Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
612706 | 5x3l RC | 36057 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -15.212 -1.625 1.994
2 H2 GLY 1 HT2 GLY 1 -15.629 -2.989 1.084
3 H3 GLY 1 HT3 GLY 1 -16.020 -1.444 0.518
4 HA2 GLY 1 HA1 GLY 1 -13.341 -1.270 0.871
5 HA3 GLY 1 HA2 GLY 1 -13.559 -2.917 0.298
6 H LEU 2 HN LEU 2 -12.368 -2.222 -1.596
7 HA LEU 2 HA LEU 2 -12.259 -1.659 -3.797
8 HB2 LEU 2 HB2 LEU 2 -15.259 -1.391 -3.557
9 HB3 LEU 2 HB1 LEU 2 -14.360 -1.438 -5.060
10 HG LEU 2 HG LEU 2 -15.334 -3.591 -4.723
11 HD11 LEU 2 1HD1 LEU 2 -13.479 -4.928 -5.035
12 HD12 LEU 2 2HD1 LEU 2 -12.516 -4.052 -3.846
13 HD13 LEU 2 3HD1 LEU 2 -12.848 -3.327 -5.418
14 HD21 LEU 2 1HD2 LEU 2 -15.502 -3.200 -2.182
15 HD22 LEU 2 2HD2 LEU 2 -13.894 -3.922 -2.117
16 HD23 LEU 2 3HD2 LEU 2 -15.249 -4.844 -2.766
17 H GLY 3 HN GLY 3 -11.125 0.248 -3.112
18 HA2 GLY 3 HA2 GLY 3 -10.928 2.504 -3.951
19 HA3 GLY 3 HA1 GLY 3 -12.658 2.697 -3.698
20 H SER 4 HN SER 4 -12.729 1.513 -1.095
21 HA SER 4 HA SER 4 -11.826 3.792 0.451
22 HB2 SER 4 HB2 SER 4 -13.042 1.394 1.752
23 HB3 SER 4 HB1 SER 4 -13.307 3.106 2.082
24 HG SER 4 HG SER 4 -14.390 3.121 -0.041
25 H VAL 5 HN VAL 5 -11.094 0.433 -0.018
26 HA VAL 5 HA VAL 5 -9.191 0.216 2.128
27 HB VAL 5 HB VAL 5 -9.392 -1.555 -0.264
28 HG11 VAL 5 1HG1 VAL 5 -7.537 -1.749 1.493
29 HG12 VAL 5 2HG1 VAL 5 -8.410 -3.219 1.063
30 HG13 VAL 5 3HG1 VAL 5 -8.794 -2.373 2.562
31 HG21 VAL 5 1HG2 VAL 5 -11.510 -2.025 0.253
32 HG22 VAL 5 2HG2 VAL 5 -11.423 -1.083 1.741
33 HG23 VAL 5 3HG2 VAL 5 -10.903 -2.768 1.732
34 H PHE 6 HN PHE 6 -9.182 0.973 -1.277
35 HA PHE 6 HA PHE 6 -6.656 0.509 -2.127
36 HB2 PHE 6 HB2 PHE 6 -7.226 1.831 -3.861
37 HB3 PHE 6 HB1 PHE 6 -8.773 1.999 -3.042
38 HD1 PHE 6 HD1 PHE 6 -6.356 3.773 -4.677
39 HD2 PHE 6 HD2 PHE 6 -8.598 3.893 -1.062
40 HE1 PHE 6 HE1 PHE 6 -6.010 6.206 -4.548
41 HE2 PHE 6 HE2 PHE 6 -8.257 6.326 -0.927
42 HZ PHE 6 HZ PHE 6 -6.962 7.485 -2.671
43 H GLY 7 HN GLY 7 -7.623 2.722 0.332
44 HA2 GLY 7 HA2 GLY 7 -5.324 4.392 0.362
45 HA3 GLY 7 HA1 GLY 7 -6.435 4.144 1.703
46 H ARG 8 HN ARG 8 -6.114 1.344 1.934
47 HA ARG 8 HA ARG 8 -3.652 1.275 3.433
48 HB2 ARG 8 HB2 ARG 8 -6.075 -0.412 3.192
49 HB3 ARG 8 HB1 ARG 8 -4.589 -1.255 3.610
50 HG2 ARG 8 HG2 ARG 8 -5.124 -0.735 5.712
51 HG3 ARG 8 HG1 ARG 8 -4.507 0.869 5.310
52 HD2 ARG 8 HD2 ARG 8 -7.320 0.329 4.592
53 HD3 ARG 8 HD1 ARG 8 -6.962 0.427 6.315
54 HE ARG 8 HE ARG 8 -5.771 2.615 5.049
55 HH11 ARG 8 1HH1 ARG 8 -8.960 1.385 5.749
56 HH12 ARG 8 2HH1 ARG 8 -9.690 2.954 5.805
57 HH21 ARG 8 1HH2 ARG 8 -6.727 4.680 5.123
58 HH22 ARG 8 2HH2 ARG 8 -8.422 4.825 5.449
59 H LEU 9 HN LEU 9 -5.048 -0.602 0.731
60 HA LEU 9 HA LEU 9 -2.905 -2.271 0.215
61 HB2 LEU 9 HB2 LEU 9 -5.077 -1.112 -1.463
62 HB3 LEU 9 HB1 LEU 9 -3.760 -1.936 -2.275
63 HG LEU 9 HG LEU 9 -4.346 -3.820 -0.475
64 HD11 LEU 9 1HD1 LEU 9 -6.687 -2.024 -0.556
65 HD12 LEU 9 2HD1 LEU 9 -6.131 -3.115 0.714
66 HD13 LEU 9 3HD1 LEU 9 -7.016 -3.753 -0.672
67 HD21 LEU 9 1HD2 LEU 9 -4.467 -3.668 -3.116
68 HD22 LEU 9 2HD2 LEU 9 -6.200 -3.688 -2.791
69 HD23 LEU 9 3HD2 LEU 9 -5.182 -5.013 -2.228
70 H ALA 10 HN ALA 10 -3.404 1.061 -0.786
71 HA ALA 10 HA ALA 10 -1.423 1.421 -2.659
72 HB1 ALA 10 HB1 ALA 10 -2.300 3.357 -0.525
73 HB2 ALA 10 HB2 ALA 10 -3.040 3.137 -2.110
74 HB3 ALA 10 HB3 ALA 10 -1.402 3.777 -1.983
75 H ARG 11 HN ARG 11 -1.017 0.799 0.705
76 HA ARG 11 HA ARG 11 1.677 1.821 0.773
77 HB2 ARG 11 HB2 ARG 11 1.633 1.523 3.078
78 HB3 ARG 11 HB1 ARG 11 -0.031 1.936 2.699
79 HG2 ARG 11 HG2 ARG 11 -0.230 -0.719 2.565
80 HG3 ARG 11 HG1 ARG 11 1.121 -0.600 3.690
81 HD2 ARG 11 HD2 ARG 11 -1.632 0.582 3.983
82 HD3 ARG 11 HD1 ARG 11 -0.892 -0.678 4.969
83 HE ARG 11 HE ARG 11 0.544 1.815 4.988
84 HH11 ARG 11 1HH1 ARG 11 -2.024 -0.027 6.469
85 HH12 ARG 11 2HH1 ARG 11 -1.950 0.838 7.966
86 HH21 ARG 11 1HH2 ARG 11 0.642 2.955 6.956
87 HH22 ARG 11 2HH2 ARG 11 -0.437 2.532 8.244
88 H ILE 12 HN ILE 12 0.048 -1.354 0.836
89 HA ILE 12 HA ILE 12 2.290 -2.910 1.351
90 HB ILE 12 HB ILE 12 1.208 -4.746 0.158
91 HG12 ILE 12 2HG1 ILE 12 -1.244 -3.163 -0.365
92 HG13 ILE 12 1HG1 ILE 12 0.096 -2.913 -1.475
93 HG21 ILE 12 1HG2 ILE 12 -0.581 -5.023 1.673
94 HG22 ILE 12 2HG2 ILE 12 -0.834 -3.283 1.807
95 HG23 ILE 12 3HG2 ILE 12 0.609 -4.021 2.503
96 HD11 ILE 12 1HD1 ILE 12 -1.799 -4.860 -1.684
97 HD12 ILE 12 2HD1 ILE 12 -0.452 -5.721 -0.939
98 HD13 ILE 12 3HD1 ILE 12 -0.220 -4.878 -2.470
99 H LEU 13 HN LEU 13 1.239 -1.419 -1.632
100 HA LEU 13 HA LEU 13 3.113 -2.736 -3.322
101 HB2 LEU 13 HB2 LEU 13 2.783 -0.379 -4.600
102 HB3 LEU 13 HB1 LEU 13 1.675 -1.727 -4.740
103 HG LEU 13 HG LEU 13 1.093 0.118 -2.522
104 HD11 LEU 13 1HD1 LEU 13 -0.105 1.539 -4.444
105 HD12 LEU 13 2HD1 LEU 13 1.350 1.056 -5.315
106 HD13 LEU 13 3HD1 LEU 13 1.485 1.946 -3.799
107 HD21 LEU 13 1HD2 LEU 13 -1.166 -0.278 -3.227
108 HD22 LEU 13 2HD2 LEU 13 -0.310 -1.817 -3.257
109 HD23 LEU 13 3HD2 LEU 13 -0.623 -0.952 -4.761
110 H GLY 14 HN GLY 14 3.201 -0.116 -1.082
111 HA2 GLY 14 HA2 GLY 14 5.877 0.701 -1.962
112 HA3 GLY 14 HA1 GLY 14 4.894 1.499 -0.740
113 H ARG 15 HN ARG 15 4.370 -1.385 0.296
114 HA ARG 15 HA ARG 15 6.742 -1.462 2.036
115 HB2 ARG 15 HB2 ARG 15 3.907 -2.387 2.352
116 HB3 ARG 15 HB1 ARG 15 5.177 -3.090 3.345
117 HG2 ARG 15 HG2 ARG 15 4.366 -1.385 4.673
118 HG3 ARG 15 HG1 ARG 15 5.775 -0.644 3.909
119 HD2 ARG 15 HD2 ARG 15 4.360 0.443 2.277
120 HD3 ARG 15 HD1 ARG 15 2.938 -0.371 2.928
121 HE ARG 15 HE ARG 15 2.855 1.184 4.607
122 HH11 ARG 15 1HH1 ARG 15 5.986 1.352 3.073
123 HH12 ARG 15 2HH1 ARG 15 6.466 2.781 3.925
124 HH21 ARG 15 1HH2 ARG 15 3.484 3.065 5.727
125 HH22 ARG 15 2HH2 ARG 15 5.045 3.754 5.432
126 H VAL 16 HN VAL 16 6.650 -2.530 -0.685
127 HA VAL 16 HA VAL 16 7.085 -5.395 -0.126
128 HB VAL 16 HB VAL 16 5.299 -5.102 -1.776
129 HG11 VAL 16 1HG1 VAL 16 5.530 -3.937 -3.803
130 HG12 VAL 16 2HG1 VAL 16 7.276 -3.777 -3.607
131 HG13 VAL 16 3HG1 VAL 16 6.185 -2.862 -2.569
132 HG21 VAL 16 1HG2 VAL 16 7.631 -5.984 -3.415
133 HG22 VAL 16 2HG2 VAL 16 6.030 -6.705 -3.254
134 HG23 VAL 16 3HG2 VAL 16 7.209 -6.878 -1.954
135 H ILE 17 HN ILE 17 8.060 -2.626 -2.032
136 HA ILE 17 HA ILE 17 10.814 -3.162 -1.428
137 HB ILE 17 HB ILE 17 9.923 -2.935 -4.316
138 HG12 ILE 17 2HG1 ILE 17 9.503 -5.179 -3.347
139 HG13 ILE 17 1HG1 ILE 17 10.733 -5.208 -4.606
140 HG21 ILE 17 1HG2 ILE 17 11.956 -1.959 -4.449
141 HG22 ILE 17 2HG2 ILE 17 12.512 -3.632 -4.445
142 HG23 ILE 17 3HG2 ILE 17 12.528 -2.694 -2.951
143 HD11 ILE 17 1HD1 ILE 17 10.954 -6.356 -2.146
144 HD12 ILE 17 2HD1 ILE 17 11.816 -4.833 -1.927
145 HD13 ILE 17 3HD1 ILE 17 12.301 -5.945 -3.207
146 HA PRO 18 HA PRO 18 9.678 1.193 -1.521
147 HB2 PRO 18 HB2 PRO 18 10.404 1.432 1.214
148 HB3 PRO 18 HB1 PRO 18 8.767 1.355 0.561
149 HG2 PRO 18 HG2 PRO 18 9.947 -0.586 2.163
150 HG3 PRO 18 HG1 PRO 18 8.542 -0.850 1.117
151 HD2 PRO 18 HD2 PRO 18 11.399 -1.343 0.556
152 HD3 PRO 18 HD1 PRO 18 10.042 -2.408 0.215
153 H LYS 19 HN LYS 19 11.092 2.966 -0.475
154 HA LYS 19 HA LYS 19 13.643 2.868 -1.657
155 HB2 LYS 19 HB2 LYS 19 13.992 5.075 -0.768
156 HB3 LYS 19 HB1 LYS 19 12.326 4.954 -1.313
157 HG2 LYS 19 HG2 LYS 19 11.663 5.663 0.673
158 HG3 LYS 19 HG1 LYS 19 12.322 4.191 1.390
159 HD2 LYS 19 HD2 LYS 19 14.558 5.751 1.026
160 HD3 LYS 19 HD1 LYS 19 13.326 6.932 1.472
161 HE2 LYS 19 HE2 LYS 19 13.145 6.141 3.580
162 HE3 LYS 19 HE1 LYS 19 13.374 4.466 3.082
163 HZ1 LYS 19 HZ1 LYS 19 15.773 5.044 2.760
164 HZ2 LYS 19 HZ2 LYS 19 15.244 5.069 4.366
165 HZ3 LYS 19 HZ3 LYS 19 15.463 6.521 3.525
166 H VAL 20 HN VAL 20 12.500 2.194 1.564
167 HA VAL 20 HA VAL 20 13.513 1.303 3.397
168 HB VAL 20 HB VAL 20 15.864 0.715 1.597
169 HG11 VAL 20 1HG1 VAL 20 16.617 0.190 3.691
170 HG12 VAL 20 2HG1 VAL 20 15.830 -1.329 3.263
171 HG13 VAL 20 3HG1 VAL 20 15.002 -0.169 4.303
172 HG21 VAL 20 1HG2 VAL 20 14.334 -0.435 0.398
173 HG22 VAL 20 2HG2 VAL 20 13.169 -0.476 1.722
174 HG23 VAL 20 3HG2 VAL 20 14.515 -1.615 1.697
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -15.458 -0.944 1.851
2 H2 GLY 1 HT2 GLY 1 -15.213 -2.575 2.226
3 H3 GLY 1 HT3 GLY 1 -16.077 -2.148 0.836
4 HA2 GLY 1 HA1 GLY 1 -13.311 -1.210 1.145
5 HA3 GLY 1 HA2 GLY 1 -13.598 -2.873 0.658
6 H LEU 2 HN LEU 2 -12.533 -2.330 -1.345
7 HA LEU 2 HA LEU 2 -12.539 -1.844 -3.568
8 HB2 LEU 2 HB2 LEU 2 -15.463 -1.862 -2.938
9 HB3 LEU 2 HB1 LEU 2 -14.931 -1.307 -4.513
10 HG LEU 2 HG LEU 2 -15.607 -3.699 -4.462
11 HD11 LEU 2 1HD1 LEU 2 -14.289 -3.385 -6.280
12 HD12 LEU 2 2HD1 LEU 2 -13.227 -4.467 -5.380
13 HD13 LEU 2 3HD1 LEU 2 -12.953 -2.726 -5.337
14 HD21 LEU 2 1HD2 LEU 2 -14.338 -3.845 -2.096
15 HD22 LEU 2 2HD2 LEU 2 -13.081 -4.482 -3.157
16 HD23 LEU 2 3HD2 LEU 2 -14.670 -5.247 -3.113
17 H GLY 3 HN GLY 3 -11.316 0.040 -3.197
18 HA2 GLY 3 HA2 GLY 3 -11.091 2.260 -4.033
19 HA3 GLY 3 HA1 GLY 3 -12.811 2.504 -3.760
20 H SER 4 HN SER 4 -12.787 1.360 -1.103
21 HA SER 4 HA SER 4 -11.882 3.699 0.351
22 HB2 SER 4 HB2 SER 4 -12.973 1.345 1.805
23 HB3 SER 4 HB1 SER 4 -13.335 3.059 2.006
24 HG SER 4 HG SER 4 -14.429 2.821 -0.118
25 H VAL 5 HN VAL 5 -11.161 0.312 0.018
26 HA VAL 5 HA VAL 5 -9.164 0.190 2.072
27 HB VAL 5 HB VAL 5 -9.392 -1.653 -0.260
28 HG11 VAL 5 1HG1 VAL 5 -7.495 -1.869 1.347
29 HG12 VAL 5 2HG1 VAL 5 -8.501 -3.312 1.226
30 HG13 VAL 5 3HG1 VAL 5 -8.673 -2.231 2.609
31 HG21 VAL 5 1HG2 VAL 5 -11.570 -1.881 0.316
32 HG22 VAL 5 2HG2 VAL 5 -11.312 -1.275 1.952
33 HG23 VAL 5 3HG2 VAL 5 -10.895 -2.942 1.552
34 H PHE 6 HN PHE 6 -9.297 0.852 -1.346
35 HA PHE 6 HA PHE 6 -6.805 0.406 -2.295
36 HB2 PHE 6 HB2 PHE 6 -7.483 1.676 -4.025
37 HB3 PHE 6 HB1 PHE 6 -8.981 1.879 -3.123
38 HD1 PHE 6 HD1 PHE 6 -6.574 3.584 -4.892
39 HD2 PHE 6 HD2 PHE 6 -8.746 3.820 -1.241
40 HE1 PHE 6 HE1 PHE 6 -6.199 6.014 -4.831
41 HE2 PHE 6 HE2 PHE 6 -8.379 6.252 -1.174
42 HZ PHE 6 HZ PHE 6 -7.103 7.352 -2.971
43 H GLY 7 HN GLY 7 -7.690 2.664 0.160
44 HA2 GLY 7 HA2 GLY 7 -5.364 4.315 0.054
45 HA3 GLY 7 HA1 GLY 7 -6.463 4.160 1.419
46 H ARG 8 HN ARG 8 -6.239 1.423 1.882
47 HA ARG 8 HA ARG 8 -3.826 1.330 3.394
48 HB2 ARG 8 HB2 ARG 8 -6.184 -0.416 2.986
49 HB3 ARG 8 HB1 ARG 8 -4.702 -1.227 3.473
50 HG2 ARG 8 HG2 ARG 8 -5.222 -0.721 5.565
51 HG3 ARG 8 HG1 ARG 8 -4.881 0.965 5.168
52 HD2 ARG 8 HD2 ARG 8 -7.384 0.778 4.221
53 HD3 ARG 8 HD1 ARG 8 -7.467 -0.426 5.506
54 HE ARG 8 HE ARG 8 -6.328 2.081 6.334
55 HH11 ARG 8 1HH1 ARG 8 -9.288 0.285 5.897
56 HH12 ARG 8 2HH1 ARG 8 -10.174 1.221 7.054
57 HH21 ARG 8 1HH2 ARG 8 -7.491 3.312 7.857
58 HH22 ARG 8 2HH2 ARG 8 -9.154 2.939 8.166
59 H LEU 9 HN LEU 9 -5.031 -0.598 0.629
60 HA LEU 9 HA LEU 9 -2.797 -2.159 0.188
61 HB2 LEU 9 HB2 LEU 9 -4.916 -1.054 -1.599
62 HB3 LEU 9 HB1 LEU 9 -3.538 -1.853 -2.331
63 HG LEU 9 HG LEU 9 -4.218 -3.718 -0.508
64 HD11 LEU 9 1HD1 LEU 9 -6.606 -2.024 -0.951
65 HD12 LEU 9 2HD1 LEU 9 -6.137 -2.984 0.453
66 HD13 LEU 9 3HD1 LEU 9 -6.837 -3.772 -0.961
67 HD21 LEU 9 1HD2 LEU 9 -4.082 -3.608 -3.173
68 HD22 LEU 9 2HD2 LEU 9 -5.829 -3.763 -2.990
69 HD23 LEU 9 3HD2 LEU 9 -4.759 -4.987 -2.307
70 H ALA 10 HN ALA 10 -3.336 1.190 -0.642
71 HA ALA 10 HA ALA 10 -1.372 1.723 -2.484
72 HB1 ALA 10 HB1 ALA 10 -2.183 3.478 -0.174
73 HB2 ALA 10 HB2 ALA 10 -3.015 3.360 -1.725
74 HB3 ALA 10 HB3 ALA 10 -1.376 4.008 -1.650
75 H ARG 11 HN ARG 11 -0.936 0.810 0.805
76 HA ARG 11 HA ARG 11 1.757 1.825 0.951
77 HB2 ARG 11 HB2 ARG 11 1.737 1.240 3.224
78 HB3 ARG 11 HB1 ARG 11 0.105 1.798 2.896
79 HG2 ARG 11 HG2 ARG 11 -0.330 -0.767 2.487
80 HG3 ARG 11 HG1 ARG 11 1.089 -0.934 3.521
81 HD2 ARG 11 HD2 ARG 11 -1.457 0.540 4.184
82 HD3 ARG 11 HD1 ARG 11 -0.936 -1.006 4.852
83 HE ARG 11 HE ARG 11 0.927 1.149 5.273
84 HH11 ARG 11 1HH1 ARG 11 -1.873 -0.517 6.527
85 HH12 ARG 11 2HH1 ARG 11 -1.591 -0.019 8.161
86 HH21 ARG 11 1HH2 ARG 11 1.297 1.803 7.423
87 HH22 ARG 11 2HH2 ARG 11 0.207 1.297 8.670
88 H ILE 12 HN ILE 12 0.122 -1.345 0.770
89 HA ILE 12 HA ILE 12 2.366 -2.942 1.103
90 HB ILE 12 HB ILE 12 1.259 -4.664 -0.223
91 HG12 ILE 12 2HG1 ILE 12 -1.194 -3.031 -0.565
92 HG13 ILE 12 1HG1 ILE 12 0.127 -2.701 -1.677
93 HG21 ILE 12 1HG2 ILE 12 -1.016 -4.453 1.166
94 HG22 ILE 12 2HG2 ILE 12 -0.059 -3.225 1.994
95 HG23 ILE 12 3HG2 ILE 12 0.525 -4.886 1.906
96 HD11 ILE 12 1HD1 ILE 12 -0.403 -4.471 -2.884
97 HD12 ILE 12 2HD1 ILE 12 -1.794 -4.732 -1.831
98 HD13 ILE 12 3HD1 ILE 12 -0.257 -5.522 -1.475
99 H LEU 13 HN LEU 13 1.291 -1.169 -1.711
100 HA LEU 13 HA LEU 13 3.113 -2.363 -3.547
101 HB2 LEU 13 HB2 LEU 13 2.800 0.128 -4.583
102 HB3 LEU 13 HB1 LEU 13 1.706 -1.207 -4.873
103 HG LEU 13 HG LEU 13 1.109 0.426 -2.488
104 HD11 LEU 13 1HD1 LEU 13 -0.148 1.945 -4.306
105 HD12 LEU 13 2HD1 LEU 13 1.329 1.578 -5.197
106 HD13 LEU 13 3HD1 LEU 13 1.422 2.357 -3.618
107 HD21 LEU 13 1HD2 LEU 13 -0.256 -1.485 -3.354
108 HD22 LEU 13 2HD2 LEU 13 -0.619 -0.507 -4.775
109 HD23 LEU 13 3HD2 LEU 13 -1.146 0.026 -3.180
110 H GLY 14 HN GLY 14 3.265 0.097 -1.119
111 HA2 GLY 14 HA2 GLY 14 5.966 0.889 -1.959
112 HA3 GLY 14 HA1 GLY 14 5.004 1.652 -0.698
113 H ARG 15 HN ARG 15 4.404 -1.286 0.157
114 HA ARG 15 HA ARG 15 6.750 -1.517 1.914
115 HB2 ARG 15 HB2 ARG 15 3.884 -2.354 2.148
116 HB3 ARG 15 HB1 ARG 15 5.109 -3.178 3.102
117 HG2 ARG 15 HG2 ARG 15 4.307 -1.512 4.514
118 HG3 ARG 15 HG1 ARG 15 5.812 -0.844 3.877
119 HD2 ARG 15 HD2 ARG 15 4.493 0.376 2.171
120 HD3 ARG 15 HD1 ARG 15 3.017 -0.225 2.925
121 HE ARG 15 HE ARG 15 4.249 0.976 4.985
122 HH11 ARG 15 1HH1 ARG 15 3.586 2.058 1.731
123 HH12 ARG 15 2HH1 ARG 15 3.470 3.727 2.178
124 HH21 ARG 15 1HH2 ARG 15 4.092 3.171 5.571
125 HH22 ARG 15 2HH2 ARG 15 3.756 4.358 4.355
126 H VAL 16 HN VAL 16 6.670 -2.420 -0.867
127 HA VAL 16 HA VAL 16 7.009 -5.326 -0.485
128 HB VAL 16 HB VAL 16 5.263 -4.844 -2.145
129 HG11 VAL 16 1HG1 VAL 16 5.607 -3.592 -4.109
130 HG12 VAL 16 2HG1 VAL 16 7.349 -3.512 -3.846
131 HG13 VAL 16 3HG1 VAL 16 6.257 -2.611 -2.796
132 HG21 VAL 16 1HG2 VAL 16 7.578 -5.749 -3.789
133 HG22 VAL 16 2HG2 VAL 16 5.944 -6.403 -3.685
134 HG23 VAL 16 3HG2 VAL 16 7.096 -6.697 -2.382
135 H ILE 17 HN ILE 17 8.110 -2.468 -2.184
136 HA ILE 17 HA ILE 17 10.830 -3.128 -1.553
137 HB ILE 17 HB ILE 17 10.026 -2.698 -4.444
138 HG12 ILE 17 2HG1 ILE 17 9.525 -4.986 -3.632
139 HG13 ILE 17 1HG1 ILE 17 10.797 -4.970 -4.849
140 HG21 ILE 17 1HG2 ILE 17 12.086 -1.778 -4.476
141 HG22 ILE 17 2HG2 ILE 17 12.606 -3.462 -4.530
142 HG23 ILE 17 3HG2 ILE 17 12.591 -2.593 -2.995
143 HD11 ILE 17 1HD1 ILE 17 10.889 -6.229 -2.409
144 HD12 ILE 17 2HD1 ILE 17 11.847 -4.770 -2.155
145 HD13 ILE 17 3HD1 ILE 17 12.264 -5.884 -3.458
146 HA PRO 18 HA PRO 18 9.827 1.258 -1.392
147 HB2 PRO 18 HB2 PRO 18 10.468 1.285 1.377
148 HB3 PRO 18 HB1 PRO 18 8.853 1.313 0.667
149 HG2 PRO 18 HG2 PRO 18 9.903 -0.773 2.169
150 HG3 PRO 18 HG1 PRO 18 8.535 -0.919 1.052
151 HD2 PRO 18 HD2 PRO 18 11.399 -1.460 0.567
152 HD3 PRO 18 HD1 PRO 18 10.028 -2.462 0.110
153 H LYS 19 HN LYS 19 11.255 2.912 -0.186
154 HA LYS 19 HA LYS 19 13.837 2.827 -1.294
155 HB2 LYS 19 HB2 LYS 19 14.229 4.941 -0.183
156 HB3 LYS 19 HB1 LYS 19 12.604 4.925 -0.854
157 HG2 LYS 19 HG2 LYS 19 11.700 5.294 1.135
158 HG3 LYS 19 HG1 LYS 19 12.596 3.958 1.859
159 HD2 LYS 19 HD2 LYS 19 14.272 6.276 1.303
160 HD3 LYS 19 HD1 LYS 19 12.946 6.639 2.409
161 HE2 LYS 19 HE2 LYS 19 14.336 5.854 3.986
162 HE3 LYS 19 HE1 LYS 19 13.830 4.270 3.400
163 HZ1 LYS 19 HZ1 LYS 19 16.218 5.751 2.437
164 HZ2 LYS 19 HZ2 LYS 19 15.753 4.191 1.976
165 HZ3 LYS 19 HZ3 LYS 19 16.251 4.489 3.564
166 H VAL 20 HN VAL 20 12.586 1.865 1.799
167 HA VAL 20 HA VAL 20 13.534 0.844 3.599
168 HB VAL 20 HB VAL 20 15.916 0.318 1.823
169 HG11 VAL 20 1HG1 VAL 20 16.548 -0.383 3.917
170 HG12 VAL 20 2HG1 VAL 20 15.786 -1.847 3.295
171 HG13 VAL 20 3HG1 VAL 20 14.901 -0.792 4.397
172 HG21 VAL 20 1HG2 VAL 20 14.400 -0.673 0.477
173 HG22 VAL 20 2HG2 VAL 20 13.178 -0.770 1.745
174 HG23 VAL 20 3HG2 VAL 20 14.479 -1.960 1.681
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -15.586 -0.770 1.263
2 H2 GLY 1 HT2 GLY 1 -15.361 -2.299 1.949
3 H3 GLY 1 HT3 GLY 1 -16.166 -2.147 0.470
4 HA2 GLY 1 HA1 GLY 1 -13.359 -1.287 0.828
5 HA3 GLY 1 HA2 GLY 1 -13.776 -2.934 0.378
6 H LEU 2 HN LEU 2 -12.384 -2.248 -1.505
7 HA LEU 2 HA LEU 2 -12.243 -1.870 -3.747
8 HB2 LEU 2 HB2 LEU 2 -15.154 -1.234 -3.946
9 HB3 LEU 2 HB1 LEU 2 -14.124 -2.089 -5.077
10 HG LEU 2 HG LEU 2 -15.282 -3.166 -2.508
11 HD11 LEU 2 1HD1 LEU 2 -16.784 -4.274 -3.758
12 HD12 LEU 2 2HD1 LEU 2 -15.650 -4.540 -5.081
13 HD13 LEU 2 3HD1 LEU 2 -16.468 -2.986 -4.920
14 HD21 LEU 2 1HD2 LEU 2 -13.321 -4.306 -2.458
15 HD22 LEU 2 2HD2 LEU 2 -13.029 -4.101 -4.185
16 HD23 LEU 2 3HD2 LEU 2 -14.176 -5.317 -3.623
17 H GLY 3 HN GLY 3 -11.078 0.047 -3.109
18 HA2 GLY 3 HA2 GLY 3 -10.784 2.240 -4.075
19 HA3 GLY 3 HA1 GLY 3 -12.516 2.495 -3.905
20 H SER 4 HN SER 4 -12.686 1.441 -1.233
21 HA SER 4 HA SER 4 -11.814 3.796 0.213
22 HB2 SER 4 HB2 SER 4 -13.026 1.556 1.719
23 HB3 SER 4 HB1 SER 4 -13.432 3.272 1.730
24 HG SER 4 HG SER 4 -14.336 2.805 -0.452
25 H VAL 5 HN VAL 5 -11.090 0.412 -0.049
26 HA VAL 5 HA VAL 5 -9.257 0.289 2.160
27 HB VAL 5 HB VAL 5 -9.362 -1.570 -0.170
28 HG11 VAL 5 1HG1 VAL 5 -7.637 -1.605 1.823
29 HG12 VAL 5 2HG1 VAL 5 -8.284 -3.101 1.149
30 HG13 VAL 5 3HG1 VAL 5 -8.953 -2.445 2.643
31 HG21 VAL 5 1HG2 VAL 5 -11.434 -1.081 1.828
32 HG22 VAL 5 2HG2 VAL 5 -10.947 -2.773 1.718
33 HG23 VAL 5 3HG2 VAL 5 -11.529 -1.928 0.284
34 H PHE 6 HN PHE 6 -9.136 0.902 -1.272
35 HA PHE 6 HA PHE 6 -6.583 0.422 -2.023
36 HB2 PHE 6 HB2 PHE 6 -7.117 1.659 -3.826
37 HB3 PHE 6 HB1 PHE 6 -8.679 1.884 -3.050
38 HD1 PHE 6 HD1 PHE 6 -8.554 3.863 -1.176
39 HD2 PHE 6 HD2 PHE 6 -6.170 3.546 -4.686
40 HE1 PHE 6 HE1 PHE 6 -8.181 6.296 -1.138
41 HE2 PHE 6 HE2 PHE 6 -5.792 5.977 -4.654
42 HZ PHE 6 HZ PHE 6 -6.798 7.355 -2.878
43 H GLY 7 HN GLY 7 -7.627 2.730 0.320
44 HA2 GLY 7 HA2 GLY 7 -5.356 4.425 0.358
45 HA3 GLY 7 HA1 GLY 7 -6.475 4.178 1.694
46 H ARG 8 HN ARG 8 -6.121 1.416 2.026
47 HA ARG 8 HA ARG 8 -3.662 1.407 3.525
48 HB2 ARG 8 HB2 ARG 8 -6.029 -0.382 3.266
49 HB3 ARG 8 HB1 ARG 8 -4.527 -1.099 3.832
50 HG2 ARG 8 HG2 ARG 8 -6.042 -0.351 5.646
51 HG3 ARG 8 HG1 ARG 8 -4.441 0.388 5.701
52 HD2 ARG 8 HD2 ARG 8 -6.046 2.101 6.128
53 HD3 ARG 8 HD1 ARG 8 -5.398 2.361 4.508
54 HE ARG 8 HE ARG 8 -7.604 0.904 4.022
55 HH11 ARG 8 1HH1 ARG 8 -7.066 3.781 5.925
56 HH12 ARG 8 2HH1 ARG 8 -8.664 4.398 5.671
57 HH21 ARG 8 1HH2 ARG 8 -9.702 1.718 3.683
58 HH22 ARG 8 2HH2 ARG 8 -10.161 3.227 4.397
59 H LEU 9 HN LEU 9 -5.026 -0.527 0.848
60 HA LEU 9 HA LEU 9 -2.872 -2.200 0.378
61 HB2 LEU 9 HB2 LEU 9 -5.010 -1.047 -1.350
62 HB3 LEU 9 HB1 LEU 9 -3.678 -1.880 -2.129
63 HG LEU 9 HG LEU 9 -4.364 -3.702 -0.235
64 HD11 LEU 9 1HD1 LEU 9 -6.734 -2.000 -0.771
65 HD12 LEU 9 2HD1 LEU 9 -6.276 -2.882 0.686
66 HD13 LEU 9 3HD1 LEU 9 -6.970 -3.746 -0.686
67 HD21 LEU 9 1HD2 LEU 9 -4.189 -3.674 -2.894
68 HD22 LEU 9 2HD2 LEU 9 -5.942 -3.777 -2.740
69 HD23 LEU 9 3HD2 LEU 9 -4.918 -5.011 -2.005
70 H ALA 10 HN ALA 10 -3.368 1.119 -0.640
71 HA ALA 10 HA ALA 10 -1.377 1.523 -2.479
72 HB1 ALA 10 HB1 ALA 10 -2.971 3.240 -1.908
73 HB2 ALA 10 HB2 ALA 10 -1.332 3.863 -1.716
74 HB3 ALA 10 HB3 ALA 10 -2.271 3.397 -0.297
75 H ARG 11 HN ARG 11 -0.986 0.800 0.865
76 HA ARG 11 HA ARG 11 1.713 1.804 0.970
77 HB2 ARG 11 HB2 ARG 11 1.628 1.520 3.256
78 HB3 ARG 11 HB1 ARG 11 -0.066 1.795 2.888
79 HG2 ARG 11 HG2 ARG 11 -0.046 -0.865 2.727
80 HG3 ARG 11 HG1 ARG 11 1.301 -0.649 3.842
81 HD2 ARG 11 HD2 ARG 11 -1.587 0.025 4.182
82 HD3 ARG 11 HD1 ARG 11 -0.498 -0.821 5.278
83 HE ARG 11 HE ARG 11 0.458 1.759 5.109
84 HH11 ARG 11 1HH1 ARG 11 -2.511 0.213 6.097
85 HH12 ARG 11 2HH1 ARG 11 -2.918 1.443 7.246
86 HH21 ARG 11 1HH2 ARG 11 -0.078 3.383 6.618
87 HH22 ARG 11 2HH2 ARG 11 -1.538 3.242 7.541
88 H ILE 12 HN ILE 12 0.069 -1.370 0.934
