Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
12610 | 1t55 RC | 6217 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ILE 1 HT1 ILE 1 11.766 5.500 1.530
2 2H ILE 1 HT2 ILE 1 12.045 4.357 0.304
3 3H ILE 1 HT3 ILE 1 11.553 3.847 1.848
4 HA ILE 1 HA ILE 1 9.380 4.681 1.570
5 HB ILE 1 HB ILE 1 8.947 6.131 -0.461
6 1HG1 ILE 1 HG12 ILE 1 11.794 6.789 -0.744
7 2HG1 ILE 1 HG11 ILE 1 11.406 5.152 -1.275
8 1HG2 ILE 1 HG21 ILE 1 9.376 7.941 0.835
9 2HG2 ILE 1 HG22 ILE 1 11.104 7.593 0.893
10 3HG2 ILE 1 HG23 ILE 1 10.003 6.783 2.009
11 1HD1 ILE 1 HD11 ILE 1 9.394 7.047 -2.171
12 2HD1 ILE 1 HD12 ILE 1 10.360 5.916 -3.119
13 3HD1 ILE 1 HD13 ILE 1 11.000 7.512 -2.730
14 H LEU 2 HN LEU 2 8.740 2.542 1.184
15 HA LEU 2 HA LEU 2 9.126 1.482 -1.595
16 1HB LEU 2 HB2 LEU 2 8.863 0.245 1.148
17 2HB LEU 2 HB1 LEU 2 8.621 -0.716 -0.311
18 HG LEU 2 HG LEU 2 11.102 0.934 0.244
19 1HD1 LEU 2 HD11 LEU 2 10.364 -1.902 0.864
20 2HD1 LEU 2 HD12 LEU 2 11.347 -0.772 1.796
21 3HD1 LEU 2 HD13 LEU 2 12.020 -1.554 0.366
22 1HD2 LEU 2 HD21 LEU 2 11.681 0.447 -1.881
23 2HD2 LEU 2 HD22 LEU 2 10.053 -0.186 -2.124
24 3HD2 LEU 2 HD23 LEU 2 11.353 -1.266 -1.622
25 H GLY 3 HN GLY 3 6.860 0.201 0.755
26 1HA GLY 3 HA2 GLY 3 4.500 0.238 0.814
27 2HA GLY 3 HA1 GLY 3 4.534 1.569 -0.343
28 H LYS 4 HN LYS 4 6.245 -1.409 -0.997
29 HA LYS 4 HA LYS 4 5.175 -1.822 -3.565
30 1HB LYS 4 HB2 LYS 4 6.165 -4.028 -3.339
31 2HB LYS 4 HB1 LYS 4 7.182 -2.884 -2.464
32 1HG LYS 4 HG2 LYS 4 5.437 -3.585 -0.500
33 2HG LYS 4 HG1 LYS 4 5.495 -5.085 -1.426
34 1HD LYS 4 HD2 LYS 4 8.046 -3.657 -0.719
35 2HD LYS 4 HD1 LYS 4 7.261 -4.703 0.465
36 1HE LYS 4 HE2 LYS 4 7.756 -5.697 -2.343
37 2HE LYS 4 HE1 LYS 4 9.031 -5.785 -1.112
38 1HZ LYS 4 HZ1 LYS 4 7.158 -6.705 0.368
39 2HZ LYS 4 HZ2 LYS 4 7.867 -7.744 -0.775
40 3HZ LYS 4 HZ3 LYS 4 6.357 -7.033 -1.091
41 H ILE 5 HN ILE 5 3.773 -2.536 -0.447
42 HA ILE 5 HA ILE 5 1.408 -3.745 -1.838
43 HB ILE 5 HB ILE 5 2.875 -5.438 -0.739
44 1HG1 ILE 5 HG12 ILE 5 0.315 -5.061 0.835
45 2HG1 ILE 5 HG11 ILE 5 0.331 -5.618 -0.839
46 1HG2 ILE 5 HG21 ILE 5 2.111 -4.552 1.972
47 2HG2 ILE 5 HG22 ILE 5 3.267 -3.498 1.157
48 3HG2 ILE 5 HG23 ILE 5 3.643 -5.205 1.391
49 1HD1 ILE 5 HD11 ILE 5 0.749 -7.708 -0.124
50 2HD1 ILE 5 HD12 ILE 5 0.797 -7.142 1.546
51 3HD1 ILE 5 HD13 ILE 5 2.269 -7.149 0.575
52 H TRP 6 HN TRP 6 2.355 -1.082 -0.321
53 HA TRP 6 HA TRP 6 -0.022 -0.898 1.495
54 1HB TRP 6 HB2 TRP 6 2.659 -0.398 1.907
55 2HB TRP 6 HB1 TRP 6 2.032 1.213 1.554
56 HD1 TRP 6 HD1 TRP 6 1.347 2.418 3.670
57 HE1 TRP 6 HE1 TRP 6 0.275 1.756 5.919
58 HE3 TRP 6 HE3 TRP 6 0.867 -2.618 2.972
59 HZ2 TRP 6 HZ2 TRP 6 -0.662 -0.597 7.247
60 HZ3 TRP 6 HZ3 TRP 6 -0.118 -4.045 4.743
61 HH2 TRP 6 HH2 TRP 6 -0.882 -3.042 6.878
62 H LYS 7 HN LYS 7 1.491 0.407 -1.373
63 HA LYS 7 HA LYS 7 0.204 2.938 -1.556
64 1HB LYS 7 HB2 LYS 7 1.535 0.962 -3.314
65 2HB LYS 7 HB1 LYS 7 0.447 2.079 -4.141
66 1HG LYS 7 HG2 LYS 7 1.686 3.956 -3.527
67 2HG LYS 7 HG1 LYS 7 2.400 3.151 -2.129
68 1HD LYS 7 HD2 LYS 7 4.078 2.216 -3.359
69 2HD LYS 7 HD1 LYS 7 3.030 1.924 -4.748
70 1HE LYS 7 HE2 LYS 7 3.496 4.786 -4.213
71 2HE LYS 7 HE1 LYS 7 4.958 3.885 -4.663
72 1HZ LYS 7 HZ1 LYS 7 2.531 3.233 -6.129
73 2HZ LYS 7 HZ2 LYS 7 4.133 3.354 -6.682
74 3HZ LYS 7 HZ3 LYS 7 3.201 4.756 -6.455
75 HA PRO 8 HA PRO 8 -3.457 0.750 -3.410
76 1HB PRO 8 HB2 PRO 8 -3.465 -1.957 -3.806
77 2HB PRO 8 HB1 PRO 8 -2.725 -0.817 -4.948
78 1HG PRO 8 HG2 PRO 8 -1.442 -2.521 -2.876
79 2HG PRO 8 HG1 PRO 8 -0.890 -2.120 -4.510
80 1HD PRO 8 HD2 PRO 8 0.089 -0.935 -2.262
81 2HD PRO 8 HD1 PRO 8 0.046 -0.142 -3.851
82 H ILE 9 HN ILE 9 -2.109 -1.612 -1.083
83 HA ILE 9 HA ILE 9 -4.504 -2.557 0.063
84 HB ILE 9 HB ILE 9 -1.725 -2.016 1.124
85 1HG1 ILE 9 HG12 ILE 9 -2.045 -3.778 -0.604
86 2HG1 ILE 9 HG11 ILE 9 -1.534 -4.458 0.942
87 1HG2 ILE 9 HG21 ILE 9 -3.930 -3.555 2.527
88 2HG2 ILE 9 HG22 ILE 9 -3.408 -1.934 2.985
89 3HG2 ILE 9 HG23 ILE 9 -2.289 -3.291 3.116
90 1HD1 ILE 9 HD11 ILE 9 -4.238 -4.559 -0.365
91 2HD1 ILE 9 HD12 ILE 9 -4.112 -4.671 1.390
92 3HD1 ILE 9 HD13 ILE 9 -3.310 -5.866 0.370
93 H LYS 10 HN LYS 10 -2.627 0.370 0.883
94 HA LYS 10 HA LYS 10 -4.166 1.216 3.124
95 1HB LYS 10 HB2 LYS 10 -2.062 2.230 2.670
96 2HB LYS 10 HB1 LYS 10 -2.514 2.604 1.006
97 1HG LYS 10 HG2 LYS 10 -4.204 3.764 3.172
98 2HG LYS 10 HG1 LYS 10 -2.599 4.457 2.939
99 1HD LYS 10 HD2 LYS 10 -3.716 4.101 0.355
100 2HD LYS 10 HD1 LYS 10 -4.964 4.851 1.352
101 1HE LYS 10 HE2 LYS 10 -2.108 5.875 1.273
102 2HE LYS 10 HE1 LYS 10 -3.391 6.501 0.218
103 1HZ LYS 10 HZ1 LYS 10 -3.306 7.783 2.254
104 2HZ LYS 10 HZ2 LYS 10 -3.470 6.373 3.188
105 3HZ LYS 10 HZ3 LYS 10 -4.750 6.894 2.200
106 H LYS 11 HN LYS 11 -4.843 1.320 -0.304
107 HA LYS 11 HA LYS 11 -6.939 3.359 -0.109
108 1HB LYS 11 HB2 LYS 11 -5.431 1.932 -2.096
109 2HB LYS 11 HB1 LYS 11 -7.149 1.763 -2.460
110 1HG LYS 11 HG2 LYS 11 -6.614 4.471 -1.646
111 2HG LYS 11 HG1 LYS 11 -5.502 4.019 -2.939
112 1HD LYS 11 HD2 LYS 11 -7.937 2.950 -3.763
113 2HD LYS 11 HD1 LYS 11 -8.378 4.508 -3.062
114 1HE LYS 11 HE2 LYS 11 -6.900 5.697 -4.533
115 2HE LYS 11 HE1 LYS 11 -6.122 4.193 -5.067
116 1HZ LYS 11 HZ1 LYS 11 -9.024 4.329 -5.299
117 2HZ LYS 11 HZ2 LYS 11 -7.885 3.609 -6.334
118 3HZ LYS 11 HZ3 LYS 11 -8.142 5.288 -6.385
119 H LEU 12 HN LEU 12 -6.813 -0.196 -0.424
120 HA LEU 12 HA LEU 12 -9.686 -0.553 -0.501
121 1HB LEU 12 HB2 LEU 12 -7.218 -2.110 -0.503
122 2HB LEU 12 HB1 LEU 12 -8.477 -2.892 0.453
123 HG LEU 12 HG LEU 12 -9.455 -1.778 -2.084
124 1HD1 LEU 12 HD11 LEU 12 -7.082 -2.589 -2.615
125 2HD1 LEU 12 HD12 LEU 12 -8.383 -3.318 -3.558
126 3HD1 LEU 12 HD13 LEU 12 -7.659 -4.207 -2.218
127 1HD2 LEU 12 HD21 LEU 12 -10.284 -4.243 -2.164
128 2HD2 LEU 12 HD22 LEU 12 -10.923 -3.196 -0.897
129 3HD2 LEU 12 HD23 LEU 12 -9.646 -4.353 -0.523
130 H PHE 13 HN PHE 13 -7.416 0.049 2.041
131 HA PHE 13 HA PHE 13 -9.403 -0.844 4.100
132 1HB PHE 13 HB2 PHE 13 -6.445 -0.751 3.845
133 2HB PHE 13 HB1 PHE 13 -7.087 -0.360 5.441
134 HD1 PHE 13 HD1 PHE 13 -6.310 -2.376 6.546
135 HD2 PHE 13 HD2 PHE 13 -8.800 -2.598 3.054
136 HE1 PHE 13 HE1 PHE 13 -6.703 -4.786 6.980
137 HE2 PHE 13 HE2 PHE 13 -9.193 -5.008 3.487
138 HZ PHE 13 HZ PHE 13 -8.144 -6.102 5.451
139 1HN NH2 14 HN1 NH2 14 -9.251 0.682 6.165
140 2HN NH2 14 HN2 NH2 14 -9.221 2.350 5.855
Start of MODEL 2
1 1H ILE 1 HT1 ILE 1 -12.645 2.290 -4.003
2 2H ILE 1 HT2 ILE 1 -11.244 3.241 -3.867
3 3H ILE 1 HT3 ILE 1 -12.519 3.438 -2.761
4 HA ILE 1 HA ILE 1 -11.952 1.619 -1.540
5 HB ILE 1 HB ILE 1 -12.452 0.240 -3.571
6 1HG1 ILE 1 HG12 ILE 1 -9.898 -0.639 -2.194
7 2HG1 ILE 1 HG11 ILE 1 -11.487 -0.720 -1.434
8 1HG2 ILE 1 HG21 ILE 1 -10.859 -0.155 -5.236
9 2HG2 ILE 1 HG22 ILE 1 -9.513 0.311 -4.197
10 3HG2 ILE 1 HG23 ILE 1 -10.579 1.546 -4.866
11 1HD1 ILE 1 HD11 ILE 1 -10.818 -2.031 -4.083
12 2HD1 ILE 1 HD12 ILE 1 -12.301 -2.225 -3.147
13 3HD1 ILE 1 HD13 ILE 1 -10.779 -2.871 -2.533
14 H LEU 2 HN LEU 2 -10.230 1.914 -0.176
15 HA LEU 2 HA LEU 2 -7.915 3.448 -0.901
16 1HB LEU 2 HB2 LEU 2 -8.881 1.806 1.410
17 2HB LEU 2 HB1 LEU 2 -7.185 2.293 1.392
18 HG LEU 2 HG LEU 2 -8.385 4.638 0.699
19 1HD1 LEU 2 HD11 LEU 2 -10.594 3.282 1.203
20 2HD1 LEU 2 HD12 LEU 2 -10.438 4.950 1.752
21 3HD1 LEU 2 HD13 LEU 2 -10.176 3.622 2.882
22 1HD2 LEU 2 HD21 LEU 2 -8.080 5.257 3.109
23 2HD2 LEU 2 HD22 LEU 2 -6.697 4.390 2.442
24 3HD2 LEU 2 HD23 LEU 2 -7.847 3.548 3.481
25 H GLY 3 HN GLY 3 -5.673 2.238 -0.056
26 1HA GLY 3 HA2 GLY 3 -5.475 -0.286 -1.652
27 2HA GLY 3 HA1 GLY 3 -4.240 0.968 -1.741
28 H LYS 4 HN LYS 4 -5.960 -0.350 1.079
29 HA LYS 4 HA LYS 4 -3.842 -0.321 2.896
30 1HB LYS 4 HB2 LYS 4 -6.186 -0.836 3.424
31 2HB LYS 4 HB1 LYS 4 -6.063 -2.361 2.545
32 1HG LYS 4 HG2 LYS 4 -5.729 -3.003 4.787
33 2HG LYS 4 HG1 LYS 4 -4.088 -2.877 4.152
34 1HD LYS 4 HD2 LYS 4 -3.839 -0.650 5.102
35 2HD LYS 4 HD1 LYS 4 -5.522 -0.653 5.631
36 1HE LYS 4 HE2 LYS 4 -3.485 -2.703 6.566
37 2HE LYS 4 HE1 LYS 4 -3.890 -1.232 7.473
38 1HZ LYS 4 HZ1 LYS 4 -5.660 -3.484 6.738
39 2HZ LYS 4 HZ2 LYS 4 -6.295 -1.955 7.117
40 3HZ LYS 4 HZ3 LYS 4 -5.390 -2.813 8.271
41 H ILE 5 HN ILE 5 -4.302 -2.455 0.176
42 HA ILE 5 HA ILE 5 -2.146 -4.277 1.152
43 HB ILE 5 HB ILE 5 -4.301 -5.234 0.415
44 1HG1 ILE 5 HG12 ILE 5 -2.190 -5.791 -1.685
45 2HG1 ILE 5 HG11 ILE 5 -2.067 -6.385 -0.029
46 1HG2 ILE 5 HG21 ILE 5 -3.843 -3.356 -1.795
47 2HG2 ILE 5 HG22 ILE 5 -5.350 -4.070 -1.223
48 3HG2 ILE 5 HG23 ILE 5 -4.318 -4.965 -2.338
49 1HD1 ILE 5 HD11 ILE 5 -3.971 -7.180 -2.191
50 2HD1 ILE 5 HD12 ILE 5 -4.552 -7.214 -0.526
51 3HD1 ILE 5 HD13 ILE 5 -3.153 -8.182 -0.992
52 H TRP 6 HN TRP 6 -2.164 -1.434 -0.348
53 HA TRP 6 HA TRP 6 0.142 -2.154 -2.094
54 1HB TRP 6 HB2 TRP 6 -2.286 -1.897 -3.171
55 2HB TRP 6 HB1 TRP 6 -1.881 -0.182 -3.077
56 HD1 TRP 6 HD1 TRP 6 -1.049 0.541 -5.364
57 HE1 TRP 6 HE1 TRP 6 0.614 -0.389 -7.101
58 HE3 TRP 6 HE3 TRP 6 0.145 -3.904 -3.151
59 HZ2 TRP 6 HZ2 TRP 6 2.236 -2.712 -7.499
60 HZ3 TRP 6 HZ3 TRP 6 1.750 -5.455 -4.229
61 HH2 TRP 6 HH2 TRP 6 2.796 -4.865 -6.398
62 H LYS 7 HN LYS 7 -1.821 0.500 -0.750
63 HA LYS 7 HA LYS 7 -0.011 2.635 -1.054
64 1HB LYS 7 HB2 LYS 7 -2.395 1.963 0.405
65 2HB LYS 7 HB1 LYS 7 -1.300 2.835 1.480
66 1HG LYS 7 HG2 LYS 7 -1.954 3.792 -1.315
67 2HG LYS 7 HG1 LYS 7 -2.871 4.294 0.106
68 1HD LYS 7 HD2 LYS 7 -0.157 4.610 0.802
69 2HD LYS 7 HD1 LYS 7 -0.310 5.257 -0.832
70 1HE LYS 7 HE2 LYS 7 -2.184 5.999 1.442
71 2HE LYS 7 HE1 LYS 7 -0.781 6.971 0.956
72 1HZ LYS 7 HZ1 LYS 7 -1.645 7.062 -1.289
73 2HZ LYS 7 HZ2 LYS 7 -2.802 7.674 -0.205
74 3HZ LYS 7 HZ3 LYS 7 -2.980 6.113 -0.851
75 HA PRO 8 HA PRO 8 1.938 1.513 3.147
76 1HB PRO 8 HB2 PRO 8 1.356 -0.921 4.251
77 2HB PRO 8 HB1 PRO 8 0.416 0.545 4.596
78 1HG PRO 8 HG2 PRO 8 -0.195 -1.703 2.748
79 2HG PRO 8 HG1 PRO 8 -1.277 -0.783 3.804
80 1HD PRO 8 HD2 PRO 8 -1.081 -0.361 1.120
81 2HD PRO 8 HD1 PRO 8 -1.547 0.900 2.281
82 H ILE 9 HN ILE 9 1.267 -1.355 1.129
83 HA ILE 9 HA ILE 9 3.761 -2.686 1.468
84 HB ILE 9 HB ILE 9 1.650 -2.542 -0.687
85 1HG1 ILE 9 HG12 ILE 9 1.597 -5.053 0.121
86 2HG1 ILE 9 HG11 ILE 9 2.449 -4.410 1.525
87 1HG2 ILE 9 HG21 ILE 9 4.314 -3.931 -0.746
88 2HG2 ILE 9 HG22 ILE 9 3.454 -3.116 -2.053
89 3HG2 ILE 9 HG23 ILE 9 2.919 -4.703 -1.500
90 1HD1 ILE 9 HD11 ILE 9 -0.282 -4.427 1.237
91 2HD1 ILE 9 HD12 ILE 9 0.128 -2.800 0.693
92 3HD1 ILE 9 HD13 ILE 9 0.605 -3.338 2.303
93 H LYS 10 HN LYS 10 2.758 -0.159 -0.842
94 HA LYS 10 HA LYS 10 5.157 -0.133 -2.406
95 1HB LYS 10 HB2 LYS 10 2.820 0.911 -2.787
96 2HB LYS 10 HB1 LYS 10 3.403 2.249 -1.797
97 1HG LYS 10 HG2 LYS 10 4.728 1.221 -4.325
98 2HG LYS 10 HG1 LYS 10 3.780 2.703 -4.193
99 1HD LYS 10 HD2 LYS 10 5.479 3.238 -2.235
100 2HD LYS 10 HD1 LYS 10 6.504 2.095 -3.104
101 1HE LYS 10 HE2 LYS 10 5.154 4.456 -4.454
102 2HE LYS 10 HE1 LYS 10 6.817 4.500 -3.833
103 1HZ LYS 10 HZ1 LYS 10 7.536 2.989 -5.351
104 2HZ LYS 10 HZ2 LYS 10 6.281 3.673 -6.271
105 3HZ LYS 10 HZ3 LYS 10 6.038 2.200 -5.459
106 H LYS 11 HN LYS 11 4.195 1.672 0.502
107 HA LYS 11 HA LYS 11 6.460 3.406 0.656
108 1HB LYS 11 HB2 LYS 11 4.576 2.200 2.700
109 2HB LYS 11 HB1 LYS 11 5.756 3.447 3.106
110 1HG LYS 11 HG2 LYS 11 3.556 3.692 1.031
111 2HG LYS 11 HG1 LYS 11 3.575 4.469 2.615
112 1HD LYS 11 HD2 LYS 11 5.838 5.484 1.865
113 2HD LYS 11 HD1 LYS 11 5.346 5.016 0.236
114 1HE LYS 11 HE2 LYS 11 3.425 6.555 1.974
115 2HE LYS 11 HE1 LYS 11 4.706 7.412 1.094
116 1HZ LYS 11 HZ1 LYS 11 2.848 7.241 -0.362
117 2HZ LYS 11 HZ2 LYS 11 2.658 5.584 -0.038
118 3HZ LYS 11 HZ3 LYS 11 4.008 6.133 -0.911
119 H LEU 12 HN LEU 12 5.847 0.377 2.483
120 HA LEU 12 HA LEU 12 8.819 0.075 2.767
121 1HB LEU 12 HB2 LEU 12 6.449 -0.348 4.533
122 2HB LEU 12 HB1 LEU 12 7.810 -1.452 4.733
123 HG LEU 12 HG LEU 12 8.338 1.496 4.571
124 1HD1 LEU 12 HD11 LEU 12 6.758 1.638 6.278
125 2HD1 LEU 12 HD12 LEU 12 8.222 1.290 7.197
126 3HD1 LEU 12 HD13 LEU 12 7.074 -0.002 6.845
127 1HD2 LEU 12 HD21 LEU 12 9.877 0.233 6.543
128 2HD2 LEU 12 HD22 LEU 12 10.401 0.639 4.909
129 3HD2 LEU 12 HD23 LEU 12 9.745 -0.962 5.252
130 H PHE 13 HN PHE 13 9.268 -1.291 1.009
131 HA PHE 13 HA PHE 13 7.604 -3.399 0.046
132 1HB PHE 13 HB2 PHE 13 10.512 -2.650 -0.078
133 2HB PHE 13 HB1 PHE 13 9.990 -4.191 -0.760
134 HD1 PHE 13 HD1 PHE 13 10.434 -3.594 -3.075
135 HD2 PHE 13 HD2 PHE 13 7.813 -1.210 -0.646
136 HE1 PHE 13 HE1 PHE 13 9.618 -2.424 -5.103
137 HE2 PHE 13 HE2 PHE 13 7.000 -0.039 -2.674
138 HZ PHE 13 HZ PHE 13 7.901 -0.646 -4.902
139 1HN NH2 14 HN1 NH2 14 7.212 -5.448 0.943
140 2HN NH2 14 HN2 NH2 14 8.134 -6.169 2.171
Start of MODEL 3
1 1H ILE 1 HT1 ILE 1 10.085 -1.039 -3.061
2 2H ILE 1 HT2 ILE 1 8.898 -1.506 -1.939
3 3H ILE 1 HT3 ILE 1 10.438 -1.029 -1.402
4 HA ILE 1 HA ILE 1 10.058 1.230 -2.110
5 HB ILE 1 HB ILE 1 8.739 0.335 -4.100
6 1HG1 ILE 1 HG12 ILE 1 7.018 2.447 -2.943
7 2HG1 ILE 1 HG11 ILE 1 8.745 2.803 -2.924
8 1HG2 ILE 1 HG21 ILE 1 6.479 0.405 -2.077
9 2HG2 ILE 1 HG22 ILE 1 7.195 -1.066 -2.734
10 3HG2 ILE 1 HG23 ILE 1 6.329 0.044 -3.796
11 1HD1 ILE 1 HD11 ILE 1 7.684 3.586 -5.021
12 2HD1 ILE 1 HD12 ILE 1 7.167 1.935 -5.365
13 3HD1 ILE 1 HD13 ILE 1 8.885 2.332 -5.333
14 H LEU 2 HN LEU 2 9.515 -0.658 0.207
15 HA LEU 2 HA LEU 2 8.539 -0.502 2.351
16 1HB LEU 2 HB2 LEU 2 8.013 2.311 1.338
17 2HB LEU 2 HB1 LEU 2 8.016 1.810 3.028
18 HG LEU 2 HG LEU 2 10.372 1.720 1.122
19 1HD1 LEU 2 HD11 LEU 2 9.609 3.450 3.475
20 2HD1 LEU 2 HD12 LEU 2 10.106 3.954 1.860
21 3HD1 LEU 2 HD13 LEU 2 11.290 3.272 2.974
22 1HD2 LEU 2 HD21 LEU 2 9.932 0.646 3.906
23 2HD2 LEU 2 HD22 LEU 2 11.545 1.119 3.371
24 3HD2 LEU 2 HD23 LEU 2 10.672 -0.155 2.519
25 H GLY 3 HN GLY 3 6.467 -0.754 3.315
26 1HA GLY 3 HA2 GLY 3 4.205 -1.420 3.202
27 2HA GLY 3 HA1 GLY 3 3.995 0.190 2.512
28 H LYS 4 HN LYS 4 5.928 -2.281 0.942
29 HA LYS 4 HA LYS 4 4.736 -2.012 -1.600
30 1HB LYS 4 HB2 LYS 4 6.890 -3.083 -1.169
31 2HB LYS 4 HB1 LYS 4 6.098 -4.371 -0.261
32 1HG LYS 4 HG2 LYS 4 6.683 -4.972 -2.651
33 2HG LYS 4 HG1 LYS 4 4.982 -5.182 -2.234
34 1HD LYS 4 HD2 LYS 4 4.298 -3.416 -3.541
35 2HD LYS 4 HD1 LYS 4 5.799 -2.520 -3.298
36 1HE LYS 4 HE2 LYS 4 6.114 -3.188 -5.502
37 2HE LYS 4 HE1 LYS 4 6.792 -4.610 -4.683
38 1HZ LYS 4 HZ1 LYS 4 4.073 -4.252 -5.793
39 2HZ LYS 4 HZ2 LYS 4 4.396 -5.430 -4.612
40 3HZ LYS 4 HZ3 LYS 4 5.187 -5.490 -6.114
41 H ILE 5 HN ILE 5 3.525 -3.617 1.216
42 HA ILE 5 HA ILE 5 1.339 -4.839 -0.439
43 HB ILE 5 HB ILE 5 1.369 -6.699 1.148
44 1HG1 ILE 5 HG12 ILE 5 3.720 -5.363 2.504
45 2HG1 ILE 5 HG11 ILE 5 2.066 -5.157 3.082
46 1HG2 ILE 5 HG21 ILE 5 4.102 -7.026 0.899
47 2HG2 ILE 5 HG22 ILE 5 3.734 -5.874 -0.385
48 3HG2 ILE 5 HG23 ILE 5 2.914 -7.435 -0.338
49 1HD1 ILE 5 HD11 ILE 5 2.426 -7.933 2.633
50 2HD1 ILE 5 HD12 ILE 5 2.242 -7.110 4.182
51 3HD1 ILE 5 HD13 ILE 5 3.851 -7.374 3.509
52 H TRP 6 HN TRP 6 1.833 -2.282 1.387
53 HA TRP 6 HA TRP 6 -0.841 -2.458 2.693
54 1HB TRP 6 HB2 TRP 6 0.713 -3.060 4.427
55 2HB TRP 6 HB1 TRP 6 1.816 -1.762 3.967
56 HD1 TRP 6 HD1 TRP 6 1.697 0.176 5.588
57 HE1 TRP 6 HE1 TRP 6 -0.145 1.319 6.983
58 HE3 TRP 6 HE3 TRP 6 -2.304 -2.729 4.313
59 HZ2 TRP 6 HZ2 TRP 6 -2.946 1.038 7.491
60 HZ3 TRP 6 HZ3 TRP 6 -4.545 -2.271 5.266
61 HH2 TRP 6 HH2 TRP 6 -4.871 -0.393 6.852
62 H LYS 7 HN LYS 7 1.906 -0.441 1.705
63 HA LYS 7 HA LYS 7 0.748 2.120 2.100
64 1HB LYS 7 HB2 LYS 7 3.052 1.992 1.616
65 2HB LYS 7 HB1 LYS 7 2.796 0.931 0.233
66 1HG LYS 7 HG2 LYS 7 2.125 2.678 -1.157
67 2HG LYS 7 HG1 LYS 7 1.619 3.692 0.195
68 1HD LYS 7 HD2 LYS 7 4.297 3.367 0.713
69 2HD LYS 7 HD1 LYS 7 4.274 3.416 -1.050
