NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599413 |
2mza   |
25478 | 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 3.085 -0.364 -1.021
3 HB2 ARG 1 2HB ARG 1 0.379 -0.724 -2.297
4 HB3 ARG 1 3HB ARG 1 1.864 -0.727 -3.239
5 HG2 ARG 1 2HG ARG 1 1.406 -2.579 -0.919
6 HG3 ARG 1 3HG ARG 1 0.957 -2.981 -2.578
7 HD2 ARG 1 2HD ARG 1 3.058 -3.494 -3.104
8 HD3 ARG 1 3HD ARG 1 3.661 -1.978 -2.436
9 HE ARG 1 HE ARG 1 3.040 -3.790 -0.356
10 HH11 ARG 1 1HH1 ARG 1 5.392 -3.191 -2.852
11 HH12 ARG 1 2HH1 ARG 1 6.684 -3.975 -2.004
12 HH21 ARG 1 1HH2 ARG 1 4.732 -4.826 0.770
13 HH22 ARG 1 2HH2 ARG 1 6.307 -4.906 0.055
14 H SER 2 H SER 2 3.311 0.740 -3.336
15 HA SER 2 HA SER 2 3.139 3.583 -2.806
16 HB2 SER 2 2HB SER 2 4.643 3.865 -4.635
17 HB3 SER 2 3HB SER 2 5.185 2.426 -3.773
18 HG SER 2 HG SER 2 5.091 2.149 -6.069
19 H LYS 3 H LYS 3 1.654 1.207 -4.888
20 HA LYS 3 HA LYS 3 0.360 3.163 -6.567
21 HB2 LYS 3 2HB LYS 3 -0.144 0.192 -6.318
22 HB3 LYS 3 3HB LYS 3 -0.749 1.239 -7.595
23 HG2 LYS 3 2HG LYS 3 2.178 0.808 -7.060
24 HG3 LYS 3 3HG LYS 3 1.238 -0.163 -8.196
25 HD2 LYS 3 2HD LYS 3 1.166 1.483 -9.737
26 HD3 LYS 3 3HD LYS 3 0.973 2.749 -8.522
27 HE2 LYS 3 2HE LYS 3 3.070 3.251 -9.276
28 HE3 LYS 3 3HE LYS 3 3.481 2.126 -7.982
29 HZ1 LYS 3 3HZ LYS 3 3.024 1.045 -10.666
30 HZ2 LYS 3 1HZ LYS 3 4.069 0.506 -9.449
31 HZ3 LYS 3 2HZ LYS 3 4.476 1.862 -10.374
32 H ASP 4 H ASP 4 -0.351 1.434 -3.649
33 HA ASP 4 HA ASP 4 -3.188 1.823 -3.738
34 HB2 ASP 4 2HB ASP 4 -1.291 0.490 -2.027
35 HB3 ASP 4 3HB ASP 4 -2.395 1.462 -1.058
36 H LEU 5 H LEU 5 -0.456 3.652 -2.616
37 HA LEU 5 HA LEU 5 -1.945 5.435 -0.943
38 HB2 LEU 5 2HB LEU 5 0.399 5.086 -0.527
39 HB3 LEU 5 3HB LEU 5 0.808 5.629 -2.153
40 HG LEU 5 HG LEU 5 -0.119 7.891 -1.483
41 HD11 LEU 5 1HD1 LEU 5 0.385 7.675 1.290
42 HD12 LEU 5 2HD1 LEU 5 -0.779 6.421 0.863
43 HD13 LEU 5 3HD1 LEU 5 -1.120 8.108 0.480
44 HD21 LEU 5 3HD2 LEU 5 1.958 8.585 -0.826
45 HD22 LEU 5 1HD2 LEU 5 2.356 6.988 -1.461
46 HD23 LEU 5 2HD2 LEU 5 2.186 7.228 0.279
47 H ARG 6 H ARG 6 -1.133 5.286 -4.317
48 HA ARG 6 HA ARG 6 -1.411 7.951 -5.064
49 HB2 ARG 6 2HB ARG 6 -1.391 5.374 -6.379
50 HB3 ARG 6 3HB ARG 6 -2.558 6.451 -7.135
51 HG2 ARG 6 2HG ARG 6 -0.492 6.703 -8.278
52 HG3 ARG 6 3HG ARG 6 -0.748 8.160 -7.316
53 HD2 ARG 6 2HD ARG 6 0.663 6.966 -5.525
54 HD3 ARG 6 3HD ARG 6 1.153 5.891 -6.834
55 HE ARG 6 HE ARG 6 1.496 8.590 -7.600
56 HH11 ARG 6 1HH1 ARG 6 2.876 6.128 -5.561
57 HH12 ARG 6 2HH1 ARG 6 4.476 6.790 -5.623
58 HH21 ARG 6 1HH2 ARG 6 3.599 9.471 -7.690
59 HH22 ARG 6 2HH2 ARG 6 4.886 8.691 -6.834
60 H HIS 7 H HIS 7 -3.830 5.551 -4.286
61 HA HIS 7 HA HIS 7 -6.045 7.055 -5.309
62 HB2 HIS 7 2HB HIS 7 -5.814 4.636 -3.528
63 HB3 HIS 7 3HB HIS 7 -7.370 5.388 -3.871
64 HD1 HIS 7 HD1 HIS 7 -6.158 5.958 -6.944
65 HD2 HIS 7 HD2 HIS 7 -6.840 2.369 -4.964
66 HE1 HIS 7 HE1 HIS 7 -6.402 4.228 -8.753
67 H ALA 8 H ALA 8 -4.174 7.143 -2.450
68 HA ALA 8 HA ALA 8 -6.177 8.247 -0.725
69 HB1 ALA 8 1HB ALA 8 -4.664 7.902 0.870
70 HB2 ALA 8 2HB ALA 8 -3.645 7.177 -0.374
71 HB3 ALA 8 3HB ALA 8 -3.457 8.881 0.037
72 H PHE 9 H PHE 9 -4.037 9.496 -3.122
73 HA PHE 9 HA PHE 9 -3.789 12.150 -2.224
74 HB2 PHE 9 2HB PHE 9 -2.607 10.863 -4.188
75 HB3 PHE 9 3HB PHE 9 -3.934 11.511 -5.146
76 HD1 PHE 9 HD1 PHE 9 -1.383 12.642 -2.673
77 HD2 PHE 9 HD2 PHE 9 -3.654 13.554 -6.155
78 HE1 PHE 9 HE1 PHE 9 -0.171 14.771 -2.901
79 HE2 PHE 9 HE2 PHE 9 -2.446 15.684 -6.389
80 HZ PHE 9 HZ PHE 9 -0.701 16.295 -4.762
81 H ARG 10 H ARG 10 -6.377 10.449 -3.783
82 HA ARG 10 HA ARG 10 -7.784 12.770 -4.692
83 HB2 ARG 10 2HB ARG 10 -8.033 9.960 -4.975
84 HB3 ARG 10 3HB ARG 10 -9.542 10.546 -4.288
85 HG2 ARG 10 2HG ARG 10 -8.990 12.356 -6.302
86 HG3 ARG 10 3HG ARG 10 -8.504 10.800 -6.978
87 HD2 ARG 10 2HD ARG 10 -10.778 9.968 -6.067
88 HD3 ARG 10 3HD ARG 10 -11.193 11.680 -5.997
89 HE ARG 10 HE ARG 10 -10.274 11.379 -8.519
90 HH11 ARG 10 1HH1 ARG 10 -12.654 9.679 -6.631
91 HH12 ARG 10 2HH1 ARG 10 -13.625 9.251 -8.000
92 HH21 ARG 10 1HH2 ARG 10 -11.543 10.820 -10.330
93 HH22 ARG 10 2HH2 ARG 10 -12.991 9.899 -10.104
94 H SEP 11 H SEP 11 -7.591 10.960 -1.704
95 HA SEP 11 HA SEP 11 -10.098 11.783 -0.589
96 HB2 SEP 11 2HB SEP 11 -8.686 9.878 0.359
97 HB3 SEP 11 3HB SEP 11 -7.482 11.017 0.908
98 H MET 12 H MET 12 -6.963 13.297 -0.771
99 HA MET 12 HA MET 12 -7.573 15.490 0.939
100 HB2 MET 12 2HB MET 12 -5.272 14.532 -0.035
101 HB3 MET 12 3HB MET 12 -5.549 15.807 -1.214
102 HG2 MET 12 2HG MET 12 -4.861 17.356 0.205
103 HG3 MET 12 3HG MET 12 -5.990 16.802 1.439
104 HE1 MET 12 3HE MET 12 -1.625 16.752 1.699
105 HE2 MET 12 1HE MET 12 -2.653 17.497 0.475
106 HE3 MET 12 2HE MET 12 -2.820 17.961 2.169
107 H PHE 13 H PHE 13 -8.159 14.777 -2.399
108 HA PHE 13 HA PHE 13 -8.559 17.445 -3.295
109 HB2 PHE 13 2HB PHE 13 -8.858 14.749 -4.381
110 HB3 PHE 13 3HB PHE 13 -10.104 15.855 -4.951
111 HD1 PHE 13 HD2 PHE 13 -6.471 16.274 -4.216
112 HD2 PHE 13 HD1 PHE 13 -9.611 16.562 -7.074
113 HE1 PHE 13 HE2 PHE 13 -4.889 17.204 -5.855
114 HE2 PHE 13 HE1 PHE 13 -8.034 17.491 -8.718
115 HZ PHE 13 HZ PHE 13 -5.670 17.815 -8.109
116 HA PRO 14 HA PRO 14 -12.644 18.345 -1.963
117 HB2 PRO 14 2HB PRO 14 -13.678 19.676 -4.086
118 HB3 PRO 14 3HB PRO 14 -12.422 20.361 -3.047
119 HG2 PRO 14 2HG PRO 14 -12.172 19.082 -5.735
120 HG3 PRO 14 3HG PRO 14 -11.329 20.500 -5.083
121 HD2 PRO 14 2HD PRO 14 -10.243 18.014 -5.256
122 HD3 PRO 14 3HD PRO 14 -9.736 19.222 -4.059
123 H SER 15 H SER 15 -12.198 16.415 -4.784
124 HA SER 15 HA SER 15 -14.930 15.876 -5.356
125 HB2 SER 15 2HB SER 15 -13.653 13.699 -6.347
126 HB3 SER 15 3HB SER 15 -13.726 15.251 -7.181
127 HG SER 15 HG SER 15 -11.670 15.556 -6.803
128 H SER 16 H SER 16 -12.648 14.620 -3.072
129 HA SER 16 HA SER 16 -13.974 12.160 -2.535
130 HB2 SER 16 2HB SER 16 -11.717 12.218 -1.876
131 HB3 SER 16 3HB SER 16 -11.898 13.779 -1.074
132 HG SER 16 HG SER 16 -11.812 12.110 0.453
133 H GLU 17 H GLU 17 -14.268 15.425 -1.311
134 HA GLU 17 HA GLU 17 -16.047 14.635 0.835
135 HB2 GLU 17 2HB GLU 17 -14.395 16.841 0.349
136 HB3 GLU 17 3HB GLU 17 -16.033 17.472 0.258
137 HG2 GLU 17 2HG GLU 17 -16.153 15.924 2.498
138 HG3 GLU 17 3HG GLU 17 -14.502 16.537 2.561
Start of MODEL 2
1 H1 ARG 1 H ARG 1 5.214 0.250 -1.781
2 HA ARG 1 HA ARG 1 2.860 -0.425 -2.378
3 HB2 ARG 1 2HB ARG 1 2.393 0.434 0.481
4 HB3 ARG 1 3HB ARG 1 1.184 -0.147 -0.656
5 HG2 ARG 1 2HG ARG 1 3.496 -1.793 0.344
6 HG3 ARG 1 3HG ARG 1 1.874 -1.820 1.038
7 HD2 ARG 1 2HD ARG 1 1.585 -3.530 -0.406
8 HD3 ARG 1 3HD ARG 1 1.277 -2.226 -1.551
9 HE ARG 1 HE ARG 1 3.999 -2.669 -1.611
10 HH11 ARG 1 1HH1 ARG 1 1.106 -4.499 -2.251
11 HH12 ARG 1 2HH1 ARG 1 1.853 -5.509 -3.444
12 HH21 ARG 1 1HH2 ARG 1 4.993 -3.993 -3.180
13 HH22 ARG 1 2HH2 ARG 1 4.064 -5.221 -3.971
14 H SER 2 H SER 2 4.284 1.545 -3.291
15 HA SER 2 HA SER 2 3.434 4.131 -2.358
16 HB2 SER 2 2HB SER 2 5.641 3.352 -3.658
17 HB3 SER 2 3HB SER 2 4.667 3.824 -5.050
18 HG SER 2 HG SER 2 5.880 5.579 -4.250
19 H LYS 3 H LYS 3 2.426 1.848 -4.775
20 HA LYS 3 HA LYS 3 0.875 3.648 -6.345
21 HB2 LYS 3 2HB LYS 3 1.706 1.048 -6.627
22 HB3 LYS 3 3HB LYS 3 -0.010 0.848 -6.298
23 HG2 LYS 3 2HG LYS 3 -0.523 2.383 -8.149
24 HG3 LYS 3 3HG LYS 3 1.203 2.510 -8.497
25 HD2 LYS 3 2HD LYS 3 0.667 0.854 -9.966
26 HD3 LYS 3 3HD LYS 3 0.991 -0.140 -8.543
27 HE2 LYS 3 2HE LYS 3 -1.062 -0.881 -9.524
28 HE3 LYS 3 3HE LYS 3 -1.440 -0.055 -8.014
29 HZ1 LYS 3 3HZ LYS 3 -2.912 1.040 -9.272
30 HZ2 LYS 3 1HZ LYS 3 -2.138 0.652 -10.726
31 HZ3 LYS 3 2HZ LYS 3 -1.583 1.948 -9.792
32 H ASP 4 H ASP 4 0.286 1.787 -3.454
33 HA ASP 4 HA ASP 4 -2.553 1.972 -3.497
34 HB2 ASP 4 2HB ASP 4 -0.525 0.875 -1.765
35 HB3 ASP 4 3HB ASP 4 -1.717 1.758 -0.817
36 H LEU 5 H LEU 5 0.011 4.052 -2.375
37 HA LEU 5 HA LEU 5 -1.662 5.745 -0.786
38 HB2 LEU 5 2HB LEU 5 1.126 5.493 -1.390
39 HB3 LEU 5 3HB LEU 5 0.627 7.169 -1.610
40 HG LEU 5 HG LEU 5 -0.468 6.390 0.842
41 HD11 LEU 5 1HD1 LEU 5 1.141 5.297 2.070
42 HD12 LEU 5 2HD1 LEU 5 2.436 5.715 0.949
43 HD13 LEU 5 3HD1 LEU 5 1.265 4.470 0.517
44 HD21 LEU 5 3HD2 LEU 5 0.756 8.166 1.673
45 HD22 LEU 5 1HD2 LEU 5 0.651 8.558 -0.043
46 HD23 LEU 5 2HD2 LEU 5 2.130 7.853 0.612
47 H ARG 6 H ARG 6 -0.742 5.591 -4.132
48 HA ARG 6 HA ARG 6 -1.208 8.209 -4.948
49 HB2 ARG 6 2HB ARG 6 -0.861 5.651 -6.194
50 HB3 ARG 6 3HB ARG 6 -2.187 6.496 -6.980
51 HG2 ARG 6 2HG ARG 6 -0.430 7.242 -8.224
52 HG3 ARG 6 3HG ARG 6 -0.487 8.496 -6.983
53 HD2 ARG 6 2HD ARG 6 1.115 6.368 -6.005
54 HD3 ARG 6 3HD ARG 6 1.649 6.738 -7.644
55 HE ARG 6 HE ARG 6 2.009 8.350 -5.316
56 HH11 ARG 6 1HH1 ARG 6 1.581 8.455 -8.769
57 HH12 ARG 6 2HH1 ARG 6 2.388 9.977 -8.954
58 HH21 ARG 6 1HH2 ARG 6 3.074 10.354 -5.547
59 HH22 ARG 6 2HH2 ARG 6 3.238 11.056 -7.121
60 H HIS 7 H HIS 7 -3.452 5.640 -4.183
61 HA HIS 7 HA HIS 7 -5.748 6.941 -5.300
62 HB2 HIS 7 2HB HIS 7 -5.153 4.394 -4.206
63 HB3 HIS 7 3HB HIS 7 -6.471 5.070 -3.253
64 HD1 HIS 7 HD1 HIS 7 -8.129 6.459 -5.363
65 HD2 HIS 7 HD2 HIS 7 -6.399 2.726 -5.935
66 HE1 HIS 7 HE1 HIS 7 -9.485 5.361 -7.174
67 H ALA 8 H ALA 8 -3.974 7.237 -2.394
68 HA ALA 8 HA ALA 8 -6.109 8.213 -0.750
69 HB1 ALA 8 1HB ALA 8 -4.619 8.071 0.903
70 HB2 ALA 8 2HB ALA 8 -3.544 7.328 -0.282
71 HB3 ALA 8 3HB ALA 8 -3.441 9.059 0.039
72 H PHE 9 H PHE 9 -4.005 9.579 -3.115
73 HA PHE 9 HA PHE 9 -3.970 12.259 -2.282
74 HB2 PHE 9 2HB PHE 9 -2.638 11.089 -4.172
75 HB3 PHE 9 3HB PHE 9 -4.033 11.462 -5.180
76 HD1 PHE 9 HD1 PHE 9 -2.086 13.319 -2.590
77 HD2 PHE 9 HD2 PHE 9 -3.661 13.259 -6.543
78 HE1 PHE 9 HE1 PHE 9 -1.195 15.580 -2.975
79 HE2 PHE 9 HE2 PHE 9 -2.772 15.519 -6.936
80 HZ PHE 9 HZ PHE 9 -1.537 16.682 -5.151
81 H ARG 10 H ARG 10 -6.429 10.344 -3.793
82 HA ARG 10 HA ARG 10 -7.992 12.526 -4.779
83 HB2 ARG 10 2HB ARG 10 -8.212 9.606 -4.652
84 HB3 ARG 10 3HB ARG 10 -9.753 10.435 -4.477
85 HG2 ARG 10 2HG ARG 10 -9.837 10.912 -6.642
86 HG3 ARG 10 3HG ARG 10 -8.193 11.553 -6.636
87 HD2 ARG 10 2HD ARG 10 -7.456 9.091 -6.598
88 HD3 ARG 10 3HD ARG 10 -9.114 8.733 -7.079
89 HE ARG 10 HE ARG 10 -8.652 9.543 -9.176
90 HH11 ARG 10 1HH1 ARG 10 -6.101 10.457 -6.989
91 HH12 ARG 10 2HH1 ARG 10 -5.061 11.046 -8.243
92 HH21 ARG 10 1HH2 ARG 10 -7.290 10.316 -10.835
93 HH22 ARG 10 2HH2 ARG 10 -5.738 10.967 -10.430
94 H SEP 11 H SEP 11 -7.673 10.857 -1.720
95 HA SEP 11 HA SEP 11 -10.234 11.635 -0.647
96 HB2 SEP 11 2HB SEP 11 -8.718 9.748 0.292
97 HB3 SEP 11 3HB SEP 11 -7.661 10.965 0.962
98 H MET 12 H MET 12 -7.103 13.158 -0.813
99 HA MET 12 HA MET 12 -7.731 15.361 0.877
100 HB2 MET 12 2HB MET 12 -5.413 14.534 0.227
101 HB3 MET 12 3HB MET 12 -5.660 15.342 -1.316
102 HG2 MET 12 2HG MET 12 -4.807 17.157 -0.381
103 HG3 MET 12 3HG MET 12 -6.294 17.274 0.557
104 HE1 MET 12 3HE MET 12 -2.786 15.916 0.275
105 HE2 MET 12 1HE MET 12 -2.256 15.606 1.929
106 HE3 MET 12 2HE MET 12 -3.333 14.467 1.120
107 H PHE 13 H PHE 13 -8.310 14.622 -2.457
108 HA PHE 13 HA PHE 13 -8.718 17.281 -3.374
109 HB2 PHE 13 2HB PHE 13 -9.057 14.566 -4.432
110 HB3 PHE 13 3HB PHE 13 -10.243 15.716 -5.042
111 HD1 PHE 13 HD2 PHE 13 -6.582 15.782 -4.299
112 HD2 PHE 13 HD1 PHE 13 -9.700 16.594 -7.079
113 HE1 PHE 13 HE2 PHE 13 -4.924 16.631 -5.905
114 HE2 PHE 13 HE1 PHE 13 -8.047 17.444 -8.691
115 HZ PHE 13 HZ PHE 13 -5.655 17.464 -8.104
116 HA PRO 14 HA PRO 14 -12.807 18.177 -2.051
117 HB2 PRO 14 2HB PRO 14 -13.843 19.490 -4.185
118 HB3 PRO 14 3HB PRO 14 -12.590 20.186 -3.150
119 HG2 PRO 14 2HG PRO 14 -12.335 18.893 -5.830
120 HG3 PRO 14 3HG PRO 14 -11.492 20.313 -5.183
121 HD2 PRO 14 2HD PRO 14 -10.402 17.829 -5.340
122 HD3 PRO 14 3HD PRO 14 -9.900 19.048 -4.152
123 H SER 15 H SER 15 -12.349 16.221 -4.849
124 HA SER 15 HA SER 15 -15.078 15.672 -5.428
125 HB2 SER 15 2HB SER 15 -12.451 14.472 -6.196
126 HB3 SER 15 3HB SER 15 -13.917 13.532 -6.478
127 HG SER 15 HG SER 15 -13.285 14.907 -8.254
128 H SER 16 H SER 16 -12.807 14.446 -3.117
129 HA SER 16 HA SER 16 -14.167 12.001 -2.555
130 HB2 SER 16 2HB SER 16 -12.028 11.800 -1.785
131 HB3 SER 16 3HB SER 16 -11.895 13.516 -1.397
132 HG SER 16 HG SER 16 -12.015 11.894 0.401
133 H GLU 17 H GLU 17 -14.360 15.281 -1.348
134 HA GLU 17 HA GLU 17 -16.102 14.556 0.847
135 HB2 GLU 17 2HB GLU 17 -14.415 16.696 0.336
136 HB3 GLU 17 3HB GLU 17 -16.022 17.387 0.154
137 HG2 GLU 17 2HG GLU 17 -15.451 17.720 2.397
138 HG3 GLU 17 3HG GLU 17 -16.569 16.357 2.400
Start of MODEL 3
1 H1 ARG 1 H ARG 1 3.263 0.349 1.193
2 HA ARG 1 HA ARG 1 3.917 0.649 -0.988
3 HB2 ARG 1 2HB ARG 1 0.994 -0.046 -1.122
4 HB3 ARG 1 3HB ARG 1 1.951 0.154 -2.583
5 HG2 ARG 1 2HG ARG 1 3.034 -1.645 -0.498
6 HG3 ARG 1 3HG ARG 1 1.617 -2.197 -1.394
7 HD2 ARG 1 2HD ARG 1 3.280 -1.171 -3.351
8 HD3 ARG 1 3HD ARG 1 4.388 -1.973 -2.239
9 HE ARG 1 HE ARG 1 2.337 -3.757 -2.663
10 HH11 ARG 1 1HH1 ARG 1 4.692 -2.103 -4.623
11 HH12 ARG 1 2HH1 ARG 1 4.780 -3.361 -5.811
12 HH21 ARG 1 1HH2 ARG 1 2.444 -5.421 -4.221
13 HH22 ARG 1 2HH2 ARG 1 3.500 -5.247 -5.581
14 H SER 2 H SER 2 4.058 2.071 -2.731
15 HA SER 2 HA SER 2 3.093 4.725 -2.194
16 HB2 SER 2 2HB SER 2 4.591 3.753 -4.635
17 HB3 SER 2 3HB SER 2 4.459 5.414 -4.057
18 HG SER 2 HG SER 2 6.452 4.294 -3.501
19 H LYS 3 H LYS 3 2.233 2.095 -4.301
20 HA LYS 3 HA LYS 3 0.636 3.617 -6.109
21 HB2 LYS 3 2HB LYS 3 0.983 0.702 -5.519
22 HB3 LYS 3 3HB LYS 3 -0.371 1.226 -6.512
23 HG2 LYS 3 2HG LYS 3 1.045 2.078 -8.182
24 HG3 LYS 3 3HG LYS 3 2.459 2.014 -7.127
25 HD2 LYS 3 2HD LYS 3 1.749 -0.578 -7.095
26 HD3 LYS 3 3HD LYS 3 1.155 -0.126 -8.695
27 HE2 LYS 3 2HE LYS 3 3.623 1.039 -8.658
28 HE3 LYS 3 3HE LYS 3 3.900 -0.421 -7.711
29 HZ1 LYS 3 3HZ LYS 3 4.116 -0.430 -10.306
30 HZ2 LYS 3 1HZ LYS 3 2.442 -0.665 -10.239
31 HZ3 LYS 3 2HZ LYS 3 3.481 -1.765 -9.484
32 H ASP 4 H ASP 4 0.066 2.024 -3.051
33 HA ASP 4 HA ASP 4 -2.794 2.182 -3.202
34 HB2 ASP 4 2HB ASP 4 -0.801 1.164 -1.324
35 HB3 ASP 4 3HB ASP 4 -2.166 1.932 -0.519
36 H LEU 5 H LEU 5 -0.221 4.226 -2.046
37 HA LEU 5 HA LEU 5 -1.894 5.958 -0.498
38 HB2 LEU 5 2HB LEU 5 0.909 6.205 -1.556
39 HB3 LEU 5 3HB LEU 5 0.128 7.482 -0.627
40 HG LEU 5 HG LEU 5 0.600 4.685 0.397
41 HD11 LEU 5 1HD1 LEU 5 2.323 7.082 0.331
42 HD12 LEU 5 2HD1 LEU 5 2.752 5.373 0.397
43 HD13 LEU 5 3HD1 LEU 5 2.241 6.211 1.862
44 HD21 LEU 5 3HD2 LEU 5 -0.783 5.294 2.022
45 HD22 LEU 5 1HD2 LEU 5 -0.954 6.907 1.331
46 HD23 LEU 5 2HD2 LEU 5 0.355 6.568 2.463
47 H ARG 6 H ARG 6 -0.922 5.763 -3.826
48 HA ARG 6 HA ARG 6 -1.333 8.381 -4.670
49 HB2 ARG 6 2HB ARG 6 -0.975 5.823 -5.888
50 HB3 ARG 6 3HB ARG 6 -2.311 6.637 -6.691
51 HG2 ARG 6 2HG ARG 6 -0.951 8.055 -7.733
52 HG3 ARG 6 3HG ARG 6 -0.037 8.391 -6.261
53 HD2 ARG 6 2HD ARG 6 1.530 6.815 -6.714
54 HD3 ARG 6 3HD ARG 6 0.374 5.737 -7.494
55 HE ARG 6 HE ARG 6 0.850 8.075 -9.049
56 HH11 ARG 6 1HH1 ARG 6 2.182 4.976 -8.186
57 HH12 ARG 6 2HH1 ARG 6 3.092 4.813 -9.652
58 HH21 ARG 6 1HH2 ARG 6 2.044 7.873 -10.982
59 HH22 ARG 6 2HH2 ARG 6 3.014 6.462 -11.241
60 H HIS 7 H HIS 7 -3.629 5.855 -3.922
61 HA HIS 7 HA HIS 7 -5.886 7.183 -5.087
62 HB2 HIS 7 2HB HIS 7 -5.351 4.660 -3.787
63 HB3 HIS 7 3HB HIS 7 -6.813 5.390 -3.131
64 HD1 HIS 7 HD1 HIS 7 -8.721 4.307 -4.265
65 HD2 HIS 7 HD2 HIS 7 -5.633 5.154 -6.912
66 HE1 HIS 7 HE1 HIS 7 -9.579 3.643 -6.533
67 H ALA 8 H ALA 8 -4.155 7.474 -2.154
68 HA ALA 8 HA ALA 8 -6.300 8.498 -0.553
69 HB1 ALA 8 1HB ALA 8 -4.840 8.165 1.082
70 HB2 ALA 8 2HB ALA 8 -3.637 7.689 -0.117
71 HB3 ALA 8 3HB ALA 8 -3.752 9.372 0.397