89 HA ILE 12 HA ILE 12 2.333 -2.946 1.338
90 HB ILE 12 HB ILE 12 1.211 -4.739 0.113
91 HG12 ILE 12 2HG1 ILE 12 -1.229 -3.079 -0.272
92 HG13 ILE 12 1HG1 ILE 12 0.069 -2.898 -1.445
93 HG21 ILE 12 1HG2 ILE 12 -1.008 -4.557 1.524
94 HG22 ILE 12 2HG2 ILE 12 -0.162 -3.184 2.239
95 HG23 ILE 12 3HG2 ILE 12 0.558 -4.793 2.300
96 HD11 ILE 12 1HD1 ILE 12 -0.695 -4.676 -2.501
97 HD12 ILE 12 2HD1 ILE 12 -1.907 -4.938 -1.246
98 HD13 ILE 12 3HD1 ILE 12 -0.304 -5.657 -1.089
99 H LEU 13 HN LEU 13 1.187 -1.334 -1.534
100 HA LEU 13 HA LEU 13 2.981 -2.588 -3.355
101 HB2 LEU 13 HB2 LEU 13 2.603 -0.157 -4.505
102 HB3 LEU 13 HB1 LEU 13 1.520 -1.520 -4.695
103 HG LEU 13 HG LEU 13 0.951 0.195 -2.371
104 HD11 LEU 13 1HD1 LEU 13 -0.329 1.669 -4.213
105 HD12 LEU 13 2HD1 LEU 13 1.144 1.288 -5.104
106 HD13 LEU 13 3HD1 LEU 13 1.245 2.101 -3.543
107 HD21 LEU 13 1HD2 LEU 13 -0.422 -1.740 -3.194
108 HD22 LEU 13 2HD2 LEU 13 -0.810 -0.775 -4.618
109 HD23 LEU 13 3HD2 LEU 13 -1.310 -0.228 -3.020
110 H GLY 14 HN GLY 14 3.178 -0.053 -1.025
111 HA2 GLY 14 HA2 GLY 14 5.822 0.778 -1.987
112 HA3 GLY 14 HA1 GLY 14 4.897 1.539 -0.697
113 H ARG 15 HN ARG 15 4.383 -1.378 0.239
114 HA ARG 15 HA ARG 15 6.817 -1.547 1.886
115 HB2 ARG 15 HB2 ARG 15 3.987 -2.465 2.270
116 HB3 ARG 15 HB1 ARG 15 5.287 -3.211 3.188
117 HG2 ARG 15 HG2 ARG 15 4.456 -1.536 4.583
118 HG3 ARG 15 HG1 ARG 15 5.925 -0.846 3.891
119 HD2 ARG 15 HD2 ARG 15 4.510 0.270 2.173
120 HD3 ARG 15 HD1 ARG 15 3.085 -0.314 3.030
121 HE ARG 15 HE ARG 15 4.675 1.937 3.708
122 HH11 ARG 15 1HH1 ARG 15 2.809 -0.648 5.132
123 HH12 ARG 15 2HH1 ARG 15 2.459 0.238 6.578
124 HH21 ARG 15 1HH2 ARG 15 4.207 3.100 5.604
125 HH22 ARG 15 2HH2 ARG 15 3.250 2.363 6.845
126 H VAL 16 HN VAL 16 6.628 -2.490 -0.873
127 HA VAL 16 HA VAL 16 7.028 -5.386 -0.472
128 HB VAL 16 HB VAL 16 5.208 -4.918 -2.076
129 HG11 VAL 16 1HG1 VAL 16 5.530 -3.755 -4.114
130 HG12 VAL 16 2HG1 VAL 16 7.269 -3.631 -3.848
131 HG13 VAL 16 3HG1 VAL 16 6.154 -2.719 -2.832
132 HG21 VAL 16 1HG2 VAL 16 7.737 -6.088 -3.211
133 HG22 VAL 16 2HG2 VAL 16 6.173 -6.187 -4.021
134 HG23 VAL 16 3HG2 VAL 16 6.397 -6.937 -2.440
135 H ILE 17 HN ILE 17 8.015 -2.522 -2.223
136 HA ILE 17 HA ILE 17 10.766 -3.139 -1.693
137 HB ILE 17 HB ILE 17 9.846 -2.718 -4.551
138 HG12 ILE 17 2HG1 ILE 17 9.401 -5.016 -3.722
139 HG13 ILE 17 1HG1 ILE 17 10.619 -4.980 -4.994
140 HG21 ILE 17 1HG2 ILE 17 11.891 -1.776 -4.662
141 HG22 ILE 17 2HG2 ILE 17 12.428 -3.454 -4.738
142 HG23 ILE 17 3HG2 ILE 17 12.462 -2.586 -3.203
143 HD11 ILE 17 1HD1 ILE 17 10.830 -6.241 -2.558
144 HD12 ILE 17 2HD1 ILE 17 11.787 -4.775 -2.352
145 HD13 ILE 17 3HD1 ILE 17 12.151 -5.887 -3.671
146 HA PRO 18 HA PRO 18 9.696 1.233 -1.508
147 HB2 PRO 18 HB2 PRO 18 10.421 1.294 1.236
148 HB3 PRO 18 HB1 PRO 18 8.784 1.280 0.579
149 HG2 PRO 18 HG2 PRO 18 9.936 -0.771 2.061
150 HG3 PRO 18 HG1 PRO 18 8.526 -0.952 1.004
151 HD2 PRO 18 HD2 PRO 18 11.376 -1.452 0.409
152 HD3 PRO 18 HD1 PRO 18 10.002 -2.474 0.007
153 H LYS 19 HN LYS 19 11.143 2.915 -0.350
154 HA LYS 19 HA LYS 19 13.718 2.779 -1.515
155 HB2 LYS 19 HB2 LYS 19 14.112 4.964 -0.501
156 HB3 LYS 19 HB1 LYS 19 12.530 4.907 -1.264
157 HG2 LYS 19 HG2 LYS 19 11.537 5.465 0.631
158 HG3 LYS 19 HG1 LYS 19 12.299 4.120 1.479
159 HD2 LYS 19 HD2 LYS 19 14.208 6.227 0.999
160 HD3 LYS 19 HD1 LYS 19 12.787 6.857 1.831
161 HE2 LYS 19 HE2 LYS 19 13.506 5.985 3.740
162 HE3 LYS 19 HE1 LYS 19 13.484 4.373 3.026
163 HZ1 LYS 19 HZ1 LYS 19 15.719 4.690 2.247
164 HZ2 LYS 19 HZ2 LYS 19 15.672 5.005 3.908
165 HZ3 LYS 19 HZ3 LYS 19 15.745 6.287 2.806
166 H VAL 20 HN VAL 20 12.473 2.147 1.681
167 HA VAL 20 HA VAL 20 13.415 1.272 3.559
168 HB VAL 20 HB VAL 20 15.755 0.487 1.824
169 HG11 VAL 20 1HG1 VAL 20 16.348 0.015 4.010
170 HG12 VAL 20 2HG1 VAL 20 15.623 -1.504 3.484
171 HG13 VAL 20 3HG1 VAL 20 14.696 -0.383 4.482
172 HG21 VAL 20 1HG2 VAL 20 14.197 -0.582 0.591
173 HG22 VAL 20 2HG2 VAL 20 12.978 -0.493 1.862
174 HG23 VAL 20 3HG2 VAL 20 14.225 -1.738 1.923
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -15.599 -0.861 1.360
2 H2 GLY 1 HT2 GLY 1 -15.084 -2.249 2.177
3 H3 GLY 1 HT3 GLY 1 -15.977 -2.392 0.748
4 HA2 GLY 1 HA1 GLY 1 -13.282 -1.164 0.925
5 HA3 GLY 1 HA2 GLY 1 -13.576 -2.827 0.443
6 H LEU 2 HN LEU 2 -12.497 -2.264 -1.552
7 HA LEU 2 HA LEU 2 -12.509 -1.806 -3.779
8 HB2 LEU 2 HB2 LEU 2 -15.474 -1.527 -3.284
9 HB3 LEU 2 HB1 LEU 2 -14.745 -1.435 -4.875
10 HG LEU 2 HG LEU 2 -15.730 -3.642 -4.415
11 HD11 LEU 2 1HD1 LEU 2 -13.568 -4.970 -4.850
12 HD12 LEU 2 2HD1 LEU 2 -12.780 -3.393 -4.858
13 HD13 LEU 2 3HD1 LEU 2 -14.057 -3.744 -6.021
14 HD21 LEU 2 1HD2 LEU 2 -15.137 -3.500 -1.928
15 HD22 LEU 2 2HD2 LEU 2 -13.547 -4.091 -2.408
16 HD23 LEU 2 3HD2 LEU 2 -14.981 -5.068 -2.722
17 H GLY 3 HN GLY 3 -11.283 0.089 -3.082
18 HA2 GLY 3 HA2 GLY 3 -11.010 2.298 -4.049
19 HA3 GLY 3 HA1 GLY 3 -12.725 2.571 -3.769
20 H SER 4 HN SER 4 -12.732 1.421 -1.121
21 HA SER 4 HA SER 4 -11.764 3.727 0.345
22 HB2 SER 4 HB2 SER 4 -12.885 1.432 1.842
23 HB3 SER 4 HB1 SER 4 -13.273 3.147 1.955
24 HG SER 4 HG SER 4 -14.339 2.795 -0.165
25 H VAL 5 HN VAL 5 -11.141 0.321 0.004
26 HA VAL 5 HA VAL 5 -9.153 0.123 2.053
27 HB VAL 5 HB VAL 5 -9.391 -1.661 -0.324
28 HG11 VAL 5 1HG1 VAL 5 -7.514 -1.954 1.290
29 HG12 VAL 5 2HG1 VAL 5 -8.550 -3.373 1.135
30 HG13 VAL 5 3HG1 VAL 5 -8.706 -2.316 2.538
31 HG21 VAL 5 1HG2 VAL 5 -11.408 -1.179 1.707
32 HG22 VAL 5 2HG2 VAL 5 -10.915 -2.871 1.647
33 HG23 VAL 5 3HG2 VAL 5 -11.525 -2.078 0.194
34 H PHE 6 HN PHE 6 -9.242 0.867 -1.352
35 HA PHE 6 HA PHE 6 -6.731 0.406 -2.265
36 HB2 PHE 6 HB2 PHE 6 -7.642 1.497 -3.993
37 HB3 PHE 6 HB1 PHE 6 -8.892 2.160 -2.949
38 HD1 PHE 6 HD1 PHE 6 -5.834 2.817 -4.758
39 HD2 PHE 6 HD2 PHE 6 -8.539 4.357 -1.857
40 HE1 PHE 6 HE1 PHE 6 -4.893 5.066 -5.082
41 HE2 PHE 6 HE2 PHE 6 -7.603 6.610 -2.175
42 HZ PHE 6 HZ PHE 6 -5.778 6.967 -3.789
43 H GLY 7 HN GLY 7 -7.669 2.634 0.194
44 HA2 GLY 7 HA2 GLY 7 -5.331 4.276 0.163
45 HA3 GLY 7 HA1 GLY 7 -6.474 4.123 1.491
46 H ARG 8 HN ARG 8 -6.276 1.362 1.909
47 HA ARG 8 HA ARG 8 -3.921 1.243 3.518
48 HB2 ARG 8 HB2 ARG 8 -6.230 -0.560 2.952
49 HB3 ARG 8 HB1 ARG 8 -4.779 -1.269 3.649
50 HG2 ARG 8 HG2 ARG 8 -6.226 -0.734 5.442
51 HG3 ARG 8 HG1 ARG 8 -4.922 0.456 5.461
52 HD2 ARG 8 HD2 ARG 8 -6.499 1.917 4.064
53 HD3 ARG 8 HD1 ARG 8 -7.766 0.798 4.565
54 HE ARG 8 HE ARG 8 -6.477 2.800 6.176
55 HH11 ARG 8 1HH1 ARG 8 -8.248 -0.207 6.218
56 HH12 ARG 8 2HH1 ARG 8 -8.832 0.016 7.832
57 HH21 ARG 8 1HH2 ARG 8 -7.248 3.094 8.300
58 HH22 ARG 8 2HH2 ARG 8 -8.266 1.888 9.013
59 H LEU 9 HN LEU 9 -5.043 -0.654 0.697
60 HA LEU 9 HA LEU 9 -2.767 -2.209 0.355
61 HB2 LEU 9 HB2 LEU 9 -4.756 -1.125 -1.623
62 HB3 LEU 9 HB1 LEU 9 -3.445 -2.180 -2.116
63 HG LEU 9 HG LEU 9 -4.611 -3.546 -0.004
64 HD11 LEU 9 1HD1 LEU 9 -6.475 -1.726 -0.457
65 HD12 LEU 9 2HD1 LEU 9 -6.881 -3.398 -0.072
66 HD13 LEU 9 3HD1 LEU 9 -6.909 -2.848 -1.747
67 HD21 LEU 9 1HD2 LEU 9 -4.523 -3.763 -2.948
68 HD22 LEU 9 2HD2 LEU 9 -5.726 -4.752 -2.119
69 HD23 LEU 9 3HD2 LEU 9 -4.018 -4.910 -1.707
70 H ALA 10 HN ALA 10 -3.402 1.087 -0.617
71 HA ALA 10 HA ALA 10 -1.439 1.633 -2.436
72 HB1 ALA 10 HB1 ALA 10 -1.448 3.947 -1.522
73 HB2 ALA 10 HB2 ALA 10 -2.443 3.362 -0.189
74 HB3 ALA 10 HB3 ALA 10 -3.051 3.287 -1.843
75 H ARG 11 HN ARG 11 -0.976 0.813 0.880
76 HA ARG 11 HA ARG 11 1.694 1.894 0.982
77 HB2 ARG 11 HB2 ARG 11 1.706 1.383 3.274
78 HB3 ARG 11 HB1 ARG 11 0.063 1.910 2.942
79 HG2 ARG 11 HG2 ARG 11 -0.269 -0.715 2.601
80 HG3 ARG 11 HG1 ARG 11 1.087 -0.748 3.727
81 HD2 ARG 11 HD2 ARG 11 -1.650 0.424 4.115
82 HD3 ARG 11 HD1 ARG 11 -0.832 -0.805 5.078
83 HE ARG 11 HE ARG 11 0.690 1.520 5.223
84 HH11 ARG 11 1HH1 ARG 11 -2.467 0.397 6.190
85 HH12 ARG 11 2HH1 ARG 11 -2.575 1.473 7.542
86 HH21 ARG 11 1HH2 ARG 11 0.550 2.943 6.998
87 HH22 ARG 11 2HH2 ARG 11 -0.863 2.921 8.001
88 H ILE 12 HN ILE 12 0.122 -1.308 0.886
89 HA ILE 12 HA ILE 12 2.400 -2.854 1.277
90 HB ILE 12 HB ILE 12 1.320 -4.641 0.004
91 HG12 ILE 12 2HG1 ILE 12 -1.144 -3.021 -0.383
92 HG13 ILE 12 1HG1 ILE 12 0.166 -2.783 -1.532
93 HG21 ILE 12 1HG2 ILE 12 -0.795 -4.721 1.412
94 HG22 ILE 12 2HG2 ILE 12 -0.307 -3.144 2.032
95 HG23 ILE 12 3HG2 ILE 12 0.734 -4.547 2.272
96 HD11 ILE 12 1HD1 ILE 12 -0.450 -4.597 -2.624
97 HD12 ILE 12 2HD1 ILE 12 -1.781 -4.817 -1.487
98 HD13 ILE 12 3HD1 ILE 12 -0.218 -5.572 -1.173
99 H LEU 13 HN LEU 13 1.277 -1.200 -1.591
100 HA LEU 13 HA LEU 13 3.117 -2.402 -3.397
101 HB2 LEU 13 HB2 LEU 13 2.770 0.050 -4.498
102 HB3 LEU 13 HB1 LEU 13 1.673 -1.295 -4.731
103 HG LEU 13 HG LEU 13 1.113 0.401 -2.382
104 HD11 LEU 13 1HD1 LEU 13 -0.161 1.923 -4.136
105 HD12 LEU 13 2HD1 LEU 13 1.200 1.463 -5.159
106 HD13 LEU 13 3HD1 LEU 13 1.488 2.281 -3.623
107 HD21 LEU 13 1HD2 LEU 13 -1.142 -0.050 -2.986
108 HD22 LEU 13 2HD2 LEU 13 -0.251 -1.548 -3.235
109 HD23 LEU 13 3HD2 LEU 13 -0.682 -0.539 -4.614
110 H GLY 14 HN GLY 14 3.255 0.063 -0.988
111 HA2 GLY 14 HA2 GLY 14 5.922 0.926 -1.852
112 HA3 GLY 14 HA1 GLY 14 4.965 1.639 -0.560
113 H ARG 15 HN ARG 15 4.414 -1.256 0.334
114 HA ARG 15 HA ARG 15 6.842 -1.510 1.979
115 HB2 ARG 15 HB2 ARG 15 3.995 -2.407 2.349
116 HB3 ARG 15 HB1 ARG 15 5.295 -3.138 3.279
117 HG2 ARG 15 HG2 ARG 15 4.524 -1.482 4.687
118 HG3 ARG 15 HG1 ARG 15 5.903 -0.708 3.904
119 HD2 ARG 15 HD2 ARG 15 4.451 0.453 2.380
120 HD3 ARG 15 HD1 ARG 15 3.048 -0.425 2.987
121 HE ARG 15 HE ARG 15 4.207 1.913 4.111
122 HH11 ARG 15 1HH1 ARG 15 2.602 -1.066 4.979
123 HH12 ARG 15 2HH1 ARG 15 1.974 -0.439 6.466
124 HH21 ARG 15 1HH2 ARG 15 3.380 2.735 6.066
125 HH22 ARG 15 2HH2 ARG 15 2.415 1.718 7.083
126 H VAL 16 HN VAL 16 6.607 -2.428 -0.797
127 HA VAL 16 HA VAL 16 6.962 -5.333 -0.403
128 HB VAL 16 HB VAL 16 5.131 -4.909 -1.971
129 HG11 VAL 16 1HG1 VAL 16 5.319 -3.641 -3.936
130 HG12 VAL 16 2HG1 VAL 16 7.075 -3.543 -3.806
131 HG13 VAL 16 3HG1 VAL 16 6.056 -2.652 -2.677
132 HG21 VAL 16 1HG2 VAL 16 7.680 -6.027 -3.085
133 HG22 VAL 16 2HG2 VAL 16 6.194 -6.019 -4.034
134 HG23 VAL 16 3HG2 VAL 16 6.253 -6.882 -2.497
135 H ILE 17 HN ILE 17 7.973 -2.490 -2.180
136 HA ILE 17 HA ILE 17 10.720 -3.187 -1.724
137 HB ILE 17 HB ILE 17 9.734 -2.705 -4.551
138 HG12 ILE 17 2HG1 ILE 17 9.242 -4.996 -3.734
139 HG13 ILE 17 1HG1 ILE 17 10.416 -4.982 -5.045
140 HG21 ILE 17 1HG2 ILE 17 12.316 -3.552 -4.750
141 HG22 ILE 17 2HG2 ILE 17 12.366 -2.584 -3.276
142 HG23 ILE 17 3HG2 ILE 17 11.798 -1.866 -4.783
143 HD11 ILE 17 1HD1 ILE 17 10.664 -6.279 -2.628
144 HD12 ILE 17 2HD1 ILE 17 11.689 -4.855 -2.450
145 HD13 ILE 17 3HD1 ILE 17 11.953 -5.969 -3.791
146 HA PRO 18 HA PRO 18 9.781 1.211 -1.458
147 HB2 PRO 18 HB2 PRO 18 10.576 1.208 1.269
148 HB3 PRO 18 HB1 PRO 18 8.923 1.255 0.654
149 HG2 PRO 18 HG2 PRO 18 10.045 -0.851 2.077
150 HG3 PRO 18 HG1 PRO 18 8.606 -0.974 1.049
151 HD2 PRO 18 HD2 PRO 18 11.428 -1.547 0.380
152 HD3 PRO 18 HD1 PRO 18 10.018 -2.526 -0.001
153 H LYS 19 HN LYS 19 11.305 2.830 -0.308
154 HA LYS 19 HA LYS 19 13.869 2.604 -1.510
155 HB2 LYS 19 HB2 LYS 19 14.320 4.802 -0.569
156 HB3 LYS 19 HB1 LYS 19 12.718 4.768 -1.293
157 HG2 LYS 19 HG2 LYS 19 11.792 5.406 0.612
158 HG3 LYS 19 HG1 LYS 19 12.527 4.052 1.470
159 HD2 LYS 19 HD2 LYS 19 14.529 6.027 0.936
160 HD3 LYS 19 HD1 LYS 19 13.139 6.802 1.695
161 HE2 LYS 19 HE2 LYS 19 13.711 5.971 3.673
162 HE3 LYS 19 HE1 LYS 19 13.685 4.331 3.027
163 HZ1 LYS 19 HZ1 LYS 19 15.959 4.589 2.313
164 HZ2 LYS 19 HZ2 LYS 19 15.846 4.932 3.966
165 HZ3 LYS 19 HZ3 LYS 19 15.991 6.194 2.848
166 H VAL 20 HN VAL 20 12.606 2.092 1.702
167 HA VAL 20 HA VAL 20 13.522 1.224 3.595
168 HB VAL 20 HB VAL 20 15.843 0.358 1.874
169 HG11 VAL 20 1HG1 VAL 20 16.503 -0.164 3.994
170 HG12 VAL 20 2HG1 VAL 20 15.563 -1.609 3.623
171 HG13 VAL 20 3HG1 VAL 20 14.851 -0.318 4.591
172 HG21 VAL 20 1HG2 VAL 20 14.259 -0.712 0.676
173 HG22 VAL 20 2HG2 VAL 20 13.050 -0.576 1.954
174 HG23 VAL 20 3HG2 VAL 20 14.280 -1.838 2.033
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -15.773 -0.855 0.674
2 H2 GLY 1 HT2 GLY 1 -14.195 -0.297 0.911
3 H3 GLY 1 HT3 GLY 1 -15.082 -0.900 2.218
4 HA2 GLY 1 HA1 GLY 1 -13.431 -2.506 1.450
5 HA3 GLY 1 HA2 GLY 1 -15.076 -3.105 1.296
6 H LEU 2 HN LEU 2 -12.978 -1.000 -0.677
7 HA LEU 2 HA LEU 2 -12.504 -2.778 -2.753
8 HB2 LEU 2 HB2 LEU 2 -15.188 -2.021 -2.731
9 HB3 LEU 2 HB1 LEU 2 -14.467 -1.018 -3.974
10 HG LEU 2 HG LEU 2 -15.340 -3.004 -5.000
11 HD11 LEU 2 1HD1 LEU 2 -13.508 -3.606 -6.267
12 HD12 LEU 2 2HD1 LEU 2 -12.409 -3.568 -4.888
13 HD13 LEU 2 3HD1 LEU 2 -12.995 -2.060 -5.591
14 HD21 LEU 2 1HD2 LEU 2 -13.705 -4.481 -2.948
15 HD22 LEU 2 2HD2 LEU 2 -14.414 -5.243 -4.372
16 HD23 LEU 2 3HD2 LEU 2 -15.456 -4.507 -3.155
17 H GLY 3 HN GLY 3 -13.777 0.548 -2.858
18 HA2 GLY 3 HA2 GLY 3 -11.262 1.397 -4.116
19 HA3 GLY 3 HA1 GLY 3 -12.782 2.280 -4.158
20 H SER 4 HN SER 4 -12.958 1.584 -1.152
21 HA SER 4 HA SER 4 -11.683 4.021 -0.248
22 HB2 SER 4 HB2 SER 4 -12.948 2.206 1.728
23 HB3 SER 4 HB1 SER 4 -13.126 3.949 1.522
24 HG SER 4 HG SER 4 -14.354 3.342 -0.447
25 H VAL 5 HN VAL 5 -11.164 0.633 -0.211
26 HA VAL 5 HA VAL 5 -9.304 0.487 1.948
27 HB VAL 5 HB VAL 5 -9.448 -1.328 -0.415
28 HG11 VAL 5 1HG1 VAL 5 -7.727 -1.360 1.663
29 HG12 VAL 5 2HG1 VAL 5 -8.211 -2.800 0.768
30 HG13 VAL 5 3HG1 VAL 5 -9.005 -2.400 2.290
31 HG21 VAL 5 1HG2 VAL 5 -11.593 -0.752 1.292
32 HG22 VAL 5 2HG2 VAL 5 -10.974 -2.317 1.816
33 HG23 VAL 5 3HG2 VAL 5 -11.470 -2.082 0.141
34 H PHE 6 HN PHE 6 -9.189 1.361 -1.385
35 HA PHE 6 HA PHE 6 -6.693 0.840 -2.276
36 HB2 PHE 6 HB2 PHE 6 -7.219 2.322 -3.892
37 HB3 PHE 6 HB1 PHE 6 -8.744 2.510 -3.031
38 HD1 PHE 6 HD1 PHE 6 -5.789 4.134 -4.183
39 HD2 PHE 6 HD2 PHE 6 -8.890 4.355 -1.277
40 HE1 PHE 6 HE1 PHE 6 -5.295 6.520 -3.843
41 HE2 PHE 6 HE2 PHE 6 -8.403 6.741 -0.932
42 HZ PHE 6 HZ PHE 6 -6.603 7.827 -2.216
43 H GLY 7 HN GLY 7 -7.556 2.895 0.352
44 HA2 GLY 7 HA2 GLY 7 -5.167 4.435 0.507
45 HA3 GLY 7 HA1 GLY 7 -6.310 4.168 1.818
46 H ARG 8 HN ARG 8 -6.177 1.374 1.946
47 HA ARG 8 HA ARG 8 -3.795 1.048 3.492
48 HB2 ARG 8 HB2 ARG 8 -6.240 -0.511 2.943
49 HB3 ARG 8 HB1 ARG 8 -4.808 -1.473 3.277
50 HG2 ARG 8 HG2 ARG 8 -5.464 -1.237 5.407
51 HG3 ARG 8 HG1 ARG 8 -4.652 0.325 5.278
52 HD2 ARG 8 HD2 ARG 8 -7.502 0.129 4.447
53 HD3 ARG 8 HD1 ARG 8 -7.128 0.125 6.170
54 HE ARG 8 HE ARG 8 -5.728 2.244 5.155
55 HH11 ARG 8 1HH1 ARG 8 -9.080 1.279 5.173
56 HH12 ARG 8 2HH1 ARG 8 -9.678 2.904 5.146
57 HH21 ARG 8 1HH2 ARG 8 -6.514 4.384 5.123
58 HH22 ARG 8 2HH2 ARG 8 -8.223 4.666 5.118
59 H LEU 9 HN LEU 9 -5.052 -0.565 0.557
60 HA LEU 9 HA LEU 9 -2.851 -2.149 -0.011
61 HB2 LEU 9 HB2 LEU 9 -4.943 -0.858 -1.715
62 HB3 LEU 9 HB1 LEU 9 -3.607 -1.694 -2.483
63 HG LEU 9 HG LEU 9 -4.395 -3.599 -0.740
64 HD11 LEU 9 1HD1 LEU 9 -6.809 -1.924 -1.361
65 HD12 LEU 9 2HD1 LEU 9 -6.246 -2.504 0.207
66 HD13 LEU 9 3HD1 LEU 9 -6.923 -3.638 -0.962
67 HD21 LEU 9 1HD2 LEU 9 -4.219 -3.392 -3.393
68 HD22 LEU 9 2HD2 LEU 9 -5.976 -3.444 -3.239
69 HD23 LEU 9 3HD2 LEU 9 -4.995 -4.761 -2.595
70 H ALA 10 HN ALA 10 -3.355 1.260 -0.617
71 HA ALA 10 HA ALA 10 -1.379 1.878 -2.425
72 HB1 ALA 10 HB1 ALA 10 -2.395 3.435 -0.064
73 HB2 ALA 10 HB2 ALA 10 -2.889 3.568 -1.752
74 HB3 ALA 10 HB3 ALA 10 -1.284 4.107 -1.258
75 H ARG 11 HN ARG 11 -0.970 0.783 0.813
76 HA ARG 11 HA ARG 11 1.732 1.763 1.023
77 HB2 ARG 11 HB2 ARG 11 1.695 1.085 3.264
78 HB3 ARG 11 HB1 ARG 11 0.062 1.651 2.956
79 HG2 ARG 11 HG2 ARG 11 -0.294 -0.935 2.414
80 HG3 ARG 11 HG1 ARG 11 1.051 -1.071 3.545
81 HD2 ARG 11 HD2 ARG 11 -1.642 0.189 4.009
82 HD3 ARG 11 HD1 ARG 11 -0.953 -1.219 4.815
83 HE ARG 11 HE ARG 11 0.648 1.104 5.202
84 HH11 ARG 11 1HH1 ARG 11 -2.256 -0.494 6.292
85 HH12 ARG 11 2HH1 ARG 11 -2.224 0.243 7.859
86 HH21 ARG 11 1HH2 ARG 11 0.694 2.074 7.264
87 HH22 ARG 11 2HH2 ARG 11 -0.549 1.700 8.411
88 H ILE 12 HN ILE 12 0.073 -1.384 0.677
89 HA ILE 12 HA ILE 12 2.300 -3.016 0.935
90 HB ILE 12 HB ILE 12 1.197 -4.642 -0.523
91 HG12 ILE 12 2HG1 ILE 12 -1.227 -2.935 -0.759
92 HG13 ILE 12 1HG1 ILE 12 0.097 -2.610 -1.868
93 HG21 ILE 12 1HG2 ILE 12 -1.070 -4.551 0.864
94 HG22 ILE 12 2HG2 ILE 12 -0.153 -3.346 1.770
95 HG23 ILE 12 3HG2 ILE 12 0.473 -4.986 1.600
96 HD11 ILE 12 1HD1 ILE 12 -0.398 -4.375 -3.109
97 HD12 ILE 12 2HD1 ILE 12 -1.900 -4.477 -2.191
98 HD13 ILE 12 3HD1 ILE 12 -0.501 -5.432 -1.701
99 H LEU 13 HN LEU 13 1.246 -1.111 -1.806
100 HA LEU 13 HA LEU 13 3.087 -2.191 -3.681
101 HB2 LEU 13 HB2 LEU 13 2.793 0.347 -4.584
102 HB3 LEU 13 HB1 LEU 13 1.680 -0.958 -4.936
103 HG LEU 13 HG LEU 13 1.098 0.535 -2.464
104 HD11 LEU 13 1HD1 LEU 13 -0.103 2.207 -4.192
105 HD12 LEU 13 2HD1 LEU 13 1.390 1.880 -5.072
106 HD13 LEU 13 3HD1 LEU 13 1.457 2.538 -3.437
107 HD21 LEU 13 1HD2 LEU 13 -1.163 0.256 -3.229
108 HD22 LEU 13 2HD2 LEU 13 -0.309 -1.268 -3.456
109 HD23 LEU 13 3HD2 LEU 13 -0.610 -0.212 -4.835
110 H GLY 14 HN GLY 14 3.238 0.120 -1.113
111 HA2 GLY 14 HA2 GLY 14 5.945 0.950 -1.892
112 HA3 GLY 14 HA1 GLY 14 4.980 1.639 -0.592
113 H ARG 15 HN ARG 15 4.373 -1.342 0.094
114 HA ARG 15 HA ARG 15 6.717 -1.675 1.838
115 HB2 ARG 15 HB2 ARG 15 3.856 -2.553 2.019
116 HB3 ARG 15 HB1 ARG 15 5.092 -3.403 2.935
117 HG2 ARG 15 HG2 ARG 15 4.293 -1.837 4.439
118 HG3 ARG 15 HG1 ARG 15 5.748 -1.070 3.801
119 HD2 ARG 15 HD2 ARG 15 4.349 0.180 2.201
120 HD3 ARG 15 HD1 ARG 15 2.912 -0.541 2.923
121 HE ARG 15 HE ARG 15 4.385 1.677 3.912
122 HH11 ARG 15 1HH1 ARG 15 2.548 -1.105 4.953
123 HH12 ARG 15 2HH1 ARG 15 2.089 -0.390 6.462
124 HH21 ARG 15 1HH2 ARG 15 3.775 2.617 5.890
125 HH22 ARG 15 2HH2 ARG 15 2.783 1.723 6.993
126 H VAL 16 HN VAL 16 6.645 -2.421 -0.991
127 HA VAL 16 HA VAL 16 6.992 -5.343 -0.765
128 HB VAL 16 HB VAL 16 5.248 -4.791 -2.403
129 HG11 VAL 16 1HG1 VAL 16 6.234 -2.513 -2.925
130 HG12 VAL 16 2HG1 VAL 16 5.570 -3.420 -4.282
131 HG13 VAL 16 3HG1 VAL 16 7.315 -3.350 -4.036
132 HG21 VAL 16 1HG2 VAL 16 7.655 -5.605 -3.994
133 HG22 VAL 16 2HG2 VAL 16 5.992 -6.179 -4.121
134 HG23 VAL 16 3HG2 VAL 16 6.985 -6.652 -2.742
135 H ILE 17 HN ILE 17 8.082 -2.393 -2.303
136 HA ILE 17 HA ILE 17 10.804 -3.078 -1.712
137 HB ILE 17 HB ILE 17 9.987 -2.495 -4.573
138 HG12 ILE 17 2HG1 ILE 17 9.512 -4.828 -3.885
139 HG13 ILE 17 1HG1 ILE 17 10.777 -4.734 -5.105
140 HG21 ILE 17 1HG2 ILE 17 12.037 -1.557 -4.574
141 HG22 ILE 17 2HG2 ILE 17 12.576 -3.231 -4.707
142 HG23 ILE 17 3HG2 ILE 17 12.556 -2.433 -3.134
143 HD11 ILE 17 1HD1 ILE 17 10.886 -6.110 -2.719
144 HD12 ILE 17 2HD1 ILE 17 11.857 -4.668 -2.422
145 HD13 ILE 17 3HD1 ILE 17 12.245 -5.730 -3.776
146 HA PRO 18 HA PRO 18 9.783 1.289 -1.303
147 HB2 PRO 18 HB2 PRO 18 10.429 1.171 1.460
148 HB3 PRO 18 HB1 PRO 18 8.812 1.222 0.757
149 HG2 PRO 18 HG2 PRO 18 9.893 -0.932 2.142
150 HG3 PRO 18 HG1 PRO 18 8.513 -1.027 1.035
151 HD2 PRO 18 HD2 PRO 18 11.372 -1.533 0.494
152 HD3 PRO 18 HD1 PRO 18 9.998 -2.507 -0.011
153 H LYS 19 HN LYS 19 11.213 2.877 -0.006
154 HA LYS 19 HA LYS 19 13.795 2.839 -1.121
155 HB2 LYS 19 HB2 LYS 19 14.179 4.913 0.020
156 HB3 LYS 19 HB1 LYS 19 12.519 4.907 -0.558
157 HG2 LYS 19 HG2 LYS 19 11.798 5.334 1.486
158 HG3 LYS 19 HG1 LYS 19 12.524 3.835 2.067
159 HD2 LYS 19 HD2 LYS 19 14.657 5.615 1.784
160 HD3 LYS 19 HD1 LYS 19 13.354 6.572 2.488
161 HE2 LYS 19 HE2 LYS 19 13.574 5.571 4.467
162 HE3 LYS 19 HE1 LYS 19 13.568 3.967 3.736
163 HZ1 LYS 19 HZ1 LYS 19 15.933 4.293 3.197
164 HZ2 LYS 19 HZ2 LYS 19 15.639 4.328 4.862
165 HZ3 LYS 19 HZ3 LYS 19 15.910 5.770 4.022
166 H VAL 20 HN VAL 20 12.534 1.819 1.960
167 HA VAL 20 HA VAL 20 13.458 0.657 3.683
168 HB VAL 20 HB VAL 20 15.882 0.276 1.925
169 HG11 VAL 20 1HG1 VAL 20 16.491 -0.505 4.003
170 HG12 VAL 20 2HG1 VAL 20 15.805 -1.958 3.276
171 HG13 VAL 20 3HG1 VAL 20 14.852 -1.007 4.415
172 HG21 VAL 20 1HG2 VAL 20 14.405 -0.677 0.509
173 HG22 VAL 20 2HG2 VAL 20 13.169 -0.864 1.753
