Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
594389 | 2mu9 RC | 25203 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 16.699 -2.478 1.081
2 HA LYS 1 HA LYS 1 14.557 -1.618 2.804
3 HB2 LYS 1 1HB LYS 1 14.269 0.710 1.678
4 HB3 LYS 1 2HB LYS 1 15.305 0.518 3.069
5 HG2 LYS 1 2HG LYS 1 16.389 2.064 1.693
6 HG3 LYS 1 1HG LYS 1 17.363 0.607 1.651
7 HD2 LYS 1 1HD LYS 1 16.531 0.057 -0.629
8 HD3 LYS 1 2HD LYS 1 15.392 1.413 -0.583
9 HE2 LYS 1 2HE LYS 1 17.353 3.032 -0.428
10 HE3 LYS 1 1HE LYS 1 18.480 1.668 -0.471
11 HZ2 LYS 1 1HZ LYS 1 18.205 2.616 -2.638
12 HZ3 LYS 1 2HZ LYS 1 17.636 1.083 -2.649
13 H MET 2 H MET 2 13.762 -3.404 1.776
14 HA MET 2 HA MET 2 12.749 -3.040 -0.943
15 HB2 MET 2 2HB MET 2 13.924 -4.804 -2.097
16 HB3 MET 2 1HB MET 2 15.133 -3.796 -1.344
17 HG2 MET 2 2HG MET 2 15.412 -5.520 0.512
18 HG3 MET 2 1HG MET 2 14.295 -6.591 -0.359
19 HE1 MET 2 1HE MET 2 17.327 -7.399 0.383
20 HE2 MET 2 2HE MET 2 16.198 -8.481 -0.493
21 HE3 MET 2 3HE MET 2 17.837 -8.181 -1.143
22 H ASN 3 H ASN 3 11.155 -2.983 0.760
23 HA ASN 3 HA ASN 3 9.458 -5.334 0.584
24 HB2 ASN 3 2HB ASN 3 8.898 -5.688 2.968
25 HB3 ASN 3 1HB ASN 3 10.549 -6.118 2.633
26 HD21 ASN 3 1HD2 ASN 3 12.241 -4.841 3.595
27 HD22 ASN 3 2HD2 ASN 3 11.874 -3.708 4.991
28 H MET 4 H MET 4 9.583 -2.183 2.403
29 HA MET 4 HA MET 4 6.881 -1.565 1.655
30 HB2 MET 4 1HB MET 4 8.963 0.564 2.392
31 HB3 MET 4 2HB MET 4 7.225 0.611 2.628
32 HG2 MET 4 2HG MET 4 7.571 -1.403 4.312
33 HG3 MET 4 1HG MET 4 9.285 -1.032 4.187
34 HE1 MET 4 1HE MET 4 7.629 -0.897 6.959
35 HE2 MET 4 2HE MET 4 8.287 0.611 7.662
36 HE3 MET 4 3HE MET 4 9.380 -0.538 6.835
37 H LEU 5 H LEU 5 8.175 -2.253 -0.769
38 HA LEU 5 HA LEU 5 8.693 0.172 -2.391
39 HB2 LEU 5 1HB LEU 5 9.841 -0.949 -4.002
40 HB3 LEU 5 2HB LEU 5 10.459 -1.313 -2.430
41 HG LEU 5 HG LEU 5 8.803 -3.450 -2.648
42 HD11 LEU 5 1HD1 LEU 5 8.768 -4.387 -4.943
43 HD12 LEU 5 2HD1 LEU 5 9.646 -2.967 -5.589
44 HD13 LEU 5 3HD1 LEU 5 7.984 -2.796 -4.999
45 HD21 LEU 5 1HD2 LEU 5 10.831 -4.727 -3.402
46 HD22 LEU 5 2HD2 LEU 5 11.604 -3.167 -3.871
47 HD23 LEU 5 3HD2 LEU 5 11.179 -3.488 -2.173
48 H LYS 6 H LYS 6 7.035 -2.925 -2.700
49 HA LYS 6 HA LYS 6 4.759 -1.803 -4.182
50 HB2 LYS 6 1HB LYS 6 5.861 -4.060 -4.692
51 HB3 LYS 6 2HB LYS 6 5.258 -4.705 -3.187
52 HG2 LYS 6 1HG LYS 6 3.374 -3.563 -5.366
53 HG3 LYS 6 2HG LYS 6 4.038 -5.184 -5.475
54 HD2 LYS 6 2HD LYS 6 2.993 -5.822 -3.281
55 HD3 LYS 6 1HD LYS 6 2.282 -4.216 -3.134
56 HE2 LYS 6 1HE LYS 6 0.981 -4.573 -5.279
57 HE3 LYS 6 2HE LYS 6 1.685 -6.189 -5.437
58 HZ2 LYS 6 1HZ LYS 6 0.667 -6.801 -3.344
59 HZ3 LYS 6 2HZ LYS 6 -0.461 -6.293 -4.413
60 H GLU 7 H GLU 7 5.349 -3.045 -0.903
61 HA GLU 7 HA GLU 7 2.558 -2.858 -0.002
62 HB2 GLU 7 2HB GLU 7 5.102 -2.706 1.752
63 HB3 GLU 7 1HB GLU 7 3.468 -2.844 2.377
64 HG2 GLU 7 1HG GLU 7 3.188 -5.084 1.263
65 HG3 GLU 7 2HG GLU 7 4.816 -4.980 0.599
66 HE2 GLU 7 HE2 GLU 7 6.466 -5.755 3.528
67 H ASN 8 H ASN 8 5.141 -0.326 0.029
68 HA ASN 8 HA ASN 8 3.408 1.600 1.382
69 HB2 ASN 8 1HB ASN 8 5.913 1.985 0.964
70 HB3 ASN 8 2HB ASN 8 5.540 2.249 -0.769
71 HD21 ASN 8 2HD2 ASN 8 5.336 4.403 -1.251
72 HD22 ASN 8 1HD2 ASN 8 4.972 5.740 -0.048
73 H VAL 9 H VAL 9 3.954 1.058 -2.132
74 HA VAL 9 HA VAL 9 1.968 2.870 -3.074
75 HB VAL 9 HB VAL 9 4.124 1.296 -4.037
76 HG11 VAL 9 1HG1 VAL 9 1.674 0.461 -5.730
77 HG12 VAL 9 2HG1 VAL 9 2.591 -0.636 -4.675
78 HG13 VAL 9 3HG1 VAL 9 3.390 0.119 -6.066
79 HG21 VAL 9 1HG2 VAL 9 3.924 2.589 -6.066
80 HG22 VAL 9 2HG2 VAL 9 3.639 3.586 -4.625
81 HG23 VAL 9 3HG2 VAL 9 2.253 3.086 -5.636
82 H ASP 10 H ASP 10 1.182 0.192 -1.265
83 HA ASP 10 HA ASP 10 -1.289 -0.608 -2.617
84 HB2 ASP 10 2HB ASP 10 0.549 -2.474 -2.028
85 HB3 ASP 10 1HB ASP 10 0.031 -2.138 -0.393
86 HD2 ASP 10 HD2 ASP 10 -2.936 -3.844 -0.569
87 H TYR 11 H TYR 11 0.472 0.520 0.244
88 HA TYR 11 HA TYR 11 -1.713 0.793 2.140
89 HB2 TYR 11 2HB TYR 11 0.897 0.753 2.592
90 HB3 TYR 11 1HB TYR 11 0.817 2.420 2.191
91 HD1 TYR 11 HD1 TYR 11 -0.663 -0.135 4.509
92 HD2 TYR 11 HD2 TYR 11 -0.107 4.059 3.794
93 HE1 TYR 11 HE1 TYR 11 -1.398 0.355 6.814
94 HE2 TYR 11 HE2 TYR 11 -0.839 4.549 6.100
95 HH TYR 11 HH TYR 11 -1.800 1.933 8.326
96 H ILE 12 H ILE 12 -0.441 3.065 -0.247
97 HA ILE 12 HA ILE 12 -1.926 5.413 0.741
98 HB ILE 12 HB ILE 12 -0.033 5.036 -1.521
99 HG12 ILE 12 2HG1 ILE 12 0.964 7.216 -0.584
100 HG13 ILE 12 1HG1 ILE 12 -0.223 7.163 0.704
101 HG21 ILE 12 1HG2 ILE 12 -1.839 6.264 -2.685
102 HG22 ILE 12 2HG2 ILE 12 -0.456 7.333 -2.441
103 HG23 ILE 12 3HG2 ILE 12 -1.890 7.486 -1.391
104 HD11 ILE 12 1HD1 ILE 12 2.021 6.349 1.429
105 HD12 ILE 12 2HD1 ILE 12 0.852 5.022 1.568
106 HD13 ILE 12 3HD1 ILE 12 1.999 5.071 0.198
107 H GLN 13 H GLN 13 -2.111 3.262 -2.107
108 HA GLN 13 HA GLN 13 -4.723 3.964 -2.959
109 HB2 GLN 13 1HB GLN 13 -3.482 1.240 -3.277
110 HB3 GLN 13 2HB GLN 13 -4.875 1.849 -4.096
111 HG2 GLN 13 1HG GLN 13 -3.537 3.687 -5.186
112 HG3 GLN 13 2HG GLN 13 -2.081 3.067 -4.433
113 HE21 GLN 13 2HE2 GLN 13 -4.262 2.673 -7.067
114 HE22 GLN 13 1HE2 GLN 13 -3.420 1.226 -7.820
115 H LYS 14 H LYS 14 -3.768 1.711 -0.330
116 HA LYS 14 HA LYS 14 -6.453 0.650 0.097
117 HB2 LYS 14 1HB LYS 14 -4.386 -0.503 0.865
118 HB3 LYS 14 2HB LYS 14 -4.130 0.749 2.095
119 HG2 LYS 14 1HG LYS 14 -6.305 0.015 3.198
120 HG3 LYS 14 2HG LYS 14 -6.558 -1.144 1.898
121 HD2 LYS 14 1HD LYS 14 -5.718 -2.376 3.769
122 HD3 LYS 14 2HD LYS 14 -4.442 -2.366 2.559
123 HE2 LYS 14 1HE LYS 14 -3.245 -0.515 3.854
124 HE3 LYS 14 2HE LYS 14 -4.551 -0.508 5.046
125 HZ2 LYS 14 1HZ LYS 14 -4.030 -2.837 5.524
126 HZ3 LYS 14 2HZ LYS 14 -2.825 -2.840 4.419
127 H ASN 15 H ASN 15 -4.883 3.553 1.403
128 HA ASN 15 HA ASN 15 -6.720 4.205 3.508
129 HB2 ASN 15 1HB ASN 15 -4.385 5.271 2.926
130 HB3 ASN 15 2HB ASN 15 -5.348 6.268 1.808
131 HD21 ASN 15 1HD2 ASN 15 -4.560 8.072 3.001
132 HD22 ASN 15 2HD2 ASN 15 -5.298 8.528 4.619
133 H GLN 16 H GLN 16 -6.590 5.460 0.242
134 HA GLN 16 HA GLN 16 -9.106 6.898 0.355
135 HB2 GLN 16 1HB GLN 16 -8.357 7.878 -1.628
136 HB3 GLN 16 2HB GLN 16 -6.930 7.610 -0.673
137 HG2 GLN 16 2HG GLN 16 -6.449 5.487 -2.089
138 HG3 GLN 16 1HG GLN 16 -7.793 5.936 -3.123
139 HE21 GLN 16 2HE2 GLN 16 -4.487 6.570 -2.382
140 HE22 GLN 16 1HE2 GLN 16 -4.244 7.872 -3.653
141 H ASN 17 H ASN 17 -8.213 3.895 -1.302
142 HA ASN 17 HA ASN 17 -10.892 3.632 -2.537
143 HB2 ASN 17 1HB ASN 17 -8.701 3.027 -3.742
144 HB3 ASN 17 2HB ASN 17 -8.597 1.614 -2.721
145 HD21 ASN 17 1HD2 ASN 17 -10.269 3.089 -5.409
146 HD22 ASN 17 2HD2 ASN 17 -11.184 1.580 -5.911
147 H LEU 18 H LEU 18 -9.528 2.409 0.448
148 HA LEU 18 HA LEU 18 -9.799 0.534 1.807
149 HB2 LEU 18 1HB LEU 18 -12.506 1.818 1.342
150 HB3 LEU 18 2HB LEU 18 -12.066 0.901 2.759
151 HG LEU 18 HG LEU 18 -10.195 3.219 1.982
152 HD11 LEU 18 1HD1 LEU 18 -11.527 4.894 3.076
153 HD12 LEU 18 2HD1 LEU 18 -12.884 3.732 3.290
154 HD13 LEU 18 3HD1 LEU 18 -12.350 4.225 1.653
155 HD21 LEU 18 1HD2 LEU 18 -9.838 3.432 4.371
156 HD22 LEU 18 2HD2 LEU 18 -11.067 2.175 4.719
157 HD23 LEU 18 3HD2 LEU 18 -9.558 1.757 3.859
158 H PHE 19 H PHE 19 -9.346 -0.957 -0.364
159 HA PHE 19 HA PHE 19 -11.465 -2.814 -0.940
160 HB2 PHE 19 2HB PHE 19 -9.575 -3.994 -2.167
161 HB3 PHE 19 1HB PHE 19 -10.049 -2.386 -2.659
162 HD1 PHE 19 HD1 PHE 19 -7.353 -4.107 -0.543
163 HD2 PHE 19 HD2 PHE 19 -8.377 -0.735 -3.015
164 HE1 PHE 19 HE1 PHE 19 -5.007 -3.395 -0.560
165 HE2 PHE 19 HE2 PHE 19 -6.023 -0.054 -3.038
166 HZ PHE 19 HZ PHE 19 -4.330 -1.376 -1.815
167 H LYS 20 H LYS 20 -11.490 -2.993 1.806
168 HA LYS 20 HA LYS 20 -9.968 -5.232 2.804
169 HB2 LYS 20 2HB LYS 20 -10.771 -3.340 4.154
170 HB3 LYS 20 1HB LYS 20 -12.412 -3.968 3.974
171 HG2 LYS 20 1HG LYS 20 -11.704 -6.099 5.156
172 HG3 LYS 20 2HG LYS 20 -10.074 -5.470 5.328
173 HD2 LYS 20 2HD LYS 20 -12.619 -4.205 6.538
174 HD3 LYS 20 1HD LYS 20 -11.559 -5.295 7.399
175 HE2 LYS 20 2HE LYS 20 -10.713 -2.506 6.350
176 HE3 LYS 20 1HE LYS 20 -11.227 -2.867 7.993
177 HZ2 LYS 20 1HZ LYS 20 -8.860 -2.839 7.850
178 HZ3 LYS 20 2HZ LYS 20 -9.354 -4.345 8.250
Start of MODEL 2
1 H1 LYS 1 H LYS 1 17.645 -1.355 -0.934
2 HA LYS 1 HA LYS 1 15.497 -1.626 -2.839
3 HB2 LYS 1 1HB LYS 1 14.682 -3.918 -1.935
4 HB3 LYS 1 2HB LYS 1 15.828 -3.855 -3.240
5 HG2 LYS 1 1HG LYS 1 16.509 -5.681 -1.934
6 HG3 LYS 1 2HG LYS 1 17.721 -4.444 -1.730
7 HD2 LYS 1 1HD LYS 1 17.419 -5.533 0.376
8 HD3 LYS 1 2HD LYS 1 16.819 -3.898 0.554
9 HE2 LYS 1 2HE LYS 1 14.412 -4.816 0.258
10 HE3 LYS 1 1HE LYS 1 15.086 -6.444 0.134
11 HZ2 LYS 1 1HZ LYS 1 14.370 -5.978 2.357
12 HZ3 LYS 1 2HZ LYS 1 15.990 -6.197 2.354
13 H MET 2 H MET 2 15.121 0.235 -1.696
14 HA MET 2 HA MET 2 13.777 -0.086 0.900
15 HB2 MET 2 2HB MET 2 15.208 1.273 2.272
16 HB3 MET 2 1HB MET 2 16.231 0.108 1.489
17 HG2 MET 2 1HG MET 2 17.584 1.944 1.287
18 HG3 MET 2 2HG MET 2 16.746 2.093 -0.264
19 HE1 MET 2 1HE MET 2 18.294 4.533 1.062
20 HE2 MET 2 2HE MET 2 17.105 5.858 0.889
21 HE3 MET 2 3HE MET 2 17.340 4.692 -0.447
22 H ASN 3 H ASN 3 12.396 0.219 -0.985
23 HA ASN 3 HA ASN 3 11.232 2.907 -0.839
24 HB2 ASN 3 1HB ASN 3 11.883 1.724 -3.636
25 HB3 ASN 3 2HB ASN 3 10.751 3.031 -3.372
26 HD21 ASN 3 2HD2 ASN 3 14.031 2.325 -3.904
27 HD22 ASN 3 1HD2 ASN 3 14.659 4.031 -3.653
28 H MET 4 H MET 4 10.678 -0.141 -2.770
29 HA MET 4 HA MET 4 7.917 -0.150 -1.998
30 HB2 MET 4 1HB MET 4 9.400 -2.684 -2.910
31 HB3 MET 4 2HB MET 4 7.704 -2.289 -3.120
32 HG2 MET 4 2HG MET 4 8.526 -0.319 -4.679
33 HG3 MET 4 1HG MET 4 10.098 -1.104 -4.611
34 HE1 MET 4 1HE MET 4 8.699 -2.223 -8.161
35 HE2 MET 4 2HE MET 4 10.042 -1.422 -7.293
36 HE3 MET 4 3HE MET 4 8.425 -0.652 -7.351
37 H LEU 5 H LEU 5 9.701 -0.179 0.332
38 HA LEU 5 HA LEU 5 9.028 -2.637 1.879
39 HB2 LEU 5 1HB LEU 5 10.738 -0.182 2.543
40 HB3 LEU 5 2HB LEU 5 10.426 -1.485 3.680
41 HG LEU 5 HG LEU 5 11.962 -1.668 1.025
42 HD11 LEU 5 1HD2 LEU 5 12.809 -1.921 3.971
43 HD12 LEU 5 2HD2 LEU 5 13.889 -2.005 2.540
44 HD13 LEU 5 3HD2 LEU 5 13.040 -0.488 2.938
45 HD21 LEU 5 1HD1 LEU 5 12.576 -4.025 1.686
46 HD22 LEU 5 2HD1 LEU 5 11.379 -3.968 3.010
47 HD23 LEU 5 3HD1 LEU 5 10.854 -3.871 1.309
48 H LYS 6 H LYS 6 8.943 0.760 2.894
49 HA LYS 6 HA LYS 6 6.337 0.480 4.142
50 HB2 LYS 6 1HB LYS 6 8.196 2.070 4.912
51 HB3 LYS 6 2HB LYS 6 7.847 3.108 3.534
52 HG2 LYS 6 1HG LYS 6 5.496 3.472 4.432
53 HG3 LYS 6 2HG LYS 6 5.846 2.389 5.782
54 HD2 LYS 6 2HD LYS 6 7.703 3.940 6.541
55 HD3 LYS 6 1HD LYS 6 7.356 5.018 5.184
56 HE2 LYS 6 2HE LYS 6 5.004 5.393 6.083
57 HE3 LYS 6 1HE LYS 6 5.353 4.314 7.443
58 HZ2 LYS 6 1HZ LYS 6 5.674 6.592 8.057
59 HZ3 LYS 6 2HZ LYS 6 7.107 5.810 8.135
60 H GLU 7 H GLU 7 7.285 1.663 0.942
61 HA GLU 7 HA GLU 7 4.609 2.756 0.283
62 HB2 GLU 7 2HB GLU 7 6.803 1.890 -1.710
63 HB3 GLU 7 1HB GLU 7 5.330 2.711 -2.160
64 HG2 GLU 7 2HG GLU 7 7.522 3.930 -0.360
65 HG3 GLU 7 1HG GLU 7 7.324 4.220 -2.076
66 HE2 GLU 7 HE2 GLU 7 6.191 4.809 0.996
67 H ASN 8 H ASN 8 6.024 -0.542 -0.267
68 HA ASN 8 HA ASN 8 3.602 -1.450 -1.618
69 HB2 ASN 8 1HB ASN 8 5.742 -2.846 -1.463
70 HB3 ASN 8 2HB ASN 8 5.366 -3.161 0.264
71 HD21 ASN 8 2HD2 ASN 8 4.244 -5.059 0.568
72 HD22 ASN 8 1HD2 ASN 8 3.369 -5.997 -0.744
73 H VAL 9 H VAL 9 4.436 -1.586 1.880
74 HA VAL 9 HA VAL 9 1.917 -2.560 2.786
75 HB VAL 9 HB VAL 9 4.557 -2.150 3.716
76 HG11 VAL 9 1HG1 VAL 9 4.486 -0.998 5.877
77 HG12 VAL 9 2HG1 VAL 9 4.006 0.169 4.631
78 HG13 VAL 9 3HG1 VAL 9 2.770 -0.562 5.677
79 HG21 VAL 9 1HG2 VAL 9 3.164 -4.069 4.143
80 HG22 VAL 9 2HG2 VAL 9 3.900 -3.452 5.636
81 HG23 VAL 9 3HG2 VAL 9 2.161 -3.149 5.302
82 H ASP 10 H ASP 10 2.144 0.338 1.263
83 HA ASP 10 HA ASP 10 0.211 1.877 2.849
84 HB2 ASP 10 2HB ASP 10 2.613 2.943 2.334
85 HB3 ASP 10 1HB ASP 10 1.976 3.027 0.707
86 HD2 ASP 10 HD2 ASP 10 0.617 5.480 3.611
87 H TYR 11 H TYR 11 1.357 0.564 -0.236
88 HA TYR 11 HA TYR 11 -0.828 1.341 -1.986
89 HB2 TYR 11 2HB TYR 11 1.635 0.485 -2.586
90 HB3 TYR 11 1HB TYR 11 0.919 -1.066 -2.436
91 HD1 TYR 11 HD1 TYR 11 0.539 2.194 -4.242
92 HD2 TYR 11 HD2 TYR 11 -0.627 -1.931 -4.169
93 HE1 TYR 11 HE1 TYR 11 -0.350 2.406 -6.538
94 HE2 TYR 11 HE2 TYR 11 -1.515 -1.722 -6.464
95 HH TYR 11 HH TYR 11 -1.859 -0.370 -8.193
96 H ILE 12 H ILE 12 -0.371 -1.574 -0.040
97 HA ILE 12 HA ILE 12 -2.646 -3.048 -1.201
98 HB ILE 12 HB ILE 12 -0.634 -3.754 0.871
99 HG12 ILE 12 2HG1 ILE 12 -0.499 -5.929 -0.444
100 HG13 ILE 12 1HG1 ILE 12 -1.718 -5.325 -1.551
101 HG21 ILE 12 1HG2 ILE 12 -3.256 -5.344 0.619
102 HG22 ILE 12 2HG2 ILE 12 -2.698 -4.449 2.054
103 HG23 ILE 12 3HG2 ILE 12 -1.808 -5.876 1.514
104 HD11 ILE 12 1HD1 ILE 12 1.087 -4.089 -1.137
105 HD12 ILE 12 2HD1 ILE 12 0.613 -5.171 -2.463
106 HD13 ILE 12 3HD1 ILE 12 -0.105 -3.553 -2.354
107 H GLN 13 H GLN 13 -1.919 -1.509 1.940
108 HA GLN 13 HA GLN 13 -4.568 -1.401 2.940
109 HB2 GLN 13 2HB GLN 13 -2.433 0.638 3.507
110 HB3 GLN 13 1HB GLN 13 -3.882 0.400 4.405
111 HG2 GLN 13 1HG GLN 13 -1.653 -1.706 4.204
112 HG3 GLN 13 2HG GLN 13 -1.877 -0.585 5.527
113 HE21 GLN 13 1HE2 GLN 13 -2.882 -3.607 4.235
114 HE22 GLN 13 2HE2 GLN 13 -4.105 -3.993 5.548
115 H LYS 14 H LYS 14 -3.034 0.765 0.535
116 HA LYS 14 HA LYS 14 -5.168 2.755 0.557
117 HB2 LYS 14 2HB LYS 14 -2.940 3.299 -0.302
118 HB3 LYS 14 1HB LYS 14 -3.113 2.135 -1.627
119 HG2 LYS 14 1HG LYS 14 -4.998 3.560 -2.567
120 HG3 LYS 14 2HG LYS 14 -4.834 4.654 -1.198
121 HD2 LYS 14 2HD LYS 14 -3.721 5.689 -3.045
122 HD3 LYS 14 1HD LYS 14 -2.465 5.204 -1.914
123 HE2 LYS 14 1HE LYS 14 -1.953 3.167 -3.371
124 HE3 LYS 14 2HE LYS 14 -3.248 3.638 -4.481
125 HZ2 LYS 14 1HZ LYS 14 -0.860 5.284 -3.845
126 HZ3 LYS 14 2HZ LYS 14 -2.054 5.724 -4.871
127 H ASN 15 H ASN 15 -4.619 -0.084 -1.544
128 HA ASN 15 HA ASN 15 -6.821 0.175 -3.361
129 HB2 ASN 15 2HB ASN 15 -4.775 -1.390 -3.469
130 HB3 ASN 15 1HB ASN 15 -5.684 -2.420 -2.382
131 HD21 ASN 15 1HD2 ASN 15 -5.575 -4.044 -3.978
132 HD22 ASN 15 2HD2 ASN 15 -6.651 -4.014 -5.466
133 H GLN 16 H GLN 16 -6.606 -1.718 -0.383
134 HA GLN 16 HA GLN 16 -9.195 -2.872 -0.222
135 HB2 GLN 16 1HB GLN 16 -7.146 -3.707 0.788
136 HB3 GLN 16 2HB GLN 16 -6.818 -2.191 1.612
137 HG2 GLN 16 2HG GLN 16 -7.397 -3.695 3.205
138 HG3 GLN 16 1HG GLN 16 -8.671 -2.478 3.118
139 HE21 GLN 16 2HE2 GLN 16 -10.788 -3.252 2.837
140 HE22 GLN 16 1HE2 GLN 16 -11.211 -5.012 2.532
141 H ASN 17 H ASN 17 -8.012 0.188 1.152
142 HA ASN 17 HA ASN 17 -10.394 0.784 2.701
143 HB2 ASN 17 1HB ASN 17 -8.136 1.691 3.276
144 HB3 ASN 17 2HB ASN 17 -8.144 2.690 1.844
145 HD21 ASN 17 1HD2 ASN 17 -9.631 2.197 5.013
146 HD22 ASN 17 2HD2 ASN 17 -10.280 3.907 5.158
147 H LEU 18 H LEU 18 -9.470 1.955 -0.591
148 HA LEU 18 HA LEU 18 -11.643 3.580 -1.102
149 HB2 LEU 18 2HB LEU 18 -10.195 1.727 -3.060
150 HB3 LEU 18 1HB LEU 18 -11.134 3.123 -3.546
151 HG LEU 18 HG LEU 18 -8.779 3.403 -1.605
152 HD11 LEU 18 1HD1 LEU 18 -7.922 2.317 -3.653
153 HD12 LEU 18 2HD1 LEU 18 -8.629 3.609 -4.664
154 HD13 LEU 18 3HD1 LEU 18 -7.314 3.976 -3.502
155 HD21 LEU 18 1HD2 LEU 18 -8.710 5.740 -2.288
156 HD22 LEU 18 2HD2 LEU 18 -10.162 5.495 -3.320
157 HD23 LEU 18 3HD2 LEU 18 -10.256 5.299 -1.544
158 H PHE 19 H PHE 19 -11.873 0.047 -1.239
159 HA PHE 19 HA PHE 19 -14.294 -0.179 -2.755
160 HB2 PHE 19 1HB PHE 19 -13.342 -2.218 -0.804
161 HB3 PHE 19 2HB PHE 19 -14.366 -2.414 -2.199
162 HD1 PHE 19 HD2 PHE 19 -12.943 -1.163 -4.473
163 HD2 PHE 19 HD1 PHE 19 -11.373 -3.469 -1.192
164 HE1 PHE 19 HE2 PHE 19 -11.067 -1.906 -5.876
165 HE2 PHE 19 HE1 PHE 19 -9.512 -4.207 -2.617
166 HZ PHE 19 HZ PHE 19 -9.359 -3.438 -4.960
167 H LYS 20 H LYS 20 -15.527 1.733 -1.352
168 HA LYS 20 HA LYS 20 -16.692 0.936 1.144
169 HB2 LYS 20 2HB LYS 20 -16.193 3.247 0.497
170 HB3 LYS 20 1HB LYS 20 -17.462 3.139 -0.721
171 HG2 LYS 20 2HG LYS 20 -18.314 4.385 1.148
172 HG3 LYS 20 1HG LYS 20 -19.201 2.872 1.077
173 HD2 LYS 20 2HD LYS 20 -17.762 1.936 2.933
174 HD3 LYS 20 1HD LYS 20 -16.830 3.423 3.000
175 HE2 LYS 20 1HE LYS 20 -19.874 3.226 3.565
176 HE3 LYS 20 2HE LYS 20 -18.622 3.157 4.802
177 HZ2 LYS 20 1HZ LYS 20 -17.905 5.379 4.147
178 HZ3 LYS 20 2HZ LYS 20 -19.061 5.464 2.994
Start of MODEL 3
1 H1 LYS 1 H LYS 1 17.287 -2.855 -1.543
2 HA LYS 1 HA LYS 1 14.986 -2.651 -3.260
3 HB2 LYS 1 2HB LYS 1 13.712 -4.616 -2.375
4 HB3 LYS 1 1HB LYS 1 14.892 -5.000 -3.598
5 HG2 LYS 1 1HG LYS 1 15.607 -5.403 -0.631
6 HG3 LYS 1 2HG LYS 1 14.542 -6.534 -1.446
7 HD2 LYS 1 2HD LYS 1 16.304 -6.974 -3.192
8 HD3 LYS 1 1HD LYS 1 17.416 -5.889 -2.380
9 HE2 LYS 1 1HE LYS 1 16.216 -8.437 -1.093
10 HE3 LYS 1 2HE LYS 1 17.776 -8.364 -1.907
11 HZ2 LYS 1 2HZ LYS 1 18.049 -8.149 0.441
12 HZ3 LYS 1 1HZ LYS 1 18.544 -6.772 -0.286
13 H MET 2 H MET 2 14.871 -0.771 -2.124
14 HA MET 2 HA MET 2 13.924 -0.866 0.628
15 HB2 MET 2 2HB MET 2 15.724 0.241 1.801
16 HB3 MET 2 1HB MET 2 16.418 -1.118 0.955
17 HG2 MET 2 1HG MET 2 17.303 0.455 -0.844
18 HG3 MET 2 2HG MET 2 16.726 1.830 0.121
19 HE1 MET 2 1HE MET 2 20.618 1.875 0.816
20 HE2 MET 2 2HE MET 2 19.808 1.447 -0.720
21 HE3 MET 2 3HE MET 2 19.206 2.821 0.259
22 H ASN 3 H ASN 3 12.357 -0.162 -0.976
23 HA ASN 3 HA ASN 3 11.780 2.667 -0.596
24 HB2 ASN 3 2HB ASN 3 13.160 2.714 -2.807
25 HB3 ASN 3 1HB ASN 3 11.978 1.652 -3.536
26 HD21 ASN 3 1HD2 ASN 3 12.460 4.904 -2.197
27 HD22 ASN 3 2HD2 ASN 3 11.079 5.667 -3.135
28 H MET 4 H MET 4 10.645 -0.302 -2.359
29 HA MET 4 HA MET 4 7.875 0.373 -1.665
30 HB2 MET 4 2HB MET 4 7.154 -1.683 -2.739
31 HB3 MET 4 1HB MET 4 8.034 -0.571 -3.773
32 HG2 MET 4 1HG MET 4 10.055 -1.841 -3.621
33 HG3 MET 4 2HG MET 4 9.413 -2.864 -2.330
34 HE1 MET 4 1HE MET 4 9.575 -5.413 -5.411
35 HE2 MET 4 2HE MET 4 10.065 -5.112 -3.717
36 HE3 MET 4 3HE MET 4 10.738 -4.106 -5.039
37 H LEU 5 H LEU 5 9.408 0.237 0.688
38 HA LEU 5 HA LEU 5 8.987 -2.360 2.055
39 HB2 LEU 5 2HB LEU 5 10.530 -1.947 3.677
40 HB3 LEU 5 1HB LEU 5 11.192 -1.697 2.102
41 HG LEU 5 HG LEU 5 10.508 0.887 2.615
42 HD11 LEU 5 1HD2 LEU 5 10.941 1.513 4.973
43 HD12 LEU 5 2HD2 LEU 5 11.223 -0.197 5.425
44 HD13 LEU 5 3HD2 LEU 5 9.602 0.348 4.961
45 HD21 LEU 5 1HD1 LEU 5 12.680 0.078 1.944
46 HD22 LEU 5 2HD1 LEU 5 13.029 -0.581 3.561
47 HD23 LEU 5 3HD1 LEU 5 12.903 1.200 3.307
48 H LYS 6 H LYS 6 8.687 1.080 2.750
49 HA LYS 6 HA LYS 6 6.240 0.784 4.342
50 HB2 LYS 6 2HB LYS 6 8.219 2.431 4.814
51 HB3 LYS 6 1HB LYS 6 7.701 3.368 3.427
52 HG2 LYS 6 2HG LYS 6 5.452 3.766 4.568
53 HG3 LYS 6 1HG LYS 6 5.978 2.785 5.937
54 HD2 LYS 6 1HD LYS 6 7.888 4.395 6.351
55 HD3 LYS 6 2HD LYS 6 7.362 5.396 5.007
56 HE2 LYS 6 1HE LYS 6 5.659 4.796 7.531
57 HE3 LYS 6 2HE LYS 6 6.674 6.221 7.322
58 HZ2 LYS 6 1HZ LYS 6 4.349 5.516 5.625
59 HZ3 LYS 6 2HZ LYS 6 4.380 6.666 6.787
60 H GLU 7 H GLU 7 7.068 1.956 1.099
61 HA GLU 7 HA GLU 7 4.358 2.950 0.447
62 HB2 GLU 7 2HB GLU 7 6.666 2.139 -1.451
63 HB3 GLU 7 1HB GLU 7 5.143 2.808 -2.015
64 HG2 GLU 7 2HG GLU 7 5.529 4.940 -0.775
65 HG3 GLU 7 1HG GLU 7 7.010 4.305 -0.068
66 HE2 GLU 7 HE2 GLU 7 5.460 4.831 -3.082
67 H ASN 8 H ASN 8 5.821 -0.325 -0.010
68 HA ASN 8 HA ASN 8 3.426 -1.324 -1.343
69 HB2 ASN 8 2HB ASN 8 5.616 -2.659 -1.151
70 HB3 ASN 8 1HB ASN 8 5.233 -2.945 0.572
71 HD21 ASN 8 2HD2 ASN 8 4.231 -3.612 -2.794
72 HD22 ASN 8 1HD2 ASN 8 3.336 -5.162 -2.391
73 H VAL 9 H VAL 9 4.293 -1.340 2.153
74 HA VAL 9 HA VAL 9 1.792 -2.328 3.103
75 HB VAL 9 HB VAL 9 4.443 -1.872 4.000
76 HG11 VAL 9 1HG2 VAL 9 2.643 -0.306 5.967
77 HG12 VAL 9 2HG2 VAL 9 3.861 0.441 4.911
78 HG13 VAL 9 3HG2 VAL 9 4.366 -0.714 6.158
79 HG21 VAL 9 1HG1 VAL 9 2.076 -2.899 5.612
80 HG22 VAL 9 2HG1 VAL 9 3.082 -3.812 4.450
81 HG23 VAL 9 3HG1 VAL 9 3.821 -3.175 5.933
82 H ASP 10 H ASP 10 1.900 0.506 1.476
83 HA ASP 10 HA ASP 10 0.003 2.062 3.065
84 HB2 ASP 10 1HB ASP 10 2.401 3.128 2.519
85 HB3 ASP 10 2HB ASP 10 1.722 3.240 0.909
86 HD2 ASP 10 HD2 ASP 10 0.102 4.514 0.521
87 H TYR 11 H TYR 11 1.146 0.660 0.023
88 HA TYR 11 HA TYR 11 -1.019 1.406 -1.763
89 HB2 TYR 11 2HB TYR 11 1.425 0.539 -2.343
90 HB3 TYR 11 1HB TYR 11 0.728 -1.015 -2.117
91 HD1 TYR 11 HD2 TYR 11 0.327 2.150 -4.084
92 HD2 TYR 11 HD1 TYR 11 -0.793 -1.983 -3.816
93 HE1 TYR 11 HE2 TYR 11 -0.569 2.243 -6.383
94 HE2 TYR 11 HE1 TYR 11 -1.687 -1.890 -6.114
95 HH TYR 11 HH TYR 11 -1.579 1.125 -8.016
96 H ILE 12 H ILE 12 -0.665 -1.414 0.343
97 HA ILE 12 HA ILE 12 -2.880 -2.942 -0.855
98 HB ILE 12 HB ILE 12 -1.036 -3.505 1.408
99 HG12 ILE 12 2HG1 ILE 12 -0.854 -5.791 0.231
100 HG13 ILE 12 1HG1 ILE 12 -1.925 -5.192 -1.021
101 HG21 ILE 12 1HG2 ILE 12 -3.638 -5.106 1.054
102 HG22 ILE 12 2HG2 ILE 12 -2.264 -5.592 2.082
103 HG23 ILE 12 3HG2 ILE 12 -3.174 -4.131 2.470
104 HD11 ILE 12 1HD1 ILE 12 0.885 -4.089 -0.354
105 HD12 ILE 12 2HD1 ILE 12 0.473 -5.160 -1.707
106 HD13 ILE 12 3HD1 ILE 12 -0.145 -3.497 -1.690
107 H GLN 13 H GLN 13 -2.367 -1.149 2.199
108 HA GLN 13 HA GLN 13 -5.137 -1.096 2.945
109 HB2 GLN 13 2HB GLN 13 -4.581 0.639 4.530
110 HB3 GLN 13 1HB GLN 13 -3.490 -0.699 4.665
111 HG2 GLN 13 2HG GLN 13 -1.755 0.642 3.372
112 HG3 GLN 13 1HG GLN 13 -2.872 1.993 3.266
113 HE21 GLN 13 2HE2 GLN 13 -2.227 3.536 4.674
