB LYS 3 4.072 -2.527 -3.706
22 HG2 LYS 3 2HG LYS 3 5.068 -4.717 -3.428
23 HG3 LYS 3 3HG LYS 3 4.945 -4.571 -1.673
24 HD2 LYS 3 2HD LYS 3 2.657 -4.843 -1.677
25 HD3 LYS 3 3HD LYS 3 2.485 -4.263 -3.336
26 HE2 LYS 3 2HE LYS 3 4.089 -6.579 -3.439
27 HE3 LYS 3 3HE LYS 3 2.735 -6.948 -2.373
28 HZ1 LYS 3 3HZ LYS 3 1.253 -6.088 -4.155
29 HZ2 LYS 3 1HZ LYS 3 2.101 -7.489 -4.582
30 HZ3 LYS 3 2HZ LYS 3 2.598 -5.985 -5.175
31 H ASP 4 H ASP 4 5.870 0.365 -2.865
32 HA ASP 4 HA ASP 4 6.060 0.394 -5.756
33 HB2 ASP 4 2HB ASP 4 5.149 2.202 -3.712
34 HB3 ASP 4 3HB ASP 4 6.318 3.018 -4.747
35 H LEU 5 H LEU 5 8.171 0.580 -3.073
36 HA LEU 5 HA LEU 5 10.229 2.182 -4.114
37 HB2 LEU 5 2HB LEU 5 9.852 0.359 -1.892
38 HB3 LEU 5 3HB LEU 5 11.481 0.255 -2.558
39 HG LEU 5 HG LEU 5 11.237 2.929 -2.331
40 HD11 LEU 5 1HD1 LEU 5 10.101 3.541 -0.337
41 HD12 LEU 5 2HD1 LEU 5 9.753 1.858 0.058
42 HD13 LEU 5 3HD1 LEU 5 8.961 2.621 -1.320
43 HD21 LEU 5 3HD2 LEU 5 13.084 1.600 -1.494
44 HD22 LEU 5 1HD2 LEU 5 12.082 1.000 -0.173
45 HD23 LEU 5 2HD2 LEU 5 12.517 2.708 -0.243
46 H ARG 6 H ARG 6 9.176 -0.955 -4.960
47 HA ARG 6 HA ARG 6 11.664 -1.930 -5.985
48 HB2 ARG 6 2HB ARG 6 9.684 -3.342 -5.258
49 HB3 ARG 6 3HB ARG 6 8.903 -2.866 -6.760
50 HG2 ARG 6 2HG ARG 6 9.863 -4.639 -7.683
51 HG3 ARG 6 3HG ARG 6 11.391 -3.764 -7.565
52 HD2 ARG 6 2HD ARG 6 11.743 -4.733 -5.328
53 HD3 ARG 6 3HD ARG 6 10.243 -5.643 -5.503
54 HE ARG 6 HE ARG 6 12.786 -6.282 -6.644
55 HH11 ARG 6 1HH1 ARG 6 9.344 -6.565 -7.082
56 HH12 ARG 6 2HH1 ARG 6 9.454 -7.994 -8.056
57 HH21 ARG 6 1HH2 ARG 6 12.944 -8.163 -7.924
58 HH22 ARG 6 2HH2 ARG 6 11.502 -8.903 -8.533
59 H HIS 7 H HIS 7 9.339 0.285 -7.095
60 HA HIS 7 HA HIS 7 9.652 -0.128 -9.901
61 HB2 HIS 7 2HB HIS 7 8.559 2.154 -8.262
62 HB3 HIS 7 3HB HIS 7 8.642 2.215 -10.020
63 HD1 HIS 7 HD1 HIS 7 6.500 1.602 -11.064
64 HD2 HIS 7 HD2 HIS 7 7.096 -0.428 -7.488
65 HE1 HIS 7 HE1 HIS 7 4.451 0.178 -10.749
66 H ALA 8 H ALA 8 11.589 1.306 -7.507
67 HA ALA 8 HA ALA 8 12.898 3.249 -9.152
68 HB1 ALA 8 1HB ALA 8 14.250 2.146 -6.751
69 HB2 ALA 8 2HB ALA 8 14.089 3.817 -7.295
70 HB3 ALA 8 3HB ALA 8 12.727 3.007 -6.520
71 H PHE 9 H PHE 9 13.159 -0.138 -8.750
72 HA PHE 9 HA PHE 9 15.887 -0.511 -9.356
73 HB2 PHE 9 2HB PHE 9 13.447 -2.213 -9.375
74 HB3 PHE 9 3HB PHE 9 14.840 -2.790 -10.284
75 HD1 PHE 9 HD1 PHE 9 14.606 -0.966 -7.045
76 HD2 PHE 9 HD2 PHE 9 15.782 -4.514 -9.081
77 HE1 PHE 9 HE1 PHE 9 15.599 -1.827 -4.965
78 HE2 PHE 9 HE2 PHE 9 16.775 -5.381 -7.004
79 HZ PHE 9 HZ PHE 9 16.684 -4.037 -4.942
80 H ARG 10 H ARG 10 13.110 0.167 -11.327
81 HA ARG 10 HA ARG 10 14.498 -0.497 -13.795
82 HB2 ARG 10 2HB ARG 10 11.726 0.099 -13.005
83 HB3 ARG 10 3HB ARG 10 12.196 0.749 -14.570
84 HG2 ARG 10 2HG ARG 10 13.151 -1.767 -14.778
85 HG3 ARG 10 3HG ARG 10 11.754 -2.029 -13.731
86 HD2 ARG 10 2HD ARG 10 10.470 -0.604 -15.444
87 HD3 ARG 10 3HD ARG 10 11.842 -0.903 -16.509
88 HE ARG 10 HE ARG 10 11.078 -3.032 -16.819
89 HH11 ARG 10 1HH1 ARG 10 9.589 -1.709 -13.965
90 HH12 ARG 10 2HH1 ARG 10 8.520 -3.054 -13.740
91 HH21 ARG 10 1HH2 ARG 10 9.676 -4.809 -16.534
92 HH22 ARG 10 2HH2 ARG 10 8.571 -4.817 -15.201
93 H SER 11 H SER 11 13.565 2.309 -11.923
94 HA SER 11 HA SER 11 14.181 4.219 -13.964
95 HB2 SER 11 2HB SER 11 12.591 4.767 -12.189
96 HB3 SER 11 3HB SER 11 13.855 4.571 -10.974
97 HG SER 11 HG SER 11 14.323 6.577 -11.326
98 H MET 12 H MET 12 16.036 2.368 -11.802
99 HA MET 12 HA MET 12 18.219 4.191 -11.481
100 HB2 MET 12 2HB MET 12 17.553 1.472 -10.648
101 HB3 MET 12 3HB MET 12 19.251 1.659 -11.065
102 HG2 MET 12 2HG MET 12 19.643 3.169 -9.372
103 HG3 MET 12 3HG MET 12 17.949 3.642 -9.261
104 HE1 MET 12 3HE MET 12 20.017 -0.063 -8.340
105 HE2 MET 12 1HE MET 12 20.730 1.546 -8.464
106 HE3 MET 12 2HE MET 12 20.325 0.881 -6.882
107 H PHE 13 H PHE 13 17.119 2.364 -14.065
108 HA PHE 13 HA PHE 13 19.738 1.861 -15.218
109 HB2 PHE 13 2HB PHE 13 16.983 0.997 -15.748
110 HB3 PHE 13 3HB PHE 13 17.923 1.311 -17.203
111 HD1 PHE 13 HD1 PHE 13 18.551 -0.287 -13.885
112 HD2 PHE 13 HD2 PHE 13 18.863 -0.558 -18.121
113 HE1 PHE 13 HE1 PHE 13 19.621 -2.491 -13.661
114 HE2 PHE 13 HE2 PHE 13 19.933 -2.762 -17.904
115 HZ PHE 13 HZ PHE 13 20.313 -3.732 -15.673
116 HA PRO 14 HA PRO 14 19.974 5.443 -17.745
117 HB2 PRO 14 2HB PRO 14 21.058 4.470 -20.036
118 HB3 PRO 14 3HB PRO 14 21.971 4.620 -18.530
119 HG2 PRO 14 2HG PRO 14 20.737 2.206 -19.766
120 HG3 PRO 14 3HG PRO 14 22.252 2.356 -18.857
121 HD2 PRO 14 2HD PRO 14 19.967 1.354 -17.805
