NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9936 |
1p0o   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 0.235 17.892 4.582
2 2H ALA 1 HT2 ALA 1 -1.341 18.422 5.007
3 3H ALA 1 HT3 ALA 1 -1.139 17.078 3.959
4 HA ALA 1 HA ALA 1 -0.342 17.231 6.787
5 1HB ALA 1 HB1 ALA 1 -2.857 16.973 5.880
6 2HB ALA 1 HB2 ALA 1 -2.267 16.197 7.350
7 3HB ALA 1 HB3 ALA 1 -2.347 15.285 5.843
8 H LYS 2 HN LYS 2 -0.102 14.854 7.563
9 HA LYS 2 HA LYS 2 1.779 13.567 5.721
10 1HB LYS 2 HB2 LYS 2 2.679 12.435 7.676
11 2HB LYS 2 HB1 LYS 2 2.615 14.169 7.960
12 1HG LYS 2 HG2 LYS 2 0.220 12.753 8.842
13 2HG LYS 2 HG1 LYS 2 1.697 12.241 9.662
14 1HD LYS 2 HD2 LYS 2 1.952 14.967 9.657
15 2HD LYS 2 HD1 LYS 2 0.211 14.756 9.853
16 1HE LYS 2 HE2 LYS 2 1.105 12.921 11.606
17 2HE LYS 2 HE1 LYS 2 2.427 14.085 11.684
18 1HZ LYS 2 HZ1 LYS 2 0.277 14.293 13.181
19 2HZ LYS 2 HZ2 LYS 2 -0.291 15.139 11.830
20 3HZ LYS 2 HZ3 LYS 2 1.113 15.654 12.621
21 H LYS 3 HN LYS 3 -0.649 13.077 4.836
22 HA LYS 3 HA LYS 3 -1.560 10.526 5.975
23 1HB LYS 3 HB2 LYS 3 -3.556 10.817 4.619
24 2HB LYS 3 HB1 LYS 3 -3.259 12.275 5.556
25 1HG LYS 3 HG2 LYS 3 -1.930 12.687 3.141
26 2HG LYS 3 HG1 LYS 3 -3.464 11.931 2.704
27 1HD LYS 3 HD2 LYS 3 -4.668 13.733 3.320
28 2HD LYS 3 HD1 LYS 3 -3.664 14.042 4.738
29 1HE LYS 3 HE2 LYS 3 -2.651 15.696 3.659
30 2HE LYS 3 HE1 LYS 3 -2.093 14.559 2.434
31 1HZ LYS 3 HZ1 LYS 3 -3.300 16.141 1.257
32 2HZ LYS 3 HZ2 LYS 3 -4.529 16.229 2.416
33 3HZ LYS 3 HZ3 LYS 3 -4.397 14.864 1.427
34 H VAL 4 HN VAL 4 0.899 10.524 4.672
35 HA VAL 4 HA VAL 4 0.710 9.589 1.992
36 HB VAL 4 HB VAL 4 2.795 8.834 4.058
37 1HG1 VAL 4 HG11 VAL 4 2.922 8.843 1.044
38 2HG1 VAL 4 HG12 VAL 4 2.773 7.411 2.063
39 3HG1 VAL 4 HG13 VAL 4 4.231 8.401 2.141
40 1HG2 VAL 4 HG21 VAL 4 4.127 10.681 3.187
41 2HG2 VAL 4 HG22 VAL 4 2.603 11.266 3.852
42 3HG2 VAL 4 HG23 VAL 4 2.810 11.134 2.105
43 H PHE 5 HN PHE 5 -0.172 8.407 5.001
44 HA PHE 5 HA PHE 5 0.072 5.737 5.078
45 1HB PHE 5 HB2 PHE 5 -1.043 7.252 6.739
46 2HB PHE 5 HB1 PHE 5 -2.459 7.255 5.701
47 HD1 PHE 5 HD1 PHE 5 -3.967 5.408 5.655
48 HD2 PHE 5 HD2 PHE 5 -0.355 5.180 7.894
49 HE1 PHE 5 HE1 PHE 5 -4.791 3.376 6.771
50 HE2 PHE 5 HE2 PHE 5 -1.172 3.147 9.013
51 HZ PHE 5 HZ PHE 5 -3.393 2.242 8.452
52 H LYS 6 HN LYS 6 -1.902 7.547 2.951
53 HA LYS 6 HA LYS 6 -3.617 5.476 2.074
54 1HB LYS 6 HB2 LYS 6 -3.239 8.229 1.500
55 2HB LYS 6 HB1 LYS 6 -3.138 7.370 -0.031
56 1HG LYS 6 HG2 LYS 6 -5.322 6.208 1.106
57 2HG LYS 6 HG1 LYS 6 -5.438 7.863 1.706
58 1HD LYS 6 HD2 LYS 6 -6.620 7.895 -0.314
59 2HD LYS 6 HD1 LYS 6 -5.043 8.573 -0.722
60 1HE LYS 6 HE2 LYS 6 -4.438 6.109 -1.303
61 2HE LYS 6 HE1 LYS 6 -6.186 5.892 -1.389
62 1HZ LYS 6 HZ1 LYS 6 -4.864 8.079 -2.863
63 2HZ LYS 6 HZ2 LYS 6 -6.360 7.349 -3.164
64 3HZ LYS 6 HZ3 LYS 6 -4.929 6.517 -3.512
65 H ARG 7 HN ARG 7 -0.535 6.736 0.855
66 HA ARG 7 HA ARG 7 -0.366 5.065 -1.405
67 1HB ARG 7 HB2 ARG 7 1.597 6.625 0.219
68 2HB ARG 7 HB1 ARG 7 2.211 5.433 -0.918
69 1HG ARG 7 HG2 ARG 7 2.060 6.972 -2.501
70 2HG ARG 7 HG1 ARG 7 0.305 6.881 -2.347
71 1HD ARG 7 HD2 ARG 7 0.580 9.107 -1.962
72 2HD ARG 7 HD1 ARG 7 0.778 8.516 -0.313
73 HE ARG 7 HE ARG 7 3.299 8.510 -1.422
74 1HH1 ARG 7 HH11 ARG 7 0.821 10.886 -0.793
75 2HH1 ARG 7 HH12 ARG 7 1.945 12.185 -0.582
76 1HH2 ARG 7 HH21 ARG 7 4.779 10.218 -1.144
77 2HH2 ARG 7 HH22 ARG 7 4.193 11.807 -0.782
78 H LEU 8 HN LEU 8 0.370 4.584 1.975
79 HA LEU 8 HA LEU 8 1.893 2.221 1.720
80 1HB LEU 8 HB2 LEU 8 1.141 3.853 3.794
81 2HB LEU 8 HB1 LEU 8 0.194 2.411 4.107
82 HG LEU 8 HG LEU 8 2.259 1.062 4.094
83 1HD1 LEU 8 HD11 LEU 8 3.895 2.009 2.854
84 2HD1 LEU 8 HD12 LEU 8 4.356 2.691 4.413
85 3HD1 LEU 8 HD13 LEU 8 3.416 3.653 3.273
86 1HD2 LEU 8 HD21 LEU 8 1.795 3.292 5.994
87 2HD2 LEU 8 HD22 LEU 8 3.303 2.391 6.141
88 3HD2 LEU 8 HD23 LEU 8 1.758 1.549 6.259
89 H GLU 9 HN GLU 9 -1.549 2.874 1.780
90 HA GLU 9 HA GLU 9 -2.422 0.215 2.181
91 1HB GLU 9 HB2 GLU 9 -3.647 2.750 1.239
92 2HB GLU 9 HB1 GLU 9 -4.469 1.264 0.785
93 1HG GLU 9 HG2 GLU 9 -4.717 0.631 3.084
94 2HG GLU 9 HG1 GLU 9 -3.735 1.998 3.608
95 H LYS 10 HN LYS 10 -1.461 2.032 -0.661
96 HA LYS 10 HA LYS 10 -2.397 0.153 -2.576
97 1HB LYS 10 HB2 LYS 10 -1.693 2.603 -2.950
98 2HB LYS 10 HB1 LYS 10 -0.045 1.991 -2.988
99 1HG LYS 10 HG2 LYS 10 -0.316 0.980 -5.003
100 2HG LYS 10 HG1 LYS 10 -2.032 0.666 -4.741
101 1HD LYS 10 HD2 LYS 10 -2.147 3.314 -4.845
102 2HD LYS 10 HD1 LYS 10 -0.677 3.092 -5.796
103 1HE LYS 10 HE2 LYS 10 -1.806 1.753 -7.392
104 2HE LYS 10 HE1 LYS 10 -3.225 1.596 -6.359
105 1HZ LYS 10 HZ1 LYS 10 -2.440 3.773 -8.112
106 2HZ LYS 10 HZ2 LYS 10 -3.105 4.236 -6.627
107 3HZ LYS 10 HZ3 LYS 10 -3.984 3.239 -7.672
108 H LEU 11 HN LEU 11 0.699 0.658 -0.941
109 HA LEU 11 HA LEU 11 2.115 -1.375 -2.293
110 1HB LEU 11 HB2 LEU 11 2.492 0.251 0.142
111 2HB LEU 11 HB1 LEU 11 3.319 -1.295 0.146
112 HG LEU 11 HG LEU 11 3.618 0.731 -2.067
113 1HD1 LEU 11 HD11 LEU 11 5.454 0.257 0.276
114 2HD1 LEU 11 HD12 LEU 11 4.385 1.648 0.092
115 3HD1 LEU 11 HD13 LEU 11 5.704 1.391 -1.052
116 1HD2 LEU 11 HD21 LEU 11 5.842 -0.710 -2.155
117 2HD2 LEU 11 HD22 LEU 11 4.373 -1.205 -2.997
118 3HD2 LEU 11 HD23 LEU 11 4.782 -1.925 -1.440
119 H PHE 12 HN PHE 12 -0.116 -1.382 0.387
120 HA PHE 12 HA PHE 12 0.484 -3.963 1.385
121 1HB PHE 12 HB2 PHE 12 -1.016 -1.992 2.343
122 2HB PHE 12 HB1 PHE 12 -2.297 -2.883 1.530
123 HD1 PHE 12 HD1 PHE 12 -2.194 -5.518 2.008
124 HD2 PHE 12 HD2 PHE 12 -0.651 -2.473 4.549
125 HE1 PHE 12 HE1 PHE 12 -2.353 -7.046 3.930
126 HE2 PHE 12 HE2 PHE 12 -0.806 -3.995 6.475
127 HZ PHE 12 HZ PHE 12 -1.658 -6.285 6.167
128 H SER 13 HN SER 13 -1.529 -2.768 -1.221
129 HA SER 13 HA SER 13 -3.001 -5.132 -1.688
130 1HB SER 13 HB2 SER 13 -3.807 -3.128 -2.697
131 2HB SER 13 HB1 SER 13 -2.254 -2.810 -3.471
132 HG SER 13 HG SER 13 -4.004 -4.968 -4.059
133 H LYS 14 HN LYS 14 0.149 -4.006 -2.787
134 HA LYS 14 HA LYS 14 0.588 -6.014 -4.723
135 1HB LYS 14 HB2 LYS 14 2.008 -3.808 -3.694
136 2HB LYS 14 HB1 LYS 14 3.041 -5.206 -3.431
137 1HG LYS 14 HG2 LYS 14 2.186 -5.586 -6.003
138 2HG LYS 14 HG1 LYS 14 2.335 -3.831 -5.902
139 1HD LYS 14 HD2 LYS 14 4.532 -4.043 -6.174
140 2HD LYS 14 HD1 LYS 14 4.610 -4.893 -4.630
141 1HE LYS 14 HE2 LYS 14 3.718 -6.844 -6.336
142 2HE LYS 14 HE1 LYS 14 4.819 -5.922 -7.359
143 1HZ LYS 14 HZ1 LYS 14 5.757 -6.593 -4.682
144 2HZ LYS 14 HZ2 LYS 14 6.607 -6.533 -6.143
145 3HZ LYS 14 HZ3 LYS 14 5.635 -7.870 -5.785
146 H ILE 15 HN ILE 15 0.980 -5.902 -1.252
147 HA ILE 15 HA ILE 15 2.555 -8.236 -0.970
148 HB ILE 15 HB ILE 15 0.574 -7.142 1.031
149 1HG1 ILE 15 HG12 ILE 15 3.485 -6.422 0.613
150 2HG1 ILE 15 HG11 ILE 15 2.107 -5.375 0.287
151 1HG2 ILE 15 HG21 ILE 15 1.481 -8.515 2.574
152 2HG2 ILE 15 HG22 ILE 15 3.100 -8.396 1.885
153 3HG2 ILE 15 HG23 ILE 15 1.910 -9.475 1.158
154 1HD1 ILE 15 HD11 ILE 15 2.927 -6.425 2.985
155 2HD1 ILE 15 HD12 ILE 15 1.548 -5.375 2.661
156 3HD1 ILE 15 HD13 ILE 15 3.187 -4.789 2.378
157 H TRP 16 HN TRP 16 -0.870 -7.659 -1.352
158 HA TRP 16 HA TRP 16 -1.775 -10.222 -0.553
159 1HB TRP 16 HB2 TRP 16 -2.917 -7.892 -1.988
160 2HB TRP 16 HB1 TRP 16 -3.694 -9.444 -2.285
161 HD1 TRP 16 HD1 TRP 16 -2.291 -8.217 1.105
162 HE1 TRP 16 HE1 TRP 16 -4.225 -8.183 2.803
163 HE3 TRP 16 HE3 TRP 16 -6.140 -9.453 -2.024
164 HZ2 TRP 16 HZ2 TRP 16 -7.014 -8.622 2.814
165 HZ3 TRP 16 HZ3 TRP 16 -8.410 -9.626 -1.091
166 HH2 TRP 16 HH2 TRP 16 -8.836 -9.219 1.279
167 H ASN 17 HN ASN 17 -0.499 -8.921 -3.536
168 HA ASN 17 HA ASN 17 -1.311 -11.077 -5.210
169 1HB ASN 17 HB2 ASN 17 -0.142 -8.584 -5.597
170 2HB ASN 17 HB1 ASN 17 1.118 -9.717 -6.076
171 1HD2 ASN 17 HD21 ASN 17 -0.379 -7.889 -7.728
172 2HD2 ASN 17 HD22 ASN 17 -1.198 -8.847 -8.910
173 H TRP 18 HN TRP 18 1.455 -10.459 -3.159
174 HA TRP 18 HA TRP 18 2.927 -12.741 -4.166
175 1HB TRP 18 HB2 TRP 18 3.535 -10.400 -2.628
176 2HB TRP 18 HB1 TRP 18 4.049 -11.821 -1.727
177 HD1 TRP 18 HD1 TRP 18 5.811 -9.515 -3.489
178 HE1 TRP 18 HE1 TRP 18 7.660 -10.461 -5.007
179 HE3 TRP 18 HE3 TRP 18 4.192 -14.354 -3.823
180 HZ2 TRP 18 HZ2 TRP 18 8.344 -12.932 -6.189
181 HZ3 TRP 18 HZ3 TRP 18 5.502 -15.945 -5.167
182 HH2 TRP 18 HH2 TRP 18 7.534 -15.247 -6.326
183 H LYS 19 HN LYS 19 0.815 -11.955 -1.506
184 HA LYS 19 HA LYS 19 1.433 -14.031 0.257
185 1HB LYS 19 HB2 LYS 19 -0.032 -12.155 0.849
186 2HB LYS 19 HB1 LYS 19 -1.252 -12.743 -0.272
187 1HG LYS 19 HG2 LYS 19 -0.351 -14.657 1.781
188 2HG LYS 19 HG1 LYS 19 -1.271 -13.265 2.356
189 1HD LYS 19 HD2 LYS 19 -2.221 -14.921 0.040
190 2HD LYS 19 HD1 LYS 19 -2.564 -15.390 1.707
191 1HE LYS 19 HE2 LYS 19 -3.288 -12.788 1.766
192 2HE LYS 19 HE1 LYS 19 -3.661 -13.185 0.089
193 1HZ LYS 19 HZ1 LYS 19 -5.029 -15.017 0.860
194 2HZ LYS 19 HZ2 LYS 19 -5.557 -13.562 1.542
195 3HZ LYS 19 HZ3 LYS 19 -4.659 -14.654 2.471
196 1HN NH2 20 NH1 NH2 20 0.525 -16.068 0.585
197 2HN NH2 20 NH2 NH2 20 -0.239 -16.955 -0.685
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 -4.676 15.010 3.085
2 2H ALA 1 HT2 ALA 1 -3.749 16.245 2.338
3 3H ALA 1 HT3 ALA 1 -4.958 16.652 3.486
4 HA ALA 1 HA ALA 1 -3.091 16.844 4.702
5 1HB ALA 1 HB1 ALA 1 -2.931 14.656 6.037
6 2HB ALA 1 HB2 ALA 1 -4.219 14.081 4.979
7 3HB ALA 1 HB3 ALA 1 -4.481 15.496 5.998
8 H LYS 2 HN LYS 2 -0.996 15.855 5.466
9 HA LYS 2 HA LYS 2 0.481 14.900 3.123
10 1HB LYS 2 HB2 LYS 2 1.039 16.949 4.830
11 2HB LYS 2 HB1 LYS 2 1.989 15.651 5.541
12 1HG LYS 2 HG2 LYS 2 2.220 15.974 2.620
13 2HG LYS 2 HG1 LYS 2 2.895 17.271 3.609
14 1HD LYS 2 HD2 LYS 2 3.894 15.186 4.937
15 2HD LYS 2 HD1 LYS 2 3.736 14.439 3.345
16 1HE LYS 2 HE2 LYS 2 5.243 15.897 2.368
17 2HE LYS 2 HE1 LYS 2 5.012 17.128 3.609
18 1HZ LYS 2 HZ1 LYS 2 6.199 15.721 5.174
19 2HZ LYS 2 HZ2 LYS 2 7.161 16.046 3.820
20 3HZ LYS 2 HZ3 LYS 2 6.416 14.537 3.985
21 H LYS 3 HN LYS 3 -1.028 12.944 4.230
22 HA LYS 3 HA LYS 3 1.027 11.142 5.274
23 1HB LYS 3 HB2 LYS 3 -0.439 10.280 7.026
24 2HB LYS 3 HB1 LYS 3 -0.144 11.996 7.266
25 1HG LYS 3 HG2 LYS 3 -2.332 12.493 6.260
26 2HG LYS 3 HG1 LYS 3 -2.628 10.760 6.096
27 1HD LYS 3 HD2 LYS 3 -1.831 11.612 8.789
28 2HD LYS 3 HD1 LYS 3 -3.370 12.276 8.237
29 1HE LYS 3 HE2 LYS 3 -2.986 9.412 7.703
30 2HE LYS 3 HE1 LYS 3 -3.068 9.846 9.410
31 1HZ LYS 3 HZ1 LYS 3 -5.083 11.051 7.701
32 2HZ LYS 3 HZ2 LYS 3 -5.229 10.400 9.255
33 3HZ LYS 3 HZ3 LYS 3 -5.209 9.376 7.909
34 H VAL 4 HN VAL 4 -0.064 11.360 2.719
35 HA VAL 4 HA VAL 4 -2.078 9.383 2.271
36 HB VAL 4 HB VAL 4 0.085 10.266 0.341
37 1HG1 VAL 4 HG11 VAL 4 -2.325 8.582 0.136
38 2HG1 VAL 4 HG12 VAL 4 -0.834 8.554 -0.806
39 3HG1 VAL 4 HG13 VAL 4 -2.084 9.744 -1.169
40 1HG2 VAL 4 HG21 VAL 4 -1.643 11.979 1.494
41 2HG2 VAL 4 HG22 VAL 4 -2.620 11.423 0.135
42 3HG2 VAL 4 HG23 VAL 4 -1.044 12.159 -0.155
43 H PHE 5 HN PHE 5 1.087 9.353 3.282
44 HA PHE 5 HA PHE 5 2.387 7.227 2.265
45 1HB PHE 5 HB2 PHE 5 3.178 8.822 4.019
46 2HB PHE 5 HB1 PHE 5 2.201 7.950 5.189
47 HD1 PHE 5 HD1 PHE 5 4.351 6.628 2.455
48 HD2 PHE 5 HD2 PHE 5 3.724 6.988 6.649
49 HE1 PHE 5 HE1 PHE 5 6.224 5.085 2.864
50 HE2 PHE 5 HE2 PHE 5 5.596 5.447 7.066
51 HZ PHE 5 HZ PHE 5 6.848 4.493 5.172
52 H LYS 6 HN LYS 6 -0.389 7.186 4.252
53 HA LYS 6 HA LYS 6 -0.249 4.494 5.127
54 1HB LYS 6 HB2 LYS 6 -1.785 6.518 5.892
55 2HB LYS 6 HB1 LYS 6 -2.890 5.828 4.710
56 1HG LYS 6 HG2 LYS 6 -1.762 3.829 6.496
57 2HG LYS 6 HG1 LYS 6 -2.659 5.088 7.347
58 1HD LYS 6 HD2 LYS 6 -3.995 4.107 4.935
59 2HD LYS 6 HD1 LYS 6 -3.758 2.870 6.171
60 1HE LYS 6 HE2 LYS 6 -5.249 3.805 7.569
61 2HE LYS 6 HE1 LYS 6 -4.720 5.444 7.194
62 1HZ LYS 6 HZ1 LYS 6 -6.556 3.761 5.578
63 2HZ LYS 6 HZ2 LYS 6 -5.968 5.269 5.089
64 3HZ LYS 6 HZ3 LYS 6 -6.962 5.151 6.453
65 H ARG 7 HN ARG 7 -1.680 6.086 2.323
66 HA ARG 7 HA ARG 7 -3.040 3.855 1.282
67 1HB ARG 7 HB2 ARG 7 -2.083 6.455 0.210
68 2HB ARG 7 HB1 ARG 7 -2.426 5.192 -0.966
69 1HG ARG 7 HG2 ARG 7 -4.692 5.004 -0.175
70 2HG ARG 7 HG1 ARG 7 -4.369 6.155 1.122
71 1HD ARG 7 HD2 ARG 7 -5.212 7.656 -0.323
72 2HD ARG 7 HD1 ARG 7 -3.602 7.596 -1.037
73 HE ARG 7 HE ARG 7 -6.045 6.479 -2.127
74 1HH1 ARG 7 HH11 ARG 7 -2.558 6.608 -2.297
75 2HH1 ARG 7 HH12 ARG 7 -2.495 6.038 -3.930
76 1HH2 ARG 7 HH21 ARG 7 -5.958 5.732 -4.274
77 2HH2 ARG 7 HH22 ARG 7 -4.422 5.542 -5.052
78 H LEU 8 HN LEU 8 0.304 4.882 1.136
79 HA LEU 8 HA LEU 8 1.160 3.191 -0.948
80 1HB LEU 8 HB2 LEU 8 2.450 4.706 1.247
81 2HB LEU 8 HB1 LEU 8 3.376 3.376 0.578
82 HG LEU 8 HG LEU 8 2.403 4.822 -1.634
83 1HD1 LEU 8 HD11 LEU 8 2.208 6.572 0.378
84 2HD1 LEU 8 HD12 LEU 8 2.668 7.035 -1.260
85 3HD1 LEU 8 HD13 LEU 8 3.909 6.793 -0.032
86 1HD2 LEU 8 HD21 LEU 8 5.168 5.059 -0.491
87 2HD2 LEU 8 HD22 LEU 8 4.668 5.040 -2.183
88 3HD2 LEU 8 HD23 LEU 8 4.587 3.563 -1.223
89 H GLU 9 HN GLU 9 0.902 2.719 2.551
90 HA GLU 9 HA GLU 9 2.103 0.163 2.619
91 1HB GLU 9 HB2 GLU 9 0.516 1.840 4.445
92 2HB GLU 9 HB1 GLU 9 0.319 0.112 4.702
93 1HG GLU 9 HG2 GLU 9 2.947 1.579 4.660
94 2HG GLU 9 HG1 GLU 9 2.075 1.076 6.108
95 H LYS 10 HN LYS 10 -1.111 1.281 1.860
96 HA LYS 10 HA LYS 10 -2.424 -1.225 2.026
97 1HB LYS 10 HB2 LYS 10 -3.183 1.409 1.535
98 2HB LYS 10 HB1 LYS 10 -3.535 0.579 0.026
99 1HG LYS 10 HG2 LYS 10 -5.490 0.133 1.027
100 2HG LYS 10 HG1 LYS 10 -4.579 -1.170 1.793
101 1HD LYS 10 HD2 LYS 10 -4.816 1.580 2.993
102 2HD LYS 10 HD1 LYS 10 -5.968 0.288 3.333
103 1HE LYS 10 HE2 LYS 10 -4.583 -0.255 5.005
104 2HE LYS 10 HE1 LYS 10 -3.570 -0.958 3.745
105 1HZ LYS 10 HZ1 LYS 10 -2.065 0.689 3.915
106 2HZ LYS 10 HZ2 LYS 10 -2.709 0.868 5.468
107 3HZ LYS 10 HZ3 LYS 10 -3.221 1.887 4.219
108 H LEU 11 HN LEU 11 -0.736 0.494 -0.551
109 HA LEU 11 HA LEU 11 -1.408 -1.290 -2.639
110 1HB LEU 11 HB2 LEU 11 0.609 0.844 -2.211
111 2HB LEU 11 HB1 LEU 11 0.959 -0.325 -3.471
112 HG LEU 11 HG LEU 11 -0.133 1.658 -4.383
113 1HD1 LEU 11 HD11 LEU 11 -1.359 0.489 -5.870
114 2HD1 LEU 11 HD12 LEU 11 -2.307 -0.317 -4.621
115 3HD1 LEU 11 HD13 LEU 11 -0.687 -0.896 -5.010
116 1HD2 LEU 11 HD21 LEU 11 -1.398 2.322 -2.408
117 2HD2 LEU 11 HD22 LEU 11 -2.438 0.909 -2.588
118 3HD2 LEU 11 HD23 LEU 11 -2.453 2.176 -3.814
119 H PHE 12 HN PHE 12 1.194 -1.219 -0.265
120 HA PHE 12 HA PHE 12 2.697 -3.348 -1.384
121 1HB PHE 12 HB2 PHE 12 3.144 -1.564 0.623
122 2HB PHE 12 HB1 PHE 12 2.784 -3.016 1.552
123 HD1 PHE 12 HD1 PHE 12 4.789 -2.060 -1.451
124 HD2 PHE 12 HD2 PHE 12 4.574 -4.304 2.159
125 HE1 PHE 12 HE1 PHE 12 7.090 -2.853 -1.812
126 HE2 PHE 12 HE2 PHE 12 6.875 -5.101 1.805
127 HZ PHE 12 HZ PHE 12 8.136 -4.375 -0.183
128 H SER 13 HN SER 13 -0.083 -3.170 0.710
129 HA SER 13 HA SER 13 -0.006 -5.841 1.658
130 1HB SER 13 HB2 SER 13 -2.105 -3.705 1.514
131 2HB SER 13 HB1 SER 13 -2.576 -5.354 1.926
132 HG SER 13 HG SER 13 -0.814 -5.180 3.552
133 H LYS 14 HN LYS 14 -1.265 -4.304 -1.225
134 HA LYS 14 HA LYS 14 -2.842 -6.472 -2.133
135 1HB LYS 14 HB2 LYS 14 -2.169 -3.872 -3.041
136 2HB LYS 14 HB1 LYS 14 -1.755 -4.986 -4.337
137 1HG LYS 14 HG2 LYS 14 -3.974 -4.288 -4.724
138 2HG LYS 14 HG1 LYS 14 -4.070 -5.940 -4.111
139 1HD LYS 14 HD2 LYS 14 -4.201 -4.505 -1.805
140 2HD LYS 14 HD1 LYS 14 -5.024 -3.424 -2.931
141 1HE LYS 14 HE2 LYS 14 -6.578 -5.157 -3.539
142 2HE LYS 14 HE1 LYS 14 -5.695 -6.341 -2.576
143 1HZ LYS 14 HZ1 LYS 14 -6.205 -4.598 -0.692
144 2HZ LYS 14 HZ2 LYS 14 -7.326 -5.791 -1.117
145 3HZ LYS 14 HZ3 LYS 14 -7.504 -4.216 -1.707
146 H ILE 15 HN ILE 15 0.558 -5.691 -2.366
147 HA ILE 15 HA ILE 15 1.219 -7.571 -4.386
148 HB ILE 15 HB ILE 15 3.034 -6.548 -2.198
149 1HG1 ILE 15 HG12 ILE 15 2.469 -5.355 -4.923
150 2HG1 ILE 15 HG11 ILE 15 1.929 -4.688 -3.385
151 1HG2 ILE 15 HG21 ILE 15 3.595 -7.662 -4.943
152 2HG2 ILE 15 HG22 ILE 15 3.968 -8.422 -3.396
153 3HG2 ILE 15 HG23 ILE 15 4.804 -6.946 -3.877
154 1HD1 ILE 15 HD11 ILE 15 3.807 -3.433 -3.992
155 2HD1 ILE 15 HD12 ILE 15 4.720 -4.868 -4.460
156 3HD1 ILE 15 HD13 ILE 15 4.382 -4.554 -2.758
157 H TRP 16 HN TRP 16 0.951 -7.740 -0.886
158 HA TRP 16 HA TRP 16 2.139 -10.296 -0.587
159 1HB TRP 16 HB2 TRP 16 0.194 -8.765 1.148
160 2HB TRP 16 HB1 TRP 16 0.903 -10.307 1.617
161 HD1 TRP 16 HD1 TRP 16 1.365 -6.951 2.513
162 HE1 TRP 16 HE1 TRP 16 3.800 -6.367 3.103
163 HE3 TRP 16 HE3 TRP 16 3.704 -10.972 0.388
164 HZ2 TRP 16 HZ2 TRP 16 6.371 -7.464 2.721
165 HZ3 TRP 16 HZ3 TRP 16 6.154 -11.128 0.546
166 HH2 TRP 16 HH2 TRP 16 7.459 -9.409 1.688
167 H ASN 17 HN ASN 17 -1.043 -9.191 -1.473
168 HA ASN 17 HA ASN 17 -2.396 -11.658 -1.025
169 1HB ASN 17 HB2 ASN 17 -3.272 -9.162 -1.457
170 2HB ASN 17 HB1 ASN 17 -3.393 -9.777 -3.103
171 1HD2 ASN 17 HD21 ASN 17 -5.073 -11.021 -3.634
172 2HD2 ASN 17 HD22 ASN 17 -6.263 -11.606 -2.527
173 H TRP 18 HN TRP 18 -0.573 -10.282 -3.675
174 HA TRP 18 HA TRP 18 -1.388 -12.353 -5.530
175 1HB TRP 18 HB2 TRP 18 -0.253 -9.766 -5.753
176 2HB TRP 18 HB1 TRP 18 0.909 -10.895 -6.443
177 HD1 TRP 18 HD1 TRP 18 -0.024 -12.456 -8.511
178 HE1 TRP 18 HE1 TRP 18 -1.791 -11.917 -10.303
179 HE3 TRP 18 HE3 TRP 18 -2.352 -8.533 -6.203
180 HZ2 TRP 18 HZ2 TRP 18 -3.893 -10.073 -10.687
181 HZ3 TRP 18 HZ3 TRP 18 -4.232 -7.436 -7.350
182 HH2 TRP 18 HH2 TRP 18 -4.985 -8.192 -9.547
183 H LYS 19 HN LYS 19 1.277 -11.649 -3.394
184 HA LYS 19 HA LYS 19 3.106 -13.534 -4.485
185 1HB LYS 19 HB2 LYS 19 3.644 -11.563 -2.963
186 2HB LYS 19 HB1 LYS 19 3.065 -12.556 -1.633
187 1HG LYS 19 HG2 LYS 19 5.307 -12.975 -1.533
188 2HG LYS 19 HG1 LYS 19 4.781 -14.290 -2.585
189 1HD LYS 19 HD2 LYS 19 5.475 -11.770 -3.945
190 2HD LYS 19 HD1 LYS 19 6.817 -12.610 -3.165
191 1HE LYS 19 HE2 LYS 19 6.790 -14.291 -4.657
192 2HE LYS 19 HE1 LYS 19 5.029 -14.344 -4.713
193 1HZ LYS 19 HZ1 LYS 19 6.894 -12.882 -6.393
194 2HZ LYS 19 HZ2 LYS 19 5.484 -12.050 -5.968
195 3HZ LYS 19 HZ3 LYS 19 5.379 -13.536 -6.769
196 1HN NH2 20 NH1 NH2 20 3.659 -15.578 -3.740
197 2HN NH2 20 NH2 NH2 20 2.587 -16.545 -2.791
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 -2.745 16.821 4.952
2 2H ALA 1 HT2 ALA 1 -2.814 15.108 4.880
3 3H ALA 1 HT3 ALA 1 -4.050 16.051 4.153
4 HA ALA 1 HA ALA 1 -2.822 15.453 2.380
5 1HB ALA 1 HB1 ALA 1 -1.588 18.036 3.330
6 2HB ALA 1 HB2 ALA 1 -3.119 17.875 2.468
7 3HB ALA 1 HB3 ALA 1 -1.607 17.445 1.668
8 H LYS 2 HN LYS 2 -0.836 15.989 5.204
9 HA LYS 2 HA LYS 2 1.513 14.878 3.876
10 1HB LYS 2 HB2 LYS 2 1.048 16.643 6.113
11 2HB LYS 2 HB1 LYS 2 2.082 15.307 6.598
12 1HG LYS 2 HG2 LYS 2 2.982 16.265 4.076
13 2HG LYS 2 HG1 LYS 2 2.771 17.641 5.160
14 1HD LYS 2 HD2 LYS 2 4.821 17.110 5.903
15 2HD LYS 2 HD1 LYS 2 3.995 15.830 6.793
16 1HE LYS 2 HE2 LYS 2 4.496 14.225 5.116
17 2HE LYS 2 HE1 LYS 2 5.047 15.471 3.997
18 1HZ LYS 2 HZ1 LYS 2 6.447 14.213 6.202
19 2HZ LYS 2 HZ2 LYS 2 6.680 15.883 6.063
20 3HZ LYS 2 HZ3 LYS 2 7.054 14.866 4.764
21 H LYS 3 HN LYS 3 -0.466 13.034 3.986
22 HA LYS 3 HA LYS 3 0.723 11.003 5.691
23 1HB LYS 3 HB2 LYS 3 -1.333 12.296 6.821
24 2HB LYS 3 HB1 LYS 3 -2.250 11.149 5.854
25 1HG LYS 3 HG2 LYS 3 -2.034 9.822 7.641
26 2HG LYS 3 HG1 LYS 3 -0.422 9.509 6.995
27 1HD LYS 3 HD2 LYS 3 -0.782 11.877 8.754
28 2HD LYS 3 HD1 LYS 3 -0.807 10.280 9.505
29 1HE LYS 3 HE2 LYS 3 1.366 9.776 8.496
30 2HE LYS 3 HE1 LYS 3 1.389 11.372 7.749
31 1HZ LYS 3 HZ1 LYS 3 1.595 10.687 10.617
32 2HZ LYS 3 HZ2 LYS 3 1.175 12.245 10.109
33 3HZ LYS 3 HZ3 LYS 3 2.669 11.588 9.668
34 H VAL 4 HN VAL 4 0.748 11.362 2.934
35 HA VAL 4 HA VAL 4 -1.175 9.735 1.609
36 HB VAL 4 HB VAL 4 1.711 10.176 0.799
37 1HG1 VAL 4 HG11 VAL 4 0.339 9.984 -1.504
38 2HG1 VAL 4 HG12 VAL 4 -0.638 8.931 -0.480
39 3HG1 VAL 4 HG13 VAL 4 1.081 8.603 -0.695
40 1HG2 VAL 4 HG21 VAL 4 -0.732 11.873 0.400
41 2HG2 VAL 4 HG22 VAL 4 0.641 11.955 -0.704
42 3HG2 VAL 4 HG23 VAL 4 0.856 12.345 1.003
43 H PHE 5 HN PHE 5 1.319 9.191 3.773
44 HA PHE 5 HA PHE 5 2.476 6.813 3.275
45 1HB PHE 5 HB2 PHE 5 2.806 8.347 5.241
46 2HB PHE 5 HB1 PHE 5 1.347 7.663 5.940
47 HD1 PHE 5 HD1 PHE 5 1.439 5.706 7.209
48 HD2 PHE 5 HD2 PHE 5 4.746 6.766 4.750
49 HE1 PHE 5 HE1 PHE 5 2.768 3.902 8.225
50 HE2 PHE 5 HE2 PHE 5 6.081 4.964 5.760
51 HZ PHE 5 HZ PHE 5 5.092 3.528 7.500
52 H LYS 6 HN LYS 6 -0.789 7.390 4.098
53 HA LYS 6 HA LYS 6 -1.516 4.779 4.904
54 1HB LYS 6 HB2 LYS 6 -2.792 7.221 4.805
55 2HB LYS 6 HB1 LYS 6 -3.622 6.309 3.552
56 1HG LYS 6 HG2 LYS 6 -4.910 5.601 5.236
57 2HG LYS 6 HG1 LYS 6 -3.575 4.495 5.566
58 1HD LYS 6 HD2 LYS 6 -3.876 7.230 6.802
59 2HD LYS 6 HD1 LYS 6 -4.375 5.724 7.574
60 1HE LYS 6 HE2 LYS 6 -2.203 5.002 7.873
61 2HE LYS 6 HE1 LYS 6 -1.581 6.004 6.562
62 1HZ LYS 6 HZ1 LYS 6 -0.873 7.260 8.271
63 2HZ LYS 6 HZ2 LYS 6 -2.035 6.674 9.351
64 3HZ LYS 6 HZ3 LYS 6 -2.449 7.875 8.235
65 H ARG 7 HN ARG 7 -1.473 6.434 1.786
66 HA ARG 7 HA ARG 7 -2.733 4.420 0.280
67 1HB ARG 7 HB2 ARG 7 -0.746 6.565 -0.457
68 2HB ARG 7 HB1 ARG 7 -1.409 5.454 -1.648
69 1HG ARG 7 HG2 ARG 7 -3.502 6.647 -0.059
70 2HG ARG 7 HG1 ARG 7 -2.491 7.876 -0.822
71 1HD ARG 7 HD2 ARG 7 -3.481 5.546 -2.413
72 2HD ARG 7 HD1 ARG 7 -4.546 6.915 -2.096
73 HE ARG 7 HE ARG 7 -1.976 7.658 -3.153
74 1HH1 ARG 7 HH11 ARG 7 -5.228 6.673 -3.952
75 2HH1 ARG 7 HH12 ARG 7 -5.189 7.385 -5.530
76 1HH2 ARG 7 HH21 ARG 7 -1.924 8.594 -5.228
77 2HH2 ARG 7 HH22 ARG 7 -3.313 8.475 -6.255
78 H LEU 8 HN LEU 8 0.575 4.872 1.355
79 HA LEU 8 HA LEU 8 1.787 2.910 -0.265
80 1HB LEU 8 HB2 LEU 8 2.488 4.261 2.303
81 2HB LEU 8 HB1 LEU 8 3.408 2.848 1.821
82 HG LEU 8 HG LEU 8 3.372 4.435 -0.464
83 1HD1 LEU 8 HD11 LEU 8 4.269 6.259 1.707
84 2HD1 LEU 8 HD12 LEU 8 2.551 6.194 1.312
85 3HD1 LEU 8 HD13 LEU 8 3.726 6.628 0.070
86 1HD2 LEU 8 HD21 LEU 8 5.193 3.065 0.920
87 2HD2 LEU 8 HD22 LEU 8 5.652 4.697 1.406
88 3HD2 LEU 8 HD23 LEU 8 5.628 4.260 -0.302
89 H GLU 9 HN GLU 9 0.100 2.758 2.816
90 HA GLU 9 HA GLU 9 0.791 0.078 3.433
91 1HB GLU 9 HB2 GLU 9 -1.499 1.841 4.309
92 2HB GLU 9 HB1 GLU 9 -1.271 0.206 4.916
93 1HG GLU 9 HG2 GLU 9 1.108 1.041 5.525
94 2HG GLU 9 HG1 GLU 9 0.387 2.643 5.378
95 H LYS 10 HN LYS 10 -1.711 1.564 1.492
96 HA LYS 10 HA LYS 10 -3.316 -0.756 1.172
97 1HB LYS 10 HB2 LYS 10 -3.613 1.877 0.517
98 2HB LYS 10 HB1 LYS 10 -3.272 1.175 -1.058
99 1HG LYS 10 HG2 LYS 10 -5.460 0.773 -1.152
100 2HG LYS 10 HG1 LYS 10 -5.124 -0.561 -0.047
101 1HD LYS 10 HD2 LYS 10 -5.453 2.038 1.267