114 HE22 GLN 13 1HE2 GLN 13 -1.564 3.237 6.358
115 H LYS 14 H LYS 14 -3.302 0.992 0.675
116 HA LYS 14 HA LYS 14 -5.399 3.013 0.450
117 HB2 LYS 14 1HB LYS 14 -3.072 3.484 -0.200
118 HB3 LYS 14 2HB LYS 14 -3.175 2.323 -1.536
119 HG2 LYS 14 1HG LYS 14 -4.938 3.804 -2.618
120 HG3 LYS 14 2HG LYS 14 -4.849 4.893 -1.240
121 HD2 LYS 14 1HD LYS 14 -3.574 5.886 -3.007
122 HD3 LYS 14 2HD LYS 14 -2.426 5.388 -1.771
123 HE2 LYS 14 1HE LYS 14 -1.828 3.335 -3.155
124 HE3 LYS 14 2HE LYS 14 -3.026 3.798 -4.371
125 HZ2 LYS 14 1HZ LYS 14 -0.638 5.377 -3.590
126 HZ3 LYS 14 2HZ LYS 14 -0.799 4.493 -4.955
127 H ASN 15 H ASN 15 -4.771 0.044 -1.423
128 HA ASN 15 HA ASN 15 -6.634 0.299 -3.577
129 HB2 ASN 15 1HB ASN 15 -4.763 -1.516 -3.137
130 HB3 ASN 15 2HB ASN 15 -6.052 -2.315 -2.212
131 HD21 ASN 15 1HD2 ASN 15 -5.911 -4.057 -3.625
132 HD22 ASN 15 2HD2 ASN 15 -6.581 -4.011 -5.336
133 H GLN 16 H GLN 16 -7.030 -1.451 -0.584
134 HA GLN 16 HA GLN 16 -9.819 -2.100 -0.885
135 HB2 GLN 16 2HB GLN 16 -9.503 -3.401 0.994
136 HB3 GLN 16 1HB GLN 16 -7.939 -3.389 0.240
137 HG2 GLN 16 2HG GLN 16 -7.173 -1.594 1.925
138 HG3 GLN 16 1HG GLN 16 -8.725 -1.733 2.732
139 HE21 GLN 16 2HE2 GLN 16 -5.650 -3.298 2.210
140 HE22 GLN 16 1HE2 GLN 16 -5.922 -4.642 3.429
141 H ASN 17 H ASN 17 -8.343 0.686 0.687
142 HA ASN 17 HA ASN 17 -10.685 1.483 2.208
143 HB2 ASN 17 1HB ASN 17 -8.381 2.161 2.846
144 HB3 ASN 17 2HB ASN 17 -8.229 3.154 1.414
145 HD21 ASN 17 2HD2 ASN 17 -9.024 5.264 1.578
146 HD22 ASN 17 1HD2 ASN 17 -9.869 5.911 3.073
147 H LEU 18 H LEU 18 -9.564 2.536 -1.078
148 HA LEU 18 HA LEU 18 -11.513 4.421 -1.643
149 HB2 LEU 18 2HB LEU 18 -10.288 2.394 -3.573
150 HB3 LEU 18 1HB LEU 18 -11.046 3.896 -4.060
151 HG LEU 18 HG LEU 18 -8.684 3.868 -2.098
152 HD11 LEU 18 1HD1 LEU 18 -8.454 3.999 -5.154
153 HD12 LEU 18 2HD1 LEU 18 -7.123 4.216 -3.973
154 HD13 LEU 18 3HD1 LEU 18 -7.940 2.647 -4.105
155 HD21 LEU 18 1HD2 LEU 18 -9.741 6.107 -3.861
156 HD22 LEU 18 2HD2 LEU 18 -8.289 6.166 -2.801
157 HD23 LEU 18 3HD2 LEU 18 -9.895 5.947 -2.086
158 H PHE 19 H PHE 19 -11.819 1.102 -2.925
159 HA PHE 19 HA PHE 19 -14.765 1.197 -2.896
160 HB2 PHE 19 1HB PHE 19 -14.531 -0.887 -4.227
161 HB3 PHE 19 2HB PHE 19 -13.860 0.569 -4.924
162 HD1 PHE 19 HD2 PHE 19 -12.968 -2.787 -3.487
163 HD2 PHE 19 HD1 PHE 19 -11.440 0.751 -5.410
164 HE1 PHE 19 HE2 PHE 19 -10.908 -3.985 -4.076
165 HE2 PHE 19 HE1 PHE 19 -9.400 -0.480 -6.019
166 HZ PHE 19 HZ PHE 19 -9.136 -2.850 -5.363
167 H LYS 20 H LYS 20 -14.099 1.213 -0.236
168 HA LYS 20 HA LYS 20 -13.894 -1.402 0.938
169 HB2 LYS 20 2HB LYS 20 -13.150 0.831 1.919
170 HB3 LYS 20 1HB LYS 20 -14.847 1.072 2.313
171 HG2 LYS 20 1HG LYS 20 -13.823 0.285 4.303
172 HG3 LYS 20 2HG LYS 20 -14.767 -1.079 3.723
173 HD2 LYS 20 1HD LYS 20 -12.642 -2.091 2.726
174 HD3 LYS 20 2HD LYS 20 -11.724 -0.694 3.298
175 HE2 LYS 20 1HE LYS 20 -12.338 -1.278 5.699
176 HE3 LYS 20 2HE LYS 20 -13.244 -2.684 5.120
177 HZ2 LYS 20 1HZ LYS 20 -11.005 -3.242 5.815
178 HZ3 LYS 20 2HZ LYS 20 -10.339 -2.214 4.733
Start of MODEL 4
1 H1 LYS 1 H LYS 1 16.685 -2.933 0.382
2 HA LYS 1 HA LYS 1 14.970 -1.553 2.241
3 HB2 LYS 1 2HB LYS 1 14.754 0.602 1.004
4 HB3 LYS 1 1HB LYS 1 16.182 0.480 1.994
5 HG2 LYS 1 2HG LYS 1 16.397 -0.088 -1.023
6 HG3 LYS 1 1HG LYS 1 16.231 1.562 -0.447
7 HD2 LYS 1 1HD LYS 1 18.290 1.278 1.000
8 HD3 LYS 1 2HD LYS 1 18.491 -0.363 0.382
9 HE2 LYS 1 1HE LYS 1 18.722 0.544 -1.980
10 HE3 LYS 1 2HE LYS 1 18.529 2.192 -1.364
11 HZ2 LYS 1 1HZ LYS 1 20.700 0.307 -0.629
12 HZ3 LYS 1 2HZ LYS 1 20.838 1.582 -1.643
13 H MET 2 H MET 2 13.847 -3.338 1.606
14 HA MET 2 HA MET 2 12.437 -3.200 -0.969
15 HB2 MET 2 2HB MET 2 13.177 -5.274 -1.945
16 HB3 MET 2 1HB MET 2 14.620 -4.383 -1.531
17 HG2 MET 2 1HG MET 2 14.922 -5.828 0.542
18 HG3 MET 2 2HG MET 2 13.529 -6.805 0.032
19 HE1 MET 2 1HE MET 2 16.471 -8.028 0.505
20 HE2 MET 2 2HE MET 2 15.062 -9.006 -0.012
21 HE3 MET 2 3HE MET 2 16.604 -9.113 -0.910
22 H ASN 3 H ASN 3 11.218 -2.581 0.951
23 HA ASN 3 HA ASN 3 9.239 -4.667 1.515
24 HB2 ASN 3 2HB ASN 3 10.574 -3.180 3.897
25 HB3 ASN 3 1HB ASN 3 9.036 -3.996 4.023
26 HD21 ASN 3 2HD2 ASN 3 12.382 -4.452 4.279
27 HD22 ASN 3 1HD2 ASN 3 12.338 -6.278 4.454
28 H MET 4 H MET 4 9.944 -1.251 2.600
29 HA MET 4 HA MET 4 7.264 -0.468 1.951
30 HB2 MET 4 1HB MET 4 9.593 1.534 2.092
31 HB3 MET 4 2HB MET 4 7.901 1.816 2.460
32 HG2 MET 4 1HG MET 4 8.227 0.122 4.464
33 HG3 MET 4 2HG MET 4 9.946 0.271 4.131
34 HE1 MET 4 1HE MET 4 8.598 1.099 6.951
35 HE2 MET 4 2HE MET 4 9.461 2.628 7.292
36 HE3 MET 4 3HE MET 4 10.353 1.232 6.618
37 H LEU 5 H LEU 5 8.687 -1.608 -0.358
38 HA LEU 5 HA LEU 5 8.632 0.480 -2.488
39 HB2 LEU 5 1HB LEU 5 9.460 -2.470 -2.527
40 HB3 LEU 5 2HB LEU 5 9.448 -1.438 -3.949
41 HG LEU 5 HG LEU 5 11.216 -1.141 -1.453
42 HD11 LEU 5 1HD1 LEU 5 11.688 -3.018 -3.022
43 HD12 LEU 5 2HD1 LEU 5 11.812 -1.869 -4.379
44 HD13 LEU 5 3HD1 LEU 5 12.996 -1.806 -3.031
45 HD21 LEU 5 1HD2 LEU 5 12.454 0.674 -2.691
46 HD22 LEU 5 2HD2 LEU 5 11.182 0.691 -3.946
47 HD23 LEU 5 3HD2 LEU 5 10.808 1.170 -2.270
48 H LYS 6 H LYS 6 7.471 -2.871 -2.488
49 HA LYS 6 HA LYS 6 4.942 -2.196 -3.751
50 HB2 LYS 6 1HB LYS 6 5.823 -4.834 -2.393
51 HB3 LYS 6 2HB LYS 6 4.292 -4.653 -3.235
52 HG2 LYS 6 1HG LYS 6 5.492 -4.089 -5.379
53 HG3 LYS 6 2HG LYS 6 7.046 -4.290 -4.566
54 HD2 LYS 6 1HD LYS 6 6.464 -6.699 -4.041
55 HD3 LYS 6 2HD LYS 6 4.909 -6.500 -4.857
56 HE2 LYS 6 2HE LYS 6 6.116 -5.976 -7.035
57 HE3 LYS 6 1HE LYS 6 7.674 -6.173 -6.219
58 HZ2 LYS 6 1HZ LYS 6 7.039 -8.465 -5.706
59 HZ3 LYS 6 2HZ LYS 6 5.599 -8.283 -6.457
60 H GLU 7 H GLU 7 5.796 -2.633 -0.345
61 HA GLU 7 HA GLU 7 2.985 -2.604 0.606
62 HB2 GLU 7 1HB GLU 7 5.535 -1.973 2.237
63 HB3 GLU 7 2HB GLU 7 3.921 -2.078 2.915
64 HG2 GLU 7 2HG GLU 7 3.720 -4.491 2.241
65 HG3 GLU 7 1HG GLU 7 5.321 -4.440 1.510
66 HE2 GLU 7 HE2 GLU 7 3.567 -4.065 4.395
67 H ASN 8 H ASN 8 5.381 0.084 0.145
68 HA ASN 8 HA ASN 8 3.497 2.071 1.152
69 HB2 ASN 8 2HB ASN 8 5.932 2.603 0.590
70 HB3 ASN 8 1HB ASN 8 5.518 2.496 -1.155
71 HD21 ASN 8 2HD2 ASN 8 5.045 4.484 -2.034
72 HD22 ASN 8 1HD2 ASN 8 4.611 5.992 -1.084
73 H VAL 9 H VAL 9 3.992 0.933 -2.227
74 HA VAL 9 HA VAL 9 1.823 2.370 -3.384
75 HB VAL 9 HB VAL 9 4.097 0.872 -4.148
76 HG11 VAL 9 1HG1 VAL 9 3.450 -0.761 -5.862
77 HG12 VAL 9 2HG1 VAL 9 1.714 -0.538 -5.526
78 HG13 VAL 9 3HG1 VAL 9 2.768 -1.299 -4.315
79 HG21 VAL 9 1HG2 VAL 9 3.688 1.708 -6.373
80 HG22 VAL 9 2HG2 VAL 9 1.984 2.100 -5.960
81 HG23 VAL 9 3HG2 VAL 9 3.335 2.932 -5.137
82 H ASP 10 H ASP 10 1.301 0.082 -1.069
83 HA ASP 10 HA ASP 10 -1.146 -1.142 -2.129
84 HB2 ASP 10 2HB ASP 10 0.841 -2.723 -1.297
85 HB3 ASP 10 1HB ASP 10 0.367 -2.122 0.276
86 HD2 ASP 10 HD2 ASP 10 -2.536 -3.957 0.537
87 H TYR 11 H TYR 11 0.619 0.565 0.428
88 HA TYR 11 HA TYR 11 -1.531 1.081 2.310
89 HB2 TYR 11 1HB TYR 11 1.119 1.242 2.634
90 HB3 TYR 11 2HB TYR 11 0.902 2.820 2.006
91 HD1 TYR 11 HD1 TYR 11 -0.280 0.544 4.738
92 HD2 TYR 11 HD2 TYR 11 -0.131 4.610 3.381
93 HE1 TYR 11 HE1 TYR 11 -0.969 1.317 6.980
94 HE2 TYR 11 HE2 TYR 11 -0.817 5.384 5.623
95 HH TYR 11 HH TYR 11 -1.393 4.788 7.684
96 H ILE 12 H ILE 12 -0.394 2.973 -0.443
97 HA ILE 12 HA ILE 12 -1.952 5.398 0.176
98 HB ILE 12 HB ILE 12 -0.039 4.704 -1.987
99 HG12 ILE 12 1HG1 ILE 12 0.889 7.018 -1.480
100 HG13 ILE 12 2HG1 ILE 12 -0.361 7.247 -0.271
101 HG21 ILE 12 1HG2 ILE 12 -1.992 7.051 -2.354
102 HG22 ILE 12 2HG2 ILE 12 -0.537 6.752 -3.340
103 HG23 ILE 12 3HG2 ILE 12 -1.876 5.602 -3.384
104 HD11 ILE 12 1HD1 ILE 12 0.666 5.406 1.130
105 HD12 ILE 12 2HD1 ILE 12 1.857 6.656 0.721
106 HD13 ILE 12 3HD1 ILE 12 1.872 5.112 -0.154
107 H GLN 13 H GLN 13 -2.103 2.831 -2.300
108 HA GLN 13 HA GLN 13 -4.755 3.302 -3.179
109 HB2 GLN 13 2HB GLN 13 -3.419 0.610 -3.112
110 HB3 GLN 13 1HB GLN 13 -4.828 1.027 -4.006
111 HG2 GLN 13 2HG GLN 13 -2.068 2.270 -4.535
112 HG3 GLN 13 1HG GLN 13 -2.771 0.940 -5.426
113 HE21 GLN 13 1HE2 GLN 13 -2.684 4.366 -5.139
114 HE22 GLN 13 2HE2 GLN 13 -3.886 4.713 -6.481
115 H LYS 14 H LYS 14 -3.680 1.531 -0.249
116 HA LYS 14 HA LYS 14 -6.314 0.438 0.382
117 HB2 LYS 14 2HB LYS 14 -4.237 -0.514 1.306
118 HB3 LYS 14 1HB LYS 14 -3.939 0.959 2.247
119 HG2 LYS 14 1HG LYS 14 -6.038 0.460 3.592
120 HG3 LYS 14 2HG LYS 14 -6.337 -0.946 2.578
121 HD2 LYS 14 1HD LYS 14 -5.377 -1.752 4.617
122 HD3 LYS 14 2HD LYS 14 -4.165 -1.986 3.364
123 HE2 LYS 14 2HE LYS 14 -2.935 0.101 4.176
124 HE3 LYS 14 1HE LYS 14 -4.181 0.355 5.406
125 HZ2 LYS 14 1HZ LYS 14 -2.398 -2.008 5.195
126 HZ3 LYS 14 2HZ LYS 14 -2.249 -0.785 6.270
127 H ASN 15 H ASN 15 -4.804 3.543 1.236
128 HA ASN 15 HA ASN 15 -6.695 4.472 3.191
129 HB2 ASN 15 1HB ASN 15 -4.328 5.432 2.559
130 HB3 ASN 15 2HB ASN 15 -5.239 6.283 1.288
131 HD21 ASN 15 1HD2 ASN 15 -4.468 8.219 2.264
132 HD22 ASN 15 2HD2 ASN 15 -5.254 8.888 3.782
133 H GLN 16 H GLN 16 -6.442 5.329 -0.196
134 HA GLN 16 HA GLN 16 -8.935 6.796 -0.326
135 HB2 GLN 16 2HB GLN 16 -8.142 7.524 -2.379
136 HB3 GLN 16 1HB GLN 16 -6.713 7.304 -1.416
137 HG2 GLN 16 2HG GLN 16 -6.311 5.038 -2.600
138 HG3 GLN 16 1HG GLN 16 -7.682 5.386 -3.637
139 HE21 GLN 16 1HE2 GLN 16 -4.384 6.315 -2.886
140 HE22 GLN 16 2HE2 GLN 16 -4.144 7.318 -4.404
141 H ASN 17 H ASN 17 -8.100 3.587 -1.572
142 HA ASN 17 HA ASN 17 -10.789 3.244 -2.792
143 HB2 ASN 17 1HB ASN 17 -8.489 1.228 -2.786
144 HB3 ASN 17 2HB ASN 17 -10.006 1.021 -3.614
145 HD21 ASN 17 1HD2 ASN 17 -6.880 2.106 -4.059
146 HD22 ASN 17 2HD2 ASN 17 -7.165 2.997 -5.638
147 H LEU 18 H LEU 18 -9.494 2.366 0.328
148 HA LEU 18 HA LEU 18 -9.799 0.627 1.880
149 HB2 LEU 18 1HB LEU 18 -12.469 1.884 1.210
150 HB3 LEU 18 2HB LEU 18 -12.078 1.108 2.722
151 HG LEU 18 HG LEU 18 -10.169 3.324 1.756
152 HD11 LEU 18 1HD2 LEU 18 -12.870 3.977 2.977
153 HD12 LEU 18 2HD2 LEU 18 -11.503 5.105 2.669
154 HD13 LEU 18 3HD2 LEU 18 -12.315 4.310 1.306
155 HD21 LEU 18 1HD1 LEU 18 -9.571 2.047 3.780
156 HD22 LEU 18 2HD1 LEU 18 -9.848 3.765 4.123
157 HD23 LEU 18 3HD1 LEU 18 -11.091 2.554 4.569
158 H PHE 19 H PHE 19 -9.265 -1.223 0.089
159 HA PHE 19 HA PHE 19 -11.277 -2.954 -0.800
160 HB2 PHE 19 1HB PHE 19 -8.522 -3.858 -0.122
161 HB3 PHE 19 2HB PHE 19 -9.639 -4.491 -1.300
162 HD1 PHE 19 HD1 PHE 19 -10.214 -3.042 -3.398
163 HD2 PHE 19 HD2 PHE 19 -6.971 -2.065 -0.742
164 HE1 PHE 19 HE1 PHE 19 -9.126 -1.742 -5.185
165 HE2 PHE 19 HE2 PHE 19 -5.899 -0.780 -2.538
166 HZ PHE 19 HZ PHE 19 -6.963 -0.621 -4.763
167 H LYS 20 H LYS 20 -12.709 -2.977 1.448
168 HA LYS 20 HA LYS 20 -11.840 -4.733 3.527
169 HB2 LYS 20 1HB LYS 20 -13.395 -2.853 3.784
170 HB3 LYS 20 2HB LYS 20 -14.609 -3.797 2.915
171 HG2 LYS 20 1HG LYS 20 -14.535 -5.553 4.746
172 HG3 LYS 20 2HG LYS 20 -13.290 -4.620 5.579
173 HD2 LYS 20 1HD LYS 20 -14.931 -2.671 5.809
174 HD3 LYS 20 2HD LYS 20 -16.143 -3.620 4.963
175 HE2 LYS 20 1HE LYS 20 -16.679 -3.790 7.294
176 HE3 LYS 20 2HE LYS 20 -16.068 -5.374 6.822
177 HZ2 LYS 20 1HZ LYS 20 -13.935 -4.784 7.807
178 HZ3 LYS 20 2HZ LYS 20 -15.140 -4.675 8.905
Start of MODEL 5
1 H1 LYS 1 H LYS 1 16.340 -2.540 0.983
2 HA LYS 1 HA LYS 1 14.586 -0.346 1.553
3 HB2 LYS 1 2HB LYS 1 14.832 0.886 -0.682
4 HB3 LYS 1 1HB LYS 1 15.995 1.231 0.565
5 HG2 LYS 1 2HG LYS 1 17.186 1.253 -1.465
6 HG3 LYS 1 1HG LYS 1 17.744 -0.150 -0.574
7 HD2 LYS 1 2HD LYS 1 16.383 -1.663 -2.038
8 HD3 LYS 1 1HD LYS 1 15.700 -0.267 -2.885
9 HE2 LYS 1 2HE LYS 1 18.028 0.372 -3.690
10 HE3 LYS 1 1HE LYS 1 18.707 -1.021 -2.835
11 HZ2 LYS 1 1HZ LYS 1 17.375 -2.475 -4.213
12 HZ3 LYS 1 2HZ LYS 1 18.334 -1.524 -5.134
13 H MET 2 H MET 2 14.023 -2.802 1.674
14 HA MET 2 HA MET 2 12.348 -3.472 -0.712
15 HB2 MET 2 1HB MET 2 14.469 -5.216 0.754
16 HB3 MET 2 2HB MET 2 13.218 -5.942 -0.244
17 HG2 MET 2 2HG MET 2 15.373 -4.004 -1.239
18 HG3 MET 2 1HG MET 2 15.353 -5.760 -1.443
19 HE1 MET 2 1HE MET 2 15.668 -5.309 -4.125
20 HE2 MET 2 2HE MET 2 14.541 -4.303 -5.083
21 HE3 MET 2 3HE MET 2 15.586 -3.541 -3.848
22 H ASN 3 H ASN 3 11.242 -2.250 1.202
23 HA ASN 3 HA ASN 3 9.421 -4.247 2.468
24 HB2 ASN 3 2HB ASN 3 10.511 -1.763 3.984
25 HB3 ASN 3 1HB ASN 3 9.160 -2.726 4.537
26 HD21 ASN 3 2HD2 ASN 3 12.540 -2.457 4.645
27 HD22 ASN 3 1HD2 ASN 3 12.855 -4.050 5.500
28 H MET 4 H MET 4 9.621 -0.651 1.969
29 HA MET 4 HA MET 4 6.839 -0.501 1.328
30 HB2 MET 4 2HB MET 4 8.910 1.535 0.334
31 HB3 MET 4 1HB MET 4 7.216 1.800 0.706
32 HG2 MET 4 2HG MET 4 7.841 1.235 3.210
33 HG3 MET 4 1HG MET 4 9.514 1.359 2.680
34 HE1 MET 4 1HE MET 4 9.927 3.377 4.423
35 HE2 MET 4 2HE MET 4 8.898 4.838 4.495
36 HE3 MET 4 3HE MET 4 8.220 3.248 4.952
37 H LEU 5 H LEU 5 7.851 -2.582 -0.329
38 HA LEU 5 HA LEU 5 7.952 -1.638 -3.140
39 HB2 LEU 5 1HB LEU 5 8.915 -3.521 -3.941
40 HB3 LEU 5 2HB LEU 5 9.786 -2.912 -2.575
41 HG LEU 5 HG LEU 5 8.323 -4.704 -1.216
42 HD11 LEU 5 1HD1 LEU 5 7.016 -5.526 -3.295
43 HD12 LEU 5 2HD1 LEU 5 8.544 -6.092 -3.981
44 HD13 LEU 5 3HD1 LEU 5 7.916 -6.809 -2.466
45 HD21 LEU 5 1HD2 LEU 5 10.779 -5.349 -2.952
46 HD22 LEU 5 2HD2 LEU 5 10.762 -4.572 -1.354
47 HD23 LEU 5 3HD2 LEU 5 10.268 -6.277 -1.492
48 H LYS 6 H LYS 6 6.476 -4.227 -1.254
49 HA LYS 6 HA LYS 6 3.929 -4.124 -2.725
50 HB2 LYS 6 1HB LYS 6 5.107 -6.303 -1.947
51 HB3 LYS 6 2HB LYS 6 4.716 -5.872 -0.290
52 HG2 LYS 6 2HG LYS 6 2.235 -5.952 -0.882
53 HG3 LYS 6 1HG LYS 6 2.653 -6.348 -2.551
54 HD2 LYS 6 2HD LYS 6 3.804 -8.466 -1.751
55 HD3 LYS 6 1HD LYS 6 3.370 -8.065 -0.085
56 HE2 LYS 6 2HE LYS 6 0.901 -8.158 -0.708
57 HE3 LYS 6 1HE LYS 6 1.341 -8.564 -2.374
58 HZ2 LYS 6 1HZ LYS 6 2.040 -10.178 0.017
59 HZ3 LYS 6 2HZ LYS 6 2.460 -10.551 -1.518
60 H GLU 7 H GLU 7 5.127 -3.151 0.469
61 HA GLU 7 HA GLU 7 2.482 -2.410 1.560
62 HB2 GLU 7 2HB GLU 7 5.254 -1.360 2.446
63 HB3 GLU 7 1HB GLU 7 3.752 -1.041 3.294
64 HG2 GLU 7 2HG GLU 7 3.450 -3.487 3.787
65 HG3 GLU 7 1HG GLU 7 4.918 -3.870 2.893
66 HE2 GLU 7 HE2 GLU 7 3.611 -2.337 5.594
67 H ASN 8 H ASN 8 4.856 -0.454 -0.341
68 HA ASN 8 HA ASN 8 3.227 1.960 -0.100
69 HB2 ASN 8 2HB ASN 8 5.602 1.927 -1.100
70 HB3 ASN 8 1HB ASN 8 4.918 1.158 -2.560
71 HD21 ASN 8 2HD2 ASN 8 4.904 4.132 -0.562
72 HD22 ASN 8 1HD2 ASN 8 4.441 5.246 -1.944
73 H VAL 9 H VAL 9 3.237 -0.582 -2.647
74 HA VAL 9 HA VAL 9 0.966 0.369 -4.079
75 HB VAL 9 HB VAL 9 3.091 -1.487 -4.343
76 HG11 VAL 9 1HG2 VAL 9 1.685 -3.409 -3.420
77 HG12 VAL 9 2HG2 VAL 9 0.513 -3.151 -4.729
78 HG13 VAL 9 3HG2 VAL 9 2.186 -3.634 -5.105
79 HG21 VAL 9 1HG1 VAL 9 0.797 -0.987 -6.279
80 HG22 VAL 9 2HG1 VAL 9 2.261 0.010 -6.045
81 HG23 VAL 9 3HG1 VAL 9 2.423 -1.648 -6.657
82 H ASP 10 H ASP 10 0.651 -0.560 -0.942
83 HA ASP 10 HA ASP 10 -1.915 -1.949 -1.092
84 HB2 ASP 10 2HB ASP 10 0.139 -3.173 0.114
85 HB3 ASP 10 1HB ASP 10 -0.154 -1.950 1.332
86 HD2 ASP 10 HD2 ASP 10 -1.492 -4.515 -0.406
87 H TYR 11 H TYR 11 0.230 0.556 0.194
88 HA TYR 11 HA TYR 11 -1.595 1.990 1.936
89 HB2 TYR 11 1HB TYR 11 1.058 2.071 1.828
90 HB3 TYR 11 2HB TYR 11 0.788 3.224 0.586
91 HD1 TYR 11 HD2 TYR 11 0.014 2.484 4.174
92 HD2 TYR 11 HD1 TYR 11 -0.004 5.519 1.142
93 HE1 TYR 11 HE2 TYR 11 -0.304 4.213 5.908
94 HE2 TYR 11 HE1 TYR 11 -0.320 7.249 2.876
95 HH TYR 11 HH TYR 11 -0.567 7.664 5.045
96 H ILE 12 H ILE 12 -0.968 2.391 -1.526
97 HA ILE 12 HA ILE 12 -2.356 4.977 -1.757
98 HB ILE 12 HB ILE 12 -1.008 3.240 -3.761
99 HG12 ILE 12 1HG1 ILE 12 0.059 5.486 -4.458
100 HG13 ILE 12 2HG1 ILE 12 -0.791 6.256 -3.134
101 HG21 ILE 12 1HG2 ILE 12 -1.750 4.668 -5.689
102 HG22 ILE 12 2HG2 ILE 12 -3.096 3.772 -4.979
103 HG23 ILE 12 3HG2 ILE 12 -2.906 5.505 -4.618
104 HD11 ILE 12 1HD1 ILE 12 1.372 4.062 -2.875
105 HD12 ILE 12 2HD1 ILE 12 1.602 5.800 -2.604
106 HD13 ILE 12 3HD1 ILE 12 0.580 4.872 -1.491
107 H GLN 13 H GLN 13 -3.045 1.597 -2.724
108 HA GLN 13 HA GLN 13 -5.819 2.057 -3.302
109 HB2 GLN 13 2HB GLN 13 -6.134 -0.330 -3.284
110 HB3 GLN 13 1HB GLN 13 -4.761 0.095 -4.246
111 HG2 GLN 13 2HG GLN 13 -3.264 -0.592 -2.284
112 HG3 GLN 13 1HG GLN 13 -4.692 -1.082 -1.385
113 HE21 GLN 13 1HE2 GLN 13 -4.377 -3.272 -1.292
114 HE22 GLN 13 2HE2 GLN 13 -4.139 -4.356 -2.753
115 H LYS 14 H LYS 14 -4.161 1.497 -0.174
116 HA LYS 14 HA LYS 14 -6.626 1.018 1.322
117 HB2 LYS 14 1HB LYS 14 -4.453 0.263 2.159
118 HB3 LYS 14 2HB LYS 14 -3.887 1.936 2.326
119 HG2 LYS 14 2HG LYS 14 -5.610 2.315 4.124
120 HG3 LYS 14 1HG LYS 14 -6.247 0.693 3.866
121 HD2 LYS 14 1HD LYS 14 -4.886 0.608 5.834
122 HD3 LYS 14 2HD LYS 14 -4.032 -0.297 4.591
123 HE2 LYS 14 1HE LYS 14 -2.491 1.696 4.201
124 HE3 LYS 14 2HE LYS 14 -3.385 2.629 5.409
125 HZ2 LYS 14 1HZ LYS 14 -1.426 1.657 6.350
126 HZ3 LYS 14 2HZ LYS 14 -2.744 1.017 7.076
127 H ASN 15 H ASN 15 -4.807 4.021 0.663
128 HA ASN 15 HA ASN 15 -6.140 5.896 2.364
129 HB2 ASN 15 1HB ASN 15 -4.033 6.238 0.862
130 HB3 ASN 15 2HB ASN 15 -5.226 6.541 -0.424
131 HD21 ASN 15 1HD2 ASN 15 -4.237 8.614 -0.616
132 HD22 ASN 15 2HD2 ASN 15 -4.641 9.960 0.565
133 H GLN 16 H GLN 16 -6.756 5.225 -0.999
134 HA GLN 16 HA GLN 16 -9.256 6.694 -1.210
135 HB2 GLN 16 2HB GLN 16 -8.944 6.376 -3.510
136 HB3 GLN 16 1HB GLN 16 -7.337 6.513 -2.861
137 HG2 GLN 16 1HG GLN 16 -7.181 3.917 -2.915
138 HG3 GLN 16 2HG GLN 16 -8.709 3.887 -3.767
139 HE21 GLN 16 1HE2 GLN 16 -8.725 4.529 -5.970
140 HE22 GLN 16 2HE2 GLN 16 -7.175 4.837 -6.901
141 H ASN 17 H ASN 17 -8.675 3.367 -0.365
142 HA ASN 17 HA ASN 17 -11.510 2.709 -0.257
143 HB2 ASN 17 2HB ASN 17 -9.815 1.081 -2.254
144 HB3 ASN 17 1HB ASN 17 -11.311 0.508 -1.557
145 HD21 ASN 17 1HD2 ASN 17 -10.185 1.808 -4.300
146 HD22 ASN 17 2HD2 ASN 17 -11.723 2.621 -4.883
147 H LEU 18 H LEU 18 -10.120 2.850 2.027
148 HA LEU 18 HA LEU 18 -8.560 1.269 3.159
149 HB2 LEU 18 1HB LEU 18 -11.390 1.657 4.252
150 HB3 LEU 18 2HB LEU 18 -10.030 1.216 5.252
151 HG LEU 18 HG LEU 18 -9.864 3.768 3.545
152 HD11 LEU 18 1HD1 LEU 18 -10.798 5.100 5.383
153 HD12 LEU 18 2HD1 LEU 18 -11.995 3.957 4.744
154 HD13 LEU 18 3HD1 LEU 18 -11.191 3.612 6.301
155 HD21 LEU 18 1HD2 LEU 18 -8.534 3.057 6.216
156 HD22 LEU 18 2HD2 LEU 18 -7.768 2.962 4.611
157 HD23 LEU 18 3HD2 LEU 18 -8.283 4.537 5.239
158 H PHE 19 H PHE 19 -11.641 -0.217 2.304
159 HA PHE 19 HA PHE 19 -11.289 -2.771 3.544
160 HB2 PHE 19 1HB PHE 19 -13.113 -3.496 1.981
161 HB3 PHE 19 2HB PHE 19 -13.490 -2.138 3.008
162 HD1 PHE 19 HD1 PHE 19 -13.727 0.208 1.982
163 HD2 PHE 19 HD2 PHE 19 -13.022 -3.237 -0.498
164 HE1 PHE 19 HE1 PHE 19 -14.515 1.449 0.014
165 HE2 PHE 19 HE2 PHE 19 -13.813 -1.976 -2.459
166 HZ PHE 19 HZ PHE 19 -14.568 0.364 -2.205
167 H LYS 20 H LYS 20 -10.655 -1.903 0.139
168 HA LYS 20 HA LYS 20 -8.966 -4.354 -0.199
169 HB2 LYS 20 2HB LYS 20 -10.950 -4.042 -1.662
170 HB3 LYS 20 1HB LYS 20 -10.138 -2.649 -2.361
171 HG2 LYS 20 1HG LYS 20 -9.035 -5.532 -2.371
172 HG3 LYS 20 2HG LYS 20 -10.060 -4.900 -3.636
173 HD2 LYS 20 2HD LYS 20 -7.238 -3.853 -2.974
174 HD3 LYS 20 1HD LYS 20 -7.659 -4.969 -4.258
175 HE2 LYS 20 1HE LYS 20 -9.119 -3.199 -5.356
176 HE3 LYS 20 2HE LYS 20 -8.669 -2.048 -4.089
177 HZ2 LYS 20 1HZ LYS 20 -6.803 -3.360 -5.982
178 HZ3 LYS 20 2HZ LYS 20 -7.316 -1.809 -6.054
Start of MODEL 6
1 H1 LYS 1 H LYS 1 16.149 -3.590 0.833
2 HA LYS 1 HA LYS 1 14.355 -2.190 2.594
3 HB2 LYS 1 2HB LYS 1 14.230 -0.045 1.317
4 HB3 LYS 1 1HB LYS 1 15.581 -0.154 2.408
5 HG2 LYS 1 1HG LYS 1 16.003 -0.752 -0.584
6 HG3 LYS 1 2HG LYS 1 15.817 0.900 -0.024
7 HD2 LYS 1 1HD LYS 1 17.787 0.595 1.562
8 HD3 LYS 1 2HD LYS 1 17.978 -1.048 0.981
9 HE2 LYS 1 1HE LYS 1 19.621 0.241 -0.178
10 HE3 LYS 1 2HE LYS 1 18.401 -0.177 -1.379
11 HZ2 LYS 1 1HZ LYS 1 19.099 2.127 -1.516
12 HZ3 LYS 1 2HZ LYS 1 18.657 2.431 0.028
13 H MET 2 H MET 2 13.323 -4.049 1.875
14 HA MET 2 HA MET 2 12.050 -3.841 -0.790
15 HB2 MET 2 1HB MET 2 12.772 -6.012 -1.587
16 HB3 MET 2 2HB MET 2 14.201 -5.095 -1.180
17 HG2 MET 2 1HG MET 2 13.069 -7.275 0.693
18 HG3 MET 2 2HG MET 2 14.281 -7.559 -0.566
19 HE1 MET 2 1HE MET 2 14.665 -8.139 2.637
20 HE2 MET 2 2HE MET 2 16.364 -7.612 2.827
21 HE3 MET 2 3HE MET 2 15.881 -8.561 1.389
22 H ASN 3 H ASN 3 10.752 -3.151 1.142
23 HA ASN 3 HA ASN 3 8.597 -5.131 1.430
24 HB2 ASN 3 2HB ASN 3 9.835 -3.816 3.952
25 HB3 ASN 3 1HB ASN 3 8.210 -4.454 3.944
26 HD21 ASN 3 2HD2 ASN 3 7.903 -6.757 3.758
27 HD22 ASN 3 1HD2 ASN 3 9.278 -7.898 4.176
28 H MET 4 H MET 4 9.342 -1.798 2.712
29 HA MET 4 HA MET 4 6.806 -0.844 1.804
30 HB2 MET 4 1HB MET 4 9.222 1.006 2.255
31 HB3 MET 4 2HB MET 4 7.521 1.387 2.452
32 HG2 MET 4 1HG MET 4 7.519 -0.370 4.422
33 HG3 MET 4 2HG MET 4 9.272 -0.336 4.279
34 HE1 MET 4 1HE MET 4 7.666 0.523 6.958
35 HE2 MET 4 2HE MET 4 8.592 1.973 7.443
36 HE3 MET 4 3HE MET 4 9.453 0.530 6.830
37 H LEU 5 H LEU 5 8.368 -2.004 -0.397
38 HA LEU 5 HA LEU 5 8.674 0.142 -2.442
39 HB2 LEU 5 2HB LEU 5 9.186 -2.881 -2.511
40 HB3 LEU 5 1HB LEU 5 9.373 -1.834 -3.911
41 HG LEU 5 HG LEU 5 10.997 -1.762 -1.307
42 HD11 LEU 5 1HD1 LEU 5 11.379 -3.647 -2.890
43 HD12 LEU 5 2HD1 LEU 5 11.684 -2.495 -4.217
44 HD13 LEU 5 3HD1 LEU 5 12.798 -2.571 -2.814
45 HD21 LEU 5 1HD2 LEU 5 11.302 0.116 -3.746