122 HD3 PRO 14 3HD PRO 14 21.274 2.102 -16.865
123 H SER 15 H SER 15 18.218 2.700 -18.989
124 HA SER 15 HA SER 15 17.149 3.969 -21.298
125 HB2 SER 15 2HB SER 15 16.763 1.769 -21.622
126 HB3 SER 15 3HB SER 15 16.807 1.420 -19.894
127 HG SER 15 HG SER 15 14.718 1.229 -21.208
128 H SER 16 H SER 16 16.566 4.403 -18.018
129 HA SER 16 HA SER 16 13.772 5.140 -18.296
130 HB2 SER 16 2HB SER 16 13.713 4.713 -16.098
131 HB3 SER 16 3HB SER 16 15.435 4.337 -16.150
132 HG SER 16 HG SER 16 14.202 6.824 -15.594
133 H GLU 17 H GLU 17 16.908 6.674 -18.072
134 HA GLU 17 HA GLU 17 15.735 9.328 -17.868
135 HB2 GLU 17 2HB GLU 17 18.048 8.314 -16.891
136 HB3 GLU 17 3HB GLU 17 18.633 9.044 -18.379
137 HG2 GLU 17 2HG GLU 17 18.612 11.043 -17.443
138 HG3 GLU 17 3HG GLU 17 16.894 10.886 -17.080
Start of MODEL 16
1 H1 ARG 1 H ARG 1 2.225 0.459 1.855
2 HA ARG 1 HA ARG 1 2.645 -0.906 -0.619
3 HB2 ARG 1 2HB ARG 1 2.840 2.030 0.078
4 HB3 ARG 1 3HB ARG 1 2.892 1.381 -1.556
5 HG2 ARG 1 2HG ARG 1 0.654 0.794 -1.534
6 HG3 ARG 1 3HG ARG 1 0.571 0.785 0.229
7 HD2 ARG 1 2HD ARG 1 1.331 3.389 -0.572
8 HD3 ARG 1 3HD ARG 1 -0.025 2.903 -1.588
9 HE ARG 1 HE ARG 1 -0.090 3.492 1.220
10 HH11 ARG 1 1HH1 ARG 1 -1.628 1.732 -1.361
11 HH12 ARG 1 2HH1 ARG 1 -3.168 1.663 -0.571
12 HH21 ARG 1 1HH2 ARG 1 -2.113 3.408 2.270
13 HH22 ARG 1 2HH2 ARG 1 -3.443 2.617 1.494
14 H SEP 2 H SEP 2 4.634 -1.808 1.026
15 HA SEP 2 HA SEP 2 7.050 -0.209 0.367
16 HB2 SEP 2 2HB SEP 2 7.443 -0.912 2.574
17 HB3 SEP 2 3HB SEP 2 6.374 -2.286 2.453
18 H LYS 3 H LYS 3 5.167 -2.232 -1.206
19 HA LYS 3 HA LYS 3 7.207 -3.886 -2.449
20 HB2 LYS 3 2HB LYS 3 5.408 -4.920 -3.659
21 HB3 LYS 3 3HB LYS 3 4.912 -4.752 -1.980
22 HG2 LYS 3 2HG LYS 3 3.809 -2.550 -2.790
23 HG3 LYS 3 3HG LYS 3 3.950 -3.278 -4.391
24 HD2 LYS 3 2HD LYS 3 2.611 -4.581 -2.022
25 HD3 LYS 3 3HD LYS 3 1.763 -3.707 -3.300
26 HE2 LYS 3 2HE LYS 3 3.417 -5.525 -4.623
27 HE3 LYS 3 3HE LYS 3 2.745 -6.421 -3.262
28 HZ1 LYS 3 3HZ LYS 3 0.689 -4.925 -4.424
29 HZ2 LYS 3 1HZ LYS 3 0.856 -6.607 -4.370
30 HZ3 LYS 3 2HZ LYS 3 1.496 -5.735 -5.670
31 H ASP 4 H ASP 4 5.735 -0.842 -2.926
32 HA ASP 4 HA ASP 4 6.087 -0.701 -5.767
33 HB2 ASP 4 2HB ASP 4 4.928 0.933 -3.707
34 HB3 ASP 4 3HB ASP 4 6.010 1.912 -4.692
35 H LEU 5 H LEU 5 8.123 -0.309 -3.047
36 HA LEU 5 HA LEU 5 9.983 1.552 -4.026
37 HB2 LEU 5 2HB LEU 5 9.895 -0.477 -1.903
38 HB3 LEU 5 3HB LEU 5 11.510 -0.091 -2.493
39 HG LEU 5 HG LEU 5 10.287 2.381 -2.053
40 HD11 LEU 5 1HD1 LEU 5 9.021 2.318 -0.206
41 HD12 LEU 5 2HD1 LEU 5 10.009 1.071 0.553
42 HD13 LEU 5 3HD1 LEU 5 8.780 0.623 -0.629
43 HD21 LEU 5 3HD2 LEU 5 12.589 2.075 -1.668
44 HD22 LEU 5 1HD2 LEU 5 12.308 0.748 -0.541
45 HD23 LEU 5 2HD2 LEU 5 11.890 2.399 -0.081
46 H ARG 6 H ARG 6 9.341 -1.679 -4.939
47 HA ARG 6 HA ARG 6 11.940 -2.314 -5.952
48 HB2 ARG 6 2HB ARG 6 9.794 -3.819 -5.348
49 HB3 ARG 6 3HB ARG 6 9.553 -3.662 -7.083
50 HG2 ARG 6 2HG ARG 6 11.181 -5.106 -7.541
51 HG3 ARG 6 3HG ARG 6 12.292 -4.338 -6.405
52 HD2 ARG 6 2HD ARG 6 11.353 -5.557 -4.567
53 HD3 ARG 6 3HD ARG 6 10.063 -6.192 -5.587
54 HE ARG 6 HE ARG 6 12.468 -6.988 -6.721
55 HH11 ARG 6 1HH1 ARG 6 10.701 -7.490 -3.764
56 HH12 ARG 6 2HH1 ARG 6 11.346 -9.075 -3.495
57 HH21 ARG 6 1HH2 ARG 6 13.324 -9.074 -6.378
58 HH22 ARG 6 2HH2 ARG 6 12.838 -9.975 -4.981
59 H HIS 7 H HIS 7 9.370 -0.383 -7.052
60 HA HIS 7 HA HIS 7 9.767 -0.698 -9.861
61 HB2 HIS 7 2HB HIS 7 7.815 0.441 -8.336
62 HB3 HIS 7 3HB HIS 7 8.664 1.869 -8.921
63 HD1 HIS 7 HD1 HIS 7 7.848 2.712 -11.091
64 HD2 HIS 7 HD2 HIS 7 7.114 -1.353 -10.645
65 HE1 HIS 7 HE1 HIS 7 6.574 2.029 -13.149
66 H ALA 8 H ALA 8 11.470 0.928 -7.409
67 HA ALA 8 HA ALA 8 12.543 3.053 -8.999
68 HB1 ALA 8 1HB ALA 8 12.408 3.272 -6.588
69 HB2 ALA 8 2HB ALA 8 13.493 1.896 -6.380
70 HB3 ALA 8 3HB ALA 8 14.087 3.385 -7.116
71 H PHE 9 H PHE 9 13.235 -0.281 -8.645
72 HA PHE 9 HA PHE 9 15.989 -0.324 -9.185
73 HB2 PHE 9 2HB PHE 9 13.763 -2.258 -9.270
74 HB3 PHE 9 3HB PHE 9 15.122 -2.640 -10.323
75 HD1 PHE 9 HD1 PHE 9 14.187 -1.913 -6.818
76 HD2 PHE 9 HD2 PHE 9 17.110 -3.528 -9.457
77 HE1 PHE 9 HE1 PHE 9 15.412 -2.833 -4.892
78 HE2 PHE 9 HE2 PHE 9 18.339 -4.451 -7.536
79 HZ PHE 9 HZ PHE 9 17.490 -4.105 -5.250
80 H ARG 10 H ARG 10 13.219 0.088 -11.256
81 HA ARG 10 HA ARG 10 14.697 -0.342 -13.696
82 HB2 ARG 10 2HB ARG 10 11.899 0.236 -12.952
83 HB3 ARG 10 3HB ARG 10 12.416 0.890 -14.499
84 HG2 ARG 10 2HG ARG 10 13.361 -1.718 -14.505
85 HG3 ARG 10 3HG ARG 10 11.761 -1.823 -13.768
86 HD2 ARG 10 2HD ARG 10 11.264 -0.149 -15.839