174 HG23 VAL 20 3HG2 VAL 20 14.496 -2.022 1.647
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -16.130 -1.329 0.688
2 H2 GLY 1 HT2 GLY 1 -15.333 -1.373 2.179
3 H3 GLY 1 HT3 GLY 1 -15.684 -2.814 1.365
4 HA2 GLY 1 HA1 GLY 1 -13.458 -1.036 1.059
5 HA3 GLY 1 HA2 GLY 1 -13.619 -2.717 0.574
6 H LEU 2 HN LEU 2 -12.479 -2.175 -1.371
7 HA LEU 2 HA LEU 2 -12.392 -1.766 -3.606
8 HB2 LEU 2 HB2 LEU 2 -15.378 -1.485 -3.258
9 HB3 LEU 2 HB1 LEU 2 -14.575 -1.406 -4.813
10 HG LEU 2 HG LEU 2 -15.591 -3.615 -4.339
11 HD11 LEU 2 1HD1 LEU 2 -13.913 -4.797 -5.363
12 HD12 LEU 2 2HD1 LEU 2 -12.643 -4.044 -4.398
13 HD13 LEU 2 3HD1 LEU 2 -13.411 -3.141 -5.704
14 HD21 LEU 2 1HD2 LEU 2 -15.079 -3.510 -1.867
15 HD22 LEU 2 2HD2 LEU 2 -13.425 -3.962 -2.281
16 HD23 LEU 2 3HD2 LEU 2 -14.758 -5.053 -2.658
17 H GLY 3 HN GLY 3 -11.156 0.094 -3.270
18 HA2 GLY 3 HA2 GLY 3 -10.865 2.294 -4.136
19 HA3 GLY 3 HA1 GLY 3 -12.586 2.578 -3.908
20 H SER 4 HN SER 4 -12.692 1.521 -1.238
21 HA SER 4 HA SER 4 -11.727 3.851 0.191
22 HB2 SER 4 HB2 SER 4 -12.963 1.621 1.702
23 HB3 SER 4 HB1 SER 4 -13.300 3.350 1.768
24 HG SER 4 HG SER 4 -14.491 3.137 -0.145
25 H VAL 5 HN VAL 5 -11.133 0.433 -0.056
26 HA VAL 5 HA VAL 5 -9.245 0.256 2.091
27 HB VAL 5 HB VAL 5 -9.419 -1.583 -0.249
28 HG11 VAL 5 1HG1 VAL 5 -7.729 -1.643 1.824
29 HG12 VAL 5 2HG1 VAL 5 -8.305 -3.103 1.018
30 HG13 VAL 5 3HG1 VAL 5 -9.062 -2.566 2.518
31 HG21 VAL 5 1HG2 VAL 5 -11.666 -1.532 0.301
32 HG22 VAL 5 2HG2 VAL 5 -11.346 -1.288 2.018
33 HG23 VAL 5 3HG2 VAL 5 -11.077 -2.870 1.286
34 H PHE 6 HN PHE 6 -9.176 0.943 -1.320
35 HA PHE 6 HA PHE 6 -6.658 0.408 -2.152
36 HB2 PHE 6 HB2 PHE 6 -7.234 1.708 -3.894
37 HB3 PHE 6 HB1 PHE 6 -8.732 2.033 -3.027
38 HD1 PHE 6 HD1 PHE 6 -5.953 3.485 -4.582
39 HD2 PHE 6 HD2 PHE 6 -8.571 3.986 -1.266
40 HE1 PHE 6 HE1 PHE 6 -5.365 5.873 -4.483
41 HE2 PHE 6 HE2 PHE 6 -7.994 6.375 -1.163
42 HZ PHE 6 HZ PHE 6 -6.387 7.321 -2.773
43 H GLY 7 HN GLY 7 -7.582 2.671 0.286
44 HA2 GLY 7 HA2 GLY 7 -5.242 4.274 0.331
45 HA3 GLY 7 HA1 GLY 7 -6.363 4.053 1.670
46 H ARG 8 HN ARG 8 -6.138 1.277 1.954
47 HA ARG 8 HA ARG 8 -3.713 1.115 3.473
48 HB2 ARG 8 HB2 ARG 8 -6.108 -0.597 3.047
49 HB3 ARG 8 HB1 ARG 8 -4.637 -1.396 3.582
50 HG2 ARG 8 HG2 ARG 8 -5.547 -0.924 5.603
51 HG3 ARG 8 HG1 ARG 8 -4.649 0.574 5.350
52 HD2 ARG 8 HD2 ARG 8 -7.217 0.792 4.112
53 HD3 ARG 8 HD1 ARG 8 -7.420 0.250 5.778
54 HE ARG 8 HE ARG 8 -6.549 2.834 4.892
55 HH11 ARG 8 1HH1 ARG 8 -6.424 0.535 7.517
56 HH12 ARG 8 2HH1 ARG 8 -6.079 1.736 8.715
57 HH21 ARG 8 1HH2 ARG 8 -6.099 4.412 6.470
58 HH22 ARG 8 2HH2 ARG 8 -5.894 3.934 8.122
59 H LEU 9 HN LEU 9 -5.029 -0.672 0.668
60 HA LEU 9 HA LEU 9 -2.850 -2.309 0.170
61 HB2 LEU 9 HB2 LEU 9 -4.816 -1.026 -1.715
62 HB3 LEU 9 HB1 LEU 9 -3.605 -2.173 -2.259
63 HG LEU 9 HG LEU 9 -4.704 -3.629 -0.295
64 HD11 LEU 9 1HD1 LEU 9 -6.746 -1.603 -1.094
65 HD12 LEU 9 2HD1 LEU 9 -6.382 -2.268 0.499
66 HD13 LEU 9 3HD1 LEU 9 -7.246 -3.245 -0.688
67 HD21 LEU 9 1HD2 LEU 9 -4.970 -3.441 -3.169
68 HD22 LEU 9 2HD2 LEU 9 -6.429 -4.096 -2.426
69 HD23 LEU 9 3HD2 LEU 9 -4.870 -4.867 -2.137
70 H ALA 10 HN ALA 10 -3.381 1.036 -0.743
71 HA ALA 10 HA ALA 10 -1.368 1.512 -2.546
72 HB1 ALA 10 HB1 ALA 10 -2.688 3.188 -0.472
73 HB2 ALA 10 HB2 ALA 10 -2.728 3.324 -2.230
74 HB3 ALA 10 HB3 ALA 10 -1.294 3.835 -1.339
75 H ARG 11 HN ARG 11 -1.019 0.719 0.786
76 HA ARG 11 HA ARG 11 1.657 1.770 0.966
77 HB2 ARG 11 HB2 ARG 11 1.565 1.350 3.247
78 HB3 ARG 11 HB1 ARG 11 -0.107 1.717 2.861
79 HG2 ARG 11 HG2 ARG 11 -0.202 -0.929 2.573
80 HG3 ARG 11 HG1 ARG 11 1.133 -0.828 3.719
81 HD2 ARG 11 HD2 ARG 11 -1.725 -0.017 4.048
82 HD3 ARG 11 HD1 ARG 11 -0.714 -0.999 5.104
83 HE ARG 11 HE ARG 11 0.405 1.521 5.109
84 HH11 ARG 11 1HH1 ARG 11 -2.666 0.104 5.965
85 HH12 ARG 11 2HH1 ARG 11 -3.007 1.275 7.195
86 HH21 ARG 11 1HH2 ARG 11 -0.045 3.069 6.725
87 HH22 ARG 11 2HH2 ARG 11 -1.521 2.958 7.625
88 H ILE 12 HN ILE 12 0.074 -1.428 0.817
89 HA ILE 12 HA ILE 12 2.349 -2.975 1.241
90 HB ILE 12 HB ILE 12 1.287 -4.750 -0.069
91 HG12 ILE 12 2HG1 ILE 12 -1.187 -3.143 -0.434
92 HG13 ILE 12 1HG1 ILE 12 0.124 -2.861 -1.571
93 HG21 ILE 12 1HG2 ILE 12 -0.951 -4.650 1.323
94 HG22 ILE 12 2HG2 ILE 12 -0.136 -3.285 2.088
95 HG23 ILE 12 3HG2 ILE 12 0.612 -4.883 2.107
96 HD11 ILE 12 1HD1 ILE 12 -0.604 -4.595 -2.728
97 HD12 ILE 12 2HD1 ILE 12 -1.770 -5.004 -1.469
98 HD13 ILE 12 3HD1 ILE 12 -0.125 -5.635 -1.387
99 H LEU 13 HN LEU 13 1.259 -1.318 -1.631
100 HA LEU 13 HA LEU 13 3.129 -2.517 -3.413
101 HB2 LEU 13 HB2 LEU 13 2.748 -0.087 -4.548
102 HB3 LEU 13 HB1 LEU 13 1.682 -1.458 -4.775
103 HG LEU 13 HG LEU 13 1.041 0.243 -2.456
104 HD11 LEU 13 1HD1 LEU 13 -0.215 1.699 -4.331
105 HD12 LEU 13 2HD1 LEU 13 1.285 1.337 -5.185
106 HD13 LEU 13 3HD1 LEU 13 1.335 2.153 -3.622
107 HD21 LEU 13 1HD2 LEU 13 -1.192 -0.227 -3.126
108 HD22 LEU 13 2HD2 LEU 13 -0.279 -1.719 -3.338
109 HD23 LEU 13 3HD2 LEU 13 -0.676 -0.721 -4.736
110 H GLY 14 HN GLY 14 3.207 -0.005 -1.045
111 HA2 GLY 14 HA2 GLY 14 5.883 0.853 -1.898
112 HA3 GLY 14 HA1 GLY 14 4.899 1.607 -0.649
113 H ARG 15 HN ARG 15 4.356 -1.304 0.275
114 HA ARG 15 HA ARG 15 6.721 -1.466 2.015
115 HB2 ARG 15 HB2 ARG 15 3.867 -2.337 2.296
116 HB3 ARG 15 HB1 ARG 15 5.115 -3.105 3.268
117 HG2 ARG 15 HG2 ARG 15 4.309 -1.408 4.633
118 HG3 ARG 15 HG1 ARG 15 5.781 -0.723 3.941
119 HD2 ARG 15 HD2 ARG 15 4.408 0.409 2.230
120 HD3 ARG 15 HD1 ARG 15 2.957 -0.220 3.008
121 HE ARG 15 HE ARG 15 4.158 1.072 5.028
122 HH11 ARG 15 1HH1 ARG 15 3.455 2.047 1.749
123 HH12 ARG 15 2HH1 ARG 15 3.279 3.721 2.155
124 HH21 ARG 15 1HH2 ARG 15 3.926 3.269 5.560
125 HH22 ARG 15 2HH2 ARG 15 3.546 4.415 4.318
126 H VAL 16 HN VAL 16 6.617 -2.458 -0.746
127 HA VAL 16 HA VAL 16 7.005 -5.342 -0.261
128 HB VAL 16 HB VAL 16 5.214 -4.943 -1.900
129 HG11 VAL 16 1HG1 VAL 16 5.525 -3.803 -3.942
130 HG12 VAL 16 2HG1 VAL 16 7.267 -3.678 -3.693
131 HG13 VAL 16 3HG1 VAL 16 6.163 -2.743 -2.686
132 HG21 VAL 16 1HG2 VAL 16 7.675 -5.982 -3.291
133 HG22 VAL 16 2HG2 VAL 16 5.995 -6.420 -3.604
134 HG23 VAL 16 3HG2 VAL 16 6.762 -6.892 -2.088
135 H ILE 17 HN ILE 17 8.022 -2.541 -2.093
136 HA ILE 17 HA ILE 17 10.764 -3.136 -1.503
137 HB ILE 17 HB ILE 17 9.866 -2.857 -4.386
138 HG12 ILE 17 2HG1 ILE 17 9.475 -5.118 -3.456
139 HG13 ILE 17 1HG1 ILE 17 10.717 -5.119 -4.704
140 HG21 ILE 17 1HG2 ILE 17 11.886 -1.871 -4.544
141 HG22 ILE 17 2HG2 ILE 17 12.470 -3.535 -4.519
142 HG23 ILE 17 3HG2 ILE 17 12.469 -2.578 -3.037
143 HD11 ILE 17 1HD1 ILE 17 10.906 -6.229 -2.184
144 HD12 ILE 17 2HD1 ILE 17 11.842 -4.738 -2.068
145 HD13 ILE 17 3HD1 ILE 17 12.234 -5.932 -3.306
146 HA PRO 18 HA PRO 18 9.699 1.237 -1.488
147 HB2 PRO 18 HB2 PRO 18 10.430 1.396 1.251
148 HB3 PRO 18 HB1 PRO 18 8.791 1.359 0.600
149 HG2 PRO 18 HG2 PRO 18 9.952 -0.637 2.151
150 HG3 PRO 18 HG1 PRO 18 8.535 -0.855 1.111
151 HD2 PRO 18 HD2 PRO 18 11.379 -1.385 0.520
152 HD3 PRO 18 HD1 PRO 18 10.000 -2.413 0.156
153 H LYS 19 HN LYS 19 11.150 2.955 -0.404
154 HA LYS 19 HA LYS 19 13.710 2.800 -1.578
155 HB2 LYS 19 HB2 LYS 19 14.107 4.997 -0.629
156 HB3 LYS 19 HB1 LYS 19 12.485 4.919 -1.301
157 HG2 LYS 19 HG2 LYS 19 11.579 5.457 0.644
158 HG3 LYS 19 HG1 LYS 19 12.448 4.164 1.469
159 HD2 LYS 19 HD2 LYS 19 14.207 6.363 0.795
160 HD3 LYS 19 HD1 LYS 19 12.840 6.905 1.769
161 HE2 LYS 19 HE2 LYS 19 13.971 6.189 3.549
162 HE3 LYS 19 HE1 LYS 19 13.645 4.550 2.989
163 HZ1 LYS 19 HZ1 LYS 19 15.724 4.562 1.790
164 HZ2 LYS 19 HZ2 LYS 19 16.006 4.933 3.416
165 HZ3 LYS 19 HZ3 LYS 19 16.030 6.161 2.252
166 H VAL 20 HN VAL 20 12.513 2.141 1.625
167 HA VAL 20 HA VAL 20 13.490 1.279 3.492
168 HB VAL 20 HB VAL 20 15.805 0.525 1.708
169 HG11 VAL 20 1HG1 VAL 20 16.518 -0.008 3.814
170 HG12 VAL 20 2HG1 VAL 20 15.641 -1.485 3.412
171 HG13 VAL 20 3HG1 VAL 20 14.882 -0.257 4.425
172 HG21 VAL 20 1HG2 VAL 20 14.225 -0.564 0.520
173 HG22 VAL 20 2HG2 VAL 20 13.045 -0.499 1.829
174 HG23 VAL 20 3HG2 VAL 20 14.316 -1.721 1.848
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -15.056 -1.738 2.264
2 H2 GLY 1 HT2 GLY 1 -15.593 -3.009 1.286
3 H3 GLY 1 HT3 GLY 1 -15.946 -1.411 0.862
4 HA2 GLY 1 HA1 GLY 1 -13.263 -1.334 1.021
5 HA3 GLY 1 HA2 GLY 1 -13.549 -2.958 0.414
6 H LEU 2 HN LEU 2 -12.516 -2.298 -1.557
7 HA LEU 2 HA LEU 2 -12.536 -1.651 -3.738
8 HB2 LEU 2 HB2 LEU 2 -15.498 -1.384 -3.214
9 HB3 LEU 2 HB1 LEU 2 -14.762 -1.257 -4.799
10 HG LEU 2 HG LEU 2 -15.736 -3.457 -4.500
11 HD11 LEU 2 1HD1 LEU 2 -13.925 -4.751 -5.241
12 HD12 LEU 2 2HD1 LEU 2 -12.759 -3.801 -4.319
13 HD13 LEU 2 3HD1 LEU 2 -13.543 -3.102 -5.737
14 HD21 LEU 2 1HD2 LEU 2 -15.350 -3.349 -1.947
15 HD22 LEU 2 2HD2 LEU 2 -13.775 -4.051 -2.318
16 HD23 LEU 2 3HD2 LEU 2 -15.250 -4.912 -2.760
17 H GLY 3 HN GLY 3 -11.294 0.196 -3.265
18 HA2 GLY 3 HA2 GLY 3 -11.067 2.463 -3.956
19 HA3 GLY 3 HA1 GLY 3 -12.780 2.700 -3.639
20 H SER 4 HN SER 4 -12.715 1.405 -1.041
21 HA SER 4 HA SER 4 -11.760 3.660 0.509
22 HB2 SER 4 HB2 SER 4 -12.885 1.190 1.775
23 HB3 SER 4 HB1 SER 4 -13.095 2.878 2.238
24 HG SER 4 HG SER 4 -14.318 3.037 0.182
25 H VAL 5 HN VAL 5 -11.097 0.274 0.036
26 HA VAL 5 HA VAL 5 -9.045 0.036 2.014
27 HB VAL 5 HB VAL 5 -9.330 -1.670 -0.413
28 HG11 VAL 5 1HG1 VAL 5 -7.450 -1.897 1.331
29 HG12 VAL 5 2HG1 VAL 5 -8.304 -3.357 0.830
30 HG13 VAL 5 3HG1 VAL 5 -8.697 -2.589 2.368
31 HG21 VAL 5 1HG2 VAL 5 -11.460 -2.084 0.138
32 HG22 VAL 5 2HG2 VAL 5 -11.295 -1.282 1.699
33 HG23 VAL 5 3HG2 VAL 5 -10.810 -2.968 1.518
34 H PHE 6 HN PHE 6 -9.236 0.823 -1.387
35 HA PHE 6 HA PHE 6 -6.739 0.441 -2.367
36 HB2 PHE 6 HB2 PHE 6 -7.684 1.567 -4.057
37 HB3 PHE 6 HB1 PHE 6 -8.956 2.135 -2.982
38 HD1 PHE 6 HD1 PHE 6 -6.057 3.030 -4.889
39 HD2 PHE 6 HD2 PHE 6 -8.579 4.269 -1.692
40 HE1 PHE 6 HE1 PHE 6 -5.206 5.328 -5.113
41 HE2 PHE 6 HE2 PHE 6 -7.733 6.570 -1.912
42 HZ PHE 6 HZ PHE 6 -6.044 7.101 -3.623
43 H GLY 7 HN GLY 7 -7.666 2.638 0.131
44 HA2 GLY 7 HA2 GLY 7 -5.343 4.308 0.043
45 HA3 GLY 7 HA1 GLY 7 -6.479 4.175 1.380
46 H ARG 8 HN ARG 8 -6.269 1.443 1.885
47 HA ARG 8 HA ARG 8 -3.902 1.382 3.470
48 HB2 ARG 8 HB2 ARG 8 -6.213 -0.433 2.993
49 HB3 ARG 8 HB1 ARG 8 -4.747 -1.145 3.650
50 HG2 ARG 8 HG2 ARG 8 -6.134 -0.583 5.481
51 HG3 ARG 8 HG1 ARG 8 -4.819 0.592 5.452
52 HD2 ARG 8 HD2 ARG 8 -6.900 1.626 3.844
53 HD3 ARG 8 HD1 ARG 8 -7.637 1.040 5.334
54 HE ARG 8 HE ARG 8 -5.487 2.469 6.185
55 HH11 ARG 8 1HH1 ARG 8 -8.203 3.172 4.110
56 HH12 ARG 8 2HH1 ARG 8 -8.243 4.853 4.523
57 HH21 ARG 8 1HH2 ARG 8 -5.535 4.683 6.722
58 HH22 ARG 8 2HH2 ARG 8 -6.729 5.711 6.003
59 H LEU 9 HN LEU 9 -5.017 -0.547 0.671
60 HA LEU 9 HA LEU 9 -2.746 -2.123 0.381
61 HB2 LEU 9 HB2 LEU 9 -4.874 -1.181 -1.474
62 HB3 LEU 9 HB1 LEU 9 -3.457 -1.950 -2.165
63 HG LEU 9 HG LEU 9 -4.024 -3.788 -0.321
64 HD11 LEU 9 1HD1 LEU 9 -6.464 -2.152 -0.597
65 HD12 LEU 9 2HD1 LEU 9 -5.909 -3.153 0.745
66 HD13 LEU 9 3HD1 LEU 9 -6.680 -3.902 -0.654
67 HD21 LEU 9 1HD2 LEU 9 -3.829 -4.477 -2.531
68 HD22 LEU 9 2HD2 LEU 9 -5.119 -3.408 -3.082
69 HD23 LEU 9 3HD2 LEU 9 -5.509 -4.849 -2.143
70 H ALA 10 HN ALA 10 -3.323 1.170 -0.634
71 HA ALA 10 HA ALA 10 -1.359 1.645 -2.482
72 HB1 ALA 10 HB1 ALA 10 -2.327 3.424 -0.258
73 HB2 ALA 10 HB2 ALA 10 -2.914 3.357 -1.920
74 HB3 ALA 10 HB3 ALA 10 -1.296 3.972 -1.580
75 H ARG 11 HN ARG 11 -0.908 0.860 0.837
76 HA ARG 11 HA ARG 11 1.787 1.878 0.938
77 HB2 ARG 11 HB2 ARG 11 1.741 1.461 3.225
78 HB3 ARG 11 HB1 ARG 11 0.066 1.855 2.874
79 HG2 ARG 11 HG2 ARG 11 -0.344 -0.638 2.705
80 HG3 ARG 11 HG1 ARG 11 1.263 -0.850 3.392
81 HD2 ARG 11 HD2 ARG 11 -1.090 -0.579 4.798
82 HD3 ARG 11 HD1 ARG 11 0.534 -0.414 5.453
83 HE ARG 11 HE ARG 11 0.220 2.050 4.826
84 HH11 ARG 11 1HH1 ARG 11 -2.370 -0.046 5.899
85 HH12 ARG 11 2HH1 ARG 11 -3.313 1.255 6.539
86 HH21 ARG 11 1HH2 ARG 11 -1.027 3.747 5.671
87 HH22 ARG 11 2HH2 ARG 11 -2.556 3.402 6.410
88 H ILE 12 HN ILE 12 0.139 -1.289 0.950
89 HA ILE 12 HA ILE 12 2.395 -2.878 1.266
90 HB ILE 12 HB ILE 12 1.224 -4.673 0.144
91 HG12 ILE 12 2HG1 ILE 12 -1.249 -3.130 -0.304
92 HG13 ILE 12 1HG1 ILE 12 0.061 -2.769 -1.419
93 HG21 ILE 12 1HG2 ILE 12 -1.041 -4.278 1.538
94 HG22 ILE 12 2HG2 ILE 12 -0.015 -3.036 2.257
95 HG23 ILE 12 3HG2 ILE 12 0.496 -4.724 2.278
96 HD11 ILE 12 1HD1 ILE 12 -0.576 -4.525 -2.599
97 HD12 ILE 12 2HD1 ILE 12 -1.706 -5.027 -1.341
98 HD13 ILE 12 3HD1 ILE 12 -0.022 -5.547 -1.273
99 H LEU 13 HN LEU 13 1.231 -1.208 -1.561
100 HA LEU 13 HA LEU 13 2.927 -2.549 -3.422
101 HB2 LEU 13 HB2 LEU 13 2.607 -0.107 -4.578
102 HB3 LEU 13 HB1 LEU 13 1.495 -1.446 -4.757
103 HG LEU 13 HG LEU 13 0.984 0.307 -2.442
104 HD11 LEU 13 1HD1 LEU 13 -0.302 1.753 -4.308
105 HD12 LEU 13 2HD1 LEU 13 1.164 1.341 -5.196
106 HD13 LEU 13 3HD1 LEU 13 1.277 2.186 -3.653
107 HD21 LEU 13 1HD2 LEU 13 -1.302 -0.075 -3.086
108 HD22 LEU 13 2HD2 LEU 13 -0.439 -1.609 -3.158
109 HD23 LEU 13 3HD2 LEU 13 -0.800 -0.730 -4.643
110 H GLY 14 HN GLY 14 3.246 0.043 -1.152
111 HA2 GLY 14 HA2 GLY 14 5.933 0.690 -2.161
112 HA3 GLY 14 HA1 GLY 14 5.045 1.583 -0.931
113 H ARG 15 HN ARG 15 4.401 -1.305 0.121
114 HA ARG 15 HA ARG 15 6.769 -1.441 1.856
115 HB2 ARG 15 HB2 ARG 15 3.900 -2.213 2.173
116 HB3 ARG 15 HB1 ARG 15 5.115 -3.038 3.140
117 HG2 ARG 15 HG2 ARG 15 4.266 -1.240 4.436
118 HG3 ARG 15 HG1 ARG 15 5.894 -0.793 3.919
119 HD2 ARG 15 HD2 ARG 15 4.652 0.338 1.928
120 HD3 ARG 15 HD1 ARG 15 3.251 0.260 2.991
121 HE ARG 15 HE ARG 15 5.465 2.049 3.188
122 HH11 ARG 15 1HH1 ARG 15 3.088 0.333 5.082
123 HH12 ARG 15 2HH1 ARG 15 3.127 1.470 6.388
124 HH21 ARG 15 1HH2 ARG 15 5.516 3.544 4.900
125 HH22 ARG 15 2HH2 ARG 15 4.505 3.294 6.285
126 H VAL 16 HN VAL 16 6.669 -2.508 -0.857
127 HA VAL 16 HA VAL 16 7.018 -5.385 -0.307
128 HB VAL 16 HB VAL 16 5.271 -5.032 -1.990
129 HG11 VAL 16 1HG1 VAL 16 5.583 -3.869 -4.014
130 HG12 VAL 16 2HG1 VAL 16 7.323 -3.736 -3.761
131 HG13 VAL 16 3HG1 VAL 16 6.213 -2.809 -2.753
132 HG21 VAL 16 1HG2 VAL 16 7.648 -5.970 -3.544
133 HG22 VAL 16 2HG2 VAL 16 6.006 -6.615 -3.511
134 HG23 VAL 16 3HG2 VAL 16 7.085 -6.877 -2.140
135 H ILE 17 HN ILE 17 8.099 -2.608 -2.140
136 HA ILE 17 HA ILE 17 10.820 -3.224 -1.483
137 HB ILE 17 HB ILE 17 10.021 -2.899 -4.390
138 HG12 ILE 17 2HG1 ILE 17 9.522 -5.162 -3.496
139 HG13 ILE 17 1HG1 ILE 17 10.787 -5.182 -4.720
140 HG21 ILE 17 1HG2 ILE 17 12.080 -1.980 -4.447
141 HG22 ILE 17 2HG2 ILE 17 12.605 -3.663 -4.431
142 HG23 ILE 17 3HG2 ILE 17 12.575 -2.735 -2.932
143 HD11 ILE 17 1HD1 ILE 17 10.890 -6.348 -2.225
144 HD12 ILE 17 2HD1 ILE 17 11.868 -4.890 -2.053
145 HD13 ILE 17 3HD1 ILE 17 12.251 -6.066 -3.311
146 HA PRO 18 HA PRO 18 9.782 1.161 -1.484
147 HB2 PRO 18 HB2 PRO 18 10.445 1.302 1.276
148 HB3 PRO 18 HB1 PRO 18 8.824 1.290 0.581
149 HG2 PRO 18 HG2 PRO 18 9.906 -0.727 2.154
150 HG3 PRO 18 HG1 PRO 18 8.526 -0.925 1.060
151 HD2 PRO 18 HD2 PRO 18 11.387 -1.473 0.565
152 HD3 PRO 18 HD1 PRO 18 10.016 -2.495 0.158
153 H LYS 19 HN LYS 19 11.213 2.871 -0.352
154 HA LYS 19 HA LYS 19 13.818 2.677 -1.441
155 HB2 LYS 19 HB2 LYS 19 14.201 4.893 -0.516
156 HB3 LYS 19 HB1 LYS 19 12.619 4.820 -1.279
157 HG2 LYS 19 HG2 LYS 19 11.606 5.406 0.603
158 HG3 LYS 19 HG1 LYS 19 12.431 4.139 1.512
159 HD2 LYS 19 HD2 LYS 19 14.167 6.383 0.824
160 HD3 LYS 19 HD1 LYS 19 12.795 6.847 1.830
161 HE2 LYS 19 HE2 LYS 19 14.072 6.185 3.546
162 HE3 LYS 19 HE1 LYS 19 13.640 4.551 3.044
163 HZ1 LYS 19 HZ1 LYS 19 15.649 4.401 1.773
164 HZ2 LYS 19 HZ2 LYS 19 16.048 4.877 3.346
165 HZ3 LYS 19 HZ3 LYS 19 16.041 6.016 2.095
166 H VAL 20 HN VAL 20 12.475 2.139 1.726
167 HA VAL 20 HA VAL 20 13.357 1.297 3.647
168 HB VAL 20 HB VAL 20 15.748 0.513 1.982
169 HG11 VAL 20 1HG1 VAL 20 16.305 0.127 4.202
170 HG12 VAL 20 2HG1 VAL 20 15.661 -1.430 3.680
171 HG13 VAL 20 3HG1 VAL 20 14.660 -0.338 4.639
172 HG21 VAL 20 1HG2 VAL 20 14.218 -0.606 0.757
173 HG22 VAL 20 2HG2 VAL 20 12.987 -0.517 2.016
174 HG23 VAL 20 3HG2 VAL 20 14.259 -1.735 2.112
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -15.522 -1.522 1.305
2 H2 GLY 1 HT2 GLY 1 -14.796 -2.873 2.018
3 H3 GLY 1 HT3 GLY 1 -15.613 -3.033 0.546
4 HA2 GLY 1 HA1 GLY 1 -13.145 -1.439 0.974
5 HA3 GLY 1 HA2 GLY 1 -13.198 -3.036 0.245
6 H LEU 2 HN LEU 2 -12.255 -2.205 -1.665
7 HA LEU 2 HA LEU 2 -12.306 -1.457 -3.811
8 HB2 LEU 2 HB2 LEU 2 -15.275 -1.443 -3.272
9 HB3 LEU 2 HB1 LEU 2 -14.583 -1.059 -4.835
10 HG LEU 2 HG LEU 2 -15.393 -3.379 -4.713
11 HD11 LEU 2 1HD1 LEU 2 -13.531 -4.379 -5.765
12 HD12 LEU 2 2HD1 LEU 2 -12.392 -3.358 -4.888
13 HD13 LEU 2 3HD1 LEU 2 -13.430 -2.657 -6.129
14 HD21 LEU 2 1HD2 LEU 2 -14.697 -3.515 -2.213
15 HD22 LEU 2 2HD2 LEU 2 -13.143 -4.037 -2.861
16 HD23 LEU 2 3HD2 LEU 2 -14.603 -4.956 -3.224
17 H GLY 3 HN GLY 3 -11.156 0.404 -3.179
18 HA2 GLY 3 HA2 GLY 3 -11.023 2.716 -3.759
19 HA3 GLY 3 HA1 GLY 3 -12.745 2.863 -3.434
20 H SER 4 HN SER 4 -12.693 1.462 -0.930
21 HA SER 4 HA SER 4 -11.783 3.631 0.763
22 HB2 SER 4 HB2 SER 4 -12.917 1.075 1.848
23 HB3 SER 4 HB1 SER 4 -13.128 2.726 2.432
24 HG SER 4 HG SER 4 -14.335 1.492 0.190
25 H VAL 5 HN VAL 5 -10.974 0.355 -0.029
26 HA VAL 5 HA VAL 5 -8.966 0.022 2.011
27 HB VAL 5 HB VAL 5 -9.257 -1.571 -0.493
28 HG11 VAL 5 1HG1 VAL 5 -7.878 -1.902 2.094
29 HG12 VAL 5 2HG1 VAL 5 -7.429 -2.472 0.487
30 HG13 VAL 5 3HG1 VAL 5 -8.634 -3.350 1.428
31 HG21 VAL 5 1HG2 VAL 5 -11.229 -1.260 1.556
32 HG22 VAL 5 2HG2 VAL 5 -10.618 -2.914 1.580
33 HG23 VAL 5 3HG2 VAL 5 -11.292 -2.246 0.095
34 H PHE 6 HN PHE 6 -9.165 1.084 -1.297
35 HA PHE 6 HA PHE 6 -6.707 0.723 -2.363
36 HB2 PHE 6 HB2 PHE 6 -7.347 2.268 -3.886
37 HB3 PHE 6 HB1 PHE 6 -8.860 2.284 -2.987
38 HD1 PHE 6 HD1 PHE 6 -6.569 4.332 -4.471
39 HD2 PHE 6 HD2 PHE 6 -8.626 3.891 -0.773
40 HE1 PHE 6 HE1 PHE 6 -6.268 6.732 -4.022
41 HE2 PHE 6 HE2 PHE 6 -8.330 6.290 -0.316
42 HZ PHE 6 HZ PHE 6 -7.149 7.714 -1.942
43 H GLY 7 HN GLY 7 -7.487 2.660 0.380
44 HA2 GLY 7 HA2 GLY 7 -5.143 4.284 0.424
45 HA3 GLY 7 HA1 GLY 7 -6.209 3.969 1.785
46 H ARG 8 HN ARG 8 -5.993 1.175 1.865
47 HA ARG 8 HA ARG 8 -3.518 0.902 3.277
48 HB2 ARG 8 HB2 ARG 8 -5.860 -0.880 2.717
49 HB3 ARG 8 HB1 ARG 8 -4.365 -1.588 3.313
50 HG2 ARG 8 HG2 ARG 8 -5.379 -1.217 5.298
51 HG3 ARG 8 HG1 ARG 8 -4.612 0.360 5.103
52 HD2 ARG 8 HD2 ARG 8 -6.850 0.921 3.841
53 HD3 ARG 8 HD1 ARG 8 -7.474 -0.419 4.803
54 HE ARG 8 HE ARG 8 -6.027 1.533 6.337
55 HH11 ARG 8 1HH1 ARG 8 -9.136 0.677 5.000
56 HH12 ARG 8 2HH1 ARG 8 -10.028 1.612 6.152
57 HH21 ARG 8 1HH2 ARG 8 -7.200 2.751 7.861
58 HH22 ARG 8 2HH2 ARG 8 -8.929 2.789 7.778
59 H LEU 9 HN LEU 9 -4.895 -0.492 0.306
60 HA LEU 9 HA LEU 9 -2.826 -2.180 -0.413
61 HB2 LEU 9 HB2 LEU 9 -4.757 -0.561 -2.043
62 HB3 LEU 9 HB1 LEU 9 -3.551 -1.569 -2.819
63 HG LEU 9 HG LEU 9 -5.049 -3.018 -0.781
64 HD11 LEU 9 1HD1 LEU 9 -6.604 -2.100 -3.186
65 HD12 LEU 9 2HD1 LEU 9 -6.771 -1.373 -1.588
66 HD13 LEU 9 3HD1 LEU 9 -7.173 -3.073 -1.830
67 HD21 LEU 9 1HD2 LEU 9 -4.106 -3.368 -3.569
68 HD22 LEU 9 2HD2 LEU 9 -5.462 -4.362 -3.036
69 HD23 LEU 9 3HD2 LEU 9 -3.927 -4.426 -2.169
70 H ALA 10 HN ALA 10 -3.261 1.153 -1.593
71 HA ALA 10 HA ALA 10 -0.971 1.530 -3.015
72 HB1 ALA 10 HB1 ALA 10 -2.301 3.517 -1.184
73 HB2 ALA 10 HB2 ALA 10 -2.692 3.214 -2.877
74 HB3 ALA 10 HB3 ALA 10 -1.135 3.919 -2.444
75 H ARG 11 HN ARG 11 -1.213 1.172 0.410
76 HA ARG 11 HA ARG 11 1.437 2.207 0.909
77 HB2 ARG 11 HB2 ARG 11 -0.107 2.750 2.604
78 HB3 ARG 11 HB1 ARG 11 -0.774 1.127 2.639
79 HG2 ARG 11 HG2 ARG 11 2.000 1.009 3.315
80 HG3 ARG 11 HG1 ARG 11 1.209 2.240 4.300
81 HD2 ARG 11 HD2 ARG 11 0.604 0.528 5.613
82 HD3 ARG 11 HD1 ARG 11 -0.609 0.204 4.375
83 HE ARG 11 HE ARG 11 1.496 -1.174 3.461
84 HH11 ARG 11 1HH1 ARG 11 0.007 -1.047 6.615
85 HH12 ARG 11 2HH1 ARG 11 0.448 -2.671 7.024
86 HH21 ARG 11 1HH2 ARG 11 2.074 -3.308 3.998
87 HH22 ARG 11 2HH2 ARG 11 1.622 -3.954 5.540
88 H ILE 12 HN ILE 12 -0.269 -0.938 1.139
