Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
525574 | 2lkw RC | 18014 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HT1 GLY 1 -15.001 -10.129 -3.633
2 H2 ACE 0 HT2 GLY 1 -14.955 -8.562 -3.949
3 H3 ACE 0 HT3 GLY 1 -14.122 -9.585 -4.854
4 H GLY 1 HN GLY 1 -17.230 -8.355 -4.197
5 HA2 GLY 1 HA2 GLY 1 -17.874 -8.915 -6.968
6 HA3 GLY 1 HA1 GLY 1 -18.629 -10.019 -5.823
7 H GLN 2 HN GLN 2 -18.928 -8.052 -3.718
8 HA GLN 2 HA GLN 2 -20.973 -6.286 -4.924
9 HB2 GLN 2 HB2 GLN 2 -21.173 -7.605 -2.208
10 HB3 GLN 2 HB1 GLN 2 -22.426 -6.684 -3.054
11 HG2 GLN 2 HG2 GLN 2 -21.743 -8.618 -4.905
12 HG3 GLN 2 HG1 GLN 2 -21.631 -9.491 -3.378
13 HE21 GLN 2 HE21 GLN 2 -23.587 -10.107 -2.385
14 HE22 GLN 2 HE22 GLN 2 -25.119 -9.618 -2.927
15 H ARG 3 HN ARG 3 -18.970 -6.820 -2.020
16 HA ARG 3 HA ARG 3 -17.497 -4.614 -1.836
17 HB2 ARG 3 HB2 ARG 3 -19.052 -2.937 -2.200
18 HB3 ARG 3 HB1 ARG 3 -20.358 -3.842 -1.426
19 HG2 ARG 3 HG2 ARG 3 -18.026 -2.958 0.249
20 HG3 ARG 3 HG1 ARG 3 -19.245 -1.764 -0.199
21 HD2 ARG 3 HD2 ARG 3 -20.386 -4.308 0.727
22 HD3 ARG 3 HD1 ARG 3 -19.425 -3.484 1.952
23 HE ARG 3 HE ARG 3 -20.965 -1.686 1.901
24 HH11 ARG 3 HH11 ARG 3 -21.669 -4.183 -0.389
25 HH12 ARG 3 HH12 ARG 3 -23.284 -3.637 -0.698
26 HH21 ARG 3 HH21 ARG 3 -23.082 -0.963 1.500
27 HH22 ARG 3 HH22 ARG 3 -24.083 -1.813 0.372
28 H HIS 4 HN HIS 4 -16.477 -4.442 0.130
29 HA HIS 4 HA HIS 4 -17.710 -5.772 2.449
30 HB2 HIS 4 HB2 HIS 4 -14.989 -6.436 2.574
31 HB3 HIS 4 HB1 HIS 4 -16.335 -7.535 2.245
32 HD1 HIS 4 HD1 HIS 4 -14.623 -4.858 0.067
33 HD2 HIS 4 HD2 HIS 4 -15.676 -8.899 -0.052
34 HE1 HIS 4 HE1 HIS 4 -13.965 -5.709 -2.224
35 HE2 HIS 4 HE2 HIS 4 -14.597 -8.166 -2.312
36 H SER 5 HN SER 5 -15.672 -5.577 4.233
37 HA SER 5 HA SER 5 -15.761 -2.869 5.017
38 HB2 SER 5 HB2 SER 5 -14.515 -3.522 6.877
39 HB3 SER 5 HB1 SER 5 -15.299 -5.028 6.410
40 HG SER 5 HG SER 5 -12.710 -4.196 5.583
41 H ILE 6 HN ILE 6 -14.388 -1.188 4.749
42 HA ILE 6 HA ILE 6 -13.004 -0.470 2.716
43 HB ILE 6 HB ILE 6 -12.356 1.130 4.118
44 HG12 ILE 6 HG12 ILE 6 -10.472 -0.783 5.550
45 HG13 ILE 6 HG11 ILE 6 -10.090 -0.068 3.976
46 HG21 ILE 6 HG21 ILE 6 -13.962 0.388 5.683
47 HG22 ILE 6 HG22 ILE 6 -12.499 0.715 6.612
48 HG23 ILE 6 HG23 ILE 6 -12.940 -0.946 6.215
49 HD11 ILE 6 HD11 ILE 6 -9.299 1.139 6.162
50 HD12 ILE 6 HD12 ILE 6 -10.969 1.702 6.236
51 HD13 ILE 6 HD13 ILE 6 -9.967 2.095 4.838
52 H VAL 7 HN VAL 7 -11.829 -1.594 1.291
53 HA VAL 7 HA VAL 7 -9.958 -3.643 2.241
54 HB VAL 7 HB VAL 7 -9.779 -3.858 -0.415
55 HG11 VAL 7 HG11 VAL 7 -12.025 -4.820 1.375
56 HG12 VAL 7 HG12 VAL 7 -10.526 -5.665 0.993
57 HG13 VAL 7 HG13 VAL 7 -11.752 -5.439 -0.253
58 HG21 VAL 7 HG21 VAL 7 -11.964 -3.336 -1.440
59 HG22 VAL 7 HG22 VAL 7 -11.199 -1.872 -0.821
60 HG23 VAL 7 HG23 VAL 7 -12.511 -2.631 0.081
61 H GLN 8 HN GLN 8 -8.258 -2.388 3.031
62 HA GLN 8 HA GLN 8 -6.687 -1.000 0.930
63 HB2 GLN 8 HB2 GLN 8 -7.099 -0.098 3.807
64 HB3 GLN 8 HB1 GLN 8 -5.974 0.656 2.628
65 HG2 GLN 8 HG2 GLN 8 -8.866 0.289 1.882
66 HG3 GLN 8 HG1 GLN 8 -8.419 1.621 2.947
67 HE21 GLN 8 HE21 GLN 8 -5.787 2.107 1.754
68 HE22 GLN 8 HE22 GLN 8 -6.060 2.766 0.214
69 HA PRO 9 HA PRO 9 -4.249 -4.363 3.070
70 HB2 PRO 9 HB2 PRO 9 -3.321 -4.747 0.274
71 HB3 PRO 9 HB1 PRO 9 -3.932 -5.937 1.422
72 HG2 PRO 9 HG2 PRO 9 -5.385 -5.205 -0.650
73 HG3 PRO 9 HG1 PRO 9 -6.132 -5.510 0.930
74 HD2 PRO 9 HD2 PRO 9 -5.424 -2.891 -0.337
75 HD3 PRO 9 HD1 PRO 9 -6.915 -3.339 0.525
76 HA PRO 10 HA PRO 10 -0.762 -1.474 2.754
77 HB2 PRO 10 HB2 PRO 10 0.357 -1.952 5.118
78 HB3 PRO 10 HB1 PRO 10 -1.253 -1.200 5.042
79 HG2 PRO 10 HG2 PRO 10 -0.515 -4.044 5.572
80 HG3 PRO 10 HG1 PRO 10 -1.704 -3.017 6.405
81 HD2 PRO 10 HD2 PRO 10 -2.366 -4.842 4.390
82 HD3 PRO 10 HD1 PRO 10 -3.352 -3.430 4.835
83 H ALA 11 HN ALA 11 1.028 -1.922 1.553
84 HA ALA 11 HA ALA 11 2.176 -4.608 1.701
85 HB1 ALA 11 HB1 ALA 11 3.582 -3.192 -0.232
86 HB2 ALA 11 HB2 ALA 11 1.941 -2.558 -0.354
87 HB3 ALA 11 HB3 ALA 11 2.234 -4.289 -0.524
88 HA PRO 12 HA PRO 12 5.440 -2.830 4.201
89 HB2 PRO 12 HB2 PRO 12 6.911 -5.122 4.495
90 HB3 PRO 12 HB1 PRO 12 5.455 -4.775 5.442
91 HG2 PRO 12 HG2 PRO 12 5.852 -6.604 3.162
92 HG3 PRO 12 HG1 PRO 12 4.727 -6.712 4.525
93 HD2 PRO 12 HD2 PRO 12 4.062 -5.909 1.939
94 HD3 PRO 12 HD1 PRO 12 3.081 -5.619 3.390
95 HA PRO 13 HA PRO 13 8.253 -1.800 0.799
96 HB2 PRO 13 HB2 PRO 13 9.892 -0.965 3.167
97 HB3 PRO 13 HB1 PRO 13 9.574 -0.086 1.654
98 HG2 PRO 13 HG2 PRO 13 8.291 0.598 3.825
99 HG3 PRO 13 HG1 PRO 13 7.430 0.470 2.278
100 HD2 PRO 13 HD2 PRO 13 7.378 -1.424 4.610
101 HD3 PRO 13 HD1 PRO 13 6.069 -0.927 3.508
102 HA PRO 14 HA PRO 14 10.899 -5.434 1.463
103 HB2 PRO 14 HB2 PRO 14 11.518 -5.903 -1.129
104 HB3 PRO 14 HB1 PRO 14 9.927 -6.297 -0.450
105 HG2 PRO 14 HG2 PRO 14 10.732 -4.052 -2.204
106 HG3 PRO 14 HG1 PRO 14 9.198 -4.929 -2.118
107 HD2 PRO 14 HD2 PRO 14 9.723 -2.415 -0.973
108 HD3 PRO 14 HD1 PRO 14 8.333 -3.458 -0.604
109 H ASN 15 HN ASN 15 13.112 -5.752 1.616
110 HA ASN 15 HA ASN 15 14.794 -3.451 1.440
111 HB2 ASN 15 HB2 ASN 15 15.640 -6.332 1.801
112 HB3 ASN 15 HB1 ASN 15 16.538 -4.890 2.272
113 HD21 ASN 15 HD21 ASN 15 16.508 -4.967 4.544
114 HD22 ASN 15 HD22 ASN 15 15.094 -5.117 5.472
115 H ALA 16 HN ALA 16 16.657 -3.164 0.097
116 HA ALA 16 HA ALA 16 16.384 -4.484 -2.526
117 HB1 ALA 16 HB1 ALA 16 18.202 -2.228 -2.478
118 HB2 ALA 16 HB2 ALA 16 16.630 -1.783 -1.815
119 HB3 ALA 16 HB3 ALA 16 16.741 -2.464 -3.438
120 H PHE 17 HN PHE 17 18.355 -5.041 -3.687
121 HA PHE 17 HA PHE 17 20.155 -6.565 -2.156
122 HB2 PHE 17 HB2 PHE 17 21.202 -5.659 -4.739
123 HB3 PHE 17 HB1 PHE 17 20.877 -7.294 -4.165
124 HD1 PHE 17 HD1 PHE 17 18.348 -7.958 -3.955
125 HD2 PHE 17 HD2 PHE 17 19.804 -4.710 -6.355
126 HE1 PHE 17 HE1 PHE 17 16.268 -8.028 -5.284
127 HE2 PHE 17 HE2 PHE 17 17.735 -4.756 -7.701
128 HZ PHE 17 HZ PHE 17 15.935 -6.419 -7.173
129 H VAL 18 HN VAL 18 21.300 -5.526 -0.595
130 HA VAL 18 HA VAL 18 22.916 -4.201 0.357
131 HB VAL 18 HB VAL 18 23.894 -3.844 -2.483
132 HG11 VAL 18 HG11 VAL 18 25.352 -3.782 0.177
133 HG12 VAL 18 HG12 VAL 18 24.877 -2.350 -0.738
134 HG13 VAL 18 HG13 VAL 18 26.055 -3.476 -1.412
135 HG21 VAL 18 HG21 VAL 18 24.077 -6.116 -2.400
136 HG22 VAL 18 HG22 VAL 18 23.878 -6.163 -0.649
137 HG23 VAL 18 HG23 VAL 18 25.453 -5.787 -1.347
138 H GLU 19 HN GLU 19 21.270 -2.647 0.912
139 HA GLU 19 HA GLU 19 20.273 -0.570 -0.566
140 HB2 GLU 19 HB2 GLU 19 21.265 0.104 2.171
141 HB3 GLU 19 HB1 GLU 19 19.676 0.415 1.425
142 HG2 GLU 19 HG2 GLU 19 19.004 -1.324 2.748
143 HG3 GLU 19 HG1 GLU 19 19.686 -2.312 1.456
144 H ILE 20 HN ILE 20 23.252 -0.366 1.400
145 HA ILE 20 HA ILE 20 24.088 1.950 -0.211
146 HB ILE 20 HB ILE 20 25.982 1.616 1.769
147 HG12 ILE 20 HG12 ILE 20 23.235 0.845 2.821
148 HG13 ILE 20 HG11 ILE 20 24.684 -0.168 2.825
149 HG21 ILE 20 HG21 ILE 20 24.940 3.730 1.132
150 HG22 ILE 20 HG22 ILE 20 24.764 3.496 2.871
151 HG23 ILE 20 HG23 ILE 20 23.396 3.200 1.799
152 HD11 ILE 20 HD11 ILE 20 25.851 1.415 4.307
153 HD12 ILE 20 HD12 ILE 20 24.345 0.895 5.063
154 HD13 ILE 20 HD13 ILE 20 24.451 2.489 4.305
155 HN1 NH2 21 HT1 ILE 20 26.077 -0.603 1.355
156 HN2 NH2 21 HT2 ILE 20 26.969 -0.967 -0.043
Start of MODEL 2
1 H1 ACE 0 HT1 GLY 1 -13.936 8.450 5.605
2 H2 ACE 0 HT2 GLY 1 -12.715 8.945 6.513
3 H3 ACE 0 HT3 GLY 1 -14.109 9.731 6.548
4 H GLY 1 HN GLY 1 -14.875 9.500 8.605
5 HA2 GLY 1 HA2 GLY 1 -14.579 6.811 9.643
6 HA3 GLY 1 HA1 GLY 1 -15.271 8.188 10.494
7 H GLN 2 HN GLN 2 -16.816 8.269 7.657
8 HA GLN 2 HA GLN 2 -19.212 7.066 8.743
9 HB2 GLN 2 HB2 GLN 2 -18.799 8.214 5.974
10 HB3 GLN 2 HB1 GLN 2 -20.330 7.993 6.834
11 HG2 GLN 2 HG2 GLN 2 -18.150 9.686 8.034
12 HG3 GLN 2 HG1 GLN 2 -19.226 10.363 6.814
13 HE21 GLN 2 HE21 GLN 2 -20.510 11.718 8.160
14 HE22 GLN 2 HE22 GLN 2 -21.463 11.126 9.434
15 H ARG 3 HN ARG 3 -16.850 6.342 6.231
16 HA ARG 3 HA ARG 3 -16.838 3.681 6.181
17 HB2 ARG 3 HB2 ARG 3 -19.086 3.161 6.039
18 HB3 ARG 3 HB1 ARG 3 -19.467 4.611 5.102
19 HG2 ARG 3 HG2 ARG 3 -17.702 2.506 3.877
20 HG3 ARG 3 HG1 ARG 3 -19.444 2.231 3.930
21 HD2 ARG 3 HD2 ARG 3 -19.841 3.769 2.320
22 HD3 ARG 3 HD1 ARG 3 -18.746 4.938 3.052
23 HE ARG 3 HE ARG 3 -16.997 3.227 1.974
24 HH11 ARG 3 HH21 ARG 3 -19.935 4.584 0.749
25 HH12 ARG 3 HH22 ARG 3 -19.419 4.559 -0.904
26 HH21 ARG 3 HH11 ARG 3 -16.313 3.191 -0.191
27 HH22 ARG 3 HH12 ARG 3 -17.368 3.770 -1.437
28 H HIS 4 HN HIS 4 -15.662 2.875 4.475
29 HA HIS 4 HA HIS 4 -15.503 4.350 1.972
30 HB2 HIS 4 HB2 HIS 4 -13.805 5.191 3.901
31 HB3 HIS 4 HB1 HIS 4 -12.845 3.881 3.201
32 HD1 HIS 4 HD1 HIS 4 -15.139 6.519 1.584
33 HD2 HIS 4 HD2 HIS 4 -11.243 5.040 1.286
34 HE1 HIS 4 HE1 HIS 4 -14.049 7.740 -0.345
35 HE2 HIS 4 HE2 HIS 4 -11.679 6.853 -0.540
36 H SER 5 HN SER 5 -13.149 3.227 1.013
37 HA SER 5 HA SER 5 -14.041 0.534 0.459
38 HB2 SER 5 HB2 SER 5 -12.315 0.489 -1.191