87 HD3 ARG 10 3HD ARG 10 12.542 -1.153 -16.524
88 HE ARG 10 HE ARG 10 10.802 -2.939 -15.428
89 HH11 ARG 10 1HH1 ARG 10 10.518 -0.341 -17.727
90 HH12 ARG 10 2HH1 ARG 10 9.212 -1.078 -18.595
91 HH21 ARG 10 1HH2 ARG 10 9.083 -3.920 -16.562
92 HH22 ARG 10 2HH2 ARG 10 8.396 -3.113 -17.931
93 H SER 11 H SER 11 13.711 2.365 -11.714
94 HA SER 11 HA SER 11 14.254 4.400 -13.622
95 HB2 SER 11 2HB SER 11 12.828 4.626 -11.532
96 HB3 SER 11 3HB SER 11 14.334 4.717 -10.619
97 HG SER 11 HG SER 11 13.950 6.788 -11.055
98 H MET 12 H MET 12 16.234 2.472 -11.588
99 HA MET 12 HA MET 12 18.444 4.246 -11.349
100 HB2 MET 12 2HB MET 12 17.761 1.810 -10.259
101 HB3 MET 12 3HB MET 12 19.091 1.390 -11.329
102 HG2 MET 12 2HG MET 12 20.612 2.674 -10.166
103 HG3 MET 12 3HG MET 12 19.362 3.695 -9.456
104 HE1 MET 12 3HE MET 12 21.715 0.931 -7.353
105 HE2 MET 12 1HE MET 12 21.928 2.232 -8.525
106 HE3 MET 12 2HE MET 12 21.355 2.597 -6.897
107 H PHE 13 H PHE 13 17.295 2.171 -13.852
108 HA PHE 13 HA PHE 13 19.814 1.985 -15.238
109 HB2 PHE 13 2HB PHE 13 17.040 1.024 -15.687
110 HB3 PHE 13 3HB PHE 13 18.045 1.245 -17.116
111 HD1 PHE 13 HD2 PHE 13 18.063 -0.373 -13.767
112 HD2 PHE 13 HD1 PHE 13 19.482 -0.437 -17.779
113 HE1 PHE 13 HE2 PHE 13 19.120 -2.556 -13.354
114 HE2 PHE 13 HE1 PHE 13 20.541 -2.621 -17.373
115 HZ PHE 13 HZ PHE 13 20.362 -3.682 -15.157
116 HA PRO 14 HA PRO 14 19.584 5.599 -17.721
117 HB2 PRO 14 2HB PRO 14 20.583 4.736 -20.094
118 HB3 PRO 14 3HB PRO 14 21.582 4.950 -18.651
119 HG2 PRO 14 2HG PRO 14 20.482 2.453 -19.841
120 HG3 PRO 14 3HG PRO 14 22.024 2.720 -19.007
121 HD2 PRO 14 2HD PRO 14 19.887 1.522 -17.842
122 HD3 PRO 14 3HD PRO 14 21.200 2.358 -16.989
123 H SER 15 H SER 15 17.727 2.865 -18.538
124 HA SER 15 HA SER 15 16.531 3.817 -20.937
125 HB2 SER 15 2HB SER 15 15.581 1.763 -18.927
126 HB3 SER 15 3HB SER 15 14.819 2.055 -20.491
127 HG SER 15 HG SER 15 16.721 1.403 -21.498
128 H SER 16 H SER 16 15.971 4.385 -17.567
129 HA SER 16 HA SER 16 13.296 5.329 -17.782
130 HB2 SER 16 2HB SER 16 14.724 4.597 -15.678
131 HB3 SER 16 3HB SER 16 15.120 6.315 -15.626
132 HG SER 16 HG SER 16 12.745 5.027 -15.073
133 H GLU 17 H GLU 17 16.418 6.751 -18.299
134 HA GLU 17 HA GLU 17 15.452 9.471 -18.220
135 HB2 GLU 17 2HB GLU 17 17.931 8.320 -17.931
136 HB3 GLU 17 3HB GLU 17 18.020 8.997 -19.551
137 HG2 GLU 17 2HG GLU 17 17.297 10.511 -17.052
138 HG3 GLU 17 3HG GLU 17 18.858 10.550 -17.871
Start of MODEL 17
1 H1 ARG 1 H ARG 1 1.829 -1.423 0.509
2 HA ARG 1 HA ARG 1 2.952 -0.243 -1.297
3 HB2 ARG 1 2HB ARG 1 3.002 0.722 1.456
4 HB3 ARG 1 3HB ARG 1 4.247 1.462 0.460
5 HG2 ARG 1 2HG ARG 1 1.739 1.402 -0.945
6 HG3 ARG 1 3HG ARG 1 1.558 2.178 0.630
7 HD2 ARG 1 2HD ARG 1 3.770 3.404 -0.085
8 HD3 ARG 1 3HD ARG 1 3.226 2.978 -1.707
9 HE ARG 1 HE ARG 1 2.150 5.007 -0.022
10 HH11 ARG 1 1HH1 ARG 1 1.319 2.681 -2.476
11 HH12 ARG 1 2HH1 ARG 1 -0.049 3.578 -3.047
12 HH21 ARG 1 1HH2 ARG 1 0.352 6.197 -0.765
13 HH22 ARG 1 2HH2 ARG 1 -0.598 5.578 -2.073
14 H SEP 2 H SEP 2 4.901 -2.069 0.879
15 HA SEP 2 HA SEP 2 7.460 -1.017 -0.027
16 HB2 SEP 2 2HB SEP 2 7.975 -3.612 1.084
17 HB3 SEP 2 3HB SEP 2 8.070 -2.089 1.930
18 H LYS 3 H LYS 3 5.122 -3.011 -1.348
19 HA LYS 3 HA LYS 3 6.771 -4.666 -2.983
20 HB2 LYS 3 2HB LYS 3 4.655 -5.089 -4.239
21 HB3 LYS 3 3HB LYS 3 4.526 -5.380 -2.510
22 HG2 LYS 3 2HG LYS 3 2.822 -3.980 -2.377
23 HG3 LYS 3 3HG LYS 3 3.813 -2.674 -3.030
24 HD2 LYS 3 2HD LYS 3 2.112 -2.778 -4.583
25 HD3 LYS 3 3HD LYS 3 3.321 -3.832 -5.319
26 HE2 LYS 3 2HE LYS 3 2.057 -5.675 -5.053
27 HE3 LYS 3 3HE LYS 3 1.480 -5.171 -3.465
28 HZ1 LYS 3 3HZ LYS 3 0.424 -3.506 -5.510
29 HZ2 LYS 3 1HZ LYS 3 -0.395 -4.430 -4.354
30 HZ3 LYS 3 2HZ LYS 3 0.066 -5.130 -5.823
31 H ASP 4 H ASP 4 5.464 -1.453 -3.269
32 HA ASP 4 HA ASP 4 5.993 -1.239 -6.097
33 HB2 ASP 4 2HB ASP 4 4.601 0.300 -4.098
34 HB3 ASP 4 3HB ASP 4 5.702 1.340 -4.999
35 H LEU 5 H LEU 5 7.756 -0.825 -3.193
36 HA LEU 5 HA LEU 5 9.610 1.137 -3.956
37 HB2 LEU 5 2HB LEU 5 9.291 -0.778 -1.830
38 HB3 LEU 5 3HB LEU 5 10.976 -0.698 -2.343
39 HG LEU 5 HG LEU 5 10.376 0.789 -0.422
40 HD11 LEU 5 1HD1 LEU 5 12.097 2.055 -1.033
41 HD12 LEU 5 2HD1 LEU 5 11.191 2.768 -2.367
42 HD13 LEU 5 3HD1 LEU 5 12.039 1.240 -2.596
43 HD21 LEU 5 3HD2 LEU 5 8.936 2.563 -0.615
44 HD22 LEU 5 1HD2 LEU 5 8.127 1.377 -1.640
45 HD23 LEU 5 2HD2 LEU 5 9.103 2.651 -2.369
46 H ARG 6 H ARG 6 9.201 -2.092 -5.003
47 HA ARG 6 HA ARG 6 11.907 -2.577 -5.800
48 HB2 ARG 6 2HB ARG 6 9.820 -4.208 -5.404
49 HB3 ARG 6 3HB ARG 6 9.672 -4.000 -7.144