102 2HD LYS 10 HD1 LYS 10 -6.894 1.463 0.427
103 1HE LYS 10 HE2 LYS 10 -7.287 0.327 2.320
104 2HE LYS 10 HE1 LYS 10 -6.075 -0.795 1.703
105 1HZ LYS 10 HZ1 LYS 10 -5.466 1.502 3.482
106 2HZ LYS 10 HZ2 LYS 10 -4.398 0.284 2.995
107 3HZ LYS 10 HZ3 LYS 10 -5.689 -0.086 4.023
108 H LEU 11 HN LEU 11 -0.593 0.622 -0.592
109 HA LEU 11 HA LEU 11 -0.647 -1.141 -2.789
110 1HB LEU 11 HB2 LEU 11 0.813 1.034 -2.180
111 2HB LEU 11 HB1 LEU 11 1.982 -0.209 -1.778
112 HG LEU 11 HG LEU 11 1.272 -1.092 -4.204
113 1HD1 LEU 11 HD11 LEU 11 1.310 1.213 -5.530
114 2HD1 LEU 11 HD12 LEU 11 0.453 1.751 -4.086
115 3HD1 LEU 11 HD13 LEU 11 -0.191 0.422 -5.049
116 1HD2 LEU 11 HD21 LEU 11 3.206 1.189 -4.001
117 2HD2 LEU 11 HD22 LEU 11 3.317 -0.280 -4.970
118 3HD2 LEU 11 HD23 LEU 11 3.531 -0.359 -3.222
119 H PHE 12 HN PHE 12 0.560 -1.436 0.474
120 HA PHE 12 HA PHE 12 2.206 -3.696 0.101
121 1HB PHE 12 HB2 PHE 12 1.418 -2.077 2.260
122 2HB PHE 12 HB1 PHE 12 0.900 -3.705 2.685
123 HD1 PHE 12 HD1 PHE 12 2.414 -5.191 3.604
124 HD2 PHE 12 HD2 PHE 12 3.856 -1.814 1.453
125 HE1 PHE 12 HE1 PHE 12 4.713 -5.745 4.283
126 HE2 PHE 12 HE2 PHE 12 6.158 -2.362 2.127
127 HZ PHE 12 HZ PHE 12 6.589 -4.331 3.543
128 H SER 13 HN SER 13 -1.243 -3.284 0.545
129 HA SER 13 HA SER 13 -1.913 -5.951 1.138
130 1HB SER 13 HB2 SER 13 -3.310 -3.571 0.814
131 2HB SER 13 HB1 SER 13 -3.903 -4.581 -0.504
132 HG SER 13 HG SER 13 -4.174 -6.237 1.201
133 H LYS 14 HN LYS 14 -1.361 -4.263 -1.902
134 HA LYS 14 HA LYS 14 -2.305 -6.267 -3.636
135 1HB LYS 14 HB2 LYS 14 -1.797 -3.967 -4.368
136 2HB LYS 14 HB1 LYS 14 -0.086 -4.262 -4.095
137 1HG LYS 14 HG2 LYS 14 -0.171 -6.053 -5.805
138 2HG LYS 14 HG1 LYS 14 -1.847 -5.607 -6.131
139 1HD LYS 14 HD2 LYS 14 -0.694 -3.195 -6.354
140 2HD LYS 14 HD1 LYS 14 0.666 -4.213 -6.833
141 1HE LYS 14 HE2 LYS 14 -0.291 -4.777 -8.784
142 2HE LYS 14 HE1 LYS 14 -1.885 -4.966 -8.057
143 1HZ LYS 14 HZ1 LYS 14 -0.633 -2.559 -9.183
144 2HZ LYS 14 HZ2 LYS 14 -1.790 -2.387 -7.962
145 3HZ LYS 14 HZ3 LYS 14 -2.198 -3.160 -9.409
146 H ILE 15 HN ILE 15 0.699 -5.861 -1.902
147 HA ILE 15 HA ILE 15 2.245 -7.759 -3.304
148 HB ILE 15 HB ILE 15 2.473 -7.073 -0.370
149 1HG1 ILE 15 HG12 ILE 15 3.713 -5.706 -2.770
150 2HG1 ILE 15 HG11 ILE 15 2.468 -5.028 -1.726
151 1HG2 ILE 15 HG21 ILE 15 3.741 -9.055 -1.516
152 2HG2 ILE 15 HG22 ILE 15 4.584 -7.978 -0.403
153 3HG2 ILE 15 HG23 ILE 15 4.766 -7.765 -2.144
154 1HD1 ILE 15 HD11 ILE 15 3.992 -4.963 0.128
155 2HD1 ILE 15 HD12 ILE 15 4.724 -4.159 -1.260
156 3HD1 ILE 15 HD13 ILE 15 5.231 -5.789 -0.817
157 H TRP 16 HN TRP 16 -0.166 -8.020 -0.789
158 HA TRP 16 HA TRP 16 0.381 -10.660 0.038
159 1HB TRP 16 HB2 TRP 16 -1.625 -8.665 0.531
160 2HB TRP 16 HB1 TRP 16 -2.412 -10.211 0.234
161 HD1 TRP 16 HD1 TRP 16 -2.050 -12.142 2.029
162 HE1 TRP 16 HE1 TRP 16 -1.169 -12.118 4.447
163 HE3 TRP 16 HE3 TRP 16 0.088 -7.498 2.068
164 HZ2 TRP 16 HZ2 TRP 16 0.244 -10.362 6.147
165 HZ3 TRP 16 HZ3 TRP 16 1.183 -6.721 4.130
166 HH2 TRP 16 HH2 TRP 16 1.258 -8.125 6.127
167 H ASN 17 HN ASN 17 -1.421 -9.319 -2.650
168 HA ASN 17 HA ASN 17 -2.769 -11.691 -3.409
169 1HB ASN 17 HB2 ASN 17 -2.235 -9.042 -4.620
170 2HB ASN 17 HB1 ASN 17 -2.564 -10.351 -5.752
171 1HD2 ASN 17 HD21 ASN 17 -4.598 -10.440 -6.325
172 2HD2 ASN 17 HD22 ASN 17 -5.962 -10.072 -5.331
173 H TRP 18 HN TRP 18 0.398 -10.367 -4.148
174 HA TRP 18 HA TRP 18 0.972 -12.425 -6.104
175 1HB TRP 18 HB2 TRP 18 1.854 -9.915 -5.931
176 2HB TRP 18 HB1 TRP 18 3.123 -10.690 -4.988
177 HD1 TRP 18 HD1 TRP 18 1.416 -11.716 -8.333
178 HE1 TRP 18 HE1 TRP 18 3.276 -12.227 -10.036
179 HE3 TRP 18 HE3 TRP 18 5.489 -10.661 -5.429
180 HZ2 TRP 18 HZ2 TRP 18 6.097 -12.188 -10.136
181 HZ3 TRP 18 HZ3 TRP 18 7.733 -10.923 -6.404
182 HH2 TRP 18 HH2 TRP 18 8.029 -11.671 -8.709
183 H LYS 19 HN LYS 19 1.765 -11.669 -2.763
184 HA LYS 19 HA LYS 19 3.686 -13.782 -2.495
185 1HB LYS 19 HB2 LYS 19 3.804 -11.765 -1.102
186 2HB LYS 19 HB1 LYS 19 2.248 -12.162 -0.386
187 1HG LYS 19 HG2 LYS 19 3.477 -14.403 0.234
188 2HG LYS 19 HG1 LYS 19 4.914 -13.393 0.061
189 1HD LYS 19 HD2 LYS 19 4.322 -12.021 1.825
190 2HD LYS 19 HD1 LYS 19 2.608 -12.418 1.691
191 1HE LYS 19 HE2 LYS 19 4.261 -14.735 2.301
192 2HE LYS 19 HE1 LYS 19 4.388 -13.467 3.519
193 1HZ LYS 19 HZ1 LYS 19 1.768 -13.521 3.195
194 2HZ LYS 19 HZ2 LYS 19 2.567 -14.511 4.309
195 3HZ LYS 19 HZ3 LYS 19 2.109 -15.131 2.803
196 1HN NH2 20 NH1 NH2 20 3.127 -15.837 -2.514
197 2HN NH2 20 NH2 NH2 20 1.712 -16.523 -1.797
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 -4.673 15.482 5.593
2 2H ALA 1 HT2 ALA 1 -4.192 16.880 4.722
3 3H ALA 1 HT3 ALA 1 -4.617 17.004 6.380
4 HA ALA 1 HA ALA 1 -2.300 17.108 6.199
5 1HB ALA 1 HB1 ALA 1 -3.425 15.753 8.026
6 2HB ALA 1 HB2 ALA 1 -1.718 15.422 7.735
7 3HB ALA 1 HB3 ALA 1 -2.948 14.320 7.116
8 H LYS 2 HN LYS 2 -0.282 15.774 5.819
9 HA LYS 2 HA LYS 2 -0.413 14.709 3.106
10 1HB LYS 2 HB2 LYS 2 1.413 16.345 4.462
11 2HB LYS 2 HB1 LYS 2 2.251 14.816 4.237
12 1HG LYS 2 HG2 LYS 2 1.728 14.927 1.825
13 2HG LYS 2 HG1 LYS 2 0.998 16.512 2.089
14 1HD LYS 2 HD2 LYS 2 3.401 16.882 3.262
15 2HD LYS 2 HD1 LYS 2 3.836 15.717 2.010
16 1HE LYS 2 HE2 LYS 2 2.144 18.062 1.284
17 2HE LYS 2 HE1 LYS 2 3.874 18.301 1.529
18 1HZ LYS 2 HZ1 LYS 2 4.105 16.325 -0.070
19 2HZ LYS 2 HZ2 LYS 2 3.706 17.836 -0.716
20 3HZ LYS 2 HZ3 LYS 2 2.505 16.664 -0.506
21 H LYS 3 HN LYS 3 -1.566 12.974 4.828
22 HA LYS 3 HA LYS 3 0.456 10.939 5.473
23 1HB LYS 3 HB2 LYS 3 -1.426 9.800 6.650
24 2HB LYS 3 HB1 LYS 3 -1.069 11.402 7.280
25 1HG LYS 3 HG2 LYS 3 -2.972 12.329 6.129
26 2HG LYS 3 HG1 LYS 3 -3.295 10.778 5.351
27 1HD LYS 3 HD2 LYS 3 -4.022 9.796 7.329
28 2HD LYS 3 HD1 LYS 3 -3.199 10.988 8.337
29 1HE LYS 3 HE2 LYS 3 -5.258 12.070 6.536
30 2HE LYS 3 HE1 LYS 3 -5.857 11.001 7.803
31 1HZ LYS 3 HZ1 LYS 3 -3.958 12.866 8.821
32 2HZ LYS 3 HZ2 LYS 3 -5.547 12.573 9.320
33 3HZ LYS 3 HZ3 LYS 3 -5.244 13.661 8.061
34 H VAL 4 HN VAL 4 0.001 11.403 2.779
35 HA VAL 4 HA VAL 4 -1.807 9.545 1.616
36 HB VAL 4 HB VAL 4 0.851 10.442 0.471
37 1HG1 VAL 4 HG11 VAL 4 -0.776 10.165 -1.644
38 2HG1 VAL 4 HG12 VAL 4 -1.471 8.947 -0.574
39 3HG1 VAL 4 HG13 VAL 4 0.233 8.860 -1.021
40 1HG2 VAL 4 HG21 VAL 4 -1.632 11.773 -0.400
41 2HG2 VAL 4 HG22 VAL 4 -0.014 12.431 -0.154
42 3HG2 VAL 4 HG23 VAL 4 -1.077 12.164 1.228
43 H PHE 5 HN PHE 5 1.028 9.309 3.391
44 HA PHE 5 HA PHE 5 2.414 7.134 2.605
45 1HB PHE 5 HB2 PHE 5 2.819 8.651 4.579
46 2HB PHE 5 HB1 PHE 5 1.601 7.731 5.448
47 HD1 PHE 5 HD1 PHE 5 2.466 6.254 6.967
48 HD2 PHE 5 HD2 PHE 5 4.576 6.916 3.331
49 HE1 PHE 5 HE1 PHE 5 4.185 4.641 7.675
50 HE2 PHE 5 HE2 PHE 5 6.298 5.305 4.032
51 HZ PHE 5 HZ PHE 5 6.103 4.165 6.206
52 H LYS 6 HN LYS 6 -0.737 7.232 3.917
53 HA LYS 6 HA LYS 6 -0.993 4.535 4.713
54 1HB LYS 6 HB2 LYS 6 -2.542 6.623 5.141
55 2HB LYS 6 HB1 LYS 6 -3.337 6.078 3.670
56 1HG LYS 6 HG2 LYS 6 -4.584 4.933 5.165
57 2HG LYS 6 HG1 LYS 6 -3.280 3.759 4.973
58 1HD LYS 6 HD2 LYS 6 -2.822 5.835 7.010
59 2HD LYS 6 HD1 LYS 6 -4.135 4.709 7.360
60 1HE LYS 6 HE2 LYS 6 -1.554 3.594 6.400
61 2HE LYS 6 HE1 LYS 6 -1.626 4.205 8.053
62 1HZ LYS 6 HZ1 LYS 6 -2.195 1.751 7.596
63 2HZ LYS 6 HZ2 LYS 6 -3.689 2.345 7.072
64 3HZ LYS 6 HZ3 LYS 6 -3.177 2.629 8.659
65 H ARG 7 HN ARG 7 -1.555 6.221 1.665
66 HA ARG 7 HA ARG 7 -2.757 4.098 0.269
67 1HB ARG 7 HB2 ARG 7 -1.300 6.581 -0.505
68 2HB ARG 7 HB1 ARG 7 -1.529 5.346 -1.737
69 1HG ARG 7 HG2 ARG 7 -3.974 5.410 -1.234
70 2HG ARG 7 HG1 ARG 7 -3.661 6.793 -0.183
71 1HD ARG 7 HD2 ARG 7 -3.857 8.104 -1.966
72 2HD ARG 7 HD1 ARG 7 -2.374 7.385 -2.592
73 HE ARG 7 HE ARG 7 -3.637 6.354 -4.177
74 1HH1 ARG 7 HH11 ARG 7 -5.702 7.087 -1.461
75 2HH1 ARG 7 HH12 ARG 7 -7.138 6.511 -2.237
76 1HH2 ARG 7 HH21 ARG 7 -5.526 5.595 -5.200
77 2HH2 ARG 7 HH22 ARG 7 -7.039 5.663 -4.359
78 H LEU 8 HN LEU 8 0.597 4.894 0.939
79 HA LEU 8 HA LEU 8 1.801 3.091 -0.856
80 1HB LEU 8 HB2 LEU 8 2.796 4.994 0.676
81 2HB LEU 8 HB1 LEU 8 3.032 3.671 1.804
82 HG LEU 8 HG LEU 8 4.429 2.500 0.186
83 1HD1 LEU 8 HD11 LEU 8 3.564 3.059 -1.910
84 2HD1 LEU 8 HD12 LEU 8 5.136 3.856 -1.864
85 3HD1 LEU 8 HD13 LEU 8 3.665 4.790 -1.592
86 1HD2 LEU 8 HD21 LEU 8 5.600 5.210 0.087
87 2HD2 LEU 8 HD22 LEU 8 6.290 3.693 0.666
88 3HD2 LEU 8 HD23 LEU 8 5.166 4.596 1.683
89 H GLU 9 HN GLU 9 0.666 2.731 2.472
90 HA GLU 9 HA GLU 9 1.635 0.108 2.870
91 1HB GLU 9 HB2 GLU 9 -0.380 1.861 4.182
92 2HB GLU 9 HB1 GLU 9 -0.486 0.136 4.505
93 1HG GLU 9 HG2 GLU 9 1.491 0.083 5.644
94 2HG GLU 9 HG1 GLU 9 2.158 1.463 4.772
95 H LYS 10 HN LYS 10 -1.214 1.407 1.332
96 HA LYS 10 HA LYS 10 -2.697 -1.003 1.195
97 1HB LYS 10 HB2 LYS 10 -2.778 1.480 -0.530
98 2HB LYS 10 HB1 LYS 10 -3.940 0.165 -0.640
99 1HG LYS 10 HG2 LYS 10 -3.742 1.010 2.080
100 2HG LYS 10 HG1 LYS 10 -4.007 2.416 1.049
101 1HD LYS 10 HD2 LYS 10 -5.659 0.016 0.508
102 2HD LYS 10 HD1 LYS 10 -6.006 0.911 1.989
103 1HE LYS 10 HE2 LYS 10 -7.182 2.359 0.783
104 2HE LYS 10 HE1 LYS 10 -5.693 2.835 -0.033
105 1HZ LYS 10 HZ1 LYS 10 -6.824 2.156 -1.837
106 2HZ LYS 10 HZ2 LYS 10 -7.856 1.138 -0.966
107 3HZ LYS 10 HZ3 LYS 10 -6.298 0.618 -1.368
108 H LEU 11 HN LEU 11 -0.333 0.543 -0.927
109 HA LEU 11 HA LEU 11 -0.588 -1.273 -3.079
110 1HB LEU 11 HB2 LEU 11 1.682 0.506 -2.198
111 2HB LEU 11 HB1 LEU 11 1.746 -0.464 -3.657
112 HG LEU 11 HG LEU 11 -0.368 1.626 -3.146
113 1HD1 LEU 11 HD11 LEU 11 1.821 2.687 -3.211
114 2HD1 LEU 11 HD12 LEU 11 0.902 3.055 -4.671
115 3HD1 LEU 11 HD13 LEU 11 2.193 1.854 -4.721
116 1HD2 LEU 11 HD21 LEU 11 -1.184 1.159 -5.198
117 2HD2 LEU 11 HD22 LEU 11 -0.460 -0.418 -4.887
118 3HD2 LEU 11 HD23 LEU 11 0.403 0.772 -5.862
119 H PHE 12 HN PHE 12 1.341 -1.275 -0.136
120 HA PHE 12 HA PHE 12 2.952 -3.510 -0.824
121 1HB PHE 12 HB2 PHE 12 2.758 -1.709 1.343
122 2HB PHE 12 HB1 PHE 12 2.529 -3.317 2.023
123 HD1 PHE 12 HD1 PHE 12 4.342 -4.770 2.321
124 HD2 PHE 12 HD2 PHE 12 4.817 -1.253 -0.026
125 HE1 PHE 12 HE1 PHE 12 6.774 -5.139 2.268
126 HE2 PHE 12 HE2 PHE 12 7.249 -1.616 -0.085
127 HZ PHE 12 HZ PHE 12 8.231 -3.561 1.063
128 H SER 13 HN SER 13 -0.213 -3.114 0.601
129 HA SER 13 HA SER 13 -0.522 -5.769 1.544
130 1HB SER 13 HB2 SER 13 -1.950 -3.575 1.970
131 2HB SER 13 HB1 SER 13 -2.884 -4.190 0.607
132 HG SER 13 HG SER 13 -3.193 -6.118 1.769
133 H LYS 14 HN LYS 14 -0.944 -4.218 -1.557
134 HA LYS 14 HA LYS 14 -2.454 -6.266 -2.800
135 1HB LYS 14 HB2 LYS 14 -1.493 -3.749 -3.523
136 2HB LYS 14 HB1 LYS 14 -0.673 -4.855 -4.617
137 1HG LYS 14 HG2 LYS 14 -2.696 -4.091 -5.645
138 2HG LYS 14 HG1 LYS 14 -2.872 -5.800 -5.241
139 1HD LYS 14 HD2 LYS 14 -4.844 -5.104 -4.382
140 2HD LYS 14 HD1 LYS 14 -3.841 -4.689 -2.990
141 1HE LYS 14 HE2 LYS 14 -3.578 -2.461 -4.526
142 2HE LYS 14 HE1 LYS 14 -5.227 -2.953 -4.912
143 1HZ LYS 14 HZ1 LYS 14 -5.608 -3.072 -2.455
144 2HZ LYS 14 HZ2 LYS 14 -5.347 -1.515 -3.061
145 3HZ LYS 14 HZ3 LYS 14 -4.107 -2.322 -2.241
146 H ILE 15 HN ILE 15 0.978 -5.753 -2.285
147 HA ILE 15 HA ILE 15 1.896 -7.765 -4.063
148 HB ILE 15 HB ILE 15 3.288 -6.796 -1.564
149 1HG1 ILE 15 HG12 ILE 15 3.361 -5.653 -4.367
150 2HG1 ILE 15 HG11 ILE 15 2.628 -4.889 -2.960
151 1HG2 ILE 15 HG21 ILE 15 5.188 -7.772 -2.333
152 2HG2 ILE 15 HG22 ILE 15 4.741 -7.567 -4.027
153 3HG2 ILE 15 HG23 ILE 15 4.017 -8.862 -3.074
154 1HD1 ILE 15 HD11 ILE 15 5.319 -4.763 -3.877
155 2HD1 ILE 15 HD12 ILE 15 5.287 -5.481 -2.266
156 3HD1 ILE 15 HD13 ILE 15 4.555 -3.900 -2.542
157 H TRP 16 HN TRP 16 0.851 -7.764 -0.714
158 HA TRP 16 HA TRP 16 1.738 -10.394 -0.101
159 1HB TRP 16 HB2 TRP 16 1.131 -8.594 1.574
160 2HB TRP 16 HB1 TRP 16 -0.558 -8.917 1.197
161 HD1 TRP 16 HD1 TRP 16 2.505 -11.032 2.335
162 HE1 TRP 16 HE1 TRP 16 1.674 -12.744 4.068
163 HE3 TRP 16 HE3 TRP 16 -2.471 -9.860 2.313
164 HZ2 TRP 16 HZ2 TRP 16 -0.767 -13.498 5.267
165 HZ3 TRP 16 HZ3 TRP 16 -3.987 -11.124 3.782
166 HH2 TRP 16 HH2 TRP 16 -3.151 -12.905 5.228
167 H ASN 17 HN ASN 17 -1.125 -9.048 -1.577
168 HA ASN 17 HA ASN 17 -2.716 -11.409 -1.394
169 1HB ASN 17 HB2 ASN 17 -3.650 -9.116 -1.717
170 2HB ASN 17 HB1 ASN 17 -2.983 -9.113 -3.346
171 1HD2 ASN 17 HD21 ASN 17 -5.404 -8.684 -3.606
172 2HD2 ASN 17 HD22 ASN 17 -6.382 -10.073 -3.922
173 H TRP 18 HN TRP 18 -0.329 -10.194 -3.626
174 HA TRP 18 HA TRP 18 -0.970 -12.057 -5.720
175 1HB TRP 18 HB2 TRP 18 0.744 -9.771 -5.392
176 2HB TRP 18 HB1 TRP 18 1.673 -11.109 -6.061
177 HD1 TRP 18 HD1 TRP 18 -0.988 -8.584 -6.956
178 HE1 TRP 18 HE1 TRP 18 -1.568 -8.805 -9.454
179 HE3 TRP 18 HE3 TRP 18 1.511 -12.923 -7.989
180 HZ2 TRP 18 HZ2 TRP 18 -1.037 -10.584 -11.581
181 HZ3 TRP 18 HZ3 TRP 18 1.424 -13.817 -10.279
182 HH2 TRP 18 HH2 TRP 18 0.176 -12.671 -12.037
183 H LYS 19 HN LYS 19 1.159 -11.968 -2.957
184 HA LYS 19 HA LYS 19 2.793 -14.170 -3.765
185 1HB LYS 19 HB2 LYS 19 3.384 -12.350 -2.074
186 2HB LYS 19 HB1 LYS 19 2.370 -13.225 -0.934
187 1HG LYS 19 HG2 LYS 19 3.840 -14.961 -0.742
188 2HG LYS 19 HG1 LYS 19 4.501 -14.725 -2.361
189 1HD LYS 19 HD2 LYS 19 6.251 -13.849 -1.241
190 2HD LYS 19 HD1 LYS 19 5.237 -12.406 -1.184
191 1HE LYS 19 HE2 LYS 19 5.493 -14.521 0.951
192 2HE LYS 19 HE1 LYS 19 6.123 -12.875 1.018
193 1HZ LYS 19 HZ1 LYS 19 3.736 -12.146 0.758
194 2HZ LYS 19 HZ2 LYS 19 4.138 -12.855 2.240
195 3HZ LYS 19 HZ3 LYS 19 3.295 -13.749 1.078
196 1HN NH2 20 NH1 NH2 20 -0.036 -13.791 -1.705
197 2HN NH2 20 NH2 NH2 20 -0.379 -15.476 -1.538
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 -1.536 17.787 2.192
2 2H ALA 1 HT2 ALA 1 -1.081 17.744 3.846
3 3H ALA 1 HT3 ALA 1 -2.717 18.027 3.411
4 HA ALA 1 HA ALA 1 -2.760 15.871 4.017
5 1HB ALA 1 HB1 ALA 1 -3.296 16.479 1.466
6 2HB ALA 1 HB2 ALA 1 -3.500 14.860 2.134
7 3HB ALA 1 HB3 ALA 1 -2.048 15.258 1.216
8 H LYS 2 HN LYS 2 -0.843 15.675 5.355
9 HA LYS 2 HA LYS 2 1.448 14.393 4.051
10 1HB LYS 2 HB2 LYS 2 2.566 14.722 6.267
11 2HB LYS 2 HB1 LYS 2 2.074 16.214 5.478
12 1HG LYS 2 HG2 LYS 2 0.665 16.763 7.123
13 2HG LYS 2 HG1 LYS 2 0.060 15.114 7.287
14 1HD LYS 2 HD2 LYS 2 2.137 14.525 8.510
15 2HD LYS 2 HD1 LYS 2 2.626 16.219 8.427
16 1HE LYS 2 HE2 LYS 2 1.653 15.982 10.547
17 2HE LYS 2 HE1 LYS 2 0.402 16.739 9.562
18 1HZ LYS 2 HZ1 LYS 2 0.469 14.098 10.763
19 2HZ LYS 2 HZ2 LYS 2 -0.170 14.168 9.199
20 3HZ LYS 2 HZ3 LYS 2 -0.850 15.106 10.432
21 H LYS 3 HN LYS 3 -0.720 12.777 4.052
22 HA LYS 3 HA LYS 3 0.133 10.652 5.868
23 1HB LYS 3 HB2 LYS 3 -2.128 10.141 6.592
24 2HB LYS 3 HB1 LYS 3 -1.736 11.800 7.024
25 1HG LYS 3 HG2 LYS 3 -3.132 11.310 4.448
26 2HG LYS 3 HG1 LYS 3 -4.049 11.163 5.948
27 1HD LYS 3 HD2 LYS 3 -2.356 13.570 5.327
28 2HD LYS 3 HD1 LYS 3 -4.041 13.445 4.817
29 1HE LYS 3 HE2 LYS 3 -4.573 14.292 6.809
30 2HE LYS 3 HE1 LYS 3 -4.112 12.731 7.486
31 1HZ LYS 3 HZ1 LYS 3 -2.783 14.087 8.702
32 2HZ LYS 3 HZ2 LYS 3 -2.656 15.265 7.494
33 3HZ LYS 3 HZ3 LYS 3 -1.743 13.845 7.389
34 H VAL 4 HN VAL 4 0.565 11.005 3.135
35 HA VAL 4 HA VAL 4 -1.242 9.460 1.564
36 HB VAL 4 HB VAL 4 0.432 10.913 0.496
37 1HG1 VAL 4 HG11 VAL 4 2.675 9.065 0.958
38 2HG1 VAL 4 HG12 VAL 4 2.175 10.019 2.354
39 3HG1 VAL 4 HG13 VAL 4 2.653 10.825 0.860
40 1HG2 VAL 4 HG21 VAL 4 0.607 9.597 -1.322
41 2HG2 VAL 4 HG22 VAL 4 -0.352 8.467 -0.366
42 3HG2 VAL 4 HG23 VAL 4 1.403 8.298 -0.434
43 H PHE 5 HN PHE 5 0.930 8.826 4.028
44 HA PHE 5 HA PHE 5 2.078 6.426 3.693
45 1HB PHE 5 HB2 PHE 5 2.155 7.920 5.704
46 2HB PHE 5 HB1 PHE 5 0.579 7.295 6.162
47 HD1 PHE 5 HD1 PHE 5 4.146 6.532 5.870
48 HD2 PHE 5 HD2 PHE 5 0.330 5.065 7.051
49 HE1 PHE 5 HE1 PHE 5 5.234 4.675 7.063
50 HE2 PHE 5 HE2 PHE 5 1.410 3.206 8.246
51 HZ PHE 5 HZ PHE 5 3.865 3.009 8.253
52 H LYS 6 HN LYS 6 -1.264 7.057 4.046
53 HA LYS 6 HA LYS 6 -2.135 4.441 4.682
54 1HB LYS 6 HB2 LYS 6 -3.356 6.877 4.545
55 2HB LYS 6 HB1 LYS 6 -3.975 6.110 3.088
56 1HG LYS 6 HG2 LYS 6 -5.285 4.701 4.234
57 2HG LYS 6 HG1 LYS 6 -4.069 4.423 5.482
58 1HD LYS 6 HD2 LYS 6 -4.871 6.064 6.812
59 2HD LYS 6 HD1 LYS 6 -5.266 7.115 5.450
60 1HE LYS 6 HE2 LYS 6 -7.341 6.549 6.367
61 2HE LYS 6 HE1 LYS 6 -7.172 5.482 4.974
62 1HZ LYS 6 HZ1 LYS 6 -7.048 4.835 7.834
63 2HZ LYS 6 HZ2 LYS 6 -6.168 3.885 6.747
64 3HZ LYS 6 HZ3 LYS 6 -7.845 4.023 6.581
65 H ARG 7 HN ARG 7 -1.776 6.192 1.623
66 HA ARG 7 HA ARG 7 -2.776 4.149 -0.041
67 1HB ARG 7 HB2 ARG 7 -1.057 6.557 -0.445
68 2HB ARG 7 HB1 ARG 7 -1.121 5.353 -1.725
69 1HG ARG 7 HG2 ARG 7 -2.879 6.523 -2.450
70 2HG ARG 7 HG1 ARG 7 -3.761 5.685 -1.172
71 1HD ARG 7 HD2 ARG 7 -3.890 7.531 0.135
72 2HD ARG 7 HD1 ARG 7 -2.315 8.135 -0.378
73 HE ARG 7 HE ARG 7 -3.947 8.394 -2.571
74 1HH1 ARG 7 HH11 ARG 7 -3.958 9.571 0.714
75 2HH1 ARG 7 HH12 ARG 7 -4.796 11.034 0.319
76 1HH2 ARG 7 HH21 ARG 7 -5.049 10.318 -3.092
77 2HH2 ARG 7 HH22 ARG 7 -5.416 11.458 -1.841
78 H LEU 8 HN LEU 8 0.372 4.776 1.365
79 HA LEU 8 HA LEU 8 1.847 2.918 -0.169
80 1HB LEU 8 HB2 LEU 8 2.252 4.256 2.478
81 2HB LEU 8 HB1 LEU 8 3.324 2.954 1.996
82 HG LEU 8 HG LEU 8 2.884 5.261 0.142
83 1HD1 LEU 8 HD11 LEU 8 5.137 6.023 1.365
84 2HD1 LEU 8 HD12 LEU 8 4.290 5.313 2.739
85 3HD1 LEU 8 HD13 LEU 8 3.542 6.621 1.823
86 1HD2 LEU 8 HD21 LEU 8 4.170 3.713 -0.938
87 2HD2 LEU 8 HD22 LEU 8 4.886 3.102 0.554
88 3HD2 LEU 8 HD23 LEU 8 5.434 4.635 -0.124
89 H GLU 9 HN GLU 9 -0.076 2.649 2.762
90 HA GLU 9 HA GLU 9 0.727 -0.005 3.401
91 1HB GLU 9 HB2 GLU 9 -1.357 1.891 4.310
92 2HB GLU 9 HB1 GLU 9 -1.727 0.187 4.536
93 1HG GLU 9 HG2 GLU 9 0.820 0.315 5.473
94 2HG GLU 9 HG1 GLU 9 0.196 1.901 5.922
95 H LYS 10 HN LYS 10 -1.696 1.402 1.317
96 HA LYS 10 HA LYS 10 -3.182 -0.989 0.886
97 1HB LYS 10 HB2 LYS 10 -2.975 1.627 -0.591
98 2HB LYS 10 HB1 LYS 10 -3.940 0.297 -1.214
99 1HG LYS 10 HG2 LYS 10 -4.746 0.528 1.424
100 2HG LYS 10 HG1 LYS 10 -4.532 2.195 0.889
101 1HD LYS 10 HD2 LYS 10 -6.452 2.102 -0.229
102 2HD LYS 10 HD1 LYS 10 -5.854 0.741 -1.179
103 1HE LYS 10 HE2 LYS 10 -7.203 -0.666 -0.111
104 2HE LYS 10 HE1 LYS 10 -6.589 -0.140 1.455
105 1HZ LYS 10 HZ1 LYS 10 -8.227 1.470 1.645
106 2HZ LYS 10 HZ2 LYS 10 -9.062 0.171 0.956
107 3HZ LYS 10 HZ3 LYS 10 -8.580 1.473 -0.010
108 H LEU 11 HN LEU 11 -0.398 0.519 -0.634
109 HA LEU 11 HA LEU 11 -0.300 -1.203 -2.891
110 1HB LEU 11 HB2 LEU 11 1.230 0.978 -1.827
111 2HB LEU 11 HB1 LEU 11 2.320 -0.327 -2.254
112 HG LEU 11 HG LEU 11 0.269 0.770 -4.169
113 1HD1 LEU 11 HD11 LEU 11 3.110 1.477 -4.507
114 2HD1 LEU 11 HD12 LEU 11 2.254 2.300 -3.203
115 3HD1 LEU 11 HD13 LEU 11 1.654 2.410 -4.857
116 1HD2 LEU 11 HD21 LEU 11 1.628 -1.549 -4.301
117 2HD2 LEU 11 HD22 LEU 11 2.790 -0.466 -5.068
118 3HD2 LEU 11 HD23 LEU 11 1.156 -0.610 -5.717
119 H PHE 12 HN PHE 12 1.000 -1.344 0.369
120 HA PHE 12 HA PHE 12 2.692 -3.587 -0.078
121 1HB PHE 12 HB2 PHE 12 2.135 -1.839 2.064
122 2HB PHE 12 HB1 PHE 12 1.738 -3.452 2.644
123 HD1 PHE 12 HD1 PHE 12 4.244 -1.123 2.559
124 HD2 PHE 12 HD2 PHE 12 3.605 -5.263 1.809
125 HE1 PHE 12 HE1 PHE 12 6.633 -1.560 2.957
126 HE2 PHE 12 HE2 PHE 12 5.992 -5.708 2.206
127 HZ PHE 12 HZ PHE 12 7.509 -3.855 2.781
128 H SER 13 HN SER 13 -0.681 -3.163 0.723
129 HA SER 13 HA SER 13 -1.188 -5.850 1.498
130 1HB SER 13 HB2 SER 13 -2.633 -3.555 1.639
131 2HB SER 13 HB1 SER 13 -3.399 -4.325 0.250
132 HG SER 13 HG SER 13 -3.000 -5.550 2.780
133 H LYS 14 HN LYS 14 -1.041 -4.157 -1.553
134 HA LYS 14 HA LYS 14 -2.336 -6.135 -3.123
135 1HB LYS 14 HB2 LYS 14 -1.350 -3.591 -3.573
136 2HB LYS 14 HB1 LYS 14 -0.255 -4.605 -4.502
137 1HG LYS 14 HG2 LYS 14 -3.160 -5.111 -4.790
138 2HG LYS 14 HG1 LYS 14 -2.505 -3.641 -5.514
139 1HD LYS 14 HD2 LYS 14 -0.743 -5.131 -6.579
140 2HD LYS 14 HD1 LYS 14 -1.742 -6.497 -6.077
141 1HE LYS 14 HE2 LYS 14 -3.381 -6.029 -7.587
142 2HE LYS 14 HE1 LYS 14 -3.084 -4.292 -7.535
143 1HZ LYS 14 HZ1 LYS 14 -0.831 -5.128 -8.656
144 2HZ LYS 14 HZ2 LYS 14 -2.202 -4.705 -9.551
145 3HZ LYS 14 HZ3 LYS 14 -1.879 -6.332 -9.220
146 H ILE 15 HN ILE 15 0.941 -5.678 -1.981
147 HA ILE 15 HA ILE 15 2.179 -7.587 -3.675
148 HB ILE 15 HB ILE 15 3.074 -6.770 -0.908
149 1HG1 ILE 15 HG12 ILE 15 3.683 -5.490 -3.582
150 2HG1 ILE 15 HG11 ILE 15 2.691 -4.790 -2.307
151 1HG2 ILE 15 HG21 ILE 15 4.124 -8.780 -2.055
152 2HG2 ILE 15 HG22 ILE 15 5.222 -7.508 -1.521
153 3HG2 ILE 15 HG23 ILE 15 4.782 -7.634 -3.224
154 1HD1 ILE 15 HD11 ILE 15 5.089 -3.973 -2.532
155 2HD1 ILE 15 HD12 ILE 15 5.555 -5.527 -1.842
156 3HD1 ILE 15 HD13 ILE 15 4.532 -4.425 -0.922
157 H TRP 16 HN TRP 16 0.431 -7.786 -0.656
158 HA TRP 16 HA TRP 16 1.235 -10.425 0.030
159 1HB TRP 16 HB2 TRP 16 -0.271 -8.403 1.234
160 2HB TRP 16 HB1 TRP 16 -1.416 -9.718 0.989
161 HD1 TRP 16 HD1 TRP 16 -0.815 -12.088 2.209
162 HE1 TRP 16 HE1 TRP 16 0.514 -12.556 4.363
163 HE3 TRP 16 HE3 TRP 16 1.641 -7.624 2.635
164 HZ2 TRP 16 HZ2 TRP 16 2.359 -11.211 6.023
165 HZ3 TRP 16 HZ3 TRP 16 3.170 -7.296 4.535
166 HH2 TRP 16 HH2 TRP 16 3.520 -9.053 6.193
167 H ASN 17 HN ASN 17 -1.296 -9.064 -1.967
168 HA ASN 17 HA ASN 17 -2.770 -11.493 -2.265
169 1HB ASN 17 HB2 ASN 17 -3.279 -8.860 -2.825
170 2HB ASN 17 HB1 ASN 17 -2.995 -9.517 -4.434
171 1HD2 ASN 17 HD21 ASN 17 -5.270 -8.976 -2.105
172 2HD2 ASN 17 HD22 ASN 17 -6.482 -10.089 -2.631
173 H TRP 18 HN TRP 18 -0.061 -10.013 -3.884
174 HA TRP 18 HA TRP 18 -0.165 -11.836 -6.132
175 1HB TRP 18 HB2 TRP 18 1.445 -9.469 -5.363
176 2HB TRP 18 HB1 TRP 18 2.255 -10.664 -6.372
177 HD1 TRP 18 HD1 TRP 18 -1.433 -10.315 -7.029
178 HE1 TRP 18 HE1 TRP 18 -1.798 -9.070 -9.252
179 HE3 TRP 18 HE3 TRP 18 3.356 -8.733 -7.867
180 HZ2 TRP 18 HZ2 TRP 18 -0.258 -7.610 -11.114
181 HZ3 TRP 18 HZ3 TRP 18 3.826 -7.417 -9.893
182 HH2 TRP 18 HH2 TRP 18 2.055 -6.869 -11.482
183 H LYS 19 HN LYS 19 1.491 -11.536 -3.076
184 HA LYS 19 HA LYS 19 3.445 -13.569 -3.681
185 1HB LYS 19 HB2 LYS 19 3.931 -11.703 -2.126
186 2HB LYS 19 HB1 LYS 19 2.711 -12.326 -1.024
187 1HG LYS 19 HG2 LYS 19 3.986 -14.315 -0.637
188 2HG LYS 19 HG1 LYS 19 5.147 -13.867 -1.888
189 1HD LYS 19 HD2 LYS 19 5.625 -11.794 -0.520
190 2HD LYS 19 HD1 LYS 19 4.680 -12.536 0.773
191 1HE LYS 19 HE2 LYS 19 6.207 -14.302 1.021
192 2HE LYS 19 HE1 LYS 19 6.979 -13.964 -0.527
193 1HZ LYS 19 HZ1 LYS 19 7.982 -13.192 1.804
194 2HZ LYS 19 HZ2 LYS 19 7.061 -11.822 1.435
195 3HZ LYS 19 HZ3 LYS 19 8.254 -12.352 0.360