72 H PHE 9 H PHE 9 -4.136 9.811 -2.894
73 HA PHE 9 HA PHE 9 -4.096 12.501 -2.072
74 HB2 PHE 9 2HB PHE 9 -3.057 11.011 -4.205
75 HB3 PHE 9 3HB PHE 9 -4.081 12.232 -4.955
76 HD1 PHE 9 HD2 PHE 9 -3.735 14.670 -4.124
77 HD2 PHE 9 HD1 PHE 9 -0.893 11.542 -3.620
78 HE1 PHE 9 HE2 PHE 9 -1.951 16.341 -3.838
79 HE2 PHE 9 HE1 PHE 9 0.895 13.208 -3.332
80 HZ PHE 9 HZ PHE 9 0.367 15.611 -3.442
81 H ARG 10 H ARG 10 -6.504 10.591 -3.671
82 HA ARG 10 HA ARG 10 -8.008 12.769 -4.746
83 HB2 ARG 10 2HB ARG 10 -8.031 10.215 -5.356
84 HB3 ARG 10 3HB ARG 10 -9.243 10.124 -4.085
85 HG2 ARG 10 2HG ARG 10 -10.787 10.774 -5.525
86 HG3 ARG 10 3HG ARG 10 -9.931 12.301 -5.750
87 HD2 ARG 10 2HD ARG 10 -10.048 11.444 -7.905
88 HD3 ARG 10 3HD ARG 10 -8.438 10.963 -7.373
89 HE ARG 10 HE ARG 10 -10.196 8.893 -6.747
90 HH11 ARG 10 1HH1 ARG 10 -8.912 10.485 -9.564
91 HH12 ARG 10 2HH1 ARG 10 -9.029 9.081 -10.571
92 HH21 ARG 10 1HH2 ARG 10 -10.355 7.037 -8.064
93 HH22 ARG 10 2HH2 ARG 10 -9.850 7.121 -9.718
94 H SEP 11 H SEP 11 -7.819 11.162 -1.645
95 HA SEP 11 HA SEP 11 -10.414 11.992 -0.690
96 HB2 SEP 11 2HB SEP 11 -8.828 10.112 0.305
97 HB3 SEP 11 3HB SEP 11 -7.979 11.393 1.132
98 H MET 12 H MET 12 -7.251 13.456 -0.750
99 HA MET 12 HA MET 12 -7.872 15.684 0.894
100 HB2 MET 12 2HB MET 12 -5.643 14.804 -0.779
101 HB3 MET 12 3HB MET 12 -5.865 16.548 -0.795
102 HG2 MET 12 2HG MET 12 -5.871 15.134 1.819
103 HG3 MET 12 3HG MET 12 -4.338 15.377 0.985
104 HE1 MET 12 3HE MET 12 -3.215 16.472 2.414
105 HE2 MET 12 1HE MET 12 -3.093 18.223 2.242
106 HE3 MET 12 2HE MET 12 -3.891 17.530 3.653
107 H PHE 13 H PHE 13 -8.438 14.932 -2.439
108 HA PHE 13 HA PHE 13 -8.809 17.590 -3.375
109 HB2 PHE 13 2HB PHE 13 -9.228 14.865 -4.413
110 HB3 PHE 13 3HB PHE 13 -10.323 16.078 -5.068
111 HD1 PHE 13 HD2 PHE 13 -6.704 16.085 -4.151
112 HD2 PHE 13 HD1 PHE 13 -9.652 16.757 -7.148
113 HE1 PHE 13 HE2 PHE 13 -4.948 16.824 -5.708
114 HE2 PHE 13 HE1 PHE 13 -7.900 17.496 -8.710
115 HZ PHE 13 HZ PHE 13 -5.545 17.531 -7.990
116 HA PRO 14 HA PRO 14 -12.896 18.542 -2.084
117 HB2 PRO 14 2HB PRO 14 -13.903 19.853 -4.232
118 HB3 PRO 14 3HB PRO 14 -12.649 20.541 -3.193
119 HG2 PRO 14 2HG PRO 14 -12.389 19.225 -5.862
120 HG3 PRO 14 3HG PRO 14 -11.540 20.644 -5.223
121 HD2 PRO 14 2HD PRO 14 -10.475 18.146 -5.355
122 HD3 PRO 14 3HD PRO 14 -9.965 19.366 -4.171
123 H SER 15 H SER 15 -12.443 16.563 -4.866
124 HA SER 15 HA SER 15 -15.174 16.044 -5.461
125 HB2 SER 15 2HB SER 15 -13.530 15.599 -7.156
126 HB3 SER 15 3HB SER 15 -12.642 14.513 -6.088
127 HG SER 15 HG SER 15 -14.249 13.661 -7.766
128 H SER 16 H SER 16 -12.934 14.806 -3.126
129 HA SER 16 HA SER 16 -14.278 12.365 -2.563
130 HB2 SER 16 2HB SER 16 -12.639 12.020 -1.012
131 HB3 SER 16 3HB SER 16 -11.854 13.331 -1.892
132 HG SER 16 HG SER 16 -11.908 14.394 -0.093
133 H GLU 17 H GLU 17 -14.597 15.655 -1.411
134 HA GLU 17 HA GLU 17 -16.478 14.875 0.667
135 HB2 GLU 17 2HB GLU 17 -15.575 17.632 -0.182
136 HB3 GLU 17 3HB GLU 17 -16.510 17.245 1.256
137 HG2 GLU 17 2HG GLU 17 -14.663 16.044 2.204
138 HG3 GLU 17 3HG GLU 17 -13.729 16.230 0.721
Start of MODEL 4
1 H1 ARG 1 H ARG 1 1.984 0.135 1.193
2 HA ARG 1 HA ARG 1 3.719 0.667 -0.388
3 HB2 ARG 1 2HB ARG 1 1.087 -0.150 -1.565
4 HB3 ARG 1 3HB ARG 1 2.467 0.128 -2.618
5 HG2 ARG 1 2HG ARG 1 3.629 -1.485 -0.844
6 HG3 ARG 1 3HG ARG 1 1.963 -2.044 -0.679
7 HD2 ARG 1 2HD ARG 1 1.837 -2.693 -2.923
8 HD3 ARG 1 3HD ARG 1 3.240 -1.724 -3.373
9 HE ARG 1 HE ARG 1 4.009 -3.700 -1.519
10 HH11 ARG 1 1HH1 ARG 1 3.004 -3.341 -4.832
11 HH12 ARG 1 2HH1 ARG 1 3.865 -4.740 -5.382
12 HH21 ARG 1 1HH2 ARG 1 5.147 -5.545 -2.230
13 HH22 ARG 1 2HH2 ARG 1 5.083 -5.993 -3.901
14 H SER 2 H SER 2 3.860 1.645 -2.770
15 HA SER 2 HA SER 2 3.340 4.482 -2.419
16 HB2 SER 2 2HB SER 2 5.554 3.431 -3.246
17 HB3 SER 2 3HB SER 2 4.727 3.255 -4.794
18 HG SER 2 HG SER 2 5.856 5.439 -3.735
19 H LYS 3 H LYS 3 2.219 1.806 -4.333
20 HA LYS 3 HA LYS 3 0.823 3.464 -6.243
21 HB2 LYS 3 2HB LYS 3 0.682 0.482 -5.754
22 HB3 LYS 3 3HB LYS 3 -0.047 1.327 -7.114
23 HG2 LYS 3 2HG LYS 3 1.847 1.248 -8.258
24 HG3 LYS 3 3HG LYS 3 2.747 1.969 -6.922
25 HD2 LYS 3 2HD LYS 3 3.399 -0.059 -6.088
26 HD3 LYS 3 3HD LYS 3 1.969 -0.893 -6.700
27 HE2 LYS 3 2HE LYS 3 3.734 0.199 -8.774
28 HE3 LYS 3 3HE LYS 3 4.462 -1.064 -7.784
29 HZ1 LYS 3 3HZ LYS 3 3.416 -2.485 -9.113
30 HZ2 LYS 3 1HZ LYS 3 2.458 -1.277 -9.809
31 HZ3 LYS 3 2HZ LYS 3 1.973 -2.016 -8.367
32 H ASP 4 H ASP 4 0.135 1.843 -3.244
33 HA ASP 4 HA ASP 4 -2.726 2.021 -3.507
34 HB2 ASP 4 2HB ASP 4 -0.858 0.778 -1.711
35 HB3 ASP 4 3HB ASP 4 -2.032 1.709 -0.785
36 H LEU 5 H LEU 5 -0.169 4.013 -2.269
37 HA LEU 5 HA LEU 5 -1.835 5.701 -0.667
38 HB2 LEU 5 2HB LEU 5 0.770 5.281 -0.649
39 HB3 LEU 5 3HB LEU 5 0.766 6.642 -1.769
40 HG LEU 5 HG LEU 5 -0.637 6.915 0.851
41 HD11 LEU 5 1HD1 LEU 5 1.327 6.172 1.778
42 HD12 LEU 5 2HD1 LEU 5 1.669 7.892 1.600
43 HD13 LEU 5 3HD1 LEU 5 2.308 6.741 0.428
44 HD21 LEU 5 3HD2 LEU 5 -0.156 8.571 -1.318
45 HD22 LEU 5 1HD2 LEU 5 1.016 9.092 -0.107
46 HD23 LEU 5 2HD2 LEU 5 -0.703 9.067 0.285
47 H ARG 6 H ARG 6 -0.875 5.599 -4.003
48 HA ARG 6 HA ARG 6 -1.288 8.240 -4.772
49 HB2 ARG 6 2HB ARG 6 -1.527 5.612 -6.190
50 HB3 ARG 6 3HB ARG 6 -2.026 7.089 -7.005
51 HG2 ARG 6 2HG ARG 6 0.376 7.878 -6.156
52 HG3 ARG 6 3HG ARG 6 0.674 6.142 -6.275
53 HD2 ARG 6 2HD ARG 6 0.655 6.183 -8.513
54 HD3 ARG 6 3HD ARG 6 -0.762 7.231 -8.568
55 HE ARG 6 HE ARG 6 1.252 8.889 -7.801
56 HH11 ARG 6 1HH1 ARG 6 0.780 6.703 -10.469
57 HH12 ARG 6 2HH1 ARG 6 1.753 7.625 -11.566
58 HH21 ARG 6 1HH2 ARG 6 2.535 10.112 -9.236
59 HH22 ARG 6 2HH2 ARG 6 2.752 9.564 -10.864
60 H HIS 7 H HIS 7 -3.583 5.695 -4.086
61 HA HIS 7 HA HIS 7 -5.843 7.055 -5.205
62 HB2 HIS 7 2HB HIS 7 -5.336 4.472 -4.351
63 HB3 HIS 7 3HB HIS 7 -6.450 5.088 -3.133
64 HD1 HIS 7 HD1 HIS 7 -6.785 3.028 -5.765
65 HD2 HIS 7 HD2 HIS 7 -8.510 6.734 -5.025
66 HE1 HIS 7 HE1 HIS 7 -8.867 3.093 -7.173
67 H ALA 8 H ALA 8 -4.102 7.264 -2.272
68 HA ALA 8 HA ALA 8 -6.241 8.242 -0.635
69 HB1 ALA 8 1HB ALA 8 -4.217 7.130 0.273
70 HB2 ALA 8 2HB ALA 8 -3.274 8.544 -0.199
71 HB3 ALA 8 3HB ALA 8 -4.549 8.698 1.009
72 H PHE 9 H PHE 9 -4.085 9.620 -2.946
73 HA PHE 9 HA PHE 9 -4.025 12.283 -2.055
74 HB2 PHE 9 2HB PHE 9 -3.596 10.925 -4.680
75 HB3 PHE 9 3HB PHE 9 -3.770 12.676 -4.661
76 HD1 PHE 9 HD1 PHE 9 -1.759 9.859 -3.383
77 HD2 PHE 9 HD2 PHE 9 -2.017 14.072 -3.926
78 HE1 PHE 9 HE1 PHE 9 0.611 10.080 -2.763
79 HE2 PHE 9 HE2 PHE 9 0.353 14.301 -3.308
80 HZ PHE 9 HZ PHE 9 1.671 12.303 -2.726
81 H ARG 10 H ARG 10 -6.471 10.435 -3.674
82 HA ARG 10 HA ARG 10 -7.984 12.654 -4.646
83 HB2 ARG 10 2HB ARG 10 -8.309 9.724 -4.497
84 HB3 ARG 10 3HB ARG 10 -9.805 10.647 -4.482
85 HG2 ARG 10 2HG ARG 10 -7.996 11.610 -6.517
86 HG3 ARG 10 3HG ARG 10 -8.333 9.887 -6.704
87 HD2 ARG 10 2HD ARG 10 -10.815 10.790 -6.207
88 HD3 ARG 10 3HD ARG 10 -10.126 12.220 -6.976
89 HE ARG 10 HE ARG 10 -10.889 9.809 -8.258
90 HH11 ARG 10 1HH1 ARG 10 -8.498 12.338 -8.336
91 HH12 ARG 10 2HH1 ARG 10 -8.169 12.154 -10.027
92 HH21 ARG 10 1HH2 ARG 10 -10.464 9.557 -10.485
93 HH22 ARG 10 2HH2 ARG 10 -9.289 10.573 -11.249
94 H SEP 11 H SEP 11 -7.748 10.940 -1.606
95 HA SEP 11 HA SEP 11 -10.324 11.765 -0.582
96 HB2 SEP 11 2HB SEP 11 -9.224 9.816 0.470
97 HB3 SEP 11 3HB SEP 11 -7.770 10.714 0.825
98 H MET 12 H MET 12 -7.134 13.169 -0.623
99 HA MET 12 HA MET 12 -7.684 15.333 1.126
100 HB2 MET 12 2HB MET 12 -5.399 14.521 0.505
101 HB3 MET 12 3HB MET 12 -5.630 15.231 -1.087
102 HG2 MET 12 2HG MET 12 -6.162 17.379 0.378
103 HG3 MET 12 3HG MET 12 -5.122 16.532 1.521
104 HE1 MET 12 3HE MET 12 -5.282 19.163 -0.673
105 HE2 MET 12 1HE MET 12 -3.816 19.258 -1.650
106 HE3 MET 12 2HE MET 12 -5.161 18.246 -2.175
107 H PHE 13 H PHE 13 -8.327 14.742 -2.224
108 HA PHE 13 HA PHE 13 -8.664 17.446 -3.033
109 HB2 PHE 13 2HB PHE 13 -9.172 14.777 -4.183
110 HB3 PHE 13 3HB PHE 13 -10.232 16.054 -4.770
111 HD1 PHE 13 HD2 PHE 13 -6.604 15.497 -4.089
112 HD2 PHE 13 HD1 PHE 13 -9.560 17.203 -6.633
113 HE1 PHE 13 HE2 PHE 13 -4.840 16.244 -5.632
114 HE2 PHE 13 HE1 PHE 13 -7.800 17.952 -8.181
115 HZ PHE 13 HZ PHE 13 -5.437 17.474 -7.681
116 HA PRO 14 HA PRO 14 -12.708 18.413 -1.621
117 HB2 PRO 14 2HB PRO 14 -13.729 19.838 -3.688
118 HB3 PRO 14 3HB PRO 14 -12.443 20.455 -2.645
119 HG2 PRO 14 2HG PRO 14 -12.260 19.259 -5.375
120 HG3 PRO 14 3HG PRO 14 -11.369 20.629 -4.687
121 HD2 PRO 14 2HD PRO 14 -10.356 18.121 -4.954
122 HD3 PRO 14 3HD PRO 14 -9.801 19.277 -3.726
123 H SER 15 H SER 15 -12.344 16.552 -4.496
124 HA SER 15 HA SER 15 -15.095 16.110 -5.061
125 HB2 SER 15 2HB SER 15 -12.813 14.254 -5.754
126 HB3 SER 15 3HB SER 15 -14.351 14.436 -6.598
127 HG SER 15 HG SER 15 -13.416 15.914 -7.741
128 H SER 16 H SER 16 -12.837 14.729 -2.826
129 HA SER 16 HA SER 16 -14.218 12.291 -2.344
130 HB2 SER 16 2HB SER 16 -12.500 11.835 -0.943
131 HB3 SER 16 3HB SER 16 -11.770 13.287 -1.627
132 HG SER 16 HG SER 16 -13.194 13.006 0.798
133 H GLU 17 H GLU 17 -14.582 15.544 -1.196
134 HA GLU 17 HA GLU 17 -16.282 14.776 1.024
135 HB2 GLU 17 2HB GLU 17 -14.654 16.834 0.829
136 HB3 GLU 17 3HB GLU 17 -16.034 17.592 0.046
137 HG2 GLU 17 2HG GLU 17 -15.893 16.493 2.840
138 HG3 GLU 17 3HG GLU 17 -16.070 18.178 2.352
Start of MODEL 5
1 H1 ARG 1 H ARG 1 2.934 0.419 1.121
2 HA ARG 1 HA ARG 1 4.226 0.403 -0.776
3 HB2 ARG 1 2HB ARG 1 1.609 -0.388 -2.035
4 HB3 ARG 1 3HB ARG 1 3.032 -0.042 -3.008
5 HG2 ARG 1 2HG ARG 1 4.132 -1.781 -1.335
6 HG3 ARG 1 3HG ARG 1 2.460 -2.336 -1.225
7 HD2 ARG 1 2HD ARG 1 2.849 -1.962 -3.934
8 HD3 ARG 1 3HD ARG 1 4.387 -2.625 -3.383
9 HE ARG 1 HE ARG 1 1.929 -4.024 -3.644
10 HH11 ARG 1 1HH1 ARG 1 4.803 -3.813 -1.690
11 HH12 ARG 1 2HH1 ARG 1 4.733 -5.467 -1.177
12 HH21 ARG 1 1HH2 ARG 1 1.826 -6.202 -2.976
13 HH22 ARG 1 2HH2 ARG 1 3.040 -6.825 -1.910
14 H SER 2 H SER 2 4.225 1.643 -3.031
15 HA SER 2 HA SER 2 3.592 4.383 -2.356
16 HB2 SER 2 2HB SER 2 5.396 3.009 -4.194
17 HB3 SER 2 3HB SER 2 4.598 4.392 -4.942
18 HG SER 2 HG SER 2 6.599 4.363 -3.154
19 H LYS 3 H LYS 3 2.441 1.903 -4.531
20 HA LYS 3 HA LYS 3 0.830 3.646 -6.130
21 HB2 LYS 3 2HB LYS 3 1.276 0.727 -5.902
22 HB3 LYS 3 3HB LYS 3 -0.290 1.221 -6.533
23 HG2 LYS 3 2HG LYS 3 1.730 2.751 -7.827
24 HG3 LYS 3 3HG LYS 3 2.177 1.045 -7.894
25 HD2 LYS 3 2HD LYS 3 0.843 1.620 -9.831
26 HD3 LYS 3 3HD LYS 3 -0.064 0.523 -8.787
27 HE2 LYS 3 2HE LYS 3 -0.570 3.242 -8.025
28 HE3 LYS 3 3HE LYS 3 -0.857 3.043 -9.753
29 HZ1 LYS 3 3HZ LYS 3 -1.951 1.043 -7.907
30 HZ2 LYS 3 1HZ LYS 3 -2.548 1.573 -9.399
31 HZ3 LYS 3 2HZ LYS 3 -2.726 2.542 -8.025
32 H ASP 4 H ASP 4 0.397 1.890 -3.159
33 HA ASP 4 HA ASP 4 -2.462 2.035 -3.132
34 HB2 ASP 4 2HB ASP 4 -0.408 0.854 -1.523
35 HB3 ASP 4 3HB ASP 4 -1.473 1.795 -0.483
36 H LEU 5 H LEU 5 0.159 4.049 -1.981
37 HA LEU 5 HA LEU 5 -1.491 5.750 -0.375
38 HB2 LEU 5 2HB LEU 5 1.200 5.318 -0.600
39 HB3 LEU 5 3HB LEU 5 1.011 6.884 -1.387
40 HG LEU 5 HG LEU 5 -0.215 7.606 0.737
41 HD11 LEU 5 1HD1 LEU 5 -0.020 6.371 2.681
42 HD12 LEU 5 2HD1 LEU 5 1.301 5.389 2.050
43 HD13 LEU 5 3HD1 LEU 5 -0.345 5.127 1.475
44 HD21 LEU 5 3HD2 LEU 5 2.263 8.000 -0.035
45 HD22 LEU 5 1HD2 LEU 5 2.630 6.958 1.339
46 HD23 LEU 5 2HD2 LEU 5 1.738 8.459 1.585
47 H ARG 6 H ARG 6 -0.538 5.642 -3.713
48 HA ARG 6 HA ARG 6 -0.933 8.286 -4.481
49 HB2 ARG 6 2HB ARG 6 -0.439 5.853 -5.767
50 HB3 ARG 6 3HB ARG 6 -1.942 6.435 -6.469
51 HG2 ARG 6 2HG ARG 6 -0.630 8.682 -6.693
52 HG3 ARG 6 3HG ARG 6 0.783 7.632 -6.565
53 HD2 ARG 6 2HD ARG 6 0.078 6.357 -8.474
54 HD3 ARG 6 3HD ARG 6 -1.456 7.223 -8.540
55 HE ARG 6 HE ARG 6 0.365 9.197 -8.810
56 HH11 ARG 6 1HH1 ARG 6 -0.104 6.153 -10.432
57 HH12 ARG 6 2HH1 ARG 6 0.553 6.705 -11.937
58 HH21 ARG 6 1HH2 ARG 6 1.233 9.936 -10.786
59 HH22 ARG 6 2HH2 ARG 6 1.314 8.856 -12.137
60 H HIS 7 H HIS 7 -3.245 5.757 -3.792
61 HA HIS 7 HA HIS 7 -5.497 7.134 -4.907
62 HB2 HIS 7 2HB HIS 7 -5.102 4.564 -4.294
63 HB3 HIS 7 3HB HIS 7 -5.880 5.070 -2.797
64 HD1 HIS 7 HD1 HIS 7 -8.093 6.849 -3.714
65 HD2 HIS 7 HD2 HIS 7 -7.041 3.386 -5.755
66 HE1 HIS 7 HE1 HIS 7 -10.132 6.201 -5.035
67 H ALA 8 H ALA 8 -3.749 7.329 -1.976
68 HA ALA 8 HA ALA 8 -5.878 8.323 -0.336
69 HB1 ALA 8 1HB ALA 8 -4.407 8.148 1.337
70 HB2 ALA 8 2HB ALA 8 -3.366 7.347 0.159
71 HB3 ALA 8 3HB ALA 8 -3.177 9.072 0.473
72 H PHE 9 H PHE 9 -3.716 9.686 -2.650
73 HA PHE 9 HA PHE 9 -3.693 12.359 -1.740
74 HB2 PHE 9 2HB PHE 9 -2.721 10.897 -4.006
75 HB3 PHE 9 3HB PHE 9 -3.529 12.356 -4.569
76 HD1 PHE 9 HD2 PHE 9 -2.855 14.563 -3.389
77 HD2 PHE 9 HD1 PHE 9 -0.529 11.000 -3.296
78 HE1 PHE 9 HE2 PHE 9 -0.859 15.885 -2.825
79 HE2 PHE 9 HE1 PHE 9 1.471 12.316 -2.731
80 HZ PHE 9 HZ PHE 9 1.309 14.762 -2.497
81 H ARG 10 H ARG 10 -6.033 10.475 -3.464
82 HA ARG 10 HA ARG 10 -7.513 12.686 -4.520
83 HB2 ARG 10 2HB ARG 10 -8.014 9.740 -4.249
84 HB3 ARG 10 3HB ARG 10 -9.323 10.819 -4.715
85 HG2 ARG 10 2HG ARG 10 -7.140 11.493 -6.344
86 HG3 ARG 10 3HG ARG 10 -7.215 9.730 -6.312
87 HD2 ARG 10 2HD ARG 10 -9.698 9.979 -6.791
88 HD3 ARG 10 3HD ARG 10 -9.355 11.672 -7.143
89 HE ARG 10 HE ARG 10 -7.586 10.145 -8.644
90 HH11 ARG 10 1HH1 ARG 10 -11.021 10.662 -8.407
91 HH12 ARG 10 2HH1 ARG 10 -11.320 10.320 -10.078
92 HH21 ARG 10 1HH2 ARG 10 -7.967 9.692 -10.847
93 HH22 ARG 10 2HH2 ARG 10 -9.582 9.768 -11.466
94 H SEP 11 H SEP 11 -7.431 10.934 -1.493
95 HA SEP 11 HA SEP 11 -10.064 11.589 -0.584
96 HB2 SEP 11 2HB SEP 11 -8.296 9.875 0.446
97 HB3 SEP 11 3HB SEP 11 -7.652 11.239 1.324
98 H MET 12 H MET 12 -7.044 13.333 -0.557
99 HA MET 12 HA MET 12 -7.956 15.507 1.041
100 HB2 MET 12 2HB MET 12 -5.517 14.709 0.296
101 HB3 MET 12 3HB MET 12 -5.784 15.923 -0.947
102 HG2 MET 12 2HG MET 12 -5.691 17.648 0.515
103 HG3 MET 12 3HG MET 12 -6.373 16.708 1.840
104 HE1 MET 12 3HE MET 12 -3.261 16.229 -0.547
105 HE2 MET 12 1HE MET 12 -3.171 17.900 0.008
106 HE3 MET 12 2HE MET 12 -1.957 16.732 0.529
107 H PHE 13 H PHE 13 -8.211 14.684 -2.312
108 HA PHE 13 HA PHE 13 -8.724 17.295 -3.311
109 HB2 PHE 13 2HB PHE 13 -8.738 14.563 -4.342
110 HB3 PHE 13 3HB PHE 13 -10.012 15.558 -5.039
111 HD1 PHE 13 HD2 PHE 13 -6.512 16.332 -4.013
112 HD2 PHE 13 HD1 PHE 13 -9.381 16.191 -7.155
113 HE1 PHE 13 HE2 PHE 13 -4.877 17.343 -5.548
114 HE2 PHE 13 HE1 PHE 13 -7.750 17.201 -8.694
115 HZ PHE 13 HZ PHE 13 -5.495 17.780 -7.891
116 HA PRO 14 HA PRO 14 -12.960 17.920 -2.336
117 HB2 PRO 14 2HB PRO 14 -13.901 19.129 -4.576
118 HB3 PRO 14 3HB PRO 14 -12.801 19.926 -3.445
119 HG2 PRO 14 2HG PRO 14 -12.221 18.659 -6.080
120 HG3 PRO 14 3HG PRO 14 -11.514 20.112 -5.350
121 HD2 PRO 14 2HD PRO 14 -10.278 17.697 -5.416
122 HD3 PRO 14 3HD PRO 14 -9.957 18.965 -4.215
123 H SER 15 H SER 15 -12.144 15.971 -5.056
124 HA SER 15 HA SER 15 -14.773 15.228 -5.843
125 HB2 SER 15 2HB SER 15 -12.643 13.246 -6.300
126 HB3 SER 15 3HB SER 15 -13.735 14.016 -7.451
127 HG SER 15 HG SER 15 -11.963 15.037 -7.989
128 H SER 16 H SER 16 -12.616 14.186 -3.339
129 HA SER 16 HA SER 16 -13.883 11.667 -2.849
130 HB2 SER 16 2HB SER 16 -11.522 12.177 -2.211
131 HB3 SER 16 3HB SER 16 -12.132 13.283 -0.981
132 HG SER 16 HG SER 16 -11.973 11.473 0.147
133 H GLU 17 H GLU 17 -14.312 14.944 -1.719
134 HA GLU 17 HA GLU 17 -16.167 14.134 0.366
135 HB2 GLU 17 2HB GLU 17 -14.515 16.067 0.569
136 HB3 GLU 17 3HB GLU 17 -15.569 16.951 -0.525
137 HG2 GLU 17 2HG GLU 17 -17.365 16.138 1.305
138 HG3 GLU 17 3HG GLU 17 -15.925 16.268 2.313
