Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
531549 | 2l99 RC | 17441 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 14.507 20.568 -10.343
2 H2 LYS 1 H2 LYS 1 14.729 20.795 -12.006
3 H3 LYS 1 H3 LYS 1 15.104 19.300 -11.299
4 HA LYS 1 HA LYS 1 12.412 20.513 -11.558
5 HB2 LYS 1 HB2 LYS 1 13.622 18.029 -12.802
6 HB3 LYS 1 HB3 LYS 1 11.949 18.538 -12.974
7 HG2 LYS 1 HG2 LYS 1 14.364 20.049 -13.957
8 HG3 LYS 1 HG3 LYS 1 13.261 19.099 -14.952
9 HD2 LYS 1 HD2 LYS 1 11.418 20.605 -14.285
10 HD3 LYS 1 HD3 LYS 1 12.576 21.574 -13.369
11 HE2 LYS 1 HE2 LYS 1 13.840 21.963 -15.463
12 HE3 LYS 1 HE3 LYS 1 12.591 21.085 -16.344
13 HZ1 LYS 1 HZ1 LYS 1 12.175 23.419 -16.519
14 HZ2 LYS 1 HZ2 LYS 1 12.257 23.620 -14.837
15 HZ3 LYS 1 HZ3 LYS 1 10.977 22.748 -15.524
16 H LYS 2 H LYS 2 11.848 20.324 -9.401
17 HA LYS 2 HA LYS 2 12.060 17.663 -8.212
18 HB2 LYS 2 HB2 LYS 2 11.545 18.780 -6.074
19 HB3 LYS 2 HB3 LYS 2 12.979 19.427 -6.853
20 HG2 LYS 2 HG2 LYS 2 11.559 21.306 -7.709
21 HG3 LYS 2 HG3 LYS 2 10.252 20.695 -6.692
22 HD2 LYS 2 HD2 LYS 2 11.891 20.855 -4.753
23 HD3 LYS 2 HD3 LYS 2 12.927 21.782 -5.839
24 HE2 LYS 2 HE2 LYS 2 11.677 23.364 -4.597
25 HE3 LYS 2 HE3 LYS 2 10.963 23.319 -6.209
26 HZ1 LYS 2 HZ1 LYS 2 9.363 21.626 -5.183
27 HZ2 LYS 2 HZ2 LYS 2 9.143 23.260 -4.795
28 HZ3 LYS 2 HZ3 LYS 2 9.891 22.216 -3.686
29 H LEU 3 H LEU 3 10.422 16.375 -8.389
30 HA LEU 3 HA LEU 3 7.811 17.380 -9.104
31 HB2 LEU 3 HB2 LEU 3 8.948 14.598 -8.860
32 HB3 LEU 3 HB3 LEU 3 7.247 14.890 -9.158
33 HG LEU 3 HG LEU 3 7.955 16.178 -11.231
34 HD11 LEU 3 HD11 LEU 3 10.296 16.530 -10.642
35 HD12 LEU 3 HD12 LEU 3 10.137 15.655 -12.168
36 HD13 LEU 3 HD13 LEU 3 10.574 14.786 -10.694
37 HD21 LEU 3 HD21 LEU 3 8.272 14.120 -12.538
38 HD22 LEU 3 HD22 LEU 3 6.974 13.971 -11.353
39 HD23 LEU 3 HD23 LEU 3 8.545 13.228 -11.042
40 H LYS 4 H LYS 4 7.239 18.444 -7.202
41 HA LYS 4 HA LYS 4 7.235 17.225 -4.652
42 HB2 LYS 4 HB2 LYS 4 5.682 19.155 -4.075
43 HB3 LYS 4 HB3 LYS 4 7.284 19.564 -4.675
44 HG2 LYS 4 HG2 LYS 4 6.322 19.947 -6.911
45 HG3 LYS 4 HG3 LYS 4 4.720 19.605 -6.254
46 HD2 LYS 4 HD2 LYS 4 4.859 21.497 -4.782
47 HD3 LYS 4 HD3 LYS 4 6.539 21.785 -5.238
48 HE2 LYS 4 HE2 LYS 4 5.082 23.355 -6.375
49 HE3 LYS 4 HE3 LYS 4 5.817 22.254 -7.539
50 HZ1 LYS 4 HZ1 LYS 4 3.067 21.998 -6.444
51 HZ2 LYS 4 HZ2 LYS 4 3.775 20.991 -7.614
52 HZ3 LYS 4 HZ3 LYS 4 3.459 22.617 -7.974
53 H LEU 5 H LEU 5 5.211 16.674 -7.277
54 HA LEU 5 HA LEU 5 2.819 16.142 -5.785
55 HB2 LEU 5 HB2 LEU 5 1.915 15.206 -7.832
56 HB3 LEU 5 HB3 LEU 5 2.651 16.765 -8.132
57 HG LEU 5 HG LEU 5 4.151 14.220 -8.692
58 HD11 LEU 5 HD11 LEU 5 2.232 15.646 -10.533
59 HD12 LEU 5 HD12 LEU 5 2.045 14.019 -9.879
60 HD13 LEU 5 HD13 LEU 5 3.348 14.370 -11.014
61 HD21 LEU 5 HD21 LEU 5 4.291 17.006 -9.843
62 HD22 LEU 5 HD22 LEU 5 5.296 15.642 -10.328
63 HD23 LEU 5 HD23 LEU 5 5.427 16.297 -8.696
64 H ALA 6 H ALA 6 5.684 14.636 -5.802
65 HA ALA 6 HA ALA 6 4.945 11.891 -5.969
66 HB1 ALA 6 HB1 ALA 6 7.249 12.617 -6.292
67 HB2 ALA 6 HB2 ALA 6 7.141 11.464 -4.962
68 HB3 ALA 6 HB3 ALA 6 7.316 13.186 -4.624
69 H LEU 7 H LEU 7 4.614 14.303 -3.552
70 HA LEU 7 HA LEU 7 4.140 12.302 -1.468
71 HB2 LEU 7 HB2 LEU 7 4.255 15.317 -1.312
72 HB3 LEU 7 HB3 LEU 7 4.003 14.247 0.055
73 HG LEU 7 HG LEU 7 6.496 14.350 -1.651
74 HD11 LEU 7 HD11 LEU 7 6.239 16.327 -0.244
75 HD12 LEU 7 HD12 LEU 7 7.546 15.298 0.342