70 1HE LYS 7 HE2 LYS 7 3.315 5.578 -1.099
71 2HE LYS 7 HE1 LYS 7 2.765 5.465 0.585
72 1HZ LYS 7 HZ1 LYS 7 4.866 5.756 1.400
73 2HZ LYS 7 HZ2 LYS 7 4.981 6.706 -0.005
74 3HZ LYS 7 HZ3 LYS 7 5.622 5.132 0.016
75 HA PRO 8 HA PRO 8 -1.161 1.695 -2.176
76 1HB PRO 8 HB2 PRO 8 -1.176 -0.722 -3.456
77 2HB PRO 8 HB1 PRO 8 0.163 0.436 -3.598
78 1HG PRO 8 HG2 PRO 8 -0.056 -2.004 -1.909
79 2HG PRO 8 HG1 PRO 8 1.331 -1.379 -2.816
80 1HD PRO 8 HD2 PRO 8 1.056 -1.074 -0.134
81 2HD PRO 8 HD1 PRO 8 1.922 0.087 -1.162
82 H ILE 9 HN ILE 9 -1.510 -1.510 -0.611
83 HA ILE 9 HA ILE 9 -4.208 -2.034 -1.157
84 HB ILE 9 HB ILE 9 -2.389 -2.556 1.197
85 1HG1 ILE 9 HG12 ILE 9 -2.938 -4.954 0.170
86 2HG1 ILE 9 HG11 ILE 9 -3.314 -3.993 -1.261
87 1HG2 ILE 9 HG21 ILE 9 -4.223 -4.336 1.744
88 2HG2 ILE 9 HG22 ILE 9 -5.297 -3.260 0.849
89 3HG2 ILE 9 HG23 ILE 9 -4.465 -2.676 2.291
90 1HD1 ILE 9 HD11 ILE 9 -0.832 -3.137 0.017
91 2HD1 ILE 9 HD12 ILE 9 -1.133 -3.569 -1.666
92 3HD1 ILE 9 HD13 ILE 9 -0.776 -4.827 -0.482
93 H LYS 10 HN LYS 10 -2.834 0.365 0.991
94 HA LYS 10 HA LYS 10 -5.294 0.833 2.503
95 1HB LYS 10 HB2 LYS 10 -3.042 1.230 3.413
96 2HB LYS 10 HB1 LYS 10 -2.729 2.417 2.146
97 1HG LYS 10 HG2 LYS 10 -5.209 2.889 3.673
98 2HG LYS 10 HG1 LYS 10 -3.728 3.035 4.620
99 1HD LYS 10 HD2 LYS 10 -3.122 4.335 2.230
100 2HD LYS 10 HD1 LYS 10 -4.787 4.814 2.565
101 1HE LYS 10 HE2 LYS 10 -4.200 6.013 4.432
102 2HE LYS 10 HE1 LYS 10 -2.938 4.854 4.897
103 1HZ LYS 10 HZ1 LYS 10 -1.443 5.736 3.405
104 2HZ LYS 10 HZ2 LYS 10 -2.255 7.140 3.912
105 3HZ LYS 10 HZ3 LYS 10 -2.644 6.421 2.422
106 H LYS 11 HN LYS 11 -3.782 2.119 -0.403
107 HA LYS 11 HA LYS 11 -5.629 4.408 -0.578
108 1HB LYS 11 HB2 LYS 11 -3.093 3.922 -1.402
109 2HB LYS 11 HB1 LYS 11 -3.969 3.520 -2.879
110 1HG LYS 11 HG2 LYS 11 -5.233 5.806 -2.285
111 2HG LYS 11 HG1 LYS 11 -3.693 6.147 -1.495
112 1HD LYS 11 HD2 LYS 11 -3.281 6.925 -3.654
113 2HD LYS 11 HD1 LYS 11 -2.668 5.275 -3.756
114 1HE LYS 11 HE2 LYS 11 -4.040 5.442 -5.674
115 2HE LYS 11 HE1 LYS 11 -5.128 4.691 -4.490
116 1HZ LYS 11 HZ1 LYS 11 -5.864 6.926 -3.846
117 2HZ LYS 11 HZ2 LYS 11 -6.206 6.597 -5.477
118 3HZ LYS 11 HZ3 LYS 11 -4.896 7.598 -5.065
119 H LEU 12 HN LEU 12 -5.184 1.234 -2.119
120 HA LEU 12 HA LEU 12 -7.207 1.569 -4.146
121 1HB LEU 12 HB2 LEU 12 -6.159 -0.943 -2.802
122 2HB LEU 12 HB1 LEU 12 -6.887 -0.837 -4.404
123 HG LEU 12 HG LEU 12 -4.259 0.361 -3.500
124 1HD1 LEU 12 HD11 LEU 12 -3.591 -0.977 -5.647
125 2HD1 LEU 12 HD12 LEU 12 -5.117 -1.822 -5.387
126 3HD1 LEU 12 HD13 LEU 12 -3.866 -1.860 -4.144
127 1HD2 LEU 12 HD21 LEU 12 -5.483 1.981 -4.900
128 2HD2 LEU 12 HD22 LEU 12 -5.753 0.734 -6.117
129 3HD2 LEU 12 HD23 LEU 12 -4.117 1.304 -5.787
130 H PHE 13 HN PHE 13 -7.323 0.808 -0.745
131 HA PHE 13 HA PHE 13 -10.059 -0.310 -0.896
132 1HB PHE 13 HB2 PHE 13 -7.813 -0.522 0.783
133 2HB PHE 13 HB1 PHE 13 -9.023 0.327 1.746
134 HD1 PHE 13 HD1 PHE 13 -11.547 -0.690 1.201
135 HD2 PHE 13 HD2 PHE 13 -7.823 -2.826 1.077
136 HE1 PHE 13 HE1 PHE 13 -12.759 -2.824 1.562
137 HE2 PHE 13 HE2 PHE 13 -9.034 -4.960 1.438
138 HZ PHE 13 HZ PHE 13 -11.502 -4.959 1.681
139 1HN NH2 14 HN1 NH2 14 -10.776 0.986 1.733
140 2HN NH2 14 HN2 NH2 14 -11.225 2.579 1.355
Start of MODEL 4
1 1H ILE 1 HT1 ILE 1 7.193 5.207 -1.141
2 2H ILE 1 HT2 ILE 1 7.279 4.333 0.314
3 3H ILE 1 HT3 ILE 1 6.653 3.600 -1.086
4 HA ILE 1 HA ILE 1 8.952 4.047 -2.110
5 HB ILE 1 HB ILE 1 9.292 4.488 0.866
6 1HG1 ILE 1 HG12 ILE 1 10.783 6.338 -0.555
7 2HG1 ILE 1 HG11 ILE 1 9.360 6.122 -1.574
8 1HG2 ILE 1 HG21 ILE 1 11.369 3.828 -1.239
9 2HG2 ILE 1 HG22 ILE 1 11.037 2.943 0.250
10 3HG2 ILE 1 HG23 ILE 1 11.764 4.548 0.321
11 1HD1 ILE 1 HD11 ILE 1 8.336 7.580 -0.178
12 2HD1 ILE 1 HD12 ILE 1 9.594 7.415 1.046
13 3HD1 ILE 1 HD13 ILE 1 8.279 6.243 0.971
14 H LEU 2 HN LEU 2 8.245 2.441 1.024
15 HA LEU 2 HA LEU 2 9.406 -0.085 -0.001
16 1HB LEU 2 HB2 LEU 2 8.480 1.050 2.623
17 2HB LEU 2 HB1 LEU 2 8.668 -0.696 2.461
18 HG LEU 2 HG LEU 2 10.949 0.617 1.296
19 1HD1 LEU 2 HD11 LEU 2 10.970 1.158 4.207
20 2HD1 LEU 2 HD12 LEU 2 9.947 2.228 3.250
21 3HD1 LEU 2 HD13 LEU 2 11.667 2.092 2.884
22 1HD2 LEU 2 HD21 LEU 2 11.088 -1.646 2.044
23 2HD2 LEU 2 HD22 LEU 2 10.448 -1.235 3.636
24 3HD2 LEU 2 HD23 LEU 2 12.072 -0.720 3.178
25 H GLY 3 HN GLY 3 8.143 -1.757 -0.739
26 1HA GLY 3 HA2 GLY 3 6.236 -3.042 -1.208
27 2HA GLY 3 HA1 GLY 3 5.489 -2.311 0.212
28 H LYS 4 HN LYS 4 6.039 -1.912 -3.245
29 HA LYS 4 HA LYS 4 4.341 0.489 -3.399
30 1HB LYS 4 HB2 LYS 4 5.600 -1.320 -5.491
31 2HB LYS 4 HB1 LYS 4 4.861 0.249 -5.817
32 1HG LYS 4 HG2 LYS 4 6.890 1.157 -5.433
33 2HG LYS 4 HG1 LYS 4 6.641 0.762 -3.732
34 1HD LYS 4 HD2 LYS 4 7.450 -1.650 -4.901
35 2HD LYS 4 HD1 LYS 4 8.486 -0.428 -5.639
36 1HE LYS 4 HE2 LYS 4 8.083 -0.153 -2.706
37 2HE LYS 4 HE1 LYS 4 9.046 -1.548 -3.233
38 1HZ LYS 4 HZ1 LYS 4 9.454 1.274 -4.077
39 2HZ LYS 4 HZ2 LYS 4 10.341 -0.058 -4.647
40 3HZ LYS 4 HZ3 LYS 4 10.450 0.404 -3.016
41 H ILE 5 HN ILE 5 3.484 -2.498 -2.670
42 HA ILE 5 HA ILE 5 1.103 -2.525 -4.497
43 HB ILE 5 HB ILE 5 2.915 -4.342 -4.675
44 1HG1 ILE 5 HG12 ILE 5 0.458 -4.482 -5.423
45 2HG1 ILE 5 HG11 ILE 5 1.298 -6.012 -5.178
46 1HG2 ILE 5 HG21 ILE 5 2.823 -6.116 -2.980
47 2HG2 ILE 5 HG22 ILE 5 1.626 -5.197 -2.066
48 3HG2 ILE 5 HG23 ILE 5 3.270 -4.581 -2.235
49 1HD1 ILE 5 HD11 ILE 5 -1.092 -5.118 -3.921
50 2HD1 ILE 5 HD12 ILE 5 0.155 -5.182 -2.677
51 3HD1 ILE 5 HD13 ILE 5 -0.214 -6.618 -3.629
52 H TRP 6 HN TRP 6 2.297 -2.582 -1.225
53 HA TRP 6 HA TRP 6 -0.430 -3.186 -0.163
54 1HB TRP 6 HB2 TRP 6 1.886 -4.277 0.506
55 2HB TRP 6 HB1 TRP 6 2.049 -2.825 1.493
56 HD1 TRP 6 HD1 TRP 6 1.178 -3.148 3.846
57 HE1 TRP 6 HE1 TRP 6 -0.688 -4.534 4.961
58 HE3 TRP 6 HE3 TRP 6 -0.760 -5.485 -0.261
59 HZ2 TRP 6 HZ2 TRP 6 -2.732 -6.389 4.210
60 HZ3 TRP 6 HZ3 TRP 6 -2.664 -7.054 -0.033
61 HH2 TRP 6 HH2 TRP 6 -3.652 -7.510 2.195
62 H LYS 7 HN LYS 7 1.565 -0.557 -0.918
63 HA LYS 7 HA LYS 7 1.009 1.213 1.293
64 1HB LYS 7 HB2 LYS 7 2.092 1.321 -1.476
65 2HB LYS 7 HB1 LYS 7 1.501 2.845 -0.812
66 1HG LYS 7 HG2 LYS 7 3.206 1.183 0.974
67 2HG LYS 7 HG1 LYS 7 4.011 1.966 -0.387
68 1HD LYS 7 HD2 LYS 7 3.777 4.035 0.513
69 2HD LYS 7 HD1 LYS 7 2.125 3.715 1.043
70 1HE LYS 7 HE2 LYS 7 3.709 2.057 2.663
71 2HE LYS 7 HE1 LYS 7 4.583 3.601 2.593
72 1HZ LYS 7 HZ1 LYS 7 2.916 3.733 4.303
73 2HZ LYS 7 HZ2 LYS 7 1.704 3.220 3.228
74 3HZ LYS 7 HZ3 LYS 7 2.449 4.732 3.014
75 HA PRO 8 HA PRO 8 -2.659 2.599 -1.230
76 1HB PRO 8 HB2 PRO 8 -3.190 1.540 -3.696
77 2HB PRO 8 HB1 PRO 8 -2.040 2.869 -3.444
78 1HG PRO 8 HG2 PRO 8 -1.521 -0.033 -3.839
79 2HG PRO 8 HG1 PRO 8 -0.635 1.368 -4.461
80 1HD PRO 8 HD2 PRO 8 0.204 -0.108 -2.335
81 2HD PRO 8 HD1 PRO 8 0.586 1.615 -2.544
82 H ILE 9 HN ILE 9 -2.145 -0.878 -1.747
83 HA ILE 9 HA ILE 9 -4.851 -1.737 -1.841
84 HB ILE 9 HB ILE 9 -2.238 -2.931 -0.907
85 1HG1 ILE 9 HG12 ILE 9 -2.701 -2.482 -3.345
86 2HG1 ILE 9 HG11 ILE 9 -2.412 -4.182 -2.976
87 1HG2 ILE 9 HG21 ILE 9 -3.531 -5.146 -0.995
88 2HG2 ILE 9 HG22 ILE 9 -4.997 -4.170 -0.892
89 3HG2 ILE 9 HG23 ILE 9 -3.816 -4.129 0.417
90 1HD1 ILE 9 HD11 ILE 9 -5.098 -2.842 -3.389
91 2HD1 ILE 9 HD12 ILE 9 -4.903 -4.497 -2.812
92 3HD1 ILE 9 HD13 ILE 9 -4.347 -4.054 -4.426
93 H LYS 10 HN LYS 10 -2.673 -1.378 0.984
94 HA LYS 10 HA LYS 10 -4.660 -2.146 2.932
95 1HB LYS 10 HB2 LYS 10 -2.237 -2.265 3.301
96 2HB LYS 10 HB1 LYS 10 -2.107 -0.515 3.113
97 1HG LYS 10 HG2 LYS 10 -3.997 -1.613 5.165
98 2HG LYS 10 HG1 LYS 10 -2.271 -1.578 5.526
99 1HD LYS 10 HD2 LYS 10 -2.418 0.898 4.669
100 2HD LYS 10 HD1 LYS 10 -4.139 0.718 5.009
101 1HE LYS 10 HE2 LYS 10 -3.764 0.340 7.321
102 2HE LYS 10 HE1 LYS 10 -2.043 -0.012 7.067
103 1HZ LYS 10 HZ1 LYS 10 -3.002 2.551 6.079
104 2HZ LYS 10 HZ2 LYS 10 -1.529 2.160 6.828
105 3HZ LYS 10 HZ3 LYS 10 -2.926 2.394 7.766
106 H LYS 11 HN LYS 11 -3.758 0.911 1.431
107 HA LYS 11 HA LYS 11 -4.975 2.733 3.241
108 1HB LYS 11 HB2 LYS 11 -3.885 2.649 0.562
109 2HB LYS 11 HB1 LYS 11 -5.322 3.672 0.597
110 1HG LYS 11 HG2 LYS 11 -4.014 4.402 2.917
111 2HG LYS 11 HG1 LYS 11 -2.680 4.123 1.796
112 1HD LYS 11 HD2 LYS 11 -3.108 6.234 1.078
113 2HD LYS 11 HD1 LYS 11 -4.460 5.498 0.218
114 1HE LYS 11 HE2 LYS 11 -6.014 6.390 1.645
115 2HE LYS 11 HE1 LYS 11 -4.980 6.155 3.068
116 1HZ LYS 11 HZ1 LYS 11 -3.541 7.946 2.220
117 2HZ LYS 11 HZ2 LYS 11 -5.110 8.493 2.576
118 3HZ LYS 11 HZ3 LYS 11 -4.645 8.227 0.963
119 H LEU 12 HN LEU 12 -6.359 1.107 0.364
120 HA LEU 12 HA LEU 12 -9.013 1.019 1.575
121 1HB LEU 12 HB2 LEU 12 -10.017 2.589 -0.085
122 2HB LEU 12 HB1 LEU 12 -8.846 3.391 0.962
123 HG LEU 12 HG LEU 12 -7.420 2.316 -1.262
124 1HD1 LEU 12 HD11 LEU 12 -8.799 4.108 -2.813
125 2HD1 LEU 12 HD12 LEU 12 -10.107 3.355 -1.899
126 3HD1 LEU 12 HD13 LEU 12 -9.025 2.360 -2.873
127 1HD2 LEU 12 HD21 LEU 12 -8.128 5.221 -0.994
128 2HD2 LEU 12 HD22 LEU 12 -6.571 4.483 -1.370
129 3HD2 LEU 12 HD23 LEU 12 -7.184 4.453 0.283
130 H PHE 13 HN PHE 13 -7.909 -1.187 0.755
131 HA PHE 13 HA PHE 13 -7.767 -1.915 -1.955
132 1HB PHE 13 HB2 PHE 13 -8.517 -4.213 -0.936
133 2HB PHE 13 HB1 PHE 13 -7.005 -3.489 -0.402
134 HD1 PHE 13 HD1 PHE 13 -10.247 -2.049 0.629
135 HD2 PHE 13 HD2 PHE 13 -7.044 -4.695 1.727
136 HE1 PHE 13 HE1 PHE 13 -11.062 -2.065 2.966
137 HE2 PHE 13 HE2 PHE 13 -7.860 -4.705 4.067
138 HZ PHE 13 HZ PHE 13 -9.868 -3.391 4.687
139 1HN NH2 14 HN1 NH2 14 -9.631 -0.673 -2.966
140 2HN NH2 14 HN2 NH2 14 -11.183 -1.362 -2.943
Start of MODEL 5
1 1H ILE 1 HT1 ILE 1 11.552 -2.841 2.654
2 2H ILE 1 HT2 ILE 1 11.198 -2.305 1.081
3 3H ILE 1 HT3 ILE 1 11.689 -3.909 1.344
4 HA ILE 1 HA ILE 1 9.473 -4.323 1.244
5 HB ILE 1 HB ILE 1 8.647 -4.401 3.549
6 1HG1 ILE 1 HG12 ILE 1 10.961 -2.706 4.449
7 2HG1 ILE 1 HG11 ILE 1 9.484 -1.922 3.889
8 1HG2 ILE 1 HG21 ILE 1 11.391 -4.749 4.343
9 2HG2 ILE 1 HG22 ILE 1 11.193 -5.307 2.682
10 3HG2 ILE 1 HG23 ILE 1 10.191 -5.985 3.965
11 1HD1 ILE 1 HD11 ILE 1 9.781 -3.874 6.181
12 2HD1 ILE 1 HD12 ILE 1 8.215 -3.425 5.505
13 3HD1 ILE 1 HD13 ILE 1 9.236 -2.198 6.255
14 H LEU 2 HN LEU 2 9.746 -1.803 0.023
15 HA LEU 2 HA LEU 2 7.913 0.115 1.275
16 1HB LEU 2 HB2 LEU 2 8.445 1.399 -0.761
17 2HB LEU 2 HB1 LEU 2 9.917 0.735 -0.056
18 HG LEU 2 HG LEU 2 8.776 -1.195 -1.859
19 1HD1 LEU 2 HD11 LEU 2 9.577 0.645 -3.789
20 2HD1 LEU 2 HD12 LEU 2 8.570 1.596 -2.698
21 3HD1 LEU 2 HD13 LEU 2 7.917 0.147 -3.462
22 1HD2 LEU 2 HD21 LEU 2 11.200 0.190 -2.732
23 2HD2 LEU 2 HD22 LEU 2 10.984 -1.496 -2.260
24 3HD2 LEU 2 HD23 LEU 2 11.269 -0.265 -1.029
25 H GLY 3 HN GLY 3 6.808 0.814 -1.443
26 1HA GLY 3 HA2 GLY 3 5.379 -0.894 -2.908
27 2HA GLY 3 HA1 GLY 3 4.540 -1.092 -1.369
28 H LYS 4 HN LYS 4 5.211 1.143 -3.992
29 HA LYS 4 HA LYS 4 3.920 3.470 -2.964
30 1HB LYS 4 HB2 LYS 4 5.341 3.453 -4.946
31 2HB LYS 4 HB1 LYS 4 4.231 2.358 -5.771
32 1HG LYS 4 HG2 LYS 4 3.996 4.806 -6.408
33 2HG LYS 4 HG1 LYS 4 2.511 4.030 -5.858
34 1HD LYS 4 HD2 LYS 4 2.909 4.935 -3.577
35 2HD LYS 4 HD1 LYS 4 4.343 5.767 -4.179
36 1HE LYS 4 HE2 LYS 4 1.469 6.231 -5.050
37 2HE LYS 4 HE1 LYS 4 2.539 7.378 -4.218
38 1HZ LYS 4 HZ1 LYS 4 2.833 6.269 -6.952
39 2HZ LYS 4 HZ2 LYS 4 4.114 7.029 -6.135
40 3HZ LYS 4 HZ3 LYS 4 2.701 7.898 -6.499
41 H ILE 5 HN ILE 5 2.634 0.467 -4.205
42 HA ILE 5 HA ILE 5 -0.132 1.555 -3.837
43 HB ILE 5 HB ILE 5 -0.761 0.284 -5.875
44 1HG1 ILE 5 HG12 ILE 5 2.188 -0.129 -6.366
45 2HG1 ILE 5 HG11 ILE 5 1.234 -1.340 -5.508
46 1HG2 ILE 5 HG21 ILE 5 0.069 2.691 -5.941
47 2HG2 ILE 5 HG22 ILE 5 0.206 1.803 -7.459
48 3HG2 ILE 5 HG23 ILE 5 1.631 2.049 -6.449
49 1HD1 ILE 5 HD11 ILE 5 0.538 -0.241 -8.247
50 2HD1 ILE 5 HD12 ILE 5 -0.286 -1.549 -7.399
51 3HD1 ILE 5 HD13 ILE 5 1.368 -1.772 -7.969
52 H TRP 6 HN TRP 6 1.626 -0.127 -2.095
53 HA TRP 6 HA TRP 6 -0.117 -2.564 -1.981
54 1HB TRP 6 HB2 TRP 6 2.775 -2.210 -2.211
55 2HB TRP 6 HB1 TRP 6 2.339 -3.214 -0.828
56 HD1 TRP 6 HD1 TRP 6 3.535 -3.990 -3.911
57 HE1 TRP 6 HE1 TRP 6 2.390 -5.991 -5.064
58 HE3 TRP 6 HE3 TRP 6 -0.797 -4.201 -1.216
59 HZ2 TRP 6 HZ2 TRP 6 -0.042 -7.484 -4.869
60 HZ3 TRP 6 HZ3 TRP 6 -2.509 -5.920 -1.719
61 HH2 TRP 6 HH2 TRP 6 -2.137 -7.561 -3.541
62 H LYS 7 HN LYS 7 1.931 -0.300 -0.164
63 HA LYS 7 HA LYS 7 1.060 -1.252 2.448
64 1HB LYS 7 HB2 LYS 7 3.119 0.258 1.411
65 2HB LYS 7 HB1 LYS 7 2.119 1.487 2.186
66 1HG LYS 7 HG2 LYS 7 3.804 0.550 3.750
67 2HG LYS 7 HG1 LYS 7 2.156 0.226 4.289
68 1HD LYS 7 HD2 LYS 7 2.823 -1.923 2.599
69 2HD LYS 7 HD1 LYS 7 4.247 -1.656 3.605
70 1HE LYS 7 HE2 LYS 7 2.117 -1.409 5.397
71 2HE LYS 7 HE1 LYS 7 1.659 -2.773 4.358
72 1HZ LYS 7 HZ1 LYS 7 4.117 -3.435 4.616
73 2HZ LYS 7 HZ2 LYS 7 3.056 -3.759 5.903
74 3HZ LYS 7 HZ3 LYS 7 4.103 -2.422 5.976
75 HA PRO 8 HA PRO 8 -1.886 2.344 2.114
76 1HB PRO 8 HB2 PRO 8 -2.092 3.794 -0.192
77 2HB PRO 8 HB1 PRO 8 -0.868 4.126 1.049
78 1HG PRO 8 HG2 PRO 8 -0.603 2.688 -1.537
79 2HG PRO 8 HG1 PRO 8 0.531 3.781 -0.730
80 1HD PRO 8 HD2 PRO 8 0.772 1.063 -0.716
81 2HD PRO 8 HD1 PRO 8 1.418 2.119 0.557
82 H ILE 9 HN ILE 9 -1.653 0.344 -0.746
83 HA ILE 9 HA ILE 9 -4.095 0.514 -2.013
84 HB ILE 9 HB ILE 9 -2.065 -1.126 -2.198
85 1HG1 ILE 9 HG12 ILE 9 -4.940 -1.898 -2.758
86 2HG1 ILE 9 HG11 ILE 9 -3.807 -1.114 -3.860
87 1HG2 ILE 9 HG21 ILE 9 -3.969 -2.720 -0.459
88 2HG2 ILE 9 HG22 ILE 9 -2.345 -2.197 -0.013
89 3HG2 ILE 9 HG23 ILE 9 -2.567 -3.383 -1.298
90 1HD1 ILE 9 HD11 ILE 9 -3.822 -3.967 -2.891
91 2HD1 ILE 9 HD12 ILE 9 -2.336 -3.229 -3.490
92 3HD1 ILE 9 HD13 ILE 9 -3.742 -3.364 -4.546
93 H LYS 10 HN LYS 10 -3.482 -1.185 1.065
94 HA LYS 10 HA LYS 10 -6.391 -1.676 1.406
95 1HB LYS 10 HB2 LYS 10 -4.509 -3.363 1.805
96 2HB LYS 10 HB1 LYS 10 -4.090 -2.409 3.229
97 1HG LYS 10 HG2 LYS 10 -6.958 -3.069 2.993
98 2HG LYS 10 HG1 LYS 10 -5.901 -4.459 3.239
99 1HD LYS 10 HD2 LYS 10 -5.171 -2.206 4.948
100 2HD LYS 10 HD1 LYS 10 -6.826 -2.746 5.228
101 1HE LYS 10 HE2 LYS 10 -5.489 -5.146 5.042
102 2HE LYS 10 HE1 LYS 10 -4.292 -4.114 5.849
103 1HZ LYS 10 HZ1 LYS 10 -6.333 -3.301 7.181
104 2HZ LYS 10 HZ2 LYS 10 -5.613 -4.780 7.605
105 3HZ LYS 10 HZ3 LYS 10 -7.043 -4.759 6.687
106 H LYS 11 HN LYS 11 -3.747 0.193 2.834
107 HA LYS 11 HA LYS 11 -5.219 1.128 5.141
108 1HB LYS 11 HB2 LYS 11 -2.653 1.567 3.761
109 2HB LYS 11 HB1 LYS 11 -3.258 2.992 4.607
110 1HG LYS 11 HG2 LYS 11 -2.369 2.069 6.472
111 2HG LYS 11 HG1 LYS 11 -3.733 0.952 6.418
112 1HD LYS 11 HD2 LYS 11 -2.393 -0.585 4.998
113 2HD LYS 11 HD1 LYS 11 -1.021 0.515 5.134
114 1HE LYS 11 HE2 LYS 11 -0.755 -1.245 6.804
115 2HE LYS 11 HE1 LYS 11 -1.178 0.254 7.655
116 1HZ LYS 11 HZ1 LYS 11 -2.555 -1.723 8.285
117 2HZ LYS 11 HZ2 LYS 11 -3.191 -1.711 6.710
118 3HZ LYS 11 HZ3 LYS 11 -3.445 -0.385 7.741
119 H LEU 12 HN LEU 12 -4.658 2.443 1.877
120 HA LEU 12 HA LEU 12 -6.450 4.746 2.503
121 1HB LEU 12 HB2 LEU 12 -4.307 4.086 0.513
122 2HB LEU 12 HB1 LEU 12 -5.515 5.294 0.073
123 HG LEU 12 HG LEU 12 -3.910 5.374 2.642
124 1HD1 LEU 12 HD11 LEU 12 -2.368 5.683 0.809
125 2HD1 LEU 12 HD12 LEU 12 -2.714 7.275 1.483
126 3HD1 LEU 12 HD13 LEU 12 -3.488 6.765 -0.018
127 1HD2 LEU 12 HD21 LEU 12 -4.711 7.854 2.376
128 2HD2 LEU 12 HD22 LEU 12 -5.850 6.652 2.983
129 3HD2 LEU 12 HD23 LEU 12 -5.924 7.165 1.298
130 H PHE 13 HN PHE 13 -6.858 1.668 1.491
131 HA PHE 13 HA PHE 13 -9.326 2.327 0.010
132 1HB PHE 13 HB2 PHE 13 -6.894 1.895 -1.318
133 2HB PHE 13 HB1 PHE 13 -7.760 0.366 -1.469
134 HD1 PHE 13 HD1 PHE 13 -7.113 2.863 -3.470
135 HD2 PHE 13 HD2 PHE 13 -10.581 1.326 -1.454
136 HE1 PHE 13 HE1 PHE 13 -8.567 3.856 -5.216
137 HE2 PHE 13 HE2 PHE 13 -12.035 2.320 -3.200
138 HZ PHE 13 HZ PHE 13 -11.028 3.585 -5.081