46 HD22 LEU 5 2HD2 LEU 5 12.490 -0.062 -2.423
47 HD23 LEU 5 3HD2 LEU 5 10.882 0.594 -2.081
48 H LYS 6 H LYS 6 7.154 -3.047 -2.730
49 HA LYS 6 HA LYS 6 4.815 -1.981 -4.089
50 HB2 LYS 6 1HB LYS 6 5.861 -4.298 -4.482
51 HB3 LYS 6 2HB LYS 6 5.198 -4.829 -2.942
52 HG2 LYS 6 1HG LYS 6 2.855 -4.396 -3.825
53 HG3 LYS 6 2HG LYS 6 3.534 -3.817 -5.347
54 HD2 LYS 6 1HD LYS 6 4.600 -6.077 -5.732
55 HD3 LYS 6 2HD LYS 6 3.928 -6.678 -4.225
56 HE2 LYS 6 2HE LYS 6 2.237 -5.664 -6.619
57 HE3 LYS 6 1HE LYS 6 2.663 -7.350 -6.339
58 HZ2 LYS 6 1HZ LYS 6 1.083 -5.691 -4.458
59 HZ3 LYS 6 2HZ LYS 6 1.485 -7.258 -4.223
60 H GLU 7 H GLU 7 5.398 -2.826 -0.702
61 HA GLU 7 HA GLU 7 2.550 -2.634 0.102
62 HB2 GLU 7 2HB GLU 7 5.035 -2.354 1.922
63 HB3 GLU 7 1HB GLU 7 3.381 -2.414 2.497
64 HG2 GLU 7 2HG GLU 7 3.066 -4.728 1.628
65 HG3 GLU 7 1HG GLU 7 4.676 -4.727 0.920
66 HE2 GLU 7 HE2 GLU 7 6.198 -5.365 2.028
67 H ASN 8 H ASN 8 5.172 -0.121 0.025
68 HA ASN 8 HA ASN 8 3.398 1.910 1.133
69 HB2 ASN 8 1HB ASN 8 5.889 2.303 0.739
70 HB3 ASN 8 2HB ASN 8 5.554 2.406 -1.022
71 HD21 ASN 8 2HD2 ASN 8 5.340 4.509 -1.689
72 HD22 ASN 8 1HD2 ASN 8 4.917 5.936 -0.616
73 H VAL 9 H VAL 9 4.001 1.055 -2.309
74 HA VAL 9 HA VAL 9 2.024 2.761 -3.437
75 HB VAL 9 HB VAL 9 4.216 1.150 -4.220
76 HG11 VAL 9 1HG2 VAL 9 1.810 0.084 -5.849
77 HG12 VAL 9 2HG2 VAL 9 2.726 -0.875 -4.668
78 HG13 VAL 9 3HG2 VAL 9 3.538 -0.256 -6.117
79 HG21 VAL 9 1HG1 VAL 9 2.316 2.709 -6.015
80 HG22 VAL 9 2HG1 VAL 9 4.005 2.216 -6.376
81 HG23 VAL 9 3HG1 VAL 9 3.676 3.350 -5.049
82 H ASP 10 H ASP 10 1.139 0.325 -1.367
83 HA ASP 10 HA ASP 10 -1.289 -0.579 -2.710
84 HB2 ASP 10 2HB ASP 10 0.515 -2.415 -1.920
85 HB3 ASP 10 1HB ASP 10 -0.086 -1.966 -0.341
86 HD2 ASP 10 HD2 ASP 10 -0.925 -3.172 -3.380
87 H TYR 11 H TYR 11 0.459 0.745 0.072
88 HA TYR 11 HA TYR 11 -1.715 1.178 1.936
89 HB2 TYR 11 2HB TYR 11 0.888 1.173 2.372
90 HB3 TYR 11 1HB TYR 11 0.808 2.807 1.842
91 HD1 TYR 11 HD2 TYR 11 -0.601 0.433 4.376
92 HD2 TYR 11 HD1 TYR 11 -0.125 4.565 3.322
93 HE1 TYR 11 HE2 TYR 11 -1.289 1.093 6.652
94 HE2 TYR 11 HE1 TYR 11 -0.809 5.224 5.600
95 HH TYR 11 HH TYR 11 -1.674 2.778 8.048
96 H ILE 12 H ILE 12 -0.550 3.249 -0.683
97 HA ILE 12 HA ILE 12 -1.988 5.663 0.194
98 HB ILE 12 HB ILE 12 -0.277 5.086 -2.171
99 HG12 ILE 12 2HG1 ILE 12 0.788 7.345 -1.487
100 HG13 ILE 12 1HG1 ILE 12 -0.279 7.373 -0.098
101 HG21 ILE 12 1HG2 ILE 12 -2.100 7.563 -2.089
102 HG22 ILE 12 2HG2 ILE 12 -0.757 7.308 -3.236
103 HG23 ILE 12 3HG2 ILE 12 -2.163 6.242 -3.281
104 HD11 ILE 12 1HD1 ILE 12 0.891 5.287 0.795
105 HD12 ILE 12 2HD1 ILE 12 1.915 5.272 -0.672
106 HD13 ILE 12 3HD1 ILE 12 2.023 6.616 0.481
107 H GLN 13 H GLN 13 -2.409 3.272 -2.444
108 HA GLN 13 HA GLN 13 -5.091 4.076 -3.064
109 HB2 GLN 13 2HB GLN 13 -5.324 2.010 -4.296
110 HB3 GLN 13 1HB GLN 13 -3.877 2.853 -4.747
111 HG2 GLN 13 1HG GLN 13 -2.501 1.234 -3.390
112 HG3 GLN 13 2HG GLN 13 -3.950 0.419 -2.846
113 HE21 GLN 13 2HE2 GLN 13 -1.795 0.831 -5.565
114 HE22 GLN 13 1HE2 GLN 13 -2.523 -0.526 -6.564
115 H LYS 14 H LYS 14 -3.850 1.869 -0.510
116 HA LYS 14 HA LYS 14 -6.477 0.788 0.161
117 HB2 LYS 14 2HB LYS 14 -4.327 -0.309 0.802
118 HB3 LYS 14 1HB LYS 14 -4.025 0.978 1.985
119 HG2 LYS 14 1HG LYS 14 -6.138 0.226 3.218
120 HG3 LYS 14 2HG LYS 14 -6.402 -0.988 1.971
121 HD2 LYS 14 1HD LYS 14 -5.437 -2.128 3.835
122 HD3 LYS 14 2HD LYS 14 -4.201 -2.096 2.583
123 HE2 LYS 14 2HE LYS 14 -3.055 -0.151 3.785
124 HE3 LYS 14 1HE LYS 14 -4.323 -0.169 5.017
125 HZ2 LYS 14 1HZ LYS 14 -2.414 -1.383 5.745
126 HZ3 LYS 14 2HZ LYS 14 -3.671 -2.417 5.594
127 H ASN 15 H ASN 15 -4.842 3.756 1.235
128 HA ASN 15 HA ASN 15 -6.511 4.458 3.461
129 HB2 ASN 15 1HB ASN 15 -4.240 5.520 2.663
130 HB3 ASN 15 2HB ASN 15 -5.296 6.470 1.589
131 HD21 ASN 15 1HD2 ASN 15 -4.437 8.320 2.652
132 HD22 ASN 15 2HD2 ASN 15 -5.050 8.829 4.306
133 H GLN 16 H GLN 16 -6.657 5.609 0.157
134 HA GLN 16 HA GLN 16 -9.171 7.030 0.432
135 HB2 GLN 16 2HB GLN 16 -8.593 7.963 -1.625
136 HB3 GLN 16 1HB GLN 16 -7.085 7.717 -0.799
137 HG2 GLN 16 2HG GLN 16 -6.734 5.559 -2.202
138 HG3 GLN 16 1HG GLN 16 -8.170 5.984 -3.115
139 HE21 GLN 16 2HE2 GLN 16 -4.812 6.694 -2.648
140 HE22 GLN 16 1HE2 GLN 16 -4.690 7.933 -3.996
141 H ASN 17 H ASN 17 -8.388 3.980 -1.194
142 HA ASN 17 HA ASN 17 -11.149 3.659 -2.224
143 HB2 ASN 17 2HB ASN 17 -8.824 1.686 -2.485
144 HB3 ASN 17 1HB ASN 17 -10.385 1.487 -3.228
145 HD21 ASN 17 2HD2 ASN 17 -11.050 3.104 -4.869
146 HD22 ASN 17 1HD2 ASN 17 -9.730 3.892 -5.870
147 H LEU 18 H LEU 18 -9.590 2.559 0.710
148 HA LEU 18 HA LEU 18 -9.781 0.719 2.141
149 HB2 LEU 18 1HB LEU 18 -12.488 2.063 1.846
150 HB3 LEU 18 2HB LEU 18 -11.968 1.181 3.258
151 HG LEU 18 HG LEU 18 -10.112 3.428 2.264
152 HD11 LEU 18 1HD2 LEU 18 -12.672 4.033 3.775
153 HD12 LEU 18 2HD2 LEU 18 -12.264 4.476 2.088
154 HD13 LEU 18 3HD2 LEU 18 -11.314 5.159 3.422
155 HD21 LEU 18 1HD1 LEU 18 -10.777 2.469 5.090
156 HD22 LEU 18 2HD1 LEU 18 -9.557 3.693 4.614
157 HD23 LEU 18 3HD1 LEU 18 -9.350 2.001 4.123
158 H PHE 19 H PHE 19 -9.605 -0.760 -0.103
159 HA PHE 19 HA PHE 19 -11.782 -2.611 -0.386
160 HB2 PHE 19 2HB PHE 19 -10.050 -3.840 -1.829
161 HB3 PHE 19 1HB PHE 19 -10.477 -2.214 -2.288
162 HD1 PHE 19 HD1 PHE 19 -7.785 -4.082 -0.318
163 HD2 PHE 19 HD2 PHE 19 -8.714 -0.654 -2.746
164 HE1 PHE 19 HE1 PHE 19 -5.398 -3.492 -0.414
165 HE2 PHE 19 HE2 PHE 19 -6.330 -0.088 -2.842
166 HZ PHE 19 HZ PHE 19 -4.663 -1.501 -1.674
167 H LYS 20 H LYS 20 -10.958 -5.196 -0.375
168 HA LYS 20 HA LYS 20 -10.800 -5.867 2.457
169 HB2 LYS 20 2HB LYS 20 -12.307 -6.947 0.790
170 HB3 LYS 20 1HB LYS 20 -10.891 -7.768 0.150
171 HG2 LYS 20 2HG LYS 20 -11.884 -7.999 3.068
172 HG3 LYS 20 1HG LYS 20 -12.440 -9.034 1.764
173 HD2 LYS 20 2HD LYS 20 -10.052 -9.840 1.386
174 HD3 LYS 20 1HD LYS 20 -9.541 -8.894 2.788
175 HE2 LYS 20 1HE LYS 20 -11.137 -10.205 4.267
176 HE3 LYS 20 2HE LYS 20 -11.641 -11.165 2.867
177 HZ2 LYS 20 1HZ LYS 20 -9.375 -11.940 2.626
178 HZ3 LYS 20 2HZ LYS 20 -9.957 -12.295 4.112
Start of MODEL 7
1 H1 LYS 1 H LYS 1 16.470 -2.543 0.896
2 HA LYS 1 HA LYS 1 14.416 -1.746 2.745
3 HB2 LYS 1 1HB LYS 1 13.881 0.485 1.755
4 HB3 LYS 1 2HB LYS 1 15.232 0.483 2.855
5 HG2 LYS 1 2HG LYS 1 15.765 0.376 -0.175
6 HG3 LYS 1 1HG LYS 1 15.257 1.877 0.579
7 HD2 LYS 1 2HD LYS 1 17.225 1.758 2.171
8 HD3 LYS 1 1HD LYS 1 17.768 0.279 1.375
9 HE2 LYS 1 2HE LYS 1 17.994 1.532 -0.823
10 HE3 LYS 1 1HE LYS 1 17.457 3.019 -0.029
11 HZ2 LYS 1 1HZ LYS 1 19.853 2.863 -0.163
12 HZ3 LYS 1 2HZ LYS 1 19.881 1.456 0.670
13 H MET 2 H MET 2 13.716 -3.644 1.772
14 HA MET 2 HA MET 2 12.517 -3.321 -0.915
15 HB2 MET 2 1HB MET 2 13.628 -5.221 -1.921
16 HB3 MET 2 2HB MET 2 14.857 -4.136 -1.326
17 HG2 MET 2 2HG MET 2 14.064 -6.703 0.197
18 HG3 MET 2 1HG MET 2 15.352 -6.603 -1.013
19 HE1 MET 2 1HE MET 2 15.774 -7.560 2.064
20 HE2 MET 2 2HE MET 2 17.080 -7.537 0.837
21 HE3 MET 2 3HE MET 2 17.328 -6.749 2.423
22 H ASN 3 H ASN 3 11.028 -3.160 1.049
23 HA ASN 3 HA ASN 3 9.256 -5.513 0.940
24 HB2 ASN 3 2HB ASN 3 10.080 -4.335 3.694
25 HB3 ASN 3 1HB ASN 3 8.674 -5.348 3.471
26 HD21 ASN 3 1HD2 ASN 3 8.991 -7.609 2.946
27 HD22 ASN 3 2HD2 ASN 3 10.591 -8.415 3.343
28 H MET 4 H MET 4 9.423 -2.225 2.501
29 HA MET 4 HA MET 4 6.715 -1.657 1.740
30 HB2 MET 4 2HB MET 4 8.811 0.519 2.272
31 HB3 MET 4 1HB MET 4 7.077 0.590 2.527
32 HG2 MET 4 1HG MET 4 7.441 -1.280 4.365
33 HG3 MET 4 2HG MET 4 9.154 -0.926 4.187
34 HE1 MET 4 1HE MET 4 9.286 -0.213 6.783
35 HE2 MET 4 2HE MET 4 8.205 1.002 7.527
36 HE3 MET 4 3HE MET 4 7.536 -0.557 6.960
37 H LEU 5 H LEU 5 7.937 -2.543 -0.651
38 HA LEU 5 HA LEU 5 8.437 -0.245 -2.458
39 HB2 LEU 5 1HB LEU 5 9.516 -1.476 -4.032
40 HB3 LEU 5 2HB LEU 5 10.190 -1.731 -2.461
41 HG LEU 5 HG LEU 5 8.543 -3.876 -2.460
42 HD11 LEU 5 1HD1 LEU 5 9.236 -3.603 -5.468
43 HD12 LEU 5 2HD1 LEU 5 7.605 -3.390 -4.813
44 HD13 LEU 5 3HD1 LEU 5 8.395 -4.972 -4.680
45 HD21 LEU 5 1HD2 LEU 5 10.957 -3.865 -2.122
46 HD22 LEU 5 2HD2 LEU 5 10.537 -5.200 -3.222
47 HD23 LEU 5 3HD2 LEU 5 11.271 -3.683 -3.863
48 H LYS 6 H LYS 6 6.727 -3.330 -2.479
49 HA LYS 6 HA LYS 6 4.447 -2.299 -4.018
50 HB2 LYS 6 1HB LYS 6 5.575 -4.674 -4.207
51 HB3 LYS 6 2HB LYS 6 4.762 -5.106 -2.732
52 HG2 LYS 6 2HG LYS 6 3.430 -4.243 -5.391
53 HG3 LYS 6 1HG LYS 6 3.704 -5.897 -4.898
54 HD2 LYS 6 2HD LYS 6 1.732 -3.929 -3.601
55 HD3 LYS 6 1HD LYS 6 1.356 -5.277 -4.649
56 HE2 LYS 6 1HE LYS 6 2.250 -6.911 -2.914
57 HE3 LYS 6 2HE LYS 6 2.605 -5.556 -1.832
58 HZ2 LYS 6 1HZ LYS 6 0.270 -4.990 -1.820
59 HZ3 LYS 6 2HZ LYS 6 0.500 -6.526 -1.309
60 H GLU 7 H GLU 7 5.055 -3.303 -0.656
61 HA GLU 7 HA GLU 7 2.296 -2.932 0.275
62 HB2 GLU 7 1HB GLU 7 4.897 -2.764 1.937
63 HB3 GLU 7 2HB GLU 7 3.301 -2.723 2.645
64 HG2 GLU 7 2HG GLU 7 4.445 -5.111 1.055
65 HG3 GLU 7 1HG GLU 7 4.438 -4.955 2.800
66 HE2 GLU 7 HE2 GLU 7 2.747 -5.758 0.113
67 H ASN 8 H ASN 8 4.953 -0.488 0.056
68 HA ASN 8 HA ASN 8 3.302 1.591 1.276
69 HB2 ASN 8 2HB ASN 8 5.804 1.874 0.784
70 HB3 ASN 8 1HB ASN 8 5.404 2.004 -0.959
71 HD21 ASN 8 1HD2 ASN 8 5.250 4.117 -1.613
72 HD22 ASN 8 2HD2 ASN 8 4.944 5.557 -0.518
73 H VAL 9 H VAL 9 3.752 0.745 -2.192
74 HA VAL 9 HA VAL 9 1.803 2.541 -3.239
75 HB VAL 9 HB VAL 9 3.892 0.831 -4.113
76 HG11 VAL 9 1HG2 VAL 9 3.073 -0.489 -6.021
77 HG12 VAL 9 2HG2 VAL 9 1.377 -0.067 -5.678
78 HG13 VAL 9 3HG2 VAL 9 2.286 -1.103 -4.557
79 HG21 VAL 9 1HG1 VAL 9 3.452 3.076 -4.882
80 HG22 VAL 9 2HG1 VAL 9 2.029 2.532 -5.816
81 HG23 VAL 9 3HG1 VAL 9 3.675 1.954 -6.240
82 H ASP 10 H ASP 10 0.985 0.045 -1.205
83 HA ASP 10 HA ASP 10 -1.544 -0.784 -2.428
84 HB2 ASP 10 1HB ASP 10 0.260 -2.653 -1.736
85 HB3 ASP 10 2HB ASP 10 -0.210 -2.172 -0.121
86 HD2 ASP 10 HD2 ASP 10 -1.363 -3.306 -3.100
87 H TYR 11 H TYR 11 0.317 0.535 0.282
88 HA TYR 11 HA TYR 11 -1.819 1.008 2.203
89 HB2 TYR 11 1HB TYR 11 0.797 0.925 2.606
90 HB3 TYR 11 2HB TYR 11 0.756 2.554 2.072
91 HD1 TYR 11 HD2 TYR 11 -0.746 0.245 4.623
92 HD2 TYR 11 HD1 TYR 11 -0.085 4.347 3.554
93 HE1 TYR 11 HE2 TYR 11 -1.417 0.945 6.893
94 HE2 TYR 11 HE1 TYR 11 -0.752 5.047 5.825
95 HH TYR 11 HH TYR 11 -1.460 4.388 7.825
96 H ILE 12 H ILE 12 -0.525 3.045 -0.376
97 HA ILE 12 HA ILE 12 -1.927 5.508 0.441
98 HB ILE 12 HB ILE 12 -0.080 4.897 -1.808
99 HG12 ILE 12 2HG1 ILE 12 0.999 7.109 -1.058
100 HG13 ILE 12 1HG1 ILE 12 -0.170 7.197 0.246
101 HG21 ILE 12 1HG2 ILE 12 -1.866 6.086 -3.040
102 HG22 ILE 12 2HG2 ILE 12 -0.448 7.129 -2.897
103 HG23 ILE 12 3HG2 ILE 12 -1.861 7.406 -1.844
104 HD11 ILE 12 1HD1 ILE 12 0.851 5.099 1.265
105 HD12 ILE 12 2HD1 ILE 12 2.061 6.369 1.001
106 HD13 ILE 12 3HD1 ILE 12 1.975 4.997 -0.121
107 H GLN 13 H GLN 13 -2.213 3.141 -2.220
108 HA GLN 13 HA GLN 13 -4.817 3.851 -3.091
109 HB2 GLN 13 1HB GLN 13 -3.650 1.080 -3.219
110 HB3 GLN 13 2HB GLN 13 -5.050 1.651 -4.046
111 HG2 GLN 13 1HG GLN 13 -3.708 3.380 -5.304
112 HG3 GLN 13 2HG GLN 13 -2.245 2.776 -4.551
113 HE21 GLN 13 1HE2 GLN 13 -4.595 2.197 -7.030
114 HE22 GLN 13 2HE2 GLN 13 -3.786 0.705 -7.728
115 H LYS 14 H LYS 14 -3.890 1.787 -0.301
116 HA LYS 14 HA LYS 14 -6.596 0.843 0.242
117 HB2 LYS 14 2HB LYS 14 -4.567 -0.300 1.097
118 HB3 LYS 14 1HB LYS 14 -4.245 1.053 2.198
119 HG2 LYS 14 2HG LYS 14 -6.422 0.506 3.399
120 HG3 LYS 14 1HG LYS 14 -6.737 -0.763 2.220
121 HD2 LYS 14 1HD LYS 14 -5.905 -1.839 4.188
122 HD3 LYS 14 2HD LYS 14 -4.652 -1.989 2.963
123 HE2 LYS 14 2HE LYS 14 -3.370 -0.066 4.058
124 HE3 LYS 14 1HE LYS 14 -4.654 0.101 5.262
125 HZ2 LYS 14 1HZ LYS 14 -2.856 -1.213 6.102
126 HZ3 LYS 14 2HZ LYS 14 -4.196 -2.144 6.004
127 H ASN 15 H ASN 15 -4.942 3.810 1.272
128 HA ASN 15 HA ASN 15 -6.752 4.700 3.314
129 HB2 ASN 15 1HB ASN 15 -4.390 5.642 2.637
130 HB3 ASN 15 2HB ASN 15 -5.327 6.561 1.433
131 HD21 ASN 15 1HD2 ASN 15 -4.485 8.442 2.456
132 HD22 ASN 15 2HD2 ASN 15 -5.206 9.065 4.026
133 H GLN 16 H GLN 16 -6.598 5.654 -0.052
134 HA GLN 16 HA GLN 16 -9.069 7.171 -0.070
135 HB2 GLN 16 2HB GLN 16 -8.297 7.940 -2.133
136 HB3 GLN 16 1HB GLN 16 -6.868 7.699 -1.176
137 HG2 GLN 16 1HG GLN 16 -6.501 5.436 -2.399
138 HG3 GLN 16 2HG GLN 16 -7.841 5.850 -3.453
139 HE21 GLN 16 2HE2 GLN 16 -4.498 6.399 -2.816
140 HE22 GLN 16 1HE2 GLN 16 -4.221 7.564 -4.206
141 H ASN 17 H ASN 17 -8.280 4.001 -1.443
142 HA ASN 17 HA ASN 17 -10.986 3.695 -2.629
143 HB2 ASN 17 1HB ASN 17 -8.676 1.684 -2.676
144 HB3 ASN 17 2HB ASN 17 -10.202 1.473 -3.492
145 HD21 ASN 17 2HD2 ASN 17 -7.117 2.378 -4.087
146 HD22 ASN 17 1HD2 ASN 17 -7.417 3.383 -5.592
147 H LEU 18 H LEU 18 -9.652 2.758 0.448
148 HA LEU 18 HA LEU 18 -9.943 1.007 1.968
149 HB2 LEU 18 1HB LEU 18 -12.625 2.310 1.390
150 HB3 LEU 18 2HB LEU 18 -12.212 1.517 2.888
151 HG LEU 18 HG LEU 18 -10.290 3.712 1.905
152 HD11 LEU 18 1HD1 LEU 18 -12.957 4.391 3.183
153 HD12 LEU 18 2HD1 LEU 18 -12.428 4.731 1.505
154 HD13 LEU 18 3HD1 LEU 18 -11.579 5.502 2.860
155 HD21 LEU 18 1HD2 LEU 18 -9.914 4.122 4.268
156 HD22 LEU 18 2HD2 LEU 18 -9.668 2.405 3.900
157 HD23 LEU 18 3HD2 LEU 18 -11.164 2.923 4.727
158 H PHE 19 H PHE 19 -9.599 -0.601 -0.174
159 HA PHE 19 HA PHE 19 -11.725 -2.524 -0.413
160 HB2 PHE 19 1HB PHE 19 -9.918 -3.799 -1.708
161 HB3 PHE 19 2HB PHE 19 -10.368 -2.217 -2.288
162 HD1 PHE 19 HD2 PHE 19 -7.697 -3.844 -0.081
163 HD2 PHE 19 HD1 PHE 19 -8.626 -0.681 -2.847
164 HE1 PHE 19 HE2 PHE 19 -5.321 -3.214 -0.174
165 HE2 PHE 19 HE1 PHE 19 -6.250 -0.079 -2.939
166 HZ PHE 19 HZ PHE 19 -4.589 -1.338 -1.608
167 H LYS 20 H LYS 20 -10.850 -5.078 -0.171
168 HA LYS 20 HA LYS 20 -10.732 -5.520 2.709
169 HB2 LYS 20 1HB LYS 20 -12.212 -6.780 1.217
170 HB3 LYS 20 2HB LYS 20 -10.782 -7.532 0.504
171 HG2 LYS 20 2HG LYS 20 -10.195 -8.488 2.790
172 HG3 LYS 20 1HG LYS 20 -11.652 -7.776 3.460
173 HD2 LYS 20 2HD LYS 20 -11.605 -9.898 1.195
174 HD3 LYS 20 1HD LYS 20 -11.722 -10.251 2.901
175 HE2 LYS 20 2HE LYS 20 -13.947 -10.433 2.202
176 HE3 LYS 20 1HE LYS 20 -13.911 -8.871 3.011
177 HZ2 LYS 20 1HZ LYS 20 -15.105 -8.818 0.920
178 HZ3 LYS 20 2HZ LYS 20 -13.806 -9.341 0.077
Start of MODEL 8
1 H1 LYS 1 H LYS 1 17.279 -2.361 -0.838
2 HA LYS 1 HA LYS 1 15.229 -2.054 -2.838
3 HB2 LYS 1 2HB LYS 1 14.043 -4.219 -2.435
4 HB3 LYS 1 1HB LYS 1 15.392 -4.327 -3.527
5 HG2 LYS 1 2HG LYS 1 15.763 -5.139 -0.580
6 HG3 LYS 1 1HG LYS 1 14.913 -6.194 -1.695
7 HD2 LYS 1 2HD LYS 1 16.956 -6.215 -3.230
8 HD3 LYS 1 1HD LYS 1 17.801 -5.201 -2.077
9 HE2 LYS 1 2HE LYS 1 18.570 -7.424 -1.663
10 HE3 LYS 1 1HE LYS 1 17.548 -7.007 -0.290
11 HZ2 LYS 1 1HZ LYS 1 17.088 -9.213 -1.074
12 HZ3 LYS 1 2HZ LYS 1 15.759 -8.288 -1.303
13 H MET 2 H MET 2 14.930 -0.375 -1.453
14 HA MET 2 HA MET 2 13.514 -0.931 1.061
15 HB2 MET 2 2HB MET 2 15.024 0.114 2.621
16 HB3 MET 2 1HB MET 2 15.967 -1.046 1.720
17 HG2 MET 2 1HG MET 2 16.933 0.830 0.302
18 HG3 MET 2 2HG MET 2 16.060 2.007 1.305
19 HE1 MET 2 1HE MET 2 19.780 2.326 2.622
20 HE2 MET 2 2HE MET 2 19.251 2.034 0.939
21 HE3 MET 2 3HE MET 2 18.369 3.207 1.966
22 H ASN 3 H ASN 3 12.212 -0.203 -0.760
23 HA ASN 3 HA ASN 3 11.296 2.520 -0.214
24 HB2 ASN 3 2HB ASN 3 11.988 1.760 -3.148
25 HB3 ASN 3 1HB ASN 3 10.924 3.080 -2.726
26 HD21 ASN 3 1HD2 ASN 3 14.160 2.285 -3.284
27 HD22 ASN 3 2HD2 ASN 3 14.878 3.873 -2.712
28 H MET 4 H MET 4 10.577 -0.105 -2.648
29 HA MET 4 HA MET 4 7.793 -0.003 -1.966
30 HB2 MET 4 1HB MET 4 9.102 -2.466 -3.257
31 HB3 MET 4 2HB MET 4 7.454 -1.894 -3.443
32 HG2 MET 4 2HG MET 4 8.501 0.231 -4.618
33 HG3 MET 4 1HG MET 4 9.998 -0.690 -4.643
34 HE1 MET 4 1HE MET 4 10.060 -0.580 -7.332
35 HE2 MET 4 2HE MET 4 8.534 0.358 -7.317
36 HE3 MET 4 3HE MET 4 8.692 -1.079 -8.370
37 H LEU 5 H LEU 5 9.465 -0.567 0.376
38 HA LEU 5 HA LEU 5 8.553 -3.189 1.462
39 HB2 LEU 5 2HB LEU 5 10.400 -1.016 2.584
40 HB3 LEU 5 1HB LEU 5 9.947 -2.463 3.475
41 HG LEU 5 HG LEU 5 11.588 -2.316 0.883
42 HD11 LEU 5 1HD1 LEU 5 12.268 -3.110 3.777
43 HD12 LEU 5 2HD1 LEU 5 13.412 -3.044 2.396
44 HD13 LEU 5 3HD1 LEU 5 12.652 -1.550 3.003
45 HD21 LEU 5 1HD2 LEU 5 10.763 -4.865 2.427
46 HD22 LEU 5 2HD2 LEU 5 12.013 -4.787 1.152
47 HD23 LEU 5 3HD2 LEU 5 10.322 -4.446 0.751
48 H LYS 6 H LYS 6 8.675 -0.015 3.036
49 HA LYS 6 HA LYS 6 6.004 -0.282 4.141
50 HB2 LYS 6 2HB LYS 6 7.946 0.997 5.222
51 HB3 LYS 6 1HB LYS 6 7.745 2.271 4.025
52 HG2 LYS 6 1HG LYS 6 5.401 2.701 4.897
53 HG3 LYS 6 2HG LYS 6 5.585 1.378 6.051
54 HD2 LYS 6 2HD LYS 6 7.533 2.613 7.140
55 HD3 LYS 6 1HD LYS 6 7.359 3.901 5.959
56 HE2 LYS 6 2HE LYS 6 6.304 4.690 7.964
57 HE3 LYS 6 1HE LYS 6 5.002 4.377 6.820
58 HZ2 LYS 6 1HZ LYS 6 5.844 2.601 9.050
59 HZ3 LYS 6 2HZ LYS 6 4.514 3.550 9.028
60 H GLU 7 H GLU 7 7.175 1.322 1.211
61 HA GLU 7 HA GLU 7 4.638 2.754 0.665
62 HB2 GLU 7 1HB GLU 7 6.854 2.008 -1.358
63 HB3 GLU 7 2HB GLU 7 5.458 2.999 -1.735
64 HG2 GLU 7 1HG GLU 7 6.153 4.747 -0.088
65 HG3 GLU 7 2HG GLU 7 7.544 3.784 0.398
66 HE2 GLU 7 HE2 GLU 7 9.555 4.862 -2.133
67 H ASN 8 H ASN 8 5.797 -0.525 -0.391
68 HA ASN 8 HA ASN 8 3.360 -1.000 -1.931
69 HB2 ASN 8 2HB ASN 8 5.399 -2.563 -1.953
70 HB3 ASN 8 1HB ASN 8 4.929 -3.126 -0.312
71 HD21 ASN 8 2HD2 ASN 8 3.691 -4.974 -0.375
72 HD22 ASN 8 1HD2 ASN 8 2.804 -5.611 -1.849
73 H VAL 9 H VAL 9 4.056 -1.789 1.511
74 HA VAL 9 HA VAL 9 1.457 -2.735 2.172
75 HB VAL 9 HB VAL 9 4.067 -2.613 3.252
76 HG11 VAL 9 1HG1 VAL 9 3.589 -0.438 4.500
77 HG12 VAL 9 2HG1 VAL 9 3.933 -1.805 5.574
78 HG13 VAL 9 3HG1 VAL 9 2.257 -1.241 5.357
79 HG21 VAL 9 1HG2 VAL 9 3.258 -4.155 4.927
80 HG22 VAL 9 2HG2 VAL 9 1.554 -3.712 4.572
81 HG23 VAL 9 3HG2 VAL 9 2.568 -4.498 3.327
82 H ASP 10 H ASP 10 2.001 0.413 1.237
83 HA ASP 10 HA ASP 10 0.130 1.797 3.024
84 HB2 ASP 10 1HB ASP 10 2.585 2.786 2.679
85 HB3 ASP 10 2HB ASP 10 1.988 3.130 1.072
86 HD2 ASP 10 HD2 ASP 10 0.001 5.796 1.960
87 H TYR 11 H TYR 11 1.218 0.908 -0.228
88 HA TYR 11 HA TYR 11 -0.930 2.053 -1.819
89 HB2 TYR 11 1HB TYR 11 1.503 1.181 -2.562
90 HB3 TYR 11 2HB TYR 11 0.701 -0.325 -2.675
91 HD1 TYR 11 HD1 TYR 11 0.520 3.209 -3.898
92 HD2 TYR 11 HD2 TYR 11 -0.940 -0.777 -4.497
93 HE1 TYR 11 HE1 TYR 11 -0.388 3.874 -6.098
94 HE2 TYR 11 HE2 TYR 11 -1.850 -0.115 -6.695
95 HH TYR 11 HH TYR 11 -2.136 1.539 -8.151
96 H ILE 12 H ILE 12 -0.591 -1.139 -0.352
97 HA ILE 12 HA ILE 12 -2.921 -2.340 -1.703
98 HB ILE 12 HB ILE 12 -0.888 -3.407 0.178
99 HG12 ILE 12 2HG1 ILE 12 -0.877 -5.371 -1.424
100 HG13 ILE 12 1HG1 ILE 12 -2.148 -4.612 -2.366
101 HG21 ILE 12 1HG2 ILE 12 -2.908 -4.191 1.362
102 HG22 ILE 12 2HG2 ILE 12 -3.585 -4.850 -0.148
103 HG23 ILE 12 3HG2 ILE 12 -2.118 -5.559 0.576
104 HD11 ILE 12 1HD1 ILE 12 0.119 -4.370 -3.402
105 HD12 ILE 12 2HD1 ILE 12 0.702 -3.478 -1.981
106 HD13 ILE 12 3HD1 ILE 12 -0.554 -2.769 -3.033
107 H GLN 13 H GLN 13 -2.130 -1.362 1.641
108 HA GLN 13 HA GLN 13 -4.768 -1.289 2.663
109 HB2 GLN 13 1HB GLN 13 -2.508 0.487 3.555
110 HB3 GLN 13 2HB GLN 13 -4.023 0.295 4.349
111 HG2 GLN 13 1HG GLN 13 -3.658 -2.134 4.751
112 HG3 GLN 13 2HG GLN 13 -2.117 -2.065 3.914
113 HE21 GLN 13 1HE2 GLN 13 -0.594 -2.298 5.494
114 HE22 GLN 13 2HE2 GLN 13 -0.575 -1.392 7.090
115 H LYS 14 H LYS 14 -3.156 1.179 0.621
116 HA LYS 14 HA LYS 14 -5.241 3.200 0.979
117 HB2 LYS 14 1HB LYS 14 -2.998 3.840 0.261
118 HB3 LYS 14 2HB LYS 14 -3.153 2.906 -1.239
119 HG2 LYS 14 2HG LYS 14 -4.989 4.502 -1.981
120 HG3 LYS 14 1HG LYS 14 -4.838 5.363 -0.455
121 HD2 LYS 14 1HD LYS 14 -3.664 6.643 -2.105
122 HD3 LYS 14 2HD LYS 14 -2.446 5.972 -1.027
123 HE2 LYS 14 1HE LYS 14 -1.910 4.174 -2.754
124 HE3 LYS 14 2HE LYS 14 -3.180 4.804 -3.811
125 HZ2 LYS 14 1HZ LYS 14 -0.760 6.275 -2.925
126 HZ3 LYS 14 2HZ LYS 14 -1.002 5.624 -4.404
127 H ASN 15 H ASN 15 -4.749 0.709 -1.523
128 HA ASN 15 HA ASN 15 -6.808 1.341 -3.400
129 HB2 ASN 15 2HB ASN 15 -4.869 -0.438 -3.538
130 HB3 ASN 15 1HB ASN 15 -6.032 -1.473 -2.682
131 HD21 ASN 15 1HD2 ASN 15 -5.984 -2.878 -4.440
132 HD22 ASN 15 2HD2 ASN 15 -6.835 -2.512 -6.027
133 H GLN 16 H GLN 16 -6.895 -1.017 -0.830
134 HA GLN 16 HA GLN 16 -9.670 -1.738 -1.052
135 HB2 GLN 16 2HB GLN 16 -9.161 -3.381 0.459
136 HB3 GLN 16 1HB GLN 16 -7.642 -3.117 -0.341
137 HG2 GLN 16 2HG GLN 16 -6.854 -1.699 1.648
138 HG3 GLN 16 1HG GLN 16 -8.363 -2.044 2.472
139 HE21 GLN 16 1HE2 GLN 16 -5.245 -3.308 1.697
140 HE22 GLN 16 2HE2 GLN 16 -5.462 -4.907 2.571
141 H ASN 17 H ASN 17 -8.186 0.723 0.975
142 HA ASN 17 HA ASN 17 -10.467 1.072 2.743
143 HB2 ASN 17 1HB ASN 17 -8.148 1.666 3.414
144 HB3 ASN 17 2HB ASN 17 -8.096 2.962 2.241
145 HD21 ASN 17 2HD2 ASN 17 -8.880 4.951 2.945
146 HD22 ASN 17 1HD2 ASN 17 -9.691 5.210 4.570
147 H LEU 18 H LEU 18 -9.539 2.878 -0.263
148 HA LEU 18 HA LEU 18 -11.564 4.754 -0.301
149 HB2 LEU 18 2HB LEU 18 -10.361 3.288 -2.692
150 HB3 LEU 18 1HB LEU 18 -11.190 4.828 -2.787
151 HG LEU 18 HG LEU 18 -8.745 4.448 -0.968
152 HD11 LEU 18 1HD2 LEU 18 -7.284 5.304 -2.758
153 HD12 LEU 18 2HD2 LEU 18 -8.657 5.310 -3.910
154 HD13 LEU 18 3HD2 LEU 18 -8.046 3.773 -3.232
155 HD21 LEU 18 1HD1 LEU 18 -9.969 6.986 -2.111
156 HD22 LEU 18 2HD1 LEU 18 -8.469 6.867 -1.126
157 HD23 LEU 18 3HD1 LEU 18 -10.027 6.408 -0.419