76 HD13 LEU 7 HD13 LEU 7 5.987 15.299 1.167
77 HD21 LEU 7 HD21 LEU 7 7.446 12.843 0.013
78 HD22 LEU 7 HD22 LEU 7 6.043 12.111 -0.765
79 HD23 LEU 7 HD23 LEU 7 5.897 12.782 0.856
80 H ALA 8 H ALA 8 2.412 13.337 -3.905
81 HA ALA 8 HA ALA 8 -0.026 13.906 -2.367
82 HB1 ALA 8 HB1 ALA 8 0.509 14.347 -5.302
83 HB2 ALA 8 HB2 ALA 8 0.592 15.583 -4.047
84 HB3 ALA 8 HB3 ALA 8 -0.951 14.817 -4.424
85 H LYS 9 H LYS 9 1.079 11.986 -5.177
86 HA LYS 9 HA LYS 9 -1.361 10.402 -4.965
87 HB2 LYS 9 HB2 LYS 9 0.733 10.594 -7.119
88 HB3 LYS 9 HB3 LYS 9 -0.529 9.369 -7.138
89 HG2 LYS 9 HG2 LYS 9 -0.992 12.345 -7.104
90 HG3 LYS 9 HG3 LYS 9 -1.098 11.302 -8.524
91 HD2 LYS 9 HD2 LYS 9 -2.897 10.032 -7.438
92 HD3 LYS 9 HD3 LYS 9 -2.793 11.092 -6.035
93 HE2 LYS 9 HE2 LYS 9 -3.481 11.969 -8.835
94 HE3 LYS 9 HE3 LYS 9 -4.650 11.679 -7.547
95 HZ1 LYS 9 HZ1 LYS 9 -2.530 13.762 -7.588
96 HZ2 LYS 9 HZ2 LYS 9 -3.516 13.428 -6.246
97 HZ3 LYS 9 HZ3 LYS 9 -4.208 14.006 -7.684
98 HA PRO 10 HA PRO 10 1.985 6.872 -4.681
99 HB2 PRO 10 HB2 PRO 10 4.356 8.384 -3.744
100 HB3 PRO 10 HB3 PRO 10 4.253 7.053 -4.901
101 HG2 PRO 10 HG2 PRO 10 4.705 9.545 -5.731
102 HG3 PRO 10 HG3 PRO 10 3.656 8.453 -6.657
103 HD2 PRO 10 HD2 PRO 10 2.901 10.675 -4.789
104 HD3 PRO 10 HD3 PRO 10 2.205 10.247 -6.367
105 H ALA 11 H ALA 11 2.087 9.656 -2.543
106 HA ALA 11 HA ALA 11 2.501 8.111 -0.160
107 HB1 ALA 11 HB1 ALA 11 3.292 10.414 -0.286
108 HB2 ALA 11 HB2 ALA 11 2.132 10.219 1.030
109 HB3 ALA 11 HB3 ALA 11 1.634 10.980 -0.481
110 H LEU 12 H LEU 12 -0.093 8.523 -2.175
111 HA LEU 12 HA LEU 12 -2.002 7.960 -0.000
112 HB2 LEU 12 HB2 LEU 12 -2.398 10.048 -1.346
113 HB3 LEU 12 HB3 LEU 12 -2.638 9.029 -2.750
114 HG LEU 12 HG LEU 12 -4.558 7.955 -1.609
115 HD11 LEU 12 HD11 LEU 12 -3.910 8.340 0.696
116 HD12 LEU 12 HD12 LEU 12 -5.502 9.026 0.382
117 HD13 LEU 12 HD13 LEU 12 -4.091 10.080 0.479
118 HD21 LEU 12 HD21 LEU 12 -6.088 9.848 -1.856
119 HD22 LEU 12 HD22 LEU 12 -4.919 9.774 -3.174
120 HD23 LEU 12 HD23 LEU 12 -4.712 10.952 -1.877
121 H LEU 13 H LEU 13 -0.145 6.478 -2.054
122 HA LEU 13 HA LEU 13 -1.977 4.231 -2.437
123 HB2 LEU 13 HB2 LEU 13 -1.893 5.437 -4.581
124 HB3 LEU 13 HB3 LEU 13 -0.143 5.346 -4.570
125 HG LEU 13 HG LEU 13 -0.304 2.869 -4.705
126 HD11 LEU 13 HD11 LEU 13 -2.445 1.858 -5.324
127 HD12 LEU 13 HD12 LEU 13 -3.247 3.410 -5.084
128 HD13 LEU 13 HD13 LEU 13 -2.507 2.583 -3.715
129 HD21 LEU 13 HD21 LEU 13 0.036 4.209 -6.710
130 HD22 LEU 13 HD22 LEU 13 -1.709 4.392 -6.901
131 HD23 LEU 13 HD23 LEU 13 -0.964 2.799 -7.056
132 H TRP 14 H TRP 14 -0.926 3.217 -0.709
133 HA TRP 14 HA TRP 14 1.938 3.239 -0.545
134 HB2 TRP 14 HB2 TRP 14 -0.096 1.759 1.132
135 HB3 TRP 14 HB3 TRP 14 1.612 1.958 1.522
136 HD1 TRP 14 HD1 TRP 14 2.412 4.427 2.302
137 HE1 TRP 14 HE1 TRP 14 1.095 6.412 3.286
138 HE3 TRP 14 HE3 TRP 14 -2.329 2.951 1.062
139 HZ2 TRP 14 HZ2 TRP 14 -1.583 7.228 3.507
140 HZ3 TRP 14 HZ3 TRP 14 -4.209 4.401 1.698
141 HH2 TRP 14 HH2 TRP 14 -3.842 6.494 2.895
142 H LYS 15 H LYS 15 -0.287 1.418 -2.211
143 HA LYS 15 HA LYS 15 0.773 -1.160 -2.051
144 HB2 LYS 15 HB2 LYS 15 -0.613 0.216 -4.355
145 HB3 LYS 15 HB3 LYS 15 -0.254 -1.503 -4.304
146 HG2 LYS 15 HG2 LYS 15 -2.059 -0.006 -2.420
147 HG3 LYS 15 HG3 LYS 15 -2.561 -1.100 -3.710
148 HD2 LYS 15 HD2 LYS 15 -1.262 -2.907 -2.550
149 HD3 LYS 15 HD3 LYS 15 -1.034 -1.789 -1.204
150 HE2 LYS 15 HE2 LYS 15 -3.659 -2.808 -2.279
151 HE3 LYS 15 HE3 LYS 15 -2.900 -3.262 -0.756