89 HA ILE 12 HA ILE 12 1.959 -2.399 1.999
90 HB ILE 12 HB ILE 12 0.886 -4.405 1.287
91 HG12 ILE 12 2HG1 ILE 12 -1.572 -3.539 0.177
92 HG13 ILE 12 1HG1 ILE 12 -0.294 -2.739 -0.724
93 HG21 ILE 12 1HG2 ILE 12 -1.513 -2.911 2.121
94 HG22 ILE 12 2HG2 ILE 12 -0.086 -2.718 3.136
95 HG23 ILE 12 3HG2 ILE 12 -0.747 -4.326 2.842
96 HD11 ILE 12 1HD1 ILE 12 0.125 -4.592 -1.845
97 HD12 ILE 12 2HD1 ILE 12 -1.240 -5.352 -1.027
98 HD13 ILE 12 3HD1 ILE 12 0.382 -5.487 -0.347
99 H LEU 13 HN LEU 13 0.963 -1.487 -1.252
100 HA LEU 13 HA LEU 13 2.819 -3.128 -2.615
101 HB2 LEU 13 HB2 LEU 13 2.681 -1.086 -4.332
102 HB3 LEU 13 HB1 LEU 13 1.432 -2.305 -4.204
103 HG LEU 13 HG LEU 13 0.922 -0.122 -2.377
104 HD11 LEU 13 1HD1 LEU 13 0.608 0.802 -5.166
105 HD12 LEU 13 2HD1 LEU 13 2.237 0.859 -4.492
106 HD13 LEU 13 3HD1 LEU 13 0.921 1.719 -3.693
107 HD21 LEU 13 1HD2 LEU 13 -1.245 -0.163 -3.518
108 HD22 LEU 13 2HD2 LEU 13 -0.717 -1.794 -3.116
109 HD23 LEU 13 3HD2 LEU 13 -0.573 -1.203 -4.771
110 H GLY 14 HN GLY 14 2.997 -0.006 -1.053
111 HA2 GLY 14 HA2 GLY 14 5.639 0.617 -1.990
112 HA3 GLY 14 HA1 GLY 14 4.806 1.377 -0.636
113 H ARG 15 HN ARG 15 4.402 -1.609 0.226
114 HA ARG 15 HA ARG 15 6.874 -1.747 1.804
115 HB2 ARG 15 HB2 ARG 15 4.086 -2.765 2.201
116 HB3 ARG 15 HB1 ARG 15 5.420 -3.549 3.036
117 HG2 ARG 15 HG2 ARG 15 4.523 -1.952 4.526
118 HG3 ARG 15 HG1 ARG 15 6.049 -1.290 3.936
119 HD2 ARG 15 HD2 ARG 15 4.627 -0.097 2.171
120 HD3 ARG 15 HD1 ARG 15 3.249 -0.508 3.186
121 HE ARG 15 HE ARG 15 5.139 1.564 3.638
122 HH11 ARG 15 1HH1 ARG 15 3.161 -0.779 5.301
123 HH12 ARG 15 2HH1 ARG 15 3.043 0.162 6.749
124 HH21 ARG 15 1HH2 ARG 15 4.989 2.803 5.541
125 HH22 ARG 15 2HH2 ARG 15 4.081 2.196 6.886
126 H VAL 16 HN VAL 16 6.680 -2.572 -0.988
127 HA VAL 16 HA VAL 16 7.209 -5.460 -0.720
128 HB VAL 16 HB VAL 16 5.322 -4.630 -2.344
129 HG11 VAL 16 1HG1 VAL 16 6.097 -4.179 -4.624
130 HG12 VAL 16 2HG1 VAL 16 7.762 -4.134 -4.047
131 HG13 VAL 16 3HG1 VAL 16 6.608 -2.919 -3.504
132 HG21 VAL 16 1HG2 VAL 16 7.398 -6.517 -3.431
133 HG22 VAL 16 2HG2 VAL 16 5.661 -6.529 -3.734
134 HG23 VAL 16 3HG2 VAL 16 6.280 -6.933 -2.133
135 H ILE 17 HN ILE 17 8.057 -2.474 -2.325
136 HA ILE 17 HA ILE 17 10.835 -3.008 -1.856
137 HB ILE 17 HB ILE 17 9.851 -2.516 -4.682
138 HG12 ILE 17 2HG1 ILE 17 9.610 -4.866 -3.948
139 HG13 ILE 17 1HG1 ILE 17 10.819 -4.690 -5.216
140 HG21 ILE 17 1HG2 ILE 17 11.811 -1.390 -4.770
141 HG22 ILE 17 2HG2 ILE 17 12.474 -3.013 -4.960
142 HG23 ILE 17 3HG2 ILE 17 12.485 -2.236 -3.377
143 HD11 ILE 17 1HD1 ILE 17 11.127 -5.996 -2.804
144 HD12 ILE 17 2HD1 ILE 17 11.991 -4.474 -2.585
145 HD13 ILE 17 3HD1 ILE 17 12.408 -5.539 -3.927
146 HA PRO 18 HA PRO 18 9.598 1.298 -1.409
147 HB2 PRO 18 HB2 PRO 18 10.335 1.216 1.333
148 HB3 PRO 18 HB1 PRO 18 8.696 1.181 0.682
149 HG2 PRO 18 HG2 PRO 18 9.930 -0.913 2.029
150 HG3 PRO 18 HG1 PRO 18 8.524 -1.079 0.962
151 HD2 PRO 18 HD2 PRO 18 11.390 -1.433 0.332
152 HD3 PRO 18 HD1 PRO 18 10.055 -2.480 -0.128
153 H LYS 19 HN LYS 19 10.995 2.958 -0.158
154 HA LYS 19 HA LYS 19 13.564 2.980 -1.340
155 HB2 LYS 19 HB2 LYS 19 13.870 5.127 -0.300
156 HB3 LYS 19 HB1 LYS 19 12.221 5.025 -0.896
157 HG2 LYS 19 HG2 LYS 19 11.428 5.486 1.115
158 HG3 LYS 19 HG1 LYS 19 12.276 4.099 1.800
159 HD2 LYS 19 HD2 LYS 19 14.188 6.148 1.327
160 HD3 LYS 19 HD1 LYS 19 12.812 6.874 2.157
161 HE2 LYS 19 HE2 LYS 19 13.481 5.988 4.079
162 HE3 LYS 19 HE1 LYS 19 13.394 4.370 3.386
163 HZ1 LYS 19 HZ1 LYS 19 15.726 6.200 3.202
164 HZ2 LYS 19 HZ2 LYS 19 15.644 4.639 2.556
165 HZ3 LYS 19 HZ3 LYS 19 15.604 4.863 4.232
166 H VAL 20 HN VAL 20 12.358 2.067 1.793
167 HA VAL 20 HA VAL 20 13.340 1.092 3.599
168 HB VAL 20 HB VAL 20 15.697 0.569 1.787
169 HG11 VAL 20 1HG1 VAL 20 16.426 -0.066 3.862
170 HG12 VAL 20 2HG1 VAL 20 15.639 -1.555 3.340
171 HG13 VAL 20 3HG1 VAL 20 14.804 -0.454 4.436
172 HG21 VAL 20 1HG2 VAL 20 14.175 -0.512 0.522
173 HG22 VAL 20 2HG2 VAL 20 12.984 -0.574 1.822
174 HG23 VAL 20 3HG2 VAL 20 14.301 -1.746 1.777
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -15.419 -1.923 2.196
2 H2 GLY 1 HT2 GLY 1 -14.638 -3.328 2.722
3 H3 GLY 1 HT3 GLY 1 -15.646 -3.379 1.364
4 HA2 GLY 1 HA1 GLY 1 -13.427 -1.497 1.261
5 HA3 GLY 1 HA2 GLY 1 -13.010 -3.203 1.191
6 H LEU 2 HN LEU 2 -13.212 -0.764 -0.751
7 HA LEU 2 HA LEU 2 -13.359 -2.060 -3.141
8 HB2 LEU 2 HB2 LEU 2 -15.955 -1.994 -2.025
9 HB3 LEU 2 HB1 LEU 2 -15.950 -0.801 -3.306
10 HG LEU 2 HG LEU 2 -16.730 -2.973 -4.109
11 HD11 LEU 2 1HD1 LEU 2 -14.052 -2.652 -5.370
12 HD12 LEU 2 2HD1 LEU 2 -15.199 -1.314 -5.442
13 HD13 LEU 2 3HD1 LEU 2 -15.633 -2.884 -6.116
14 HD21 LEU 2 1HD2 LEU 2 -14.089 -3.891 -3.036
15 HD22 LEU 2 2HD2 LEU 2 -14.876 -4.751 -4.360
16 HD23 LEU 2 3HD2 LEU 2 -15.692 -4.589 -2.805
17 H GLY 3 HN GLY 3 -11.717 -0.367 -3.070
18 HA2 GLY 3 HA2 GLY 3 -11.105 1.542 -4.343
19 HA3 GLY 3 HA1 GLY 3 -12.762 2.121 -4.220
20 H SER 4 HN SER 4 -12.844 1.524 -1.327
21 HA SER 4 HA SER 4 -11.696 4.015 -0.400
22 HB2 SER 4 HB2 SER 4 -12.945 2.131 1.530
23 HB3 SER 4 HB1 SER 4 -13.163 3.872 1.355
24 HG SER 4 HG SER 4 -14.328 3.280 -0.653
25 H VAL 5 HN VAL 5 -11.141 0.614 -0.226
26 HA VAL 5 HA VAL 5 -9.245 0.608 1.909
27 HB VAL 5 HB VAL 5 -9.393 -1.354 -0.333
28 HG11 VAL 5 1HG1 VAL 5 -7.553 -1.408 1.434
29 HG12 VAL 5 2HG1 VAL 5 -8.435 -2.908 1.148
30 HG13 VAL 5 3HG1 VAL 5 -8.813 -1.918 2.558
31 HG21 VAL 5 1HG2 VAL 5 -11.384 -0.814 1.755
32 HG22 VAL 5 2HG2 VAL 5 -10.932 -2.510 1.580
33 HG23 VAL 5 3HG2 VAL 5 -11.566 -1.618 0.196
34 H PHE 6 HN PHE 6 -9.212 1.309 -1.456
35 HA PHE 6 HA PHE 6 -6.735 0.749 -2.386
36 HB2 PHE 6 HB2 PHE 6 -7.261 2.193 -4.045
37 HB3 PHE 6 HB1 PHE 6 -8.796 2.350 -3.195
38 HD1 PHE 6 HD1 PHE 6 -5.916 4.052 -4.404
39 HD2 PHE 6 HD2 PHE 6 -8.989 4.231 -1.466
40 HE1 PHE 6 HE1 PHE 6 -5.503 6.461 -4.124
41 HE2 PHE 6 HE2 PHE 6 -8.585 6.641 -1.183
42 HZ PHE 6 HZ PHE 6 -6.839 7.759 -2.512
43 H GLY 7 HN GLY 7 -7.537 2.922 0.166
44 HA2 GLY 7 HA2 GLY 7 -5.092 4.415 0.187
45 HA3 GLY 7 HA1 GLY 7 -6.264 4.320 1.496
46 H ARG 8 HN ARG 8 -6.261 1.554 1.892
47 HA ARG 8 HA ARG 8 -3.982 1.256 3.560
48 HB2 ARG 8 HB2 ARG 8 -5.513 -1.169 2.792
49 HB3 ARG 8 HB1 ARG 8 -4.994 -0.627 4.379
50 HG2 ARG 8 HG2 ARG 8 -7.375 0.331 2.808
51 HG3 ARG 8 HG1 ARG 8 -7.372 -0.586 4.314
52 HD2 ARG 8 HD2 ARG 8 -6.019 2.074 4.213
53 HD3 ARG 8 HD1 ARG 8 -7.776 1.997 4.335
54 HE ARG 8 HE ARG 8 -6.352 0.377 6.250
55 HH11 ARG 8 1HH1 ARG 8 -7.768 3.496 5.588
56 HH12 ARG 8 2HH1 ARG 8 -7.978 3.894 7.260
57 HH21 ARG 8 1HH2 ARG 8 -6.627 0.899 8.449
58 HH22 ARG 8 2HH2 ARG 8 -7.330 2.421 8.884
59 H LEU 9 HN LEU 9 -5.026 -0.458 0.609
60 HA LEU 9 HA LEU 9 -2.765 -2.053 0.291
61 HB2 LEU 9 HB2 LEU 9 -4.740 -0.917 -1.665
62 HB3 LEU 9 HB1 LEU 9 -3.403 -1.913 -2.207
63 HG LEU 9 HG LEU 9 -4.359 -3.569 -0.362
64 HD11 LEU 9 1HD1 LEU 9 -6.512 -1.605 -0.835
65 HD12 LEU 9 2HD1 LEU 9 -6.185 -2.620 0.570
66 HD13 LEU 9 3HD1 LEU 9 -6.979 -3.306 -0.848
67 HD21 LEU 9 1HD2 LEU 9 -4.242 -3.570 -3.040
68 HD22 LEU 9 2HD2 LEU 9 -5.992 -3.551 -2.822
69 HD23 LEU 9 3HD2 LEU 9 -5.029 -4.842 -2.105
70 H ALA 10 HN ALA 10 -3.294 1.301 -0.495
71 HA ALA 10 HA ALA 10 -1.333 1.901 -2.303
72 HB1 ALA 10 HB1 ALA 10 -2.070 3.561 0.100
73 HB2 ALA 10 HB2 ALA 10 -2.951 3.517 -1.427
74 HB3 ALA 10 HB3 ALA 10 -1.303 4.142 -1.378
75 H ARG 11 HN ARG 11 -0.868 0.821 0.933
76 HA ARG 11 HA ARG 11 1.846 1.781 1.089
77 HB2 ARG 11 HB2 ARG 11 1.855 1.032 3.330
78 HB3 ARG 11 HB1 ARG 11 0.258 1.714 3.064
79 HG2 ARG 11 HG2 ARG 11 -0.329 -0.799 2.496
80 HG3 ARG 11 HG1 ARG 11 1.071 -1.102 3.524
81 HD2 ARG 11 HD2 ARG 11 -1.393 0.475 4.255
82 HD3 ARG 11 HD1 ARG 11 -0.962 -1.130 4.843
83 HE ARG 11 HE ARG 11 1.025 0.875 5.385
84 HH11 ARG 11 1HH1 ARG 11 -1.908 -0.632 6.530
85 HH12 ARG 11 2HH1 ARG 11 -1.626 -0.210 8.185
86 HH21 ARG 11 1HH2 ARG 11 1.397 1.429 7.562
87 HH22 ARG 11 2HH2 ARG 11 0.250 0.960 8.771
88 H ILE 12 HN ILE 12 0.145 -1.345 0.787
89 HA ILE 12 HA ILE 12 2.367 -3.000 0.992
90 HB ILE 12 HB ILE 12 1.189 -4.636 -0.386
91 HG12 ILE 12 2HG1 ILE 12 -1.229 -2.920 -0.571
92 HG13 ILE 12 1HG1 ILE 12 0.064 -2.600 -1.720
93 HG21 ILE 12 1HG2 ILE 12 -1.043 -4.436 1.085
94 HG22 ILE 12 2HG2 ILE 12 -0.016 -3.290 1.946
95 HG23 ILE 12 3HG2 ILE 12 0.506 -4.962 1.743
96 HD11 ILE 12 1HD1 ILE 12 -0.668 -4.257 -2.976
97 HD12 ILE 12 2HD1 ILE 12 -1.923 -4.620 -1.790
98 HD13 ILE 12 3HD1 ILE 12 -0.342 -5.392 -1.666
99 H LEU 13 HN LEU 13 1.251 -1.075 -1.691
100 HA LEU 13 HA LEU 13 2.986 -2.212 -3.643
101 HB2 LEU 13 HB2 LEU 13 2.681 0.334 -4.546
102 HB3 LEU 13 HB1 LEU 13 1.559 -0.972 -4.865
103 HG LEU 13 HG LEU 13 1.063 0.549 -2.384
104 HD11 LEU 13 1HD1 LEU 13 0.257 1.811 -4.976
105 HD12 LEU 13 2HD1 LEU 13 1.796 2.214 -4.215
106 HD13 LEU 13 3HD1 LEU 13 0.284 2.507 -3.356
107 HD21 LEU 13 1HD2 LEU 13 -1.218 0.203 -3.009
108 HD22 LEU 13 2HD2 LEU 13 -0.354 -1.303 -3.310
109 HD23 LEU 13 3HD2 LEU 13 -0.760 -0.236 -4.653
110 H GLY 14 HN GLY 14 3.272 0.115 -1.102
111 HA2 GLY 14 HA2 GLY 14 5.962 0.888 -1.993
112 HA3 GLY 14 HA1 GLY 14 5.054 1.623 -0.677
113 H ARG 15 HN ARG 15 4.431 -1.370 0.038
114 HA ARG 15 HA ARG 15 6.793 -1.687 1.761
115 HB2 ARG 15 HB2 ARG 15 3.933 -2.543 1.967
116 HB3 ARG 15 HB1 ARG 15 5.162 -3.450 2.837
117 HG2 ARG 15 HG2 ARG 15 4.364 -1.893 4.379
118 HG3 ARG 15 HG1 ARG 15 5.890 -1.211 3.810
119 HD2 ARG 15 HD2 ARG 15 4.599 0.167 2.192
120 HD3 ARG 15 HD1 ARG 15 3.114 -0.442 2.922
121 HE ARG 15 HE ARG 15 4.433 0.569 5.040
122 HH11 ARG 15 1HH1 ARG 15 3.658 1.888 1.902
123 HH12 ARG 15 2HH1 ARG 15 3.588 3.523 2.469
124 HH21 ARG 15 1HH2 ARG 15 4.341 2.719 5.786
125 HH22 ARG 15 2HH2 ARG 15 3.977 3.995 4.673
126 H VAL 16 HN VAL 16 6.710 -2.436 -1.064
127 HA VAL 16 HA VAL 16 7.079 -5.355 -0.846
128 HB VAL 16 HB VAL 16 5.330 -4.826 -2.477
129 HG11 VAL 16 1HG1 VAL 16 5.618 -3.425 -4.342
130 HG12 VAL 16 2HG1 VAL 16 7.362 -3.326 -4.101
131 HG13 VAL 16 3HG1 VAL 16 6.270 -2.521 -2.977
132 HG21 VAL 16 1HG2 VAL 16 7.942 -5.857 -3.525
133 HG22 VAL 16 2HG2 VAL 16 6.508 -5.791 -4.549
134 HG23 VAL 16 3HG2 VAL 16 6.494 -6.755 -3.072
135 H ILE 17 HN ILE 17 8.142 -2.385 -2.358
136 HA ILE 17 HA ILE 17 10.873 -3.076 -1.802
137 HB ILE 17 HB ILE 17 10.021 -2.421 -4.637
138 HG12 ILE 17 2HG1 ILE 17 9.540 -4.768 -4.000
139 HG13 ILE 17 1HG1 ILE 17 10.783 -4.648 -5.241
140 HG21 ILE 17 1HG2 ILE 17 12.075 -1.495 -4.643
141 HG22 ILE 17 2HG2 ILE 17 12.603 -3.167 -4.824
142 HG23 ILE 17 3HG2 ILE 17 12.609 -2.408 -3.232
143 HD11 ILE 17 1HD1 ILE 17 10.943 -6.128 -2.950
144 HD12 ILE 17 2HD1 ILE 17 11.862 -4.680 -2.538
145 HD13 ILE 17 3HD1 ILE 17 12.306 -5.634 -3.953
146 HA PRO 18 HA PRO 18 9.841 1.279 -1.287
147 HB2 PRO 18 HB2 PRO 18 10.478 1.091 1.475
148 HB3 PRO 18 HB1 PRO 18 8.864 1.166 0.769
149 HG2 PRO 18 HG2 PRO 18 9.925 -1.026 2.103
150 HG3 PRO 18 HG1 PRO 18 8.555 -1.089 0.981
151 HD2 PRO 18 HD2 PRO 18 11.421 -1.584 0.449
152 HD3 PRO 18 HD1 PRO 18 10.050 -2.547 -0.086
153 H LYS 19 HN LYS 19 11.273 2.830 0.056
154 HA LYS 19 HA LYS 19 13.881 2.763 -1.034
155 HB2 LYS 19 HB2 LYS 19 14.262 4.844 0.147
156 HB3 LYS 19 HB1 LYS 19 12.664 4.865 -0.586
157 HG2 LYS 19 HG2 LYS 19 11.682 5.186 1.374
158 HG3 LYS 19 HG1 LYS 19 12.549 3.833 2.103
159 HD2 LYS 19 HD2 LYS 19 14.279 6.121 1.668
160 HD3 LYS 19 HD1 LYS 19 12.890 6.529 2.678
161 HE2 LYS 19 HE2 LYS 19 14.148 5.723 4.352
162 HE3 LYS 19 HE1 LYS 19 13.643 4.147 3.745
163 HZ1 LYS 19 HZ1 LYS 19 15.657 4.016 2.447
164 HZ2 LYS 19 HZ2 LYS 19 16.048 4.292 4.070
165 HZ3 LYS 19 HZ3 LYS 19 16.133 5.559 2.953
166 H VAL 20 HN VAL 20 12.523 1.753 1.999
167 HA VAL 20 HA VAL 20 13.398 0.681 3.805
168 HB VAL 20 HB VAL 20 15.843 0.161 2.115
169 HG11 VAL 20 1HG1 VAL 20 16.452 -1.364 3.656
170 HG12 VAL 20 2HG1 VAL 20 14.791 -1.867 3.969
171 HG13 VAL 20 3HG1 VAL 20 15.428 -0.407 4.726
172 HG21 VAL 20 1HG2 VAL 20 14.389 -0.784 0.674
173 HG22 VAL 20 2HG2 VAL 20 13.096 -0.872 1.871
174 HG23 VAL 20 3HG2 VAL 20 14.370 -2.091 1.859
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -15.184 -1.912 2.665
2 H2 GLY 1 HT2 GLY 1 -15.287 -3.492 2.070
3 H3 GLY 1 HT3 GLY 1 -16.066 -2.230 1.257
4 HA2 GLY 1 HA1 GLY 1 -13.605 -1.279 1.206
5 HA3 GLY 1 HA2 GLY 1 -13.254 -3.001 1.247
6 H LEU 2 HN LEU 2 -13.224 -0.672 -0.832
7 HA LEU 2 HA LEU 2 -13.288 -2.079 -3.158
8 HB2 LEU 2 HB2 LEU 2 -15.944 -1.873 -2.205
9 HB3 LEU 2 HB1 LEU 2 -15.822 -0.756 -3.546
10 HG LEU 2 HG LEU 2 -16.630 -2.949 -4.268
11 HD11 LEU 2 1HD1 LEU 2 -13.912 -2.864 -5.433
12 HD12 LEU 2 2HD1 LEU 2 -14.889 -1.401 -5.556
13 HD13 LEU 2 3HD1 LEU 2 -15.487 -2.920 -6.224
14 HD21 LEU 2 1HD2 LEU 2 -14.096 -3.874 -2.977
15 HD22 LEU 2 2HD2 LEU 2 -14.791 -4.777 -4.323
16 HD23 LEU 2 3HD2 LEU 2 -15.726 -4.534 -2.847
17 H GLY 3 HN GLY 3 -11.601 -0.404 -3.011
18 HA2 GLY 3 HA2 GLY 3 -10.856 1.418 -4.354
19 HA3 GLY 3 HA1 GLY 3 -12.503 2.039 -4.368
20 H SER 4 HN SER 4 -12.786 1.574 -1.466
21 HA SER 4 HA SER 4 -11.642 4.080 -0.571
22 HB2 SER 4 HB2 SER 4 -13.086 2.287 1.321
23 HB3 SER 4 HB1 SER 4 -13.205 4.034 1.114
24 HG SER 4 HG SER 4 -14.259 3.467 -0.966
25 H VAL 5 HN VAL 5 -11.162 0.685 -0.253
26 HA VAL 5 HA VAL 5 -9.428 0.711 2.020
27 HB VAL 5 HB VAL 5 -9.444 -1.326 -0.158
28 HG11 VAL 5 1HG1 VAL 5 -7.907 -1.183 2.047
29 HG12 VAL 5 2HG1 VAL 5 -8.375 -2.703 1.285
30 HG13 VAL 5 3HG1 VAL 5 -9.270 -2.105 2.682
31 HG21 VAL 5 1HG2 VAL 5 -11.604 -0.655 1.703
32 HG22 VAL 5 2HG2 VAL 5 -11.168 -2.363 1.684
33 HG23 VAL 5 3HG2 VAL 5 -11.653 -1.560 0.191
34 H PHE 6 HN PHE 6 -9.148 1.344 -1.335
35 HA PHE 6 HA PHE 6 -6.645 0.687 -2.109
36 HB2 PHE 6 HB2 PHE 6 -6.967 2.179 -3.789
37 HB3 PHE 6 HB1 PHE 6 -8.575 2.317 -3.085
38 HD1 PHE 6 HD1 PHE 6 -5.613 4.056 -4.003
39 HD2 PHE 6 HD2 PHE 6 -8.932 4.165 -1.343
40 HE1 PHE 6 HE1 PHE 6 -5.243 6.462 -3.647
41 HE2 PHE 6 HE2 PHE 6 -8.571 6.571 -0.984
42 HZ PHE 6 HZ PHE 6 -6.724 7.723 -2.135
43 H GLY 7 HN GLY 7 -7.502 2.910 0.385
44 HA2 GLY 7 HA2 GLY 7 -5.107 4.405 0.556
45 HA3 GLY 7 HA1 GLY 7 -6.242 4.136 1.874
46 H ARG 8 HN ARG 8 -6.099 1.335 1.978
47 HA ARG 8 HA ARG 8 -3.705 1.005 3.510
48 HB2 ARG 8 HB2 ARG 8 -6.167 -0.529 2.996
49 HB3 ARG 8 HB1 ARG 8 -4.739 -1.512 3.286
50 HG2 ARG 8 HG2 ARG 8 -5.334 -1.293 5.435
51 HG3 ARG 8 HG1 ARG 8 -4.520 0.267 5.301
52 HD2 ARG 8 HD2 ARG 8 -7.100 0.721 4.354
53 HD3 ARG 8 HD1 ARG 8 -7.314 -0.327 5.755
54 HE ARG 8 HE ARG 8 -5.528 1.726 6.429
55 HH11 ARG 8 1HH1 ARG 8 -8.900 1.288 5.648
56 HH12 ARG 8 2HH1 ARG 8 -9.425 2.639 6.597
57 HH21 ARG 8 1HH2 ARG 8 -6.215 3.504 7.677
58 HH22 ARG 8 2HH2 ARG 8 -7.900 3.898 7.748
59 H LEU 9 HN LEU 9 -4.999 -0.604 0.591
60 HA LEU 9 HA LEU 9 -2.814 -2.196 -0.006
61 HB2 LEU 9 HB2 LEU 9 -4.815 -0.820 -1.780
62 HB3 LEU 9 HB1 LEU 9 -3.567 -1.861 -2.437
63 HG LEU 9 HG LEU 9 -4.643 -3.484 -0.531
64 HD11 LEU 9 1HD1 LEU 9 -6.425 -1.447 -0.522
65 HD12 LEU 9 2HD1 LEU 9 -6.820 -3.119 -0.124
66 HD13 LEU 9 3HD1 LEU 9 -7.128 -2.502 -1.747
67 HD21 LEU 9 1HD2 LEU 9 -4.970 -3.137 -3.450
68 HD22 LEU 9 2HD2 LEU 9 -6.113 -4.211 -2.643
69 HD23 LEU 9 3HD2 LEU 9 -4.381 -4.521 -2.528
70 H ALA 10 HN ALA 10 -3.324 1.211 -0.655
71 HA ALA 10 HA ALA 10 -1.341 1.806 -2.457
72 HB1 ALA 10 HB1 ALA 10 -2.473 3.363 -0.163
73 HB2 ALA 10 HB2 ALA 10 -2.782 3.543 -1.890
74 HB3 ALA 10 HB3 ALA 10 -1.232 4.044 -1.215
75 H ARG 11 HN ARG 11 -0.938 0.768 0.801
76 HA ARG 11 HA ARG 11 1.758 1.766 1.001
77 HB2 ARG 11 HB2 ARG 11 1.703 1.185 3.249
78 HB3 ARG 11 HB1 ARG 11 0.039 1.637 2.921
79 HG2 ARG 11 HG2 ARG 11 -0.270 -0.920 2.496
80 HG3 ARG 11 HG1 ARG 11 1.203 -1.053 3.456
81 HD2 ARG 11 HD2 ARG 11 -1.322 0.358 4.312
82 HD3 ARG 11 HD1 ARG 11 -0.830 -1.255 4.825
83 HE ARG 11 HE ARG 11 1.098 0.830 5.352
84 HH11 ARG 11 1HH1 ARG 11 -1.626 -0.975 6.584
85 HH12 ARG 11 2HH1 ARG 11 -1.254 -0.643 8.241
86 HH21 ARG 11 1HH2 ARG 11 1.585 1.267 7.530
87 HH22 ARG 11 2HH2 ARG 11 0.568 0.630 8.779
88 H ILE 12 HN ILE 12 0.113 -1.388 0.699
89 HA ILE 12 HA ILE 12 2.356 -3.000 0.991
90 HB ILE 12 HB ILE 12 1.244 -4.684 -0.366
91 HG12 ILE 12 2HG1 ILE 12 -1.214 -3.088 -0.727
92 HG13 ILE 12 1HG1 ILE 12 0.129 -2.641 -1.769
93 HG21 ILE 12 1HG2 ILE 12 -0.950 -3.543 1.284
94 HG22 ILE 12 2HG2 ILE 12 0.581 -3.933 2.070
95 HG23 ILE 12 3HG2 ILE 12 -0.321 -5.190 1.223
96 HD11 ILE 12 1HD1 ILE 12 -0.469 -4.278 -3.123
97 HD12 ILE 12 2HD1 ILE 12 -1.670 -4.855 -1.968
98 HD13 ILE 12 3HD1 ILE 12 -0.005 -5.428 -1.869
99 H LEU 13 HN LEU 13 1.291 -1.123 -1.752
100 HA LEU 13 HA LEU 13 3.101 -2.259 -3.636
101 HB2 LEU 13 HB2 LEU 13 2.807 0.278 -4.569
102 HB3 LEU 13 HB1 LEU 13 1.712 -1.041 -4.922
103 HG LEU 13 HG LEU 13 1.100 0.489 -2.475
104 HD11 LEU 13 1HD1 LEU 13 -0.131 2.089 -4.254
105 HD12 LEU 13 2HD1 LEU 13 1.371 1.764 -5.119
106 HD13 LEU 13 3HD1 LEU 13 1.419 2.471 -3.504
107 HD21 LEU 13 1HD2 LEU 13 -1.159 0.156 -3.238
108 HD22 LEU 13 2HD2 LEU 13 -0.280 -1.362 -3.402
109 HD23 LEU 13 3HD2 LEU 13 -0.590 -0.366 -4.823
110 H GLY 14 HN GLY 14 3.270 0.109 -1.121
111 HA2 GLY 14 HA2 GLY 14 5.985 0.890 -1.923
112 HA3 GLY 14 HA1 GLY 14 5.025 1.634 -0.651
113 H ARG 15 HN ARG 15 4.382 -1.322 0.133
114 HA ARG 15 HA ARG 15 6.721 -1.611 1.894
115 HB2 ARG 15 HB2 ARG 15 3.853 -2.453 2.094
116 HB3 ARG 15 HB1 ARG 15 5.075 -3.311 3.021
117 HG2 ARG 15 HG2 ARG 15 4.292 -1.703 4.497
118 HG3 ARG 15 HG1 ARG 15 5.778 -0.992 3.863
119 HD2 ARG 15 HD2 ARG 15 4.454 0.307 2.254
120 HD3 ARG 15 HD1 ARG 15 2.978 -0.391 2.916
121 HE ARG 15 HE ARG 15 3.093 1.115 4.625
122 HH11 ARG 15 1HH1 ARG 15 6.257 0.862 3.175
123 HH12 ARG 15 2HH1 ARG 15 6.933 2.139 4.129
124 HH21 ARG 15 1HH2 ARG 15 3.980 2.793 5.881
125 HH22 ARG 15 2HH2 ARG 15 5.641 3.234 5.667
126 H VAL 16 HN VAL 16 6.653 -2.439 -0.910
127 HA VAL 16 HA VAL 16 6.997 -5.352 -0.596
128 HB VAL 16 HB VAL 16 5.259 -4.868 -2.251
129 HG11 VAL 16 1HG1 VAL 16 5.559 -3.533 -4.157
130 HG12 VAL 16 2HG1 VAL 16 7.304 -3.440 -3.919
131 HG13 VAL 16 3HG1 VAL 16 6.219 -2.588 -2.823
132 HG21 VAL 16 1HG2 VAL 16 7.113 -6.676 -2.550
133 HG22 VAL 16 2HG2 VAL 16 7.618 -5.661 -3.901
134 HG23 VAL 16 3HG2 VAL 16 5.990 -6.339 -3.867
135 H ILE 17 HN ILE 17 8.087 -2.451 -2.224
136 HA ILE 17 HA ILE 17 10.810 -3.111 -1.609
137 HB ILE 17 HB ILE 17 9.995 -2.610 -4.485
138 HG12 ILE 17 2HG1 ILE 17 9.511 -4.923 -3.734
139 HG13 ILE 17 1HG1 ILE 17 10.777 -4.866 -4.955
140 HG21 ILE 17 1HG2 ILE 17 12.047 -1.687 -4.523
141 HG22 ILE 17 2HG2 ILE 17 12.587 -3.366 -4.580
142 HG23 ILE 17 3HG2 ILE 17 12.556 -2.501 -3.043
143 HD11 ILE 17 1HD1 ILE 17 10.885 -6.192 -2.550
144 HD12 ILE 17 2HD1 ILE 17 11.840 -4.738 -2.261
145 HD13 ILE 17 3HD1 ILE 17 12.254 -5.814 -3.596
146 HA PRO 18 HA PRO 18 9.788 1.268 -1.346
147 HB2 PRO 18 HB2 PRO 18 10.446 1.255 1.415
148 HB3 PRO 18 HB1 PRO 18 8.825 1.270 0.721
149 HG2 PRO 18 HG2 PRO 18 9.935 -0.825 2.178
150 HG3 PRO 18 HG1 PRO 18 8.540 -0.965 1.096
151 HD2 PRO 18 HD2 PRO 18 11.391 -1.493 0.537
152 HD3 PRO 18 HD1 PRO 18 10.008 -2.478 0.079
153 H LYS 19 HN LYS 19 11.233 2.903 -0.120
154 HA LYS 19 HA LYS 19 13.814 2.803 -1.243
155 HB2 LYS 19 HB2 LYS 19 14.230 4.909 -0.086
156 HB3 LYS 19 HB1 LYS 19 12.642 4.921 -0.841
157 HG2 LYS 19 HG2 LYS 19 11.635 5.290 1.099
158 HG3 LYS 19 HG1 LYS 19 12.489 3.952 1.871
159 HD2 LYS 19 HD2 LYS 19 14.191 6.272 1.383
160 HD3 LYS 19 HD1 LYS 19 12.822 6.628 2.438
161 HE2 LYS 19 HE2 LYS 19 14.133 5.832 4.072
162 HE3 LYS 19 HE1 LYS 19 13.687 4.247 3.442
163 HZ1 LYS 19 HZ1 LYS 19 15.678 4.203 2.131
164 HZ2 LYS 19 HZ2 LYS 19 16.099 4.535 3.735
165 HZ3 LYS 19 HZ3 LYS 19 16.084 5.780 2.590
166 H VAL 20 HN VAL 20 12.548 1.914 1.873
167 HA VAL 20 HA VAL 20 13.474 0.858 3.663
168 HB VAL 20 HB VAL 20 15.875 0.331 1.913
169 HG11 VAL 20 1HG1 VAL 20 16.471 -0.363 4.026
170 HG12 VAL 20 2HG1 VAL 20 15.743 -1.831 3.374
171 HG13 VAL 20 3HG1 VAL 20 14.820 -0.799 4.466
172 HG21 VAL 20 1HG2 VAL 20 14.373 -0.657 0.548
173 HG22 VAL 20 2HG2 VAL 20 13.135 -0.748 1.801