Start of MODEL 6
1 H1 ARG 1 H ARG 1 4.058 1.810 0.587
2 HA ARG 1 HA ARG 1 4.451 0.603 -1.973
3 HB2 ARG 1 2HB ARG 1 1.623 0.564 -0.918
4 HB3 ARG 1 3HB ARG 1 2.203 -0.071 -2.452
5 HG2 ARG 1 2HG ARG 1 3.624 -1.668 -1.070
6 HG3 ARG 1 3HG ARG 1 2.634 -1.170 0.304
7 HD2 ARG 1 2HD ARG 1 0.698 -2.088 -0.600
8 HD3 ARG 1 3HD ARG 1 1.356 -2.107 -2.235
9 HE ARG 1 HE ARG 1 1.582 -4.162 -0.283
10 HH11 ARG 1 1HH1 ARG 1 3.266 -2.633 -2.918
11 HH12 ARG 1 2HH1 ARG 1 4.204 -4.037 -3.305
12 HH21 ARG 1 1HH2 ARG 1 2.811 -6.018 -0.783
13 HH22 ARG 1 2HH2 ARG 1 3.944 -5.962 -2.091
14 H SER 2 H SER 2 4.563 2.245 -3.343
15 HA SER 2 HA SER 2 3.424 4.815 -2.611
16 HB2 SER 2 2HB SER 2 5.027 5.740 -3.925
17 HB3 SER 2 3HB SER 2 5.775 4.148 -3.808
18 HG SER 2 HG SER 2 5.669 4.485 -5.942
19 H LYS 3 H LYS 3 2.864 2.221 -4.853
20 HA LYS 3 HA LYS 3 1.178 3.669 -6.641
21 HB2 LYS 3 2HB LYS 3 2.399 1.486 -7.115
22 HB3 LYS 3 3HB LYS 3 1.143 0.688 -6.177
23 HG2 LYS 3 2HG LYS 3 -0.448 1.975 -7.828
24 HG3 LYS 3 3HG LYS 3 0.990 1.974 -8.852
25 HD2 LYS 3 2HD LYS 3 0.320 -0.058 -9.507
26 HD3 LYS 3 3HD LYS 3 0.896 -0.614 -7.933
27 HE2 LYS 3 2HE LYS 3 -1.211 -0.787 -7.072
28 HE3 LYS 3 3HE LYS 3 -1.849 0.508 -8.084
29 HZ1 LYS 3 3HZ LYS 3 -2.225 -2.152 -8.484
30 HZ2 LYS 3 1HZ LYS 3 -1.006 -1.777 -9.596
31 HZ3 LYS 3 2HZ LYS 3 -2.475 -0.939 -9.636
32 H ASP 4 H ASP 4 0.705 2.017 -3.620
33 HA ASP 4 HA ASP 4 -2.175 1.941 -3.868
34 HB2 ASP 4 2HB ASP 4 -0.280 0.594 -2.302
35 HB3 ASP 4 3HB ASP 4 -1.202 1.576 -1.167
36 H LEU 5 H LEU 5 0.259 4.008 -2.474
37 HA LEU 5 HA LEU 5 -1.536 5.505 -0.823
38 HB2 LEU 5 2HB LEU 5 1.250 5.330 -1.209
39 HB3 LEU 5 3HB LEU 5 0.797 7.000 -1.542
40 HG LEU 5 HG LEU 5 -0.504 6.313 0.849
41 HD11 LEU 5 1HD1 LEU 5 1.766 5.836 2.113
42 HD12 LEU 5 2HD1 LEU 5 2.173 5.054 0.586
43 HD13 LEU 5 3HD1 LEU 5 0.756 4.529 1.495
44 HD21 LEU 5 3HD2 LEU 5 0.934 8.019 1.797
45 HD22 LEU 5 1HD2 LEU 5 0.388 8.509 0.193
46 HD23 LEU 5 2HD2 LEU 5 2.027 7.897 0.417
47 H ARG 6 H ARG 6 -0.488 5.658 -4.130
48 HA ARG 6 HA ARG 6 -1.025 8.315 -4.752
49 HB2 ARG 6 2HB ARG 6 -1.044 5.767 -6.316
50 HB3 ARG 6 3HB ARG 6 -1.667 7.231 -7.066
51 HG2 ARG 6 2HG ARG 6 0.673 8.147 -6.088
52 HG3 ARG 6 3HG ARG 6 1.092 6.464 -6.415
53 HD2 ARG 6 2HD ARG 6 1.585 7.801 -8.359
54 HD3 ARG 6 3HD ARG 6 0.227 6.734 -8.713
55 HE ARG 6 HE ARG 6 -0.929 9.064 -7.884
56 HH11 ARG 6 1HH1 ARG 6 1.351 8.190 -10.364
57 HH12 ARG 6 2HH1 ARG 6 0.864 9.456 -11.442
58 HH21 ARG 6 1HH2 ARG 6 -1.580 10.735 -9.293
59 HH22 ARG 6 2HH2 ARG 6 -0.803 10.904 -10.831
60 H HIS 7 H HIS 7 -3.194 5.615 -4.285
61 HA HIS 7 HA HIS 7 -5.496 6.920 -5.385
62 HB2 HIS 7 2HB HIS 7 -4.923 4.334 -4.833
63 HB3 HIS 7 3HB HIS 7 -5.891 4.743 -3.420
64 HD1 HIS 7 HD1 HIS 7 -8.264 4.184 -3.747
65 HD2 HIS 7 HD2 HIS 7 -6.451 5.309 -7.313
66 HE1 HIS 7 HE1 HIS 7 -10.061 4.012 -5.499
67 H ALA 8 H ALA 8 -3.843 7.041 -2.396
68 HA ALA 8 HA ALA 8 -6.073 7.804 -0.766
69 HB1 ALA 8 1HB ALA 8 -3.449 8.666 0.172
70 HB2 ALA 8 2HB ALA 8 -4.639 7.611 0.937
71 HB3 ALA 8 3HB ALA 8 -3.516 6.956 -0.255
72 H PHE 9 H PHE 9 -3.937 9.432 -2.928
73 HA PHE 9 HA PHE 9 -4.070 12.038 -1.871
74 HB2 PHE 9 2HB PHE 9 -3.025 10.771 -4.215
75 HB3 PHE 9 3HB PHE 9 -3.926 12.204 -4.701
76 HD1 PHE 9 HD2 PHE 9 -3.280 14.423 -3.823
77 HD2 PHE 9 HD1 PHE 9 -0.949 10.938 -3.088
78 HE1 PHE 9 HE2 PHE 9 -1.368 15.838 -3.195
79 HE2 PHE 9 HE1 PHE 9 0.966 12.348 -2.457
80 HZ PHE 9 HZ PHE 9 0.758 14.802 -2.511
81 H ARG 10 H ARG 10 -6.319 10.146 -3.703
82 HA ARG 10 HA ARG 10 -7.902 12.251 -4.736
83 HB2 ARG 10 2HB ARG 10 -8.005 9.366 -4.627
84 HB3 ARG 10 3HB ARG 10 -9.591 10.052 -4.304
85 HG2 ARG 10 2HG ARG 10 -9.492 9.690 -6.626
86 HG3 ARG 10 3HG ARG 10 -9.287 11.428 -6.396
87 HD2 ARG 10 2HD ARG 10 -6.718 10.244 -6.299
88 HD3 ARG 10 3HD ARG 10 -7.556 9.575 -7.699
89 HE ARG 10 HE ARG 10 -7.954 12.326 -7.731
90 HH11 ARG 10 1HH1 ARG 10 -5.314 10.072 -7.990
91 HH12 ARG 10 2HH1 ARG 10 -4.358 11.107 -8.998
92 HH21 ARG 10 1HH2 ARG 10 -6.706 13.698 -9.058
93 HH22 ARG 10 2HH2 ARG 10 -5.150 13.170 -9.604
94 H SEP 11 H SEP 11 -7.689 10.711 -1.600
95 HA SEP 11 HA SEP 11 -10.302 11.542 -0.676
96 HB2 SEP 11 2HB SEP 11 -9.199 9.663 0.495
97 HB3 SEP 11 3HB SEP 11 -7.767 10.600 0.838
98 H MET 12 H MET 12 -7.132 12.989 -0.719
99 HA MET 12 HA MET 12 -7.741 15.225 0.912
100 HB2 MET 12 2HB MET 12 -5.435 14.356 0.264
101 HB3 MET 12 3HB MET 12 -5.671 15.166 -1.279
102 HG2 MET 12 2HG MET 12 -6.274 17.058 0.703
103 HG3 MET 12 3HG MET 12 -4.800 16.242 1.220
104 HE1 MET 12 3HE MET 12 -5.389 19.058 0.708
105 HE2 MET 12 1HE MET 12 -3.867 19.615 0.011
106 HE3 MET 12 2HE MET 12 -5.347 19.669 -0.946
107 H PHE 13 H PHE 13 -8.330 14.467 -2.415
108 HA PHE 13 HA PHE 13 -8.699 17.124 -3.354
109 HB2 PHE 13 2HB PHE 13 -9.084 14.405 -4.389
110 HB3 PHE 13 3HB PHE 13 -10.245 15.573 -5.012
111 HD1 PHE 13 HD2 PHE 13 -6.605 15.733 -4.199
112 HD2 PHE 13 HD1 PHE 13 -9.660 16.263 -7.115
113 HE1 PHE 13 HE2 PHE 13 -4.925 16.537 -5.808
114 HE2 PHE 13 HE1 PHE 13 -7.985 17.067 -8.729
115 HZ PHE 13 HZ PHE 13 -5.615 17.205 -8.075
116 HA PRO 14 HA PRO 14 -12.775 18.091 -2.040
117 HB2 PRO 14 2HB PRO 14 -13.791 19.401 -4.184
118 HB3 PRO 14 3HB PRO 14 -12.529 20.087 -3.156
119 HG2 PRO 14 2HG PRO 14 -12.293 18.773 -5.825
120 HG3 PRO 14 3HG PRO 14 -11.425 20.181 -5.186
121 HD2 PRO 14 2HD PRO 14 -10.375 17.681 -5.325
122 HD3 PRO 14 3HD PRO 14 -9.855 18.902 -4.147
123 H SER 15 H SER 15 -12.344 16.101 -4.816
124 HA SER 15 HA SER 15 -15.079 15.589 -5.397
125 HB2 SER 15 2HB SER 15 -13.352 13.370 -6.077
126 HB3 SER 15 3HB SER 15 -14.205 14.486 -7.144
127 HG SER 15 HG SER 15 -11.602 14.379 -6.609
128 H SER 16 H SER 16 -12.834 14.354 -3.065
129 HA SER 16 HA SER 16 -14.184 11.921 -2.485
130 HB2 SER 16 2HB SER 16 -12.635 11.636 -0.771
131 HB3 SER 16 3HB SER 16 -11.756 12.688 -1.881
132 HG SER 16 HG SER 16 -12.470 14.463 -0.575
133 H GLU 17 H GLU 17 -14.534 15.220 -1.405
134 HA GLU 17 HA GLU 17 -16.350 14.483 0.740
135 HB2 GLU 17 2HB GLU 17 -14.889 16.894 -0.075
136 HB3 GLU 17 3HB GLU 17 -16.516 17.213 0.511
137 HG2 GLU 17 2HG GLU 17 -14.716 15.439 2.088
138 HG3 GLU 17 3HG GLU 17 -14.494 17.186 2.153
Start of MODEL 7
1 H1 ARG 1 H ARG 1 1.299 0.806 0.476
2 HA ARG 1 HA ARG 1 3.754 -0.043 -0.505
3 HB2 ARG 1 2HB ARG 1 1.636 -0.299 -2.636
4 HB3 ARG 1 3HB ARG 1 3.339 -0.721 -2.749
5 HG2 ARG 1 2HG ARG 1 2.882 -2.465 -0.970
6 HG3 ARG 1 3HG ARG 1 1.168 -2.150 -1.249
7 HD2 ARG 1 2HD ARG 1 1.592 -2.628 -3.684
8 HD3 ARG 1 3HD ARG 1 3.200 -3.179 -3.219
9 HE ARG 1 HE ARG 1 0.723 -4.581 -2.867
10 HH11 ARG 1 1HH1 ARG 1 3.967 -4.184 -1.667
11 HH12 ARG 1 2HH1 ARG 1 4.043 -5.768 -0.971
12 HH21 ARG 1 1HH2 ARG 1 0.811 -6.669 -1.954
13 HH22 ARG 1 2HH2 ARG 1 2.247 -7.182 -1.136
14 H SER 2 H SER 2 4.184 1.227 -2.764
15 HA SER 2 HA SER 2 3.740 3.988 -2.076
16 HB2 SER 2 2HB SER 2 5.333 4.511 -3.748
17 HB3 SER 2 3HB SER 2 5.894 2.994 -3.044
18 HG SER 2 HG SER 2 5.263 1.915 -4.824
19 H LYS 3 H LYS 3 2.485 1.694 -4.377
20 HA LYS 3 HA LYS 3 1.188 3.668 -6.021
21 HB2 LYS 3 2HB LYS 3 1.978 1.276 -6.669
22 HB3 LYS 3 3HB LYS 3 0.450 0.758 -5.971
23 HG2 LYS 3 2HG LYS 3 -0.737 1.492 -7.718
24 HG3 LYS 3 3HG LYS 3 0.209 2.975 -7.865
25 HD2 LYS 3 2HD LYS 3 1.221 0.275 -8.738
26 HD3 LYS 3 3HD LYS 3 0.365 1.383 -9.814
27 HE2 LYS 3 2HE LYS 3 2.121 3.112 -9.129
28 HE3 LYS 3 3HE LYS 3 3.029 1.750 -8.474
29 HZ1 LYS 3 3HZ LYS 3 3.873 1.754 -10.553
30 HZ2 LYS 3 1HZ LYS 3 2.507 2.473 -11.246
31 HZ3 LYS 3 2HZ LYS 3 2.502 0.820 -10.887
32 H ASP 4 H ASP 4 0.405 1.827 -3.191
33 HA ASP 4 HA ASP 4 -2.430 2.090 -3.375
34 HB2 ASP 4 2HB ASP 4 -0.548 0.843 -1.615
35 HB3 ASP 4 3HB ASP 4 -1.658 1.819 -0.657
36 H LEU 5 H LEU 5 0.151 4.067 -2.125
37 HA LEU 5 HA LEU 5 -1.524 5.792 -0.572
38 HB2 LEU 5 2HB LEU 5 1.072 5.332 -0.491
39 HB3 LEU 5 3HB LEU 5 1.116 6.682 -1.623
40 HG LEU 5 HG LEU 5 -0.406 7.746 0.338
41 HD11 LEU 5 1HD1 LEU 5 0.981 7.127 2.442
42 HD12 LEU 5 2HD1 LEU 5 1.296 5.625 1.575
43 HD13 LEU 5 3HD1 LEU 5 -0.362 6.095 1.950
44 HD21 LEU 5 3HD2 LEU 5 1.265 9.162 -0.099
45 HD22 LEU 5 1HD2 LEU 5 2.386 7.857 -0.485
46 HD23 LEU 5 2HD2 LEU 5 2.138 8.338 1.194
47 H ARG 6 H ARG 6 -0.491 5.653 -3.885
48 HA ARG 6 HA ARG 6 -0.846 8.295 -4.680
49 HB2 ARG 6 2HB ARG 6 -1.273 5.703 -6.163
50 HB3 ARG 6 3HB ARG 6 -1.407 7.275 -6.939
51 HG2 ARG 6 2HG ARG 6 1.003 7.541 -5.785
52 HG3 ARG 6 3HG ARG 6 0.978 5.796 -6.049
53 HD2 ARG 6 2HD ARG 6 0.397 6.210 -8.421
54 HD3 ARG 6 3HD ARG 6 0.555 7.941 -8.126
55 HE ARG 6 HE ARG 6 2.889 6.415 -7.417
56 HH11 ARG 6 1HH1 ARG 6 1.220 8.097 -9.968
57 HH12 ARG 6 2HH1 ARG 6 2.656 8.383 -10.895
58 HH21 ARG 6 1HH2 ARG 6 4.785 6.786 -8.628
59 HH22 ARG 6 2HH2 ARG 6 4.683 7.636 -10.133
60 H HIS 7 H HIS 7 -3.195 5.789 -4.030
61 HA HIS 7 HA HIS 7 -5.408 7.177 -5.208
62 HB2 HIS 7 2HB HIS 7 -5.015 4.599 -4.495
63 HB3 HIS 7 3HB HIS 7 -5.932 5.163 -3.101
64 HD1 HIS 7 HD1 HIS 7 -6.247 5.182 -6.893
65 HD2 HIS 7 HD2 HIS 7 -8.611 5.088 -3.478
66 HE1 HIS 7 HE1 HIS 7 -8.609 4.917 -7.717
67 H ALA 8 H ALA 8 -3.730 7.378 -2.238
68 HA ALA 8 HA ALA 8 -5.889 8.400 -0.656
69 HB1 ALA 8 1HB ALA 8 -3.551 7.319 0.013
70 HB2 ALA 8 2HB ALA 8 -3.089 9.020 0.083
71 HB3 ALA 8 3HB ALA 8 -4.421 8.426 1.075
72 H PHE 9 H PHE 9 -3.662 9.729 -2.926
73 HA PHE 9 HA PHE 9 -3.587 12.398 -2.049
74 HB2 PHE 9 2HB PHE 9 -2.140 11.298 -3.835
75 HB3 PHE 9 3HB PHE 9 -3.492 11.533 -4.938
76 HD1 PHE 9 HD2 PHE 9 -4.174 13.784 -5.606
77 HD2 PHE 9 HD1 PHE 9 -0.779 13.129 -3.124
78 HE1 PHE 9 HE2 PHE 9 -3.396 16.070 -6.073
79 HE2 PHE 9 HE1 PHE 9 0.005 15.415 -3.587
80 HZ PHE 9 HZ PHE 9 -1.303 16.889 -5.064
81 H ARG 10 H ARG 10 -6.006 10.573 -3.738
82 HA ARG 10 HA ARG 10 -7.463 12.824 -4.737
83 HB2 ARG 10 2HB ARG 10 -7.492 10.144 -5.268
84 HB3 ARG 10 3HB ARG 10 -8.951 10.324 -4.305
85 HG2 ARG 10 2HG ARG 10 -9.554 12.234 -5.881
86 HG3 ARG 10 3HG ARG 10 -8.270 11.616 -6.922
87 HD2 ARG 10 2HD ARG 10 -9.923 10.359 -7.790
88 HD3 ARG 10 3HD ARG 10 -9.613 9.335 -6.389
89 HE ARG 10 HE ARG 10 -11.447 11.101 -5.473
90 HH11 ARG 10 1HH1 ARG 10 -11.313 9.009 -8.253
91 HH12 ARG 10 2HH1 ARG 10 -13.029 8.784 -8.328
92 HH21 ARG 10 1HH2 ARG 10 -13.707 10.812 -5.563
93 HH22 ARG 10 2HH2 ARG 10 -14.390 9.811 -6.798
94 H SEP 11 H SEP 11 -7.358 11.031 -1.733
95 HA SEP 11 HA SEP 11 -9.955 11.725 -0.759
96 HB2 SEP 11 2HB SEP 11 -8.654 9.924 0.361
97 HB3 SEP 11 3HB SEP 11 -7.344 11.008 0.755
98 H MET 12 H MET 12 -6.914 13.428 -0.802
99 HA MET 12 HA MET 12 -7.754 15.601 0.839
100 HB2 MET 12 2HB MET 12 -5.453 15.143 -1.033
101 HB3 MET 12 3HB MET 12 -5.743 16.740 -0.355
102 HG2 MET 12 2HG MET 12 -5.855 15.223 1.877
103 HG3 MET 12 3HG MET 12 -4.701 14.306 0.910
104 HE1 MET 12 3HE MET 12 -5.563 16.927 3.086
105 HE2 MET 12 1HE MET 12 -4.014 16.630 3.876
106 HE3 MET 12 2HE MET 12 -4.314 18.174 3.077
107 H PHE 13 H PHE 13 -8.104 14.807 -2.513
108 HA PHE 13 HA PHE 13 -8.604 17.432 -3.480
109 HB2 PHE 13 2HB PHE 13 -8.621 14.728 -4.536
110 HB3 PHE 13 3HB PHE 13 -9.973 15.670 -5.157
111 HD1 PHE 13 HD2 PHE 13 -6.500 16.696 -4.297
112 HD2 PHE 13 HD1 PHE 13 -9.444 16.221 -7.334
113 HE1 PHE 13 HE2 PHE 13 -4.997 17.776 -5.917
114 HE2 PHE 13 HE1 PHE 13 -7.945 17.300 -8.960
115 HZ PHE 13 HZ PHE 13 -5.719 18.080 -8.252
116 HA PRO 14 HA PRO 14 -12.804 18.111 -2.395
117 HB2 PRO 14 2HB PRO 14 -13.785 19.353 -4.596
118 HB3 PRO 14 3HB PRO 14 -12.636 20.123 -3.495
119 HG2 PRO 14 2HG PRO 14 -12.153 18.838 -6.147
120 HG3 PRO 14 3HG PRO 14 -11.425 20.301 -5.457
121 HD2 PRO 14 2HD PRO 14 -10.204 17.872 -5.543
122 HD3 PRO 14 3HD PRO 14 -9.834 19.126 -4.342
123 H SER 15 H SER 15 -12.083 16.166 -5.144
124 HA SER 15 HA SER 15 -14.741 15.469 -5.874
125 HB2 SER 15 2HB SER 15 -12.054 14.203 -6.398
126 HB3 SER 15 3HB SER 15 -13.554 13.480 -6.977
127 HG SER 15 HG SER 15 -12.158 15.513 -8.021
128 H SER 16 H SER 16 -12.545 14.380 -3.425
129 HA SER 16 HA SER 16 -13.873 11.888 -2.916
130 HB2 SER 16 2HB SER 16 -11.719 11.721 -2.154
131 HB3 SER 16 3HB SER 16 -11.636 13.421 -1.695
132 HG SER 16 HG SER 16 -12.654 12.977 0.186
133 H GLU 17 H GLU 17 -14.089 15.164 -1.702
134 HA GLU 17 HA GLU 17 -15.862 14.419 0.464
135 HB2 GLU 17 2HB GLU 17 -14.186 16.297 0.612
136 HB3 GLU 17 3HB GLU 17 -15.191 17.194 -0.517
137 HG2 GLU 17 2HG GLU 17 -15.784 17.986 1.600
138 HG3 GLU 17 3HG GLU 17 -17.082 16.886 1.141
Start of MODEL 8
1 H1 ARG 1 H ARG 1 3.631 -0.764 0.865
2 HA ARG 1 HA ARG 1 3.902 -0.306 -1.757
3 HB2 ARG 1 2HB ARG 1 2.072 -1.629 -0.578
4 HB3 ARG 1 3HB ARG 1 1.178 -0.118 -0.479
5 HG2 ARG 1 2HG ARG 1 0.610 -0.160 -2.649
6 HG3 ARG 1 3HG ARG 1 2.176 -0.796 -3.155
7 HD2 ARG 1 2HD ARG 1 0.570 -2.679 -1.594
8 HD3 ARG 1 3HD ARG 1 -0.172 -2.200 -3.120
9 HE ARG 1 HE ARG 1 2.174 -3.829 -2.763
10 HH11 ARG 1 1HH1 ARG 1 0.430 -1.739 -4.934
11 HH12 ARG 1 2HH1 ARG 1 1.140 -2.414 -6.363
12 HH21 ARG 1 1HH2 ARG 1 3.116 -4.725 -4.637
13 HH22 ARG 1 2HH2 ARG 1 2.668 -4.113 -6.193
14 H SER 2 H SER 2 4.444 1.546 -2.721
15 HA SER 2 HA SER 2 3.487 4.096 -1.831
16 HB2 SER 2 2HB SER 2 5.337 3.112 -3.941
17 HB3 SER 2 3HB SER 2 4.605 4.695 -4.196
18 HG SER 2 HG SER 2 5.946 5.456 -2.786
19 H LYS 3 H LYS 3 2.524 1.770 -4.214
20 HA LYS 3 HA LYS 3 0.956 3.513 -5.827
21 HB2 LYS 3 2HB LYS 3 1.720 0.798 -5.875
22 HB3 LYS 3 3HB LYS 3 -0.038 0.811 -5.849
23 HG2 LYS 3 2HG LYS 3 0.325 0.895 -8.093
24 HG3 LYS 3 3HG LYS 3 0.280 2.622 -7.732
25 HD2 LYS 3 2HD LYS 3 2.466 2.903 -8.201
26 HD3 LYS 3 3HD LYS 3 2.925 1.367 -7.462
27 HE2 LYS 3 2HE LYS 3 1.560 1.611 -10.138
28 HE3 LYS 3 3HE LYS 3 3.307 1.499 -9.932
29 HZ1 LYS 3 3HZ LYS 3 1.986 -0.565 -8.501
30 HZ2 LYS 3 1HZ LYS 3 3.161 -0.688 -9.711
31 HZ3 LYS 3 2HZ LYS 3 1.525 -0.590 -10.128
32 H ASP 4 H ASP 4 0.394 1.766 -2.870
33 HA ASP 4 HA ASP 4 -2.455 1.930 -2.931
34 HB2 ASP 4 2HB ASP 4 -0.431 0.850 -1.182
35 HB3 ASP 4 3HB ASP 4 -1.628 1.743 -0.248
36 H LEU 5 H LEU 5 0.122 3.991 -1.777
37 HA LEU 5 HA LEU 5 -1.569 5.721 -0.247
38 HB2 LEU 5 2HB LEU 5 0.775 5.522 0.294
39 HB3 LEU 5 3HB LEU 5 1.226 6.079 -1.317
40 HG LEU 5 HG LEU 5 -0.422 7.950 0.253
41 HD11 LEU 5 1HD1 LEU 5 2.000 8.605 1.250
42 HD12 LEU 5 2HD1 LEU 5 2.099 6.845 1.286
43 HD13 LEU 5 3HD1 LEU 5 0.788 7.671 2.127
44 HD21 LEU 5 3HD2 LEU 5 2.188 8.392 -1.172
45 HD22 LEU 5 1HD2 LEU 5 0.930 9.570 -0.797
46 HD23 LEU 5 2HD2 LEU 5 0.640 8.330 -2.017
47 H ARG 6 H ARG 6 -0.559 5.529 -3.564
48 HA ARG 6 HA ARG 6 -0.962 8.147 -4.411
49 HB2 ARG 6 2HB ARG 6 -1.358 5.519 -5.837
50 HB3 ARG 6 3HB ARG 6 -1.522 7.072 -6.645
51 HG2 ARG 6 2HG ARG 6 0.971 6.617 -5.124
52 HG3 ARG 6 3HG ARG 6 0.751 5.687 -6.607
53 HD2 ARG 6 2HD ARG 6 0.058 8.509 -6.885
54 HD3 ARG 6 3HD ARG 6 1.744 8.241 -6.445
55 HE ARG 6 HE ARG 6 0.925 6.549 -8.586
56 HH11 ARG 6 1HH1 ARG 6 1.933 9.790 -7.810
57 HH12 ARG 6 2HH1 ARG 6 2.561 10.113 -9.392
58 HH21 ARG 6 1HH2 ARG 6 1.749 6.963 -10.673
59 HH22 ARG 6 2HH2 ARG 6 2.455 8.505 -11.020
60 H HIS 7 H HIS 7 -3.265 5.619 -3.691
61 HA HIS 7 HA HIS 7 -5.509 6.946 -4.881
62 HB2 HIS 7 2HB HIS 7 -5.129 4.402 -4.238
63 HB3 HIS 7 3HB HIS 7 -5.862 4.916 -2.721
64 HD1 HIS 7 HD1 HIS 7 -6.635 4.362 -6.333
65 HD2 HIS 7 HD2 HIS 7 -8.589 5.542 -2.862
66 HE1 HIS 7 HE1 HIS 7 -9.087 4.291 -6.885
67 H ALA 8 H ALA 8 -3.812 7.237 -1.929
68 HA ALA 8 HA ALA 8 -5.976 8.258 -0.352
69 HB1 ALA 8 1HB ALA 8 -3.119 8.848 0.277
70 HB2 ALA 8 2HB ALA 8 -4.456 8.470 1.363
71 HB3 ALA 8 3HB ALA 8 -3.714 7.192 0.401
72 H PHE 9 H PHE 9 -3.786 9.574 -2.666