139 1HN NH2 14 HN1 NH2 14 -10.587 1.082 1.507
140 2HN NH2 14 HN2 NH2 14 -10.355 -0.578 1.772
Start of MODEL 6
1 1H ILE 1 HT1 ILE 1 -7.505 4.748 -4.214
2 2H ILE 1 HT2 ILE 1 -8.065 3.160 -4.443
3 3H ILE 1 HT3 ILE 1 -7.066 3.888 -5.609
4 HA ILE 1 HA ILE 1 -5.161 3.632 -4.367
5 HB ILE 1 HB ILE 1 -5.426 3.354 -1.840
6 1HG1 ILE 1 HG12 ILE 1 -8.173 4.474 -2.101
7 2HG1 ILE 1 HG11 ILE 1 -7.996 2.745 -2.404
8 1HG2 ILE 1 HG21 ILE 1 -5.302 5.590 -3.386
9 2HG2 ILE 1 HG22 ILE 1 -5.301 5.624 -1.622
10 3HG2 ILE 1 HG23 ILE 1 -6.802 5.891 -2.509
11 1HD1 ILE 1 HD11 ILE 1 -7.148 4.243 0.091
12 2HD1 ILE 1 HD12 ILE 1 -6.775 2.547 -0.221
13 3HD1 ILE 1 HD13 ILE 1 -8.452 3.063 -0.041
14 H LEU 2 HN LEU 2 -5.088 1.624 -5.568
15 HA LEU 2 HA LEU 2 -6.522 -0.749 -4.962
16 1HB LEU 2 HB2 LEU 2 -3.736 -0.279 -6.072
17 2HB LEU 2 HB1 LEU 2 -4.600 -1.814 -6.176
18 HG LEU 2 HG LEU 2 -5.562 0.827 -7.316
19 1HD1 LEU 2 HD11 LEU 2 -4.592 0.243 -9.276
20 2HD1 LEU 2 HD12 LEU 2 -5.122 -1.433 -9.128
21 3HD1 LEU 2 HD13 LEU 2 -3.642 -0.902 -8.329
22 1HD2 LEU 2 HD21 LEU 2 -7.231 -0.786 -8.435
23 2HD2 LEU 2 HD22 LEU 2 -7.486 -0.441 -6.724
24 3HD2 LEU 2 HD23 LEU 2 -6.733 -1.958 -7.215
25 H GLY 3 HN GLY 3 -5.838 -2.638 -3.743
26 1HA GLY 3 HA2 GLY 3 -5.052 -3.648 -1.773
27 2HA GLY 3 HA1 GLY 3 -3.509 -2.905 -2.197
28 H LYS 4 HN LYS 4 -6.447 -2.517 -0.315
29 HA LYS 4 HA LYS 4 -5.762 0.101 0.757
30 1HB LYS 4 HB2 LYS 4 -7.767 -2.074 1.211
31 2HB LYS 4 HB1 LYS 4 -7.561 -0.868 2.482
32 1HG LYS 4 HG2 LYS 4 -8.144 0.921 1.027
33 2HG LYS 4 HG1 LYS 4 -7.965 -0.088 -0.409
34 1HD LYS 4 HD2 LYS 4 -9.984 -1.182 -0.062
35 2HD LYS 4 HD1 LYS 4 -9.957 -0.896 1.679
36 1HE LYS 4 HE2 LYS 4 -11.660 0.555 0.743
37 2HE LYS 4 HE1 LYS 4 -10.274 1.587 1.151
38 1HZ LYS 4 HZ1 LYS 4 -9.485 1.442 -1.089
39 2HZ LYS 4 HZ2 LYS 4 -11.110 1.935 -1.142
40 3HZ LYS 4 HZ3 LYS 4 -10.694 0.329 -1.507
41 H ILE 5 HN ILE 5 -4.417 -2.937 1.241
42 HA ILE 5 HA ILE 5 -3.330 -2.091 3.901
43 HB ILE 5 HB ILE 5 -5.222 -3.790 3.998
44 1HG1 ILE 5 HG12 ILE 5 -3.623 -5.484 5.314
45 2HG1 ILE 5 HG11 ILE 5 -2.460 -4.180 5.074
46 1HG2 ILE 5 HG21 ILE 5 -5.147 -5.609 2.674
47 2HG2 ILE 5 HG22 ILE 5 -3.566 -6.053 3.318
48 3HG2 ILE 5 HG23 ILE 5 -3.681 -4.966 1.934
49 1HD1 ILE 5 HD11 ILE 5 -5.024 -4.166 6.631
50 2HD1 ILE 5 HD12 ILE 5 -4.445 -2.660 5.919
51 3HD1 ILE 5 HD13 ILE 5 -3.442 -3.529 7.081
52 H TRP 6 HN TRP 6 -2.598 -2.726 0.777
53 HA TRP 6 HA TRP 6 0.068 -3.906 1.479
54 1HB TRP 6 HB2 TRP 6 -1.349 -5.517 0.316
55 2HB TRP 6 HB1 TRP 6 -1.712 -4.332 -0.940
56 HD1 TRP 6 HD1 TRP 6 -0.390 -4.823 -3.041
57 HE1 TRP 6 HE1 TRP 6 1.988 -5.657 -3.584
58 HE3 TRP 6 HE3 TRP 6 1.391 -5.552 1.689
59 HZ2 TRP 6 HZ2 TRP 6 4.336 -6.520 -2.195
60 HZ3 TRP 6 HZ3 TRP 6 3.699 -6.380 2.050
61 HH2 TRP 6 HH2 TRP 6 5.172 -6.864 0.116
62 H LYS 7 HN LYS 7 -1.725 -1.875 -0.830
63 HA LYS 7 HA LYS 7 0.449 -0.830 -2.303
64 1HB LYS 7 HB2 LYS 7 -1.769 -0.423 -3.036
65 2HB LYS 7 HB1 LYS 7 -2.260 0.211 -1.466
66 1HG LYS 7 HG2 LYS 7 -1.321 2.280 -1.849
67 2HG LYS 7 HG1 LYS 7 -0.049 1.627 -2.882
68 1HD LYS 7 HD2 LYS 7 -2.292 1.031 -4.341
69 2HD LYS 7 HD1 LYS 7 -2.751 2.563 -3.597
70 1HE LYS 7 HE2 LYS 7 -0.600 3.560 -4.411
71 2HE LYS 7 HE1 LYS 7 -0.266 2.040 -5.265
72 1HZ LYS 7 HZ1 LYS 7 -2.784 3.579 -5.578
73 2HZ LYS 7 HZ2 LYS 7 -2.269 2.248 -6.500
74 3HZ LYS 7 HZ3 LYS 7 -1.461 3.738 -6.627
75 HA PRO 8 HA PRO 8 0.843 2.562 0.982
76 1HB PRO 8 HB2 PRO 8 -0.309 2.196 3.436
77 2HB PRO 8 HB1 PRO 8 -1.143 2.990 2.084
78 1HG PRO 8 HG2 PRO 8 -1.394 0.202 3.086
79 2HG PRO 8 HG1 PRO 8 -2.644 1.305 2.493
80 1HD PRO 8 HD2 PRO 8 -1.608 -0.713 1.001
81 2HD PRO 8 HD1 PRO 8 -2.248 0.789 0.301
82 H ILE 9 HN ILE 9 0.564 -0.701 2.400
83 HA ILE 9 HA ILE 9 2.747 -0.418 4.262
84 HB ILE 9 HB ILE 9 1.259 -2.697 2.954
85 1HG1 ILE 9 HG12 ILE 9 0.561 -3.044 5.350
86 2HG1 ILE 9 HG11 ILE 9 1.448 -1.577 5.767
87 1HG2 ILE 9 HG21 ILE 9 3.600 -2.848 4.872
88 2HG2 ILE 9 HG22 ILE 9 3.474 -3.591 3.277
89 3HG2 ILE 9 HG23 ILE 9 2.476 -4.181 4.606
90 1HD1 ILE 9 HD11 ILE 9 0.009 -0.206 4.476
91 2HD1 ILE 9 HD12 ILE 9 -1.075 -1.327 5.299
92 3HD1 ILE 9 HD13 ILE 9 -0.659 -1.587 3.605
93 H LYS 10 HN LYS 10 2.650 -0.752 0.845
94 HA LYS 10 HA LYS 10 5.259 -2.077 0.579
95 1HB LYS 10 HB2 LYS 10 3.383 -2.368 -1.017
96 2HB LYS 10 HB1 LYS 10 3.456 -0.648 -1.403
97 1HG LYS 10 HG2 LYS 10 5.985 -2.217 -1.630
98 2HG LYS 10 HG1 LYS 10 4.756 -2.468 -2.871
99 1HD LYS 10 HD2 LYS 10 4.807 0.293 -2.569
100 2HD LYS 10 HD1 LYS 10 6.505 -0.164 -2.431
101 1HE LYS 10 HE2 LYS 10 5.937 -1.680 -4.539
102 2HE LYS 10 HE1 LYS 10 4.648 -0.480 -4.764
103 1HZ LYS 10 HZ1 LYS 10 7.072 -0.034 -5.645
104 2HZ LYS 10 HZ2 LYS 10 7.320 0.478 -4.044
105 3HZ LYS 10 HZ3 LYS 10 6.128 1.219 -5.001
106 H LYS 11 HN LYS 11 4.003 1.195 0.692
107 HA LYS 11 HA LYS 11 6.672 2.287 -0.102
108 1HB LYS 11 HB2 LYS 11 3.890 2.986 -0.503
109 2HB LYS 11 HB1 LYS 11 4.751 4.330 0.247
110 1HG LYS 11 HG2 LYS 11 6.200 4.587 -1.546
111 2HG LYS 11 HG1 LYS 11 6.047 2.901 -2.044
112 1HD LYS 11 HD2 LYS 11 3.468 3.812 -2.330
113 2HD LYS 11 HD1 LYS 11 4.409 5.231 -2.789
114 1HE LYS 11 HE2 LYS 11 5.287 2.598 -3.904
115 2HE LYS 11 HE1 LYS 11 3.823 3.337 -4.585
116 1HZ LYS 11 HZ1 LYS 11 4.959 5.289 -5.111
117 2HZ LYS 11 HZ2 LYS 11 6.050 4.066 -5.557
118 3HZ LYS 11 HZ3 LYS 11 6.273 4.919 -4.105
119 H LEU 12 HN LEU 12 4.362 2.079 2.542
120 HA LEU 12 HA LEU 12 5.797 4.060 4.191
121 1HB LEU 12 HB2 LEU 12 3.397 2.249 4.489
122 2HB LEU 12 HB1 LEU 12 4.021 3.171 5.857
123 HG LEU 12 HG LEU 12 3.385 4.484 3.213
124 1HD1 LEU 12 HD11 LEU 12 1.524 3.281 5.000
125 2HD1 LEU 12 HD12 LEU 12 1.178 4.321 3.618
126 3HD1 LEU 12 HD13 LEU 12 1.405 5.027 5.218
127 1HD2 LEU 12 HD21 LEU 12 3.234 6.490 4.662
128 2HD2 LEU 12 HD22 LEU 12 4.815 5.719 4.796
129 3HD2 LEU 12 HD23 LEU 12 3.614 5.494 6.067
130 H PHE 13 HN PHE 13 6.090 0.737 3.480
131 HA PHE 13 HA PHE 13 6.731 -0.619 5.790
132 1HB PHE 13 HB2 PHE 13 8.147 -1.949 4.392
133 2HB PHE 13 HB1 PHE 13 6.910 -1.291 3.323
134 HD1 PHE 13 HD1 PHE 13 10.342 -1.831 3.637
135 HD2 PHE 13 HD2 PHE 13 7.543 1.181 2.394
136 HE1 PHE 13 HE1 PHE 13 12.103 -0.764 2.256
137 HE2 PHE 13 HE2 PHE 13 9.304 2.248 1.014
138 HZ PHE 13 HZ PHE 13 11.584 1.276 0.944
139 1HN NH2 14 HN1 NH2 14 8.704 -0.805 7.116
140 2HN NH2 14 HN2 NH2 14 9.843 0.452 7.186
Start of MODEL 7
1 1H ILE 1 HT1 ILE 1 7.800 3.779 -2.552
2 2H ILE 1 HT2 ILE 1 7.207 2.231 -2.924
3 3H ILE 1 HT3 ILE 1 7.866 3.208 -4.148
4 HA ILE 1 HA ILE 1 9.633 1.805 -3.742
5 HB ILE 1 HB ILE 1 9.733 4.217 -1.911
6 1HG1 ILE 1 HG12 ILE 1 10.767 3.635 -4.704
7 2HG1 ILE 1 HG11 ILE 1 9.468 4.748 -4.272
8 1HG2 ILE 1 HG21 ILE 1 11.748 3.561 -1.156
9 2HG2 ILE 1 HG22 ILE 1 12.321 3.338 -2.809
10 3HG2 ILE 1 HG23 ILE 1 11.519 2.012 -1.967
11 1HD1 ILE 1 HD11 ILE 1 11.503 6.030 -4.636
12 2HD1 ILE 1 HD12 ILE 1 12.392 5.002 -3.511
13 3HD1 ILE 1 HD13 ILE 1 11.113 6.062 -2.916
14 H LEU 2 HN LEU 2 7.736 2.481 -0.858
15 HA LEU 2 HA LEU 2 8.898 0.021 0.406
16 1HB LEU 2 HB2 LEU 2 8.320 2.773 1.502
17 2HB LEU 2 HB1 LEU 2 8.408 1.375 2.574
18 HG LEU 2 HG LEU 2 10.632 1.425 0.694
19 1HD1 LEU 2 HD11 LEU 2 10.524 3.698 2.689
20 2HD1 LEU 2 HD12 LEU 2 10.132 3.910 0.983
21 3HD1 LEU 2 HD13 LEU 2 11.751 3.399 1.458
22 1HD2 LEU 2 HD21 LEU 2 10.593 0.044 2.705
23 2HD2 LEU 2 HD22 LEU 2 10.382 1.472 3.718
24 3HD2 LEU 2 HD23 LEU 2 11.896 1.224 2.848
25 H GLY 3 HN GLY 3 7.355 -1.410 1.169
26 1HA GLY 3 HA2 GLY 3 5.236 -2.130 1.979
27 2HA GLY 3 HA1 GLY 3 4.623 -0.493 1.754
28 H LYS 4 HN LYS 4 5.495 -3.450 0.012
29 HA LYS 4 HA LYS 4 4.411 -2.584 -2.535
30 1HB LYS 4 HB2 LYS 4 4.812 -4.927 -3.121
31 2HB LYS 4 HB1 LYS 4 6.163 -4.330 -2.159
32 1HG LYS 4 HG2 LYS 4 4.703 -5.234 -0.142
33 2HG LYS 4 HG1 LYS 4 3.998 -6.255 -1.396
34 1HD LYS 4 HD2 LYS 4 6.809 -6.294 -1.791
35 2HD LYS 4 HD1 LYS 4 6.531 -6.547 -0.067
36 1HE LYS 4 HE2 LYS 4 4.663 -8.221 -0.928
37 2HE LYS 4 HE1 LYS 4 5.672 -8.245 -2.388
38 1HZ LYS 4 HZ1 LYS 4 6.215 -9.784 -0.334
39 2HZ LYS 4 HZ2 LYS 4 7.012 -8.385 0.210
40 3HZ LYS 4 HZ3 LYS 4 7.448 -9.093 -1.272
41 H ILE 5 HN ILE 5 2.954 -3.558 0.387
42 HA ILE 5 HA ILE 5 0.398 -4.171 -1.061
43 HB ILE 5 HB ILE 5 -0.043 -5.747 0.833
44 1HG1 ILE 5 HG12 ILE 5 2.704 -5.956 1.724
45 2HG1 ILE 5 HG11 ILE 5 2.096 -4.324 2.005
46 1HG2 ILE 5 HG21 ILE 5 2.595 -6.685 -0.083
47 2HG2 ILE 5 HG22 ILE 5 1.541 -6.126 -1.382
48 3HG2 ILE 5 HG23 ILE 5 1.004 -7.413 -0.303
49 1HD1 ILE 5 HD11 ILE 5 1.397 -6.811 3.360
50 2HD1 ILE 5 HD12 ILE 5 -0.028 -5.967 2.754
51 3HD1 ILE 5 HD13 ILE 5 1.085 -5.146 3.848
52 H TRP 6 HN TRP 6 2.003 -2.085 1.028
53 HA TRP 6 HA TRP 6 -0.376 -1.427 2.674
54 1HB TRP 6 HB2 TRP 6 1.976 -1.603 3.566
55 2HB TRP 6 HB1 TRP 6 2.401 -0.205 2.579
56 HD1 TRP 6 HD1 TRP 6 2.384 1.926 3.940
57 HE1 TRP 6 HE1 TRP 6 0.986 2.875 5.887
58 HE3 TRP 6 HE3 TRP 6 -0.821 -1.974 4.707
59 HZ2 TRP 6 HZ2 TRP 6 -1.202 2.083 7.551
60 HZ3 TRP 6 HZ3 TRP 6 -2.550 -1.851 6.478
61 HH2 TRP 6 HH2 TRP 6 -2.745 0.171 7.899
62 H LYS 7 HN LYS 7 1.258 -0.369 -0.196
63 HA LYS 7 HA LYS 7 0.363 2.392 -0.168
64 1HB LYS 7 HB2 LYS 7 1.617 0.440 -2.051
65 2HB LYS 7 HB1 LYS 7 0.881 1.883 -2.749
66 1HG LYS 7 HG2 LYS 7 2.260 3.328 -1.386
67 2HG LYS 7 HG1 LYS 7 2.885 1.951 -0.478
68 1HD LYS 7 HD2 LYS 7 4.607 2.133 -1.980
69 2HD LYS 7 HD1 LYS 7 3.527 1.153 -2.973
70 1HE LYS 7 HE2 LYS 7 2.955 2.928 -4.347
71 2HE LYS 7 HE1 LYS 7 3.184 4.130 -3.061
72 1HZ LYS 7 HZ1 LYS 7 5.236 2.720 -4.652
73 2HZ LYS 7 HZ2 LYS 7 5.613 3.370 -3.128
74 3HZ LYS 7 HZ3 LYS 7 5.070 4.385 -4.377
75 HA PRO 8 HA PRO 8 -3.129 0.711 -2.829
76 1HB PRO 8 HB2 PRO 8 -3.504 -1.985 -3.085
77 2HB PRO 8 HB1 PRO 8 -2.427 -1.055 -4.147
78 1HG PRO 8 HG2 PRO 8 -1.764 -2.776 -1.815
79 2HG PRO 8 HG1 PRO 8 -0.910 -2.578 -3.354
80 1HD PRO 8 HD2 PRO 8 -0.119 -1.395 -1.032
81 2HD PRO 8 HD1 PRO 8 0.217 -0.723 -2.641
82 H ILE 9 HN ILE 9 -2.508 -1.549 -0.129
83 HA ILE 9 HA ILE 9 -5.136 -2.157 0.641
84 HB ILE 9 HB ILE 9 -2.522 -1.734 2.079
85 1HG1 ILE 9 HG12 ILE 9 -4.299 -4.152 1.615
86 2HG1 ILE 9 HG11 ILE 9 -2.870 -3.740 0.665
87 1HG2 ILE 9 HG21 ILE 9 -3.698 -2.817 4.081
88 2HG2 ILE 9 HG22 ILE 9 -5.216 -2.367 3.304
89 3HG2 ILE 9 HG23 ILE 9 -4.070 -1.118 3.792
90 1HD1 ILE 9 HD11 ILE 9 -1.660 -3.709 2.990
91 2HD1 ILE 9 HD12 ILE 9 -1.997 -5.257 2.216
92 3HD1 ILE 9 HD13 ILE 9 -3.037 -4.677 3.516
93 H LYS 10 HN LYS 10 -3.307 0.829 1.137
94 HA LYS 10 HA LYS 10 -5.474 1.978 2.809
95 1HB LYS 10 HB2 LYS 10 -3.183 2.352 3.496
96 2HB LYS 10 HB1 LYS 10 -2.743 2.918 1.884
97 1HG LYS 10 HG2 LYS 10 -4.954 4.319 3.343
98 2HG LYS 10 HG1 LYS 10 -3.286 4.654 3.809
99 1HD LYS 10 HD2 LYS 10 -2.922 4.914 1.212
100 2HD LYS 10 HD1 LYS 10 -4.664 5.189 1.197
101 1HE LYS 10 HE2 LYS 10 -3.592 7.353 1.442
102 2HE LYS 10 HE1 LYS 10 -4.288 6.936 3.021
103 1HZ LYS 10 HZ1 LYS 10 -1.629 5.896 2.479
104 2HZ LYS 10 HZ2 LYS 10 -2.272 6.536 3.915
105 3HZ LYS 10 HZ3 LYS 10 -1.723 7.577 2.690
106 H LYS 11 HN LYS 11 -4.194 2.110 -0.453
107 HA LYS 11 HA LYS 11 -5.598 4.570 -1.192
108 1HB LYS 11 HB2 LYS 11 -3.852 2.496 -2.426
109 2HB LYS 11 HB1 LYS 11 -4.895 3.401 -3.524
110 1HG LYS 11 HG2 LYS 11 -3.646 5.168 -1.587
111 2HG LYS 11 HG1 LYS 11 -2.433 4.250 -2.480
112 1HD LYS 11 HD2 LYS 11 -2.708 5.844 -4.076
113 2HD LYS 11 HD1 LYS 11 -4.172 4.948 -4.482
114 1HE LYS 11 HE2 LYS 11 -5.535 6.402 -3.109
115 2HE LYS 11 HE1 LYS 11 -4.095 7.203 -2.448
116 1HZ LYS 11 HZ1 LYS 11 -3.677 8.282 -4.387
117 2HZ LYS 11 HZ2 LYS 11 -5.363 8.154 -4.550
118 3HZ LYS 11 HZ3 LYS 11 -4.343 7.059 -5.355
119 H LEU 12 HN LEU 12 -6.587 1.381 -0.670
120 HA LEU 12 HA LEU 12 -9.238 1.868 -1.753
121 1HB LEU 12 HB2 LEU 12 -9.119 0.266 -3.587
122 2HB LEU 12 HB1 LEU 12 -7.825 1.448 -3.790
123 HG LEU 12 HG LEU 12 -6.928 -0.736 -2.119
124 1HD1 LEU 12 HD11 LEU 12 -8.431 -1.406 -4.606
125 2HD1 LEU 12 HD12 LEU 12 -8.207 -2.357 -3.138
126 3HD1 LEU 12 HD13 LEU 12 -6.911 -2.258 -4.330
127 1HD2 LEU 12 HD21 LEU 12 -6.092 0.137 -4.903
128 2HD2 LEU 12 HD22 LEU 12 -5.118 -0.779 -3.752
129 3HD2 LEU 12 HD23 LEU 12 -5.538 0.900 -3.413
130 H PHE 13 HN PHE 13 -8.146 0.997 0.779
131 HA PHE 13 HA PHE 13 -9.847 -1.248 1.347
132 1HB PHE 13 HB2 PHE 13 -7.731 -2.052 -0.067
133 2HB PHE 13 HB1 PHE 13 -6.962 -2.028 1.520
134 HD1 PHE 13 HD1 PHE 13 -9.650 -3.538 -0.516
135 HD2 PHE 13 HD2 PHE 13 -7.620 -3.573 3.269
136 HE1 PHE 13 HE1 PHE 13 -10.735 -5.696 0.045
137 HE2 PHE 13 HE2 PHE 13 -8.706 -5.731 3.831
138 HZ PHE 13 HZ PHE 13 -10.263 -6.792 2.219
139 1HN NH2 14 HN1 NH2 14 -9.154 1.347 2.571
140 2HN NH2 14 HN2 NH2 14 -8.546 1.020 4.122
Start of MODEL 8
1 1H ILE 1 HT1 ILE 1 11.157 -2.270 2.695
2 2H ILE 1 HT2 ILE 1 12.653 -1.484 2.525
3 3H ILE 1 HT3 ILE 1 12.251 -2.782 1.505
4 HA ILE 1 HA ILE 1 11.986 -0.257 0.746
5 HB ILE 1 HB ILE 1 11.765 -2.249 -0.630
6 1HG1 ILE 1 HG12 ILE 1 9.420 -1.638 -1.722
7 2HG1 ILE 1 HG11 ILE 1 9.526 -0.258 -0.628
8 1HG2 ILE 1 HG21 ILE 1 8.990 -2.675 0.470
9 2HG2 ILE 1 HG22 ILE 1 10.392 -3.425 1.232
10 3HG2 ILE 1 HG23 ILE 1 9.994 -3.798 -0.445
11 1HD1 ILE 1 HD11 ILE 1 11.325 -0.998 -2.917
12 2HD1 ILE 1 HD12 ILE 1 11.965 -0.044 -1.579
13 3HD1 ILE 1 HD13 ILE 1 10.608 0.566 -2.527
14 H LEU 2 HN LEU 2 10.439 1.399 0.795
15 HA LEU 2 HA LEU 2 8.819 1.910 2.968
16 1HB LEU 2 HB2 LEU 2 8.852 2.666 0.090
17 2HB LEU 2 HB1 LEU 2 7.394 3.085 0.991
18 HG LEU 2 HG LEU 2 9.618 3.734 2.642
19 1HD1 LEU 2 HD11 LEU 2 10.521 3.746 0.061
20 2HD1 LEU 2 HD12 LEU 2 11.150 4.795 1.332
21 3HD1 LEU 2 HD13 LEU 2 9.922 5.397 0.218
22 1HD2 LEU 2 HD21 LEU 2 7.971 5.686 1.029
23 2HD2 LEU 2 HD22 LEU 2 8.598 5.874 2.666
24 3HD2 LEU 2 HD23 LEU 2 7.261 4.767 2.356
25 H GLY 3 HN GLY 3 6.930 1.387 0.060
26 1HA GLY 3 HA2 GLY 3 5.758 -1.099 0.479
27 2HA GLY 3 HA1 GLY 3 4.872 -0.013 1.547
28 H LYS 4 HN LYS 4 5.892 -0.369 -1.839
29 HA LYS 4 HA LYS 4 3.920 1.583 -2.785
30 1HB LYS 4 HB2 LYS 4 5.579 -0.463 -4.292
31 2HB LYS 4 HB1 LYS 4 4.861 1.006 -4.953
32 1HG LYS 4 HG2 LYS 4 6.414 1.757 -2.683
33 2HG LYS 4 HG1 LYS 4 7.409 0.699 -3.683
34 1HD LYS 4 HD2 LYS 4 6.174 2.321 -5.553
35 2HD LYS 4 HD1 LYS 4 6.477 3.428 -4.214
36 1HE LYS 4 HE2 LYS 4 8.450 3.457 -5.621
37 2HE LYS 4 HE1 LYS 4 8.870 2.523 -4.171
38 1HZ LYS 4 HZ1 LYS 4 9.397 1.434 -6.376
39 2HZ LYS 4 HZ2 LYS 4 7.720 1.264 -6.595
40 3HZ LYS 4 HZ3 LYS 4 8.491 0.504 -5.285
41 H ILE 5 HN ILE 5 3.590 -1.497 -1.623
42 HA ILE 5 HA ILE 5 1.280 -2.076 -3.451
43 HB ILE 5 HB ILE 5 1.850 -4.496 -2.829
44 1HG1 ILE 5 HG12 ILE 5 4.442 -3.186 -1.950
45 2HG1 ILE 5 HG11 ILE 5 3.237 -3.842 -0.840
46 1HG2 ILE 5 HG21 ILE 5 2.990 -2.714 -4.739
47 2HG2 ILE 5 HG22 ILE 5 2.798 -4.462 -4.868
48 3HG2 ILE 5 HG23 ILE 5 4.275 -3.785 -4.181
49 1HD1 ILE 5 HD11 ILE 5 3.469 -6.061 -1.939
50 2HD1 ILE 5 HD12 ILE 5 4.988 -5.508 -1.236
51 3HD1 ILE 5 HD13 ILE 5 4.730 -5.394 -2.976
52 H TRP 6 HN TRP 6 2.325 -1.457 -0.253
53 HA TRP 6 HA TRP 6 -0.079 -2.763 0.941
54 1HB TRP 6 HB2 TRP 6 2.591 -1.767 1.903
55 2HB TRP 6 HB1 TRP 6 1.272 -1.966 3.057
56 HD1 TRP 6 HD1 TRP 6 4.067 -3.820 1.832
57 HE1 TRP 6 HE1 TRP 6 3.714 -6.368 2.016
58 HE3 TRP 6 HE3 TRP 6 -0.984 -3.961 2.580
59 HZ2 TRP 6 HZ2 TRP 6 1.573 -8.220 2.427
60 HZ3 TRP 6 HZ3 TRP 6 -2.152 -6.128 2.864
61 HH2 TRP 6 HH2 TRP 6 -0.881 -8.255 2.789
62 H LYS 7 HN LYS 7 1.487 0.361 0.444
63 HA LYS 7 HA LYS 7 -0.137 1.973 2.143
64 1HB LYS 7 HB2 LYS 7 1.536 2.325 -0.318
65 2HB LYS 7 HB1 LYS 7 0.521 3.672 0.200
66 1HG LYS 7 HG2 LYS 7 1.605 3.824 2.306
67 2HG LYS 7 HG1 LYS 7 2.352 2.236 2.125
68 1HD LYS 7 HD2 LYS 7 3.688 3.112 0.217
69 2HD LYS 7 HD1 LYS 7 2.987 4.708 0.487
70 1HE LYS 7 HE2 LYS 7 5.264 4.358 1.571