196 1HN NH2 20 NH1 NH2 20 3.279 -15.682 -3.335
197 2HN NH2 20 NH2 NH2 20 1.985 -16.473 -2.506
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 -4.258 16.177 3.211
2 2H ALA 1 HT2 ALA 1 -3.051 17.144 2.466
3 3H ALA 1 HT3 ALA 1 -3.993 17.782 3.752
4 HA ALA 1 HA ALA 1 -2.074 17.288 4.789
5 1HB ALA 1 HB1 ALA 1 -4.021 15.029 4.995
6 2HB ALA 1 HB2 ALA 1 -3.662 16.308 6.155
7 3HB ALA 1 HB3 ALA 1 -2.514 14.992 5.911
8 H LYS 2 HN LYS 2 -0.193 15.955 5.122
9 HA LYS 2 HA LYS 2 0.589 14.569 2.662
10 1HB LYS 2 HB2 LYS 2 1.945 16.502 3.648
11 2HB LYS 2 HB1 LYS 2 2.422 15.377 4.913
12 1HG LYS 2 HG2 LYS 2 3.752 14.158 3.526
13 2HG LYS 2 HG1 LYS 2 2.786 14.525 2.095
14 1HD LYS 2 HD2 LYS 2 3.642 16.900 2.291
15 2HD LYS 2 HD1 LYS 2 4.787 16.291 3.488
16 1HE LYS 2 HE2 LYS 2 4.604 14.891 0.870
17 2HE LYS 2 HE1 LYS 2 5.409 16.459 0.922
18 1HZ LYS 2 HZ1 LYS 2 7.178 15.197 1.440
19 2HZ LYS 2 HZ2 LYS 2 6.249 13.909 2.022
20 3HZ LYS 2 HZ3 LYS 2 6.538 15.254 3.006
21 H LYS 3 HN LYS 3 -1.100 13.072 4.157
22 HA LYS 3 HA LYS 3 0.688 11.061 5.378
23 1HB LYS 3 HB2 LYS 3 -1.238 12.392 6.744
24 2HB LYS 3 HB1 LYS 3 -2.180 11.038 6.134
25 1HG LYS 3 HG2 LYS 3 -0.246 9.591 7.070
26 2HG LYS 3 HG1 LYS 3 0.139 11.031 8.015
27 1HD LYS 3 HD2 LYS 3 -2.696 10.221 8.011
28 2HD LYS 3 HD1 LYS 3 -1.584 9.114 8.820
29 1HE LYS 3 HE2 LYS 3 -1.318 12.011 9.409
30 2HE LYS 3 HE1 LYS 3 -2.718 11.169 10.074
31 1HZ LYS 3 HZ1 LYS 3 -0.746 9.473 10.686
32 2HZ LYS 3 HZ2 LYS 3 -1.299 10.689 11.724
33 3HZ LYS 3 HZ3 LYS 3 0.081 10.947 10.781
34 H VAL 4 HN VAL 4 0.121 11.212 2.653
35 HA VAL 4 HA VAL 4 -1.913 9.354 1.902
36 HB VAL 4 HB VAL 4 0.639 10.004 0.404
37 1HG1 VAL 4 HG11 VAL 4 -0.133 8.274 -0.824
38 2HG1 VAL 4 HG12 VAL 4 -1.206 9.505 -1.490
39 3HG1 VAL 4 HG13 VAL 4 -1.779 8.433 -0.212
40 1HG2 VAL 4 HG21 VAL 4 -2.063 11.332 0.201
41 2HG2 VAL 4 HG22 VAL 4 -0.655 11.681 -0.801
42 3HG2 VAL 4 HG23 VAL 4 -0.620 12.041 0.925
43 H PHE 5 HN PHE 5 1.001 9.169 3.495
44 HA PHE 5 HA PHE 5 2.320 6.926 2.846
45 1HB PHE 5 HB2 PHE 5 2.858 8.539 4.669
46 2HB PHE 5 HB1 PHE 5 1.599 7.798 5.643
47 HD1 PHE 5 HD1 PHE 5 4.936 7.339 4.192
48 HD2 PHE 5 HD2 PHE 5 1.929 5.666 6.697
49 HE1 PHE 5 HE1 PHE 5 6.562 5.700 5.043
50 HE2 PHE 5 HE2 PHE 5 3.550 4.024 7.553
51 HZ PHE 5 HZ PHE 5 5.870 4.040 6.726
52 H LYS 6 HN LYS 6 -0.788 7.123 4.258
53 HA LYS 6 HA LYS 6 -0.979 4.450 5.195
54 1HB LYS 6 HB2 LYS 6 -2.545 6.700 5.422
55 2HB LYS 6 HB1 LYS 6 -3.500 5.693 4.344
56 1HG LYS 6 HG2 LYS 6 -3.088 3.838 6.098
57 2HG LYS 6 HG1 LYS 6 -2.674 5.179 7.168
58 1HD LYS 6 HD2 LYS 6 -4.903 6.204 6.470
59 2HD LYS 6 HD1 LYS 6 -5.290 4.619 5.797
60 1HE LYS 6 HE2 LYS 6 -4.258 4.616 8.556
61 2HE LYS 6 HE1 LYS 6 -5.838 5.367 8.337
62 1HZ LYS 6 HZ1 LYS 6 -6.514 3.245 8.589
63 2HZ LYS 6 HZ2 LYS 6 -5.053 2.579 8.060
64 3HZ LYS 6 HZ3 LYS 6 -6.178 3.149 6.934
65 H ARG 7 HN ARG 7 -1.847 6.059 2.175
66 HA ARG 7 HA ARG 7 -3.097 3.858 0.943
67 1HB ARG 7 HB2 ARG 7 -1.608 6.196 -0.266
68 2HB ARG 7 HB1 ARG 7 -2.563 5.045 -1.192
69 1HG ARG 7 HG2 ARG 7 -4.320 5.863 0.751
70 2HG ARG 7 HG1 ARG 7 -3.409 7.332 0.397
71 1HD ARG 7 HD2 ARG 7 -3.868 6.403 -2.104
72 2HD ARG 7 HD1 ARG 7 -5.313 5.830 -1.271
73 HE ARG 7 HE ARG 7 -4.944 8.503 -0.580
74 1HH1 ARG 7 HH11 ARG 7 -5.660 6.613 -3.425
75 2HH1 ARG 7 HH12 ARG 7 -6.562 7.877 -4.191
76 1HH2 ARG 7 HH21 ARG 7 -6.130 10.167 -1.586
77 2HH2 ARG 7 HH22 ARG 7 -6.828 9.895 -3.147
78 H LEU 8 HN LEU 8 0.247 4.775 1.364
79 HA LEU 8 HA LEU 8 1.385 3.055 -0.562
80 1HB LEU 8 HB2 LEU 8 2.299 4.799 1.532
81 2HB LEU 8 HB1 LEU 8 3.176 3.283 1.613
82 HG LEU 8 HG LEU 8 2.934 4.584 -1.050
83 1HD1 LEU 8 HD11 LEU 8 5.200 5.484 0.609
84 2HD1 LEU 8 HD12 LEU 8 3.635 6.215 0.962
85 3HD1 LEU 8 HD13 LEU 8 4.314 6.326 -0.662
86 1HD2 LEU 8 HD21 LEU 8 4.718 2.708 0.373
87 2HD2 LEU 8 HD22 LEU 8 5.479 3.792 -0.792
88 3HD2 LEU 8 HD23 LEU 8 4.181 2.714 -1.307
89 H GLU 9 HN GLU 9 0.455 2.609 2.812
90 HA GLU 9 HA GLU 9 1.596 0.030 3.107
91 1HB GLU 9 HB2 GLU 9 -0.476 1.605 4.591
92 2HB GLU 9 HB1 GLU 9 -0.263 -0.101 4.958
93 1HG GLU 9 HG2 GLU 9 1.828 0.206 5.844
94 2HG GLU 9 HG1 GLU 9 2.125 1.675 4.915
95 H LYS 10 HN LYS 10 -1.426 1.220 1.830
96 HA LYS 10 HA LYS 10 -2.776 -1.284 1.773
97 1HB LYS 10 HB2 LYS 10 -3.229 1.433 0.706
98 2HB LYS 10 HB1 LYS 10 -3.960 0.134 -0.226
99 1HG LYS 10 HG2 LYS 10 -4.925 -0.674 1.999
100 2HG LYS 10 HG1 LYS 10 -4.475 0.916 2.619
101 1HD LYS 10 HD2 LYS 10 -6.247 0.423 0.227
102 2HD LYS 10 HD1 LYS 10 -6.819 0.822 1.848
103 1HE LYS 10 HE2 LYS 10 -6.352 2.998 1.598
104 2HE LYS 10 HE1 LYS 10 -4.795 2.669 0.839
105 1HZ LYS 10 HZ1 LYS 10 -5.866 2.338 -1.254
106 2HZ LYS 10 HZ2 LYS 10 -6.400 3.815 -0.626
107 3HZ LYS 10 HZ3 LYS 10 -7.405 2.456 -0.559
108 H LEU 11 HN LEU 11 -0.682 0.461 -0.450
109 HA LEU 11 HA LEU 11 -1.067 -1.255 -2.674
110 1HB LEU 11 HB2 LEU 11 1.164 0.628 -1.921
111 2HB LEU 11 HB1 LEU 11 1.159 -0.282 -3.420
112 HG LEU 11 HG LEU 11 -1.071 1.596 -2.664
113 1HD1 LEU 11 HD11 LEU 11 1.530 2.147 -4.049
114 2HD1 LEU 11 HD12 LEU 11 0.759 3.042 -2.740
115 3HD1 LEU 11 HD13 LEU 11 0.090 3.112 -4.370
116 1HD2 LEU 11 HD21 LEU 11 -1.668 1.477 -4.963
117 2HD2 LEU 11 HD22 LEU 11 -1.447 -0.179 -4.397
118 3HD2 LEU 11 HD23 LEU 11 -0.194 0.597 -5.365
119 H PHE 12 HN PHE 12 1.105 -1.290 0.089
120 HA PHE 12 HA PHE 12 2.770 -3.389 -0.871
121 1HB PHE 12 HB2 PHE 12 2.699 -1.695 1.392
122 2HB PHE 12 HB1 PHE 12 2.640 -3.344 2.007
123 HD1 PHE 12 HD1 PHE 12 4.384 -1.955 -0.971
124 HD2 PHE 12 HD2 PHE 12 4.745 -3.777 2.857
125 HE1 PHE 12 HE1 PHE 12 6.814 -2.158 -1.301
126 HE2 PHE 12 HE2 PHE 12 7.175 -3.983 2.535
127 HZ PHE 12 HZ PHE 12 8.213 -3.173 0.453
128 H SER 13 HN SER 13 -0.261 -3.234 0.849
129 HA SER 13 HA SER 13 -0.323 -5.947 1.691
130 1HB SER 13 HB2 SER 13 -1.774 -4.374 2.793
131 2HB SER 13 HB1 SER 13 -2.521 -3.911 1.264
132 HG SER 13 HG SER 13 -2.639 -6.523 2.364
133 H LYS 14 HN LYS 14 -1.164 -4.263 -1.250
134 HA LYS 14 HA LYS 14 -2.693 -6.336 -2.435
135 1HB LYS 14 HB2 LYS 14 -1.544 -3.771 -3.258
136 2HB LYS 14 HB1 LYS 14 -1.556 -4.966 -4.548
137 1HG LYS 14 HG2 LYS 14 -4.078 -4.975 -3.181
138 2HG LYS 14 HG1 LYS 14 -3.666 -3.337 -3.693
139 1HD LYS 14 HD2 LYS 14 -4.923 -4.473 -5.434
140 2HD LYS 14 HD1 LYS 14 -3.271 -4.166 -5.974
141 1HE LYS 14 HE2 LYS 14 -3.299 -6.696 -4.700
142 2HE LYS 14 HE1 LYS 14 -4.670 -6.645 -5.807
143 1HZ LYS 14 HZ1 LYS 14 -1.799 -6.316 -6.427
144 2HZ LYS 14 HZ2 LYS 14 -2.998 -5.786 -7.495
145 3HZ LYS 14 HZ3 LYS 14 -2.900 -7.422 -7.081
146 H ILE 15 HN ILE 15 0.734 -5.631 -2.254
147 HA ILE 15 HA ILE 15 1.575 -7.463 -4.250
148 HB ILE 15 HB ILE 15 3.160 -6.563 -1.842
149 1HG1 ILE 15 HG12 ILE 15 2.881 -5.254 -4.557
150 2HG1 ILE 15 HG11 ILE 15 2.252 -4.622 -3.039
151 1HG2 ILE 15 HG21 ILE 15 4.052 -7.496 -4.567
152 2HG2 ILE 15 HG22 ILE 15 4.109 -8.451 -3.086
153 3HG2 ILE 15 HG23 ILE 15 5.100 -7.001 -3.238
154 1HD1 ILE 15 HD11 ILE 15 4.344 -3.542 -3.803
155 2HD1 ILE 15 HD12 ILE 15 5.170 -5.087 -3.595
156 3HD1 ILE 15 HD13 ILE 15 4.462 -4.270 -2.201
157 H TRP 16 HN TRP 16 0.824 -7.748 -0.844
158 HA TRP 16 HA TRP 16 1.953 -10.325 -0.458
159 1HB TRP 16 HB2 TRP 16 0.401 -8.424 1.084
160 2HB TRP 16 HB1 TRP 16 -0.188 -10.063 1.337
161 HD1 TRP 16 HD1 TRP 16 3.341 -8.416 1.229
162 HE1 TRP 16 HE1 TRP 16 4.709 -9.375 3.187
163 HE3 TRP 16 HE3 TRP 16 -0.156 -11.593 3.186
164 HZ2 TRP 16 HZ2 TRP 16 4.353 -11.232 5.284
165 HZ3 TRP 16 HZ3 TRP 16 0.438 -12.924 5.168
166 HH2 TRP 16 HH2 TRP 16 2.647 -12.747 6.193
167 H ASN 17 HN ASN 17 -1.105 -9.147 -1.669
168 HA ASN 17 HA ASN 17 -2.498 -11.625 -1.529
169 1HB ASN 17 HB2 ASN 17 -2.945 -9.021 -2.948
170 2HB ASN 17 HB1 ASN 17 -3.925 -10.422 -3.369
171 1HD2 ASN 17 HD21 ASN 17 -2.725 -8.830 -0.429
172 2HD2 ASN 17 HD22 ASN 17 -4.230 -8.885 0.417
173 H TRP 18 HN TRP 18 -0.330 -10.150 -3.830
174 HA TRP 18 HA TRP 18 -0.935 -11.998 -5.952
175 1HB TRP 18 HB2 TRP 18 0.038 -9.571 -6.098
176 2HB TRP 18 HB1 TRP 18 1.584 -10.374 -5.842
177 HD1 TRP 18 HD1 TRP 18 2.651 -11.618 -7.876
178 HE1 TRP 18 HE1 TRP 18 1.996 -11.885 -10.351
179 HE3 TRP 18 HE3 TRP 18 -2.121 -9.796 -7.653
180 HZ2 TRP 18 HZ2 TRP 18 -0.247 -11.388 -11.991
181 HZ3 TRP 18 HZ3 TRP 18 -3.454 -9.726 -9.720
182 HH2 TRP 18 HH2 TRP 18 -2.535 -10.505 -11.844
183 H LYS 19 HN LYS 19 1.525 -11.671 -3.452
184 HA LYS 19 HA LYS 19 3.004 -13.966 -4.420
185 1HB LYS 19 HB2 LYS 19 3.867 -11.806 -3.154
186 2HB LYS 19 HB1 LYS 19 3.497 -12.769 -1.731
187 1HG LYS 19 HG2 LYS 19 4.896 -14.577 -3.112
188 2HG LYS 19 HG1 LYS 19 5.626 -13.101 -3.749
189 1HD LYS 19 HD2 LYS 19 5.270 -13.464 -0.798
190 2HD LYS 19 HD1 LYS 19 6.635 -14.212 -1.630
191 1HE LYS 19 HE2 LYS 19 7.704 -12.275 -1.376
192 2HE LYS 19 HE1 LYS 19 6.608 -11.614 -2.589
193 1HZ LYS 19 HZ1 LYS 19 6.813 -10.442 -0.328
194 2HZ LYS 19 HZ2 LYS 19 5.820 -11.684 0.251
195 3HZ LYS 19 HZ3 LYS 19 5.268 -10.666 -0.982
196 1HN NH2 20 NH1 NH2 20 1.110 -15.387 -4.251
197 2HN NH2 20 NH2 NH2 20 0.775 -16.150 -2.738
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 -3.015 14.585 5.444
2 2H ALA 1 HT2 ALA 1 -4.460 15.468 5.726
3 3H ALA 1 HT3 ALA 1 -2.949 16.282 5.682
4 HA ALA 1 HA ALA 1 -4.513 15.122 3.506
5 1HB ALA 1 HB1 ALA 1 -4.426 17.254 2.585
6 2HB ALA 1 HB2 ALA 1 -3.019 17.718 3.542
7 3HB ALA 1 HB3 ALA 1 -4.598 17.567 4.312
8 H LYS 2 HN LYS 2 -1.236 16.063 4.469
9 HA LYS 2 HA LYS 2 -0.196 14.942 1.969
10 1HB LYS 2 HB2 LYS 2 1.889 16.061 2.503
11 2HB LYS 2 HB1 LYS 2 0.559 17.204 2.611
12 1HG LYS 2 HG2 LYS 2 1.093 15.928 5.156
13 2HG LYS 2 HG1 LYS 2 2.515 16.750 4.512
14 1HD LYS 2 HD2 LYS 2 1.642 18.617 5.378
15 2HD LYS 2 HD1 LYS 2 0.486 18.556 4.047
16 1HE LYS 2 HE2 LYS 2 -1.214 17.947 5.388
17 2HE LYS 2 HE1 LYS 2 -0.201 16.870 6.349
18 1HZ LYS 2 HZ1 LYS 2 0.744 19.237 7.103
19 2HZ LYS 2 HZ2 LYS 2 -0.524 18.448 7.899
20 3HZ LYS 2 HZ3 LYS 2 -0.860 19.666 6.774
21 H LYS 3 HN LYS 3 -1.180 13.022 3.602
22 HA LYS 3 HA LYS 3 1.237 11.539 4.275
23 1HB LYS 3 HB2 LYS 3 -0.129 12.801 6.313
24 2HB LYS 3 HB1 LYS 3 -0.836 11.191 6.326
25 1HG LYS 3 HG2 LYS 3 2.084 11.217 6.138
26 2HG LYS 3 HG1 LYS 3 1.439 11.915 7.625
27 1HD LYS 3 HD2 LYS 3 -0.038 9.781 7.682
28 2HD LYS 3 HD1 LYS 3 1.158 9.131 6.559
29 1HE LYS 3 HE2 LYS 3 1.843 10.338 9.234
30 2HE LYS 3 HE1 LYS 3 1.585 8.613 8.973
31 1HZ LYS 3 HZ1 LYS 3 3.919 9.111 8.884
32 2HZ LYS 3 HZ2 LYS 3 3.676 10.293 7.699
33 3HZ LYS 3 HZ3 LYS 3 3.398 8.665 7.337
34 H VAL 4 HN VAL 4 -0.550 11.316 2.146
35 HA VAL 4 HA VAL 4 -2.399 9.177 2.563
36 HB VAL 4 HB VAL 4 -0.989 9.895 -0.020
37 1HG1 VAL 4 HG11 VAL 4 -2.075 7.765 -0.163
38 2HG1 VAL 4 HG12 VAL 4 -3.056 8.940 -1.038
39 3HG1 VAL 4 HG13 VAL 4 -3.543 8.408 0.571
40 1HG2 VAL 4 HG21 VAL 4 -3.717 10.885 0.700
41 2HG2 VAL 4 HG22 VAL 4 -2.567 11.522 -0.476
42 3HG2 VAL 4 HG23 VAL 4 -2.286 11.757 1.249
43 H PHE 5 HN PHE 5 0.909 9.490 2.569
44 HA PHE 5 HA PHE 5 2.098 7.359 1.469
45 1HB PHE 5 HB2 PHE 5 3.176 9.189 2.761
46 2HB PHE 5 HB1 PHE 5 2.613 8.430 4.242
47 HD1 PHE 5 HD1 PHE 5 4.300 7.170 1.153
48 HD2 PHE 5 HD2 PHE 5 4.337 7.461 5.398
49 HE1 PHE 5 HE1 PHE 5 6.344 5.803 1.225
50 HE2 PHE 5 HE2 PHE 5 6.382 6.094 5.478
51 HZ PHE 5 HZ PHE 5 7.388 5.264 3.389
52 H LYS 6 HN LYS 6 0.003 7.339 4.172
53 HA LYS 6 HA LYS 6 0.652 4.774 5.186
54 1HB LYS 6 HB2 LYS 6 -0.613 6.517 6.455
55 2HB LYS 6 HB1 LYS 6 -1.989 6.234 5.399
56 1HG LYS 6 HG2 LYS 6 -1.956 3.843 6.161
57 2HG LYS 6 HG1 LYS 6 -0.758 4.323 7.365
58 1HD LYS 6 HD2 LYS 6 -2.403 6.043 8.170
59 2HD LYS 6 HD1 LYS 6 -3.596 5.303 7.100
60 1HE LYS 6 HE2 LYS 6 -4.089 3.952 8.804
61 2HE LYS 6 HE1 LYS 6 -2.550 3.156 8.483
62 1HZ LYS 6 HZ1 LYS 6 -1.737 5.178 9.995
63 2HZ LYS 6 HZ2 LYS 6 -2.193 3.678 10.630
64 3HZ LYS 6 HZ3 LYS 6 -3.290 4.965 10.633
65 H ARG 7 HN ARG 7 -1.803 5.936 2.911
66 HA ARG 7 HA ARG 7 -3.059 3.463 2.460
67 1HB ARG 7 HB2 ARG 7 -2.969 6.091 1.128
68 2HB ARG 7 HB1 ARG 7 -3.323 4.739 0.061
69 1HG ARG 7 HG2 ARG 7 -5.048 4.122 1.941
70 2HG ARG 7 HG1 ARG 7 -4.909 5.840 2.321
71 1HD ARG 7 HD2 ARG 7 -6.363 6.262 0.698
72 2HD ARG 7 HD1 ARG 7 -5.170 5.692 -0.466
73 HE ARG 7 HE ARG 7 -7.463 4.219 0.560
74 1HH1 ARG 7 HH11 ARG 7 -4.537 4.170 -1.352
75 2HH1 ARG 7 HH12 ARG 7 -4.984 2.740 -2.218
76 1HH2 ARG 7 HH21 ARG 7 -8.043 2.340 -0.580
77 2HH2 ARG 7 HH22 ARG 7 -6.971 1.702 -1.782
78 H LEU 8 HN LEU 8 -0.120 4.886 1.227
79 HA LEU 8 HA LEU 8 0.280 3.176 -0.978
80 1HB LEU 8 HB2 LEU 8 1.823 5.138 0.524
81 2HB LEU 8 HB1 LEU 8 2.815 3.802 -0.028
82 HG LEU 8 HG LEU 8 1.558 4.320 -2.323
83 1HD1 LEU 8 HD11 LEU 8 0.467 6.290 -0.858
84 2HD1 LEU 8 HD12 LEU 8 0.741 6.403 -2.596
85 3HD1 LEU 8 HD13 LEU 8 1.896 7.121 -1.473
86 1HD2 LEU 8 HD21 LEU 8 4.081 4.548 -1.415
87 2HD2 LEU 8 HD22 LEU 8 3.722 6.240 -1.758
88 3HD2 LEU 8 HD23 LEU 8 3.577 5.032 -3.035
89 H GLU 9 HN GLU 9 1.055 2.898 2.449
90 HA GLU 9 HA GLU 9 2.639 0.554 2.222
91 1HB GLU 9 HB2 GLU 9 1.266 1.993 4.446
92 2HB GLU 9 HB1 GLU 9 1.774 0.333 4.728
93 1HG GLU 9 HG2 GLU 9 3.839 1.989 3.507
94 2HG GLU 9 HG1 GLU 9 3.313 2.562 5.089
95 H LYS 10 HN LYS 10 -0.795 1.154 2.480
96 HA LYS 10 HA LYS 10 -1.549 -1.530 3.051
97 1HB LYS 10 HB2 LYS 10 -3.006 0.900 2.052
98 2HB LYS 10 HB1 LYS 10 -3.802 -0.667 2.062
99 1HG LYS 10 HG2 LYS 10 -2.598 -0.298 4.599
100 2HG LYS 10 HG1 LYS 10 -3.476 1.178 4.193
101 1HD LYS 10 HD2 LYS 10 -5.258 0.075 5.008
102 2HD LYS 10 HD1 LYS 10 -5.261 -0.728 3.437
103 1HE LYS 10 HE2 LYS 10 -3.466 -2.244 4.787
104 2HE LYS 10 HE1 LYS 10 -4.545 -1.763 6.096
105 1HZ LYS 10 HZ1 LYS 10 -5.015 -3.875 4.630
106 2HZ LYS 10 HZ2 LYS 10 -5.754 -2.739 3.618
107 3HZ LYS 10 HZ3 LYS 10 -6.278 -2.914 5.217
108 H LEU 11 HN LEU 11 -0.963 0.319 0.136
109 HA LEU 11 HA LEU 11 -2.051 -1.542 -1.699
110 1HB LEU 11 HB2 LEU 11 -0.533 0.925 -1.798
111 2HB LEU 11 HB1 LEU 11 0.043 -0.215 -2.999
112 HG LEU 11 HG LEU 11 -2.471 -0.442 -3.634
113 1HD1 LEU 11 HD11 LEU 11 -3.378 2.047 -3.275
114 2HD1 LEU 11 HD12 LEU 11 -2.450 1.864 -1.787
115 3HD1 LEU 11 HD13 LEU 11 -3.739 0.722 -2.168
116 1HD2 LEU 11 HD21 LEU 11 -0.586 1.784 -4.279
117 2HD2 LEU 11 HD22 LEU 11 -2.203 1.768 -4.983
118 3HD2 LEU 11 HD23 LEU 11 -1.100 0.423 -5.276
119 H PHE 12 HN PHE 12 1.056 -1.232 -0.107
120 HA PHE 12 HA PHE 12 2.457 -3.097 -1.724
121 1HB PHE 12 HB2 PHE 12 3.055 -1.430 0.474
122 2HB PHE 12 HB1 PHE 12 3.434 -3.070 0.991
123 HD1 PHE 12 HD1 PHE 12 4.099 -0.555 -1.642
124 HD2 PHE 12 HD2 PHE 12 5.369 -4.154 0.241
125 HE1 PHE 12 HE1 PHE 12 6.225 -0.445 -2.875
126 HE2 PHE 12 HE2 PHE 12 7.499 -4.050 -0.988
127 HZ PHE 12 HZ PHE 12 7.929 -2.193 -2.548
128 H SER 13 HN SER 13 0.422 -3.372 1.119
129 HA SER 13 HA SER 13 1.022 -6.075 1.717
130 1HB SER 13 HB2 SER 13 -0.776 -5.989 3.239
131 2HB SER 13 HB1 SER 13 -0.195 -4.325 3.181
132 HG SER 13 HG SER 13 -2.626 -5.198 2.670
133 H LYS 14 HN LYS 14 -1.136 -4.509 -0.531
134 HA LYS 14 HA LYS 14 -2.749 -6.761 -1.130
135 1HB LYS 14 HB2 LYS 14 -2.092 -4.349 -2.835
136 2HB LYS 14 HB1 LYS 14 -3.385 -5.497 -3.152
137 1HG LYS 14 HG2 LYS 14 -3.171 -3.698 -0.748
138 2HG LYS 14 HG1 LYS 14 -4.239 -3.464 -2.133
139 1HD LYS 14 HD2 LYS 14 -5.777 -4.749 -1.173
140 2HD LYS 14 HD1 LYS 14 -4.641 -6.099 -1.142
141 1HE LYS 14 HE2 LYS 14 -3.883 -5.550 1.015
142 2HE LYS 14 HE1 LYS 14 -4.599 -3.940 0.946
143 1HZ LYS 14 HZ1 LYS 14 -6.807 -5.093 0.857
144 2HZ LYS 14 HZ2 LYS 14 -5.977 -5.244 2.323
145 3HZ LYS 14 HZ3 LYS 14 -6.002 -6.534 1.230
146 H ILE 15 HN ILE 15 0.363 -5.629 -2.251
147 HA ILE 15 HA ILE 15 0.543 -7.286 -4.547
148 HB ILE 15 HB ILE 15 2.840 -6.246 -2.883
149 1HG1 ILE 15 HG12 ILE 15 1.368 -4.919 -5.172
150 2HG1 ILE 15 HG11 ILE 15 1.325 -4.412 -3.487
151 1HG2 ILE 15 HG21 ILE 15 4.228 -6.785 -4.595
152 2HG2 ILE 15 HG22 ILE 15 2.989 -6.538 -5.825
153 3HG2 ILE 15 HG23 ILE 15 2.998 -8.019 -4.868
154 1HD1 ILE 15 HD11 ILE 15 4.033 -4.510 -4.203
155 2HD1 ILE 15 HD12 ILE 15 3.039 -3.084 -3.902
156 3HD1 ILE 15 HD13 ILE 15 3.188 -3.726 -5.538
157 H TRP 16 HN TRP 16 1.338 -7.724 -1.149
158 HA TRP 16 HA TRP 16 2.739 -10.174 -1.460
159 1HB TRP 16 HB2 TRP 16 2.914 -8.756 0.565
160 2HB TRP 16 HB1 TRP 16 1.240 -9.135 0.958
161 HD1 TRP 16 HD1 TRP 16 0.718 -11.646 1.803
162 HE1 TRP 16 HE1 TRP 16 2.237 -13.416 2.892
163 HE3 TRP 16 HE3 TRP 16 5.273 -9.668 0.587
164 HZ2 TRP 16 HZ2 TRP 16 4.999 -13.908 3.195
165 HZ3 TRP 16 HZ3 TRP 16 7.304 -10.850 1.315
166 HH2 TRP 16 HH2 TRP 16 7.169 -12.926 2.592
167 H ASN 17 HN ASN 17 -0.629 -9.305 -1.150
168 HA ASN 17 HA ASN 17 -1.603 -11.926 -0.613
169 1HB ASN 17 HB2 ASN 17 -2.859 -9.356 -1.532
170 2HB ASN 17 HB1 ASN 17 -3.792 -10.849 -1.533
171 1HD2 ASN 17 HD21 ASN 17 -2.539 -8.296 0.332
172 2HD2 ASN 17 HD22 ASN 17 -3.102 -8.834 1.874
173 H TRP 18 HN TRP 18 -0.793 -10.139 -3.497
174 HA TRP 18 HA TRP 18 -2.119 -11.910 -5.316
175 1HB TRP 18 HB2 TRP 18 -0.222 -9.614 -5.566
176 2HB TRP 18 HB1 TRP 18 -0.431 -10.690 -6.944
177 HD1 TRP 18 HD1 TRP 18 -1.588 -7.510 -6.067
178 HE1 TRP 18 HE1 TRP 18 -3.980 -7.018 -6.884
179 HE3 TRP 18 HE3 TRP 18 -3.128 -12.295 -7.000
180 HZ2 TRP 18 HZ2 TRP 18 -6.222 -8.468 -7.801
181 HZ3 TRP 18 HZ3 TRP 18 -5.411 -12.656 -7.845
182 HH2 TRP 18 HH2 TRP 18 -6.925 -10.781 -8.236
183 H LYS 19 HN LYS 19 1.045 -11.728 -3.848
184 HA LYS 19 HA LYS 19 2.204 -13.695 -5.616
185 1HB LYS 19 HB2 LYS 19 3.132 -12.005 -3.378
186 2HB LYS 19 HB1 LYS 19 3.941 -13.559 -3.536
187 1HG LYS 19 HG2 LYS 19 5.269 -12.162 -4.802
188 2HG LYS 19 HG1 LYS 19 4.221 -12.897 -6.017
189 1HD LYS 19 HD2 LYS 19 2.754 -10.915 -5.907
190 2HD LYS 19 HD1 LYS 19 3.871 -10.179 -4.755
191 1HE LYS 19 HE2 LYS 19 5.520 -9.875 -6.348
192 2HE LYS 19 HE1 LYS 19 4.879 -11.137 -7.399
193 1HZ LYS 19 HZ1 LYS 19 2.856 -9.415 -7.415
194 2HZ LYS 19 HZ2 LYS 19 4.118 -9.370 -8.541
195 3HZ LYS 19 HZ3 LYS 19 4.141 -8.335 -7.204
196 1HN NH2 20 NH1 NH2 20 0.949 -15.525 -5.397
197 2HN NH2 20 NH2 NH2 20 0.925 -16.486 -3.962
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 -1.700 17.931 3.721
2 2H ALA 1 HT2 ALA 1 -0.940 16.582 2.980
3 3H ALA 1 HT3 ALA 1 0.008 17.881 3.580
4 HA ALA 1 HA ALA 1 -0.369 17.348 5.745
5 1HB ALA 1 HB1 ALA 1 -2.887 16.929 5.133
6 2HB ALA 1 HB2 ALA 1 -2.177 16.215 6.581
7 3HB ALA 1 HB3 ALA 1 -2.380 15.240 5.126
8 H LYS 2 HN LYS 2 0.055 15.210 6.946
9 HA LYS 2 HA LYS 2 1.937 13.681 5.313
10 1HB LYS 2 HB2 LYS 2 2.183 14.773 7.813
11 2HB LYS 2 HB1 LYS 2 1.806 13.098 8.192
12 1HG LYS 2 HG2 LYS 2 3.745 12.304 7.249
13 2HG LYS 2 HG1 LYS 2 3.921 13.697 6.180
14 1HD LYS 2 HD2 LYS 2 4.180 13.900 9.171
15 2HD LYS 2 HD1 LYS 2 5.551 13.544 8.119
16 1HE LYS 2 HE2 LYS 2 5.198 15.633 6.923
17 2HE LYS 2 HE1 LYS 2 3.785 15.981 7.918
18 1HZ LYS 2 HZ1 LYS 2 5.256 16.008 9.868
19 2HZ LYS 2 HZ2 LYS 2 5.674 17.192 8.736
20 3HZ LYS 2 HZ3 LYS 2 6.595 15.779 8.858
21 H LYS 3 HN LYS 3 -0.605 13.031 4.671
22 HA LYS 3 HA LYS 3 -1.144 10.504 6.096
23 1HB LYS 3 HB2 LYS 3 -2.899 12.504 5.582
24 2HB LYS 3 HB1 LYS 3 -3.116 11.530 4.134
25 1HG LYS 3 HG2 LYS 3 -3.115 10.022 6.653
26 2HG LYS 3 HG1 LYS 3 -4.453 11.155 6.453
27 1HD LYS 3 HD2 LYS 3 -5.470 9.667 5.151
28 2HD LYS 3 HD1 LYS 3 -4.155 9.827 3.986
29 1HE LYS 3 HE2 LYS 3 -3.084 7.937 4.729
30 2HE LYS 3 HE1 LYS 3 -3.766 8.058 6.350
31 1HZ LYS 3 HZ1 LYS 3 -5.054 6.390 5.607
32 2HZ LYS 3 HZ2 LYS 3 -4.848 6.787 3.976
33 3HZ LYS 3 HZ3 LYS 3 -5.967 7.637 4.918
34 H VAL 4 HN VAL 4 0.974 10.651 4.295
35 HA VAL 4 HA VAL 4 0.282 9.621 1.731
36 HB VAL 4 HB VAL 4 2.833 9.013 3.239
37 1HG1 VAL 4 HG11 VAL 4 2.839 9.517 0.339
38 2HG1 VAL 4 HG12 VAL 4 1.997 8.057 0.858
39 3HG1 VAL 4 HG13 VAL 4 3.692 8.296 1.283
40 1HG2 VAL 4 HG21 VAL 4 3.529 11.095 1.684
41 2HG2 VAL 4 HG22 VAL 4 3.041 11.260 3.371
42 3HG2 VAL 4 HG23 VAL 4 1.873 11.552 2.082
43 H PHE 5 HN PHE 5 0.172 8.475 4.873
44 HA PHE 5 HA PHE 5 0.669 5.840 4.941
45 1HB PHE 5 HB2 PHE 5 -0.199 7.306 6.779
46 2HB PHE 5 HB1 PHE 5 -1.797 7.166 6.063
47 HD1 PHE 5 HD1 PHE 5 -3.159 5.817 7.321
48 HD2 PHE 5 HD2 PHE 5 0.924 4.721 6.830
49 HE1 PHE 5 HE1 PHE 5 -3.559 3.763 8.614
50 HE2 PHE 5 HE2 PHE 5 0.531 2.664 8.122
51 HZ PHE 5 HZ PHE 5 -1.713 2.182 9.015
52 H LYS 6 HN LYS 6 -1.861 7.401 3.252
53 HA LYS 6 HA LYS 6 -3.536 5.172 2.795
54 1HB LYS 6 HB2 LYS 6 -3.944 7.741 2.404
55 2HB LYS 6 HB1 LYS 6 -3.307 7.397 0.802
56 1HG LYS 6 HG2 LYS 6 -5.051 5.752 0.435
57 2HG LYS 6 HG1 LYS 6 -5.670 6.022 2.066
58 1HD LYS 6 HD2 LYS 6 -5.988 8.442 1.406
59 2HD LYS 6 HD1 LYS 6 -5.654 7.942 -0.253
60 1HE LYS 6 HE2 LYS 6 -8.005 7.946 -0.037
61 2HE LYS 6 HE1 LYS 6 -7.514 6.253 0.017
62 1HZ LYS 6 HZ1 LYS 6 -8.403 7.976 2.250
63 2HZ LYS 6 HZ2 LYS 6 -7.552 6.540 2.524
64 3HZ LYS 6 HZ3 LYS 6 -9.049 6.498 1.739
65 H ARG 7 HN ARG 7 -0.891 6.619 0.926
66 HA ARG 7 HA ARG 7 -1.046 4.889 -1.284
67 1HB ARG 7 HB2 ARG 7 0.852 6.839 -0.229
68 2HB ARG 7 HB1 ARG 7 1.651 5.486 -1.019
69 1HG ARG 7 HG2 ARG 7 0.920 6.072 -3.071
70 2HG ARG 7 HG1 ARG 7 -0.623 6.679 -2.469
71 1HD ARG 7 HD2 ARG 7 1.683 8.245 -1.590
72 2HD ARG 7 HD1 ARG 7 1.469 8.220 -3.340
73 HE ARG 7 HE ARG 7 -0.939 8.787 -1.868
74 1HH1 ARG 7 HH11 ARG 7 1.916 10.151 -3.341
75 2HH1 ARG 7 HH12 ARG 7 1.216 11.722 -3.537
76 1HH2 ARG 7 HH21 ARG 7 -1.860 10.853 -2.124
77 2HH2 ARG 7 HH22 ARG 7 -0.927 12.122 -2.844
78 H LEU 8 HN LEU 8 0.410 4.574 1.880
79 HA LEU 8 HA LEU 8 2.016 2.316 1.379
80 1HB LEU 8 HB2 LEU 8 2.256 3.678 3.392
81 2HB LEU 8 HB1 LEU 8 0.654 3.203 3.925
82 HG LEU 8 HG LEU 8 1.798 0.769 3.684
83 1HD1 LEU 8 HD11 LEU 8 3.957 2.118 3.110
84 2HD1 LEU 8 HD12 LEU 8 4.042 0.718 4.180
85 3HD1 LEU 8 HD13 LEU 8 4.040 2.347 4.857
86 1HD2 LEU 8 HD21 LEU 8 0.660 2.054 5.649
87 2HD2 LEU 8 HD22 LEU 8 2.321 2.321 6.179
88 3HD2 LEU 8 HD23 LEU 8 1.711 0.678 5.983
89 H GLU 9 HN GLU 9 -1.391 2.709 2.118
90 HA GLU 9 HA GLU 9 -1.954 0.000 2.696
91 1HB GLU 9 HB2 GLU 9 -3.736 2.190 1.613
92 2HB GLU 9 HB1 GLU 9 -4.315 0.625 2.166
93 1HG GLU 9 HG2 GLU 9 -2.798 1.541 4.281
94 2HG GLU 9 HG1 GLU 9 -3.604 2.990 3.681
95 H LYS 10 HN LYS 10 -1.688 1.820 -0.282
96 HA LYS 10 HA LYS 10 -2.851 -0.154 -1.969
97 1HB LYS 10 HB2 LYS 10 -2.109 2.437 -2.328
98 2HB LYS 10 HB1 LYS 10 -0.776 1.610 -3.122
99 1HG LYS 10 HG2 LYS 10 -2.197 0.594 -4.691
100 2HG LYS 10 HG1 LYS 10 -3.641 0.981 -3.753