174 HG23 VAL 20 3HG2 VAL 20 14.431 -1.943 1.754
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -15.363 -0.983 0.493
2 H2 GLY 1 HT2 GLY 1 -15.859 -2.099 1.664
3 H3 GLY 1 HT3 GLY 1 -16.127 -2.419 0.025
4 HA2 GLY 1 HA1 GLY 1 -13.419 -2.095 1.180
5 HA3 GLY 1 HA2 GLY 1 -14.222 -3.653 1.070
6 H LEU 2 HN LEU 2 -13.281 -0.864 -0.919
7 HA LEU 2 HA LEU 2 -12.102 -2.567 -2.899
8 HB2 LEU 2 HB2 LEU 2 -14.712 -1.177 -3.437
9 HB3 LEU 2 HB1 LEU 2 -13.577 -1.487 -4.736
10 HG LEU 2 HG LEU 2 -14.993 -3.531 -3.030
11 HD11 LEU 2 1HD1 LEU 2 -15.634 -4.255 -5.443
12 HD12 LEU 2 2HD1 LEU 2 -15.214 -2.592 -5.852
13 HD13 LEU 2 3HD1 LEU 2 -16.484 -2.915 -4.671
14 HD21 LEU 2 1HD2 LEU 2 -12.739 -4.316 -3.375
15 HD22 LEU 2 2HD2 LEU 2 -12.828 -3.924 -5.092
16 HD23 LEU 2 3HD2 LEU 2 -13.832 -5.213 -4.427
17 H GLY 3 HN GLY 3 -13.651 0.614 -3.216
18 HA2 GLY 3 HA2 GLY 3 -11.112 1.750 -4.073
19 HA3 GLY 3 HA1 GLY 3 -12.679 2.547 -4.113
20 H SER 4 HN SER 4 -12.906 1.508 -1.181
21 HA SER 4 HA SER 4 -11.877 3.940 0.004
22 HB2 SER 4 HB2 SER 4 -13.080 1.773 1.669
23 HB3 SER 4 HB1 SER 4 -13.293 3.521 1.775
24 HG SER 4 HG SER 4 -14.457 3.258 -0.306
25 H VAL 5 HN VAL 5 -11.204 0.544 -0.079
26 HA VAL 5 HA VAL 5 -9.288 0.464 2.036
27 HB VAL 5 HB VAL 5 -9.413 -1.371 -0.315
28 HG11 VAL 5 1HG1 VAL 5 -7.653 -1.365 1.695
29 HG12 VAL 5 2HG1 VAL 5 -8.194 -2.848 0.909
30 HG13 VAL 5 3HG1 VAL 5 -8.918 -2.345 2.437
31 HG21 VAL 5 1HG2 VAL 5 -11.445 -0.931 1.717
32 HG22 VAL 5 2HG2 VAL 5 -10.901 -2.609 1.657
33 HG23 VAL 5 3HG2 VAL 5 -11.538 -1.835 0.205
34 H PHE 6 HN PHE 6 -9.272 1.192 -1.358
35 HA PHE 6 HA PHE 6 -6.743 0.784 -2.227
36 HB2 PHE 6 HB2 PHE 6 -7.413 2.065 -3.948
37 HB3 PHE 6 HB1 PHE 6 -8.911 2.302 -3.057
38 HD1 PHE 6 HD1 PHE 6 -6.131 3.887 -4.557
39 HD2 PHE 6 HD2 PHE 6 -8.948 4.290 -1.392
40 HE1 PHE 6 HE1 PHE 6 -5.687 6.306 -4.475
41 HE2 PHE 6 HE2 PHE 6 -8.511 6.709 -1.306
42 HZ PHE 6 HZ PHE 6 -6.879 7.721 -2.849
43 H GLY 7 HN GLY 7 -7.739 2.960 0.258
44 HA2 GLY 7 HA2 GLY 7 -5.444 4.651 0.285
45 HA3 GLY 7 HA1 GLY 7 -6.572 4.421 1.615
46 H ARG 8 HN ARG 8 -6.279 1.657 1.960
47 HA ARG 8 HA ARG 8 -3.862 1.595 3.496
48 HB2 ARG 8 HB2 ARG 8 -6.190 -0.211 3.083
49 HB3 ARG 8 HB1 ARG 8 -4.696 -0.940 3.655
50 HG2 ARG 8 HG2 ARG 8 -5.420 -0.412 5.692
51 HG3 ARG 8 HG1 ARG 8 -4.940 1.238 5.294
52 HD2 ARG 8 HD2 ARG 8 -7.574 0.570 4.265
53 HD3 ARG 8 HD1 ARG 8 -7.472 0.386 6.016
54 HE ARG 8 HE ARG 8 -6.345 2.801 5.598
55 HH11 ARG 8 1HH1 ARG 8 -9.366 1.387 4.573
56 HH12 ARG 8 2HH1 ARG 8 -10.206 2.901 4.533
57 HH21 ARG 8 1HH2 ARG 8 -7.450 4.795 5.545
58 HH22 ARG 8 2HH2 ARG 8 -9.118 4.833 5.083
59 H LEU 9 HN LEU 9 -5.083 -0.493 0.845
60 HA LEU 9 HA LEU 9 -2.880 -2.018 0.350
61 HB2 LEU 9 HB2 LEU 9 -5.020 -0.904 -1.374
62 HB3 LEU 9 HB1 LEU 9 -3.618 -1.568 -2.193
63 HG LEU 9 HG LEU 9 -4.157 -3.582 -0.465
64 HD11 LEU 9 1HD1 LEU 9 -6.690 -2.075 -0.919
65 HD12 LEU 9 2HD1 LEU 9 -6.115 -2.906 0.527
66 HD13 LEU 9 3HD1 LEU 9 -6.730 -3.836 -0.839
67 HD21 LEU 9 1HD2 LEU 9 -4.019 -3.311 -3.118
68 HD22 LEU 9 2HD2 LEU 9 -5.754 -3.585 -2.957
69 HD23 LEU 9 3HD2 LEU 9 -4.612 -4.777 -2.337
70 H ALA 10 HN ALA 10 -3.292 1.352 -0.373
71 HA ALA 10 HA ALA 10 -1.342 1.890 -2.225
72 HB1 ALA 10 HB1 ALA 10 -2.855 3.586 -1.461
73 HB2 ALA 10 HB2 ALA 10 -1.201 4.134 -1.186
74 HB3 ALA 10 HB3 ALA 10 -2.166 3.529 0.161
75 H ARG 11 HN ARG 11 -0.879 0.816 1.021
76 HA ARG 11 HA ARG 11 1.845 1.744 1.144
77 HB2 ARG 11 HB2 ARG 11 1.740 1.430 3.378
78 HB3 ARG 11 HB1 ARG 11 0.012 1.445 3.084
79 HG2 ARG 11 HG2 ARG 11 1.361 -1.192 2.951
80 HG3 ARG 11 HG1 ARG 11 1.234 -0.428 4.530
81 HD2 ARG 11 HD2 ARG 11 -1.004 -1.123 2.646
82 HD3 ARG 11 HD1 ARG 11 -0.677 -1.823 4.228
83 HE ARG 11 HE ARG 11 -1.784 0.836 3.694
84 HH11 ARG 11 1HH1 ARG 11 -0.826 -1.601 6.014
85 HH12 ARG 11 2HH1 ARG 11 -1.691 -0.872 7.323
86 HH21 ARG 11 1HH2 ARG 11 -2.921 1.790 5.423
87 HH22 ARG 11 2HH2 ARG 11 -2.879 1.049 6.989
88 H ILE 12 HN ILE 12 0.116 -1.364 0.909
89 HA ILE 12 HA ILE 12 2.330 -3.036 1.090
90 HB ILE 12 HB ILE 12 1.116 -4.677 -0.250
91 HG12 ILE 12 2HG1 ILE 12 -1.267 -2.899 -0.419
92 HG13 ILE 12 1HG1 ILE 12 0.004 -2.679 -1.614
93 HG21 ILE 12 1HG2 ILE 12 -1.090 -4.452 1.251
94 HG22 ILE 12 2HG2 ILE 12 -0.051 -3.296 2.085
95 HG23 ILE 12 3HG2 ILE 12 0.466 -4.972 1.897
96 HD11 ILE 12 1HD1 ILE 12 -2.078 -4.533 -1.660
97 HD12 ILE 12 2HD1 ILE 12 -0.613 -5.463 -1.339
98 HD13 ILE 12 3HD1 ILE 12 -0.706 -4.426 -2.762
99 H LEU 13 HN LEU 13 1.201 -1.125 -1.607
100 HA LEU 13 HA LEU 13 2.901 -2.335 -3.554
101 HB2 LEU 13 HB2 LEU 13 2.627 0.167 -4.543
102 HB3 LEU 13 HB1 LEU 13 1.460 -1.117 -4.785
103 HG LEU 13 HG LEU 13 1.031 0.481 -2.352
104 HD11 LEU 13 1HD1 LEU 13 -0.165 2.152 -4.081
105 HD12 LEU 13 2HD1 LEU 13 1.273 1.734 -5.012
106 HD13 LEU 13 3HD1 LEU 13 1.438 2.438 -3.404
107 HD21 LEU 13 1HD2 LEU 13 -1.259 0.251 -3.003
108 HD22 LEU 13 2HD2 LEU 13 -0.473 -1.301 -3.279
109 HD23 LEU 13 3HD2 LEU 13 -0.805 -0.227 -4.637
110 H GLY 14 HN GLY 14 3.227 0.055 -1.077
111 HA2 GLY 14 HA2 GLY 14 5.911 0.789 -2.018
112 HA3 GLY 14 HA1 GLY 14 5.027 1.551 -0.702
113 H ARG 15 HN ARG 15 4.411 -1.439 0.071
114 HA ARG 15 HA ARG 15 6.800 -1.709 1.766
115 HB2 ARG 15 HB2 ARG 15 3.948 -2.555 2.038
116 HB3 ARG 15 HB1 ARG 15 5.186 -3.475 2.880
117 HG2 ARG 15 HG2 ARG 15 4.454 -1.914 4.442
118 HG3 ARG 15 HG1 ARG 15 5.963 -1.237 3.824
119 HD2 ARG 15 HD2 ARG 15 4.699 0.210 2.313
120 HD3 ARG 15 HD1 ARG 15 3.192 -0.483 2.906
121 HE ARG 15 HE ARG 15 3.320 0.903 4.712
122 HH11 ARG 15 1HH1 ARG 15 6.497 0.668 3.290
123 HH12 ARG 15 2HH1 ARG 15 7.196 1.842 4.355
124 HH21 ARG 15 1HH2 ARG 15 4.236 2.446 6.112
125 HH22 ARG 15 2HH2 ARG 15 5.912 2.853 5.956
126 H VAL 16 HN VAL 16 6.682 -2.513 -1.041
127 HA VAL 16 HA VAL 16 7.079 -5.426 -0.767
128 HB VAL 16 HB VAL 16 5.301 -4.938 -2.389
129 HG11 VAL 16 1HG1 VAL 16 5.561 -3.586 -4.287
130 HG12 VAL 16 2HG1 VAL 16 7.311 -3.503 -4.095
131 HG13 VAL 16 3HG1 VAL 16 6.261 -2.648 -2.968
132 HG21 VAL 16 1HG2 VAL 16 7.713 -5.739 -3.982
133 HG22 VAL 16 2HG2 VAL 16 6.057 -6.332 -4.105
134 HG23 VAL 16 3HG2 VAL 16 7.052 -6.777 -2.718
135 H ILE 17 HN ILE 17 8.098 -2.481 -2.353
136 HA ILE 17 HA ILE 17 10.837 -3.130 -1.806
137 HB ILE 17 HB ILE 17 9.968 -2.562 -4.655
138 HG12 ILE 17 2HG1 ILE 17 9.535 -4.902 -3.955
139 HG13 ILE 17 1HG1 ILE 17 10.775 -4.791 -5.198
140 HG21 ILE 17 1HG2 ILE 17 12.005 -1.598 -4.685
141 HG22 ILE 17 2HG2 ILE 17 12.559 -3.265 -4.833
142 HG23 ILE 17 3HG2 ILE 17 12.561 -2.473 -3.258
143 HD11 ILE 17 1HD1 ILE 17 10.947 -6.165 -2.815
144 HD12 ILE 17 2HD1 ILE 17 11.905 -4.710 -2.537
145 HD13 ILE 17 3HD1 ILE 17 12.282 -5.766 -3.898
146 HA PRO 18 HA PRO 18 9.765 1.221 -1.383
147 HB2 PRO 18 HB2 PRO 18 10.445 1.108 1.372
148 HB3 PRO 18 HB1 PRO 18 8.819 1.139 0.690
149 HG2 PRO 18 HG2 PRO 18 9.942 -1.004 2.059
150 HG3 PRO 18 HG1 PRO 18 8.552 -1.114 0.965
151 HD2 PRO 18 HD2 PRO 18 11.413 -1.578 0.393
152 HD3 PRO 18 HD1 PRO 18 10.048 -2.574 -0.096
153 H LYS 19 HN LYS 19 11.189 2.825 -0.110
154 HA LYS 19 HA LYS 19 13.775 2.790 -1.237
155 HB2 LYS 19 HB2 LYS 19 14.144 4.885 -0.054
156 HB3 LYS 19 HB1 LYS 19 12.553 4.877 -0.802
157 HG2 LYS 19 HG2 LYS 19 11.528 5.152 1.146
158 HG3 LYS 19 HG1 LYS 19 12.469 3.870 1.910
159 HD2 LYS 19 HD2 LYS 19 14.121 6.181 1.443
160 HD3 LYS 19 HD1 LYS 19 12.673 6.635 2.342
161 HE2 LYS 19 HE2 LYS 19 13.823 5.960 4.143
162 HE3 LYS 19 HE1 LYS 19 13.413 4.333 3.604
163 HZ1 LYS 19 HZ1 LYS 19 15.522 4.288 2.373
164 HZ2 LYS 19 HZ2 LYS 19 15.758 4.482 4.037
165 HZ3 LYS 19 HZ3 LYS 19 15.919 5.809 3.001
166 H VAL 20 HN VAL 20 12.510 1.820 1.859
167 HA VAL 20 HA VAL 20 13.455 0.780 3.651
168 HB VAL 20 HB VAL 20 15.834 0.256 1.870
169 HG11 VAL 20 1HG1 VAL 20 16.364 -0.346 4.079
170 HG12 VAL 20 2HG1 VAL 20 15.883 -1.853 3.298
171 HG13 VAL 20 3HG1 VAL 20 14.759 -1.017 4.370
172 HG21 VAL 20 1HG2 VAL 20 14.305 -0.725 0.528
173 HG22 VAL 20 2HG2 VAL 20 13.096 -0.838 1.807
174 HG23 VAL 20 3HG2 VAL 20 14.402 -2.020 1.722
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -15.149 -1.105 1.877
2 H2 GLY 1 HT2 GLY 1 -15.159 -2.795 1.812
3 H3 GLY 1 HT3 GLY 1 -15.977 -1.900 0.633
4 HA2 GLY 1 HA1 GLY 1 -13.126 -1.374 0.941
5 HA3 GLY 1 HA2 GLY 1 -13.575 -2.918 0.231
6 H LEU 2 HN LEU 2 -12.507 -2.121 -1.704
7 HA LEU 2 HA LEU 2 -12.542 -1.292 -3.823
8 HB2 LEU 2 HB2 LEU 2 -15.475 -1.101 -3.157
9 HB3 LEU 2 HB1 LEU 2 -14.840 -0.625 -4.719
10 HG LEU 2 HG LEU 2 -15.808 -2.917 -4.672
11 HD11 LEU 2 1HD1 LEU 2 -13.507 -3.965 -5.534
12 HD12 LEU 2 2HD1 LEU 2 -13.055 -2.260 -5.516
13 HD13 LEU 2 3HD1 LEU 2 -14.441 -2.795 -6.467
14 HD21 LEU 2 1HD2 LEU 2 -14.761 -3.268 -2.291
15 HD22 LEU 2 2HD2 LEU 2 -13.387 -3.867 -3.221
16 HD23 LEU 2 3HD2 LEU 2 -14.970 -4.626 -3.397
17 H GLY 3 HN GLY 3 -11.223 0.463 -3.214
18 HA2 GLY 3 HA2 GLY 3 -10.925 2.773 -3.719
19 HA3 GLY 3 HA1 GLY 3 -12.622 3.042 -3.344
20 H SER 4 HN SER 4 -12.577 1.538 -0.877
21 HA SER 4 HA SER 4 -11.498 3.602 0.848
22 HB2 SER 4 HB2 SER 4 -12.773 1.056 1.825
23 HB3 SER 4 HB1 SER 4 -12.785 2.656 2.568
24 HG SER 4 HG SER 4 -14.193 1.812 0.257
25 H VAL 5 HN VAL 5 -10.963 0.258 0.031
26 HA VAL 5 HA VAL 5 -8.911 -0.243 1.963
27 HB VAL 5 HB VAL 5 -9.300 -1.687 -0.621
28 HG11 VAL 5 1HG1 VAL 5 -8.539 -2.862 2.035
29 HG12 VAL 5 2HG1 VAL 5 -7.342 -2.136 0.963
30 HG13 VAL 5 3HG1 VAL 5 -8.282 -3.526 0.421
31 HG21 VAL 5 1HG2 VAL 5 -11.434 -2.027 0.013
32 HG22 VAL 5 2HG2 VAL 5 -11.117 -1.549 1.680
33 HG23 VAL 5 3HG2 VAL 5 -10.731 -3.184 1.142
34 H PHE 6 HN PHE 6 -9.094 0.846 -1.359
35 HA PHE 6 HA PHE 6 -6.587 0.506 -2.347
36 HB2 PHE 6 HB2 PHE 6 -7.483 1.770 -3.966
37 HB3 PHE 6 HB1 PHE 6 -8.790 2.232 -2.883
38 HD1 PHE 6 HD1 PHE 6 -8.313 4.201 -1.281
39 HD2 PHE 6 HD2 PHE 6 -6.022 3.374 -4.769
40 HE1 PHE 6 HE1 PHE 6 -7.502 6.523 -1.292
41 HE2 PHE 6 HE2 PHE 6 -5.206 5.696 -4.788
42 HZ PHE 6 HZ PHE 6 -5.945 7.273 -3.048
43 H GLY 7 HN GLY 7 -7.531 2.510 0.302
44 HA2 GLY 7 HA2 GLY 7 -5.259 4.221 0.378
45 HA3 GLY 7 HA1 GLY 7 -6.339 3.878 1.725
46 H ARG 8 HN ARG 8 -5.974 1.066 1.755
47 HA ARG 8 HA ARG 8 -3.455 0.943 3.170
48 HB2 ARG 8 HB2 ARG 8 -5.641 -1.102 2.750
49 HB3 ARG 8 HB1 ARG 8 -4.198 -1.389 3.711
50 HG2 ARG 8 HG2 ARG 8 -5.637 -0.786 5.361
51 HG3 ARG 8 HG1 ARG 8 -5.005 0.806 4.937
52 HD2 ARG 8 HD2 ARG 8 -7.149 0.327 3.190
53 HD3 ARG 8 HD1 ARG 8 -7.697 -0.188 4.783
54 HE ARG 8 HE ARG 8 -7.070 2.506 3.934
55 HH11 ARG 8 1HH1 ARG 8 -7.621 0.360 6.634
56 HH12 ARG 8 2HH1 ARG 8 -8.029 1.639 7.727
57 HH21 ARG 8 1HH2 ARG 8 -7.609 4.187 5.373
58 HH22 ARG 8 2HH2 ARG 8 -8.022 3.811 7.012
59 H LEU 9 HN LEU 9 -4.965 -0.559 0.325
60 HA LEU 9 HA LEU 9 -2.939 -2.342 -0.348
61 HB2 LEU 9 HB2 LEU 9 -5.138 -0.995 -1.774
62 HB3 LEU 9 HB1 LEU 9 -3.826 -1.549 -2.796
63 HG LEU 9 HG LEU 9 -4.220 -3.784 -1.352
64 HD11 LEU 9 1HD1 LEU 9 -6.775 -2.239 -1.261
65 HD12 LEU 9 2HD1 LEU 9 -6.010 -3.220 -0.011
66 HD13 LEU 9 3HD1 LEU 9 -6.804 -3.999 -1.379
67 HD21 LEU 9 1HD2 LEU 9 -4.429 -3.119 -3.927
68 HD22 LEU 9 2HD2 LEU 9 -6.135 -3.397 -3.577
69 HD23 LEU 9 3HD2 LEU 9 -4.958 -4.681 -3.301
70 H ALA 10 HN ALA 10 -3.399 0.945 -1.669
71 HA ALA 10 HA ALA 10 -1.126 1.171 -3.191
72 HB1 ALA 10 HB1 ALA 10 -1.988 3.504 -1.545
73 HB2 ALA 10 HB2 ALA 10 -3.082 2.833 -2.755
74 HB3 ALA 10 HB3 ALA 10 -1.499 3.442 -3.238
75 H ARG 11 HN ARG 11 -1.331 1.035 0.240
76 HA ARG 11 HA ARG 11 1.292 2.160 0.668
77 HB2 ARG 11 HB2 ARG 11 -0.155 2.797 2.360
78 HB3 ARG 11 HB1 ARG 11 -0.958 1.238 2.407
79 HG2 ARG 11 HG2 ARG 11 1.692 0.757 3.195
80 HG3 ARG 11 HG1 ARG 11 1.192 2.234 4.018
81 HD2 ARG 11 HD2 ARG 11 0.306 0.813 5.518
82 HD3 ARG 11 HD1 ARG 11 -1.011 0.706 4.350
83 HE ARG 11 HE ARG 11 0.732 -1.219 3.548
84 HH11 ARG 11 1HH1 ARG 11 -0.859 -0.494 6.568
85 HH12 ARG 11 2HH1 ARG 11 -0.920 -2.147 7.077
86 HH21 ARG 11 1HH2 ARG 11 0.654 -3.395 4.217
87 HH22 ARG 11 2HH2 ARG 11 -0.061 -3.794 5.743
88 H ILE 12 HN ILE 12 -0.319 -1.023 0.982
89 HA ILE 12 HA ILE 12 1.853 -2.405 2.031
90 HB ILE 12 HB ILE 12 0.915 -4.439 1.305
91 HG12 ILE 12 2HG1 ILE 12 -1.302 -4.031 -0.236
92 HG13 ILE 12 1HG1 ILE 12 -0.208 -2.821 -0.883
93 HG21 ILE 12 1HG2 ILE 12 -1.713 -3.513 1.637
94 HG22 ILE 12 2HG2 ILE 12 -0.680 -2.395 2.528
95 HG23 ILE 12 3HG2 ILE 12 -0.617 -4.123 2.877
96 HD11 ILE 12 1HD1 ILE 12 -0.304 -5.538 -1.498
97 HD12 ILE 12 2HD1 ILE 12 1.171 -5.307 -0.558
98 HD13 ILE 12 3HD1 ILE 12 0.898 -4.358 -2.019
99 H LEU 13 HN LEU 13 1.083 -1.709 -1.356
100 HA LEU 13 HA LEU 13 3.180 -3.185 -2.500
101 HB2 LEU 13 HB2 LEU 13 3.073 -1.136 -4.221
102 HB3 LEU 13 HB1 LEU 13 1.897 -2.433 -4.213
103 HG LEU 13 HG LEU 13 1.141 -0.269 -2.423
104 HD11 LEU 13 1HD1 LEU 13 1.181 0.415 -5.352
105 HD12 LEU 13 2HD1 LEU 13 2.432 0.955 -4.233
106 HD13 LEU 13 3HD1 LEU 13 0.757 1.450 -3.988
107 HD21 LEU 13 1HD2 LEU 13 -0.979 -0.592 -3.436
108 HD22 LEU 13 2HD2 LEU 13 -0.246 -2.189 -3.323
109 HD23 LEU 13 3HD2 LEU 13 -0.265 -1.334 -4.865
110 H GLY 14 HN GLY 14 3.000 -0.052 -0.951
111 HA2 GLY 14 HA2 GLY 14 5.596 0.870 -1.629
112 HA3 GLY 14 HA1 GLY 14 4.662 1.370 -0.221
113 H ARG 15 HN ARG 15 4.450 -1.573 0.483
114 HA ARG 15 HA ARG 15 7.005 -1.765 1.924
115 HB2 ARG 15 HB2 ARG 15 4.280 -2.958 2.400
116 HB3 ARG 15 HB1 ARG 15 5.709 -3.554 3.232
117 HG2 ARG 15 HG2 ARG 15 4.857 -2.051 4.747
118 HG3 ARG 15 HG1 ARG 15 6.047 -1.068 3.890
119 HD2 ARG 15 HD2 ARG 15 4.462 0.178 2.831
120 HD3 ARG 15 HD1 ARG 15 3.287 -1.136 2.809
121 HE ARG 15 HE ARG 15 2.512 -0.451 4.865
122 HH11 ARG 15 1HH1 ARG 15 5.499 1.206 4.148
123 HH12 ARG 15 2HH1 ARG 15 5.335 2.326 5.459
124 HH21 ARG 15 1HH2 ARG 15 2.297 1.024 6.587
125 HH22 ARG 15 2HH2 ARG 15 3.521 2.223 6.843
126 H VAL 16 HN VAL 16 6.637 -2.445 -0.886
127 HA VAL 16 HA VAL 16 7.174 -5.342 -0.814
128 HB VAL 16 HB VAL 16 5.213 -4.260 -2.298
129 HG11 VAL 16 1HG1 VAL 16 5.914 -4.016 -4.631
130 HG12 VAL 16 2HG1 VAL 16 7.600 -4.170 -4.141
131 HG13 VAL 16 3HG1 VAL 16 6.649 -2.788 -3.603
132 HG21 VAL 16 1HG2 VAL 16 6.978 -6.467 -3.336
133 HG22 VAL 16 2HG2 VAL 16 5.258 -6.238 -3.647
134 HG23 VAL 16 3HG2 VAL 16 5.813 -6.652 -2.025
135 H ILE 17 HN ILE 17 7.939 -2.279 -2.325
136 HA ILE 17 HA ILE 17 10.737 -2.854 -2.057
137 HB ILE 17 HB ILE 17 9.542 -2.288 -4.786
138 HG12 ILE 17 2HG1 ILE 17 9.507 -4.668 -4.083
139 HG13 ILE 17 1HG1 ILE 17 10.566 -4.386 -5.461
140 HG21 ILE 17 1HG2 ILE 17 11.419 -1.049 -5.005
141 HG22 ILE 17 2HG2 ILE 17 12.158 -2.625 -5.283
142 HG23 ILE 17 3HG2 ILE 17 12.251 -1.877 -3.689
143 HD11 ILE 17 1HD1 ILE 17 11.504 -4.608 -2.612
144 HD12 ILE 17 2HD1 ILE 17 12.507 -4.509 -4.060
145 HD13 ILE 17 3HD1 ILE 17 11.503 -5.931 -3.778
146 HA PRO 18 HA PRO 18 9.576 1.433 -1.311
147 HB2 PRO 18 HB2 PRO 18 10.443 1.189 1.380
148 HB3 PRO 18 HB1 PRO 18 8.774 1.203 0.809
149 HG2 PRO 18 HG2 PRO 18 10.052 -0.972 1.975
150 HG3 PRO 18 HG1 PRO 18 8.593 -1.069 0.975
151 HD2 PRO 18 HD2 PRO 18 11.421 -1.406 0.181
152 HD3 PRO 18 HD1 PRO 18 10.055 -2.418 -0.268
153 H LYS 19 HN LYS 19 11.045 3.003 -0.029
154 HA LYS 19 HA LYS 19 13.570 3.064 -1.321
155 HB2 LYS 19 HB2 LYS 19 13.928 5.166 -0.176
156 HB3 LYS 19 HB1 LYS 19 12.280 5.104 -0.785
157 HG2 LYS 19 HG2 LYS 19 11.450 5.421 1.242
158 HG3 LYS 19 HG1 LYS 19 12.386 4.077 1.896
159 HD2 LYS 19 HD2 LYS 19 14.016 6.430 1.361
160 HD3 LYS 19 HD1 LYS 19 12.716 6.748 2.511
161 HE2 LYS 19 HE2 LYS 19 14.093 5.906 4.054
162 HE3 LYS 19 HE1 LYS 19 13.700 4.332 3.365
163 HZ1 LYS 19 HZ1 LYS 19 15.637 4.413 2.009
164 HZ2 LYS 19 HZ2 LYS 19 16.116 4.784 3.588
165 HZ3 LYS 19 HZ3 LYS 19 15.961 6.017 2.441
166 H VAL 20 HN VAL 20 12.468 2.037 1.814
167 HA VAL 20 HA VAL 20 13.509 1.047 3.577
168 HB VAL 20 HB VAL 20 15.769 0.465 1.664
169 HG11 VAL 20 1HG1 VAL 20 16.525 -0.225 3.719
170 HG12 VAL 20 2HG1 VAL 20 15.697 -1.682 3.169
171 HG13 VAL 20 3HG1 VAL 20 14.906 -0.597 4.311
172 HG21 VAL 20 1HG2 VAL 20 14.169 -0.527 0.427
173 HG22 VAL 20 2HG2 VAL 20 13.015 -0.566 1.760
174 HG23 VAL 20 3HG2 VAL 20 14.280 -1.790 1.652
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -13.359 -0.602 1.188
2 H2 GLY 1 HT2 GLY 1 -14.227 -1.231 2.496
3 H3 GLY 1 HT3 GLY 1 -15.046 -0.700 1.115
4 HA2 GLY 1 HA1 GLY 1 -13.110 -2.945 1.106
5 HA3 GLY 1 HA2 GLY 1 -14.840 -3.165 1.315
6 H LEU 2 HN LEU 2 -13.269 -0.804 -0.786
7 HA LEU 2 HA LEU 2 -13.126 -2.039 -3.195
8 HB2 LEU 2 HB2 LEU 2 -15.853 -2.015 -2.404
9 HB3 LEU 2 HB1 LEU 2 -15.691 -0.838 -3.688
10 HG LEU 2 HG LEU 2 -16.342 -3.061 -4.522
11 HD11 LEU 2 1HD1 LEU 2 -15.371 -2.041 -6.276
12 HD12 LEU 2 2HD1 LEU 2 -14.111 -3.248 -6.020
13 HD13 LEU 2 3HD1 LEU 2 -13.919 -1.621 -5.367
14 HD21 LEU 2 1HD2 LEU 2 -13.807 -3.857 -3.154
15 HD22 LEU 2 2HD2 LEU 2 -14.354 -4.737 -4.581
16 HD23 LEU 2 3HD2 LEU 2 -15.382 -4.650 -3.150
17 H GLY 3 HN GLY 3 -11.541 -0.343 -3.019
18 HA2 GLY 3 HA2 GLY 3 -10.866 1.610 -4.188
19 HA3 GLY 3 HA1 GLY 3 -12.534 2.168 -4.164
20 H SER 4 HN SER 4 -12.789 1.484 -1.290
21 HA SER 4 HA SER 4 -11.746 3.971 -0.233
22 HB2 SER 4 HB2 SER 4 -12.908 2.575 1.881
23 HB3 SER 4 HB1 SER 4 -13.698 3.796 0.885
24 HG SER 4 HG SER 4 -14.495 2.170 -0.429
25 H VAL 5 HN VAL 5 -11.155 0.575 -0.102
26 HA VAL 5 HA VAL 5 -9.350 0.584 2.127
27 HB VAL 5 HB VAL 5 -9.434 -1.434 -0.066
28 HG11 VAL 5 1HG1 VAL 5 -8.479 -1.359 2.745
29 HG12 VAL 5 2HG1 VAL 5 -7.744 -2.096 1.321
30 HG13 VAL 5 3HG1 VAL 5 -9.098 -2.889 2.126
31 HG21 VAL 5 1HG2 VAL 5 -11.533 -0.796 1.881
32 HG22 VAL 5 2HG2 VAL 5 -11.100 -2.503 1.799
33 HG23 VAL 5 3HG2 VAL 5 -11.636 -1.659 0.347
34 H PHE 6 HN PHE 6 -9.211 1.251 -1.233
35 HA PHE 6 HA PHE 6 -6.738 0.616 -2.116
36 HB2 PHE 6 HB2 PHE 6 -7.098 2.161 -3.755
37 HB3 PHE 6 HB1 PHE 6 -8.703 2.214 -3.029
38 HD1 PHE 6 HD1 PHE 6 -6.015 4.153 -4.129
39 HD2 PHE 6 HD2 PHE 6 -8.924 3.939 -1.031
40 HE1 PHE 6 HE1 PHE 6 -5.739 6.562 -3.709
41 HE2 PHE 6 HE2 PHE 6 -8.656 6.347 -0.606
42 HZ PHE 6 HZ PHE 6 -7.061 7.662 -1.945
43 H GLY 7 HN GLY 7 -7.505 2.813 0.429
44 HA2 GLY 7 HA2 GLY 7 -5.108 4.316 0.512
45 HA3 GLY 7 HA1 GLY 7 -6.196 4.046 1.869
46 H ARG 8 HN ARG 8 -6.052 1.250 1.979
47 HA ARG 8 HA ARG 8 -3.609 0.924 3.432
48 HB2 ARG 8 HB2 ARG 8 -5.988 -0.788 2.840
49 HB3 ARG 8 HB1 ARG 8 -4.519 -1.555 3.427
50 HG2 ARG 8 HG2 ARG 8 -5.394 -1.155 5.446
51 HG3 ARG 8 HG1 ARG 8 -4.773 0.478 5.196
52 HD2 ARG 8 HD2 ARG 8 -7.106 0.776 3.976
53 HD3 ARG 8 HD1 ARG 8 -7.560 -0.546 5.051
54 HE ARG 8 HE ARG 8 -6.222 1.612 6.391
55 HH11 ARG 8 1HH1 ARG 8 -9.302 0.439 5.244
56 HH12 ARG 8 2HH1 ARG 8 -10.221 1.370 6.378
57 HH21 ARG 8 1HH2 ARG 8 -7.428 2.836 7.885
58 HH22 ARG 8 2HH2 ARG 8 -9.157 2.732 7.878
59 H LEU 9 HN LEU 9 -4.981 -0.687 0.551
60 HA LEU 9 HA LEU 9 -2.814 -2.272 -0.108
61 HB2 LEU 9 HB2 LEU 9 -4.973 -0.975 -1.715
62 HB3 LEU 9 HB1 LEU 9 -3.669 -1.800 -2.547
63 HG LEU 9 HG LEU 9 -4.334 -3.748 -0.849
64 HD11 LEU 9 1HD1 LEU 9 -6.868 -2.160 -1.223
65 HD12 LEU 9 2HD1 LEU 9 -6.060 -2.527 0.301
66 HD13 LEU 9 3HD1 LEU 9 -6.796 -3.823 -0.641
67 HD21 LEU 9 1HD2 LEU 9 -4.465 -3.405 -3.499
68 HD22 LEU 9 2HD2 LEU 9 -6.189 -3.501 -3.138
69 HD23 LEU 9 3HD2 LEU 9 -5.116 -4.825 -2.680
70 H ALA 10 HN ALA 10 -3.411 1.107 -0.942
71 HA ALA 10 HA ALA 10 -1.410 1.634 -2.736
72 HB1 ALA 10 HB1 ALA 10 -2.498 3.363 -0.532
73 HB2 ALA 10 HB2 ALA 10 -2.995 3.319 -2.223
74 HB3 ALA 10 HB3 ALA 10 -1.408 3.954 -1.786
75 H ARG 11 HN ARG 11 -1.020 0.833 0.595
76 HA ARG 11 HA ARG 11 1.649 1.910 0.734
77 HB2 ARG 11 HB2 ARG 11 1.600 1.515 3.020
78 HB3 ARG 11 HB1 ARG 11 -0.074 1.896 2.655
79 HG2 ARG 11 HG2 ARG 11 -0.170 -0.770 2.407
80 HG3 ARG 11 HG1 ARG 11 1.144 -0.629 3.572
81 HD2 ARG 11 HD2 ARG 11 -1.666 0.422 3.826
82 HD3 ARG 11 HD1 ARG 11 -0.889 -0.825 4.801
83 HE ARG 11 HE ARG 11 0.442 1.718 4.918
84 HH11 ARG 11 1HH1 ARG 11 -2.124 -0.226 6.265
85 HH12 ARG 11 2HH1 ARG 11 -2.148 0.626 7.772
86 HH21 ARG 11 1HH2 ARG 11 0.412 2.841 6.901
87 HH22 ARG 11 2HH2 ARG 11 -0.709 2.367 8.134
88 H ILE 12 HN ILE 12 0.077 -1.287 0.613