158 H PHE 19 H PHE 19 -11.853 1.765 -2.247
159 HA PHE 19 HA PHE 19 -14.745 1.983 -2.414
160 HB2 PHE 19 2HB PHE 19 -14.541 -0.064 -3.826
161 HB3 PHE 19 1HB PHE 19 -13.607 1.308 -4.355
162 HD1 PHE 19 HD2 PHE 19 -13.095 -1.868 -2.241
163 HD2 PHE 19 HD1 PHE 19 -11.443 0.821 -5.173
164 HE1 PHE 19 HE2 PHE 19 -11.224 -3.409 -2.615
165 HE2 PHE 19 HE1 PHE 19 -9.599 -0.753 -5.554
166 HZ PHE 19 HZ PHE 19 -9.473 -2.862 -4.271
167 H LYS 20 H LYS 20 -15.934 -0.456 -2.207
168 HA LYS 20 HA LYS 20 -16.130 -0.888 0.668
169 HB2 LYS 20 1HB LYS 20 -18.075 -0.754 -0.834
170 HB3 LYS 20 2HB LYS 20 -17.553 -2.274 -1.567
171 HG2 LYS 20 1HG LYS 20 -17.858 -3.436 0.673
172 HG3 LYS 20 2HG LYS 20 -18.347 -1.898 1.390
173 HD2 LYS 20 1HD LYS 20 -20.308 -1.783 -0.223
174 HD3 LYS 20 2HD LYS 20 -19.812 -3.328 -0.925
175 HE2 LYS 20 2HE LYS 20 -20.139 -4.457 1.335
176 HE3 LYS 20 1HE LYS 20 -20.641 -2.909 2.032
177 HZ2 LYS 20 1HZ LYS 20 -22.532 -4.207 1.397
178 HZ3 LYS 20 2HZ LYS 20 -22.485 -2.852 0.483
Start of MODEL 9
1 H1 LYS 1 H LYS 1 17.293 -2.388 -1.863
2 HA LYS 1 HA LYS 1 15.072 -1.406 -3.406
3 HB2 LYS 1 1HB LYS 1 13.768 -3.642 -3.455
4 HB3 LYS 1 2HB LYS 1 14.884 -3.251 -4.734
5 HG2 LYS 1 2HG LYS 1 15.152 -5.548 -4.424
6 HG3 LYS 1 1HG LYS 1 16.611 -4.808 -3.819
7 HD2 LYS 1 1HD LYS 1 16.041 -6.661 -2.409
8 HD3 LYS 1 2HD LYS 1 15.879 -5.202 -1.457
9 HE2 LYS 1 2HE LYS 1 13.324 -5.307 -1.807
10 HE3 LYS 1 1HE LYS 1 13.539 -6.781 -2.762
11 HZ2 LYS 1 1HZ LYS 1 14.490 -7.850 -0.825
12 HZ3 LYS 1 2HZ LYS 1 12.988 -7.292 -0.502
13 H MET 2 H MET 2 15.041 -0.185 -1.578
14 HA MET 2 HA MET 2 13.861 -1.372 0.814
15 HB2 MET 2 1HB MET 2 15.624 -0.974 2.427
16 HB3 MET 2 2HB MET 2 16.312 -1.903 1.119
17 HG2 MET 2 1HG MET 2 17.385 0.209 0.183
18 HG3 MET 2 2HG MET 2 16.804 1.098 1.607
19 HE1 MET 2 1HE MET 2 20.659 0.557 2.374
20 HE2 MET 2 2HE MET 2 19.919 0.842 0.771
21 HE3 MET 2 3HE MET 2 19.347 1.760 2.200
22 H ASN 3 H ASN 3 12.462 0.037 -0.440
23 HA ASN 3 HA ASN 3 11.923 2.472 1.060
24 HB2 ASN 3 1HB ASN 3 13.485 3.388 -0.783
25 HB3 ASN 3 2HB ASN 3 12.402 2.768 -2.008
26 HD21 ASN 3 2HD2 ASN 3 10.868 4.209 -2.714
27 HD22 ASN 3 1HD2 ASN 3 10.434 5.776 -1.864
28 H MET 4 H MET 4 10.811 0.882 -2.032
29 HA MET 4 HA MET 4 8.064 1.071 -1.205
30 HB2 MET 4 1HB MET 4 9.088 -0.991 -3.232
31 HB3 MET 4 2HB MET 4 7.505 -0.239 -3.148
32 HG2 MET 4 2HG MET 4 8.748 2.036 -3.681
33 HG3 MET 4 1HG MET 4 10.137 1.044 -4.065
34 HE1 MET 4 1HE MET 4 10.501 -0.135 -6.342
35 HE2 MET 4 2HE MET 4 9.177 -0.831 -7.323
36 HE3 MET 4 3HE MET 4 9.483 -1.449 -5.673
37 H LEU 5 H LEU 5 9.381 -0.114 0.996
38 HA LEU 5 HA LEU 5 8.783 -3.016 1.123
39 HB2 LEU 5 1HB LEU 5 10.169 -3.401 2.886
40 HB3 LEU 5 2HB LEU 5 10.986 -2.569 1.611
41 HG LEU 5 HG LEU 5 10.325 -0.385 3.092
42 HD11 LEU 5 1HD2 LEU 5 10.738 -2.565 5.252
43 HD12 LEU 5 2HD2 LEU 5 9.182 -1.780 4.929
44 HD13 LEU 5 3HD2 LEU 5 10.541 -0.805 5.523
45 HD21 LEU 5 1HD1 LEU 5 12.649 -0.533 4.030
46 HD22 LEU 5 2HD1 LEU 5 12.702 -2.271 3.549
47 HD23 LEU 5 3HD1 LEU 5 12.532 -0.997 2.316
48 H LYS 6 H LYS 6 8.497 -0.161 3.170
49 HA LYS 6 HA LYS 6 5.902 -0.947 4.289
50 HB2 LYS 6 2HB LYS 6 7.845 0.227 5.578
51 HB3 LYS 6 1HB LYS 6 7.503 1.686 4.667
52 HG2 LYS 6 1HG LYS 6 5.155 1.733 5.665
53 HG3 LYS 6 2HG LYS 6 5.503 0.240 6.541
54 HD2 LYS 6 1HD LYS 6 7.387 1.407 7.775
55 HD3 LYS 6 2HD LYS 6 7.035 2.899 6.896
56 HE2 LYS 6 1HE LYS 6 4.697 2.941 7.901
57 HE3 LYS 6 2HE LYS 6 5.048 1.446 8.780
58 HZ2 LYS 6 1HZ LYS 6 6.544 3.992 9.085
59 HZ3 LYS 6 2HZ LYS 6 6.870 2.611 9.896
60 H GLU 7 H GLU 7 7.054 1.417 1.911
61 HA GLU 7 HA GLU 7 4.447 2.757 1.543
62 HB2 GLU 7 2HB GLU 7 6.909 2.660 -0.327
63 HB3 GLU 7 1HB GLU 7 5.461 3.579 -0.704
64 HG2 GLU 7 2HG GLU 7 5.732 5.011 1.312
65 HG3 GLU 7 1HG GLU 7 7.104 4.057 1.862
66 HE2 GLU 7 HE2 GLU 7 5.967 5.794 -0.875
67 H ASN 8 H ASN 8 5.860 -0.119 -0.137
68 HA ASN 8 HA ASN 8 3.570 -0.336 -1.942
69 HB2 ASN 8 2HB ASN 8 5.732 -1.727 -2.175
70 HB3 ASN 8 1HB ASN 8 5.196 -2.690 -0.761
71 HD21 ASN 8 1HD2 ASN 8 4.441 -1.827 -4.157
72 HD22 ASN 8 2HD2 ASN 8 3.527 -3.378 -4.512
73 H VAL 9 H VAL 9 4.137 -1.873 1.266
74 HA VAL 9 HA VAL 9 1.578 -3.102 1.501
75 HB VAL 9 HB VAL 9 4.117 -3.101 2.753
76 HG11 VAL 9 1HG1 VAL 9 3.799 -2.912 5.186
77 HG12 VAL 9 2HG1 VAL 9 2.101 -2.407 4.997
78 HG13 VAL 9 3HG1 VAL 9 3.416 -1.341 4.461
79 HG21 VAL 9 1HG2 VAL 9 3.340 -5.060 3.931
80 HG22 VAL 9 2HG2 VAL 9 2.758 -5.029 2.254
81 HG23 VAL 9 3HG2 VAL 9 1.627 -4.642 3.583
82 H ASP 10 H ASP 10 1.962 0.198 1.379
83 HA ASP 10 HA ASP 10 -0.084 1.016 3.317
84 HB2 ASP 10 2HB ASP 10 2.328 2.166 3.388
85 HB3 ASP 10 1HB ASP 10 1.793 2.874 1.881
86 HD2 ASP 10 HD2 ASP 10 0.200 4.246 1.851
87 H TYR 11 H TYR 11 1.212 0.947 0.022
88 HA TYR 11 HA TYR 11 -0.894 2.382 -1.388
89 HB2 TYR 11 2HB TYR 11 1.600 1.813 -2.164
90 HB3 TYR 11 1HB TYR 11 0.902 0.326 -2.653
91 HD1 TYR 11 HD2 TYR 11 0.555 4.030 -3.078
92 HD2 TYR 11 HD1 TYR 11 -0.576 0.204 -4.645
93 HE1 TYR 11 HE2 TYR 11 -0.239 5.116 -5.152
94 HE2 TYR 11 HE1 TYR 11 -1.370 1.286 -6.719
95 HH TYR 11 HH TYR 11 -1.649 3.202 -7.810
96 H ILE 12 H ILE 12 -0.487 -1.058 -0.688
97 HA ILE 12 HA ILE 12 -2.708 -1.968 -2.403
98 HB ILE 12 HB ILE 12 -0.757 -3.423 -0.697
99 HG12 ILE 12 2HG1 ILE 12 -0.588 -4.936 -2.747
100 HG13 ILE 12 1HG1 ILE 12 -1.759 -3.923 -3.571
101 HG21 ILE 12 1HG2 ILE 12 -1.945 -5.623 -0.959
102 HG22 ILE 12 2HG2 ILE 12 -3.370 -4.770 -1.608
103 HG23 ILE 12 3HG2 ILE 12 -2.843 -4.506 0.072
104 HD11 ILE 12 1HD1 ILE 12 1.042 -3.021 -2.621
105 HD12 ILE 12 2HD1 ILE 12 0.597 -3.471 -4.280
106 HD13 ILE 12 3HD1 ILE 12 -0.098 -2.009 -3.552
107 H GLN 13 H GLN 13 -2.091 -1.772 1.113
108 HA GLN 13 HA GLN 13 -4.770 -2.025 1.993
109 HB2 GLN 13 1HB GLN 13 -2.620 -0.452 3.392
110 HB3 GLN 13 2HB GLN 13 -4.159 -0.868 4.039
111 HG2 GLN 13 2HG GLN 13 -3.720 -3.314 3.860
112 HG3 GLN 13 1HG GLN 13 -2.145 -3.001 3.153
113 HE21 GLN 13 2HE2 GLN 13 -0.696 -3.580 4.716
114 HE22 GLN 13 1HE2 GLN 13 -0.793 -3.096 6.483
115 H LYS 14 H LYS 14 -3.188 0.894 0.644
116 HA LYS 14 HA LYS 14 -5.358 2.716 1.362
117 HB2 LYS 14 1HB LYS 14 -3.123 3.572 0.883
118 HB3 LYS 14 2HB LYS 14 -3.200 2.992 -0.791
119 HG2 LYS 14 2HG LYS 14 -5.083 4.657 -1.217
120 HG3 LYS 14 1HG LYS 14 -4.989 5.161 0.466
121 HD2 LYS 14 2HD LYS 14 -3.821 6.809 -0.816
122 HD3 LYS 14 1HD LYS 14 -2.601 5.937 0.103
123 HE2 LYS 14 1HE LYS 14 -2.005 4.590 -1.986
124 HE3 LYS 14 2HE LYS 14 -3.264 5.440 -2.892
125 HZ2 LYS 14 1HZ LYS 14 -1.082 6.396 -3.220
126 HZ3 LYS 14 2HZ LYS 14 -0.888 6.687 -1.624
127 H ASN 15 H ASN 15 -4.693 0.885 -1.626
128 HA ASN 15 HA ASN 15 -6.732 1.840 -3.383
129 HB2 ASN 15 2HB ASN 15 -4.724 0.221 -3.860
130 HB3 ASN 15 1HB ASN 15 -5.840 -1.029 -3.263
131 HD21 ASN 15 1HD2 ASN 15 -5.684 -2.024 -5.283
132 HD22 ASN 15 2HD2 ASN 15 -6.554 -1.381 -6.769
133 H GLN 16 H GLN 16 -6.782 -1.024 -1.403
134 HA GLN 16 HA GLN 16 -9.502 -1.819 -1.872
135 HB2 GLN 16 2HB GLN 16 -8.924 -3.711 -0.682
136 HB3 GLN 16 1HB GLN 16 -7.424 -3.204 -1.395
137 HG2 GLN 16 2HG GLN 16 -6.777 -2.117 0.854
138 HG3 GLN 16 1HG GLN 16 -8.222 -2.800 1.572
139 HE21 GLN 16 1HE2 GLN 16 -8.236 -5.044 2.033
140 HE22 GLN 16 2HE2 GLN 16 -6.735 -6.085 1.858
141 H ASN 17 H ASN 17 -8.204 0.211 0.695
142 HA ASN 17 HA ASN 17 -10.555 0.098 2.399
143 HB2 ASN 17 1HB ASN 17 -8.288 0.636 3.270
144 HB3 ASN 17 2HB ASN 17 -8.265 2.149 2.393
145 HD21 ASN 17 1HD2 ASN 17 -9.140 3.911 3.475
146 HD22 ASN 17 2HD2 ASN 17 -10.021 3.794 5.080
147 H LEU 18 H LEU 18 -9.624 2.512 -0.139
148 HA LEU 18 HA LEU 18 -11.699 4.304 0.107
149 HB2 LEU 18 1HB LEU 18 -10.453 3.305 -2.496
150 HB3 LEU 18 2HB LEU 18 -11.313 4.821 -2.327
151 HG LEU 18 HG LEU 18 -8.875 4.185 -0.575
152 HD11 LEU 18 1HD2 LEU 18 -8.772 5.525 -3.332
153 HD12 LEU 18 2HD2 LEU 18 -7.411 5.347 -2.179
154 HD13 LEU 18 3HD2 LEU 18 -8.142 3.907 -2.912
155 HD21 LEU 18 1HD1 LEU 18 -8.645 6.592 -0.314
156 HD22 LEU 18 2HD1 LEU 18 -10.120 6.861 -1.305
157 HD23 LEU 18 3HD1 LEU 18 -10.214 6.008 0.264
158 H PHE 19 H PHE 19 -11.904 1.678 -2.319
159 HA PHE 19 HA PHE 19 -14.819 1.800 -2.431
160 HB2 PHE 19 2HB PHE 19 -14.525 0.105 -4.228
161 HB3 PHE 19 1HB PHE 19 -13.703 1.626 -4.460
162 HD1 PHE 19 HD2 PHE 19 -12.932 -1.916 -3.177
163 HD2 PHE 19 HD1 PHE 19 -11.492 1.549 -5.295
164 HE1 PHE 19 HE2 PHE 19 -10.927 -3.150 -3.855
165 HE2 PHE 19 HE1 PHE 19 -9.508 0.281 -5.986
166 HZ PHE 19 HZ PHE 19 -9.211 -2.063 -5.262
167 H LYS 20 H LYS 20 -13.804 0.808 0.198
168 HA LYS 20 HA LYS 20 -14.448 -1.999 0.422
169 HB2 LYS 20 2HB LYS 20 -12.866 -0.801 1.875
170 HB3 LYS 20 1HB LYS 20 -14.242 0.024 2.611
171 HG2 LYS 20 1HG LYS 20 -15.135 -2.206 3.418
172 HG3 LYS 20 2HG LYS 20 -13.788 -3.027 2.626
173 HD2 LYS 20 2HD LYS 20 -12.155 -1.766 4.101
174 HD3 LYS 20 1HD LYS 20 -13.506 -0.941 4.889
175 HE2 LYS 20 1HE LYS 20 -14.405 -3.182 5.695
176 HE3 LYS 20 2HE LYS 20 -13.054 -4.008 4.904
177 HZ2 LYS 20 1HZ LYS 20 -12.647 -3.624 7.241
178 HZ3 LYS 20 2HZ LYS 20 -12.833 -2.007 7.085
Start of MODEL 10
1 H1 LYS 1 H LYS 1 17.437 -1.177 -1.138
2 HA LYS 1 HA LYS 1 15.445 0.195 -2.702
3 HB2 LYS 1 1HB LYS 1 14.469 -1.811 -3.833
4 HB3 LYS 1 2HB LYS 1 15.867 -1.146 -4.625
5 HG2 LYS 1 1HG LYS 1 16.189 -3.591 -2.781
6 HG3 LYS 1 2HG LYS 1 15.506 -3.769 -4.389
7 HD2 LYS 1 1HD LYS 1 17.581 -2.741 -5.407
8 HD3 LYS 1 2HD LYS 1 18.296 -2.600 -3.800
9 HE2 LYS 1 2HE LYS 1 18.154 -5.119 -3.502
10 HE3 LYS 1 1HE LYS 1 17.444 -5.267 -5.117
11 HZ2 LYS 1 1HZ LYS 1 20.133 -4.176 -4.496
12 HZ3 LYS 1 2HZ LYS 1 19.818 -5.654 -5.118
13 H MET 2 H MET 2 14.944 0.632 -0.604
14 HA MET 2 HA MET 2 13.472 -1.429 0.884
15 HB2 MET 2 1HB MET 2 14.817 -1.529 2.884
16 HB3 MET 2 2HB MET 2 15.894 -1.836 1.544
17 HG2 MET 2 1HG MET 2 16.753 0.555 1.683
18 HG3 MET 2 2HG MET 2 15.748 0.806 3.125
19 HE1 MET 2 1HE MET 2 19.384 0.380 4.640
20 HE2 MET 2 2HE MET 2 17.938 1.429 4.551
21 HE3 MET 2 3HE MET 2 18.952 1.171 3.096
22 H ASN 3 H ASN 3 12.193 0.235 -0.195
23 HA ASN 3 HA ASN 3 11.039 1.987 1.845
24 HB2 ASN 3 1HB ASN 3 11.874 3.255 -0.866
25 HB3 ASN 3 2HB ASN 3 10.726 3.982 0.236
26 HD21 ASN 3 1HD2 ASN 3 14.021 3.792 -0.520
27 HD22 ASN 3 2HD2 ASN 3 14.634 4.694 0.956
28 H MET 4 H MET 4 10.641 1.391 -1.741
29 HA MET 4 HA MET 4 7.828 0.984 -1.391
30 HB2 MET 4 2HB MET 4 9.394 -0.187 -3.765
31 HB3 MET 4 1HB MET 4 7.719 0.337 -3.728
32 HG2 MET 4 1HG MET 4 8.661 2.771 -3.314
33 HG3 MET 4 2HG MET 4 10.226 2.092 -3.738
34 HE1 MET 4 1HE MET 4 8.796 4.482 -5.392
35 HE2 MET 4 2HE MET 4 10.405 3.813 -5.810
36 HE3 MET 4 3HE MET 4 9.145 3.971 -7.070
37 H LEU 5 H LEU 5 9.434 -0.846 0.259
38 HA LEU 5 HA LEU 5 8.595 -3.609 -0.492
39 HB2 LEU 5 1HB LEU 5 10.337 -2.533 1.791
40 HB3 LEU 5 2HB LEU 5 9.920 -4.229 1.596
41 HG LEU 5 HG LEU 5 11.614 -2.502 -0.301
42 HD11 LEU 5 1HD2 LEU 5 13.434 -3.952 0.525
43 HD12 LEU 5 2HD2 LEU 5 12.272 -4.884 1.528
44 HD13 LEU 5 3HD2 LEU 5 12.596 -3.169 1.891
45 HD21 LEU 5 1HD1 LEU 5 10.433 -4.138 -1.752
46 HD22 LEU 5 2HD1 LEU 5 12.129 -4.617 -1.575
47 HD23 LEU 5 3HD1 LEU 5 10.861 -5.481 -0.660
48 H LYS 6 H LYS 6 8.585 -1.951 2.645
49 HA LYS 6 HA LYS 6 5.898 -2.845 3.308
50 HB2 LYS 6 1HB LYS 6 7.657 -0.723 4.705
51 HB3 LYS 6 2HB LYS 6 6.121 -1.252 5.352
52 HG2 LYS 6 2HG LYS 6 8.555 -3.098 4.929
53 HG3 LYS 6 1HG LYS 6 8.115 -2.308 6.434
54 HD2 LYS 6 1HD LYS 6 5.884 -3.566 6.439
55 HD3 LYS 6 2HD LYS 6 6.371 -4.379 4.961
56 HE2 LYS 6 1HE LYS 6 6.804 -5.932 6.726
57 HE3 LYS 6 2HE LYS 6 8.383 -5.384 6.172
58 HZ2 LYS 6 1HZ LYS 6 8.469 -3.882 8.070
59 HZ3 LYS 6 2HZ LYS 6 8.270 -5.431 8.554
60 H GLU 7 H GLU 7 7.055 0.174 1.875
61 HA GLU 7 HA GLU 7 4.448 1.565 2.178
62 HB2 GLU 7 1HB GLU 7 6.717 2.258 0.202
63 HB3 GLU 7 2HB GLU 7 5.283 3.226 0.432
64 HG2 GLU 7 1HG GLU 7 7.397 2.703 2.620
65 HG3 GLU 7 2HG GLU 7 7.297 4.131 1.611
66 HE2 GLU 7 HE2 GLU 7 4.929 3.682 4.822
67 H ASN 8 H ASN 8 5.794 -0.450 -0.522
68 HA ASN 8 HA ASN 8 3.429 -0.008 -2.172
69 HB2 ASN 8 2HB ASN 8 5.512 -1.226 -3.007
70 HB3 ASN 8 1HB ASN 8 5.051 -2.638 -1.994
71 HD21 ASN 8 2HD2 ASN 8 3.962 -4.168 -3.173
72 HD22 ASN 8 1HD2 ASN 8 3.083 -3.874 -4.756
73 H VAL 9 H VAL 9 4.065 -2.624 0.215
74 HA VAL 9 HA VAL 9 1.488 -3.821 0.115
75 HB VAL 9 HB VAL 9 4.073 -4.304 1.152
76 HG11 VAL 9 1HG1 VAL 9 3.508 -3.253 3.406
77 HG12 VAL 9 2HG1 VAL 9 3.888 -4.982 3.504
78 HG13 VAL 9 3HG1 VAL 9 2.196 -4.434 3.607
79 HG21 VAL 9 1HG2 VAL 9 1.577 -6.006 1.519
80 HG22 VAL 9 2HG2 VAL 9 3.289 -6.542 1.602
81 HG23 VAL 9 3HG2 VAL 9 2.631 -5.910 0.078
82 H ASP 10 H ASP 10 1.867 -0.690 1.138
83 HA ASP 10 HA ASP 10 -0.079 -0.639 3.324
84 HB2 ASP 10 1HB ASP 10 2.355 0.380 3.739
85 HB3 ASP 10 2HB ASP 10 1.795 1.605 2.623
86 HD2 ASP 10 HD2 ASP 10 0.179 2.870 3.143
87 H TYR 11 H TYR 11 1.185 0.579 0.240
88 HA TYR 11 HA TYR 11 -0.917 2.420 -0.517
89 HB2 TYR 11 2HB TYR 11 1.544 2.117 -1.520
90 HB3 TYR 11 1HB TYR 11 0.780 0.939 -2.509
91 HD1 TYR 11 HD1 TYR 11 0.612 4.548 -1.527
92 HD2 TYR 11 HD2 TYR 11 -0.760 1.619 -4.347
93 HE1 TYR 11 HE1 TYR 11 -0.209 6.350 -3.000
94 HE2 TYR 11 HE2 TYR 11 -1.586 3.422 -5.816
95 HH TYR 11 HH TYR 11 -1.832 5.615 -6.087
96 H ILE 12 H ILE 12 -0.665 -1.059 -1.054
97 HA ILE 12 HA ILE 12 -2.888 -1.214 -2.988
98 HB ILE 12 HB ILE 12 -1.042 -3.255 -1.873
99 HG12 ILE 12 1HG1 ILE 12 -0.942 -4.019 -4.306
100 HG13 ILE 12 2HG1 ILE 12 -2.069 -2.746 -4.737
101 HG21 ILE 12 1HG2 ILE 12 -3.718 -4.104 -3.133
102 HG22 ILE 12 2HG2 ILE 12 -2.338 -5.189 -2.819
103 HG23 ILE 12 3HG2 ILE 12 -3.180 -4.428 -1.467
104 HD11 ILE 12 1HD1 ILE 12 -0.322 -1.011 -4.112
105 HD12 ILE 12 2HD1 ILE 12 0.292 -2.171 -5.307
106 HD13 ILE 12 3HD1 ILE 12 0.778 -2.326 -3.607
107 H GLN 13 H GLN 13 -2.345 -2.233 0.394
108 HA GLN 13 HA GLN 13 -5.045 -2.625 1.145
109 HB2 GLN 13 1HB GLN 13 -2.878 -1.639 2.982
110 HB3 GLN 13 2HB GLN 13 -4.419 -2.264 3.442
111 HG2 GLN 13 1HG GLN 13 -3.912 -4.504 2.390
112 HG3 GLN 13 2HG GLN 13 -2.306 -3.936 1.978
113 HE21 GLN 13 1HE2 GLN 13 -4.235 -5.276 4.476
114 HE22 GLN 13 2HE2 GLN 13 -2.948 -5.242 5.783
115 H LYS 14 H LYS 14 -3.268 0.474 0.884
116 HA LYS 14 HA LYS 14 -5.362 2.090 2.124
117 HB2 LYS 14 1HB LYS 14 -2.977 2.759 1.949
118 HB3 LYS 14 2HB LYS 14 -3.144 3.017 0.210
119 HG2 LYS 14 2HG LYS 14 -4.682 4.528 2.423
120 HG3 LYS 14 1HG LYS 14 -3.134 5.040 1.793
121 HD2 LYS 14 1HD LYS 14 -5.768 4.943 0.230
122 HD3 LYS 14 2HD LYS 14 -4.988 6.370 0.846
123 HE2 LYS 14 1HE LYS 14 -3.828 4.567 -1.391
124 HE3 LYS 14 2HE LYS 14 -4.716 6.064 -1.638
125 HZ2 LYS 14 1HZ LYS 14 -2.146 5.866 -0.174
126 HZ3 LYS 14 2HZ LYS 14 -2.987 7.247 -0.415
127 H ASN 15 H ASN 15 -4.649 1.381 -1.298
128 HA ASN 15 HA ASN 15 -6.564 2.997 -2.667
129 HB2 ASN 15 2HB ASN 15 -4.636 1.583 -3.667
130 HB3 ASN 15 1HB ASN 15 -5.775 0.222 -3.509
131 HD21 ASN 15 1HD2 ASN 15 -5.564 -0.036 -5.774
132 HD22 ASN 15 2HD2 ASN 15 -6.466 1.054 -6.946
133 H GLN 16 H GLN 16 -6.817 -0.373 -1.812
134 HA GLN 16 HA GLN 16 -9.542 -0.816 -2.592
135 HB2 GLN 16 1HB GLN 16 -9.093 -3.013 -2.129
136 HB3 GLN 16 2HB GLN 16 -7.520 -2.388 -2.506
137 HG2 GLN 16 2HG GLN 16 -7.033 -2.198 0.016
138 HG3 GLN 16 1HG GLN 16 -8.567 -2.975 0.352
139 HE21 GLN 16 1HE2 GLN 16 -8.736 -5.232 -0.012
140 HE22 GLN 16 2HE2 GLN 16 -7.276 -6.263 -0.429
141 H ASN 17 H ASN 17 -8.287 0.218 0.521
142 HA ASN 17 HA ASN 17 -10.702 -0.297 2.042
143 HB2 ASN 17 1HB ASN 17 -8.434 -0.124 3.072
144 HB3 ASN 17 2HB ASN 17 -8.360 1.584 2.700
145 HD21 ASN 17 2HD2 ASN 17 -9.236 2.958 4.248
146 HD22 ASN 17 1HD2 ASN 17 -10.149 2.379 5.731
147 H LEU 18 H LEU 18 -9.626 2.694 0.304
148 HA LEU 18 HA LEU 18 -11.545 4.493 1.091
149 HB2 LEU 18 1HB LEU 18 -10.513 4.142 -1.754
150 HB3 LEU 18 2HB LEU 18 -11.226 5.614 -1.128
151 HG LEU 18 HG LEU 18 -8.765 4.351 0.193
152 HD11 LEU 18 1HD2 LEU 18 -7.322 5.845 -1.173
153 HD12 LEU 18 2HD2 LEU 18 -8.748 6.365 -2.120
154 HD13 LEU 18 3HD2 LEU 18 -8.196 4.667 -2.171
155 HD21 LEU 18 1HD1 LEU 18 -8.299 6.579 1.071
156 HD22 LEU 18 2HD1 LEU 18 -9.802 7.211 0.316
157 HD23 LEU 18 3HD1 LEU 18 -9.876 5.972 1.604
158 H PHE 19 H PHE 19 -12.040 2.653 -1.938
159 HA PHE 19 HA PHE 19 -14.877 3.122 -2.032
160 HB2 PHE 19 1HB PHE 19 -14.836 1.646 -4.018
161 HB3 PHE 19 2HB PHE 19 -13.804 3.054 -4.071
162 HD1 PHE 19 HD2 PHE 19 -13.810 -0.687 -3.945
163 HD2 PHE 19 HD1 PHE 19 -11.345 2.824 -4.284
164 HE1 PHE 19 HE2 PHE 19 -11.967 -2.054 -4.833
165 HE2 PHE 19 HE1 PHE 19 -9.530 1.447 -5.206
166 HZ PHE 19 HZ PHE 19 -9.832 -0.989 -5.482
167 H LYS 20 H LYS 20 -13.233 -0.021 -1.592
168 HA LYS 20 HA LYS 20 -15.688 -1.245 -0.513
169 HB2 LYS 20 1HB LYS 20 -14.137 -2.370 -2.117
170 HB3 LYS 20 2HB LYS 20 -13.011 -2.554 -0.776
171 HG2 LYS 20 1HG LYS 20 -15.884 -3.687 -0.832
172 HG3 LYS 20 2HG LYS 20 -14.476 -4.553 -1.422
173 HD2 LYS 20 2HD LYS 20 -13.434 -4.435 0.904
174 HD3 LYS 20 1HD LYS 20 -14.922 -3.688 1.499
175 HE2 LYS 20 1HE LYS 20 -16.250 -5.727 0.773
176 HE3 LYS 20 2HE LYS 20 -14.762 -6.485 0.186
177 HZ2 LYS 20 1HZ LYS 20 -15.344 -7.207 2.404
178 HZ3 LYS 20 2HZ LYS 20 -15.311 -5.681 2.989
Start of MODEL 11
1 H1 LYS 1 H LYS 1 16.329 -3.310 0.201
2 HA LYS 1 HA LYS 1 14.868 -1.151 1.425
3 HB2 LYS 1 2HB LYS 1 14.621 0.249 -0.749
4 HB3 LYS 1 1HB LYS 1 15.973 0.520 0.320
5 HG2 LYS 1 1HG LYS 1 16.815 0.768 -1.851
6 HG3 LYS 1 2HG LYS 1 17.533 -0.693 -1.204
7 HD2 LYS 1 2HD LYS 1 15.997 -2.103 -2.567
8 HD3 LYS 1 1HD LYS 1 15.146 -0.686 -3.173
9 HE2 LYS 1 2HE LYS 1 18.148 -1.299 -3.666
10 HE3 LYS 1 1HE LYS 1 16.846 -1.734 -4.769
11 HZ2 LYS 1 1HZ LYS 1 16.312 0.589 -5.048
12 HZ3 LYS 1 2HZ LYS 1 17.870 0.296 -5.449
13 H MET 2 H MET 2 13.803 -3.147 1.711
14 HA MET 2 HA MET 2 11.977 -3.858 -0.514
15 HB2 MET 2 2HB MET 2 12.552 -6.197 -0.552
16 HB3 MET 2 1HB MET 2 14.034 -5.305 -0.780
17 HG2 MET 2 1HG MET 2 13.271 -6.584 1.927
18 HG3 MET 2 2HG MET 2 14.252 -7.355 0.673
19 HE1 MET 2 1HE MET 2 16.202 -7.703 2.486
20 HE2 MET 2 2HE MET 2 16.922 -6.358 3.419
21 HE3 MET 2 3HE MET 2 15.231 -6.851 3.728
22 H ASN 3 H ASN 3 11.123 -2.377 1.217
23 HA ASN 3 HA ASN 3 9.131 -3.961 2.700
24 HB2 ASN 3 2HB ASN 3 9.223 -2.757 4.822
25 HB3 ASN 3 1HB ASN 3 10.721 -3.583 4.518
26 HD21 ASN 3 1HD2 ASN 3 9.374 -0.601 5.375
27 HD22 ASN 3 2HD2 ASN 3 10.918 0.384 5.269
28 H MET 4 H MET 4 9.934 -0.450 2.137
29 HA MET 4 HA MET 4 7.179 0.110 1.569
30 HB2 MET 4 2HB MET 4 9.483 1.877 0.567
31 HB3 MET 4 1HB MET 4 7.852 2.363 0.993
32 HG2 MET 4 1HG MET 4 8.463 1.640 3.463
33 HG3 MET 4 2HG MET 4 10.121 1.563 2.882
34 HE1 MET 4 1HE MET 4 10.023 5.024 4.825
35 HE2 MET 4 2HE MET 4 9.139 3.529 5.251
36 HE3 MET 4 3HE MET 4 10.835 3.437 4.682
37 H LEU 5 H LEU 5 8.267 -1.971 -0.186
38 HA LEU 5 HA LEU 5 7.913 -0.992 -2.979
39 HB2 LEU 5 2HB LEU 5 8.796 -3.698 -1.841
40 HB3 LEU 5 1HB LEU 5 8.585 -3.380 -3.556
41 HG LEU 5 HG LEU 5 10.642 -2.103 -1.665
42 HD11 LEU 5 1HD1 LEU 5 10.949 -4.487 -2.335
43 HD12 LEU 5 2HD1 LEU 5 10.891 -4.019 -4.054
44 HD13 LEU 5 3HD1 LEU 5 12.226 -3.437 -3.004
45 HD21 LEU 5 1HD2 LEU 5 10.260 -1.506 -4.676
46 HD22 LEU 5 2HD2 LEU 5 10.084 -0.347 -3.334
47 HD23 LEU 5 3HD2 LEU 5 11.677 -1.029 -3.699
48 H LYS 6 H LYS 6 6.825 -3.966 -1.373
49 HA LYS 6 HA LYS 6 4.163 -3.846 -2.516
50 HB2 LYS 6 2HB LYS 6 5.158 -5.582 -0.157
51 HB3 LYS 6 1HB LYS 6 3.573 -5.753 -0.899
52 HG2 LYS 6 1HG LYS 6 4.629 -6.309 -3.119
53 HG3 LYS 6 2HG LYS 6 6.232 -6.159 -2.398
54 HD2 LYS 6 1HD LYS 6 5.651 -8.030 -0.754
55 HD3 LYS 6 2HD LYS 6 4.067 -8.162 -1.500
56 HE2 LYS 6 1HE LYS 6 5.379 -9.943 -2.422
57 HE3 LYS 6 2HE LYS 6 5.169 -8.777 -3.725
58 HZ2 LYS 6 1HZ LYS 6 7.403 -7.953 -3.275
59 HZ3 LYS 6 2HZ LYS 6 7.422 -9.553 -3.614
60 H GLU 7 H GLU 7 5.395 -2.684 0.590
61 HA GLU 7 HA GLU 7 2.708 -2.074 1.705
62 HB2 GLU 7 1HB GLU 7 5.434 -0.883 2.555
63 HB3 GLU 7 2HB GLU 7 3.916 -0.566 3.374
64 HG2 GLU 7 1HG GLU 7 3.659 -3.000 3.963
65 HG3 GLU 7 2HG GLU 7 5.165 -3.376 3.132
66 HE2 GLU 7 HE2 GLU 7 5.144 -1.620 6.769
67 H ASN 8 H ASN 8 5.037 -0.050 -0.204
68 HA ASN 8 HA ASN 8 3.293 2.280 -0.093
69 HB2 ASN 8 1HB ASN 8 5.624 2.361 -1.099
70 HB3 ASN 8 2HB ASN 8 5.026 1.422 -2.509
71 HD21 ASN 8 2HD2 ASN 8 4.559 2.756 -4.214
72 HD22 ASN 8 1HD2 ASN 8 4.159 4.543 -4.101
73 H VAL 9 H VAL 9 3.379 -0.333 -2.563
74 HA VAL 9 HA VAL 9 1.081 0.488 -4.018
75 HB VAL 9 HB VAL 9 3.247 -1.323 -4.209
76 HG11 VAL 9 1HG2 VAL 9 2.391 -3.530 -4.862
77 HG12 VAL 9 2HG2 VAL 9 0.709 -3.070 -4.494
78 HG13 VAL 9 3HG2 VAL 9 1.898 -3.234 -3.185
79 HG21 VAL 9 1HG1 VAL 9 2.570 -1.616 -6.509
80 HG22 VAL 9 2HG1 VAL 9 2.369 0.066 -5.977
81 HG23 VAL 9 3HG1 VAL 9 0.929 -0.978 -6.153
82 H ASP 10 H ASP 10 0.792 -0.387 -0.838
83 HA ASP 10 HA ASP 10 -1.720 -1.872 -0.958
84 HB2 ASP 10 2HB ASP 10 0.360 -2.962 0.329
85 HB3 ASP 10 1HB ASP 10 0.023 -1.684 1.476
86 HD2 ASP 10 HD2 ASP 10 -1.222 -4.386 -0.114
87 H TYR 11 H TYR 11 0.324 0.749 0.267
88 HA TYR 11 HA TYR 11 -1.552 2.212 1.912
89 HB2 TYR 11 2HB TYR 11 1.090 2.386 1.806
90 HB3 TYR 11 1HB TYR 11 0.788 3.447 0.489
91 HD1 TYR 11 HD2 TYR 11 -0.007 2.935 4.114
92 HD2 TYR 11 HD1 TYR 11 -0.055 5.743 0.872