71 2HE LYS 7 HE1 LYS 7 3.984 4.834 2.705
72 1HZ LYS 7 HZ1 LYS 7 4.461 1.989 2.090
73 2HZ LYS 7 HZ2 LYS 7 3.719 2.675 3.455
74 3HZ LYS 7 HZ3 LYS 7 5.404 2.774 3.261
75 HA PRO 8 HA PRO 8 -2.974 2.680 -1.638
76 1HB PRO 8 HB2 PRO 8 -2.794 0.920 -3.725
77 2HB PRO 8 HB1 PRO 8 -1.872 2.436 -3.658
78 1HG PRO 8 HG2 PRO 8 -0.995 -0.340 -3.055
79 2HG PRO 8 HG1 PRO 8 -0.125 0.968 -3.870
80 1HD PRO 8 HD2 PRO 8 0.309 0.267 -1.278
81 2HD PRO 8 HD1 PRO 8 0.572 1.907 -1.906
82 H ILE 9 HN ILE 9 -2.023 -0.627 -0.830
83 HA ILE 9 HA ILE 9 -4.505 -1.953 -1.261
84 HB ILE 9 HB ILE 9 -2.024 -2.309 0.368
85 1HG1 ILE 9 HG12 ILE 9 -1.776 -4.259 -0.962
86 2HG1 ILE 9 HG11 ILE 9 -3.494 -4.311 -1.353
87 1HG2 ILE 9 HG21 ILE 9 -4.608 -3.804 0.863
88 2HG2 ILE 9 HG22 ILE 9 -3.575 -3.005 2.048
89 3HG2 ILE 9 HG23 ILE 9 -3.031 -4.486 1.261
90 1HD1 ILE 9 HD11 ILE 9 -1.863 -1.922 -2.168
91 2HD1 ILE 9 HD12 ILE 9 -3.332 -2.567 -2.899
92 3HD1 ILE 9 HD13 ILE 9 -1.793 -3.395 -3.134
93 H LYS 10 HN LYS 10 -3.449 0.232 1.270
94 HA LYS 10 HA LYS 10 -5.628 -0.447 3.114
95 1HB LYS 10 HB2 LYS 10 -3.596 0.332 4.070
96 2HB LYS 10 HB1 LYS 10 -3.471 1.661 2.918
97 1HG LYS 10 HG2 LYS 10 -5.925 1.634 4.581
98 2HG LYS 10 HG1 LYS 10 -4.422 1.967 5.442
99 1HD LYS 10 HD2 LYS 10 -4.530 3.415 2.923
100 2HD LYS 10 HD1 LYS 10 -5.918 3.800 3.941
101 1HE LYS 10 HE2 LYS 10 -4.157 4.041 5.858
102 2HE LYS 10 HE1 LYS 10 -2.987 4.192 4.531
103 1HZ LYS 10 HZ1 LYS 10 -3.890 6.120 3.820
104 2HZ LYS 10 HZ2 LYS 10 -4.415 6.246 5.431
105 3HZ LYS 10 HZ3 LYS 10 -5.473 5.671 4.232
106 H LYS 11 HN LYS 11 -5.137 1.692 0.413
107 HA LYS 11 HA LYS 11 -7.119 3.685 1.030
108 1HB LYS 11 HB2 LYS 11 -5.259 3.011 -1.007
109 2HB LYS 11 HB1 LYS 11 -6.831 3.161 -1.792
110 1HG LYS 11 HG2 LYS 11 -6.949 5.402 -1.411
111 2HG LYS 11 HG1 LYS 11 -6.246 5.260 0.201
112 1HD LYS 11 HD2 LYS 11 -4.587 4.887 -2.296
113 2HD LYS 11 HD1 LYS 11 -4.833 6.476 -1.571
114 1HE LYS 11 HE2 LYS 11 -3.751 5.833 0.461
115 2HE LYS 11 HE1 LYS 11 -3.806 4.113 0.026
116 1HZ LYS 11 HZ1 LYS 11 -2.190 6.267 -1.195
117 2HZ LYS 11 HZ2 LYS 11 -2.533 4.837 -2.046
118 3HZ LYS 11 HZ3 LYS 11 -1.668 4.773 -0.585
119 H LEU 12 HN LEU 12 -7.265 0.750 -1.026
120 HA LEU 12 HA LEU 12 -10.118 1.014 -1.523
121 1HB LEU 12 HB2 LEU 12 -7.852 -0.642 -2.276
122 2HB LEU 12 HB1 LEU 12 -9.279 -1.634 -1.971
123 HG LEU 12 HG LEU 12 -9.100 0.739 -3.849
124 1HD1 LEU 12 HD11 LEU 12 -8.117 -1.448 -4.617
125 2HD1 LEU 12 HD12 LEU 12 -9.479 -0.899 -5.594
126 3HD1 LEU 12 HD13 LEU 12 -9.708 -2.179 -4.403
127 1HD2 LEU 12 HD21 LEU 12 -11.332 -0.269 -2.410
128 2HD2 LEU 12 HD22 LEU 12 -11.514 -0.816 -4.077
129 3HD2 LEU 12 HD23 LEU 12 -11.345 0.904 -3.727
130 H PHE 13 HN PHE 13 -8.304 -0.064 1.154
131 HA PHE 13 HA PHE 13 -10.630 -1.674 2.159
132 1HB PHE 13 HB2 PHE 13 -7.743 -2.084 2.037
133 2HB PHE 13 HB1 PHE 13 -8.358 -2.266 3.681
134 HD1 PHE 13 HD1 PHE 13 -10.361 -3.804 4.069
135 HD2 PHE 13 HD2 PHE 13 -8.112 -3.764 0.410
136 HE1 PHE 13 HE1 PHE 13 -11.274 -6.034 3.483
137 HE2 PHE 13 HE2 PHE 13 -9.025 -5.994 -0.176
138 HZ PHE 13 HZ PHE 13 -10.606 -7.129 1.361
139 1HN NH2 14 HN1 NH2 14 -10.168 1.332 2.396
140 2HN NH2 14 HN2 NH2 14 -10.118 1.641 4.064
Start of MODEL 9
1 1H ILE 1 HT1 ILE 1 10.902 4.159 2.987
2 2H ILE 1 HT2 ILE 1 10.171 3.748 1.510
3 3H ILE 1 HT3 ILE 1 11.179 2.632 2.301
4 HA ILE 1 HA ILE 1 9.561 2.610 4.190
5 HB ILE 1 HB ILE 1 8.677 4.853 3.595
6 1HG1 ILE 1 HG12 ILE 1 6.228 3.277 3.229
7 2HG1 ILE 1 HG11 ILE 1 7.256 2.663 4.524
8 1HG2 ILE 1 HG21 ILE 1 8.129 3.423 1.070
9 2HG2 ILE 1 HG22 ILE 1 8.399 5.143 1.354
10 3HG2 ILE 1 HG23 ILE 1 6.806 4.442 1.637
11 1HD1 ILE 1 HD11 ILE 1 7.051 4.584 5.790
12 2HD1 ILE 1 HD12 ILE 1 5.488 4.604 4.975
13 3HD1 ILE 1 HD13 ILE 1 6.806 5.614 4.380
14 H LEU 2 HN LEU 2 9.635 2.098 0.750
15 HA LEU 2 HA LEU 2 8.904 0.277 -0.567
16 1HB LEU 2 HB2 LEU 2 9.208 -0.771 2.236
17 2HB LEU 2 HB1 LEU 2 8.585 -1.835 0.975
18 HG LEU 2 HG LEU 2 10.992 -0.264 0.251
19 1HD1 LEU 2 HD11 LEU 2 11.240 -2.664 2.079
20 2HD1 LEU 2 HD12 LEU 2 11.354 -1.003 2.660
21 3HD1 LEU 2 HD13 LEU 2 12.532 -1.614 1.499
22 1HD2 LEU 2 HD21 LEU 2 11.596 -2.482 -0.739
23 2HD2 LEU 2 HD22 LEU 2 10.025 -1.896 -1.285
24 3HD2 LEU 2 HD23 LEU 2 10.117 -3.154 -0.052
25 H GLY 3 HN GLY 3 6.952 -1.109 -0.975
26 1HA GLY 3 HA2 GLY 3 4.620 -1.192 0.572
27 2HA GLY 3 HA1 GLY 3 4.521 0.310 -0.346
28 H LYS 4 HN LYS 4 6.031 -2.684 -1.448
29 HA LYS 4 HA LYS 4 4.987 -2.690 -4.041
30 1HB LYS 4 HB2 LYS 4 6.761 -4.158 -2.922
31 2HB LYS 4 HB1 LYS 4 5.427 -5.158 -2.344
32 1HG LYS 4 HG2 LYS 4 4.685 -5.546 -4.647
33 2HG LYS 4 HG1 LYS 4 5.964 -4.494 -5.254
34 1HD LYS 4 HD2 LYS 4 6.999 -6.556 -3.465
35 2HD LYS 4 HD1 LYS 4 6.165 -7.243 -4.860
36 1HE LYS 4 HE2 LYS 4 8.138 -4.995 -5.249
37 2HE LYS 4 HE1 LYS 4 8.701 -6.673 -5.114
38 1HZ LYS 4 HZ1 LYS 4 8.231 -6.406 -7.375
39 2HZ LYS 4 HZ2 LYS 4 6.810 -5.524 -7.078
40 3HZ LYS 4 HZ3 LYS 4 6.858 -7.193 -6.766
41 H ILE 5 HN ILE 5 3.340 -3.442 -1.063
42 HA ILE 5 HA ILE 5 0.856 -3.998 -2.616
43 HB ILE 5 HB ILE 5 2.021 -6.136 -2.033
44 1HG1 ILE 5 HG12 ILE 5 -0.293 -6.229 -0.211
45 2HG1 ILE 5 HG11 ILE 5 -0.646 -5.500 -1.778
46 1HG2 ILE 5 HG21 ILE 5 1.536 -5.178 0.806
47 2HG2 ILE 5 HG22 ILE 5 3.112 -5.351 0.033
48 3HG2 ILE 5 HG23 ILE 5 2.127 -6.778 0.356
49 1HD1 ILE 5 HD11 ILE 5 0.105 -8.297 -1.118
50 2HD1 ILE 5 HD12 ILE 5 0.809 -7.629 -2.590
51 3HD1 ILE 5 HD13 ILE 5 -0.943 -7.684 -2.398
52 H TRP 6 HN TRP 6 2.224 -1.994 -0.536
53 HA TRP 6 HA TRP 6 -0.024 -1.936 1.432
54 1HB TRP 6 HB2 TRP 6 2.843 -1.393 1.431
55 2HB TRP 6 HB1 TRP 6 1.925 -0.059 2.130
56 HD1 TRP 6 HD1 TRP 6 3.700 -2.714 3.441
57 HE1 TRP 6 HE1 TRP 6 2.622 -3.788 5.521
58 HE3 TRP 6 HE3 TRP 6 -1.066 -0.935 2.984
59 HZ2 TRP 6 HZ2 TRP 6 0.076 -3.880 6.821
60 HZ3 TRP 6 HZ3 TRP 6 -2.795 -1.531 4.656
61 HH2 TRP 6 HH2 TRP 6 -2.231 -3.000 6.572
62 H LYS 7 HN LYS 7 1.770 0.084 -0.875
63 HA LYS 7 HA LYS 7 0.525 2.570 -0.497
64 1HB LYS 7 HB2 LYS 7 2.311 1.441 -2.231
65 2HB LYS 7 HB1 LYS 7 0.927 1.693 -3.296
66 1HG LYS 7 HG2 LYS 7 1.079 3.970 -3.180
67 2HG LYS 7 HG1 LYS 7 1.591 3.951 -1.492
68 1HD LYS 7 HD2 LYS 7 3.427 2.939 -3.654
69 2HD LYS 7 HD1 LYS 7 3.325 4.664 -3.300
70 1HE LYS 7 HE2 LYS 7 3.613 3.810 -0.786
71 2HE LYS 7 HE1 LYS 7 4.407 2.449 -1.604
72 1HZ LYS 7 HZ1 LYS 7 5.945 3.826 -2.606
73 2HZ LYS 7 HZ2 LYS 7 5.781 4.561 -1.083
74 3HZ LYS 7 HZ3 LYS 7 4.987 5.215 -2.435
75 HA PRO 8 HA PRO 8 -2.936 1.277 -3.528
76 1HB PRO 8 HB2 PRO 8 -3.262 -1.388 -4.047
77 2HB PRO 8 HB1 PRO 8 -2.253 -0.327 -5.050
78 1HG PRO 8 HG2 PRO 8 -1.449 -2.257 -2.936
79 2HG PRO 8 HG1 PRO 8 -0.670 -1.885 -4.482
80 1HD PRO 8 HD2 PRO 8 0.201 -0.920 -2.092
81 2HD PRO 8 HD1 PRO 8 0.445 -0.080 -3.637
82 H ILE 9 HN ILE 9 -2.168 -1.302 -1.170
83 HA ILE 9 HA ILE 9 -4.735 -2.013 -0.314
84 HB ILE 9 HB ILE 9 -2.041 -1.728 1.006
85 1HG1 ILE 9 HG12 ILE 9 -2.619 -3.568 -0.639
86 2HG1 ILE 9 HG11 ILE 9 -2.092 -4.138 0.945
87 1HG2 ILE 9 HG21 ILE 9 -4.655 -2.498 2.320
88 2HG2 ILE 9 HG22 ILE 9 -3.466 -1.320 2.874
89 3HG2 ILE 9 HG23 ILE 9 -3.097 -3.043 2.941
90 1HD1 ILE 9 HD11 ILE 9 -4.946 -3.920 -0.049
91 2HD1 ILE 9 HD12 ILE 9 -4.509 -4.307 1.615
92 3HD1 ILE 9 HD13 ILE 9 -4.059 -5.402 0.308
93 H LYS 10 HN LYS 10 -2.991 0.978 0.248
94 HA LYS 10 HA LYS 10 -4.923 1.876 2.311
95 1HB LYS 10 HB2 LYS 10 -2.567 2.345 2.638
96 2HB LYS 10 HB1 LYS 10 -2.441 3.057 1.029
97 1HG LYS 10 HG2 LYS 10 -4.565 4.347 2.490
98 2HG LYS 10 HG1 LYS 10 -3.081 4.386 3.443
99 1HD LYS 10 HD2 LYS 10 -3.085 5.116 0.515
100 2HD LYS 10 HD1 LYS 10 -3.455 6.309 1.761
101 1HE LYS 10 HE2 LYS 10 -0.891 4.700 1.489
102 2HE LYS 10 HE1 LYS 10 -1.076 6.459 1.335
103 1HZ LYS 10 HZ1 LYS 10 -2.186 6.195 3.664
104 2HZ LYS 10 HZ2 LYS 10 -0.494 6.284 3.533
105 3HZ LYS 10 HZ3 LYS 10 -1.255 4.779 3.740
106 H LYS 11 HN LYS 11 -4.256 2.249 -1.100
107 HA LYS 11 HA LYS 11 -5.653 4.725 -1.554
108 1HB LYS 11 HB2 LYS 11 -4.696 2.365 -3.131
109 2HB LYS 11 HB1 LYS 11 -5.804 3.493 -3.914
110 1HG LYS 11 HG2 LYS 11 -3.386 4.509 -2.433
111 2HG LYS 11 HG1 LYS 11 -3.245 3.947 -4.100
112 1HD LYS 11 HD2 LYS 11 -3.896 6.021 -4.713
113 2HD LYS 11 HD1 LYS 11 -5.505 5.565 -4.151
114 1HE LYS 11 HE2 LYS 11 -5.360 6.912 -2.320
115 2HE LYS 11 HE1 LYS 11 -3.693 6.407 -1.981
116 1HZ LYS 11 HZ1 LYS 11 -4.659 8.496 -3.814
117 2HZ LYS 11 HZ2 LYS 11 -3.204 7.693 -4.166
118 3HZ LYS 11 HZ3 LYS 11 -3.374 8.552 -2.710
119 H LEU 12 HN LEU 12 -6.751 1.519 -0.866
120 HA LEU 12 HA LEU 12 -9.546 2.331 -1.603
121 1HB LEU 12 HB2 LEU 12 -9.862 -0.118 -2.090
122 2HB LEU 12 HB1 LEU 12 -8.680 0.656 -3.146
123 HG LEU 12 HG LEU 12 -7.350 -0.272 -0.773
124 1HD1 LEU 12 HD11 LEU 12 -7.712 -2.757 -1.318
125 2HD1 LEU 12 HD12 LEU 12 -9.162 -2.242 -2.180
126 3HD1 LEU 12 HD13 LEU 12 -9.013 -1.945 -0.448
127 1HD2 LEU 12 HD21 LEU 12 -5.947 -1.395 -2.397
128 2HD2 LEU 12 HD22 LEU 12 -6.416 0.163 -3.079
129 3HD2 LEU 12 HD23 LEU 12 -7.216 -1.313 -3.619
130 H PHE 13 HN PHE 13 -7.726 2.167 0.982
131 HA PHE 13 HA PHE 13 -9.871 0.951 2.671
132 1HB PHE 13 HB2 PHE 13 -7.641 -0.419 2.052
133 2HB PHE 13 HB1 PHE 13 -7.011 0.516 3.409
134 HD1 PHE 13 HD1 PHE 13 -9.263 -2.166 2.379
135 HD2 PHE 13 HD2 PHE 13 -8.075 0.344 5.656
136 HE1 PHE 13 HE1 PHE 13 -10.395 -3.700 3.964
137 HE2 PHE 13 HE2 PHE 13 -9.207 -1.190 7.242
138 HZ PHE 13 HZ PHE 13 -10.368 -3.212 6.396
139 1HN NH2 14 HN1 NH2 14 -6.776 2.820 2.773
140 2HN NH2 14 HN2 NH2 14 -7.279 3.886 3.994
Start of MODEL 10
1 1H ILE 1 HT1 ILE 1 -10.559 1.831 1.366
2 2H ILE 1 HT2 ILE 1 -12.122 1.179 1.498
3 3H ILE 1 HT3 ILE 1 -11.873 2.634 0.656
4 HA ILE 1 HA ILE 1 -10.933 -0.070 -0.161
5 HB ILE 1 HB ILE 1 -12.939 1.921 -1.276
6 1HG1 ILE 1 HG12 ILE 1 -14.342 -0.333 -0.732
7 2HG1 ILE 1 HG11 ILE 1 -13.125 -0.423 0.542
8 1HG2 ILE 1 HG21 ILE 1 -11.780 0.575 -3.010
9 2HG2 ILE 1 HG22 ILE 1 -13.482 0.134 -2.871
10 3HG2 ILE 1 HG23 ILE 1 -12.244 -0.898 -2.158
11 1HD1 ILE 1 HD11 ILE 1 -14.101 2.285 0.307
12 2HD1 ILE 1 HD12 ILE 1 -14.147 1.210 1.705
13 3HD1 ILE 1 HD13 ILE 1 -15.454 1.174 0.521
14 H LEU 2 HN LEU 2 -8.706 0.815 -0.298
15 HA LEU 2 HA LEU 2 -8.323 2.377 -2.805
16 1HB LEU 2 HB2 LEU 2 -7.421 3.068 -0.009
17 2HB LEU 2 HB1 LEU 2 -6.561 3.690 -1.418
18 HG LEU 2 HG LEU 2 -9.553 3.977 -1.117
19 1HD1 LEU 2 HD11 LEU 2 -7.321 5.726 -0.078
20 2HD1 LEU 2 HD12 LEU 2 -8.740 5.136 0.787
21 3HD1 LEU 2 HD13 LEU 2 -8.916 6.383 -0.448
22 1HD2 LEU 2 HD21 LEU 2 -8.275 6.100 -2.521
23 2HD2 LEU 2 HD22 LEU 2 -9.346 4.862 -3.178
24 3HD2 LEU 2 HD23 LEU 2 -7.604 4.590 -3.135
25 H GLY 3 HN GLY 3 -6.882 0.445 -0.201
26 1HA GLY 3 HA2 GLY 3 -5.500 -1.369 -1.792
27 2HA GLY 3 HA1 GLY 3 -4.386 -0.014 -1.605
28 H LYS 4 HN LYS 4 -6.039 -2.610 0.075
29 HA LYS 4 HA LYS 4 -5.033 -1.913 2.722
30 1HB LYS 4 HB2 LYS 4 -6.940 -3.604 1.574
31 2HB LYS 4 HB1 LYS 4 -5.740 -4.707 2.251
32 1HG LYS 4 HG2 LYS 4 -7.371 -4.235 3.976
33 2HG LYS 4 HG1 LYS 4 -5.871 -3.412 4.406
34 1HD LYS 4 HD2 LYS 4 -7.051 -1.474 2.927
35 2HD LYS 4 HD1 LYS 4 -8.483 -2.272 3.578
36 1HE LYS 4 HE2 LYS 4 -7.714 -1.953 5.855
37 2HE LYS 4 HE1 LYS 4 -6.146 -1.346 5.285
38 1HZ LYS 4 HZ1 LYS 4 -7.087 0.564 4.433
39 2HZ LYS 4 HZ2 LYS 4 -8.009 0.340 5.842
40 3HZ LYS 4 HZ3 LYS 4 -8.641 -0.107 4.330
41 H ILE 5 HN ILE 5 -3.580 -3.210 -0.048
42 HA ILE 5 HA ILE 5 -1.275 -4.183 1.577
43 HB ILE 5 HB ILE 5 -2.889 -6.034 0.880
44 1HG1 ILE 5 HG12 ILE 5 -1.008 -7.469 -0.054
45 2HG1 ILE 5 HG11 ILE 5 -0.016 -6.011 -0.082
46 1HG2 ILE 5 HG21 ILE 5 -3.277 -6.502 -1.343
47 2HG2 ILE 5 HG22 ILE 5 -1.720 -5.856 -1.860
48 3HG2 ILE 5 HG23 ILE 5 -3.045 -4.759 -1.472
49 1HD1 ILE 5 HD11 ILE 5 0.462 -7.081 2.001
50 2HD1 ILE 5 HD12 ILE 5 -1.248 -7.366 2.325
51 3HD1 ILE 5 HD13 ILE 5 -0.600 -5.727 2.387
52 H TRP 6 HN TRP 6 -2.188 -1.961 -0.514
53 HA TRP 6 HA TRP 6 0.261 -2.210 -2.232
54 1HB TRP 6 HB2 TRP 6 -2.589 -1.513 -2.750
55 2HB TRP 6 HB1 TRP 6 -1.378 -0.601 -3.650
56 HD1 TRP 6 HD1 TRP 6 -3.382 -3.520 -4.068
57 HE1 TRP 6 HE1 TRP 6 -2.309 -5.234 -5.667
58 HE3 TRP 6 HE3 TRP 6 1.405 -1.745 -4.179
59 HZ2 TRP 6 HZ2 TRP 6 0.243 -5.780 -6.838
60 HZ3 TRP 6 HZ3 TRP 6 3.135 -2.880 -5.544
61 HH2 TRP 6 HH2 TRP 6 2.561 -4.893 -6.872
62 H LYS 7 HN LYS 7 -1.739 -0.170 -0.193
63 HA LYS 7 HA LYS 7 -0.559 2.372 -0.792
64 1HB LYS 7 HB2 LYS 7 -2.281 1.098 1.226
65 2HB LYS 7 HB1 LYS 7 -1.334 2.445 1.861
66 1HG LYS 7 HG2 LYS 7 -2.123 3.686 -0.304
67 2HG LYS 7 HG1 LYS 7 -3.382 2.451 -0.341
68 1HD LYS 7 HD2 LYS 7 -4.304 3.145 1.702
69 2HD LYS 7 HD1 LYS 7 -2.826 3.974 2.195
70 1HE LYS 7 HE2 LYS 7 -3.210 5.781 0.679
71 2HE LYS 7 HE1 LYS 7 -4.469 4.879 -0.188
72 1HZ LYS 7 HZ1 LYS 7 -4.688 5.369 2.714
73 2HZ LYS 7 HZ2 LYS 7 -5.918 5.009 1.599
74 3HZ LYS 7 HZ3 LYS 7 -5.199 6.548 1.607
75 HA PRO 8 HA PRO 8 2.489 1.389 2.666
76 1HB PRO 8 HB2 PRO 8 2.618 -1.135 3.711
77 2HB PRO 8 HB1 PRO 8 1.518 0.113 4.332
78 1HG PRO 8 HG2 PRO 8 0.955 -2.176 2.522
79 2HG PRO 8 HG1 PRO 8 -0.033 -1.494 3.823
80 1HD PRO 8 HD2 PRO 8 -0.473 -1.005 1.177
81 2HD PRO 8 HD1 PRO 8 -0.930 0.116 2.477
82 H ILE 9 HN ILE 9 1.937 -1.442 0.576
83 HA ILE 9 HA ILE 9 4.534 -2.466 0.337
84 HB ILE 9 HB ILE 9 2.159 -2.167 -1.487
85 1HG1 ILE 9 HG12 ILE 9 2.053 -4.580 -1.205
86 2HG1 ILE 9 HG11 ILE 9 3.627 -4.594 -0.410
87 1HG2 ILE 9 HG21 ILE 9 4.928 -3.038 -2.248
88 2HG2 ILE 9 HG22 ILE 9 3.741 -2.141 -3.195
89 3HG2 ILE 9 HG23 ILE 9 3.547 -3.878 -2.953
90 1HD1 ILE 9 HD11 ILE 9 2.740 -3.265 1.443
91 2HD1 ILE 9 HD12 ILE 9 1.752 -4.709 1.222
92 3HD1 ILE 9 HD13 ILE 9 1.175 -3.148 0.638
93 H LYS 10 HN LYS 10 3.086 0.243 -1.508
94 HA LYS 10 HA LYS 10 5.428 0.824 -3.071
95 1HB LYS 10 HB2 LYS 10 3.207 1.586 -3.689
96 2HB LYS 10 HB1 LYS 10 3.041 2.467 -2.169
97 1HG LYS 10 HG2 LYS 10 5.344 3.092 -3.994
98 2HG LYS 10 HG1 LYS 10 3.750 3.763 -4.344
99 1HD LYS 10 HD2 LYS 10 4.139 4.140 -1.578
100 2HD LYS 10 HD1 LYS 10 5.667 4.587 -2.338
101 1HE LYS 10 HE2 LYS 10 3.140 5.576 -3.611
102 2HE LYS 10 HE1 LYS 10 3.701 6.371 -2.126
103 1HZ LYS 10 HZ1 LYS 10 4.989 7.476 -3.618
104 2HZ LYS 10 HZ2 LYS 10 4.992 6.204 -4.744
105 3HZ LYS 10 HZ3 LYS 10 5.999 6.135 -3.377
106 H LYS 11 HN LYS 11 4.622 1.433 0.237
107 HA LYS 11 HA LYS 11 6.412 3.737 0.569
108 1HB LYS 11 HB2 LYS 11 4.240 3.051 1.843
109 2HB LYS 11 HB1 LYS 11 5.301 1.967 2.744
110 1HG LYS 11 HG2 LYS 11 6.661 3.800 3.504
111 2HG LYS 11 HG1 LYS 11 5.847 4.927 2.419
112 1HD LYS 11 HD2 LYS 11 3.693 4.386 3.659
113 2HD LYS 11 HD1 LYS 11 4.688 3.546 4.850
114 1HE LYS 11 HE2 LYS 11 5.819 6.154 4.298
115 2HE LYS 11 HE1 LYS 11 4.121 6.309 4.791
116 1HZ LYS 11 HZ1 LYS 11 4.491 5.207 6.761
117 2HZ LYS 11 HZ2 LYS 11 5.951 6.061 6.598
118 3HZ LYS 11 HZ3 LYS 11 5.878 4.412 6.195
119 H LEU 12 HN LEU 12 6.406 0.466 2.052
120 HA LEU 12 HA LEU 12 9.039 0.491 3.047
121 1HB LEU 12 HB2 LEU 12 7.181 -1.653 2.007
122 2HB LEU 12 HB1 LEU 12 8.757 -2.063 2.684
123 HG LEU 12 HG LEU 12 6.602 -0.473 4.106
124 1HD1 LEU 12 HD11 LEU 12 6.068 -2.410 5.298
125 2HD1 LEU 12 HD12 LEU 12 7.612 -3.180 4.933
126 3HD1 LEU 12 HD13 LEU 12 6.370 -3.059 3.686
127 1HD2 LEU 12 HD21 LEU 12 8.532 -1.484 5.895
128 2HD2 LEU 12 HD22 LEU 12 8.300 0.201 5.430
129 3HD2 LEU 12 HD23 LEU 12 9.447 -0.807 4.548
130 H PHE 13 HN PHE 13 7.919 0.197 -0.240
131 HA PHE 13 HA PHE 13 10.757 -0.138 -1.137
132 1HB PHE 13 HB2 PHE 13 8.986 -2.162 -1.164
133 2HB PHE 13 HB1 PHE 13 8.540 -1.397 -2.690
134 HD1 PHE 13 HD1 PHE 13 11.104 -3.279 -0.891
135 HD2 PHE 13 HD2 PHE 13 10.218 -1.131 -4.504
136 HE1 PHE 13 HE1 PHE 13 13.084 -4.298 -1.982
137 HE2 PHE 13 HE2 PHE 13 12.198 -2.150 -5.595
138 HZ PHE 13 HZ PHE 13 13.631 -3.734 -4.335
139 1HN NH2 14 HN1 NH2 14 9.780 2.419 -1.103