39 HB3 SER 5 HB1 SER 5 -13.003 2.109 -1.237
40 HG SER 5 HG SER 5 -10.502 1.473 -0.884
41 H ILE 6 HN ILE 6 -13.604 0.532 3.088
42 HA ILE 6 HA ILE 6 -11.526 0.204 4.535
43 HB ILE 6 HB ILE 6 -12.860 -1.120 5.716
44 HG12 ILE 6 HG12 ILE 6 -12.700 -3.273 3.565
45 HG13 ILE 6 HG11 ILE 6 -11.471 -3.041 4.818
46 HG21 ILE 6 HG21 ILE 6 -14.346 -1.367 3.108
47 HG22 ILE 6 HG22 ILE 6 -14.666 -0.252 4.437
48 HG23 ILE 6 HG23 ILE 6 -14.969 -1.976 4.641
49 HD11 ILE 6 HD11 ILE 6 -12.821 -4.620 5.842
50 HD12 ILE 6 HD12 ILE 6 -14.291 -4.006 5.087
51 HD13 ILE 6 HD13 ILE 6 -13.561 -3.133 6.435
52 H VAL 7 HN VAL 7 -12.113 -2.147 1.918
53 HA VAL 7 HA VAL 7 -9.919 -3.779 2.182
54 HB VAL 7 HB VAL 7 -10.078 -3.411 -0.561
55 HG11 VAL 7 HG11 VAL 7 -11.692 -5.364 -0.401
56 HG12 VAL 7 HG12 VAL 7 -11.666 -5.146 1.349
57 HG13 VAL 7 HG13 VAL 7 -10.185 -5.572 0.491
58 HG21 VAL 7 HG21 VAL 7 -12.357 -2.982 -1.117
59 HG22 VAL 7 HG22 VAL 7 -11.913 -1.711 0.021
60 HG23 VAL 7 HG23 VAL 7 -12.867 -3.090 0.568
61 H GLN 8 HN GLN 8 -8.255 -2.400 3.072
62 HA GLN 8 HA GLN 8 -6.710 -1.025 0.943
63 HB2 GLN 8 HB2 GLN 8 -7.073 -0.115 3.824
64 HB3 GLN 8 HB1 GLN 8 -5.981 0.643 2.616
65 HG2 GLN 8 HG2 GLN 8 -8.886 0.253 1.938
66 HG3 GLN 8 HG1 GLN 8 -8.426 1.591 2.989
67 HE21 GLN 8 HE21 GLN 8 -8.822 0.748 -0.256
68 HE22 GLN 8 HE22 GLN 8 -7.868 1.969 -0.951
69 HA PRO 9 HA PRO 9 -4.243 -4.390 3.041
70 HB2 PRO 9 HB2 PRO 9 -3.321 -4.715 0.233
71 HB3 PRO 9 HB1 PRO 9 -3.902 -5.933 1.366
72 HG2 PRO 9 HG2 PRO 9 -5.387 -5.196 -0.678
73 HG3 PRO 9 HG1 PRO 9 -6.115 -5.528 0.907
74 HD2 PRO 9 HD2 PRO 9 -5.454 -2.887 -0.340
75 HD3 PRO 9 HD1 PRO 9 -6.928 -3.363 0.535
76 HA PRO 10 HA PRO 10 -0.776 -1.471 2.777
77 HB2 PRO 10 HB2 PRO 10 0.346 -1.985 5.132
78 HB3 PRO 10 HB1 PRO 10 -1.268 -1.242 5.070
79 HG2 PRO 10 HG2 PRO 10 -0.512 -4.091 5.549
80 HG3 PRO 10 HG1 PRO 10 -1.707 -3.086 6.400
81 HD2 PRO 10 HD2 PRO 10 -2.359 -4.878 4.355
82 HD3 PRO 10 HD1 PRO 10 -3.353 -3.479 4.824
83 H ALA 11 HN ALA 11 1.018 -1.885 1.571
84 HA ALA 11 HA ALA 11 2.179 -4.567 1.664
85 HB1 ALA 11 HB1 ALA 11 1.688 -2.781 -0.420
86 HB2 ALA 11 HB2 ALA 11 2.632 -4.268 -0.516
87 HB3 ALA 11 HB3 ALA 11 3.437 -2.730 -0.202
88 HA PRO 12 HA PRO 12 5.435 -2.818 4.200
89 HB2 PRO 12 HB2 PRO 12 6.891 -5.117 4.492
90 HB3 PRO 12 HB1 PRO 12 5.425 -4.773 5.425
91 HG2 PRO 12 HG2 PRO 12 5.841 -6.583 3.134
92 HG3 PRO 12 HG1 PRO 12 4.705 -6.703 4.485
93 HD2 PRO 12 HD2 PRO 12 4.064 -5.871 1.901
94 HD3 PRO 12 HD1 PRO 12 3.069 -5.599 3.346
95 HA PRO 13 HA PRO 13 8.272 -1.781 0.823
96 HB2 PRO 13 HB2 PRO 13 9.909 -0.982 3.204
97 HB3 PRO 13 HB1 PRO 13 9.605 -0.087 1.700
98 HG2 PRO 13 HG2 PRO 13 8.318 0.589 3.870
99 HG3 PRO 13 HG1 PRO 13 7.464 0.482 2.318
100 HD2 PRO 13 HD2 PRO 13 7.382 -1.433 4.631
101 HD3 PRO 13 HD1 PRO 13 6.084 -0.914 3.527
102 HA PRO 14 HA PRO 14 10.878 -5.448 1.461
103 HB2 PRO 14 HB2 PRO 14 11.513 -5.891 -1.132
104 HB3 PRO 14 HB1 PRO 14 9.915 -6.280 -0.469
105 HG2 PRO 14 HG2 PRO 14 10.749 -4.022 -2.191
106 HG3 PRO 14 HG1 PRO 14 9.206 -4.887 -2.124
107 HD2 PRO 14 HD2 PRO 14 9.745 -2.390 -0.947
108 HD3 PRO 14 HD1 PRO 14 8.345 -3.426 -0.598
109 H ASN 15 HN ASN 15 13.040 -5.653 1.833
110 HA ASN 15 HA ASN 15 14.761 -3.436 1.692
111 HB2 ASN 15 HB2 ASN 15 16.343 -4.795 2.681
112 HB3 ASN 15 HB1 ASN 15 14.874 -5.685 3.078
113 HD21 ASN 15 HD21 ASN 15 14.256 -7.096 0.826
114 HD22 ASN 15 HD22 ASN 15 15.543 -8.096 0.351
115 H ALA 16 HN ALA 16 16.754 -3.216 0.450
116 HA ALA 16 HA ALA 16 16.591 -4.471 -2.223
117 HB1 ALA 16 HB1 ALA 16 16.805 -2.461 -3.286
118 HB2 ALA 16 HB2 ALA 16 17.781 -1.762 -1.994
119 HB3 ALA 16 HB3 ALA 16 16.030 -1.870 -1.816
120 H PHE 17 HN PHE 17 18.105 -6.015 -1.181
121 HA PHE 17 HA PHE 17 20.648 -5.294 -0.227
122 HB2 PHE 17 HB2 PHE 17 20.954 -7.769 -1.503
123 HB3 PHE 17 HB1 PHE 17 20.557 -7.496 0.193
124 HD1 PHE 17 HD2 PHE 17 18.662 -7.038 -3.014
125 HD2 PHE 17 HD1 PHE 17 18.804 -8.871 0.866
126 HE1 PHE 17 HE2 PHE 17 16.415 -7.987 -3.397
127 HE2 PHE 17 HE1 PHE 17 16.558 -9.834 0.510
128 HZ PHE 17 HZ PHE 17 15.335 -9.401 -1.633
129 H VAL 18 HN VAL 18 21.294 -3.588 -1.685
130 HA VAL 18 HA VAL 18 22.522 -4.648 -4.155
131 HB VAL 18 HB VAL 18 21.565 -1.811 -3.995
132 HG11 VAL 18 HG11 VAL 18 21.370 -3.475 -6.439
133 HG12 VAL 18 HG12 VAL 18 23.006 -3.183 -5.848
134 HG13 VAL 18 HG13 VAL 18 21.956 -1.823 -6.246
135 HG21 VAL 18 HG21 VAL 18 19.915 -4.272 -4.155
136 HG22 VAL 18 HG22 VAL 18 19.560 -3.038 -5.364
137 HG23 VAL 18 HG23 VAL 18 19.462 -2.645 -3.648
138 H GLU 19 HN GLU 19 24.405 -4.902 -2.743
139 HA GLU 19 HA GLU 19 25.753 -2.335 -2.160
140 HB2 GLU 19 HB2 GLU 19 27.193 -3.733 -0.622
141 HB3 GLU 19 HB1 GLU 19 25.484 -3.602 -0.137
142 HG2 GLU 19 HG2 GLU 19 25.332 -5.846 -0.179
143 HG3 GLU 19 HG1 GLU 19 25.675 -5.821 -1.908
144 H ILE 20 HN ILE 20 28.165 -2.433 -2.372
145 HA ILE 20 HA ILE 20 29.005 -4.207 -4.579
146 HB ILE 20 HB ILE 20 30.290 -2.280 -5.512
147 HG12 ILE 20 HG12 ILE 20 28.725 -0.805 -3.369
148 HG13 ILE 20 HG11 ILE 20 30.481 -0.878 -3.558
149 HG21 ILE 20 HG21 ILE 20 28.371 -1.235 -6.575
150 HG22 ILE 20 HG22 ILE 20 27.315 -1.752 -5.260
151 HG23 ILE 20 HG23 ILE 20 28.020 -2.949 -6.347
152 HD11 ILE 20 HD11 ILE 20 28.577 0.396 -5.572
153 HD12 ILE 20 HD12 ILE 20 30.330 0.292 -5.734
154 HD13 ILE 20 HD13 ILE 20 29.626 1.278 -4.453
155 HN1 NH2 21 HT1 ILE 20 29.520 -4.121 -1.539
156 HN2 NH2 21 HT2 ILE 20 31.213 -4.116 -1.421
Start of MODEL 3
1 H1 ACE 0 HT1 GLY 1 -18.365 -5.204 -7.484
2 H2 ACE 0 HT2 GLY 1 -17.305 -5.606 -6.354
3 H3 ACE 0 HT3 GLY 1 -16.798 -5.015 -7.752
4 H GLY 1 HN GLY 1 -19.205 -3.989 -5.465
5 HA2 GLY 1 HA2 GLY 1 -17.568 -1.844 -4.541
6 HA3 GLY 1 HA1 GLY 1 -18.512 -1.339 -5.940
7 H GLN 2 HN GLN 2 -19.624 -3.709 -3.603
8 HA GLN 2 HA GLN 2 -21.960 -2.066 -3.044
9 HB2 GLN 2 HB2 GLN 2 -21.166 -4.908 -2.532
10 HB3 GLN 2 HB1 GLN 2 -22.454 -4.185 -1.556
11 HG2 GLN 2 HG2 GLN 2 -22.446 -4.011 -4.574
12 HG3 GLN 2 HG1 GLN 2 -23.173 -5.372 -3.721
13 HE21 GLN 2 HE21 GLN 2 -24.243 -3.926 -1.466
14 HE22 GLN 2 HE22 GLN 2 -25.480 -2.915 -2.038
15 H ARG 3 HN ARG 3 -19.441 -3.718 -1.124
16 HA ARG 3 HA ARG 3 -18.557 -1.844 0.546
17 HB2 ARG 3 HB2 ARG 3 -20.529 -0.869 1.280
18 HB3 ARG 3 HB1 ARG 3 -21.423 -2.394 1.217
19 HG2 ARG 3 HG2 ARG 3 -19.152 -2.160 3.165
20 HG3 ARG 3 HG1 ARG 3 -20.664 -1.335 3.548
21 HD2 ARG 3 HD2 ARG 3 -21.795 -3.284 3.882
22 HD3 ARG 3 HD1 ARG 3 -20.965 -4.109 2.567
23 HE ARG 3 HE ARG 3 -19.421 -4.894 4.111
24 HH11 ARG 3 HH21 ARG 3 -21.220 -2.233 5.398
25 HH12 ARG 3 HH22 ARG 3 -20.570 -2.387 6.996
26 HH21 ARG 3 HH11 ARG 3 -18.562 -5.102 6.204
27 HH22 ARG 3 HH12 ARG 3 -19.065 -4.011 7.452
28 H HIS 4 HN HIS 4 -17.331 -2.691 2.194
29 HA HIS 4 HA HIS 4 -17.863 -5.167 3.486
30 HB2 HIS 4 HB2 HIS 4 -15.580 -6.078 2.315
31 HB3 HIS 4 HB1 HIS 4 -17.207 -6.530 1.793
32 HD1 HIS 4 HD1 HIS 4 -15.114 -3.357 1.174
33 HD2 HIS 4 HD2 HIS 4 -17.236 -6.265 -0.946
34 HE1 HIS 4 HE1 HIS 4 -15.004 -2.696 -1.266
35 HE2 HIS 4 HE2 HIS 4 -16.290 -4.453 -2.569
36 H SER 5 HN SER 5 -15.503 -6.018 4.329
37 HA SER 5 HA SER 5 -14.641 -4.096 6.172
38 HB2 SER 5 HB2 SER 5 -13.595 -5.883 7.030
39 HB3 SER 5 HB1 SER 5 -14.101 -6.810 5.620
40 HG SER 5 HG SER 5 -11.753 -6.625 6.081
41 H ILE 6 HN ILE 6 -13.493 -2.314 5.879
42 HA ILE 6 HA ILE 6 -12.550 -1.014 3.882
43 HB ILE 6 HB ILE 6 -11.545 0.130 5.501
44 HG12 ILE 6 HG12 ILE 6 -9.487 -2.078 5.890
45 HG13 ILE 6 HG11 ILE 6 -9.417 -0.938 4.537
46 HG21 ILE 6 HG21 ILE 6 -12.811 -1.058 7.103
47 HG22 ILE 6 HG22 ILE 6 -11.171 -0.982 7.746
48 HG23 ILE 6 HG23 ILE 6 -11.759 -2.469 7.002
49 HD11 ILE 6 HD11 ILE 6 -9.852 0.388 7.108
50 HD12 ILE 6 HD12 ILE 6 -8.662 0.732 5.853
51 HD13 ILE 6 HD13 ILE 6 -8.341 -0.519 7.054
52 H VAL 7 HN VAL 7 -11.768 -1.669 1.975
53 HA VAL 7 HA VAL 7 -9.885 -3.899 1.840
54 HB VAL 7 HB VAL 7 -10.178 -3.209 -0.724
55 HG11 VAL 7 HG11 VAL 7 -12.138 -4.758 -0.771
56 HG12 VAL 7 HG12 VAL 7 -12.233 -4.645 0.986
57 HG13 VAL 7 HG13 VAL 7 -10.816 -5.368 0.224
58 HG21 VAL 7 HG21 VAL 7 -12.743 -2.249 0.583
59 HG22 VAL 7 HG22 VAL 7 -12.377 -2.267 -1.143
60 HG23 VAL 7 HG23 VAL 7 -11.506 -1.173 -0.068
61 H GLN 8 HN GLN 8 -8.264 -2.497 3.000
62 HA GLN 8 HA GLN 8 -6.698 -0.978 0.990
63 HB2 GLN 8 HB2 GLN 8 -7.125 -0.206 3.904
64 HB3 GLN 8 HB1 GLN 8 -6.053 0.636 2.733
65 HG2 GLN 8 HG2 GLN 8 -9.043 0.242 2.346
66 HG3 GLN 8 HG1 GLN 8 -8.315 1.711 2.991
67 HE21 GLN 8 HE21 GLN 8 -5.933 1.549 1.208
68 HE22 GLN 8 HE22 GLN 8 -6.486 1.962 -0.343
69 HA PRO 9 HA PRO 9 -4.238 -4.378 3.049
70 HB2 PRO 9 HB2 PRO 9 -3.311 -4.716 0.250
71 HB3 PRO 9 HB1 PRO 9 -3.927 -5.924 1.376
72 HG2 PRO 9 HG2 PRO 9 -5.369 -5.152 -0.692
73 HG3 PRO 9 HG1 PRO 9 -6.124 -5.491 0.878
74 HD2 PRO 9 HD2 PRO 9 -5.412 -2.844 -0.328
75 HD3 PRO 9 HD1 PRO 9 -6.909 -3.313 0.512
76 HA PRO 10 HA PRO 10 -0.770 -1.463 2.769
77 HB2 PRO 10 HB2 PRO 10 0.358 -1.972 5.122
78 HB3 PRO 10 HB1 PRO 10 -1.257 -1.227 5.062