89 HA ILE 12 HA ILE 12 2.342 -2.836 1.050
90 HB ILE 12 HB ILE 12 1.295 -4.624 -0.211
91 HG12 ILE 12 2HG1 ILE 12 -1.186 -3.133 -0.765
92 HG13 ILE 12 1HG1 ILE 12 0.180 -2.692 -1.779
93 HG21 ILE 12 1HG2 ILE 12 -1.058 -4.355 1.041
94 HG22 ILE 12 2HG2 ILE 12 -0.141 -3.089 1.859
95 HG23 ILE 12 3HG2 ILE 12 0.443 -4.753 1.877
96 HD11 ILE 12 1HD1 ILE 12 -0.398 -4.398 -3.067
97 HD12 ILE 12 2HD1 ILE 12 -1.494 -5.044 -1.846
98 HD13 ILE 12 3HD1 ILE 12 0.221 -5.449 -1.792
99 H LEU 13 HN LEU 13 1.292 -1.160 -1.827
100 HA LEU 13 HA LEU 13 3.163 -2.367 -3.599
101 HB2 LEU 13 HB2 LEU 13 2.828 0.106 -4.689
102 HB3 LEU 13 HB1 LEU 13 1.778 -1.264 -4.985
103 HG LEU 13 HG LEU 13 1.083 0.403 -2.647
104 HD11 LEU 13 1HD1 LEU 13 0.333 1.434 -5.351
105 HD12 LEU 13 2HD1 LEU 13 1.844 1.939 -4.595
106 HD13 LEU 13 3HD1 LEU 13 0.307 2.256 -3.790
107 HD21 LEU 13 1HD2 LEU 13 -1.142 -0.098 -3.351
108 HD22 LEU 13 2HD2 LEU 13 -0.201 -1.580 -3.504
109 HD23 LEU 13 3HD2 LEU 13 -0.585 -0.627 -4.937
110 H GLY 14 HN GLY 14 3.244 0.135 -1.216
111 HA2 GLY 14 HA2 GLY 14 5.955 0.935 -2.023
112 HA3 GLY 14 HA1 GLY 14 4.960 1.724 -0.804
113 H ARG 15 HN ARG 15 4.338 -1.157 0.151
114 HA ARG 15 HA ARG 15 6.669 -1.356 1.933
115 HB2 ARG 15 HB2 ARG 15 3.793 -2.171 2.179
116 HB3 ARG 15 HB1 ARG 15 5.014 -2.937 3.186
117 HG2 ARG 15 HG2 ARG 15 4.222 -1.216 4.516
118 HG3 ARG 15 HG1 ARG 15 5.694 -0.538 3.816
119 HD2 ARG 15 HD2 ARG 15 4.360 0.610 2.119
120 HD3 ARG 15 HD1 ARG 15 2.890 -0.078 2.806
121 HE ARG 15 HE ARG 15 2.973 1.482 4.487
122 HH11 ARG 15 1HH1 ARG 15 6.019 1.475 2.782
123 HH12 ARG 15 2HH1 ARG 15 6.611 2.892 3.581
124 HH21 ARG 15 1HH2 ARG 15 3.752 3.345 5.539
125 HH22 ARG 15 2HH2 ARG 15 5.326 3.954 5.146
126 H VAL 16 HN VAL 16 6.589 -2.363 -0.812
127 HA VAL 16 HA VAL 16 6.873 -5.257 -0.318
128 HB VAL 16 HB VAL 16 5.143 -4.803 -2.004
129 HG11 VAL 16 1HG1 VAL 16 5.530 -3.643 -4.019
130 HG12 VAL 16 2HG1 VAL 16 7.270 -3.580 -3.738
131 HG13 VAL 16 3HG1 VAL 16 6.180 -2.620 -2.739
132 HG21 VAL 16 1HG2 VAL 16 6.865 -6.728 -2.153
133 HG22 VAL 16 2HG2 VAL 16 7.493 -5.835 -3.539
134 HG23 VAL 16 3HG2 VAL 16 5.822 -6.400 -3.536
135 H ILE 17 HN ILE 17 8.042 -2.484 -2.111
136 HA ILE 17 HA ILE 17 10.745 -3.195 -1.452
137 HB ILE 17 HB ILE 17 9.944 -2.828 -4.353
138 HG12 ILE 17 2HG1 ILE 17 9.392 -5.079 -3.470
139 HG13 ILE 17 1HG1 ILE 17 10.654 -5.129 -4.697
140 HG21 ILE 17 1HG2 ILE 17 12.023 -1.956 -4.419
141 HG22 ILE 17 2HG2 ILE 17 12.502 -3.654 -4.434
142 HG23 ILE 17 3HG2 ILE 17 12.520 -2.745 -2.922
143 HD11 ILE 17 1HD1 ILE 17 10.735 -6.324 -2.226
144 HD12 ILE 17 2HD1 ILE 17 11.727 -4.882 -2.015
145 HD13 ILE 17 3HD1 ILE 17 12.111 -6.037 -3.290
146 HA PRO 18 HA PRO 18 9.843 1.218 -1.403
147 HB2 PRO 18 HB2 PRO 18 10.438 1.287 1.376
148 HB3 PRO 18 HB1 PRO 18 8.838 1.344 0.635
149 HG2 PRO 18 HG2 PRO 18 9.795 -0.739 2.199
150 HG3 PRO 18 HG1 PRO 18 8.453 -0.873 1.049
151 HD2 PRO 18 HD2 PRO 18 11.318 -1.484 0.644
152 HD3 PRO 18 HD1 PRO 18 9.937 -2.472 0.182
153 H LYS 19 HN LYS 19 11.285 2.865 -0.202
154 HA LYS 19 HA LYS 19 13.888 2.690 -1.259
155 HB2 LYS 19 HB2 LYS 19 14.306 4.817 -0.086
156 HB3 LYS 19 HB1 LYS 19 12.795 4.840 -0.985
157 HG2 LYS 19 HG2 LYS 19 11.643 5.324 0.842
158 HG3 LYS 19 HG1 LYS 19 12.325 3.942 1.699
159 HD2 LYS 19 HD2 LYS 19 14.258 6.081 1.432
160 HD3 LYS 19 HD1 LYS 19 12.785 6.640 2.226
161 HE2 LYS 19 HE2 LYS 19 13.454 5.684 4.114
162 HE3 LYS 19 HE1 LYS 19 13.427 4.110 3.320
163 HZ1 LYS 19 HZ1 LYS 19 15.696 4.437 2.620
164 HZ2 LYS 19 HZ2 LYS 19 15.593 4.630 4.297
165 HZ3 LYS 19 HZ3 LYS 19 15.728 5.988 3.297
166 H VAL 20 HN VAL 20 12.545 1.913 1.856
167 HA VAL 20 HA VAL 20 13.423 0.922 3.708
168 HB VAL 20 HB VAL 20 15.852 0.290 2.035
169 HG11 VAL 20 1HG1 VAL 20 16.468 -1.144 3.656
170 HG12 VAL 20 2HG1 VAL 20 14.808 -1.623 4.009
171 HG13 VAL 20 3HG1 VAL 20 15.454 -0.124 4.678
172 HG21 VAL 20 1HG2 VAL 20 14.304 -0.659 0.666
173 HG22 VAL 20 2HG2 VAL 20 13.101 -0.812 1.946
174 HG23 VAL 20 3HG2 VAL 20 14.437 -1.959 1.849
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -15.280 -2.191 2.402
2 H2 GLY 1 HT2 GLY 1 -15.647 -3.477 1.366
3 H3 GLY 1 HT3 GLY 1 -16.126 -1.905 0.964
4 HA2 GLY 1 HA1 GLY 1 -13.703 -1.287 0.942
5 HA3 GLY 1 HA2 GLY 1 -13.379 -3.013 1.014
6 H LEU 2 HN LEU 2 -13.221 -0.646 -1.055
7 HA LEU 2 HA LEU 2 -13.066 -2.050 -3.380
8 HB2 LEU 2 HB2 LEU 2 -15.795 -1.899 -2.639
9 HB3 LEU 2 HB1 LEU 2 -15.587 -0.781 -3.970
10 HG LEU 2 HG LEU 2 -16.290 -2.992 -4.749
11 HD11 LEU 2 1HD1 LEU 2 -15.024 -2.895 -6.612
12 HD12 LEU 2 2HD1 LEU 2 -13.505 -2.899 -5.715
13 HD13 LEU 2 3HD1 LEU 2 -14.435 -1.408 -5.869
14 HD21 LEU 2 1HD2 LEU 2 -13.845 -3.864 -3.261
15 HD22 LEU 2 2HD2 LEU 2 -14.420 -4.785 -4.651
16 HD23 LEU 2 3HD2 LEU 2 -15.468 -4.554 -3.251
17 H GLY 3 HN GLY 3 -11.429 -0.363 -3.146
18 HA2 GLY 3 HA2 GLY 3 -10.632 1.477 -4.432
19 HA3 GLY 3 HA1 GLY 3 -12.280 2.086 -4.526
20 H SER 4 HN SER 4 -12.729 1.599 -1.656
21 HA SER 4 HA SER 4 -11.633 4.093 -0.669
22 HB2 SER 4 HB2 SER 4 -13.175 2.309 1.141
23 HB3 SER 4 HB1 SER 4 -13.312 4.050 0.891
24 HG SER 4 HG SER 4 -15.068 3.394 -0.120
25 H VAL 5 HN VAL 5 -11.182 0.695 -0.370
26 HA VAL 5 HA VAL 5 -9.571 0.688 1.994
27 HB VAL 5 HB VAL 5 -9.486 -1.333 -0.197
28 HG11 VAL 5 1HG1 VAL 5 -8.033 -1.243 2.030
29 HG12 VAL 5 2HG1 VAL 5 -8.570 -2.765 1.320
30 HG13 VAL 5 3HG1 VAL 5 -9.453 -2.064 2.676
31 HG21 VAL 5 1HG2 VAL 5 -11.745 -0.657 1.539
32 HG22 VAL 5 2HG2 VAL 5 -11.318 -2.369 1.541
33 HG23 VAL 5 3HG2 VAL 5 -11.710 -1.559 0.024
34 H PHE 6 HN PHE 6 -9.118 1.346 -1.337
35 HA PHE 6 HA PHE 6 -6.592 0.667 -1.998
36 HB2 PHE 6 HB2 PHE 6 -6.794 2.204 -3.666
37 HB3 PHE 6 HB1 PHE 6 -8.447 2.308 -3.065
38 HD1 PHE 6 HD1 PHE 6 -5.509 4.119 -3.829
39 HD2 PHE 6 HD2 PHE 6 -8.889 4.097 -1.243
40 HE1 PHE 6 HE1 PHE 6 -5.198 6.523 -3.407
41 HE2 PHE 6 HE2 PHE 6 -8.585 6.502 -0.819
42 HZ PHE 6 HZ PHE 6 -6.737 7.718 -1.901
43 H GLY 7 HN GLY 7 -7.534 2.875 0.479
44 HA2 GLY 7 HA2 GLY 7 -5.161 4.366 0.783
45 HA3 GLY 7 HA1 GLY 7 -6.329 4.042 2.058
46 H ARG 8 HN ARG 8 -6.130 1.216 2.026
47 HA ARG 8 HA ARG 8 -3.742 0.897 3.602
48 HB2 ARG 8 HB2 ARG 8 -6.181 -0.699 3.042
49 HB3 ARG 8 HB1 ARG 8 -4.733 -1.606 3.458
50 HG2 ARG 8 HG2 ARG 8 -5.585 -1.315 5.538
51 HG3 ARG 8 HG1 ARG 8 -4.633 0.167 5.423
52 HD2 ARG 8 HD2 ARG 8 -7.284 0.495 4.298
53 HD3 ARG 8 HD1 ARG 8 -7.347 -0.032 5.979
54 HE ARG 8 HE ARG 8 -5.550 1.978 6.049
55 HH11 ARG 8 1HH1 ARG 8 -8.777 1.734 4.741
56 HH12 ARG 8 2HH1 ARG 8 -9.142 3.407 4.998
57 HH21 ARG 8 1HH2 ARG 8 -6.031 4.179 6.389
58 HH22 ARG 8 2HH2 ARG 8 -7.584 4.795 5.934
59 H LEU 9 HN LEU 9 -5.062 -0.673 0.667
60 HA LEU 9 HA LEU 9 -2.827 -2.220 0.052
61 HB2 LEU 9 HB2 LEU 9 -4.910 -0.953 -1.716
62 HB3 LEU 9 HB1 LEU 9 -3.651 -1.996 -2.351
63 HG LEU 9 HG LEU 9 -4.632 -3.612 -0.434
64 HD11 LEU 9 1HD1 LEU 9 -6.783 -1.666 -1.118
65 HD12 LEU 9 2HD1 LEU 9 -6.401 -2.430 0.425
66 HD13 LEU 9 3HD1 LEU 9 -7.202 -3.357 -0.844
67 HD21 LEU 9 1HD2 LEU 9 -4.439 -3.715 -3.089
68 HD22 LEU 9 2HD2 LEU 9 -6.191 -3.565 -2.954
69 HD23 LEU 9 3HD2 LEU 9 -5.356 -4.900 -2.160
70 H ALA 10 HN ALA 10 -3.313 1.177 -0.186
71 HA ALA 10 HA ALA 10 -1.450 1.835 -2.177
72 HB1 ALA 10 HB1 ALA 10 -2.626 3.342 0.127
73 HB2 ALA 10 HB2 ALA 10 -2.923 3.539 -1.600
74 HB3 ALA 10 HB3 ALA 10 -1.392 4.068 -0.903
75 H ARG 11 HN ARG 11 -1.021 0.754 1.052
76 HA ARG 11 HA ARG 11 1.661 1.791 1.277
77 HB2 ARG 11 HB2 ARG 11 1.627 1.129 3.517
78 HB3 ARG 11 HB1 ARG 11 -0.011 1.670 3.196
79 HG2 ARG 11 HG2 ARG 11 -0.282 -0.953 2.668
80 HG3 ARG 11 HG1 ARG 11 1.005 -1.011 3.872
81 HD2 ARG 11 HD2 ARG 11 -1.835 -0.300 4.158
82 HD3 ARG 11 HD1 ARG 11 -0.729 -1.025 5.318
83 HE ARG 11 HE ARG 11 -1.138 1.832 4.838
84 HH11 ARG 11 1HH1 ARG 11 0.525 -0.683 6.608
85 HH12 ARG 11 2HH1 ARG 11 1.034 0.380 7.875
86 HH21 ARG 11 1HH2 ARG 11 -0.468 3.222 6.506
87 HH22 ARG 11 2HH2 ARG 11 0.472 2.594 7.818
88 H ILE 12 HN ILE 12 0.048 -1.358 0.892
89 HA ILE 12 HA ILE 12 2.263 -2.993 1.204
90 HB ILE 12 HB ILE 12 1.179 -4.630 -0.232
91 HG12 ILE 12 2HG1 ILE 12 -1.284 -3.101 -0.650
92 HG13 ILE 12 1HG1 ILE 12 0.083 -2.479 -1.561
93 HG21 ILE 12 1HG2 ILE 12 -1.162 -4.433 1.038
94 HG22 ILE 12 2HG2 ILE 12 -0.239 -3.248 1.962
95 HG23 ILE 12 3HG2 ILE 12 0.328 -4.914 1.848
96 HD11 ILE 12 1HD1 ILE 12 -1.505 -4.854 -1.990
97 HD12 ILE 12 2HD1 ILE 12 0.226 -5.195 -1.971
98 HD13 ILE 12 3HD1 ILE 12 -0.425 -3.998 -3.090
99 H LEU 13 HN LEU 13 1.271 -1.097 -1.581
100 HA LEU 13 HA LEU 13 3.177 -2.183 -3.389
101 HB2 LEU 13 HB2 LEU 13 2.827 -0.044 -4.654
102 HB3 LEU 13 HB1 LEU 13 1.367 -0.960 -4.334
103 HG LEU 13 HG LEU 13 1.421 0.725 -2.190
104 HD11 LEU 13 1HD1 LEU 13 1.724 2.970 -3.624
105 HD12 LEU 13 2HD1 LEU 13 2.957 1.964 -4.385
106 HD13 LEU 13 3HD1 LEU 13 3.012 2.263 -2.648
107 HD21 LEU 13 1HD2 LEU 13 -0.194 2.105 -3.678
108 HD22 LEU 13 2HD2 LEU 13 -0.589 0.429 -3.296
109 HD23 LEU 13 3HD2 LEU 13 0.098 0.836 -4.868
110 H GLY 14 HN GLY 14 3.240 0.040 -0.769
111 HA2 GLY 14 HA2 GLY 14 5.886 1.062 -1.495
112 HA3 GLY 14 HA1 GLY 14 4.905 1.579 -0.128
113 H ARG 15 HN ARG 15 4.445 -1.422 0.417
114 HA ARG 15 HA ARG 15 6.896 -1.781 2.003
115 HB2 ARG 15 HB2 ARG 15 4.090 -2.825 2.286
116 HB3 ARG 15 HB1 ARG 15 5.432 -3.562 3.153
117 HG2 ARG 15 HG2 ARG 15 4.637 -2.071 4.705
118 HG3 ARG 15 HG1 ARG 15 5.911 -1.127 3.930
119 HD2 ARG 15 HD2 ARG 15 4.365 0.106 2.654
120 HD3 ARG 15 HD1 ARG 15 3.059 -1.026 3.001
121 HE ARG 15 HE ARG 15 2.626 0.143 4.910
122 HH11 ARG 15 1HH1 ARG 15 5.890 0.852 3.907
123 HH12 ARG 15 2HH1 ARG 15 6.141 2.052 5.129
124 HH21 ARG 15 1HH2 ARG 15 2.949 1.720 6.523
125 HH22 ARG 15 2HH2 ARG 15 4.468 2.548 6.617
126 H VAL 16 HN VAL 16 6.638 -2.406 -0.859
127 HA VAL 16 HA VAL 16 7.094 -5.320 -0.766
128 HB VAL 16 HB VAL 16 5.214 -4.808 -2.237
129 HG11 VAL 16 1HG1 VAL 16 7.052 -3.192 -3.976
130 HG12 VAL 16 2HG1 VAL 16 6.048 -2.458 -2.727
131 HG13 VAL 16 3HG1 VAL 16 5.296 -3.335 -4.058
132 HG21 VAL 16 1HG2 VAL 16 7.770 -5.790 -3.419
133 HG22 VAL 16 2HG2 VAL 16 6.359 -5.600 -4.459
134 HG23 VAL 16 3HG2 VAL 16 6.283 -6.666 -3.057
135 H ILE 17 HN ILE 17 7.971 -2.299 -2.298
136 HA ILE 17 HA ILE 17 10.754 -2.942 -1.983
137 HB ILE 17 HB ILE 17 9.669 -2.239 -4.727
138 HG12 ILE 17 2HG1 ILE 17 9.212 -4.600 -4.075
139 HG13 ILE 17 1HG1 ILE 17 10.316 -4.460 -5.437
140 HG21 ILE 17 1HG2 ILE 17 11.932 -2.413 -5.495
141 HG22 ILE 17 2HG2 ILE 17 12.480 -2.948 -3.906
142 HG23 ILE 17 3HG2 ILE 17 11.891 -1.300 -4.128
143 HD11 ILE 17 1HD1 ILE 17 11.981 -5.454 -4.336
144 HD12 ILE 17 2HD1 ILE 17 10.711 -6.021 -3.251
145 HD13 ILE 17 3HD1 ILE 17 11.645 -4.582 -2.840
146 HA PRO 18 HA PRO 18 9.692 1.378 -1.300
147 HB2 PRO 18 HB2 PRO 18 10.601 1.149 1.386
148 HB3 PRO 18 HB1 PRO 18 8.925 1.222 0.838
149 HG2 PRO 18 HG2 PRO 18 10.116 -0.985 2.023
150 HG3 PRO 18 HG1 PRO 18 8.664 -1.047 1.010
151 HD2 PRO 18 HD2 PRO 18 11.486 -1.464 0.240
152 HD3 PRO 18 HD1 PRO 18 10.103 -2.460 -0.191
153 H LYS 19 HN LYS 19 11.212 2.946 -0.070
154 HA LYS 19 HA LYS 19 13.664 3.041 -1.432
155 HB2 LYS 19 HB2 LYS 19 14.173 4.980 0.035
156 HB3 LYS 19 HB1 LYS 19 12.599 5.086 -0.741
157 HG2 LYS 19 HG2 LYS 19 11.456 4.654 1.247
158 HG3 LYS 19 HG1 LYS 19 12.895 4.011 2.041
159 HD2 LYS 19 HD2 LYS 19 13.730 6.514 1.457
160 HD3 LYS 19 HD1 LYS 19 12.004 6.799 1.689
161 HE2 LYS 19 HE2 LYS 19 12.393 6.847 3.877
162 HE3 LYS 19 HE1 LYS 19 12.740 5.121 3.788
163 HZ1 LYS 19 HZ1 LYS 19 15.001 5.491 3.737
164 HZ2 LYS 19 HZ2 LYS 19 14.484 6.708 4.792
165 HZ3 LYS 19 HZ3 LYS 19 14.853 7.084 3.184
166 H VAL 20 HN VAL 20 12.748 1.606 1.567
167 HA VAL 20 HA VAL 20 13.890 0.314 3.055
168 HB VAL 20 HB VAL 20 16.371 0.470 1.374
169 HG11 VAL 20 1HG1 VAL 20 16.743 -0.765 3.312
170 HG12 VAL 20 2HG1 VAL 20 16.385 -1.997 2.102
171 HG13 VAL 20 3HG1 VAL 20 15.146 -1.511 3.259
172 HG21 VAL 20 1HG2 VAL 20 15.118 -0.143 -0.402
173 HG22 VAL 20 2HG2 VAL 20 13.766 -0.674 0.600
174 HG23 VAL 20 3HG2 VAL 20 15.163 -1.728 0.371
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -15.349 -0.833 0.350
2 H2 GLY 1 HT2 GLY 1 -15.705 -1.755 1.723
3 H3 GLY 1 HT3 GLY 1 -16.148 -2.316 0.190
4 HA2 GLY 1 HA1 GLY 1 -13.363 -1.933 1.143
5 HA3 GLY 1 HA2 GLY 1 -14.189 -3.480 1.032
6 H LEU 2 HN LEU 2 -13.135 -0.699 -0.893
7 HA LEU 2 HA LEU 2 -12.112 -2.397 -2.957
8 HB2 LEU 2 HB2 LEU 2 -14.658 -0.862 -3.386
9 HB3 LEU 2 HB1 LEU 2 -13.569 -1.174 -4.723
10 HG LEU 2 HG LEU 2 -15.046 -3.212 -3.063
11 HD11 LEU 2 1HD1 LEU 2 -16.454 -3.451 -4.796
12 HD12 LEU 2 2HD1 LEU 2 -15.191 -3.191 -5.998
13 HD13 LEU 2 3HD1 LEU 2 -15.935 -1.812 -5.188
14 HD21 LEU 2 1HD2 LEU 2 -12.902 -4.160 -3.445
15 HD22 LEU 2 2HD2 LEU 2 -12.871 -3.582 -5.111
16 HD23 LEU 2 3HD2 LEU 2 -13.990 -4.861 -4.642
17 H GLY 3 HN GLY 3 -13.500 0.871 -3.095
18 HA2 GLY 3 HA2 GLY 3 -10.922 1.910 -3.971
19 HA3 GLY 3 HA1 GLY 3 -12.450 2.779 -3.969
20 H SER 4 HN SER 4 -12.747 1.690 -1.086
21 HA SER 4 HA SER 4 -11.554 4.005 0.180
22 HB2 SER 4 HB2 SER 4 -12.656 2.468 2.205
23 HB3 SER 4 HB1 SER 4 -13.477 3.767 1.341
24 HG SER 4 HG SER 4 -14.355 2.247 -0.051
25 H VAL 5 HN VAL 5 -11.035 0.615 -0.134
26 HA VAL 5 HA VAL 5 -9.175 0.289 2.018
27 HB VAL 5 HB VAL 5 -9.357 -1.363 -0.461
28 HG11 VAL 5 1HG1 VAL 5 -7.611 -1.562 1.565
29 HG12 VAL 5 2HG1 VAL 5 -8.169 -2.952 0.635
30 HG13 VAL 5 3HG1 VAL 5 -8.907 -2.580 2.192
31 HG21 VAL 5 1HG2 VAL 5 -11.459 -0.892 1.377
32 HG22 VAL 5 2HG2 VAL 5 -10.887 -2.540 1.636
33 HG23 VAL 5 3HG2 VAL 5 -11.419 -2.033 0.034
34 H PHE 6 HN PHE 6 -9.089 1.336 -1.273
35 HA PHE 6 HA PHE 6 -6.598 0.858 -2.204
36 HB2 PHE 6 HB2 PHE 6 -7.041 2.499 -3.713
37 HB3 PHE 6 HB1 PHE 6 -8.626 2.496 -2.945
38 HD1 PHE 6 HD1 PHE 6 -6.020 4.530 -4.010
39 HD2 PHE 6 HD2 PHE 6 -8.741 4.047 -0.774
40 HE1 PHE 6 HE1 PHE 6 -5.728 6.901 -3.415
41 HE2 PHE 6 HE2 PHE 6 -8.456 6.416 -0.175
42 HZ PHE 6 HZ PHE 6 -6.948 7.846 -1.496
43 H GLY 7 HN GLY 7 -7.439 2.796 0.522
44 HA2 GLY 7 HA2 GLY 7 -5.067 4.341 0.738
45 HA3 GLY 7 HA1 GLY 7 -6.176 3.967 2.053
46 H ARG 8 HN ARG 8 -5.992 1.171 1.976
47 HA ARG 8 HA ARG 8 -3.528 0.796 3.407
48 HB2 ARG 8 HB2 ARG 8 -5.945 -0.875 2.838
49 HB3 ARG 8 HB1 ARG 8 -4.476 -1.661 3.398
50 HG2 ARG 8 HG2 ARG 8 -5.242 -1.250 5.447
51 HG3 ARG 8 HG1 ARG 8 -4.734 0.416 5.161
52 HD2 ARG 8 HD2 ARG 8 -7.134 0.508 3.999
53 HD3 ARG 8 HD1 ARG 8 -7.448 -0.776 5.166
54 HE ARG 8 HE ARG 8 -6.196 1.544 6.308
55 HH11 ARG 8 1HH1 ARG 8 -9.236 0.080 5.420
56 HH12 ARG 8 2HH1 ARG 8 -10.157 1.001 6.560
57 HH21 ARG 8 1HH2 ARG 8 -7.403 2.757 7.809
58 HH22 ARG 8 2HH2 ARG 8 -9.116 2.523 7.918
59 H LEU 9 HN LEU 9 -4.968 -0.470 0.407
60 HA LEU 9 HA LEU 9 -2.919 -2.208 -0.323
61 HB2 LEU 9 HB2 LEU 9 -5.012 -0.701 -1.815
62 HB3 LEU 9 HB1 LEU 9 -3.730 -1.465 -2.736
63 HG LEU 9 HG LEU 9 -4.479 -3.531 -1.150
64 HD11 LEU 9 1HD1 LEU 9 -6.881 -1.771 -1.531
65 HD12 LEU 9 2HD1 LEU 9 -6.294 -2.530 -0.052
66 HD13 LEU 9 3HD1 LEU 9 -7.018 -3.517 -1.321
67 HD21 LEU 9 1HD2 LEU 9 -4.288 -3.201 -3.726
68 HD22 LEU 9 2HD2 LEU 9 -6.037 -2.996 -3.641
69 HD23 LEU 9 3HD2 LEU 9 -5.297 -4.495 -3.080
70 H ALA 10 HN ALA 10 -3.404 1.109 -1.540
71 HA ALA 10 HA ALA 10 -1.148 1.479 -3.016
72 HB1 ALA 10 HB1 ALA 10 -2.075 3.644 -1.169
73 HB2 ALA 10 HB2 ALA 10 -3.073 3.099 -2.517
74 HB3 ALA 10 HB3 ALA 10 -1.472 3.772 -2.821
75 H ARG 11 HN ARG 11 -1.286 1.104 0.405
76 HA ARG 11 HA ARG 11 1.348 2.194 0.848
77 HB2 ARG 11 HB2 ARG 11 -0.142 2.686 2.594
78 HB3 ARG 11 HB1 ARG 11 -0.808 1.062 2.609
79 HG2 ARG 11 HG2 ARG 11 1.976 0.928 3.229
80 HG3 ARG 11 HG1 ARG 11 1.207 2.143 4.249
81 HD2 ARG 11 HD2 ARG 11 0.701 0.363 5.535
82 HD3 ARG 11 HD1 ARG 11 -0.630 0.187 4.392
83 HE ARG 11 HE ARG 11 1.337 -1.256 3.246
84 HH11 ARG 11 1HH1 ARG 11 -0.018 -1.245 6.462
85 HH12 ARG 11 2HH1 ARG 11 0.284 -2.928 6.730
86 HH21 ARG 11 1HH2 ARG 11 1.735 -3.471 3.597
87 HH22 ARG 11 2HH2 ARG 11 1.279 -4.192 5.104
88 H ILE 12 HN ILE 12 -0.282 -0.989 1.007
89 HA ILE 12 HA ILE 12 1.955 -2.445 1.836
90 HB ILE 12 HB ILE 12 0.929 -4.435 1.039
91 HG12 ILE 12 2HG1 ILE 12 -1.496 -3.546 -0.152
92 HG13 ILE 12 1HG1 ILE 12 -0.173 -2.753 -0.992
93 HG21 ILE 12 1HG2 ILE 12 -1.582 -3.738 1.828
94 HG22 ILE 12 2HG2 ILE 12 -0.616 -2.416 2.486
95 HG23 ILE 12 3HG2 ILE 12 -0.238 -4.084 2.916
96 HD11 ILE 12 1HD1 ILE 12 0.155 -4.594 -2.158
97 HD12 ILE 12 2HD1 ILE 12 -1.107 -5.420 -1.244
98 HD13 ILE 12 3HD1 ILE 12 0.560 -5.450 -0.670
99 H LEU 13 HN LEU 13 1.009 -1.389 -1.376
100 HA LEU 13 HA LEU 13 2.919 -2.911 -2.802
101 HB2 LEU 13 HB2 LEU 13 2.755 -0.692 -4.344
102 HB3 LEU 13 HB1 LEU 13 1.613 -2.018 -4.406
103 HG LEU 13 HG LEU 13 0.932 0.035 -2.425
104 HD11 LEU 13 1HD1 LEU 13 0.304 0.903 -5.167
105 HD12 LEU 13 2HD1 LEU 13 1.983 1.105 -4.669
106 HD13 LEU 13 3HD1 LEU 13 0.689 1.853 -3.733
107 HD21 LEU 13 1HD2 LEU 13 -1.279 -0.259 -3.465
108 HD22 LEU 13 2HD2 LEU 13 -0.556 -1.805 -3.026
109 HD23 LEU 13 3HD2 LEU 13 -0.553 -1.276 -4.707
110 H GLY 14 HN GLY 14 2.993 0.125 -1.065
111 HA2 GLY 14 HA2 GLY 14 5.641 0.861 -1.891
112 HA3 GLY 14 HA1 GLY 14 4.763 1.509 -0.509
113 H ARG 15 HN ARG 15 4.361 -1.459 0.237
114 HA ARG 15 HA ARG 15 6.847 -1.712 1.779
115 HB2 ARG 15 HB2 ARG 15 4.045 -2.709 2.178
116 HB3 ARG 15 HB1 ARG 15 5.388 -3.487 3.005
117 HG2 ARG 15 HG2 ARG 15 4.550 -1.917 4.526
118 HG3 ARG 15 HG1 ARG 15 6.007 -1.179 3.857
119 HD2 ARG 15 HD2 ARG 15 4.511 -0.003 2.204
120 HD3 ARG 15 HD1 ARG 15 3.143 -0.577 3.153
121 HE ARG 15 HE ARG 15 4.852 1.612 3.770
122 HH11 ARG 15 1HH1 ARG 15 2.992 -0.948 5.240
123 HH12 ARG 15 2HH1 ARG 15 2.757 -0.094 6.727
124 HH21 ARG 15 1HH2 ARG 15 4.544 2.738 5.723
125 HH22 ARG 15 2HH2 ARG 15 3.638 2.001 7.001
126 H VAL 16 HN VAL 16 6.589 -2.444 -1.033
127 HA VAL 16 HA VAL 16 7.031 -5.353 -0.864
128 HB VAL 16 HB VAL 16 5.156 -4.351 -2.438
129 HG11 VAL 16 1HG1 VAL 16 5.920 -3.951 -4.718
130 HG12 VAL 16 2HG1 VAL 16 7.596 -4.076 -4.188
131 HG13 VAL 16 3HG1 VAL 16 6.585 -2.754 -3.610
132 HG21 VAL 16 1HG2 VAL 16 7.095 -6.439 -3.417
133 HG22 VAL 16 2HG2 VAL 16 5.413 -6.253 -3.915
134 HG23 VAL 16 3HG2 VAL 16 5.796 -6.710 -2.255
135 H ILE 17 HN ILE 17 7.957 -2.345 -2.387
136 HA ILE 17 HA ILE 17 10.720 -2.994 -1.975
137 HB ILE 17 HB ILE 17 9.709 -2.396 -4.770
138 HG12 ILE 17 2HG1 ILE 17 9.435 -4.759 -4.089
139 HG13 ILE 17 1HG1 ILE 17 10.628 -4.576 -5.370
140 HG21 ILE 17 1HG2 ILE 17 11.689 -1.312 -4.874
141 HG22 ILE 17 2HG2 ILE 17 12.321 -2.944 -5.093
142 HG23 ILE 17 3HG2 ILE 17 12.364 -2.188 -3.500
143 HD11 ILE 17 1HD1 ILE 17 10.943 -5.929 -2.976
144 HD12 ILE 17 2HD1 ILE 17 11.858 -4.436 -2.767
145 HD13 ILE 17 3HD1 ILE 17 12.208 -5.502 -4.128
146 HA PRO 18 HA PRO 18 9.650 1.338 -1.371
147 HB2 PRO 18 HB2 PRO 18 10.400 1.127 1.361
148 HB3 PRO 18 HB1 PRO 18 8.757 1.186 0.721
149 HG2 PRO 18 HG2 PRO 18 9.902 -1.005 1.984
150 HG3 PRO 18 HG1 PRO 18 8.493 -1.077 0.913
151 HD2 PRO 18 HD2 PRO 18 11.344 -1.512 0.269
152 HD3 PRO 18 HD1 PRO 18 9.974 -2.499 -0.223
153 H LYS 19 HN LYS 19 11.110 2.899 -0.063
154 HA LYS 19 HA LYS 19 13.681 2.867 -1.249
155 HB2 LYS 19 HB2 LYS 19 14.060 4.971 -0.142
156 HB3 LYS 19 HB1 LYS 19 12.412 4.947 -0.752
157 HG2 LYS 19 HG2 LYS 19 11.651 5.424 1.266
158 HG3 LYS 19 HG1 LYS 19 12.364 3.938 1.896
159 HD2 LYS 19 HD2 LYS 19 14.482 5.768 1.587
160 HD3 LYS 19 HD1 LYS 19 13.158 6.663 2.332
161 HE2 LYS 19 HE2 LYS 19 13.436 5.620 4.284
162 HE3 LYS 19 HE1 LYS 19 13.489 4.036 3.513
163 HZ1 LYS 19 HZ1 LYS 19 15.826 4.440 2.975
164 HZ2 LYS 19 HZ2 LYS 19 15.554 4.489 4.644
165 HZ3 LYS 19 HZ3 LYS 19 15.763 5.928 3.779
166 H VAL 20 HN VAL 20 12.435 1.906 1.857
167 HA VAL 20 HA VAL 20 13.380 0.886 3.659
168 HB VAL 20 HB VAL 20 15.693 0.222 1.841
169 HG11 VAL 20 1HG1 VAL 20 16.235 -0.399 4.033
170 HG12 VAL 20 2HG1 VAL 20 15.629 -1.881 3.293
171 HG13 VAL 20 3HG1 VAL 20 14.595 -0.949 4.377
172 HG21 VAL 20 1HG2 VAL 20 14.118 -0.712 0.526
173 HG22 VAL 20 2HG2 VAL 20 12.900 -0.705 1.802
174 HG23 VAL 20 3HG2 VAL 20 14.120 -1.977 1.755