140 2HN NH2 14 HN2 NH2 14 9.281 2.926 -2.645
Start of MODEL 11
1 1H ILE 1 HT1 ILE 1 8.405 2.607 -0.890
2 2H ILE 1 HT2 ILE 1 7.569 2.943 0.550
3 3H ILE 1 HT3 ILE 1 7.189 1.554 -0.353
4 HA ILE 1 HA ILE 1 9.796 1.133 0.082
5 HB ILE 1 HB ILE 1 8.646 2.535 2.516
6 1HG1 ILE 1 HG12 ILE 1 10.957 3.777 1.241
7 2HG1 ILE 1 HG11 ILE 1 9.570 3.713 0.153
8 1HG2 ILE 1 HG21 ILE 1 11.403 1.469 1.834
9 2HG2 ILE 1 HG22 ILE 1 10.311 0.848 3.073
10 3HG2 ILE 1 HG23 ILE 1 11.038 2.445 3.257
11 1HD1 ILE 1 HD11 ILE 1 9.265 5.737 1.333
12 2HD1 ILE 1 HD12 ILE 1 9.767 5.021 2.864
13 3HD1 ILE 1 HD13 ILE 1 8.204 4.600 2.164
14 H LEU 2 HN LEU 2 10.037 -0.842 1.275
15 HA LEU 2 HA LEU 2 9.292 -2.862 2.251
16 1HB LEU 2 HB2 LEU 2 7.803 -0.626 3.476
17 2HB LEU 2 HB1 LEU 2 7.026 -2.199 3.654
18 HG LEU 2 HG LEU 2 9.924 -1.640 4.343
19 1HD1 LEU 2 HD11 LEU 2 9.239 -0.902 6.356
20 2HD1 LEU 2 HD12 LEU 2 8.236 -2.336 6.577
21 3HD1 LEU 2 HD13 LEU 2 7.580 -0.920 5.755
22 1HD2 LEU 2 HD21 LEU 2 10.082 -3.887 4.406
23 2HD2 LEU 2 HD22 LEU 2 8.380 -4.044 3.972
24 3HD2 LEU 2 HD23 LEU 2 8.849 -3.910 5.667
25 H GLY 3 HN GLY 3 6.054 -1.483 2.062
26 1HA GLY 3 HA2 GLY 3 5.370 -3.581 0.051
27 2HA GLY 3 HA1 GLY 3 4.224 -2.864 1.181
28 H LYS 4 HN LYS 4 6.444 -1.824 -1.408
29 HA LYS 4 HA LYS 4 5.395 0.670 -2.042
30 1HB LYS 4 HB2 LYS 4 6.905 -1.454 -3.312
31 2HB LYS 4 HB1 LYS 4 5.870 -0.648 -4.491
32 1HG LYS 4 HG2 LYS 4 7.068 1.277 -4.402
33 2HG LYS 4 HG1 LYS 4 7.226 1.200 -2.647
34 1HD LYS 4 HD2 LYS 4 9.083 -0.285 -2.775
35 2HD LYS 4 HD1 LYS 4 8.786 -0.628 -4.480
36 1HE LYS 4 HE2 LYS 4 10.621 0.920 -4.447
37 2HE LYS 4 HE1 LYS 4 9.201 1.893 -4.878
38 1HZ LYS 4 HZ1 LYS 4 9.792 1.466 -2.040
39 2HZ LYS 4 HZ2 LYS 4 9.058 2.796 -2.802
40 3HZ LYS 4 HZ3 LYS 4 10.742 2.588 -2.886
41 H ILE 5 HN ILE 5 3.888 -2.453 -2.507
42 HA ILE 5 HA ILE 5 1.727 -1.226 -4.165
43 HB ILE 5 HB ILE 5 3.001 -3.329 -4.828
44 1HG1 ILE 5 HG12 ILE 5 0.772 -4.625 -5.244
45 2HG1 ILE 5 HG11 ILE 5 0.008 -3.222 -4.498
46 1HG2 ILE 5 HG21 ILE 5 3.126 -5.068 -3.400
47 2HG2 ILE 5 HG22 ILE 5 1.376 -5.078 -3.182
48 3HG2 ILE 5 HG23 ILE 5 2.384 -4.038 -2.176
49 1HD1 ILE 5 HD11 ILE 5 0.154 -3.029 -6.985
50 2HD1 ILE 5 HD12 ILE 5 1.912 -3.087 -6.854
51 3HD1 ILE 5 HD13 ILE 5 1.019 -1.739 -6.149
52 H TRP 6 HN TRP 6 2.413 -1.822 -0.950
53 HA TRP 6 HA TRP 6 -0.360 -2.609 -0.216
54 1HB TRP 6 HB2 TRP 6 2.352 -2.718 0.935
55 2HB TRP 6 HB1 TRP 6 1.093 -2.310 2.100
56 HD1 TRP 6 HD1 TRP 6 2.745 -5.213 0.791
57 HE1 TRP 6 HE1 TRP 6 1.299 -7.336 1.010
58 HE3 TRP 6 HE3 TRP 6 -1.801 -3.090 1.743
59 HZ2 TRP 6 HZ2 TRP 6 -1.427 -8.040 1.521
60 HZ3 TRP 6 HZ3 TRP 6 -3.803 -4.508 2.091
61 HH2 TRP 6 HH2 TRP 6 -3.622 -6.978 1.982
62 H LYS 7 HN LYS 7 1.906 0.093 0.028
63 HA LYS 7 HA LYS 7 0.562 1.735 1.894
64 1HB LYS 7 HB2 LYS 7 2.768 1.875 0.279
65 2HB LYS 7 HB1 LYS 7 1.707 3.053 -0.494
66 1HG LYS 7 HG2 LYS 7 1.489 3.456 2.310
67 2HG LYS 7 HG1 LYS 7 3.209 3.334 1.937
68 1HD LYS 7 HD2 LYS 7 2.421 5.666 1.731
69 2HD LYS 7 HD1 LYS 7 2.954 5.036 0.172
70 1HE LYS 7 HE2 LYS 7 0.686 4.681 -0.558
71 2HE LYS 7 HE1 LYS 7 0.053 4.999 1.069
72 1HZ LYS 7 HZ1 LYS 7 -0.104 6.986 -0.292
73 2HZ LYS 7 HZ2 LYS 7 1.561 6.924 -0.624
74 3HZ LYS 7 HZ3 LYS 7 1.017 7.225 0.957
75 HA PRO 8 HA PRO 8 -2.213 3.180 -1.584
76 1HB PRO 8 HB2 PRO 8 -2.145 1.967 -4.033
77 2HB PRO 8 HB1 PRO 8 -1.051 3.291 -3.583
78 1HG PRO 8 HG2 PRO 8 -0.542 0.366 -3.682
79 2HG PRO 8 HG1 PRO 8 0.521 1.715 -4.111
80 1HD PRO 8 HD2 PRO 8 0.701 0.319 -1.770
81 2HD PRO 8 HD1 PRO 8 1.238 2.000 -1.965
82 H ILE 9 HN ILE 9 -1.694 -0.333 -1.819
83 HA ILE 9 HA ILE 9 -4.437 -1.026 -2.382
84 HB ILE 9 HB ILE 9 -1.995 -2.434 -1.294
85 1HG1 ILE 9 HG12 ILE 9 -3.575 -2.530 -3.881
86 2HG1 ILE 9 HG11 ILE 9 -1.931 -1.933 -3.658
87 1HG2 ILE 9 HG21 ILE 9 -3.254 -4.555 -1.474
88 2HG2 ILE 9 HG22 ILE 9 -4.720 -3.650 -1.851
89 3HG2 ILE 9 HG23 ILE 9 -3.971 -3.492 -0.262
90 1HD1 ILE 9 HD11 ILE 9 -1.672 -4.124 -4.548
91 2HD1 ILE 9 HD12 ILE 9 -2.916 -4.784 -3.487
92 3HD1 ILE 9 HD13 ILE 9 -1.358 -4.292 -2.821
93 H LYS 10 HN LYS 10 -2.675 -0.282 0.559
94 HA LYS 10 HA LYS 10 -4.570 -1.471 2.408
95 1HB LYS 10 HB2 LYS 10 -2.104 -0.833 2.733
96 2HB LYS 10 HB1 LYS 10 -2.667 0.830 2.898
97 1HG LYS 10 HG2 LYS 10 -3.701 -1.475 4.572
98 2HG LYS 10 HG1 LYS 10 -2.423 -0.376 5.093
99 1HD LYS 10 HD2 LYS 10 -4.355 1.385 4.261
100 2HD LYS 10 HD1 LYS 10 -5.331 0.075 4.926
101 1HE LYS 10 HE2 LYS 10 -2.959 1.039 6.500
102 2HE LYS 10 HE1 LYS 10 -4.463 1.983 6.534
103 1HZ LYS 10 HZ1 LYS 10 -5.646 0.259 7.427
104 2HZ LYS 10 HZ2 LYS 10 -4.135 -0.036 8.147
105 3HZ LYS 10 HZ3 LYS 10 -4.623 -0.935 6.790
106 H LYS 11 HN LYS 11 -4.283 1.638 0.785
107 HA LYS 11 HA LYS 11 -6.432 2.841 2.432
108 1HB LYS 11 HB2 LYS 11 -4.300 3.674 0.581
109 2HB LYS 11 HB1 LYS 11 -5.800 4.581 0.383
110 1HG LYS 11 HG2 LYS 11 -5.800 4.895 2.911
111 2HG LYS 11 HG1 LYS 11 -4.154 4.261 2.901
112 1HD LYS 11 HD2 LYS 11 -3.490 6.386 2.507
113 2HD LYS 11 HD1 LYS 11 -4.117 6.158 0.874
114 1HE LYS 11 HE2 LYS 11 -6.388 6.905 1.755
115 2HE LYS 11 HE1 LYS 11 -5.553 7.388 3.245
116 1HZ LYS 11 HZ1 LYS 11 -4.088 8.781 1.998
117 2HZ LYS 11 HZ2 LYS 11 -5.677 9.185 1.555
118 3HZ LYS 11 HZ3 LYS 11 -4.720 8.235 0.523
119 H LEU 12 HN LEU 12 -5.862 1.758 -0.914
120 HA LEU 12 HA LEU 12 -8.279 2.620 -2.106
121 1HB LEU 12 HB2 LEU 12 -6.148 0.642 -2.544
122 2HB LEU 12 HB1 LEU 12 -7.689 0.174 -3.263
123 HG LEU 12 HG LEU 12 -7.370 2.931 -3.809
124 1HD1 LEU 12 HD11 LEU 12 -4.834 1.332 -4.027
125 2HD1 LEU 12 HD12 LEU 12 -5.054 3.003 -3.506
126 3HD1 LEU 12 HD13 LEU 12 -5.177 2.588 -5.216
127 1HD2 LEU 12 HD21 LEU 12 -6.828 1.733 -6.171
128 2HD2 LEU 12 HD22 LEU 12 -8.451 1.787 -5.483
129 3HD2 LEU 12 HD23 LEU 12 -7.455 0.346 -5.281
130 H PHE 13 HN PHE 13 -7.672 0.007 0.146
131 HA PHE 13 HA PHE 13 -9.888 -1.685 -0.313
132 1HB PHE 13 HB2 PHE 13 -8.139 -0.897 1.974
133 2HB PHE 13 HB1 PHE 13 -9.603 -1.802 2.360
134 HD1 PHE 13 HD1 PHE 13 -7.881 -2.161 -0.875
135 HD2 PHE 13 HD2 PHE 13 -8.406 -3.817 3.054
136 HE1 PHE 13 HE1 PHE 13 -6.782 -4.258 -1.612
137 HE2 PHE 13 HE2 PHE 13 -7.307 -5.914 2.316
138 HZ PHE 13 HZ PHE 13 -6.495 -6.135 -0.017
139 1HN NH2 14 HN1 NH2 14 -11.731 -0.227 -0.888
140 2HN NH2 14 HN2 NH2 14 -12.578 0.603 0.326
Start of MODEL 12
1 1H ILE 1 HT1 ILE 1 10.237 2.248 -1.489
2 2H ILE 1 HT2 ILE 1 9.419 0.779 -1.246
3 3H ILE 1 HT3 ILE 1 11.045 0.778 -1.737
4 HA ILE 1 HA ILE 1 11.334 0.373 0.488
5 HB ILE 1 HB ILE 1 11.182 3.338 -0.077
6 1HG1 ILE 1 HG12 ILE 1 13.716 2.988 0.107
7 2HG1 ILE 1 HG11 ILE 1 13.372 1.258 0.106
8 1HG2 ILE 1 HG21 ILE 1 12.593 3.578 2.018
9 2HG2 ILE 1 HG22 ILE 1 12.120 1.931 2.436
10 3HG2 ILE 1 HG23 ILE 1 10.896 3.195 2.307
11 1HD1 ILE 1 HD11 ILE 1 13.756 2.738 -2.160
12 2HD1 ILE 1 HD12 ILE 1 12.000 2.790 -2.014
13 3HD1 ILE 1 HD13 ILE 1 12.830 1.237 -2.105
14 H LEU 2 HN LEU 2 8.910 3.018 0.308
15 HA LEU 2 HA LEU 2 7.788 2.936 2.826
16 1HB LEU 2 HB2 LEU 2 6.714 3.293 0.048
17 2HB LEU 2 HB1 LEU 2 5.575 3.276 1.395
18 HG LEU 2 HG LEU 2 7.371 4.952 2.446
19 1HD1 LEU 2 HD11 LEU 2 8.185 6.466 0.608
20 2HD1 LEU 2 HD12 LEU 2 7.668 5.246 -0.557
21 3HD1 LEU 2 HD13 LEU 2 8.944 4.874 0.602
22 1HD2 LEU 2 HD21 LEU 2 5.399 5.848 0.322
23 2HD2 LEU 2 HD22 LEU 2 5.947 6.774 1.719
24 3HD2 LEU 2 HD23 LEU 2 4.930 5.352 1.948
25 H GLY 3 HN GLY 3 5.691 1.391 0.478
26 1HA GLY 3 HA2 GLY 3 5.970 -1.283 1.609
27 2HA GLY 3 HA1 GLY 3 4.499 -0.468 2.140
28 H LYS 4 HN LYS 4 6.156 -1.868 -0.611
29 HA LYS 4 HA LYS 4 4.056 -1.162 -2.528
30 1HB LYS 4 HB2 LYS 4 6.709 -2.283 -2.469
31 2HB LYS 4 HB1 LYS 4 5.656 -3.344 -3.405
32 1HG LYS 4 HG2 LYS 4 4.926 -0.773 -4.213
33 2HG LYS 4 HG1 LYS 4 6.684 -0.704 -4.085
34 1HD LYS 4 HD2 LYS 4 6.780 -2.837 -5.434
35 2HD LYS 4 HD1 LYS 4 5.045 -2.672 -5.702
36 1HE LYS 4 HE2 LYS 4 5.344 -1.049 -7.270
37 2HE LYS 4 HE1 LYS 4 6.544 -0.203 -6.273
38 1HZ LYS 4 HZ1 LYS 4 7.110 -2.783 -7.617
39 2HZ LYS 4 HZ2 LYS 4 8.220 -1.711 -6.906
40 3HZ LYS 4 HZ3 LYS 4 7.433 -1.289 -8.351
41 H ILE 5 HN ILE 5 2.837 -2.371 -0.320
42 HA ILE 5 HA ILE 5 1.713 -4.811 -1.557
43 HB ILE 5 HB ILE 5 2.833 -4.800 1.260
44 1HG1 ILE 5 HG12 ILE 5 4.059 -5.797 -1.330
45 2HG1 ILE 5 HG11 ILE 5 4.707 -4.549 -0.264
46 1HG2 ILE 5 HG21 ILE 5 0.955 -6.408 0.459
47 2HG2 ILE 5 HG22 ILE 5 2.358 -7.109 1.265
48 3HG2 ILE 5 HG23 ILE 5 2.225 -7.177 -0.492
49 1HD1 ILE 5 HD11 ILE 5 5.178 -6.124 1.461
50 2HD1 ILE 5 HD12 ILE 5 5.740 -6.882 -0.029
51 3HD1 ILE 5 HD13 ILE 5 4.205 -7.374 0.687
52 H TRP 6 HN TRP 6 1.678 -2.464 1.138
53 HA TRP 6 HA TRP 6 -1.302 -2.598 1.083
54 1HB TRP 6 HB2 TRP 6 0.019 -4.105 2.838
55 2HB TRP 6 HB1 TRP 6 0.101 -2.583 3.725
56 HD1 TRP 6 HD1 TRP 6 -1.815 -2.345 5.355
57 HE1 TRP 6 HE1 TRP 6 -4.301 -3.026 5.412
58 HE3 TRP 6 HE3 TRP 6 -2.189 -4.702 0.841
59 HZ2 TRP 6 HZ2 TRP 6 -6.196 -4.390 3.761
60 HZ3 TRP 6 HZ3 TRP 6 -4.343 -5.683 0.109
61 HH2 TRP 6 HH2 TRP 6 -6.345 -5.531 1.562
62 H LYS 7 HN LYS 7 1.620 -0.956 2.252
63 HA LYS 7 HA LYS 7 0.663 1.322 3.475
64 1HB LYS 7 HB2 LYS 7 2.963 0.532 1.869
65 2HB LYS 7 HB1 LYS 7 2.613 2.252 1.696
66 1HG LYS 7 HG2 LYS 7 4.158 1.764 3.602
67 2HG LYS 7 HG1 LYS 7 2.666 2.554 4.112
68 1HD LYS 7 HD2 LYS 7 1.936 -0.076 4.257
69 2HD LYS 7 HD1 LYS 7 3.643 -0.173 4.689
70 1HE LYS 7 HE2 LYS 7 3.311 1.552 6.431
71 2HE LYS 7 HE1 LYS 7 1.590 1.644 6.004
72 1HZ LYS 7 HZ1 LYS 7 1.531 0.044 7.624
73 2HZ LYS 7 HZ2 LYS 7 3.078 -0.557 7.257
74 3HZ LYS 7 HZ3 LYS 7 1.757 -0.934 6.257
75 HA PRO 8 HA PRO 8 -1.033 3.064 -0.415
76 1HB PRO 8 HB2 PRO 8 -0.466 1.995 -2.866
77 2HB PRO 8 HB1 PRO 8 0.681 3.013 -1.971
78 1HG PRO 8 HG2 PRO 8 0.590 0.053 -2.240
79 2HG PRO 8 HG1 PRO 8 1.984 1.144 -2.221
80 1HD PRO 8 HD2 PRO 8 1.214 -0.339 -0.073
81 2HD PRO 8 HD1 PRO 8 2.067 1.213 0.056
82 H ILE 9 HN ILE 9 -1.089 -0.347 -1.538
83 HA ILE 9 HA ILE 9 -3.560 -0.473 -2.769
84 HB ILE 9 HB ILE 9 -2.141 -2.382 -0.897
85 1HG1 ILE 9 HG12 ILE 9 -2.459 -2.925 -3.791
86 2HG1 ILE 9 HG11 ILE 9 -1.473 -1.515 -3.399
87 1HG2 ILE 9 HG21 ILE 9 -3.609 -4.139 -1.977
88 2HG2 ILE 9 HG22 ILE 9 -4.603 -2.826 -2.607
89 3HG2 ILE 9 HG23 ILE 9 -4.454 -3.062 -0.866
90 1HD1 ILE 9 HD11 ILE 9 -0.151 -3.645 -3.545
91 2HD1 ILE 9 HD12 ILE 9 -1.073 -4.258 -2.173
92 3HD1 ILE 9 HD13 ILE 9 -0.030 -2.850 -1.975
93 H LYS 10 HN LYS 10 -2.935 -0.079 0.661
94 HA LYS 10 HA LYS 10 -5.461 -0.867 1.716
95 1HB LYS 10 HB2 LYS 10 -3.196 -0.218 2.819
96 2HB LYS 10 HB1 LYS 10 -3.805 1.435 2.739
97 1HG LYS 10 HG2 LYS 10 -5.138 -0.909 4.125
98 2HG LYS 10 HG1 LYS 10 -4.386 0.483 4.906
99 1HD LYS 10 HD2 LYS 10 -6.072 1.846 3.393
100 2HD LYS 10 HD1 LYS 10 -6.968 0.325 3.392
101 1HE LYS 10 HE2 LYS 10 -6.891 0.311 5.892
102 2HE LYS 10 HE1 LYS 10 -6.108 1.903 5.843
103 1HZ LYS 10 HZ1 LYS 10 -8.796 1.157 4.850
104 2HZ LYS 10 HZ2 LYS 10 -8.010 2.573 4.335
105 3HZ LYS 10 HZ3 LYS 10 -8.393 2.360 5.976
106 H LYS 11 HN LYS 11 -4.354 2.219 0.354
107 HA LYS 11 HA LYS 11 -6.823 3.641 0.968
108 1HB LYS 11 HB2 LYS 11 -4.553 4.203 -0.969
109 2HB LYS 11 HB1 LYS 11 -5.752 5.379 -0.430
110 1HG LYS 11 HG2 LYS 11 -4.276 3.901 1.692
111 2HG LYS 11 HG1 LYS 11 -3.367 5.108 0.782
112 1HD LYS 11 HD2 LYS 11 -5.146 6.779 1.274
113 2HD LYS 11 HD1 LYS 11 -5.976 5.571 2.256
114 1HE LYS 11 HE2 LYS 11 -4.736 6.518 3.950
115 2HE LYS 11 HE1 LYS 11 -3.465 5.446 3.329
116 1HZ LYS 11 HZ1 LYS 11 -2.468 7.516 3.208
117 2HZ LYS 11 HZ2 LYS 11 -3.906 8.309 2.773
118 3HZ LYS 11 HZ3 LYS 11 -3.092 7.338 1.641
119 H LEU 12 HN LEU 12 -5.421 2.226 -2.009
120 HA LEU 12 HA LEU 12 -7.760 2.878 -3.624
121 1HB LEU 12 HB2 LEU 12 -5.474 0.941 -4.105
122 2HB LEU 12 HB1 LEU 12 -6.501 1.683 -5.331
123 HG LEU 12 HG LEU 12 -4.808 3.303 -3.419
124 1HD1 LEU 12 HD11 LEU 12 -3.102 2.284 -4.595
125 2HD1 LEU 12 HD12 LEU 12 -3.494 3.575 -5.732
126 3HD1 LEU 12 HD13 LEU 12 -4.124 1.948 -5.993
127 1HD2 LEU 12 HD21 LEU 12 -5.273 5.117 -4.915
128 2HD2 LEU 12 HD22 LEU 12 -6.818 4.313 -4.634
129 3HD2 LEU 12 HD23 LEU 12 -5.936 4.028 -6.134
130 H PHE 13 HN PHE 13 -6.808 0.225 -1.569
131 HA PHE 13 HA PHE 13 -9.056 -1.436 -2.655
132 1HB PHE 13 HB2 PHE 13 -6.407 -2.027 -2.332
133 2HB PHE 13 HB1 PHE 13 -7.065 -2.604 -0.800
134 HD1 PHE 13 HD1 PHE 13 -6.499 -3.431 -4.196
135 HD2 PHE 13 HD2 PHE 13 -9.299 -4.010 -0.990
136 HE1 PHE 13 HE1 PHE 13 -7.386 -5.447 -5.335
137 HE2 PHE 13 HE2 PHE 13 -10.186 -6.027 -2.130
138 HZ PHE 13 HZ PHE 13 -9.229 -6.745 -4.302
139 1HN NH2 14 HN1 NH2 14 -10.234 0.352 -1.090
140 2HN NH2 14 HN2 NH2 14 -10.478 -0.184 0.502
Start of MODEL 13
1 1H ILE 1 HT1 ILE 1 -12.679 1.095 -1.503
2 2H ILE 1 HT2 ILE 1 -12.094 1.847 -0.097
3 3H ILE 1 HT3 ILE 1 -13.312 0.668 0.011
4 HA ILE 1 HA ILE 1 -11.572 -0.672 0.543
5 HB ILE 1 HB ILE 1 -12.608 -1.378 -1.609
6 1HG1 ILE 1 HG12 ILE 1 -9.720 -1.951 -2.042
7 2HG1 ILE 1 HG11 ILE 1 -10.369 -2.365 -0.455
8 1HG2 ILE 1 HG21 ILE 1 -11.165 0.830 -2.606
9 2HG2 ILE 1 HG22 ILE 1 -12.139 -0.308 -3.536
10 3HG2 ILE 1 HG23 ILE 1 -10.411 -0.593 -3.325
11 1HD1 ILE 1 HD11 ILE 1 -11.747 -3.186 -3.016
12 2HD1 ILE 1 HD12 ILE 1 -12.011 -3.816 -1.390
13 3HD1 ILE 1 HD13 ILE 1 -10.516 -4.189 -2.248
14 H LEU 2 HN LEU 2 -10.663 2.164 -1.264
15 HA LEU 2 HA LEU 2 -8.615 3.341 -1.363
16 1HB LEU 2 HB2 LEU 2 -8.624 1.720 1.131
17 2HB LEU 2 HB1 LEU 2 -7.065 2.380 0.638
18 HG LEU 2 HG LEU 2 -8.782 4.515 0.252
19 1HD1 LEU 2 HD11 LEU 2 -10.488 3.055 1.511
20 2HD1 LEU 2 HD12 LEU 2 -10.233 4.688 2.126
21 3HD1 LEU 2 HD13 LEU 2 -9.481 3.312 2.935
22 1HD2 LEU 2 HD21 LEU 2 -6.521 3.837 1.792
23 2HD2 LEU 2 HD22 LEU 2 -7.678 4.521 2.934
24 3HD2 LEU 2 HD23 LEU 2 -7.172 5.454 1.525
25 H GLY 3 HN GLY 3 -7.122 0.431 -0.058
26 1HA GLY 3 HA2 GLY 3 -6.474 -1.089 -2.254
27 2HA GLY 3 HA1 GLY 3 -5.347 0.263 -2.375
28 H LYS 4 HN LYS 4 -5.967 -2.730 -0.842
29 HA LYS 4 HA LYS 4 -4.177 -2.288 1.447
30 1HB LYS 4 HB2 LYS 4 -5.416 -4.794 0.260
31 2HB LYS 4 HB1 LYS 4 -4.696 -4.661 1.865
32 1HG LYS 4 HG2 LYS 4 -7.058 -3.018 0.908
33 2HG LYS 4 HG1 LYS 4 -7.189 -4.470 1.902
34 1HD LYS 4 HD2 LYS 4 -5.590 -3.300 3.537
35 2HD LYS 4 HD1 LYS 4 -5.919 -1.826 2.625
36 1HE LYS 4 HE2 LYS 4 -8.440 -3.045 3.122
37 2HE LYS 4 HE1 LYS 4 -7.547 -3.048 4.656
38 1HZ LYS 4 HZ1 LYS 4 -6.980 -0.726 4.290
39 2HZ LYS 4 HZ2 LYS 4 -8.666 -0.927 4.314
40 3HZ LYS 4 HZ3 LYS 4 -7.854 -0.717 2.837
41 H ILE 5 HN ILE 5 -3.462 -2.401 -1.698
42 HA ILE 5 HA ILE 5 -1.007 -4.078 -1.289
43 HB ILE 5 HB ILE 5 -2.676 -3.597 -3.780
44 1HG1 ILE 5 HG12 ILE 5 -2.371 -5.945 -1.890
45 2HG1 ILE 5 HG11 ILE 5 -3.853 -5.087 -2.314
46 1HG2 ILE 5 HG21 ILE 5 -0.193 -5.268 -3.289
47 2HG2 ILE 5 HG22 ILE 5 -0.339 -3.886 -4.374
48 3HG2 ILE 5 HG23 ILE 5 -1.193 -5.386 -4.737
49 1HD1 ILE 5 HD11 ILE 5 -2.424 -7.213 -3.781
50 2HD1 ILE 5 HD12 ILE 5 -2.968 -5.867 -4.783
51 3HD1 ILE 5 HD13 ILE 5 -4.132 -6.773 -3.816
52 H TRP 6 HN TRP 6 -2.323 -1.003 -2.166
53 HA TRP 6 HA TRP 6 0.253 -0.120 -3.386
54 1HB TRP 6 HB2 TRP 6 -1.694 0.442 -4.661
55 2HB TRP 6 HB1 TRP 6 -2.562 0.985 -3.225
56 HD1 TRP 6 HD1 TRP 6 -2.869 3.496 -3.616
57 HE1 TRP 6 HE1 TRP 6 -1.286 5.475 -4.086
58 HE3 TRP 6 HE3 TRP 6 1.505 0.968 -4.361
59 HZ2 TRP 6 HZ2 TRP 6 1.472 5.927 -4.698
60 HZ3 TRP 6 HZ3 TRP 6 3.592 2.196 -4.886
61 HH2 TRP 6 HH2 TRP 6 3.582 4.670 -5.055
62 H LYS 7 HN LYS 7 -1.727 0.191 -0.526
63 HA LYS 7 HA LYS 7 -0.410 2.595 0.487
64 1HB LYS 7 HB2 LYS 7 -2.659 2.167 1.152
65 2HB LYS 7 HB1 LYS 7 -2.292 0.496 1.581
66 1HG LYS 7 HG2 LYS 7 -0.568 2.273 3.058
67 2HG LYS 7 HG1 LYS 7 -2.250 2.752 3.288
68 1HD LYS 7 HD2 LYS 7 -2.792 0.820 4.389
69 2HD LYS 7 HD1 LYS 7 -1.702 -0.163 3.409
70 1HE LYS 7 HE2 LYS 7 -0.271 1.780 5.084