152 HZ1 LYS 15 HZ1 LYS 15 -3.909 -0.558 -1.469
153 HZ2 LYS 15 HZ2 LYS 15 -3.126 -0.953 -0.018
154 HZ3 LYS 15 HZ3 LYS 15 -4.630 -1.648 -0.389
155 H ALA 16 H ALA 16 1.583 1.585 -4.115
156 HA ALA 16 HA ALA 16 3.808 0.085 -5.284
157 HB1 ALA 16 HB1 ALA 16 2.364 1.313 -6.823
158 HB2 ALA 16 HB2 ALA 16 4.004 1.967 -6.839
159 HB3 ALA 16 HB3 ALA 16 2.722 2.817 -5.973
160 H LEU 17 H LEU 17 3.388 1.657 -2.523
161 HA LEU 17 HA LEU 17 5.896 3.183 -2.653
162 HB2 LEU 17 HB2 LEU 17 3.888 4.423 -1.922
163 HB3 LEU 17 HB3 LEU 17 3.688 3.296 -0.595
164 HG LEU 17 HG LEU 17 5.871 4.029 0.326
165 HD11 LEU 17 HD11 LEU 17 6.915 6.055 -0.551
166 HD12 LEU 17 HD12 LEU 17 5.752 6.089 -1.876
167 HD13 LEU 17 HD13 LEU 17 6.908 4.765 -1.753
168 HD21 LEU 17 HD21 LEU 17 5.097 6.207 1.123
169 HD22 LEU 17 HD22 LEU 17 3.793 5.019 1.131
170 HD23 LEU 17 HD23 LEU 17 3.870 6.238 -0.141
171 H ALA 18 H ALA 18 4.096 0.865 -0.646
172 HA ALA 18 HA ALA 18 6.210 0.389 1.172
173 HB1 ALA 18 HB1 ALA 18 3.866 -0.122 1.694
174 HB2 ALA 18 HB2 ALA 18 4.907 -1.530 1.911
175 HB3 ALA 18 HB3 ALA 18 3.885 -1.401 0.480
176 H LEU 19 H LEU 19 5.139 -1.235 -1.774
177 HA LEU 19 HA LEU 19 7.162 -3.248 -1.681
178 HB2 LEU 19 HB2 LEU 19 5.242 -2.321 -3.797
179 HB3 LEU 19 HB3 LEU 19 6.514 -3.461 -4.187
180 HG LEU 19 HG LEU 19 5.593 -5.004 -2.453
181 HD11 LEU 19 HD11 LEU 19 3.337 -3.010 -2.356
182 HD12 LEU 19 HD12 LEU 19 4.459 -3.380 -1.044
183 HD13 LEU 19 HD13 LEU 19 3.331 -4.610 -1.614
184 HD21 LEU 19 HD21 LEU 19 3.699 -4.153 -4.634
185 HD22 LEU 19 HD22 LEU 19 3.642 -5.690 -3.774
186 HD23 LEU 19 HD23 LEU 19 5.027 -5.301 -4.792
187 H LYS 20 H LYS 20 7.124 0.035 -2.579
188 HA LYS 20 HA LYS 20 9.423 -0.094 -4.313
189 HB2 LYS 20 HB2 LYS 20 7.699 1.718 -4.455
190 HB3 LYS 20 HB3 LYS 20 8.255 2.310 -2.898
191 HG2 LYS 20 HG2 LYS 20 10.418 2.830 -3.804
192 HG3 LYS 20 HG3 LYS 20 9.992 2.082 -5.344
193 HD2 LYS 20 HD2 LYS 20 8.724 4.535 -4.129
194 HD3 LYS 20 HD3 LYS 20 9.831 4.502 -5.501
195 HE2 LYS 20 HE2 LYS 20 7.073 3.288 -5.382
196 HE3 LYS 20 HE3 LYS 20 7.544 4.734 -6.272
197 HZ1 LYS 20 HZ1 LYS 20 8.576 1.993 -6.797
198 HZ2 LYS 20 HZ2 LYS 20 8.955 3.388 -7.683
199 HZ3 LYS 20 HZ3 LYS 20 7.373 2.780 -7.699
200 H LEU 21 H LEU 21 8.711 0.550 -0.940
201 HA LEU 21 HA LEU 21 11.355 1.149 -0.119
202 HB2 LEU 21 HB2 LEU 21 9.077 -0.079 1.443
203 HB3 LEU 21 HB3 LEU 21 10.532 0.603 2.142
204 HG LEU 21 HG LEU 21 8.507 2.176 0.543
205 HD11 LEU 21 HD11 LEU 21 7.846 3.136 2.694
206 HD12 LEU 21 HD12 LEU 21 8.930 2.021 3.524
207 HD13 LEU 21 HD13 LEU 21 7.539 1.401 2.638
208 HD21 LEU 21 HD21 LEU 21 10.774 3.087 0.458
209 HD22 LEU 21 HD22 LEU 21 10.857 3.057 2.219
210 HD23 LEU 21 HD23 LEU 21 9.707 4.120 1.408
211 H LYS 22 H LYS 22 9.585 -1.785 -0.721
212 HA LYS 22 HA LYS 22 11.687 -3.529 0.207
213 HB2 LYS 22 HB2 LYS 22 9.312 -4.244 0.198
214 HB3 LYS 22 HB3 LYS 22 9.287 -4.108 -1.553
215 HG2 LYS 22 HG2 LYS 22 9.506 -6.426 -0.823
216 HG3 LYS 22 HG3 LYS 22 10.918 -5.900 -1.741
217 HD2 LYS 22 HD2 LYS 22 11.649 -7.177 0.158
218 HD3 LYS 22 HD3 LYS 22 12.094 -5.487 0.401
219 HE2 LYS 22 HE2 LYS 22 10.048 -5.219 1.795
220 HE3 LYS 22 HE3 LYS 22 9.764 -6.952 1.638
221 HZ1 LYS 22 HZ1 LYS 22 12.111 -5.649 2.909
222 HZ2 LYS 22 HZ2 LYS 22 11.964 -7.319 2.661
223 HZ3 LYS 22 HZ3 LYS 22 10.882 -6.520 3.696
224 H LYS 23 H LYS 23 13.238 -2.169 -1.047
225 HA LYS 23 HA LYS 23 13.200 -2.518 -3.921
226 HB2 LYS 23 HB2 LYS 23 13.631 -0.299 -3.088