79 HG2 PRO 10 HG2 PRO 10 -0.500 -4.076 5.547
80 HG3 PRO 10 HG1 PRO 10 -1.693 -3.069 6.397
81 HD2 PRO 10 HD2 PRO 10 -2.348 -4.866 4.356
82 HD3 PRO 10 HD1 PRO 10 -3.342 -3.468 4.827
83 H ALA 11 HN ALA 11 1.019 -1.882 1.558
84 HA ALA 11 HA ALA 11 2.181 -4.565 1.659
85 HB1 ALA 11 HB1 ALA 11 1.823 -3.922 -0.570
86 HB2 ALA 11 HB2 ALA 11 3.540 -3.604 -0.324
87 HB3 ALA 11 HB3 ALA 11 2.381 -2.275 -0.280
88 HA PRO 12 HA PRO 12 5.444 -2.794 4.173
89 HB2 PRO 12 HB2 PRO 12 6.894 -5.091 4.494
90 HB3 PRO 12 HB1 PRO 12 5.428 -4.735 5.422
91 HG2 PRO 12 HG2 PRO 12 5.844 -6.572 3.152
92 HG3 PRO 12 HG1 PRO 12 4.705 -6.675 4.503
93 HD2 PRO 12 HD2 PRO 12 4.073 -5.869 1.906
94 HD3 PRO 12 HD1 PRO 12 3.073 -5.584 3.345
95 HA PRO 13 HA PRO 13 8.280 -1.811 0.778
96 HB2 PRO 13 HB2 PRO 13 9.918 -0.975 3.146
97 HB3 PRO 13 HB1 PRO 13 9.614 -0.103 1.627
98 HG2 PRO 13 HG2 PRO 13 8.329 0.607 3.787
99 HG3 PRO 13 HG1 PRO 13 7.473 0.476 2.237
100 HD2 PRO 13 HD2 PRO 13 7.394 -1.403 4.581
101 HD3 PRO 13 HD1 PRO 13 6.094 -0.899 3.472
102 HA PRO 14 HA PRO 14 10.884 -5.468 1.479
103 HB2 PRO 14 HB2 PRO 14 11.518 -5.958 -1.106
104 HB3 PRO 14 HB1 PRO 14 9.918 -6.333 -0.437
105 HG2 PRO 14 HG2 PRO 14 10.755 -4.105 -2.196
106 HG3 PRO 14 HG1 PRO 14 9.211 -4.968 -2.116
107 HD2 PRO 14 HD2 PRO 14 9.751 -2.452 -0.981
108 HD3 PRO 14 HD1 PRO 14 8.351 -3.481 -0.615
109 H ASN 15 HN ASN 15 13.119 -5.896 1.495
110 HA ASN 15 HA ASN 15 14.842 -3.650 1.553
111 HB2 ASN 15 HB2 ASN 15 16.509 -5.136 2.227
112 HB3 ASN 15 HB1 ASN 15 15.041 -5.965 2.740
113 HD21 ASN 15 HD21 ASN 15 15.066 -8.138 2.178
114 HD22 ASN 15 HD22 ASN 15 15.816 -8.781 0.797
115 H ALA 16 HN ALA 16 16.721 -3.251 0.214
116 HA ALA 16 HA ALA 16 16.499 -4.330 -2.526
117 HB1 ALA 16 HB1 ALA 16 15.864 -1.717 -1.779
118 HB2 ALA 16 HB2 ALA 16 16.173 -2.294 -3.416
119 HB3 ALA 16 HB3 ALA 16 17.485 -1.601 -2.463
120 H PHE 17 HN PHE 17 18.327 -4.353 0.096
121 HA PHE 17 HA PHE 17 20.861 -4.204 -1.426
122 HB2 PHE 17 HB2 PHE 17 20.471 -3.637 1.522
123 HB3 PHE 17 HB1 PHE 17 21.984 -3.521 0.625
124 HD1 PHE 17 HD1 PHE 17 18.618 -2.051 1.071
125 HD2 PHE 17 HD2 PHE 17 22.446 -1.657 -0.833
126 HE1 PHE 17 HE1 PHE 17 18.041 0.262 0.425
127 HE2 PHE 17 HE2 PHE 17 21.897 0.658 -1.494
128 HZ PHE 17 HZ PHE 17 19.680 1.646 -0.869
129 H VAL 18 HN VAL 18 20.901 -6.389 -1.953
130 HA VAL 18 HA VAL 18 21.486 -8.178 0.310
131 HB VAL 18 HB VAL 18 19.802 -9.097 -2.014
132 HG11 VAL 18 HG11 VAL 18 19.134 -10.745 -0.118
133 HG12 VAL 18 HG12 VAL 18 20.572 -10.145 0.706
134 HG13 VAL 18 HG13 VAL 18 20.721 -10.937 -0.863
135 HG21 VAL 18 HG21 VAL 18 17.882 -8.894 -0.344
136 HG22 VAL 18 HG22 VAL 18 18.475 -7.370 -1.007
137 HG23 VAL 18 HG23 VAL 18 18.946 -7.868 0.619
138 H GLU 19 HN GLU 19 23.689 -7.835 -0.361
139 HA GLU 19 HA GLU 19 24.731 -8.271 -2.906
140 HB2 GLU 19 HB2 GLU 19 26.850 -8.923 -1.672
141 HB3 GLU 19 HB1 GLU 19 26.149 -7.352 -1.210
142 HG2 GLU 19 HG2 GLU 19 25.914 -8.051 0.917
143 HG3 GLU 19 HG1 GLU 19 24.954 -9.432 0.388
144 H ILE 20 HN ILE 20 23.234 -10.042 -3.572
145 HA ILE 20 HA ILE 20 22.901 -12.228 -4.193
146 HB ILE 20 HB ILE 20 25.645 -12.831 -3.100
147 HG12 ILE 20 HG12 ILE 20 24.865 -11.413 -5.672
148 HG13 ILE 20 HG11 ILE 20 25.898 -10.790 -4.379
149 HG21 ILE 20 HG21 ILE 20 23.736 -14.360 -4.413
150 HG22 ILE 20 HG22 ILE 20 25.457 -14.731 -4.315
151 HG23 ILE 20 HG23 ILE 20 24.821 -13.864 -5.713
152 HD11 ILE 20 HD11 ILE 20 27.307 -11.619 -6.248
153 HD12 ILE 20 HD12 ILE 20 26.559 -13.216 -6.105
154 HD13 ILE 20 HD13 ILE 20 27.554 -12.586 -4.793
155 HN1 NH2 21 HT1 ILE 20 22.093 -14.177 -3.221
156 HN2 NH2 21 HT2 ILE 20 22.116 -14.427 -1.542
Start of MODEL 4
1 H1 ACE 0 HT1 GLY 1 -13.175 11.949 6.316
2 H2 ACE 0 HT2 GLY 1 -12.776 10.808 5.267
3 H3 ACE 0 HT3 GLY 1 -11.728 11.960 5.633
4 H GLY 1 HN GLY 1 -13.414 9.269 6.981
5 HA2 GLY 1 HA2 GLY 1 -11.062 8.585 8.357
6 HA3 GLY 1 HA1 GLY 1 -12.134 9.393 9.497
7 H GLN 2 HN GLN 2 -13.285 7.447 6.816
8 HA GLN 2 HA GLN 2 -14.044 5.308 8.705
9 HB2 GLN 2 HB2 GLN 2 -15.833 6.354 6.501
10 HB3 GLN 2 HB1 GLN 2 -16.243 5.170 7.752
11 HG2 GLN 2 HG2 GLN 2 -15.775 6.959 9.472
12 HG3 GLN 2 HG1 GLN 2 -15.628 8.111 8.146
13 HE21 GLN 2 HE21 GLN 2 -17.957 5.397 8.319
14 HE22 GLN 2 HE22 GLN 2 -19.339 6.382 8.335
15 H ARG 3 HN ARG 3 -11.924 5.704 6.576
16 HA ARG 3 HA ARG 3 -11.195 4.668 4.592
17 HB2 ARG 3 HB2 ARG 3 -10.860 2.214 5.057
18 HB3 ARG 3 HB1 ARG 3 -10.263 3.284 6.331
19 HG2 ARG 3 HG2 ARG 3 -13.072 2.178 6.448
20 HG3 ARG 3 HG1 ARG 3 -11.711 1.210 7.015
21 HD2 ARG 3 HD2 ARG 3 -11.552 3.936 8.017
22 HD3 ARG 3 HD1 ARG 3 -13.076 3.178 8.468
23 HE ARG 3 HE ARG 3 -11.366 1.249 9.145
24 HH11 ARG 3 HH21 ARG 3 -11.203 4.680 9.566
25 HH12 ARG 3 HH22 ARG 3 -10.263 4.595 11.019
26 HH21 ARG 3 HH11 ARG 3 -10.133 1.130 11.048
27 HH22 ARG 3 HH12 ARG 3 -9.657 2.586 11.857
28 H HIS 4 HN HIS 4 -13.432 5.419 3.661
29 HA HIS 4 HA HIS 4 -15.662 4.032 3.213
30 HB2 HIS 4 HB2 HIS 4 -14.760 4.634 0.585
31 HB3 HIS 4 HB1 HIS 4 -15.865 5.570 1.597
32 HD1 HIS 4 HD1 HIS 4 -12.062 4.991 1.812
33 HD2 HIS 4 HD2 HIS 4 -14.833 8.118 1.715
34 HE1 HIS 4 HE1 HIS 4 -10.741 7.135 2.059
35 HE2 HIS 4 HE2 HIS 4 -12.411 9.046 2.002
36 H SER 5 HN SER 5 -12.787 3.402 1.183
37 HA SER 5 HA SER 5 -13.875 0.807 0.425
38 HB2 SER 5 HB2 SER 5 -12.282 0.785 -1.270
39 HB3 SER 5 HB1 SER 5 -12.578 2.512 -1.082
40 HG SER 5 HG SER 5 -10.488 0.992 0.105
41 H ILE 6 HN ILE 6 -13.551 0.633 3.038
42 HA ILE 6 HA ILE 6 -11.554 0.159 4.559
43 HB ILE 6 HB ILE 6 -12.996 -1.166 5.605
44 HG12 ILE 6 HG12 ILE 6 -12.789 -3.229 3.373
45 HG13 ILE 6 HG11 ILE 6 -11.613 -3.086 4.689
46 HG21 ILE 6 HG21 ILE 6 -14.345 -1.246 2.915
47 HG22 ILE 6 HG22 ILE 6 -14.707 -0.190 4.280
48 HG23 ILE 6 HG23 ILE 6 -15.066 -1.912 4.379
49 HD11 ILE 6 HD11 ILE 6 -13.037 -4.645 5.616
50 HD12 ILE 6 HD12 ILE 6 -14.451 -4.012 4.775
51 HD13 ILE 6 HD13 ILE 6 -13.812 -3.167 6.185
52 H VAL 7 HN VAL 7 -12.092 -2.008 1.781
53 HA VAL 7 HA VAL 7 -9.925 -3.707 2.088
54 HB VAL 7 HB VAL 7 -10.024 -3.395 -0.629
55 HG11 VAL 7 HG11 VAL 7 -11.961 -5.137 -0.385
56 HG12 VAL 7 HG12 VAL 7 -11.654 -4.978 1.345
57 HG13 VAL 7 HG13 VAL 7 -10.372 -5.533 0.269
58 HG21 VAL 7 HG21 VAL 7 -12.847 -2.882 0.301
59 HG22 VAL 7 HG22 VAL 7 -12.173 -2.718 -1.321
60 HG23 VAL 7 HG23 VAL 7 -11.769 -1.537 -0.074
61 H GLN 8 HN GLN 8 -8.254 -2.359 3.005
62 HA GLN 8 HA GLN 8 -6.675 -0.984 0.903
63 HB2 GLN 8 HB2 GLN 8 -7.104 -0.053 3.768
64 HB3 GLN 8 HB1 GLN 8 -5.964 0.684 2.591
65 HG2 GLN 8 HG2 GLN 8 -8.881 0.333 1.894
66 HG3 GLN 8 HG1 GLN 8 -8.357 1.715 2.855
67 HE21 GLN 8 HE21 GLN 8 -6.245 2.811 1.802
68 HE22 GLN 8 HE22 GLN 8 -6.340 3.049 0.124
69 HA PRO 9 HA PRO 9 -4.262 -4.330 3.102
70 HB2 PRO 9 HB2 PRO 9 -3.342 -4.783 0.315
71 HB3 PRO 9 HB1 PRO 9 -3.965 -5.941 1.489
72 HG2 PRO 9 HG2 PRO 9 -5.409 -5.236 -0.601
73 HG3 PRO 9 HG1 PRO 9 -6.160 -5.504 0.985
74 HD2 PRO 9 HD2 PRO 9 -5.428 -2.917 -0.332
75 HD3 PRO 9 HD1 PRO 9 -6.922 -3.334 0.537
76 HA PRO 10 HA PRO 10 -0.750 -1.479 2.713
77 HB2 PRO 10 HB2 PRO 10 0.360 -1.902 5.090
78 HB3 PRO 10 HB1 PRO 10 -1.246 -1.143 4.992
79 HG2 PRO 10 HG2 PRO 10 -0.524 -3.977 5.598
80 HG3 PRO 10 HG1 PRO 10 -1.708 -2.921 6.401
81 HD2 PRO 10 HD2 PRO 10 -2.378 -4.793 4.431
82 HD3 PRO 10 HD1 PRO 10 -3.357 -3.366 4.843
83 H ALA 11 HN ALA 11 1.040 -1.973 1.531
84 HA ALA 11 HA ALA 11 2.166 -4.663 1.750
85 HB1 ALA 11 HB1 ALA 11 3.598 -3.351 -0.214
86 HB2 ALA 11 HB2 ALA 11 1.993 -2.635 -0.349
87 HB3 ALA 11 HB3 ALA 11 2.194 -4.382 -0.487
88 HA PRO 12 HA PRO 12 5.443 -2.876 4.217
89 HB2 PRO 12 HB2 PRO 12 6.941 -5.153 4.488
90 HB3 PRO 12 HB1 PRO 12 5.488 -4.825 5.447
91 HG2 PRO 12 HG2 PRO 12 5.885 -6.638 3.155
92 HG3 PRO 12 HG1 PRO 12 4.774 -6.766 4.526
93 HD2 PRO 12 HD2 PRO 12 4.075 -5.958 1.952
94 HD3 PRO 12 HD1 PRO 12 3.107 -5.680 3.414
95 HA PRO 13 HA PRO 13 8.227 -1.801 0.806
96 HB2 PRO 13 HB2 PRO 13 9.863 -0.942 3.167
97 HB3 PRO 13 HB1 PRO 13 9.525 -0.067 1.658
98 HG2 PRO 13 HG2 PRO 13 8.241 0.596 3.834
99 HG3 PRO 13 HG1 PRO 13 7.376 0.456 2.290
100 HD2 PRO 13 HD2 PRO 13 7.362 -1.443 4.619
101 HD3 PRO 13 HD1 PRO 13 6.040 -0.962 3.526
102 HA PRO 14 HA PRO 14 10.928 -5.396 1.458
103 HB2 PRO 14 HB2 PRO 14 11.553 -5.849 -1.136
104 HB3 PRO 14 HB1 PRO 14 9.970 -6.271 -0.455
105 HG2 PRO 14 HG2 PRO 14 10.732 -4.012 -2.208
106 HG3 PRO 14 HG1 PRO 14 9.211 -4.913 -2.116
107 HD2 PRO 14 HD2 PRO 14 9.702 -2.392 -0.971
108 HD3 PRO 14 HD1 PRO 14 8.330 -3.455 -0.601
109 H ASN 15 HN ASN 15 13.117 -5.589 1.748
110 HA ASN 15 HA ASN 15 14.786 -3.361 1.712
111 HB2 ASN 15 HB2 ASN 15 15.440 -5.162 3.091
112 HB3 ASN 15 HB1 ASN 15 15.359 -6.318 1.763
113 HD21 ASN 15 HD21 ASN 15 16.948 -3.086 1.919
114 HD22 ASN 15 HD22 ASN 15 18.494 -3.670 1.529
115 H ALA 16 HN ALA 16 16.610 -2.828 0.374
116 HA ALA 16 HA ALA 16 16.649 -4.026 -2.307
117 HB1 ALA 16 HB1 ALA 16 15.869 -1.250 -1.612
118 HB2 ALA 16 HB2 ALA 16 15.383 -2.249 -2.983