101 1HD LYS 10 HD2 LYS 10 -3.723 2.583 -5.412
102 2HD LYS 10 HD1 LYS 10 -2.877 3.449 -4.127
103 1HE LYS 10 HE2 LYS 10 -1.690 3.872 -6.139
104 2HE LYS 10 HE1 LYS 10 -0.723 2.731 -5.205
105 1HZ LYS 10 HZ1 LYS 10 -2.091 2.363 -7.739
106 2HZ LYS 10 HZ2 LYS 10 -2.182 1.059 -6.667
107 3HZ LYS 10 HZ3 LYS 10 -0.674 1.644 -7.158
108 H LEU 11 HN LEU 11 0.460 0.620 -0.994
109 HA LEU 11 HA LEU 11 1.710 -1.356 -2.592
110 1HB LEU 11 HB2 LEU 11 2.564 0.693 -0.951
111 2HB LEU 11 HB1 LEU 11 3.057 -0.738 -0.067
112 HG LEU 11 HG LEU 11 3.733 -0.634 -2.958
113 1HD1 LEU 11 HD11 LEU 11 5.678 0.674 -1.173
114 2HD1 LEU 11 HD12 LEU 11 4.245 1.619 -1.581
115 3HD1 LEU 11 HD13 LEU 11 5.285 0.996 -2.862
116 1HD2 LEU 11 HD21 LEU 11 4.382 -2.590 -1.803
117 2HD2 LEU 11 HD22 LEU 11 5.019 -1.666 -0.443
118 3HD2 LEU 11 HD23 LEU 11 5.849 -1.631 -1.998
119 H PHE 12 HN PHE 12 0.172 -1.383 0.542
120 HA PHE 12 HA PHE 12 1.186 -3.897 1.402
121 1HB PHE 12 HB2 PHE 12 -0.167 -1.928 2.653
122 2HB PHE 12 HB1 PHE 12 -1.500 -3.031 2.327
123 HD1 PHE 12 HD1 PHE 12 1.186 -2.251 4.501
124 HD2 PHE 12 HD2 PHE 12 -1.189 -5.477 3.065
125 HE1 PHE 12 HE1 PHE 12 1.822 -3.589 6.466
126 HE2 PHE 12 HE2 PHE 12 -0.558 -6.820 5.028
127 HZ PHE 12 HZ PHE 12 0.948 -5.876 6.732
128 H SER 13 HN SER 13 -1.519 -2.867 -0.567
129 HA SER 13 HA SER 13 -2.918 -5.330 -0.577
130 1HB SER 13 HB2 SER 13 -4.119 -3.403 -1.301
131 2HB SER 13 HB1 SER 13 -2.881 -2.988 -2.486
132 HG SER 13 HG SER 13 -4.461 -5.343 -2.581
133 H LYS 14 HN LYS 14 -0.239 -4.045 -2.430
134 HA LYS 14 HA LYS 14 -0.232 -5.989 -4.481
135 1HB LYS 14 HB2 LYS 14 1.581 -3.898 -3.495
136 2HB LYS 14 HB1 LYS 14 2.407 -5.275 -4.211
137 1HG LYS 14 HG2 LYS 14 0.747 -4.953 -6.166
138 2HG LYS 14 HG1 LYS 14 0.510 -3.346 -5.477
139 1HD LYS 14 HD2 LYS 14 2.703 -2.707 -5.886
140 2HD LYS 14 HD1 LYS 14 3.273 -4.374 -5.987
141 1HE LYS 14 HE2 LYS 14 2.690 -4.583 -8.164
142 2HE LYS 14 HE1 LYS 14 1.266 -3.559 -7.991
143 1HZ LYS 14 HZ1 LYS 14 2.620 -1.619 -8.082
144 2HZ LYS 14 HZ2 LYS 14 3.051 -2.597 -9.392
145 3HZ LYS 14 HZ3 LYS 14 4.047 -2.526 -8.027
146 H ILE 15 HN ILE 15 0.989 -5.937 -1.211
147 HA ILE 15 HA ILE 15 2.713 -8.171 -1.396
148 HB ILE 15 HB ILE 15 1.201 -7.257 1.054
149 1HG1 ILE 15 HG12 ILE 15 3.884 -6.339 -0.006
150 2HG1 ILE 15 HG11 ILE 15 2.411 -5.376 0.039
151 1HG2 ILE 15 HG21 ILE 15 2.276 -9.464 1.218
152 2HG2 ILE 15 HG22 ILE 15 3.015 -8.277 2.293
153 3HG2 ILE 15 HG23 ILE 15 3.820 -8.727 0.790
154 1HD1 ILE 15 HD11 ILE 15 4.192 -5.029 1.859
155 2HD1 ILE 15 HD12 ILE 15 3.553 -6.520 2.551
156 3HD1 ILE 15 HD13 ILE 15 2.497 -5.123 2.336
157 H TRP 16 HN TRP 16 -0.736 -7.818 -0.850
158 HA TRP 16 HA TRP 16 -1.226 -10.486 -0.021
159 1HB TRP 16 HB2 TRP 16 -2.841 -8.155 -0.836
160 2HB TRP 16 HB1 TRP 16 -3.589 -9.718 -1.149
161 HD1 TRP 16 HD1 TRP 16 -2.636 -11.275 1.442
162 HE1 TRP 16 HE1 TRP 16 -3.620 -10.650 3.737
163 HE3 TRP 16 HE3 TRP 16 -4.236 -6.538 0.376
164 HZ2 TRP 16 HZ2 TRP 16 -4.904 -8.440 4.937
165 HZ3 TRP 16 HZ3 TRP 16 -5.332 -5.235 2.153
166 HH2 TRP 16 HH2 TRP 16 -5.659 -6.169 4.385
167 H ASN 17 HN ASN 17 -1.173 -8.876 -3.157
168 HA ASN 17 HA ASN 17 -2.121 -11.128 -4.629
169 1HB ASN 17 HB2 ASN 17 -1.086 -8.436 -5.239
170 2HB ASN 17 HB1 ASN 17 -0.753 -9.648 -6.472
171 1HD2 ASN 17 HD21 ASN 17 -3.422 -8.572 -4.396
172 2HD2 ASN 17 HD22 ASN 17 -4.641 -8.689 -5.615
173 H TRP 18 HN TRP 18 0.976 -10.067 -3.473
174 HA TRP 18 HA TRP 18 2.465 -11.889 -5.160
175 1HB TRP 18 HB2 TRP 18 3.182 -9.550 -4.133
176 2HB TRP 18 HB1 TRP 18 3.689 -10.560 -2.784
177 HD1 TRP 18 HD1 TRP 18 5.508 -12.573 -3.463
178 HE1 TRP 18 HE1 TRP 18 7.448 -12.469 -5.150
179 HE3 TRP 18 HE3 TRP 18 3.966 -8.558 -6.228
180 HZ2 TRP 18 HZ2 TRP 18 8.223 -10.895 -7.362
181 HZ3 TRP 18 HZ3 TRP 18 5.364 -7.817 -8.112
182 HH2 TRP 18 HH2 TRP 18 7.449 -8.962 -8.666
183 H LYS 19 HN LYS 19 1.144 -11.796 -1.934
184 HA LYS 19 HA LYS 19 2.672 -13.961 -0.887
185 1HB LYS 19 HB2 LYS 19 0.644 -12.161 0.051
186 2HB LYS 19 HB1 LYS 19 0.195 -13.806 0.478
187 1HG LYS 19 HG2 LYS 19 2.412 -14.104 1.522
188 2HG LYS 19 HG1 LYS 19 2.774 -12.414 1.165
189 1HD LYS 19 HD2 LYS 19 0.691 -11.825 2.473
190 2HD LYS 19 HD1 LYS 19 0.652 -13.509 3.001
191 1HE LYS 19 HE2 LYS 19 3.243 -12.151 3.312
192 2HE LYS 19 HE1 LYS 19 1.939 -11.518 4.316
193 1HZ LYS 19 HZ1 LYS 19 2.208 -14.411 4.245
194 2HZ LYS 19 HZ2 LYS 19 1.861 -13.387 5.546
195 3HZ LYS 19 HZ3 LYS 19 3.458 -13.575 5.021
196 1HN NH2 20 NH1 NH2 20 2.551 -15.966 -1.592
197 2HN NH2 20 NH2 NH2 20 1.126 -16.784 -2.126
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 -3.286 18.000 4.031
2 2H ALA 1 HT2 ALA 1 -2.671 16.851 2.915
3 3H ALA 1 HT3 ALA 1 -1.830 18.322 3.186
4 HA ALA 1 HA ALA 1 -1.125 17.712 5.243
5 1HB ALA 1 HB1 ALA 1 -2.844 16.914 6.479
6 2HB ALA 1 HB2 ALA 1 -2.107 15.364 6.073
7 3HB ALA 1 HB3 ALA 1 -3.494 15.949 5.154
8 H LYS 2 HN LYS 2 0.345 15.928 5.877
9 HA LYS 2 HA LYS 2 1.371 14.601 3.475
10 1HB LYS 2 HB2 LYS 2 2.882 16.104 4.780
11 2HB LYS 2 HB1 LYS 2 2.739 15.000 6.141
12 1HG LYS 2 HG2 LYS 2 4.254 13.606 5.301
13 2HG LYS 2 HG1 LYS 2 3.517 13.641 3.698
14 1HD LYS 2 HD2 LYS 2 4.924 15.238 2.946
15 2HD LYS 2 HD1 LYS 2 4.937 16.096 4.488
16 1HE LYS 2 HE2 LYS 2 6.792 15.050 5.183
17 2HE LYS 2 HE1 LYS 2 6.239 13.484 4.592
18 1HZ LYS 2 HZ1 LYS 2 8.286 14.455 3.506
19 2HZ LYS 2 HZ2 LYS 2 7.260 15.579 2.768
20 3HZ LYS 2 HZ3 LYS 2 7.065 13.927 2.461
21 H LYS 3 HN LYS 3 -0.766 13.290 4.215
22 HA LYS 3 HA LYS 3 0.200 10.991 5.800
23 1HB LYS 3 HB2 LYS 3 -2.326 10.509 6.034
24 2HB LYS 3 HB1 LYS 3 -1.632 11.798 7.006
25 1HG LYS 3 HG2 LYS 3 -3.602 12.721 6.230
26 2HG LYS 3 HG1 LYS 3 -2.403 13.354 5.103
27 1HD LYS 3 HD2 LYS 3 -3.546 10.785 4.294
28 2HD LYS 3 HD1 LYS 3 -4.730 12.088 4.405
29 1HE LYS 3 HE2 LYS 3 -2.131 12.504 2.978
30 2HE LYS 3 HE1 LYS 3 -3.479 11.703 2.171
31 1HZ LYS 3 HZ1 LYS 3 -3.183 14.270 2.014
32 2HZ LYS 3 HZ2 LYS 3 -3.951 14.268 3.521
33 3HZ LYS 3 HZ3 LYS 3 -4.730 13.603 2.175
34 H VAL 4 HN VAL 4 0.840 11.281 3.116
35 HA VAL 4 HA VAL 4 -0.878 9.767 1.422
36 HB VAL 4 HB VAL 4 2.135 9.894 1.198
37 1HG1 VAL 4 HG11 VAL 4 1.810 9.475 -1.112
38 2HG1 VAL 4 HG12 VAL 4 0.071 9.738 -0.986
39 3HG1 VAL 4 HG13 VAL 4 0.803 8.314 -0.247
40 1HG2 VAL 4 HG21 VAL 4 1.666 11.867 -0.338
41 2HG2 VAL 4 HG22 VAL 4 1.532 12.162 1.395
42 3HG2 VAL 4 HG23 VAL 4 0.077 11.944 0.422
43 H PHE 5 HN PHE 5 1.036 9.099 4.079
44 HA PHE 5 HA PHE 5 2.106 6.639 3.859
45 1HB PHE 5 HB2 PHE 5 2.106 8.172 5.847
46 2HB PHE 5 HB1 PHE 5 0.475 7.625 6.198
47 HD1 PHE 5 HD1 PHE 5 3.733 5.996 5.353
48 HD2 PHE 5 HD2 PHE 5 0.346 6.129 7.925
49 HE1 PHE 5 HE1 PHE 5 4.647 4.113 6.646
50 HE2 PHE 5 HE2 PHE 5 1.253 4.247 9.224
51 HZ PHE 5 HZ PHE 5 3.407 3.237 8.585
52 H LYS 6 HN LYS 6 -1.211 7.455 3.929
53 HA LYS 6 HA LYS 6 -2.298 4.928 4.560
54 1HB LYS 6 HB2 LYS 6 -3.313 7.469 4.052
55 2HB LYS 6 HB1 LYS 6 -3.943 6.494 2.731
56 1HG LYS 6 HG2 LYS 6 -4.464 4.861 4.803
57 2HG LYS 6 HG1 LYS 6 -4.572 6.429 5.606
58 1HD LYS 6 HD2 LYS 6 -6.691 6.422 4.856
59 2HD LYS 6 HD1 LYS 6 -5.969 6.898 3.318
60 1HE LYS 6 HE2 LYS 6 -7.431 5.086 2.859
61 2HE LYS 6 HE1 LYS 6 -5.788 4.453 2.765
62 1HZ LYS 6 HZ1 LYS 6 -6.649 2.868 4.086
63 2HZ LYS 6 HZ2 LYS 6 -7.901 3.849 4.662
64 3HZ LYS 6 HZ3 LYS 6 -6.349 3.986 5.320
65 H ARG 7 HN ARG 7 -1.408 6.481 1.512
66 HA ARG 7 HA ARG 7 -2.415 4.527 -0.230
67 1HB ARG 7 HB2 ARG 7 -0.456 6.722 -0.389
68 2HB ARG 7 HB1 ARG 7 -0.182 5.413 -1.530
69 1HG ARG 7 HG2 ARG 7 -2.777 5.742 -1.954
70 2HG ARG 7 HG1 ARG 7 -2.402 7.367 -1.376
71 1HD ARG 7 HD2 ARG 7 -0.833 7.724 -3.103
72 2HD ARG 7 HD1 ARG 7 -0.805 6.015 -3.534
73 HE ARG 7 HE ARG 7 -3.401 7.144 -3.852
74 1HH1 ARG 7 HH11 ARG 7 -0.261 6.892 -5.354
75 2HH1 ARG 7 HH12 ARG 7 -0.871 7.129 -6.957
76 1HH2 ARG 7 HH21 ARG 7 -4.205 7.456 -5.960
77 2HH2 ARG 7 HH22 ARG 7 -3.109 7.451 -7.302
78 H LEU 8 HN LEU 8 0.509 4.692 1.683
79 HA LEU 8 HA LEU 8 1.956 2.621 0.457
80 1HB LEU 8 HB2 LEU 8 2.511 4.357 2.419
81 2HB LEU 8 HB1 LEU 8 2.138 2.955 3.403
82 HG LEU 8 HG LEU 8 3.855 1.880 1.571
83 1HD1 LEU 8 HD11 LEU 8 5.422 3.315 0.827
84 2HD1 LEU 8 HD12 LEU 8 5.347 4.317 2.277
85 3HD1 LEU 8 HD13 LEU 8 4.130 4.502 1.014
86 1HD2 LEU 8 HD21 LEU 8 5.254 1.556 3.362
87 2HD2 LEU 8 HD22 LEU 8 3.743 1.935 4.188
88 3HD2 LEU 8 HD23 LEU 8 4.984 3.175 4.007
89 H GLU 9 HN GLU 9 -0.582 2.612 2.892
90 HA GLU 9 HA GLU 9 -0.343 -0.099 3.648
91 1HB GLU 9 HB2 GLU 9 -2.255 2.079 4.050
92 2HB GLU 9 HB1 GLU 9 -3.025 0.502 3.959
93 1HG GLU 9 HG2 GLU 9 -2.178 -0.177 5.926
94 2HG GLU 9 HG1 GLU 9 -0.640 0.647 5.671
95 H LYS 10 HN LYS 10 -2.028 1.521 1.028
96 HA LYS 10 HA LYS 10 -3.557 -0.712 0.185
97 1HB LYS 10 HB2 LYS 10 -3.208 1.984 -0.624
98 2HB LYS 10 HB1 LYS 10 -2.881 0.984 -2.032
99 1HG LYS 10 HG2 LYS 10 -5.118 1.228 -2.281
100 2HG LYS 10 HG1 LYS 10 -5.117 -0.201 -1.245
101 1HD LYS 10 HD2 LYS 10 -5.951 0.926 0.533
102 2HD LYS 10 HD1 LYS 10 -5.076 2.407 0.139
103 1HE LYS 10 HE2 LYS 10 -6.699 3.120 -1.357
104 2HE LYS 10 HE1 LYS 10 -7.346 1.495 -1.582
105 1HZ LYS 10 HZ1 LYS 10 -8.384 1.567 0.519
106 2HZ LYS 10 HZ2 LYS 10 -8.743 3.045 -0.221
107 3HZ LYS 10 HZ3 LYS 10 -7.555 2.968 0.981
108 H LEU 11 HN LEU 11 -0.342 0.491 -0.605
109 HA LEU 11 HA LEU 11 0.203 -1.287 -2.722
110 1HB LEU 11 HB2 LEU 11 1.522 0.803 -1.560
111 2HB LEU 11 HB1 LEU 11 2.476 -0.556 -0.998
112 HG LEU 11 HG LEU 11 1.835 -0.149 -3.911
113 1HD1 LEU 11 HD11 LEU 11 4.222 0.734 -4.001
114 2HD1 LEU 11 HD12 LEU 11 4.066 1.000 -2.264
115 3HD1 LEU 11 HD13 LEU 11 2.982 1.826 -3.384
116 1HD2 LEU 11 HD21 LEU 11 4.026 -1.676 -2.510
117 2HD2 LEU 11 HD22 LEU 11 3.744 -1.604 -4.249
118 3HD2 LEU 11 HD23 LEU 11 2.565 -2.387 -3.196
119 H PHE 12 HN PHE 12 0.299 -1.613 0.751
120 HA PHE 12 HA PHE 12 1.862 -3.960 0.899
121 1HB PHE 12 HB2 PHE 12 1.233 -2.432 2.821
122 2HB PHE 12 HB1 PHE 12 -0.360 -3.180 2.793
123 HD1 PHE 12 HD1 PHE 12 3.166 -3.637 3.613
124 HD2 PHE 12 HD2 PHE 12 -0.674 -5.469 3.519
125 HE1 PHE 12 HE1 PHE 12 3.994 -5.438 5.071
126 HE2 PHE 12 HE2 PHE 12 0.146 -7.272 4.978
127 HZ PHE 12 HZ PHE 12 2.483 -7.258 5.757
128 H SER 13 HN SER 13 -1.573 -3.381 0.379
129 HA SER 13 HA SER 13 -2.447 -6.046 0.667
130 1HB SER 13 HB2 SER 13 -4.482 -5.341 -0.347
131 2HB SER 13 HB1 SER 13 -3.888 -3.938 0.541
132 HG SER 13 HG SER 13 -3.513 -2.920 -1.288
133 H LYS 14 HN LYS 14 -1.017 -4.280 -1.997
134 HA LYS 14 HA LYS 14 -1.572 -6.157 -4.035
135 1HB LYS 14 HB2 LYS 14 0.588 -4.070 -3.735
136 2HB LYS 14 HB1 LYS 14 0.419 -5.063 -5.176
137 1HG LYS 14 HG2 LYS 14 -1.848 -3.403 -4.129
138 2HG LYS 14 HG1 LYS 14 -0.621 -2.741 -5.212
139 1HD LYS 14 HD2 LYS 14 -2.317 -5.165 -5.806
140 2HD LYS 14 HD1 LYS 14 -2.646 -3.535 -6.399
141 1HE LYS 14 HE2 LYS 14 -1.439 -4.177 -8.179
142 2HE LYS 14 HE1 LYS 14 -0.053 -3.856 -7.139
143 1HZ LYS 14 HZ1 LYS 14 0.423 -5.965 -7.786
144 2HZ LYS 14 HZ2 LYS 14 -1.197 -6.413 -7.974
145 3HZ LYS 14 HZ3 LYS 14 -0.518 -6.331 -6.428
146 H ILE 15 HN ILE 15 0.863 -5.959 -1.550
147 HA ILE 15 HA ILE 15 2.684 -7.838 -2.632
148 HB ILE 15 HB ILE 15 2.215 -7.256 0.295
149 1HG1 ILE 15 HG12 ILE 15 4.019 -5.842 -1.682
150 2HG1 ILE 15 HG11 ILE 15 2.569 -5.168 -0.946
151 1HG2 ILE 15 HG21 ILE 15 3.649 -9.244 -0.482
152 2HG2 ILE 15 HG22 ILE 15 4.334 -8.132 0.702
153 3HG2 ILE 15 HG23 ILE 15 4.811 -8.019 -0.992
154 1HD1 ILE 15 HD11 ILE 15 3.579 -5.098 1.189
155 2HD1 ILE 15 HD12 ILE 15 4.745 -4.427 0.048
156 3HD1 ILE 15 HD13 ILE 15 4.945 -6.073 0.649
157 H TRP 16 HN TRP 16 -0.225 -8.119 -0.687
158 HA TRP 16 HA TRP 16 0.103 -10.849 0.012
159 1HB TRP 16 HB2 TRP 16 -1.640 -8.878 0.751
160 2HB TRP 16 HB1 TRP 16 -2.664 -9.873 -0.279
161 HD1 TRP 16 HD1 TRP 16 -3.963 -11.595 1.076
162 HE1 TRP 16 HE1 TRP 16 -3.548 -12.975 3.208
163 HE3 TRP 16 HE3 TRP 16 0.737 -9.937 2.216
164 HZ2 TRP 16 HZ2 TRP 16 -1.499 -13.316 5.120
165 HZ3 TRP 16 HZ3 TRP 16 1.854 -10.840 4.213
166 HH2 TRP 16 HH2 TRP 16 0.758 -12.494 5.635
167 H ASN 17 HN ASN 17 -1.149 -9.196 -2.791
168 HA ASN 17 HA ASN 17 -2.458 -11.473 -3.923
169 1HB ASN 17 HB2 ASN 17 -1.533 -8.883 -5.187
170 2HB ASN 17 HB1 ASN 17 -2.534 -10.089 -5.990
171 1HD2 ASN 17 HD21 ASN 17 -3.230 -7.384 -5.549
172 2HD2 ASN 17 HD22 ASN 17 -4.615 -7.358 -4.517
173 H TRP 18 HN TRP 18 0.781 -10.228 -3.910
174 HA TRP 18 HA TRP 18 1.651 -11.817 -6.159
175 1HB TRP 18 HB2 TRP 18 2.624 -9.558 -5.440
176 2HB TRP 18 HB1 TRP 18 3.437 -10.446 -4.155
177 HD1 TRP 18 HD1 TRP 18 3.064 -11.679 -7.794
178 HE1 TRP 18 HE1 TRP 18 5.421 -11.972 -8.787
179 HE3 TRP 18 HE3 TRP 18 5.818 -9.806 -3.915
180 HZ2 TRP 18 HZ2 TRP 18 8.093 -11.475 -8.026
181 HZ3 TRP 18 HZ3 TRP 18 8.268 -9.751 -4.127
182 HH2 TRP 18 HH2 TRP 18 9.381 -10.569 -6.140
183 H LYS 19 HN LYS 19 1.672 -12.030 -2.658
184 HA LYS 19 HA LYS 19 3.378 -14.371 -2.657
185 1HB LYS 19 HB2 LYS 19 3.066 -14.349 -0.232
186 2HB LYS 19 HB1 LYS 19 3.534 -12.759 -0.819
187 1HG LYS 19 HG2 LYS 19 1.862 -12.096 0.534
188 2HG LYS 19 HG1 LYS 19 0.873 -12.477 -0.877
189 1HD LYS 19 HD2 LYS 19 -0.097 -13.452 1.127
190 2HD LYS 19 HD1 LYS 19 0.459 -14.721 0.035
191 1HE LYS 19 HE2 LYS 19 2.598 -14.020 1.783
192 2HE LYS 19 HE1 LYS 19 1.152 -14.302 2.750
193 1HZ LYS 19 HZ1 LYS 19 0.897 -16.436 1.525
194 2HZ LYS 19 HZ2 LYS 19 2.278 -16.360 2.499
195 3HZ LYS 19 HZ3 LYS 19 2.414 -16.171 0.824
196 1HN NH2 20 NH1 NH2 20 -0.014 -13.607 -2.442
197 2HN NH2 20 NH2 NH2 20 -0.589 -15.235 -2.388
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 -3.769 16.326 4.662
2 2H ALA 1 HT2 ALA 1 -3.217 17.831 4.048
3 3H ALA 1 HT3 ALA 1 -3.753 17.710 5.674
4 HA ALA 1 HA ALA 1 -1.330 17.805 5.357
5 1HB ALA 1 HB1 ALA 1 -0.959 15.820 6.913
6 2HB ALA 1 HB2 ALA 1 -2.693 15.534 6.771
7 3HB ALA 1 HB3 ALA 1 -2.103 17.055 7.440
8 H LYS 2 HN LYS 2 0.416 15.876 5.459
9 HA LYS 2 HA LYS 2 0.288 14.652 2.799
10 1HB LYS 2 HB2 LYS 2 2.703 14.475 2.927
11 2HB LYS 2 HB1 LYS 2 2.211 16.120 3.302
12 1HG LYS 2 HG2 LYS 2 3.433 15.993 5.143
13 2HG LYS 2 HG1 LYS 2 2.288 14.801 5.761
14 1HD LYS 2 HD2 LYS 2 4.087 13.456 5.864
15 2HD LYS 2 HD1 LYS 2 3.830 13.266 4.129
16 1HE LYS 2 HE2 LYS 2 5.904 14.027 3.849
17 2HE LYS 2 HE1 LYS 2 5.299 15.608 4.345
18 1HZ LYS 2 HZ1 LYS 2 6.107 15.350 6.466
19 2HZ LYS 2 HZ2 LYS 2 7.303 14.558 5.570
20 3HZ LYS 2 HZ3 LYS 2 6.126 13.660 6.389
21 H LYS 3 HN LYS 3 -1.301 13.271 4.378
22 HA LYS 3 HA LYS 3 0.235 11.043 5.522
23 1HB LYS 3 HB2 LYS 3 -1.923 10.327 6.490
24 2HB LYS 3 HB1 LYS 3 -1.495 11.965 6.966
25 1HG LYS 3 HG2 LYS 3 -3.522 12.584 6.321
26 2HG LYS 3 HG1 LYS 3 -3.010 12.285 4.659
27 1HD LYS 3 HD2 LYS 3 -4.168 10.346 4.511
28 2HD LYS 3 HD1 LYS 3 -3.866 9.915 6.196
29 1HE LYS 3 HE2 LYS 3 -5.811 12.030 5.279
30 2HE LYS 3 HE1 LYS 3 -6.253 10.378 5.706
31 1HZ LYS 3 HZ1 LYS 3 -6.582 11.316 7.710
32 2HZ LYS 3 HZ2 LYS 3 -5.523 12.604 7.424
33 3HZ LYS 3 HZ3 LYS 3 -4.913 11.095 7.881
34 H VAL 4 HN VAL 4 0.251 11.330 2.751
35 HA VAL 4 HA VAL 4 -1.610 9.575 1.490
36 HB VAL 4 HB VAL 4 -0.252 11.139 0.160
37 1HG1 VAL 4 HG11 VAL 4 1.817 10.474 1.760
38 2HG1 VAL 4 HG12 VAL 4 1.997 11.262 0.193
39 3HG1 VAL 4 HG13 VAL 4 2.198 9.516 0.330
40 1HG2 VAL 4 HG21 VAL 4 -0.949 8.643 -0.552
41 2HG2 VAL 4 HG22 VAL 4 0.793 8.554 -0.811
42 3HG2 VAL 4 HG23 VAL 4 -0.162 9.781 -1.645
43 H PHE 5 HN PHE 5 0.908 9.222 3.651
44 HA PHE 5 HA PHE 5 2.225 6.921 3.192
45 1HB PHE 5 HB2 PHE 5 2.456 8.493 5.133
46 2HB PHE 5 HB1 PHE 5 1.030 7.748 5.836
47 HD1 PHE 5 HD1 PHE 5 1.782 6.665 7.742
48 HD2 PHE 5 HD2 PHE 5 3.914 6.167 4.093
49 HE1 PHE 5 HE1 PHE 5 3.197 4.957 8.807
50 HE2 PHE 5 HE2 PHE 5 5.333 4.457 5.151
51 HZ PHE 5 HZ PHE 5 4.975 3.851 7.511
52 H LYS 6 HN LYS 6 -1.079 7.281 3.982
53 HA LYS 6 HA LYS 6 -1.619 4.629 4.818
54 1HB LYS 6 HB2 LYS 6 -3.068 6.815 5.003
55 2HB LYS 6 HB1 LYS 6 -3.684 6.306 3.438
56 1HG LYS 6 HG2 LYS 6 -3.660 4.412 5.751
57 2HG LYS 6 HG1 LYS 6 -4.945 5.608 5.572
58 1HD LYS 6 HD2 LYS 6 -5.357 4.728 3.279
59 2HD LYS 6 HD1 LYS 6 -4.177 3.456 3.602
60 1HE LYS 6 HE2 LYS 6 -5.740 3.166 5.759
61 2HE LYS 6 HE1 LYS 6 -6.930 3.806 4.626
62 1HZ LYS 6 HZ1 LYS 6 -5.227 1.410 4.195
63 2HZ LYS 6 HZ2 LYS 6 -6.335 2.033 3.079
64 3HZ LYS 6 HZ3 LYS 6 -6.881 1.404 4.551
65 H ARG 7 HN ARG 7 -1.707 6.268 1.692
66 HA ARG 7 HA ARG 7 -2.815 4.156 0.201
67 1HB ARG 7 HB2 ARG 7 -1.224 6.593 -0.425
68 2HB ARG 7 HB1 ARG 7 -1.307 5.342 -1.658
69 1HG ARG 7 HG2 ARG 7 -3.932 5.635 -0.837
70 2HG ARG 7 HG1 ARG 7 -3.297 7.281 -0.842
71 1HD ARG 7 HD2 ARG 7 -4.281 6.659 -3.006
72 2HD ARG 7 HD1 ARG 7 -2.560 7.021 -3.137
73 HE ARG 7 HE ARG 7 -2.595 4.340 -2.810
74 1HH1 ARG 7 HH11 ARG 7 -4.260 6.490 -4.997
75 2HH1 ARG 7 HH12 ARG 7 -4.355 5.322 -6.272
76 1HH2 ARG 7 HH21 ARG 7 -2.719 2.802 -4.485
77 2HH2 ARG 7 HH22 ARG 7 -3.481 3.228 -5.981
78 H LEU 8 HN LEU 8 0.432 4.837 1.313
79 HA LEU 8 HA LEU 8 1.812 2.996 -0.317
80 1HB LEU 8 HB2 LEU 8 2.385 4.671 1.972
81 2HB LEU 8 HB1 LEU 8 3.159 3.107 2.140
82 HG LEU 8 HG LEU 8 3.458 4.800 -0.333
83 1HD1 LEU 8 HD11 LEU 8 5.805 5.150 0.813
84 2HD1 LEU 8 HD12 LEU 8 4.856 4.947 2.285
85 3HD1 LEU 8 HD13 LEU 8 4.451 6.229 1.144
86 1HD2 LEU 8 HD21 LEU 8 5.424 3.409 -0.700
87 2HD2 LEU 8 HD22 LEU 8 3.972 2.418 -0.562
88 3HD2 LEU 8 HD23 LEU 8 5.094 2.530 0.793
89 H GLU 9 HN GLU 9 0.183 2.686 2.799
90 HA GLU 9 HA GLU 9 1.033 0.037 3.334
91 1HB GLU 9 HB2 GLU 9 -0.862 1.954 4.467
92 2HB GLU 9 HB1 GLU 9 -1.429 0.293 4.578
93 1HG GLU 9 HG2 GLU 9 0.357 -0.361 5.911
94 2HG GLU 9 HG1 GLU 9 1.336 1.030 5.448
95 H LYS 10 HN LYS 10 -1.550 1.411 1.434
96 HA LYS 10 HA LYS 10 -3.043 -0.991 1.116
97 1HB LYS 10 HB2 LYS 10 -2.967 1.645 -0.325
98 2HB LYS 10 HB1 LYS 10 -3.906 0.305 -0.971
99 1HG LYS 10 HG2 LYS 10 -4.608 0.456 1.725
100 2HG LYS 10 HG1 LYS 10 -4.536 2.128 1.164
101 1HD LYS 10 HD2 LYS 10 -6.756 1.378 0.784
102 2HD LYS 10 HD1 LYS 10 -5.960 1.412 -0.790
103 1HE LYS 10 HE2 LYS 10 -7.303 -0.617 -0.488
104 2HE LYS 10 HE1 LYS 10 -5.589 -0.985 -0.681
105 1HZ LYS 10 HZ1 LYS 10 -7.016 -2.085 1.204
106 2HZ LYS 10 HZ2 LYS 10 -6.634 -0.663 2.035
107 3HZ LYS 10 HZ3 LYS 10 -5.397 -1.667 1.467
108 H LEU 11 HN LEU 11 -0.390 0.532 -0.614
109 HA LEU 11 HA LEU 11 -0.436 -1.197 -2.864
110 1HB LEU 11 HB2 LEU 11 1.463 0.770 -1.707
111 2HB LEU 11 HB1 LEU 11 2.136 -0.430 -2.794
112 HG LEU 11 HG LEU 11 -0.229 0.711 -3.968
113 1HD1 LEU 11 HD11 LEU 11 1.153 2.976 -4.295
114 2HD1 LEU 11 HD12 LEU 11 1.625 2.589 -2.641
115 3HD1 LEU 11 HD13 LEU 11 -0.080 2.772 -3.051
116 1HD2 LEU 11 HD21 LEU 11 2.430 1.356 -5.052
117 2HD2 LEU 11 HD22 LEU 11 1.030 0.620 -5.832
118 3HD2 LEU 11 HD23 LEU 11 2.095 -0.361 -4.825
119 H PHE 12 HN PHE 12 1.061 -1.344 0.307
120 HA PHE 12 HA PHE 12 2.748 -3.563 -0.235
121 1HB PHE 12 HB2 PHE 12 2.228 -1.861 1.963
122 2HB PHE 12 HB1 PHE 12 1.911 -3.499 2.521
123 HD1 PHE 12 HD1 PHE 12 4.431 -2.207 0.105
124 HD2 PHE 12 HD2 PHE 12 3.701 -4.102 3.845
125 HE1 PHE 12 HE1 PHE 12 6.847 -2.574 0.386
126 HE2 PHE 12 HE2 PHE 12 6.117 -4.471 4.134
127 HZ PHE 12 HZ PHE 12 7.693 -3.706 2.403
128 H SER 13 HN SER 13 -0.592 -3.198 0.736
129 HA SER 13 HA SER 13 -1.054 -5.882 1.502
130 1HB SER 13 HB2 SER 13 -2.544 -3.824 1.923
131 2HB SER 13 HB1 SER 13 -3.143 -4.079 0.284
132 HG SER 13 HG SER 13 -3.656 -6.260 0.985
133 H LYS 14 HN LYS 14 -0.989 -4.214 -1.569
134 HA LYS 14 HA LYS 14 -2.283 -6.183 -3.123
135 1HB LYS 14 HB2 LYS 14 -1.231 -3.679 -3.596
136 2HB LYS 14 HB1 LYS 14 -0.134 -4.727 -4.486
137 1HG LYS 14 HG2 LYS 14 -2.327 -5.771 -5.422
138 2HG LYS 14 HG1 LYS 14 -3.047 -4.248 -4.899
139 1HD LYS 14 HD2 LYS 14 -0.635 -3.637 -6.261
140 2HD LYS 14 HD1 LYS 14 -1.529 -4.794 -7.249
141 1HE LYS 14 HE2 LYS 14 -3.247 -3.352 -7.629
142 2HE LYS 14 HE1 LYS 14 -3.062 -2.551 -6.069
143 1HZ LYS 14 HZ1 LYS 14 -2.277 -0.931 -7.426
144 2HZ LYS 14 HZ2 LYS 14 -1.725 -2.007 -8.609
145 3HZ LYS 14 HZ3 LYS 14 -0.827 -1.773 -7.196
146 H ILE 15 HN ILE 15 1.020 -5.795 -2.001
147 HA ILE 15 HA ILE 15 2.223 -7.742 -3.650
148 HB ILE 15 HB ILE 15 3.046 -6.997 -0.842
149 1HG1 ILE 15 HG12 ILE 15 2.704 -5.061 -2.480
150 2HG1 ILE 15 HG11 ILE 15 4.280 -5.180 -1.712
151 1HG2 ILE 15 HG21 ILE 15 4.225 -8.633 -2.966
152 2HG2 ILE 15 HG22 ILE 15 4.523 -8.638 -1.228
153 3HG2 ILE 15 HG23 ILE 15 5.326 -7.451 -2.257
154 1HD1 ILE 15 HD11 ILE 15 5.132 -6.284 -3.759
155 2HD1 ILE 15 HD12 ILE 15 4.569 -4.634 -4.021
156 3HD1 ILE 15 HD13 ILE 15 3.565 -5.997 -4.516
157 H TRP 16 HN TRP 16 0.439 -7.928 -0.640
158 HA TRP 16 HA TRP 16 1.106 -10.610 -0.005
159 1HB TRP 16 HB2 TRP 16 -0.665 -8.548 1.020
160 2HB TRP 16 HB1 TRP 16 -1.437 -10.130 1.055
161 HD1 TRP 16 HD1 TRP 16 -0.552 -11.887 2.804
162 HE1 TRP 16 HE1 TRP 16 1.090 -11.733 4.780
163 HE3 TRP 16 HE3 TRP 16 1.547 -7.341 1.766
164 HZ2 TRP 16 HZ2 TRP 16 3.019 -9.925 5.769
165 HZ3 TRP 16 HZ3 TRP 16 3.283 -6.471 3.277
166 HH2 TRP 16 HH2 TRP 16 4.002 -7.737 5.237
167 H ASN 17 HN ASN 17 -1.125 -9.157 -2.219
168 HA ASN 17 HA ASN 17 -2.806 -11.455 -2.529
169 1HB ASN 17 HB2 ASN 17 -3.064 -8.830 -3.205
170 2HB ASN 17 HB1 ASN 17 -2.649 -9.534 -4.765
171 1HD2 ASN 17 HD21 ASN 17 -4.347 -10.028 -5.926
172 2HD2 ASN 17 HD22 ASN 17 -5.870 -10.587 -5.331
173 H TRP 18 HN TRP 18 0.201 -10.367 -3.877
174 HA TRP 18 HA TRP 18 0.103 -12.140 -6.150
175 1HB TRP 18 HB2 TRP 18 1.706 -9.923 -5.309
176 2HB TRP 18 HB1 TRP 18 2.767 -11.283 -5.660
177 HD1 TRP 18 HD1 TRP 18 2.141 -8.459 -7.407
178 HE1 TRP 18 HE1 TRP 18 1.754 -8.772 -9.932
179 HE3 TRP 18 HE3 TRP 18 0.998 -13.442 -7.442
180 HZ2 TRP 18 HZ2 TRP 18 1.056 -10.856 -11.704
181 HZ3 TRP 18 HZ3 TRP 18 0.483 -14.519 -9.594
182 HH2 TRP 18 HH2 TRP 18 0.512 -13.251 -11.680
183 H LYS 19 HN LYS 19 1.426 -12.177 -2.905
184 HA LYS 19 HA LYS 19 3.246 -14.279 -3.171
185 1HB LYS 19 HB2 LYS 19 3.174 -14.484 -0.795
186 2HB LYS 19 HB1 LYS 19 2.990 -12.779 -1.177
187 1HG LYS 19 HG2 LYS 19 1.143 -12.717 0.034
188 2HG LYS 19 HG1 LYS 19 0.395 -13.888 -1.052
189 1HD LYS 19 HD2 LYS 19 0.692 -15.601 0.386
190 2HD LYS 19 HD1 LYS 19 2.273 -15.020 0.910
191 1HE LYS 19 HE2 LYS 19 1.129 -13.275 2.252
192 2HE LYS 19 HE1 LYS 19 -0.418 -13.989 1.799
193 1HZ LYS 19 HZ1 LYS 19 0.845 -16.124 2.747
194 2HZ LYS 19 HZ2 LYS 19 -0.109 -15.111 3.708
195 3HZ LYS 19 HZ3 LYS 19 1.572 -14.926 3.695