227 HB3 LYS 23 HB3 LYS 23 14.937 -0.885 -2.072
228 HG2 LYS 23 HG2 LYS 23 16.252 -1.416 -4.061
229 HG3 LYS 23 HG3 LYS 23 14.937 -0.826 -5.084
230 HD2 LYS 23 HD2 LYS 23 15.265 1.379 -4.459
231 HD3 LYS 23 HD3 LYS 23 16.059 0.937 -2.948
232 HE2 LYS 23 HE2 LYS 23 17.218 0.624 -5.714
233 HE3 LYS 23 HE3 LYS 23 17.643 1.878 -4.550
234 HZ1 LYS 23 HZ1 LYS 23 18.199 -1.023 -4.407
235 HZ2 LYS 23 HZ2 LYS 23 18.248 -0.048 -3.020
236 HZ3 LYS 23 HZ3 LYS 23 19.297 0.267 -4.320
237 H ALA 24 H ALA 24 16.131 -2.389 -1.988
238 HA ALA 24 HA ALA 24 16.883 -5.065 -2.013
239 HB1 ALA 24 HB1 ALA 24 18.022 -3.562 -4.379
240 HB2 ALA 24 HB2 ALA 24 16.823 -4.851 -4.478
241 HB3 ALA 24 HB3 ALA 24 18.444 -5.197 -3.874
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -14.077 4.448 6.234
2 H2 LYS 1 H2 LYS 1 -14.924 5.099 4.918
3 H3 LYS 1 H3 LYS 1 -14.497 6.091 6.228
4 HA LYS 1 HA LYS 1 -13.078 6.489 4.341
5 HB2 LYS 1 HB2 LYS 1 -11.831 5.207 6.766
6 HB3 LYS 1 HB3 LYS 1 -10.860 5.954 5.508
7 HG2 LYS 1 HG2 LYS 1 -12.999 7.374 7.083
8 HG3 LYS 1 HG3 LYS 1 -11.273 7.426 7.450
9 HD2 LYS 1 HD2 LYS 1 -10.879 8.340 5.171
10 HD3 LYS 1 HD3 LYS 1 -12.625 8.401 4.938
11 HE2 LYS 1 HE2 LYS 1 -11.117 9.836 7.118
12 HE3 LYS 1 HE3 LYS 1 -11.658 10.575 5.613
13 HZ1 LYS 1 HZ1 LYS 1 -13.204 11.069 7.355
14 HZ2 LYS 1 HZ2 LYS 1 -13.382 9.433 7.747
15 HZ3 LYS 1 HZ3 LYS 1 -13.957 10.012 6.259
16 H LYS 2 H LYS 2 -11.628 3.542 5.642
17 HA LYS 2 HA LYS 2 -10.577 1.822 4.608
18 HB2 LYS 2 HB2 LYS 2 -13.183 1.965 3.125
19 HB3 LYS 2 HB3 LYS 2 -11.995 0.718 2.769
20 HG2 LYS 2 HG2 LYS 2 -13.269 1.218 5.451
21 HG3 LYS 2 HG3 LYS 2 -13.691 -0.077 4.326
22 HD2 LYS 2 HD2 LYS 2 -11.435 -0.987 4.507
23 HD3 LYS 2 HD3 LYS 2 -10.984 0.321 5.602
24 HE2 LYS 2 HE2 LYS 2 -12.684 -0.458 7.200
25 HE3 LYS 2 HE3 LYS 2 -13.087 -1.785 6.111
26 HZ1 LYS 2 HZ1 LYS 2 -10.850 -2.645 6.356
27 HZ2 LYS 2 HZ2 LYS 2 -11.571 -2.472 7.882
28 HZ3 LYS 2 HZ3 LYS 2 -10.426 -1.345 7.356
29 H LEU 3 H LEU 3 -8.954 3.401 3.907
30 HA LEU 3 HA LEU 3 -7.384 4.002 2.393
31 HB2 LEU 3 HB2 LEU 3 -8.874 1.970 0.763
32 HB3 LEU 3 HB3 LEU 3 -7.567 2.895 0.057
33 HG LEU 3 HG LEU 3 -6.075 2.009 1.886
34 HD11 LEU 3 HD11 LEU 3 -8.384 0.129 2.347
35 HD12 LEU 3 HD12 LEU 3 -7.832 1.367 3.472
36 HD13 LEU 3 HD13 LEU 3 -6.781 0.008 3.070
37 HD21 LEU 3 HD21 LEU 3 -5.814 -0.186 0.819
38 HD22 LEU 3 HD22 LEU 3 -6.013 1.108 -0.362
39 HD23 LEU 3 HD23 LEU 3 -7.364 0.036 0.010
40 H LYS 4 H LYS 4 -9.790 5.570 2.691
41 HA LYS 4 HA LYS 4 -10.307 6.707 0.082
42 HB2 LYS 4 HB2 LYS 4 -12.127 6.744 1.658
43 HB3 LYS 4 HB3 LYS 4 -11.130 7.526 2.874
44 HG2 LYS 4 HG2 LYS 4 -12.682 9.106 1.907
45 HG3 LYS 4 HG3 LYS 4 -11.025 9.543 1.494
46 HD2 LYS 4 HD2 LYS 4 -12.431 9.831 -0.443
47 HD3 LYS 4 HD3 LYS 4 -11.336 8.477 -0.716
48 HE2 LYS 4 HE2 LYS 4 -13.101 6.901 -0.202
49 HE3 LYS 4 HE3 LYS 4 -14.201 8.223 0.190
50 HZ1 LYS 4 HZ1 LYS 4 -12.962 7.834 -2.482
51 HZ2 LYS 4 HZ2 LYS 4 -14.175 8.947 -2.070
52 HZ3 LYS 4 HZ3 LYS 4 -14.513 7.284 -2.066
53 H LEU 5 H LEU 5 -8.768 7.792 3.100
54 HA LEU 5 HA LEU 5 -7.255 9.764 1.512
55 HB2 LEU 5 HB2 LEU 5 -7.859 9.746 4.472
56 HB3 LEU 5 HB3 LEU 5 -6.899 10.958 3.642
57 HG LEU 5 HG LEU 5 -9.847 10.429 3.218
58 HD11 LEU 5 HD11 LEU 5 -9.338 11.561 5.327
59 HD12 LEU 5 HD12 LEU 5 -10.155 12.636 4.191
60 HD13 LEU 5 HD13 LEU 5 -8.416 12.780 4.445
61 HD21 LEU 5 HD21 LEU 5 -8.742 11.106 1.138
62 HD22 LEU 5 HD22 LEU 5 -8.057 12.507 1.961