50 HG2 ARG 6 2HG ARG 6 11.699 -5.028 -7.573
51 HG3 ARG 6 3HG ARG 6 12.302 -4.744 -5.938
52 HD2 ARG 6 2HD ARG 6 11.610 -6.765 -5.337
53 HD3 ARG 6 3HD ARG 6 9.952 -6.312 -5.730
54 HE ARG 6 HE ARG 6 10.108 -7.556 -7.642
55 HH11 ARG 6 1HH1 ARG 6 13.310 -6.964 -6.411
56 HH12 ARG 6 2HH1 ARG 6 14.083 -8.020 -7.546
57 HH21 ARG 6 1HH2 ARG 6 11.114 -8.949 -9.142
58 HH22 ARG 6 2HH2 ARG 6 12.833 -9.148 -9.100
59 H HIS 7 H HIS 7 9.315 -0.779 -7.092
60 HA HIS 7 HA HIS 7 10.038 -0.980 -9.854
61 HB2 HIS 7 2HB HIS 7 8.242 0.885 -8.311
62 HB3 HIS 7 3HB HIS 7 8.535 1.085 -10.036
63 HD1 HIS 7 HD1 HIS 7 8.168 -2.329 -8.543
64 HD2 HIS 7 HD2 HIS 7 5.915 0.406 -10.712
65 HE1 HIS 7 HE1 HIS 7 6.127 -3.589 -9.300
66 H ALA 8 H ALA 8 11.279 0.723 -7.189
67 HA ALA 8 HA ALA 8 12.278 3.012 -8.577
68 HB1 ALA 8 1HB ALA 8 13.568 2.052 -6.076
69 HB2 ALA 8 2HB ALA 8 13.130 3.689 -6.568
70 HB3 ALA 8 3HB ALA 8 11.884 2.574 -6.007
71 H PHE 9 H PHE 9 13.199 -0.235 -8.499
72 HA PHE 9 HA PHE 9 16.017 0.039 -8.717
73 HB2 PHE 9 2HB PHE 9 14.040 -2.141 -9.193
74 HB3 PHE 9 3HB PHE 9 15.642 -2.313 -9.902
75 HD1 PHE 9 HD2 PHE 9 13.768 -2.014 -6.754
76 HD2 PHE 9 HD1 PHE 9 17.549 -2.773 -8.556
77 HE1 PHE 9 HE2 PHE 9 14.629 -2.828 -4.598
78 HE2 PHE 9 HE1 PHE 9 18.415 -3.589 -6.402
79 HZ PHE 9 HZ PHE 9 16.955 -3.617 -4.419
80 H ARG 10 H ARG 10 13.433 0.558 -10.898
81 HA ARG 10 HA ARG 10 15.045 0.214 -13.283
82 HB2 ARG 10 2HB ARG 10 12.258 1.351 -13.008
83 HB3 ARG 10 3HB ARG 10 13.040 0.849 -14.501
84 HG2 ARG 10 2HG ARG 10 13.181 -1.394 -12.888
85 HG3 ARG 10 3HG ARG 10 11.586 -0.717 -12.554
86 HD2 ARG 10 2HD ARG 10 11.292 -0.565 -15.073
87 HD3 ARG 10 3HD ARG 10 12.731 -1.576 -15.198
88 HE ARG 10 HE ARG 10 10.795 -2.725 -13.459
89 HH11 ARG 10 1HH1 ARG 10 11.583 -2.240 -16.815
90 HH12 ARG 10 2HH1 ARG 10 10.724 -3.644 -17.355
91 HH21 ARG 10 1HH2 ARG 10 9.660 -4.576 -14.158
92 HH22 ARG 10 2HH2 ARG 10 9.629 -4.972 -15.843
93 H SER 11 H SER 11 14.372 2.673 -11.032
94 HA SER 11 HA SER 11 14.605 4.934 -12.741
95 HB2 SER 11 2HB SER 11 13.548 5.105 -10.539
96 HB3 SER 11 3HB SER 11 15.073 4.689 -9.759
97 HG SER 11 HG SER 11 14.370 7.041 -11.144
98 H MET 12 H MET 12 16.877 2.791 -11.274
99 HA MET 12 HA MET 12 19.130 4.552 -11.393
100 HB2 MET 12 2HB MET 12 18.661 2.246 -10.076
101 HB3 MET 12 3HB MET 12 19.576 1.625 -11.443
102 HG2 MET 12 2HG MET 12 21.398 3.168 -10.922
103 HG3 MET 12 3HG MET 12 20.481 3.778 -9.547
104 HE1 MET 12 3HE MET 12 20.359 2.921 -7.415
105 HE2 MET 12 1HE MET 12 21.349 1.623 -6.746
106 HE3 MET 12 2HE MET 12 22.117 3.067 -7.406
107 H PHE 13 H PHE 13 17.469 2.580 -13.652
108 HA PHE 13 HA PHE 13 19.726 2.414 -15.479
109 HB2 PHE 13 2HB PHE 13 17.011 1.217 -15.333
110 HB3 PHE 13 3HB PHE 13 17.692 1.450 -16.940
111 HD1 PHE 13 HD2 PHE 13 18.758 0.152 -13.606
112 HD2 PHE 13 HD1 PHE 13 18.863 -0.299 -17.837
113 HE1 PHE 13 HE2 PHE 13 20.060 -1.919 -13.350
114 HE2 PHE 13 HE1 PHE 13 20.165 -2.372 -17.588
115 HZ PHE 13 HZ PHE 13 20.767 -3.184 -15.342
116 HA PRO 14 HA PRO 14 18.685 5.883 -17.963
117 HB2 PRO 14 2HB PRO 14 19.274 5.002 -20.463
118 HB3 PRO 14 3HB PRO 14 20.513 5.359 -19.254
119 HG2 PRO 14 2HG PRO 14 19.426 2.732 -20.134
120 HG3 PRO 14 3HG PRO 14 21.073 3.160 -19.634
121 HD2 PRO 14 2HD PRO 14 19.311 1.844 -18.046
122 HD3 PRO 14 3HD PRO 14 20.690 2.805 -17.475
123 H SER 15 H SER 15 17.006 2.929 -18.416
124 HA SER 15 HA SER 15 15.256 3.737 -20.507
125 HB2 SER 15 2HB SER 15 14.386 1.647 -20.328
126 HB3 SER 15 3HB SER 15 15.794 1.356 -19.306
127 HG SER 15 HG SER 15 14.561 1.404 -17.557
128 H SER 16 H SER 16 15.506 4.678 -17.293
129 HA SER 16 HA SER 16 12.679 5.191 -16.893
130 HB2 SER 16 2HB SER 16 15.128 5.308 -15.236
131 HB3 SER 16 3HB SER 16 13.880 6.489 -14.840
132 HG SER 16 HG SER 16 12.448 4.839 -14.468
133 H GLU 17 H GLU 17 15.582 6.929 -17.783
134 HA GLU 17 HA GLU 17 14.225 9.500 -17.671
135 HB2 GLU 17 2HB GLU 17 16.313 10.495 -17.974
136 HB3 GLU 17 3HB GLU 17 16.686 9.060 -17.030
137 HG2 GLU 17 2HG GLU 17 17.339 7.898 -19.097
138 HG3 GLU 17 3HG GLU 17 17.027 9.377 -20.004
Start of MODEL 18
1 H1 ARG 1 H ARG 1 4.197 3.827 -0.844
2 HA ARG 1 HA ARG 1 4.217 2.029 0.587
3 HB2 ARG 1 2HB ARG 1 3.102 1.368 -1.946
4 HB3 ARG 1 3HB ARG 1 3.956 -0.050 -1.350
5 HG2 ARG 1 2HG ARG 1 2.677 0.019 0.712
6 HG3 ARG 1 3HG ARG 1 1.852 1.481 0.166
7 HD2 ARG 1 2HD ARG 1 1.765 -1.161 -1.282
8 HD3 ARG 1 3HD ARG 1 0.538 -0.618 -0.138
9 HE ARG 1 HE ARG 1 0.645 1.413 -1.907
10 HH11 ARG 1 1HH1 ARG 1 0.304 -2.032 -2.272
11 HH12 ARG 1 2HH1 ARG 1 -0.635 -1.917 -3.723