196 1HN NH2 20 NH1 NH2 20 -0.215 -14.295 -2.955
197 2HN NH2 20 NH2 NH2 20 -0.424 -16.008 -3.019
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 -3.686 13.829 6.551
2 2H ALA 1 HT2 ALA 1 -4.193 15.338 7.193
3 3H ALA 1 HT3 ALA 1 -2.615 15.167 6.542
4 HA ALA 1 HA ALA 1 -5.033 14.722 4.951
5 1HB ALA 1 HB1 ALA 1 -4.817 17.050 6.082
6 2HB ALA 1 HB2 ALA 1 -5.173 16.949 4.357
7 3HB ALA 1 HB3 ALA 1 -3.533 17.306 4.899
8 H LYS 2 HN LYS 2 -1.695 15.986 4.970
9 HA LYS 2 HA LYS 2 -1.311 14.952 2.267
10 1HB LYS 2 HB2 LYS 2 -0.481 17.270 3.453
11 2HB LYS 2 HB1 LYS 2 0.958 16.271 3.600
12 1HG LYS 2 HG2 LYS 2 -0.420 16.421 0.967
13 2HG LYS 2 HG1 LYS 2 0.569 17.782 1.499
14 1HD LYS 2 HD2 LYS 2 2.254 15.767 2.043
15 2HD LYS 2 HD1 LYS 2 1.365 15.048 0.699
16 1HE LYS 2 HE2 LYS 2 3.240 16.160 -0.236
17 2HE LYS 2 HE1 LYS 2 1.827 17.152 -0.595
18 1HZ LYS 2 HZ1 LYS 2 3.374 18.680 0.140
19 2HZ LYS 2 HZ2 LYS 2 3.997 17.657 1.334
20 3HZ LYS 2 HZ3 LYS 2 2.484 18.381 1.549
21 H LYS 3 HN LYS 3 -1.628 12.902 3.996
22 HA LYS 3 HA LYS 3 1.042 11.690 3.989
23 1HB LYS 3 HB2 LYS 3 0.726 10.746 6.223
24 2HB LYS 3 HB1 LYS 3 0.691 12.502 6.287
25 1HG LYS 3 HG2 LYS 3 -1.700 12.504 6.494
26 2HG LYS 3 HG1 LYS 3 -1.760 10.757 6.250
27 1HD LYS 3 HD2 LYS 3 -0.238 10.623 8.317
28 2HD LYS 3 HD1 LYS 3 -0.723 12.294 8.610
29 1HE LYS 3 HE2 LYS 3 -3.120 11.467 8.426
30 2HE LYS 3 HE1 LYS 3 -2.454 9.837 8.521
31 1HZ LYS 3 HZ1 LYS 3 -1.844 10.113 10.688
32 2HZ LYS 3 HZ2 LYS 3 -3.216 11.102 10.659
33 3HZ LYS 3 HZ3 LYS 3 -1.675 11.792 10.563
34 H VAL 4 HN VAL 4 -1.053 11.376 2.186
35 HA VAL 4 HA VAL 4 -2.561 9.014 2.700
36 HB VAL 4 HB VAL 4 -3.186 10.524 0.866
37 1HG1 VAL 4 HG11 VAL 4 -1.582 10.038 -1.259
38 2HG1 VAL 4 HG12 VAL 4 -0.403 10.038 0.052
39 3HG1 VAL 4 HG13 VAL 4 -1.436 11.444 -0.206
40 1HG2 VAL 4 HG21 VAL 4 -2.377 8.018 -0.535
41 2HG2 VAL 4 HG22 VAL 4 -3.910 8.890 -0.580
42 3HG2 VAL 4 HG23 VAL 4 -3.488 7.920 0.831
43 H PHE 5 HN PHE 5 0.663 9.705 2.217
44 HA PHE 5 HA PHE 5 1.855 7.739 0.823
45 1HB PHE 5 HB2 PHE 5 2.928 9.672 1.991
46 2HB PHE 5 HB1 PHE 5 2.762 8.792 3.501
47 HD1 PHE 5 HD1 PHE 5 3.794 7.555 0.147
48 HD2 PHE 5 HD2 PHE 5 4.932 8.327 4.174
49 HE1 PHE 5 HE1 PHE 5 5.958 6.456 -0.258
50 HE2 PHE 5 HE2 PHE 5 7.098 7.230 3.777
51 HZ PHE 5 HZ PHE 5 7.614 6.293 1.559
52 H LYS 6 HN LYS 6 0.273 7.445 3.838
53 HA LYS 6 HA LYS 6 1.371 4.954 4.640
54 1HB LYS 6 HB2 LYS 6 -0.254 6.811 5.832
55 2HB LYS 6 HB1 LYS 6 -1.388 5.508 5.503
56 1HG LYS 6 HG2 LYS 6 -0.196 3.987 6.835
57 2HG LYS 6 HG1 LYS 6 1.230 5.025 6.887
58 1HD LYS 6 HD2 LYS 6 0.443 5.694 8.876
59 2HD LYS 6 HD1 LYS 6 -0.707 6.649 7.938
60 1HE LYS 6 HE2 LYS 6 -1.951 5.428 9.561
61 2HE LYS 6 HE1 LYS 6 -2.252 4.680 7.993
62 1HZ LYS 6 HZ1 LYS 6 -1.004 2.839 8.533
63 2HZ LYS 6 HZ2 LYS 6 -1.722 3.201 10.021
64 3HZ LYS 6 HZ3 LYS 6 -0.115 3.640 9.730
65 H ARG 7 HN ARG 7 -1.445 5.903 2.748
66 HA ARG 7 HA ARG 7 -2.607 3.355 2.496
67 1HB ARG 7 HB2 ARG 7 -2.819 5.949 1.080
68 2HB ARG 7 HB1 ARG 7 -3.323 4.530 0.172
69 1HG ARG 7 HG2 ARG 7 -5.236 5.469 1.252
70 2HG ARG 7 HG1 ARG 7 -4.844 3.938 2.038
71 1HD ARG 7 HD2 ARG 7 -3.653 6.418 3.156
72 2HD ARG 7 HD1 ARG 7 -5.375 6.144 3.418
73 HE ARG 7 HE ARG 7 -3.733 3.876 4.065
74 1HH1 ARG 7 HH11 ARG 7 -5.068 6.873 5.255
75 2HH1 ARG 7 HH12 ARG 7 -4.982 6.396 6.918
76 1HH2 ARG 7 HH21 ARG 7 -3.617 3.247 6.251
77 2HH2 ARG 7 HH22 ARG 7 -4.157 4.338 7.484
78 H LEU 8 HN LEU 8 0.038 4.938 0.843
79 HA LEU 8 HA LEU 8 0.234 3.200 -1.369
80 1HB LEU 8 HB2 LEU 8 1.402 5.458 -0.950
81 2HB LEU 8 HB1 LEU 8 2.591 4.528 -0.057
82 HG LEU 8 HG LEU 8 2.040 3.486 -2.746
83 1HD1 LEU 8 HD11 LEU 8 1.899 5.630 -3.567
84 2HD1 LEU 8 HD12 LEU 8 3.636 5.340 -3.647
85 3HD1 LEU 8 HD13 LEU 8 2.961 6.292 -2.325
86 1HD2 LEU 8 HD21 LEU 8 4.671 3.825 -2.639
87 2HD2 LEU 8 HD22 LEU 8 3.864 2.478 -1.836
88 3HD2 LEU 8 HD23 LEU 8 4.331 3.905 -0.911
89 H GLU 9 HN GLU 9 1.636 3.103 1.880
90 HA GLU 9 HA GLU 9 3.208 0.778 1.422
91 1HB GLU 9 HB2 GLU 9 2.187 2.105 3.933
92 2HB GLU 9 HB1 GLU 9 3.159 0.641 3.975
93 1HG GLU 9 HG2 GLU 9 4.832 1.992 2.546
94 2HG GLU 9 HG1 GLU 9 3.934 3.396 3.121
95 H LYS 10 HN LYS 10 -0.105 1.359 2.338
96 HA LYS 10 HA LYS 10 -0.681 -1.289 3.209
97 1HB LYS 10 HB2 LYS 10 -2.060 1.175 3.058
98 2HB LYS 10 HB1 LYS 10 -2.998 0.025 2.114
99 1HG LYS 10 HG2 LYS 10 -2.849 -1.522 4.117
100 2HG LYS 10 HG1 LYS 10 -2.245 -0.127 5.015
101 1HD LYS 10 HD2 LYS 10 -4.262 0.922 5.009
102 2HD LYS 10 HD1 LYS 10 -4.721 0.262 3.438
103 1HE LYS 10 HE2 LYS 10 -6.106 -0.624 5.271
104 2HE LYS 10 HE1 LYS 10 -5.199 -1.887 4.440
105 1HZ LYS 10 HZ1 LYS 10 -5.275 -1.652 7.076
106 2HZ LYS 10 HZ2 LYS 10 -3.916 -0.696 6.763
107 3HZ LYS 10 HZ3 LYS 10 -3.951 -2.308 6.253
108 H LEU 11 HN LEU 11 -0.597 0.346 0.127
109 HA LEU 11 HA LEU 11 -2.048 -1.565 -1.371
110 1HB LEU 11 HB2 LEU 11 -1.561 0.712 -2.178
111 2HB LEU 11 HB1 LEU 11 0.143 0.311 -2.269
112 HG LEU 11 HG LEU 11 -0.785 -1.618 -3.860
113 1HD1 LEU 11 HD11 LEU 11 -3.130 -0.405 -3.355
114 2HD1 LEU 11 HD12 LEU 11 -2.774 -1.258 -4.857
115 3HD1 LEU 11 HD13 LEU 11 -2.619 0.498 -4.781
116 1HD2 LEU 11 HD21 LEU 11 0.840 -0.280 -4.772
117 2HD2 LEU 11 HD22 LEU 11 -0.024 1.212 -4.399
118 3HD2 LEU 11 HD23 LEU 11 -0.556 0.196 -5.739
119 H PHE 12 HN PHE 12 1.300 -1.309 -0.354
120 HA PHE 12 HA PHE 12 2.365 -3.317 -2.027
121 1HB PHE 12 HB2 PHE 12 3.794 -1.732 -0.821
122 2HB PHE 12 HB1 PHE 12 3.272 -2.412 0.717
123 HD1 PHE 12 HD1 PHE 12 4.320 -4.306 1.624
124 HD2 PHE 12 HD2 PHE 12 5.120 -3.163 -2.397
125 HE1 PHE 12 HE1 PHE 12 6.164 -5.933 1.532
126 HE2 PHE 12 HE2 PHE 12 6.965 -4.788 -2.496
127 HZ PHE 12 HZ PHE 12 7.489 -6.176 -0.530
128 H SER 13 HN SER 13 0.702 -3.402 1.059
129 HA SER 13 HA SER 13 1.273 -6.091 1.713
130 1HB SER 13 HB2 SER 13 0.038 -4.040 3.012
131 2HB SER 13 HB1 SER 13 -1.350 -5.035 2.571
132 HG SER 13 HG SER 13 0.952 -5.887 3.998
133 H LYS 14 HN LYS 14 -1.194 -4.562 -0.260
134 HA LYS 14 HA LYS 14 -2.839 -6.840 -0.593
135 1HB LYS 14 HB2 LYS 14 -2.457 -4.466 -2.431
136 2HB LYS 14 HB1 LYS 14 -3.772 -5.629 -2.528
137 1HG LYS 14 HG2 LYS 14 -4.672 -4.907 -0.448
138 2HG LYS 14 HG1 LYS 14 -3.251 -3.915 -0.113
139 1HD LYS 14 HD2 LYS 14 -3.809 -2.554 -2.123
140 2HD LYS 14 HD1 LYS 14 -5.301 -3.483 -2.283
141 1HE LYS 14 HE2 LYS 14 -6.053 -1.670 -1.095
142 2HE LYS 14 HE1 LYS 14 -5.645 -2.775 0.216
143 1HZ LYS 14 HZ1 LYS 14 -4.829 -0.440 0.482
144 2HZ LYS 14 HZ2 LYS 14 -3.769 -0.720 -0.806
145 3HZ LYS 14 HZ3 LYS 14 -3.632 -1.629 0.613
146 H ILE 15 HN ILE 15 0.005 -5.634 -2.264
147 HA ILE 15 HA ILE 15 -0.100 -7.409 -4.467
148 HB ILE 15 HB ILE 15 2.369 -6.185 -3.224
149 1HG1 ILE 15 HG12 ILE 15 0.594 -5.087 -5.416
150 2HG1 ILE 15 HG11 ILE 15 0.642 -4.490 -3.761
151 1HG2 ILE 15 HG21 ILE 15 2.857 -6.300 -5.871
152 2HG2 ILE 15 HG22 ILE 15 1.835 -7.724 -5.678
153 3HG2 ILE 15 HG23 ILE 15 3.316 -7.566 -4.733
154 1HD1 ILE 15 HD11 ILE 15 3.226 -4.260 -4.355
155 2HD1 ILE 15 HD12 ILE 15 2.046 -2.996 -4.702
156 3HD1 ILE 15 HD13 ILE 15 2.552 -4.104 -5.977
157 H TRP 16 HN TRP 16 1.016 -7.704 -1.181
158 HA TRP 16 HA TRP 16 2.598 -10.032 -1.518
159 1HB TRP 16 HB2 TRP 16 2.584 -8.434 0.474
160 2HB TRP 16 HB1 TRP 16 1.124 -9.264 1.001
161 HD1 TRP 16 HD1 TRP 16 1.626 -12.174 0.977
162 HE1 TRP 16 HE1 TRP 16 3.579 -13.322 2.199
163 HE3 TRP 16 HE3 TRP 16 4.774 -8.170 1.417
164 HZ2 TRP 16 HZ2 TRP 16 6.118 -12.622 3.214
165 HZ3 TRP 16 HZ3 TRP 16 6.946 -8.494 2.527
166 HH2 TRP 16 HH2 TRP 16 7.602 -10.674 3.407
167 H ASN 17 HN ASN 17 -0.818 -9.461 -0.932
168 HA ASN 17 HA ASN 17 -1.495 -12.156 -0.335
169 1HB ASN 17 HB2 ASN 17 -3.044 -9.710 -1.112
170 2HB ASN 17 HB1 ASN 17 -3.844 -11.279 -1.095
171 1HD2 ASN 17 HD21 ASN 17 -1.888 -9.113 0.894
172 2HD2 ASN 17 HD22 ASN 17 -2.602 -9.565 2.401
173 H TRP 18 HN TRP 18 -1.136 -10.329 -3.291
174 HA TRP 18 HA TRP 18 -2.367 -12.366 -4.929
175 1HB TRP 18 HB2 TRP 18 -1.927 -9.670 -5.256
176 2HB TRP 18 HB1 TRP 18 -0.697 -10.380 -6.297
177 HD1 TRP 18 HD1 TRP 18 -1.662 -12.120 -8.237
178 HE1 TRP 18 HE1 TRP 18 -3.865 -12.001 -9.562
179 HE3 TRP 18 HE3 TRP 18 -4.282 -8.973 -5.177
180 HZ2 TRP 18 HZ2 TRP 18 -6.380 -10.740 -9.340
181 HZ3 TRP 18 HZ3 TRP 18 -6.580 -8.359 -5.805
182 HH2 TRP 18 HH2 TRP 18 -7.606 -9.225 -7.845
183 H LYS 19 HN LYS 19 0.848 -11.415 -3.942
184 HA LYS 19 HA LYS 19 2.280 -12.920 -5.871
185 1HB LYS 19 HB2 LYS 19 3.196 -11.046 -4.443
186 2HB LYS 19 HB1 LYS 19 3.230 -12.183 -3.101
187 1HG LYS 19 HG2 LYS 19 4.533 -13.458 -5.235
188 2HG LYS 19 HG1 LYS 19 5.133 -11.799 -5.206
189 1HD LYS 19 HD2 LYS 19 4.934 -13.320 -2.646
190 2HD LYS 19 HD1 LYS 19 6.270 -13.662 -3.748
191 1HE LYS 19 HE2 LYS 19 6.901 -11.988 -2.087
192 2HE LYS 19 HE1 LYS 19 6.911 -11.309 -3.714
193 1HZ LYS 19 HZ1 LYS 19 4.510 -11.051 -2.031
194 2HZ LYS 19 HZ2 LYS 19 5.036 -10.064 -3.300
195 3HZ LYS 19 HZ3 LYS 19 5.815 -9.998 -1.800
196 1HN NH2 20 NH1 NH2 20 2.202 -15.038 -6.071
197 2HN NH2 20 NH2 NH2 20 2.107 -16.190 -4.787
Start of MODEL 12
1 1H ALA 1 HT1 ALA 1 -2.426 16.104 5.347
2 2H ALA 1 HT2 ALA 1 -2.217 17.181 6.667
3 3H ALA 1 HT3 ALA 1 -1.696 15.551 6.796
4 HA ALA 1 HA ALA 1 -0.638 17.337 4.739
5 1HB ALA 1 HB1 ALA 1 -0.088 17.349 7.645
6 2HB ALA 1 HB2 ALA 1 0.039 18.647 6.457
7 3HB ALA 1 HB3 ALA 1 1.307 17.426 6.568
8 H LYS 2 HN LYS 2 0.211 14.859 7.165
9 HA LYS 2 HA LYS 2 1.914 13.567 5.160
10 1HB LYS 2 HB2 LYS 2 2.447 14.167 7.755
11 2HB LYS 2 HB1 LYS 2 1.877 12.511 7.919
12 1HG LYS 2 HG2 LYS 2 3.580 12.220 5.855
13 2HG LYS 2 HG1 LYS 2 4.350 13.555 6.715
14 1HD LYS 2 HD2 LYS 2 4.107 12.134 8.813
15 2HD LYS 2 HD1 LYS 2 3.719 10.796 7.731
16 1HE LYS 2 HE2 LYS 2 6.095 10.821 8.348
17 2HE LYS 2 HE1 LYS 2 5.858 11.041 6.615
18 1HZ LYS 2 HZ1 LYS 2 6.061 13.431 8.296
19 2HZ LYS 2 HZ2 LYS 2 6.559 13.192 6.698
20 3HZ LYS 2 HZ3 LYS 2 7.479 12.566 7.971
21 H LYS 3 HN LYS 3 -0.571 13.152 4.441
22 HA LYS 3 HA LYS 3 -1.513 10.639 5.623
23 1HB LYS 3 HB2 LYS 3 -2.970 12.749 4.936
24 2HB LYS 3 HB1 LYS 3 -2.925 11.982 3.355
25 1HG LYS 3 HG2 LYS 3 -4.923 11.347 4.575
26 2HG LYS 3 HG1 LYS 3 -3.880 9.948 4.307
27 1HD LYS 3 HD2 LYS 3 -3.478 9.667 6.508
28 2HD LYS 3 HD1 LYS 3 -3.404 11.402 6.820
29 1HE LYS 3 HE2 LYS 3 -5.302 10.329 7.958
30 2HE LYS 3 HE1 LYS 3 -5.821 11.543 6.790
31 1HZ LYS 3 HZ1 LYS 3 -5.629 8.749 5.921
32 2HZ LYS 3 HZ2 LYS 3 -6.674 9.970 5.394
33 3HZ LYS 3 HZ3 LYS 3 -6.947 9.207 6.879
34 H VAL 4 HN VAL 4 0.896 10.513 4.238
35 HA VAL 4 HA VAL 4 0.546 9.532 1.583
36 HB VAL 4 HB VAL 4 2.769 10.210 2.391
37 1HG1 VAL 4 HG11 VAL 4 3.856 9.313 4.179
38 2HG1 VAL 4 HG12 VAL 4 3.084 7.738 4.000
39 3HG1 VAL 4 HG13 VAL 4 2.194 9.079 4.720
40 1HG2 VAL 4 HG21 VAL 4 2.742 7.258 1.779
41 2HG2 VAL 4 HG22 VAL 4 4.045 8.404 1.462
42 3HG2 VAL 4 HG23 VAL 4 2.527 8.526 0.572
43 H PHE 5 HN PHE 5 -0.251 8.464 4.642
44 HA PHE 5 HA PHE 5 -0.028 5.817 4.863
45 1HB PHE 5 HB2 PHE 5 -1.155 7.357 6.449
46 2HB PHE 5 HB1 PHE 5 -2.538 7.413 5.368
47 HD1 PHE 5 HD1 PHE 5 -3.989 5.459 5.097
48 HD2 PHE 5 HD2 PHE 5 -0.756 5.460 7.864
49 HE1 PHE 5 HE1 PHE 5 -4.953 3.493 6.218
50 HE2 PHE 5 HE2 PHE 5 -1.713 3.493 8.989
51 HZ PHE 5 HZ PHE 5 -3.815 2.507 8.167
52 H LYS 6 HN LYS 6 -2.029 7.486 2.638
53 HA LYS 6 HA LYS 6 -3.686 5.340 1.845
54 1HB LYS 6 HB2 LYS 6 -4.097 7.780 1.358
55 2HB LYS 6 HB1 LYS 6 -2.836 7.684 0.136
56 1HG LYS 6 HG2 LYS 6 -4.977 5.669 -0.058
57 2HG LYS 6 HG1 LYS 6 -5.443 7.340 -0.382
58 1HD LYS 6 HD2 LYS 6 -3.837 7.535 -2.127
59 2HD LYS 6 HD1 LYS 6 -3.079 6.004 -1.685
60 1HE LYS 6 HE2 LYS 6 -4.415 5.630 -3.631
61 2HE LYS 6 HE1 LYS 6 -5.219 4.862 -2.263
62 1HZ LYS 6 HZ1 LYS 6 -6.820 6.553 -2.175
63 2HZ LYS 6 HZ2 LYS 6 -6.663 6.198 -3.822
64 3HZ LYS 6 HZ3 LYS 6 -5.932 7.583 -3.183
65 H ARG 7 HN ARG 7 -0.692 6.670 0.457
66 HA ARG 7 HA ARG 7 -0.465 4.788 -1.626
67 1HB ARG 7 HB2 ARG 7 1.505 6.559 -0.207
68 2HB ARG 7 HB1 ARG 7 2.051 5.390 -1.402
69 1HG ARG 7 HG2 ARG 7 0.168 6.541 -2.858
70 2HG ARG 7 HG1 ARG 7 0.486 7.884 -1.758
71 1HD ARG 7 HD2 ARG 7 2.857 6.549 -2.897
72 2HD ARG 7 HD1 ARG 7 1.859 7.451 -4.036
73 HE ARG 7 HE ARG 7 2.463 8.936 -1.663
74 1HH1 ARG 7 HH11 ARG 7 3.666 8.002 -4.803
75 2HH1 ARG 7 HH12 ARG 7 4.715 9.372 -4.947
76 1HH2 ARG 7 HH21 ARG 7 3.842 10.739 -1.851
77 2HH2 ARG 7 HH22 ARG 7 4.815 10.926 -3.271
78 H LEU 8 HN LEU 8 0.457 4.749 1.751
79 HA LEU 8 HA LEU 8 2.106 2.452 1.661
80 1HB LEU 8 HB2 LEU 8 0.722 4.021 3.767
81 2HB LEU 8 HB1 LEU 8 1.173 2.377 4.178
82 HG LEU 8 HG LEU 8 3.514 3.193 3.179
83 1HD1 LEU 8 HD11 LEU 8 3.686 5.578 4.336
84 2HD1 LEU 8 HD12 LEU 8 1.998 5.652 3.833
85 3HD1 LEU 8 HD13 LEU 8 3.263 5.383 2.635
86 1HD2 LEU 8 HD21 LEU 8 4.246 3.003 5.302
87 2HD2 LEU 8 HD22 LEU 8 2.590 2.478 5.607
88 3HD2 LEU 8 HD23 LEU 8 3.059 4.147 5.928
89 H GLU 9 HN GLU 9 -1.351 2.957 1.998
90 HA GLU 9 HA GLU 9 -1.997 0.278 2.691
91 1HB GLU 9 HB2 GLU 9 -3.533 2.644 1.692
92 2HB GLU 9 HB1 GLU 9 -4.295 1.060 1.650
93 1HG GLU 9 HG2 GLU 9 -3.100 2.278 4.126
94 2HG GLU 9 HG1 GLU 9 -4.798 2.420 3.676
95 H LYS 10 HN LYS 10 -1.463 1.971 -0.317
96 HA LYS 10 HA LYS 10 -2.556 -0.037 -2.017
97 1HB LYS 10 HB2 LYS 10 -0.603 2.214 -2.511
98 2HB LYS 10 HB1 LYS 10 -1.155 1.133 -3.783
99 1HG LYS 10 HG2 LYS 10 -3.529 1.856 -2.933
100 2HG LYS 10 HG1 LYS 10 -2.639 3.250 -2.314
101 1HD LYS 10 HD2 LYS 10 -2.140 2.413 -5.122
102 2HD LYS 10 HD1 LYS 10 -3.671 3.212 -4.758
103 1HE LYS 10 HE2 LYS 10 -2.320 5.006 -5.281
104 2HE LYS 10 HE1 LYS 10 -2.163 4.940 -3.527
105 1HZ LYS 10 HZ1 LYS 10 -0.118 3.556 -3.934
106 2HZ LYS 10 HZ2 LYS 10 0.000 5.185 -4.374
107 3HZ LYS 10 HZ3 LYS 10 -0.227 4.003 -5.563
108 H LEU 11 HN LEU 11 0.635 0.638 -0.690
109 HA LEU 11 HA LEU 11 2.028 -1.330 -2.177
110 1HB LEU 11 HB2 LEU 11 3.192 0.495 -1.057
111 2HB LEU 11 HB1 LEU 11 2.650 -0.088 0.505
112 HG LEU 11 HG LEU 11 4.211 -1.999 -1.133
113 1HD1 LEU 11 HD11 LEU 11 5.612 0.231 0.317
114 2HD1 LEU 11 HD12 LEU 11 5.329 0.246 -1.423
115 3HD1 LEU 11 HD13 LEU 11 6.318 -1.023 -0.702
116 1HD2 LEU 11 HD21 LEU 11 5.282 -2.044 1.310
117 2HD2 LEU 11 HD22 LEU 11 3.807 -2.920 0.899
118 3HD2 LEU 11 HD23 LEU 11 3.708 -1.358 1.712
119 H PHE 12 HN PHE 12 0.174 -1.383 0.793
120 HA PHE 12 HA PHE 12 1.024 -3.949 1.668
121 1HB PHE 12 HB2 PHE 12 -0.630 -1.913 2.663
122 2HB PHE 12 HB1 PHE 12 -1.684 -3.311 2.479
123 HD1 PHE 12 HD1 PHE 12 -1.558 -5.137 3.960
124 HD2 PHE 12 HD2 PHE 12 1.423 -2.102 4.066
125 HE1 PHE 12 HE1 PHE 12 -0.689 -6.069 6.066
126 HE2 PHE 12 HE2 PHE 12 2.298 -3.028 6.171
127 HZ PHE 12 HZ PHE 12 1.241 -5.014 7.173
128 H SER 13 HN SER 13 -1.478 -2.790 -0.495
129 HA SER 13 HA SER 13 -2.903 -5.227 -0.725
130 1HB SER 13 HB2 SER 13 -2.665 -2.852 -2.585
131 2HB SER 13 HB1 SER 13 -3.746 -4.213 -2.882
132 HG SER 13 HG SER 13 -5.038 -3.542 -1.337
133 H LYS 14 HN LYS 14 -0.041 -3.930 -2.257
134 HA LYS 14 HA LYS 14 0.114 -5.773 -4.397
135 1HB LYS 14 HB2 LYS 14 2.058 -3.956 -3.025
136 2HB LYS 14 HB1 LYS 14 2.665 -5.169 -4.144
137 1HG LYS 14 HG2 LYS 14 0.933 -4.198 -5.787
138 2HG LYS 14 HG1 LYS 14 0.903 -2.816 -4.690
139 1HD LYS 14 HD2 LYS 14 2.943 -2.109 -5.329
140 2HD LYS 14 HD1 LYS 14 3.591 -3.748 -5.419
141 1HE LYS 14 HE2 LYS 14 1.622 -3.268 -7.485
142 2HE LYS 14 HE1 LYS 14 2.929 -2.086 -7.552
143 1HZ LYS 14 HZ1 LYS 14 4.417 -3.638 -8.162
144 2HZ LYS 14 HZ2 LYS 14 3.052 -4.485 -8.691
145 3HZ LYS 14 HZ3 LYS 14 3.743 -4.849 -7.191
146 H ILE 15 HN ILE 15 1.066 -5.888 -1.034
147 HA ILE 15 HA ILE 15 2.740 -8.165 -1.191
148 HB ILE 15 HB ILE 15 1.082 -7.299 1.181
149 1HG1 ILE 15 HG12 ILE 15 3.875 -6.448 0.381
150 2HG1 ILE 15 HG11 ILE 15 2.438 -5.432 0.319
151 1HG2 ILE 15 HG21 ILE 15 3.376 -8.298 2.190
152 2HG2 ILE 15 HG22 ILE 15 3.200 -9.295 0.746
153 3HG2 ILE 15 HG23 ILE 15 1.910 -9.248 1.948
154 1HD1 ILE 15 HD11 ILE 15 2.966 -4.757 2.360
155 2HD1 ILE 15 HD12 ILE 15 4.195 -6.011 2.528
156 3HD1 ILE 15 HD13 ILE 15 2.514 -6.364 2.928
157 H TRP 16 HN TRP 16 -0.723 -7.722 -0.911
158 HA TRP 16 HA TRP 16 -1.374 -10.389 -0.211
159 1HB TRP 16 HB2 TRP 16 -2.812 -8.142 -0.273
160 2HB TRP 16 HB1 TRP 16 -3.270 -8.775 -1.851
161 HD1 TRP 16 HD1 TRP 16 -3.541 -9.595 1.891
162 HE1 TRP 16 HE1 TRP 16 -5.448 -11.293 2.215
163 HE3 TRP 16 HE3 TRP 16 -4.606 -10.569 -3.014
164 HZ2 TRP 16 HZ2 TRP 16 -7.175 -12.841 0.606
165 HZ3 TRP 16 HZ3 TRP 16 -6.399 -12.171 -3.536
166 HH2 TRP 16 HH2 TRP 16 -7.656 -13.283 -1.762
167 H ASN 17 HN ASN 17 -0.751 -8.758 -3.241
168 HA ASN 17 HA ASN 17 -1.755 -10.800 -4.943
169 1HB ASN 17 HB2 ASN 17 0.236 -8.574 -5.410
170 2HB ASN 17 HB1 ASN 17 -0.322 -9.656 -6.682
171 1HD2 ASN 17 HD21 ASN 17 -2.654 -9.721 -7.068
172 2HD2 ASN 17 HD22 ASN 17 -3.567 -8.269 -6.861
173 H TRP 18 HN TRP 18 1.270 -10.268 -3.291
174 HA TRP 18 HA TRP 18 2.751 -12.216 -4.786
175 1HB TRP 18 HB2 TRP 18 3.245 -10.575 -2.336
176 2HB TRP 18 HB1 TRP 18 4.271 -11.974 -2.637
177 HD1 TRP 18 HD1 TRP 18 2.971 -9.306 -5.144
178 HE1 TRP 18 HE1 TRP 18 5.009 -8.310 -6.361
179 HE3 TRP 18 HE3 TRP 18 6.689 -11.811 -2.686
180 HZ2 TRP 18 HZ2 TRP 18 7.820 -8.554 -6.288
181 HZ3 TRP 18 HZ3 TRP 18 9.026 -11.372 -3.320
182 HH2 TRP 18 HH2 TRP 18 9.578 -9.777 -5.085
183 H LYS 19 HN LYS 19 0.943 -12.176 -1.763
184 HA LYS 19 HA LYS 19 1.691 -14.901 -1.125
185 1HB LYS 19 HB2 LYS 19 0.759 -12.699 0.344
186 2HB LYS 19 HB1 LYS 19 -0.535 -13.886 0.419
187 1HG LYS 19 HG2 LYS 19 1.282 -15.556 1.086
188 2HG LYS 19 HG1 LYS 19 2.295 -14.139 1.368
189 1HD LYS 19 HD2 LYS 19 -0.388 -14.003 2.561
190 2HD LYS 19 HD1 LYS 19 0.657 -15.261 3.223
191 1HE LYS 19 HE2 LYS 19 2.419 -13.308 3.270
192 2HE LYS 19 HE1 LYS 19 0.973 -12.299 3.277
193 1HZ LYS 19 HZ1 LYS 19 0.995 -14.512 5.161
194 2HZ LYS 19 HZ2 LYS 19 0.439 -12.926 5.358
195 3HZ LYS 19 HZ3 LYS 19 2.092 -13.263 5.480
196 1HN NH2 20 NH1 NH2 20 -1.462 -13.301 -1.503
197 2HN NH2 20 NH2 NH2 20 -2.251 -14.643 -2.253
Start of MODEL 13
1 1H ALA 1 HT1 ALA 1 -4.442 17.458 5.265
2 2H ALA 1 HT2 ALA 1 -4.510 16.206 4.092
3 3H ALA 1 HT3 ALA 1 -3.631 17.644 3.767
4 HA ALA 1 HA ALA 1 -2.057 17.150 5.410
5 1HB ALA 1 HB1 ALA 1 -2.215 14.949 6.615
6 2HB ALA 1 HB2 ALA 1 -3.878 14.838 6.040
7 3HB ALA 1 HB3 ALA 1 -3.398 16.163 7.101
8 H LYS 2 HN LYS 2 -0.218 15.989 4.860
9 HA LYS 2 HA LYS 2 -0.411 14.558 2.318
10 1HB LYS 2 HB2 LYS 2 2.058 14.842 2.248
11 2HB LYS 2 HB1 LYS 2 1.186 16.365 2.355
12 1HG LYS 2 HG2 LYS 2 1.985 15.204 4.932
13 2HG LYS 2 HG1 LYS 2 3.312 15.710 3.884
14 1HD LYS 2 HD2 LYS 2 1.735 17.854 3.633
15 2HD LYS 2 HD1 LYS 2 1.231 17.326 5.240
16 1HE LYS 2 HE2 LYS 2 3.225 17.837 6.180
17 2HE LYS 2 HE1 LYS 2 4.139 17.380 4.743
18 1HZ LYS 2 HZ1 LYS 2 3.808 19.893 5.527
19 2HZ LYS 2 HZ2 LYS 2 2.475 19.750 4.496
20 3HZ LYS 2 HZ3 LYS 2 4.033 19.454 3.908
21 H LYS 3 HN LYS 3 -1.411 13.047 4.324
22 HA LYS 3 HA LYS 3 0.747 11.147 4.995
23 1HB LYS 3 HB2 LYS 3 -0.969 10.248 6.652
24 2HB LYS 3 HB1 LYS 3 -0.292 11.831 7.009
25 1HG LYS 3 HG2 LYS 3 -2.299 12.893 6.105
26 2HG LYS 3 HG1 LYS 3 -2.978 11.303 5.753
27 1HD LYS 3 HD2 LYS 3 -2.547 10.866 8.286
28 2HD LYS 3 HD1 LYS 3 -2.510 12.627 8.394
29 1HE LYS 3 HE2 LYS 3 -4.728 12.833 7.975
30 2HE LYS 3 HE1 LYS 3 -4.760 11.447 6.886
31 1HZ LYS 3 HZ1 LYS 3 -5.961 11.226 9.094
32 2HZ LYS 3 HZ2 LYS 3 -4.430 11.116 9.805
33 3HZ LYS 3 HZ3 LYS 3 -4.917 9.966 8.664
34 H VAL 4 HN VAL 4 -0.308 11.221 2.421
35 HA VAL 4 HA VAL 4 -2.273 9.193 2.021
36 HB VAL 4 HB VAL 4 -1.733 10.778 0.224
37 1HG1 VAL 4 HG11 VAL 4 0.551 9.985 -0.993
38 2HG1 VAL 4 HG12 VAL 4 0.989 9.776 0.703
39 3HG1 VAL 4 HG13 VAL 4 0.440 11.348 0.120
40 1HG2 VAL 4 HG21 VAL 4 -1.673 9.236 -1.613
41 2HG2 VAL 4 HG22 VAL 4 -2.607 8.507 -0.306
42 3HG2 VAL 4 HG23 VAL 4 -0.948 7.986 -0.601
43 H PHE 5 HN PHE 5 0.890 9.264 3.074
44 HA PHE 5 HA PHE 5 2.242 7.113 2.224
45 1HB PHE 5 HB2 PHE 5 2.955 8.787 3.929
46 2HB PHE 5 HB1 PHE 5 1.939 7.966 5.102
47 HD1 PHE 5 HD1 PHE 5 4.517 6.943 2.593
48 HD2 PHE 5 HD2 PHE 5 3.095 6.674 6.595
49 HE1 PHE 5 HE1 PHE 5 6.382 5.438 3.151
50 HE2 PHE 5 HE2 PHE 5 4.957 5.169 7.161
51 HZ PHE 5 HZ PHE 5 6.604 4.549 5.438
52 H LYS 6 HN LYS 6 -0.576 7.110 4.162
53 HA LYS 6 HA LYS 6 -0.428 4.458 5.137
54 1HB LYS 6 HB2 LYS 6 -2.018 6.499 5.760
55 2HB LYS 6 HB1 LYS 6 -3.081 5.713 4.601
56 1HG LYS 6 HG2 LYS 6 -2.801 3.601 5.932
57 2HG LYS 6 HG1 LYS 6 -1.982 4.574 7.156
58 1HD LYS 6 HD2 LYS 6 -4.046 4.828 8.011
59 2HD LYS 6 HD1 LYS 6 -4.235 6.035 6.737
60 1HE LYS 6 HE2 LYS 6 -6.122 4.465 6.810
61 2HE LYS 6 HE1 LYS 6 -5.247 4.380 5.282
62 1HZ LYS 6 HZ1 LYS 6 -4.368 2.544 7.354
63 2HZ LYS 6 HZ2 LYS 6 -4.559 2.291 5.692
64 3HZ LYS 6 HZ3 LYS 6 -5.906 2.244 6.714
65 H ARG 7 HN ARG 7 -1.959 5.905 2.288
66 HA ARG 7 HA ARG 7 -3.153 3.552 1.310
67 1HB ARG 7 HB2 ARG 7 -2.531 6.230 0.264
68 2HB ARG 7 HB1 ARG 7 -2.568 4.968 -0.960
69 1HG ARG 7 HG2 ARG 7 -4.751 5.528 -1.017
70 2HG ARG 7 HG1 ARG 7 -4.834 4.373 0.315
71 1HD ARG 7 HD2 ARG 7 -5.941 6.143 1.249
72 2HD ARG 7 HD1 ARG 7 -4.292 6.507 1.757
73 HE ARG 7 HE ARG 7 -4.444 8.425 0.548
74 1HH1 ARG 7 HH11 ARG 7 -6.658 6.108 -0.834
75 2HH1 ARG 7 HH12 ARG 7 -7.268 7.212 -2.021
76 1HH2 ARG 7 HH21 ARG 7 -5.245 9.878 -1.012
77 2HH2 ARG 7 HH22 ARG 7 -6.465 9.351 -2.123
78 H LEU 8 HN LEU 8 0.082 4.871 1.054
79 HA LEU 8 HA LEU 8 1.038 3.182 -0.992
80 1HB LEU 8 HB2 LEU 8 2.363 4.721 1.221
81 2HB LEU 8 HB1 LEU 8 3.300 3.666 0.180
82 HG LEU 8 HG LEU 8 1.557 5.631 -1.187
83 1HD1 LEU 8 HD11 LEU 8 2.272 7.261 0.230
84 2HD1 LEU 8 HD12 LEU 8 3.645 7.229 -0.876
85 3HD1 LEU 8 HD13 LEU 8 3.740 6.390 0.673
86 1HD2 LEU 8 HD21 LEU 8 3.958 5.819 -2.337
87 2HD2 LEU 8 HD22 LEU 8 2.807 4.543 -2.733
88 3HD2 LEU 8 HD23 LEU 8 4.125 4.222 -1.607
89 H GLU 9 HN GLU 9 0.838 2.836 2.513
90 HA GLU 9 HA GLU 9 2.299 0.399 2.640
91 1HB GLU 9 HB2 GLU 9 0.523 1.926 4.489
92 2HB GLU 9 HB1 GLU 9 0.830 0.234 4.855
93 1HG GLU 9 HG2 GLU 9 3.135 2.020 4.263
94 2HG GLU 9 HG1 GLU 9 2.345 2.128 5.835
95 H LYS 10 HN LYS 10 -1.027 1.244 2.020
96 HA LYS 10 HA LYS 10 -2.103 -1.372 2.355
97 1HB LYS 10 HB2 LYS 10 -3.048 1.234 1.339
98 2HB LYS 10 HB1 LYS 10 -3.827 -0.169 0.620
99 1HG LYS 10 HG2 LYS 10 -3.589 -0.182 3.559
100 2HG LYS 10 HG1 LYS 10 -4.683 1.015 2.863
101 1HD LYS 10 HD2 LYS 10 -5.831 -0.772 1.628
102 2HD LYS 10 HD1 LYS 10 -4.749 -1.960 2.357