63 HD23 LEU 5 HD23 LEU 5 -9.802 12.375 1.750
64 H ALA 6 H ALA 6 -6.980 6.782 2.602
65 HA ALA 6 HA ALA 6 -4.504 6.732 3.947
66 HB1 ALA 6 HB1 ALA 6 -4.432 4.368 3.336
67 HB2 ALA 6 HB2 ALA 6 -5.770 4.616 2.213
68 HB3 ALA 6 HB3 ALA 6 -6.021 4.827 3.946
69 H LEU 7 H LEU 7 -5.393 6.865 0.573
70 HA LEU 7 HA LEU 7 -2.695 6.388 -0.351
71 HB2 LEU 7 HB2 LEU 7 -5.289 7.004 -1.744
72 HB3 LEU 7 HB3 LEU 7 -3.764 6.998 -2.607
73 HG LEU 7 HG LEU 7 -3.454 4.606 -1.869
74 HD11 LEU 7 HD11 LEU 7 -5.431 3.370 -1.157
75 HD12 LEU 7 HD12 LEU 7 -6.343 4.877 -1.057
76 HD13 LEU 7 HD13 LEU 7 -4.978 4.598 0.025
77 HD21 LEU 7 HD21 LEU 7 -5.002 3.708 -3.539
78 HD22 LEU 7 HD22 LEU 7 -4.204 5.174 -4.112
79 HD23 LEU 7 HD23 LEU 7 -5.874 5.242 -3.549
80 H ALA 8 H ALA 8 -3.593 8.811 1.299
81 HA ALA 8 HA ALA 8 -2.584 10.902 -0.501
82 HB1 ALA 8 HB1 ALA 8 -4.787 11.375 0.456
83 HB2 ALA 8 HB2 ALA 8 -3.578 12.521 1.036
84 HB3 ALA 8 HB3 ALA 8 -4.121 11.209 2.080
85 H LYS 9 H LYS 9 -1.790 8.903 2.084
86 HA LYS 9 HA LYS 9 0.184 10.648 3.255
87 HB2 LYS 9 HB2 LYS 9 -0.288 7.680 3.636
88 HB3 LYS 9 HB3 LYS 9 0.828 8.657 4.582
89 HG2 LYS 9 HG2 LYS 9 -0.998 9.964 5.465
90 HG3 LYS 9 HG3 LYS 9 -2.146 9.113 4.431
91 HD2 LYS 9 HD2 LYS 9 -1.653 7.025 5.598
92 HD3 LYS 9 HD3 LYS 9 -0.483 7.862 6.620
93 HE2 LYS 9 HE2 LYS 9 -2.633 7.554 7.761
94 HE3 LYS 9 HE3 LYS 9 -2.250 9.259 7.536
95 HZ1 LYS 9 HZ1 LYS 9 -4.042 7.713 5.746
96 HZ2 LYS 9 HZ2 LYS 9 -3.779 9.389 5.730
97 HZ3 LYS 9 HZ3 LYS 9 -4.589 8.670 7.031
98 HA PRO 10 HA PRO 10 3.175 8.105 0.591
99 HB2 PRO 10 HB2 PRO 10 2.373 6.013 -0.868
100 HB3 PRO 10 HB3 PRO 10 2.707 5.847 0.860
101 HG2 PRO 10 HG2 PRO 10 0.090 6.075 -0.555
102 HG3 PRO 10 HG3 PRO 10 0.537 5.051 0.821
103 HD2 PRO 10 HD2 PRO 10 -0.822 7.453 1.008
104 HD3 PRO 10 HD3 PRO 10 0.093 6.696 2.327
105 H ALA 11 H ALA 11 0.071 9.006 -0.474
106 HA ALA 11 HA ALA 11 -0.628 10.368 -2.147
107 HB1 ALA 11 HB1 ALA 11 0.930 11.490 -3.612
108 HB2 ALA 11 HB2 ALA 11 2.220 10.390 -3.124
109 HB3 ALA 11 HB3 ALA 11 1.531 11.515 -1.954
110 H LEU 12 H LEU 12 1.258 7.577 -2.923
111 HA LEU 12 HA LEU 12 0.070 7.351 -5.571
112 HB2 LEU 12 HB2 LEU 12 2.082 5.620 -4.137
113 HB3 LEU 12 HB3 LEU 12 1.538 5.367 -5.785
114 HG LEU 12 HG LEU 12 3.042 7.798 -4.800
115 HD11 LEU 12 HD11 LEU 12 3.938 5.492 -6.523
116 HD12 LEU 12 HD12 LEU 12 4.431 5.788 -4.856
117 HD13 LEU 12 HD13 LEU 12 4.891 6.923 -6.127
118 HD21 LEU 12 HD21 LEU 12 2.201 6.983 -7.580
119 HD22 LEU 12 HD22 LEU 12 3.189 8.384 -7.164
120 HD23 LEU 12 HD23 LEU 12 1.507 8.303 -6.637
121 H LEU 13 H LEU 13 0.156 4.420 -5.532
122 HA LEU 13 HA LEU 13 -2.565 4.046 -4.732
123 HB2 LEU 13 HB2 LEU 13 -0.520 2.255 -6.010
124 HB3 LEU 13 HB3 LEU 13 -2.080 1.638 -5.505
125 HG LEU 13 HG LEU 13 -2.178 2.100 -7.844
126 HD11 LEU 13 HD11 LEU 13 -4.002 3.713 -7.955
127 HD12 LEU 13 HD12 LEU 13 -3.610 4.270 -6.328
128 HD13 LEU 13 HD13 LEU 13 -4.182 2.622 -6.581
129 HD21 LEU 13 HD21 LEU 13 -1.774 4.321 -8.781
130 HD22 LEU 13 HD22 LEU 13 -0.325 3.660 -8.026
131 HD23 LEU 13 HD23 LEU 13 -1.265 4.898 -7.195
132 H TRP 14 H TRP 14 -0.023 4.151 -2.807
133 HA TRP 14 HA TRP 14 -0.040 3.874 -0.553
134 HB2 TRP 14 HB2 TRP 14 -2.492 3.527 -0.584
135 HB3 TRP 14 HB3 TRP 14 -2.237 1.835 -0.989
136 HD1 TRP 14 HD1 TRP 14 -1.573 4.299 1.914
137 HE1 TRP 14 HE1 TRP 14 -1.520 2.955 4.111
138 HE3 TRP 14 HE3 TRP 14 -2.001 -0.418 -0.018
139 HZ2 TRP 14 HZ2 TRP 14 -1.647 0.247 4.913