93 HE1 TYR 11 HE2 TYR 11 -0.405 4.774 5.714
94 HE2 TYR 11 HE1 TYR 11 -0.449 7.582 2.470
95 HH TYR 11 HH TYR 11 -0.749 8.145 4.597
96 H ILE 12 H ILE 12 -0.931 2.456 -1.564
97 HA ILE 12 HA ILE 12 -2.410 4.974 -1.932
98 HB ILE 12 HB ILE 12 -0.982 3.182 -3.828
99 HG12 ILE 12 1HG1 ILE 12 -0.011 5.426 -4.659
100 HG13 ILE 12 2HG1 ILE 12 -0.913 6.239 -3.396
101 HG21 ILE 12 1HG2 ILE 12 -2.972 5.294 -4.848
102 HG22 ILE 12 2HG2 ILE 12 -3.076 3.534 -5.097
103 HG23 ILE 12 3HG2 ILE 12 -1.766 4.445 -5.851
104 HD11 ILE 12 1HD1 ILE 12 1.487 5.937 -2.807
105 HD12 ILE 12 2HD1 ILE 12 0.499 5.023 -1.653
106 HD13 ILE 12 3HD1 ILE 12 1.351 4.177 -2.978
107 H GLN 13 H GLN 13 -2.996 1.534 -2.744
108 HA GLN 13 HA GLN 13 -5.784 1.904 -3.326
109 HB2 GLN 13 1HB GLN 13 -6.065 -0.458 -3.242
110 HB3 GLN 13 2HB GLN 13 -4.663 -0.081 -4.186
111 HG2 GLN 13 1HG GLN 13 -3.213 -0.722 -2.189
112 HG3 GLN 13 2HG GLN 13 -4.644 -1.145 -1.268
113 HE21 GLN 13 2HE2 GLN 13 -5.904 -3.005 -1.991
114 HE22 GLN 13 1HE2 GLN 13 -5.107 -4.289 -3.030
115 H LYS 14 H LYS 14 -4.103 1.529 -0.188
116 HA LYS 14 HA LYS 14 -6.540 1.032 1.346
117 HB2 LYS 14 1HB LYS 14 -4.337 0.397 2.196
118 HB3 LYS 14 2HB LYS 14 -3.825 2.093 2.274
119 HG2 LYS 14 1HG LYS 14 -5.512 2.514 4.081
120 HG3 LYS 14 2HG LYS 14 -6.137 0.877 3.905
121 HD2 LYS 14 1HD LYS 14 -4.745 0.898 5.856
122 HD3 LYS 14 2HD LYS 14 -3.913 -0.067 4.643
123 HE2 LYS 14 2HE LYS 14 -2.384 1.910 4.128
124 HE3 LYS 14 1HE LYS 14 -3.251 2.892 5.317
125 HZ2 LYS 14 1HZ LYS 14 -2.595 1.275 7.016
126 HZ3 LYS 14 2HZ LYS 14 -1.792 0.375 5.912
127 H ASN 15 H ASN 15 -4.811 4.066 0.579
128 HA ASN 15 HA ASN 15 -6.238 5.954 2.191
129 HB2 ASN 15 1HB ASN 15 -4.098 6.308 0.742
130 HB3 ASN 15 2HB ASN 15 -5.259 6.531 -0.590
131 HD21 ASN 15 1HD2 ASN 15 -4.337 8.624 -0.829
132 HD22 ASN 15 2HD2 ASN 15 -4.808 9.998 0.294
133 H GLN 16 H GLN 16 -6.743 5.167 -1.170
134 HA GLN 16 HA GLN 16 -9.255 6.583 -1.494
135 HB2 GLN 16 2HB GLN 16 -8.889 6.202 -3.761
136 HB3 GLN 16 1HB GLN 16 -7.289 6.328 -3.097
137 HG2 GLN 16 2HG GLN 16 -7.176 3.732 -3.076
138 HG3 GLN 16 1HG GLN 16 -8.698 3.700 -3.938
139 HE21 GLN 16 2HE2 GLN 16 -8.703 4.315 -6.155
140 HE22 GLN 16 1HE2 GLN 16 -7.143 4.559 -7.089
141 H ASN 17 H ASN 17 -8.669 3.276 -0.534
142 HA ASN 17 HA ASN 17 -11.512 2.655 -0.422
143 HB2 ASN 17 1HB ASN 17 -9.840 0.896 -2.320
144 HB3 ASN 17 2HB ASN 17 -11.371 0.417 -1.627
145 HD21 ASN 17 2HD2 ASN 17 -10.143 1.522 -4.404
146 HD22 ASN 17 1HD2 ASN 17 -11.634 2.363 -5.063
147 H LEU 18 H LEU 18 -10.127 2.861 1.869
148 HA LEU 18 HA LEU 18 -8.644 1.237 3.061
149 HB2 LEU 18 1HB LEU 18 -11.450 1.830 4.137
150 HB3 LEU 18 2HB LEU 18 -10.115 1.353 5.155
151 HG LEU 18 HG LEU 18 -9.808 3.822 3.349
152 HD11 LEU 18 1HD2 LEU 18 -11.149 3.856 6.104
153 HD12 LEU 18 2HD2 LEU 18 -10.676 5.280 5.125
154 HD13 LEU 18 3HD2 LEU 18 -11.933 4.176 4.531
155 HD21 LEU 18 1HD1 LEU 18 -8.537 3.157 6.060
156 HD22 LEU 18 2HD1 LEU 18 -7.770 2.933 4.469
157 HD23 LEU 18 3HD1 LEU 18 -8.190 4.568 5.011
158 H PHE 19 H PHE 19 -11.849 -0.034 2.306
159 HA PHE 19 HA PHE 19 -11.661 -2.591 3.590
160 HB2 PHE 19 1HB PHE 19 -13.614 -3.182 2.144
161 HB3 PHE 19 2HB PHE 19 -13.833 -1.753 3.117
162 HD1 PHE 19 HD2 PHE 19 -13.883 0.558 1.977
163 HD2 PHE 19 HD1 PHE 19 -13.599 -3.054 -0.345
164 HE1 PHE 19 HE2 PHE 19 -14.571 1.784 -0.036
165 HE2 PHE 19 HE1 PHE 19 -14.293 -1.808 -2.350
166 HZ PHE 19 HZ PHE 19 -14.784 0.609 -2.199
167 H LYS 20 H LYS 20 -11.020 -1.748 0.191
168 HA LYS 20 HA LYS 20 -10.111 -4.411 -0.577
169 HB2 LYS 20 1HB LYS 20 -11.263 -2.872 -2.105
170 HB3 LYS 20 2HB LYS 20 -9.852 -1.812 -2.040
171 HG2 LYS 20 1HG LYS 20 -8.442 -3.642 -3.086
172 HG3 LYS 20 2HG LYS 20 -9.853 -4.704 -3.110
173 HD2 LYS 20 2HD LYS 20 -11.054 -3.064 -4.627
174 HD3 LYS 20 1HD LYS 20 -9.644 -1.999 -4.592
175 HE2 LYS 20 1HE LYS 20 -8.231 -3.837 -5.647
176 HE3 LYS 20 2HE LYS 20 -9.647 -4.898 -5.687
177 HZ2 LYS 20 1HZ LYS 20 -10.755 -3.252 -7.097
178 HZ3 LYS 20 2HZ LYS 20 -9.445 -2.275 -7.062
Start of MODEL 12
1 H1 LYS 1 H LYS 1 17.472 -1.067 -0.725
2 HA LYS 1 HA LYS 1 15.673 1.152 -0.494
3 HB2 LYS 1 2HB LYS 1 15.130 1.494 -2.898
4 HB3 LYS 1 1HB LYS 1 16.642 2.216 -2.432
5 HG2 LYS 1 2HG LYS 1 16.662 -0.554 -3.767
6 HG3 LYS 1 1HG LYS 1 16.335 0.874 -4.735
7 HD2 LYS 1 2HD LYS 1 18.513 1.903 -4.010
8 HD3 LYS 1 1HD LYS 1 18.901 0.484 -3.057
9 HE2 LYS 1 1HE LYS 1 18.453 0.456 -6.122
10 HE3 LYS 1 2HE LYS 1 20.024 0.597 -5.339
11 HZ2 LYS 1 1HZ LYS 1 19.541 -1.662 -5.985
12 HZ3 LYS 1 2HZ LYS 1 18.186 -1.713 -5.072
13 H MET 2 H MET 2 15.381 -0.957 0.710
14 HA MET 2 HA MET 2 13.353 -2.651 -0.693
15 HB2 MET 2 1HB MET 2 15.927 -3.514 0.826
16 HB3 MET 2 2HB MET 2 14.592 -4.632 0.593
17 HG2 MET 2 2HG MET 2 16.202 -3.324 -1.661
18 HG3 MET 2 1HG MET 2 16.392 -4.971 -1.050
19 HE1 MET 2 1HE MET 2 15.765 -4.077 -4.159
20 HE2 MET 2 2HE MET 2 16.056 -5.776 -3.669
21 HE3 MET 2 3HE MET 2 14.607 -5.356 -4.630
22 H ASN 3 H ASN 3 12.517 -0.720 0.692
23 HA ASN 3 HA ASN 3 11.245 -1.951 3.095
24 HB2 ASN 3 1HB ASN 3 12.284 0.976 3.049
25 HB3 ASN 3 2HB ASN 3 11.204 0.343 4.271
26 HD21 ASN 3 2HD2 ASN 3 14.490 0.647 3.395
27 HD22 ASN 3 1HD2 ASN 3 15.165 -0.336 4.789
28 H MET 4 H MET 4 10.884 0.990 0.986
29 HA MET 4 HA MET 4 8.028 0.761 1.041
30 HB2 MET 4 2HB MET 4 9.560 2.162 -1.215
31 HB3 MET 4 1HB MET 4 7.955 2.517 -0.601
32 HG2 MET 4 1HG MET 4 9.153 3.188 1.662
33 HG3 MET 4 2HG MET 4 10.646 3.109 0.736
34 HE1 MET 4 1HE MET 4 11.089 5.718 1.294
35 HE2 MET 4 2HE MET 4 9.543 5.790 2.197
36 HE3 MET 4 3HE MET 4 9.905 7.013 0.944
37 H LEU 5 H LEU 5 8.897 -1.830 0.334
38 HA LEU 5 HA LEU 5 8.393 -2.315 -2.551
39 HB2 LEU 5 1HB LEU 5 9.393 -4.349 -2.598
40 HB3 LEU 5 2HB LEU 5 10.433 -3.147 -1.915
41 HG LEU 5 HG LEU 5 9.501 -4.095 0.420
42 HD11 LEU 5 1HD2 LEU 5 9.130 -6.550 0.413
43 HD12 LEU 5 2HD2 LEU 5 9.348 -6.630 -1.361
44 HD13 LEU 5 3HD2 LEU 5 7.926 -5.835 -0.674
45 HD21 LEU 5 1HD1 LEU 5 11.836 -4.002 -0.347
46 HD22 LEU 5 2HD1 LEU 5 11.627 -5.464 -1.334
47 HD23 LEU 5 3HD1 LEU 5 11.541 -5.559 0.465
48 H LYS 6 H LYS 6 7.601 -3.736 0.579
49 HA LYS 6 HA LYS 6 4.859 -4.444 -0.198
50 HB2 LYS 6 1HB LYS 6 6.413 -5.897 1.295
51 HB3 LYS 6 2HB LYS 6 6.295 -4.681 2.539
52 HG2 LYS 6 2HG LYS 6 4.836 -6.538 3.090
53 HG3 LYS 6 1HG LYS 6 3.866 -5.110 2.816
54 HD2 LYS 6 2HD LYS 6 2.714 -6.991 1.899
55 HD3 LYS 6 1HD LYS 6 3.159 -5.974 0.555
56 HE2 LYS 6 2HE LYS 6 4.778 -8.493 1.382
57 HE3 LYS 6 1HE LYS 6 3.390 -8.559 0.301
58 HZ2 LYS 6 1HZ LYS 6 5.869 -7.028 -0.215
59 HZ3 LYS 6 2HZ LYS 6 5.449 -8.448 -0.908
60 H GLU 7 H GLU 7 6.390 -1.948 1.797
61 HA GLU 7 HA GLU 7 3.872 -0.848 2.880
62 HB2 GLU 7 2HB GLU 7 6.572 0.625 2.545
63 HB3 GLU 7 1HB GLU 7 5.202 1.238 3.451
64 HG2 GLU 7 2HG GLU 7 5.381 -0.640 5.104
65 HG3 GLU 7 1HG GLU 7 6.704 -1.356 4.190
66 HE2 GLU 7 HE2 GLU 7 7.295 1.861 6.551
67 H ASN 8 H ASN 8 5.702 -0.022 -0.129
68 HA ASN 8 HA ASN 8 3.852 2.127 -0.833
69 HB2 ASN 8 2HB ASN 8 6.056 1.673 -2.072
70 HB3 ASN 8 1HB ASN 8 5.293 0.226 -2.808
71 HD21 ASN 8 2HD2 ASN 8 4.494 0.659 -4.829
72 HD22 ASN 8 1HD2 ASN 8 4.067 2.321 -5.480
73 H VAL 9 H VAL 9 3.792 -1.353 -1.746
74 HA VAL 9 HA VAL 9 1.292 -1.296 -3.113
75 HB VAL 9 HB VAL 9 3.512 -3.009 -2.693
76 HG11 VAL 9 1HG1 VAL 9 2.688 -5.249 -2.124
77 HG12 VAL 9 2HG1 VAL 9 2.367 -4.185 -0.742
78 HG13 VAL 9 3HG1 VAL 9 1.037 -4.648 -1.825
79 HG21 VAL 9 1HG2 VAL 9 2.397 -2.598 -4.788
80 HG22 VAL 9 2HG2 VAL 9 2.599 -4.337 -4.492
81 HG23 VAL 9 3HG2 VAL 9 0.986 -3.575 -4.291
82 H ASP 10 H ASP 10 1.571 -0.665 0.148
83 HA ASP 10 HA ASP 10 -0.866 -1.974 1.126
84 HB2 ASP 10 1HB ASP 10 1.432 -2.309 2.449
85 HB3 ASP 10 2HB ASP 10 1.203 -0.620 2.837
86 HD2 ASP 10 HD2 ASP 10 -1.287 -1.092 5.161
87 H TYR 11 H TYR 11 1.073 0.929 0.550
88 HA TYR 11 HA TYR 11 -0.717 2.975 1.598
89 HB2 TYR 11 2HB TYR 11 1.877 3.138 1.062
90 HB3 TYR 11 1HB TYR 11 1.347 3.419 -0.546
91 HD1 TYR 11 HD1 TYR 11 1.000 4.713 2.945
92 HD2 TYR 11 HD2 TYR 11 0.287 5.574 -1.193
93 HE1 TYR 11 HE1 TYR 11 0.608 7.088 3.508
94 HE2 TYR 11 HE2 TYR 11 -0.107 7.947 -0.634
95 HH TYR 11 HH TYR 11 0.087 9.103 2.736
96 H ILE 12 H ILE 12 -0.389 1.589 -1.646
97 HA ILE 12 HA ILE 12 -2.241 3.495 -2.921
98 HB ILE 12 HB ILE 12 -0.639 1.226 -4.003
99 HG12 ILE 12 1HG1 ILE 12 -0.041 2.973 -5.809
100 HG13 ILE 12 2HG1 ILE 12 -0.962 4.158 -4.904
101 HG21 ILE 12 1HG2 ILE 12 -2.828 0.771 -5.063
102 HG22 ILE 12 2HG2 ILE 12 -2.955 2.464 -5.603
103 HG23 ILE 12 3HG2 ILE 12 -1.697 1.389 -6.271
104 HD11 ILE 12 1HD1 ILE 12 1.564 2.679 -3.898
105 HD12 ILE 12 2HD1 ILE 12 1.508 4.336 -4.533
106 HD13 ILE 12 3HD1 ILE 12 0.705 3.961 -2.997
107 H GLN 13 H GLN 13 -2.302 0.005 -2.108
108 HA GLN 13 HA GLN 13 -5.099 -0.370 -2.377
109 HB2 GLN 13 1HB GLN 13 -3.327 -1.835 -0.431
110 HB3 GLN 13 2HB GLN 13 -4.955 -2.237 -0.823
111 HG2 GLN 13 1HG GLN 13 -4.382 -2.585 -3.254
112 HG3 GLN 13 2HG GLN 13 -2.700 -2.251 -2.901
113 HE21 GLN 13 2HE2 GLN 13 -5.202 -4.638 -2.739
114 HE22 GLN 13 1HE2 GLN 13 -4.158 -5.979 -2.047
115 H LYS 14 H LYS 14 -3.345 1.178 0.335
116 HA LYS 14 HA LYS 14 -5.575 1.238 2.187
117 HB2 LYS 14 1HB LYS 14 -3.362 1.567 3.024
118 HB3 LYS 14 2HB LYS 14 -3.120 3.022 2.043
119 HG2 LYS 14 2HG LYS 14 -4.863 4.221 3.411
120 HG3 LYS 14 1HG LYS 14 -5.179 2.748 4.312
121 HD2 LYS 14 2HD LYS 14 -3.801 4.117 5.699
122 HD3 LYS 14 1HD LYS 14 -2.801 2.762 5.189
123 HE2 LYS 14 2HE LYS 14 -1.681 4.249 3.447
124 HE3 LYS 14 1HE LYS 14 -2.727 5.595 3.917
125 HZ2 LYS 14 1HZ LYS 14 -0.574 5.691 4.980
126 HZ3 LYS 14 2HZ LYS 14 -0.766 4.221 5.669
127 H ASN 15 H ASN 15 -4.372 3.727 -0.011
128 HA ASN 15 HA ASN 15 -6.166 5.897 0.360
129 HB2 ASN 15 2HB ASN 15 -3.899 5.709 -0.888
130 HB3 ASN 15 1HB ASN 15 -4.857 5.084 -2.218
131 HD21 ASN 15 1HD2 ASN 15 -4.049 6.850 -3.453
132 HD22 ASN 15 2HD2 ASN 15 -4.732 8.543 -3.257
133 H GLN 16 H GLN 16 -6.342 3.279 -1.991
134 HA GLN 16 HA GLN 16 -8.486 4.051 -3.669
135 HB2 GLN 16 1HB GLN 16 -6.746 2.482 -4.196
136 HB3 GLN 16 2HB GLN 16 -7.007 1.513 -2.757
137 HG2 GLN 16 1HG GLN 16 -7.689 0.254 -4.536
138 HG3 GLN 16 2HG GLN 16 -9.105 0.662 -3.569
139 HE21 GLN 16 1HE2 GLN 16 -7.506 1.180 -6.680
140 HE22 GLN 16 2HE2 GLN 16 -8.969 1.899 -7.522
141 H ASN 17 H ASN 17 -8.601 2.198 -0.667
142 HA ASN 17 HA ASN 17 -10.619 2.821 0.808
143 HB2 ASN 17 1HB ASN 17 -12.299 3.350 -0.858
144 HB3 ASN 17 2HB ASN 17 -12.366 1.691 -1.422
145 HD21 ASN 17 1HD2 ASN 17 -13.953 0.472 -0.441
146 HD22 ASN 17 2HD2 ASN 17 -14.830 0.940 1.101
147 H LEU 18 H LEU 18 -8.995 1.025 1.872
148 HA LEU 18 HA LEU 18 -9.019 -1.552 1.432
149 HB2 LEU 18 1HB LEU 18 -9.417 -0.303 4.212
150 HB3 LEU 18 2HB LEU 18 -8.794 -1.923 3.979
151 HG LEU 18 HG LEU 18 -7.447 0.483 2.668
152 HD11 LEU 18 1HD2 LEU 18 -5.859 0.566 4.580
153 HD12 LEU 18 2HD2 LEU 18 -6.878 -0.603 5.474
154 HD13 LEU 18 3HD2 LEU 18 -7.518 1.008 5.036
155 HD21 LEU 18 1HD1 LEU 18 -6.774 -1.675 1.712
156 HD22 LEU 18 2HD1 LEU 18 -5.426 -1.003 2.643
157 HD23 LEU 18 3HD1 LEU 18 -6.405 -2.333 3.330
158 H PHE 19 H PHE 19 -11.844 -0.186 3.073
159 HA PHE 19 HA PHE 19 -13.148 -2.588 3.830
160 HB2 PHE 19 2HB PHE 19 -14.593 -0.033 3.204
161 HB3 PHE 19 1HB PHE 19 -15.038 -1.266 4.355
162 HD1 PHE 19 HD2 PHE 19 -13.368 -1.680 6.396
163 HD2 PHE 19 HD1 PHE 19 -13.360 1.907 4.020
164 HE1 PHE 19 HE2 PHE 19 -12.282 -0.452 8.235
165 HE2 PHE 19 HE1 PHE 19 -12.278 3.116 5.866
166 HZ PHE 19 HZ PHE 19 -11.736 1.944 7.974
167 H LYS 20 H LYS 20 -15.707 -2.893 2.979
168 HA LYS 20 HA LYS 20 -15.460 -4.028 0.314
169 HB2 LYS 20 2HB LYS 20 -16.622 -5.147 2.174
170 HB3 LYS 20 1HB LYS 20 -17.873 -3.905 2.068
171 HG2 LYS 20 1HG LYS 20 -18.383 -4.654 -0.308
172 HG3 LYS 20 2HG LYS 20 -17.112 -5.871 -0.185
173 HD2 LYS 20 2HD LYS 20 -18.342 -6.952 1.747
174 HD3 LYS 20 1HD LYS 20 -19.626 -5.760 1.622
175 HE2 LYS 20 1HE LYS 20 -18.840 -7.744 -0.629
176 HE3 LYS 20 2HE LYS 20 -20.122 -8.020 0.547
177 HZ2 LYS 20 1HZ LYS 20 -20.072 -5.768 -1.380
178 HZ3 LYS 20 2HZ LYS 20 -21.250 -6.035 -0.278
Start of MODEL 13
1 H1 LYS 1 H LYS 1 16.530 -3.899 0.789
2 HA LYS 1 HA LYS 1 14.590 -2.034 1.932
3 HB2 LYS 1 1HB LYS 1 14.137 -0.749 -0.075
4 HB3 LYS 1 2HB LYS 1 15.680 -0.324 0.590
5 HG2 LYS 1 1HG LYS 1 15.482 -2.290 -1.781
6 HG3 LYS 1 2HG LYS 1 15.338 -0.555 -2.010
7 HD2 LYS 1 2HD LYS 1 17.612 -0.198 -0.971
8 HD3 LYS 1 1HD LYS 1 17.801 -1.943 -0.785
9 HE2 LYS 1 2HE LYS 1 17.590 -2.244 -3.299
10 HE3 LYS 1 1HE LYS 1 17.408 -0.494 -3.491
11 HZ2 LYS 1 1HZ LYS 1 19.598 -0.195 -2.536
12 HZ3 LYS 1 2HZ LYS 1 19.664 -1.160 -3.855
13 H MET 2 H MET 2 13.342 -2.478 -0.772
14 HA MET 2 HA MET 2 11.848 -3.955 -1.733
15 HB2 MET 2 1HB MET 2 14.381 -5.261 -1.681
16 HB3 MET 2 2HB MET 2 13.330 -6.488 -1.041
17 HG2 MET 2 1HG MET 2 11.713 -5.848 -3.062
18 HG3 MET 2 2HG MET 2 13.051 -4.840 -3.630
19 HE1 MET 2 1HE MET 2 12.601 -8.611 -2.128
20 HE2 MET 2 2HE MET 2 11.507 -8.406 -3.532
21 HE3 MET 2 3HE MET 2 12.908 -9.512 -3.642
22 H ASN 3 H ASN 3 10.754 -3.089 0.233
23 HA ASN 3 HA ASN 3 8.796 -5.058 0.958
24 HB2 ASN 3 1HB ASN 3 8.814 -5.018 3.443
25 HB3 ASN 3 2HB ASN 3 10.188 -5.844 2.774
26 HD21 ASN 3 1HD2 ASN 3 9.314 -3.659 5.112
27 HD22 ASN 3 2HD2 ASN 3 10.980 -2.963 5.442
28 H MET 4 H MET 4 9.632 -1.952 2.659
29 HA MET 4 HA MET 4 7.022 -0.951 2.070
30 HB2 MET 4 1HB MET 4 9.398 0.894 2.708
31 HB3 MET 4 2HB MET 4 7.699 1.158 3.059
32 HG2 MET 4 1HG MET 4 7.880 -0.916 4.687
33 HG3 MET 4 2HG MET 4 9.619 -0.769 4.456
34 HE1 MET 4 1HE MET 4 9.081 0.909 8.008
35 HE2 MET 4 2HE MET 4 9.958 -0.351 7.090
36 HE3 MET 4 3HE MET 4 8.188 -0.486 7.333
37 H LEU 5 H LEU 5 8.494 -1.644 -0.374
38 HA LEU 5 HA LEU 5 8.556 0.863 -2.006
39 HB2 LEU 5 1HB LEU 5 9.403 -1.980 -2.734
40 HB3 LEU 5 2HB LEU 5 9.506 -0.600 -3.814
41 HG LEU 5 HG LEU 5 11.040 -0.988 -1.167
42 HD11 LEU 5 1HD1 LEU 5 12.042 -0.922 -4.058
43 HD12 LEU 5 2HD1 LEU 5 12.964 -1.348 -2.569
44 HD13 LEU 5 3HD1 LEU 5 11.655 -2.405 -3.159
45 HD21 LEU 5 1HD2 LEU 5 11.265 1.400 -3.123
46 HD22 LEU 5 2HD2 LEU 5 10.703 1.467 -1.433
47 HD23 LEU 5 3HD2 LEU 5 12.389 1.052 -1.781
48 H LYS 6 H LYS 6 7.409 -2.409 -2.768
49 HA LYS 6 HA LYS 6 4.959 -1.458 -4.003
50 HB2 LYS 6 2HB LYS 6 5.698 -4.333 -3.132
51 HB3 LYS 6 1HB LYS 6 4.240 -3.935 -4.029
52 HG2 LYS 6 2HG LYS 6 5.614 -3.011 -5.930
53 HG3 LYS 6 1HG LYS 6 7.096 -3.423 -5.064
54 HD2 LYS 6 2HD LYS 6 6.422 -5.865 -5.065
55 HD3 LYS 6 1HD LYS 6 4.940 -5.455 -5.936
56 HE2 LYS 6 2HE LYS 6 6.325 -4.561 -7.875
57 HE3 LYS 6 1HE LYS 6 7.809 -4.972 -7.003
58 HZ2 LYS 6 1HZ LYS 6 7.170 -6.671 -8.580
59 HZ3 LYS 6 2HZ LYS 6 5.716 -6.890 -7.866
60 H GLU 7 H GLU 7 5.613 -2.527 -0.696
61 HA GLU 7 HA GLU 7 2.749 -2.620 0.088
62 HB2 GLU 7 2HB GLU 7 5.208 -2.360 1.945
63 HB3 GLU 7 1HB GLU 7 3.555 -2.538 2.503
64 HG2 GLU 7 2HG GLU 7 3.356 -4.781 1.382
65 HG3 GLU 7 1HG GLU 7 5.008 -4.654 0.789
66 HE2 GLU 7 HE2 GLU 7 6.605 -4.874 2.096
67 H ASN 8 H ASN 8 5.215 0.041 0.267
68 HA ASN 8 HA ASN 8 3.329 1.877 1.516
69 HB2 ASN 8 1HB ASN 8 5.792 2.431 1.181
70 HB3 ASN 8 2HB ASN 8 5.482 2.627 -0.578
71 HD21 ASN 8 1HD2 ASN 8 5.196 4.759 -1.113
72 HD22 ASN 8 2HD2 ASN 8 4.697 6.097 0.040
73 H VAL 9 H VAL 9 3.981 1.363 -1.984
74 HA VAL 9 HA VAL 9 1.923 3.057 -2.974
75 HB VAL 9 HB VAL 9 4.180 1.614 -3.883
76 HG11 VAL 9 1HG1 VAL 9 1.822 0.576 -5.594
77 HG12 VAL 9 2HG1 VAL 9 2.789 -0.431 -4.495
78 HG13 VAL 9 3HG1 VAL 9 3.563 0.341 -5.891
79 HG21 VAL 9 1HG2 VAL 9 2.216 3.235 -5.547
80 HG22 VAL 9 2HG2 VAL 9 3.548 3.849 -4.527
81 HG23 VAL 9 3HG2 VAL 9 3.924 2.845 -5.942
82 H ASP 10 H ASP 10 1.218 0.354 -1.163
83 HA ASP 10 HA ASP 10 -1.175 -0.569 -2.573
84 HB2 ASP 10 1HB ASP 10 0.700 -2.352 -1.915
85 HB3 ASP 10 2HB ASP 10 0.163 -1.994 -0.291
86 HD2 ASP 10 HD2 ASP 10 -0.845 -3.038 -3.354
87 H TYR 11 H TYR 11 0.458 0.613 0.345
88 HA TYR 11 HA TYR 11 -1.769 0.841 2.178
89 HB2 TYR 11 2HB TYR 11 0.833 0.917 2.669
90 HB3 TYR 11 1HB TYR 11 0.687 2.575 2.246
91 HD1 TYR 11 HD1 TYR 11 -0.709 -0.005 4.583
92 HD2 TYR 11 HD2 TYR 11 -0.334 4.196 3.803
93 HE1 TYR 11 HE1 TYR 11 -1.475 0.490 6.880
94 HE2 TYR 11 HE2 TYR 11 -1.100 4.691 6.098
95 HH TYR 11 HH TYR 11 -1.956 2.072 8.363
96 H ILE 12 H ILE 12 -0.559 3.175 -0.186
97 HA ILE 12 HA ILE 12 -2.169 5.445 0.790
98 HB ILE 12 HB ILE 12 -0.226 5.179 -1.447
99 HG12 ILE 12 2HG1 ILE 12 0.659 7.391 -0.468
100 HG13 ILE 12 1HG1 ILE 12 -0.535 7.261 0.808
101 HG21 ILE 12 1HG2 ILE 12 -2.192 7.542 -1.305
102 HG22 ILE 12 2HG2 ILE 12 -0.741 7.467 -2.340
103 HG23 ILE 12 3HG2 ILE 12 -2.073 6.342 -2.615
104 HD11 ILE 12 1HD1 ILE 12 0.633 5.161 1.649
105 HD12 ILE 12 2HD1 ILE 12 1.744 6.539 1.534
106 HD13 ILE 12 3HD1 ILE 12 1.782 5.279 0.285
107 H GLN 13 H GLN 13 -2.190 3.317 -2.078
108 HA GLN 13 HA GLN 13 -4.810 3.905 -2.986
109 HB2 GLN 13 1HB GLN 13 -3.443 1.242 -3.289
110 HB3 GLN 13 2HB GLN 13 -4.837 1.798 -4.142
111 HG2 GLN 13 1HG GLN 13 -3.539 3.703 -5.176
112 HG3 GLN 13 2HG GLN 13 -2.083 3.123 -4.393
113 HE21 GLN 13 2HE2 GLN 13 -4.178 2.692 -7.089
114 HE22 GLN 13 1HE2 GLN 13 -3.272 1.283 -7.836
115 H LYS 14 H LYS 14 -3.819 1.669 -0.352
116 HA LYS 14 HA LYS 14 -6.478 0.505 -0.018
117 HB2 LYS 14 2HB LYS 14 -4.343 -0.557 0.763
118 HB3 LYS 14 1HB LYS 14 -4.259 0.604 2.099
119 HG2 LYS 14 1HG LYS 14 -6.476 -0.335 2.933
120 HG3 LYS 14 2HG LYS 14 -6.514 -1.460 1.579
121 HD2 LYS 14 2HD LYS 14 -4.313 -1.365 3.748
122 HD3 LYS 14 1HD LYS 14 -5.716 -2.423 3.798
123 HE2 LYS 14 1HE LYS 14 -4.979 -3.603 1.703
124 HE3 LYS 14 2HE LYS 14 -3.580 -2.531 1.559
125 HZ2 LYS 14 1HZ LYS 14 -2.811 -3.335 3.714
126 HZ3 LYS 14 2HZ LYS 14 -4.097 -4.335 3.851
127 H ASN 15 H ASN 15 -5.022 3.408 1.409
128 HA ASN 15 HA ASN 15 -6.955 3.959 3.458
129 HB2 ASN 15 1HB ASN 15 -4.620 5.083 3.006
130 HB3 ASN 15 2HB ASN 15 -5.551 6.091 1.871
131 HD21 ASN 15 1HD2 ASN 15 -4.849 7.878 3.142
132 HD22 ASN 15 2HD2 ASN 15 -5.664 8.281 4.736
133 H GLN 16 H GLN 16 -6.720 5.303 0.232
134 HA GLN 16 HA GLN 16 -9.252 6.708 0.272
135 HB2 GLN 16 2HB GLN 16 -8.423 7.725 -1.669
136 HB3 GLN 16 1HB GLN 16 -7.043 7.451 -0.651
137 HG2 GLN 16 1HG GLN 16 -6.522 5.328 -2.075
138 HG3 GLN 16 2HG GLN 16 -7.777 5.836 -3.187
139 HE21 GLN 16 1HE2 GLN 16 -7.363 7.690 -4.509
140 HE22 GLN 16 2HE2 GLN 16 -5.677 8.402 -4.650
141 H ASN 17 H ASN 17 -8.274 3.743 -1.408
142 HA ASN 17 HA ASN 17 -10.914 3.477 -2.731
143 HB2 ASN 17 2HB ASN 17 -8.711 2.943 -3.918
144 HB3 ASN 17 1HB ASN 17 -8.559 1.528 -2.905
145 HD21 ASN 17 1HD2 ASN 17 -10.366 2.978 -5.544
146 HD22 ASN 17 2HD2 ASN 17 -11.155 1.415 -6.092
147 H LEU 18 H LEU 18 -9.574 2.177 0.240
148 HA LEU 18 HA LEU 18 -9.862 0.274 1.538
149 HB2 LEU 18 2HB LEU 18 -12.587 1.526 1.062
150 HB3 LEU 18 1HB LEU 18 -12.156 0.584 2.465
151 HG LEU 18 HG LEU 18 -10.303 2.944 1.784
152 HD11 LEU 18 1HD1 LEU 18 -11.685 4.582 2.869
153 HD12 LEU 18 2HD1 LEU 18 -12.454 3.932 1.407
154 HD13 LEU 18 3HD1 LEU 18 -13.035 3.401 3.016
155 HD21 LEU 18 1HD2 LEU 18 -9.705 1.449 3.645
156 HD22 LEU 18 2HD2 LEU 18 -11.239 1.840 4.474
157 HD23 LEU 18 3HD2 LEU 18 -10.009 3.113 4.180
158 H PHE 19 H PHE 19 -9.396 -1.041 -0.774
159 HA PHE 19 HA PHE 19 -11.395 -2.950 -1.440
160 HB2 PHE 19 2HB PHE 19 -9.442 -4.157 -2.530
161 HB3 PHE 19 1HB PHE 19 -9.835 -2.545 -3.076
162 HD1 PHE 19 HD1 PHE 19 -7.334 -4.470 -0.989
163 HD2 PHE 19 HD2 PHE 19 -8.162 -0.770 -3.020
164 HE1 PHE 19 HE1 PHE 19 -4.959 -3.834 -0.820
165 HE2 PHE 19 HE2 PHE 19 -5.788 -0.172 -2.876
166 HZ PHE 19 HZ PHE 19 -4.183 -1.685 -1.763
167 H LYS 20 H LYS 20 -8.708 -3.355 0.868
168 HA LYS 20 HA LYS 20 -9.399 -6.112 1.497
169 HB2 LYS 20 2HB LYS 20 -7.105 -5.216 1.593
170 HB3 LYS 20 1HB LYS 20 -7.584 -4.283 3.014
171 HG2 LYS 20 1HG LYS 20 -8.085 -6.447 4.248
172 HG3 LYS 20 2HG LYS 20 -7.644 -7.360 2.803
173 HD2 LYS 20 1HD LYS 20 -5.282 -6.390 2.939
174 HD3 LYS 20 2HD LYS 20 -5.760 -5.486 4.368
175 HE2 LYS 20 1HE LYS 20 -4.560 -7.401 5.167
176 HE3 LYS 20 2HE LYS 20 -6.247 -7.677 5.591
177 HZ2 LYS 20 1HZ LYS 20 -5.252 -9.645 4.684
178 HZ3 LYS 20 2HZ LYS 20 -6.434 -9.144 3.672
Start of MODEL 14
1 H1 LYS 1 H LYS 1 17.254 -2.039 1.560
2 HA LYS 1 HA LYS 1 15.000 -1.877 3.352
3 HB2 LYS 1 2HB LYS 1 14.625 0.679 2.941
4 HB3 LYS 1 1HB LYS 1 15.564 0.120 4.296
5 HG2 LYS 1 2HG LYS 1 16.644 2.048 3.535
6 HG3 LYS 1 1HG LYS 1 17.711 0.711 3.157
7 HD2 LYS 1 2HD LYS 1 17.070 0.813 0.758
8 HD3 LYS 1 1HD LYS 1 15.863 2.056 1.069
9 HE2 LYS 1 2HE LYS 1 18.911 2.393 1.542
10 HE3 LYS 1 1HE LYS 1 18.072 2.867 0.068
11 HZ2 LYS 1 1HZ LYS 1 18.346 4.735 1.505
12 HZ3 LYS 1 2HZ LYS 1 16.751 4.425 1.327
13 H MET 2 H MET 2 14.317 -3.276 1.791
14 HA MET 2 HA MET 2 13.428 -2.121 -0.747
15 HB2 MET 2 2HB MET 2 14.738 -3.381 -2.316
16 HB3 MET 2 1HB MET 2 15.851 -2.668 -1.192
17 HG2 MET 2 2HG MET 2 16.831 -4.724 -1.350
18 HG3 MET 2 1HG MET 2 15.773 -5.088 0.021
19 HE1 MET 2 1HE MET 2 15.623 -8.441 -2.059
20 HE2 MET 2 2HE MET 2 17.038 -7.391 -1.750
21 HE3 MET 2 3HE MET 2 15.856 -7.711 -0.442
22 H ASN 3 H ASN 3 11.743 -2.607 0.833
23 HA ASN 3 HA ASN 3 10.184 -4.917 -0.100