73 HA PHE 9 HA PHE 9 -3.792 12.270 -1.832
74 HB2 PHE 9 2HB PHE 9 -2.613 10.802 -3.888
75 HB3 PHE 9 3HB PHE 9 -3.648 11.958 -4.717
76 HD1 PHE 9 HD2 PHE 9 -3.503 14.336 -3.110
77 HD2 PHE 9 HD1 PHE 9 -0.441 11.532 -4.046
78 HE1 PHE 9 HE2 PHE 9 -1.806 16.087 -2.787
79 HE2 PHE 9 HE1 PHE 9 1.262 13.278 -3.722
80 HZ PHE 9 HZ PHE 9 0.580 15.560 -3.093
81 H ARG 10 H ARG 10 -6.101 10.328 -3.536
82 HA ARG 10 HA ARG 10 -7.578 12.460 -4.711
83 HB2 ARG 10 2HB ARG 10 -7.585 9.732 -4.968
84 HB3 ARG 10 3HB ARG 10 -9.072 10.013 -4.072
85 HG2 ARG 10 2HG ARG 10 -9.882 11.496 -5.788
86 HG3 ARG 10 3HG ARG 10 -8.352 11.374 -6.659
87 HD2 ARG 10 2HD ARG 10 -8.770 9.218 -7.362
88 HD3 ARG 10 3HD ARG 10 -9.886 8.892 -6.037
89 HE ARG 10 HE ARG 10 -11.025 10.874 -7.623
90 HH11 ARG 10 1HH1 ARG 10 -10.102 7.528 -7.883
91 HH12 ARG 10 2HH1 ARG 10 -11.321 7.147 -9.054
92 HH21 ARG 10 1HH2 ARG 10 -12.634 10.385 -9.165
93 HH22 ARG 10 2HH2 ARG 10 -12.760 8.773 -9.783
94 H SEP 11 H SEP 11 -7.507 10.957 -1.551
95 HA SEP 11 HA SEP 11 -10.130 11.800 -0.712
96 HB2 SEP 11 2HB SEP 11 -8.600 9.985 0.424
97 HB3 SEP 11 3HB SEP 11 -7.720 11.291 1.175
98 H MET 12 H MET 12 -6.992 13.315 -0.741
99 HA MET 12 HA MET 12 -7.709 15.606 0.777
100 HB2 MET 12 2HB MET 12 -5.386 14.626 -0.619
101 HB3 MET 12 3HB MET 12 -5.640 16.326 -0.990
102 HG2 MET 12 2HG MET 12 -4.281 16.415 0.864
103 HG3 MET 12 3HG MET 12 -5.889 16.609 1.560
104 HE1 MET 12 3HE MET 12 -2.871 15.517 2.734
105 HE2 MET 12 1HE MET 12 -4.187 16.017 3.796
106 HE3 MET 12 2HE MET 12 -3.459 14.422 3.986
107 H PHE 13 H PHE 13 -8.132 14.688 -2.534
108 HA PHE 13 HA PHE 13 -8.500 17.292 -3.611
109 HB2 PHE 13 2HB PHE 13 -8.780 14.525 -4.537
110 HB3 PHE 13 3HB PHE 13 -9.948 15.628 -5.256
111 HD1 PHE 13 HD2 PHE 13 -6.381 16.082 -4.277
112 HD2 PHE 13 HD1 PHE 13 -9.269 16.090 -7.404
113 HE1 PHE 13 HE2 PHE 13 -4.663 16.862 -5.857
114 HE2 PHE 13 HE1 PHE 13 -7.556 16.869 -8.989
115 HZ PHE 13 HZ PHE 13 -5.250 17.257 -8.216
116 HA PRO 14 HA PRO 14 -12.647 18.244 -2.528
117 HB2 PRO 14 2HB PRO 14 -13.585 19.436 -4.774
118 HB3 PRO 14 3HB PRO 14 -12.382 20.191 -3.722
119 HG2 PRO 14 2HG PRO 14 -12.002 18.757 -6.313
120 HG3 PRO 14 3HG PRO 14 -11.192 20.213 -5.707
121 HD2 PRO 14 2HD PRO 14 -10.093 17.728 -5.680
122 HD3 PRO 14 3HD PRO 14 -9.647 19.011 -4.537
123 H SER 15 H SER 15 -12.057 16.136 -5.185
124 HA SER 15 HA SER 15 -14.754 15.550 -5.866
125 HB2 SER 15 2HB SER 15 -12.169 14.052 -6.318
126 HB3 SER 15 3HB SER 15 -13.725 13.488 -6.927
127 HG SER 15 HG SER 15 -12.850 16.107 -7.468
128 H SER 16 H SER 16 -12.600 14.462 -3.379
129 HA SER 16 HA SER 16 -13.977 12.046 -2.747
130 HB2 SER 16 2HB SER 16 -12.345 11.736 -1.194
131 HB3 SER 16 3HB SER 16 -11.551 13.048 -2.064
132 HG SER 16 HG SER 16 -12.282 14.487 -0.533
133 H GLU 17 H GLU 17 -14.283 15.390 -1.776
134 HA GLU 17 HA GLU 17 -16.114 14.790 0.381
135 HB2 GLU 17 2HB GLU 17 -14.530 17.019 -0.407
136 HB3 GLU 17 3HB GLU 17 -16.207 17.545 -0.360
137 HG2 GLU 17 2HG GLU 17 -16.427 16.877 1.921
138 HG3 GLU 17 3HG GLU 17 -14.841 16.108 1.900
Start of MODEL 9
1 H1 ARG 1 H ARG 1 2.087 1.811 1.405
2 HA ARG 1 HA ARG 1 3.903 0.478 -0.299
3 HB2 ARG 1 2HB ARG 1 1.221 -0.386 -0.552
4 HB3 ARG 1 3HB ARG 1 1.563 0.617 -1.955
5 HG2 ARG 1 2HG ARG 1 3.694 -1.276 -1.347
6 HG3 ARG 1 3HG ARG 1 2.146 -2.044 -1.708
7 HD2 ARG 1 2HD ARG 1 2.007 -0.721 -3.784
8 HD3 ARG 1 3HD ARG 1 3.589 -0.030 -3.427
9 HE ARG 1 HE ARG 1 4.557 -1.958 -4.182
10 HH11 ARG 1 1HH1 ARG 1 1.187 -2.557 -3.545
11 HH12 ARG 1 2HH1 ARG 1 1.207 -4.150 -4.226
12 HH21 ARG 1 1HH2 ARG 1 4.596 -4.054 -5.081
13 HH22 ARG 1 2HH2 ARG 1 3.147 -5.001 -5.098
14 H SER 2 H SER 2 4.143 1.625 -2.413
15 HA SER 2 HA SER 2 3.858 4.476 -1.964
16 HB2 SER 2 2HB SER 2 5.867 3.011 -3.047
17 HB3 SER 2 3HB SER 2 5.028 3.527 -4.510
18 HG SER 2 HG SER 2 5.122 5.704 -3.412
19 H LYS 3 H LYS 3 2.500 1.982 -3.976
20 HA LYS 3 HA LYS 3 1.177 3.868 -5.737
21 HB2 LYS 3 2HB LYS 3 1.491 0.918 -5.606
22 HB3 LYS 3 3HB LYS 3 0.035 1.526 -6.382
23 HG2 LYS 3 2HG LYS 3 1.655 3.018 -7.730
24 HG3 LYS 3 3HG LYS 3 2.890 1.879 -7.191
25 HD2 LYS 3 2HD LYS 3 1.779 0.053 -8.243
26 HD3 LYS 3 3HD LYS 3 0.346 1.032 -8.564
27 HE2 LYS 3 2HE LYS 3 1.438 2.279 -10.225
28 HE3 LYS 3 3HE LYS 3 3.034 1.748 -9.695
29 HZ1 LYS 3 3HZ LYS 3 2.921 -0.018 -11.013
30 HZ2 LYS 3 1HZ LYS 3 1.536 0.656 -11.713
31 HZ3 LYS 3 2HZ LYS 3 1.388 -0.453 -10.445
32 H ASP 4 H ASP 4 0.478 2.024 -2.882
33 HA ASP 4 HA ASP 4 -2.366 2.180 -3.064
34 HB2 ASP 4 2HB ASP 4 -0.428 1.029 -1.283
35 HB3 ASP 4 3HB ASP 4 -1.616 1.935 -0.349
36 H LEU 5 H LEU 5 0.142 4.255 -1.830
37 HA LEU 5 HA LEU 5 -1.588 5.919 -0.271
38 HB2 LEU 5 2HB LEU 5 1.237 5.761 -0.905
39 HB3 LEU 5 3HB LEU 5 0.653 7.424 -0.910
40 HG LEU 5 HG LEU 5 0.253 5.539 1.405
41 HD11 LEU 5 1HD1 LEU 5 2.195 7.651 1.799
42 HD12 LEU 5 2HD1 LEU 5 2.691 6.520 0.540
43 HD13 LEU 5 3HD1 LEU 5 2.309 5.927 2.157
44 HD21 LEU 5 3HD2 LEU 5 -0.560 7.336 2.569
45 HD22 LEU 5 1HD2 LEU 5 -1.137 7.722 0.947
46 HD23 LEU 5 2HD2 LEU 5 0.308 8.512 1.580
47 H ARG 6 H ARG 6 -0.570 5.811 -3.590
48 HA ARG 6 HA ARG 6 -1.030 8.435 -4.389
49 HB2 ARG 6 2HB ARG 6 -0.021 6.609 -5.781
50 HB3 ARG 6 3HB ARG 6 -1.639 5.963 -6.015
51 HG2 ARG 6 2HG ARG 6 -2.229 8.273 -6.940
52 HG3 ARG 6 3HG ARG 6 -0.486 8.536 -7.025
53 HD2 ARG 6 2HD ARG 6 -1.246 7.739 -9.157
54 HD3 ARG 6 3HD ARG 6 -0.296 6.469 -8.386
55 HE ARG 6 HE ARG 6 -3.090 6.204 -7.860
56 HH11 ARG 6 1HH1 ARG 6 -0.599 5.592 -10.214
57 HH12 ARG 6 2HH1 ARG 6 -1.440 4.269 -10.952
58 HH21 ARG 6 1HH2 ARG 6 -4.206 4.463 -8.823
59 HH22 ARG 6 2HH2 ARG 6 -3.492 3.628 -10.160
60 H HIS 7 H HIS 7 -3.278 5.843 -3.719
61 HA HIS 7 HA HIS 7 -5.549 7.142 -4.888
62 HB2 HIS 7 2HB HIS 7 -4.967 4.595 -3.715
63 HB3 HIS 7 3HB HIS 7 -6.393 5.268 -2.930
64 HD1 HIS 7 HD1 HIS 7 -8.480 5.705 -4.452
65 HD2 HIS 7 HD2 HIS 7 -5.331 3.750 -6.328
66 HE1 HIS 7 HE1 HIS 7 -9.442 4.767 -6.578
67 H ALA 8 H ALA 8 -3.863 7.415 -1.928
68 HA ALA 8 HA ALA 8 -6.051 8.358 -0.335
69 HB1 ALA 8 1HB ALA 8 -4.351 8.936 1.307
70 HB2 ALA 8 2HB ALA 8 -4.080 7.311 0.675
71 HB3 ALA 8 3HB ALA 8 -3.083 8.653 0.114
72 H PHE 9 H PHE 9 -3.888 9.765 -2.622
73 HA PHE 9 HA PHE 9 -3.926 12.440 -1.746
74 HB2 PHE 9 2HB PHE 9 -2.760 11.041 -3.841
75 HB3 PHE 9 3HB PHE 9 -3.859 12.155 -4.646
76 HD1 PHE 9 HD1 PHE 9 -0.904 11.869 -2.499
77 HD2 PHE 9 HD2 PHE 9 -3.485 14.524 -4.599
78 HE1 PHE 9 HE1 PHE 9 0.736 13.681 -2.217
79 HE2 PHE 9 HE2 PHE 9 -1.848 16.340 -4.321
80 HZ PHE 9 HZ PHE 9 0.266 15.920 -3.130
81 H ARG 10 H ARG 10 -6.256 10.503 -3.427
82 HA ARG 10 HA ARG 10 -7.795 12.670 -4.479
83 HB2 ARG 10 2HB ARG 10 -7.880 9.782 -4.526
84 HB3 ARG 10 3HB ARG 10 -9.477 10.441 -4.198
85 HG2 ARG 10 2HG ARG 10 -9.405 11.755 -6.211
86 HG3 ARG 10 3HG ARG 10 -7.738 11.260 -6.514
87 HD2 ARG 10 2HD ARG 10 -9.568 9.017 -6.145
88 HD3 ARG 10 3HD ARG 10 -9.986 10.042 -7.518
89 HE ARG 10 HE ARG 10 -7.688 8.323 -7.267
90 HH11 ARG 10 1HH1 ARG 10 -9.063 11.080 -8.887
91 HH12 ARG 10 2HH1 ARG 10 -8.042 10.935 -10.280
92 HH21 ARG 10 1HH2 ARG 10 -6.338 8.121 -9.094
93 HH22 ARG 10 2HH2 ARG 10 -6.493 9.251 -10.397
94 H SEP 11 H SEP 11 -7.624 10.980 -1.422
95 HA SEP 11 HA SEP 11 -10.258 11.674 -0.491
96 HB2 SEP 11 2HB SEP 11 -9.383 9.966 0.884
97 HB3 SEP 11 3HB SEP 11 -7.737 10.532 0.757
98 H MET 12 H MET 12 -7.169 13.301 -0.447
99 HA MET 12 HA MET 12 -7.991 15.486 1.182
100 HB2 MET 12 2HB MET 12 -5.636 14.817 -0.489
101 HB3 MET 12 3HB MET 12 -5.926 16.526 -0.197
102 HG2 MET 12 2HG MET 12 -5.087 16.379 1.841
103 HG3 MET 12 3HG MET 12 -6.187 15.065 2.250
104 HE1 MET 12 3HE MET 12 -2.905 15.595 -0.040
105 HE2 MET 12 1HE MET 12 -2.701 16.203 1.603
106 HE3 MET 12 2HE MET 12 -1.794 14.788 1.068
107 H PHE 13 H PHE 13 -8.297 14.723 -2.182
108 HA PHE 13 HA PHE 13 -8.732 17.375 -3.124
109 HB2 PHE 13 2HB PHE 13 -8.875 14.652 -4.219
110 HB3 PHE 13 3HB PHE 13 -10.029 15.774 -4.932
111 HD1 PHE 13 HD2 PHE 13 -6.512 16.175 -3.759
112 HD2 PHE 13 HD1 PHE 13 -9.269 16.445 -6.989
113 HE1 PHE 13 HE2 PHE 13 -4.734 17.084 -5.195
114 HE2 PHE 13 HE1 PHE 13 -7.495 17.355 -8.432
115 HZ PHE 13 HZ PHE 13 -5.224 17.676 -7.535
116 HA PRO 14 HA PRO 14 -12.957 18.066 -2.150
117 HB2 PRO 14 2HB PRO 14 -13.861 19.359 -4.358
118 HB3 PRO 14 3HB PRO 14 -12.745 20.098 -3.203
119 HG2 PRO 14 2HG PRO 14 -12.187 18.888 -5.870
120 HG3 PRO 14 3HG PRO 14 -11.450 20.306 -5.101
121 HD2 PRO 14 2HD PRO 14 -10.267 17.862 -5.224
122 HD3 PRO 14 3HD PRO 14 -9.923 19.093 -3.992
123 H SER 15 H SER 15 -12.172 16.175 -4.921
124 HA SER 15 HA SER 15 -14.813 15.514 -5.739
125 HB2 SER 15 2HB SER 15 -12.179 14.089 -6.178
126 HB3 SER 15 3HB SER 15 -13.695 13.638 -6.959
127 HG SER 15 HG SER 15 -12.056 15.855 -7.383
128 H SER 16 H SER 16 -12.693 14.355 -3.256
129 HA SER 16 HA SER 16 -13.947 11.834 -2.842
130 HB2 SER 16 2HB SER 16 -11.724 12.089 -2.016
131 HB3 SER 16 3HB SER 16 -12.155 13.539 -1.109
132 HG SER 16 HG SER 16 -12.182 11.045 -0.263
133 H GLU 17 H GLU 17 -14.501 15.077 -1.648
134 HA GLU 17 HA GLU 17 -16.482 14.161 0.276
135 HB2 GLU 17 2HB GLU 17 -16.655 16.498 0.933
136 HB3 GLU 17 3HB GLU 17 -14.968 16.003 0.884
137 HG2 GLU 17 2HG GLU 17 -14.632 17.132 -1.199
138 HG3 GLU 17 3HG GLU 17 -16.352 17.492 -1.332
Start of MODEL 10
1 H1 ARG 1 H ARG 1 5.519 0.063 -2.519
2 HA ARG 1 HA ARG 1 3.358 -0.264 -3.555
3 HB2 ARG 1 2HB ARG 1 2.605 -0.234 -0.686
4 HB3 ARG 1 3HB ARG 1 1.439 0.448 -1.811
5 HG2 ARG 1 2HG ARG 1 1.282 -1.607 -3.010
6 HG3 ARG 1 3HG ARG 1 2.629 -2.298 -2.103
7 HD2 ARG 1 2HD ARG 1 0.420 -1.313 -0.446
8 HD3 ARG 1 3HD ARG 1 -0.006 -2.654 -1.508
9 HE ARG 1 HE ARG 1 2.342 -3.404 -0.305
10 HH11 ARG 1 1HH1 ARG 1 -0.833 -2.466 0.771
11 HH12 ARG 1 2HH1 ARG 1 -0.775 -3.434 2.207
12 HH21 ARG 1 1HH2 ARG 1 2.430 -4.683 1.581
13 HH22 ARG 1 2HH2 ARG 1 1.082 -4.694 2.667
14 H SER 2 H SER 2 4.487 1.626 -4.441
15 HA SER 2 HA SER 2 3.870 4.213 -3.306
16 HB2 SER 2 2HB SER 2 4.907 4.559 -5.901
17 HB3 SER 2 3HB SER 2 5.776 4.712 -4.374
18 HG SER 2 HG SER 2 6.874 3.173 -5.441
19 H LYS 3 H LYS 3 2.696 2.142 -5.851
20 HA LYS 3 HA LYS 3 1.157 4.136 -7.198
21 HB2 LYS 3 2HB LYS 3 0.102 2.219 -8.346
22 HB3 LYS 3 3HB LYS 3 1.859 2.136 -8.378
23 HG2 LYS 3 2HG LYS 3 1.894 0.442 -6.717
24 HG3 LYS 3 3HG LYS 3 0.176 0.656 -6.373
25 HD2 LYS 3 2HD LYS 3 -0.480 -0.428 -8.297
26 HD3 LYS 3 3HD LYS 3 1.028 -0.069 -9.140
27 HE2 LYS 3 2HE LYS 3 2.143 -1.626 -7.459
28 HE3 LYS 3 3HE LYS 3 0.514 -2.143 -7.025
29 HZ1 LYS 3 3HZ LYS 3 1.762 -3.476 -8.784
30 HZ2 LYS 3 1HZ LYS 3 1.436 -2.187 -9.831
31 HZ3 LYS 3 2HZ LYS 3 0.161 -3.045 -9.123
32 H ASP 4 H ASP 4 0.629 2.025 -4.486
33 HA ASP 4 HA ASP 4 -2.211 2.203 -4.445
34 HB2 ASP 4 2HB ASP 4 -0.187 0.875 -2.949
35 HB3 ASP 4 3HB ASP 4 -1.186 1.779 -1.813
36 H LEU 5 H LEU 5 0.383 4.167 -3.179
37 HA LEU 5 HA LEU 5 -1.264 5.717 -1.425
38 HB2 LEU 5 2HB LEU 5 1.528 5.563 -2.156
39 HB3 LEU 5 3HB LEU 5 0.983 7.236 -2.063
40 HG LEU 5 HG LEU 5 -0.010 6.169 0.258
41 HD11 LEU 5 1HD1 LEU 5 1.677 4.213 -0.568
42 HD12 LEU 5 2HD1 LEU 5 1.278 4.547 1.117
43 HD13 LEU 5 3HD1 LEU 5 2.755 5.205 0.413
44 HD21 LEU 5 3HD2 LEU 5 2.019 7.306 1.288
45 HD22 LEU 5 1HD2 LEU 5 1.005 8.290 0.233
46 HD23 LEU 5 2HD2 LEU 5 2.533 7.645 -0.365
47 H ARG 6 H ARG 6 -0.381 5.863 -4.780
48 HA ARG 6 HA ARG 6 -0.839 8.546 -5.351
49 HB2 ARG 6 2HB ARG 6 -0.000 6.592 -6.862
50 HB3 ARG 6 3HB ARG 6 -1.704 6.390 -7.247
51 HG2 ARG 6 2HG ARG 6 -1.260 7.839 -8.893
52 HG3 ARG 6 3HG ARG 6 -1.415 9.053 -7.622
53 HD2 ARG 6 2HD ARG 6 1.227 7.747 -8.075
54 HD3 ARG 6 3HD ARG 6 0.689 9.004 -9.189
55 HE ARG 6 HE ARG 6 0.490 9.755 -6.424
56 HH11 ARG 6 1HH1 ARG 6 2.585 9.592 -9.200
57 HH12 ARG 6 2HH1 ARG 6 3.630 10.859 -8.649
58 HH21 ARG 6 1HH2 ARG 6 1.859 11.425 -5.687
59 HH22 ARG 6 2HH2 ARG 6 3.216 11.900 -6.650
60 H HIS 7 H HIS 7 -3.090 5.931 -4.796
61 HA HIS 7 HA HIS 7 -5.390 7.339 -5.765
62 HB2 HIS 7 2HB HIS 7 -4.802 4.701 -4.936
63 HB3 HIS 7 3HB HIS 7 -6.083 5.286 -3.879
64 HD1 HIS 7 HD1 HIS 7 -8.084 6.577 -5.435
65 HD2 HIS 7 HD2 HIS 7 -5.824 3.533 -7.134
66 HE1 HIS 7 HE1 HIS 7 -9.432 5.751 -7.391
67 H ALA 8 H ALA 8 -3.583 7.361 -2.864
68 HA ALA 8 HA ALA 8 -5.694 8.196 -1.115
69 HB1 ALA 8 1HB ALA 8 -4.116 8.249 0.555
70 HB2 ALA 8 2HB ALA 8 -3.388 7.093 -0.562
71 HB3 ALA 8 3HB ALA 8 -2.825 8.764 -0.532
72 H PHE 9 H PHE 9 -3.607 9.759 -3.370
73 HA PHE 9 HA PHE 9 -3.578 12.357 -2.285
74 HB2 PHE 9 2HB PHE 9 -2.614 11.087 -4.614
75 HB3 PHE 9 3HB PHE 9 -3.607 12.434 -5.161
76 HD1 PHE 9 HD2 PHE 9 -3.095 14.741 -4.298
77 HD2 PHE 9 HD1 PHE 9 -0.472 11.436 -3.738
78 HE1 PHE 9 HE2 PHE 9 -1.244 16.293 -3.836
79 HE2 PHE 9 HE1 PHE 9 1.384 12.983 -3.274
80 HZ PHE 9 HZ PHE 9 1.000 15.416 -3.324
81 H ARG 10 H ARG 10 -5.987 10.585 -4.042
82 HA ARG 10 HA ARG 10 -7.542 12.852 -4.832
83 HB2 ARG 10 2HB ARG 10 -7.516 10.177 -5.498
84 HB3 ARG 10 3HB ARG 10 -8.990 10.325 -4.551
85 HG2 ARG 10 2HG ARG 10 -9.860 11.983 -6.026
86 HG3 ARG 10 3HG ARG 10 -8.323 12.101 -6.884
87 HD2 ARG 10 2HD ARG 10 -9.983 10.784 -8.128
88 HD3 ARG 10 3HD ARG 10 -8.567 9.829 -7.691
89 HE ARG 10 HE ARG 10 -9.907 8.499 -6.399
90 HH11 ARG 10 1HH1 ARG 10 -11.608 11.442 -7.152
91 HH12 ARG 10 2HH1 ARG 10 -13.112 10.897 -6.488
92 HH21 ARG 10 1HH2 ARG 10 -11.882 7.769 -5.521
93 HH22 ARG 10 2HH2 ARG 10 -13.266 8.808 -5.560
94 H SEP 11 H SEP 11 -7.292 10.857 -1.968
95 HA SEP 11 HA SEP 11 -9.881 11.421 -0.878
96 HB2 SEP 11 2HB SEP 11 -8.668 9.566 0.136
97 HB3 SEP 11 3HB SEP 11 -7.219 10.505 0.389
98 H MET 12 H MET 12 -6.860 13.160 -0.860
99 HA MET 12 HA MET 12 -7.663 15.177 0.980
100 HB2 MET 12 2HB MET 12 -5.318 14.504 -0.490
101 HB3 MET 12 3HB MET 12 -5.699 16.188 -0.822
102 HG2 MET 12 2HG MET 12 -5.855 16.530 1.662
103 HG3 MET 12 3HG MET 12 -5.193 14.907 1.846
104 HE1 MET 12 3HE MET 12 -2.831 18.586 1.756
105 HE2 MET 12 1HE MET 12 -4.578 18.536 1.520
106 HE3 MET 12 2HE MET 12 -3.861 17.807 2.957
107 H PHE 13 H PHE 13 -8.137 14.665 -2.412
108 HA PHE 13 HA PHE 13 -8.719 17.356 -3.123
109 HB2 PHE 13 2HB PHE 13 -8.801 14.730 -4.409
110 HB3 PHE 13 3HB PHE 13 -10.098 15.797 -4.937
111 HD1 PHE 13 HD2 PHE 13 -6.491 16.279 -4.100
112 HD2 PHE 13 HD1 PHE 13 -9.620 16.793 -6.939
113 HE1 PHE 13 HE2 PHE 13 -4.925 17.424 -5.613
114 HE2 PHE 13 HE1 PHE 13 -8.059 17.938 -8.457
115 HZ PHE 13 HZ PHE 13 -5.709 18.257 -7.795
116 HA PRO 14 HA PRO 14 -12.889 17.840 -1.837
117 HB2 PRO 14 2HB PRO 14 -13.978 19.245 -3.883
118 HB3 PRO 14 3HB PRO 14 -12.802 19.943 -2.763
119 HG2 PRO 14 2HG PRO 14 -12.396 18.896 -5.531
120 HG3 PRO 14 3HG PRO 14 -11.678 20.318 -4.752
121 HD2 PRO 14 2HD PRO 14 -10.401 17.941 -5.081
122 HD3 PRO 14 3HD PRO 14 -10.014 19.091 -3.785
123 H SER 15 H SER 15 -12.227 16.148 -4.759
124 HA SER 15 HA SER 15 -14.893 15.458 -5.463
125 HB2 SER 15 2HB SER 15 -12.601 13.665 -6.149
126 HB3 SER 15 3HB SER 15 -13.961 14.179 -7.148
127 HG SER 15 HG SER 15 -12.328 15.358 -7.925
128 H SER 16 H SER 16 -12.603 14.219 -3.179
129 HA SER 16 HA SER 16 -13.748 11.638 -2.849
130 HB2 SER 16 2HB SER 16 -12.294 11.395 -0.986
131 HB3 SER 16 3HB SER 16 -11.413 12.394 -2.142
132 HG SER 16 HG SER 16 -11.446 13.120 0.126
133 H GLU 17 H GLU 17 -14.451 14.791 -1.556
134 HA GLU 17 HA GLU 17 -16.173 13.762 0.534
135 HB2 GLU 17 2HB GLU 17 -15.436 16.526 -0.400
136 HB3 GLU 17 3HB GLU 17 -16.731 16.267 0.761
137 HG2 GLU 17 2HG GLU 17 -14.795 14.831 1.929
138 HG3 GLU 17 3HG GLU 17 -13.812 16.028 1.087
Start of MODEL 11