119 HB3 ALA 16 HB3 ALA 16 16.952 -1.440 -2.991
120 H PHE 17 HN PHE 17 18.395 -3.861 0.181
121 HA PHE 17 HA PHE 17 20.801 -2.734 -1.123
122 HB2 PHE 17 HB2 PHE 17 19.781 -2.570 1.636
123 HB3 PHE 17 HB1 PHE 17 21.496 -2.958 1.506
124 HD1 PHE 17 HD2 PHE 17 19.200 -0.817 -0.545
125 HD2 PHE 17 HD1 PHE 17 22.771 -1.032 1.827
126 HE1 PHE 17 HE2 PHE 17 19.680 1.544 -1.083
127 HE2 PHE 17 HE1 PHE 17 23.278 1.328 1.305
128 HZ PHE 17 HZ PHE 17 21.736 2.646 -0.156
129 H VAL 18 HN VAL 18 21.565 -4.538 -2.158
130 HA VAL 18 HA VAL 18 22.583 -6.667 -0.414
131 HB VAL 18 HB VAL 18 21.224 -7.382 -3.003
132 HG11 VAL 18 HG11 VAL 18 21.283 -9.191 -0.664
133 HG12 VAL 18 HG12 VAL 18 22.866 -8.794 -1.335
134 HG13 VAL 18 HG13 VAL 18 21.632 -9.531 -2.359
135 HG21 VAL 18 HG21 VAL 18 19.281 -8.078 -1.521
136 HG22 VAL 18 HG22 VAL 18 19.475 -6.337 -1.718
137 HG23 VAL 18 HG23 VAL 18 20.017 -7.122 -0.234
138 H GLU 19 HN GLU 19 24.587 -5.537 -0.846
139 HA GLU 19 HA GLU 19 25.664 -6.143 -3.535
140 HB2 GLU 19 HB2 GLU 19 27.196 -4.187 -3.183
141 HB3 GLU 19 HB1 GLU 19 25.475 -3.743 -3.311
142 HG2 GLU 19 HG2 GLU 19 25.536 -2.816 -1.262
143 HG3 GLU 19 HG1 GLU 19 26.090 -4.337 -0.562
144 H ILE 20 HN ILE 20 26.165 -6.125 -0.071
145 HA ILE 20 HA ILE 20 28.229 -8.140 -0.329
146 HB ILE 20 HB ILE 20 29.385 -5.867 -0.541
147 HG12 ILE 20 HG12 ILE 20 30.067 -7.809 1.694
148 HG13 ILE 20 HG11 ILE 20 30.645 -7.855 0.024
149 HG21 ILE 20 HG21 ILE 20 29.555 -4.479 1.356
150 HG22 ILE 20 HG22 ILE 20 28.973 -5.740 2.442
151 HG23 ILE 20 HG23 ILE 20 27.852 -4.939 1.341
152 HD11 ILE 20 HD11 ILE 20 32.388 -6.863 1.498
153 HD12 ILE 20 HD12 ILE 20 31.246 -5.607 1.996
154 HD13 ILE 20 HD13 ILE 20 31.798 -5.688 0.322
155 HN1 NH2 21 HT1 ILE 20 28.001 -9.554 1.407
156 HN2 NH2 21 HT2 ILE 20 27.208 -9.178 2.860
Start of MODEL 5
1 H1 ACE 0 HT1 GLY 1 -10.567 -0.163 10.533
2 H2 ACE 0 HT2 GLY 1 -9.494 0.898 11.067
3 H3 ACE 0 HT3 GLY 1 -10.997 1.361 10.769
4 H GLY 1 HN GLY 1 -12.045 -1.134 11.915
5 HA2 GLY 1 HA2 GLY 1 -11.161 -0.770 14.681
6 HA3 GLY 1 HA1 GLY 1 -12.831 -0.333 14.332
7 H GLN 2 HN GLN 2 -13.147 -2.417 12.298
8 HA GLN 2 HA GLN 2 -13.364 -4.742 14.110
9 HB2 GLN 2 HB2 GLN 2 -15.018 -3.973 11.692
10 HB3 GLN 2 HB1 GLN 2 -15.204 -5.480 12.603
11 HG2 GLN 2 HG2 GLN 2 -15.175 -3.175 14.376
12 HG3 GLN 2 HG1 GLN 2 -16.444 -3.028 13.163
13 HE21 GLN 2 HE21 GLN 2 -15.121 -5.425 15.510
14 HE22 GLN 2 HE22 GLN 2 -16.621 -6.154 15.827
15 H ARG 3 HN ARG 3 -13.599 -4.534 10.579
16 HA ARG 3 HA ARG 3 -11.224 -5.309 9.615
17 HB2 ARG 3 HB2 ARG 3 -10.711 -7.087 11.017
18 HB3 ARG 3 HB1 ARG 3 -12.403 -7.571 11.184
19 HG2 ARG 3 HG2 ARG 3 -11.157 -7.753 8.463
20 HG3 ARG 3 HG1 ARG 3 -10.695 -8.962 9.662
21 HD2 ARG 3 HD2 ARG 3 -13.597 -8.390 9.483
22 HD3 ARG 3 HD1 ARG 3 -12.892 -9.186 8.079
23 HE ARG 3 HE ARG 3 -13.049 -10.279 10.801
24 HH11 ARG 3 HH11 ARG 3 -12.042 -10.529 7.501
25 HH12 ARG 3 HH12 ARG 3 -11.779 -12.240 7.566
26 HH21 ARG 3 HH21 ARG 3 -12.708 -12.524 10.894
27 HH22 ARG 3 HH22 ARG 3 -12.156 -13.369 9.487
28 H HIS 4 HN HIS 4 -14.594 -6.303 9.764
29 HA HIS 4 HA HIS 4 -15.915 -7.269 8.050
30 HB2 HIS 4 HB2 HIS 4 -15.149 -4.438 7.444
31 HB3 HIS 4 HB1 HIS 4 -16.160 -5.321 6.294
32 HD1 HIS 4 HD1 HIS 4 -16.168 -5.199 10.144
33 HD2 HIS 4 HD2 HIS 4 -18.766 -4.690 6.912
34 HE1 HIS 4 HE1 HIS 4 -18.460 -4.756 11.122
35 HE2 HIS 4 HE2 HIS 4 -20.052 -4.445 9.171
36 H SER 5 HN SER 5 -14.308 -5.333 5.687
37 HA SER 5 HA SER 5 -12.869 -7.653 4.599
38 HB2 SER 5 HB2 SER 5 -14.068 -7.791 2.675
39 HB3 SER 5 HB1 SER 5 -15.341 -7.053 3.644
40 HG SER 5 HG SER 5 -15.187 -5.375 2.405
41 H ILE 6 HN ILE 6 -11.719 -5.504 5.893
42 HA ILE 6 HA ILE 6 -10.911 -3.236 5.032
43 HB ILE 6 HB ILE 6 -9.176 -3.713 6.336
44 HG12 ILE 6 HG12 ILE 6 -8.036 -5.612 4.249
45 HG13 ILE 6 HG11 ILE 6 -7.919 -3.853 4.100
46 HG21 ILE 6 HG21 ILE 6 -9.922 -6.558 5.705
47 HG22 ILE 6 HG22 ILE 6 -10.313 -5.618 7.144
48 HG23 ILE 6 HG23 ILE 6 -8.654 -6.138 6.857
49 HD11 ILE 6 HD11 ILE 6 -6.991 -3.991 6.553
50 HD12 ILE 6 HD12 ILE 6 -5.928 -4.354 5.193
51 HD13 ILE 6 HD13 ILE 6 -6.652 -5.667 6.124
52 H VAL 7 HN VAL 7 -10.941 -2.333 3.068
53 HA VAL 7 HA VAL 7 -9.972 -3.875 0.759
54 HB VAL 7 HB VAL 7 -10.965 -1.681 -0.384
55 HG11 VAL 7 HG11 VAL 7 -12.151 -4.236 0.547
56 HG12 VAL 7 HG12 VAL 7 -12.051 -3.568 -1.082
57 HG13 VAL 7 HG13 VAL 7 -13.298 -3.002 0.028
58 HG21 VAL 7 HG21 VAL 7 -11.387 -0.893 2.115
59 HG22 VAL 7 HG22 VAL 7 -12.822 -1.907 1.961
60 HG23 VAL 7 HG23 VAL 7 -12.578 -0.553 0.858
61 H GLN 8 HN GLN 8 -8.280 -2.512 2.848
62 HA GLN 8 HA GLN 8 -6.649 -0.922 0.951
63 HB2 GLN 8 HB2 GLN 8 -7.219 -0.220 3.856
64 HB3 GLN 8 HB1 GLN 8 -6.078 0.644 2.771
65 HG2 GLN 8 HG2 GLN 8 -9.046 0.280 2.211
66 HG3 GLN 8 HG1 GLN 8 -8.342 1.731 2.923
67 HE21 GLN 8 HE21 GLN 8 -5.868 1.036 1.064
68 HE22 GLN 8 HE22 GLN 8 -6.337 1.713 -0.422
69 HA PRO 9 HA PRO 9 -4.256 -4.334 3.074
70 HB2 PRO 9 HB2 PRO 9 -3.286 -4.762 0.309
71 HB3 PRO 9 HB1 PRO 9 -3.979 -5.922 1.440
72 HG2 PRO 9 HG2 PRO 9 -5.323 -5.134 -0.697
73 HG3 PRO 9 HG1 PRO 9 -6.139 -5.446 0.848
74 HD2 PRO 9 HD2 PRO 9 -5.321 -2.823 -0.345
75 HD3 PRO 9 HD1 PRO 9 -6.858 -3.252 0.441
76 HA PRO 10 HA PRO 10 -0.752 -1.465 2.764
77 HB2 PRO 10 HB2 PRO 10 0.356 -1.946 5.131
78 HB3 PRO 10 HB1 PRO 10 -1.249 -1.186 5.051
79 HG2 PRO 10 HG2 PRO 10 -0.527 -4.034 5.586
80 HG3 PRO 10 HG1 PRO 10 -1.713 -2.999 6.414
81 HD2 PRO 10 HD2 PRO 10 -2.382 -4.821 4.400
82 HD3 PRO 10 HD1 PRO 10 -3.359 -3.403 4.840
83 H ALA 11 HN ALA 11 1.037 -1.925 1.568
84 HA ALA 11 HA ALA 11 2.173 -4.616 1.724
85 HB1 ALA 11 HB1 ALA 11 1.955 -2.568 -0.337
86 HB2 ALA 11 HB2 ALA 11 2.228 -4.303 -0.502
87 HB3 ALA 11 HB3 ALA 11 3.590 -3.219 -0.211
88 HA PRO 12 HA PRO 12 5.448 -2.854 4.218
89 HB2 PRO 12 HB2 PRO 12 6.926 -5.143 4.491
90 HB3 PRO 12 HB1 PRO 12 5.470 -4.808 5.443
91 HG2 PRO 12 HG2 PRO 12 5.868 -6.615 3.147
92 HG3 PRO 12 HG1 PRO 12 4.749 -6.741 4.511
93 HD2 PRO 12 HD2 PRO 12 4.070 -5.918 1.936
94 HD3 PRO 12 HD1 PRO 12 3.094 -5.644 3.393
95 HA PRO 13 HA PRO 13 8.248 -1.791 0.816
96 HB2 PRO 13 HB2 PRO 13 9.889 -0.961 3.184
97 HB3 PRO 13 HB1 PRO 13 9.563 -0.076 1.678
98 HG2 PRO 13 HG2 PRO 13 8.281 0.591 3.855
99 HG3 PRO 13 HG1 PRO 13 7.418 0.466 2.308
100 HD2 PRO 13 HD2 PRO 13 7.379 -1.441 4.630
101 HD3 PRO 13 HD1 PRO 13 6.066 -0.944 3.535
102 HA PRO 14 HA PRO 14 10.913 -5.416 1.455
103 HB2 PRO 14 HB2 PRO 14 11.531 -5.868 -1.141
104 HB3 PRO 14 HB1 PRO 14 9.942 -6.273 -0.462
105 HG2 PRO 14 HG2 PRO 14 10.735 -4.014 -2.204
106 HG3 PRO 14 HG1 PRO 14 9.205 -4.899 -2.121
107 HD2 PRO 14 HD2 PRO 14 9.720 -2.389 -0.962
108 HD3 PRO 14 HD1 PRO 14 8.335 -3.440 -0.598
109 H ASN 15 HN ASN 15 13.068 -5.538 1.864
110 HA ASN 15 HA ASN 15 14.745 -3.279 1.562
111 HB2 ASN 15 HB2 ASN 15 15.290 -4.704 3.351
112 HB3 ASN 15 HB1 ASN 15 15.231 -6.146 2.338
113 HD21 ASN 15 HD21 ASN 15 17.149 -3.169 2.914
114 HD22 ASN 15 HD22 ASN 15 18.597 -3.803 2.295
115 H ALA 16 HN ALA 16 16.882 -3.328 0.442
116 HA ALA 16 HA ALA 16 16.591 -4.558 -2.232
117 HB1 ALA 16 HB1 ALA 16 18.012 -2.023 -1.388
118 HB2 ALA 16 HB2 ALA 16 16.543 -2.139 -2.358
119 HB3 ALA 16 HB3 ALA 16 18.078 -2.711 -3.011
120 H PHE 17 HN PHE 17 17.586 -6.269 -0.451
121 HA PHE 17 HA PHE 17 19.511 -7.324 0.377
122 HB2 PHE 17 HB2 PHE 17 20.419 -7.143 -2.477
123 HB3 PHE 17 HB1 PHE 17 20.478 -8.519 -1.374
124 HD1 PHE 17 HD1 PHE 17 18.365 -9.720 -0.762
125 HD2 PHE 17 HD2 PHE 17 18.479 -6.695 -3.808
126 HE1 PHE 17 HE1 PHE 17 16.194 -10.523 -1.620
127 HE2 PHE 17 HE2 PHE 17 16.309 -7.477 -4.686
128 HZ PHE 17 HZ PHE 17 15.139 -9.409 -3.598
129 H VAL 18 HN VAL 18 20.535 -5.740 1.647
130 HA VAL 18 HA VAL 18 22.240 -4.334 2.276
131 HB VAL 18 HB VAL 18 23.518 -5.741 -0.073
132 HG11 VAL 18 HG11 VAL 18 25.667 -4.874 0.918
133 HG12 VAL 18 HG12 VAL 18 24.703 -3.806 1.938
134 HG13 VAL 18 HG13 VAL 18 24.662 -3.624 0.184
135 HG21 VAL 18 HG21 VAL 18 22.823 -6.875 2.196
136 HG22 VAL 18 HG22 VAL 18 24.229 -6.025 2.836
137 HG23 VAL 18 HG23 VAL 18 24.423 -7.191 1.527
138 H GLU 19 HN GLU 19 21.270 -2.351 1.913
139 HA GLU 19 HA GLU 19 21.673 -1.118 -0.735
140 HB2 GLU 19 HB2 GLU 19 19.981 0.501 -0.074
141 HB3 GLU 19 HB1 GLU 19 19.358 -1.147 0.195
142 HG2 GLU 19 HG2 GLU 19 20.584 0.658 2.312
143 HG3 GLU 19 HG1 GLU 19 18.866 0.297 2.136
144 H ILE 20 HN ILE 20 23.411 -1.425 1.924
145 HA ILE 20 HA ILE 20 25.101 -0.221 2.906
146 HB ILE 20 HB ILE 20 24.773 1.819 0.712
147 HG12 ILE 20 HG12 ILE 20 26.049 -0.937 0.587
148 HG13 ILE 20 HG11 ILE 20 24.705 -0.339 -0.394
149 HG21 ILE 20 HG21 ILE 20 26.934 2.408 1.220
150 HG22 ILE 20 HG22 ILE 20 27.388 0.763 1.666
151 HG23 ILE 20 HG23 ILE 20 26.478 1.764 2.798
152 HD11 ILE 20 HD11 ILE 20 26.162 1.399 -1.389
153 HD12 ILE 20 HD12 ILE 20 26.814 -0.209 -1.698
154 HD13 ILE 20 HD13 ILE 20 27.530 0.811 -0.442
155 HN1 NH2 21 HT1 ILE 20 22.412 1.882 1.788