24 HB2 ASN 3 1HB ASN 3 10.634 -4.548 2.953
25 HB3 ASN 3 2HB ASN 3 9.335 -5.512 2.290
26 HD21 ASN 3 1HD2 ASN 3 9.873 -7.507 1.178
27 HD22 ASN 3 2HD2 ASN 3 11.473 -8.331 1.531
28 H MET 4 H MET 4 10.140 -2.047 2.116
29 HA MET 4 HA MET 4 7.333 -1.568 1.438
30 HB2 MET 4 1HB MET 4 7.404 0.447 2.805
31 HB3 MET 4 2HB MET 4 7.804 -1.042 3.641
32 HG2 MET 4 2HG MET 4 10.165 -0.584 3.559
33 HG3 MET 4 1HG MET 4 9.936 0.769 2.453
34 HE1 MET 4 1HE MET 4 8.327 -0.426 6.019
35 HE2 MET 4 2HE MET 4 10.111 -0.378 6.170
36 HE3 MET 4 3HE MET 4 9.104 0.800 7.062
37 H LEU 5 H LEU 5 8.858 -1.653 -0.932
38 HA LEU 5 HA LEU 5 9.355 1.098 -1.922
39 HB2 LEU 5 2HB LEU 5 10.712 0.439 -3.621
40 HB3 LEU 5 1HB LEU 5 11.220 -0.238 -2.114
41 HG LEU 5 HG LEU 5 9.773 -2.362 -2.951
42 HD11 LEU 5 1HD1 LEU 5 9.970 -2.758 -5.392
43 HD12 LEU 5 2HD1 LEU 5 10.777 -1.178 -5.634
44 HD13 LEU 5 3HD1 LEU 5 9.070 -1.246 -5.169
45 HD21 LEU 5 1HD2 LEU 5 11.945 -3.303 -3.791
46 HD22 LEU 5 2HD2 LEU 5 12.123 -2.336 -2.307
47 HD23 LEU 5 3HD2 LEU 5 12.615 -1.630 -3.863
48 H LYS 6 H LYS 6 7.952 -1.927 -3.075
49 HA LYS 6 HA LYS 6 5.753 -0.613 -4.509
50 HB2 LYS 6 2HB LYS 6 7.046 -2.705 -5.334
51 HB3 LYS 6 1HB LYS 6 6.279 -3.635 -4.059
52 HG2 LYS 6 2HG LYS 6 4.002 -3.119 -5.086
53 HG3 LYS 6 1HG LYS 6 4.792 -2.155 -6.335
54 HD2 LYS 6 2HD LYS 6 6.062 -4.234 -7.111
55 HD3 LYS 6 1HD LYS 6 5.271 -5.164 -5.848
56 HE2 LYS 6 1HE LYS 6 4.082 -5.654 -7.872
57 HE3 LYS 6 2HE LYS 6 2.996 -4.661 -6.902
58 HZ2 LYS 6 1HZ LYS 6 3.691 -2.740 -8.252
59 HZ3 LYS 6 2HZ LYS 6 4.692 -3.678 -9.140
60 H GLU 7 H GLU 7 6.124 -2.422 -1.480
61 HA GLU 7 HA GLU 7 3.233 -2.587 -0.878
62 HB2 GLU 7 1HB GLU 7 5.583 -2.700 1.133
63 HB3 GLU 7 2HB GLU 7 3.912 -3.058 1.527
64 HG2 GLU 7 2HG GLU 7 3.912 -5.032 -0.026
65 HG3 GLU 7 1HG GLU 7 5.568 -4.680 -0.511
66 HE2 GLU 7 HE2 GLU 7 3.533 -5.651 1.988
67 H ASN 8 H ASN 8 5.660 -0.037 -0.050
68 HA ASN 8 HA ASN 8 3.711 1.509 1.471
69 HB2 ASN 8 2HB ASN 8 6.208 2.073 1.384
70 HB3 ASN 8 1HB ASN 8 5.981 2.658 -0.294
71 HD21 ASN 8 2HD2 ASN 8 5.702 4.856 -0.369
72 HD22 ASN 8 1HD2 ASN 8 5.154 5.913 1.027
73 H VAL 9 H VAL 9 4.586 1.715 -2.013
74 HA VAL 9 HA VAL 9 2.567 3.575 -2.765
75 HB VAL 9 HB VAL 9 4.912 2.360 -3.800
76 HG11 VAL 9 1HG2 VAL 9 4.455 1.578 -6.081
77 HG12 VAL 9 2HG2 VAL 9 2.695 1.753 -5.870
78 HG13 VAL 9 3HG2 VAL 9 3.587 0.514 -4.960
79 HG21 VAL 9 1HG1 VAL 9 4.299 4.689 -3.971
80 HG22 VAL 9 2HG1 VAL 9 4.786 4.026 -5.544
81 HG23 VAL 9 3HG1 VAL 9 3.050 4.322 -5.196
82 H ASP 10 H ASP 10 1.730 0.627 -1.542
83 HA ASP 10 HA ASP 10 -0.544 0.007 -3.269
84 HB2 ASP 10 2HB ASP 10 1.351 -1.855 -2.906
85 HB3 ASP 10 1HB ASP 10 0.646 -1.924 -1.306
86 HD2 ASP 10 HD2 ASP 10 -2.244 -3.558 -2.223
87 H TYR 11 H TYR 11 0.928 0.555 -0.094
88 HA TYR 11 HA TYR 11 -1.395 0.345 1.630
89 HB2 TYR 11 2HB TYR 11 1.183 0.298 2.254
90 HB3 TYR 11 1HB TYR 11 1.034 2.009 2.232
91 HD1 TYR 11 HD2 TYR 11 -0.413 -1.068 3.810
92 HD2 TYR 11 HD1 TYR 11 -0.106 3.202 4.077
93 HE1 TYR 11 HE2 TYR 11 -1.311 -1.148 6.108
94 HE2 TYR 11 HE1 TYR 11 -0.999 3.123 6.378
95 HH TYR 11 HH TYR 11 -1.774 1.833 8.012
96 H ILE 12 H ILE 12 -0.120 3.136 -0.128
97 HA ILE 12 HA ILE 12 -1.746 5.137 1.298
98 HB ILE 12 HB ILE 12 0.214 5.348 -0.930
99 HG12 ILE 12 2HG1 ILE 12 1.112 7.295 0.521
100 HG13 ILE 12 1HG1 ILE 12 -0.100 6.899 1.724
101 HG21 ILE 12 1HG2 ILE 12 -1.715 7.657 -0.291
102 HG22 ILE 12 2HG2 ILE 12 -0.254 7.786 -1.308
103 HG23 ILE 12 3HG2 ILE 12 -1.599 6.768 -1.830
104 HD11 ILE 12 1HD1 ILE 12 2.228 5.080 0.816
105 HD12 ILE 12 2HD1 ILE 12 1.051 4.653 2.094
106 HD13 ILE 12 3HD1 ILE 12 2.154 6.024 2.316
107 H GLN 13 H GLN 13 -1.795 3.639 -1.952
108 HA GLN 13 HA GLN 13 -4.426 4.595 -2.600
109 HB2 GLN 13 1HB GLN 13 -4.470 3.000 -4.407
110 HB3 GLN 13 2HB GLN 13 -2.982 3.893 -4.417
111 HG2 GLN 13 2HG GLN 13 -1.820 1.886 -3.379
112 HG3 GLN 13 1HG GLN 13 -3.327 0.987 -3.390
113 HE21 GLN 13 1HE2 GLN 13 -3.838 -0.114 -5.259
114 HE22 GLN 13 2HE2 GLN 13 -2.886 0.020 -6.822
115 H LYS 14 H LYS 14 -3.372 1.732 -0.698
116 HA LYS 14 HA LYS 14 -5.991 0.454 -0.641
117 HB2 LYS 14 2HB LYS 14 -3.905 -0.755 -0.121
118 HB3 LYS 14 1HB LYS 14 -3.715 0.175 1.377
119 HG2 LYS 14 2HG LYS 14 -5.869 -0.890 2.231
120 HG3 LYS 14 1HG LYS 14 -6.044 -1.726 0.693
121 HD2 LYS 14 2HD LYS 14 -5.164 -3.321 2.244
122 HD3 LYS 14 1HD LYS 14 -3.869 -2.962 1.110
123 HE2 LYS 14 2HE LYS 14 -2.803 -1.409 2.835
124 HE3 LYS 14 1HE LYS 14 -4.130 -1.743 3.956
125 HZ2 LYS 14 1HZ LYS 14 -2.215 -3.739 2.880
126 HZ3 LYS 14 2HZ LYS 14 -2.194 -3.102 4.386
127 H ASN 15 H ASN 15 -4.655 3.021 1.345
128 HA ASN 15 HA ASN 15 -5.943 3.118 3.809
129 HB2 ASN 15 1HB ASN 15 -4.225 4.725 2.629
130 HB3 ASN 15 2HB ASN 15 -5.692 5.513 2.010
131 HD21 ASN 15 1HD2 ASN 15 -4.939 7.402 3.087
132 HD22 ASN 15 2HD2 ASN 15 -5.136 7.605 4.901
133 H GLN 16 H GLN 16 -7.231 4.259 0.843
134 HA GLN 16 HA GLN 16 -9.677 5.472 1.911
135 HB2 GLN 16 1HB GLN 16 -9.881 6.387 -0.216
136 HB3 GLN 16 2HB GLN 16 -8.166 6.258 -0.004
137 HG2 GLN 16 2HG GLN 16 -8.281 4.012 -1.359
138 HG3 GLN 16 1HG GLN 16 -9.942 4.399 -1.740
139 HE21 GLN 16 2HE2 GLN 16 -10.344 6.127 -3.220
140 HE22 GLN 16 1HE2 GLN 16 -8.992 6.860 -4.220
141 H ASN 17 H ASN 17 -9.154 2.361 1.782
142 HA ASN 17 HA ASN 17 -10.416 0.486 2.128
143 HB2 ASN 17 2HB ASN 17 -12.722 0.376 2.665
144 HB3 ASN 17 1HB ASN 17 -11.850 1.529 3.620
145 HD21 ASN 17 1HD2 ASN 17 -12.711 3.581 3.789
146 HD22 ASN 17 2HD2 ASN 17 -14.204 4.130 2.875
147 H LEU 18 H LEU 18 -9.320 0.468 -0.352
148 HA LEU 18 HA LEU 18 -11.012 0.330 -2.480
149 HB2 LEU 18 2HB LEU 18 -8.724 -1.599 -2.013
150 HB3 LEU 18 1HB LEU 18 -9.437 -1.242 -3.578
151 HG LEU 18 HG LEU 18 -8.201 0.919 -1.791
152 HD11 LEU 18 1HD2 LEU 18 -6.536 -0.832 -2.339
153 HD12 LEU 18 2HD2 LEU 18 -6.151 0.686 -3.185
154 HD13 LEU 18 3HD2 LEU 18 -6.905 -0.673 -4.079
155 HD21 LEU 18 1HD1 LEU 18 -8.925 1.036 -4.767
156 HD22 LEU 18 2HD1 LEU 18 -8.033 2.292 -3.852
157 HD23 LEU 18 3HD1 LEU 18 -9.709 1.919 -3.427
158 H PHE 19 H PHE 19 -10.339 -2.570 -0.519
159 HA PHE 19 HA PHE 19 -12.261 -4.250 -1.896
160 HB2 PHE 19 2HB PHE 19 -11.589 -5.963 -0.247
161 HB3 PHE 19 1HB PHE 19 -10.221 -5.253 -1.048
162 HD1 PHE 19 HD2 PHE 19 -11.984 -5.659 2.206
163 HD2 PHE 19 HD1 PHE 19 -8.611 -3.795 0.287
164 HE1 PHE 19 HE2 PHE 19 -10.969 -5.214 4.401
165 HE2 PHE 19 HE1 PHE 19 -7.613 -3.361 2.492
166 HZ PHE 19 HZ PHE 19 -8.784 -4.066 4.550
167 H LYS 20 H LYS 20 -13.856 -5.683 -0.257
168 HA LYS 20 HA LYS 20 -15.836 -3.770 0.750
169 HB2 LYS 20 2HB LYS 20 -16.444 -5.666 -0.691
170 HB3 LYS 20 1HB LYS 20 -15.961 -6.753 0.615
171 HG2 LYS 20 1HG LYS 20 -17.765 -5.761 2.094
172 HG3 LYS 20 2HG LYS 20 -18.205 -4.643 0.800
173 HD2 LYS 20 1HD LYS 20 -18.799 -6.607 -0.689
174 HD3 LYS 20 2HD LYS 20 -18.353 -7.724 0.606
175 HE2 LYS 20 2HE LYS 20 -20.160 -6.722 2.093
176 HE3 LYS 20 1HE LYS 20 -20.607 -5.605 0.795
177 HZ2 LYS 20 1HZ LYS 20 -21.113 -7.534 -0.599
178 HZ3 LYS 20 2HZ LYS 20 -20.700 -8.565 0.600
Start of MODEL 15
1 H1 LYS 1 H LYS 1 16.182 -4.032 0.014
2 HA LYS 1 HA LYS 1 14.995 -1.716 1.250
3 HB2 LYS 1 1HB LYS 1 14.737 -0.332 -0.817
4 HB3 LYS 1 2HB LYS 1 16.296 -0.210 -0.055
5 HG2 LYS 1 2HG LYS 1 15.926 -2.077 -2.476
6 HG3 LYS 1 1HG LYS 1 16.039 -0.340 -2.697
7 HD2 LYS 1 2HD LYS 1 18.267 -0.302 -1.530
8 HD3 LYS 1 1HD LYS 1 18.220 -2.042 -1.320
9 HE2 LYS 1 1HE LYS 1 18.186 -0.615 -4.069
10 HE3 LYS 1 2HE LYS 1 19.634 -1.227 -3.272
11 HZ2 LYS 1 1HZ LYS 1 18.834 -2.799 -4.859
12 HZ3 LYS 1 2HZ LYS 1 18.736 -3.452 -3.363
13 H MET 2 H MET 2 13.568 -3.334 1.649
14 HA MET 2 HA MET 2 11.752 -4.114 -0.519
15 HB2 MET 2 2HB MET 2 12.085 -6.494 -0.537
16 HB3 MET 2 1HB MET 2 13.653 -5.771 -0.716
17 HG2 MET 2 1HG MET 2 14.217 -7.446 0.738
18 HG3 MET 2 2HG MET 2 13.884 -6.190 1.940
19 HE1 MET 2 1HE MET 2 12.443 -9.435 3.676
20 HE2 MET 2 2HE MET 2 13.485 -7.994 3.867
21 HE3 MET 2 3HE MET 2 13.934 -9.277 2.700
22 H ASN 3 H ASN 3 10.963 -2.499 0.991
23 HA ASN 3 HA ASN 3 8.921 -3.723 2.702
24 HB2 ASN 3 1HB ASN 3 10.749 -1.534 3.932
25 HB3 ASN 3 2HB ASN 3 9.203 -2.004 4.600
26 HD21 ASN 3 1HD2 ASN 3 12.519 -2.727 4.631
27 HD22 ASN 3 2HD2 ASN 3 12.394 -4.250 5.647
28 H MET 4 H MET 4 10.165 -0.394 1.854
29 HA MET 4 HA MET 4 7.517 0.539 1.341
30 HB2 MET 4 2HB MET 4 9.981 1.760 -0.027
31 HB3 MET 4 1HB MET 4 8.486 2.566 0.408
32 HG2 MET 4 2HG MET 4 9.165 2.076 2.931
33 HG3 MET 4 1HG MET 4 10.732 1.648 2.271
34 HE1 MET 4 1HE MET 4 7.959 4.588 1.737
35 HE2 MET 4 2HE MET 4 8.914 5.922 2.448
36 HE3 MET 4 3HE MET 4 8.457 4.518 3.457
37 H LEU 5 H LEU 5 8.326 -1.810 -0.312
38 HA LEU 5 HA LEU 5 7.923 -0.995 -3.153
39 HB2 LEU 5 2HB LEU 5 8.683 -3.685 -1.905
40 HB3 LEU 5 1HB LEU 5 8.438 -3.436 -3.626
41 HG LEU 5 HG LEU 5 10.627 -2.182 -1.865
42 HD11 LEU 5 1HD1 LEU 5 10.700 -4.254 -4.127
43 HD12 LEU 5 2HD1 LEU 5 10.781 -4.613 -2.384
44 HD13 LEU 5 3HD1 LEU 5 12.094 -3.678 -3.151
45 HD21 LEU 5 1HD2 LEU 5 10.183 -1.751 -4.896
46 HD22 LEU 5 2HD2 LEU 5 10.113 -0.503 -3.625
47 HD23 LEU 5 3HD2 LEU 5 11.654 -1.295 -3.990
48 H LYS 6 H LYS 6 6.723 -3.868 -1.471
49 HA LYS 6 HA LYS 6 4.032 -3.543 -2.511
50 HB2 LYS 6 2HB LYS 6 5.062 -5.464 -0.318
51 HB3 LYS 6 1HB LYS 6 3.424 -5.509 -0.951
52 HG2 LYS 6 1HG LYS 6 4.288 -5.970 -3.273
53 HG3 LYS 6 2HG LYS 6 5.944 -5.961 -2.662
54 HD2 LYS 6 1HD LYS 6 5.389 -7.887 -1.115
55 HD3 LYS 6 2HD LYS 6 3.731 -7.901 -1.727
56 HE2 LYS 6 2HE LYS 6 4.596 -8.412 -4.065
57 HE3 LYS 6 1HE LYS 6 6.257 -8.399 -3.453
58 HZ2 LYS 6 1HZ LYS 6 5.406 -10.620 -3.562
59 HZ3 LYS 6 2HZ LYS 6 5.700 -10.236 -2.000
60 H GLU 7 H GLU 7 5.409 -2.525 0.585
61 HA GLU 7 HA GLU 7 2.747 -1.987 1.776
62 HB2 GLU 7 1HB GLU 7 3.752 -1.662 3.716
63 HB3 GLU 7 2HB GLU 7 5.210 -2.277 2.970
64 HG2 GLU 7 1HG GLU 7 5.837 0.199 2.503
65 HG3 GLU 7 2HG GLU 7 4.466 0.663 3.488
66 HE2 GLU 7 HE2 GLU 7 7.533 0.306 3.496
67 H ASN 8 H ASN 8 5.100 0.119 0.049
68 HA ASN 8 HA ASN 8 3.393 2.471 0.273
69 HB2 ASN 8 2HB ASN 8 5.757 2.517 -0.741
70 HB3 ASN 8 1HB ASN 8 5.068 1.769 -2.222
71 HD21 ASN 8 1HD2 ASN 8 5.008 4.693 -0.140
72 HD22 ASN 8 2HD2 ASN 8 4.532 5.835 -1.494
73 H VAL 9 H VAL 9 3.398 0.008 -2.350
74 HA VAL 9 HA VAL 9 1.155 1.023 -3.772
75 HB VAL 9 HB VAL 9 3.228 -0.871 -4.055
76 HG11 VAL 9 1HG1 VAL 9 2.271 -3.013 -4.800
77 HG12 VAL 9 2HG1 VAL 9 1.809 -2.766 -3.105
78 HG13 VAL 9 3HG1 VAL 9 0.614 -2.496 -4.392
79 HG21 VAL 9 1HG2 VAL 9 0.924 -0.344 -5.971
80 HG22 VAL 9 2HG2 VAL 9 2.410 0.626 -5.754
81 HG23 VAL 9 3HG2 VAL 9 2.535 -1.038 -6.361
82 H ASP 10 H ASP 10 0.891 -0.161 -0.656
83 HA ASP 10 HA ASP 10 -1.699 -1.508 -0.862
84 HB2 ASP 10 1HB ASP 10 0.331 -2.734 0.402
85 HB3 ASP 10 2HB ASP 10 0.026 -1.492 1.594
86 HD2 ASP 10 HD2 ASP 10 -1.083 -4.238 0.100
87 H TYR 11 H TYR 11 0.392 1.014 0.482
88 HA TYR 11 HA TYR 11 -1.490 2.413 2.196
89 HB2 TYR 11 1HB TYR 11 1.158 2.550 2.144
90 HB3 TYR 11 2HB TYR 11 0.898 3.670 0.871
91 HD1 TYR 11 HD1 TYR 11 -0.014 3.017 4.448
92 HD2 TYR 11 HD2 TYR 11 0.085 5.962 1.334
93 HE1 TYR 11 HE1 TYR 11 -0.405 4.796 6.119
94 HE2 TYR 11 HE2 TYR 11 -0.306 7.741 3.002
95 HH TYR 11 HH TYR 11 -0.689 6.972 6.464
96 H ILE 12 H ILE 12 -0.715 2.865 -1.225
97 HA ILE 12 HA ILE 12 -2.243 5.368 -1.537
98 HB ILE 12 HB ILE 12 -0.607 3.760 -3.433
99 HG12 ILE 12 1HG1 ILE 12 0.333 6.075 -4.038
100 HG13 ILE 12 2HG1 ILE 12 -0.686 6.777 -2.796
101 HG21 ILE 12 1HG2 ILE 12 -2.625 4.122 -4.819
102 HG22 ILE 12 2HG2 ILE 12 -1.305 5.130 -5.417
103 HG23 ILE 12 3HG2 ILE 12 -2.610 5.863 -4.447
104 HD11 ILE 12 1HD1 ILE 12 1.596 4.740 -2.328
105 HD12 ILE 12 2HD1 ILE 12 0.634 5.508 -1.032
106 HD13 ILE 12 3HD1 ILE 12 1.687 6.493 -2.064
107 H GLN 13 H GLN 13 -2.597 1.995 -2.672
108 HA GLN 13 HA GLN 13 -5.339 2.114 -3.365
109 HB2 GLN 13 1HB GLN 13 -3.908 -0.335 -2.360
110 HB3 GLN 13 2HB GLN 13 -5.470 -0.289 -3.083
111 HG2 GLN 13 2HG GLN 13 -4.548 0.671 -5.222
112 HG3 GLN 13 1HG GLN 13 -2.925 0.579 -4.568
113 HE21 GLN 13 1HE2 GLN 13 -1.856 -1.380 -4.854
114 HE22 GLN 13 2HE2 GLN 13 -2.661 -2.907 -5.475
115 H LYS 14 H LYS 14 -3.950 1.817 -0.077
116 HA LYS 14 HA LYS 14 -6.503 1.181 1.199
117 HB2 LYS 14 2HB LYS 14 -4.378 0.598 2.244
118 HB3 LYS 14 1HB LYS 14 -3.944 2.305 2.456
119 HG2 LYS 14 1HG LYS 14 -5.863 2.572 4.037
120 HG3 LYS 14 2HG LYS 14 -6.367 0.905 3.774
121 HD2 LYS 14 1HD LYS 14 -3.660 1.785 4.988
122 HD3 LYS 14 2HD LYS 14 -5.087 1.353 5.921
123 HE2 LYS 14 1HE LYS 14 -5.035 -1.000 4.945
124 HE3 LYS 14 2HE LYS 14 -3.567 -0.588 4.047
125 HZ2 LYS 14 1HZ LYS 14 -2.451 -0.145 6.129
126 HZ3 LYS 14 2HZ LYS 14 -3.030 -1.673 6.090
127 H ASN 15 H ASN 15 -4.829 4.291 0.671
128 HA ASN 15 HA ASN 15 -6.478 6.092 2.164
129 HB2 ASN 15 2HB ASN 15 -4.237 6.560 0.908
130 HB3 ASN 15 1HB ASN 15 -5.290 6.763 -0.514
131 HD21 ASN 15 1HD2 ASN 15 -4.434 8.899 -0.632
132 HD22 ASN 15 2HD2 ASN 15 -5.062 10.227 0.469
133 H GLN 16 H GLN 16 -6.644 5.327 -1.237
134 HA GLN 16 HA GLN 16 -9.205 6.599 -1.763
135 HB2 GLN 16 2HB GLN 16 -8.606 6.303 -3.995
136 HB3 GLN 16 1HB GLN 16 -7.084 6.512 -3.185
137 HG2 GLN 16 1HG GLN 16 -6.812 3.924 -3.202
138 HG3 GLN 16 2HG GLN 16 -8.242 3.825 -4.206
139 HE21 GLN 16 2HE2 GLN 16 -8.072 4.497 -6.401
140 HE22 GLN 16 1HE2 GLN 16 -6.448 4.859 -7.174
141 H ASN 17 H ASN 17 -8.529 3.392 -0.669
142 HA ASN 17 HA ASN 17 -11.313 2.581 -0.891
143 HB2 ASN 17 2HB ASN 17 -10.427 1.935 -3.207
144 HB3 ASN 17 1HB ASN 17 -9.344 0.796 -2.449
145 HD21 ASN 17 2HD2 ASN 17 -12.403 1.184 -3.766
146 HD22 ASN 17 1HD2 ASN 17 -13.148 -0.376 -3.148
147 H LEU 18 H LEU 18 -10.228 2.941 1.543
148 HA LEU 18 HA LEU 18 -8.803 1.398 2.937
149 HB2 LEU 18 2HB LEU 18 -11.701 2.020 3.708
150 HB3 LEU 18 1HB LEU 18 -10.468 1.607 4.873
151 HG LEU 18 HG LEU 18 -10.015 3.986 2.982
152 HD11 LEU 18 1HD2 LEU 18 -11.028 5.515 4.623
153 HD12 LEU 18 2HD2 LEU 18 -12.229 4.376 3.983
154 HD13 LEU 18 3HD2 LEU 18 -11.567 4.131 5.623
155 HD21 LEU 18 1HD1 LEU 18 -8.957 3.453 5.811
156 HD22 LEU 18 2HD1 LEU 18 -8.064 3.174 4.296
157 HD23 LEU 18 3HD1 LEU 18 -8.540 4.825 4.735
158 H PHE 19 H PHE 19 -11.890 0.023 1.907
159 HA PHE 19 HA PHE 19 -11.568 -2.552 3.252
160 HB2 PHE 19 1HB PHE 19 -13.690 -3.072 2.101
161 HB3 PHE 19 2HB PHE 19 -13.731 -1.661 3.128
162 HD1 PHE 19 HD2 PHE 19 -13.844 0.700 2.045
163 HD2 PHE 19 HD1 PHE 19 -14.238 -2.891 -0.298
164 HE1 PHE 19 HE2 PHE 19 -14.957 1.969 0.264
165 HE2 PHE 19 HE1 PHE 19 -15.363 -1.601 -2.066
166 HZ PHE 19 HZ PHE 19 -15.726 0.828 -1.788
167 H LYS 20 H LYS 20 -9.221 -2.430 1.871
168 HA LYS 20 HA LYS 20 -9.260 -3.555 -0.764
169 HB2 LYS 20 1HB LYS 20 -7.516 -2.100 0.159
170 HB3 LYS 20 2HB LYS 20 -7.018 -3.431 1.208
171 HG2 LYS 20 1HG LYS 20 -6.425 -4.804 -0.837
172 HG3 LYS 20 2HG LYS 20 -6.961 -3.480 -1.874
173 HD2 LYS 20 1HD LYS 20 -5.212 -1.967 -0.850
174 HD3 LYS 20 2HD LYS 20 -4.657 -3.267 0.192
175 HE2 LYS 20 2HE LYS 20 -4.594 -3.358 -2.905
176 HE3 LYS 20 1HE LYS 20 -3.245 -2.844 -1.898
177 HZ2 LYS 20 1HZ LYS 20 -3.052 -5.140 -2.559
178 HZ3 LYS 20 2HZ LYS 20 -4.476 -5.538 -1.862
Start of MODEL 16
1 H1 LYS 1 H LYS 1 17.394 -2.322 -1.853
2 HA LYS 1 HA LYS 1 15.388 -1.149 -3.557
3 HB2 LYS 1 2HB LYS 1 13.992 -3.186 -3.922
4 HB3 LYS 1 1HB LYS 1 15.355 -3.032 -4.997
5 HG2 LYS 1 1HG LYS 1 15.601 -4.857 -2.531
6 HG3 LYS 1 2HG LYS 1 14.647 -5.368 -3.912
7 HD2 LYS 1 1HD LYS 1 16.687 -5.040 -5.426
8 HD3 LYS 1 2HD LYS 1 17.626 -4.606 -4.010
9 HE2 LYS 1 1HE LYS 1 18.141 -6.898 -4.463
10 HE3 LYS 1 2HE LYS 1 17.172 -6.900 -2.992
11 HZ2 LYS 1 1HZ LYS 1 15.251 -7.533 -4.321
12 HZ3 LYS 1 2HZ LYS 1 16.467 -8.610 -4.501
13 H MET 2 H MET 2 15.139 -0.033 -1.695
14 HA MET 2 HA MET 2 13.757 -1.342 0.534
15 HB2 MET 2 2HB MET 2 15.340 -1.032 2.303
16 HB3 MET 2 1HB MET 2 16.189 -1.812 1.008
17 HG2 MET 2 1HG MET 2 17.818 -0.334 1.628
18 HG3 MET 2 2HG MET 2 17.044 0.680 0.400
19 HE1 MET 2 1HE MET 2 18.930 1.885 2.655
20 HE2 MET 2 2HE MET 2 18.047 2.915 1.484
21 HE3 MET 2 3HE MET 2 17.975 3.282 3.234
22 H ASN 3 H ASN 3 12.446 0.034 -0.848
23 HA ASN 3 HA ASN 3 11.772 2.515 0.585
24 HB2 ASN 3 2HB ASN 3 12.114 2.597 -2.506
25 HB3 ASN 3 1HB ASN 3 11.278 3.825 -1.582
26 HD21 ASN 3 2HD2 ASN 3 14.342 2.855 -2.709
27 HD22 ASN 3 1HD2 ASN 3 15.305 4.149 -1.836
28 H MET 4 H MET 4 10.786 0.273 -2.087
29 HA MET 4 HA MET 4 7.966 0.725 -1.419
30 HB2 MET 4 2HB MET 4 7.348 -0.910 -3.109
31 HB3 MET 4 1HB MET 4 8.279 0.457 -3.697
32 HG2 MET 4 2HG MET 4 10.306 -0.812 -3.790
33 HG3 MET 4 1HG MET 4 9.592 -2.172 -2.915
34 HE1 MET 4 1HE MET 4 10.346 -3.926 -4.851
35 HE2 MET 4 2HE MET 4 10.014 -3.683 -6.592
36 HE3 MET 4 3HE MET 4 11.127 -2.576 -5.734
37 H LEU 5 H LEU 5 9.330 -0.146 0.880
38 HA LEU 5 HA LEU 5 8.808 -3.026 1.359
39 HB2 LEU 5 2HB LEU 5 10.266 -3.210 3.093
40 HB3 LEU 5 1HB LEU 5 11.023 -2.520 1.700
41 HG LEU 5 HG LEU 5 10.453 -0.191 2.928
42 HD11 LEU 5 1HD2 LEU 5 9.310 -1.323 4.959
43 HD12 LEU 5 2HD2 LEU 5 10.690 -0.296 5.392
44 HD13 LEU 5 3HD2 LEU 5 10.860 -2.077 5.355
45 HD21 LEU 5 1HD1 LEU 5 12.649 -1.011 2.225
46 HD22 LEU 5 2HD1 LEU 5 12.776 -2.075 3.641
47 HD23 LEU 5 3HD1 LEU 5 12.790 -0.283 3.843
48 H LYS 6 H LYS 6 8.564 0.053 3.072
49 HA LYS 6 HA LYS 6 6.028 -0.636 4.372
50 HB2 LYS 6 1HB LYS 6 7.932 0.723 5.464
51 HB3 LYS 6 2HB LYS 6 7.543 2.062 4.394
52 HG2 LYS 6 1HG LYS 6 5.211 2.169 5.412
53 HG3 LYS 6 2HG LYS 6 5.601 0.792 6.445
54 HD2 LYS 6 1HD LYS 6 7.464 2.128 7.524
55 HD3 LYS 6 2HD LYS 6 7.080 3.504 6.481
56 HE2 LYS 6 1HE LYS 6 4.741 3.609 7.490
57 HE3 LYS 6 2HE LYS 6 5.137 2.241 8.540
58 HZ2 LYS 6 1HZ LYS 6 6.509 4.872 8.523
59 HZ3 LYS 6 2HZ LYS 6 5.429 4.361 9.638
60 H GLU 7 H GLU 7 7.013 1.385 1.627
61 HA GLU 7 HA GLU 7 4.358 2.620 1.196
62 HB2 GLU 7 2HB GLU 7 6.593 2.219 -0.904
63 HB3 GLU 7 1HB GLU 7 5.157 3.195 -1.141
64 HG2 GLU 7 2HG GLU 7 5.870 4.781 0.672
65 HG3 GLU 7 1HG GLU 7 7.296 3.801 1.000
66 HE2 GLU 7 HE2 GLU 7 7.113 6.220 -2.232
67 H ASN 8 H ASN 8 5.776 -0.433 -0.114
68 HA ASN 8 HA ASN 8 3.416 -0.999 -1.732
69 HB2 ASN 8 1HB ASN 8 5.579 -2.368 -1.857
70 HB3 ASN 8 2HB ASN 8 5.178 -3.086 -0.267
71 HD21 ASN 8 1HD2 ASN 8 4.145 -5.039 -0.460
72 HD22 ASN 8 2HD2 ASN 8 3.274 -5.643 -1.957
73 H VAL 9 H VAL 9 4.175 -2.029 1.630
74 HA VAL 9 HA VAL 9 1.634 -3.161 2.222
75 HB VAL 9 HB VAL 9 4.255 -3.015 3.287
76 HG11 VAL 9 1HG1 VAL 9 4.122 -2.494 5.675
77 HG12 VAL 9 2HG1 VAL 9 3.677 -1.032 4.777
78 HG13 VAL 9 3HG1 VAL 9 2.413 -2.009 5.554
79 HG21 VAL 9 1HG2 VAL 9 1.828 -4.406 4.484
80 HG22 VAL 9 2HG2 VAL 9 3.559 -4.789 4.768
81 HG23 VAL 9 3HG2 VAL 9 2.863 -4.981 3.146
82 H ASP 10 H ASP 10 1.850 0.029 1.468
83 HA ASP 10 HA ASP 10 -0.063 1.124 3.390
84 HB2 ASP 10 2HB ASP 10 2.340 2.267 3.187
85 HB3 ASP 10 1HB ASP 10 1.710 2.789 1.639
86 HD2 ASP 10 HD2 ASP 10 0.330 4.356 5.097
87 H TYR 11 H TYR 11 1.104 0.572 0.096
88 HA TYR 11 HA TYR 11 -1.025 1.788 -1.461
89 HB2 TYR 11 1HB TYR 11 1.422 1.075 -2.206
90 HB3 TYR 11 2HB TYR 11 0.718 -0.477 -2.390
91 HD1 TYR 11 HD1 TYR 11 0.404 3.072 -3.533
92 HD2 TYR 11 HD2 TYR 11 -0.822 -0.969 -4.279
93 HE1 TYR 11 HE1 TYR 11 -0.411 3.733 -5.770
94 HE2 TYR 11 HE2 TYR 11 -1.640 -0.310 -6.513
95 HH TYR 11 HH TYR 11 -1.378 3.060 -7.654
96 H ILE 12 H ILE 12 -0.708 -1.494 -0.174
97 HA ILE 12 HA ILE 12 -2.923 -2.633 -1.745
98 HB ILE 12 HB ILE 12 -1.093 -3.787 0.294
99 HG12 ILE 12 1HG1 ILE 12 -0.913 -5.684 -1.436
100 HG13 ILE 12 2HG1 ILE 12 -1.989 -4.784 -2.488
101 HG21 ILE 12 1HG2 ILE 12 -3.241 -4.657 1.152
102 HG22 ILE 12 2HG2 ILE 12 -2.334 -5.970 0.398
103 HG23 ILE 12 3HG2 ILE 12 -3.703 -5.226 -0.471
104 HD11 ILE 12 1HD1 ILE 12 0.401 -4.573 -3.158
105 HD12 ILE 12 2HD1 ILE 12 -0.213 -2.971 -2.706
106 HD13 ILE 12 3HD1 ILE 12 0.827 -3.889 -1.578
107 H GLN 13 H GLN 13 -2.422 -1.717 1.677
108 HA GLN 13 HA GLN 13 -5.195 -1.865 2.396
109 HB2 GLN 13 2HB GLN 13 -4.668 -0.632 4.390
110 HB3 GLN 13 1HB GLN 13 -3.551 -1.935 4.166
111 HG2 GLN 13 2HG GLN 13 -1.859 -0.234 3.271
112 HG3 GLN 13 1HG GLN 13 -3.006 1.057 3.592
113 HE21 GLN 13 1HE2 GLN 13 -1.901 2.132 5.182
114 HE22 GLN 13 2HE2 GLN 13 -1.366 1.380 6.768
115 H LYS 14 H LYS 14 -3.344 0.744 0.768
116 HA LYS 14 HA LYS 14 -5.427 2.766 1.070
117 HB2 LYS 14 2HB LYS 14 -3.091 3.364 0.545
118 HB3 LYS 14 1HB LYS 14 -3.220 2.592 -1.045
119 HG2 LYS 14 1HG LYS 14 -5.013 4.330 -1.648
120 HG3 LYS 14 2HG LYS 14 -4.814 5.033 -0.047
121 HD2 LYS 14 1HD LYS 14 -3.557 6.411 -1.531
122 HD3 LYS 14 2HD LYS 14 -2.369 5.526 -0.583
123 HE2 LYS 14 2HE LYS 14 -2.030 3.915 -2.544
124 HE3 LYS 14 1HE LYS 14 -3.251 4.796 -3.471
125 HZ2 LYS 14 1HZ LYS 14 -1.850 6.782 -3.281
126 HZ3 LYS 14 2HZ LYS 14 -0.722 5.955 -2.436
127 H ASN 15 H ASN 15 -4.760 0.442 -1.557
128 HA ASN 15 HA ASN 15 -6.662 1.219 -3.541
129 HB2 ASN 15 2HB ASN 15 -4.757 -0.536 -3.710
130 HB3 ASN 15 1HB ASN 15 -5.924 -1.627 -2.923
131 HD21 ASN 15 1HD2 ASN 15 -5.725 -2.953 -4.776
132 HD22 ASN 15 2HD2 ASN 15 -6.599 -2.548 -6.340
133 H GLN 16 H GLN 16 -6.970 -1.285 -1.135
134 HA GLN 16 HA GLN 16 -9.697 -2.023 -1.645
135 HB2 GLN 16 1HB GLN 16 -9.292 -3.726 -0.159
136 HB3 GLN 16 2HB GLN 16 -7.720 -3.399 -0.815