1 H1 ARG 1 H ARG 1 4.641 -0.581 -1.532
2 HA ARG 1 HA ARG 1 2.758 -0.240 -2.777
3 HB2 ARG 1 2HB ARG 1 0.722 0.326 -1.403
4 HB3 ARG 1 3HB ARG 1 1.650 -1.055 -0.833
5 HG2 ARG 1 2HG ARG 1 2.442 1.499 0.357
6 HG3 ARG 1 3HG ARG 1 0.789 1.000 0.720
7 HD2 ARG 1 2HD ARG 1 2.090 -1.329 1.106
8 HD3 ARG 1 3HD ARG 1 3.359 -0.187 1.545
9 HE ARG 1 HE ARG 1 0.999 0.577 2.837
10 HH11 ARG 1 1HH1 ARG 1 3.324 -2.013 2.873
11 HH12 ARG 1 2HH1 ARG 1 3.080 -2.384 4.547
12 HH21 ARG 1 1HH2 ARG 1 0.668 0.098 5.042
13 HH22 ARG 1 2HH2 ARG 1 1.568 -1.183 5.780
14 H SER 2 H SER 2 4.013 1.581 -3.784
15 HA SER 2 HA SER 2 3.181 4.257 -3.051
16 HB2 SER 2 2HB SER 2 4.557 4.791 -5.204
17 HB3 SER 2 3HB SER 2 5.404 4.244 -3.757
18 HG SER 2 HG SER 2 6.157 2.744 -5.016
19 H LYS 3 H LYS 3 2.474 1.864 -5.502
20 HA LYS 3 HA LYS 3 1.023 3.600 -7.234
21 HB2 LYS 3 2HB LYS 3 1.705 0.779 -7.112
22 HB3 LYS 3 3HB LYS 3 0.047 1.022 -7.648
23 HG2 LYS 3 2HG LYS 3 1.569 2.889 -9.063
24 HG3 LYS 3 3HG LYS 3 2.505 1.393 -9.084
25 HD2 LYS 3 2HD LYS 3 0.888 0.239 -10.242
26 HD3 LYS 3 3HD LYS 3 -0.419 1.270 -9.655
27 HE2 LYS 3 2HE LYS 3 1.468 2.793 -11.213
28 HE3 LYS 3 3HE LYS 3 0.880 1.406 -12.130
29 HZ1 LYS 3 3HZ LYS 3 -1.386 2.113 -11.672
30 HZ2 LYS 3 1HZ LYS 3 -0.525 3.338 -12.459
31 HZ3 LYS 3 2HZ LYS 3 -0.819 3.446 -10.797
32 H ASP 4 H ASP 4 0.248 1.815 -4.365
33 HA ASP 4 HA ASP 4 -2.615 2.046 -4.754
34 HB2 ASP 4 2HB ASP 4 -0.820 0.661 -2.876
35 HB3 ASP 4 3HB ASP 4 -2.308 1.268 -2.154
36 H LEU 5 H LEU 5 -0.055 3.746 -3.144
37 HA LEU 5 HA LEU 5 -1.736 5.247 -1.380
38 HB2 LEU 5 2HB LEU 5 1.024 4.855 -1.747
39 HB3 LEU 5 3HB LEU 5 0.736 6.580 -1.971
40 HG LEU 5 HG LEU 5 -0.548 6.389 0.285
41 HD11 LEU 5 1HD1 LEU 5 -0.386 3.883 0.279
42 HD12 LEU 5 2HD1 LEU 5 0.163 4.671 1.758
43 HD13 LEU 5 3HD1 LEU 5 1.340 4.066 0.592
44 HD21 LEU 5 3HD2 LEU 5 2.457 6.255 0.079
45 HD22 LEU 5 1HD2 LEU 5 1.564 6.784 1.505
46 HD23 LEU 5 2HD2 LEU 5 1.454 7.704 0.004
47 H ARG 6 H ARG 6 -0.637 5.589 -4.656
48 HA ARG 6 HA ARG 6 -0.936 8.326 -5.051
49 HB2 ARG 6 2HB ARG 6 -0.036 6.553 -6.666
50 HB3 ARG 6 3HB ARG 6 -1.715 6.264 -7.103
51 HG2 ARG 6 2HG ARG 6 -1.953 8.545 -7.858
52 HG3 ARG 6 3HG ARG 6 -0.312 8.918 -7.325
53 HD2 ARG 6 2HD ARG 6 -0.269 6.625 -9.038
54 HD3 ARG 6 3HD ARG 6 -1.146 7.933 -9.830
55 HE ARG 6 HE ARG 6 1.103 9.129 -8.876
56 HH11 ARG 6 1HH1 ARG 6 0.483 6.370 -10.905
57 HH12 ARG 6 2HH1 ARG 6 1.951 6.540 -11.809
58 HH21 ARG 6 1HH2 ARG 6 3.039 9.365 -10.059
59 HH22 ARG 6 2HH2 ARG 6 3.405 8.244 -11.326
60 H HIS 7 H HIS 7 -3.335 5.794 -4.829
61 HA HIS 7 HA HIS 7 -5.502 7.382 -5.826
62 HB2 HIS 7 2HB HIS 7 -5.246 4.703 -4.520
63 HB3 HIS 7 3HB HIS 7 -6.831 5.467 -4.595
64 HD1 HIS 7 HD1 HIS 7 -7.634 3.578 -6.204
65 HD2 HIS 7 HD2 HIS 7 -4.537 5.916 -7.688
66 HE1 HIS 7 HE1 HIS 7 -7.523 3.064 -8.663
67 H ALA 8 H ALA 8 -3.883 7.105 -2.828
68 HA ALA 8 HA ALA 8 -6.059 7.916 -1.150
69 HB1 ALA 8 1HB ALA 8 -3.278 8.381 -0.259
70 HB2 ALA 8 2HB ALA 8 -4.633 7.633 0.587
71 HB3 ALA 8 3HB ALA 8 -3.732 6.716 -0.620
72 H PHE 9 H PHE 9 -3.765 9.531 -3.154
73 HA PHE 9 HA PHE 9 -3.690 12.040 -1.877
74 HB2 PHE 9 2HB PHE 9 -3.133 11.070 -4.652
75 HB3 PHE 9 3HB PHE 9 -3.224 12.803 -4.355
76 HD1 PHE 9 HD1 PHE 9 -1.594 9.741 -2.993
77 HD2 PHE 9 HD2 PHE 9 -1.309 13.920 -3.747
78 HE1 PHE 9 HE1 PHE 9 0.737 9.721 -2.204
79 HE2 PHE 9 HE2 PHE 9 1.022 13.906 -2.960
80 HZ PHE 9 HZ PHE 9 2.049 11.805 -2.189
81 H ARG 10 H ARG 10 -6.054 10.519 -3.909
82 HA ARG 10 HA ARG 10 -7.450 12.913 -4.621
83 HB2 ARG 10 2HB ARG 10 -7.651 10.976 -6.043
84 HB3 ARG 10 3HB ARG 10 -8.256 10.004 -4.708
85 HG2 ARG 10 2HG ARG 10 -10.331 11.053 -4.720
86 HG3 ARG 10 3HG ARG 10 -9.726 12.445 -5.620
87 HD2 ARG 10 2HD ARG 10 -9.825 11.361 -7.632
88 HD3 ARG 10 3HD ARG 10 -9.583 9.771 -6.909
89 HE ARG 10 HE ARG 10 -12.101 10.997 -6.243
90 HH11 ARG 10 1HH1 ARG 10 -10.384 9.002 -8.521
91 HH12 ARG 10 2HH1 ARG 10 -11.813 8.224 -9.116
92 HH21 ARG 10 1HH2 ARG 10 -13.991 9.981 -7.019
93 HH22 ARG 10 2HH2 ARG 10 -13.864 8.782 -8.262
94 H SEP 11 H SEP 11 -7.476 10.705 -1.908
95 HA SEP 11 HA SEP 11 -10.107 11.289 -0.945
96 HB2 SEP 11 2HB SEP 11 -9.375 9.478 0.326
97 HB3 SEP 11 3HB SEP 11 -7.689 9.860 0.081
98 H MET 12 H MET 12 -7.043 12.919 -0.612
99 HA MET 12 HA MET 12 -7.921 14.840 1.301
100 HB2 MET 12 2HB MET 12 -5.515 14.164 0.761
101 HB3 MET 12 3HB MET 12 -5.650 15.213 -0.644
102 HG2 MET 12 2HG MET 12 -6.414 16.978 1.129
103 HG3 MET 12 3HG MET 12 -5.562 15.913 2.245
104 HE1 MET 12 3HE MET 12 -3.026 17.918 2.648
105 HE2 MET 12 1HE MET 12 -3.725 16.335 2.991
106 HE3 MET 12 2HE MET 12 -2.203 16.454 2.107
107 H PHE 13 H PHE 13 -8.141 14.560 -2.143
108 HA PHE 13 HA PHE 13 -8.562 17.310 -2.726
109 HB2 PHE 13 2HB PHE 13 -8.578 14.793 -4.174
110 HB3 PHE 13 3HB PHE 13 -9.883 15.850 -4.701
111 HD1 PHE 13 HD2 PHE 13 -6.421 16.620 -3.567
112 HD2 PHE 13 HD1 PHE 13 -9.261 16.736 -6.735
113 HE1 PHE 13 HE2 PHE 13 -4.828 17.892 -4.944
114 HE2 PHE 13 HE1 PHE 13 -7.672 18.007 -8.118
115 HZ PHE 13 HZ PHE 13 -5.453 18.588 -7.223
116 HA PRO 14 HA PRO 14 -12.795 17.900 -1.718
117 HB2 PRO 14 2HB PRO 14 -13.660 19.486 -3.742
118 HB3 PRO 14 3HB PRO 14 -12.555 20.053 -2.484
119 HG2 PRO 14 2HG PRO 14 -11.970 19.209 -5.283
120 HG3 PRO 14 3HG PRO 14 -11.233 20.503 -4.321
121 HD2 PRO 14 2HD PRO 14 -10.068 18.085 -4.761
122 HD3 PRO 14 3HD PRO 14 -9.731 19.138 -3.372
123 H SER 15 H SER 15 -11.986 16.388 -4.704
124 HA SER 15 HA SER 15 -14.619 15.869 -5.640
125 HB2 SER 15 2HB SER 15 -12.938 13.830 -6.603
126 HB3 SER 15 3HB SER 15 -13.392 15.318 -7.433
127 HG SER 15 HG SER 15 -11.533 16.249 -6.821
128 H SER 16 H SER 16 -12.547 14.368 -3.304
129 HA SER 16 HA SER 16 -14.012 11.884 -3.232
130 HB2 SER 16 2HB SER 16 -11.597 12.985 -1.965
131 HB3 SER 16 3HB SER 16 -12.540 11.923 -0.920
132 HG SER 16 HG SER 16 -12.004 10.269 -2.116
133 H GLU 17 H GLU 17 -13.971 14.914 -1.480
134 HA GLU 17 HA GLU 17 -15.681 13.977 0.636
135 HB2 GLU 17 2HB GLU 17 -14.892 16.788 -0.151
136 HB3 GLU 17 3HB GLU 17 -15.740 16.345 1.325
137 HG2 GLU 17 2HG GLU 17 -13.871 15.282 2.224
138 HG3 GLU 17 3HG GLU 17 -13.066 15.175 0.659
Start of MODEL 12
1 H1 ARG 1 H ARG 1 2.804 -0.452 0.771
2 HA ARG 1 HA ARG 1 3.977 0.288 -1.098
3 HB2 ARG 1 2HB ARG 1 1.402 -0.947 -1.721
4 HB3 ARG 1 3HB ARG 1 2.032 0.029 -3.041
5 HG2 ARG 1 2HG ARG 1 3.239 -1.737 -3.622
6 HG3 ARG 1 3HG ARG 1 4.220 -1.435 -2.187
7 HD2 ARG 1 2HD ARG 1 2.944 -2.966 -0.892
8 HD3 ARG 1 3HD ARG 1 1.710 -3.095 -2.145
9 HE ARG 1 HE ARG 1 2.984 -4.693 -3.156
10 HH11 ARG 1 1HH1 ARG 1 5.015 -2.836 -1.024
11 HH12 ARG 1 2HH1 ARG 1 6.407 -3.840 -1.263
12 HH21 ARG 1 1HH2 ARG 1 4.809 -6.023 -3.478
13 HH22 ARG 1 2HH2 ARG 1 6.288 -5.652 -2.660
14 H SER 2 H SER 2 4.039 1.737 -3.007
15 HA SER 2 HA SER 2 3.093 4.352 -2.261
16 HB2 SER 2 2HB SER 2 4.213 4.648 -4.757
17 HB3 SER 2 3HB SER 2 5.090 4.762 -3.232
18 HG SER 2 HG SER 2 6.034 3.277 -4.735
19 H LYS 3 H LYS 3 2.164 1.859 -4.482
20 HA LYS 3 HA LYS 3 0.577 3.495 -6.200
21 HB2 LYS 3 2HB LYS 3 1.343 0.740 -6.034
22 HB3 LYS 3 3HB LYS 3 -0.403 0.834 -6.224
23 HG2 LYS 3 2HG LYS 3 -0.089 2.255 -8.207
24 HG3 LYS 3 3HG LYS 3 1.659 2.084 -8.029
25 HD2 LYS 3 2HD LYS 3 0.194 -0.454 -8.042
26 HD3 LYS 3 3HD LYS 3 0.067 0.464 -9.545
27 HE2 LYS 3 2HE LYS 3 2.282 0.248 -10.023
28 HE3 LYS 3 3HE LYS 3 2.757 0.221 -8.325
29 HZ1 LYS 3 3HZ LYS 3 1.521 -2.062 -8.384
30 HZ2 LYS 3 1HZ LYS 3 3.124 -1.938 -8.913
31 HZ3 LYS 3 2HZ LYS 3 1.862 -1.983 -10.039
32 H ASP 4 H ASP 4 0.063 1.920 -3.153
33 HA ASP 4 HA ASP 4 -2.810 2.050 -3.266
34 HB2 ASP 4 2HB ASP 4 -0.773 1.138 -1.318
35 HB3 ASP 4 3HB ASP 4 -2.300 1.696 -0.638
36 H LEU 5 H LEU 5 -0.207 4.045 -2.058
37 HA LEU 5 HA LEU 5 -1.877 5.775 -0.506
38 HB2 LEU 5 2HB LEU 5 0.931 5.470 -1.073
39 HB3 LEU 5 3HB LEU 5 0.454 7.162 -1.189
40 HG LEU 5 HG LEU 5 -0.123 5.450 1.221
41 HD11 LEU 5 1HD1 LEU 5 1.804 6.481 2.277
42 HD12 LEU 5 2HD1 LEU 5 2.192 7.331 0.782
43 HD13 LEU 5 3HD1 LEU 5 2.298 5.572 0.848
44 HD21 LEU 5 3HD2 LEU 5 0.045 8.444 0.997
45 HD22 LEU 5 1HD2 LEU 5 -0.619 7.481 2.317
46 HD23 LEU 5 2HD2 LEU 5 -1.459 7.551 0.767
47 H ARG 6 H ARG 6 -0.851 5.627 -3.821
48 HA ARG 6 HA ARG 6 -1.206 8.267 -4.621
49 HB2 ARG 6 2HB ARG 6 -0.520 5.973 -5.888
50 HB3 ARG 6 3HB ARG 6 -2.152 6.194 -6.504
51 HG2 ARG 6 2HG ARG 6 -1.479 7.771 -7.906
52 HG3 ARG 6 3HG ARG 6 -0.694 8.670 -6.606
53 HD2 ARG 6 2HD ARG 6 1.200 6.975 -6.806
54 HD3 ARG 6 3HD ARG 6 0.446 6.483 -8.322
55 HE ARG 6 HE ARG 6 0.902 9.306 -8.165
56 HH11 ARG 6 1HH1 ARG 6 2.357 6.234 -8.914
57 HH12 ARG 6 2HH1 ARG 6 3.552 6.910 -9.970
58 HH21 ARG 6 1HH2 ARG 6 2.470 10.209 -9.553
59 HH22 ARG 6 2HH2 ARG 6 3.617 9.172 -10.332
60 H HIS 7 H HIS 7 -3.555 5.765 -3.960
61 HA HIS 7 HA HIS 7 -5.769 7.151 -5.138
62 HB2 HIS 7 2HB HIS 7 -5.302 4.601 -3.840
63 HB3 HIS 7 3HB HIS 7 -6.787 5.347 -3.258
64 HD1 HIS 7 HD1 HIS 7 -8.675 5.754 -5.026
65 HD2 HIS 7 HD2 HIS 7 -5.389 3.640 -6.438
66 HE1 HIS 7 HE1 HIS 7 -9.415 4.735 -7.202
67 H ALA 8 H ALA 8 -4.085 7.358 -2.171
68 HA ALA 8 HA ALA 8 -6.241 8.386 -0.588
69 HB1 ALA 8 1HB ALA 8 -3.727 7.410 -0.044
70 HB2 ALA 8 2HB ALA 8 -3.571 9.134 0.295
71 HB3 ALA 8 3HB ALA 8 -4.811 8.182 1.113
72 H PHE 9 H PHE 9 -4.016 9.708 -2.866
73 HA PHE 9 HA PHE 9 -3.937 12.379 -1.996
74 HB2 PHE 9 2HB PHE 9 -3.032 10.886 -4.252
75 HB3 PHE 9 3HB PHE 9 -3.870 12.316 -4.843
76 HD1 PHE 9 HD1 PHE 9 -1.049 11.104 -2.831
77 HD2 PHE 9 HD2 PHE 9 -2.965 14.502 -4.532
78 HE1 PHE 9 HE1 PHE 9 0.950 12.460 -2.365
79 HE2 PHE 9 HE2 PHE 9 -0.969 15.864 -4.069
80 HZ PHE 9 HZ PHE 9 0.993 14.843 -2.985
81 H ARG 10 H ARG 10 -6.362 10.552 -3.675
82 HA ARG 10 HA ARG 10 -7.819 12.803 -4.674
83 HB2 ARG 10 2HB ARG 10 -8.004 9.925 -4.808
84 HB3 ARG 10 3HB ARG 10 -9.577 10.625 -4.449
85 HG2 ARG 10 2HG ARG 10 -7.904 11.700 -6.683
86 HG3 ARG 10 3HG ARG 10 -8.900 10.260 -6.905
87 HD2 ARG 10 2HD ARG 10 -10.201 12.601 -5.648
88 HD3 ARG 10 3HD ARG 10 -9.790 12.747 -7.357
89 HE ARG 10 HE ARG 10 -11.864 11.140 -6.213
90 HH11 ARG 10 1HH1 ARG 10 -9.651 11.423 -8.886
91 HH12 ARG 10 2HH1 ARG 10 -10.635 10.494 -9.968
92 HH21 ARG 10 1HH2 ARG 10 -13.168 9.915 -7.628
93 HH22 ARG 10 2HH2 ARG 10 -12.635 9.637 -9.252
94 H SEP 11 H SEP 11 -7.712 11.009 -1.670
95 HA SEP 11 HA SEP 11 -10.312 11.748 -0.704
96 HB2 SEP 11 2HB SEP 11 -8.223 10.089 0.255
97 HB3 SEP 11 3HB SEP 11 -8.189 11.389 1.419
98 H MET 12 H MET 12 -7.211 13.338 -0.692
99 HA MET 12 HA MET 12 -7.982 15.505 0.992
100 HB2 MET 12 2HB MET 12 -5.608 14.601 -0.242
101 HB3 MET 12 3HB MET 12 -5.879 16.239 -0.824
102 HG2 MET 12 2HG MET 12 -6.257 15.896 2.059
103 HG3 MET 12 3HG MET 12 -4.618 15.591 1.488
104 HE1 MET 12 3HE MET 12 -3.020 17.072 0.922
105 HE2 MET 12 1HE MET 12 -3.631 17.820 -0.554
106 HE3 MET 12 2HE MET 12 -3.107 18.830 0.794
107 H PHE 13 H PHE 13 -8.336 14.797 -2.378
108 HA PHE 13 HA PHE 13 -8.730 17.460 -3.291
109 HB2 PHE 13 2HB PHE 13 -8.868 14.774 -4.403
110 HB3 PHE 13 3HB PHE 13 -10.146 15.811 -5.027
111 HD1 PHE 13 HD2 PHE 13 -6.592 16.475 -4.114
112 HD2 PHE 13 HD1 PHE 13 -9.584 16.505 -7.141
113 HE1 PHE 13 HE2 PHE 13 -4.993 17.497 -5.680
114 HE2 PHE 13 HE1 PHE 13 -7.990 17.526 -8.712
115 HZ PHE 13 HZ PHE 13 -5.691 18.025 -7.982
116 HA PRO 14 HA PRO 14 -12.911 18.267 -2.217
117 HB2 PRO 14 2HB PRO 14 -13.825 19.607 -4.390
118 HB3 PRO 14 3HB PRO 14 -12.655 20.300 -3.261
119 HG2 PRO 14 2HG PRO 14 -12.205 19.074 -5.944
120 HG3 PRO 14 3HG PRO 14 -11.421 20.483 -5.207
121 HD2 PRO 14 2HD PRO 14 -10.300 18.005 -5.355
122 HD3 PRO 14 3HD PRO 14 -9.888 19.215 -4.123
123 H SER 15 H SER 15 -12.242 16.372 -5.014
124 HA SER 15 HA SER 15 -14.918 15.798 -5.782
125 HB2 SER 15 2HB SER 15 -14.004 14.359 -7.349
126 HB3 SER 15 3HB SER 15 -12.639 15.436 -7.057
127 HG SER 15 HG SER 15 -11.890 13.860 -5.522
128 H SER 16 H SER 16 -12.787 14.559 -3.348
129 HA SER 16 HA SER 16 -14.348 12.162 -2.898
130 HB2 SER 16 2HB SER 16 -11.832 12.316 -2.575
131 HB3 SER 16 3HB SER 16 -12.163 13.269 -1.129
132 HG SER 16 HG SER 16 -11.999 10.727 -1.187
133 H GLU 17 H GLU 17 -14.087 15.386 -1.615
134 HA GLU 17 HA GLU 17 -15.560 14.838 0.789
135 HB2 GLU 17 2HB GLU 17 -13.982 16.949 -0.169
136 HB3 GLU 17 3HB GLU 17 -15.598 17.619 0.002
137 HG2 GLU 17 2HG GLU 17 -13.978 16.256 2.139
138 HG3 GLU 17 3HG GLU 17 -14.353 17.975 2.025
Start of MODEL 13
1 H1 ARG 1 H ARG 1 2.586 1.010 1.546
2 HA ARG 1 HA ARG 1 3.719 1.073 -0.436
3 HB2 ARG 1 2HB ARG 1 1.313 -0.381 -0.753
4 HB3 ARG 1 3HB ARG 1 1.537 0.553 -2.226
5 HG2 ARG 1 2HG ARG 1 3.896 -0.900 -1.192
6 HG3 ARG 1 3HG ARG 1 2.585 -1.867 -1.871
7 HD2 ARG 1 2HD ARG 1 2.818 0.094 -3.735
8 HD3 ARG 1 3HD ARG 1 4.488 -0.059 -3.192
9 HE ARG 1 HE ARG 1 3.062 -1.888 -4.825
10 HH11 ARG 1 1HH1 ARG 1 5.444 -1.725 -2.292
11 HH12 ARG 1 2HH1 ARG 1 6.209 -3.214 -2.737
12 HH21 ARG 1 1HH2 ARG 1 4.061 -3.849 -5.422
13 HH22 ARG 1 2HH2 ARG 1 5.423 -4.421 -4.519
14 H SER 2 H SER 2 3.681 1.971 -2.763
15 HA SER 2 HA SER 2 2.905 4.763 -2.561
16 HB2 SER 2 2HB SER 2 4.891 3.218 -4.064
17 HB3 SER 2 3HB SER 2 4.103 4.468 -5.026
18 HG SER 2 HG SER 2 6.066 5.014 -3.687
19 H LYS 3 H LYS 3 2.049 1.890 -4.350
20 HA LYS 3 HA LYS 3 0.462 3.252 -6.312
21 HB2 LYS 3 2HB LYS 3 1.132 0.457 -5.643
22 HB3 LYS 3 3HB LYS 3 -0.451 0.692 -6.373
23 HG2 LYS 3 2HG LYS 3 0.618 1.873 -8.251
24 HG3 LYS 3 3HG LYS 3 2.195 1.546 -7.529
25 HD2 LYS 3 2HD LYS 3 1.855 -0.832 -7.753
26 HD3 LYS 3 3HD LYS 3 0.205 -0.577 -8.328
27 HE2 LYS 3 2HE LYS 3 1.427 0.878 -10.151
28 HE3 LYS 3 3HE LYS 3 2.801 -0.141 -9.725
29 HZ1 LYS 3 3HZ LYS 3 0.144 -1.110 -10.634
30 HZ2 LYS 3 1HZ LYS 3 1.460 -2.090 -10.221
31 HZ3 LYS 3 2HZ LYS 3 1.554 -1.072 -11.568
32 H ASP 4 H ASP 4 -0.053 1.993 -3.125
33 HA ASP 4 HA ASP 4 -2.945 2.052 -3.360
34 HB2 ASP 4 2HB ASP 4 -1.020 0.897 -1.544
35 HB3 ASP 4 3HB ASP 4 -2.235 1.807 -0.651
36 H LEU 5 H LEU 5 -0.368 4.089 -2.252
37 HA LEU 5 HA LEU 5 -1.994 5.814 -0.647
38 HB2 LEU 5 2HB LEU 5 0.776 5.516 -1.281
39 HB3 LEU 5 3HB LEU 5 0.304 7.194 -1.542
40 HG LEU 5 HG LEU 5 1.208 6.890 0.689
41 HD11 LEU 5 1HD1 LEU 5 -0.520 8.563 0.399
42 HD12 LEU 5 2HD1 LEU 5 -0.667 7.804 1.984
43 HD13 LEU 5 3HD1 LEU 5 -1.771 7.353 0.684
44 HD21 LEU 5 3HD2 LEU 5 0.815 4.627 1.188
45 HD22 LEU 5 1HD2 LEU 5 -0.918 4.778 0.898
46 HD23 LEU 5 2HD2 LEU 5 -0.194 5.529 2.320
47 H ARG 6 H ARG 6 -1.137 5.621 -4.008
48 HA ARG 6 HA ARG 6 -1.592 8.236 -4.839
49 HB2 ARG 6 2HB ARG 6 -1.296 5.663 -6.068
50 HB3 ARG 6 3HB ARG 6 -2.625 6.519 -6.838
51 HG2 ARG 6 2HG ARG 6 -1.218 8.340 -7.431
52 HG3 ARG 6 3HG ARG 6 0.102 7.719 -6.438
53 HD2 ARG 6 2HD ARG 6 -0.957 5.929 -8.546
54 HD3 ARG 6 3HD ARG 6 -0.039 7.336 -9.080
55 HE ARG 6 HE ARG 6 0.988 4.993 -7.794
56 HH11 ARG 6 1HH1 ARG 6 1.491 8.400 -8.300
57 HH12 ARG 6 2HH1 ARG 6 3.200 8.321 -8.027
58 HH21 ARG 6 1HH2 ARG 6 3.237 4.876 -7.433
59 HH22 ARG 6 2HH2 ARG 6 4.192 6.315 -7.535
60 H HIS 7 H HIS 7 -3.847 5.698 -4.010
61 HA HIS 7 HA HIS 7 -6.150 7.013 -5.096
62 HB2 HIS 7 2HB HIS 7 -5.581 4.461 -4.114
63 HB3 HIS 7 3HB HIS 7 -6.745 5.128 -2.972
64 HD1 HIS 7 HD1 HIS 7 -6.523 5.225 -6.779
65 HD2 HIS 7 HD2 HIS 7 -9.196 4.312 -3.733
66 HE1 HIS 7 HE1 HIS 7 -8.666 4.591 -7.933
67 H ALA 8 H ALA 8 -4.320 7.316 -2.226
68 HA ALA 8 HA ALA 8 -6.414 8.328 -0.551
69 HB1 ALA 8 1HB ALA 8 -3.877 7.398 -0.103
70 HB2 ALA 8 2HB ALA 8 -3.698 9.134 0.153
71 HB3 ALA 8 3HB ALA 8 -4.890 8.224 1.081
72 H PHE 9 H PHE 9 -4.340 9.652 -2.967
73 HA PHE 9 HA PHE 9 -4.286 12.342 -2.148