71 2HE LYS 7 HE1 LYS 7 -1.207 0.600 6.023
72 1HZ LYS 7 HZ1 LYS 7 -0.016 -1.128 5.227
73 2HZ LYS 7 HZ2 LYS 7 1.183 0.053 4.991
74 3HZ LYS 7 HZ3 LYS 7 0.197 -0.431 3.695
75 HA PRO 8 HA PRO 8 1.998 -0.578 2.940
76 1HB PRO 8 HB2 PRO 8 1.931 -3.224 2.258
77 2HB PRO 8 HB1 PRO 8 0.751 -2.479 3.355
78 1HG PRO 8 HG2 PRO 8 0.485 -3.180 0.482
79 2HG PRO 8 HG1 PRO 8 -0.705 -3.287 1.787
80 1HD PRO 8 HD2 PRO 8 -0.664 -1.293 -0.077
81 2HD PRO 8 HD1 PRO 8 -1.350 -1.114 1.551
82 H ILE 9 HN ILE 9 1.796 -1.432 -0.508
83 HA ILE 9 HA ILE 9 4.436 -2.387 -0.906
84 HB ILE 9 HB ILE 9 2.329 -1.002 -2.542
85 1HG1 ILE 9 HG12 ILE 9 3.738 -3.687 -2.683
86 2HG1 ILE 9 HG11 ILE 9 2.113 -3.393 -2.063
87 1HG2 ILE 9 HG21 ILE 9 3.829 -1.403 -4.560
88 2HG2 ILE 9 HG22 ILE 9 5.165 -1.601 -3.426
89 3HG2 ILE 9 HG23 ILE 9 4.312 -0.060 -3.522
90 1HD1 ILE 9 HD11 ILE 9 3.097 -3.365 -4.890
91 2HD1 ILE 9 HD12 ILE 9 1.761 -2.298 -4.455
92 3HD1 ILE 9 HD13 ILE 9 1.607 -4.041 -4.231
93 H LYS 10 HN LYS 10 3.240 0.958 -1.457
94 HA LYS 10 HA LYS 10 5.757 2.172 -1.914
95 1HB LYS 10 HB2 LYS 10 3.433 3.111 -2.239
96 2HB LYS 10 HB1 LYS 10 3.349 3.351 -0.493
97 1HG LYS 10 HG2 LYS 10 5.600 4.480 -2.163
98 2HG LYS 10 HG1 LYS 10 4.106 5.371 -1.875
99 1HD LYS 10 HD2 LYS 10 4.796 4.485 0.657
100 2HD LYS 10 HD1 LYS 10 6.356 4.880 -0.064
101 1HE LYS 10 HE2 LYS 10 5.724 6.970 0.776
102 2HE LYS 10 HE1 LYS 10 5.043 7.064 -0.860
103 1HZ LYS 10 HZ1 LYS 10 2.939 6.526 -0.116
104 2HZ LYS 10 HZ2 LYS 10 3.504 7.506 1.151
105 3HZ LYS 10 HZ3 LYS 10 3.500 5.815 1.318
106 H LYS 11 HN LYS 11 4.224 1.151 1.070
107 HA LYS 11 HA LYS 11 5.850 2.710 2.886
108 1HB LYS 11 HB2 LYS 11 3.671 0.905 2.931
109 2HB LYS 11 HB1 LYS 11 4.918 0.188 3.951
110 1HG LYS 11 HG2 LYS 11 4.853 2.981 4.515
111 2HG LYS 11 HG1 LYS 11 3.191 2.392 4.552
112 1HD LYS 11 HD2 LYS 11 4.467 0.382 5.880
113 2HD LYS 11 HD1 LYS 11 5.452 1.767 6.354
114 1HE LYS 11 HE2 LYS 11 3.102 2.914 6.771
115 2HE LYS 11 HE1 LYS 11 2.551 1.233 6.915
116 1HZ LYS 11 HZ1 LYS 11 5.026 2.113 8.254
117 2HZ LYS 11 HZ2 LYS 11 4.014 0.802 8.633
118 3HZ LYS 11 HZ3 LYS 11 3.523 2.389 8.990
119 H LEU 12 HN LEU 12 6.023 -0.693 1.776
120 HA LEU 12 HA LEU 12 8.668 -1.018 3.067
121 1HB LEU 12 HB2 LEU 12 6.621 -2.746 1.699
122 2HB LEU 12 HB1 LEU 12 8.258 -3.360 1.934
123 HG LEU 12 HG LEU 12 6.595 -2.190 4.177
124 1HD1 LEU 12 HD11 LEU 12 7.085 -5.128 3.895
125 2HD1 LEU 12 HD12 LEU 12 5.800 -4.403 2.929
126 3HD1 LEU 12 HD13 LEU 12 5.755 -4.286 4.688
127 1HD2 LEU 12 HD21 LEU 12 8.684 -4.185 4.724
128 2HD2 LEU 12 HD22 LEU 12 8.393 -2.626 5.495
129 3HD2 LEU 12 HD23 LEU 12 9.304 -2.708 3.987
130 H PHE 13 HN PHE 13 7.837 0.540 0.384
131 HA PHE 13 HA PHE 13 9.528 -0.780 -1.615
132 1HB PHE 13 HB2 PHE 13 7.386 0.902 -1.657
133 2HB PHE 13 HB1 PHE 13 8.699 2.052 -1.915
134 HD1 PHE 13 HD1 PHE 13 9.733 2.246 -4.026
135 HD2 PHE 13 HD2 PHE 13 7.319 -1.197 -3.145
136 HE1 PHE 13 HE1 PHE 13 9.911 1.516 -6.389
137 HE2 PHE 13 HE2 PHE 13 7.497 -1.926 -5.509
138 HZ PHE 13 HZ PHE 13 8.793 -0.570 -7.131
139 1HN NH2 14 HN1 NH2 14 9.804 2.129 0.486
140 2HN NH2 14 HN2 NH2 14 11.465 2.360 0.226
Start of MODEL 14
1 1H ILE 1 HT1 ILE 1 -9.847 2.733 3.211
2 2H ILE 1 HT2 ILE 1 -10.755 1.438 3.832
3 3H ILE 1 HT3 ILE 1 -11.264 2.237 2.421
4 HA ILE 1 HA ILE 1 -9.136 0.246 2.768
5 HB ILE 1 HB ILE 1 -11.352 0.972 0.842
6 1HG1 ILE 1 HG12 ILE 1 -11.980 -1.443 1.451
7 2HG1 ILE 1 HG11 ILE 1 -10.756 -1.327 2.716
8 1HG2 ILE 1 HG21 ILE 1 -10.600 -1.240 -0.290
9 2HG2 ILE 1 HG22 ILE 1 -9.052 -0.950 0.505
10 3HG2 ILE 1 HG23 ILE 1 -9.684 0.224 -0.650
11 1HD1 ILE 1 HD11 ILE 1 -12.027 0.064 3.994
12 2HD1 ILE 1 HD12 ILE 1 -13.365 -0.581 3.044
13 3HD1 ILE 1 HD13 ILE 1 -12.626 0.956 2.596
14 H LEU 2 HN LEU 2 -10.074 2.681 0.301
15 HA LEU 2 HA LEU 2 -8.723 3.875 -1.231
16 1HB LEU 2 HB2 LEU 2 -7.038 3.764 1.290
17 2HB LEU 2 HB1 LEU 2 -6.690 4.828 -0.074
18 HG LEU 2 HG LEU 2 -9.485 4.963 0.810
19 1HD1 LEU 2 HD11 LEU 2 -7.263 5.253 2.757
20 2HD1 LEU 2 HD12 LEU 2 -8.964 4.879 3.037
21 3HD1 LEU 2 HD13 LEU 2 -8.462 6.547 2.757
22 1HD2 LEU 2 HD21 LEU 2 -8.181 7.450 1.011
23 2HD2 LEU 2 HD22 LEU 2 -9.138 6.866 -0.351
24 3HD2 LEU 2 HD23 LEU 2 -7.392 6.618 -0.329
25 H GLY 3 HN GLY 3 -5.883 2.590 0.374
26 1HA GLY 3 HA2 GLY 3 -5.388 0.855 -2.015
27 2HA GLY 3 HA1 GLY 3 -4.112 1.804 -1.258
28 H LYS 4 HN LYS 4 -6.495 -0.724 -0.474
29 HA LYS 4 HA LYS 4 -5.296 -1.590 1.968
30 1HB LYS 4 HB2 LYS 4 -7.383 -2.343 0.129
31 2HB LYS 4 HB1 LYS 4 -6.491 -3.785 0.616
32 1HG LYS 4 HG2 LYS 4 -7.226 -1.813 2.739
33 2HG LYS 4 HG1 LYS 4 -8.502 -2.846 2.092
34 1HD LYS 4 HD2 LYS 4 -6.055 -4.343 2.631
35 2HD LYS 4 HD1 LYS 4 -6.678 -3.551 4.079
36 1HE LYS 4 HE2 LYS 4 -8.039 -5.393 4.205
37 2HE LYS 4 HE1 LYS 4 -8.988 -4.551 2.964
38 1HZ LYS 4 HZ1 LYS 4 -7.079 -6.746 2.666
39 2HZ LYS 4 HZ2 LYS 4 -7.115 -5.575 1.436
40 3HZ LYS 4 HZ3 LYS 4 -8.520 -6.448 1.824
41 H ILE 5 HN ILE 5 -4.190 -1.858 -1.259
42 HA ILE 5 HA ILE 5 -2.044 -3.733 -0.381
43 HB ILE 5 HB ILE 5 -3.905 -5.009 -1.441
44 1HG1 ILE 5 HG12 ILE 5 -1.634 -4.928 -3.418
45 2HG1 ILE 5 HG11 ILE 5 -1.352 -5.479 -1.766
46 1HG2 ILE 5 HG21 ILE 5 -4.963 -4.215 -3.263
47 2HG2 ILE 5 HG22 ILE 5 -3.444 -4.127 -4.154
48 3HG2 ILE 5 HG23 ILE 5 -3.961 -2.767 -3.158
49 1HD1 ILE 5 HD11 ILE 5 -2.658 -6.865 -3.966
50 2HD1 ILE 5 HD12 ILE 5 -3.698 -6.788 -2.543
51 3HD1 ILE 5 HD13 ILE 5 -2.091 -7.505 -2.423
52 H TRP 6 HN TRP 6 -1.948 -0.884 -0.828
53 HA TRP 6 HA TRP 6 0.048 -0.821 -3.028
54 1HB TRP 6 HB2 TRP 6 -2.255 -0.252 -3.896
55 2HB TRP 6 HB1 TRP 6 -2.265 1.126 -2.795
56 HD1 TRP 6 HD1 TRP 6 -1.777 3.221 -4.137
57 HE1 TRP 6 HE1 TRP 6 -0.090 3.895 -5.966
58 HE3 TRP 6 HE3 TRP 6 0.540 -1.266 -4.896
59 HZ2 TRP 6 HZ2 TRP 6 1.971 2.690 -7.542
60 HZ3 TRP 6 HZ3 TRP 6 2.360 -1.475 -6.565
61 HH2 TRP 6 HH2 TRP 6 3.077 0.496 -7.888
62 H LYS 7 HN LYS 7 -1.551 0.871 -0.351
63 HA LYS 7 HA LYS 7 0.302 3.030 -0.073
64 1HB LYS 7 HB2 LYS 7 -1.816 1.662 1.485
65 2HB LYS 7 HB1 LYS 7 -0.648 2.572 2.444
66 1HG LYS 7 HG2 LYS 7 -1.661 4.493 1.866
67 2HG LYS 7 HG1 LYS 7 -1.335 4.153 0.166
68 1HD LYS 7 HD2 LYS 7 -3.464 3.480 -0.227
69 2HD LYS 7 HD1 LYS 7 -3.546 2.567 1.280
70 1HE LYS 7 HE2 LYS 7 -3.594 5.584 1.341
71 2HE LYS 7 HE1 LYS 7 -5.083 4.662 1.049
72 1HZ LYS 7 HZ1 LYS 7 -3.206 4.136 3.291
73 2HZ LYS 7 HZ2 LYS 7 -4.718 3.406 3.034
74 3HZ LYS 7 HZ3 LYS 7 -4.625 5.053 3.442
75 HA PRO 8 HA PRO 8 2.601 0.264 3.021
76 1HB PRO 8 HB2 PRO 8 2.022 -2.407 3.117
77 2HB PRO 8 HB1 PRO 8 1.187 -1.202 4.117
78 1HG PRO 8 HG2 PRO 8 0.300 -2.517 1.602
79 2HG PRO 8 HG1 PRO 8 -0.633 -2.097 3.047
80 1HD PRO 8 HD2 PRO 8 -0.682 -0.633 0.752
81 2HD PRO 8 HD1 PRO 8 -0.975 0.056 2.362
82 H ILE 9 HN ILE 9 1.623 -1.431 0.049
83 HA ILE 9 HA ILE 9 4.101 -2.811 -0.407
84 HB ILE 9 HB ILE 9 1.759 -1.896 -2.078
85 1HG1 ILE 9 HG12 ILE 9 2.754 -4.700 -1.574
86 2HG1 ILE 9 HG11 ILE 9 1.753 -3.865 -0.386
87 1HG2 ILE 9 HG21 ILE 9 4.371 -3.064 -2.974
88 2HG2 ILE 9 HG22 ILE 9 3.344 -1.877 -3.778
89 3HG2 ILE 9 HG23 ILE 9 2.890 -3.581 -3.781
90 1HD1 ILE 9 HD11 ILE 9 -0.120 -4.077 -1.645
91 2HD1 ILE 9 HD12 ILE 9 0.782 -5.319 -2.515
92 3HD1 ILE 9 HD13 ILE 9 0.730 -3.669 -3.135
93 H LYS 10 HN LYS 10 3.166 0.511 -0.782
94 HA LYS 10 HA LYS 10 5.283 1.151 -2.727
95 1HB LYS 10 HB2 LYS 10 2.971 2.223 -2.504
96 2HB LYS 10 HB1 LYS 10 3.581 3.010 -1.049
97 1HG LYS 10 HG2 LYS 10 4.979 3.207 -3.725
98 2HG LYS 10 HG1 LYS 10 3.776 4.379 -3.186
99 1HD LYS 10 HD2 LYS 10 5.379 4.261 -0.987
100 2HD LYS 10 HD1 LYS 10 6.559 3.974 -2.266
101 1HE LYS 10 HE2 LYS 10 6.568 6.201 -2.682
102 2HE LYS 10 HE1 LYS 10 4.866 6.080 -3.168
103 1HZ LYS 10 HZ1 LYS 10 4.598 5.911 -0.549
104 2HZ LYS 10 HZ2 LYS 10 4.596 7.403 -1.362
105 3HZ LYS 10 HZ3 LYS 10 6.009 6.852 -0.595
106 H LYS 11 HN LYS 11 4.753 1.310 0.753
107 HA LYS 11 HA LYS 11 7.005 3.021 1.369
108 1HB LYS 11 HB2 LYS 11 4.888 1.538 2.683
109 2HB LYS 11 HB1 LYS 11 6.410 1.331 3.550
110 1HG LYS 11 HG2 LYS 11 5.812 4.091 2.643
111 2HG LYS 11 HG1 LYS 11 4.771 3.460 3.920
112 1HD LYS 11 HD2 LYS 11 6.734 2.900 5.278
113 2HD LYS 11 HD1 LYS 11 7.803 3.462 3.992
114 1HE LYS 11 HE2 LYS 11 7.642 5.583 4.764
115 2HE LYS 11 HE1 LYS 11 5.876 5.527 4.592
116 1HZ LYS 11 HZ1 LYS 11 6.689 5.806 6.931
117 2HZ LYS 11 HZ2 LYS 11 7.335 4.237 6.831
118 3HZ LYS 11 HZ3 LYS 11 5.659 4.480 6.690
119 H LEU 12 HN LEU 12 6.556 -0.501 1.905
120 HA LEU 12 HA LEU 12 9.236 -1.110 2.571
121 1HB LEU 12 HB2 LEU 12 6.769 -2.450 1.798
122 2HB LEU 12 HB1 LEU 12 8.185 -3.309 1.190
123 HG LEU 12 HG LEU 12 8.169 -2.333 4.028
124 1HD1 LEU 12 HD11 LEU 12 6.188 -3.511 4.230
125 2HD1 LEU 12 HD12 LEU 12 7.338 -4.835 4.419
126 3HD1 LEU 12 HD13 LEU 12 6.553 -4.564 2.863
127 1HD2 LEU 12 HD21 LEU 12 9.883 -3.863 4.295
128 2HD2 LEU 12 HD22 LEU 12 10.081 -3.516 2.577
129 3HD2 LEU 12 HD23 LEU 12 9.223 -4.969 3.090
130 H PHE 13 HN PHE 13 7.684 -1.684 -0.597
131 HA PHE 13 HA PHE 13 10.268 -1.995 -1.928
132 1HB PHE 13 HB2 PHE 13 7.490 -1.671 -3.097
133 2HB PHE 13 HB1 PHE 13 8.872 -2.475 -3.838
134 HD1 PHE 13 HD1 PHE 13 9.750 -3.694 -1.042
135 HD2 PHE 13 HD2 PHE 13 6.105 -3.712 -3.315
136 HE1 PHE 13 HE1 PHE 13 9.089 -5.828 0.035
137 HE2 PHE 13 HE2 PHE 13 5.444 -5.846 -2.238
138 HZ PHE 13 HZ PHE 13 6.936 -6.904 -0.563
139 1HN NH2 14 HN1 NH2 14 9.410 -0.564 -4.402
140 2HN NH2 14 HN2 NH2 14 9.626 1.092 -4.100
Start of MODEL 15
1 1H ILE 1 HT1 ILE 1 9.765 4.430 3.685
2 2H ILE 1 HT2 ILE 1 8.202 4.023 4.211
3 3H ILE 1 HT3 ILE 1 8.437 5.359 3.188
4 HA ILE 1 HA ILE 1 7.705 3.794 1.678
5 HB ILE 1 HB ILE 1 10.708 3.412 1.905
6 1HG1 ILE 1 HG12 ILE 1 9.099 5.597 0.544
7 2HG1 ILE 1 HG11 ILE 1 10.049 5.796 2.017
8 1HG2 ILE 1 HG21 ILE 1 10.673 2.926 -0.418
9 2HG2 ILE 1 HG22 ILE 1 9.022 3.521 -0.599
10 3HG2 ILE 1 HG23 ILE 1 9.325 2.004 0.248
11 1HD1 ILE 1 HD11 ILE 1 11.951 6.041 0.837
12 2HD1 ILE 1 HD12 ILE 1 10.964 6.088 -0.624
13 3HD1 ILE 1 HD13 ILE 1 11.641 4.558 -0.065
14 H LEU 2 HN LEU 2 6.600 2.222 3.165
15 HA LEU 2 HA LEU 2 8.135 -0.352 3.346
16 1HB LEU 2 HB2 LEU 2 6.071 0.788 5.260
17 2HB LEU 2 HB1 LEU 2 6.948 -0.728 5.468
18 HG LEU 2 HG LEU 2 8.628 1.667 4.990
19 1HD1 LEU 2 HD11 LEU 2 7.173 1.237 7.619
20 2HD1 LEU 2 HD12 LEU 2 6.874 2.565 6.498
21 3HD1 LEU 2 HD13 LEU 2 8.430 2.436 7.317
22 1HD2 LEU 2 HD21 LEU 2 8.700 -0.618 6.989
23 2HD2 LEU 2 HD22 LEU 2 9.990 0.556 6.730
24 3HD2 LEU 2 HD23 LEU 2 9.558 -0.575 5.448
25 H GLY 3 HN GLY 3 7.146 -1.962 2.197
26 1HA GLY 3 HA2 GLY 3 5.344 -3.311 1.430
27 2HA GLY 3 HA1 GLY 3 4.214 -2.130 2.091
28 H LYS 4 HN LYS 4 6.209 -2.937 -0.681
29 HA LYS 4 HA LYS 4 5.802 -0.606 -2.266
30 1HB LYS 4 HB2 LYS 4 7.411 -2.374 -2.777
31 2HB LYS 4 HB1 LYS 4 6.105 -3.541 -2.982
32 1HG LYS 4 HG2 LYS 4 5.204 -1.962 -4.800
33 2HG LYS 4 HG1 LYS 4 6.780 -1.172 -4.730
34 1HD LYS 4 HD2 LYS 4 6.892 -4.117 -4.896
35 2HD LYS 4 HD1 LYS 4 6.213 -3.326 -6.320
36 1HE LYS 4 HE2 LYS 4 8.189 -2.106 -6.740
37 2HE LYS 4 HE1 LYS 4 8.782 -2.326 -5.082
38 1HZ LYS 4 HZ1 LYS 4 8.613 -4.315 -7.259
39 2HZ LYS 4 HZ2 LYS 4 8.630 -4.811 -5.634
40 3HZ LYS 4 HZ3 LYS 4 9.938 -3.934 -6.271
41 H ILE 5 HN ILE 5 3.563 -2.985 -1.217
42 HA ILE 5 HA ILE 5 1.531 -1.924 -3.144
43 HB ILE 5 HB ILE 5 1.858 -4.805 -2.248
44 1HG1 ILE 5 HG12 ILE 5 2.757 -3.368 -4.761
45 2HG1 ILE 5 HG11 ILE 5 3.759 -4.272 -3.625
46 1HG2 ILE 5 HG21 ILE 5 -0.005 -5.271 -3.481
47 2HG2 ILE 5 HG22 ILE 5 0.393 -4.076 -4.716
48 3HG2 ILE 5 HG23 ILE 5 -0.371 -3.568 -3.209
49 1HD1 ILE 5 HD11 ILE 5 2.317 -5.250 -5.917
50 2HD1 ILE 5 HD12 ILE 5 1.700 -6.032 -4.461
51 3HD1 ILE 5 HD13 ILE 5 3.418 -6.125 -4.852
52 H TRP 6 HN TRP 6 2.421 -2.198 0.026
53 HA TRP 6 HA TRP 6 -0.248 -2.837 1.130
54 1HB TRP 6 HB2 TRP 6 2.500 -2.887 1.949
55 2HB TRP 6 HB1 TRP 6 1.608 -1.859 3.070
56 HD1 TRP 6 HD1 TRP 6 2.701 -5.103 3.222
57 HE1 TRP 6 HE1 TRP 6 1.026 -6.759 4.268
58 HE3 TRP 6 HE3 TRP 6 -1.605 -2.390 2.795
59 HZ2 TRP 6 HZ2 TRP 6 -1.771 -6.913 4.847
60 HZ3 TRP 6 HZ3 TRP 6 -3.758 -3.315 3.601
61 HH2 TRP 6 HH2 TRP 6 -3.847 -5.571 4.626
62 H LYS 7 HN LYS 7 1.812 -0.046 0.519
63 HA LYS 7 HA LYS 7 0.396 1.836 2.176
64 1HB LYS 7 HB2 LYS 7 2.018 2.227 -0.361
65 2HB LYS 7 HB1 LYS 7 1.655 3.473 0.832
66 1HG LYS 7 HG2 LYS 7 2.721 1.642 2.477
67 2HG LYS 7 HG1 LYS 7 3.564 1.190 0.995
68 1HD LYS 7 HD2 LYS 7 3.540 3.906 2.334
69 2HD LYS 7 HD1 LYS 7 4.924 2.836 2.110
70 1HE LYS 7 HE2 LYS 7 3.368 4.265 -0.074
71 2HE LYS 7 HE1 LYS 7 5.058 4.544 0.394
72 1HZ LYS 7 HZ1 LYS 7 3.870 2.175 -0.906
73 2HZ LYS 7 HZ2 LYS 7 5.301 2.032 -0.002
74 3HZ LYS 7 HZ3 LYS 7 5.248 3.054 -1.358
75 HA PRO 8 HA PRO 8 -2.119 2.717 -1.701
76 1HB PRO 8 HB2 PRO 8 -2.125 0.937 -3.775
77 2HB PRO 8 HB1 PRO 8 -0.954 2.265 -3.651
78 1HG PRO 8 HG2 PRO 8 -0.625 -0.616 -2.994
79 2HG PRO 8 HG1 PRO 8 0.511 0.505 -3.760
80 1HD PRO 8 HD2 PRO 8 0.667 -0.228 -1.148
81 2HD PRO 8 HD1 PRO 8 1.246 1.333 -1.764
82 H ILE 9 HN ILE 9 -1.832 -0.824 -1.275
83 HA ILE 9 HA ILE 9 -4.490 -1.608 -1.694
84 HB ILE 9 HB ILE 9 -2.275 -2.496 0.154
85 1HG1 ILE 9 HG12 ILE 9 -3.609 -3.806 -2.236
86 2HG1 ILE 9 HG11 ILE 9 -2.131 -2.847 -2.323
87 1HG2 ILE 9 HG21 ILE 9 -4.918 -3.931 -0.239
88 2HG2 ILE 9 HG22 ILE 9 -4.492 -3.026 1.214
89 3HG2 ILE 9 HG23 ILE 9 -3.568 -4.460 0.765
90 1HD1 ILE 9 HD11 ILE 9 -2.570 -5.514 -0.995
91 2HD1 ILE 9 HD12 ILE 9 -1.252 -4.463 -0.478
92 3HD1 ILE 9 HD13 ILE 9 -1.315 -5.044 -2.142
93 H LYS 10 HN LYS 10 -3.172 0.303 0.904
94 HA LYS 10 HA LYS 10 -5.349 -0.162 2.789
95 1HB LYS 10 HB2 LYS 10 -2.949 0.546 3.263
96 2HB LYS 10 HB1 LYS 10 -3.382 2.138 2.639
97 1HG LYS 10 HG2 LYS 10 -4.954 0.795 4.844
98 2HG LYS 10 HG1 LYS 10 -3.564 1.830 5.176
99 1HD LYS 10 HD2 LYS 10 -4.910 3.431 3.468
100 2HD LYS 10 HD1 LYS 10 -6.267 2.555 4.177
101 1HE LYS 10 HE2 LYS 10 -5.585 3.202 6.425
102 2HE LYS 10 HE1 LYS 10 -4.111 3.962 5.792
103 1HZ LYS 10 HZ1 LYS 10 -6.698 4.723 4.637
104 2HZ LYS 10 HZ2 LYS 10 -5.277 5.641 4.799
105 3HZ LYS 10 HZ3 LYS 10 -6.276 5.369 6.147
106 H LYS 11 HN LYS 11 -4.607 2.227 0.289
107 HA LYS 11 HA LYS 11 -6.905 3.927 0.996
108 1HB LYS 11 HB2 LYS 11 -4.788 3.877 -1.165
109 2HB LYS 11 HB1 LYS 11 -6.086 5.071 -1.161
110 1HG LYS 11 HG2 LYS 11 -5.095 6.270 0.473
111 2HG LYS 11 HG1 LYS 11 -4.839 4.832 1.462
112 1HD LYS 11 HD2 LYS 11 -2.655 4.864 0.934
113 2HD LYS 11 HD1 LYS 11 -3.071 4.668 -0.769
114 1HE LYS 11 HE2 LYS 11 -3.469 7.188 -0.845
115 2HE LYS 11 HE1 LYS 11 -2.708 7.263 0.757
116 1HZ LYS 11 HZ1 LYS 11 -1.488 5.912 -1.589
117 2HZ LYS 11 HZ2 LYS 11 -0.760 6.213 -0.083
118 3HZ LYS 11 HZ3 LYS 11 -1.118 7.503 -1.130
119 H LEU 12 HN LEU 12 -5.959 1.982 -1.871
120 HA LEU 12 HA LEU 12 -8.315 2.226 -3.373
121 1HB LEU 12 HB2 LEU 12 -6.034 0.399 -3.106
122 2HB LEU 12 HB1 LEU 12 -7.475 -0.389 -3.749
123 HG LEU 12 HG LEU 12 -7.104 2.225 -4.954
124 1HD1 LEU 12 HD11 LEU 12 -4.905 2.243 -5.424
125 2HD1 LEU 12 HD12 LEU 12 -5.032 0.641 -6.150
126 3HD1 LEU 12 HD13 LEU 12 -4.694 0.803 -4.426
127 1HD2 LEU 12 HD21 LEU 12 -6.738 -0.163 -6.618
128 2HD2 LEU 12 HD22 LEU 12 -7.972 1.093 -6.716
129 3HD2 LEU 12 HD23 LEU 12 -8.171 -0.254 -5.594
130 H PHE 13 HN PHE 13 -7.620 0.009 -0.688
131 HA PHE 13 HA PHE 13 -10.442 -0.975 -0.805
132 1HB PHE 13 HB2 PHE 13 -7.808 -2.004 0.219
133 2HB PHE 13 HB1 PHE 13 -9.309 -2.661 0.870
134 HD1 PHE 13 HD1 PHE 13 -11.152 -2.862 -1.266
135 HD2 PHE 13 HD2 PHE 13 -6.893 -3.409 -1.396
136 HE1 PHE 13 HE1 PHE 13 -11.397 -4.295 -3.275
137 HE2 PHE 13 HE2 PHE 13 -7.139 -4.842 -3.405
138 HZ PHE 13 HZ PHE 13 -9.391 -5.285 -4.345
139 1HN NH2 14 HN1 NH2 14 -11.426 -1.340 1.490
140 2HN NH2 14 HN2 NH2 14 -11.115 -0.158 2.668