103 1HE LYS 10 HE2 LYS 10 -6.342 -2.155 3.921
104 2HE LYS 10 HE1 LYS 10 -5.688 -0.645 4.552
105 1HZ LYS 10 HZ1 LYS 10 -8.238 -0.962 3.940
106 2HZ LYS 10 HZ2 LYS 10 -7.679 -0.420 2.439
107 3HZ LYS 10 HZ3 LYS 10 -7.452 0.532 3.818
108 H LEU 11 HN LEU 11 -0.633 0.397 -0.288
109 HA LEU 11 HA LEU 11 -1.360 -1.399 -2.357
110 1HB LEU 11 HB2 LEU 11 -0.516 0.957 -2.649
111 2HB LEU 11 HB1 LEU 11 1.087 0.364 -2.257
112 HG LEU 11 HG LEU 11 -0.330 -1.022 -4.460
113 1HD1 LEU 11 HD11 LEU 11 0.631 1.819 -4.622
114 2HD1 LEU 11 HD12 LEU 11 -0.926 1.156 -5.118
115 3HD1 LEU 11 HD13 LEU 11 0.530 0.770 -6.036
116 1HD2 LEU 11 HD21 LEU 11 2.139 -0.507 -5.341
117 2HD2 LEU 11 HD22 LEU 11 1.762 -1.873 -4.291
118 3HD2 LEU 11 HD23 LEU 11 2.430 -0.392 -3.605
119 H PHE 12 HN PHE 12 1.318 -1.254 -0.081
120 HA PHE 12 HA PHE 12 2.875 -3.292 -1.305
121 1HB PHE 12 HB2 PHE 12 3.331 -1.514 0.704
122 2HB PHE 12 HB1 PHE 12 3.076 -2.990 1.629
123 HD1 PHE 12 HD1 PHE 12 4.869 -4.376 2.019
124 HD2 PHE 12 HD2 PHE 12 4.982 -1.741 -1.320
125 HE1 PHE 12 HE1 PHE 12 7.186 -5.065 1.560
126 HE2 PHE 12 HE2 PHE 12 7.299 -2.425 -1.787
127 HZ PHE 12 HZ PHE 12 8.404 -4.089 -0.346
128 H SER 13 HN SER 13 0.300 -3.265 1.083
129 HA SER 13 HA SER 13 0.525 -5.987 1.844
130 1HB SER 13 HB2 SER 13 -1.607 -5.704 2.907
131 2HB SER 13 HB1 SER 13 -0.735 -4.184 3.104
132 HG SER 13 HG SER 13 -2.765 -4.763 1.208
133 H LYS 14 HN LYS 14 -1.001 -4.317 -0.809
134 HA LYS 14 HA LYS 14 -2.695 -6.423 -1.659
135 1HB LYS 14 HB2 LYS 14 -2.932 -4.052 -2.381
136 2HB LYS 14 HB1 LYS 14 -1.458 -4.220 -3.324
137 1HG LYS 14 HG2 LYS 14 -2.761 -6.231 -4.400
138 2HG LYS 14 HG1 LYS 14 -4.167 -5.336 -3.820
139 1HD LYS 14 HD2 LYS 14 -1.988 -4.211 -5.580
140 2HD LYS 14 HD1 LYS 14 -3.570 -4.756 -6.141
141 1HE LYS 14 HE2 LYS 14 -4.591 -3.083 -4.571
142 2HE LYS 14 HE1 LYS 14 -2.966 -2.459 -4.288
143 1HZ LYS 14 HZ1 LYS 14 -3.016 -2.403 -6.927
144 2HZ LYS 14 HZ2 LYS 14 -3.559 -1.110 -5.981
145 3HZ LYS 14 HZ3 LYS 14 -4.671 -2.204 -6.636
146 H ILE 15 HN ILE 15 0.675 -5.632 -2.206
147 HA ILE 15 HA ILE 15 1.127 -7.407 -4.364
148 HB ILE 15 HB ILE 15 3.133 -6.526 -2.288
149 1HG1 ILE 15 HG12 ILE 15 1.785 -4.676 -3.439
150 2HG1 ILE 15 HG11 ILE 15 3.536 -4.567 -3.540
151 1HG2 ILE 15 HG21 ILE 15 3.826 -8.384 -3.762
152 2HG2 ILE 15 HG22 ILE 15 4.790 -6.926 -3.993
153 3HG2 ILE 15 HG23 ILE 15 3.537 -7.348 -5.160
154 1HD1 ILE 15 HD11 ILE 15 2.433 -6.041 -5.766
155 2HD1 ILE 15 HD12 ILE 15 3.484 -4.624 -5.755
156 3HD1 ILE 15 HD13 ILE 15 1.736 -4.427 -5.632
157 H TRP 16 HN TRP 16 1.107 -7.790 -0.879
158 HA TRP 16 HA TRP 16 2.318 -10.357 -0.814
159 1HB TRP 16 HB2 TRP 16 1.295 -8.495 1.072
160 2HB TRP 16 HB1 TRP 16 0.489 -10.032 1.369
161 HD1 TRP 16 HD1 TRP 16 4.050 -8.547 1.185
162 HE1 TRP 16 HE1 TRP 16 5.598 -9.997 2.645
163 HE3 TRP 16 HE3 TRP 16 0.750 -12.242 2.450
164 HZ2 TRP 16 HZ2 TRP 16 5.440 -12.389 4.135
165 HZ3 TRP 16 HZ3 TRP 16 1.528 -14.074 3.895
166 HH2 TRP 16 HH2 TRP 16 3.825 -14.145 4.719
167 H ASN 17 HN ASN 17 -0.928 -9.209 -1.358
168 HA ASN 17 HA ASN 17 -2.227 -11.722 -0.982
169 1HB ASN 17 HB2 ASN 17 -3.149 -9.209 -1.105
170 2HB ASN 17 HB1 ASN 17 -3.430 -9.679 -2.779
171 1HD2 ASN 17 HD21 ASN 17 -5.622 -9.731 -2.685
172 2HD2 ASN 17 HD22 ASN 17 -6.514 -10.872 -1.742
173 H TRP 18 HN TRP 18 -0.668 -10.108 -3.660
174 HA TRP 18 HA TRP 18 -1.686 -11.939 -5.642
175 1HB TRP 18 HB2 TRP 18 -1.017 -9.514 -6.059
176 2HB TRP 18 HB1 TRP 18 0.653 -10.061 -5.964
177 HD1 TRP 18 HD1 TRP 18 -2.440 -10.255 -8.202
178 HE1 TRP 18 HE1 TRP 18 -1.728 -11.114 -10.521
179 HE3 TRP 18 HE3 TRP 18 2.412 -11.484 -7.158
180 HZ2 TRP 18 HZ2 TRP 18 0.585 -12.172 -11.746
181 HZ3 TRP 18 HZ3 TRP 18 3.806 -12.414 -8.959
182 HH2 TRP 18 HH2 TRP 18 2.910 -12.751 -11.205
183 H LYS 19 HN LYS 19 1.140 -11.656 -3.616
184 HA LYS 19 HA LYS 19 2.801 -13.468 -5.024
185 1HB LYS 19 HB2 LYS 19 3.263 -11.762 -3.024
186 2HB LYS 19 HB1 LYS 19 3.045 -13.221 -2.068
187 1HG LYS 19 HG2 LYS 19 4.826 -14.322 -3.276
188 2HG LYS 19 HG1 LYS 19 5.009 -12.918 -4.330
189 1HD LYS 19 HD2 LYS 19 6.723 -12.750 -2.708
190 2HD LYS 19 HD1 LYS 19 5.491 -11.576 -2.241
191 1HE LYS 19 HE2 LYS 19 4.595 -13.177 -0.615
192 2HE LYS 19 HE1 LYS 19 5.841 -14.336 -1.075
193 1HZ LYS 19 HZ1 LYS 19 6.730 -13.345 0.787
194 2HZ LYS 19 HZ2 LYS 19 6.120 -11.812 0.414
195 3HZ LYS 19 HZ3 LYS 19 7.438 -12.430 -0.448
196 1HN NH2 20 NH1 NH2 20 1.665 -15.310 -5.533
197 2HN NH2 20 NH2 NH2 20 1.174 -16.478 -4.359
Start of MODEL 14
1 1H ALA 1 HT1 ALA 1 -4.020 12.122 8.261
2 2H ALA 1 HT2 ALA 1 -2.982 12.365 9.606
3 3H ALA 1 HT3 ALA 1 -2.450 11.435 8.265
4 HA ALA 1 HA ALA 1 -2.861 14.321 8.486
5 1HB ALA 1 HB1 ALA 1 -0.651 12.820 8.809
6 2HB ALA 1 HB2 ALA 1 -0.629 14.477 8.204
7 3HB ALA 1 HB3 ALA 1 -0.568 13.124 7.074
8 H LYS 2 HN LYS 2 -1.825 15.205 6.223
9 HA LYS 2 HA LYS 2 -3.771 14.344 4.223
10 1HB LYS 2 HB2 LYS 2 -3.262 16.437 3.083
11 2HB LYS 2 HB1 LYS 2 -3.649 16.738 4.771
12 1HG LYS 2 HG2 LYS 2 -1.014 16.558 5.014
13 2HG LYS 2 HG1 LYS 2 -1.086 17.058 3.323
14 1HD LYS 2 HD2 LYS 2 -1.752 19.142 3.843
15 2HD LYS 2 HD1 LYS 2 -2.843 18.579 5.111
16 1HE LYS 2 HE2 LYS 2 0.153 18.844 5.346
17 2HE LYS 2 HE1 LYS 2 -1.036 19.959 6.019
18 1HZ LYS 2 HZ1 LYS 2 -0.251 17.305 6.932
19 2HZ LYS 2 HZ2 LYS 2 -1.889 17.701 7.085
20 3HZ LYS 2 HZ3 LYS 2 -0.713 18.665 7.826
21 H LYS 3 HN LYS 3 -1.832 12.480 4.530
22 HA LYS 3 HA LYS 3 -0.783 12.238 1.906
23 1HB LYS 3 HB2 LYS 3 0.814 13.879 3.232
24 2HB LYS 3 HB1 LYS 3 1.423 12.383 3.928
25 1HG LYS 3 HG2 LYS 3 1.213 12.163 1.064
26 2HG LYS 3 HG1 LYS 3 2.180 13.566 1.521
27 1HD LYS 3 HD2 LYS 3 2.608 10.728 2.455
28 2HD LYS 3 HD1 LYS 3 3.583 11.588 1.262
29 1HE LYS 3 HE2 LYS 3 4.782 12.600 2.846
30 2HE LYS 3 HE1 LYS 3 3.336 13.084 3.730
31 1HZ LYS 3 HZ1 LYS 3 4.799 11.619 5.021
32 2HZ LYS 3 HZ2 LYS 3 4.585 10.394 3.875
33 3HZ LYS 3 HZ3 LYS 3 3.268 10.939 4.785
34 H VAL 4 HN VAL 4 -2.392 10.747 3.633
35 HA VAL 4 HA VAL 4 -0.976 8.546 4.762
36 HB VAL 4 HB VAL 4 -3.796 8.515 3.657
37 1HG1 VAL 4 HG11 VAL 4 -2.460 6.830 5.773
38 2HG1 VAL 4 HG12 VAL 4 -2.867 6.312 4.137
39 3HG1 VAL 4 HG13 VAL 4 -4.149 6.718 5.278
40 1HG2 VAL 4 HG21 VAL 4 -2.681 9.698 6.136
41 2HG2 VAL 4 HG22 VAL 4 -4.208 8.826 6.269
42 3HG2 VAL 4 HG23 VAL 4 -4.067 10.194 5.165
43 H PHE 5 HN PHE 5 -1.556 9.662 1.675
44 HA PHE 5 HA PHE 5 -1.914 7.639 -0.039
45 1HB PHE 5 HB2 PHE 5 -1.588 10.050 -0.576
46 2HB PHE 5 HB1 PHE 5 0.137 9.834 -0.323
47 HD1 PHE 5 HD1 PHE 5 1.098 10.175 -2.407
48 HD2 PHE 5 HD2 PHE 5 -2.289 7.619 -2.073
49 HE1 PHE 5 HE1 PHE 5 1.362 9.523 -4.764
50 HE2 PHE 5 HE2 PHE 5 -2.030 6.962 -4.430
51 HZ PHE 5 HZ PHE 5 -0.202 7.914 -5.779
52 H LYS 6 HN LYS 6 0.882 8.215 1.852
53 HA LYS 6 HA LYS 6 2.651 6.483 0.451
54 1HB LYS 6 HB2 LYS 6 2.911 8.296 2.532
55 2HB LYS 6 HB1 LYS 6 3.194 6.746 3.312
56 1HG LYS 6 HG2 LYS 6 4.639 7.706 0.852
57 2HG LYS 6 HG1 LYS 6 5.253 7.847 2.500
58 1HD LYS 6 HD2 LYS 6 4.828 5.281 2.592
59 2HD LYS 6 HD1 LYS 6 4.844 5.398 0.831
60 1HE LYS 6 HE2 LYS 6 7.060 5.113 1.059
61 2HE LYS 6 HE1 LYS 6 7.059 6.828 1.468
62 1HZ LYS 6 HZ1 LYS 6 7.483 4.517 3.172
63 2HZ LYS 6 HZ2 LYS 6 6.544 5.753 3.844
64 3HZ LYS 6 HZ3 LYS 6 8.109 6.085 3.295
65 H ARG 7 HN ARG 7 0.577 6.109 3.293
66 HA ARG 7 HA ARG 7 1.263 3.454 3.895
67 1HB ARG 7 HB2 ARG 7 -1.088 5.209 4.468
68 2HB ARG 7 HB1 ARG 7 -1.233 3.484 4.778
69 1HG ARG 7 HG2 ARG 7 -0.035 3.623 6.643
70 2HG ARG 7 HG1 ARG 7 1.229 4.566 5.851
71 1HD ARG 7 HD2 ARG 7 0.459 6.063 7.423
72 2HD ARG 7 HD1 ARG 7 -0.507 6.505 6.016
73 HE ARG 7 HE ARG 7 -1.974 4.618 7.397
74 1HH1 ARG 7 HH11 ARG 7 -0.680 7.797 8.028
75 2HH1 ARG 7 HH12 ARG 7 -1.932 8.221 9.147
76 1HH2 ARG 7 HH21 ARG 7 -3.622 5.174 8.867
77 2HH2 ARG 7 HH22 ARG 7 -3.602 6.732 9.624
78 H LEU 8 HN LEU 8 -0.825 4.871 1.490
79 HA LEU 8 HA LEU 8 -2.333 2.589 0.820
80 1HB LEU 8 HB2 LEU 8 -2.412 5.159 0.056
81 2HB LEU 8 HB1 LEU 8 -1.566 4.490 -1.326
82 HG LEU 8 HG LEU 8 -3.889 2.892 -0.662
83 1HD1 LEU 8 HD11 LEU 8 -5.548 4.605 -1.422
84 2HD1 LEU 8 HD12 LEU 8 -4.306 5.831 -1.163
85 3HD1 LEU 8 HD13 LEU 8 -4.895 4.871 0.194
86 1HD2 LEU 8 HD21 LEU 8 -2.397 3.381 -2.853
87 2HD2 LEU 8 HD22 LEU 8 -3.772 4.441 -3.163
88 3HD2 LEU 8 HD23 LEU 8 -4.029 2.716 -2.904
89 H GLU 9 HN GLU 9 0.851 3.728 -0.168
90 HA GLU 9 HA GLU 9 1.226 1.863 -2.269
91 1HB GLU 9 HB2 GLU 9 2.921 3.737 -0.733
92 2HB GLU 9 HB1 GLU 9 3.762 2.362 -1.436
93 1HG GLU 9 HG2 GLU 9 2.715 2.976 -3.633
94 2HG GLU 9 HG1 GLU 9 2.156 4.462 -2.864
95 H LYS 10 HN LYS 10 1.817 1.765 1.195
96 HA LYS 10 HA LYS 10 3.267 -0.674 1.202
97 1HB LYS 10 HB2 LYS 10 1.990 1.076 3.212
98 2HB LYS 10 HB1 LYS 10 2.107 -0.619 3.665
99 1HG LYS 10 HG2 LYS 10 4.451 1.004 2.711
100 2HG LYS 10 HG1 LYS 10 4.008 0.826 4.410
101 1HD LYS 10 HD2 LYS 10 4.023 -1.761 3.637
102 2HD LYS 10 HD1 LYS 10 5.255 -1.102 2.559
103 1HE LYS 10 HE2 LYS 10 6.614 -0.425 4.331
104 2HE LYS 10 HE1 LYS 10 5.292 -0.500 5.495
105 1HZ LYS 10 HZ1 LYS 10 6.935 -2.671 4.407
106 2HZ LYS 10 HZ2 LYS 10 5.341 -3.015 4.853
107 3HZ LYS 10 HZ3 LYS 10 6.424 -2.400 5.997
108 H LEU 11 HN LEU 11 -0.122 0.160 1.208
109 HA LEU 11 HA LEU 11 -1.148 -2.369 1.940
110 1HB LEU 11 HB2 LEU 11 -2.200 0.136 1.344
111 2HB LEU 11 HB1 LEU 11 -2.821 -0.894 0.068
112 HG LEU 11 HG LEU 11 -4.436 -0.842 1.827
113 1HD1 LEU 11 HD11 LEU 11 -3.500 -3.122 0.758
114 2HD1 LEU 11 HD12 LEU 11 -4.865 -3.054 1.873
115 3HD1 LEU 11 HD13 LEU 11 -3.257 -3.465 2.471
116 1HD2 LEU 11 HD21 LEU 11 -2.404 -0.367 3.520
117 2HD2 LEU 11 HD22 LEU 11 -2.695 -2.072 3.865
118 3HD2 LEU 11 HD23 LEU 11 -4.002 -0.900 4.042
119 H PHE 12 HN PHE 12 -0.035 -0.990 -1.079
120 HA PHE 12 HA PHE 12 -1.125 -2.934 -2.816
121 1HB PHE 12 HB2 PHE 12 -0.124 -0.688 -3.463
122 2HB PHE 12 HB1 PHE 12 1.458 -1.431 -3.257
123 HD1 PHE 12 HD1 PHE 12 2.171 -3.256 -4.752
124 HD2 PHE 12 HD2 PHE 12 -1.462 -1.129 -5.375
125 HE1 PHE 12 HE1 PHE 12 2.074 -4.105 -7.059
126 HE2 PHE 12 HE2 PHE 12 -1.566 -1.975 -7.683
127 HZ PHE 12 HZ PHE 12 0.204 -3.465 -8.528
128 H SER 13 HN SER 13 1.783 -2.814 -0.862
129 HA SER 13 HA SER 13 3.104 -5.024 -2.031
130 1HB SER 13 HB2 SER 13 4.225 -3.380 -0.544
131 2HB SER 13 HB1 SER 13 3.304 -4.015 0.819
132 HG SER 13 HG SER 13 5.579 -4.942 -0.245
133 H LYS 14 HN LYS 14 0.668 -4.718 0.476
134 HA LYS 14 HA LYS 14 0.795 -7.377 1.429
135 1HB LYS 14 HB2 LYS 14 -0.986 -5.069 1.732
136 2HB LYS 14 HB1 LYS 14 -1.826 -6.611 1.814
137 1HG LYS 14 HG2 LYS 14 0.633 -6.500 3.396
138 2HG LYS 14 HG1 LYS 14 -0.619 -5.367 3.909
139 1HD LYS 14 HD2 LYS 14 -2.222 -7.333 3.847
140 2HD LYS 14 HD1 LYS 14 -0.798 -8.363 3.685
141 1HE LYS 14 HE2 LYS 14 -0.028 -6.903 5.786
142 2HE LYS 14 HE1 LYS 14 -1.775 -6.813 6.012
143 1HZ LYS 14 HZ1 LYS 14 -0.888 -8.689 7.200
144 2HZ LYS 14 HZ2 LYS 14 -0.154 -9.293 5.801
145 3HZ LYS 14 HZ3 LYS 14 -1.841 -9.251 5.919
146 H ILE 15 HN ILE 15 -0.888 -5.841 -1.237
147 HA ILE 15 HA ILE 15 -2.610 -7.997 -1.867
148 HB ILE 15 HB ILE 15 -1.510 -5.935 -3.778
149 1HG1 ILE 15 HG12 ILE 15 -2.581 -5.045 -1.628
150 2HG1 ILE 15 HG11 ILE 15 -3.239 -4.458 -3.148
151 1HG2 ILE 15 HG21 ILE 15 -2.632 -7.248 -5.216
152 2HG2 ILE 15 HG22 ILE 15 -4.052 -6.435 -4.560
153 3HG2 ILE 15 HG23 ILE 15 -3.577 -8.016 -3.941
154 1HD1 ILE 15 HD11 ILE 15 -4.503 -6.825 -1.871
155 2HD1 ILE 15 HD12 ILE 15 -5.220 -5.560 -2.869
156 3HD1 ILE 15 HD13 ILE 15 -4.799 -5.225 -1.189
157 H TRP 16 HN TRP 16 0.716 -7.248 -2.641
158 HA TRP 16 HA TRP 16 1.016 -9.141 -4.739
159 1HB TRP 16 HB2 TRP 16 2.539 -7.145 -4.149
160 2HB TRP 16 HB1 TRP 16 3.251 -8.213 -2.944
161 HD1 TRP 16 HD1 TRP 16 5.481 -9.055 -3.860
162 HE1 TRP 16 HE1 TRP 16 6.332 -9.958 -6.115
163 HE3 TRP 16 HE3 TRP 16 1.228 -8.455 -6.631
164 HZ2 TRP 16 HZ2 TRP 16 5.332 -10.362 -8.724
165 HZ3 TRP 16 HZ3 TRP 16 1.258 -9.124 -8.999
166 HH2 TRP 16 HH2 TRP 16 3.269 -10.058 -10.022
167 H ASN 17 HN ASN 17 1.252 -9.277 -1.254
168 HA ASN 17 HA ASN 17 2.519 -11.830 -1.128
169 1HB ASN 17 HB2 ASN 17 1.378 -9.896 0.768
170 2HB ASN 17 HB1 ASN 17 1.203 -11.576 1.267
171 1HD2 ASN 17 HD21 ASN 17 2.698 -11.886 2.762
172 2HD2 ASN 17 HD22 ASN 17 4.378 -11.519 2.598
173 H TRP 18 HN TRP 18 -0.769 -10.712 -1.402
174 HA TRP 18 HA TRP 18 -1.945 -13.256 -0.734
175 1HB TRP 18 HB2 TRP 18 -3.153 -11.166 -0.290
176 2HB TRP 18 HB1 TRP 18 -3.166 -10.799 -2.011
177 HD1 TRP 18 HD1 TRP 18 -4.647 -13.356 0.477
178 HE1 TRP 18 HE1 TRP 18 -6.838 -14.267 -0.522
179 HE3 TRP 18 HE3 TRP 18 -4.467 -11.075 -4.096
180 HZ2 TRP 18 HZ2 TRP 18 -8.296 -14.047 -2.928
181 HZ3 TRP 18 HZ3 TRP 18 -6.299 -11.479 -5.688
182 HH2 TRP 18 HH2 TRP 18 -8.173 -12.934 -5.115
183 H LYS 19 HN LYS 19 -0.920 -11.581 -3.621
184 HA LYS 19 HA LYS 19 -2.276 -13.351 -5.434
185 1HB LYS 19 HB2 LYS 19 -1.345 -10.869 -5.742
186 2HB LYS 19 HB1 LYS 19 0.064 -11.744 -6.326
187 1HG LYS 19 HG2 LYS 19 -1.843 -13.016 -7.709
188 2HG LYS 19 HG1 LYS 19 -2.613 -11.439 -7.525
189 1HD LYS 19 HD2 LYS 19 0.188 -11.218 -8.267
190 2HD LYS 19 HD1 LYS 19 -0.744 -12.148 -9.443
191 1HE LYS 19 HE2 LYS 19 -0.730 -9.777 -10.013
192 2HE LYS 19 HE1 LYS 19 -2.358 -10.324 -9.614
193 1HZ LYS 19 HZ1 LYS 19 -0.647 -8.432 -8.229
194 2HZ LYS 19 HZ2 LYS 19 -1.518 -9.486 -7.234
195 3HZ LYS 19 HZ3 LYS 19 -2.335 -8.493 -8.333
196 1HN NH2 20 NH1 NH2 20 -1.551 -15.387 -4.668
197 2HN NH2 20 NH2 NH2 20 0.019 -15.985 -5.070
Start of MODEL 15
1 1H ALA 1 HT1 ALA 1 -1.940 16.703 1.581
2 2H ALA 1 HT2 ALA 1 -3.486 16.424 2.272
3 3H ALA 1 HT3 ALA 1 -2.455 15.101 1.908
4 HA ALA 1 HA ALA 1 -1.664 17.215 3.769
5 1HB ALA 1 HB1 ALA 1 -2.400 15.270 5.443
6 2HB ALA 1 HB2 ALA 1 -3.595 15.009 4.172
7 3HB ALA 1 HB3 ALA 1 -3.481 16.579 4.967
8 H LYS 2 HN LYS 2 -0.430 15.829 5.597
9 HA LYS 2 HA LYS 2 1.683 14.454 4.126
10 1HB LYS 2 HB2 LYS 2 1.761 16.331 6.134
11 2HB LYS 2 HB1 LYS 2 2.066 14.837 7.009
12 1HG LYS 2 HG2 LYS 2 3.768 14.455 5.015
13 2HG LYS 2 HG1 LYS 2 3.715 16.218 4.970
14 1HD LYS 2 HD2 LYS 2 3.964 15.705 7.651
15 2HD LYS 2 HD1 LYS 2 4.934 14.420 6.929
16 1HE LYS 2 HE2 LYS 2 6.240 16.041 5.703
17 2HE LYS 2 HE1 LYS 2 5.215 17.352 6.285
18 1HZ LYS 2 HZ1 LYS 2 7.293 17.201 7.523
19 2HZ LYS 2 HZ2 LYS 2 6.919 15.620 7.994
20 3HZ LYS 2 HZ3 LYS 2 5.964 16.910 8.529
21 H LYS 3 HN LYS 3 -0.547 12.918 4.239
22 HA LYS 3 HA LYS 3 0.342 10.724 5.968
23 1HB LYS 3 HB2 LYS 3 -1.513 11.941 7.137
24 2HB LYS 3 HB1 LYS 3 -2.561 11.562 5.777
25 1HG LYS 3 HG2 LYS 3 -2.802 9.401 6.384
26 2HG LYS 3 HG1 LYS 3 -1.163 9.284 7.027
27 1HD LYS 3 HD2 LYS 3 -1.799 10.420 9.036
28 2HD LYS 3 HD1 LYS 3 -3.391 10.802 8.376
29 1HE LYS 3 HE2 LYS 3 -4.215 8.772 8.870
30 2HE LYS 3 HE1 LYS 3 -2.740 7.946 8.370
31 1HZ LYS 3 HZ1 LYS 3 -2.565 9.488 10.826
32 2HZ LYS 3 HZ2 LYS 3 -1.916 7.972 10.450
33 3HZ LYS 3 HZ3 LYS 3 -3.543 8.108 10.894
34 H VAL 4 HN VAL 4 0.754 11.084 3.244
35 HA VAL 4 HA VAL 4 -1.117 9.624 1.667
36 HB VAL 4 HB VAL 4 0.591 11.026 0.599
37 1HG1 VAL 4 HG11 VAL 4 2.389 9.387 2.236
38 2HG1 VAL 4 HG12 VAL 4 2.586 11.030 1.627
39 3HG1 VAL 4 HG13 VAL 4 2.940 9.655 0.582
40 1HG2 VAL 4 HG21 VAL 4 1.363 9.441 -1.110
41 2HG2 VAL 4 HG22 VAL 4 -0.329 9.178 -0.688
42 3HG2 VAL 4 HG23 VAL 4 0.916 8.098 -0.058
43 H PHE 5 HN PHE 5 1.036 8.882 4.113
44 HA PHE 5 HA PHE 5 2.115 6.460 3.759
45 1HB PHE 5 HB2 PHE 5 2.223 7.896 5.795
46 2HB PHE 5 HB1 PHE 5 0.605 7.354 6.213
47 HD1 PHE 5 HD1 PHE 5 4.128 6.383 5.962
48 HD2 PHE 5 HD2 PHE 5 0.217 5.149 7.096
49 HE1 PHE 5 HE1 PHE 5 5.087 4.459 7.158
50 HE2 PHE 5 HE2 PHE 5 1.168 3.222 8.294
51 HZ PHE 5 HZ PHE 5 3.606 2.875 8.327
52 H LYS 6 HN LYS 6 -1.216 7.167 4.101
53 HA LYS 6 HA LYS 6 -2.165 4.566 4.667
54 1HB LYS 6 HB2 LYS 6 -3.412 6.822 4.842
55 2HB LYS 6 HB1 LYS 6 -3.733 6.622 3.125
56 1HG LYS 6 HG2 LYS 6 -5.369 5.169 3.504
57 2HG LYS 6 HG1 LYS 6 -4.380 4.231 4.625
58 1HD LYS 6 HD2 LYS 6 -4.850 6.230 6.246
59 2HD LYS 6 HD1 LYS 6 -6.216 6.525 5.169
60 1HE LYS 6 HE2 LYS 6 -5.974 3.725 5.900
61 2HE LYS 6 HE1 LYS 6 -6.147 4.768 7.310
62 1HZ LYS 6 HZ1 LYS 6 -8.247 5.307 6.764
63 2HZ LYS 6 HZ2 LYS 6 -8.204 3.854 5.898
64 3HZ LYS 6 HZ3 LYS 6 -7.945 5.322 5.098
65 H ARG 7 HN ARG 7 -1.766 6.376 1.645
66 HA ARG 7 HA ARG 7 -2.763 4.392 -0.079
67 1HB ARG 7 HB2 ARG 7 -1.042 6.799 -0.373
68 2HB ARG 7 HB1 ARG 7 -0.994 5.615 -1.673
69 1HG ARG 7 HG2 ARG 7 -3.672 5.883 -1.284
70 2HG ARG 7 HG1 ARG 7 -3.093 7.511 -0.924
71 1HD ARG 7 HD2 ARG 7 -3.580 7.449 -3.247
72 2HD ARG 7 HD1 ARG 7 -1.824 7.426 -3.091
73 HE ARG 7 HE ARG 7 -2.992 4.810 -3.277
74 1HH1 ARG 7 HH11 ARG 7 -1.809 7.541 -5.098
75 2HH1 ARG 7 HH12 ARG 7 -1.467 6.607 -6.515
76 1HH2 ARG 7 HH21 ARG 7 -2.543 3.579 -5.138
77 2HH2 ARG 7 HH22 ARG 7 -1.884 4.357 -6.538
78 H LEU 8 HN LEU 8 0.362 4.890 1.415
79 HA LEU 8 HA LEU 8 1.821 3.042 -0.155
80 1HB LEU 8 HB2 LEU 8 2.312 4.756 2.059
81 2HB LEU 8 HB1 LEU 8 2.853 3.150 2.510
82 HG LEU 8 HG LEU 8 3.798 3.695 -0.128
83 1HD1 LEU 8 HD11 LEU 8 4.123 5.927 1.840
84 2HD1 LEU 8 HD12 LEU 8 3.727 6.001 0.123
85 3HD1 LEU 8 HD13 LEU 8 5.365 5.593 0.634
86 1HD2 LEU 8 HD21 LEU 8 6.019 3.564 1.140
87 2HD2 LEU 8 HD22 LEU 8 4.956 2.157 1.195
88 3HD2 LEU 8 HD23 LEU 8 5.033 3.258 2.570
89 H GLU 9 HN GLU 9 -0.145 2.751 2.744
90 HA GLU 9 HA GLU 9 0.583 0.069 3.341
91 1HB GLU 9 HB2 GLU 9 -1.605 1.923 4.180
92 2HB GLU 9 HB1 GLU 9 -1.798 0.205 4.504
93 1HG GLU 9 HG2 GLU 9 0.820 1.103 5.290
94 2HG GLU 9 HG1 GLU 9 -0.436 2.082 6.046
95 H LYS 10 HN LYS 10 -1.727 1.563 1.198
96 HA LYS 10 HA LYS 10 -3.281 -0.772 0.703
97 1HB LYS 10 HB2 LYS 10 -3.839 1.721 0.209
98 2HB LYS 10 HB1 LYS 10 -2.945 1.460 -1.282
99 1HG LYS 10 HG2 LYS 10 -4.936 0.863 -2.105
100 2HG LYS 10 HG1 LYS 10 -4.614 -0.675 -1.302
101 1HD LYS 10 HD2 LYS 10 -5.869 1.480 0.308
102 2HD LYS 10 HD1 LYS 10 -6.866 0.689 -0.915
103 1HE LYS 10 HE2 LYS 10 -6.905 -1.284 0.198
104 2HE LYS 10 HE1 LYS 10 -5.267 -1.087 0.821
105 1HZ LYS 10 HZ1 LYS 10 -6.052 0.378 2.501
106 2HZ LYS 10 HZ2 LYS 10 -7.045 -0.991 2.534
107 3HZ LYS 10 HZ3 LYS 10 -7.603 0.440 1.828
108 H LEU 11 HN LEU 11 -0.451 0.705 -0.801
109 HA LEU 11 HA LEU 11 -0.308 -1.043 -3.020
110 1HB LEU 11 HB2 LEU 11 1.834 0.552 -1.611
111 2HB LEU 11 HB1 LEU 11 2.091 -0.315 -3.113
112 HG LEU 11 HG LEU 11 0.131 1.951 -2.736
113 1HD1 LEU 11 HD11 LEU 11 1.678 3.411 -3.501
114 2HD1 LEU 11 HD12 LEU 11 2.481 2.205 -4.506
115 3HD1 LEU 11 HD13 LEU 11 2.789 2.253 -2.770
116 1HD2 LEU 11 HD21 LEU 11 -0.796 0.906 -4.517
117 2HD2 LEU 11 HD22 LEU 11 0.694 0.062 -4.938
118 3HD2 LEU 11 HD23 LEU 11 0.484 1.755 -5.383
119 H PHE 12 HN PHE 12 0.856 -1.233 0.287
120 HA PHE 12 HA PHE 12 2.532 -3.494 -0.083
121 1HB PHE 12 HB2 PHE 12 2.227 -1.789 1.956
122 2HB PHE 12 HB1 PHE 12 1.172 -3.073 2.535
123 HD1 PHE 12 HD1 PHE 12 2.230 -4.279 4.174
124 HD2 PHE 12 HD2 PHE 12 4.445 -3.077 0.744
125 HE1 PHE 12 HE1 PHE 12 4.188 -5.512 5.011
126 HE2 PHE 12 HE2 PHE 12 6.407 -4.308 1.574
127 HZ PHE 12 HZ PHE 12 6.280 -5.528 3.710
128 H SER 13 HN SER 13 -0.884 -3.047 0.465
129 HA SER 13 HA SER 13 -1.515 -5.705 1.195
130 1HB SER 13 HB2 SER 13 -2.928 -3.371 1.071
131 2HB SER 13 HB1 SER 13 -3.562 -4.227 -0.334
132 HG SER 13 HG SER 13 -3.980 -4.690 2.315
133 H LYS 14 HN LYS 14 -1.020 -4.086 -1.867
134 HA LYS 14 HA LYS 14 -2.157 -6.065 -3.537
135 1HB LYS 14 HB2 LYS 14 -0.204 -3.831 -3.933
136 2HB LYS 14 HB1 LYS 14 -0.403 -5.024 -5.208
137 1HG LYS 14 HG2 LYS 14 -2.874 -4.529 -5.121
138 2HG LYS 14 HG1 LYS 14 -2.472 -3.161 -4.081
139 1HD LYS 14 HD2 LYS 14 -1.548 -1.968 -5.779
140 2HD LYS 14 HD1 LYS 14 -0.947 -3.407 -6.605
141 1HE LYS 14 HE2 LYS 14 -2.608 -3.030 -8.060
142 2HE LYS 14 HE1 LYS 14 -3.650 -3.722 -6.818
143 1HZ LYS 14 HZ1 LYS 14 -3.378 -0.964 -7.684
144 2HZ LYS 14 HZ2 LYS 14 -3.545 -1.190 -6.016
145 3HZ LYS 14 HZ3 LYS 14 -4.728 -1.780 -7.072
146 H ILE 15 HN ILE 15 1.030 -5.651 -2.107
147 HA ILE 15 HA ILE 15 2.344 -7.689 -3.559
148 HB ILE 15 HB ILE 15 2.960 -6.789 -0.741
149 1HG1 ILE 15 HG12 ILE 15 3.967 -5.688 -3.375
150 2HG1 ILE 15 HG11 ILE 15 2.848 -4.874 -2.286
151 1HG2 ILE 15 HG21 ILE 15 4.296 -8.623 -1.021
152 2HG2 ILE 15 HG22 ILE 15 5.337 -7.380 -1.716
153 3HG2 ILE 15 HG23 ILE 15 4.388 -8.427 -2.771
154 1HD1 ILE 15 HD11 ILE 15 5.586 -5.703 -1.398
155 2HD1 ILE 15 HD12 ILE 15 4.502 -4.513 -0.678
156 3HD1 ILE 15 HD13 ILE 15 5.290 -4.170 -2.218
157 H TRP 16 HN TRP 16 0.257 -7.694 -0.765
158 HA TRP 16 HA TRP 16 0.847 -10.304 0.157
159 1HB TRP 16 HB2 TRP 16 -0.854 -8.185 0.927
160 2HB TRP 16 HB1 TRP 16 -1.896 -9.581 0.671
161 HD1 TRP 16 HD1 TRP 16 -1.886 -11.433 2.497
162 HE1 TRP 16 HE1 TRP 16 -0.652 -11.743 4.734
163 HE3 TRP 16 HE3 TRP 16 1.521 -7.646 2.076
164 HZ2 TRP 16 HZ2 TRP 16 1.485 -10.543 6.134
165 HZ3 TRP 16 HZ3 TRP 16 3.126 -7.294 3.907
166 HH2 TRP 16 HH2 TRP 16 3.107 -8.713 5.894
167 H ASN 17 HN ASN 17 -1.228 -9.031 -2.345
168 HA ASN 17 HA ASN 17 -2.789 -11.374 -2.729
169 1HB ASN 17 HB2 ASN 17 -3.053 -8.859 -3.600
170 2HB ASN 17 HB1 ASN 17 -2.274 -9.548 -5.022
171 1HD2 ASN 17 HD21 ASN 17 -3.268 -11.852 -5.500
172 2HD2 ASN 17 HD22 ASN 17 -4.992 -11.854 -5.614
173 H TRP 18 HN TRP 18 0.323 -10.295 -3.899
174 HA TRP 18 HA TRP 18 0.525 -12.293 -5.953
175 1HB TRP 18 HB2 TRP 18 1.836 -9.946 -5.465
176 2HB TRP 18 HB1 TRP 18 3.028 -11.126 -4.927
177 HD1 TRP 18 HD1 TRP 18 3.368 -13.220 -6.908
178 HE1 TRP 18 HE1 TRP 18 3.766 -12.855 -9.425
179 HE3 TRP 18 HE3 TRP 18 1.539 -8.467 -7.336
180 HZ2 TRP 18 HZ2 TRP 18 3.357 -10.820 -11.338
181 HZ3 TRP 18 HZ3 TRP 18 1.580 -7.382 -9.544
182 HH2 TRP 18 HH2 TRP 18 2.471 -8.535 -11.502
183 H LYS 19 HN LYS 19 1.427 -12.013 -2.590
184 HA LYS 19 HA LYS 19 3.117 -14.329 -2.575
185 1HB LYS 19 HB2 LYS 19 1.815 -12.977 -0.210
186 2HB LYS 19 HB1 LYS 19 3.233 -14.016 -0.194
187 1HG LYS 19 HG2 LYS 19 3.363 -11.584 -1.873
188 2HG LYS 19 HG1 LYS 19 3.390 -11.366 -0.123
189 1HD LYS 19 HD2 LYS 19 5.151 -13.493 -1.112
190 2HD LYS 19 HD1 LYS 19 5.578 -11.874 -1.667
191 1HE LYS 19 HE2 LYS 19 5.135 -12.664 1.209
192 2HE LYS 19 HE1 LYS 19 6.710 -12.497 0.436
193 1HZ LYS 19 HZ1 LYS 19 5.443 -10.533 1.754
194 2HZ LYS 19 HZ2 LYS 19 4.985 -10.195 0.161
195 3HZ LYS 19 HZ3 LYS 19 6.625 -10.278 0.570
196 1HN NH2 20 NH1 NH2 20 -0.248 -13.812 -2.450