156 HN2 NH2 21 HT2 ILE 20 22.377 2.831 3.194
Start of MODEL 6
1 H1 ACE 0 HT1 GLY 1 -14.916 4.537 12.050
2 H2 ACE 0 HT2 GLY 1 -13.497 4.893 12.698
3 H3 ACE 0 HT3 GLY 1 -13.608 3.730 11.603
4 H GLY 1 HN GLY 1 -12.422 6.609 11.916
5 HA2 GLY 1 HA2 GLY 1 -13.061 7.126 9.081
6 HA3 GLY 1 HA1 GLY 1 -13.203 8.436 10.249
7 H GLN 2 HN GLN 2 -10.735 5.950 10.429
8 HA GLN 2 HA GLN 2 -8.710 7.806 9.385
9 HB2 GLN 2 HB2 GLN 2 -8.509 6.447 12.085
10 HB3 GLN 2 HB1 GLN 2 -7.267 7.455 11.330
11 HG2 GLN 2 HG2 GLN 2 -8.987 9.321 11.252
12 HG3 GLN 2 HG1 GLN 2 -10.018 8.310 12.265
13 HE21 GLN 2 HE21 GLN 2 -9.214 7.791 14.469
14 HE22 GLN 2 HE22 GLN 2 -8.042 8.779 15.197
15 H ARG 3 HN ARG 3 -6.891 5.745 10.928
16 HA ARG 3 HA ARG 3 -5.457 4.163 9.933
17 HB2 ARG 3 HB2 ARG 3 -6.595 1.930 9.960
18 HB3 ARG 3 HB1 ARG 3 -6.834 2.860 11.443
19 HG2 ARG 3 HG2 ARG 3 -8.828 3.105 9.198
20 HG3 ARG 3 HG1 ARG 3 -8.905 1.710 10.275
21 HD2 ARG 3 HD2 ARG 3 -8.569 4.288 11.663
22 HD3 ARG 3 HD1 ARG 3 -10.087 4.135 10.782
23 HE ARG 3 HE ARG 3 -9.866 1.773 12.162
24 HH11 ARG 3 HH21 ARG 3 -9.757 5.140 12.951
25 HH12 ARG 3 HH22 ARG 3 -10.410 4.930 14.541
26 HH21 ARG 3 HH11 ARG 3 -10.723 1.489 14.246
27 HH22 ARG 3 HH12 ARG 3 -10.957 2.863 15.275
28 H HIS 4 HN HIS 4 -7.267 2.013 8.400
29 HA HIS 4 HA HIS 4 -7.093 3.360 5.774
30 HB2 HIS 4 HB2 HIS 4 -6.550 0.425 6.051
31 HB3 HIS 4 HB1 HIS 4 -6.011 1.549 4.797
32 HD1 HIS 4 HD1 HIS 4 -5.596 1.594 8.627
33 HD2 HIS 4 HD2 HIS 4 -3.298 1.854 5.146
34 HE1 HIS 4 HE1 HIS 4 -3.206 1.981 9.365
35 HE2 HIS 4 HE2 HIS 4 -1.796 2.142 7.262
36 H SER 5 HN SER 5 -8.371 2.154 4.077
37 HA SER 5 HA SER 5 -11.030 1.646 5.130
38 HB2 SER 5 HB2 SER 5 -11.669 2.459 3.142
39 HB3 SER 5 HB1 SER 5 -9.972 2.674 2.724
40 HG SER 5 HG SER 5 -10.234 0.220 2.315
41 H ILE 6 HN ILE 6 -11.833 -0.297 5.550
42 HA ILE 6 HA ILE 6 -10.880 -2.630 5.921
43 HB ILE 6 HB ILE 6 -13.012 -3.244 5.861
44 HG12 ILE 6 HG12 ILE 6 -13.069 -2.898 2.833
45 HG13 ILE 6 HG11 ILE 6 -12.451 -4.343 3.645
46 HG21 ILE 6 HG21 ILE 6 -13.568 -0.934 5.940
47 HG22 ILE 6 HG22 ILE 6 -14.688 -1.688 4.807
48 HG23 ILE 6 HG23 ILE 6 -13.324 -0.749 4.204
49 HD11 ILE 6 HD11 ILE 6 -14.750 -4.329 4.881
50 HD12 ILE 6 HD12 ILE 6 -14.678 -4.920 3.221
51 HD13 ILE 6 HD13 ILE 6 -15.265 -3.290 3.553
52 H VAL 7 HN VAL 7 -11.495 -1.651 2.539
53 HA VAL 7 HA VAL 7 -9.900 -3.908 1.583
54 HB VAL 7 HB VAL 7 -10.564 -2.696 -0.682
55 HG11 VAL 7 HG11 VAL 7 -12.977 -3.849 -0.115
56 HG12 VAL 7 HG12 VAL 7 -11.955 -4.575 1.126
57 HG13 VAL 7 HG13 VAL 7 -11.536 -4.754 -0.578
58 HG21 VAL 7 HG21 VAL 7 -12.283 -1.180 -0.573
59 HG22 VAL 7 HG22 VAL 7 -11.596 -0.864 1.020
60 HG23 VAL 7 HG23 VAL 7 -12.991 -1.931 0.858
61 H GLN 8 HN GLN 8 -8.247 -2.363 2.983
62 HA GLN 8 HA GLN 8 -6.657 -0.990 0.889
63 HB2 GLN 8 HB2 GLN 8 -7.385 -0.016 3.661
64 HB3 GLN 8 HB1 GLN 8 -5.895 0.548 2.830
65 HG2 GLN 8 HG2 GLN 8 -8.688 0.683 1.635
66 HG3 GLN 8 HG1 GLN 8 -7.886 2.032 2.438
67 HE21 GLN 8 HE21 GLN 8 -5.300 1.938 1.480
68 HE22 GLN 8 HE22 GLN 8 -5.284 2.081 -0.212
69 HA PRO 9 HA PRO 9 -4.258 -4.321 3.123
70 HB2 PRO 9 HB2 PRO 9 -3.332 -4.806 0.343
71 HB3 PRO 9 HB1 PRO 9 -3.964 -5.951 1.526
72 HG2 PRO 9 HG2 PRO 9 -5.397 -5.260 -0.577
73 HG3 PRO 9 HG1 PRO 9 -6.156 -5.510 1.009
74 HD2 PRO 9 HD2 PRO 9 -5.407 -2.938 -0.328
75 HD3 PRO 9 HD1 PRO 9 -6.909 -3.341 0.537
76 HA PRO 10 HA PRO 10 -0.745 -1.475 2.714
77 HB2 PRO 10 HB2 PRO 10 0.367 -1.885 5.093
78 HB3 PRO 10 HB1 PRO 10 -1.236 -1.123 4.993
79 HG2 PRO 10 HG2 PRO 10 -0.521 -3.956 5.614
80 HG3 PRO 10 HG1 PRO 10 -1.702 -2.893 6.412
81 HD2 PRO 10 HD2 PRO 10 -2.379 -4.775 4.458
82 HD3 PRO 10 HD1 PRO 10 -3.353 -3.341 4.858
83 H ALA 11 HN ALA 11 1.040 -1.976 1.531
84 HA ALA 11 HA ALA 11 2.166 -4.665 1.766
85 HB1 ALA 11 HB1 ALA 11 2.134 -4.378 -0.476
86 HB2 ALA 11 HB2 ALA 11 3.595 -3.424 -0.219
87 HB3 ALA 11 HB3 ALA 11 2.029 -2.623 -0.341
88 HA PRO 12 HA PRO 12 5.454 -2.861 4.206
89 HB2 PRO 12 HB2 PRO 12 6.948 -5.139 4.489
90 HB3 PRO 12 HB1 PRO 12 5.502 -4.800 5.453
91 HG2 PRO 12 HG2 PRO 12 5.883 -6.633 3.174
92 HG3 PRO 12 HG1 PRO 12 4.778 -6.746 4.553
93 HD2 PRO 12 HD2 PRO 12 4.068 -5.961 1.976
94 HD3 PRO 12 HD1 PRO 12 3.108 -5.666 3.441
95 HA PRO 13 HA PRO 13 8.223 -1.814 0.776
96 HB2 PRO 13 HB2 PRO 13 9.874 -0.952 3.124
97 HB3 PRO 13 HB1 PRO 13 9.534 -0.082 1.612
98 HG2 PRO 13 HG2 PRO 13 8.263 0.597 3.790
99 HG3 PRO 13 HG1 PRO 13 7.389 0.453 2.252
100 HD2 PRO 13 HD2 PRO 13 7.377 -1.432 4.591
101 HD3 PRO 13 HD1 PRO 13 6.054 -0.953 3.498
102 HA PRO 14 HA PRO 14 10.913 -5.417 1.428
103 HB2 PRO 14 HB2 PRO 14 11.519 -5.886 -1.167
104 HB3 PRO 14 HB1 PRO 14 9.938 -6.296 -0.476
105 HG2 PRO 14 HG2 PRO 14 10.703 -4.047 -2.241
106 HG3 PRO 14 HG1 PRO 14 9.179 -4.941 -2.141
107 HD2 PRO 14 HD2 PRO 14 9.683 -2.418 -1.006
108 HD3 PRO 14 HD1 PRO 14 8.310 -3.477 -0.624
109 H ASN 15 HN ASN 15 13.179 -5.883 1.212
110 HA ASN 15 HA ASN 15 14.873 -3.619 1.403
111 HB2 ASN 15 HB2 ASN 15 15.690 -6.489 0.905
112 HB3 ASN 15 HB1 ASN 15 16.680 -5.212 1.608
113 HD21 ASN 15 HD21 ASN 15 15.956 -4.355 3.772
114 HD22 ASN 15 HD22 ASN 15 15.069 -5.372 4.802
115 H ALA 16 HN ALA 16 16.583 -2.954 -0.005
116 HA ALA 16 HA ALA 16 16.229 -3.797 -2.819
117 HB1 ALA 16 HB1 ALA 16 16.174 -1.633 -3.548
118 HB2 ALA 16 HB2 ALA 16 17.228 -1.058 -2.256
119 HB3 ALA 16 HB3 ALA 16 15.520 -1.358 -1.934
120 H PHE 17 HN PHE 17 18.193 -4.255 -0.386
121 HA PHE 17 HA PHE 17 20.716 -3.461 -1.621
122 HB2 PHE 17 HB2 PHE 17 19.979 -4.782 0.988
123 HB3 PHE 17 HB1 PHE 17 21.652 -4.681 0.436
124 HD1 PHE 17 HD2 PHE 17 18.642 -2.441 0.654
125 HD2 PHE 17 HD1 PHE 17 22.881 -2.863 1.190
126 HE1 PHE 17 HE2 PHE 17 18.755 -0.110 1.462
127 HE2 PHE 17 HE1 PHE 17 23.026 -0.535 2.002
128 HZ PHE 17 HZ PHE 17 20.958 0.871 2.146
129 H VAL 18 HN VAL 18 20.314 -4.811 -3.546
130 HA VAL 18 HA VAL 18 21.448 -7.480 -3.144
131 HB VAL 18 HB VAL 18 18.911 -7.063 -4.740
132 HG11 VAL 18 HG11 VAL 18 20.625 -8.891 -5.363
133 HG12 VAL 18 HG12 VAL 18 18.959 -9.405 -5.098
134 HG13 VAL 18 HG13 VAL 18 20.170 -9.656 -3.840
135 HG21 VAL 18 HG21 VAL 18 18.441 -6.837 -2.348
136 HG22 VAL 18 HG22 VAL 18 19.362 -8.302 -2.005
137 HG23 VAL 18 HG23 VAL 18 17.854 -8.401 -2.915
138 H GLU 19 HN GLU 19 23.290 -6.505 -4.140
139 HA GLU 19 HA GLU 19 22.959 -5.859 -7.003
140 HB2 GLU 19 HB2 GLU 19 25.087 -4.689 -6.852
141 HB3 GLU 19 HB1 GLU 19 24.000 -4.109 -5.565
142 HG2 GLU 19 HG2 GLU 19 26.096 -6.274 -5.184
143 HG3 GLU 19 HG1 GLU 19 26.337 -4.580 -4.763
144 H ILE 20 HN ILE 20 25.151 -6.380 -8.211
145 HA ILE 20 HA ILE 20 26.342 -8.904 -7.377
146 HB ILE 20 HB ILE 20 24.300 -9.635 -8.533
147 HG12 ILE 20 HG12 ILE 20 26.904 -10.009 -10.052
148 HG13 ILE 20 HG11 ILE 20 26.252 -11.045 -8.776
149 HG21 ILE 20 HG21 ILE 20 23.656 -8.866 -10.616
150 HG22 ILE 20 HG22 ILE 20 25.309 -8.506 -11.111
151 HG23 ILE 20 HG23 ILE 20 24.461 -7.419 -10.011
152 HD11 ILE 20 HD11 ILE 20 24.916 -10.586 -11.480
153 HD12 ILE 20 HD12 ILE 20 24.296 -11.607 -10.181
154 HD13 ILE 20 HD13 ILE 20 25.790 -12.051 -11.006
155 HN1 NH2 21 HT1 ILE 20 26.253 -6.124 -9.541
156 HN2 NH2 21 HT2 ILE 20 27.838 -6.302 -10.121
Start of MODEL 7
1 H1 ACE 0 HT1 GLY 1 -20.179 10.196 7.746
2 H2 ACE 0 HT2 GLY 1 -21.059 9.446 6.641
3 H3 ACE 0 HT3 GLY 1 -19.499 9.118 6.779
4 H GLY 1 HN GLY 1 -18.710 7.924 8.593
5 HA2 GLY 1 HA2 GLY 1 -19.399 6.844 10.686
6 HA3 GLY 1 HA1 GLY 1 -21.010 6.689 9.994
7 H GLN 2 HN GLN 2 -18.769 6.140 7.596
8 HA GLN 2 HA GLN 2 -18.708 3.230 8.112
9 HB2 GLN 2 HB2 GLN 2 -19.802 4.722 5.798
10 HB3 GLN 2 HB1 GLN 2 -18.813 3.305 5.410
11 HG2 GLN 2 HG2 GLN 2 -21.029 3.202 7.464
12 HG3 GLN 2 HG1 GLN 2 -21.323 2.890 5.754
13 HE21 GLN 2 HE21 GLN 2 -21.738 0.612 5.979
14 HE22 GLN 2 HE22 GLN 2 -20.538 -0.486 6.467
15 H ARG 3 HN ARG 3 -17.474 5.504 5.652
16 HA ARG 3 HA ARG 3 -15.401 5.359 4.542
17 HB2 ARG 3 HB2 ARG 3 -13.608 6.179 6.101
18 HB3 ARG 3 HB1 ARG 3 -15.087 7.147 6.138
19 HG2 ARG 3 HG2 ARG 3 -14.730 4.849 8.063
20 HG3 ARG 3 HG1 ARG 3 -13.991 6.412 8.411
21 HD2 ARG 3 HD2 ARG 3 -16.749 6.715 7.530
22 HD3 ARG 3 HD1 ARG 3 -16.637 5.667 8.941
23 HE ARG 3 HE ARG 3 -15.944 8.504 8.822
24 HH11 ARG 3 HH11 ARG 3 -15.876 5.487 10.515
25 HH12 ARG 3 HH12 ARG 3 -15.600 6.206 12.067
26 HH21 ARG 3 HH21 ARG 3 -15.582 9.455 10.854
27 HH22 ARG 3 HH22 ARG 3 -15.433 8.452 12.258
28 H HIS 4 HN HIS 4 -13.219 4.663 6.825
29 HA HIS 4 HA HIS 4 -11.670 2.884 6.709
30 HB2 HIS 4 HB2 HIS 4 -12.691 2.515 8.807
31 HB3 HIS 4 HB1 HIS 4 -14.190 1.932 8.072
32 HD1 HIS 4 HD1 HIS 4 -10.517 0.874 7.592
33 HD2 HIS 4 HD2 HIS 4 -14.245 -0.789 8.479
34 HE1 HIS 4 HE1 HIS 4 -10.168 -1.626 7.773
35 HE2 HIS 4 HE2 HIS 4 -12.426 -2.653 8.312
36 H SER 5 HN SER 5 -11.849 2.778 4.284
37 HA SER 5 HA SER 5 -13.507 0.781 3.079
38 HB2 SER 5 HB2 SER 5 -11.916 1.115 1.124
39 HB3 SER 5 HB1 SER 5 -12.762 2.557 1.678
40 HG SER 5 HG SER 5 -10.395 2.696 1.341
41 H ILE 6 HN ILE 6 -12.831 -0.819 4.845