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -14.262 -3.521 1.824
2 H2 GLY 1 HT2 GLY 1 -12.891 -3.411 0.841
3 H3 GLY 1 HT3 GLY 1 -14.394 -3.775 0.157
4 HA2 GLY 1 HA1 GLY 1 -15.087 -1.505 1.203
5 HA3 GLY 1 HA2 GLY 1 -13.359 -1.204 1.122
6 H LEU 2 HN LEU 2 -12.455 -2.057 -1.154
7 HA LEU 2 HA LEU 2 -12.394 -1.799 -3.421
8 HB2 LEU 2 HB2 LEU 2 -15.144 -2.339 -2.894
9 HB3 LEU 2 HB1 LEU 2 -15.067 -1.056 -4.085
10 HG LEU 2 HG LEU 2 -15.207 -3.134 -5.252
11 HD11 LEU 2 1HD1 LEU 2 -13.416 -2.921 -6.711
12 HD12 LEU 2 2HD1 LEU 2 -12.292 -2.482 -5.425
13 HD13 LEU 2 3HD1 LEU 2 -13.512 -1.327 -5.962
14 HD21 LEU 2 1HD2 LEU 2 -14.035 -4.276 -3.116
15 HD22 LEU 2 2HD2 LEU 2 -12.670 -4.234 -4.232
16 HD23 LEU 2 3HD2 LEU 2 -14.162 -5.053 -4.695
17 H GLY 3 HN GLY 3 -11.174 0.088 -3.039
18 HA2 GLY 3 HA2 GLY 3 -10.880 2.262 -3.986
19 HA3 GLY 3 HA1 GLY 3 -12.605 2.543 -3.791
20 H SER 4 HN SER 4 -12.718 1.534 -1.088
21 HA SER 4 HA SER 4 -11.817 3.920 0.288
22 HB2 SER 4 HB2 SER 4 -13.218 1.508 1.468
23 HB3 SER 4 HB1 SER 4 -13.107 3.125 2.163
24 HG SER 4 HG SER 4 -14.361 2.583 -0.320
25 H VAL 5 HN VAL 5 -11.092 0.535 0.072
26 HA VAL 5 HA VAL 5 -9.182 0.484 2.227
27 HB VAL 5 HB VAL 5 -9.406 -1.481 -0.004
28 HG11 VAL 5 1HG1 VAL 5 -8.114 -1.397 2.627
29 HG12 VAL 5 2HG1 VAL 5 -7.696 -2.327 1.188
30 HG13 VAL 5 3HG1 VAL 5 -8.960 -2.903 2.274
31 HG21 VAL 5 1HG2 VAL 5 -11.510 -0.779 1.740
32 HG22 VAL 5 2HG2 VAL 5 -10.910 -2.349 2.272
33 HG23 VAL 5 3HG2 VAL 5 -11.446 -2.128 0.606
34 H PHE 6 HN PHE 6 -9.215 1.124 -1.174
35 HA PHE 6 HA PHE 6 -6.754 0.527 -2.117
36 HB2 PHE 6 HB2 PHE 6 -7.253 1.947 -3.809
37 HB3 PHE 6 HB1 PHE 6 -8.798 2.105 -2.982
38 HD1 PHE 6 HD1 PHE 6 -8.659 3.922 -0.968
39 HD2 PHE 6 HD2 PHE 6 -6.292 3.904 -4.504
40 HE1 PHE 6 HE1 PHE 6 -8.280 6.339 -0.720
41 HE2 PHE 6 HE2 PHE 6 -5.908 6.322 -4.264
42 HZ PHE 6 HZ PHE 6 -6.902 7.543 -2.369
43 H GLY 7 HN GLY 7 -7.505 2.782 0.380
44 HA2 GLY 7 HA2 GLY 7 -5.140 4.341 0.341
45 HA3 GLY 7 HA1 GLY 7 -6.186 4.097 1.735
46 H ARG 8 HN ARG 8 -5.987 1.323 1.960
47 HA ARG 8 HA ARG 8 -3.461 1.098 3.304
48 HB2 ARG 8 HB2 ARG 8 -5.870 -0.652 2.980
49 HB3 ARG 8 HB1 ARG 8 -4.369 -1.356 3.567
50 HG2 ARG 8 HG2 ARG 8 -5.048 -0.749 5.593
51 HG3 ARG 8 HG1 ARG 8 -4.636 0.899 5.116
52 HD2 ARG 8 HD2 ARG 8 -7.259 0.097 4.163
53 HD3 ARG 8 HD1 ARG 8 -7.124 -0.016 5.917
54 HE ARG 8 HE ARG 8 -7.119 2.383 4.318
55 HH11 ARG 8 1HH1 ARG 8 -6.246 0.966 7.386
56 HH12 ARG 8 2HH1 ARG 8 -6.284 2.475 8.234
57 HH21 ARG 8 1HH2 ARG 8 -7.171 4.368 5.435
58 HH22 ARG 8 2HH2 ARG 8 -6.810 4.404 7.129
59 H LEU 9 HN LEU 9 -4.998 -0.414 0.478
60 HA LEU 9 HA LEU 9 -2.986 -2.214 -0.186
61 HB2 LEU 9 HB2 LEU 9 -5.191 -0.881 -1.619
62 HB3 LEU 9 HB1 LEU 9 -3.892 -1.477 -2.636
63 HG LEU 9 HG LEU 9 -4.311 -3.662 -1.108
64 HD11 LEU 9 1HD1 LEU 9 -7.126 -2.934 -1.581
65 HD12 LEU 9 2HD1 LEU 9 -6.338 -2.134 -0.221
66 HD13 LEU 9 3HD1 LEU 9 -6.398 -3.895 -0.294
67 HD21 LEU 9 1HD2 LEU 9 -4.492 -3.066 -3.712
68 HD22 LEU 9 2HD2 LEU 9 -6.196 -3.358 -3.363
69 HD23 LEU 9 3HD2 LEU 9 -5.002 -4.615 -3.041
70 H ALA 10 HN ALA 10 -3.438 1.089 -1.443
71 HA ALA 10 HA ALA 10 -1.255 1.331 -3.077
72 HB1 ALA 10 HB1 ALA 10 -2.563 3.369 -1.300
73 HB2 ALA 10 HB2 ALA 10 -2.823 3.089 -3.022
74 HB3 ALA 10 HB3 ALA 10 -1.300 3.778 -2.461
75 H ARG 11 HN ARG 11 -1.231 1.059 0.355
76 HA ARG 11 HA ARG 11 1.438 2.120 0.643
77 HB2 ARG 11 HB2 ARG 11 0.020 2.679 2.438
78 HB3 ARG 11 HB1 ARG 11 -0.628 1.052 2.548
79 HG2 ARG 11 HG2 ARG 11 2.145 0.861 3.026
80 HG3 ARG 11 HG1 ARG 11 1.547 2.226 3.966
81 HD2 ARG 11 HD2 ARG 11 0.853 0.750 5.480
82 HD3 ARG 11 HD1 ARG 11 -0.374 0.252 4.317
83 HE ARG 11 HE ARG 11 1.713 -1.235 3.564
84 HH11 ARG 11 1HH1 ARG 11 0.324 -0.654 6.714
85 HH12 ARG 11 2HH1 ARG 11 0.792 -2.198 7.341
86 HH21 ARG 11 1HH2 ARG 11 2.325 -3.267 4.389
87 HH22 ARG 11 2HH2 ARG 11 1.926 -3.681 6.023
88 H ILE 12 HN ILE 12 -0.220 -1.039 0.942
89 HA ILE 12 HA ILE 12 1.975 -2.528 1.764
90 HB ILE 12 HB ILE 12 0.955 -4.503 0.850
91 HG12 ILE 12 2HG1 ILE 12 -1.471 -3.371 -0.239
92 HG13 ILE 12 1HG1 ILE 12 -0.069 -2.790 -1.124
93 HG21 ILE 12 1HG2 ILE 12 -1.508 -3.909 1.759
94 HG22 ILE 12 2HG2 ILE 12 -0.600 -2.538 2.396
95 HG23 ILE 12 3HG2 ILE 12 -0.116 -4.183 2.806
96 HD11 ILE 12 1HD1 ILE 12 0.216 -4.740 -2.135
97 HD12 ILE 12 2HD1 ILE 12 -1.382 -5.168 -1.525
98 HD13 ILE 12 3HD1 ILE 12 0.061 -5.636 -0.625
99 H LEU 13 HN LEU 13 1.126 -1.412 -1.447
100 HA LEU 13 HA LEU 13 3.060 -2.939 -2.850
101 HB2 LEU 13 HB2 LEU 13 2.930 -0.685 -4.358
102 HB3 LEU 13 HB1 LEU 13 1.808 -2.023 -4.485
103 HG LEU 13 HG LEU 13 1.062 0.008 -2.494
104 HD11 LEU 13 1HD1 LEU 13 0.096 1.277 -4.653
105 HD12 LEU 13 2HD1 LEU 13 1.644 0.728 -5.295
106 HD13 LEU 13 3HD1 LEU 13 1.596 1.734 -3.847
107 HD21 LEU 13 1HD2 LEU 13 -1.124 -0.415 -3.372
108 HD22 LEU 13 2HD2 LEU 13 -0.300 -1.965 -3.233
109 HD23 LEU 13 3HD2 LEU 13 -0.457 -1.189 -4.808
110 H GLY 14 HN GLY 14 3.070 0.084 -1.089
111 HA2 GLY 14 HA2 GLY 14 5.730 0.847 -1.831
112 HA3 GLY 14 HA1 GLY 14 4.816 1.460 -0.455
113 H ARG 15 HN ARG 15 4.418 -1.525 0.230
114 HA ARG 15 HA ARG 15 6.880 -1.792 1.812
115 HB2 ARG 15 HB2 ARG 15 4.082 -2.837 2.130
116 HB3 ARG 15 HB1 ARG 15 5.420 -3.610 2.968
117 HG2 ARG 15 HG2 ARG 15 4.401 -2.054 4.457
118 HG3 ARG 15 HG1 ARG 15 5.976 -1.411 3.986
119 HD2 ARG 15 HD2 ARG 15 4.913 0.056 2.366
120 HD3 ARG 15 HD1 ARG 15 3.336 -0.620 2.766
121 HE ARG 15 HE ARG 15 4.084 0.276 5.143
122 HH11 ARG 15 1HH1 ARG 15 4.305 1.822 2.017
123 HH12 ARG 15 2HH1 ARG 15 4.190 3.423 2.665
124 HH21 ARG 15 1HH2 ARG 15 3.925 2.383 5.988
125 HH22 ARG 15 2HH2 ARG 15 3.974 3.742 4.915
126 H VAL 16 HN VAL 16 6.672 -2.471 -1.029
127 HA VAL 16 HA VAL 16 7.152 -5.377 -0.901
128 HB VAL 16 HB VAL 16 5.285 -4.358 -2.492
129 HG11 VAL 16 1HG1 VAL 16 6.095 -3.972 -4.766
130 HG12 VAL 16 2HG1 VAL 16 7.759 -4.082 -4.196
131 HG13 VAL 16 3HG1 VAL 16 6.725 -2.765 -3.647
132 HG21 VAL 16 1HG2 VAL 16 7.244 -6.472 -3.372
133 HG22 VAL 16 2HG2 VAL 16 5.614 -6.253 -4.008
134 HG23 VAL 16 3HG2 VAL 16 5.848 -6.712 -2.321
135 H ILE 17 HN ILE 17 8.045 -2.334 -2.371
136 HA ILE 17 HA ILE 17 10.813 -2.938 -1.934
137 HB ILE 17 HB ILE 17 9.819 -2.325 -4.734
138 HG12 ILE 17 2HG1 ILE 17 9.595 -4.704 -4.096
139 HG13 ILE 17 1HG1 ILE 17 10.800 -4.470 -5.358
140 HG21 ILE 17 1HG2 ILE 17 11.772 -1.196 -4.807
141 HG22 ILE 17 2HG2 ILE 17 12.445 -2.810 -5.038
142 HG23 ILE 17 3HG2 ILE 17 12.455 -2.072 -3.437
143 HD11 ILE 17 1HD1 ILE 17 11.115 -5.867 -2.995
144 HD12 ILE 17 2HD1 ILE 17 11.984 -4.355 -2.729
145 HD13 ILE 17 3HD1 ILE 17 12.389 -5.374 -4.111
146 HA PRO 18 HA PRO 18 9.658 1.368 -1.290
147 HB2 PRO 18 HB2 PRO 18 10.403 1.153 1.441
148 HB3 PRO 18 HB1 PRO 18 8.761 1.172 0.798
149 HG2 PRO 18 HG2 PRO 18 9.974 -0.997 2.046
150 HG3 PRO 18 HG1 PRO 18 8.553 -1.095 0.992
151 HD2 PRO 18 HD2 PRO 18 11.405 -1.473 0.317
152 HD3 PRO 18 HD1 PRO 18 10.045 -2.472 -0.178
153 H LYS 19 HN LYS 19 11.094 2.946 0.022
154 HA LYS 19 HA LYS 19 13.656 2.982 -1.167
155 HB2 LYS 19 HB2 LYS 19 14.035 5.038 0.057
156 HB3 LYS 19 HB1 LYS 19 12.407 5.038 -0.604
157 HG2 LYS 19 HG2 LYS 19 11.499 5.263 1.407
158 HG3 LYS 19 HG1 LYS 19 12.456 3.937 2.066
159 HD2 LYS 19 HD2 LYS 19 14.072 6.297 1.598
160 HD3 LYS 19 HD1 LYS 19 12.712 6.639 2.669
161 HE2 LYS 19 HE2 LYS 19 14.070 5.862 4.279
162 HE3 LYS 19 HE1 LYS 19 13.596 4.275 3.674
163 HZ1 LYS 19 HZ1 LYS 19 15.996 5.785 2.787
164 HZ2 LYS 19 HZ2 LYS 19 15.557 4.227 2.295
165 HZ3 LYS 19 HZ3 LYS 19 16.008 4.512 3.901
166 H VAL 20 HN VAL 20 12.460 1.921 1.928
167 HA VAL 20 HA VAL 20 13.430 0.755 3.623
168 HB VAL 20 HB VAL 20 15.803 0.437 1.781
169 HG11 VAL 20 1HG1 VAL 20 16.525 -0.255 3.873
170 HG12 VAL 20 2HG1 VAL 20 15.935 -1.754 3.154
171 HG13 VAL 20 3HG1 VAL 20 14.940 -0.885 4.323
172 HG21 VAL 20 1HG2 VAL 20 14.743 -1.181 0.631
173 HG22 VAL 20 2HG2 VAL 20 13.282 -0.363 1.184
174 HG23 VAL 20 3HG2 VAL 20 13.885 -1.773 2.054
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -15.853 -1.731 1.613
2 H2 GLY 1 HT2 GLY 1 -14.864 -2.474 2.767
3 H3 GLY 1 HT3 GLY 1 -15.566 -3.397 1.536
4 HA2 GLY 1 HA1 GLY 1 -13.569 -1.243 1.112
5 HA3 GLY 1 HA2 GLY 1 -13.191 -2.959 1.144
6 H LEU 2 HN LEU 2 -13.146 -0.717 -0.956
7 HA LEU 2 HA LEU 2 -13.326 -2.126 -3.262
8 HB2 LEU 2 HB2 LEU 2 -15.961 -1.815 -2.247
9 HB3 LEU 2 HB1 LEU 2 -15.826 -0.751 -3.628
10 HG LEU 2 HG LEU 2 -16.719 -2.956 -4.238
11 HD11 LEU 2 1HD1 LEU 2 -14.679 -3.464 -5.895
12 HD12 LEU 2 2HD1 LEU 2 -14.227 -1.844 -5.363
13 HD13 LEU 2 3HD1 LEU 2 -15.796 -2.117 -6.121
14 HD21 LEU 2 1HD2 LEU 2 -14.192 -3.870 -2.951
15 HD22 LEU 2 2HD2 LEU 2 -14.837 -4.784 -4.314
16 HD23 LEU 2 3HD2 LEU 2 -15.815 -4.555 -2.865
17 H GLY 3 HN GLY 3 -11.597 -0.465 -3.096
18 HA2 GLY 3 HA2 GLY 3 -10.817 1.329 -4.456
19 HA3 GLY 3 HA1 GLY 3 -12.456 1.969 -4.499
20 H SER 4 HN SER 4 -12.771 1.521 -1.593
21 HA SER 4 HA SER 4 -11.624 4.024 -0.695
22 HB2 SER 4 HB2 SER 4 -13.096 2.250 1.191
23 HB3 SER 4 HB1 SER 4 -13.213 3.995 0.966
24 HG SER 4 HG SER 4 -14.420 1.929 -0.523
25 H VAL 5 HN VAL 5 -11.126 0.639 -0.419
26 HA VAL 5 HA VAL 5 -9.454 0.620 1.899
27 HB VAL 5 HB VAL 5 -9.388 -1.352 -0.337
28 HG11 VAL 5 1HG1 VAL 5 -7.744 -1.466 1.569
29 HG12 VAL 5 2HG1 VAL 5 -8.695 -2.927 1.305
30 HG13 VAL 5 3HG1 VAL 5 -9.110 -1.829 2.622
31 HG21 VAL 5 1HG2 VAL 5 -11.631 -0.719 1.400
32 HG22 VAL 5 2HG2 VAL 5 -11.155 -2.414 1.497
33 HG23 VAL 5 3HG2 VAL 5 -11.578 -1.704 -0.061
34 H PHE 6 HN PHE 6 -9.087 1.344 -1.429
35 HA PHE 6 HA PHE 6 -6.557 0.730 -2.144
36 HB2 PHE 6 HB2 PHE 6 -6.852 2.244 -3.806
37 HB3 PHE 6 HB1 PHE 6 -8.480 2.349 -3.144
38 HD1 PHE 6 HD1 PHE 6 -9.018 4.213 -1.546
39 HD2 PHE 6 HD2 PHE 6 -5.414 4.099 -3.806
40 HE1 PHE 6 HE1 PHE 6 -8.710 6.622 -1.165
41 HE2 PHE 6 HE2 PHE 6 -5.098 6.510 -3.428
42 HZ PHE 6 HZ PHE 6 -6.747 7.774 -2.106
43 H GLY 7 HN GLY 7 -7.503 2.881 0.377
44 HA2 GLY 7 HA2 GLY 7 -5.100 4.372 0.637
45 HA3 GLY 7 HA1 GLY 7 -6.299 4.123 1.900
46 H ARG 8 HN ARG 8 -6.209 1.328 2.034
47 HA ARG 8 HA ARG 8 -3.914 0.962 3.694
48 HB2 ARG 8 HB2 ARG 8 -6.313 -0.614 2.953
49 HB3 ARG 8 HB1 ARG 8 -4.904 -1.541 3.449
50 HG2 ARG 8 HG2 ARG 8 -5.832 -1.273 5.485
51 HG3 ARG 8 HG1 ARG 8 -4.946 0.252 5.428
52 HD2 ARG 8 HD2 ARG 8 -7.581 0.390 4.177
53 HD3 ARG 8 HD1 ARG 8 -7.640 -0.027 5.889
54 HE ARG 8 HE ARG 8 -6.951 2.505 4.755
55 HH11 ARG 8 1HH1 ARG 8 -6.453 0.404 7.497
56 HH12 ARG 8 2HH1 ARG 8 -6.025 1.696 8.567
57 HH21 ARG 8 1HH2 ARG 8 -6.380 4.204 6.162
58 HH22 ARG 8 2HH2 ARG 8 -5.983 3.850 7.811
59 H LEU 9 HN LEU 9 -5.013 -0.599 0.673
60 HA LEU 9 HA LEU 9 -2.747 -2.164 0.238
61 HB2 LEU 9 HB2 LEU 9 -4.628 -0.896 -1.751
62 HB3 LEU 9 HB1 LEU 9 -3.419 -2.093 -2.175
63 HG LEU 9 HG LEU 9 -4.801 -3.333 -0.138
64 HD11 LEU 9 1HD1 LEU 9 -6.697 -1.672 -1.777
65 HD12 LEU 9 2HD1 LEU 9 -6.548 -1.740 -0.021
66 HD13 LEU 9 3HD1 LEU 9 -7.189 -3.124 -0.906
67 HD21 LEU 9 1HD2 LEU 9 -4.051 -3.954 -2.615
68 HD22 LEU 9 2HD2 LEU 9 -5.774 -3.723 -2.910
69 HD23 LEU 9 3HD2 LEU 9 -5.234 -4.907 -1.719
70 H ALA 10 HN ALA 10 -3.347 1.209 -0.426
71 HA ALA 10 HA ALA 10 -1.398 1.891 -2.226
72 HB1 ALA 10 HB1 ALA 10 -2.484 3.374 0.144
73 HB2 ALA 10 HB2 ALA 10 -2.887 3.570 -1.562
74 HB3 ALA 10 HB3 ALA 10 -1.316 4.099 -0.961
75 H ARG 11 HN ARG 11 -0.926 0.768 0.994
76 HA ARG 11 HA ARG 11 1.758 1.796 1.181
77 HB2 ARG 11 HB2 ARG 11 1.759 1.092 3.414
78 HB3 ARG 11 HB1 ARG 11 0.109 1.621 3.133
79 HG2 ARG 11 HG2 ARG 11 -0.292 -0.910 2.599
80 HG3 ARG 11 HG1 ARG 11 1.176 -1.126 3.551
81 HD2 ARG 11 HD2 ARG 11 -1.341 0.278 4.442
82 HD3 ARG 11 HD1 ARG 11 -0.806 -1.322 4.953
83 HE ARG 11 HE ARG 11 1.096 0.775 5.474
84 HH11 ARG 11 1HH1 ARG 11 -1.675 -0.956 6.700
85 HH12 ARG 11 2HH1 ARG 11 -1.329 -0.588 8.356
86 HH21 ARG 11 1HH2 ARG 11 1.550 1.263 7.653
87 HH22 ARG 11 2HH2 ARG 11 0.500 0.672 8.897
88 H ILE 12 HN ILE 12 0.142 -1.369 0.833
89 HA ILE 12 HA ILE 12 2.405 -2.966 1.029
90 HB ILE 12 HB ILE 12 1.274 -4.625 -0.349
91 HG12 ILE 12 2HG1 ILE 12 -1.188 -2.989 -0.584
92 HG13 ILE 12 1HG1 ILE 12 0.118 -2.598 -1.695
93 HG21 ILE 12 1HG2 ILE 12 -0.939 -3.657 1.343
94 HG22 ILE 12 2HG2 ILE 12 0.627 -3.836 2.133
95 HG23 ILE 12 3HG2 ILE 12 -0.118 -5.217 1.329
96 HD11 ILE 12 1HD1 ILE 12 -0.456 -4.292 -2.985
97 HD12 ILE 12 2HD1 ILE 12 -1.787 -4.661 -1.889
98 HD13 ILE 12 3HD1 ILE 12 -0.212 -5.418 -1.650
99 H LEU 13 HN LEU 13 1.263 -1.034 -1.643
100 HA LEU 13 HA LEU 13 3.034 -2.111 -3.595
101 HB2 LEU 13 HB2 LEU 13 2.705 0.450 -4.452
102 HB3 LEU 13 HB1 LEU 13 1.612 -0.867 -4.815
103 HG LEU 13 HG LEU 13 1.050 0.596 -2.314
104 HD11 LEU 13 1HD1 LEU 13 0.228 1.900 -4.873
105 HD12 LEU 13 2HD1 LEU 13 1.788 2.285 -4.147
106 HD13 LEU 13 3HD1 LEU 13 0.300 2.571 -3.244
107 HD21 LEU 13 1HD2 LEU 13 -1.221 0.244 -3.008
108 HD22 LEU 13 2HD2 LEU 13 -0.331 -1.254 -3.268
109 HD23 LEU 13 3HD2 LEU 13 -0.706 -0.204 -4.633
110 H GLY 14 HN GLY 14 3.267 0.174 -1.009
111 HA2 GLY 14 HA2 GLY 14 5.960 0.992 -1.863
112 HA3 GLY 14 HA1 GLY 14 5.030 1.699 -0.546
113 H ARG 15 HN ARG 15 4.397 -1.257 0.182
114 HA ARG 15 HA ARG 15 6.782 -1.619 1.866
115 HB2 ARG 15 HB2 ARG 15 3.912 -2.452 2.126
116 HB3 ARG 15 HB1 ARG 15 5.160 -3.310 3.017
117 HG2 ARG 15 HG2 ARG 15 4.371 -1.710 4.513
118 HG3 ARG 15 HG1 ARG 15 5.869 -1.016 3.887
119 HD2 ARG 15 HD2 ARG 15 4.540 0.290 2.264
120 HD3 ARG 15 HD1 ARG 15 3.068 -0.356 2.987
121 HE ARG 15 HE ARG 15 4.318 0.740 5.101
122 HH11 ARG 15 1HH1 ARG 15 3.572 1.977 1.923
123 HH12 ARG 15 2HH1 ARG 15 3.427 3.616 2.460
124 HH21 ARG 15 1HH2 ARG 15 4.135 2.899 5.803
125 HH22 ARG 15 2HH2 ARG 15 3.749 4.140 4.659
126 H VAL 16 HN VAL 16 6.618 -2.375 -0.957
127 HA VAL 16 HA VAL 16 6.922 -5.301 -0.731
128 HB VAL 16 HB VAL 16 5.141 -4.709 -2.324
129 HG11 VAL 16 1HG1 VAL 16 5.493 -3.404 -4.269
130 HG12 VAL 16 2HG1 VAL 16 7.231 -3.320 -3.981
131 HG13 VAL 16 3HG1 VAL 16 6.118 -2.469 -2.911
132 HG21 VAL 16 1HG2 VAL 16 7.672 -5.838 -3.489
133 HG22 VAL 16 2HG2 VAL 16 6.138 -5.831 -4.359
134 HG23 VAL 16 3HG2 VAL 16 6.284 -6.710 -2.838
135 H ILE 17 HN ILE 17 8.020 -2.371 -2.302
136 HA ILE 17 HA ILE 17 10.744 -3.092 -1.769
137 HB ILE 17 HB ILE 17 9.876 -2.505 -4.614
138 HG12 ILE 17 2HG1 ILE 17 9.394 -4.830 -3.918
139 HG13 ILE 17 1HG1 ILE 17 10.643 -4.751 -5.155
140 HG21 ILE 17 1HG2 ILE 17 11.933 -1.589 -4.670
141 HG22 ILE 17 2HG2 ILE 17 12.459 -3.267 -4.792
142 HG23 ILE 17 3HG2 ILE 17 12.472 -2.450 -3.229
143 HD11 ILE 17 1HD1 ILE 17 12.133 -5.739 -3.839
144 HD12 ILE 17 2HD1 ILE 17 10.776 -6.137 -2.786
145 HD13 ILE 17 3HD1 ILE 17 11.742 -4.695 -2.472
146 HA PRO 18 HA PRO 18 9.795 1.291 -1.352
147 HB2 PRO 18 HB2 PRO 18 10.517 1.180 1.393
148 HB3 PRO 18 HB1 PRO 18 8.881 1.250 0.736
149 HG2 PRO 18 HG2 PRO 18 9.969 -0.913 2.101
150 HG3 PRO 18 HG1 PRO 18 8.558 -0.993 1.033
151 HD2 PRO 18 HD2 PRO 18 11.394 -1.544 0.415
152 HD3 PRO 18 HD1 PRO 18 9.992 -2.500 -0.046
153 H LYS 19 HN LYS 19 11.289 2.864 -0.102
154 HA LYS 19 HA LYS 19 13.846 2.748 -1.285
155 HB2 LYS 19 HB2 LYS 19 14.310 4.833 -0.137
156 HB3 LYS 19 HB1 LYS 19 12.684 4.871 -0.803
157 HG2 LYS 19 HG2 LYS 19 11.798 5.241 1.193
158 HG3 LYS 19 HG1 LYS 19 12.652 3.866 1.895
159 HD2 LYS 19 HD2 LYS 19 14.369 6.172 1.359
160 HD3 LYS 19 HD1 LYS 19 13.084 6.500 2.523
161 HE2 LYS 19 HE2 LYS 19 14.518 5.636 4.018
162 HE3 LYS 19 HE1 LYS 19 13.975 4.083 3.383
163 HZ1 LYS 19 HZ1 LYS 19 15.849 4.003 1.929
164 HZ2 LYS 19 HZ2 LYS 19 16.419 4.325 3.488
165 HZ3 LYS 19 HZ3 LYS 19 16.326 5.572 2.348
166 H VAL 20 HN VAL 20 12.622 1.780 1.819
167 HA VAL 20 HA VAL 20 13.570 0.704 3.586
168 HB VAL 20 HB VAL 20 15.895 0.121 1.752
169 HG11 VAL 20 1HG1 VAL 20 16.603 -0.709 3.740
170 HG12 VAL 20 2HG1 VAL 20 15.608 -2.077 3.241
171 HG13 VAL 20 3HG1 VAL 20 14.967 -0.888 4.375
172 HG21 VAL 20 1HG2 VAL 20 14.325 -0.811 0.428
173 HG22 VAL 20 2HG2 VAL 20 13.121 -0.868 1.716
174 HG23 VAL 20 3HG2 VAL 20 14.373 -2.106 1.624
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -15.329 -1.186 1.633
2 H2 GLY 1 HT2 GLY 1 -15.042 -2.825 1.934
3 H3 GLY 1 HT3 GLY 1 -15.931 -2.359 0.573
4 HA2 GLY 1 HA1 GLY 1 -13.164 -1.417 0.924
5 HA3 GLY 1 HA2 GLY 1 -13.470 -3.026 0.288
6 H LEU 2 HN LEU 2 -12.374 -2.223 -1.639
7 HA LEU 2 HA LEU 2 -12.411 -1.559 -3.814
8 HB2 LEU 2 HB2 LEU 2 -15.380 -1.287 -3.321
9 HB3 LEU 2 HB1 LEU 2 -14.615 -1.165 -4.893
10 HG LEU 2 HG LEU 2 -15.608 -3.351 -4.637
11 HD11 LEU 2 1HD1 LEU 2 -13.868 -4.558 -5.489
12 HD12 LEU 2 2HD1 LEU 2 -12.719 -3.957 -4.293
13 HD13 LEU 2 3HD1 LEU 2 -13.210 -2.928 -5.639
14 HD21 LEU 2 1HD2 LEU 2 -15.405 -3.300 -2.099
15 HD22 LEU 2 2HD2 LEU 2 -13.760 -3.893 -2.333
16 HD23 LEU 2 3HD2 LEU 2 -15.131 -4.850 -2.895
17 H GLY 3 HN GLY 3 -11.175 0.270 -3.191
18 HA2 GLY 3 HA2 GLY 3 -10.924 2.557 -3.826
19 HA3 GLY 3 HA1 GLY 3 -12.646 2.788 -3.551
20 H SER 4 HN SER 4 -12.655 1.394 -1.010
21 HA SER 4 HA SER 4 -11.760 3.586 0.663
22 HB2 SER 4 HB2 SER 4 -12.999 1.018 1.647
23 HB3 SER 4 HB1 SER 4 -13.053 2.616 2.389
24 HG SER 4 HG SER 4 -14.330 1.831 -0.022
25 H VAL 5 HN VAL 5 -11.009 0.257 0.003
26 HA VAL 5 HA VAL 5 -9.047 -0.068 2.070
27 HB VAL 5 HB VAL 5 -9.248 -1.656 -0.448
28 HG11 VAL 5 1HG1 VAL 5 -7.354 -1.989 1.191
29 HG12 VAL 5 2HG1 VAL 5 -8.286 -3.433 0.795
30 HG13 VAL 5 3HG1 VAL 5 -8.558 -2.599 2.325
31 HG21 VAL 5 1HG2 VAL 5 -11.415 -1.988 0.097
32 HG22 VAL 5 2HG2 VAL 5 -11.176 -1.505 1.776
33 HG23 VAL 5 3HG2 VAL 5 -10.734 -3.131 1.254
34 H PHE 6 HN PHE 6 -9.118 0.914 -1.276
35 HA PHE 6 HA PHE 6 -6.598 0.580 -2.197
36 HB2 PHE 6 HB2 PHE 6 -7.253 1.987 -3.827
37 HB3 PHE 6 HB1 PHE 6 -8.775 2.089 -2.950
38 HD1 PHE 6 HD1 PHE 6 -6.383 3.980 -4.522
39 HD2 PHE 6 HD2 PHE 6 -8.594 3.865 -0.889
40 HE1 PHE 6 HE1 PHE 6 -6.053 6.403 -4.249
41 HE2 PHE 6 HE2 PHE 6 -8.270 6.287 -0.610
42 HZ PHE 6 HZ PHE 6 -6.998 7.560 -2.291
43 H GLY 7 HN GLY 7 -7.573 2.603 0.421
44 HA2 GLY 7 HA2 GLY 7 -5.317 4.322 0.527
45 HA3 GLY 7 HA1 GLY 7 -6.387 3.945 1.873
46 H ARG 8 HN ARG 8 -6.002 1.156 1.907
47 HA ARG 8 HA ARG 8 -3.499 1.026 3.327
48 HB2 ARG 8 HB2 ARG 8 -5.167 -1.392 2.747
49 HB3 ARG 8 HB1 ARG 8 -4.235 -1.005 4.185
50 HG2 ARG 8 HG2 ARG 8 -6.887 0.152 3.362
51 HG3 ARG 8 HG1 ARG 8 -6.549 -0.898 4.739
52 HD2 ARG 8 HD2 ARG 8 -5.935 0.821 6.016
53 HD3 ARG 8 HD1 ARG 8 -4.896 1.484 4.755
54 HE ARG 8 HE ARG 8 -7.305 2.190 3.868
55 HH11 ARG 8 1HH1 ARG 8 -5.879 2.456 7.044
56 HH12 ARG 8 2HH1 ARG 8 -6.800 3.857 7.476
57 HH21 ARG 8 1HH2 ARG 8 -8.517 4.033 4.438
58 HH22 ARG 8 2HH2 ARG 8 -8.296 4.752 5.998
59 H LEU 9 HN LEU 9 -4.927 -0.476 0.450
60 HA LEU 9 HA LEU 9 -2.864 -2.166 -0.279
61 HB2 LEU 9 HB2 LEU 9 -4.868 -0.624 -1.893
62 HB3 LEU 9 HB1 LEU 9 -3.679 -1.646 -2.676
63 HG LEU 9 HG LEU 9 -4.935 -3.159 -0.602
64 HD11 LEU 9 1HD1 LEU 9 -6.874 -1.902 -2.538
65 HD12 LEU 9 2HD1 LEU 9 -6.779 -1.547 -0.813
66 HD13 LEU 9 3HD1 LEU 9 -7.234 -3.161 -1.357
67 HD21 LEU 9 1HD2 LEU 9 -3.903 -3.622 -3.046
68 HD22 LEU 9 2HD2 LEU 9 -5.626 -3.666 -3.422
69 HD23 LEU 9 3HD2 LEU 9 -4.962 -4.750 -2.199
70 H ALA 10 HN ALA 10 -3.360 1.135 -1.539
71 HA ALA 10 HA ALA 10 -1.144 1.484 -3.069
72 HB1 ALA 10 HB1 ALA 10 -2.342 3.511 -1.191
73 HB2 ALA 10 HB2 ALA 10 -2.852 3.181 -2.847
74 HB3 ALA 10 HB3 ALA 10 -1.262 3.878 -2.536
75 H ARG 11 HN ARG 11 -1.197 1.187 0.375
76 HA ARG 11 HA ARG 11 1.480 2.203 0.704
77 HB2 ARG 11 HB2 ARG 11 0.138 2.820 2.489
78 HB3 ARG 11 HB1 ARG 11 -0.664 1.259 2.548
79 HG2 ARG 11 HG2 ARG 11 2.222 1.221 3.115
80 HG3 ARG 11 HG1 ARG 11 1.217 2.062 4.298
81 HD2 ARG 11 HD2 ARG 11 0.911 -0.780 3.345
82 HD3 ARG 11 HD1 ARG 11 1.426 -0.247 4.948
83 HE ARG 11 HE ARG 11 -1.151 0.748 4.195
84 HH11 ARG 11 1HH1 ARG 11 0.546 -1.972 5.573
85 HH12 ARG 11 2HH1 ARG 11 -0.831 -2.547 6.452
86 HH21 ARG 11 1HH2 ARG 11 -2.964 -0.007 5.351
87 HH22 ARG 11 2HH2 ARG 11 -2.824 -1.432 6.325
88 H ILE 12 HN ILE 12 -0.228 -0.923 1.021
89 HA ILE 12 HA ILE 12 1.971 -2.412 1.864