12 HH21 ARG 1 1HH2 ARG 1 -0.591 1.578 -3.817
13 HH22 ARG 1 2HH2 ARG 1 -1.143 0.137 -4.602
14 H SEP 2 H SEP 2 5.111 -0.278 0.997
15 HA SEP 2 HA SEP 2 8.011 -0.056 0.633
16 HB2 SEP 2 2HB SEP 2 7.423 -0.847 2.837
17 HB3 SEP 2 3HB SEP 2 6.184 -1.928 2.253
18 H LYS 3 H LYS 3 5.386 -1.707 -0.829
19 HA LYS 3 HA LYS 3 7.015 -3.627 -2.235
20 HB2 LYS 3 2HB LYS 3 4.125 -2.839 -2.648
21 HB3 LYS 3 3HB LYS 3 4.924 -4.218 -3.390
22 HG2 LYS 3 2HG LYS 3 5.413 -4.912 -0.929
23 HG3 LYS 3 3HG LYS 3 4.078 -3.818 -0.559
24 HD2 LYS 3 2HD LYS 3 3.840 -5.982 -2.632
25 HD3 LYS 3 3HD LYS 3 3.511 -6.282 -0.924
26 HE2 LYS 3 2HE LYS 3 2.165 -3.897 -1.757
27 HE3 LYS 3 3HE LYS 3 1.775 -5.209 -2.867
28 HZ1 LYS 3 3HZ LYS 3 0.763 -6.417 -1.233
29 HZ2 LYS 3 1HZ LYS 3 0.407 -4.853 -0.693
30 HZ3 LYS 3 2HZ LYS 3 1.669 -5.726 0.018
31 H ASP 4 H ASP 4 5.734 -0.442 -2.806
32 HA ASP 4 HA ASP 4 6.113 -0.442 -5.636
33 HB2 ASP 4 2HB ASP 4 5.076 1.352 -3.652
34 HB3 ASP 4 3HB ASP 4 6.232 2.215 -4.663
35 H LEU 5 H LEU 5 8.194 -0.072 -2.946
36 HA LEU 5 HA LEU 5 10.171 1.612 -3.995
37 HB2 LEU 5 2HB LEU 5 10.052 -0.460 -1.877
38 HB3 LEU 5 3HB LEU 5 11.648 0.030 -2.442
39 HG LEU 5 HG LEU 5 9.630 2.040 -1.488
40 HD11 LEU 5 1HD1 LEU 5 10.483 0.032 0.128
41 HD12 LEU 5 2HD1 LEU 5 10.044 1.648 0.680
42 HD13 LEU 5 3HD1 LEU 5 11.736 1.246 0.390
43 HD21 LEU 5 3HD2 LEU 5 12.062 2.305 -2.727
44 HD22 LEU 5 1HD2 LEU 5 12.478 2.458 -1.020
45 HD23 LEU 5 2HD2 LEU 5 11.275 3.532 -1.734
46 H ARG 6 H ARG 6 9.306 -1.604 -4.801
47 HA ARG 6 HA ARG 6 11.842 -2.417 -5.851
48 HB2 ARG 6 2HB ARG 6 9.043 -3.495 -6.166
49 HB3 ARG 6 3HB ARG 6 10.433 -4.219 -6.962
50 HG2 ARG 6 2HG ARG 6 10.685 -3.789 -4.057
51 HG3 ARG 6 3HG ARG 6 9.513 -5.003 -4.572
52 HD2 ARG 6 2HD ARG 6 12.384 -4.919 -5.486
53 HD3 ARG 6 3HD ARG 6 11.803 -5.896 -4.138
54 HE ARG 6 HE ARG 6 11.479 -6.439 -6.938
55 HH11 ARG 6 1HH1 ARG 6 10.171 -6.975 -3.756
56 HH12 ARG 6 2HH1 ARG 6 9.376 -8.452 -4.190
57 HH21 ARG 6 1HH2 ARG 6 10.436 -8.383 -7.521
58 HH22 ARG 6 2HH2 ARG 6 9.528 -9.253 -6.331
59 H HIS 7 H HIS 7 9.255 -0.479 -6.989
60 HA HIS 7 HA HIS 7 9.703 -0.873 -9.789
61 HB2 HIS 7 2HB HIS 7 7.589 0.041 -8.554
62 HB3 HIS 7 3HB HIS 7 8.417 1.591 -8.659
63 HD1 HIS 7 HD1 HIS 7 8.602 2.680 -10.979
64 HD2 HIS 7 HD2 HIS 7 6.663 -0.994 -10.999
65 HE1 HIS 7 HE1 HIS 7 7.530 2.498 -13.247
66 H ALA 8 H ALA 8 11.284 0.889 -7.349
67 HA ALA 8 HA ALA 8 12.274 3.054 -8.906
68 HB1 ALA 8 1HB ALA 8 14.095 2.502 -6.824
69 HB2 ALA 8 2HB ALA 8 12.843 3.743 -6.877
70 HB3 ALA 8 3HB ALA 8 12.480 2.153 -6.206
71 H PHE 9 H PHE 9 13.059 -0.260 -8.755
72 HA PHE 9 HA PHE 9 15.811 -0.154 -9.389
73 HB2 PHE 9 2HB PHE 9 13.718 -2.190 -9.255
74 HB3 PHE 9 3HB PHE 9 14.893 -2.500 -10.528
75 HD1 PHE 9 HD1 PHE 9 15.186 -1.095 -7.085
76 HD2 PHE 9 HD2 PHE 9 16.378 -4.108 -9.844
77 HE1 PHE 9 HE1 PHE 9 16.749 -2.002 -5.415
78 HE2 PHE 9 HE2 PHE 9 17.942 -5.021 -8.179
79 HZ PHE 9 HZ PHE 9 18.128 -3.968 -5.960
80 H ARG 10 H ARG 10 12.963 0.356 -11.254
81 HA ARG 10 HA ARG 10 14.217 -0.134 -13.807
82 HB2 ARG 10 2HB ARG 10 11.546 0.306 -12.830
83 HB3 ARG 10 3HB ARG 10 11.876 1.398 -14.169
84 HG2 ARG 10 2HG ARG 10 12.827 -0.869 -15.221
85 HG3 ARG 10 3HG ARG 10 11.608 -1.540 -14.135
86 HD2 ARG 10 2HD ARG 10 10.055 -1.052 -15.645
87 HD3 ARG 10 3HD ARG 10 10.408 0.659 -15.406
88 HE ARG 10 HE ARG 10 12.223 -0.605 -17.222
89 HH11 ARG 10 1HH1 ARG 10 9.084 0.871 -16.924
90 HH12 ARG 10 2HH1 ARG 10 8.996 1.328 -18.593
91 HH21 ARG 10 1HH2 ARG 10 12.120 -0.008 -19.422
92 HH22 ARG 10 2HH2 ARG 10 10.723 0.827 -20.013
93 H SER 11 H SER 11 13.567 2.599 -11.725
94 HA SER 11 HA SER 11 14.161 4.596 -13.687
95 HB2 SER 11 2HB SER 11 12.756 4.891 -11.567
96 HB3 SER 11 3HB SER 11 14.287 4.980 -10.697
97 HG SER 11 HG SER 11 13.476 6.670 -12.830
98 H MET 12 H MET 12 16.042 2.516 -11.765
99 HA MET 12 HA MET 12 18.346 4.183 -11.483
100 HB2 MET 12 2HB MET 12 17.898 1.216 -11.197
101 HB3 MET 12 3HB MET 12 19.481 1.953 -10.985
102 HG2 MET 12 2HG MET 12 18.701 3.250 -9.134
103 HG3 MET 12 3HG MET 12 17.040 2.731 -9.412
104 HE1 MET 12 3HE MET 12 17.980 2.037 -6.249
105 HE2 MET 12 1HE MET 12 19.546 1.230 -6.334
106 HE3 MET 12 2HE MET 12 19.316 2.793 -7.118
107 H PHE 13 H PHE 13 17.075 2.169 -13.981
108 HA PHE 13 HA PHE 13 19.548 1.786 -15.378
109 HB2 PHE 13 2HB PHE 13 16.671 1.219 -15.921
110 HB3 PHE 13 3HB PHE 13 17.774 1.274 -17.292
111 HD1 PHE 13 HD2 PHE 13 20.157 0.020 -16.515
112 HD2 PHE 13 HD1 PHE 13 16.189 -0.926 -15.298
113 HE1 PHE 13 HE2 PHE 13 20.855 -2.292 -16.044