42 HA ILE 6 HA ILE 6 -10.731 -2.118 5.502
43 HB ILE 6 HB ILE 6 -12.171 -3.763 5.887
44 HG12 ILE 6 HG12 ILE 6 -12.515 -4.222 2.895
45 HG13 ILE 6 HG11 ILE 6 -11.178 -4.888 3.844
46 HG21 ILE 6 HG21 ILE 6 -13.901 -2.152 5.642
47 HG22 ILE 6 HG22 ILE 6 -14.463 -3.627 4.856
48 HG23 ILE 6 HG23 ILE 6 -13.863 -2.283 3.884
49 HD11 ILE 6 HD11 ILE 6 -13.958 -5.322 4.847
50 HD12 ILE 6 HD12 ILE 6 -12.539 -6.357 4.992
51 HD13 ILE 6 HD13 ILE 6 -13.415 -6.273 3.464
52 H VAL 7 HN VAL 7 -11.845 -2.302 2.125
53 HA VAL 7 HA VAL 7 -9.791 -3.951 1.145
54 HB VAL 7 HB VAL 7 -10.365 -2.438 -1.017
55 HG11 VAL 7 HG11 VAL 7 -11.767 -4.713 0.340
56 HG12 VAL 7 HG12 VAL 7 -10.878 -4.697 -1.184
57 HG13 VAL 7 HG13 VAL 7 -12.500 -4.009 -1.102
58 HG21 VAL 7 HG21 VAL 7 -12.366 -1.293 -0.865
59 HG22 VAL 7 HG22 VAL 7 -11.789 -1.064 0.785
60 HG23 VAL 7 HG23 VAL 7 -12.976 -2.320 0.432
61 H GLN 8 HN GLN 8 -8.243 -2.636 2.738
62 HA GLN 8 HA GLN 8 -6.633 -0.898 0.965
63 HB2 GLN 8 HB2 GLN 8 -7.471 -0.294 3.823
64 HB3 GLN 8 HB1 GLN 8 -6.117 0.539 2.985
65 HG2 GLN 8 HG2 GLN 8 -8.820 0.367 1.663
66 HG3 GLN 8 HG1 GLN 8 -8.540 1.577 2.913
67 HE21 GLN 8 HE21 GLN 8 -6.548 3.019 2.537
68 HE22 GLN 8 HE22 GLN 8 -6.156 3.410 0.932
69 HA PRO 9 HA PRO 9 -4.247 -4.312 3.118
70 HB2 PRO 9 HB2 PRO 9 -3.286 -4.792 0.360
71 HB3 PRO 9 HB1 PRO 9 -3.976 -5.930 1.514
72 HG2 PRO 9 HG2 PRO 9 -5.325 -5.182 -0.634
73 HG3 PRO 9 HG1 PRO 9 -6.137 -5.466 0.918
74 HD2 PRO 9 HD2 PRO 9 -5.322 -2.865 -0.323
75 HD3 PRO 9 HD1 PRO 9 -6.859 -3.279 0.471
76 HA PRO 10 HA PRO 10 -0.747 -1.448 2.741
77 HB2 PRO 10 HB2 PRO 10 0.369 -1.882 5.115
78 HB3 PRO 10 HB1 PRO 10 -1.237 -1.124 5.024
79 HG2 PRO 10 HG2 PRO 10 -0.513 -3.960 5.613
80 HG3 PRO 10 HG1 PRO 10 -1.696 -2.910 6.424
81 HD2 PRO 10 HD2 PRO 10 -2.370 -4.772 4.448
82 HD3 PRO 10 HD1 PRO 10 -3.347 -3.345 4.864
83 H ALA 11 HN ALA 11 1.041 -1.930 1.551
84 HA ALA 11 HA ALA 11 2.170 -4.619 1.751
85 HB1 ALA 11 HB1 ALA 11 3.587 -3.264 -0.211
86 HB2 ALA 11 HB2 ALA 11 1.957 -2.602 -0.341
87 HB3 ALA 11 HB3 ALA 11 2.217 -4.341 -0.480
88 HA PRO 12 HA PRO 12 5.471 -2.841 4.198
89 HB2 PRO 12 HB2 PRO 12 6.944 -5.127 4.488
90 HB3 PRO 12 HB1 PRO 12 5.488 -4.788 5.438
91 HG2 PRO 12 HG2 PRO 12 5.887 -6.606 3.148
92 HG3 PRO 12 HG1 PRO 12 4.775 -6.732 4.519
93 HD2 PRO 12 HD2 PRO 12 4.078 -5.921 1.946
94 HD3 PRO 12 HD1 PRO 12 3.111 -5.641 3.408
95 HA PRO 13 HA PRO 13 8.251 -1.819 0.769
96 HB2 PRO 13 HB2 PRO 13 9.915 -0.979 3.116
97 HB3 PRO 13 HB1 PRO 13 9.582 -0.104 1.606
98 HG2 PRO 13 HG2 PRO 13 8.321 0.587 3.787
99 HG3 PRO 13 HG1 PRO 13 7.444 0.454 2.248
100 HD2 PRO 13 HD2 PRO 13 7.414 -1.434 4.586
101 HD3 PRO 13 HD1 PRO 13 6.095 -0.939 3.496
102 HA PRO 14 HA PRO 14 10.911 -5.447 1.417
103 HB2 PRO 14 HB2 PRO 14 11.470 -5.952 -1.178
104 HB3 PRO 14 HB1 PRO 14 9.887 -6.321 -0.467
105 HG2 PRO 14 HG2 PRO 14 10.684 -4.100 -2.256
106 HG3 PRO 14 HG1 PRO 14 9.145 -4.965 -2.141
107 HD2 PRO 14 HD2 PRO 14 9.703 -2.446 -1.022
108 HD3 PRO 14 HD1 PRO 14 8.311 -3.477 -0.628
109 H ASN 15 HN ASN 15 13.179 -6.024 0.905
110 HA ASN 15 HA ASN 15 14.955 -3.865 1.288
111 HB2 ASN 15 HB2 ASN 15 15.819 -5.866 2.060
112 HB3 ASN 15 HB1 ASN 15 15.257 -6.773 0.658
113 HD21 ASN 15 HD21 ASN 15 17.072 -7.505 -0.457
114 HD22 ASN 15 HD22 ASN 15 18.449 -6.570 -0.785
115 H ALA 16 HN ALA 16 16.815 -3.354 -0.166
116 HA ALA 16 HA ALA 16 15.928 -3.283 -2.989
117 HB1 ALA 16 HB1 ALA 16 16.329 -1.070 -3.064
118 HB2 ALA 16 HB2 ALA 16 17.872 -1.243 -2.228
119 HB3 ALA 16 HB3 ALA 16 16.375 -1.128 -1.303
120 H PHE 17 HN PHE 17 17.673 -5.231 -1.481
121 HA PHE 17 HA PHE 17 19.870 -6.075 -1.566
122 HB2 PHE 17 HB2 PHE 17 18.846 -5.983 -4.410
123 HB3 PHE 17 HB1 PHE 17 20.261 -6.907 -3.908
124 HD1 PHE 17 HD1 PHE 17 19.820 -8.353 -1.662
125 HD2 PHE 17 HD2 PHE 17 16.826 -7.130 -4.486
126 HE1 PHE 17 HE1 PHE 17 18.365 -10.193 -0.892
127 HE2 PHE 17 HE2 PHE 17 15.348 -8.962 -3.736
128 HZ PHE 17 HZ PHE 17 16.105 -10.522 -1.932
129 H VAL 18 HN VAL 18 21.215 -4.365 -0.914
130 HA VAL 18 HA VAL 18 22.738 -2.641 -1.147
131 HB VAL 18 HB VAL 18 23.364 -4.366 -3.555
132 HG11 VAL 18 HG11 VAL 18 25.696 -3.259 -3.100
133 HG12 VAL 18 HG12 VAL 18 24.743 -1.991 -2.327
134 HG13 VAL 18 HG13 VAL 18 24.492 -2.369 -4.031
135 HG21 VAL 18 HG21 VAL 18 25.287 -4.962 -1.861
136 HG22 VAL 18 HG22 VAL 18 23.701 -5.710 -1.669
137 HG23 VAL 18 HG23 VAL 18 24.159 -4.343 -0.654
138 H GLU 19 HN GLU 19 21.006 -1.081 -1.561
139 HA GLU 19 HA GLU 19 20.165 0.723 -2.704
140 HB2 GLU 19 HB2 GLU 19 22.551 1.143 -3.222
141 HB3 GLU 19 HB1 GLU 19 22.396 0.115 -4.670
142 HG2 GLU 19 HG2 GLU 19 20.390 2.307 -4.360
143 HG3 GLU 19 HG1 GLU 19 22.038 2.795 -4.754
144 H ILE 20 HN ILE 20 21.313 -0.877 -5.626
145 HA ILE 20 HA ILE 20 18.972 -2.302 -6.272
146 HB ILE 20 HB ILE 20 18.066 0.066 -6.303
147 HG12 ILE 20 HG12 ILE 20 18.061 -1.621 -8.830
148 HG13 ILE 20 HG11 ILE 20 16.908 -1.697 -7.493
149 HG21 ILE 20 HG21 ILE 20 18.685 1.497 -8.157
150 HG22 ILE 20 HG22 ILE 20 19.741 0.251 -8.822
151 HG23 ILE 20 HG23 ILE 20 20.161 1.043 -7.303
152 HD11 ILE 20 HD11 ILE 20 15.931 -0.388 -9.364
153 HD12 ILE 20 HD12 ILE 20 17.303 0.727 -9.302
154 HD13 ILE 20 HD13 ILE 20 16.181 0.628 -7.944
155 HN1 NH2 21 HT1 ILE 20 19.210 -3.364 -8.354
156 HN2 NH2 21 HT2 ILE 20 20.636 -3.218 -9.262
Start of MODEL 8
1 H1 ACE 0 HT1 GLY 1 -18.331 6.668 4.944
2 H2 ACE 0 HT2 GLY 1 -17.659 7.492 6.141
3 H3 ACE 0 HT3 GLY 1 -16.743 6.640 5.141
4 H GLY 1 HN GLY 1 -15.798 9.023 5.262
5 HA2 GLY 1 HA2 GLY 1 -17.281 10.542 3.289
6 HA3 GLY 1 HA1 GLY 1 -15.817 11.059 4.120
7 H GLN 2 HN GLN 2 -15.225 8.024 2.980
8 HA GLN 2 HA GLN 2 -14.176 9.024 0.401
9 HB2 GLN 2 HB2 GLN 2 -12.818 7.473 2.577
10 HB3 GLN 2 HB1 GLN 2 -12.340 7.202 0.894
11 HG2 GLN 2 HG2 GLN 2 -12.483 9.942 2.182
12 HG3 GLN 2 HG1 GLN 2 -11.004 8.990 2.070
13 HE21 GLN 2 HE21 GLN 2 -12.956 11.251 0.396
14 HE22 GLN 2 HE22 GLN 2 -12.218 11.106 -1.125
15 H ARG 3 HN ARG 3 -16.375 7.068 1.753
16 HA ARG 3 HA ARG 3 -17.743 5.518 0.689
17 HB2 ARG 3 HB2 ARG 3 -17.453 5.017 -1.498
18 HB3 ARG 3 HB1 ARG 3 -16.229 6.282 -1.442
19 HG2 ARG 3 HG2 ARG 3 -14.636 4.304 -0.685
20 HG3 ARG 3 HG1 ARG 3 -15.878 3.289 -1.421
21 HD2 ARG 3 HD2 ARG 3 -14.133 5.368 -2.718
22 HD3 ARG 3 HD1 ARG 3 -14.413 3.699 -3.206
23 HE ARG 3 HE ARG 3 -16.865 4.756 -3.507
24 HH11 ARG 3 HH11 ARG 3 -13.715 5.879 -4.394
25 HH12 ARG 3 HH12 ARG 3 -14.266 6.752 -5.785
26 HH21 ARG 3 HH21 ARG 3 -17.596 5.901 -5.329
27 HH22 ARG 3 HH22 ARG 3 -16.463 6.765 -6.314
28 H HIS 4 HN HIS 4 -17.379 3.015 -0.016
29 HA HIS 4 HA HIS 4 -16.219 1.812 2.339
30 HB2 HIS 4 HB2 HIS 4 -16.959 -0.333 1.118
31 HB3 HIS 4 HB1 HIS 4 -18.224 0.788 1.636
32 HD1 HIS 4 HD1 HIS 4 -15.973 0.734 -1.490
33 HD2 HIS 4 HD2 HIS 4 -20.013 0.947 -0.449
34 HE1 HIS 4 HE1 HIS 4 -17.263 0.990 -3.651
35 HE2 HIS 4 HE2 HIS 4 -19.721 1.120 -3.037
36 H SER 5 HN SER 5 -14.013 2.653 1.765
37 HA SER 5 HA SER 5 -12.658 1.040 -0.288
38 HB2 SER 5 HB2 SER 5 -11.206 2.762 -0.534
39 HB3 SER 5 HB1 SER 5 -12.452 3.702 0.283
40 HG SER 5 HG SER 5 -10.086 2.563 1.304
41 H ILE 6 HN ILE 6 -13.234 1.110 3.033
42 HA ILE 6 HA ILE 6 -11.336 0.528 4.629
43 HB ILE 6 HB ILE 6 -12.914 -0.598 5.710
44 HG12 ILE 6 HG12 ILE 6 -12.870 -2.787 3.589
45 HG13 ILE 6 HG11 ILE 6 -11.718 -2.694 4.929
46 HG21 ILE 6 HG21 ILE 6 -15.029 -1.193 4.483
47 HG22 ILE 6 HG22 ILE 6 -14.219 -0.696 2.997
48 HG23 ILE 6 HG23 ILE 6 -14.491 0.474 4.289
49 HD11 ILE 6 HD11 ILE 6 -14.589 -2.486 5.653
50 HD12 ILE 6 HD12 ILE 6 -13.272 -3.310 6.489
51 HD13 ILE 6 HD13 ILE 6 -14.037 -4.062 5.089
52 H VAL 7 HN VAL 7 -12.020 -1.762 1.982
53 HA VAL 7 HA VAL 7 -9.937 -3.565 2.487
54 HB VAL 7 HB VAL 7 -10.126 -3.744 -0.186
55 HG11 VAL 7 HG11 VAL 7 -10.815 -5.403 1.580
56 HG12 VAL 7 HG12 VAL 7 -11.889 -5.362 0.182
57 HG13 VAL 7 HG13 VAL 7 -12.367 -4.569 1.683
58 HG21 VAL 7 HG21 VAL 7 -12.075 -2.829 -1.077
59 HG22 VAL 7 HG22 VAL 7 -11.602 -1.560 0.054
60 HG23 VAL 7 HG23 VAL 7 -12.861 -2.713 0.498
61 H GLN 8 HN GLN 8 -8.218 -2.084 3.156
62 HA GLN 8 HA GLN 8 -6.692 -1.076 0.816
63 HB2 GLN 8 HB2 GLN 8 -7.113 0.182 3.542
64 HB3 GLN 8 HB1 GLN 8 -5.738 0.629 2.476
65 HG2 GLN 8 HG2 GLN 8 -8.647 0.688 1.601
66 HG3 GLN 8 HG1 GLN 8 -7.786 2.095 2.221
67 HE21 GLN 8 HE21 GLN 8 -5.215 1.495 0.976
68 HE22 GLN 8 HE22 GLN 8 -5.409 1.708 -0.697
69 HA PRO 9 HA PRO 9 -4.275 -4.344 3.103
70 HB2 PRO 9 HB2 PRO 9 -3.377 -4.795 0.297
71 HB3 PRO 9 HB1 PRO 9 -3.931 -5.964 1.494
72 HG2 PRO 9 HG2 PRO 9 -5.463 -5.332 -0.542
73 HG3 PRO 9 HG1 PRO 9 -6.157 -5.567 1.075
74 HD2 PRO 9 HD2 PRO 9 -5.519 -3.009 -0.341
75 HD3 PRO 9 HD1 PRO 9 -6.967 -3.423 0.605
76 HA PRO 10 HA PRO 10 -0.754 -1.506 2.714
77 HB2 PRO 10 HB2 PRO 10 0.345 -1.918 5.098
78 HB3 PRO 10 HB1 PRO 10 -1.256 -1.153 4.989
79 HG2 PRO 10 HG2 PRO 10 -0.549 -3.985 5.617
80 HG3 PRO 10 HG1 PRO 10 -1.733 -2.920 6.406
81 HD2 PRO 10 HD2 PRO 10 -2.400 -4.803 4.448