74 HB2 PHE 9 2HB PHE 9 -3.535 10.818 -4.484
75 HB3 PHE 9 3HB PHE 9 -4.299 12.332 -4.958
76 HD1 PHE 9 HD1 PHE 9 -1.892 11.250 -2.314
77 HD2 PHE 9 HD2 PHE 9 -2.816 14.007 -5.422
78 HE1 PHE 9 HE1 PHE 9 0.216 12.443 -1.878
79 HE2 PHE 9 HE2 PHE 9 -0.709 15.204 -4.992
80 HZ PHE 9 HZ PHE 9 0.810 14.421 -3.218
81 H ARG 10 H ARG 10 -6.739 10.419 -3.660
82 HA ARG 10 HA ARG 10 -8.292 12.599 -4.668
83 HB2 ARG 10 2HB ARG 10 -9.110 9.748 -4.077
84 HB3 ARG 10 3HB ARG 10 -10.042 10.909 -5.012
85 HG2 ARG 10 2HG ARG 10 -7.277 10.014 -5.781
86 HG3 ARG 10 3HG ARG 10 -8.751 9.226 -6.347
87 HD2 ARG 10 2HD ARG 10 -9.470 11.554 -7.132
88 HD3 ARG 10 3HD ARG 10 -7.785 12.016 -6.892
89 HE ARG 10 HE ARG 10 -8.855 10.414 -9.019
90 HH11 ARG 10 1HH1 ARG 10 -6.015 11.127 -7.137
91 HH12 ARG 10 2HH1 ARG 10 -4.910 10.595 -8.362
92 HH21 ARG 10 1HH2 ARG 10 -7.412 9.710 -10.639
93 HH22 ARG 10 2HH2 ARG 10 -5.706 9.790 -10.353
94 H SEP 11 H SEP 11 -7.994 10.942 -1.600
95 HA SEP 11 HA SEP 11 -10.566 11.735 -0.554
96 HB2 SEP 11 2HB SEP 11 -9.343 9.835 0.501
97 HB3 SEP 11 3HB SEP 11 -7.964 10.836 0.879
98 H MET 12 H MET 12 -7.417 13.224 -0.683
99 HA MET 12 HA MET 12 -8.053 15.434 1.000
100 HB2 MET 12 2HB MET 12 -5.746 14.423 -0.157
101 HB3 MET 12 3HB MET 12 -5.988 15.950 -0.994
102 HG2 MET 12 2HG MET 12 -6.234 15.948 1.958
103 HG3 MET 12 3HG MET 12 -4.624 15.766 1.265
104 HE1 MET 12 3HE MET 12 -3.597 18.520 -0.420
105 HE2 MET 12 1HE MET 12 -3.401 18.846 1.303
106 HE3 MET 12 2HE MET 12 -3.275 17.194 0.699
107 H PHE 13 H PHE 13 -8.563 14.696 -2.343
108 HA PHE 13 HA PHE 13 -8.906 17.360 -3.276
109 HB2 PHE 13 2HB PHE 13 -9.335 14.638 -4.331
110 HB3 PHE 13 3HB PHE 13 -10.387 15.875 -5.011
111 HD1 PHE 13 HD2 PHE 13 -6.794 15.795 -3.999
112 HD2 PHE 13 HD1 PHE 13 -9.646 16.559 -7.065
113 HE1 PHE 13 HE2 PHE 13 -4.981 16.503 -5.505
114 HE2 PHE 13 HE1 PHE 13 -7.838 17.267 -8.576
115 HZ PHE 13 HZ PHE 13 -5.502 17.241 -7.796
116 HA PRO 14 HA PRO 14 -13.015 18.313 -2.055
117 HB2 PRO 14 2HB PRO 14 -13.970 19.655 -4.208
118 HB3 PRO 14 3HB PRO 14 -12.735 20.324 -3.135
119 HG2 PRO 14 2HG PRO 14 -12.429 19.050 -5.817
120 HG3 PRO 14 3HG PRO 14 -11.573 20.443 -5.131
121 HD2 PRO 14 2HD PRO 14 -10.542 17.930 -5.288
122 HD3 PRO 14 3HD PRO 14 -10.036 19.136 -4.088
123 H SER 15 H SER 15 -12.514 16.363 -4.848
124 HA SER 15 HA SER 15 -15.234 15.865 -5.507
125 HB2 SER 15 2HB SER 15 -13.118 15.445 -6.935
126 HB3 SER 15 3HB SER 15 -12.994 13.927 -6.045
127 HG SER 15 HG SER 15 -14.433 13.181 -7.365
128 H SER 16 H SER 16 -13.051 14.589 -3.138
129 HA SER 16 HA SER 16 -14.643 12.236 -2.603
130 HB2 SER 16 2HB SER 16 -12.372 11.854 -2.195
131 HB3 SER 16 3HB SER 16 -12.149 13.419 -1.414
132 HG SER 16 HG SER 16 -13.067 11.025 -0.371
133 H GLU 17 H GLU 17 -14.247 15.462 -1.314
134 HA GLU 17 HA GLU 17 -15.767 14.946 1.074
135 HB2 GLU 17 2HB GLU 17 -14.148 17.078 0.040
136 HB3 GLU 17 3HB GLU 17 -15.703 17.724 0.545
137 HG2 GLU 17 2HG GLU 17 -14.289 17.893 2.412
138 HG3 GLU 17 3HG GLU 17 -15.356 16.528 2.735
Start of MODEL 14
1 H1 ARG 1 H ARG 1 4.637 -0.744 -1.180
2 HA ARG 1 HA ARG 1 2.831 -0.547 -3.159
3 HB2 ARG 1 2HB ARG 1 1.123 0.072 -1.380
4 HB3 ARG 1 3HB ARG 1 2.080 -1.371 -1.077
5 HG2 ARG 1 2HG ARG 1 3.561 -0.030 0.384
6 HG3 ARG 1 3HG ARG 1 2.485 1.349 0.146
7 HD2 ARG 1 2HD ARG 1 0.925 -0.914 0.899
8 HD3 ARG 1 3HD ARG 1 2.266 -0.752 2.031
9 HE ARG 1 HE ARG 1 0.019 1.021 1.735
10 HH11 ARG 1 1HH1 ARG 1 3.307 0.708 2.837
11 HH12 ARG 1 2HH1 ARG 1 3.195 2.025 3.957
12 HH21 ARG 1 1HH2 ARG 1 -0.141 2.757 3.206
13 HH22 ARG 1 2HH2 ARG 1 1.233 3.189 4.167
14 H SER 2 H SER 2 4.418 1.489 -3.909
15 HA SER 2 HA SER 2 3.432 4.058 -3.160
16 HB2 SER 2 2HB SER 2 5.607 4.158 -3.974
17 HB3 SER 2 3HB SER 2 5.275 3.031 -5.290
18 HG SER 2 HG SER 2 5.358 5.600 -5.487
19 H LYS 3 H LYS 3 2.566 1.701 -5.561
20 HA LYS 3 HA LYS 3 1.047 3.458 -7.222
21 HB2 LYS 3 2HB LYS 3 1.959 1.333 -8.057
22 HB3 LYS 3 3HB LYS 3 0.921 0.449 -6.945
23 HG2 LYS 3 2HG LYS 3 -1.051 1.257 -8.094
24 HG3 LYS 3 3HG LYS 3 -0.048 2.231 -9.171
25 HD2 LYS 3 2HD LYS 3 1.028 0.161 -9.985
26 HD3 LYS 3 3HD LYS 3 -0.058 -0.780 -8.959
27 HE2 LYS 3 2HE LYS 3 -1.874 0.678 -10.260
28 HE3 LYS 3 3HE LYS 3 -0.602 0.682 -11.481
29 HZ1 LYS 3 3HZ LYS 3 -2.084 -1.168 -11.827
30 HZ2 LYS 3 1HZ LYS 3 -1.838 -1.720 -10.247
31 HZ3 LYS 3 2HZ LYS 3 -0.565 -1.749 -11.360
32 H ASP 4 H ASP 4 0.377 1.530 -4.386
33 HA ASP 4 HA ASP 4 -2.478 1.772 -4.586
34 HB2 ASP 4 2HB ASP 4 -0.596 0.357 -2.931
35 HB3 ASP 4 3HB ASP 4 -1.771 1.190 -1.917
36 H LEU 5 H LEU 5 0.107 3.621 -3.198
37 HA LEU 5 HA LEU 5 -1.523 5.155 -1.415
38 HB2 LEU 5 2HB LEU 5 1.283 5.055 -2.223
39 HB3 LEU 5 3HB LEU 5 0.702 6.686 -1.892
40 HG LEU 5 HG LEU 5 0.345 4.445 0.079
41 HD11 LEU 5 1HD1 LEU 5 2.691 4.494 -0.267
42 HD12 LEU 5 2HD1 LEU 5 2.372 5.405 1.208
43 HD13 LEU 5 3HD1 LEU 5 2.717 6.257 -0.296
44 HD21 LEU 5 3HD2 LEU 5 0.760 7.019 1.211
45 HD22 LEU 5 1HD2 LEU 5 -0.684 6.008 1.266
46 HD23 LEU 5 2HD2 LEU 5 -0.462 7.158 -0.053
47 H ARG 6 H ARG 6 -0.615 5.371 -4.760
48 HA ARG 6 HA ARG 6 -1.023 8.076 -5.264
49 HB2 ARG 6 2HB ARG 6 -0.903 5.617 -6.826
50 HB3 ARG 6 3HB ARG 6 -2.003 6.800 -7.522
51 HG2 ARG 6 2HG ARG 6 0.006 8.437 -7.130
52 HG3 ARG 6 3HG ARG 6 0.943 6.941 -7.141
53 HD2 ARG 6 2HD ARG 6 0.018 6.372 -9.328
54 HD3 ARG 6 3HD ARG 6 -0.942 7.851 -9.313
55 HE ARG 6 HE ARG 6 1.629 8.704 -8.986
56 HH11 ARG 6 1HH1 ARG 6 -0.038 6.757 -11.342
57 HH12 ARG 6 2HH1 ARG 6 0.993 7.228 -12.653
58 HH21 ARG 6 1HH2 ARG 6 2.994 9.331 -10.703
59 HH22 ARG 6 2HH2 ARG 6 2.718 8.691 -12.288
60 H HIS 7 H HIS 7 -3.323 5.487 -4.792
61 HA HIS 7 HA HIS 7 -5.591 6.960 -5.739
62 HB2 HIS 7 2HB HIS 7 -5.674 4.553 -5.816
63 HB3 HIS 7 3HB HIS 7 -5.360 4.439 -4.087
64 HD1 HIS 7 HD1 HIS 7 -8.062 5.467 -6.512
65 HD2 HIS 7 HD2 HIS 7 -7.588 4.582 -2.481
66 HE1 HIS 7 HE1 HIS 7 -10.391 5.355 -5.570
67 H ALA 8 H ALA 8 -3.804 6.875 -2.827
68 HA ALA 8 HA ALA 8 -5.912 7.701 -1.070
69 HB1 ALA 8 1HB ALA 8 -3.266 8.412 -0.151
70 HB2 ALA 8 2HB ALA 8 -4.425 7.267 0.525
71 HB3 ALA 8 3HB ALA 8 -3.320 6.754 -0.750
72 H PHE 9 H PHE 9 -3.783 9.286 -3.270
73 HA PHE 9 HA PHE 9 -3.727 11.855 -2.115
74 HB2 PHE 9 2HB PHE 9 -2.857 10.620 -4.554
75 HB3 PHE 9 3HB PHE 9 -3.668 12.137 -4.931
76 HD1 PHE 9 HD2 PHE 9 -2.905 14.223 -3.655
77 HD2 PHE 9 HD1 PHE 9 -0.656 10.614 -3.828
78 HE1 PHE 9 HE2 PHE 9 -0.872 15.464 -3.038
79 HE2 PHE 9 HE1 PHE 9 1.381 11.849 -3.210
80 HZ PHE 9 HZ PHE 9 1.274 14.278 -2.816
81 H ARG 10 H ARG 10 -6.135 10.162 -3.946
82 HA ARG 10 HA ARG 10 -7.642 12.472 -4.709
83 HB2 ARG 10 2HB ARG 10 -7.830 9.585 -5.043
84 HB3 ARG 10 3HB ARG 10 -9.396 10.318 -4.723
85 HG2 ARG 10 2HG ARG 10 -9.141 10.262 -7.067
86 HG3 ARG 10 3HG ARG 10 -8.896 11.940 -6.577
87 HD2 ARG 10 2HD ARG 10 -6.392 10.573 -6.503
88 HD3 ARG 10 3HD ARG 10 -7.160 10.273 -8.061
89 HE ARG 10 HE ARG 10 -5.983 12.701 -7.196
90 HH11 ARG 10 1HH1 ARG 10 -8.658 11.442 -9.035
91 HH12 ARG 10 2HH1 ARG 10 -8.790 12.842 -10.047
92 HH21 ARG 10 1HH2 ARG 10 -6.148 14.550 -8.521
93 HH22 ARG 10 2HH2 ARG 10 -7.362 14.609 -9.754
94 H SEP 11 H SEP 11 -7.470 10.403 -1.891
95 HA SEP 11 HA SEP 11 -10.072 11.027 -0.836
96 HB2 SEP 11 2HB SEP 11 -8.556 9.061 -0.070
97 HB3 SEP 11 3HB SEP 11 -7.558 10.203 0.794
98 H MET 12 H MET 12 -6.966 12.600 -0.680
99 HA MET 12 HA MET 12 -7.694 14.569 1.239
100 HB2 MET 12 2HB MET 12 -5.339 13.775 0.171
101 HB3 MET 12 3HB MET 12 -5.614 15.246 -0.752
102 HG2 MET 12 2HG MET 12 -6.134 15.706 2.033
103 HG3 MET 12 3HG MET 12 -4.531 15.009 1.811
104 HE1 MET 12 3HE MET 12 -4.088 18.719 2.504
105 HE2 MET 12 1HE MET 12 -4.159 17.070 3.127
106 HE3 MET 12 2HE MET 12 -2.783 17.586 2.152
107 H PHE 13 H PHE 13 -8.153 14.239 -2.177
108 HA PHE 13 HA PHE 13 -8.581 16.985 -2.774
109 HB2 PHE 13 2HB PHE 13 -8.749 14.438 -4.174
110 HB3 PHE 13 3HB PHE 13 -10.047 15.533 -4.639
111 HD1 PHE 13 HD2 PHE 13 -6.481 16.149 -3.746
112 HD2 PHE 13 HD1 PHE 13 -9.535 16.416 -6.699
113 HE1 PHE 13 HE2 PHE 13 -4.931 17.346 -5.236
114 HE2 PHE 13 HE1 PHE 13 -7.990 17.613 -8.194
115 HZ PHE 13 HZ PHE 13 -5.685 18.080 -7.463
116 HA PRO 14 HA PRO 14 -12.726 17.651 -1.489
117 HB2 PRO 14 2HB PRO 14 -13.718 19.201 -3.479
118 HB3 PRO 14 3HB PRO 14 -12.513 19.783 -2.325
119 HG2 PRO 14 2HG PRO 14 -12.150 18.844 -5.135
120 HG3 PRO 14 3HG PRO 14 -11.345 20.174 -4.282
121 HD2 PRO 14 2HD PRO 14 -10.213 17.746 -4.714
122 HD3 PRO 14 3HD PRO 14 -9.771 18.817 -3.369
123 H SER 15 H SER 15 -12.138 16.045 -4.474
124 HA SER 15 HA SER 15 -14.834 15.540 -5.223
125 HB2 SER 15 2HB SER 15 -13.396 15.225 -7.006
126 HB3 SER 15 3HB SER 15 -12.163 14.449 -6.011
127 HG SER 15 HG SER 15 -13.363 12.581 -6.002
128 H SER 16 H SER 16 -12.639 14.079 -2.976
129 HA SER 16 HA SER 16 -13.935 11.558 -2.760
130 HB2 SER 16 2HB SER 16 -11.555 12.393 -1.935
131 HB3 SER 16 3HB SER 16 -12.442 12.713 -0.444
132 HG SER 16 HG SER 16 -13.233 10.381 -0.997
133 H GLU 17 H GLU 17 -14.515 14.695 -1.407
134 HA GLU 17 HA GLU 17 -16.258 13.714 0.684
135 HB2 GLU 17 2HB GLU 17 -15.061 16.274 -0.067
136 HB3 GLU 17 3HB GLU 17 -16.730 16.425 0.465
137 HG2 GLU 17 2HG GLU 17 -15.753 14.804 2.385
138 HG3 GLU 17 3HG GLU 17 -14.312 15.739 1.985
Start of MODEL 15
1 H1 ARG 1 H ARG 1 5.430 1.305 -1.252
2 HA ARG 1 HA ARG 1 3.781 0.108 -3.166
3 HB2 ARG 1 2HB ARG 1 2.402 0.524 -0.508
4 HB3 ARG 1 3HB ARG 1 1.636 0.024 -2.009
5 HG2 ARG 1 2HG ARG 1 3.094 -2.013 -1.967
6 HG3 ARG 1 3HG ARG 1 3.597 -1.531 -0.345
7 HD2 ARG 1 2HD ARG 1 1.057 -1.436 0.148
8 HD3 ARG 1 3HD ARG 1 0.904 -2.421 -1.306
9 HE ARG 1 HE ARG 1 1.908 -3.255 1.256
10 HH11 ARG 1 1HH1 ARG 1 1.917 -3.880 -2.169
11 HH12 ARG 1 2HH1 ARG 1 2.335 -5.552 -1.995
12 HH21 ARG 1 1HH2 ARG 1 2.459 -5.454 1.498
13 HH22 ARG 1 2HH2 ARG 1 2.643 -6.447 0.092
14 H SER 2 H SER 2 4.505 2.075 -4.124
15 HA SER 2 HA SER 2 3.606 4.593 -3.022
16 HB2 SER 2 2HB SER 2 5.792 4.182 -4.329
17 HB3 SER 2 3HB SER 2 4.778 4.215 -5.771
18 HG SER 2 HG SER 2 5.692 6.278 -5.182
19 H LYS 3 H LYS 3 2.563 2.292 -5.400
20 HA LYS 3 HA LYS 3 0.799 4.011 -6.826
21 HB2 LYS 3 2HB LYS 3 -0.140 1.932 -7.746
22 HB3 LYS 3 3HB LYS 3 1.618 1.943 -7.820
23 HG2 LYS 3 2HG LYS 3 1.777 0.448 -5.966
24 HG3 LYS 3 3HG LYS 3 0.043 0.568 -5.656
25 HD2 LYS 3 2HD LYS 3 1.119 -0.442 -8.273
26 HD3 LYS 3 3HD LYS 3 0.886 -1.511 -6.887
27 HE2 LYS 3 2HE LYS 3 -1.172 -1.775 -7.763
28 HE3 LYS 3 3HE LYS 3 -1.501 -0.250 -6.943
29 HZ1 LYS 3 3HZ LYS 3 -0.558 0.674 -9.222
30 HZ2 LYS 3 1HZ LYS 3 -2.195 0.305 -9.006
31 HZ3 LYS 3 2HZ LYS 3 -1.176 -0.796 -9.787
32 H ASP 4 H ASP 4 0.530 2.086 -3.929
33 HA ASP 4 HA ASP 4 -2.315 2.137 -3.766
34 HB2 ASP 4 2HB ASP 4 -0.075 1.322 -2.001
35 HB3 ASP 4 3HB ASP 4 -1.588 1.741 -1.203
36 H LEU 5 H LEU 5 0.255 4.251 -2.685
37 HA LEU 5 HA LEU 5 -1.398 5.838 -0.970
38 HB2 LEU 5 2HB LEU 5 1.321 5.564 -1.420
39 HB3 LEU 5 3HB LEU 5 0.954 7.181 -2.015
40 HG LEU 5 HG LEU 5 0.122 6.287 0.729
41 HD11 LEU 5 1HD1 LEU 5 2.479 5.922 0.702
42 HD12 LEU 5 2HD1 LEU 5 2.180 7.446 1.537
43 HD13 LEU 5 3HD1 LEU 5 2.764 7.453 -0.127
44 HD21 LEU 5 3HD2 LEU 5 -0.845 8.290 0.669
45 HD22 LEU 5 1HD2 LEU 5 -0.050 8.707 -0.849
46 HD23 LEU 5 2HD2 LEU 5 0.777 8.984 0.684
47 H ARG 6 H ARG 6 -0.597 5.841 -4.350
48 HA ARG 6 HA ARG 6 -1.153 8.477 -5.042
49 HB2 ARG 6 2HB ARG 6 -0.269 6.516 -6.486
50 HB3 ARG 6 3HB ARG 6 -1.967 6.170 -6.786
51 HG2 ARG 6 2HG ARG 6 -2.225 7.938 -8.152
52 HG3 ARG 6 3HG ARG 6 -1.147 8.964 -7.204
53 HD2 ARG 6 2HD ARG 6 -0.087 6.681 -8.833
54 HD3 ARG 6 3HD ARG 6 -0.410 8.251 -9.568
55 HE ARG 6 HE ARG 6 1.137 8.737 -7.329
56 HH11 ARG 6 1HH1 ARG 6 1.441 6.989 -10.324
57 HH12 ARG 6 2HH1 ARG 6 3.158 7.199 -10.423
58 HH21 ARG 6 1HH2 ARG 6 3.397 9.020 -7.448
59 HH22 ARG 6 2HH2 ARG 6 4.270 8.353 -8.786
60 H HIS 7 H HIS 7 -3.308 5.826 -4.302
61 HA HIS 7 HA HIS 7 -5.672 7.114 -5.284
62 HB2 HIS 7 2HB HIS 7 -5.148 4.679 -3.600
63 HB3 HIS 7 3HB HIS 7 -6.786 5.288 -3.819
64 HD1 HIS 7 HD1 HIS 7 -3.903 3.875 -5.807
65 HD2 HIS 7 HD2 HIS 7 -7.971 4.619 -6.204
66 HE1 HIS 7 HE1 HIS 7 -4.581 2.771 -7.963
67 H ALA 8 H ALA 8 -3.801 7.337 -2.433
68 HA ALA 8 HA ALA 8 -5.896 8.195 -0.676
69 HB1 ALA 8 1HB ALA 8 -4.167 8.654 0.907
70 HB2 ALA 8 2HB ALA 8 -3.758 7.149 0.082
71 HB3 ALA 8 3HB ALA 8 -2.935 8.647 -0.355
72 H PHE 9 H PHE 9 -3.911 9.705 -3.056
73 HA PHE 9 HA PHE 9 -3.966 12.357 -2.092
74 HB2 PHE 9 2HB PHE 9 -2.798 11.068 -4.229
75 HB3 PHE 9 3HB PHE 9 -3.997 12.094 -5.010
76 HD1 PHE 9 HD1 PHE 9 -1.687 12.508 -2.105
77 HD2 PHE 9 HD2 PHE 9 -3.071 14.015 -5.837
78 HE1 PHE 9 HE1 PHE 9 -0.173 14.435 -1.885
79 HE2 PHE 9 HE2 PHE 9 -1.559 15.943 -5.623
80 HZ PHE 9 HZ PHE 9 -0.107 16.155 -3.646
81 H ARG 10 H ARG 10 -6.305 10.401 -3.737
82 HA ARG 10 HA ARG 10 -7.935 12.539 -4.695
83 HB2 ARG 10 2HB ARG 10 -8.401 9.590 -4.297
84 HB3 ARG 10 3HB ARG 10 -9.679 10.665 -4.849
85 HG2 ARG 10 2HG ARG 10 -7.182 10.918 -6.349
86 HG3 ARG 10 3HG ARG 10 -7.940 9.328 -6.461
87 HD2 ARG 10 2HD ARG 10 -9.632 10.100 -7.710
88 HD3 ARG 10 3HD ARG 10 -9.823 11.545 -6.719
89 HE ARG 10 HE ARG 10 -7.491 11.716 -8.324
90 HH11 ARG 10 1HH1 ARG 10 -10.961 11.958 -8.458
91 HH12 ARG 10 2HH1 ARG 10 -10.964 13.034 -9.817
92 HH21 ARG 10 1HH2 ARG 10 -7.481 13.131 -10.113
93 HH22 ARG 10 2HH2 ARG 10 -8.984 13.699 -10.758
94 H SEP 11 H SEP 11 -7.613 10.822 -1.662
95 HA SEP 11 HA SEP 11 -10.214 11.443 -0.613
96 HB2 SEP 11 2HB SEP 11 -8.913 9.663 0.492
97 HB3 SEP 11 3HB SEP 11 -7.542 10.707 0.770
98 H MET 12 H MET 12 -7.200 13.188 -0.744
99 HA MET 12 HA MET 12 -8.004 15.341 0.935
100 HB2 MET 12 2HB MET 12 -5.687 14.623 -0.659
101 HB3 MET 12 3HB MET 12 -6.065 16.334 -0.809
102 HG2 MET 12 2HG MET 12 -6.269 16.035 1.857
103 HG3 MET 12 3HG MET 12 -5.058 14.809 1.493
104 HE1 MET 12 3HE MET 12 -3.111 17.729 3.008
105 HE2 MET 12 1HE MET 12 -4.748 18.379 2.928
106 HE3 MET 12 2HE MET 12 -4.490 16.699 3.397
107 H PHE 13 H PHE 13 -8.497 14.558 -2.401
108 HA PHE 13 HA PHE 13 -9.081 17.180 -3.330
109 HB2 PHE 13 2HB PHE 13 -9.206 14.449 -4.384
110 HB3 PHE 13 3HB PHE 13 -10.482 15.495 -4.999
111 HD1 PHE 13 HD2 PHE 13 -6.859 15.953 -4.215
112 HD2 PHE 13 HD1 PHE 13 -9.991 16.323 -7.073
113 HE1 PHE 13 HE2 PHE 13 -5.273 16.933 -5.821
114 HE2 PHE 13 HE1 PHE 13 -8.410 17.302 -8.684
115 HZ PHE 13 HZ PHE 13 -6.048 17.609 -8.059
116 HA PRO 14 HA PRO 14 -13.237 17.784 -2.045
117 HB2 PRO 14 2HB PRO 14 -14.337 19.032 -4.185
118 HB3 PRO 14 3HB PRO 14 -13.147 19.807 -3.134
119 HG2 PRO 14 2HG PRO 14 -12.775 18.552 -5.817
120 HG3 PRO 14 3HG PRO 14 -12.034 20.019 -5.150
121 HD2 PRO 14 2HD PRO 14 -10.784 17.604 -5.313
122 HD3 PRO 14 3HD PRO 14 -10.376 18.857 -4.124
123 H SER 15 H SER 15 -12.611 15.864 -4.831
124 HA SER 15 HA SER 15 -15.287 15.138 -5.456
125 HB2 SER 15 2HB SER 15 -12.752 13.582 -6.015
126 HB3 SER 15 3HB SER 15 -14.302 13.395 -6.834
127 HG SER 15 HG SER 15 -12.357 15.351 -7.126
128 H SER 16 H SER 16 -12.983 14.067 -3.102
129 HA SER 16 HA SER 16 -14.455 11.632 -2.509
130 HB2 SER 16 2HB SER 16 -11.808 12.714 -1.872
131 HB3 SER 16 3HB SER 16 -12.585 11.920 -0.503
132 HG SER 16 HG SER 16 -11.273 10.649 -2.174
133 H GLU 17 H GLU 17 -13.995 14.852 -1.219
134 HA GLU 17 HA GLU 17 -15.448 14.252 1.218
135 HB2 GLU 17 2HB GLU 17 -14.506 16.932 0.187
136 HB3 GLU 17 3HB GLU 17 -15.035 16.561 1.822
137 HG2 GLU 17 2HG GLU 17 -12.969 14.759 1.262
138 HG3 GLU 17 3HG GLU 17 -12.431 16.322 0.651
Start of MODEL 16
1 H1 ARG 1 H ARG 1 5.469 0.612 -1.298