114 HE2 PHE 13 HE1 PHE 13 16.882 -3.239 -14.825
115 HZ PHE 13 HZ PHE 13 19.217 -3.925 -15.199
116 HA PRO 14 HA PRO 14 19.701 5.484 -17.751
117 HB2 PRO 14 2HB PRO 14 20.791 4.613 -20.075
118 HB3 PRO 14 3HB PRO 14 21.703 4.697 -18.564
119 HG2 PRO 14 2HG PRO 14 20.520 2.341 -19.932
120 HG3 PRO 14 3HG PRO 14 21.988 2.452 -18.943
121 HD2 PRO 14 2HD PRO 14 19.589 1.430 -18.109
122 HD3 PRO 14 3HD PRO 14 20.907 1.969 -17.049
123 H SER 15 H SER 15 17.893 2.802 -18.999
124 HA SER 15 HA SER 15 16.841 4.088 -21.308
125 HB2 SER 15 2HB SER 15 16.284 1.945 -21.670
126 HB3 SER 15 3HB SER 15 16.550 1.533 -19.976
127 HG SER 15 HG SER 15 14.210 2.078 -21.314
128 H SER 16 H SER 16 15.892 3.930 -17.944
129 HA SER 16 HA SER 16 13.278 5.018 -18.325
130 HB2 SER 16 2HB SER 16 14.830 3.995 -16.138
131 HB3 SER 16 3HB SER 16 14.152 5.558 -15.684
132 HG SER 16 HG SER 16 12.917 3.186 -15.906
133 H GLU 17 H GLU 17 16.453 6.339 -18.023
134 HA GLU 17 HA GLU 17 15.628 8.968 -17.224
135 HB2 GLU 17 2HB GLU 17 18.220 7.840 -18.267
136 HB3 GLU 17 3HB GLU 17 18.011 9.553 -17.932
137 HG2 GLU 17 2HG GLU 17 17.448 7.470 -15.855
138 HG3 GLU 17 3HG GLU 17 19.074 8.096 -16.128
Start of MODEL 19
1 H1 ARG 1 H ARG 1 1.984 -0.483 0.426
2 HA ARG 1 HA ARG 1 2.923 0.960 -1.887
3 HB2 ARG 1 2HB ARG 1 3.216 1.483 1.075
4 HB3 ARG 1 3HB ARG 1 3.798 2.568 -0.180
5 HG2 ARG 1 2HG ARG 1 1.570 2.974 -0.954
6 HG3 ARG 1 3HG ARG 1 0.923 1.738 0.127
7 HD2 ARG 1 2HD ARG 1 0.558 3.412 1.561
8 HD3 ARG 1 3HD ARG 1 2.299 3.385 1.839
9 HE ARG 1 HE ARG 1 1.556 5.018 -0.391
10 HH11 ARG 1 1HH1 ARG 1 1.862 4.927 3.075
11 HH12 ARG 1 2HH1 ARG 1 2.067 6.640 3.233
12 HH21 ARG 1 1HH2 ARG 1 1.825 7.275 -0.197
13 HH22 ARG 1 2HH2 ARG 1 2.045 7.975 1.371
14 H SEP 2 H SEP 2 4.215 -1.308 0.423
15 HA SEP 2 HA SEP 2 7.003 -0.560 -0.146
16 HB2 SEP 2 2HB SEP 2 7.034 -3.100 1.206
17 HB3 SEP 2 3HB SEP 2 7.268 -1.532 1.935
18 H LYS 3 H LYS 3 4.616 -2.213 -1.705
19 HA LYS 3 HA LYS 3 6.332 -4.137 -3.040
20 HB2 LYS 3 2HB LYS 3 3.532 -3.854 -2.604
21 HB3 LYS 3 3HB LYS 3 3.806 -3.875 -4.341
22 HG2 LYS 3 2HG LYS 3 5.104 -5.932 -2.613
23 HG3 LYS 3 3HG LYS 3 3.404 -6.096 -3.061
24 HD2 LYS 3 2HD LYS 3 3.880 -6.504 -5.245
25 HD3 LYS 3 3HD LYS 3 5.304 -5.461 -5.241
26 HE2 LYS 3 2HE LYS 3 6.601 -7.250 -5.032
27 HE3 LYS 3 3HE LYS 3 5.826 -7.626 -3.494
28 HZ1 LYS 3 3HZ LYS 3 5.680 -9.063 -5.869
29 HZ2 LYS 3 1HZ LYS 3 4.140 -8.413 -5.606
30 HZ3 LYS 3 2HZ LYS 3 4.866 -9.375 -4.419
31 H ASP 4 H ASP 4 5.048 -0.960 -3.565
32 HA ASP 4 HA ASP 4 5.563 -0.931 -6.398
33 HB2 ASP 4 2HB ASP 4 4.225 0.754 -4.496
34 HB3 ASP 4 3HB ASP 4 5.373 1.718 -5.421
35 H LEU 5 H LEU 5 7.382 -0.404 -3.548
36 HA LEU 5 HA LEU 5 9.285 1.449 -4.444
37 HB2 LEU 5 2HB LEU 5 8.853 -0.111 -2.158
38 HB3 LEU 5 3HB LEU 5 10.463 -0.542 -2.732
39 HG LEU 5 HG LEU 5 9.646 2.317 -2.290
40 HD11 LEU 5 1HD1 LEU 5 10.781 2.136 -0.094
41 HD12 LEU 5 2HD1 LEU 5 10.821 0.385 -0.298
42 HD13 LEU 5 3HD1 LEU 5 9.274 1.224 -0.185
43 HD21 LEU 5 3HD2 LEU 5 11.773 1.375 -3.583
44 HD22 LEU 5 1HD2 LEU 5 12.401 1.283 -1.937
45 HD23 LEU 5 2HD2 LEU 5 11.840 2.826 -2.582
46 H ARG 6 H ARG 6 8.759 -1.819 -5.307
47 HA ARG 6 HA ARG 6 11.434 -2.429 -6.122
48 HB2 ARG 6 2HB ARG 6 8.909 -3.768 -7.088
49 HB3 ARG 6 3HB ARG 6 10.531 -4.445 -7.026
50 HG2 ARG 6 2HG ARG 6 10.465 -4.434 -4.597
51 HG3 ARG 6 3HG ARG 6 8.859 -3.704 -4.634
52 HD2 ARG 6 2HD ARG 6 7.972 -5.737 -4.722
53 HD3 ARG 6 3HD ARG 6 8.750 -5.982 -6.285
54 HE ARG 6 HE ARG 6 10.224 -7.392 -5.267
55 HH11 ARG 6 1HH1 ARG 6 8.768 -5.363 -2.841
56 HH12 ARG 6 2HH1 ARG 6 9.514 -6.191 -1.514
57 HH21 ARG 6 1HH2 ARG 6 11.212 -8.490 -3.529
58 HH22 ARG 6 2HH2 ARG 6 10.905 -7.969 -1.907
59 H HIS 7 H HIS 7 8.894 -0.601 -7.456
60 HA HIS 7 HA HIS 7 9.496 -0.988 -10.219
61 HB2 HIS 7 2HB HIS 7 7.952 1.146 -8.744
62 HB3 HIS 7 3HB HIS 7 8.130 1.131 -10.496
63 HD1 HIS 7 HD1 HIS 7 5.373 0.862 -9.055
64 HD2 HIS 7 HD2 HIS 7 7.657 -2.311 -10.463
65 HE1 HIS 7 HE1 HIS 7 3.752 -1.027 -9.413
66 H ALA 8 H ALA 8 10.981 0.755 -7.709
67 HA ALA 8 HA ALA 8 12.100 2.869 -9.279
68 HB1 ALA 8 1HB ALA 8 13.552 3.235 -7.301
69 HB2 ALA 8 2HB ALA 8 11.832 3.189 -6.912
70 HB3 ALA 8 3HB ALA 8 12.853 1.793 -6.566
71 H PHE 9 H PHE 9 12.769 -0.430 -9.001
72 HA PHE 9 HA PHE 9 15.583 -0.426 -9.296
73 HB2 PHE 9 2HB PHE 9 14.159 -2.388 -8.592
74 HB3 PHE 9 3HB PHE 9 13.679 -2.556 -10.277
75 HD1 PHE 9 HD2 PHE 9 16.902 -2.025 -8.464
76 HD2 PHE 9 HD1 PHE 9 14.728 -4.283 -11.344
77 HE1 PHE 9 HE2 PHE 9 18.898 -3.398 -8.889