82 HD3 PRO 10 HD1 PRO 10 -3.376 -3.370 4.843
83 H ALA 11 HN ALA 11 1.036 -2.010 1.541
84 HA ALA 11 HA ALA 11 2.159 -4.699 1.781
85 HB1 ALA 11 HB1 ALA 11 2.235 -4.453 -0.454
86 HB2 ALA 11 HB2 ALA 11 3.589 -3.353 -0.188
87 HB3 ALA 11 HB3 ALA 11 1.951 -2.715 -0.340
88 HA PRO 12 HA PRO 12 5.431 -2.911 4.249
89 HB2 PRO 12 HB2 PRO 12 6.951 -5.182 4.486
90 HB3 PRO 12 HB1 PRO 12 5.509 -4.865 5.465
91 HG2 PRO 12 HG2 PRO 12 5.887 -6.667 3.163
92 HG3 PRO 12 HG1 PRO 12 4.786 -6.801 4.542
93 HD2 PRO 12 HD2 PRO 12 4.067 -5.989 1.976
94 HD3 PRO 12 HD1 PRO 12 3.109 -5.715 3.444
95 HA PRO 13 HA PRO 13 8.196 -1.769 0.844
96 HB2 PRO 13 HB2 PRO 13 9.831 -0.932 3.213
97 HB3 PRO 13 HB1 PRO 13 9.484 -0.039 1.717
98 HG2 PRO 13 HG2 PRO 13 8.200 0.586 3.904
99 HG3 PRO 13 HG1 PRO 13 7.332 0.460 2.361
100 HD2 PRO 13 HD2 PRO 13 7.337 -1.469 4.665
101 HD3 PRO 13 HD1 PRO 13 6.011 -0.985 3.579
102 HA PRO 14 HA PRO 14 10.927 -5.351 1.434
103 HB2 PRO 14 HB2 PRO 14 11.545 -5.762 -1.168
104 HB3 PRO 14 HB1 PRO 14 9.967 -6.203 -0.489
105 HG2 PRO 14 HG2 PRO 14 10.713 -3.911 -2.207
106 HG3 PRO 14 HG1 PRO 14 9.199 -4.825 -2.131
107 HD2 PRO 14 HD2 PRO 14 9.667 -2.320 -0.945
108 HD3 PRO 14 HD1 PRO 14 8.306 -3.403 -0.587
109 H ASN 15 HN ASN 15 13.032 -5.297 1.995
110 HA ASN 15 HA ASN 15 14.670 -3.029 1.544
111 HB2 ASN 15 HB2 ASN 15 15.221 -4.206 3.477
112 HB3 ASN 15 HB1 ASN 15 15.124 -5.772 2.673
113 HD21 ASN 15 HD21 ASN 15 17.046 -2.719 2.389
114 HD22 ASN 15 HD22 ASN 15 18.513 -3.512 2.078
115 H ALA 16 HN ALA 16 16.855 -3.135 0.528
116 HA ALA 16 HA ALA 16 16.608 -4.265 -2.153
117 HB1 ALA 16 HB1 ALA 16 18.342 -2.790 -2.784
118 HB2 ALA 16 HB2 ALA 16 18.900 -2.604 -1.121
119 HB3 ALA 16 HB3 ALA 16 17.378 -1.873 -1.628
120 H PHE 17 HN PHE 17 16.817 -6.490 -1.234
121 HA PHE 17 HA PHE 17 19.476 -7.253 -0.319
122 HB2 PHE 17 HB2 PHE 17 17.039 -8.235 0.288
123 HB3 PHE 17 HB1 PHE 17 17.478 -9.327 -1.025
124 HD1 PHE 17 HD2 PHE 17 19.466 -10.770 -0.860
125 HD2 PHE 17 HD1 PHE 17 18.276 -8.211 2.377
126 HE1 PHE 17 HE2 PHE 17 20.963 -12.016 0.657
127 HE2 PHE 17 HE1 PHE 17 19.764 -9.440 3.917
128 HZ PHE 17 HZ PHE 17 21.129 -11.363 3.069
129 H VAL 18 HN VAL 18 20.503 -6.511 -2.347
130 HA VAL 18 HA VAL 18 20.357 -8.618 -4.417
131 HB VAL 18 HB VAL 18 21.117 -5.796 -5.094
132 HG11 VAL 18 HG11 VAL 18 21.535 -7.381 -6.825
133 HG12 VAL 18 HG12 VAL 18 20.023 -6.591 -7.272
134 HG13 VAL 18 HG13 VAL 18 19.999 -8.200 -6.549
135 HG21 VAL 18 HG21 VAL 18 19.041 -5.139 -4.425
136 HG22 VAL 18 HG22 VAL 18 18.457 -6.798 -4.300
137 HG23 VAL 18 HG23 VAL 18 18.487 -5.991 -5.868
138 H GLU 19 HN GLU 19 22.111 -9.710 -3.443
139 HA GLU 19 HA GLU 19 24.680 -8.262 -3.413
140 HB2 GLU 19 HB2 GLU 19 25.456 -10.371 -2.181
141 HB3 GLU 19 HB1 GLU 19 24.311 -9.314 -1.317
142 HG2 GLU 19 HG2 GLU 19 22.841 -11.009 -1.165
143 HG3 GLU 19 HG1 GLU 19 22.814 -11.168 -2.920
144 H ILE 20 HN ILE 20 22.903 -10.785 -4.994
145 HA ILE 20 HA ILE 20 24.955 -11.010 -7.026
146 HB ILE 20 HB ILE 20 25.444 -12.681 -5.062
147 HG12 ILE 20 HG12 ILE 20 25.312 -13.415 -8.006
148 HG13 ILE 20 HG11 ILE 20 26.684 -12.720 -7.134
149 HG21 ILE 20 HG21 ILE 20 24.219 -14.713 -5.102
150 HG22 ILE 20 HG22 ILE 20 23.448 -14.312 -6.636
151 HG23 ILE 20 HG23 ILE 20 22.987 -13.453 -5.166
152 HD11 ILE 20 HD11 ILE 20 27.015 -15.168 -7.417
153 HD12 ILE 20 HD12 ILE 20 25.493 -15.470 -6.568
154 HD13 ILE 20 HD13 ILE 20 26.852 -14.738 -5.714
155 HN1 NH2 21 HT1 ILE 20 23.990 -11.532 -9.021
156 HN2 NH2 21 HT2 ILE 20 22.369 -12.010 -9.187
Start of MODEL 9
1 H1 ACE 0 HT1 GLY 1 -22.296 -10.971 8.849
2 H2 ACE 0 HT2 GLY 1 -22.210 -11.770 10.233
3 H3 ACE 0 HT3 GLY 1 -21.174 -12.093 9.056
4 H GLY 1 HN GLY 1 -19.651 -11.698 10.976
5 HA2 GLY 1 HA2 GLY 1 -19.455 -8.919 11.525
6 HA3 GLY 1 HA1 GLY 1 -18.254 -10.135 11.951
7 H GLN 2 HN GLN 2 -17.794 -11.049 9.256
8 HA GLN 2 HA GLN 2 -16.110 -8.826 8.335
9 HB2 GLN 2 HB2 GLN 2 -16.081 -11.708 7.415
10 HB3 GLN 2 HB1 GLN 2 -14.837 -10.478 7.141
11 HG2 GLN 2 HG2 GLN 2 -14.916 -10.348 9.808
12 HG3 GLN 2 HG1 GLN 2 -15.482 -12.008 9.625
13 HE21 GLN 2 HE21 GLN 2 -13.973 -12.808 7.353
14 HE22 GLN 2 HE22 GLN 2 -12.326 -12.796 7.762
15 H ARG 3 HN ARG 3 -15.891 -10.143 5.685
16 HA ARG 3 HA ARG 3 -17.009 -10.302 3.653
17 HB2 ARG 3 HB2 ARG 3 -19.261 -10.491 3.582
18 HB3 ARG 3 HB1 ARG 3 -19.139 -10.541 5.339
19 HG2 ARG 3 HG2 ARG 3 -19.263 -7.905 5.138
20 HG3 ARG 3 HG1 ARG 3 -19.948 -8.253 3.551
21 HD2 ARG 3 HD2 ARG 3 -20.985 -9.249 6.216
22 HD3 ARG 3 HD1 ARG 3 -21.752 -8.057 5.170
23 HE ARG 3 HE ARG 3 -21.282 -10.656 3.946
24 HH11 ARG 3 HH21 ARG 3 -23.409 -8.565 5.702
25 HH12 ARG 3 HH22 ARG 3 -24.848 -9.404 5.229
26 HH21 ARG 3 HH11 ARG 3 -23.167 -11.761 3.322
27 HH22 ARG 3 HH12 ARG 3 -24.711 -11.213 3.882
28 H HIS 4 HN HIS 4 -17.026 -7.516 5.713
29 HA HIS 4 HA HIS 4 -16.427 -5.827 3.395
30 HB2 HIS 4 HB2 HIS 4 -18.905 -5.678 3.889
31 HB3 HIS 4 HB1 HIS 4 -18.476 -4.979 5.456
32 HD1 HIS 4 HD1 HIS 4 -17.132 -4.325 1.906
33 HD2 HIS 4 HD2 HIS 4 -18.706 -2.251 5.174
34 HE1 HIS 4 HE1 HIS 4 -17.065 -1.867 1.302
35 HE2 HIS 4 HE2 HIS 4 -18.019 -0.592 3.279
36 H SER 5 HN SER 5 -14.314 -6.187 4.512
37 HA SER 5 HA SER 5 -14.000 -4.363 6.820
38 HB2 SER 5 HB2 SER 5 -12.535 -5.814 7.767
39 HB3 SER 5 HB1 SER 5 -13.333 -7.001 6.738
40 HG SER 5 HG SER 5 -11.547 -5.778 5.249
41 H ILE 6 HN ILE 6 -12.514 -2.750 6.718
42 HA ILE 6 HA ILE 6 -11.866 -1.233 4.758
43 HB ILE 6 HB ILE 6 -10.471 -0.400 6.275
44 HG12 ILE 6 HG12 ILE 6 -8.572 -2.753 5.933
45 HG13 ILE 6 HG11 ILE 6 -8.673 -1.431 4.761
46 HG21 ILE 6 HG21 ILE 6 -11.494 -1.736 7.932
47 HG22 ILE 6 HG22 ILE 6 -9.760 -1.852 8.225
48 HG23 ILE 6 HG23 ILE 6 -10.610 -3.174 7.427
49 HD11 ILE 6 HD11 ILE 6 -6.915 -1.257 6.664
50 HD12 ILE 6 HD12 ILE 6 -8.292 -0.852 7.689
51 HD13 ILE 6 HD13 ILE 6 -7.899 0.162 6.300
52 H VAL 7 HN VAL 7 -11.522 -1.641 2.662
53 HA VAL 7 HA VAL 7 -9.921 -3.945 1.849
54 HB VAL 7 HB VAL 7 -10.607 -2.859 -0.486
55 HG11 VAL 7 HG11 VAL 7 -12.393 -4.395 1.419
56 HG12 VAL 7 HG12 VAL 7 -11.317 -5.061 0.192
57 HG13 VAL 7 HG13 VAL 7 -12.761 -4.173 -0.291
58 HG21 VAL 7 HG21 VAL 7 -12.708 -1.663 -0.350
59 HG22 VAL 7 HG22 VAL 7 -11.555 -0.838 0.700
60 HG23 VAL 7 HG23 VAL 7 -12.783 -1.897 1.396
61 H GLN 8 HN GLN 8 -8.244 -2.320 3.119
62 HA GLN 8 HA GLN 8 -6.710 -1.037 0.925
63 HB2 GLN 8 HB2 GLN 8 -7.049 -0.041 3.780
64 HB3 GLN 8 HB1 GLN 8 -5.923 0.654 2.566
65 HG2 GLN 8 HG2 GLN 8 -8.923 0.393 2.150
66 HG3 GLN 8 HG1 GLN 8 -8.140 1.858 2.740
67 HE21 GLN 8 HE21 GLN 8 -9.583 1.388 0.122
68 HE22 GLN 8 HE22 GLN 8 -8.452 1.794 -1.078
69 HA PRO 9 HA PRO 9 -4.247 -4.378 3.065
70 HB2 PRO 9 HB2 PRO 9 -3.340 -4.735 0.253
71 HB3 PRO 9 HB1 PRO 9 -3.911 -5.942 1.406
72 HG2 PRO 9 HG2 PRO 9 -5.414 -5.232 -0.632
73 HG3 PRO 9 HG1 PRO 9 -6.129 -5.539 0.964
74 HD2 PRO 9 HD2 PRO 9 -5.478 -2.919 -0.330
75 HD3 PRO 9 HD1 PRO 9 -6.943 -3.378 0.568
76 HA PRO 10 HA PRO 10 -0.766 -1.479 2.751
77 HB2 PRO 10 HB2 PRO 10 0.354 -1.960 5.113
78 HB3 PRO 10 HB1 PRO 10 -1.257 -1.213 5.041
79 HG2 PRO 10 HG2 PRO 10 -0.509 -4.056 5.565
80 HG3 PRO 10 HG1 PRO 10 -1.700 -3.035 6.400
81 HD2 PRO 10 HD2 PRO 10 -2.359 -4.857 4.381
82 HD3 PRO 10 HD1 PRO 10 -3.349 -3.450 4.832
83 H ALA 11 HN ALA 11 1.022 -1.920 1.548
84 HA ALA 11 HA ALA 11 2.177 -4.604 1.688
85 HB1 ALA 11 HB1 ALA 11 2.075 -4.202 -0.546
86 HB2 ALA 11 HB2 ALA 11 3.594 -3.352 -0.262
87 HB3 ALA 11 HB3 ALA 11 2.078 -2.452 -0.333
88 HA PRO 12 HA PRO 12 5.437 -2.815 4.190
89 HB2 PRO 12 HB2 PRO 12 6.904 -5.108 4.498
90 HB3 PRO 12 HB1 PRO 12 5.448 -4.753 5.441
91 HG2 PRO 12 HG2 PRO 12 5.844 -6.596 3.174
92 HG3 PRO 12 HG1 PRO 12 4.718 -6.694 4.534
93 HD2 PRO 12 HD2 PRO 12 4.060 -5.903 1.942
94 HD3 PRO 12 HD1 PRO 12 3.075 -5.607 3.388
95 HA PRO 13 HA PRO 13 8.254 -1.808 0.786
96 HB2 PRO 13 HB2 PRO 13 9.893 -0.961 3.149
97 HB3 PRO 13 HB1 PRO 13 9.577 -0.091 1.632
98 HG2 PRO 13 HG2 PRO 13 8.294 0.608 3.796
99 HG3 PRO 13 HG1 PRO 13 7.433 0.471 2.249
100 HD2 PRO 13 HD2 PRO 13 7.378 -1.409 4.593
101 HD3 PRO 13 HD1 PRO 13 6.070 -0.916 3.488
102 HA PRO 14 HA PRO 14 10.895 -5.442 1.471
103 HB2 PRO 14 HB2 PRO 14 11.515 -5.927 -1.118
104 HB3 PRO 14 HB1 PRO 14 9.922 -6.313 -0.438
105 HG2 PRO 14 HG2 PRO 14 10.732 -4.081 -2.205
106 HG3 PRO 14 HG1 PRO 14 9.195 -4.955 -2.114
107 HD2 PRO 14 HD2 PRO 14 9.725 -2.434 -0.983
108 HD3 PRO 14 HD1 PRO 14 8.333 -3.473 -0.609
109 H ASN 15 HN ASN 15 13.135 -5.853 1.464
110 HA ASN 15 HA ASN 15 14.863 -3.656 1.624
111 HB2 ASN 15 HB2 ASN 15 15.488 -5.660 2.744
112 HB3 ASN 15 HB1 ASN 15 15.388 -6.606 1.260
113 HD21 ASN 15 HD21 ASN 15 17.340 -6.902 0.169
114 HD22 ASN 15 HD22 ASN 15 18.727 -5.949 0.394
115 H ALA 16 HN ALA 16 16.840 -3.318 0.288
116 HA ALA 16 HA ALA 16 16.081 -3.165 -2.522
117 HB1 ALA 16 HB1 ALA 16 17.070 -1.166 -2.033
118 HB2 ALA 16 HB2 ALA 16 18.534 -2.054 -2.456
119 HB3 ALA 16 HB3 ALA 16 18.080 -1.856 -0.763