2 HA ARG 1 HA ARG 1 3.487 0.201 -2.587
3 HB2 ARG 1 2HB ARG 1 2.430 0.034 0.106
4 HB3 ARG 1 3HB ARG 1 1.407 1.036 -0.915
5 HG2 ARG 1 2HG ARG 1 0.465 -0.860 -1.586
6 HG3 ARG 1 3HG ARG 1 1.942 -1.141 -2.510
7 HD2 ARG 1 2HD ARG 1 2.806 -2.121 -0.238
8 HD3 ARG 1 3HD ARG 1 1.086 -2.291 0.106
9 HE ARG 1 HE ARG 1 1.431 -3.394 -2.379
10 HH11 ARG 1 1HH1 ARG 1 2.754 -3.931 0.797
11 HH12 ARG 1 2HH1 ARG 1 3.022 -5.624 0.541
12 HH21 ARG 1 1HH2 ARG 1 1.779 -5.622 -2.727
13 HH22 ARG 1 2HH2 ARG 1 2.468 -6.584 -1.464
14 H SER 2 H SER 2 4.279 2.000 -3.682
15 HA SER 2 HA SER 2 3.678 4.657 -2.666
16 HB2 SER 2 2HB SER 2 4.683 4.858 -5.289
17 HB3 SER 2 3HB SER 2 5.562 5.128 -3.785
18 HG SER 2 HG SER 2 6.460 3.503 -5.248
19 H LYS 3 H LYS 3 2.533 2.407 -5.071
20 HA LYS 3 HA LYS 3 0.926 4.286 -6.507
21 HB2 LYS 3 2HB LYS 3 0.986 1.272 -6.414
22 HB3 LYS 3 3HB LYS 3 -0.159 2.163 -7.408
23 HG2 LYS 3 2HG LYS 3 1.795 3.276 -8.506
24 HG3 LYS 3 3HG LYS 3 2.841 2.159 -7.626
25 HD2 LYS 3 2HD LYS 3 0.657 0.810 -8.998
26 HD3 LYS 3 3HD LYS 3 1.695 1.717 -10.100
27 HE2 LYS 3 2HE LYS 3 3.484 0.376 -9.730
28 HE3 LYS 3 3HE LYS 3 3.060 0.095 -8.042
29 HZ1 LYS 3 3HZ LYS 3 1.191 -1.321 -8.949
30 HZ2 LYS 3 1HZ LYS 3 2.754 -1.945 -9.117
31 HZ3 LYS 3 2HZ LYS 3 1.975 -1.246 -10.446
32 H ASP 4 H ASP 4 0.476 2.260 -3.709
33 HA ASP 4 HA ASP 4 -2.367 2.371 -3.650
34 HB2 ASP 4 2HB ASP 4 -0.299 1.151 -2.123
35 HB3 ASP 4 3HB ASP 4 -1.310 2.071 -1.013
36 H LEU 5 H LEU 5 0.188 4.434 -2.453
37 HA LEU 5 HA LEU 5 -1.498 6.012 -0.761
38 HB2 LEU 5 2HB LEU 5 1.261 6.460 -1.878
39 HB3 LEU 5 3HB LEU 5 0.460 7.591 -0.789
40 HG LEU 5 HG LEU 5 1.086 4.726 -0.086
41 HD11 LEU 5 1HD1 LEU 5 3.118 5.309 0.672
42 HD12 LEU 5 2HD1 LEU 5 2.580 6.902 1.204
43 HD13 LEU 5 3HD1 LEU 5 2.970 6.625 -0.494
44 HD21 LEU 5 3HD2 LEU 5 -0.700 6.457 1.062
45 HD22 LEU 5 1HD2 LEU 5 0.755 6.714 2.026
46 HD23 LEU 5 2HD2 LEU 5 0.073 5.094 1.873
47 H ARG 6 H ARG 6 -0.599 6.059 -4.115
48 HA ARG 6 HA ARG 6 -1.107 8.711 -4.781
49 HB2 ARG 6 2HB ARG 6 -0.108 7.185 -6.371
50 HB3 ARG 6 3HB ARG 6 -1.562 6.197 -6.393
51 HG2 ARG 6 2HG ARG 6 -2.711 7.666 -7.714
52 HG3 ARG 6 3HG ARG 6 -1.784 9.060 -7.158
53 HD2 ARG 6 2HD ARG 6 0.152 8.284 -8.429
54 HD3 ARG 6 3HD ARG 6 -0.761 6.876 -8.969
55 HE ARG 6 HE ARG 6 -0.931 9.550 -10.000
56 HH11 ARG 6 1HH1 ARG 6 -2.620 6.532 -9.595
57 HH12 ARG 6 2HH1 ARG 6 -3.682 6.797 -10.938
58 HH21 ARG 6 1HH2 ARG 6 -2.324 9.909 -11.770
59 HH22 ARG 6 2HH2 ARG 6 -3.513 8.718 -12.175
60 H HIS 7 H HIS 7 -3.310 6.073 -4.147
61 HA HIS 7 HA HIS 7 -5.631 7.401 -5.176
62 HB2 HIS 7 2HB HIS 7 -5.090 4.818 -4.587
63 HB3 HIS 7 3HB HIS 7 -5.979 5.282 -3.139
64 HD1 HIS 7 HD1 HIS 7 -6.815 3.412 -5.739
65 HD2 HIS 7 HD2 HIS 7 -8.285 7.128 -4.601
66 HE1 HIS 7 HE1 HIS 7 -9.095 3.583 -6.786
67 H ALA 8 H ALA 8 -3.842 7.560 -2.269
68 HA ALA 8 HA ALA 8 -5.978 8.413 -0.560
69 HB1 ALA 8 1HB ALA 8 -4.474 8.058 1.032
70 HB2 ALA 8 2HB ALA 8 -3.305 7.634 -0.220
71 HB3 ALA 8 3HB ALA 8 -3.410 9.295 0.363
72 H PHE 9 H PHE 9 -3.909 9.938 -2.857
73 HA PHE 9 HA PHE 9 -3.950 12.573 -1.859
74 HB2 PHE 9 2HB PHE 9 -3.162 11.232 -4.327
75 HB3 PHE 9 3HB PHE 9 -3.834 12.833 -4.617
76 HD1 PHE 9 HD1 PHE 9 -1.105 10.945 -3.085
77 HD2 PHE 9 HD2 PHE 9 -2.708 14.817 -3.833
78 HE1 PHE 9 HE1 PHE 9 1.050 11.955 -2.458
79 HE2 PHE 9 HE2 PHE 9 -0.556 15.832 -3.208
80 HZ PHE 9 HZ PHE 9 1.327 14.401 -2.521
81 H ARG 10 H ARG 10 -6.293 10.680 -3.568
82 HA ARG 10 HA ARG 10 -7.877 12.849 -4.524
83 HB2 ARG 10 2HB ARG 10 -8.793 10.023 -3.983
84 HB3 ARG 10 3HB ARG 10 -9.519 11.187 -5.083
85 HG2 ARG 10 2HG ARG 10 -7.307 11.131 -6.342
86 HG3 ARG 10 3HG ARG 10 -6.936 9.697 -5.382
87 HD2 ARG 10 2HD ARG 10 -8.200 8.426 -6.695
88 HD3 ARG 10 3HD ARG 10 -9.584 9.496 -6.470
89 HE ARG 10 HE ARG 10 -9.134 10.462 -8.503
90 HH11 ARG 10 1HH1 ARG 10 -6.426 8.509 -7.518
91 HH12 ARG 10 2HH1 ARG 10 -5.617 8.628 -9.046
92 HH21 ARG 10 1HH2 ARG 10 -8.079 10.626 -10.519
93 HH22 ARG 10 2HH2 ARG 10 -6.558 9.833 -10.752
94 H SEP 11 H SEP 11 -7.618 11.117 -1.494
95 HA SEP 11 HA SEP 11 -10.217 11.772 -0.469
96 HB2 SEP 11 2HB SEP 11 -9.270 10.100 0.895
97 HB3 SEP 11 3HB SEP 11 -7.636 10.677 0.681
98 H MET 12 H MET 12 -7.184 13.485 -0.574
99 HA MET 12 HA MET 12 -7.998 15.652 1.089
100 HB2 MET 12 2HB MET 12 -5.624 14.824 -0.216
101 HB3 MET 12 3HB MET 12 -5.975 16.454 -0.773
102 HG2 MET 12 2HG MET 12 -5.238 17.311 1.123
103 HG3 MET 12 3HG MET 12 -6.357 16.318 2.053
104 HE1 MET 12 3HE MET 12 -3.164 16.816 0.382
105 HE2 MET 12 1HE MET 12 -2.340 16.829 1.941
106 HE3 MET 12 2HE MET 12 -2.092 15.486 0.825
107 H PHE 13 H PHE 13 -8.410 14.861 -2.255
108 HA PHE 13 HA PHE 13 -8.966 17.508 -3.171
109 HB2 PHE 13 2HB PHE 13 -9.043 14.782 -4.292
110 HB3 PHE 13 3HB PHE 13 -10.204 15.905 -4.992
111 HD1 PHE 13 HD2 PHE 13 -6.617 15.954 -3.948
112 HD2 PHE 13 HD1 PHE 13 -9.518 16.974 -6.891
113 HE1 PHE 13 HE2 PHE 13 -4.842 16.897 -5.366
114 HE2 PHE 13 HE1 PHE 13 -7.747 17.918 -8.314
115 HZ PHE 13 HZ PHE 13 -5.405 17.881 -7.552
116 HA PRO 14 HA PRO 14 -13.204 17.962 -2.110
117 HB2 PRO 14 2HB PRO 14 -14.203 19.275 -4.261
118 HB3 PRO 14 3HB PRO 14 -13.097 20.031 -3.108
119 HG2 PRO 14 2HG PRO 14 -12.546 18.934 -5.821
120 HG3 PRO 14 3HG PRO 14 -11.841 20.346 -5.014
121 HD2 PRO 14 2HD PRO 14 -10.591 17.942 -5.251
122 HD3 PRO 14 3HD PRO 14 -10.235 19.153 -4.003
123 H SER 15 H SER 15 -12.374 16.185 -4.940
124 HA SER 15 HA SER 15 -14.994 15.426 -5.743
125 HB2 SER 15 2HB SER 15 -12.220 14.587 -6.398
126 HB3 SER 15 3HB SER 15 -13.500 13.418 -6.726
127 HG SER 15 HG SER 15 -13.990 14.556 -8.408
128 H SER 16 H SER 16 -12.791 14.300 -3.318
129 HA SER 16 HA SER 16 -14.115 11.763 -2.942
130 HB2 SER 16 2HB SER 16 -12.593 11.561 -0.973
131 HB3 SER 16 3HB SER 16 -11.739 11.889 -2.481
132 HG SER 16 HG SER 16 -11.567 13.246 -0.262
133 H GLU 17 H GLU 17 -14.261 14.973 -1.592
134 HA GLU 17 HA GLU 17 -15.937 14.127 0.627
135 HB2 GLU 17 2HB GLU 17 -14.273 16.376 0.066
136 HB3 GLU 17 3HB GLU 17 -15.905 16.960 0.358
137 HG2 GLU 17 2HG GLU 17 -14.845 16.984 2.444
138 HG3 GLU 17 3HG GLU 17 -15.889 15.563 2.463
Start of MODEL 17
1 H1 ARG 1 H ARG 1 1.435 0.241 0.815
2 HA ARG 1 HA ARG 1 4.014 0.355 -0.475
3 HB2 ARG 1 2HB ARG 1 1.580 -0.912 -1.008
4 HB3 ARG 1 3HB ARG 1 1.756 0.280 -2.289
5 HG2 ARG 1 2HG ARG 1 3.403 -0.857 -3.283
6 HG3 ARG 1 3HG ARG 1 4.186 -1.252 -1.751
7 HD2 ARG 1 2HD ARG 1 2.866 -3.143 -1.425
8 HD3 ARG 1 3HD ARG 1 1.634 -2.594 -2.561
9 HE ARG 1 HE ARG 1 3.993 -4.093 -3.171
10 HH11 ARG 1 1HH1 ARG 1 1.708 -1.785 -4.425
11 HH12 ARG 1 2HH1 ARG 1 1.978 -2.221 -6.080
12 HH21 ARG 1 1HH2 ARG 1 4.357 -4.676 -5.346
13 HH22 ARG 1 2HH2 ARG 1 3.484 -3.866 -6.602
14 H SER 2 H SER 2 4.245 1.631 -2.534
15 HA SER 2 HA SER 2 3.656 4.397 -1.962
16 HB2 SER 2 2HB SER 2 4.895 4.617 -4.284
17 HB3 SER 2 3HB SER 2 5.795 4.220 -2.821
18 HG SER 2 HG SER 2 4.969 2.504 -4.906
19 H LYS 3 H LYS 3 2.459 1.904 -4.056
20 HA LYS 3 HA LYS 3 1.050 3.693 -5.819
21 HB2 LYS 3 2HB LYS 3 1.899 1.142 -6.091
22 HB3 LYS 3 3HB LYS 3 0.221 0.856 -5.652
23 HG2 LYS 3 2HG LYS 3 -0.576 1.677 -7.601
24 HG3 LYS 3 3HG LYS 3 0.710 2.877 -7.750
25 HD2 LYS 3 2HD LYS 3 1.927 0.338 -7.946
26 HD3 LYS 3 3HD LYS 3 0.495 0.301 -8.977
27 HE2 LYS 3 2HE LYS 3 1.277 2.466 -9.974
28 HE3 LYS 3 3HE LYS 3 2.779 2.265 -9.073
29 HZ1 LYS 3 3HZ LYS 3 3.105 1.431 -11.261
30 HZ2 LYS 3 1HZ LYS 3 1.708 0.479 -11.187
31 HZ3 LYS 3 2HZ LYS 3 3.045 0.097 -10.223
32 H ASP 4 H ASP 4 0.404 2.035 -2.843
33 HA ASP 4 HA ASP 4 -2.444 2.185 -2.981
34 HB2 ASP 4 2HB ASP 4 -0.545 1.005 -1.270
35 HB3 ASP 4 3HB ASP 4 -1.459 2.131 -0.271
36 H LEU 5 H LEU 5 0.096 4.306 -1.873
37 HA LEU 5 HA LEU 5 -1.622 6.077 -0.422
38 HB2 LEU 5 2HB LEU 5 1.191 5.803 -0.949
39 HB3 LEU 5 3HB LEU 5 0.685 7.472 -1.199
40 HG LEU 5 HG LEU 5 1.555 7.010 1.079
41 HD11 LEU 5 1HD1 LEU 5 0.324 8.827 1.440
42 HD12 LEU 5 2HD1 LEU 5 -0.923 7.745 2.059
43 HD13 LEU 5 3HD1 LEU 5 -0.963 8.262 0.373
44 HD21 LEU 5 3HD2 LEU 5 0.116 5.764 2.639
45 HD22 LEU 5 1HD2 LEU 5 0.760 4.738 1.356
46 HD23 LEU 5 2HD2 LEU 5 -0.915 5.289 1.287
47 H ARG 6 H ARG 6 -0.587 5.768 -3.722
48 HA ARG 6 HA ARG 6 -1.007 8.348 -4.672
49 HB2 ARG 6 2HB ARG 6 -0.319 5.945 -5.795
50 HB3 ARG 6 3HB ARG 6 -1.917 6.217 -6.477
51 HG2 ARG 6 2HG ARG 6 -0.646 7.257 -8.047
52 HG3 ARG 6 3HG ARG 6 -0.926 8.613 -6.954
53 HD2 ARG 6 2HD ARG 6 1.249 8.799 -6.523
54 HD3 ARG 6 3HD ARG 6 1.369 7.087 -6.120
55 HE ARG 6 HE ARG 6 1.264 7.507 -8.935
56 HH11 ARG 6 1HH1 ARG 6 3.372 7.632 -6.168
57 HH12 ARG 6 2HH1 ARG 6 4.814 7.357 -7.090
58 HH21 ARG 6 1HH2 ARG 6 3.154 7.145 -10.160
59 HH22 ARG 6 2HH2 ARG 6 4.688 7.081 -9.360
60 H HIS 7 H HIS 7 -3.293 5.828 -3.870
61 HA HIS 7 HA HIS 7 -5.540 7.087 -5.125
62 HB2 HIS 7 2HB HIS 7 -5.003 4.585 -3.937
63 HB3 HIS 7 3HB HIS 7 -6.311 5.303 -3.002
64 HD1 HIS 7 HD1 HIS 7 -8.602 5.237 -4.014
65 HD2 HIS 7 HD2 HIS 7 -5.624 4.297 -6.755
66 HE1 HIS 7 HE1 HIS 7 -9.809 4.458 -6.079
67 H ALA 8 H ALA 8 -3.867 7.507 -2.175
68 HA ALA 8 HA ALA 8 -6.051 8.567 -0.653
69 HB1 ALA 8 1HB ALA 8 -3.080 8.841 -0.206
70 HB2 ALA 8 2HB ALA 8 -4.347 9.221 0.961
71 HB3 ALA 8 3HB ALA 8 -4.106 7.556 0.433
72 H PHE 9 H PHE 9 -3.856 9.814 -3.002
73 HA PHE 9 HA PHE 9 -3.854 12.532 -2.284
74 HB2 PHE 9 2HB PHE 9 -3.136 10.941 -4.648
75 HB3 PHE 9 3HB PHE 9 -3.645 12.586 -5.015
76 HD1 PHE 9 HD2 PHE 9 -2.583 14.347 -3.218
77 HD2 PHE 9 HD1 PHE 9 -0.882 10.646 -4.450
78 HE1 PHE 9 HE2 PHE 9 -0.348 15.175 -2.606
79 HE2 PHE 9 HE1 PHE 9 1.356 11.467 -3.840
80 HZ PHE 9 HZ PHE 9 1.625 13.735 -2.918
81 H ARG 10 H ARG 10 -6.208 10.545 -3.885
82 HA ARG 10 HA ARG 10 -7.721 12.696 -5.013
83 HB2 ARG 10 2HB ARG 10 -7.670 10.149 -5.639
84 HB3 ARG 10 3HB ARG 10 -8.911 10.018 -4.401
85 HG2 ARG 10 2HG ARG 10 -9.607 12.191 -6.071
86 HG3 ARG 10 3HG ARG 10 -9.172 10.831 -7.109
87 HD2 ARG 10 2HD ARG 10 -10.932 10.315 -4.768
88 HD3 ARG 10 3HD ARG 10 -11.624 11.138 -6.165
89 HE ARG 10 HE ARG 10 -10.213 8.839 -6.997
90 HH11 ARG 10 1HH1 ARG 10 -13.143 9.801 -5.382
91 HH12 ARG 10 2HH1 ARG 10 -14.028 8.393 -5.868
92 HH21 ARG 10 1HH2 ARG 10 -11.367 6.981 -7.644
93 HH22 ARG 10 2HH2 ARG 10 -13.016 6.789 -7.154
94 H SEP 11 H SEP 11 -7.594 11.067 -1.918
95 HA SEP 11 HA SEP 11 -10.231 11.854 -1.039
96 HB2 SEP 11 2HB SEP 11 -8.400 10.054 -0.030
97 HB3 SEP 11 3HB SEP 11 -8.014 11.388 1.026
98 H MET 12 H MET 12 -7.083 13.347 -0.978
99 HA MET 12 HA MET 12 -7.763 15.542 0.681
100 HB2 MET 12 2HB MET 12 -5.630 15.468 -1.456
101 HB3 MET 12 3HB MET 12 -5.692 16.530 -0.056
102 HG2 MET 12 2HG MET 12 -5.779 14.044 1.085
103 HG3 MET 12 3HG MET 12 -4.714 13.798 -0.297
104 HE1 MET 12 3HE MET 12 -5.094 14.257 2.971
105 HE2 MET 12 1HE MET 12 -3.402 14.374 3.456
106 HE3 MET 12 2HE MET 12 -4.437 15.800 3.518
107 H PHE 13 H PHE 13 -8.274 14.837 -2.668
108 HA PHE 13 HA PHE 13 -8.653 17.506 -3.571
109 HB2 PHE 13 2HB PHE 13 -8.984 14.801 -4.658
110 HB3 PHE 13 3HB PHE 13 -10.151 15.962 -5.282
111 HD1 PHE 13 HD2 PHE 13 -6.513 16.064 -4.440
112 HD2 PHE 13 HD1 PHE 13 -9.555 16.793 -7.326
113 HE1 PHE 13 HE2 PHE 13 -4.818 16.918 -6.005
114 HE2 PHE 13 HE1 PHE 13 -7.865 17.648 -8.897
115 HZ PHE 13 HZ PHE 13 -5.493 17.712 -8.237
116 HA PRO 14 HA PRO 14 -12.769 18.392 -2.320
117 HB2 PRO 14 2HB PRO 14 -13.741 19.759 -4.452
118 HB3 PRO 14 3HB PRO 14 -12.517 20.424 -3.364
119 HG2 PRO 14 2HG PRO 14 -12.195 19.228 -6.074
120 HG3 PRO 14 3HG PRO 14 -11.333 20.590 -5.336
121 HD2 PRO 14 2HD PRO 14 -10.305 18.078 -5.570
122 HD3 PRO 14 3HD PRO 14 -9.806 19.277 -4.359
123 H SER 15 H SER 15 -12.250 16.478 -5.129
124 HA SER 15 HA SER 15 -14.963 15.973 -5.810
125 HB2 SER 15 2HB SER 15 -14.106 14.707 -7.487
126 HB3 SER 15 3HB SER 15 -12.579 15.455 -7.019
127 HG SER 15 HG SER 15 -12.318 13.228 -7.085
128 H SER 16 H SER 16 -12.791 14.690 -3.435
129 HA SER 16 HA SER 16 -14.354 12.315 -2.934
130 HB2 SER 16 2HB SER 16 -11.771 12.757 -2.556
131 HB3 SER 16 3HB SER 16 -12.328 13.327 -0.982
132 HG SER 16 HG SER 16 -12.967 10.794 -2.093
133 H GLU 17 H GLU 17 -14.035 15.537 -1.605
134 HA GLU 17 HA GLU 17 -15.774 14.912 0.643
135 HB2 GLU 17 2HB GLU 17 -15.276 17.081 1.466
136 HB3 GLU 17 3HB GLU 17 -13.769 16.442 0.825
137 HG2 GLU 17 2HG GLU 17 -13.561 18.276 -0.386
138 HG3 GLU 17 3HG GLU 17 -14.988 17.793 -1.301
Start of MODEL 18
1 H1 ARG 1 H ARG 1 1.202 -0.075 0.624
2 HA ARG 1 HA ARG 1 3.251 -0.291 -0.661
3 HB2 ARG 1 2HB ARG 1 1.620 -1.848 -2.237
4 HB3 ARG 1 3HB ARG 1 1.880 -0.431 -3.246
5 HG2 ARG 1 2HG ARG 1 4.201 -0.759 -3.301
6 HG3 ARG 1 3HG ARG 1 4.154 -1.895 -1.951
7 HD2 ARG 1 2HD ARG 1 2.539 -3.171 -3.673
8 HD3 ARG 1 3HD ARG 1 3.572 -2.317 -4.818
9 HE ARG 1 HE ARG 1 4.285 -4.562 -3.215
10 HH11 ARG 1 1HH1 ARG 1 5.529 -1.655 -4.670
11 HH12 ARG 1 2HH1 ARG 1 7.156 -2.244 -4.769
12 HH21 ARG 1 1HH2 ARG 1 6.423 -5.350 -3.340
13 HH22 ARG 1 2HH2 ARG 1 7.662 -4.347 -4.013
14 H SER 2 H SER 2 3.693 1.102 -2.910
15 HA SER 2 HA SER 2 3.055 3.773 -2.122
16 HB2 SER 2 2HB SER 2 4.989 2.525 -3.766
17 HB3 SER 2 3HB SER 2 4.113 3.661 -4.793
18 HG SER 2 HG SER 2 5.993 4.470 -3.529
19 H LYS 3 H LYS 3 1.753 1.499 -4.396
20 HA LYS 3 HA LYS 3 0.322 3.409 -5.975
21 HB2 LYS 3 2HB LYS 3 -0.079 0.426 -5.678
22 HB3 LYS 3 3HB LYS 3 -0.828 1.435 -6.909
23 HG2 LYS 3 2HG LYS 3 1.140 1.715 -8.070
24 HG3 LYS 3 3HG LYS 3 2.144 1.379 -6.658
25 HD2 LYS 3 2HD LYS 3 2.058 -0.862 -6.966
26 HD3 LYS 3 3HD LYS 3 0.397 -0.823 -7.563
27 HE2 LYS 3 2HE LYS 3 1.054 -0.332 -9.731
28 HE3 LYS 3 3HE LYS 3 2.617 0.304 -9.221
29 HZ1 LYS 3 3HZ LYS 3 2.498 -2.372 -8.447
30 HZ2 LYS 3 1HZ LYS 3 3.491 -1.672 -9.625
31 HZ3 LYS 3 2HZ LYS 3 1.981 -2.299 -10.057
32 H ASP 4 H ASP 4 -0.297 1.642 -3.045
33 HA ASP 4 HA ASP 4 -3.126 1.978 -3.030
34 HB2 ASP 4 2HB ASP 4 -1.188 0.671 -1.421
35 HB3 ASP 4 3HB ASP 4 -2.089 1.760 -0.369
36 H LEU 5 H LEU 5 -0.415 3.900 -1.958
37 HA LEU 5 HA LEU 5 -1.962 5.713 -0.372
38 HB2 LEU 5 2HB LEU 5 0.640 5.158 -0.451
39 HB3 LEU 5 3HB LEU 5 0.636 6.549 -1.534
40 HG LEU 5 HG LEU 5 -0.534 7.808 0.346
41 HD11 LEU 5 1HD1 LEU 5 -1.273 6.057 1.749
42 HD12 LEU 5 2HD1 LEU 5 0.026 6.871 2.621
43 HD13 LEU 5 3HD1 LEU 5 0.334 5.332 1.816
44 HD21 LEU 5 3HD2 LEU 5 1.990 7.762 -0.350
45 HD22 LEU 5 1HD2 LEU 5 2.191 6.951 1.204
46 HD23 LEU 5 2HD2 LEU 5 1.485 8.567 1.137
47 H ARG 6 H ARG 6 -1.078 5.472 -3.722
48 HA ARG 6 HA ARG 6 -1.378 8.108 -4.557
49 HB2 ARG 6 2HB ARG 6 -1.879 5.480 -5.934
50 HB3 ARG 6 3HB ARG 6 -2.135 7.011 -6.760
51 HG2 ARG 6 2HG ARG 6 0.415 7.130 -5.554
52 HG3 ARG 6 3HG ARG 6 0.285 5.571 -6.369
53 HD2 ARG 6 2HD ARG 6 0.148 6.508 -8.435
54 HD3 ARG 6 3HD ARG 6 -0.689 7.944 -7.846
55 HE ARG 6 HE ARG 6 1.939 7.983 -6.881
56 HH11 ARG 6 1HH1 ARG 6 0.205 8.250 -9.888
57 HH12 ARG 6 2HH1 ARG 6 1.398 9.260 -10.636
58 HH21 ARG 6 1HH2 ARG 6 3.516 9.313 -7.855
59 HH22 ARG 6 2HH2 ARG 6 3.281 9.863 -9.479
60 H HIS 7 H HIS 7 -3.779 5.699 -3.756
61 HA HIS 7 HA HIS 7 -5.993 7.138 -4.869
62 HB2 HIS 7 2HB HIS 7 -5.672 4.567 -4.150
63 HB3 HIS 7 3HB HIS 7 -6.463 5.171 -2.697
64 HD1 HIS 7 HD1 HIS 7 -7.086 5.510 -6.446
65 HD2 HIS 7 HD2 HIS 7 -9.131 4.870 -2.887
66 HE1 HIS 7 HE1 HIS 7 -9.501 5.249 -7.096
67 H ALA 8 H ALA 8 -4.183 7.341 -1.977
68 HA ALA 8 HA ALA 8 -6.237 8.468 -0.327
69 HB1 ALA 8 1HB ALA 8 -4.757 7.997 1.253
70 HB2 ALA 8 2HB ALA 8 -3.566 7.574 0.022
71 HB3 ALA 8 3HB ALA 8 -3.673 9.232 0.611
72 H PHE 9 H PHE 9 -4.065 9.674 -2.718
73 HA PHE 9 HA PHE 9 -3.914 12.368 -1.884
74 HB2 PHE 9 2HB PHE 9 -2.824 10.861 -3.936