Start of MODEL 16
1 1H ILE 1 HT1 ILE 1 7.400 5.247 4.953
2 2H ILE 1 HT2 ILE 1 6.589 4.001 4.131
3 3H ILE 1 HT3 ILE 1 6.832 5.504 3.376
4 HA ILE 1 HA ILE 1 8.977 5.059 2.827
5 HB ILE 1 HB ILE 1 8.882 3.580 5.465
6 1HG1 ILE 1 HG12 ILE 1 10.701 5.844 4.651
7 2HG1 ILE 1 HG11 ILE 1 9.055 6.166 5.194
8 1HG2 ILE 1 HG21 ILE 1 10.354 2.324 3.950
9 2HG2 ILE 1 HG22 ILE 1 11.310 3.175 5.163
10 3HG2 ILE 1 HG23 ILE 1 11.201 3.810 3.522
11 1HD1 ILE 1 HD11 ILE 1 11.192 5.942 6.876
12 2HD1 ILE 1 HD12 ILE 1 10.579 4.288 6.893
13 3HD1 ILE 1 HD13 ILE 1 9.525 5.624 7.357
14 H LEU 2 HN LEU 2 9.073 3.754 1.046
15 HA LEU 2 HA LEU 2 8.771 1.867 -0.347
16 1HB LEU 2 HB2 LEU 2 9.902 1.119 2.228
17 2HB LEU 2 HB1 LEU 2 9.003 -0.221 1.515
18 HG LEU 2 HG LEU 2 11.163 1.386 0.117
19 1HD1 LEU 2 HD11 LEU 2 12.449 -0.730 0.256
20 2HD1 LEU 2 HD12 LEU 2 11.144 -1.449 1.200
21 3HD1 LEU 2 HD13 LEU 2 12.066 -0.098 1.857
22 1HD2 LEU 2 HD21 LEU 2 9.775 0.658 -1.614
23 2HD2 LEU 2 HD22 LEU 2 9.269 -0.786 -0.736
24 3HD2 LEU 2 HD23 LEU 2 10.876 -0.712 -1.458
25 H GLY 3 HN GLY 3 7.589 -0.606 0.120
26 1HA GLY 3 HA2 GLY 3 5.515 -1.542 1.117
27 2HA GLY 3 HA1 GLY 3 4.845 0.088 1.081
28 H LYS 4 HN LYS 4 5.858 -2.611 -0.967
29 HA LYS 4 HA LYS 4 4.707 -1.391 -3.387
30 1HB LYS 4 HB2 LYS 4 6.725 -3.129 -2.895
31 2HB LYS 4 HB1 LYS 4 5.428 -4.275 -3.239
32 1HG LYS 4 HG2 LYS 4 6.332 -1.999 -5.028
33 2HG LYS 4 HG1 LYS 4 6.586 -3.721 -5.317
34 1HD LYS 4 HD2 LYS 4 4.062 -3.993 -5.259
35 2HD LYS 4 HD1 LYS 4 3.950 -2.233 -5.268
36 1HE LYS 4 HE2 LYS 4 4.044 -2.375 -7.536
37 2HE LYS 4 HE1 LYS 4 5.751 -2.822 -7.338
38 1HZ LYS 4 HZ1 LYS 4 3.519 -4.763 -7.100
39 2HZ LYS 4 HZ2 LYS 4 5.181 -5.103 -7.181
40 3HZ LYS 4 HZ3 LYS 4 4.366 -4.504 -8.546
41 H ILE 5 HN ILE 5 3.623 -3.384 -0.780
42 HA ILE 5 HA ILE 5 1.118 -4.010 -2.310
43 HB ILE 5 HB ILE 5 2.372 -5.641 -0.084
44 1HG1 ILE 5 HG12 ILE 5 3.901 -5.445 -2.055
45 2HG1 ILE 5 HG11 ILE 5 3.300 -7.087 -1.820
46 1HG2 ILE 5 HG21 ILE 5 0.813 -7.097 -2.013
47 2HG2 ILE 5 HG22 ILE 5 -0.126 -5.722 -1.433
48 3HG2 ILE 5 HG23 ILE 5 0.517 -6.897 -0.286
49 1HD1 ILE 5 HD11 ILE 5 1.910 -5.135 -3.658
50 2HD1 ILE 5 HD12 ILE 5 1.744 -6.890 -3.603
51 3HD1 ILE 5 HD13 ILE 5 3.228 -6.163 -4.220
52 H TRP 6 HN TRP 6 2.491 -2.366 0.308
53 HA TRP 6 HA TRP 6 0.010 -2.503 1.958
54 1HB TRP 6 HB2 TRP 6 2.841 -2.259 2.404
55 2HB TRP 6 HB1 TRP 6 2.036 -0.847 3.087
56 HD1 TRP 6 HD1 TRP 6 3.192 -3.894 4.320
57 HE1 TRP 6 HE1 TRP 6 1.716 -4.888 6.186
58 HE3 TRP 6 HE3 TRP 6 -1.084 -1.200 3.592
59 HZ2 TRP 6 HZ2 TRP 6 -0.929 -4.581 7.231
60 HZ3 TRP 6 HZ3 TRP 6 -3.064 -1.570 5.035
61 HH2 TRP 6 HH2 TRP 6 -2.992 -3.255 6.852
62 H LYS 7 HN LYS 7 1.904 -0.347 -0.066
63 HA LYS 7 HA LYS 7 0.580 2.107 0.760
64 1HB LYS 7 HB2 LYS 7 2.877 1.718 -0.353
65 2HB LYS 7 HB1 LYS 7 1.978 1.555 -1.863
66 1HG LYS 7 HG2 LYS 7 1.777 3.788 -2.036
67 2HG LYS 7 HG1 LYS 7 1.045 3.877 -0.434
68 1HD LYS 7 HD2 LYS 7 3.196 4.022 0.631
69 2HD LYS 7 HD1 LYS 7 4.031 3.649 -0.877
70 1HE LYS 7 HE2 LYS 7 3.541 5.765 -1.815
71 2HE LYS 7 HE1 LYS 7 2.237 6.074 -0.650
72 1HZ LYS 7 HZ1 LYS 7 5.148 6.145 -0.238
73 2HZ LYS 7 HZ2 LYS 7 4.143 5.719 1.064
74 3HZ LYS 7 HZ3 LYS 7 3.961 7.228 0.306
75 HA PRO 8 HA PRO 8 -2.050 1.259 -3.036
76 1HB PRO 8 HB2 PRO 8 -2.080 -1.226 -4.172
77 2HB PRO 8 HB1 PRO 8 -0.917 0.033 -4.636
78 1HG PRO 8 HG2 PRO 8 -0.548 -2.330 -2.880
79 2HG PRO 8 HG1 PRO 8 0.576 -1.583 -4.025
80 1HD PRO 8 HD2 PRO 8 0.683 -1.236 -1.311
81 2HD PRO 8 HD1 PRO 8 1.338 -0.084 -2.492
82 H ILE 9 HN ILE 9 -1.716 -1.624 -0.973
83 HA ILE 9 HA ILE 9 -4.395 -2.553 -1.052
84 HB ILE 9 HB ILE 9 -2.105 -2.614 0.899
85 1HG1 ILE 9 HG12 ILE 9 -3.651 -4.702 -0.671
86 2HG1 ILE 9 HG11 ILE 9 -2.040 -4.088 -1.049
87 1HG2 ILE 9 HG21 ILE 9 -3.588 -4.322 2.176
88 2HG2 ILE 9 HG22 ILE 9 -4.945 -3.502 1.405
89 3HG2 ILE 9 HG23 ILE 9 -3.866 -2.606 2.474
90 1HD1 ILE 9 HD11 ILE 9 -2.875 -6.061 0.989
91 2HD1 ILE 9 HD12 ILE 9 -1.695 -4.873 1.542
92 3HD1 ILE 9 HD13 ILE 9 -1.333 -5.893 0.149
93 H LYS 10 HN LYS 10 -2.898 0.024 0.889
94 HA LYS 10 HA LYS 10 -5.214 0.524 2.553
95 1HB LYS 10 HB2 LYS 10 -3.030 1.209 3.273
96 2HB LYS 10 HB1 LYS 10 -2.736 2.079 1.767
97 1HG LYS 10 HG2 LYS 10 -5.161 2.972 3.156
98 2HG LYS 10 HG1 LYS 10 -3.690 3.215 4.100
99 1HD LYS 10 HD2 LYS 10 -3.666 3.972 1.202
100 2HD LYS 10 HD1 LYS 10 -4.484 5.039 2.344
101 1HE LYS 10 HE2 LYS 10 -2.278 5.874 2.370
102 2HE LYS 10 HE1 LYS 10 -2.264 4.760 3.751
103 1HZ LYS 10 HZ1 LYS 10 -1.218 3.118 2.538
104 2HZ LYS 10 HZ2 LYS 10 -0.460 4.514 1.934
105 3HZ LYS 10 HZ3 LYS 10 -1.692 3.759 1.041
106 H LYS 11 HN LYS 11 -4.329 1.405 -0.692
107 HA LYS 11 HA LYS 11 -5.916 3.799 -0.954
108 1HB LYS 11 HB2 LYS 11 -4.013 2.825 -2.408
109 2HB LYS 11 HB1 LYS 11 -5.259 1.804 -3.128
110 1HG LYS 11 HG2 LYS 11 -5.361 3.621 -4.559
111 2HG LYS 11 HG1 LYS 11 -6.545 4.119 -3.349
112 1HD LYS 11 HD2 LYS 11 -5.069 5.635 -2.340
113 2HD LYS 11 HD1 LYS 11 -3.643 4.836 -3.003
114 1HE LYS 11 HE2 LYS 11 -3.876 5.849 -5.086
115 2HE LYS 11 HE1 LYS 11 -5.632 6.037 -4.909
116 1HZ LYS 11 HZ1 LYS 11 -4.431 8.146 -4.583
117 2HZ LYS 11 HZ2 LYS 11 -3.600 7.459 -3.270
118 3HZ LYS 11 HZ3 LYS 11 -5.284 7.672 -3.196
119 H LEU 12 HN LEU 12 -6.544 0.438 -2.053
120 HA LEU 12 HA LEU 12 -9.396 1.084 -2.485
121 1HB LEU 12 HB2 LEU 12 -7.551 -1.257 -2.967
122 2HB LEU 12 HB1 LEU 12 -9.295 -1.422 -3.172
123 HG LEU 12 HG LEU 12 -7.490 0.550 -4.601
124 1HD1 LEU 12 HD11 LEU 12 -9.219 -1.683 -5.701
125 2HD1 LEU 12 HD12 LEU 12 -7.495 -1.856 -5.374
126 3HD1 LEU 12 HD13 LEU 12 -8.050 -0.703 -6.587
127 1HD2 LEU 12 HD21 LEU 12 -10.485 0.274 -4.410
128 2HD2 LEU 12 HD22 LEU 12 -9.744 0.932 -5.869
129 3HD2 LEU 12 HD23 LEU 12 -9.502 1.736 -4.318
130 H PHE 13 HN PHE 13 -8.190 1.019 0.291
131 HA PHE 13 HA PHE 13 -9.680 -1.298 1.459
132 1HB PHE 13 HB2 PHE 13 -7.142 -0.116 1.880
133 2HB PHE 13 HB1 PHE 13 -8.098 0.256 3.314
134 HD1 PHE 13 HD1 PHE 13 -8.173 -2.702 1.018
135 HD2 PHE 13 HD2 PHE 13 -7.442 -1.246 4.993
136 HE1 PHE 13 HE1 PHE 13 -7.884 -5.031 1.818
137 HE2 PHE 13 HE2 PHE 13 -7.153 -3.576 5.793
138 HZ PHE 13 HZ PHE 13 -7.375 -5.469 4.205
139 1HN NH2 14 HN1 NH2 14 -9.883 0.011 4.096
140 2HN NH2 14 HN2 NH2 14 -11.087 1.201 3.971
Start of MODEL 17
1 1H ILE 1 HT1 ILE 1 -8.220 3.723 -0.833
2 2H ILE 1 HT2 ILE 1 -8.735 5.302 -1.189
3 3H ILE 1 HT3 ILE 1 -9.514 4.405 0.025
4 HA ILE 1 HA ILE 1 -6.801 5.601 0.091
5 HB ILE 1 HB ILE 1 -7.762 6.793 1.945
6 1HG1 ILE 1 HG12 ILE 1 -10.206 5.019 1.664
7 2HG1 ILE 1 HG11 ILE 1 -8.946 4.772 2.874
8 1HG2 ILE 1 HG21 ILE 1 -9.644 7.916 0.900
9 2HG2 ILE 1 HG22 ILE 1 -9.939 6.529 -0.149
10 3HG2 ILE 1 HG23 ILE 1 -8.480 7.498 -0.357
11 1HD1 ILE 1 HD11 ILE 1 -9.386 7.292 3.454
12 2HD1 ILE 1 HD12 ILE 1 -10.495 6.060 4.058
13 3HD1 ILE 1 HD13 ILE 1 -10.928 7.019 2.642
14 H LEU 2 HN LEU 2 -8.875 3.016 1.279
15 HA LEU 2 HA LEU 2 -7.521 2.258 3.641
16 1HB LEU 2 HB2 LEU 2 -9.296 1.072 1.602
17 2HB LEU 2 HB1 LEU 2 -8.326 -0.106 2.487
18 HG LEU 2 HG LEU 2 -9.732 2.065 4.007
19 1HD1 LEU 2 HD11 LEU 2 -11.810 1.105 3.858
20 2HD1 LEU 2 HD12 LEU 2 -11.157 -0.519 3.642
21 3HD1 LEU 2 HD13 LEU 2 -11.206 0.599 2.280
22 1HD2 LEU 2 HD21 LEU 2 -9.934 -0.260 5.416
23 2HD2 LEU 2 HD22 LEU 2 -8.565 0.844 5.549
24 3HD2 LEU 2 HD23 LEU 2 -8.460 -0.568 4.497
25 H GLY 3 HN GLY 3 -6.558 -0.334 3.253
26 1HA GLY 3 HA2 GLY 3 -3.900 0.218 2.181
27 2HA GLY 3 HA1 GLY 3 -4.427 -1.301 2.903
28 H LYS 4 HN LYS 4 -6.744 -0.533 0.682
29 HA LYS 4 HA LYS 4 -6.343 -2.648 -1.076
30 1HB LYS 4 HB2 LYS 4 -7.934 -0.302 -0.861
31 2HB LYS 4 HB1 LYS 4 -7.317 -0.348 -2.513
32 1HG LYS 4 HG2 LYS 4 -9.302 -1.624 -2.622
33 2HG LYS 4 HG1 LYS 4 -8.028 -2.838 -2.495
34 1HD LYS 4 HD2 LYS 4 -8.644 -3.460 -0.382
35 2HD LYS 4 HD1 LYS 4 -9.108 -1.820 0.075
36 1HE LYS 4 HE2 LYS 4 -10.796 -3.110 -2.011
37 2HE LYS 4 HE1 LYS 4 -10.940 -3.760 -0.366
38 1HZ LYS 4 HZ1 LYS 4 -12.389 -1.951 -0.369
39 2HZ LYS 4 HZ2 LYS 4 -11.342 -0.980 -1.290
40 3HZ LYS 4 HZ3 LYS 4 -10.982 -1.318 0.336
41 H ILE 5 HN ILE 5 -4.614 0.389 -0.949
42 HA ILE 5 HA ILE 5 -3.060 -0.434 -3.382
43 HB ILE 5 HB ILE 5 -3.656 2.359 -2.354
44 1HG1 ILE 5 HG12 ILE 5 -4.849 1.125 -4.829
45 2HG1 ILE 5 HG11 ILE 5 -5.610 0.869 -3.258
46 1HG2 ILE 5 HG21 ILE 5 -3.048 2.278 -5.123
47 2HG2 ILE 5 HG22 ILE 5 -1.831 1.294 -4.310
48 3HG2 ILE 5 HG23 ILE 5 -2.072 2.974 -3.829
49 1HD1 ILE 5 HD11 ILE 5 -5.982 3.079 -4.916
50 2HD1 ILE 5 HD12 ILE 5 -4.880 3.663 -3.668
51 3HD1 ILE 5 HD13 ILE 5 -6.437 2.968 -3.215
52 H TRP 6 HN TRP 6 -2.891 -0.254 -0.099
53 HA TRP 6 HA TRP 6 -0.232 1.004 0.132
54 1HB TRP 6 HB2 TRP 6 -2.258 1.021 1.777
55 2HB TRP 6 HB1 TRP 6 -1.687 -0.582 2.243
56 HD1 TRP 6 HD1 TRP 6 -0.119 -0.511 4.228
57 HE1 TRP 6 HE1 TRP 6 1.631 1.142 5.152
58 HE3 TRP 6 HE3 TRP 6 -0.461 3.186 0.723
59 HZ2 TRP 6 HZ2 TRP 6 2.739 3.695 4.491
60 HZ3 TRP 6 HZ3 TRP 6 0.951 5.215 0.893
61 HH2 TRP 6 HH2 TRP 6 2.550 5.474 2.771
62 H LYS 7 HN LYS 7 -1.618 -2.201 -0.164
63 HA LYS 7 HA LYS 7 0.374 -3.851 0.929
64 1HB LYS 7 HB2 LYS 7 -1.898 -4.072 -0.667
65 2HB LYS 7 HB1 LYS 7 -0.616 -4.734 -1.681
66 1HG LYS 7 HG2 LYS 7 -0.274 -5.682 1.014
67 2HG LYS 7 HG1 LYS 7 -1.927 -6.004 0.490
68 1HD LYS 7 HD2 LYS 7 -0.390 -7.860 -0.111
69 2HD LYS 7 HD1 LYS 7 -1.096 -7.103 -1.539
70 1HE LYS 7 HE2 LYS 7 0.953 -5.746 -1.841
71 2HE LYS 7 HE1 LYS 7 1.670 -6.525 -0.416
72 1HZ LYS 7 HZ1 LYS 7 1.625 -8.608 -1.437
73 2HZ LYS 7 HZ2 LYS 7 2.156 -7.572 -2.674
74 3HZ LYS 7 HZ3 LYS 7 0.544 -8.109 -2.645
75 HA PRO 8 HA PRO 8 2.986 -3.176 -2.863
76 1HB PRO 8 HB2 PRO 8 2.203 -1.466 -4.847
77 2HB PRO 8 HB1 PRO 8 1.643 -3.147 -4.746
78 1HG PRO 8 HG2 PRO 8 0.258 -0.640 -3.949
79 2HG PRO 8 HG1 PRO 8 -0.394 -2.096 -4.718
80 1HD PRO 8 HD2 PRO 8 -0.675 -1.538 -2.065
81 2HD PRO 8 HD1 PRO 8 -0.660 -3.186 -2.728
82 H ILE 9 HN ILE 9 1.432 0.053 -2.631
83 HA ILE 9 HA ILE 9 3.666 1.695 -2.924
84 HB ILE 9 HB ILE 9 1.200 1.852 -1.179
85 1HG1 ILE 9 HG12 ILE 9 1.046 1.868 -3.710
86 2HG1 ILE 9 HG11 ILE 9 0.384 3.303 -2.926
87 1HG2 ILE 9 HG21 ILE 9 1.728 4.320 -1.043
88 2HG2 ILE 9 HG22 ILE 9 3.338 3.946 -1.658
89 3HG2 ILE 9 HG23 ILE 9 2.813 3.293 -0.106
90 1HD1 ILE 9 HD11 ILE 9 1.819 3.877 -4.877
91 2HD1 ILE 9 HD12 ILE 9 3.183 3.096 -4.076
92 3HD1 ILE 9 HD13 ILE 9 2.451 4.536 -3.368
93 H LYS 10 HN LYS 10 2.410 0.504 0.223
94 HA LYS 10 HA LYS 10 4.683 1.414 1.736
95 1HB LYS 10 HB2 LYS 10 3.465 0.538 3.507
96 2HB LYS 10 HB1 LYS 10 2.190 0.640 2.297
97 1HG LYS 10 HG2 LYS 10 1.959 -1.547 3.124
98 2HG LYS 10 HG1 LYS 10 2.906 -1.776 1.655
99 1HD LYS 10 HD2 LYS 10 4.391 -2.867 2.968
100 2HD LYS 10 HD1 LYS 10 4.845 -1.272 3.568
101 1HE LYS 10 HE2 LYS 10 2.446 -2.157 4.918
102 2HE LYS 10 HE1 LYS 10 3.721 -3.382 5.077
103 1HZ LYS 10 HZ1 LYS 10 5.177 -1.886 6.014
104 2HZ LYS 10 HZ2 LYS 10 3.705 -1.352 6.674
105 3HZ LYS 10 HZ3 LYS 10 4.396 -0.532 5.356
106 H LYS 11 HN LYS 11 3.904 -1.609 0.103
107 HA LYS 11 HA LYS 11 5.674 -3.466 1.101
108 1HB LYS 11 HB2 LYS 11 4.179 -3.083 -1.199
109 2HB LYS 11 HB1 LYS 11 5.823 -3.220 -1.823
110 1HG LYS 11 HG2 LYS 11 4.724 -5.181 0.194
111 2HG LYS 11 HG1 LYS 11 4.506 -5.413 -1.541
112 1HD LYS 11 HD2 LYS 11 6.733 -5.848 -1.906
113 2HD LYS 11 HD1 LYS 11 7.262 -4.780 -0.605
114 1HE LYS 11 HE2 LYS 11 5.712 -7.192 0.219
115 2HE LYS 11 HE1 LYS 11 7.368 -7.462 -0.363
116 1HZ LYS 11 HZ1 LYS 11 6.448 -5.792 1.887
117 2HZ LYS 11 HZ2 LYS 11 7.906 -5.424 1.096
118 3HZ LYS 11 HZ3 LYS 11 7.703 -6.932 1.851
119 H LEU 12 HN LEU 12 6.601 -1.178 -1.510
120 HA LEU 12 HA LEU 12 9.439 -1.742 -1.172
121 1HB LEU 12 HB2 LEU 12 7.654 -0.009 -2.817
122 2HB LEU 12 HB1 LEU 12 9.343 0.481 -2.688
123 HG LEU 12 HG LEU 12 8.350 -2.243 -3.578
124 1HD1 LEU 12 HD11 LEU 12 8.823 -1.604 -5.758
125 2HD1 LEU 12 HD12 LEU 12 9.990 -0.380 -5.256
126 3HD1 LEU 12 HD13 LEU 12 8.261 -0.068 -5.097
127 1HD2 LEU 12 HD21 LEU 12 11.107 -1.748 -4.161
128 2HD2 LEU 12 HD22 LEU 12 10.423 -2.991 -3.113
129 3HD2 LEU 12 HD23 LEU 12 10.844 -1.412 -2.450
130 H PHE 13 HN PHE 13 7.202 0.323 0.417
131 HA PHE 13 HA PHE 13 9.434 2.038 1.455
132 1HB PHE 13 HB2 PHE 13 6.776 2.530 0.436
133 2HB PHE 13 HB1 PHE 13 6.891 3.109 2.098
134 HD1 PHE 13 HD1 PHE 13 9.258 4.314 2.625
135 HD2 PHE 13 HD2 PHE 13 7.394 4.026 -1.234
136 HE1 PHE 13 HE1 PHE 13 10.554 6.282 1.853
137 HE2 PHE 13 HE2 PHE 13 8.690 5.994 -2.007
138 HZ PHE 13 HZ PHE 13 10.270 7.122 -0.464
139 1HN NH2 14 HN1 NH2 14 6.201 1.545 2.883
140 2HN NH2 14 HN2 NH2 14 6.752 0.859 4.335
Start of MODEL 18
1 1H ILE 1 HT1 ILE 1 -11.552 -2.359 4.483
2 2H ILE 1 HT2 ILE 1 -11.009 -1.753 5.975
3 3H ILE 1 HT3 ILE 1 -10.023 -2.800 5.070
4 HA ILE 1 HA ILE 1 -10.865 -0.327 3.754
5 HB ILE 1 HB ILE 1 -9.021 -0.574 6.142
6 1HG1 ILE 1 HG12 ILE 1 -11.335 -0.037 6.668
7 2HG1 ILE 1 HG11 ILE 1 -10.363 1.422 6.872
8 1HG2 ILE 1 HG21 ILE 1 -8.805 2.032 5.363
9 2HG2 ILE 1 HG22 ILE 1 -8.882 1.226 3.796
10 3HG2 ILE 1 HG23 ILE 1 -7.626 0.785 4.954
11 1HD1 ILE 1 HD11 ILE 1 -11.967 2.369 5.555
12 2HD1 ILE 1 HD12 ILE 1 -12.466 0.819 4.877
13 3HD1 ILE 1 HD13 ILE 1 -11.039 1.640 4.244
14 H LEU 2 HN LEU 2 -9.644 -0.210 1.894
15 HA LEU 2 HA LEU 2 -7.405 -2.162 1.581
16 1HB LEU 2 HB2 LEU 2 -9.389 -0.775 -0.190
17 2HB LEU 2 HB1 LEU 2 -7.866 -1.315 -0.896
18 HG LEU 2 HG LEU 2 -8.845 -3.424 0.755
19 1HD1 LEU 2 HD11 LEU 2 -11.008 -3.883 -0.276
20 2HD1 LEU 2 HD12 LEU 2 -10.879 -2.426 -1.261
21 3HD1 LEU 2 HD13 LEU 2 -11.058 -2.295 0.489
22 1HD2 LEU 2 HD21 LEU 2 -8.340 -4.668 -1.111
23 2HD2 LEU 2 HD22 LEU 2 -7.528 -3.178 -1.589
24 3HD2 LEU 2 HD23 LEU 2 -9.140 -3.540 -2.206
25 H GLY 3 HN GLY 3 -5.458 -1.383 0.420
26 1HA GLY 3 HA2 GLY 3 -4.941 1.515 0.953
27 2HA GLY 3 HA1 GLY 3 -3.699 0.268 1.043
28 H LYS 4 HN LYS 4 -6.027 1.641 -1.271
29 HA LYS 4 HA LYS 4 -5.081 0.669 -3.685
30 1HB LYS 4 HB2 LYS 4 -6.849 2.551 -2.864
31 2HB LYS 4 HB1 LYS 4 -5.597 3.592 -3.543
32 1HG LYS 4 HG2 LYS 4 -6.233 1.259 -5.218
33 2HG LYS 4 HG1 LYS 4 -7.583 2.374 -5.007
34 1HD LYS 4 HD2 LYS 4 -4.797 3.229 -5.840
35 2HD LYS 4 HD1 LYS 4 -6.119 2.935 -6.971
36 1HE LYS 4 HE2 LYS 4 -7.389 4.764 -6.142
37 2HE LYS 4 HE1 LYS 4 -6.415 4.871 -4.661
38 1HZ LYS 4 HZ1 LYS 4 -4.580 5.660 -5.825
39 2HZ LYS 4 HZ2 LYS 4 -5.872 6.484 -6.558
40 3HZ LYS 4 HZ3 LYS 4 -5.172 5.141 -7.327
41 H ILE 5 HN ILE 5 -3.600 3.188 -1.683
42 HA ILE 5 HA ILE 5 -1.226 3.131 -3.518
43 HB ILE 5 HB ILE 5 -2.364 5.483 -1.973
44 1HG1 ILE 5 HG12 ILE 5 -2.387 5.591 -4.904
45 2HG1 ILE 5 HG11 ILE 5 -3.417 4.314 -4.257
46 1HG2 ILE 5 HG21 ILE 5 -0.091 5.156 -3.940
47 2HG2 ILE 5 HG22 ILE 5 -0.027 5.819 -2.307
48 3HG2 ILE 5 HG23 ILE 5 -0.819 6.725 -3.596
49 1HD1 ILE 5 HD11 ILE 5 -4.186 6.927 -4.491
50 2HD1 ILE 5 HD12 ILE 5 -3.606 6.890 -2.826
51 3HD1 ILE 5 HD13 ILE 5 -4.886 5.790 -3.339
52 H TRP 6 HN TRP 6 -1.892 1.712 -0.887
53 HA TRP 6 HA TRP 6 0.612 2.503 0.511
54 1HB TRP 6 HB2 TRP 6 -2.163 2.904 1.370
55 2HB TRP 6 HB1 TRP 6 -1.187 2.052 2.565
56 HD1 TRP 6 HD1 TRP 6 -2.230 5.271 2.392
57 HE1 TRP 6 HE1 TRP 6 -0.445 7.046 2.945
58 HE3 TRP 6 HE3 TRP 6 2.006 2.490 1.755
59 HZ2 TRP 6 HZ2 TRP 6 2.404 7.259 3.097
60 HZ3 TRP 6 HZ3 TRP 6 4.239 3.503 2.110
61 HH2 TRP 6 HH2 TRP 6 4.444 5.881 2.780
62 H LYS 7 HN LYS 7 -2.053 0.186 0.163
63 HA LYS 7 HA LYS 7 -1.071 -1.897 1.814
64 1HB LYS 7 HB2 LYS 7 -3.269 -2.057 0.967
65 2HB LYS 7 HB1 LYS 7 -2.751 -1.746 -0.687
66 1HG LYS 7 HG2 LYS 7 -1.409 -4.088 0.357
67 2HG LYS 7 HG1 LYS 7 -3.157 -4.261 0.516
68 1HD LYS 7 HD2 LYS 7 -2.841 -3.151 -2.015
69 2HD LYS 7 HD1 LYS 7 -1.506 -4.297 -1.894
70 1HE LYS 7 HE2 LYS 7 -4.345 -5.052 -1.142
71 2HE LYS 7 HE1 LYS 7 -3.698 -5.276 -2.779