120 H PHE 17 HN PHE 17 16.204 -5.622 -2.568
121 HA PHE 17 HA PHE 17 17.416 -7.614 -2.851
122 HB2 PHE 17 HB2 PHE 17 18.816 -6.011 -4.971
123 HB3 PHE 17 HB1 PHE 17 18.199 -7.662 -5.052
124 HD1 PHE 17 HD1 PHE 17 15.489 -7.360 -3.936
125 HD2 PHE 17 HD2 PHE 17 17.654 -4.838 -6.654
126 HE1 PHE 17 HE1 PHE 17 13.348 -6.527 -4.844
127 HE2 PHE 17 HE2 PHE 17 15.530 -3.988 -7.581
128 HZ PHE 17 HZ PHE 17 13.345 -4.832 -6.685
129 H VAL 18 HN VAL 18 18.696 -7.758 -0.967
130 HA VAL 18 HA VAL 18 20.623 -7.527 0.331
131 HB VAL 18 HB VAL 18 21.617 -8.590 -2.323
132 HG11 VAL 18 HG11 VAL 18 22.895 -8.676 0.429
133 HG12 VAL 18 HG12 VAL 18 23.471 -7.723 -0.939
134 HG13 VAL 18 HG13 VAL 18 23.508 -9.484 -1.013
135 HG21 VAL 18 HG21 VAL 18 20.052 -10.140 -1.545
136 HG22 VAL 18 HG22 VAL 18 20.384 -9.776 0.148
137 HG23 VAL 18 HG23 VAL 18 21.531 -10.732 -0.789
138 H GLU 19 HN GLU 19 21.025 -5.397 0.777
139 HA GLU 19 HA GLU 19 22.016 -3.513 -1.104
140 HB2 GLU 19 HB2 GLU 19 22.618 -2.200 0.998
141 HB3 GLU 19 HB1 GLU 19 20.906 -2.657 0.823
142 HG2 GLU 19 HG2 GLU 19 21.002 -3.776 2.773
143 HG3 GLU 19 HG1 GLU 19 22.277 -4.810 2.126
144 H ILE 20 HN ILE 20 24.140 -2.401 -0.880
145 HA ILE 20 HA ILE 20 26.313 -4.084 0.130
146 HB ILE 20 HB ILE 20 25.924 -4.766 -2.240
147 HG12 ILE 20 HG12 ILE 20 28.484 -3.262 -1.587
148 HG13 ILE 20 HG11 ILE 20 28.155 -4.978 -1.311
149 HG21 ILE 20 HG21 ILE 20 25.711 -3.249 -3.909
150 HG22 ILE 20 HG22 ILE 20 27.078 -2.298 -3.327
151 HG23 ILE 20 HG23 ILE 20 25.476 -2.060 -2.629
152 HD11 ILE 20 HD11 ILE 20 28.240 -3.655 -4.058
153 HD12 ILE 20 HD12 ILE 20 27.907 -5.357 -3.744
154 HD13 ILE 20 HD13 ILE 20 29.502 -4.696 -3.384
155 HN1 NH2 21 HT1 ILE 20 26.604 -2.274 1.657
156 HN2 NH2 21 HT2 ILE 20 27.302 -0.818 1.134
Start of MODEL 10
1 H1 ACE 0 HT1 GLY 1 -13.781 -11.097 9.988
2 H2 ACE 0 HT2 GLY 1 -14.220 -11.893 8.671
3 H3 ACE 0 HT3 GLY 1 -14.219 -12.633 10.090
4 H GLY 1 HN GLY 1 -15.951 -10.499 8.078
5 HA2 GLY 1 HA2 GLY 1 -18.293 -10.259 8.245
6 HA3 GLY 1 HA1 GLY 1 -18.282 -11.358 9.623
7 H GLN 2 HN GLN 2 -16.160 -8.573 9.275
8 HA GLN 2 HA GLN 2 -17.185 -7.498 11.788
9 HB2 GLN 2 HB2 GLN 2 -14.915 -6.465 10.071
10 HB3 GLN 2 HB1 GLN 2 -15.248 -6.064 11.763
11 HG2 GLN 2 HG2 GLN 2 -14.891 -8.944 11.018
12 HG3 GLN 2 HG1 GLN 2 -13.460 -7.923 11.139
13 HE21 GLN 2 HE21 GLN 2 -14.468 -10.152 12.971
14 HE22 GLN 2 HE22 GLN 2 -14.532 -9.435 14.508
15 H ARG 3 HN ARG 3 -17.661 -7.071 8.463
16 HA ARG 3 HA ARG 3 -19.230 -5.698 7.434
17 HB2 ARG 3 HB2 ARG 3 -20.603 -4.380 8.657
18 HB3 ARG 3 HB1 ARG 3 -19.845 -5.174 10.035
19 HG2 ARG 3 HG2 ARG 3 -18.053 -3.238 9.799
20 HG3 ARG 3 HG1 ARG 3 -19.339 -2.425 8.906
21 HD2 ARG 3 HD2 ARG 3 -20.805 -2.462 10.771
22 HD3 ARG 3 HD1 ARG 3 -19.822 -3.649 11.623
23 HE ARG 3 HE ARG 3 -19.256 -0.781 11.373
24 HH11 ARG 3 HH11 ARG 3 -18.348 -3.951 12.418
25 HH12 ARG 3 HH12 ARG 3 -17.147 -3.391 13.533
26 HH21 ARG 3 HH21 ARG 3 -17.682 -0.037 12.835
27 HH22 ARG 3 HH22 ARG 3 -16.770 -1.175 13.770
28 H HIS 4 HN HIS 4 -18.953 -3.981 6.035
29 HA HIS 4 HA HIS 4 -17.401 -2.824 4.681
30 HB2 HIS 4 HB2 HIS 4 -18.742 -1.102 5.670
31 HB3 HIS 4 HB1 HIS 4 -17.844 -1.190 7.191
32 HD1 HIS 4 HD1 HIS 4 -16.668 -0.841 3.539
33 HD2 HIS 4 HD2 HIS 4 -16.212 1.025 7.249
34 HE1 HIS 4 HE1 HIS 4 -15.020 1.050 3.199
35 HE2 HIS 4 HE2 HIS 4 -14.731 2.195 5.446
36 H SER 5 HN SER 5 -15.680 -4.496 5.005
37 HA SER 5 HA SER 5 -13.569 -3.807 6.889
38 HB2 SER 5 HB2 SER 5 -12.506 -5.835 6.170
39 HB3 SER 5 HB1 SER 5 -14.224 -6.183 6.354
40 HG SER 5 HG SER 5 -13.586 -6.986 4.386
41 H ILE 6 HN ILE 6 -13.343 -1.643 5.814
42 HA ILE 6 HA ILE 6 -12.675 -0.732 3.511
43 HB ILE 6 HB ILE 6 -11.759 0.864 4.758
44 HG12 ILE 6 HG12 ILE 6 -9.412 -0.935 5.471
45 HG13 ILE 6 HG11 ILE 6 -9.555 -0.131 3.901
46 HG21 ILE 6 HG21 ILE 6 -11.141 0.348 7.159
47 HG22 ILE 6 HG22 ILE 6 -11.560 -1.328 6.808
48 HG23 ILE 6 HG23 ILE 6 -12.784 -0.065 6.673
49 HD11 ILE 6 HD11 ILE 6 -8.199 1.182 5.523
50 HD12 ILE 6 HD12 ILE 6 -9.611 1.293 6.574
51 HD13 ILE 6 HD13 ILE 6 -9.635 2.052 4.982
52 H VAL 7 HN VAL 7 -11.888 -1.697 1.742
53 HA VAL 7 HA VAL 7 -9.898 -3.783 1.895
54 HB VAL 7 HB VAL 7 -10.070 -3.325 -0.736
55 HG11 VAL 7 HG11 VAL 7 -11.978 -4.914 -0.746
56 HG12 VAL 7 HG12 VAL 7 -12.215 -4.621 0.977
57 HG13 VAL 7 HG13 VAL 7 -10.734 -5.394 0.409
58 HG21 VAL 7 HG21 VAL 7 -11.598 -1.278 0.050
59 HG22 VAL 7 HG22 VAL 7 -12.837 -2.532 0.078
60 HG23 VAL 7 HG23 VAL 7 -11.966 -2.186 -1.417
61 H GLN 8 HN GLN 8 -8.259 -2.401 2.952
62 HA GLN 8 HA GLN 8 -6.657 -0.974 0.905
63 HB2 GLN 8 HB2 GLN 8 -7.194 -0.078 3.762
64 HB3 GLN 8 HB1 GLN 8 -5.981 0.661 2.663
65 HG2 GLN 8 HG2 GLN 8 -8.873 0.363 1.831
66 HG3 GLN 8 HG1 GLN 8 -8.344 1.744 2.790
67 HE21 GLN 8 HE21 GLN 8 -9.305 2.003 0.071
68 HE22 GLN 8 HE22 GLN 8 -8.006 2.539 -0.882
69 HA PRO 9 HA PRO 9 -4.257 -4.309 3.136
70 HB2 PRO 9 HB2 PRO 9 -3.328 -4.815 0.365
71 HB3 PRO 9 HB1 PRO 9 -3.981 -5.947 1.549
72 HG2 PRO 9 HG2 PRO 9 -5.387 -5.249 -0.573
73 HG3 PRO 9 HG1 PRO 9 -6.162 -5.497 1.006
74 HD2 PRO 9 HD2 PRO 9 -5.386 -2.926 -0.320
75 HD3 PRO 9 HD1 PRO 9 -6.899 -3.324 0.527
76 HA PRO 10 HA PRO 10 -0.741 -1.470 2.706
77 HB2 PRO 10 HB2 PRO 10 0.375 -1.870 5.084
78 HB3 PRO 10 HB1 PRO 10 -1.228 -1.106 4.982
79 HG2 PRO 10 HG2 PRO 10 -0.515 -3.936 5.619
80 HG3 PRO 10 HG1 PRO 10 -1.693 -2.868 6.413
81 HD2 PRO 10 HD2 PRO 10 -2.374 -4.759 4.468
82 HD3 PRO 10 HD1 PRO 10 -3.347 -3.323 4.864
83 H ALA 11 HN ALA 11 1.041 -1.981 1.521
84 HA ALA 11 HA ALA 11 2.165 -4.669 1.770
85 HB1 ALA 11 HB1 ALA 11 2.241 -4.444 -0.465
86 HB2 ALA 11 HB2 ALA 11 3.578 -3.320 -0.217
87 HB3 ALA 11 HB3 ALA 11 1.929 -2.711 -0.365
88 HA PRO 12 HA PRO 12 5.461 -2.854 4.192
89 HB2 PRO 12 HB2 PRO 12 6.955 -5.130 4.486
90 HB3 PRO 12 HB1 PRO 12 5.508 -4.788 5.447
91 HG2 PRO 12 HG2 PRO 12 5.892 -6.629 3.175
92 HG3 PRO 12 HG1 PRO 12 4.788 -6.740 4.554
93 HD2 PRO 12 HD2 PRO 12 4.074 -5.964 1.976
94 HD3 PRO 12 HD1 PRO 12 3.115 -5.667 3.440
95 HA PRO 13 HA PRO 13 8.226 -1.827 0.752
96 HB2 PRO 13 HB2 PRO 13 9.879 -0.947 3.092
97 HB3 PRO 13 HB1 PRO 13 9.535 -0.089 1.576
98 HG2 PRO 13 HG2 PRO 13 8.266 0.603 3.751
99 HG3 PRO 13 HG1 PRO 13 7.391 0.448 2.214
100 HD2 PRO 13 HD2 PRO 13 7.385 -1.423 4.566
101 HD3 PRO 13 HD1 PRO 13 6.059 -0.950 3.474
102 HA PRO 14 HA PRO 14 10.919 -5.424 1.424
103 HB2 PRO 14 HB2 PRO 14 11.527 -5.906 -1.168
104 HB3 PRO 14 HB1 PRO 14 9.947 -6.315 -0.474
105 HG2 PRO 14 HG2 PRO 14 10.708 -4.075 -2.253
106 HG3 PRO 14 HG1 PRO 14 9.184 -4.971 -2.145
107 HD2 PRO 14 HD2 PRO 14 9.687 -2.440 -1.028
108 HD3 PRO 14 HD1 PRO 14 8.315 -3.497 -0.639
109 H ASN 15 HN ASN 15 13.202 -5.971 0.948
110 HA ASN 15 HA ASN 15 14.922 -3.735 1.300
111 HB2 ASN 15 HB2 ASN 15 15.444 -5.957 2.213
112 HB3 ASN 15 HB1 ASN 15 15.596 -6.597 0.577
113 HD21 ASN 15 HD21 ASN 15 17.836 -6.976 0.401
114 HD22 ASN 15 HD22 ASN 15 19.021 -5.791 0.670
115 H ALA 16 HN ALA 16 16.817 -3.278 -0.101
116 HA ALA 16 HA ALA 16 15.948 -3.113 -2.898
117 HB1 ALA 16 HB1 ALA 16 16.713 -1.064 -1.662
118 HB2 ALA 16 HB2 ALA 16 17.612 -1.387 -3.143
119 HB3 ALA 16 HB3 ALA 16 18.321 -1.781 -1.577
120 H PHE 17 HN PHE 17 16.390 -5.480 -3.103
121 HA PHE 17 HA PHE 17 18.597 -6.938 -2.844
122 HB2 PHE 17 HB2 PHE 17 16.943 -6.608 -5.347
123 HB3 PHE 17 HB1 PHE 17 18.208 -7.828 -5.202
124 HD1 PHE 17 HD1 PHE 17 18.115 -9.253 -2.954
125 HD2 PHE 17 HD2 PHE 17 14.781 -7.183 -4.695
126 HE1 PHE 17 HE1 PHE 17 16.572 -10.732 -1.718
127 HE2 PHE 17 HE2 PHE 17 13.213 -8.647 -3.471
128 HZ PHE 17 HZ PHE 17 14.096 -10.443 -1.964
129 H VAL 18 HN VAL 18 20.451 -5.625 -2.626
130 HA VAL 18 HA VAL 18 22.367 -4.561 -3.322
131 HB VAL 18 HB VAL 18 21.801 -5.942 -5.952
132 HG11 VAL 18 HG11 VAL 18 24.209 -4.725 -4.623
133 HG12 VAL 18 HG12 VAL 18 23.647 -4.539 -6.284
134 HG13 VAL 18 HG13 VAL 18 24.412 -6.044 -5.776
135 HG21 VAL 18 HG21 VAL 18 21.671 -7.695 -4.385
136 HG22 VAL 18 HG22 VAL 18 22.860 -6.951 -3.317
137 HG23 VAL 18 HG23 VAL 18 23.378 -7.693 -4.830
138 H GLU 19 HN GLU 19 21.311 -2.484 -3.196
139 HA GLU 19 HA GLU 19 19.830 -1.163 -5.071
140 HB2 GLU 19 HB2 GLU 19 21.048 0.934 -4.323
141 HB3 GLU 19 HB1 GLU 19 20.362 -0.059 -3.014
142 HG2 GLU 19 HG2 GLU 19 23.247 -0.183 -3.964
143 HG3 GLU 19 HG1 GLU 19 22.699 0.675 -2.525
144 H ILE 20 HN ILE 20 20.784 0.795 -6.407
145 HA ILE 20 HA ILE 20 22.915 -0.307 -8.142
146 HB ILE 20 HB ILE 20 21.833 0.823 -10.018
147 HG12 ILE 20 HG12 ILE 20 19.882 1.719 -7.871
148 HG13 ILE 20 HG11 ILE 20 20.880 2.743 -8.910
149 HG21 ILE 20 HG21 ILE 20 19.624 -0.630 -8.578
150 HG22 ILE 20 HG22 ILE 20 21.080 -1.494 -9.073
151 HG23 ILE 20 HG23 ILE 20 20.070 -0.704 -10.284
152 HD11 ILE 20 HD11 ILE 20 19.683 1.928 -10.919
153 HD12 ILE 20 HD12 ILE 20 18.553 2.668 -9.784
154 HD13 ILE 20 HD13 ILE 20 18.657 0.907 -9.909
155 HN1 NH2 21 HT1 ILE 20 22.972 2.256 -9.681
156 HN2 NH2 21 HT2 ILE 20 23.784 3.364 -8.685