78 HE2 PHE 9 HE1 PHE 9 16.721 -5.661 -11.773
79 HZ PHE 9 HZ PHE 9 18.810 -5.218 -10.546
80 H ARG 10 H ARG 10 12.964 0.040 -11.514
81 HA ARG 10 HA ARG 10 14.653 -0.349 -13.850
82 HB2 ARG 10 2HB ARG 10 11.890 -0.543 -13.349
83 HB3 ARG 10 3HB ARG 10 12.087 0.820 -14.442
84 HG2 ARG 10 2HG ARG 10 11.754 -1.059 -15.810
85 HG3 ARG 10 3HG ARG 10 13.483 -0.712 -15.890
86 HD2 ARG 10 2HD ARG 10 13.597 -2.410 -13.896
87 HD3 ARG 10 3HD ARG 10 12.051 -2.956 -14.543
88 HE ARG 10 HE ARG 10 13.784 -2.841 -16.687
89 HH11 ARG 10 1HH1 ARG 10 13.592 -4.537 -13.653
90 HH12 ARG 10 2HH1 ARG 10 14.441 -5.933 -14.230
91 HH21 ARG 10 1HH2 ARG 10 14.903 -4.673 -17.459
92 HH22 ARG 10 2HH2 ARG 10 15.187 -6.008 -16.395
93 H SER 11 H SER 11 13.385 2.217 -11.886
94 HA SER 11 HA SER 11 13.815 4.318 -13.775
95 HB2 SER 11 2HB SER 11 12.393 4.160 -11.481
96 HB3 SER 11 3HB SER 11 13.841 4.971 -10.884
97 HG SER 11 HG SER 11 13.206 6.719 -11.847
98 H MET 12 H MET 12 15.757 2.703 -11.381
99 HA MET 12 HA MET 12 17.774 4.613 -11.025
100 HB2 MET 12 2HB MET 12 17.782 1.605 -10.855
101 HB3 MET 12 3HB MET 12 19.214 2.563 -10.505
102 HG2 MET 12 2HG MET 12 18.312 3.465 -8.591
103 HG3 MET 12 3HG MET 12 16.653 3.189 -9.117
104 HE1 MET 12 3HE MET 12 18.610 0.971 -5.999
105 HE2 MET 12 1HE MET 12 18.967 2.552 -6.695
106 HE3 MET 12 2HE MET 12 17.381 2.237 -5.992
107 H PHE 13 H PHE 13 17.038 2.567 -13.695
108 HA PHE 13 HA PHE 13 19.662 2.682 -14.877
109 HB2 PHE 13 2HB PHE 13 17.013 1.549 -15.649
110 HB3 PHE 13 3HB PHE 13 18.181 1.863 -16.928
111 HD1 PHE 13 HD2 PHE 13 20.706 1.106 -15.977
112 HD2 PHE 13 HD1 PHE 13 16.940 -0.663 -15.083
113 HE1 PHE 13 HE2 PHE 13 21.830 -1.023 -15.472
114 HE2 PHE 13 HE1 PHE 13 18.058 -2.795 -14.575
115 HZ PHE 13 HZ PHE 13 20.506 -2.977 -14.771
116 HA PRO 14 HA PRO 14 19.225 6.389 -17.201
117 HB2 PRO 14 2HB PRO 14 20.642 5.810 -19.441
118 HB3 PRO 14 3HB PRO 14 21.400 6.057 -17.863
119 HG2 PRO 14 2HG PRO 14 20.857 3.533 -19.327
120 HG3 PRO 14 3HG PRO 14 22.175 3.928 -18.209
121 HD2 PRO 14 2HD PRO 14 19.980 2.408 -17.600
122 HD3 PRO 14 3HD PRO 14 21.075 3.180 -16.435
123 H SER 15 H SER 15 18.015 3.445 -18.511
124 HA SER 15 HA SER 15 16.954 4.478 -20.941
125 HB2 SER 15 2HB SER 15 16.958 1.947 -19.522
126 HB3 SER 15 3HB SER 15 15.372 2.290 -20.213
127 HG SER 15 HG SER 15 17.833 1.907 -21.492
128 H SER 16 H SER 16 16.087 4.929 -17.728
129 HA SER 16 HA SER 16 13.247 5.130 -18.074
130 HB2 SER 16 2HB SER 16 14.573 4.679 -15.890
131 HB3 SER 16 3HB SER 16 14.774 6.430 -15.831
132 HG SER 16 HG SER 16 12.925 6.101 -14.752
133 H GLU 17 H GLU 17 15.929 7.181 -18.649
134 HA GLU 17 HA GLU 17 14.347 9.621 -18.575
135 HB2 GLU 17 2HB GLU 17 17.249 9.004 -19.009
136 HB3 GLU 17 3HB GLU 17 16.603 10.570 -19.476
137 HG2 GLU 17 2HG GLU 17 16.179 11.199 -17.306
138 HG3 GLU 17 3HG GLU 17 16.089 9.535 -16.730
Start of MODEL 20
1 H1 ARG 1 H ARG 1 1.272 -2.003 -0.130
2 HA ARG 1 HA ARG 1 2.437 -0.312 -2.022
3 HB2 ARG 1 2HB ARG 1 0.955 0.327 -0.061
4 HB3 ARG 1 3HB ARG 1 2.391 0.210 0.948
5 HG2 ARG 1 2HG ARG 1 2.802 2.332 0.470
6 HG3 ARG 1 3HG ARG 1 3.143 1.831 -1.188
7 HD2 ARG 1 2HD ARG 1 1.486 3.645 -1.081
8 HD3 ARG 1 3HD ARG 1 0.828 2.178 -1.804
9 HE ARG 1 HE ARG 1 0.305 2.268 0.985
10 HH11 ARG 1 1HH1 ARG 1 -0.713 3.599 -2.066
11 HH12 ARG 1 2HH1 ARG 1 -2.332 3.916 -1.536
12 HH21 ARG 1 1HH2 ARG 1 -1.823 2.680 1.695
13 HH22 ARG 1 2HH2 ARG 1 -2.962 3.394 0.604
14 H SEP 2 H SEP 2 3.866 -2.346 0.431
15 HA SEP 2 HA SEP 2 6.426 -0.917 0.402
16 HB2 SEP 2 2HB SEP 2 5.610 -3.631 1.671
17 HB3 SEP 2 3HB SEP 2 7.217 -2.968 1.820
18 H LYS 3 H LYS 3 4.833 -3.023 -1.620
19 HA LYS 3 HA LYS 3 7.190 -4.273 -2.748
20 HB2 LYS 3 2HB LYS 3 5.672 -5.379 -4.258
21 HB3 LYS 3 3HB LYS 3 5.002 -5.451 -2.634
22 HG2 LYS 3 2HG LYS 3 3.510 -3.583 -3.175
23 HG3 LYS 3 3HG LYS 3 4.168 -3.546 -4.813
24 HD2 LYS 3 2HD LYS 3 3.268 -6.197 -4.001
25 HD3 LYS 3 3HD LYS 3 1.978 -4.993 -3.981
26 HE2 LYS 3 2HE LYS 3 3.810 -5.129 -6.331
27 HE3 LYS 3 3HE LYS 3 2.536 -6.336 -6.166
28 HZ1 LYS 3 3HZ LYS 3 1.218 -4.037 -5.693
29 HZ2 LYS 3 1HZ LYS 3 1.283 -4.818 -7.193
30 HZ3 LYS 3 2HZ LYS 3 2.344 -3.544 -6.855
31 H ASP 4 H ASP 4 5.525 -1.347 -3.108
32 HA ASP 4 HA ASP 4 6.006 -0.895 -5.884
33 HB2 ASP 4 2HB ASP 4 4.740 0.492 -3.711
34 HB3 ASP 4 3HB ASP 4 5.834 1.592 -4.545
35 H LEU 5 H LEU 5 7.949 -0.739 -3.073
36 HA LEU 5 HA LEU 5 9.796 1.246 -3.828
37 HB2 LEU 5 2HB LEU 5 9.867 -1.092 -1.971
38 HB3 LEU 5 3HB LEU 5 11.352 -0.209 -2.319
39 HG LEU 5 HG LEU 5 8.874 1.124 -1.249
40 HD11 LEU 5 1HD1 LEU 5 11.074 0.725 0.618