137 HG2 GLN 16 1HG GLN 16 -7.180 -2.013 1.292
138 HG3 GLN 16 2HG GLN 16 -8.710 -2.510 1.986
139 HE21 GLN 16 2HE2 GLN 16 -8.924 -4.701 2.686
140 HE22 GLN 16 1HE2 GLN 16 -7.469 -5.812 2.819
141 H ASN 17 H ASN 17 -8.447 0.331 0.657
142 HA ASN 17 HA ASN 17 -10.973 0.611 2.098
143 HB2 ASN 17 1HB ASN 17 -8.553 2.492 2.142
144 HB3 ASN 17 2HB ASN 17 -9.983 2.704 3.136
145 HD21 ASN 17 2HD2 ASN 17 -7.693 2.597 4.397
146 HD22 ASN 17 1HD2 ASN 17 -7.540 1.022 5.326
147 H LEU 18 H LEU 18 -9.703 2.421 -0.762
148 HA LEU 18 HA LEU 18 -11.556 4.461 -0.875
149 HB2 LEU 18 2HB LEU 18 -10.425 2.882 -3.230
150 HB3 LEU 18 1HB LEU 18 -11.111 4.488 -3.354
151 HG LEU 18 HG LEU 18 -8.770 3.913 -1.462
152 HD11 LEU 18 1HD2 LEU 18 -8.491 4.736 -4.402
153 HD12 LEU 18 2HD2 LEU 18 -7.170 4.589 -3.199
154 HD13 LEU 18 3HD2 LEU 18 -8.071 3.147 -3.704
155 HD21 LEU 18 1HD1 LEU 18 -9.702 6.535 -2.678
156 HD22 LEU 18 2HD1 LEU 18 -8.268 6.285 -1.619
157 HD23 LEU 18 3HD1 LEU 18 -9.896 5.988 -0.985
158 H PHE 19 H PHE 19 -12.059 1.479 -2.800
159 HA PHE 19 HA PHE 19 -14.861 1.967 -3.218
160 HB2 PHE 19 1HB PHE 19 -14.896 -0.244 -4.295
161 HB3 PHE 19 2HB PHE 19 -13.743 0.895 -4.942
162 HD1 PHE 19 HD2 PHE 19 -14.098 -2.335 -3.085
163 HD2 PHE 19 HD1 PHE 19 -11.310 0.406 -4.884
164 HE1 PHE 19 HE2 PHE 19 -12.375 -4.092 -3.115
165 HE2 PHE 19 HE1 PHE 19 -9.615 -1.375 -4.941
166 HZ PHE 19 HZ PHE 19 -10.138 -3.621 -4.055
167 H LYS 20 H LYS 20 -13.386 -0.615 -1.234
168 HA LYS 20 HA LYS 20 -15.945 -1.100 0.163
169 HB2 LYS 20 2HB LYS 20 -14.437 -2.923 -0.639
170 HB3 LYS 20 1HB LYS 20 -13.345 -2.491 0.671
171 HG2 LYS 20 2HG LYS 20 -16.284 -3.353 1.060
172 HG3 LYS 20 1HG LYS 20 -14.947 -4.486 0.986
173 HD2 LYS 20 2HD LYS 20 -13.879 -3.413 3.001
174 HD3 LYS 20 1HD LYS 20 -15.234 -2.308 3.156
175 HE2 LYS 20 1HE LYS 20 -15.476 -5.389 3.315
176 HE3 LYS 20 2HE LYS 20 -15.308 -4.320 4.705
177 HZ2 LYS 20 1HZ LYS 20 -17.549 -4.211 2.767
178 HZ3 LYS 20 2HZ LYS 20 -17.375 -3.222 4.056
Start of MODEL 17
1 H1 LYS 1 H LYS 1 16.889 -2.130 0.147
2 HA LYS 1 HA LYS 1 15.170 -0.107 1.260
3 HB2 LYS 1 1HB LYS 1 14.643 1.060 -0.993
4 HB3 LYS 1 2HB LYS 1 15.981 1.605 -0.015
5 HG2 LYS 1 1HG LYS 1 16.716 1.809 -2.215
6 HG3 LYS 1 2HG LYS 1 17.639 0.487 -1.530
7 HD2 LYS 1 2HD LYS 1 16.279 -1.179 -2.776
8 HD3 LYS 1 1HD LYS 1 15.179 0.085 -3.352
9 HE2 LYS 1 1HE LYS 1 17.111 1.163 -4.616
10 HE3 LYS 1 2HE LYS 1 18.198 -0.106 -4.033
11 HZ2 LYS 1 1HZ LYS 1 15.775 -0.564 -5.687
12 HZ3 LYS 1 2HZ LYS 1 16.776 -1.738 -5.147
13 H MET 2 H MET 2 14.200 -2.032 1.744
14 HA MET 2 HA MET 2 12.609 -3.307 -0.370
15 HB2 MET 2 2HB MET 2 13.503 -5.536 -0.267
16 HB3 MET 2 1HB MET 2 14.864 -4.473 -0.519
17 HG2 MET 2 1HG MET 2 15.467 -4.656 1.947
18 HG3 MET 2 2HG MET 2 14.160 -5.841 2.151
19 HE1 MET 2 1HE MET 2 17.260 -6.459 2.811
20 HE2 MET 2 2HE MET 2 17.417 -8.100 2.119
21 HE3 MET 2 3HE MET 2 15.943 -7.654 3.028
22 H ASN 3 H ASN 3 11.459 -1.892 1.078
23 HA ASN 3 HA ASN 3 9.709 -3.521 2.742
24 HB2 ASN 3 2HB ASN 3 11.417 -2.701 4.484
25 HB3 ASN 3 1HB ASN 3 10.998 -1.044 4.104
26 HD21 ASN 3 2HD2 ASN 3 9.115 -0.207 5.076
27 HD22 ASN 3 1HD2 ASN 3 8.070 -1.178 6.230
28 H MET 4 H MET 4 10.223 0.054 2.149
29 HA MET 4 HA MET 4 7.484 0.376 1.404
30 HB2 MET 4 2HB MET 4 9.702 2.276 0.436
31 HB3 MET 4 1HB MET 4 8.020 2.658 0.760
32 HG2 MET 4 2HG MET 4 8.541 2.094 3.284
33 HG3 MET 4 1HG MET 4 10.233 2.098 2.799
34 HE1 MET 4 1HE MET 4 9.051 4.115 5.010
35 HE2 MET 4 2HE MET 4 9.847 5.644 4.530
36 HE3 MET 4 3HE MET 4 10.768 4.111 4.497
37 H LEU 5 H LEU 5 8.829 -1.655 -0.239
38 HA LEU 5 HA LEU 5 8.577 -0.787 -3.078
39 HB2 LEU 5 2HB LEU 5 9.427 -3.432 -1.780
40 HB3 LEU 5 1HB LEU 5 9.283 -3.208 -3.517
41 HG LEU 5 HG LEU 5 11.251 -1.811 -1.620
42 HD11 LEU 5 1HD2 LEU 5 11.582 -3.870 -3.884
43 HD12 LEU 5 2HD2 LEU 5 12.894 -3.207 -2.856
44 HD13 LEU 5 3HD2 LEU 5 11.616 -4.219 -2.136
45 HD21 LEU 5 1HD1 LEU 5 10.980 -1.379 -4.670
46 HD22 LEU 5 2HD1 LEU 5 10.751 -0.152 -3.397
47 HD23 LEU 5 3HD1 LEU 5 12.358 -0.843 -3.667
48 H LYS 6 H LYS 6 7.425 -3.750 -1.508
49 HA LYS 6 HA LYS 6 4.791 -3.547 -2.730
50 HB2 LYS 6 2HB LYS 6 6.029 -5.738 -2.211
51 HB3 LYS 6 1HB LYS 6 5.675 -5.500 -0.503
52 HG2 LYS 6 1HG LYS 6 3.189 -5.598 -1.026
53 HG3 LYS 6 2HG LYS 6 3.558 -5.780 -2.743
54 HD2 LYS 6 1HD LYS 6 4.790 -7.940 -2.243
55 HD3 LYS 6 2HD LYS 6 4.417 -7.753 -0.526
56 HE2 LYS 6 1HE LYS 6 1.929 -7.852 -1.053
57 HE3 LYS 6 2HE LYS 6 2.301 -8.035 -2.774
58 HZ2 LYS 6 1HZ LYS 6 3.164 -9.908 -0.639
59 HZ3 LYS 6 2HZ LYS 6 3.505 -10.076 -2.229
60 H GLU 7 H GLU 7 5.994 -2.642 0.477
61 HA GLU 7 HA GLU 7 3.303 -2.209 1.638
62 HB2 GLU 7 2HB GLU 7 5.948 -0.938 2.601
63 HB3 GLU 7 1HB GLU 7 4.429 -0.830 3.451
64 HG2 GLU 7 2HG GLU 7 5.951 -3.465 2.948
65 HG3 GLU 7 1HG GLU 7 6.001 -2.524 4.425
66 HE2 GLU 7 HE2 GLU 7 2.902 -3.509 5.618
67 H ASN 8 H ASN 8 5.516 0.073 -0.115
68 HA ASN 8 HA ASN 8 3.660 2.299 0.251
69 HB2 ASN 8 1HB ASN 8 6.028 2.542 -0.741
70 HB3 ASN 8 2HB ASN 8 5.402 1.812 -2.254
71 HD21 ASN 8 1HD2 ASN 8 5.158 4.640 -0.065
72 HD22 ASN 8 2HD2 ASN 8 4.596 5.799 -1.372
73 H VAL 9 H VAL 9 3.876 -0.069 -2.447
74 HA VAL 9 HA VAL 9 1.567 0.803 -3.859
75 HB VAL 9 HB VAL 9 3.799 -0.906 -4.177
76 HG11 VAL 9 1HG2 VAL 9 3.025 -3.081 -5.027
77 HG12 VAL 9 2HG2 VAL 9 1.326 -2.712 -4.636
78 HG13 VAL 9 3HG2 VAL 9 2.513 -2.946 -3.335
79 HG21 VAL 9 1HG1 VAL 9 2.889 0.593 -5.832
80 HG22 VAL 9 2HG1 VAL 9 1.489 -0.482 -6.113
81 HG23 VAL 9 3HG1 VAL 9 3.156 -1.029 -6.501
82 H ASP 10 H ASP 10 1.357 -0.438 -0.783
83 HA ASP 10 HA ASP 10 -1.114 -1.993 -1.032
84 HB2 ASP 10 1HB ASP 10 0.990 -3.095 0.182
85 HB3 ASP 10 2HB ASP 10 0.655 -1.884 1.396
86 HD2 ASP 10 HD2 ASP 10 -0.562 -4.544 -0.275
87 H TYR 11 H TYR 11 0.787 0.607 0.452
88 HA TYR 11 HA TYR 11 -1.213 1.835 2.152
89 HB2 TYR 11 2HB TYR 11 1.436 2.139 2.139
90 HB3 TYR 11 1HB TYR 11 1.105 3.313 0.932
91 HD1 TYR 11 HD1 TYR 11 0.208 2.373 4.448
92 HD2 TYR 11 HD2 TYR 11 0.122 5.506 1.524
93 HE1 TYR 11 HE1 TYR 11 -0.328 4.011 6.221
94 HE2 TYR 11 HE2 TYR 11 -0.414 7.145 3.292
95 HH TYR 11 HH TYR 11 -0.773 6.135 6.695
96 H ILE 12 H ILE 12 -0.421 2.455 -1.236
97 HA ILE 12 HA ILE 12 -2.069 4.890 -1.466
98 HB ILE 12 HB ILE 12 -0.311 3.460 -3.389
99 HG12 ILE 12 2HG1 ILE 12 0.501 5.828 -3.900
100 HG13 ILE 12 1HG1 ILE 12 -0.618 6.451 -2.702
101 HG21 ILE 12 1HG2 ILE 12 -2.317 3.720 -4.813
102 HG22 ILE 12 2HG2 ILE 12 -2.440 5.445 -4.388
103 HG23 ILE 12 3HG2 ILE 12 -1.063 4.842 -5.347
104 HD11 ILE 12 1HD1 ILE 12 1.761 4.560 -2.128
105 HD12 ILE 12 2HD1 ILE 12 0.692 5.267 -0.883
106 HD13 ILE 12 3HD1 ILE 12 1.735 6.315 -1.863
107 H GLN 13 H GLN 13 -2.252 1.552 -2.739
108 HA GLN 13 HA GLN 13 -4.985 1.569 -3.477
109 HB2 GLN 13 2HB GLN 13 -3.481 -0.842 -2.488
110 HB3 GLN 13 1HB GLN 13 -5.013 -0.838 -3.287
111 HG2 GLN 13 1HG GLN 13 -4.016 0.224 -5.354
112 HG3 GLN 13 2HG GLN 13 -2.430 0.145 -4.614
113 HE21 GLN 13 1HE2 GLN 13 -4.833 -1.653 -6.306
114 HE22 GLN 13 2HE2 GLN 13 -3.920 -3.245 -6.335
115 H LYS 14 H LYS 14 -3.613 1.193 -0.189
116 HA LYS 14 HA LYS 14 -6.141 0.395 1.045
117 HB2 LYS 14 1HB LYS 14 -3.978 -0.124 2.072
118 HB3 LYS 14 2HB LYS 14 -3.647 1.593 2.367
119 HG2 LYS 14 1HG LYS 14 -5.616 1.666 3.929
120 HG3 LYS 14 2HG LYS 14 -5.980 -0.023 3.598
121 HD2 LYS 14 2HD LYS 14 -3.366 1.023 4.881
122 HD3 LYS 14 1HD LYS 14 -4.762 0.436 5.775
123 HE2 LYS 14 2HE LYS 14 -4.504 -1.861 4.702
124 HE3 LYS 14 1HE LYS 14 -3.066 -1.291 3.844
125 HZ2 LYS 14 1HZ LYS 14 -2.053 -0.802 5.999
126 HZ3 LYS 14 2HZ LYS 14 -3.379 -1.337 6.793
127 H ASN 15 H ASN 15 -4.546 3.577 0.751
128 HA ASN 15 HA ASN 15 -6.279 5.263 2.271
129 HB2 ASN 15 2HB ASN 15 -4.002 5.818 1.114
130 HB3 ASN 15 1HB ASN 15 -5.012 6.079 -0.330
131 HD21 ASN 15 1HD2 ASN 15 -4.185 8.224 -0.322
132 HD22 ASN 15 2HD2 ASN 15 -4.853 9.492 0.826
133 H GLN 16 H GLN 16 -6.339 4.654 -1.162
134 HA GLN 16 HA GLN 16 -8.817 6.031 -1.738
135 HB2 GLN 16 1HB GLN 16 -8.197 5.741 -3.946
136 HB3 GLN 16 2HB GLN 16 -6.676 5.816 -3.114
137 HG2 GLN 16 2HG GLN 16 -6.573 3.232 -3.192
138 HG3 GLN 16 1HG GLN 16 -8.015 3.237 -4.182
139 HE21 GLN 16 2HE2 GLN 16 -7.830 3.907 -6.370
140 HE22 GLN 16 1HE2 GLN 16 -6.197 4.183 -7.160
141 H ASN 17 H ASN 17 -8.298 2.676 -0.855
142 HA ASN 17 HA ASN 17 -11.203 2.147 -1.097
143 HB2 ASN 17 1HB ASN 17 -9.199 0.252 -2.456
144 HB3 ASN 17 2HB ASN 17 -10.842 -0.193 -2.070
145 HD21 ASN 17 2HD2 ASN 17 -12.607 1.101 -3.104
146 HD22 ASN 17 1HD2 ASN 17 -12.287 1.721 -4.801
147 H LEU 18 H LEU 18 -9.999 2.683 1.318
148 HA LEU 18 HA LEU 18 -9.113 0.920 2.941
149 HB2 LEU 18 1HB LEU 18 -11.618 2.587 3.529
150 HB3 LEU 18 2HB LEU 18 -10.588 1.933 4.777
151 HG LEU 18 HG LEU 18 -9.387 3.756 2.621
152 HD11 LEU 18 1HD2 LEU 18 -11.315 5.002 3.507
153 HD12 LEU 18 2HD2 LEU 18 -9.786 5.735 4.029
154 HD13 LEU 18 3HD2 LEU 18 -10.746 4.756 5.181
155 HD21 LEU 18 1HD1 LEU 18 -7.674 4.248 4.276
156 HD22 LEU 18 2HD1 LEU 18 -7.816 2.488 4.097
157 HD23 LEU 18 3HD1 LEU 18 -8.524 3.282 5.526
158 H PHE 19 H PHE 19 -12.494 0.600 1.972
159 HA PHE 19 HA PHE 19 -13.234 -1.517 3.787
160 HB2 PHE 19 2HB PHE 19 -15.300 -1.630 2.364
161 HB3 PHE 19 1HB PHE 19 -14.958 -0.032 2.952
162 HD1 PHE 19 HD2 PHE 19 -15.116 -2.203 -0.079
163 HD2 PHE 19 HD1 PHE 19 -14.257 1.783 1.298
164 HE1 PHE 19 HE2 PHE 19 -15.261 -1.364 -2.388
165 HE2 PHE 19 HE1 PHE 19 -14.405 2.601 -1.015
166 HZ PHE 19 HZ PHE 19 -14.910 1.036 -2.859
167 H LYS 20 H LYS 20 -14.340 -3.692 2.646
168 HA LYS 20 HA LYS 20 -12.109 -5.181 1.474
169 HB2 LYS 20 1HB LYS 20 -13.484 -6.068 3.309
170 HB3 LYS 20 2HB LYS 20 -14.858 -6.106 2.198
171 HG2 LYS 20 1HG LYS 20 -13.618 -7.768 0.740
172 HG3 LYS 20 2HG LYS 20 -12.233 -7.685 1.830
173 HD2 LYS 20 1HD LYS 20 -13.670 -8.550 3.722
174 HD3 LYS 20 2HD LYS 20 -15.061 -8.646 2.655
175 HE2 LYS 20 2HE LYS 20 -12.427 -10.236 2.256
176 HE3 LYS 20 1HE LYS 20 -13.853 -10.853 3.085
177 HZ2 LYS 20 1HZ LYS 20 -13.808 -9.989 0.250
178 HZ3 LYS 20 2HZ LYS 20 -15.120 -10.565 1.037
Start of MODEL 18
1 H1 LYS 1 H LYS 1 16.927 -3.077 0.255
2 HA LYS 1 HA LYS 1 15.412 -0.801 1.245
3 HB2 LYS 1 1HB LYS 1 14.382 -0.123 -0.868
4 HB3 LYS 1 2HB LYS 1 16.014 0.452 -0.695
5 HG2 LYS 1 2HG LYS 1 15.449 -2.071 -2.373
6 HG3 LYS 1 1HG LYS 1 15.099 -0.472 -3.008
7 HD2 LYS 1 1HD LYS 1 17.499 0.226 -2.667
8 HD3 LYS 1 2HD LYS 1 17.885 -1.386 -2.062
9 HE2 LYS 1 1HE LYS 1 17.172 -2.401 -4.279
10 HE3 LYS 1 2HE LYS 1 16.791 -0.786 -4.894
11 HZ2 LYS 1 1HZ LYS 1 18.970 -1.463 -5.571
12 HZ3 LYS 1 2HZ LYS 1 19.096 -0.163 -4.589
13 H MET 2 H MET 2 13.710 -2.068 -0.950
14 HA MET 2 HA MET 2 12.120 -3.887 -1.141
15 HB2 MET 2 1HB MET 2 14.684 -5.257 -0.150
16 HB3 MET 2 2HB MET 2 13.232 -6.212 -0.188
17 HG2 MET 2 1HG MET 2 14.320 -4.655 -2.617
18 HG3 MET 2 2HG MET 2 14.604 -6.376 -2.295
19 HE1 MET 2 1HE MET 2 13.592 -6.796 -4.808
20 HE2 MET 2 2HE MET 2 11.942 -6.296 -5.288
21 HE3 MET 2 3HE MET 2 13.195 -5.057 -4.985
22 H ASN 3 H ASN 3 11.259 -2.304 0.443
23 HA ASN 3 HA ASN 3 9.545 -3.786 2.194
24 HB2 ASN 3 2HB ASN 3 9.916 -2.787 4.419
25 HB3 ASN 3 1HB ASN 3 11.260 -3.767 3.924
26 HD21 ASN 3 1HD2 ASN 3 10.486 -0.847 5.310
27 HD22 ASN 3 2HD2 ASN 3 12.114 -0.027 5.095
28 H MET 4 H MET 4 10.517 -0.265 2.234
29 HA MET 4 HA MET 4 7.788 0.488 1.798
30 HB2 MET 4 2HB MET 4 10.157 2.313 1.075
31 HB3 MET 4 1HB MET 4 8.553 2.790 1.605
32 HG2 MET 4 1HG MET 4 9.145 1.632 3.902
33 HG3 MET 4 2HG MET 4 10.793 1.578 3.309
34 HE1 MET 4 1HE MET 4 12.450 3.571 3.386
35 HE2 MET 4 2HE MET 4 11.960 5.283 3.225
36 HE3 MET 4 3HE MET 4 11.660 4.141 1.882
37 H LEU 5 H LEU 5 8.871 -1.230 -0.331
38 HA LEU 5 HA LEU 5 8.343 0.262 -2.871
39 HB2 LEU 5 1HB LEU 5 9.484 -2.542 -2.469
40 HB3 LEU 5 2HB LEU 5 9.238 -1.767 -4.024
41 HG LEU 5 HG LEU 5 11.168 -0.837 -1.799
42 HD11 LEU 5 1HD2 LEU 5 11.749 -2.062 -4.537
43 HD12 LEU 5 2HD2 LEU 5 11.707 -2.964 -3.005
44 HD13 LEU 5 3HD2 LEU 5 12.919 -1.675 -3.219
45 HD21 LEU 5 1HD1 LEU 5 10.455 1.192 -3.056
46 HD22 LEU 5 2HD1 LEU 5 10.798 0.394 -4.613
47 HD23 LEU 5 3HD1 LEU 5 12.124 0.776 -3.478
48 H LYS 6 H LYS 6 7.668 -3.013 -1.675
49 HA LYS 6 HA LYS 6 4.979 -3.112 -2.730
50 HB2 LYS 6 2HB LYS 6 4.722 -5.292 -1.590
51 HB3 LYS 6 1HB LYS 6 6.258 -5.185 -2.426
52 HG2 LYS 6 2HG LYS 6 7.403 -4.685 -0.183
53 HG3 LYS 6 1HG LYS 6 5.852 -4.909 0.624
54 HD2 LYS 6 1HD LYS 6 5.727 -7.270 -0.247
55 HD3 LYS 6 2HD LYS 6 7.264 -7.076 -1.076
56 HE2 LYS 6 1HE LYS 6 6.881 -6.859 1.994
57 HE3 LYS 6 2HE LYS 6 7.387 -8.317 1.145
58 HZ2 LYS 6 1HZ LYS 6 9.253 -7.108 2.042
59 HZ3 LYS 6 2HZ LYS 6 8.885 -5.760 1.194
60 H GLU 7 H GLU 7 6.143 -2.131 0.455
61 HA GLU 7 HA GLU 7 3.425 -1.945 1.653
62 HB2 GLU 7 1HB GLU 7 6.042 -0.626 2.631
63 HB3 GLU 7 2HB GLU 7 4.509 -0.525 3.478
64 HG2 GLU 7 1HG GLU 7 4.444 -3.017 3.792
65 HG3 GLU 7 2HG GLU 7 5.963 -3.189 2.920
66 HE2 GLU 7 HE2 GLU 7 4.436 -2.174 5.709
67 H ASN 8 H ASN 8 5.567 0.498 0.029
68 HA ASN 8 HA ASN 8 3.632 2.643 0.351
69 HB2 ASN 8 2HB ASN 8 5.969 2.987 -0.642
70 HB3 ASN 8 1HB ASN 8 5.411 2.180 -2.144
71 HD21 ASN 8 2HD2 ASN 8 5.002 5.060 -0.046
72 HD22 ASN 8 1HD2 ASN 8 4.421 6.155 -1.399
73 H VAL 9 H VAL 9 3.892 0.317 -2.389
74 HA VAL 9 HA VAL 9 1.553 1.161 -3.766
75 HB VAL 9 HB VAL 9 3.809 -0.497 -4.136
76 HG11 VAL 9 1HG2 VAL 9 2.589 -2.573 -3.296
77 HG12 VAL 9 2HG2 VAL 9 3.063 -2.681 -5.001
78 HG13 VAL 9 3HG2 VAL 9 1.366 -2.352 -4.567
79 HG21 VAL 9 1HG1 VAL 9 3.132 -0.613 -6.451
80 HG22 VAL 9 2HG1 VAL 9 1.460 -0.106 -6.031
81 HG23 VAL 9 3HG1 VAL 9 2.841 0.997 -5.760
82 H ASP 10 H ASP 10 1.426 -0.204 -0.720
83 HA ASP 10 HA ASP 10 -1.008 -1.813 -0.988
84 HB2 ASP 10 2HB ASP 10 1.127 -2.877 0.200
85 HB3 ASP 10 1HB ASP 10 0.770 -1.690 1.434
86 HD2 ASP 10 HD2 ASP 10 -1.570 -4.941 0.928
87 H TYR 11 H TYR 11 0.797 0.860 0.475
88 HA TYR 11 HA TYR 11 -1.233 1.974 2.231
89 HB2 TYR 11 2HB TYR 11 1.397 2.380 2.214
90 HB3 TYR 11 1HB TYR 11 1.025 3.543 1.010
91 HD1 TYR 11 HD2 TYR 11 0.172 2.573 4.527
92 HD2 TYR 11 HD1 TYR 11 -0.045 5.696 1.600
93 HE1 TYR 11 HE2 TYR 11 -0.417 4.192 6.300
94 HE2 TYR 11 HE1 TYR 11 -0.634 7.317 3.369
95 HH TYR 11 HH TYR 11 -0.939 6.299 6.774
96 H ILE 12 H ILE 12 -0.468 2.674 -1.152
97 HA ILE 12 HA ILE 12 -2.241 5.021 -1.351
98 HB ILE 12 HB ILE 12 -0.418 3.712 -3.305
99 HG12 ILE 12 2HG1 ILE 12 0.286 6.144 -3.753
100 HG13 ILE 12 1HG1 ILE 12 -0.822 6.661 -2.496
101 HG21 ILE 12 1HG2 ILE 12 -2.613 5.657 -4.233
102 HG22 ILE 12 2HG2 ILE 12 -1.227 5.118 -5.218
103 HG23 ILE 12 3HG2 ILE 12 -2.447 3.948 -4.706
104 HD11 ILE 12 1HD1 ILE 12 1.557 6.582 -1.730
105 HD12 ILE 12 2HD1 ILE 12 1.651 4.847 -2.092
106 HD13 ILE 12 3HD1 ILE 12 0.594 5.437 -0.778
107 H GLN 13 H GLN 13 -2.238 1.694 -2.673
108 HA GLN 13 HA GLN 13 -4.969 1.600 -3.421
109 HB2 GLN 13 2HB GLN 13 -3.339 -0.758 -2.497
110 HB3 GLN 13 1HB GLN 13 -4.890 -0.820 -3.250
111 HG2 GLN 13 2HG GLN 13 -4.037 0.289 -5.331
112 HG3 GLN 13 1HG GLN 13 -2.424 0.356 -4.648
113 HE21 GLN 13 2HE2 GLN 13 -1.135 -1.389 -5.160
114 HE22 GLN 13 1HE2 GLN 13 -1.756 -3.005 -5.769
115 H LYS 14 H LYS 14 -3.595 1.243 -0.128
116 HA LYS 14 HA LYS 14 -6.080 0.296 1.078
117 HB2 LYS 14 2HB LYS 14 -3.927 -0.077 2.161
118 HB3 LYS 14 1HB LYS 14 -3.685 1.661 2.422
119 HG2 LYS 14 2HG LYS 14 -5.676 1.669 3.954
120 HG3 LYS 14 1HG LYS 14 -5.952 -0.044 3.655
121 HD2 LYS 14 2HD LYS 14 -3.411 1.160 4.950
122 HD3 LYS 14 1HD LYS 14 -4.789 0.525 5.839
123 HE2 LYS 14 2HE LYS 14 -4.404 -1.780 4.824
124 HE3 LYS 14 1HE LYS 14 -2.982 -1.160 3.972
125 HZ2 LYS 14 1HZ LYS 14 -2.026 -0.572 6.127
126 HZ3 LYS 14 2HZ LYS 14 -3.335 -1.152 6.916
127 H ASN 15 H ASN 15 -4.687 3.580 0.834
128 HA ASN 15 HA ASN 15 -6.643 5.110 2.260
129 HB2 ASN 15 1HB ASN 15 -4.325 5.804 1.392
130 HB3 ASN 15 2HB ASN 15 -5.121 6.037 -0.150
131 HD21 ASN 15 1HD2 ASN 15 -4.411 8.227 -0.021
132 HD22 ASN 15 2HD2 ASN 15 -5.296 9.448 1.026
133 H GLN 16 H GLN 16 -6.440 4.458 -1.203
134 HA GLN 16 HA GLN 16 -8.796 5.765 -2.142
135 HB2 GLN 16 2HB GLN 16 -6.809 5.348 -3.456
136 HB3 GLN 16 1HB GLN 16 -6.754 3.643 -3.043
137 HG2 GLN 16 1HG GLN 16 -7.282 3.713 -5.229
138 HG3 GLN 16 2HG GLN 16 -8.697 3.135 -4.360
139 HE21 GLN 16 1HE2 GLN 16 -7.418 5.768 -6.320
140 HE22 GLN 16 2HE2 GLN 16 -9.029 6.599 -6.602
141 H ASN 17 H ASN 17 -8.348 2.401 -1.088
142 HA ASN 17 HA ASN 17 -11.286 1.940 -1.179
143 HB2 ASN 17 2HB ASN 17 -11.201 -0.257 -2.231
144 HB3 ASN 17 1HB ASN 17 -10.797 1.049 -3.300
145 HD21 ASN 17 2HD2 ASN 17 -8.834 0.949 -4.397
146 HD22 ASN 17 1HD2 ASN 17 -7.642 -0.431 -4.192
147 H LEU 18 H LEU 18 -10.068 2.495 1.205
148 HA LEU 18 HA LEU 18 -9.246 0.743 2.886
149 HB2 LEU 18 1HB LEU 18 -11.725 2.470 3.411
150 HB3 LEU 18 2HB LEU 18 -10.725 1.814 4.682
151 HG LEU 18 HG LEU 18 -9.461 3.577 2.514
152 HD11 LEU 18 1HD2 LEU 18 -9.851 5.593 3.869
153 HD12 LEU 18 2HD2 LEU 18 -11.382 4.874 3.332
154 HD13 LEU 18 3HD2 LEU 18 -10.851 4.658 5.023
155 HD21 LEU 18 1HD1 LEU 18 -7.941 2.314 4.041
156 HD22 LEU 18 2HD1 LEU 18 -8.664 3.142 5.443
157 HD23 LEU 18 3HD1 LEU 18 -7.772 4.074 4.197
158 H PHE 19 H PHE 19 -12.750 0.735 2.301
159 HA PHE 19 HA PHE 19 -13.253 -1.823 3.624
160 HB2 PHE 19 2HB PHE 19 -15.604 -1.311 3.005
161 HB3 PHE 19 1HB PHE 19 -14.802 -0.114 3.994
162 HD1 PHE 19 HD2 PHE 19 -14.239 2.175 3.035
163 HD2 PHE 19 HD1 PHE 19 -16.407 -0.718 0.695
164 HE1 PHE 19 HE2 PHE 19 -14.998 3.950 1.519
165 HE2 PHE 19 HE1 PHE 19 -17.149 1.075 -0.813
166 HZ PHE 19 HZ PHE 19 -16.448 3.409 -0.407
167 H LYS 20 H LYS 20 -11.463 -2.611 1.708
168 HA LYS 20 HA LYS 20 -12.635 -3.425 -0.784
169 HB2 LYS 20 2HB LYS 20 -10.210 -2.970 -0.307
170 HB3 LYS 20 1HB LYS 20 -10.170 -4.547 0.485
171 HG2 LYS 20 1HG LYS 20 -10.895 -5.605 -1.749
172 HG3 LYS 20 2HG LYS 20 -10.859 -3.993 -2.467
173 HD2 LYS 20 1HD LYS 20 -8.347 -3.848 -1.786
174 HD3 LYS 20 2HD LYS 20 -8.474 -5.504 -1.226
175 HE2 LYS 20 2HE LYS 20 -7.492 -5.626 -3.408
176 HE3 LYS 20 1HE LYS 20 -9.134 -6.237 -3.598
177 HZ2 LYS 20 1HZ LYS 20 -8.184 -3.503 -4.286
178 HZ3 LYS 20 2HZ LYS 20 -8.503 -4.704 -5.348
Start of MODEL 19
1 H1 LYS 1 H LYS 1 17.685 -0.195 -0.534
2 HA LYS 1 HA LYS 1 15.803 1.973 -0.280
3 HB2 LYS 1 1HB LYS 1 15.044 1.896 -2.764
4 HB3 LYS 1 2HB LYS 1 16.327 2.967 -2.275
5 HG2 LYS 1 1HG LYS 1 16.937 2.165 -4.390
6 HG3 LYS 1 2HG LYS 1 18.068 1.461 -3.250
7 HD2 LYS 1 1HD LYS 1 16.897 -0.742 -3.390
8 HD3 LYS 1 2HD LYS 1 15.643 -0.045 -4.428
9 HE2 LYS 1 1HE LYS 1 17.406 0.456 -6.197
10 HE3 LYS 1 2HE LYS 1 18.652 -0.239 -5.150
11 HZ2 LYS 1 1HZ LYS 1 17.435 -2.345 -5.215
12 HZ3 LYS 1 2HZ LYS 1 16.284 -1.702 -6.181
13 H MET 2 H MET 2 15.300 0.306 1.171
14 HA MET 2 HA MET 2 13.628 -1.851 0.006
15 HB2 MET 2 1HB MET 2 14.781 -3.654 1.113
16 HB3 MET 2 2HB MET 2 15.974 -2.770 0.198
17 HG2 MET 2 2HG MET 2 15.654 -2.471 3.257
18 HG3 MET 2 1HG MET 2 16.778 -3.569 2.445
19 HE1 MET 2 1HE MET 2 17.619 -1.250 4.581
20 HE2 MET 2 2HE MET 2 19.112 -0.652 3.798
21 HE3 MET 2 3HE MET 2 18.777 -2.409 3.853
22 H ASN 3 H ASN 3 12.498 0.168 0.834
23 HA ASN 3 HA ASN 3 11.023 -0.688 3.251
24 HB2 ASN 3 2HB ASN 3 12.020 2.237 2.964
25 HB3 ASN 3 1HB ASN 3 10.773 1.735 4.083
26 HD21 ASN 3 1HD2 ASN 3 14.156 2.005 3.664
27 HD22 ASN 3 2HD2 ASN 3 14.621 1.240 5.266
28 H MET 4 H MET 4 10.900 2.054 0.841
29 HA MET 4 HA MET 4 8.093 1.653 0.479
30 HB2 MET 4 1HB MET 4 9.871 2.972 -1.657
31 HB3 MET 4 2HB MET 4 8.179 3.290 -1.313
32 HG2 MET 4 1HG MET 4 8.990 4.198 1.030
33 HG3 MET 4 2HG MET 4 10.611 4.125 0.349
34 HE1 MET 4 1HE MET 4 9.727 7.988 0.088
35 HE2 MET 4 2HE MET 4 9.237 6.860 1.386
36 HE3 MET 4 3HE MET 4 10.893 6.782 0.707
37 H LEU 5 H LEU 5 9.629 -0.791 -0.092
38 HA LEU 5 HA LEU 5 8.938 -1.574 -2.887
39 HB2 LEU 5 2HB LEU 5 10.464 -3.033 -0.665
40 HB3 LEU 5 1HB LEU 5 10.117 -3.735 -2.239
41 HG LEU 5 HG LEU 5 11.900 -1.305 -1.640
42 HD11 LEU 5 1HD2 LEU 5 13.694 -2.860 -2.319
43 HD12 LEU 5 2HD2 LEU 5 12.722 -3.571 -1.003
44 HD13 LEU 5 3HD2 LEU 5 12.484 -4.139 -2.676
45 HD21 LEU 5 1HD1 LEU 5 10.889 -0.866 -3.868
46 HD22 LEU 5 2HD1 LEU 5 12.580 -1.351 -4.068
47 HD23 LEU 5 3HD1 LEU 5 11.273 -2.518 -4.415
48 H LYS 6 H LYS 6 8.643 -3.349 0.170
49 HA LYS 6 HA LYS 6 5.949 -4.275 -0.414
50 HB2 LYS 6 1HB LYS 6 7.542 -4.401 2.234
51 HB3 LYS 6 2HB LYS 6 5.969 -5.153 2.024
52 HG2 LYS 6 1HG LYS 6 6.857 -6.580 0.150
53 HG3 LYS 6 2HG LYS 6 8.459 -5.894 0.359
54 HD2 LYS 6 1HD LYS 6 6.904 -7.476 2.504
55 HD3 LYS 6 2HD LYS 6 8.102 -8.172 1.438
56 HE2 LYS 6 1HE LYS 6 8.703 -5.985 3.548
57 HE3 LYS 6 2HE LYS 6 8.953 -7.712 3.768
58 HZ2 LYS 6 1HZ LYS 6 10.549 -7.703 1.975
59 HZ3 LYS 6 2HZ LYS 6 10.981 -6.649 3.148
60 H GLU 7 H GLU 7 7.104 -1.506 1.462
61 HA GLU 7 HA GLU 7 4.444 -0.905 2.634
62 HB2 GLU 7 1HB GLU 7 6.826 1.030 2.310
63 HB3 GLU 7 2HB GLU 7 5.351 1.422 3.156
64 HG2 GLU 7 2HG GLU 7 7.300 -0.810 4.015
65 HG3 GLU 7 1HG GLU 7 7.251 0.810 4.679
66 HE2 GLU 7 HE2 GLU 7 4.430 0.346 6.638
67 H ASN 8 H ASN 8 6.043 0.251 -0.412
68 HA ASN 8 HA ASN 8 3.791 1.986 -1.072
69 HB2 ASN 8 1HB ASN 8 5.979 1.950 -2.396
70 HB3 ASN 8 2HB ASN 8 5.490 0.365 -3.090