90 HB ILE 12 HB ILE 12 0.895 -4.393 1.142
91 HG12 ILE 12 2HG1 ILE 12 -1.493 -3.554 -0.118
92 HG13 ILE 12 1HG1 ILE 12 -0.178 -2.738 -0.949
93 HG21 ILE 12 1HG2 ILE 12 -1.595 -3.679 1.887
94 HG22 ILE 12 2HG2 ILE 12 -0.684 -2.272 2.435
95 HG23 ILE 12 3HG2 ILE 12 -0.252 -3.882 3.012
96 HD11 ILE 12 1HD1 ILE 12 0.157 -4.586 -2.108
97 HD12 ILE 12 2HD1 ILE 12 -1.034 -5.454 -1.139
98 HD13 ILE 12 3HD1 ILE 12 0.650 -5.389 -0.618
99 H LEU 13 HN LEU 13 1.052 -1.401 -1.366
100 HA LEU 13 HA LEU 13 2.935 -3.017 -2.742
101 HB2 LEU 13 HB2 LEU 13 2.781 -0.900 -4.396
102 HB3 LEU 13 HB1 LEU 13 1.592 -2.185 -4.355
103 HG LEU 13 HG LEU 13 1.008 -0.018 -2.480
104 HD11 LEU 13 1HD1 LEU 13 0.561 0.696 -5.336
105 HD12 LEU 13 2HD1 LEU 13 2.134 1.028 -4.610
106 HD13 LEU 13 3HD1 LEU 13 0.675 1.735 -3.916
107 HD21 LEU 13 1HD2 LEU 13 -0.551 -1.303 -4.726
108 HD22 LEU 13 2HD2 LEU 13 -1.214 -0.269 -3.463
109 HD23 LEU 13 3HD2 LEU 13 -0.538 -1.842 -3.048
110 H GLY 14 HN GLY 14 3.039 0.052 -1.084
111 HA2 GLY 14 HA2 GLY 14 5.694 0.735 -1.961
112 HA3 GLY 14 HA1 GLY 14 4.816 1.465 -0.619
113 H ARG 15 HN ARG 15 4.397 -1.509 0.222
114 HA ARG 15 HA ARG 15 6.847 -1.676 1.835
115 HB2 ARG 15 HB2 ARG 15 4.041 -2.668 2.184
116 HB3 ARG 15 HB1 ARG 15 5.355 -3.473 3.033
117 HG2 ARG 15 HG2 ARG 15 4.519 -1.906 4.550
118 HG3 ARG 15 HG1 ARG 15 5.988 -1.169 3.907
119 HD2 ARG 15 HD2 ARG 15 4.408 -0.071 2.190
120 HD3 ARG 15 HD1 ARG 15 3.126 -0.500 3.319
121 HE ARG 15 HE ARG 15 4.952 1.651 3.568
122 HH11 ARG 15 1HH1 ARG 15 3.275 -0.750 5.471
123 HH12 ARG 15 2HH1 ARG 15 3.292 0.205 6.915
124 HH21 ARG 15 1HH2 ARG 15 4.967 2.907 5.465
125 HH22 ARG 15 2HH2 ARG 15 4.250 2.280 6.912
126 H VAL 16 HN VAL 16 6.666 -2.495 -0.972
127 HA VAL 16 HA VAL 16 7.160 -5.388 -0.698
128 HB VAL 16 HB VAL 16 5.291 -4.517 -2.333
129 HG11 VAL 16 1HG1 VAL 16 6.079 -4.118 -4.611
130 HG12 VAL 16 2HG1 VAL 16 7.747 -4.139 -4.042
131 HG13 VAL 16 3HG1 VAL 16 6.651 -2.868 -3.509
132 HG21 VAL 16 1HG2 VAL 16 7.369 -6.543 -3.143
133 HG22 VAL 16 2HG2 VAL 16 5.757 -6.407 -3.845
134 HG23 VAL 16 3HG2 VAL 16 5.944 -6.831 -2.144
135 H ILE 17 HN ILE 17 8.056 -2.418 -2.308
136 HA ILE 17 HA ILE 17 10.825 -3.001 -1.837
137 HB ILE 17 HB ILE 17 9.831 -2.514 -4.661
138 HG12 ILE 17 2HG1 ILE 17 9.597 -4.859 -3.907
139 HG13 ILE 17 1HG1 ILE 17 10.792 -4.691 -5.188
140 HG21 ILE 17 1HG2 ILE 17 11.788 -1.407 -4.809
141 HG22 ILE 17 2HG2 ILE 17 12.463 -3.031 -4.931
142 HG23 ILE 17 3HG2 ILE 17 12.463 -2.190 -3.381
143 HD11 ILE 17 1HD1 ILE 17 12.379 -5.561 -3.915
144 HD12 ILE 17 2HD1 ILE 17 11.119 -5.964 -2.748
145 HD13 ILE 17 3HD1 ILE 17 12.016 -4.454 -2.591
146 HA PRO 18 HA PRO 18 9.660 1.327 -1.381
147 HB2 PRO 18 HB2 PRO 18 10.378 1.219 1.365
148 HB3 PRO 18 HB1 PRO 18 8.743 1.219 0.701
149 HG2 PRO 18 HG2 PRO 18 9.926 -0.904 2.048
150 HG3 PRO 18 HG1 PRO 18 8.526 -1.040 0.969
151 HD2 PRO 18 HD2 PRO 18 11.392 -1.439 0.363
152 HD3 PRO 18 HD1 PRO 18 10.045 -2.464 -0.112
153 H LYS 19 HN LYS 19 11.064 2.958 -0.105
154 HA LYS 19 HA LYS 19 13.626 3.015 -1.278
155 HB2 LYS 19 HB2 LYS 19 13.960 5.097 -0.093
156 HB3 LYS 19 HB1 LYS 19 12.323 5.047 -0.732
157 HG2 LYS 19 HG2 LYS 19 11.483 5.383 1.285
158 HG3 LYS 19 HG1 LYS 19 12.322 3.963 1.909
159 HD2 LYS 19 HD2 LYS 19 14.188 6.117 1.559
160 HD3 LYS 19 HD1 LYS 19 12.811 6.672 2.511
161 HE2 LYS 19 HE2 LYS 19 13.609 5.622 4.296
162 HE3 LYS 19 HE1 LYS 19 13.547 4.086 3.435
163 HZ1 LYS 19 HZ1 LYS 19 15.748 4.551 2.537
164 HZ2 LYS 19 HZ2 LYS 19 15.773 4.548 4.229
165 HZ3 LYS 19 HZ3 LYS 19 15.806 6.014 3.385
166 H VAL 20 HN VAL 20 12.458 1.937 1.819
167 HA VAL 20 HA VAL 20 13.465 0.914 3.585
168 HB VAL 20 HB VAL 20 15.760 0.363 1.704
169 HG11 VAL 20 1HG1 VAL 20 16.511 -0.411 3.710
170 HG12 VAL 20 2HG1 VAL 20 15.587 -1.823 3.199
171 HG13 VAL 20 3HG1 VAL 20 14.887 -0.677 4.343
172 HG21 VAL 20 1HG2 VAL 20 14.174 -0.605 0.424
173 HG22 VAL 20 2HG2 VAL 20 13.004 -0.677 1.742
174 HG23 VAL 20 3HG2 VAL 20 14.277 -1.892 1.625
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 -16.173 -1.561 -0.447
2 H2 GLY 1 HT2 GLY 1 -15.815 -0.488 0.810
3 H3 GLY 1 HT3 GLY 1 -16.003 -2.137 1.135
4 HA2 GLY 1 HA1 GLY 1 -13.635 -1.017 0.877
5 HA3 GLY 1 HA2 GLY 1 -13.949 -2.687 0.430
6 H LEU 2 HN LEU 2 -12.188 -2.548 -1.054
7 HA LEU 2 HA LEU 2 -11.369 -2.438 -3.176
8 HB2 LEU 2 HB2 LEU 2 -13.855 -1.093 -4.159
9 HB3 LEU 2 HB1 LEU 2 -12.808 -2.225 -4.991
10 HG LEU 2 HG LEU 2 -14.844 -2.854 -2.857
11 HD11 LEU 2 1HD1 LEU 2 -16.083 -3.865 -4.507
12 HD12 LEU 2 2HD1 LEU 2 -14.690 -4.099 -5.563
13 HD13 LEU 2 3HD1 LEU 2 -15.399 -2.494 -5.380
14 HD21 LEU 2 1HD2 LEU 2 -13.082 -4.296 -2.323
15 HD22 LEU 2 2HD2 LEU 2 -12.642 -4.531 -4.015
16 HD23 LEU 2 3HD2 LEU 2 -14.120 -5.253 -3.380
17 H GLY 3 HN GLY 3 -13.472 0.436 -2.935
18 HA2 GLY 3 HA2 GLY 3 -11.251 2.096 -3.845
19 HA3 GLY 3 HA1 GLY 3 -12.925 2.602 -3.675
20 H SER 4 HN SER 4 -12.955 1.340 -0.928
21 HA SER 4 HA SER 4 -12.018 3.688 0.488
22 HB2 SER 4 HB2 SER 4 -13.194 1.241 1.793
23 HB3 SER 4 HB1 SER 4 -13.275 2.921 2.323
24 HG SER 4 HG SER 4 -14.528 3.232 0.293
25 H VAL 5 HN VAL 5 -11.208 0.352 0.048
26 HA VAL 5 HA VAL 5 -9.192 0.239 2.102
27 HB VAL 5 HB VAL 5 -9.466 -1.607 -0.222
28 HG11 VAL 5 1HG1 VAL 5 -8.051 -1.620 2.338
29 HG12 VAL 5 2HG1 VAL 5 -7.709 -2.503 0.851
30 HG13 VAL 5 3HG1 VAL 5 -8.908 -3.121 1.986
31 HG21 VAL 5 1HG2 VAL 5 -11.690 -1.509 0.585
32 HG22 VAL 5 2HG2 VAL 5 -11.157 -1.526 2.265
33 HG23 VAL 5 3HG2 VAL 5 -10.992 -2.975 1.273
34 H PHE 6 HN PHE 6 -9.399 0.996 -1.283
35 HA PHE 6 HA PHE 6 -6.927 0.545 -2.303
36 HB2 PHE 6 HB2 PHE 6 -7.582 1.915 -3.978
37 HB3 PHE 6 HB1 PHE 6 -9.102 1.994 -3.094
38 HD1 PHE 6 HD1 PHE 6 -8.930 3.829 -1.067
39 HD2 PHE 6 HD2 PHE 6 -6.818 3.922 -4.760
40 HE1 PHE 6 HE1 PHE 6 -8.682 6.268 -0.859
41 HE2 PHE 6 HE2 PHE 6 -6.565 6.361 -4.557
42 HZ PHE 6 HZ PHE 6 -7.497 7.537 -2.604
43 H GLY 7 HN GLY 7 -7.765 2.726 0.227
44 HA2 GLY 7 HA2 GLY 7 -5.407 4.352 0.120
45 HA3 GLY 7 HA1 GLY 7 -6.532 4.239 1.467
46 H ARG 8 HN ARG 8 -6.341 1.426 1.832
47 HA ARG 8 HA ARG 8 -3.998 1.323 3.464
48 HB2 ARG 8 HB2 ARG 8 -6.319 -0.444 2.914
49 HB3 ARG 8 HB1 ARG 8 -4.856 -1.227 3.495
50 HG2 ARG 8 HG2 ARG 8 -6.145 -0.773 5.403
51 HG3 ARG 8 HG1 ARG 8 -4.869 0.445 5.390
52 HD2 ARG 8 HD2 ARG 8 -7.252 1.278 3.938
53 HD3 ARG 8 HD1 ARG 8 -7.573 0.923 5.635
54 HE ARG 8 HE ARG 8 -5.379 2.483 5.761
55 HH11 ARG 8 1HH1 ARG 8 -8.446 2.846 4.136
56 HH12 ARG 8 2HH1 ARG 8 -8.436 4.574 4.233
57 HH21 ARG 8 1HH2 ARG 8 -5.366 4.760 5.891
58 HH22 ARG 8 2HH2 ARG 8 -6.688 5.661 5.228
59 H LEU 9 HN LEU 9 -5.084 -0.720 0.726
60 HA LEU 9 HA LEU 9 -2.789 -2.186 0.348
61 HB2 LEU 9 HB2 LEU 9 -4.876 -1.172 -1.538
62 HB3 LEU 9 HB1 LEU 9 -3.470 -1.997 -2.183
63 HG LEU 9 HG LEU 9 -4.488 -3.602 -0.073
64 HD11 LEU 9 1HD1 LEU 9 -6.650 -3.274 -2.083
65 HD12 LEU 9 2HD1 LEU 9 -6.566 -2.122 -0.750
66 HD13 LEU 9 3HD1 LEU 9 -6.728 -3.846 -0.417
67 HD21 LEU 9 1HD2 LEU 9 -3.371 -3.979 -2.494
68 HD22 LEU 9 2HD2 LEU 9 -5.053 -4.354 -2.865
69 HD23 LEU 9 3HD2 LEU 9 -4.211 -5.242 -1.596
70 H ALA 10 HN ALA 10 -3.382 1.140 -0.479
71 HA ALA 10 HA ALA 10 -1.439 1.722 -2.328
72 HB1 ALA 10 HB1 ALA 10 -1.411 3.902 -0.598
73 HB2 ALA 10 HB2 ALA 10 -3.016 3.192 -0.418
74 HB3 ALA 10 HB3 ALA 10 -2.440 3.676 -2.012
75 H ARG 11 HN ARG 11 -0.954 0.792 0.957
76 HA ARG 11 HA ARG 11 1.719 1.852 1.048
77 HB2 ARG 11 HB2 ARG 11 1.602 1.687 3.286
78 HB3 ARG 11 HB1 ARG 11 -0.119 1.550 2.995
79 HG2 ARG 11 HG2 ARG 11 1.340 -1.007 2.975
80 HG3 ARG 11 HG1 ARG 11 1.339 -0.151 4.512
81 HD2 ARG 11 HD2 ARG 11 -0.996 -1.156 2.923
82 HD3 ARG 11 HD1 ARG 11 -0.550 -1.535 4.583
83 HE ARG 11 HE ARG 11 -1.886 0.882 3.637
84 HH11 ARG 11 1HH1 ARG 11 -0.472 -0.879 6.307
85 HH12 ARG 11 2HH1 ARG 11 -1.274 0.067 7.513
86 HH21 ARG 11 1HH2 ARG 11 -2.932 2.125 5.231
87 HH22 ARG 11 2HH2 ARG 11 -2.667 1.770 6.905
88 H ILE 12 HN ILE 12 0.133 -1.335 0.942
89 HA ILE 12 HA ILE 12 2.410 -2.898 1.215
90 HB ILE 12 HB ILE 12 1.284 -4.653 -0.041
91 HG12 ILE 12 2HG1 ILE 12 -1.203 -3.088 -0.369
92 HG13 ILE 12 1HG1 ILE 12 0.095 -2.700 -1.490
93 HG21 ILE 12 1HG2 ILE 12 -0.970 -4.420 1.383
94 HG22 ILE 12 2HG2 ILE 12 0.002 -3.177 2.170
95 HG23 ILE 12 3HG2 ILE 12 0.585 -4.840 2.101
96 HD11 ILE 12 1HD1 ILE 12 -1.750 -4.786 -1.664
97 HD12 ILE 12 2HD1 ILE 12 -0.200 -5.538 -1.288
98 HD13 ILE 12 3HD1 ILE 12 -0.353 -4.491 -2.699
99 H LEU 13 HN LEU 13 1.244 -1.148 -1.573
100 HA LEU 13 HA LEU 13 3.009 -2.347 -3.459
101 HB2 LEU 13 HB2 LEU 13 2.680 0.147 -4.487
102 HB3 LEU 13 HB1 LEU 13 1.577 -1.187 -4.751
103 HG LEU 13 HG LEU 13 1.032 0.434 -2.348
104 HD11 LEU 13 1HD1 LEU 13 -0.243 1.973 -4.153
105 HD12 LEU 13 2HD1 LEU 13 1.238 1.618 -5.041
106 HD13 LEU 13 3HD1 LEU 13 1.323 2.380 -3.453
107 HD21 LEU 13 1HD2 LEU 13 -1.250 0.086 -3.059
108 HD22 LEU 13 2HD2 LEU 13 -0.378 -1.440 -3.168
109 HD23 LEU 13 3HD2 LEU 13 -0.711 -0.509 -4.627
110 H GLY 14 HN GLY 14 3.240 0.103 -1.033
111 HA2 GLY 14 HA2 GLY 14 5.917 0.892 -1.949
112 HA3 GLY 14 HA1 GLY 14 4.995 1.653 -0.658
113 H ARG 15 HN ARG 15 4.403 -1.261 0.239
114 HA ARG 15 HA ARG 15 6.819 -1.510 1.898
115 HB2 ARG 15 HB2 ARG 15 3.962 -2.337 2.264
116 HB3 ARG 15 HB1 ARG 15 5.231 -3.143 3.175
117 HG2 ARG 15 HG2 ARG 15 4.500 -1.466 4.602
118 HG3 ARG 15 HG1 ARG 15 5.957 -0.786 3.874
119 HD2 ARG 15 HD2 ARG 15 4.640 0.511 2.332
120 HD3 ARG 15 HD1 ARG 15 3.162 -0.270 2.883
121 HE ARG 15 HE ARG 15 3.079 1.221 4.600
122 HH11 ARG 15 1HH1 ARG 15 6.362 1.095 3.426
123 HH12 ARG 15 2HH1 ARG 15 6.916 2.359 4.471
124 HH21 ARG 15 1HH2 ARG 15 3.805 2.886 5.972
125 HH22 ARG 15 2HH2 ARG 15 5.465 3.376 5.916
126 H VAL 16 HN VAL 16 6.618 -2.436 -0.865
127 HA VAL 16 HA VAL 16 6.942 -5.343 -0.468
128 HB VAL 16 HB VAL 16 5.147 -4.867 -2.075
129 HG11 VAL 16 1HG1 VAL 16 5.436 -3.634 -4.063
130 HG12 VAL 16 2HG1 VAL 16 7.184 -3.551 -3.849
131 HG13 VAL 16 3HG1 VAL 16 6.120 -2.642 -2.777
132 HG21 VAL 16 1HG2 VAL 16 7.481 -5.814 -3.699
133 HG22 VAL 16 2HG2 VAL 16 5.808 -6.374 -3.723
134 HG23 VAL 16 3HG2 VAL 16 6.851 -6.771 -2.357
135 H ILE 17 HN ILE 17 8.010 -2.506 -2.217
136 HA ILE 17 HA ILE 17 10.742 -3.199 -1.680
137 HB ILE 17 HB ILE 17 9.832 -2.762 -4.539
138 HG12 ILE 17 2HG1 ILE 17 9.348 -5.046 -3.708
139 HG13 ILE 17 1HG1 ILE 17 10.571 -5.039 -4.975
140 HG21 ILE 17 1HG2 ILE 17 11.891 -1.863 -4.671
141 HG22 ILE 17 2HG2 ILE 17 12.405 -3.550 -4.716
142 HG23 ILE 17 3HG2 ILE 17 12.449 -2.655 -3.197
143 HD11 ILE 17 1HD1 ILE 17 10.745 -6.282 -2.520
144 HD12 ILE 17 2HD1 ILE 17 11.749 -4.842 -2.342
145 HD13 ILE 17 3HD1 ILE 17 12.070 -5.986 -3.646
146 HA PRO 18 HA PRO 18 9.793 1.199 -1.486
147 HB2 PRO 18 HB2 PRO 18 10.524 1.223 1.260
148 HB3 PRO 18 HB1 PRO 18 8.887 1.269 0.604
149 HG2 PRO 18 HG2 PRO 18 9.961 -0.827 2.075
150 HG3 PRO 18 HG1 PRO 18 8.554 -0.957 1.006
151 HD2 PRO 18 HD2 PRO 18 11.392 -1.539 0.425
152 HD3 PRO 18 HD1 PRO 18 9.992 -2.521 0.013
153 H LYS 19 HN LYS 19 11.284 2.833 -0.320
154 HA LYS 19 HA LYS 19 13.850 2.645 -1.489
155 HB2 LYS 19 HB2 LYS 19 14.303 4.801 -0.432
156 HB3 LYS 19 HB1 LYS 19 12.722 4.799 -1.200
157 HG2 LYS 19 HG2 LYS 19 11.722 5.319 0.704
158 HG3 LYS 19 HG1 LYS 19 12.495 3.972 1.542
159 HD2 LYS 19 HD2 LYS 19 14.363 6.129 1.031
160 HD3 LYS 19 HD1 LYS 19 12.963 6.687 1.948
161 HE2 LYS 19 HE2 LYS 19 13.886 5.833 3.778
162 HE3 LYS 19 HE1 LYS 19 13.695 4.226 3.080
163 HZ1 LYS 19 HZ1 LYS 19 15.868 4.378 2.117
164 HZ2 LYS 19 HZ2 LYS 19 15.991 4.731 3.766
165 HZ3 LYS 19 HZ3 LYS 19 16.047 5.981 2.628
166 H VAL 20 HN VAL 20 12.599 1.975 1.693
167 HA VAL 20 HA VAL 20 13.520 1.003 3.533
168 HB VAL 20 HB VAL 20 15.893 0.318 1.799
169 HG11 VAL 20 1HG1 VAL 20 16.510 -0.277 3.927
170 HG12 VAL 20 2HG1 VAL 20 15.700 -1.753 3.402
171 HG13 VAL 20 3HG1 VAL 20 14.853 -0.602 4.435
172 HG21 VAL 20 1HG2 VAL 20 14.359 -0.720 0.509
173 HG22 VAL 20 2HG2 VAL 20 13.132 -0.712 1.776
174 HG23 VAL 20 3HG2 VAL 20 14.406 -1.932 1.790
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 -15.680 -1.288 1.200
2 H2 GLY 1 HT2 GLY 1 -15.045 -2.592 2.070
3 H3 GLY 1 HT3 GLY 1 -15.867 -2.866 0.618
4 HA2 GLY 1 HA1 GLY 1 -13.275 -1.450 0.920
5 HA3 GLY 1 HA2 GLY 1 -13.491 -3.072 0.281
6 H LEU 2 HN LEU 2 -12.427 -2.352 -1.648
7 HA LEU 2 HA LEU 2 -12.404 -1.680 -3.821
8 HB2 LEU 2 HB2 LEU 2 -15.343 -1.778 -3.255
9 HB3 LEU 2 HB1 LEU 2 -14.774 -1.130 -4.781
10 HG LEU 2 HG LEU 2 -15.426 -3.523 -4.893
11 HD11 LEU 2 1HD1 LEU 2 -13.875 -3.943 -6.474
12 HD12 LEU 2 2HD1 LEU 2 -12.523 -3.593 -5.396
13 HD13 LEU 2 3HD1 LEU 2 -13.411 -2.271 -6.155
14 HD21 LEU 2 1HD2 LEU 2 -14.257 -3.807 -2.495
15 HD22 LEU 2 2HD2 LEU 2 -12.939 -4.351 -3.534
16 HD23 LEU 2 3HD2 LEU 2 -14.511 -5.147 -3.614
17 H GLY 3 HN GLY 3 -11.224 0.193 -3.294
18 HA2 GLY 3 HA2 GLY 3 -11.029 2.472 -3.951
19 HA3 GLY 3 HA1 GLY 3 -12.759 2.663 -3.698
20 H SER 4 HN SER 4 -12.753 1.337 -1.117
21 HA SER 4 HA SER 4 -11.927 3.597 0.499
22 HB2 SER 4 HB2 SER 4 -13.102 1.027 1.554
23 HB3 SER 4 HB1 SER 4 -13.213 2.649 2.239
24 HG SER 4 HG SER 4 -14.468 1.691 -0.119
25 H VAL 5 HN VAL 5 -11.096 0.267 -0.056
26 HA VAL 5 HA VAL 5 -9.114 0.083 2.017
27 HB VAL 5 HB VAL 5 -9.327 -1.660 -0.393
28 HG11 VAL 5 1HG1 VAL 5 -8.657 -2.512 2.403
29 HG12 VAL 5 2HG1 VAL 5 -7.436 -1.821 1.336
30 HG13 VAL 5 3HG1 VAL 5 -8.265 -3.309 0.880
31 HG21 VAL 5 1HG2 VAL 5 -11.462 -2.067 0.173
32 HG22 VAL 5 2HG2 VAL 5 -11.275 -1.335 1.767
33 HG23 VAL 5 3HG2 VAL 5 -10.772 -3.004 1.499
34 H PHE 6 HN PHE 6 -9.236 0.842 -1.393
35 HA PHE 6 HA PHE 6 -6.709 0.486 -2.302
36 HB2 PHE 6 HB2 PHE 6 -7.418 1.730 -4.036
37 HB3 PHE 6 HB1 PHE 6 -8.925 1.906 -3.148
38 HD1 PHE 6 HD1 PHE 6 -8.710 3.861 -1.251
39 HD2 PHE 6 HD2 PHE 6 -6.572 3.653 -4.924
40 HE1 PHE 6 HE1 PHE 6 -8.391 6.300 -1.198
41 HE2 PHE 6 HE2 PHE 6 -6.245 6.091 -4.876
42 HZ PHE 6 HZ PHE 6 -7.155 7.417 -3.012
43 H GLY 7 HN GLY 7 -7.727 2.681 0.153
44 HA2 GLY 7 HA2 GLY 7 -5.443 4.403 0.105
45 HA3 GLY 7 HA1 GLY 7 -6.591 4.238 1.428
46 H ARG 8 HN ARG 8 -6.285 1.457 1.833
47 HA ARG 8 HA ARG 8 -3.926 1.463 3.462
48 HB2 ARG 8 HB2 ARG 8 -5.554 -0.995 2.898
49 HB3 ARG 8 HB1 ARG 8 -4.713 -0.541 4.373
50 HG2 ARG 8 HG2 ARG 8 -7.273 0.629 3.309
51 HG3 ARG 8 HG1 ARG 8 -7.068 -0.377 4.744
52 HD2 ARG 8 HD2 ARG 8 -5.920 2.382 4.334
53 HD3 ARG 8 HD1 ARG 8 -7.316 1.980 5.334
54 HE ARG 8 HE ARG 8 -4.885 0.582 6.023
55 HH11 ARG 8 1HH1 ARG 8 -6.857 3.409 6.586
56 HH12 ARG 8 2HH1 ARG 8 -6.187 3.717 8.152
57 HH21 ARG 8 1HH2 ARG 8 -4.004 0.989 8.082
58 HH22 ARG 8 2HH2 ARG 8 -4.567 2.345 9.001
59 H LEU 9 HN LEU 9 -5.045 -0.488 0.689
60 HA LEU 9 HA LEU 9 -2.830 -2.087 0.336
61 HB2 LEU 9 HB2 LEU 9 -4.848 -0.944 -1.540
62 HB3 LEU 9 HB1 LEU 9 -3.464 -1.788 -2.207
63 HG LEU 9 HG LEU 9 -4.382 -3.532 -0.268
64 HD11 LEU 9 1HD1 LEU 9 -6.840 -2.854 -1.780
65 HD12 LEU 9 2HD1 LEU 9 -6.432 -1.856 -0.384
66 HD13 LEU 9 3HD1 LEU 9 -6.651 -3.595 -0.191
67 HD21 LEU 9 1HD2 LEU 9 -4.450 -3.340 -3.215
68 HD22 LEU 9 2HD2 LEU 9 -5.509 -4.543 -2.479
69 HD23 LEU 9 3HD2 LEU 9 -3.773 -4.590 -2.171
70 H ALA 10 HN ALA 10 -3.302 1.240 -0.686
71 HA ALA 10 HA ALA 10 -1.234 1.704 -2.405
72 HB1 ALA 10 HB1 ALA 10 -2.175 3.525 -0.199
73 HB2 ALA 10 HB2 ALA 10 -2.867 3.394 -1.816
74 HB3 ALA 10 HB3 ALA 10 -1.230 4.017 -1.605
75 H ARG 11 HN ARG 11 -0.961 0.898 0.930
76 HA ARG 11 HA ARG 11 1.738 1.884 1.151
77 HB2 ARG 11 HB2 ARG 11 1.237 2.013 3.317
78 HB3 ARG 11 HB1 ARG 11 -0.360 1.386 2.959
79 HG2 ARG 11 HG2 ARG 11 1.279 -0.872 3.121
80 HG3 ARG 11 HG1 ARG 11 1.806 0.187 4.423
81 HD2 ARG 11 HD2 ARG 11 0.123 -1.022 5.431
82 HD3 ARG 11 HD1 ARG 11 -0.730 0.430 4.905
83 HE ARG 11 HE ARG 11 -1.095 -1.215 2.822
84 HH11 ARG 11 1HH1 ARG 11 -1.521 -1.696 6.255
85 HH12 ARG 11 2HH1 ARG 11 -2.789 -2.859 6.060
86 HH21 ARG 11 1HH2 ARG 11 -2.761 -2.745 2.567
87 HH22 ARG 11 2HH2 ARG 11 -3.493 -3.455 3.968
88 H ILE 12 HN ILE 12 0.063 -1.263 1.045
89 HA ILE 12 HA ILE 12 2.317 -2.862 1.446
90 HB ILE 12 HB ILE 12 1.164 -4.656 0.289
91 HG12 ILE 12 2HG1 ILE 12 -1.295 -3.093 -0.177
92 HG13 ILE 12 1HG1 ILE 12 0.029 -2.749 -1.281
93 HG21 ILE 12 1HG2 ILE 12 -1.110 -4.298 1.655
94 HG22 ILE 12 2HG2 ILE 12 -0.129 -3.027 2.385
95 HG23 ILE 12 3HG2 ILE 12 0.424 -4.701 2.426
96 HD11 ILE 12 1HD1 ILE 12 -0.447 -4.562 -2.441
97 HD12 ILE 12 2HD1 ILE 12 -1.806 -4.877 -1.362
98 HD13 ILE 12 3HD1 ILE 12 -0.222 -5.567 -1.009
99 H LEU 13 HN LEU 13 1.202 -1.198 -1.400
100 HA LEU 13 HA LEU 13 2.943 -2.528 -3.233
101 HB2 LEU 13 HB2 LEU 13 2.612 -0.122 -4.426
102 HB3 LEU 13 HB1 LEU 13 1.482 -1.453 -4.568
103 HG LEU 13 HG LEU 13 0.994 0.322 -2.276
104 HD11 LEU 13 1HD1 LEU 13 0.106 1.422 -4.882
105 HD12 LEU 13 2HD1 LEU 13 1.776 1.715 -4.397
106 HD13 LEU 13 3HD1 LEU 13 0.451 2.245 -3.361
107 HD21 LEU 13 1HD2 LEU 13 -1.302 0.016 -2.986
108 HD22 LEU 13 2HD2 LEU 13 -0.477 -1.540 -2.988
109 HD23 LEU 13 3HD2 LEU 13 -0.768 -0.694 -4.508
110 H GLY 14 HN GLY 14 3.199 0.044 -0.944
111 HA2 GLY 14 HA2 GLY 14 5.836 0.837 -1.937
112 HA3 GLY 14 HA1 GLY 14 4.960 1.570 -0.597
113 H ARG 15 HN ARG 15 4.444 -1.399 0.217
114 HA ARG 15 HA ARG 15 6.891 -1.633 1.830
115 HB2 ARG 15 HB2 ARG 15 4.061 -2.522 2.203
116 HB3 ARG 15 HB1 ARG 15 5.348 -3.377 3.042
117 HG2 ARG 15 HG2 ARG 15 4.529 -1.745 4.534
118 HG3 ARG 15 HG1 ARG 15 6.088 -1.157 3.953
119 HD2 ARG 15 HD2 ARG 15 4.737 0.113 2.187
120 HD3 ARG 15 HD1 ARG 15 3.333 -0.232 3.191
121 HE ARG 15 HE ARG 15 5.279 1.766 3.643
122 HH11 ARG 15 1HH1 ARG 15 3.330 -0.563 5.369
123 HH12 ARG 15 2HH1 ARG 15 3.313 0.357 6.835
124 HH21 ARG 15 1HH2 ARG 15 5.252 2.972 5.571
125 HH22 ARG 15 2HH2 ARG 15 4.402 2.361 6.951
126 H VAL 16 HN VAL 16 6.688 -2.476 -0.965
127 HA VAL 16 HA VAL 16 7.111 -5.381 -0.661
128 HB VAL 16 HB VAL 16 5.278 -4.892 -2.236
129 HG11 VAL 16 1HG1 VAL 16 5.501 -3.598 -4.167
130 HG12 VAL 16 2HG1 VAL 16 7.261 -3.569 -4.054
131 HG13 VAL 16 3HG1 VAL 16 6.288 -2.647 -2.910
132 HG21 VAL 16 1HG2 VAL 16 7.737 -5.864 -3.682
133 HG22 VAL 16 2HG2 VAL 16 6.059 -6.234 -4.078
134 HG23 VAL 16 3HG2 VAL 16 6.766 -6.839 -2.580
135 H ILE 17 HN ILE 17 8.072 -2.445 -2.301
136 HA ILE 17 HA ILE 17 10.831 -3.082 -1.836
137 HB ILE 17 HB ILE 17 9.871 -2.519 -4.656
138 HG12 ILE 17 2HG1 ILE 17 9.436 -4.854 -3.936
139 HG13 ILE 17 1HG1 ILE 17 10.632 -4.756 -5.224
140 HG21 ILE 17 1HG2 ILE 17 12.514 -2.476 -3.345
141 HG22 ILE 17 2HG2 ILE 17 11.915 -1.563 -4.730
142 HG23 ILE 17 3HG2 ILE 17 12.441 -3.234 -4.936
143 HD11 ILE 17 1HD1 ILE 17 12.212 -5.690 -3.968
144 HD12 ILE 17 2HD1 ILE 17 10.892 -6.169 -2.901
145 HD13 ILE 17 3HD1 ILE 17 11.809 -4.701 -2.565
146 HA PRO 18 HA PRO 18 9.751 1.273 -1.413
147 HB2 PRO 18 HB2 PRO 18 10.507 1.172 1.328
148 HB3 PRO 18 HB1 PRO 18 8.865 1.217 0.685
149 HG2 PRO 18 HG2 PRO 18 9.986 -0.929 2.037
150 HG3 PRO 18 HG1 PRO 18 8.588 -1.039 0.953
151 HD2 PRO 18 HD2 PRO 18 11.446 -1.499 0.353
152 HD3 PRO 18 HD1 PRO 18 10.082 -2.511 -0.104
153 H LYS 19 HN LYS 19 11.195 2.894 -0.178
154 HA LYS 19 HA LYS 19 13.743 2.895 -1.379
155 HB2 LYS 19 HB2 LYS 19 14.142 4.965 -0.142
156 HB3 LYS 19 HB1 LYS 19 12.542 4.970 -0.871
157 HG2 LYS 19 HG2 LYS 19 11.564 5.249 1.097
158 HG3 LYS 19 HG1 LYS 19 12.446 3.893 1.800
159 HD2 LYS 19 HD2 LYS 19 14.112 6.251 1.391
160 HD3 LYS 19 HD1 LYS 19 12.751 6.548 2.474
161 HE2 LYS 19 HE2 LYS 19 14.044 5.676 4.074
162 HE3 LYS 19 HE1 LYS 19 13.689 4.115 3.334
163 HZ1 LYS 19 HZ1 LYS 19 15.995 5.814 2.560
164 HZ2 LYS 19 HZ2 LYS 19 15.697 4.216 2.093
165 HZ3 LYS 19 HZ3 LYS 19 16.090 4.566 3.700
166 H VAL 20 HN VAL 20 12.589 1.887 1.750
167 HA VAL 20 HA VAL 20 13.592 0.814 3.489
168 HB VAL 20 HB VAL 20 15.915 0.332 1.625
169 HG11 VAL 20 1HG1 VAL 20 16.684 -0.470 3.603
170 HG12 VAL 20 2HG1 VAL 20 15.744 -1.878 3.110
171 HG13 VAL 20 3HG1 VAL 20 15.066 -0.722 4.257
172 HG21 VAL 20 1HG2 VAL 20 14.358 -0.652 0.322
173 HG22 VAL 20 2HG2 VAL 20 13.184 -0.774 1.632
174 HG23 VAL 20 3HG2 VAL 20 14.489 -1.954 1.505