140 HZ3 TRP 14 HZ3 TRP 14 -2.032 -2.330 1.535
141 HH2 TRP 14 HH2 TRP 14 -1.859 -2.000 3.944
142 H LYS 15 H LYS 15 -0.534 0.901 -2.403
143 HA LYS 15 HA LYS 15 1.540 -0.371 -0.877
144 HB2 LYS 15 HB2 LYS 15 1.035 -2.362 -2.323
145 HB3 LYS 15 HB3 LYS 15 -0.341 -1.763 -1.405
146 HG2 LYS 15 HG2 LYS 15 -1.141 -0.582 -3.405
147 HG3 LYS 15 HG3 LYS 15 0.220 -1.234 -4.317
148 HD2 LYS 15 HD2 LYS 15 -0.574 -3.488 -3.970
149 HD3 LYS 15 HD3 LYS 15 -1.870 -2.900 -2.926
150 HE2 LYS 15 HE2 LYS 15 -2.767 -3.379 -5.108
151 HE3 LYS 15 HE3 LYS 15 -2.790 -1.639 -4.834
152 HZ1 LYS 15 HZ1 LYS 15 -2.036 -2.081 -7.040
153 HZ2 LYS 15 HZ2 LYS 15 -0.837 -3.149 -6.488
154 HZ3 LYS 15 HZ3 LYS 15 -0.717 -1.491 -6.150
155 H ALA 16 H ALA 16 1.416 1.613 -3.496
156 HA ALA 16 HA ALA 16 3.418 0.506 -5.169
157 HB1 ALA 16 HB1 ALA 16 2.585 3.388 -4.871
158 HB2 ALA 16 HB2 ALA 16 1.826 2.205 -5.937
159 HB3 ALA 16 HB3 ALA 16 3.496 2.699 -6.214
160 H LEU 17 H LEU 17 3.501 2.253 -2.211
161 HA LEU 17 HA LEU 17 6.315 2.959 -2.533
162 HB2 LEU 17 HB2 LEU 17 4.611 4.586 -1.640
163 HB3 LEU 17 HB3 LEU 17 4.460 3.560 -0.228
164 HG LEU 17 HG LEU 17 6.815 3.962 0.329
165 HD11 LEU 17 HD11 LEU 17 6.778 5.813 -2.050
166 HD12 LEU 17 HD12 LEU 17 7.689 4.308 -1.916
167 HD13 LEU 17 HD13 LEU 17 8.082 5.674 -0.873
168 HD21 LEU 17 HD21 LEU 17 5.118 5.413 1.284
169 HD22 LEU 17 HD22 LEU 17 5.200 6.469 -0.126
170 HD23 LEU 17 HD23 LEU 17 6.589 6.328 0.951
171 H ALA 18 H ALA 18 4.397 0.486 -1.321
172 HA ALA 18 HA ALA 18 5.943 -0.259 0.962
173 HB1 ALA 18 HB1 ALA 18 4.581 -2.281 0.971
174 HB2 ALA 18 HB2 ALA 18 3.954 -1.877 -0.628
175 HB3 ALA 18 HB3 ALA 18 3.576 -0.848 0.754
176 H LEU 19 H LEU 19 5.627 -1.575 -2.330
177 HA LEU 19 HA LEU 19 7.720 -3.490 -1.894
178 HB2 LEU 19 HB2 LEU 19 7.441 -3.835 -4.426
179 HB3 LEU 19 HB3 LEU 19 6.123 -4.285 -3.365
180 HG LEU 19 HG LEU 19 5.029 -2.088 -3.933
181 HD11 LEU 19 HD11 LEU 19 7.146 -2.017 -6.079
182 HD12 LEU 19 HD12 LEU 19 6.985 -0.880 -4.740
183 HD13 LEU 19 HD13 LEU 19 5.736 -0.962 -5.982
184 HD21 LEU 19 HD21 LEU 19 5.556 -4.049 -6.157
185 HD22 LEU 19 HD22 LEU 19 4.240 -2.875 -6.121
186 HD23 LEU 19 HD23 LEU 19 4.300 -4.168 -4.923
187 H LYS 20 H LYS 20 8.037 -0.355 -2.025
188 HA LYS 20 HA LYS 20 10.177 -0.161 -3.963
189 HB2 LYS 20 HB2 LYS 20 8.554 1.714 -3.397
190 HB3 LYS 20 HB3 LYS 20 9.411 1.871 -1.871
191 HG2 LYS 20 HG2 LYS 20 11.438 2.466 -2.996
192 HG3 LYS 20 HG3 LYS 20 10.714 2.135 -4.572
193 HD2 LYS 20 HD2 LYS 20 9.030 3.914 -4.073
194 HD3 LYS 20 HD3 LYS 20 9.963 4.311 -2.629
195 HE2 LYS 20 HE2 LYS 20 11.897 4.840 -3.986
196 HE3 LYS 20 HE3 LYS 20 11.034 4.360 -5.448
197 HZ1 LYS 20 HZ1 LYS 20 10.465 6.678 -3.688
198 HZ2 LYS 20 HZ2 LYS 20 9.390 6.137 -4.881
199 HZ3 LYS 20 HZ3 LYS 20 10.926 6.701 -5.321
200 H LEU 21 H LEU 21 9.765 -0.298 -0.455
201 HA LEU 21 HA LEU 21 12.636 -0.406 -0.031
202 HB2 LEU 21 HB2 LEU 21 10.288 -0.603 1.845
203 HB3 LEU 21 HB3 LEU 21 11.944 -0.828 2.371
204 HG LEU 21 HG LEU 21 10.832 1.698 1.142
205 HD11 LEU 21 HD11 LEU 21 9.960 1.280 3.384
206 HD12 LEU 21 HD12 LEU 21 11.092 2.632 3.383
207 HD13 LEU 21 HD13 LEU 21 11.601 1.056 3.988
208 HD21 LEU 21 HD21 LEU 21 13.540 1.081 2.323
209 HD22 LEU 21 HD22 LEU 21 12.981 2.675 1.815
210 HD23 LEU 21 HD23 LEU 21 13.188 1.392 0.622
211 H LYS 22 H LYS 22 10.000 -2.507 -0.551
212 HA LYS 22 HA LYS 22 11.123 -4.860 0.610
213 HB2 LYS 22 HB2 LYS 22 8.706 -4.622 0.228