41 HD12 LEU 5 2HD1 LEU 5 10.298 -0.778 0.121
42 HD13 LEU 5 3HD1 LEU 5 9.338 0.511 0.845
43 HD21 LEU 5 3HD2 LEU 5 11.711 1.919 -1.728
44 HD22 LEU 5 1HD2 LEU 5 10.797 2.681 -0.426
45 HD23 LEU 5 2HD2 LEU 5 10.221 2.792 -2.089
46 H ARG 6 H ARG 6 9.246 -1.899 -5.026
47 HA ARG 6 HA ARG 6 11.899 -2.427 -5.962
48 HB2 ARG 6 2HB ARG 6 9.631 -3.938 -5.646
49 HB3 ARG 6 3HB ARG 6 9.696 -3.739 -7.392
50 HG2 ARG 6 2HG ARG 6 10.944 -5.618 -7.204
51 HG3 ARG 6 3HG ARG 6 12.226 -4.424 -6.996
52 HD2 ARG 6 2HD ARG 6 12.008 -4.617 -4.566
53 HD3 ARG 6 3HD ARG 6 10.726 -5.809 -4.777
54 HE ARG 6 HE ARG 6 12.912 -6.774 -6.159
55 HH11 ARG 6 1HH1 ARG 6 12.142 -5.925 -2.871
56 HH12 ARG 6 2HH1 ARG 6 13.235 -7.078 -2.180
57 HH21 ARG 6 1HH2 ARG 6 14.355 -8.296 -5.260
58 HH22 ARG 6 2HH2 ARG 6 14.494 -8.425 -3.540
59 H HIS 7 H HIS 7 9.374 -0.419 -7.010
60 HA HIS 7 HA HIS 7 9.862 -0.507 -9.816
61 HB2 HIS 7 2HB HIS 7 7.730 0.291 -8.976
62 HB3 HIS 7 3HB HIS 7 8.526 1.592 -8.097
63 HD1 HIS 7 HD1 HIS 7 7.964 3.705 -9.240
64 HD2 HIS 7 HD2 HIS 7 8.761 0.655 -11.946
65 HE1 HIS 7 HE1 HIS 7 7.821 4.770 -11.513
66 H ALA 8 H ALA 8 11.517 0.888 -7.195
67 HA ALA 8 HA ALA 8 12.677 3.107 -8.583
68 HB1 ALA 8 1HB ALA 8 13.665 1.755 -6.076
69 HB2 ALA 8 2HB ALA 8 14.068 3.377 -6.641
70 HB3 ALA 8 3HB ALA 8 12.425 3.009 -6.117
71 H PHE 9 H PHE 9 13.328 -0.262 -8.409
72 HA PHE 9 HA PHE 9 16.102 -0.220 -8.969
73 HB2 PHE 9 2HB PHE 9 13.958 -2.224 -8.885
74 HB3 PHE 9 3HB PHE 9 15.223 -2.582 -10.055
75 HD1 PHE 9 HD2 PHE 9 17.686 -2.162 -9.069
76 HD2 PHE 9 HD1 PHE 9 14.216 -3.088 -6.785
77 HE1 PHE 9 HE2 PHE 9 19.112 -3.030 -7.262
78 HE2 PHE 9 HE1 PHE 9 15.637 -3.957 -4.973
79 HZ PHE 9 HZ PHE 9 18.088 -3.930 -5.211
80 H ARG 10 H ARG 10 13.279 0.186 -10.929
81 HA ARG 10 HA ARG 10 14.670 -0.289 -13.422
82 HB2 ARG 10 2HB ARG 10 12.115 -0.628 -12.810
83 HB3 ARG 10 3HB ARG 10 12.008 1.054 -13.310
84 HG2 ARG 10 2HG ARG 10 12.636 0.570 -15.502
85 HG3 ARG 10 3HG ARG 10 13.304 -1.002 -15.059
86 HD2 ARG 10 2HD ARG 10 10.676 -1.199 -14.271
87 HD3 ARG 10 3HD ARG 10 10.573 -0.251 -15.754
88 HE ARG 10 HE ARG 10 12.251 -2.407 -16.264
89 HH11 ARG 10 1HH1 ARG 10 8.918 -1.840 -15.434
90 HH12 ARG 10 2HH1 ARG 10 8.339 -3.258 -16.243
91 HH21 ARG 10 1HH2 ARG 10 11.501 -4.277 -17.333
92 HH22 ARG 10 2HH2 ARG 10 9.809 -4.644 -17.323
93 H SER 11 H SER 11 13.747 2.414 -11.418
94 HA SER 11 HA SER 11 14.084 4.464 -13.333
95 HB2 SER 11 2HB SER 11 12.998 4.530 -10.956
96 HB3 SER 11 3HB SER 11 14.636 4.897 -10.414
97 HG SER 11 HG SER 11 13.879 6.379 -12.576
98 H MET 12 H MET 12 16.316 2.548 -11.554
99 HA MET 12 HA MET 12 18.522 4.354 -11.628
100 HB2 MET 12 2HB MET 12 18.165 2.275 -10.126
101 HB3 MET 12 3HB MET 12 18.793 1.364 -11.492
102 HG2 MET 12 2HG MET 12 20.875 2.541 -11.399
103 HG3 MET 12 3HG MET 12 20.250 3.638 -10.170
104 HE1 MET 12 3HE MET 12 22.840 0.504 -9.928
105 HE2 MET 12 1HE MET 12 22.783 2.219 -10.341
106 HE3 MET 12 2HE MET 12 23.083 1.723 -8.675
107 H PHE 13 H PHE 13 17.050 2.289 -13.928
108 HA PHE 13 HA PHE 13 19.374 1.928 -15.582
109 HB2 PHE 13 2HB PHE 13 16.478 1.241 -15.777
110 HB3 PHE 13 3HB PHE 13 17.415 1.302 -17.267
111 HD1 PHE 13 HD2 PHE 13 19.919 0.158 -16.742
112 HD2 PHE 13 HD1 PHE 13 16.157 -0.904 -15.058
113 HE1 PHE 13 HE2 PHE 13 20.758 -2.113 -16.307
114 HE2 PHE 13 HE1 PHE 13 16.990 -3.176 -14.619
115 HZ PHE 13 HZ PHE 13 19.294 -3.784 -15.244
116 HA PRO 14 HA PRO 14 19.107 5.567 -18.035
117 HB2 PRO 14 2HB PRO 14 19.959 4.679 -20.449
118 HB3 PRO 14 3HB PRO 14 21.034 4.834 -19.054
119 HG2 PRO 14 2HG PRO 14 19.791 2.403 -20.227
120 HG3 PRO 14 3HG PRO 14 21.361 2.591 -19.425
121 HD2 PRO 14 2HD PRO 14 19.116 1.504 -18.291
122 HD3 PRO 14 3HD PRO 14 20.525 2.119 -17.402
123 H SER 15 H SER 15 17.047 2.966 -18.640
124 HA SER 15 HA SER 15 15.785 3.925 -21.018
125 HB2 SER 15 2HB SER 15 15.598 1.616 -19.332
126 HB3 SER 15 3HB SER 15 13.982 2.283 -19.562
127 HG SER 15 HG SER 15 15.062 0.730 -21.203
128 H SER 16 H SER 16 15.299 4.376 -17.582
129 HA SER 16 HA SER 16 12.774 5.748 -17.955
130 HB2 SER 16 2HB SER 16 13.058 4.375 -15.961
131 HB3 SER 16 3HB SER 16 14.467 5.321 -15.480
132 HG SER 16 HG SER 16 13.199 6.958 -14.903
133 H GLU 17 H GLU 17 16.046 6.540 -18.098
134 HA GLU 17 HA GLU 17 15.730 9.281 -17.201
135 HB2 GLU 17 2HB GLU 17 17.895 7.507 -17.440
136 HB3 GLU 17 3HB GLU 17 18.194 8.777 -18.618
137 HG2 GLU 17 2HG GLU 17 18.934 10.088 -17.005
138 HG3 GLU 17 3HG GLU 17 17.349 10.032 -16.236
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