71 HD21 ASN 8 1HD2 ASN 8 4.547 0.602 -5.084
72 HD22 ASN 8 2HD2 ASN 8 3.793 2.142 -5.734
73 H VAL 9 H VAL 9 4.336 -1.453 -1.981
74 HA VAL 9 HA VAL 9 1.827 -1.873 -3.253
75 HB VAL 9 HB VAL 9 4.327 -3.144 -2.902
76 HG11 VAL 9 1HG1 VAL 9 3.949 -5.487 -2.248
77 HG12 VAL 9 2HG1 VAL 9 2.238 -5.176 -1.859
78 HG13 VAL 9 3HG1 VAL 9 3.526 -4.456 -0.869
79 HG21 VAL 9 1HG2 VAL 9 3.051 -3.019 -4.943
80 HG22 VAL 9 2HG2 VAL 9 3.595 -4.677 -4.618
81 HG23 VAL 9 3HG2 VAL 9 1.877 -4.227 -4.347
82 H ASP 10 H ASP 10 2.070 -1.156 -0.005
83 HA ASP 10 HA ASP 10 -0.051 -2.878 1.056
84 HB2 ASP 10 2HB ASP 10 2.286 -2.778 2.322
85 HB3 ASP 10 1HB ASP 10 1.791 -1.140 2.681
86 HD2 ASP 10 HD2 ASP 10 0.188 -0.767 3.971
87 H TYR 11 H TYR 11 1.332 0.331 0.462
88 HA TYR 11 HA TYR 11 -0.792 2.021 1.499
89 HB2 TYR 11 2HB TYR 11 1.731 2.636 0.898
90 HB3 TYR 11 1HB TYR 11 1.111 2.823 -0.690
91 HD1 TYR 11 HD1 TYR 11 0.593 4.000 2.828
92 HD2 TYR 11 HD2 TYR 11 -0.295 4.771 -1.293
93 HE1 TYR 11 HE1 TYR 11 -0.188 6.270 3.423
94 HE2 TYR 11 HE2 TYR 11 -1.077 7.039 -0.703
95 HH TYR 11 HH TYR 11 -1.423 8.504 0.931
96 H ILE 12 H ILE 12 -0.301 0.677 -1.733
97 HA ILE 12 HA ILE 12 -2.436 2.253 -3.022
98 HB ILE 12 HB ILE 12 -0.497 0.259 -4.071
99 HG12 ILE 12 2HG1 ILE 12 -0.222 2.000 -5.927
100 HG13 ILE 12 1HG1 ILE 12 -1.380 3.027 -5.104
101 HG21 ILE 12 1HG2 ILE 12 -1.602 0.147 -6.323
102 HG22 ILE 12 2HG2 ILE 12 -3.030 0.984 -5.659
103 HG23 ILE 12 3HG2 ILE 12 -2.574 -0.634 -5.074
104 HD11 ILE 12 1HD1 ILE 12 0.245 3.283 -3.173
105 HD12 ILE 12 2HD1 ILE 12 1.367 2.154 -3.983
106 HD13 ILE 12 3HD1 ILE 12 0.991 3.724 -4.721
107 H GLN 13 H GLN 13 -1.940 -1.183 -2.171
108 HA GLN 13 HA GLN 13 -4.638 -2.017 -2.362
109 HB2 GLN 13 1HB GLN 13 -2.595 -3.169 -0.476
110 HB3 GLN 13 2HB GLN 13 -4.139 -3.838 -0.842
111 HG2 GLN 13 1HG GLN 13 -3.578 -4.084 -3.272
112 HG3 GLN 13 2HG GLN 13 -1.979 -3.425 -2.982
113 HE21 GLN 13 2HE2 GLN 13 -0.468 -5.032 -2.825
114 HE22 GLN 13 1HE2 GLN 13 -0.783 -6.729 -2.200
115 H LYS 14 H LYS 14 -3.092 -0.227 0.338
116 HA LYS 14 HA LYS 14 -5.356 -0.557 2.158
117 HB2 LYS 14 1HB LYS 14 -3.098 -0.023 2.976
118 HB3 LYS 14 2HB LYS 14 -3.173 1.592 2.243
119 HG2 LYS 14 2HG LYS 14 -5.147 2.096 3.782
120 HG3 LYS 14 1HG LYS 14 -5.000 0.490 4.484
121 HD2 LYS 14 2HD LYS 14 -2.865 2.719 4.564
122 HD3 LYS 14 1HD LYS 14 -3.964 2.340 5.870
123 HE2 LYS 14 1HE LYS 14 -1.751 0.446 4.818
124 HE3 LYS 14 2HE LYS 14 -1.637 1.471 6.241
125 HZ2 LYS 14 1HZ LYS 14 -2.202 -0.749 6.858
126 HZ3 LYS 14 2HZ LYS 14 -3.435 0.247 7.259
127 H ASN 15 H ASN 15 -4.507 2.047 -0.125
128 HA ASN 15 HA ASN 15 -6.447 4.051 0.455
129 HB2 ASN 15 1HB ASN 15 -4.452 4.096 -1.232
130 HB3 ASN 15 2HB ASN 15 -5.607 3.307 -2.334
131 HD21 ASN 15 1HD2 ASN 15 -5.275 5.121 -3.712
132 HD22 ASN 15 2HD2 ASN 15 -6.117 6.719 -3.388
133 H GLN 16 H GLN 16 -6.651 1.496 -1.903
134 HA GLN 16 HA GLN 16 -9.369 1.967 -2.737
135 HB2 GLN 16 1HB GLN 16 -8.915 0.443 -4.403
136 HB3 GLN 16 2HB GLN 16 -7.383 1.201 -4.093
137 HG2 GLN 16 2HG GLN 16 -6.660 -0.829 -2.711
138 HG3 GLN 16 1HG GLN 16 -8.182 -1.615 -3.088
139 HE21 GLN 16 2HE2 GLN 16 -5.061 -0.725 -4.366
140 HE22 GLN 16 1HE2 GLN 16 -5.253 -1.628 -5.952
141 H ASN 17 H ASN 17 -8.137 -0.297 -0.320
142 HA ASN 17 HA ASN 17 -10.623 -1.816 -0.177
143 HB2 ASN 17 2HB ASN 17 -9.760 -3.105 1.606
144 HB3 ASN 17 1HB ASN 17 -8.553 -2.927 0.364
145 HD21 ASN 17 2HD2 ASN 17 -7.056 -3.684 1.921
146 HD22 ASN 17 1HD2 ASN 17 -6.420 -2.592 3.251
147 H LEU 18 H LEU 18 -9.570 1.025 1.725
148 HA LEU 18 HA LEU 18 -11.352 1.011 3.781
149 HB2 LEU 18 1HB LEU 18 -10.578 3.456 2.120
150 HB3 LEU 18 2HB LEU 18 -11.200 3.541 3.755
151 HG LEU 18 HG LEU 18 -8.692 1.901 3.119
152 HD11 LEU 18 1HD2 LEU 18 -7.266 3.819 3.687
153 HD12 LEU 18 2HD2 LEU 18 -8.267 4.175 2.267
154 HD13 LEU 18 3HD2 LEU 18 -8.705 4.877 3.850
155 HD21 LEU 18 1HD1 LEU 18 -9.670 1.367 5.260
156 HD22 LEU 18 2HD1 LEU 18 -9.640 3.086 5.753
157 HD23 LEU 18 3HD1 LEU 18 -8.112 2.185 5.465
158 H PHE 19 H PHE 19 -12.294 2.494 0.666
159 HA PHE 19 HA PHE 19 -15.089 2.810 1.449
160 HB2 PHE 19 1HB PHE 19 -15.332 3.783 -0.796
161 HB3 PHE 19 2HB PHE 19 -14.139 4.540 0.228
162 HD1 PHE 19 HD1 PHE 19 -14.612 2.549 -2.912
163 HD2 PHE 19 HD2 PHE 19 -11.736 4.561 -0.415
164 HE1 PHE 19 HE1 PHE 19 -13.002 2.567 -4.764
165 HE2 PHE 19 HE2 PHE 19 -10.163 4.616 -2.303
166 HZ PHE 19 HZ PHE 19 -10.781 3.609 -4.470
167 H LYS 20 H LYS 20 -14.757 0.095 1.759
168 HA LYS 20 HA LYS 20 -15.597 -1.422 -0.550
169 HB2 LYS 20 2HB LYS 20 -14.213 -2.295 1.281
170 HB3 LYS 20 1HB LYS 20 -15.631 -2.219 2.331
171 HG2 LYS 20 2HG LYS 20 -16.811 -3.894 0.840
172 HG3 LYS 20 1HG LYS 20 -15.409 -3.922 -0.232
173 HD2 LYS 20 2HD LYS 20 -13.974 -4.776 1.666
174 HD3 LYS 20 1HD LYS 20 -15.355 -4.762 2.750
175 HE2 LYS 20 2HE LYS 20 -15.165 -6.471 0.169
176 HE3 LYS 20 1HE LYS 20 -14.744 -7.043 1.781
177 HZ2 LYS 20 1HZ LYS 20 -17.434 -6.125 0.943
178 HZ3 LYS 20 2HZ LYS 20 -16.969 -7.678 1.156
Start of MODEL 20
1 H1 LYS 1 H LYS 1 17.432 -1.365 -0.947
2 HA LYS 1 HA LYS 1 15.500 0.190 -2.402
3 HB2 LYS 1 1HB LYS 1 14.509 -1.669 -3.749
4 HB3 LYS 1 2HB LYS 1 15.942 -0.969 -4.444
5 HG2 LYS 1 1HG LYS 1 16.153 -3.588 -2.838
6 HG3 LYS 1 2HG LYS 1 15.515 -3.591 -4.473
7 HD2 LYS 1 2HD LYS 1 17.644 -2.552 -5.338
8 HD3 LYS 1 1HD LYS 1 18.312 -2.550 -3.705
9 HE2 LYS 1 1HE LYS 1 18.095 -5.083 -3.605
10 HE3 LYS 1 2HE LYS 1 17.456 -5.086 -5.255
11 HZ2 LYS 1 1HZ LYS 1 19.537 -4.054 -5.986
12 HZ3 LYS 1 2HZ LYS 1 20.125 -4.057 -4.461
13 H MET 2 H MET 2 15.028 0.413 -0.243
14 HA MET 2 HA MET 2 13.470 -1.764 0.989
15 HB2 MET 2 1HB MET 2 14.820 -2.021 3.027
16 HB3 MET 2 2HB MET 2 15.782 -2.367 1.619
17 HG2 MET 2 2HG MET 2 17.238 -1.245 3.113
18 HG3 MET 2 1HG MET 2 16.929 -0.118 1.801
19 HE1 MET 2 1HE MET 2 14.926 -1.086 5.249
20 HE2 MET 2 2HE MET 2 15.474 0.315 6.213
21 HE3 MET 2 3HE MET 2 16.667 -0.878 5.619
22 H ASN 3 H ASN 3 12.327 0.206 0.033
23 HA ASN 3 HA ASN 3 11.128 1.600 2.327
24 HB2 ASN 3 1HB ASN 3 12.125 3.244 -0.111
25 HB3 ASN 3 2HB ASN 3 10.945 3.838 1.033
26 HD21 ASN 3 2HD2 ASN 3 14.299 3.485 0.466
27 HD22 ASN 3 1HD2 ASN 3 14.852 4.155 2.082
28 H MET 4 H MET 4 10.798 1.609 -1.304
29 HA MET 4 HA MET 4 7.966 1.254 -1.080
30 HB2 MET 4 1HB MET 4 9.551 0.431 -3.584
31 HB3 MET 4 2HB MET 4 7.897 1.007 -3.495
32 HG2 MET 4 1HG MET 4 8.924 3.307 -2.667
33 HG3 MET 4 2HG MET 4 10.467 2.631 -3.153
34 HE1 MET 4 1HE MET 4 7.062 3.994 -5.992
35 HE2 MET 4 2HE MET 4 6.687 2.942 -4.595
36 HE3 MET 4 3HE MET 4 7.383 4.572 -4.330
37 H LEU 5 H LEU 5 9.456 -0.890 0.281
38 HA LEU 5 HA LEU 5 8.608 -3.457 -0.971
39 HB2 LEU 5 2HB LEU 5 10.213 -2.818 1.562
40 HB3 LEU 5 1HB LEU 5 9.766 -4.448 1.081
41 HG LEU 5 HG LEU 5 11.635 -2.517 -0.400
42 HD11 LEU 5 1HD2 LEU 5 12.436 -3.563 1.714
43 HD12 LEU 5 2HD2 LEU 5 12.063 -5.185 1.074
44 HD13 LEU 5 3HD2 LEU 5 13.338 -4.184 0.307
45 HD21 LEU 5 1HD1 LEU 5 10.816 -5.365 -1.288
46 HD22 LEU 5 2HD1 LEU 5 12.176 -4.423 -1.962
47 HD23 LEU 5 3HD1 LEU 5 10.516 -3.847 -2.174
48 H LYS 6 H LYS 6 8.412 -2.450 2.420
49 HA LYS 6 HA LYS 6 5.671 -3.360 2.695
50 HB2 LYS 6 1HB LYS 6 7.447 -3.337 4.555
51 HB3 LYS 6 2HB LYS 6 7.244 -1.594 4.685
52 HG2 LYS 6 1HG LYS 6 4.800 -1.957 5.310
53 HG3 LYS 6 2HG LYS 6 5.019 -3.699 5.134
54 HD2 LYS 6 1HD LYS 6 6.773 -3.654 6.971
55 HD3 LYS 6 2HD LYS 6 6.539 -1.910 7.143
56 HE2 LYS 6 1HE LYS 6 4.096 -2.307 7.765
57 HE3 LYS 6 2HE LYS 6 4.346 -4.052 7.606
58 HZ2 LYS 6 1HZ LYS 6 6.042 -3.896 9.346
59 HZ3 LYS 6 2HZ LYS 6 5.806 -2.285 9.493
60 H GLU 7 H GLU 7 7.012 -0.149 2.031
61 HA GLU 7 HA GLU 7 4.469 1.300 2.472
62 HB2 GLU 7 2HB GLU 7 6.869 2.207 0.747
63 HB3 GLU 7 1HB GLU 7 5.468 3.198 1.097
64 HG2 GLU 7 2HG GLU 7 5.956 3.171 3.547
65 HG3 GLU 7 1HG GLU 7 7.337 2.110 3.295
66 HE2 GLU 7 HE2 GLU 7 9.108 2.955 3.017
67 H ASN 8 H ASN 8 5.857 -0.185 -0.538
68 HA ASN 8 HA ASN 8 3.579 0.693 -2.144
69 HB2 ASN 8 1HB ASN 8 5.688 -0.405 -3.124
70 HB3 ASN 8 2HB ASN 8 5.111 -1.978 -2.475
71 HD21 ASN 8 1HD2 ASN 8 4.184 -3.158 -4.094
72 HD22 ASN 8 2HD2 ASN 8 3.365 -2.481 -5.589
73 H VAL 9 H VAL 9 4.037 -2.395 -0.360
74 HA VAL 9 HA VAL 9 1.441 -3.454 -0.825
75 HB VAL 9 HB VAL 9 3.954 -4.229 0.223
76 HG11 VAL 9 1HG2 VAL 9 3.594 -5.393 2.362
77 HG12 VAL 9 2HG2 VAL 9 1.911 -4.820 2.475
78 HG13 VAL 9 3HG2 VAL 9 3.259 -3.672 2.619
79 HG21 VAL 9 1HG1 VAL 9 3.097 -6.486 0.130
80 HG22 VAL 9 2HG1 VAL 9 2.545 -5.520 -1.253
81 HG23 VAL 9 3HG1 VAL 9 1.405 -5.887 0.072
82 H ASP 10 H ASP 10 1.910 -0.651 0.923
83 HA ASP 10 HA ASP 10 -0.149 -0.999 2.981
84 HB2 ASP 10 2HB ASP 10 2.286 -0.127 3.683
85 HB3 ASP 10 1HB ASP 10 1.773 1.305 2.821
86 HD2 ASP 10 HD2 ASP 10 1.133 -0.777 5.389
87 H TYR 11 H TYR 11 1.185 0.715 0.189
88 HA TYR 11 HA TYR 11 -0.844 2.769 -0.191
89 HB2 TYR 11 2HB TYR 11 1.626 2.647 -1.166
90 HB3 TYR 11 1HB TYR 11 0.914 1.644 -2.361
91 HD1 TYR 11 HD1 TYR 11 0.614 5.044 -0.813
92 HD2 TYR 11 HD2 TYR 11 -0.552 2.583 -4.124
93 HE1 TYR 11 HE1 TYR 11 -0.179 7.048 -2.023
94 HE2 TYR 11 HE2 TYR 11 -1.346 4.582 -5.334
95 HH TYR 11 HH TYR 11 -1.648 6.779 -5.262
96 H ILE 12 H ILE 12 -0.578 -0.515 -1.476
97 HA ILE 12 HA ILE 12 -2.809 -0.257 -3.388
98 HB ILE 12 HB ILE 12 -0.947 -2.493 -2.766
99 HG12 ILE 12 1HG1 ILE 12 -0.783 -2.628 -5.318
100 HG13 ILE 12 2HG1 ILE 12 -1.866 -1.255 -5.437
101 HG21 ILE 12 1HG2 ILE 12 -2.211 -4.116 -4.210
102 HG22 ILE 12 2HG2 ILE 12 -3.576 -2.970 -4.293
103 HG23 ILE 12 3HG2 ILE 12 -3.105 -3.708 -2.742
104 HD11 ILE 12 1HD1 ILE 12 0.947 -1.226 -4.153
105 HD12 ILE 12 2HD1 ILE 12 0.531 -0.636 -5.774
106 HD13 ILE 12 3HD1 ILE 12 -0.101 0.208 -4.348
107 H GLN 13 H GLN 13 -2.218 -2.026 -0.334
108 HA GLN 13 HA GLN 13 -4.911 -2.640 0.283
109 HB2 GLN 13 1HB GLN 13 -2.745 -2.113 2.303
110 HB3 GLN 13 2HB GLN 13 -4.305 -2.764 2.632
111 HG2 GLN 13 1HG GLN 13 -3.907 -4.745 1.133
112 HG3 GLN 13 2HG GLN 13 -2.290 -4.164 0.792
113 HE21 GLN 13 2HE2 GLN 13 -4.244 -5.864 3.067
114 HE22 GLN 13 1HE2 GLN 13 -2.914 -6.181 4.290
115 H LYS 14 H LYS 14 -3.219 0.491 0.738
116 HA LYS 14 HA LYS 14 -5.330 1.709 2.343
117 HB2 LYS 14 2HB LYS 14 -3.060 2.620 2.335
118 HB3 LYS 14 1HB LYS 14 -3.182 3.039 0.616
119 HG2 LYS 14 1HG LYS 14 -5.017 4.712 1.229
120 HG3 LYS 14 2HG LYS 14 -4.853 4.231 2.914
121 HD2 LYS 14 2HD LYS 14 -3.655 6.292 2.637
122 HD3 LYS 14 1HD LYS 14 -2.454 5.038 2.921
123 HE2 LYS 14 2HE LYS 14 -1.916 4.972 0.440
124 HE3 LYS 14 1HE LYS 14 -3.188 6.159 0.119
125 HZ2 LYS 14 1HZ LYS 14 -1.995 7.748 1.474
126 HZ3 LYS 14 2HZ LYS 14 -1.056 7.203 0.252
127 H ASN 15 H ASN 15 -4.730 1.785 -1.176
128 HA ASN 15 HA ASN 15 -6.759 3.577 -2.085
129 HB2 ASN 15 1HB ASN 15 -4.806 2.485 -3.427
130 HB3 ASN 15 2HB ASN 15 -5.915 1.102 -3.567
131 HD21 ASN 15 1HD2 ASN 15 -5.826 1.360 -5.813
132 HD22 ASN 15 2HD2 ASN 15 -6.739 2.696 -6.685
133 H GLN 16 H GLN 16 -6.861 0.099 -2.002
134 HA GLN 16 HA GLN 16 -9.587 -0.278 -2.818
135 HB2 GLN 16 1HB GLN 16 -9.032 -2.527 -2.843
136 HB3 GLN 16 2HB GLN 16 -7.533 -1.722 -3.184
137 HG2 GLN 16 2HG GLN 16 -6.912 -2.008 -0.671
138 HG3 GLN 16 1HG GLN 16 -8.341 -3.010 -0.491
139 HE21 GLN 16 1HE2 GLN 16 -7.538 -5.053 -0.288
140 HE22 GLN 16 2HE2 GLN 16 -6.266 -5.808 -1.374
141 H ASN 17 H ASN 17 -8.280 -0.031 0.446
142 HA ASN 17 HA ASN 17 -10.727 -0.974 1.740
143 HB2 ASN 17 1HB ASN 17 -8.359 0.500 3.009
144 HB3 ASN 17 2HB ASN 17 -9.738 -0.103 3.911
145 HD21 ASN 17 1HD2 ASN 17 -7.332 -0.912 4.658
146 HD22 ASN 17 2HD2 ASN 17 -7.116 -2.690 4.262
147 H LEU 18 H LEU 18 -9.685 2.382 0.883
148 HA LEU 18 HA LEU 18 -11.638 3.793 2.232
149 HB2 LEU 18 1HB LEU 18 -10.568 4.391 -0.561
150 HB3 LEU 18 2HB LEU 18 -11.331 5.569 0.487
151 HG LEU 18 HG LEU 18 -8.861 4.003 1.402
152 HD11 LEU 18 1HD2 LEU 18 -8.803 6.662 -0.121
153 HD12 LEU 18 2HD2 LEU 18 -7.402 5.827 0.628
154 HD13 LEU 18 3HD2 LEU 18 -8.256 5.074 -0.733
155 HD21 LEU 18 1HD1 LEU 18 -10.043 5.055 3.216
156 HD22 LEU 18 2HD1 LEU 18 -9.981 6.646 2.399
157 HD23 LEU 18 3HD1 LEU 18 -8.474 5.836 2.954
158 H PHE 19 H PHE 19 -12.096 2.979 -1.230
159 HA PHE 19 HA PHE 19 -14.934 3.416 -1.184
160 HB2 PHE 19 1HB PHE 19 -14.911 2.570 -3.500
161 HB3 PHE 19 2HB PHE 19 -13.859 3.923 -3.171
162 HD1 PHE 19 HD1 PHE 19 -13.912 0.264 -4.018
163 HD2 PHE 19 HD2 PHE 19 -11.429 3.747 -3.545
164 HE1 PHE 19 HE1 PHE 19 -12.088 -0.861 -5.226
165 HE2 PHE 19 HE2 PHE 19 -9.638 2.625 -4.802
166 HZ PHE 19 HZ PHE 19 -9.954 0.320 -5.631
167 H LYS 20 H LYS 20 -13.258 0.288 -1.596
168 HA LYS 20 HA LYS 20 -15.718 -1.205 -0.950
169 HB2 LYS 20 2HB LYS 20 -14.221 -1.893 -2.786
170 HB3 LYS 20 1HB LYS 20 -13.009 -2.300 -1.569
171 HG2 LYS 20 2HG LYS 20 -14.617 -4.007 -0.576
172 HG3 LYS 20 1HG LYS 20 -15.805 -3.575 -1.809
173 HD2 LYS 20 2HD LYS 20 -14.174 -4.304 -3.618
174 HD3 LYS 20 1HD LYS 20 -13.000 -4.743 -2.371
175 HE2 LYS 20 1HE LYS 20 -14.648 -6.442 -1.423
176 HE3 LYS 20 2HE LYS 20 -15.814 -6.005 -2.682
177 HZ2 LYS 20 1HZ LYS 20 -14.214 -6.715 -4.347
178 HZ3 LYS 20 2HZ LYS 20 -14.590 -7.931 -3.321
Start of MODEL 21
1 H1 LYS 1 H LYS 1 17.687 0.188 1.545
2 HA LYS 1 HA LYS 1 15.455 -0.614 3.179
3 HB2 LYS 1 2HB LYS 1 14.359 1.630 3.377
4 HB3 LYS 1 1HB LYS 1 15.610 1.312 4.542
5 HG2 LYS 1 2HG LYS 1 16.192 2.995 2.028
6 HG3 LYS 1 1HG LYS 1 15.369 3.696 3.401
7 HD2 LYS 1 1HD LYS 1 18.215 2.517 3.451
8 HD3 LYS 1 2HD LYS 1 17.793 4.212 3.324
9 HE2 LYS 1 2HE LYS 1 16.688 4.128 5.617
10 HE3 LYS 1 1HE LYS 1 17.156 2.428 5.772
11 HZ2 LYS 1 1HZ LYS 1 19.047 4.680 5.393
12 HZ3 LYS 1 2HZ LYS 1 19.475 3.108 5.529
13 H MET 2 H MET 2 15.086 -1.754 1.346
14 HA MET 2 HA MET 2 14.056 -0.347 -0.992
15 HB2 MET 2 2HB MET 2 15.657 -0.931 -2.676
16 HB3 MET 2 1HB MET 2 16.549 -0.239 -1.359
17 HG2 MET 2 2HG MET 2 17.981 -1.947 -1.861
18 HG3 MET 2 1HG MET 2 17.014 -2.806 -0.652
19 HE1 MET 2 1HE MET 2 17.709 -5.190 -1.601
20 HE2 MET 2 2HE MET 2 17.662 -5.626 -3.335
21 HE3 MET 2 3HE MET 2 18.800 -4.371 -2.763
22 H ASN 3 H ASN 3 12.479 -1.453 0.282
23 HA ASN 3 HA ASN 3 11.451 -3.759 -1.164
24 HB2 ASN 3 2HB ASN 3 12.835 -4.921 0.696
25 HB3 ASN 3 1HB ASN 3 11.836 -4.141 1.903
26 HD21 ASN 3 2HD2 ASN 3 9.803 -5.086 2.331
27 HD22 ASN 3 1HD2 ASN 3 9.230 -6.626 1.513
28 H MET 4 H MET 4 10.763 -1.905 1.909
29 HA MET 4 HA MET 4 8.000 -1.586 1.193
30 HB2 MET 4 1HB MET 4 9.497 0.321 3.077
31 HB3 MET 4 2HB MET 4 7.795 -0.098 3.084
32 HG2 MET 4 2HG MET 4 8.602 -2.566 3.692
33 HG3 MET 4 1HG MET 4 10.161 -1.818 3.975
34 HE1 MET 4 1HE MET 4 6.341 -1.235 6.563
35 HE2 MET 4 2HE MET 4 6.258 -0.966 4.798
36 HE3 MET 4 3HE MET 4 6.677 -2.585 5.439
37 H LEU 5 H LEU 5 9.474 -0.737 -1.082
38 HA LEU 5 HA LEU 5 9.366 2.215 -1.330
39 HB2 LEU 5 2HB LEU 5 10.772 2.283 -3.108
40 HB3 LEU 5 1HB LEU 5 11.449 1.356 -1.815
41 HG LEU 5 HG LEU 5 10.398 -0.719 -3.208
42 HD11 LEU 5 1HD1 LEU 5 9.465 0.782 -5.080
43 HD12 LEU 5 2HD1 LEU 5 11.121 1.286 -5.456
44 HD13 LEU 5 3HD1 LEU 5 10.631 -0.424 -5.660
45 HD21 LEU 5 1HD2 LEU 5 13.047 0.720 -3.782
46 HD22 LEU 5 2HD2 LEU 5 12.697 -0.463 -2.499
47 HD23 LEU 5 3HD2 LEU 5 12.691 -0.999 -4.196
48 H LYS 6 H LYS 6 8.563 -0.634 -3.245
49 HA LYS 6 HA LYS 6 6.081 0.529 -4.312
50 HB2 LYS 6 2HB LYS 6 7.753 -0.898 -5.684
51 HB3 LYS 6 1HB LYS 6 7.281 -2.296 -4.733
52 HG2 LYS 6 2HG LYS 6 4.889 -2.051 -5.616
53 HG3 LYS 6 1HG LYS 6 5.379 -0.612 -6.496
54 HD2 LYS 6 2HD LYS 6 5.320 -2.367 -8.096
55 HD3 LYS 6 1HD LYS 6 7.021 -1.995 -7.853
56 HE2 LYS 6 2HE LYS 6 7.230 -4.041 -6.326
57 HE3 LYS 6 1HE LYS 6 5.511 -4.382 -6.563
58 HZ2 LYS 6 1HZ LYS 6 6.917 -5.668 -8.030
59 HZ3 LYS 6 2HZ LYS 6 7.583 -4.327 -8.686
60 H GLU 7 H GLU 7 6.966 -1.930 -1.911
61 HA GLU 7 HA GLU 7 4.210 -2.889 -1.462
62 HB2 GLU 7 2HB GLU 7 6.619 -3.069 0.465
63 HB3 GLU 7 1HB GLU 7 5.080 -3.839 0.759
64 HG2 GLU 7 2HG GLU 7 6.950 -4.502 -1.604
65 HG3 GLU 7 1HG GLU 7 6.842 -5.401 -0.104
66 HE2 GLU 7 HE2 GLU 7 3.861 -7.018 -0.825
67 H ASN 8 H ASN 8 6.031 -0.188 0.110
68 HA ASN 8 HA ASN 8 3.821 0.359 1.956
69 HB2 ASN 8 2HB ASN 8 6.177 1.440 2.123
70 HB3 ASN 8 1HB ASN 8 5.734 2.459 0.721
71 HD21 ASN 8 2HD2 ASN 8 4.965 1.717 4.140
72 HD22 ASN 8 1HD2 ASN 8 4.268 3.374 4.506
73 H VAL 9 H VAL 9 4.557 1.761 -1.278
74 HA VAL 9 HA VAL 9 2.177 3.307 -1.513
75 HB VAL 9 HB VAL 9 4.683 2.966 -2.781
76 HG11 VAL 9 1HG1 VAL 9 4.333 2.772 -5.205
77 HG12 VAL 9 2HG1 VAL 9 2.585 2.493 -5.005
78 HG13 VAL 9 3HG1 VAL 9 3.754 1.276 -4.450
79 HG21 VAL 9 1HG2 VAL 9 3.577 5.057 -2.311
80 HG22 VAL 9 2HG2 VAL 9 2.400 4.790 -3.629
81 HG23 VAL 9 3HG2 VAL 9 4.149 4.985 -3.990
82 H ASP 10 H ASP 10 2.115 -0.003 -1.317
83 HA ASP 10 HA ASP 10 -0.045 -0.585 -3.219
84 HB2 ASP 10 2HB ASP 10 2.164 -2.048 -3.294
85 HB3 ASP 10 1HB ASP 10 1.614 -2.608 -1.732
86 HD2 ASP 10 HD2 ASP 10 -0.876 -4.670 -2.905
87 H TYR 11 H TYR 11 1.277 -0.645 0.069
88 HA TYR 11 HA TYR 11 -0.989 -1.740 1.521
89 HB2 TYR 11 1HB TYR 11 1.564 -1.499 2.265
90 HB3 TYR 11 2HB TYR 11 1.091 0.082 2.707
91 HD1 TYR 11 HD1 TYR 11 0.184 -3.511 3.253
92 HD2 TYR 11 HD2 TYR 11 -0.335 0.485 4.700
93 HE1 TYR 11 HE1 TYR 11 -0.719 -4.401 5.380
94 HE2 TYR 11 HE2 TYR 11 -1.237 -0.395 6.826
95 HH TYR 11 HH TYR 11 -1.558 -3.905 7.378
96 H ILE 12 H ILE 12 -0.121 1.616 0.823
97 HA ILE 12 HA ILE 12 -2.207 2.797 2.544
98 HB ILE 12 HB ILE 12 -0.054 4.008 0.879
99 HG12 ILE 12 2HG1 ILE 12 0.325 5.420 2.990
100 HG13 ILE 12 1HG1 ILE 12 -0.938 4.506 3.792
101 HG21 ILE 12 1HG2 ILE 12 -0.911 6.343 1.237
102 HG22 ILE 12 2HG2 ILE 12 -1.969 5.404 0.181
103 HG23 ILE 12 3HG2 ILE 12 -2.438 5.677 1.877
104 HD11 ILE 12 1HD1 ILE 12 0.495 2.426 3.650
105 HD12 ILE 12 2HD1 ILE 12 1.715 3.332 2.712
106 HD13 ILE 12 3HD1 ILE 12 1.383 3.764 4.403
107 H GLN 13 H GLN 13 -1.550 2.581 -0.960
108 HA GLN 13 HA GLN 13 -4.132 3.280 -1.875
109 HB2 GLN 13 2HB GLN 13 -2.238 1.412 -3.277
110 HB3 GLN 13 1HB GLN 13 -3.684 2.075 -3.939
111 HG2 GLN 13 1HG GLN 13 -2.882 4.416 -3.713
112 HG3 GLN 13 2HG GLN 13 -1.395 3.858 -2.963
113 HE21 GLN 13 1HE2 GLN 13 0.038 4.545 -4.518
114 HE22 GLN 13 2HE2 GLN 13 0.015 3.985 -6.265
115 H LYS 14 H LYS 14 -3.074 0.102 -0.571
116 HA LYS 14 HA LYS 14 -5.509 -1.301 -1.389
117 HB2 LYS 14 1HB LYS 14 -3.448 -2.521 -0.888
118 HB3 LYS 14 2HB LYS 14 -3.532 -2.062 0.824
119 HG2 LYS 14 1HG LYS 14 -5.723 -3.362 0.964
120 HG3 LYS 14 2HG LYS 14 -5.557 -3.809 -0.729
121 HD2 LYS 14 1HD LYS 14 -3.627 -4.552 1.564
122 HD3 LYS 14 2HD LYS 14 -4.848 -5.611 0.898
123 HE2 LYS 14 2HE LYS 14 -2.369 -4.578 -0.645
124 HE3 LYS 14 1HE LYS 14 -2.528 -6.157 0.112
125 HZ2 LYS 14 1HZ LYS 14 -2.974 -6.234 -2.243
126 HZ3 LYS 14 2HZ LYS 14 -4.200 -5.161 -2.122
127 H ASN 15 H ASN 15 -4.581 0.258 1.676
128 HA ASN 15 HA ASN 15 -6.765 -0.347 3.398
129 HB2 ASN 15 2HB ASN 15 -4.523 0.927 3.875
130 HB3 ASN 15 1HB ASN 15 -5.429 2.344 3.290
131 HD21 ASN 15 1HD2 ASN 15 -5.015 3.250 5.369
132 HD22 ASN 15 2HD2 ASN 15 -6.007 2.752 6.831
133 H GLN 16 H GLN 16 -6.368 2.424 1.314
134 HA GLN 16 HA GLN 16 -8.935 3.636 1.840
135 HB2 GLN 16 1HB GLN 16 -8.087 5.454 0.715
136 HB3 GLN 16 2HB GLN 16 -6.679 4.721 1.418
137 HG2 GLN 16 1HG GLN 16 -6.166 3.629 -0.855
138 HG3 GLN 16 2HG GLN 16 -7.497 4.522 -1.564
139 HE21 GLN 16 2HE2 GLN 16 -7.236 6.803 -1.854
140 HE22 GLN 16 1HE2 GLN 16 -5.595 7.605 -1.684
141 H ASN 17 H ASN 17 -7.940 1.522 -0.838
142 HA ASN 17 HA ASN 17 -10.344 2.073 -2.404
143 HB2 ASN 17 2HB ASN 17 -9.744 0.395 -3.989
144 HB3 ASN 17 1HB ASN 17 -8.386 1.407 -3.613
145 HD21 ASN 17 2HD2 ASN 17 -9.676 -1.752 -2.371
146 HD22 ASN 17 1HD2 ASN 17 -8.063 -2.597 -2.597
147 H LEU 18 H LEU 18 -9.802 -0.410 0.068
148 HA LEU 18 HA LEU 18 -12.036 -2.000 -0.331
149 HB2 LEU 18 1HB LEU 18 -10.682 -1.244 2.293
150 HB3 LEU 18 2HB LEU 18 -11.704 -2.648 2.066
151 HG LEU 18 HG LEU 18 -9.215 -2.194 0.339
152 HD11 LEU 18 1HD1 LEU 18 -8.476 -2.176 2.693
153 HD12 LEU 18 2HD1 LEU 18 -9.320 -3.720 3.001
154 HD13 LEU 18 3HD1 LEU 18 -7.930 -3.651 1.874
155 HD21 LEU 18 1HD2 LEU 18 -10.722 -3.779 -0.650
156 HD22 LEU 18 2HD2 LEU 18 -10.799 -4.733 0.861
157 HD23 LEU 18 3HD2 LEU 18 -9.266 -4.603 -0.070
158 H PHE 19 H PHE 19 -13.590 0.123 -0.899
159 HA PHE 19 HA PHE 19 -14.981 1.291 1.290
160 HB2 PHE 19 1HB PHE 19 -15.993 1.238 -1.520
161 HB3 PHE 19 2HB PHE 19 -16.367 2.345 -0.235
162 HD1 PHE 19 HD1 PHE 19 -14.471 3.901 0.700
163 HD2 PHE 19 HD2 PHE 19 -14.031 1.693 -2.965
164 HE1 PHE 19 HE1 PHE 19 -12.841 5.557 -0.114
165 HE2 PHE 19 HE2 PHE 19 -12.390 3.343 -3.752
166 HZ PHE 19 HZ PHE 19 -11.801 5.284 -2.340
167 H LYS 20 H LYS 20 -16.593 -0.756 -1.131
168 HA LYS 20 HA LYS 20 -18.745 -1.466 0.674
169 HB2 LYS 20 1HB LYS 20 -18.916 -1.119 -1.798
170 HB3 LYS 20 2HB LYS 20 -18.236 -2.731 -1.987
171 HG2 LYS 20 2HG LYS 20 -20.852 -2.075 -0.479
172 HG3 LYS 20 1HG LYS 20 -20.770 -2.454 -2.190
173 HD2 LYS 20 1HD LYS 20 -19.764 -4.732 -1.618
174 HD3 LYS 20 2HD LYS 20 -20.034 -4.404 0.086
175 HE2 LYS 20 1HE LYS 20 -22.262 -4.491 -2.062
176 HE3 LYS 20 2HE LYS 20 -21.813 -5.837 -1.019
177 HZ2 LYS 20 1HZ LYS 20 -23.696 -4.689 -0.139
178 HZ3 LYS 20 2HZ LYS 20 -22.446 -4.551 0.905