75 HB3 PHE 9 3HB PHE 9 -3.872 11.997 -4.779
76 HD1 PHE 9 HD1 PHE 9 -1.476 12.096 -1.915
77 HD2 PHE 9 HD2 PHE 9 -2.844 13.898 -5.520
78 HE1 PHE 9 HE1 PHE 9 0.246 13.839 -1.693
79 HE2 PHE 9 HE2 PHE 9 -1.124 15.644 -5.304
80 HZ PHE 9 HZ PHE 9 0.425 15.616 -3.389
81 H ARG 10 H ARG 10 -6.363 10.538 -3.511
82 HA ARG 10 HA ARG 10 -7.769 12.767 -4.617
83 HB2 ARG 10 2HB ARG 10 -7.967 9.927 -4.702
84 HB3 ARG 10 3HB ARG 10 -9.525 10.563 -4.191
85 HG2 ARG 10 2HG ARG 10 -9.271 12.170 -6.193
86 HG3 ARG 10 3HG ARG 10 -8.048 11.025 -6.748
87 HD2 ARG 10 2HD ARG 10 -9.582 9.331 -7.057
88 HD3 ARG 10 3HD ARG 10 -10.723 10.013 -5.899
89 HE ARG 10 HE ARG 10 -10.413 11.722 -8.141
90 HH11 ARG 10 1HH1 ARG 10 -11.909 8.748 -7.124
91 HH12 ARG 10 2HH1 ARG 10 -13.197 8.850 -8.278
92 HH21 ARG 10 1HH2 ARG 10 -12.104 11.867 -9.665
93 HH22 ARG 10 2HH2 ARG 10 -13.307 10.624 -9.723
94 H SEP 11 H SEP 11 -7.692 11.150 -1.517
95 HA SEP 11 HA SEP 11 -10.273 12.014 -0.593
96 HB2 SEP 11 2HB SEP 11 -9.043 10.150 0.558
97 HB3 SEP 11 3HB SEP 11 -7.735 11.214 1.009
98 H MET 12 H MET 12 -7.120 13.497 -0.660
99 HA MET 12 HA MET 12 -7.819 15.772 0.909
100 HB2 MET 12 2HB MET 12 -5.467 14.724 0.016
101 HB3 MET 12 3HB MET 12 -5.660 16.094 -1.070
102 HG2 MET 12 2HG MET 12 -5.066 17.529 0.507
103 HG3 MET 12 3HG MET 12 -6.219 16.848 1.652
104 HE1 MET 12 3HE MET 12 -4.343 17.980 3.021
105 HE2 MET 12 1HE MET 12 -4.603 16.617 4.110
106 HE3 MET 12 2HE MET 12 -2.964 17.085 3.660
107 H PHE 13 H PHE 13 -8.193 14.902 -2.420
108 HA PHE 13 HA PHE 13 -8.536 17.558 -3.423
109 HB2 PHE 13 2HB PHE 13 -8.700 14.819 -4.483
110 HB3 PHE 13 3HB PHE 13 -9.812 15.956 -5.239
111 HD1 PHE 13 HD2 PHE 13 -6.258 15.999 -4.087
112 HD2 PHE 13 HD1 PHE 13 -9.046 16.883 -7.180
113 HE1 PHE 13 HE2 PHE 13 -4.426 16.851 -5.490
114 HE2 PHE 13 HE1 PHE 13 -7.217 17.736 -8.588
115 HZ PHE 13 HZ PHE 13 -4.904 17.722 -7.743
116 HA PRO 14 HA PRO 14 -12.777 18.290 -2.542
117 HB2 PRO 14 2HB PRO 14 -13.606 19.608 -4.765
118 HB3 PRO 14 3HB PRO 14 -12.512 20.325 -3.576
119 HG2 PRO 14 2HG PRO 14 -11.905 19.146 -6.241
120 HG3 PRO 14 3HG PRO 14 -11.148 20.524 -5.421
121 HD2 PRO 14 2HD PRO 14 -10.044 18.035 -5.572
122 HD3 PRO 14 3HD PRO 14 -9.674 19.260 -4.341
123 H SER 15 H SER 15 -11.949 16.402 -5.300
124 HA SER 15 HA SER 15 -14.577 15.785 -6.191
125 HB2 SER 15 2HB SER 15 -13.403 13.831 -7.319
126 HB3 SER 15 3HB SER 15 -12.797 15.433 -7.737
127 HG SER 15 HG SER 15 -11.321 13.531 -6.988
128 H SER 16 H SER 16 -12.542 14.584 -3.657
129 HA SER 16 HA SER 16 -13.899 12.094 -3.290
130 HB2 SER 16 2HB SER 16 -11.746 13.592 -1.939
131 HB3 SER 16 3HB SER 16 -12.712 12.564 -0.881
132 HG SER 16 HG SER 16 -11.820 10.871 -1.747
133 H GLU 17 H GLU 17 -14.323 15.351 -2.122
134 HA GLU 17 HA GLU 17 -16.274 14.532 -0.126
135 HB2 GLU 17 2HB GLU 17 -15.183 17.228 -0.933
136 HB3 GLU 17 3HB GLU 17 -16.451 17.023 0.267
137 HG2 GLU 17 2HG GLU 17 -14.707 15.382 1.349
138 HG3 GLU 17 3HG GLU 17 -13.562 16.353 0.425
Start of MODEL 19
1 H1 ARG 1 H ARG 1 1.624 0.939 1.133
2 HA ARG 1 HA ARG 1 3.828 0.159 -0.655
3 HB2 ARG 1 2HB ARG 1 1.055 -0.613 -0.808
4 HB3 ARG 1 3HB ARG 1 1.497 0.333 -2.223
5 HG2 ARG 1 2HG ARG 1 2.579 -1.384 -3.107
6 HG3 ARG 1 3HG ARG 1 3.537 -1.603 -1.642
7 HD2 ARG 1 2HD ARG 1 1.858 -2.989 -0.664
8 HD3 ARG 1 3HD ARG 1 0.717 -2.610 -1.954
9 HE ARG 1 HE ARG 1 2.993 -3.775 -3.093
10 HH11 ARG 1 1HH1 ARG 1 0.325 -4.622 -1.023
11 HH12 ARG 1 2HH1 ARG 1 0.309 -6.286 -1.506
12 HH21 ARG 1 1HH2 ARG 1 2.981 -5.963 -3.738
13 HH22 ARG 1 2HH2 ARG 1 1.821 -7.048 -3.049
14 H SER 2 H SER 2 4.006 1.512 -2.595
15 HA SER 2 HA SER 2 3.531 4.299 -1.916
16 HB2 SER 2 2HB SER 2 4.830 3.710 -4.489
17 HB3 SER 2 3HB SER 2 5.353 4.764 -3.175
18 HG SER 2 HG SER 2 6.789 3.105 -3.209
19 H LYS 3 H LYS 3 2.417 1.884 -4.162
20 HA LYS 3 HA LYS 3 1.111 3.726 -5.932
21 HB2 LYS 3 2HB LYS 3 0.650 0.755 -5.618
22 HB3 LYS 3 3HB LYS 3 0.169 1.751 -6.986
23 HG2 LYS 3 2HG LYS 3 2.639 2.252 -7.296
24 HG3 LYS 3 3HG LYS 3 2.936 0.936 -6.158
25 HD2 LYS 3 2HD LYS 3 2.478 -0.632 -7.690
26 HD3 LYS 3 3HD LYS 3 1.051 0.230 -8.271
27 HE2 LYS 3 2HE LYS 3 2.327 1.557 -9.740
28 HE3 LYS 3 3HE LYS 3 3.842 1.110 -8.956
29 HZ1 LYS 3 3HZ LYS 3 3.729 -1.048 -9.862
30 HZ2 LYS 3 1HZ LYS 3 3.373 0.002 -11.140
31 HZ3 LYS 3 2HZ LYS 3 2.129 -0.849 -10.373
32 H ASP 4 H ASP 4 0.241 1.933 -3.066
33 HA ASP 4 HA ASP 4 -2.577 2.250 -3.315
34 HB2 ASP 4 2HB ASP 4 -0.732 1.070 -1.436
35 HB3 ASP 4 3HB ASP 4 -1.953 2.009 -0.582
36 H LEU 5 H LEU 5 -0.005 4.252 -2.131
37 HA LEU 5 HA LEU 5 -1.656 6.010 -0.590
38 HB2 LEU 5 2HB LEU 5 1.167 5.835 -1.375
39 HB3 LEU 5 3HB LEU 5 0.560 7.477 -1.172
40 HG LEU 5 HG LEU 5 -0.110 6.935 1.126
41 HD11 LEU 5 1HD1 LEU 5 0.469 4.239 0.222
42 HD12 LEU 5 2HD1 LEU 5 -0.473 4.792 1.607
43 HD13 LEU 5 3HD1 LEU 5 1.278 4.630 1.740
44 HD21 LEU 5 3HD2 LEU 5 2.216 7.762 0.444
45 HD22 LEU 5 1HD2 LEU 5 2.755 6.115 0.776
46 HD23 LEU 5 2HD2 LEU 5 2.027 7.080 2.061
47 H ARG 6 H ARG 6 -0.691 5.787 -3.919
48 HA ARG 6 HA ARG 6 -1.074 8.405 -4.777
49 HB2 ARG 6 2HB ARG 6 -0.183 6.411 -6.097
50 HB3 ARG 6 3HB ARG 6 -1.864 5.984 -6.388
51 HG2 ARG 6 2HG ARG 6 -1.509 7.198 -8.257
52 HG3 ARG 6 3HG ARG 6 -1.949 8.525 -7.181
53 HD2 ARG 6 2HD ARG 6 -0.011 9.438 -7.841
54 HD3 ARG 6 3HD ARG 6 0.727 8.297 -6.718
55 HE ARG 6 HE ARG 6 1.554 7.121 -8.503
56 HH11 ARG 6 1HH1 ARG 6 -0.882 9.345 -9.616
57 HH12 ARG 6 2HH1 ARG 6 -0.551 9.072 -11.294
58 HH21 ARG 6 1HH2 ARG 6 1.999 6.752 -10.710
59 HH22 ARG 6 2HH2 ARG 6 1.088 7.596 -11.915
60 H HIS 7 H HIS 7 -3.398 5.909 -4.012
61 HA HIS 7 HA HIS 7 -5.640 7.255 -5.181
62 HB2 HIS 7 2HB HIS 7 -5.605 5.054 -3.106
63 HB3 HIS 7 3HB HIS 7 -6.990 5.548 -4.076
64 HD1 HIS 7 HD1 HIS 7 -4.528 3.014 -3.961
65 HD2 HIS 7 HD2 HIS 7 -6.252 5.235 -7.021
66 HE1 HIS 7 HE1 HIS 7 -4.115 1.697 -6.063
67 H ALA 8 H ALA 8 -3.903 7.543 -2.252
68 HA ALA 8 HA ALA 8 -6.034 8.599 -0.654
69 HB1 ALA 8 1HB ALA 8 -3.672 7.547 -0.009
70 HB2 ALA 8 2HB ALA 8 -3.225 9.253 0.015
71 HB3 ALA 8 3HB ALA 8 -4.532 8.670 1.045
72 H PHE 9 H PHE 9 -3.859 9.875 -3.004
73 HA PHE 9 HA PHE 9 -3.764 12.564 -2.205
74 HB2 PHE 9 2HB PHE 9 -2.926 11.020 -4.450
75 HB3 PHE 9 3HB PHE 9 -3.789 12.431 -5.053
76 HD1 PHE 9 HD1 PHE 9 -1.246 11.613 -2.444
77 HD2 PHE 9 HD2 PHE 9 -2.539 14.299 -5.482
78 HE1 PHE 9 HE1 PHE 9 0.759 12.990 -2.075
79 HE2 PHE 9 HE2 PHE 9 -0.536 15.680 -5.119
80 HZ PHE 9 HZ PHE 9 1.117 15.025 -3.414
81 H ARG 10 H ARG 10 -6.248 10.696 -3.736
82 HA ARG 10 HA ARG 10 -7.736 12.915 -4.761
83 HB2 ARG 10 2HB ARG 10 -8.310 9.994 -4.366
84 HB3 ARG 10 3HB ARG 10 -9.597 11.104 -4.820
85 HG2 ARG 10 2HG ARG 10 -7.079 11.091 -6.408
86 HG3 ARG 10 3HG ARG 10 -8.251 9.792 -6.635
87 HD2 ARG 10 2HD ARG 10 -9.449 12.454 -6.584
88 HD3 ARG 10 3HD ARG 10 -8.293 12.229 -7.896
89 HE ARG 10 HE ARG 10 -9.875 10.004 -7.983
90 HH11 ARG 10 1HH1 ARG 10 -10.435 13.438 -8.100
91 HH12 ARG 10 2HH1 ARG 10 -11.849 13.306 -9.093
92 HH21 ARG 10 1HH2 ARG 10 -11.735 9.817 -9.291
93 HH22 ARG 10 2HH2 ARG 10 -12.588 11.246 -9.769
94 H SEP 11 H SEP 11 -7.524 11.227 -1.701
95 HA SEP 11 HA SEP 11 -10.075 11.949 -0.646
96 HB2 SEP 11 2HB SEP 11 -8.594 10.213 0.445
97 HB3 SEP 11 3HB SEP 11 -7.410 11.424 0.866
98 H MET 12 H MET 12 -7.063 13.685 -0.900
99 HA MET 12 HA MET 12 -7.764 15.900 0.708
100 HB2 MET 12 2HB MET 12 -5.446 15.252 -0.118
101 HB3 MET 12 3HB MET 12 -5.894 15.976 -1.657
102 HG2 MET 12 2HG MET 12 -5.426 18.004 -0.911
103 HG3 MET 12 3HG MET 12 -6.466 17.785 0.494
104 HE1 MET 12 3HE MET 12 -5.823 18.422 2.302
105 HE2 MET 12 1HE MET 12 -4.792 17.390 3.294
106 HE3 MET 12 2HE MET 12 -4.184 18.938 2.706
107 H PHE 13 H PHE 13 -8.556 14.996 -2.540
108 HA PHE 13 HA PHE 13 -9.366 17.627 -3.371
109 HB2 PHE 13 2HB PHE 13 -9.159 14.971 -4.577
110 HB3 PHE 13 3HB PHE 13 -10.586 15.856 -5.104
111 HD1 PHE 13 HD2 PHE 13 -7.036 16.767 -4.386
112 HD2 PHE 13 HD1 PHE 13 -10.286 16.865 -7.132
113 HE1 PHE 13 HE2 PHE 13 -5.653 18.043 -5.971
114 HE2 PHE 13 HE1 PHE 13 -8.909 18.141 -8.722
115 HZ PHE 13 HZ PHE 13 -6.589 18.732 -8.142
116 HA PRO 14 HA PRO 14 -13.539 17.624 -1.998
117 HB2 PRO 14 2HB PRO 14 -14.814 18.893 -4.028
118 HB3 PRO 14 3HB PRO 14 -13.708 19.721 -2.926
119 HG2 PRO 14 2HG PRO 14 -13.251 18.774 -5.711
120 HG3 PRO 14 3HG PRO 14 -12.620 20.215 -4.893
121 HD2 PRO 14 2HD PRO 14 -11.183 17.944 -5.320
122 HD3 PRO 14 3HD PRO 14 -10.841 19.150 -4.064
123 H SER 15 H SER 15 -12.754 16.026 -4.948
124 HA SER 15 HA SER 15 -15.340 15.032 -5.586
125 HB2 SER 15 2HB SER 15 -13.071 13.357 -6.409
126 HB3 SER 15 3HB SER 15 -14.317 14.129 -7.389
127 HG SER 15 HG SER 15 -12.163 14.958 -7.726
128 H SER 16 H SER 16 -12.733 13.926 -3.527
129 HA SER 16 HA SER 16 -14.050 11.380 -3.024
130 HB2 SER 16 2HB SER 16 -11.473 12.557 -1.958
131 HB3 SER 16 3HB SER 16 -12.077 10.951 -1.550
132 HG SER 16 HG SER 16 -11.477 10.241 -3.446
133 H GLU 17 H GLU 17 -13.571 14.487 -1.512
134 HA GLU 17 HA GLU 17 -14.599 13.609 1.048
135 HB2 GLU 17 2HB GLU 17 -13.151 15.879 0.057
136 HB3 GLU 17 3HB GLU 17 -14.588 16.434 0.903
137 HG2 GLU 17 2HG GLU 17 -13.486 14.438 2.520
138 HG3 GLU 17 3HG GLU 17 -12.127 15.412 1.962
Start of MODEL 20
1 H1 ARG 1 H ARG 1 5.648 0.148 -1.689
2 HA ARG 1 HA ARG 1 4.145 0.298 -3.439
3 HB2 ARG 1 2HB ARG 1 1.765 0.192 -2.507
4 HB3 ARG 1 3HB ARG 1 2.889 -1.055 -1.984
5 HG2 ARG 1 2HG ARG 1 3.204 0.030 0.130
6 HG3 ARG 1 3HG ARG 1 2.250 1.419 -0.395
7 HD2 ARG 1 2HD ARG 1 0.334 -0.219 -0.724
8 HD3 ARG 1 3HD ARG 1 1.315 -1.383 0.166
9 HE ARG 1 HE ARG 1 -0.127 0.846 1.246
10 HH11 ARG 1 1HH1 ARG 1 2.601 -1.268 1.707
11 HH12 ARG 1 2HH1 ARG 1 2.651 -1.042 3.424
12 HH21 ARG 1 1HH2 ARG 1 -0.071 1.151 3.506
13 HH22 ARG 1 2HH2 ARG 1 1.131 0.333 4.446
14 H SER 2 H SER 2 4.794 2.362 -4.265
15 HA SER 2 HA SER 2 3.474 4.754 -3.378
16 HB2 SER 2 2HB SER 2 5.772 4.209 -4.836
17 HB3 SER 2 3HB SER 2 4.677 4.900 -6.033
18 HG SER 2 HG SER 2 4.334 6.607 -4.398
19 H LYS 3 H LYS 3 2.906 2.311 -5.771
20 HA LYS 3 HA LYS 3 1.124 3.805 -7.412
21 HB2 LYS 3 2HB LYS 3 0.529 1.658 -8.393
22 HB3 LYS 3 3HB LYS 3 2.273 1.773 -8.199
23 HG2 LYS 3 2HG LYS 3 2.170 -0.217 -7.225
24 HG3 LYS 3 3HG LYS 3 1.429 0.598 -5.846
25 HD2 LYS 3 2HD LYS 3 -0.332 -0.734 -6.176
26 HD3 LYS 3 3HD LYS 3 -0.675 0.245 -7.604
27 HE2 LYS 3 2HE LYS 3 1.240 -2.052 -7.755
28 HE3 LYS 3 3HE LYS 3 -0.499 -2.332 -7.838
29 HZ1 LYS 3 3HZ LYS 3 -0.363 -0.470 -9.637
30 HZ2 LYS 3 1HZ LYS 3 0.014 -2.071 -10.034
31 HZ3 LYS 3 2HZ LYS 3 1.253 -0.957 -9.747
32 H ASP 4 H ASP 4 0.769 1.928 -4.491
33 HA ASP 4 HA ASP 4 -2.111 1.854 -4.625
34 HB2 ASP 4 2HB ASP 4 -0.140 0.466 -3.192
35 HB3 ASP 4 3HB ASP 4 -1.041 1.374 -1.981
36 H LEU 5 H LEU 5 0.350 3.840 -3.129
37 HA LEU 5 HA LEU 5 -1.447 5.254 -1.407
38 HB2 LEU 5 2HB LEU 5 1.030 4.977 -1.059
39 HB3 LEU 5 3HB LEU 5 1.267 6.149 -2.354
40 HG LEU 5 HG LEU 5 -0.385 7.531 -0.702
41 HD11 LEU 5 1HD1 LEU 5 0.274 5.367 0.847
42 HD12 LEU 5 2HD1 LEU 5 -0.271 6.933 1.445
43 HD13 LEU 5 3HD1 LEU 5 1.454 6.579 1.348
44 HD21 LEU 5 3HD2 LEU 5 1.629 8.723 0.015
45 HD22 LEU 5 1HD2 LEU 5 1.676 8.349 -1.708
46 HD23 LEU 5 2HD2 LEU 5 2.626 7.391 -0.573
47 H ARG 6 H ARG 6 -0.367 5.592 -4.691
48 HA ARG 6 HA ARG 6 -0.876 8.286 -5.159
49 HB2 ARG 6 2HB ARG 6 0.074 6.363 -6.699
50 HB3 ARG 6 3HB ARG 6 -1.596 6.268 -7.240
51 HG2 ARG 6 2HG ARG 6 -1.290 8.879 -7.493
52 HG3 ARG 6 3HG ARG 6 0.408 8.418 -7.629
53 HD2 ARG 6 2HD ARG 6 0.035 7.149 -9.548
54 HD3 ARG 6 3HD ARG 6 -1.696 7.026 -9.242
55 HE ARG 6 HE ARG 6 -0.323 9.153 -10.599
56 HH11 ARG 6 1HH1 ARG 6 -3.165 8.279 -8.788
57 HH12 ARG 6 2HH1 ARG 6 -4.138 9.549 -9.452
58 HH21 ARG 6 1HH2 ARG 6 -1.594 10.829 -11.481
59 HH22 ARG 6 2HH2 ARG 6 -3.244 10.998 -10.985
60 H HIS 7 H HIS 7 -3.072 5.583 -4.872
61 HA HIS 7 HA HIS 7 -5.352 6.971 -5.913
62 HB2 HIS 7 2HB HIS 7 -4.796 4.347 -5.484
63 HB3 HIS 7 3HB HIS 7 -5.810 4.695 -4.087
64 HD1 HIS 7 HD1 HIS 7 -8.291 4.889 -4.478
65 HD2 HIS 7 HD2 HIS 7 -6.110 4.738 -8.011
66 HE1 HIS 7 HE1 HIS 7 -9.996 4.638 -6.310
67 H ALA 8 H ALA 8 -3.727 6.900 -2.908
68 HA ALA 8 HA ALA 8 -5.965 7.585 -1.255
69 HB1 ALA 8 1HB ALA 8 -3.430 6.676 -0.768
70 HB2 ALA 8 2HB ALA 8 -3.335 8.360 -0.253
71 HB3 ALA 8 3HB ALA 8 -4.548 7.291 0.450
72 H PHE 9 H PHE 9 -3.796 9.319 -3.298
73 HA PHE 9 HA PHE 9 -3.902 11.857 -2.094
74 HB2 PHE 9 2HB PHE 9 -3.236 10.811 -4.798
75 HB3 PHE 9 3HB PHE 9 -3.589 12.531 -4.664
76 HD1 PHE 9 HD1 PHE 9 -1.692 10.036 -2.631
77 HD2 PHE 9 HD2 PHE 9 -1.710 13.827 -4.566
78 HE1 PHE 9 HE1 PHE 9 0.607 10.441 -1.852
79 HE2 PHE 9 HE2 PHE 9 0.589 14.238 -3.791
80 HZ PHE 9 HZ PHE 9 1.751 12.543 -2.433
81 H ARG 10 H ARG 10 -6.181 10.107 -4.031
82 HA ARG 10 HA ARG 10 -7.750 12.327 -4.866
83 HB2 ARG 10 2HB ARG 10 -7.883 9.420 -5.036
84 HB3 ARG 10 3HB ARG 10 -9.464 10.147 -4.782
85 HG2 ARG 10 2HG ARG 10 -8.968 9.844 -7.153
86 HG3 ARG 10 3HG ARG 10 -9.162 11.548 -6.739
87 HD2 ARG 10 2HD ARG 10 -6.424 10.842 -6.412
88 HD3 ARG 10 3HD ARG 10 -6.962 10.271 -7.991
89 HE ARG 10 HE ARG 10 -6.645 13.007 -7.144
90 HH11 ARG 10 1HH1 ARG 10 -8.177 10.847 -9.404
91 HH12 ARG 10 2HH1 ARG 10 -8.418 12.068 -10.609
92 HH21 ARG 10 1HH2 ARG 10 -6.957 14.624 -8.723
93 HH22 ARG 10 2HH2 ARG 10 -7.722 14.216 -10.220
94 H SEP 11 H SEP 11 -7.560 10.417 -1.939
95 HA SEP 11 HA SEP 11 -10.188 11.092 -0.948
96 HB2 SEP 11 2HB SEP 11 -9.324 9.203 0.208
97 HB3 SEP 11 3HB SEP 11 -7.685 9.803 0.231
98 H MET 12 H MET 12 -7.054 12.609 -0.800
99 HA MET 12 HA MET 12 -7.725 14.634 1.065
100 HB2 MET 12 2HB MET 12 -5.454 13.897 -0.530
101 HB3 MET 12 3HB MET 12 -5.738 15.626 -0.684
102 HG2 MET 12 2HG MET 12 -5.944 15.477 1.937
103 HG3 MET 12 3HG MET 12 -4.966 14.031 1.696
104 HE1 MET 12 3HE MET 12 -2.730 13.874 1.321
105 HE2 MET 12 1HE MET 12 -1.541 15.177 1.332
106 HE3 MET 12 2HE MET 12 -2.489 14.836 2.780
107 H PHE 13 H PHE 13 -8.296 14.234 -2.325
108 HA PHE 13 HA PHE 13 -8.720 16.970 -2.970
109 HB2 PHE 13 2HB PHE 13 -9.018 14.378 -4.298
110 HB3 PHE 13 3HB PHE 13 -10.244 15.548 -4.777
111 HD1 PHE 13 HD2 PHE 13 -6.647 15.979 -3.912
112 HD2 PHE 13 HD1 PHE 13 -9.684 16.311 -6.876
113 HE1 PHE 13 HE2 PHE 13 -5.035 17.036 -5.441
114 HE2 PHE 13 HE1 PHE 13 -8.076 17.367 -8.410
115 HZ PHE 13 HZ PHE 13 -5.749 17.732 -7.693
116 HA PRO 14 HA PRO 14 -12.819 17.688 -1.565
117 HB2 PRO 14 2HB PRO 14 -13.850 19.235 -3.537
118 HB3 PRO 14 3HB PRO 14 -12.604 19.810 -2.423
119 HG2 PRO 14 2HG PRO 14 -12.336 18.851 -5.235
120 HG3 PRO 14 3HG PRO 14 -11.485 20.171 -4.412
121 HD2 PRO 14 2HD PRO 14 -10.414 17.703 -4.874
122 HD3 PRO 14 3HD PRO 14 -9.910 18.795 -3.568
123 H SER 15 H SER 15 -12.336 16.042 -4.543
124 HA SER 15 HA SER 15 -15.056 15.571 -5.219
125 HB2 SER 15 2HB SER 15 -12.450 14.302 -6.022
126 HB3 SER 15 3HB SER 15 -13.987 13.616 -6.547
127 HG SER 15 HG SER 15 -12.876 15.295 -7.917
128 H SER 16 H SER 16 -12.830 14.103 -3.008
129 HA SER 16 HA SER 16 -14.396 11.691 -2.687
130 HB2 SER 16 2HB SER 16 -12.580 10.856 -1.630
131 HB3 SER 16 3HB SER 16 -11.750 12.273 -2.274
132 HG SER 16 HG SER 16 -12.043 13.312 -0.333
133 H GLU 17 H GLU 17 -13.996 14.779 -1.104
134 HA GLU 17 HA GLU 17 -15.509 13.995 1.232
135 HB2 GLU 17 2HB GLU 17 -13.615 15.876 0.864
136 HB3 GLU 17 3HB GLU 17 -15.053 16.865 0.654
137 HG2 GLU 17 2HG GLU 17 -15.829 15.781 2.868
138 HG3 GLU 17 3HG GLU 17 -14.127 15.371 3.068
Contact the webmaster for help, if required. Tuesday, May 14, 2024 5:28:40 PM GMT (wattos1)