197 2HN NH2 20 NH2 NH2 20 -0.716 -15.397 -1.952
Start of MODEL 16
1 1H ALA 1 HT1 ALA 1 -4.178 15.638 6.662
2 2H ALA 1 HT2 ALA 1 -4.496 16.462 5.190
3 3H ALA 1 HT3 ALA 1 -4.263 17.350 6.641
4 HA ALA 1 HA ALA 1 -2.285 17.596 5.626
5 1HB ALA 1 HB1 ALA 1 -0.698 16.241 6.858
6 2HB ALA 1 HB2 ALA 1 -1.960 15.070 7.241
7 3HB ALA 1 HB3 ALA 1 -2.041 16.703 7.903
8 H LYS 2 HN LYS 2 -0.232 16.065 4.923
9 HA LYS 2 HA LYS 2 -1.220 14.698 2.526
10 1HB LYS 2 HB2 LYS 2 1.075 14.976 1.668
11 2HB LYS 2 HB1 LYS 2 0.346 16.511 2.119
12 1HG LYS 2 HG2 LYS 2 1.677 16.712 4.033
13 2HG LYS 2 HG1 LYS 2 2.137 15.009 3.996
14 1HD LYS 2 HD2 LYS 2 3.181 15.612 1.693
15 2HD LYS 2 HD1 LYS 2 3.100 17.271 2.288
16 1HE LYS 2 HE2 LYS 2 5.112 16.823 3.174
17 2HE LYS 2 HE1 LYS 2 4.189 15.991 4.423
18 1HZ LYS 2 HZ1 LYS 2 5.642 14.363 3.815
19 2HZ LYS 2 HZ2 LYS 2 5.742 14.872 2.205
20 3HZ LYS 2 HZ3 LYS 2 4.383 14.017 2.738
21 H LYS 3 HN LYS 3 -1.656 13.107 4.576
22 HA LYS 3 HA LYS 3 0.653 11.312 4.873
23 1HB LYS 3 HB2 LYS 3 -0.758 12.109 6.864
24 2HB LYS 3 HB1 LYS 3 -2.015 11.039 6.259
25 1HG LYS 3 HG2 LYS 3 -0.918 9.774 7.871
26 2HG LYS 3 HG1 LYS 3 -0.236 9.203 6.347
27 1HD LYS 3 HD2 LYS 3 1.713 9.514 7.463
28 2HD LYS 3 HD1 LYS 3 1.500 11.168 6.886
29 1HE LYS 3 HE2 LYS 3 0.154 10.546 9.424
30 2HE LYS 3 HE1 LYS 3 1.915 10.482 9.479
31 1HZ LYS 3 HZ1 LYS 3 0.696 12.703 9.924
32 2HZ LYS 3 HZ2 LYS 3 0.585 12.793 8.239
33 3HZ LYS 3 HZ3 LYS 3 2.101 12.703 8.982
34 H VAL 4 HN VAL 4 -0.524 11.429 2.359
35 HA VAL 4 HA VAL 4 -2.344 9.285 1.914
36 HB VAL 4 HB VAL 4 -1.959 10.983 0.180
37 1HG1 VAL 4 HG11 VAL 4 0.335 10.403 -1.131
38 2HG1 VAL 4 HG12 VAL 4 0.835 10.139 0.540
39 3HG1 VAL 4 HG13 VAL 4 0.170 11.699 0.054
40 1HG2 VAL 4 HG21 VAL 4 -2.333 9.554 -1.526
41 2HG2 VAL 4 HG22 VAL 4 -2.349 8.349 -0.239
42 3HG2 VAL 4 HG23 VAL 4 -0.886 8.604 -1.190
43 H PHE 5 HN PHE 5 0.851 9.531 2.860
44 HA PHE 5 HA PHE 5 2.266 7.460 1.871
45 1HB PHE 5 HB2 PHE 5 2.970 9.193 3.553
46 2HB PHE 5 HB1 PHE 5 2.142 8.250 4.780
47 HD1 PHE 5 HD1 PHE 5 3.736 7.335 6.170
48 HD2 PHE 5 HD2 PHE 5 4.362 7.228 1.962
49 HE1 PHE 5 HE1 PHE 5 5.769 5.991 6.511
50 HE2 PHE 5 HE2 PHE 5 6.395 5.882 2.295
51 HZ PHE 5 HZ PHE 5 7.101 5.262 4.572
52 H LYS 6 HN LYS 6 -0.431 7.322 3.960
53 HA LYS 6 HA LYS 6 -0.094 4.694 4.954
54 1HB LYS 6 HB2 LYS 6 -1.697 6.555 5.773
55 2HB LYS 6 HB1 LYS 6 -2.780 5.977 4.513
56 1HG LYS 6 HG2 LYS 6 -2.831 3.777 5.523
57 2HG LYS 6 HG1 LYS 6 -1.673 4.293 6.750
58 1HD LYS 6 HD2 LYS 6 -3.221 5.686 7.799
59 2HD LYS 6 HD1 LYS 6 -4.269 5.744 6.380
60 1HE LYS 6 HE2 LYS 6 -5.452 4.311 7.724
61 2HE LYS 6 HE1 LYS 6 -4.473 3.167 6.808
62 1HZ LYS 6 HZ1 LYS 6 -2.860 3.663 8.863
63 2HZ LYS 6 HZ2 LYS 6 -3.992 2.407 8.855
64 3HZ LYS 6 HZ3 LYS 6 -4.358 3.869 9.623
65 H ARG 7 HN ARG 7 -1.667 6.037 2.098
66 HA ARG 7 HA ARG 7 -2.910 3.685 1.196
67 1HB ARG 7 HB2 ARG 7 -2.242 6.310 0.084
68 2HB ARG 7 HB1 ARG 7 -2.211 5.024 -1.115
69 1HG ARG 7 HG2 ARG 7 -4.544 4.589 0.344
70 2HG ARG 7 HG1 ARG 7 -4.459 6.337 0.115
71 1HD ARG 7 HD2 ARG 7 -4.412 4.195 -2.001
72 2HD ARG 7 HD1 ARG 7 -5.651 5.421 -1.737
73 HE ARG 7 HE ARG 7 -3.081 6.554 -2.276
74 1HH1 ARG 7 HH11 ARG 7 -5.918 5.165 -3.760
75 2HH1 ARG 7 HH12 ARG 7 -5.688 5.990 -5.265
76 1HH2 ARG 7 HH21 ARG 7 -2.778 7.640 -4.255
77 2HH2 ARG 7 HH22 ARG 7 -3.905 7.394 -5.547
78 H LEU 8 HN LEU 8 0.375 4.876 0.934
79 HA LEU 8 HA LEU 8 1.299 3.106 -1.050
80 1HB LEU 8 HB2 LEU 8 2.415 5.190 0.116
81 2HB LEU 8 HB1 LEU 8 3.072 3.974 1.195
82 HG LEU 8 HG LEU 8 4.700 4.431 -0.499
83 1HD1 LEU 8 HD11 LEU 8 5.219 2.279 -1.081
84 2HD1 LEU 8 HD12 LEU 8 3.555 1.872 -1.499
85 3HD1 LEU 8 HD13 LEU 8 4.036 1.990 0.194
86 1HD2 LEU 8 HD21 LEU 8 2.579 3.747 -2.531
87 2HD2 LEU 8 HD22 LEU 8 4.254 4.184 -2.868
88 3HD2 LEU 8 HD23 LEU 8 3.157 5.373 -2.167
89 H GLU 9 HN GLU 9 1.106 2.830 2.473
90 HA GLU 9 HA GLU 9 2.410 0.318 2.639
91 1HB GLU 9 HB2 GLU 9 0.977 2.112 4.439
92 2HB GLU 9 HB1 GLU 9 0.657 0.421 4.795
93 1HG GLU 9 HG2 GLU 9 3.382 1.682 4.600
94 2HG GLU 9 HG1 GLU 9 2.528 1.301 6.094
95 H LYS 10 HN LYS 10 -0.861 1.317 1.969
96 HA LYS 10 HA LYS 10 -2.078 -1.229 2.342
97 1HB LYS 10 HB2 LYS 10 -3.137 1.174 2.142
98 2HB LYS 10 HB1 LYS 10 -3.167 0.797 0.425
99 1HG LYS 10 HG2 LYS 10 -4.882 -0.619 0.643
100 2HG LYS 10 HG1 LYS 10 -4.231 -1.332 2.120
101 1HD LYS 10 HD2 LYS 10 -4.935 0.956 3.177
102 2HD LYS 10 HD1 LYS 10 -6.006 1.045 1.777
103 1HE LYS 10 HE2 LYS 10 -7.090 -0.992 2.387
104 2HE LYS 10 HE1 LYS 10 -5.899 -1.314 3.646
105 1HZ LYS 10 HZ1 LYS 10 -8.258 -0.197 4.118
106 2HZ LYS 10 HZ2 LYS 10 -7.338 1.200 3.868
107 3HZ LYS 10 HZ3 LYS 10 -6.891 0.098 5.070
108 H LEU 11 HN LEU 11 -0.477 0.396 -0.314
109 HA LEU 11 HA LEU 11 -1.273 -1.394 -2.361
110 1HB LEU 11 HB2 LEU 11 0.385 0.912 -2.114
111 2HB LEU 11 HB1 LEU 11 1.319 -0.337 -2.915
112 HG LEU 11 HG LEU 11 -0.470 -0.569 -4.605
113 1HD1 LEU 11 HD11 LEU 11 -1.700 1.929 -3.502
114 2HD1 LEU 11 HD12 LEU 11 -2.235 0.335 -2.970
115 3HD1 LEU 11 HD13 LEU 11 -2.360 0.785 -4.671
116 1HD2 LEU 11 HD21 LEU 11 0.959 2.005 -4.146
117 2HD2 LEU 11 HD22 LEU 11 -0.185 1.886 -5.483
118 3HD2 LEU 11 HD23 LEU 11 1.195 0.791 -5.404
119 H PHE 12 HN PHE 12 1.295 -1.411 0.020
120 HA PHE 12 HA PHE 12 2.817 -3.511 -1.134
121 1HB PHE 12 HB2 PHE 12 3.372 -1.802 0.815
122 2HB PHE 12 HB1 PHE 12 2.751 -3.102 1.827
123 HD1 PHE 12 HD1 PHE 12 4.404 -4.358 2.782
124 HD2 PHE 12 HD2 PHE 12 4.963 -2.899 -1.176
125 HE1 PHE 12 HE1 PHE 12 6.590 -5.481 2.682
126 HE2 PHE 12 HE2 PHE 12 7.151 -4.021 -1.284
127 HZ PHE 12 HZ PHE 12 7.966 -5.314 0.646
128 H SER 13 HN SER 13 0.051 -3.386 1.008
129 HA SER 13 HA SER 13 0.098 -6.101 1.814
130 1HB SER 13 HB2 SER 13 -2.137 -4.069 1.676
131 2HB SER 13 HB1 SER 13 -2.350 -5.691 2.334
132 HG SER 13 HG SER 13 -1.224 -3.503 3.473
133 H LYS 14 HN LYS 14 -1.165 -4.415 -0.980
134 HA LYS 14 HA LYS 14 -2.787 -6.512 -1.971
135 1HB LYS 14 HB2 LYS 14 -1.975 -3.892 -2.816
136 2HB LYS 14 HB1 LYS 14 -1.778 -5.013 -4.156
137 1HG LYS 14 HG2 LYS 14 -4.313 -4.735 -2.561
138 2HG LYS 14 HG1 LYS 14 -3.989 -3.877 -4.069
139 1HD LYS 14 HD2 LYS 14 -4.193 -5.760 -5.343
140 2HD LYS 14 HD1 LYS 14 -3.626 -6.824 -4.054
141 1HE LYS 14 HE2 LYS 14 -6.298 -5.438 -4.003
142 2HE LYS 14 HE1 LYS 14 -6.059 -7.052 -4.671
143 1HZ LYS 14 HZ1 LYS 14 -6.806 -6.855 -2.256
144 2HZ LYS 14 HZ2 LYS 14 -5.213 -6.399 -1.918
145 3HZ LYS 14 HZ3 LYS 14 -5.532 -7.916 -2.595
146 H ILE 15 HN ILE 15 0.624 -5.763 -2.214
147 HA ILE 15 HA ILE 15 1.249 -7.556 -4.315
148 HB ILE 15 HB ILE 15 3.073 -6.672 -2.078
149 1HG1 ILE 15 HG12 ILE 15 1.843 -4.820 -3.348
150 2HG1 ILE 15 HG11 ILE 15 3.597 -4.724 -3.303
151 1HG2 ILE 15 HG21 ILE 15 3.873 -8.545 -3.481
152 2HG2 ILE 15 HG22 ILE 15 4.869 -7.097 -3.626
153 3HG2 ILE 15 HG23 ILE 15 3.721 -7.510 -4.900
154 1HD1 ILE 15 HD11 ILE 15 3.690 -5.677 -5.560
155 2HD1 ILE 15 HD12 ILE 15 2.763 -4.177 -5.504
156 3HD1 ILE 15 HD13 ILE 15 1.928 -5.728 -5.596
157 H TRP 16 HN TRP 16 0.853 -7.916 -0.859
158 HA TRP 16 HA TRP 16 2.061 -10.476 -0.632
159 1HB TRP 16 HB2 TRP 16 0.379 -8.733 1.075
160 2HB TRP 16 HB1 TRP 16 0.316 -10.456 1.432
161 HD1 TRP 16 HD1 TRP 16 2.276 -7.445 2.213
162 HE1 TRP 16 HE1 TRP 16 4.489 -8.069 3.368
163 HE3 TRP 16 HE3 TRP 16 2.313 -12.465 1.242
164 HZ2 TRP 16 HZ2 TRP 16 6.046 -10.382 3.810
165 HZ3 TRP 16 HZ3 TRP 16 4.201 -13.811 2.066
166 HH2 TRP 16 HH2 TRP 16 6.028 -12.790 3.323
167 H ASN 17 HN ASN 17 -1.126 -9.341 -1.502
168 HA ASN 17 HA ASN 17 -2.437 -11.863 -1.273
169 1HB ASN 17 HB2 ASN 17 -3.107 -9.198 -2.435
170 2HB ASN 17 HB1 ASN 17 -4.053 -10.588 -2.958
171 1HD2 ASN 17 HD21 ASN 17 -4.097 -8.117 -0.909
172 2HD2 ASN 17 HD22 ASN 17 -5.019 -8.789 0.389
173 H TRP 18 HN TRP 18 -0.598 -10.250 -3.760
174 HA TRP 18 HA TRP 18 -1.398 -12.083 -5.841
175 1HB TRP 18 HB2 TRP 18 -0.065 -9.559 -5.702
176 2HB TRP 18 HB1 TRP 18 0.975 -10.688 -6.564
177 HD1 TRP 18 HD1 TRP 18 -2.759 -9.609 -6.707
178 HE1 TRP 18 HE1 TRP 18 -3.461 -9.542 -9.183
179 HE3 TRP 18 HE3 TRP 18 1.609 -11.201 -8.834
180 HZ2 TRP 18 HZ2 TRP 18 -2.315 -10.091 -11.703
181 HZ3 TRP 18 HZ3 TRP 18 1.723 -11.403 -11.283
182 HH2 TRP 18 HH2 TRP 18 -0.199 -10.860 -12.687
183 H LYS 19 HN LYS 19 1.253 -11.715 -3.587
184 HA LYS 19 HA LYS 19 2.829 -13.797 -4.840
185 1HB LYS 19 HB2 LYS 19 3.231 -12.318 -2.233
186 2HB LYS 19 HB1 LYS 19 4.389 -13.422 -2.963
187 1HG LYS 19 HG2 LYS 19 4.765 -11.958 -4.790
188 2HG LYS 19 HG1 LYS 19 3.400 -10.937 -4.335
189 1HD LYS 19 HD2 LYS 19 5.406 -9.826 -3.656
190 2HD LYS 19 HD1 LYS 19 4.597 -10.419 -2.204
191 1HE LYS 19 HE2 LYS 19 6.544 -12.260 -3.433
192 2HE LYS 19 HE1 LYS 19 7.219 -10.789 -2.732
193 1HZ LYS 19 HZ1 LYS 19 6.251 -11.318 -0.635
194 2HZ LYS 19 HZ2 LYS 19 7.085 -12.688 -1.170
195 3HZ LYS 19 HZ3 LYS 19 5.398 -12.630 -1.281
196 1HN NH2 20 NH1 NH2 20 3.548 -15.680 -3.611
197 2HN NH2 20 NH2 NH2 20 2.438 -16.465 -2.545
Start of MODEL 17
1 1H ALA 1 HT1 ALA 1 -2.039 17.613 3.019
2 2H ALA 1 HT2 ALA 1 -0.328 17.691 3.125
3 3H ALA 1 HT3 ALA 1 -1.259 17.313 4.516
4 HA ALA 1 HA ALA 1 -2.085 15.350 3.267
5 1HB ALA 1 HB1 ALA 1 -0.088 14.708 1.603
6 2HB ALA 1 HB2 ALA 1 -0.096 16.458 1.384
7 3HB ALA 1 HB3 ALA 1 -1.559 15.525 1.073
8 H LYS 2 HN LYS 2 -1.326 15.408 5.641
9 HA LYS 2 HA LYS 2 1.357 14.267 5.938
10 1HB LYS 2 HB2 LYS 2 0.987 14.629 8.373
11 2HB LYS 2 HB1 LYS 2 0.909 16.108 7.424
12 1HG LYS 2 HG2 LYS 2 -1.084 16.546 8.271
13 2HG LYS 2 HG1 LYS 2 -1.713 15.053 7.572
14 1HD LYS 2 HD2 LYS 2 -0.704 13.893 9.622
15 2HD LYS 2 HD1 LYS 2 -0.575 15.511 10.314
16 1HE LYS 2 HE2 LYS 2 -2.870 15.796 10.407
17 2HE LYS 2 HE1 LYS 2 -3.172 14.585 9.162
18 1HZ LYS 2 HZ1 LYS 2 -2.062 13.081 11.051
19 2HZ LYS 2 HZ2 LYS 2 -3.729 13.343 10.936
20 3HZ LYS 2 HZ3 LYS 2 -2.804 14.251 12.023
21 H LYS 3 HN LYS 3 -0.305 12.538 4.699
22 HA LYS 3 HA LYS 3 -0.259 10.281 6.419
23 1HB LYS 3 HB2 LYS 3 -2.401 11.621 7.085
24 2HB LYS 3 HB1 LYS 3 -3.057 10.991 5.581
25 1HG LYS 3 HG2 LYS 3 -2.315 8.691 6.491
26 2HG LYS 3 HG1 LYS 3 -2.247 9.515 8.050
27 1HD LYS 3 HD2 LYS 3 -4.581 10.173 7.820
28 2HD LYS 3 HD1 LYS 3 -4.655 9.403 6.233
29 1HE LYS 3 HE2 LYS 3 -4.824 7.331 7.104
30 2HE LYS 3 HE1 LYS 3 -3.708 7.683 8.423
31 1HZ LYS 3 HZ1 LYS 3 -6.315 7.337 8.768
32 2HZ LYS 3 HZ2 LYS 3 -6.289 9.013 8.546
33 3HZ LYS 3 HZ3 LYS 3 -5.372 8.311 9.781
34 H VAL 4 HN VAL 4 0.786 10.944 3.925
35 HA VAL 4 HA VAL 4 -0.666 9.754 1.787
36 HB VAL 4 HB VAL 4 2.347 9.824 2.070
37 1HG1 VAL 4 HG11 VAL 4 0.806 8.640 0.153
38 2HG1 VAL 4 HG12 VAL 4 2.466 9.191 -0.076
39 3HG1 VAL 4 HG13 VAL 4 1.120 10.225 -0.555
40 1HG2 VAL 4 HG21 VAL 4 2.248 11.974 0.847
41 2HG2 VAL 4 HG22 VAL 4 1.533 12.062 2.456
42 3HG2 VAL 4 HG23 VAL 4 0.494 11.966 1.034
43 H PHE 5 HN PHE 5 0.837 8.637 4.566
44 HA PHE 5 HA PHE 5 1.858 6.183 4.136
45 1HB PHE 5 HB2 PHE 5 1.610 7.440 6.307
46 2HB PHE 5 HB1 PHE 5 -0.054 6.883 6.361
47 HD1 PHE 5 HD1 PHE 5 3.032 5.052 5.373
48 HD2 PHE 5 HD2 PHE 5 -0.160 5.429 8.162
49 HE1 PHE 5 HE1 PHE 5 3.764 2.982 6.484
50 HE2 PHE 5 HE2 PHE 5 0.567 3.360 9.279
51 HZ PHE 5 HZ PHE 5 2.531 2.134 8.441
52 H LYS 6 HN LYS 6 -1.411 7.144 3.889
53 HA LYS 6 HA LYS 6 -2.659 4.618 4.008
54 1HB LYS 6 HB2 LYS 6 -3.800 6.875 4.162
55 2HB LYS 6 HB1 LYS 6 -3.623 6.998 2.417
56 1HG LYS 6 HG2 LYS 6 -4.978 4.998 2.123
57 2HG LYS 6 HG1 LYS 6 -5.133 4.837 3.873
58 1HD LYS 6 HD2 LYS 6 -5.889 7.487 3.013
59 2HD LYS 6 HD1 LYS 6 -6.810 6.258 2.144
60 1HE LYS 6 HE2 LYS 6 -6.493 5.965 5.087
61 2HE LYS 6 HE1 LYS 6 -7.602 7.198 4.487
62 1HZ LYS 6 HZ1 LYS 6 -8.647 5.008 4.915
63 2HZ LYS 6 HZ2 LYS 6 -7.707 4.346 3.675
64 3HZ LYS 6 HZ3 LYS 6 -8.842 5.550 3.324
65 H ARG 7 HN ARG 7 -1.338 6.522 1.333
66 HA ARG 7 HA ARG 7 -2.155 4.818 -0.751
67 1HB ARG 7 HB2 ARG 7 0.006 6.866 -0.444
68 2HB ARG 7 HB1 ARG 7 0.007 5.823 -1.860
69 1HG ARG 7 HG2 ARG 7 -1.214 7.541 -2.689
70 2HG ARG 7 HG1 ARG 7 -2.525 6.605 -1.969
71 1HD ARG 7 HD2 ARG 7 -1.344 8.356 -0.014
72 2HD ARG 7 HD1 ARG 7 -1.832 9.268 -1.441
73 HE ARG 7 HE ARG 7 -3.552 7.990 0.475
74 1HH1 ARG 7 HH11 ARG 7 -3.291 9.165 -2.801
75 2HH1 ARG 7 HH12 ARG 7 -4.999 9.376 -2.994
76 1HH2 ARG 7 HH21 ARG 7 -5.799 8.266 0.222
77 2HH2 ARG 7 HH22 ARG 7 -6.423 8.866 -1.278
78 H LEU 8 HN LEU 8 0.672 4.814 1.352
79 HA LEU 8 HA LEU 8 2.117 2.795 0.018
80 1HB LEU 8 HB2 LEU 8 2.139 3.955 2.767
81 2HB LEU 8 HB1 LEU 8 2.993 2.447 2.497
82 HG LEU 8 HG LEU 8 3.575 4.632 0.586
83 1HD1 LEU 8 HD11 LEU 8 4.954 5.878 2.031
84 2HD1 LEU 8 HD12 LEU 8 4.790 4.699 3.333
85 3HD1 LEU 8 HD13 LEU 8 3.416 5.705 2.876
86 1HD2 LEU 8 HD21 LEU 8 5.608 3.596 0.407
87 2HD2 LEU 8 HD22 LEU 8 4.597 2.225 0.865
88 3HD2 LEU 8 HD23 LEU 8 5.592 3.031 2.077
89 H GLU 9 HN GLU 9 -0.484 2.726 2.363
90 HA GLU 9 HA GLU 9 -0.301 -0.016 3.034
91 1HB GLU 9 HB2 GLU 9 -2.367 2.113 3.293
92 2HB GLU 9 HB1 GLU 9 -2.903 0.445 3.436
93 1HG GLU 9 HG2 GLU 9 -0.604 1.495 5.043
94 2HG GLU 9 HG1 GLU 9 -2.274 1.695 5.570
95 H LYS 10 HN LYS 10 -1.796 1.740 0.404
96 HA LYS 10 HA LYS 10 -3.375 -0.397 -0.589
97 1HB LYS 10 HB2 LYS 10 -2.505 2.263 -1.556
98 2HB LYS 10 HB1 LYS 10 -2.909 1.093 -2.804
99 1HG LYS 10 HG2 LYS 10 -5.050 0.763 -1.279
100 2HG LYS 10 HG1 LYS 10 -4.648 2.414 -0.802
101 1HD LYS 10 HD2 LYS 10 -5.887 2.964 -2.604
102 2HD LYS 10 HD1 LYS 10 -4.403 2.601 -3.488
103 1HE LYS 10 HE2 LYS 10 -5.502 0.133 -3.296
104 2HE LYS 10 HE1 LYS 10 -6.951 1.133 -3.372
105 1HZ LYS 10 HZ1 LYS 10 -4.801 1.633 -5.302
106 2HZ LYS 10 HZ2 LYS 10 -6.471 1.832 -5.476
107 3HZ LYS 10 HZ3 LYS 10 -5.794 0.283 -5.536
108 H LEU 11 HN LEU 11 -0.142 0.826 -1.411
109 HA LEU 11 HA LEU 11 0.371 -1.091 -3.429
110 1HB LEU 11 HB2 LEU 11 1.647 1.143 -2.551
111 2HB LEU 11 HB1 LEU 11 2.674 -0.104 -1.869
112 HG LEU 11 HG LEU 11 2.555 -1.051 -4.350
113 1HD1 LEU 11 HD11 LEU 11 2.551 0.740 -5.986
114 2HD1 LEU 11 HD12 LEU 11 2.208 1.920 -4.721
115 3HD1 LEU 11 HD13 LEU 11 1.012 0.689 -5.126
116 1HD2 LEU 11 HD21 LEU 11 4.465 0.038 -2.826
117 2HD2 LEU 11 HD22 LEU 11 4.372 1.266 -4.088
118 3HD2 LEU 11 HD23 LEU 11 4.720 -0.410 -4.512
119 H PHE 12 HN PHE 12 0.663 -1.104 0.048
120 HA PHE 12 HA PHE 12 2.274 -3.436 0.253
121 1HB PHE 12 HB2 PHE 12 1.250 -1.548 2.030
122 2HB PHE 12 HB1 PHE 12 0.446 -3.046 2.488
123 HD1 PHE 12 HD1 PHE 12 2.175 -5.140 2.461
124 HD2 PHE 12 HD2 PHE 12 3.168 -1.063 3.169
125 HE1 PHE 12 HE1 PHE 12 4.189 -5.848 3.685
126 HE2 PHE 12 HE2 PHE 12 5.184 -1.763 4.393
127 HZ PHE 12 HZ PHE 12 5.697 -4.158 4.653
128 H SER 13 HN SER 13 -1.148 -2.827 -0.103
129 HA SER 13 HA SER 13 -2.083 -5.397 0.602
130 1HB SER 13 HB2 SER 13 -4.162 -4.722 -0.252
131 2HB SER 13 HB1 SER 13 -3.416 -3.197 0.224
132 HG SER 13 HG SER 13 -2.660 -3.169 -2.071
133 H LYS 14 HN LYS 14 -0.761 -4.037 -2.344
134 HA LYS 14 HA LYS 14 -1.521 -6.115 -4.100
135 1HB LYS 14 HB2 LYS 14 -0.722 -3.932 -4.895
136 2HB LYS 14 HB1 LYS 14 0.872 -4.268 -4.234
137 1HG LYS 14 HG2 LYS 14 0.780 -6.357 -5.778
138 2HG LYS 14 HG1 LYS 14 -0.472 -5.444 -6.623
139 1HD LYS 14 HD2 LYS 14 1.070 -3.595 -6.957
140 2HD LYS 14 HD1 LYS 14 2.318 -4.448 -6.046
141 1HE LYS 14 HE2 LYS 14 2.641 -6.024 -7.721
142 2HE LYS 14 HE1 LYS 14 1.065 -5.716 -8.450
143 1HZ LYS 14 HZ1 LYS 14 3.338 -4.771 -9.436
144 2HZ LYS 14 HZ2 LYS 14 2.922 -3.480 -8.425
145 3HZ LYS 14 HZ3 LYS 14 1.852 -3.986 -9.633
146 H ILE 15 HN ILE 15 1.115 -5.738 -1.835
147 HA ILE 15 HA ILE 15 2.729 -7.864 -2.779
148 HB ILE 15 HB ILE 15 2.545 -6.862 0.065
149 1HG1 ILE 15 HG12 ILE 15 4.258 -5.858 -2.221
150 2HG1 ILE 15 HG11 ILE 15 2.914 -4.992 -1.483
151 1HG2 ILE 15 HG21 ILE 15 3.808 -8.825 0.083
152 2HG2 ILE 15 HG22 ILE 15 5.014 -7.542 -0.016
153 3HG2 ILE 15 HG23 ILE 15 4.576 -8.454 -1.461
154 1HD1 ILE 15 HD11 ILE 15 5.173 -4.247 -0.753
155 2HD1 ILE 15 HD12 ILE 15 5.386 -5.823 0.011
156 3HD1 ILE 15 HD13 ILE 15 4.105 -4.742 0.561
157 H TRP 16 HN TRP 16 -0.016 -7.686 -0.606
158 HA TRP 16 HA TRP 16 0.209 -10.301 0.460
159 1HB TRP 16 HB2 TRP 16 -1.676 -8.099 0.591
160 2HB TRP 16 HB1 TRP 16 -2.514 -9.642 0.466
161 HD1 TRP 16 HD1 TRP 16 -2.334 -11.312 2.525
162 HE1 TRP 16 HE1 TRP 16 -1.560 -10.991 4.959
163 HE3 TRP 16 HE3 TRP 16 0.033 -6.806 2.039
164 HZ2 TRP 16 HZ2 TRP 16 -0.135 -9.082 6.472
165 HZ3 TRP 16 HZ3 TRP 16 1.076 -5.801 4.028
166 HH2 TRP 16 HH2 TRP 16 0.993 -6.916 6.198
167 H ASN 17 HN ASN 17 -1.197 -8.980 -2.455
168 HA ASN 17 HA ASN 17 -2.697 -11.293 -3.170
169 1HB ASN 17 HB2 ASN 17 -2.142 -8.681 -4.293
170 2HB ASN 17 HB1 ASN 17 -2.052 -9.928 -5.534
171 1HD2 ASN 17 HD21 ASN 17 -3.886 -9.881 -6.613
172 2HD2 ASN 17 HD22 ASN 17 -5.469 -9.851 -5.922
173 H TRP 18 HN TRP 18 0.612 -10.281 -3.595
174 HA TRP 18 HA TRP 18 1.238 -12.239 -5.598
175 1HB TRP 18 HB2 TRP 18 2.462 -9.944 -4.670
176 2HB TRP 18 HB1 TRP 18 3.495 -11.221 -4.035
177 HD1 TRP 18 HD1 TRP 18 5.469 -11.583 -5.607
178 HE1 TRP 18 HE1 TRP 18 5.827 -11.626 -8.155
179 HE3 TRP 18 HE3 TRP 18 0.714 -10.463 -7.113
180 HZ2 TRP 18 HZ2 TRP 18 4.296 -11.237 -10.495
181 HZ3 TRP 18 HZ3 TRP 18 0.244 -10.317 -9.524
182 HH2 TRP 18 HH2 TRP 18 1.999 -10.695 -11.178
183 H LYS 19 HN LYS 19 1.305 -12.075 -2.110
184 HA LYS 19 HA LYS 19 2.909 -14.430 -1.767
185 1HB LYS 19 HB2 LYS 19 2.753 -12.588 -0.084
186 2HB LYS 19 HB1 LYS 19 1.097 -13.081 0.240
187 1HG LYS 19 HG2 LYS 19 2.197 -15.413 0.685
188 2HG LYS 19 HG1 LYS 19 3.652 -14.444 0.930
189 1HD LYS 19 HD2 LYS 19 2.584 -14.748 3.055
190 2HD LYS 19 HD1 LYS 19 2.375 -13.065 2.568
191 1HE LYS 19 HE2 LYS 19 0.176 -13.281 2.770
192 2HE LYS 19 HE1 LYS 19 0.185 -14.543 1.539
193 1HZ LYS 19 HZ1 LYS 19 -0.725 -15.053 3.889
194 2HZ LYS 19 HZ2 LYS 19 0.904 -15.208 4.313
195 3HZ LYS 19 HZ3 LYS 19 0.247 -16.200 3.112
196 1HN NH2 20 NH1 NH2 20 2.278 -16.489 -1.481
197 2HN NH2 20 NH2 NH2 20 0.644 -17.044 -1.554
Start of MODEL 18
1 1H ALA 1 HT1 ALA 1 2.631 15.532 7.198
2 2H ALA 1 HT2 ALA 1 3.101 14.164 6.274
3 3H ALA 1 HT3 ALA 1 3.396 14.204 7.964
4 HA ALA 1 HA ALA 1 1.548 12.805 7.395
5 1HB ALA 1 HB1 ALA 1 0.226 13.490 9.167
6 2HB ALA 1 HB2 ALA 1 0.454 15.202 8.809
7 3HB ALA 1 HB3 ALA 1 1.769 14.268 9.521
8 H LYS 2 HN LYS 2 1.676 13.782 4.926
9 HA LYS 2 HA LYS 2 -0.765 15.288 4.378
10 1HB LYS 2 HB2 LYS 2 0.071 15.370 2.056
11 2HB LYS 2 HB1 LYS 2 1.235 16.010 3.208
12 1HG LYS 2 HG2 LYS 2 2.550 14.012 3.085
13 2HG LYS 2 HG1 LYS 2 1.326 13.216 2.094
14 1HD LYS 2 HD2 LYS 2 2.420 15.789 1.104
15 2HD LYS 2 HD1 LYS 2 3.483 14.381 1.048
16 1HE LYS 2 HE2 LYS 2 2.181 13.286 -0.485
17 2HE LYS 2 HE1 LYS 2 0.701 14.088 0.039
18 1HZ LYS 2 HZ1 LYS 2 2.884 15.334 -1.544
19 2HZ LYS 2 HZ2 LYS 2 1.480 16.121 -1.026
20 3HZ LYS 2 HZ3 LYS 2 1.376 14.853 -2.141
21 H LYS 3 HN LYS 3 -1.479 12.940 5.402
22 HA LYS 3 HA LYS 3 -2.540 10.933 5.070
23 1HB LYS 3 HB2 LYS 3 -4.332 11.027 3.458
24 2HB LYS 3 HB1 LYS 3 -4.171 12.610 4.206
25 1HG LYS 3 HG2 LYS 3 -3.207 13.543 2.281
26 2HG LYS 3 HG1 LYS 3 -2.886 11.957 1.575
27 1HD LYS 3 HD2 LYS 3 -5.050 11.670 0.893
28 2HD LYS 3 HD1 LYS 3 -5.706 12.669 2.192
29 1HE LYS 3 HE2 LYS 3 -4.536 14.619 0.970
30 2HE LYS 3 HE1 LYS 3 -4.471 13.517 -0.404
31 1HZ LYS 3 HZ1 LYS 3 -7.051 13.771 0.910
32 2HZ LYS 3 HZ2 LYS 3 -6.680 13.661 -0.736
33 3HZ LYS 3 HZ3 LYS 3 -6.514 15.139 0.070
34 H VAL 4 HN VAL 4 0.089 10.914 4.148
35 HA VAL 4 HA VAL 4 0.308 9.682 1.586
36 HB VAL 4 HB VAL 4 2.139 9.305 3.970
37 1HG1 VAL 4 HG11 VAL 4 2.962 7.751 2.551
38 2HG1 VAL 4 HG12 VAL 4 3.734 9.155 1.814
39 3HG1 VAL 4 HG13 VAL 4 2.242 8.508 1.130
40 1HG2 VAL 4 HG21 VAL 4 1.958 11.658 3.554
41 2HG2 VAL 4 HG22 VAL 4 2.159 11.416 1.818
42 3HG2 VAL 4 HG23 VAL 4 3.505 11.104 2.914
43 H PHE 5 HN PHE 5 -0.963 8.809 4.544
44 HA PHE 5 HA PHE 5 -0.581 6.187 5.003
45 1HB PHE 5 HB2 PHE 5 -1.997 7.802 6.293
46 2HB PHE 5 HB1 PHE 5 -3.243 7.606 5.072
47 HD1 PHE 5 HD1 PHE 5 -4.633 5.665 5.015
48 HD2 PHE 5 HD2 PHE 5 -1.423 5.936 7.796
49 HE1 PHE 5 HE1 PHE 5 -5.535 3.731 6.238
50 HE2 PHE 5 HE2 PHE 5 -2.319 4.001 9.024
51 HZ PHE 5 HZ PHE 5 -4.377 2.896 8.245
52 H LYS 6 HN LYS 6 -2.288 7.589 2.396
53 HA LYS 6 HA LYS 6 -3.751 5.310 1.563
54 1HB LYS 6 HB2 LYS 6 -3.705 7.942 0.813
55 2HB LYS 6 HB1 LYS 6 -2.904 7.177 -0.553
56 1HG LYS 6 HG2 LYS 6 -5.598 6.377 0.527
57 2HG LYS 6 HG1 LYS 6 -5.335 7.431 -0.864
58 1HD LYS 6 HD2 LYS 6 -4.325 5.675 -2.108
59 2HD LYS 6 HD1 LYS 6 -4.229 4.635 -0.685
60 1HE LYS 6 HE2 LYS 6 -6.884 5.622 -1.639
61 2HE LYS 6 HE1 LYS 6 -6.111 4.262 -2.450
62 1HZ LYS 6 HZ1 LYS 6 -6.407 2.914 -0.675
63 2HZ LYS 6 HZ2 LYS 6 -7.708 3.954 -0.381
64 3HZ LYS 6 HZ3 LYS 6 -6.256 4.159 0.461
65 H ARG 7 HN ARG 7 -0.566 6.599 0.753
66 HA ARG 7 HA ARG 7 0.060 4.777 -1.297
67 1HB ARG 7 HB2 ARG 7 1.633 6.546 0.519
68 2HB ARG 7 HB1 ARG 7 2.493 5.290 -0.361
69 1HG ARG 7 HG2 ARG 7 0.752 6.656 -2.162
70 2HG ARG 7 HG1 ARG 7 1.713 7.839 -1.271
71 1HD ARG 7 HD2 ARG 7 3.227 5.513 -2.212
72 2HD ARG 7 HD1 ARG 7 2.538 6.498 -3.501
73 HE ARG 7 HE ARG 7 3.790 8.185 -1.645
74 1HH1 ARG 7 HH11 ARG 7 4.608 5.775 -4.032
75 2HH1 ARG 7 HH12 ARG 7 6.164 6.457 -4.369
76 1HH2 ARG 7 HH21 ARG 7 5.836 9.083 -2.087
77 2HH2 ARG 7 HH22 ARG 7 6.862 8.334 -3.265
78 H LEU 8 HN LEU 8 0.213 4.579 2.196
79 HA LEU 8 HA LEU 8 1.813 2.261 2.387
80 1HB LEU 8 HB2 LEU 8 0.702 4.015 4.171
81 2HB LEU 8 HB1 LEU 8 -0.275 2.582 4.432
82 HG LEU 8 HG LEU 8 1.882 1.302 4.757
83 1HD1 LEU 8 HD11 LEU 8 3.146 3.345 3.667
84 2HD1 LEU 8 HD12 LEU 8 3.910 2.339 4.897
85 3HD1 LEU 8 HD13 LEU 8 3.209 3.895 5.341
86 1HD2 LEU 8 HD21 LEU 8 2.279 2.668 7.028
87 2HD2 LEU 8 HD22 LEU 8 0.902 1.595 6.774
88 3HD2 LEU 8 HD23 LEU 8 0.716 3.335 6.555
89 H GLU 9 HN GLU 9 -1.662 2.764 2.028
90 HA GLU 9 HA GLU 9 -2.409 0.053 2.363
91 1HB GLU 9 HB2 GLU 9 -3.694 2.536 1.414
92 2HB GLU 9 HB1 GLU 9 -4.361 1.053 0.745
93 1HG GLU 9 HG2 GLU 9 -3.961 0.863 3.605
94 2HG GLU 9 HG1 GLU 9 -5.003 2.216 3.168
95 H LYS 10 HN LYS 10 -1.201 1.911 -0.325
96 HA LYS 10 HA LYS 10 -1.899 0.060 -2.368
97 1HB LYS 10 HB2 LYS 10 -1.268 2.498 -2.689
98 2HB LYS 10 HB1 LYS 10 0.403 2.014 -2.429
99 1HG LYS 10 HG2 LYS 10 -0.291 0.262 -4.345
100 2HG LYS 10 HG1 LYS 10 -1.347 1.613 -4.762
101 1HD LYS 10 HD2 LYS 10 0.474 3.078 -5.059
102 2HD LYS 10 HD1 LYS 10 1.591 1.981 -4.246
103 1HE LYS 10 HE2 LYS 10 1.220 0.355 -6.107