214 HB3 LYS 22 HB3 LYS 22 8.985 -4.532 -1.506
215 HG2 LYS 22 HG2 LYS 22 8.196 -6.723 -0.904
216 HG3 LYS 22 HG3 LYS 22 9.864 -6.822 -1.468
217 HD2 LYS 22 HD2 LYS 22 10.666 -6.986 0.804
218 HD3 LYS 22 HD3 LYS 22 9.036 -6.729 1.433
219 HE2 LYS 22 HE2 LYS 22 8.301 -8.808 0.383
220 HE3 LYS 22 HE3 LYS 22 9.924 -9.061 -0.258
221 HZ1 LYS 22 HZ1 LYS 22 9.348 -8.838 2.645
222 HZ2 LYS 22 HZ2 LYS 22 10.779 -9.376 1.905
223 HZ3 LYS 22 HZ3 LYS 22 9.373 -10.316 1.814
224 H LYS 23 H LYS 23 12.745 -6.019 -0.167
225 HA LYS 23 HA LYS 23 13.629 -5.585 -2.903
226 HB2 LYS 23 HB2 LYS 23 14.932 -7.078 -0.622
227 HB3 LYS 23 HB3 LYS 23 15.646 -6.841 -2.210
228 HG2 LYS 23 HG2 LYS 23 15.603 -4.411 -1.846
229 HG3 LYS 23 HG3 LYS 23 14.949 -4.683 -0.233
230 HD2 LYS 23 HD2 LYS 23 16.942 -5.850 0.436
231 HD3 LYS 23 HD3 LYS 23 17.586 -5.770 -1.204
232 HE2 LYS 23 HE2 LYS 23 17.602 -3.306 -1.046
233 HE3 LYS 23 HE3 LYS 23 17.041 -3.430 0.621
234 HZ1 LYS 23 HZ1 LYS 23 19.055 -4.411 1.286
235 HZ2 LYS 23 HZ2 LYS 23 19.506 -3.126 0.274
236 HZ3 LYS 23 HZ3 LYS 23 19.546 -4.716 -0.308
237 H ALA 24 H ALA 24 12.947 -6.892 -4.448
238 HA ALA 24 HA ALA 24 11.771 -9.461 -3.795
239 HB1 ALA 24 HB1 ALA 24 11.141 -9.551 -6.142
240 HB2 ALA 24 HB2 ALA 24 12.116 -8.120 -6.478
241 HB3 ALA 24 HB3 ALA 24 10.694 -7.994 -5.444
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -12.696 -7.697 1.324
2 H2 LYS 1 H2 LYS 1 -12.697 -6.840 -0.138
3 H3 LYS 1 H3 LYS 1 -13.996 -6.676 0.940
4 HA LYS 1 HA LYS 1 -12.540 -4.748 1.040
5 HB2 LYS 1 HB2 LYS 1 -13.739 -5.908 3.076
6 HB3 LYS 1 HB3 LYS 1 -12.104 -6.306 3.574
7 HG2 LYS 1 HG2 LYS 1 -11.551 -3.894 3.521
8 HG3 LYS 1 HG3 LYS 1 -13.246 -3.554 3.163
9 HD2 LYS 1 HD2 LYS 1 -13.751 -4.923 5.284
10 HD3 LYS 1 HD3 LYS 1 -12.042 -4.704 5.664
11 HE2 LYS 1 HE2 LYS 1 -13.211 -2.962 6.769
12 HE3 LYS 1 HE3 LYS 1 -12.418 -2.229 5.375
13 HZ1 LYS 1 HZ1 LYS 1 -14.541 -2.412 4.165
14 HZ2 LYS 1 HZ2 LYS 1 -14.660 -1.425 5.540
15 HZ3 LYS 1 HZ3 LYS 1 -15.279 -3.001 5.574
16 H LYS 2 H LYS 2 -10.795 -5.735 -0.554
17 HA LYS 2 HA LYS 2 -8.437 -6.589 1.002
18 HB2 LYS 2 HB2 LYS 2 -9.257 -7.443 -1.772
19 HB3 LYS 2 HB3 LYS 2 -7.769 -7.920 -0.965
20 HG2 LYS 2 HG2 LYS 2 -9.117 -8.998 0.804
21 HG3 LYS 2 HG3 LYS 2 -10.575 -8.593 -0.104
22 HD2 LYS 2 HD2 LYS 2 -8.305 -10.285 -1.136
23 HD3 LYS 2 HD3 LYS 2 -9.814 -10.914 -0.475
24 HE2 LYS 2 HE2 LYS 2 -11.063 -9.787 -2.247
25 HE3 LYS 2 HE3 LYS 2 -9.561 -9.132 -2.900
26 HZ1 LYS 2 HZ1 LYS 2 -10.248 -11.080 -4.125
27 HZ2 LYS 2 HZ2 LYS 2 -10.264 -12.013 -2.705
28 HZ3 LYS 2 HZ3 LYS 2 -8.802 -11.397 -3.299
29 H LEU 3 H LEU 3 -7.165 -4.867 1.137
30 HA LEU 3 HA LEU 3 -5.344 -3.691 0.535
31 HB2 LEU 3 HB2 LEU 3 -5.768 -4.874 -2.200
32 HB3 LEU 3 HB3 LEU 3 -4.319 -4.054 -1.651
33 HG LEU 3 HG LEU 3 -5.397 -6.647 -0.540
34 HD11 LEU 3 HD11 LEU 3 -4.471 -6.856 -2.798
35 HD12 LEU 3 HD12 LEU 3 -3.469 -7.671 -1.599
36 HD13 LEU 3 HD13 LEU 3 -2.972 -6.108 -2.248
37 HD21 LEU 3 HD21 LEU 3 -3.311 -6.752 0.713
38 HD22 LEU 3 HD22 LEU 3 -4.239 -5.319 1.158
39 HD23 LEU 3 HD23 LEU 3 -2.845 -5.171 0.088
40 H LYS 4 H LYS 4 -8.333 -3.067 -0.958
41 HA LYS 4 HA LYS 4 -7.585 -0.895 -2.610
42 HB2 LYS 4 HB2 LYS 4 -10.206 -1.538 -1.264
43 HB3 LYS 4 HB3 LYS 4 -9.989 -0.176 -2.351
44 HG2 LYS 4 HG2 LYS 4 -9.261 -1.810 -4.106
45 HG3 LYS 4 HG3 LYS 4 -9.765 -3.097 -3.003
46 HD2 LYS 4 HD2 LYS 4 -12.021 -2.150 -2.933
47 HD3 LYS 4 HD3 LYS 4 -11.524 -0.876 -4.045