72 1HZ LYS 7 HZ1 LYS 7 -2.264 -6.862 -2.102
73 2HZ LYS 7 HZ2 LYS 7 -3.378 -7.069 -0.837
74 3HZ LYS 7 HZ3 LYS 7 -1.980 -6.133 -0.598
75 HA PRO 8 HA PRO 8 1.542 -3.330 -1.803
76 1HB PRO 8 HB2 PRO 8 1.788 -1.797 -4.056
77 2HB PRO 8 HB1 PRO 8 0.472 -2.967 -3.827
78 1HG PRO 8 HG2 PRO 8 0.460 -0.011 -3.461
79 2HG PRO 8 HG1 PRO 8 -0.772 -1.066 -4.175
80 1HD PRO 8 HD2 PRO 8 -0.961 -0.090 -1.657
81 2HD PRO 8 HD1 PRO 8 -1.637 -1.661 -2.140
82 H ILE 9 HN ILE 9 1.689 0.251 -1.948
83 HA ILE 9 HA ILE 9 4.465 0.583 -2.234
84 HB ILE 9 HB ILE 9 2.258 2.109 -0.853
85 1HG1 ILE 9 HG12 ILE 9 3.570 3.560 -2.907
86 2HG1 ILE 9 HG11 ILE 9 3.375 1.911 -3.504
87 1HG2 ILE 9 HG21 ILE 9 5.111 3.079 -1.203
88 2HG2 ILE 9 HG22 ILE 9 4.427 2.553 0.336
89 3HG2 ILE 9 HG23 ILE 9 3.772 3.973 -0.481
90 1HD1 ILE 9 HD11 ILE 9 0.937 2.242 -2.432
91 2HD1 ILE 9 HD12 ILE 9 1.305 2.728 -4.087
92 3HD1 ILE 9 HD13 ILE 9 1.299 3.929 -2.795
93 H LYS 10 HN LYS 10 2.672 -0.616 0.487
94 HA LYS 10 HA LYS 10 4.536 -0.008 2.591
95 1HB LYS 10 HB2 LYS 10 2.162 -0.706 2.859
96 2HB LYS 10 HB1 LYS 10 2.582 -2.308 2.252
97 1HG LYS 10 HG2 LYS 10 4.067 -1.138 4.594
98 2HG LYS 10 HG1 LYS 10 2.509 -1.930 4.834
99 1HD LYS 10 HD2 LYS 10 3.913 -3.665 3.151
100 2HD LYS 10 HD1 LYS 10 5.116 -3.120 4.320
101 1HE LYS 10 HE2 LYS 10 2.393 -3.969 5.290
102 2HE LYS 10 HE1 LYS 10 3.629 -5.192 4.934
103 1HZ LYS 10 HZ1 LYS 10 4.289 -4.676 7.025
104 2HZ LYS 10 HZ2 LYS 10 3.608 -3.121 6.987
105 3HZ LYS 10 HZ3 LYS 10 5.098 -3.417 6.228
106 H LYS 11 HN LYS 11 4.347 -2.580 0.187
107 HA LYS 11 HA LYS 11 6.438 -4.208 1.451
108 1HB LYS 11 HB2 LYS 11 4.939 -4.236 -1.182
109 2HB LYS 11 HB1 LYS 11 6.167 -5.437 -0.778
110 1HG LYS 11 HG2 LYS 11 4.910 -6.283 1.038
111 2HG LYS 11 HG1 LYS 11 3.868 -4.861 1.089
112 1HD LYS 11 HD2 LYS 11 3.152 -5.542 -1.302
113 2HD LYS 11 HD1 LYS 11 3.876 -7.106 -0.926
114 1HE LYS 11 HE2 LYS 11 2.260 -7.628 0.651
115 2HE LYS 11 HE1 LYS 11 1.976 -5.927 1.072
116 1HZ LYS 11 HZ1 LYS 11 0.955 -7.473 -1.201
117 2HZ LYS 11 HZ2 LYS 11 1.278 -5.822 -1.440
118 3HZ LYS 11 HZ3 LYS 11 0.168 -6.310 -0.250
119 H LEU 12 HN LEU 12 6.207 -1.784 -1.113
120 HA LEU 12 HA LEU 12 8.739 -2.189 -2.359
121 1HB LEU 12 HB2 LEU 12 6.671 -0.079 -2.097
122 2HB LEU 12 HB1 LEU 12 8.273 0.491 -2.568
123 HG LEU 12 HG LEU 12 7.170 -1.924 -3.948
124 1HD1 LEU 12 HD11 LEU 12 5.940 0.732 -3.964
125 2HD1 LEU 12 HD12 LEU 12 5.330 -0.789 -4.616
126 3HD1 LEU 12 HD13 LEU 12 6.430 0.203 -5.573
127 1HD2 LEU 12 HD21 LEU 12 9.286 0.065 -4.280
128 2HD2 LEU 12 HD22 LEU 12 8.332 -0.141 -5.749
129 3HD2 LEU 12 HD23 LEU 12 9.129 -1.531 -5.012
130 H PHE 13 HN PHE 13 7.856 -0.690 0.683
131 HA PHE 13 HA PHE 13 10.164 0.931 1.125
132 1HB PHE 13 HB2 PHE 13 7.812 0.350 2.394
133 2HB PHE 13 HB1 PHE 13 8.967 -0.493 3.428
134 HD1 PHE 13 HD1 PHE 13 9.402 0.810 5.316
135 HD2 PHE 13 HD2 PHE 13 9.190 2.695 1.462
136 HE1 PHE 13 HE1 PHE 13 10.070 2.969 6.336
137 HE2 PHE 13 HE2 PHE 13 9.858 4.854 2.482
138 HZ PHE 13 HZ PHE 13 10.298 4.992 4.919
139 1HN NH2 14 HN1 NH2 14 12.023 0.371 2.629
140 2HN NH2 14 HN2 NH2 14 12.618 -1.219 2.654
Start of MODEL 19
1 1H ILE 1 HT1 ILE 1 -9.332 -1.738 -4.332
2 2H ILE 1 HT2 ILE 1 -10.376 -3.059 -4.108
3 3H ILE 1 HT3 ILE 1 -8.976 -3.230 -5.055
4 HA ILE 1 HA ILE 1 -8.960 -4.126 -2.637
5 HB ILE 1 HB ILE 1 -6.513 -3.389 -2.621
6 1HG1 ILE 1 HG12 ILE 1 -5.846 -2.208 -4.781
7 2HG1 ILE 1 HG11 ILE 1 -7.555 -1.824 -4.997
8 1HG2 ILE 1 HG21 ILE 1 -6.052 -4.979 -4.201
9 2HG2 ILE 1 HG22 ILE 1 -7.098 -4.229 -5.407
10 3HG2 ILE 1 HG23 ILE 1 -7.796 -5.234 -4.137
11 1HD1 ILE 1 HD11 ILE 1 -7.523 -0.234 -3.377
12 2HD1 ILE 1 HD12 ILE 1 -5.774 -0.272 -3.594
13 3HD1 ILE 1 HD13 ILE 1 -6.523 -1.216 -2.306
14 H LEU 2 HN LEU 2 -7.792 -3.234 -0.588
15 HA LEU 2 HA LEU 2 -9.020 -0.590 0.100
16 1HB LEU 2 HB2 LEU 2 -8.120 -2.935 1.809
17 2HB LEU 2 HB1 LEU 2 -8.928 -1.486 2.409
18 HG LEU 2 HG LEU 2 -10.140 -3.244 0.269
19 1HD1 LEU 2 HD11 LEU 2 -9.631 -4.195 2.751
20 2HD1 LEU 2 HD12 LEU 2 -11.071 -4.637 1.833
21 3HD1 LEU 2 HD13 LEU 2 -11.160 -3.370 3.057
22 1HD2 LEU 2 HD21 LEU 2 -12.232 -2.131 1.170
23 2HD2 LEU 2 HD22 LEU 2 -11.101 -1.034 0.378
24 3HD2 LEU 2 HD23 LEU 2 -11.181 -1.097 2.139
25 H GLY 3 HN GLY 3 -7.572 0.125 2.288
26 1HA GLY 3 HA2 GLY 3 -5.600 1.293 2.822
27 2HA GLY 3 HA1 GLY 3 -4.795 -0.197 2.334
28 H LYS 4 HN LYS 4 -6.121 2.831 1.047
29 HA LYS 4 HA LYS 4 -4.919 2.534 -1.578
30 1HB LYS 4 HB2 LYS 4 -6.262 4.681 0.041
31 2HB LYS 4 HB1 LYS 4 -5.462 5.115 -1.470
32 1HG LYS 4 HG2 LYS 4 -6.907 3.813 -2.766
33 2HG LYS 4 HG1 LYS 4 -7.360 2.786 -1.405
34 1HD LYS 4 HD2 LYS 4 -9.222 4.265 -1.906
35 2HD LYS 4 HD1 LYS 4 -8.510 4.759 -0.370
36 1HE LYS 4 HE2 LYS 4 -7.218 6.080 -2.640
37 2HE LYS 4 HE1 LYS 4 -8.954 6.440 -2.544
38 1HZ LYS 4 HZ1 LYS 4 -8.645 6.843 -0.142
39 2HZ LYS 4 HZ2 LYS 4 -7.779 7.942 -1.106
40 3HZ LYS 4 HZ3 LYS 4 -6.971 6.658 -0.341
41 H ILE 5 HN ILE 5 -3.494 3.018 1.395
42 HA ILE 5 HA ILE 5 -1.082 4.220 0.128
43 HB ILE 5 HB ILE 5 -2.528 5.224 2.601
44 1HG1 ILE 5 HG12 ILE 5 -1.942 6.508 -0.087
45 2HG1 ILE 5 HG11 ILE 5 -3.522 5.952 0.465
46 1HG2 ILE 5 HG21 ILE 5 0.234 5.619 1.565
47 2HG2 ILE 5 HG22 ILE 5 -0.364 5.675 3.223
48 3HG2 ILE 5 HG23 ILE 5 -0.604 7.056 2.151
49 1HD1 ILE 5 HD11 ILE 5 -3.442 7.553 2.336
50 2HD1 ILE 5 HD12 ILE 5 -3.273 8.389 0.792
51 3HD1 ILE 5 HD13 ILE 5 -1.854 8.105 1.801
52 H TRP 6 HN TRP 6 -2.083 1.579 1.433
53 HA TRP 6 HA TRP 6 0.233 1.289 3.317
54 1HB TRP 6 HB2 TRP 6 -1.964 1.430 4.460
55 2HB TRP 6 HB1 TRP 6 -2.546 0.078 3.489
56 HD1 TRP 6 HD1 TRP 6 -2.552 -2.026 4.895
57 HE1 TRP 6 HE1 TRP 6 -0.971 -3.107 6.621
58 HE3 TRP 6 HE3 TRP 6 1.060 1.576 5.161
59 HZ2 TRP 6 HZ2 TRP 6 1.497 -2.522 7.940
60 HZ3 TRP 6 HZ3 TRP 6 3.013 1.288 6.660
61 HH2 TRP 6 HH2 TRP 6 3.236 -0.754 8.048
62 H LYS 7 HN LYS 7 -1.746 -0.108 0.770
63 HA LYS 7 HA LYS 7 -0.446 -2.728 0.858
64 1HB LYS 7 HB2 LYS 7 -2.808 -1.754 -0.057
65 2HB LYS 7 HB1 LYS 7 -1.885 -1.783 -1.561
66 1HG LYS 7 HG2 LYS 7 -1.546 -4.102 -1.460
67 2HG LYS 7 HG1 LYS 7 -1.868 -4.169 0.272
68 1HD LYS 7 HD2 LYS 7 -4.254 -3.350 -0.374
69 2HD LYS 7 HD1 LYS 7 -3.828 -3.893 -1.997
70 1HE LYS 7 HE2 LYS 7 -4.863 -5.791 -0.983
71 2HE LYS 7 HE1 LYS 7 -3.124 -6.117 -0.842
72 1HZ LYS 7 HZ1 LYS 7 -3.459 -4.660 1.318
73 2HZ LYS 7 HZ2 LYS 7 -3.698 -6.342 1.332
74 3HZ LYS 7 HZ3 LYS 7 -5.029 -5.293 1.218
75 HA PRO 8 HA PRO 8 2.037 -0.909 -2.606
76 1HB PRO 8 HB2 PRO 8 1.805 1.721 -3.314
77 2HB PRO 8 HB1 PRO 8 0.707 0.459 -3.910
78 1HG PRO 8 HG2 PRO 8 0.297 2.461 -1.756
79 2HG PRO 8 HG1 PRO 8 -0.849 1.835 -2.951
80 1HD PRO 8 HD2 PRO 8 -0.766 1.019 -0.344
81 2HD PRO 8 HD1 PRO 8 -1.384 0.022 -1.677
82 H ILE 9 HN ILE 9 1.691 1.306 0.114
83 HA ILE 9 HA ILE 9 4.116 2.726 0.016
84 HB ILE 9 HB ILE 9 2.327 1.647 2.183
85 1HG1 ILE 9 HG12 ILE 9 1.557 3.586 0.938
86 2HG1 ILE 9 HG11 ILE 9 2.021 4.111 2.557
87 1HG2 ILE 9 HG21 ILE 9 5.047 2.887 2.513
88 2HG2 ILE 9 HG22 ILE 9 4.303 1.577 3.431
89 3HG2 ILE 9 HG23 ILE 9 3.782 3.242 3.690
90 1HD1 ILE 9 HD11 ILE 9 3.327 4.667 -0.061
91 2HD1 ILE 9 HD12 ILE 9 4.390 4.429 1.327
92 3HD1 ILE 9 HD13 ILE 9 3.168 5.701 1.360
93 H LYS 10 HN LYS 10 3.676 -0.165 2.092
94 HA LYS 10 HA LYS 10 6.476 -0.657 2.405
95 1HB LYS 10 HB2 LYS 10 4.521 -1.452 3.811
96 2HB LYS 10 HB1 LYS 10 4.188 -2.641 2.552
97 1HG LYS 10 HG2 LYS 10 6.951 -2.436 3.718
98 2HG LYS 10 HG1 LYS 10 5.697 -3.327 4.582
99 1HD LYS 10 HD2 LYS 10 5.630 -4.045 1.794
100 2HD LYS 10 HD1 LYS 10 7.271 -4.243 2.412
101 1HE LYS 10 HE2 LYS 10 6.610 -6.180 3.383
102 2HE LYS 10 HE1 LYS 10 5.517 -5.241 4.420
103 1HZ LYS 10 HZ1 LYS 10 4.962 -6.535 1.835
104 2HZ LYS 10 HZ2 LYS 10 4.081 -5.152 2.280
105 3HZ LYS 10 HZ3 LYS 10 4.036 -6.542 3.256
106 H LYS 11 HN LYS 11 4.231 -1.508 -0.138
107 HA LYS 11 HA LYS 11 5.727 -3.720 -1.254
108 1HB LYS 11 HB2 LYS 11 3.254 -2.626 -1.560
109 2HB LYS 11 HB1 LYS 11 4.054 -1.998 -3.000
110 1HG LYS 11 HG2 LYS 11 4.284 -4.073 -3.946
111 2HG LYS 11 HG1 LYS 11 4.506 -4.872 -2.389
112 1HD LYS 11 HD2 LYS 11 2.240 -5.122 -2.034
113 2HD LYS 11 HD1 LYS 11 1.830 -3.676 -2.958
114 1HE LYS 11 HE2 LYS 11 1.881 -4.799 -4.996
115 2HE LYS 11 HE1 LYS 11 3.034 -6.015 -4.411
116 1HZ LYS 11 HZ1 LYS 11 1.419 -7.157 -3.291
117 2HZ LYS 11 HZ2 LYS 11 0.497 -6.581 -4.597
118 3HZ LYS 11 HZ3 LYS 11 0.423 -5.799 -3.091
119 H LEU 12 HN LEU 12 5.351 -0.337 -2.406
120 HA LEU 12 HA LEU 12 7.534 -0.577 -4.309
121 1HB LEU 12 HB2 LEU 12 5.690 1.530 -3.246
122 2HB LEU 12 HB1 LEU 12 7.116 2.050 -4.145
123 HG LEU 12 HG LEU 12 5.759 -0.177 -5.453
124 1HD1 LEU 12 HD11 LEU 12 3.620 0.534 -5.513
125 2HD1 LEU 12 HD12 LEU 12 4.122 2.176 -5.918
126 3HD1 LEU 12 HD13 LEU 12 4.034 1.671 -4.230
127 1HD2 LEU 12 HD21 LEU 12 5.981 1.310 -7.387
128 2HD2 LEU 12 HD22 LEU 12 7.479 1.326 -6.456
129 3HD2 LEU 12 HD23 LEU 12 6.346 2.671 -6.326
130 H PHE 13 HN PHE 13 7.284 0.357 -0.942
131 HA PHE 13 HA PHE 13 10.027 1.521 -0.974
132 1HB PHE 13 HB2 PHE 13 7.722 2.293 0.223
133 2HB PHE 13 HB1 PHE 13 8.407 1.300 1.511
134 HD1 PHE 13 HD1 PHE 13 10.044 3.472 -1.066
135 HD2 PHE 13 HD2 PHE 13 9.327 2.749 3.107
136 HE1 PHE 13 HE1 PHE 13 11.607 5.306 -0.480
137 HE2 PHE 13 HE2 PHE 13 10.890 4.583 3.693
138 HZ PHE 13 HZ PHE 13 12.030 5.862 1.900
139 1HN NH2 14 HN1 NH2 14 11.562 -0.182 -0.857
140 2HN NH2 14 HN2 NH2 14 11.508 -1.440 0.281
Start of MODEL 20
1 1H ILE 1 HT1 ILE 1 7.025 4.779 3.200
2 2H ILE 1 HT2 ILE 1 8.159 5.791 3.957
3 3H ILE 1 HT3 ILE 1 8.395 4.108 3.941
4 HA ILE 1 HA ILE 1 8.637 6.015 1.683
5 HB ILE 1 HB ILE 1 10.363 3.959 3.093
6 1HG1 ILE 1 HG12 ILE 1 11.290 6.730 2.682
7 2HG1 ILE 1 HG11 ILE 1 9.863 6.590 3.708
8 1HG2 ILE 1 HG21 ILE 1 12.036 5.266 1.377
9 2HG2 ILE 1 HG22 ILE 1 10.568 5.173 0.403
10 3HG2 ILE 1 HG23 ILE 1 11.304 3.699 1.031
11 1HD1 ILE 1 HD11 ILE 1 12.638 5.743 4.227
12 2HD1 ILE 1 HD12 ILE 1 11.420 4.542 4.658
13 3HD1 ILE 1 HD13 ILE 1 11.356 6.157 5.365
14 H LEU 2 HN LEU 2 9.181 2.520 2.246
15 HA LEU 2 HA LEU 2 8.378 1.904 -0.508
16 1HB LEU 2 HB2 LEU 2 8.960 -0.415 0.294
17 2HB LEU 2 HB1 LEU 2 10.248 0.762 0.543
18 HG LEU 2 HG LEU 2 8.412 0.717 2.797
19 1HD1 LEU 2 HD11 LEU 2 9.806 -1.864 2.027
20 2HD1 LEU 2 HD12 LEU 2 8.069 -1.621 2.211
21 3HD1 LEU 2 HD13 LEU 2 9.126 -1.538 3.621
22 1HD2 LEU 2 HD21 LEU 2 10.462 1.651 3.304
23 2HD2 LEU 2 HD22 LEU 2 11.339 0.567 2.224
24 3HD2 LEU 2 HD23 LEU 2 10.793 -0.010 3.799
25 H GLY 3 HN GLY 3 7.107 -0.581 -0.086
26 1HA GLY 3 HA2 GLY 3 5.018 -0.914 1.637
27 2HA GLY 3 HA1 GLY 3 4.390 0.326 0.552
28 H LYS 4 HN LYS 4 5.800 -2.931 0.568
29 HA LYS 4 HA LYS 4 5.033 -3.503 -2.185
30 1HB LYS 4 HB2 LYS 4 6.533 -4.658 -0.003
31 2HB LYS 4 HB1 LYS 4 5.461 -5.876 -0.696
32 1HG LYS 4 HG2 LYS 4 6.319 -5.305 -2.961
33 2HG LYS 4 HG1 LYS 4 7.442 -4.162 -2.224
34 1HD LYS 4 HD2 LYS 4 8.897 -5.836 -1.864
35 2HD LYS 4 HD1 LYS 4 7.708 -6.636 -0.835
36 1HE LYS 4 HE2 LYS 4 7.747 -6.882 -3.864
37 2HE LYS 4 HE1 LYS 4 8.457 -8.076 -2.759
38 1HZ LYS 4 HZ1 LYS 4 6.153 -8.632 -3.295
39 2HZ LYS 4 HZ2 LYS 4 5.639 -7.129 -2.692
40 3HZ LYS 4 HZ3 LYS 4 6.327 -8.277 -1.646
41 H ILE 5 HN ILE 5 3.322 -3.405 0.771
42 HA ILE 5 HA ILE 5 1.039 -4.851 -0.496
43 HB ILE 5 HB ILE 5 2.319 -6.425 0.922
44 1HG1 ILE 5 HG12 ILE 5 -0.137 -5.729 2.510
45 2HG1 ILE 5 HG11 ILE 5 -0.308 -6.248 0.833
46 1HG2 ILE 5 HG21 ILE 5 3.409 -5.066 2.510
47 2HG2 ILE 5 HG22 ILE 5 2.173 -5.891 3.460
48 3HG2 ILE 5 HG23 ILE 5 1.921 -4.224 2.944
49 1HD1 ILE 5 HD11 ILE 5 1.548 -7.928 2.352
50 2HD1 ILE 5 HD12 ILE 5 0.180 -8.398 1.342
51 3HD1 ILE 5 HD13 ILE 5 -0.083 -7.935 3.024
52 H TRP 6 HN TRP 6 1.791 -1.978 0.258
53 HA TRP 6 HA TRP 6 -0.716 -1.392 1.778
54 1HB TRP 6 HB2 TRP 6 1.370 -1.393 3.212
55 2HB TRP 6 HB1 TRP 6 1.972 -0.063 2.222
56 HD1 TRP 6 HD1 TRP 6 1.547 2.180 3.313
57 HE1 TRP 6 HE1 TRP 6 -0.306 3.210 4.780
58 HE3 TRP 6 HE3 TRP 6 -1.594 -1.827 3.712
59 HZ2 TRP 6 HZ2 TRP 6 -2.791 2.438 5.966
60 HZ3 TRP 6 HZ3 TRP 6 -3.695 -1.653 5.015
61 HH2 TRP 6 HH2 TRP 6 -4.297 0.473 6.141
62 H LYS 7 HN LYS 7 1.860 -0.219 -0.358
63 HA LYS 7 HA LYS 7 0.985 2.355 -0.992
64 1HB LYS 7 HB2 LYS 7 2.524 0.182 -2.216
65 2HB LYS 7 HB1 LYS 7 1.771 1.234 -3.415
66 1HG LYS 7 HG2 LYS 7 2.691 3.149 -1.827
67 2HG LYS 7 HG1 LYS 7 3.829 1.892 -1.341
68 1HD LYS 7 HD2 LYS 7 5.035 2.440 -3.169
69 2HD LYS 7 HD1 LYS 7 3.753 1.694 -4.123
70 1HE LYS 7 HE2 LYS 7 3.873 3.866 -5.041
71 2HE LYS 7 HE1 LYS 7 2.570 4.036 -3.848
72 1HZ LYS 7 HZ1 LYS 7 5.447 4.649 -3.423
73 2HZ LYS 7 HZ2 LYS 7 4.263 4.684 -2.204
74 3HZ LYS 7 HZ3 LYS 7 4.181 5.775 -3.504
75 HA PRO 8 HA PRO 8 -2.218 0.636 -3.934
76 1HB PRO 8 HB2 PRO 8 -2.485 -2.056 -4.340
77 2HB PRO 8 HB1 PRO 8 -1.305 -1.060 -5.215
78 1HG PRO 8 HG2 PRO 8 -0.902 -2.858 -2.881
79 2HG PRO 8 HG1 PRO 8 0.137 -2.583 -4.288
80 1HD PRO 8 HD2 PRO 8 0.596 -1.473 -1.844
81 2HD PRO 8 HD1 PRO 8 1.110 -0.729 -3.373
82 H ILE 9 HN ILE 9 -1.937 -1.860 -1.377
83 HA ILE 9 HA ILE 9 -4.645 -2.439 -0.948
84 HB ILE 9 HB ILE 9 -2.218 -2.210 0.833
85 1HG1 ILE 9 HG12 ILE 9 -2.816 -4.766 0.905
86 2HG1 ILE 9 HG11 ILE 9 -3.787 -4.393 -0.519
87 1HG2 ILE 9 HG21 ILE 9 -3.468 -3.232 2.653
88 2HG2 ILE 9 HG22 ILE 9 -4.928 -3.287 1.666
89 3HG2 ILE 9 HG23 ILE 9 -4.275 -1.734 2.188
90 1HD1 ILE 9 HD11 ILE 9 -1.957 -4.045 -1.836
91 2HD1 ILE 9 HD12 ILE 9 -1.142 -5.033 -0.624
92 3HD1 ILE 9 HD13 ILE 9 -1.047 -3.274 -0.536
93 H LYS 10 HN LYS 10 -2.739 0.275 0.388
94 HA LYS 10 HA LYS 10 -4.767 1.408 2.038
95 1HB LYS 10 HB2 LYS 10 -2.410 2.034 2.130
96 2HB LYS 10 HB1 LYS 10 -2.470 2.626 0.470
97 1HG LYS 10 HG2 LYS 10 -4.315 3.753 2.569
98 2HG LYS 10 HG1 LYS 10 -2.669 4.362 2.395
99 1HD LYS 10 HD2 LYS 10 -3.747 4.199 -0.221
100 2HD LYS 10 HD1 LYS 10 -4.983 4.955 0.786
101 1HE LYS 10 HE2 LYS 10 -3.810 6.890 0.758
102 2HE LYS 10 HE1 LYS 10 -2.428 6.063 1.503
103 1HZ LYS 10 HZ1 LYS 10 -1.852 5.186 -0.703
104 2HZ LYS 10 HZ2 LYS 10 -1.796 6.884 -0.663
105 3HZ LYS 10 HZ3 LYS 10 -3.111 6.091 -1.391
106 H LYS 11 HN LYS 11 -4.438 1.296 -1.407
107 HA LYS 11 HA LYS 11 -6.176 3.623 -1.910
108 1HB LYS 11 HB2 LYS 11 -4.221 2.126 -3.271
109 2HB LYS 11 HB1 LYS 11 -5.727 1.802 -4.131
110 1HG LYS 11 HG2 LYS 11 -5.632 4.594 -3.490
111 2HG LYS 11 HG1 LYS 11 -4.111 4.144 -4.262
112 1HD LYS 11 HD2 LYS 11 -6.512 2.974 -5.519
113 2HD LYS 11 HD1 LYS 11 -6.410 4.732 -5.627
114 1HE LYS 11 HE2 LYS 11 -4.918 4.494 -7.315
115 2HE LYS 11 HE1 LYS 11 -3.803 3.711 -6.176
116 1HZ LYS 11 HZ1 LYS 11 -5.761 2.492 -7.992
117 2HZ LYS 11 HZ2 LYS 11 -5.446 1.720 -6.512
118 3HZ LYS 11 HZ3 LYS 11 -4.184 1.991 -7.617
119 H LEU 12 HN LEU 12 -6.461 0.141 -1.601
120 HA LEU 12 HA LEU 12 -9.060 -0.078 -2.900
121 1HB LEU 12 HB2 LEU 12 -7.227 -1.773 -1.232
122 2HB LEU 12 HB1 LEU 12 -8.885 -2.316 -1.492
123 HG LEU 12 HG LEU 12 -8.083 -1.510 -4.021
124 1HD1 LEU 12 HD11 LEU 12 -5.740 -1.383 -3.023
125 2HD1 LEU 12 HD12 LEU 12 -5.911 -2.432 -4.431
126 3HD1 LEU 12 HD13 LEU 12 -5.831 -3.132 -2.814
127 1HD2 LEU 12 HD21 LEU 12 -7.721 -4.332 -3.015
128 2HD2 LEU 12 HD22 LEU 12 -8.351 -3.792 -4.571
129 3HD2 LEU 12 HD23 LEU 12 -9.324 -3.604 -3.112
130 H PHE 13 HN PHE 13 -7.939 0.779 0.290
131 HA PHE 13 HA PHE 13 -10.183 0.085 1.885
132 1HB PHE 13 HB2 PHE 13 -7.989 2.121 1.912
133 2HB PHE 13 HB1 PHE 13 -9.302 2.310 3.074
134 HD1 PHE 13 HD1 PHE 13 -7.845 -0.833 1.680
135 HD2 PHE 13 HD2 PHE 13 -8.349 1.665 5.138
136 HE1 PHE 13 HE1 PHE 13 -6.846 -2.601 3.102
137 HE2 PHE 13 HE2 PHE 13 -7.350 -0.104 6.561
138 HZ PHE 13 HZ PHE 13 -6.598 -2.237 5.543
139 1HN NH2 14 HN1 NH2 14 -11.531 2.160 2.901
140 2HN NH2 14 HN2 NH2 14 -12.328 3.086 1.723