104 2HE LYS 10 HE1 LYS 10 0.290 1.601 -6.938
105 1HZ LYS 10 HZ1 LYS 10 2.526 2.933 -6.404
106 2HZ LYS 10 HZ2 LYS 10 2.287 2.061 -7.833
107 3HZ LYS 10 HZ3 LYS 10 3.160 1.372 -6.559
108 H LEU 11 HN LEU 11 0.929 0.532 -0.311
109 HA LEU 11 HA LEU 11 2.562 -1.406 -1.580
110 1HB LEU 11 HB2 LEU 11 2.604 0.092 0.980
111 2HB LEU 11 HB1 LEU 11 3.532 -1.395 0.931
112 HG LEU 11 HG LEU 11 4.442 -0.285 -1.325
113 1HD1 LEU 11 HD11 LEU 11 4.828 2.204 -0.427
114 2HD1 LEU 11 HD12 LEU 11 3.218 1.909 0.229
115 3HD1 LEU 11 HD13 LEU 11 3.504 1.764 -1.506
116 1HD2 LEU 11 HD21 LEU 11 6.403 0.204 -0.161
117 2HD2 LEU 11 HD22 LEU 11 5.624 -1.031 0.829
118 3HD2 LEU 11 HD23 LEU 11 5.532 0.666 1.302
119 H PHE 12 HN PHE 12 0.170 -1.540 0.991
120 HA PHE 12 HA PHE 12 0.719 -4.217 1.777
121 1HB PHE 12 HB2 PHE 12 -0.876 -2.185 2.746
122 2HB PHE 12 HB1 PHE 12 -2.056 -3.333 2.124
123 HD1 PHE 12 HD1 PHE 12 -2.648 -5.202 3.371
124 HD2 PHE 12 HD2 PHE 12 0.902 -3.070 4.351
125 HE1 PHE 12 HE1 PHE 12 -2.401 -6.559 5.408
126 HE2 PHE 12 HE2 PHE 12 1.156 -4.423 6.391
127 HZ PHE 12 HZ PHE 12 -0.496 -6.171 6.921
128 H SER 13 HN SER 13 -1.173 -2.740 -0.745
129 HA SER 13 HA SER 13 -2.742 -5.015 -1.399
130 1HB SER 13 HB2 SER 13 -2.822 -2.412 -2.152
131 2HB SER 13 HB1 SER 13 -2.053 -3.121 -3.572
132 HG SER 13 HG SER 13 -3.859 -4.699 -3.452
133 H LYS 14 HN LYS 14 0.457 -3.895 -2.283
134 HA LYS 14 HA LYS 14 0.843 -5.680 -4.459
135 1HB LYS 14 HB2 LYS 14 2.270 -3.581 -3.313
136 2HB LYS 14 HB1 LYS 14 3.285 -4.988 -3.029
137 1HG LYS 14 HG2 LYS 14 3.734 -5.285 -5.233
138 2HG LYS 14 HG1 LYS 14 2.170 -4.652 -5.751
139 1HD LYS 14 HD2 LYS 14 2.899 -2.387 -5.271
140 2HD LYS 14 HD1 LYS 14 4.439 -2.990 -4.656
141 1HE LYS 14 HE2 LYS 14 5.164 -3.641 -6.781
142 2HE LYS 14 HE1 LYS 14 3.533 -3.596 -7.450
143 1HZ LYS 14 HZ1 LYS 14 3.644 -1.390 -7.805
144 2HZ LYS 14 HZ2 LYS 14 5.314 -1.662 -7.810
145 3HZ LYS 14 HZ3 LYS 14 4.557 -1.082 -6.413
146 H ILE 15 HN ILE 15 1.549 -5.844 -0.999
147 HA ILE 15 HA ILE 15 2.886 -8.348 -1.099
148 HB ILE 15 HB ILE 15 1.381 -7.192 1.253
149 1HG1 ILE 15 HG12 ILE 15 4.261 -6.758 0.427
150 2HG1 ILE 15 HG11 ILE 15 2.981 -5.553 0.348
151 1HG2 ILE 15 HG21 ILE 15 2.584 -8.634 2.611
152 2HG2 ILE 15 HG22 ILE 15 3.829 -8.906 1.392
153 3HG2 ILE 15 HG23 ILE 15 2.234 -9.633 1.200
154 1HD1 ILE 15 HD11 ILE 15 4.513 -6.547 2.661
155 2HD1 ILE 15 HD12 ILE 15 2.808 -6.190 2.934
156 3HD1 ILE 15 HD13 ILE 15 3.883 -4.936 2.317
157 H TRP 16 HN TRP 16 -0.453 -7.365 -0.931
158 HA TRP 16 HA TRP 16 -1.516 -9.890 -0.161
159 1HB TRP 16 HB2 TRP 16 -2.523 -7.285 -0.665
160 2HB TRP 16 HB1 TRP 16 -3.398 -8.387 -1.724
161 HD1 TRP 16 HD1 TRP 16 -2.251 -8.947 1.943
162 HE1 TRP 16 HE1 TRP 16 -4.323 -9.586 3.328
163 HE3 TRP 16 HE3 TRP 16 -5.823 -8.503 -1.688
164 HZ2 TRP 16 HZ2 TRP 16 -7.104 -9.865 2.934
165 HZ3 TRP 16 HZ3 TRP 16 -8.165 -8.975 -1.101
166 HH2 TRP 16 HH2 TRP 16 -8.791 -9.642 1.163
167 H ASN 17 HN ASN 17 -0.575 -8.418 -3.182
168 HA ASN 17 HA ASN 17 -1.919 -10.260 -4.888
169 1HB ASN 17 HB2 ASN 17 -0.010 -8.050 -5.184
170 2HB ASN 17 HB1 ASN 17 0.210 -9.336 -6.367
171 1HD2 ASN 17 HD21 ASN 17 -2.136 -7.099 -5.007
172 2HD2 ASN 17 HD22 ASN 17 -3.149 -7.025 -6.404
173 H TRP 18 HN TRP 18 1.175 -10.221 -3.255
174 HA TRP 18 HA TRP 18 2.159 -12.525 -4.710
175 1HB TRP 18 HB2 TRP 18 3.542 -10.549 -3.708
176 2HB TRP 18 HB1 TRP 18 3.424 -11.462 -2.206
177 HD1 TRP 18 HD1 TRP 18 5.095 -11.527 -5.629
178 HE1 TRP 18 HE1 TRP 18 6.914 -13.349 -5.633
179 HE3 TRP 18 HE3 TRP 18 4.049 -13.730 -1.135
180 HZ2 TRP 18 HZ2 TRP 18 7.790 -15.442 -3.953
181 HZ3 TRP 18 HZ3 TRP 18 5.424 -15.637 -0.408
182 HH2 TRP 18 HH2 TRP 18 7.255 -16.474 -1.789
183 H LYS 19 HN LYS 19 0.596 -11.817 -1.673
184 HA LYS 19 HA LYS 19 1.165 -14.176 -0.280
185 1HB LYS 19 HB2 LYS 19 -0.874 -12.043 -0.118
186 2HB LYS 19 HB1 LYS 19 -1.322 -13.576 0.618
187 1HG LYS 19 HG2 LYS 19 0.962 -13.427 1.799
188 2HG LYS 19 HG1 LYS 19 0.915 -11.725 1.337
189 1HD LYS 19 HD2 LYS 19 -1.177 -11.427 2.519
190 2HD LYS 19 HD1 LYS 19 -1.238 -13.149 2.900
191 1HE LYS 19 HE2 LYS 19 0.290 -12.972 4.559
192 2HE LYS 19 HE1 LYS 19 1.213 -11.726 3.720
193 1HZ LYS 19 HZ1 LYS 19 -1.437 -11.135 4.880
194 2HZ LYS 19 HZ2 LYS 19 -0.189 -10.062 4.490
195 3HZ LYS 19 HZ3 LYS 19 -0.040 -11.081 5.832
196 1HN NH2 20 NH1 NH2 20 -1.338 -13.425 -2.629
197 2HN NH2 20 NH2 NH2 20 -1.915 -15.042 -2.822
Start of MODEL 19
1 1H ALA 1 HT1 ALA 1 -3.309 14.641 5.528
2 2H ALA 1 HT2 ALA 1 -4.673 15.621 5.174
3 3H ALA 1 HT3 ALA 1 -3.218 16.340 5.730
4 HA ALA 1 HA ALA 1 -3.824 15.128 3.139
5 1HB ALA 1 HB1 ALA 1 -2.896 17.798 4.132
6 2HB ALA 1 HB2 ALA 1 -4.278 17.410 3.108
7 3HB ALA 1 HB3 ALA 1 -2.642 17.308 2.457
8 H LYS 2 HN LYS 2 -1.303 15.732 5.487
9 HA LYS 2 HA LYS 2 0.762 14.851 3.621
10 1HB LYS 2 HB2 LYS 2 0.690 16.528 5.968
11 2HB LYS 2 HB1 LYS 2 1.891 15.262 6.170
12 1HG LYS 2 HG2 LYS 2 3.295 16.476 4.969
13 2HG LYS 2 HG1 LYS 2 2.248 16.231 3.569
14 1HD LYS 2 HD2 LYS 2 1.053 18.245 4.014
15 2HD LYS 2 HD1 LYS 2 1.830 18.429 5.587
16 1HE LYS 2 HE2 LYS 2 3.984 18.321 3.930
17 2HE LYS 2 HE1 LYS 2 2.798 19.128 2.905
18 1HZ LYS 2 HZ1 LYS 2 2.786 20.956 4.203
19 2HZ LYS 2 HZ2 LYS 2 4.334 20.421 4.624
20 3HZ LYS 2 HZ3 LYS 2 3.022 20.096 5.641
21 H LYS 3 HN LYS 3 -0.996 12.850 4.091
22 HA LYS 3 HA LYS 3 0.679 10.912 5.493
23 1HB LYS 3 HB2 LYS 3 -1.064 11.820 7.114
24 2HB LYS 3 HB1 LYS 3 -2.280 11.067 6.092
25 1HG LYS 3 HG2 LYS 3 -1.499 8.902 6.577
26 2HG LYS 3 HG1 LYS 3 0.000 9.517 7.277
27 1HD LYS 3 HD2 LYS 3 -1.089 10.294 9.204
28 2HD LYS 3 HD1 LYS 3 -2.680 10.199 8.447
29 1HE LYS 3 HE2 LYS 3 -2.403 8.392 10.040
30 2HE LYS 3 HE1 LYS 3 -2.496 7.750 8.400
31 1HZ LYS 3 HZ1 LYS 3 -0.377 7.032 8.465
32 2HZ LYS 3 HZ2 LYS 3 -0.628 7.035 10.137
33 3HZ LYS 3 HZ3 LYS 3 0.171 8.330 9.401
34 H VAL 4 HN VAL 4 0.269 11.319 2.773
35 HA VAL 4 HA VAL 4 -1.644 9.527 1.670
36 HB VAL 4 HB VAL 4 1.050 10.193 0.464
37 1HG1 VAL 4 HG11 VAL 4 -0.823 8.450 -0.413
38 2HG1 VAL 4 HG12 VAL 4 0.289 9.323 -1.467
39 3HG1 VAL 4 HG13 VAL 4 -1.348 9.930 -1.217
40 1HG2 VAL 4 HG21 VAL 4 -0.585 11.932 -0.754
41 2HG2 VAL 4 HG22 VAL 4 0.349 12.335 0.687
42 3HG2 VAL 4 HG23 VAL 4 -1.348 11.880 0.835
43 H PHE 5 HN PHE 5 1.182 9.205 3.443
44 HA PHE 5 HA PHE 5 2.477 6.959 2.727
45 1HB PHE 5 HB2 PHE 5 2.929 8.491 4.672
46 2HB PHE 5 HB1 PHE 5 1.659 7.652 5.546
47 HD1 PHE 5 HD1 PHE 5 4.750 6.835 3.613
48 HD2 PHE 5 HD2 PHE 5 2.299 5.985 6.986
49 HE1 PHE 5 HE1 PHE 5 6.385 5.160 4.374
50 HE2 PHE 5 HE2 PHE 5 3.929 4.309 7.754
51 HZ PHE 5 HZ PHE 5 5.975 3.896 6.447
52 H LYS 6 HN LYS 6 -0.680 7.197 4.014
53 HA LYS 6 HA LYS 6 -1.032 4.519 4.844
54 1HB LYS 6 HB2 LYS 6 -2.587 6.872 4.802
55 2HB LYS 6 HB1 LYS 6 -3.496 5.676 3.889
56 1HG LYS 6 HG2 LYS 6 -3.886 4.380 5.705
57 2HG LYS 6 HG1 LYS 6 -2.354 4.803 6.473
58 1HD LYS 6 HD2 LYS 6 -3.693 6.002 7.843
59 2HD LYS 6 HD1 LYS 6 -3.590 7.194 6.546
60 1HE LYS 6 HE2 LYS 6 -5.692 6.598 5.685
61 2HE LYS 6 HE1 LYS 6 -5.730 5.088 6.595
62 1HZ LYS 6 HZ1 LYS 6 -6.326 6.149 8.511
63 2HZ LYS 6 HZ2 LYS 6 -7.085 7.156 7.383
64 3HZ LYS 6 HZ3 LYS 6 -5.612 7.619 8.073
65 H ARG 7 HN ARG 7 -1.653 6.206 1.796
66 HA ARG 7 HA ARG 7 -2.866 4.063 0.440
67 1HB ARG 7 HB2 ARG 7 -1.667 6.645 -0.281
68 2HB ARG 7 HB1 ARG 7 -1.537 5.423 -1.540
69 1HG ARG 7 HG2 ARG 7 -3.669 5.661 -2.093
70 2HG ARG 7 HG1 ARG 7 -4.188 5.448 -0.420
71 1HD ARG 7 HD2 ARG 7 -4.922 7.579 -0.782
72 2HD ARG 7 HD1 ARG 7 -3.295 7.921 -0.195
73 HE ARG 7 HE ARG 7 -2.942 7.748 -2.862
74 1HH1 ARG 7 HH11 ARG 7 -5.192 9.544 -0.888
75 2HH1 ARG 7 HH12 ARG 7 -5.333 10.849 -2.017
76 1HH2 ARG 7 HH21 ARG 7 -3.126 9.467 -4.347
77 2HH2 ARG 7 HH22 ARG 7 -4.161 10.806 -3.980
78 H LEU 8 HN LEU 8 0.489 4.911 1.017
79 HA LEU 8 HA LEU 8 1.659 3.114 -0.817
80 1HB LEU 8 HB2 LEU 8 2.588 4.552 1.629
81 2HB LEU 8 HB1 LEU 8 3.584 3.257 0.993
82 HG LEU 8 HG LEU 8 2.721 5.233 -1.011
83 1HD1 LEU 8 HD11 LEU 8 4.529 5.995 1.272
84 2HD1 LEU 8 HD12 LEU 8 3.050 6.800 0.748
85 3HD1 LEU 8 HD13 LEU 8 4.487 6.846 -0.273
86 1HD2 LEU 8 HD21 LEU 8 4.417 3.262 -1.145
87 2HD2 LEU 8 HD22 LEU 8 5.526 4.412 -0.398
88 3HD2 LEU 8 HD23 LEU 8 4.779 4.788 -1.951
89 H GLU 9 HN GLU 9 0.617 2.788 2.537
90 HA GLU 9 HA GLU 9 1.659 0.178 2.925
91 1HB GLU 9 HB2 GLU 9 -0.560 1.695 4.306
92 2HB GLU 9 HB1 GLU 9 -0.022 0.101 4.817
93 1HG GLU 9 HG2 GLU 9 1.936 2.341 4.559
94 2HG GLU 9 HG1 GLU 9 0.915 2.203 5.989
95 H LYS 10 HN LYS 10 -1.256 1.450 1.505
96 HA LYS 10 HA LYS 10 -2.725 -0.988 1.494
97 1HB LYS 10 HB2 LYS 10 -2.973 1.655 0.115
98 2HB LYS 10 HB1 LYS 10 -3.907 0.295 -0.491
99 1HG LYS 10 HG2 LYS 10 -4.616 0.049 2.013
100 2HG LYS 10 HG1 LYS 10 -4.126 1.742 2.102
101 1HD LYS 10 HD2 LYS 10 -5.612 1.826 -0.129
102 2HD LYS 10 HD1 LYS 10 -6.414 0.492 0.703
103 1HE LYS 10 HE2 LYS 10 -7.580 2.359 1.447
104 2HE LYS 10 HE1 LYS 10 -6.425 2.061 2.745
105 1HZ LYS 10 HZ1 LYS 10 -6.225 4.110 0.608
106 2HZ LYS 10 HZ2 LYS 10 -4.970 3.749 1.682
107 3HZ LYS 10 HZ3 LYS 10 -6.428 4.377 2.267
108 H LEU 11 HN LEU 11 -0.497 0.587 -0.734
109 HA LEU 11 HA LEU 11 -0.885 -1.213 -2.891
110 1HB LEU 11 HB2 LEU 11 0.646 1.101 -2.385
111 2HB LEU 11 HB1 LEU 11 1.794 -0.150 -2.822
112 HG LEU 11 HG LEU 11 -0.573 0.720 -4.482
113 1HD1 LEU 11 HD11 LEU 11 2.349 1.070 -5.092
114 2HD1 LEU 11 HD12 LEU 11 1.385 2.308 -4.288
115 3HD1 LEU 11 HD13 LEU 11 0.965 1.784 -5.919
116 1HD2 LEU 11 HD21 LEU 11 0.148 -0.801 -6.138
117 2HD2 LEU 11 HD22 LEU 11 0.110 -1.711 -4.628
118 3HD2 LEU 11 HD23 LEU 11 1.649 -1.144 -5.277
119 H PHE 12 HN PHE 12 1.185 -1.211 -0.058
120 HA PHE 12 HA PHE 12 2.817 -3.396 -0.867
121 1HB PHE 12 HB2 PHE 12 2.922 -1.589 1.181
122 2HB PHE 12 HB1 PHE 12 2.387 -3.037 2.029
123 HD1 PHE 12 HD1 PHE 12 3.843 -4.904 2.335
124 HD2 PHE 12 HD2 PHE 12 5.086 -1.545 0.036
125 HE1 PHE 12 HE1 PHE 12 6.162 -5.726 2.393
126 HE2 PHE 12 HE2 PHE 12 7.406 -2.361 0.090
127 HZ PHE 12 HZ PHE 12 7.947 -4.455 1.269
128 H SER 13 HN SER 13 -0.273 -3.086 0.735
129 HA SER 13 HA SER 13 -0.460 -5.759 1.666
130 1HB SER 13 HB2 SER 13 -1.966 -3.491 2.005
131 2HB SER 13 HB1 SER 13 -2.996 -4.448 0.942
132 HG SER 13 HG SER 13 -2.417 -4.802 3.576
133 H LYS 14 HN LYS 14 -1.138 -4.174 -1.377
134 HA LYS 14 HA LYS 14 -2.656 -6.259 -2.548
135 1HB LYS 14 HB2 LYS 14 -2.242 -3.769 -3.304
136 2HB LYS 14 HB1 LYS 14 -0.903 -4.479 -4.195
137 1HG LYS 14 HG2 LYS 14 -2.274 -5.129 -5.802
138 2HG LYS 14 HG1 LYS 14 -3.243 -6.045 -4.646
139 1HD LYS 14 HD2 LYS 14 -3.662 -3.138 -4.578
140 2HD LYS 14 HD1 LYS 14 -4.145 -3.920 -6.084
141 1HE LYS 14 HE2 LYS 14 -5.981 -3.789 -4.440
142 2HE LYS 14 HE1 LYS 14 -5.576 -5.446 -4.883
143 1HZ LYS 14 HZ1 LYS 14 -4.206 -4.360 -2.557
144 2HZ LYS 14 HZ2 LYS 14 -4.829 -5.910 -2.822
145 3HZ LYS 14 HZ3 LYS 14 -5.864 -4.648 -2.377
146 H ILE 15 HN ILE 15 0.780 -5.629 -2.254
147 HA ILE 15 HA ILE 15 1.657 -7.573 -4.121
148 HB ILE 15 HB ILE 15 3.156 -6.609 -1.682
149 1HG1 ILE 15 HG12 ILE 15 3.036 -5.413 -4.461
150 2HG1 ILE 15 HG11 ILE 15 2.361 -4.698 -3.001
151 1HG2 ILE 15 HG21 ILE 15 5.146 -7.154 -2.974
152 2HG2 ILE 15 HG22 ILE 15 4.140 -7.693 -4.319
153 3HG2 ILE 15 HG23 ILE 15 4.112 -8.572 -2.790
154 1HD1 ILE 15 HD11 ILE 15 4.312 -3.808 -2.432
155 2HD1 ILE 15 HD12 ILE 15 4.854 -4.219 -4.059
156 3HD1 ILE 15 HD13 ILE 15 5.176 -5.318 -2.717
157 H TRP 16 HN TRP 16 0.729 -7.689 -0.751
158 HA TRP 16 HA TRP 16 1.773 -10.269 -0.190
159 1HB TRP 16 HB2 TRP 16 0.852 -8.358 1.399
160 2HB TRP 16 HB1 TRP 16 -0.657 -9.248 1.219
161 HD1 TRP 16 HD1 TRP 16 -0.949 -10.599 3.374
162 HE1 TRP 16 HE1 TRP 16 0.532 -12.164 4.782
163 HE3 TRP 16 HE3 TRP 16 3.461 -10.032 0.850
164 HZ2 TRP 16 HZ2 TRP 16 3.215 -13.042 4.818
165 HZ3 TRP 16 HZ3 TRP 16 5.437 -11.269 1.636
166 HH2 TRP 16 HH2 TRP 16 5.315 -12.742 3.579
167 H ASN 17 HN ASN 17 -1.182 -9.085 -1.624
168 HA ASN 17 HA ASN 17 -2.642 -11.523 -1.440
169 1HB ASN 17 HB2 ASN 17 -3.419 -9.042 -1.960
170 2HB ASN 17 HB1 ASN 17 -3.181 -9.560 -3.626
171 1HD2 ASN 17 HD21 ASN 17 -5.184 -9.689 -0.878
172 2HD2 ASN 17 HD22 ASN 17 -6.401 -10.732 -1.524
173 H TRP 18 HN TRP 18 -0.345 -10.192 -3.711
174 HA TRP 18 HA TRP 18 -0.886 -12.113 -5.776
175 1HB TRP 18 HB2 TRP 18 0.700 -9.738 -5.482
176 2HB TRP 18 HB1 TRP 18 1.710 -11.031 -6.121
177 HD1 TRP 18 HD1 TRP 18 0.227 -8.308 -7.576
178 HE1 TRP 18 HE1 TRP 18 -0.828 -8.751 -9.881
179 HE3 TRP 18 HE3 TRP 18 -0.152 -13.400 -7.330
180 HZ2 TRP 18 HZ2 TRP 18 -1.705 -10.966 -11.395
181 HZ3 TRP 18 HZ3 TRP 18 -1.111 -14.606 -9.248
182 HH2 TRP 18 HH2 TRP 18 -1.872 -13.412 -11.238
183 H LYS 19 HN LYS 19 1.259 -11.882 -3.032
184 HA LYS 19 HA LYS 19 3.017 -13.985 -3.809
185 1HB LYS 19 HB2 LYS 19 3.450 -12.150 -2.085
186 2HB LYS 19 HB1 LYS 19 2.473 -13.105 -0.978
187 1HG LYS 19 HG2 LYS 19 4.058 -14.719 -0.748
188 2HG LYS 19 HG1 LYS 19 4.708 -14.470 -2.369
189 1HD LYS 19 HD2 LYS 19 5.897 -12.538 -1.697
190 2HD LYS 19 HD1 LYS 19 5.025 -12.446 -0.165
191 1HE LYS 19 HE2 LYS 19 6.215 -14.193 0.767
192 2HE LYS 19 HE1 LYS 19 6.645 -14.873 -0.801
193 1HZ LYS 19 HZ1 LYS 19 7.881 -12.646 0.660
194 2HZ LYS 19 HZ2 LYS 19 7.953 -12.653 -1.030
195 3HZ LYS 19 HZ3 LYS 19 8.614 -13.938 -0.151
196 1HN NH2 20 NH1 NH2 20 1.578 -15.642 -4.454
197 2HN NH2 20 NH2 NH2 20 0.779 -16.640 -3.293
Start of MODEL 20
1 1H ALA 1 HT1 ALA 1 -0.909 14.920 9.870
2 2H ALA 1 HT2 ALA 1 -2.009 13.670 10.286
3 3H ALA 1 HT3 ALA 1 -2.380 14.754 9.007
4 HA ALA 1 HA ALA 1 0.005 13.063 8.957
5 1HB ALA 1 HB1 ALA 1 -1.117 11.244 8.172
6 2HB ALA 1 HB2 ALA 1 -2.449 12.204 7.528
7 3HB ALA 1 HB3 ALA 1 -2.349 11.885 9.259
8 H LYS 2 HN LYS 2 0.928 12.971 6.899
9 HA LYS 2 HA LYS 2 0.123 15.170 5.138
10 1HB LYS 2 HB2 LYS 2 2.382 14.905 4.144
11 2HB LYS 2 HB1 LYS 2 2.425 15.266 5.865
12 1HG LYS 2 HG2 LYS 2 2.950 13.003 6.402
13 2HG LYS 2 HG1 LYS 2 2.674 12.489 4.736
14 1HD LYS 2 HD2 LYS 2 4.655 14.637 5.060
15 2HD LYS 2 HD1 LYS 2 5.108 13.092 5.784
16 1HE LYS 2 HE2 LYS 2 4.831 11.959 3.691
17 2HE LYS 2 HE1 LYS 2 4.146 13.402 2.945
18 1HZ LYS 2 HZ1 LYS 2 6.942 12.838 3.666
19 2HZ LYS 2 HZ2 LYS 2 6.409 14.441 3.587
20 3HZ LYS 2 HZ3 LYS 2 6.312 13.451 2.220
21 H LYS 3 HN LYS 3 -1.631 13.245 4.827
22 HA LYS 3 HA LYS 3 -2.540 11.644 3.458
23 1HB LYS 3 HB2 LYS 3 -2.416 12.169 1.113
24 2HB LYS 3 HB1 LYS 3 -2.454 13.679 2.013
25 1HG LYS 3 HG2 LYS 3 -0.148 14.065 1.640
26 2HG LYS 3 HG1 LYS 3 0.093 12.429 1.022
27 1HD LYS 3 HD2 LYS 3 0.037 13.844 -0.873
28 2HD LYS 3 HD1 LYS 3 -1.528 13.029 -0.826
29 1HE LYS 3 HE2 LYS 3 -1.392 15.584 0.627
30 2HE LYS 3 HE1 LYS 3 -1.201 15.702 -1.122
31 1HZ LYS 3 HZ1 LYS 3 -3.286 14.613 -1.440
32 2HZ LYS 3 HZ2 LYS 3 -3.529 15.883 -0.351
33 3HZ LYS 3 HZ3 LYS 3 -3.445 14.291 0.213
34 H VAL 4 HN VAL 4 -0.260 10.742 4.772
35 HA VAL 4 HA VAL 4 1.496 9.333 3.026
36 HB VAL 4 HB VAL 4 0.692 8.536 5.836
37 1HG1 VAL 4 HG11 VAL 4 3.165 7.919 4.223
38 2HG1 VAL 4 HG12 VAL 4 1.856 6.794 4.585
39 3HG1 VAL 4 HG13 VAL 4 2.866 7.421 5.888
40 1HG2 VAL 4 HG21 VAL 4 2.269 9.962 6.733
41 2HG2 VAL 4 HG22 VAL 4 1.623 10.936 5.412
42 3HG2 VAL 4 HG23 VAL 4 3.163 10.098 5.219
43 H PHE 5 HN PHE 5 -1.732 9.102 3.842
44 HA PHE 5 HA PHE 5 -2.523 6.540 3.904
45 1HB PHE 5 HB2 PHE 5 -3.946 8.591 3.996
46 2HB PHE 5 HB1 PHE 5 -3.793 8.721 2.251
47 HD1 PHE 5 HD1 PHE 5 -5.763 8.176 1.210
48 HD2 PHE 5 HD2 PHE 5 -4.517 5.882 4.571
49 HE1 PHE 5 HE1 PHE 5 -7.716 6.707 0.927
50 HE2 PHE 5 HE2 PHE 5 -6.467 4.409 4.293
51 HZ PHE 5 HZ PHE 5 -8.070 4.820 2.469
52 H LYS 6 HN LYS 6 -1.203 8.203 1.224
53 HA LYS 6 HA LYS 6 -2.017 6.419 -0.822
54 1HB LYS 6 HB2 LYS 6 -0.756 8.856 -0.776
55 2HB LYS 6 HB1 LYS 6 0.558 7.782 -1.234
56 1HG LYS 6 HG2 LYS 6 -0.171 7.909 -3.320
57 2HG LYS 6 HG1 LYS 6 -1.592 6.992 -2.817
58 1HD LYS 6 HD2 LYS 6 -1.399 9.989 -2.592
59 2HD LYS 6 HD1 LYS 6 -2.056 9.168 -4.009
60 1HE LYS 6 HE2 LYS 6 -3.319 8.020 -1.775
61 2HE LYS 6 HE1 LYS 6 -3.318 9.761 -1.499
62 1HZ LYS 6 HZ1 LYS 6 -5.176 8.539 -2.918
63 2HZ LYS 6 HZ2 LYS 6 -4.077 8.860 -4.163
64 3HZ LYS 6 HZ3 LYS 6 -4.695 10.130 -3.233
65 H ARG 7 HN ARG 7 0.869 6.633 1.213
66 HA ARG 7 HA ARG 7 2.279 4.517 -0.009
67 1HB ARG 7 HB2 ARG 7 2.392 5.637 2.794
68 2HB ARG 7 HB1 ARG 7 3.488 4.396 2.204
69 1HG ARG 7 HG2 ARG 7 4.766 6.224 1.803
70 2HG ARG 7 HG1 ARG 7 3.876 6.174 0.280
71 1HD ARG 7 HD2 ARG 7 2.457 7.638 2.352
72 2HD ARG 7 HD1 ARG 7 4.047 8.321 2.014
73 HE ARG 7 HE ARG 7 1.749 8.326 0.283
74 1HH1 ARG 7 HH11 ARG 7 5.230 8.541 0.429
75 2HH1 ARG 7 HH12 ARG 7 5.366 9.385 -1.076
76 1HH2 ARG 7 HH21 ARG 7 1.926 9.436 -1.697
77 2HH2 ARG 7 HH22 ARG 7 3.490 9.895 -2.283
78 H LEU 8 HN LEU 8 -0.306 4.637 2.317
79 HA LEU 8 HA LEU 8 -0.054 2.009 3.328
80 1HB LEU 8 HB2 LEU 8 -1.637 4.181 3.887
81 2HB LEU 8 HB1 LEU 8 -2.783 3.071 3.159
82 HG LEU 8 HG LEU 8 -1.228 1.613 5.055
83 1HD1 LEU 8 HD11 LEU 8 -1.155 4.193 5.839
84 2HD1 LEU 8 HD12 LEU 8 -1.166 2.822 6.949
85 3HD1 LEU 8 HD13 LEU 8 -2.667 3.672 6.583
86 1HD2 LEU 8 HD21 LEU 8 -3.647 1.738 6.170
87 2HD2 LEU 8 HD22 LEU 8 -3.300 0.739 4.759
88 3HD2 LEU 8 HD23 LEU 8 -4.060 2.317 4.556
89 H GLU 9 HN GLU 9 -1.838 3.384 0.583
90 HA GLU 9 HA GLU 9 -3.172 0.977 -0.091
91 1HB GLU 9 HB2 GLU 9 -3.776 2.037 -2.144
92 2HB GLU 9 HB1 GLU 9 -3.818 3.270 -0.893
93 1HG GLU 9 HG2 GLU 9 -2.277 4.502 -1.914
94 2HG GLU 9 HG1 GLU 9 -1.234 3.114 -2.207
95 H LYS 10 HN LYS 10 0.028 2.187 -0.685
96 HA LYS 10 HA LYS 10 0.672 0.425 -2.830
97 1HB LYS 10 HB2 LYS 10 1.949 2.487 -2.393
98 2HB LYS 10 HB1 LYS 10 2.492 1.825 -0.857
99 1HG LYS 10 HG2 LYS 10 3.040 0.267 -3.325
100 2HG LYS 10 HG1 LYS 10 3.990 1.723 -3.021
101 1HD LYS 10 HD2 LYS 10 3.753 0.096 -0.639
102 2HD LYS 10 HD1 LYS 10 4.442 -0.821 -1.980
103 1HE LYS 10 HE2 LYS 10 5.496 1.909 -1.570
104 2HE LYS 10 HE1 LYS 10 5.901 0.720 -0.334
105 1HZ LYS 10 HZ1 LYS 10 6.631 0.756 -3.183
106 2HZ LYS 10 HZ2 LYS 10 6.533 -0.724 -2.371
107 3HZ LYS 10 HZ3 LYS 10 7.606 0.466 -1.830
108 H LEU 11 HN LEU 11 1.029 0.308 0.683
109 HA LEU 11 HA LEU 11 2.498 -2.096 0.801
110 1HB LEU 11 HB2 LEU 11 0.655 -0.744 2.765
111 2HB LEU 11 HB1 LEU 11 1.499 -2.233 3.144
112 HG LEU 11 HG LEU 11 2.898 0.316 2.342
113 1HD1 LEU 11 HD11 LEU 11 3.507 0.101 4.914
114 2HD1 LEU 11 HD12 LEU 11 1.910 -0.646 4.967
115 3HD1 LEU 11 HD13 LEU 11 2.095 0.998 4.356
116 1HD2 LEU 11 HD21 LEU 11 4.232 -1.773 3.933
117 2HD2 LEU 11 HD22 LEU 11 4.847 -0.783 2.609
118 3HD2 LEU 11 HD23 LEU 11 3.859 -2.202 2.263
119 H PHE 12 HN PHE 12 -0.904 -1.392 0.438
120 HA PHE 12 HA PHE 12 -1.892 -3.973 1.049
121 1HB PHE 12 HB2 PHE 12 -3.301 -1.921 0.944
122 2HB PHE 12 HB1 PHE 12 -3.094 -1.903 -0.805
123 HD1 PHE 12 HD1 PHE 12 -4.502 -3.837 2.011
124 HD2 PHE 12 HD2 PHE 12 -4.428 -3.242 -2.202
125 HE1 PHE 12 HE1 PHE 12 -6.451 -5.320 1.772
126 HE2 PHE 12 HE2 PHE 12 -6.377 -4.724 -2.449
127 HZ PHE 12 HZ PHE 12 -7.391 -5.764 -0.461
128 H SER 13 HN SER 13 -0.570 -2.501 -1.842
129 HA SER 13 HA SER 13 -1.386 -4.490 -3.680
130 1HB SER 13 HB2 SER 13 -0.650 -2.429 -4.603
131 2HB SER 13 HB1 SER 13 0.864 -2.476 -3.698
132 HG SER 13 HG SER 13 1.411 -3.143 -5.697
133 H LYS 14 HN LYS 14 1.355 -4.187 -1.508
134 HA LYS 14 HA LYS 14 2.881 -6.324 -2.560
135 1HB LYS 14 HB2 LYS 14 2.825 -4.865 0.058
136 2HB LYS 14 HB1 LYS 14 3.789 -6.327 -0.101
137 1HG LYS 14 HG2 LYS 14 4.876 -5.236 -2.105
138 2HG LYS 14 HG1 LYS 14 4.081 -3.743 -1.601
139 1HD LYS 14 HD2 LYS 14 6.176 -3.585 -0.604
140 2HD LYS 14 HD1 LYS 14 5.162 -4.213 0.697
141 1HE LYS 14 HE2 LYS 14 6.126 -6.286 0.634
142 2HE LYS 14 HE1 LYS 14 6.529 -6.165 -1.078
143 1HZ LYS 14 HZ1 LYS 14 7.903 -4.689 1.103
144 2HZ LYS 14 HZ2 LYS 14 8.316 -4.659 -0.537
145 3HZ LYS 14 HZ3 LYS 14 8.494 -6.086 0.353
146 H ILE 15 HN ILE 15 0.205 -6.145 -0.321
147 HA ILE 15 HA ILE 15 0.440 -8.771 0.730
148 HB ILE 15 HB ILE 15 -2.094 -7.149 0.466
149 1HG1 ILE 15 HG12 ILE 15 -0.038 -7.144 2.688
150 2HG1 ILE 15 HG11 ILE 15 -0.337 -5.825 1.561
151 1HG2 ILE 15 HG21 ILE 15 -1.292 -9.372 2.336
152 2HG2 ILE 15 HG22 ILE 15 -2.501 -9.452 1.056
153 3HG2 ILE 15 HG23 ILE 15 -2.777 -8.430 2.466
154 1HD1 ILE 15 HD11 ILE 15 -1.467 -6.133 4.043
155 2HD1 ILE 15 HD12 ILE 15 -2.741 -6.669 2.947
156 3HD1 ILE 15 HD13 ILE 15 -2.038 -5.061 2.765
157 H TRP 16 HN TRP 16 -1.088 -7.401 -2.113
158 HA TRP 16 HA TRP 16 -2.606 -9.701 -2.807
159 1HB TRP 16 HB2 TRP 16 -2.270 -7.080 -3.808
160 2HB TRP 16 HB1 TRP 16 -1.851 -8.169 -5.127
161 HD1 TRP 16 HD1 TRP 16 -3.962 -7.992 -6.615
162 HE1 TRP 16 HE1 TRP 16 -6.464 -8.491 -6.275
163 HE3 TRP 16 HE3 TRP 16 -3.956 -8.764 -1.561
164 HZ2 TRP 16 HZ2 TRP 16 -8.205 -9.127 -4.146
165 HZ3 TRP 16 HZ3 TRP 16 -6.082 -9.313 -0.450
166 HH2 TRP 16 HH2 TRP 16 -8.161 -9.490 -1.717
167 H ASN 17 HN ASN 17 0.678 -8.661 -3.394
168 HA ASN 17 HA ASN 17 1.258 -10.598 -5.408
169 1HB ASN 17 HB2 ASN 17 2.524 -8.357 -4.532
170 2HB ASN 17 HB1 ASN 17 3.494 -9.603 -3.752
171 1HD2 ASN 17 HD21 ASN 17 4.569 -11.136 -5.051
172 2HD2 ASN 17 HD22 ASN 17 4.930 -10.804 -6.708
173 H TRP 18 HN TRP 18 1.274 -10.563 -1.929
174 HA TRP 18 HA TRP 18 2.838 -12.958 -1.646
175 1HB TRP 18 HB2 TRP 18 1.993 -10.902 0.058
176 2HB TRP 18 HB1 TRP 18 1.178 -12.346 0.649
177 HD1 TRP 18 HD1 TRP 18 4.752 -11.068 -0.084
178 HE1 TRP 18 HE1 TRP 18 6.383 -12.333 1.452
179 HE3 TRP 18 HE3 TRP 18 1.468 -14.345 2.064
180 HZ2 TRP 18 HZ2 TRP 18 6.291 -14.442 3.327
181 HZ3 TRP 18 HZ3 TRP 18 2.320 -15.954 3.720
182 HH2 TRP 18 HH2 TRP 18 4.682 -16.000 4.337
183 H LYS 19 HN LYS 19 -0.545 -12.143 -1.928
184 HA LYS 19 HA LYS 19 -1.458 -14.763 -1.127
185 1HB LYS 19 HB2 LYS 19 -2.776 -12.262 -2.116
186 2HB LYS 19 HB1 LYS 19 -3.667 -13.778 -2.137
187 1HG LYS 19 HG2 LYS 19 -2.459 -13.541 0.410
188 2HG LYS 19 HG1 LYS 19 -3.218 -11.994 0.032
189 1HD LYS 19 HD2 LYS 19 -4.959 -14.154 -0.721
190 2HD LYS 19 HD1 LYS 19 -4.458 -14.341 0.960
191 1HE LYS 19 HE2 LYS 19 -5.802 -11.962 -0.307
192 2HE LYS 19 HE1 LYS 19 -6.458 -13.035 0.929
193 1HZ LYS 19 HZ1 LYS 19 -4.620 -10.808 1.195
194 2HZ LYS 19 HZ2 LYS 19 -4.246 -12.165 2.133
195 3HZ LYS 19 HZ3 LYS 19 -5.754 -11.416 2.295
196 1HN NH2 20 NH1 NH2 20 -2.345 -16.327 -2.453
197 2HN NH2 20 NH2 NH2 20 -2.071 -16.379 -4.158
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