48 HE2 LYS 4 HE2 LYS 4 -11.018 -2.591 -5.740
49 HE3 LYS 4 HE3 LYS 4 -11.580 -3.835 -4.621
50 HZ1 LYS 4 HZ1 LYS 4 -13.358 -3.341 -6.076
51 HZ2 LYS 4 HZ2 LYS 4 -13.184 -1.668 -5.865
52 HZ3 LYS 4 HZ3 LYS 4 -13.754 -2.629 -4.588
53 H LEU 5 H LEU 5 -8.074 -1.178 0.798
54 HA LEU 5 HA LEU 5 -8.520 1.609 1.267
55 HB2 LEU 5 HB2 LEU 5 -9.368 -0.277 2.701
56 HB3 LEU 5 HB3 LEU 5 -7.723 -0.513 3.253
57 HG LEU 5 HG LEU 5 -7.719 1.735 4.239
58 HD11 LEU 5 HD11 LEU 5 -9.806 3.013 4.372
59 HD12 LEU 5 HD12 LEU 5 -10.585 1.845 3.305
60 HD13 LEU 5 HD13 LEU 5 -9.252 2.836 2.707
61 HD21 LEU 5 HD21 LEU 5 -9.336 1.294 6.042
62 HD22 LEU 5 HD22 LEU 5 -8.392 -0.136 5.625
63 HD23 LEU 5 HD23 LEU 5 -10.055 0.015 5.063
64 H ALA 6 H ALA 6 -5.852 -0.018 0.326
65 HA ALA 6 HA ALA 6 -3.853 1.114 2.022
66 HB1 ALA 6 HB1 ALA 6 -2.254 0.277 0.392
67 HB2 ALA 6 HB2 ALA 6 -3.561 -0.039 -0.749
68 HB3 ALA 6 HB3 ALA 6 -3.467 -0.951 0.757
69 H LEU 7 H LEU 7 -5.744 2.338 -0.520
70 HA LEU 7 HA LEU 7 -3.822 4.513 -1.004
71 HB2 LEU 7 HB2 LEU 7 -6.169 3.529 -2.619
72 HB3 LEU 7 HB3 LEU 7 -5.376 5.055 -2.946
73 HG LEU 7 HG LEU 7 -3.234 3.731 -3.278
74 HD11 LEU 7 HD11 LEU 7 -5.165 1.416 -3.405
75 HD12 LEU 7 HD12 LEU 7 -3.948 1.669 -2.153
76 HD13 LEU 7 HD13 LEU 7 -3.451 1.372 -3.820
77 HD21 LEU 7 HD21 LEU 7 -5.544 3.225 -5.145
78 HD22 LEU 7 HD22 LEU 7 -3.836 3.085 -5.559
79 HD23 LEU 7 HD23 LEU 7 -4.514 4.656 -5.127
80 H ALA 8 H ALA 8 -5.882 4.072 1.254
81 HA ALA 8 HA ALA 8 -6.968 6.760 1.210
82 HB1 ALA 8 HB1 ALA 8 -8.837 4.399 1.356
83 HB2 ALA 8 HB2 ALA 8 -8.629 5.446 -0.047
84 HB3 ALA 8 HB3 ALA 8 -9.279 6.104 1.455
85 H LYS 9 H LYS 9 -5.479 4.428 2.898
86 HA LYS 9 HA LYS 9 -6.605 5.427 5.419
87 HB2 LYS 9 HB2 LYS 9 -7.140 3.019 5.042
88 HB3 LYS 9 HB3 LYS 9 -5.415 2.675 5.043
89 HG2 LYS 9 HG2 LYS 9 -5.251 3.526 7.331
90 HG3 LYS 9 HG3 LYS 9 -6.987 3.839 7.329
91 HD2 LYS 9 HD2 LYS 9 -6.591 1.762 8.458
92 HD3 LYS 9 HD3 LYS 9 -7.369 1.420 6.913
93 HE2 LYS 9 HE2 LYS 9 -5.238 0.800 5.940
94 HE3 LYS 9 HE3 LYS 9 -4.400 1.254 7.421
95 HZ1 LYS 9 HZ1 LYS 9 -5.710 -0.487 8.571
96 HZ2 LYS 9 HZ2 LYS 9 -4.648 -1.091 7.396
97 HZ3 LYS 9 HZ3 LYS 9 -6.310 -0.993 7.064
98 HA PRO 10 HA PRO 10 -1.856 5.060 6.104
99 HB2 PRO 10 HB2 PRO 10 -0.727 4.449 3.463
100 HB3 PRO 10 HB3 PRO 10 -0.395 3.686 5.020
101 HG2 PRO 10 HG2 PRO 10 -1.748 2.405 3.093
102 HG3 PRO 10 HG3 PRO 10 -2.139 2.189 4.810
103 HD2 PRO 10 HD2 PRO 10 -3.502 3.914 2.762
104 HD3 PRO 10 HD3 PRO 10 -4.225 2.829 3.976
105 H ALA 11 H ALA 11 -2.587 5.876 2.722
106 HA ALA 11 HA ALA 11 -2.608 8.643 3.097
107 HB1 ALA 11 HB1 ALA 11 -0.198 8.427 3.475
108 HB2 ALA 11 HB2 ALA 11 -0.539 9.330 1.998
109 HB3 ALA 11 HB3 ALA 11 -0.020 7.648 1.903
110 H LEU 12 H LEU 12 -0.970 6.942 0.469
111 HA LEU 12 HA LEU 12 -3.158 6.708 -1.278
112 HB2 LEU 12 HB2 LEU 12 -3.106 9.180 -1.166
113 HB3 LEU 12 HB3 LEU 12 -1.445 9.160 -1.726
114 HG LEU 12 HG LEU 12 -2.195 8.157 -3.859
115 HD11 LEU 12 HD11 LEU 12 -4.963 8.610 -2.751
116 HD12 LEU 12 HD12 LEU 12 -4.208 7.042 -3.039
117 HD13 LEU 12 HD13 LEU 12 -4.571 8.109 -4.396
118 HD21 LEU 12 HD21 LEU 12 -3.598 10.716 -3.110
119 HD22 LEU 12 HD22 LEU 12 -3.244 10.167 -4.749
120 HD23 LEU 12 HD23 LEU 12 -1.926 10.571 -3.651
121 H LEU 13 H LEU 13 -2.564 5.431 -2.954
122 HA LEU 13 HA LEU 13 -1.272 4.008 -4.175
123 HB2 LEU 13 HB2 LEU 13 0.527 6.433 -4.221
124 HB3 LEU 13 HB3 LEU 13 0.715 5.033 -5.261
125 HG LEU 13 HG LEU 13 -1.705 6.840 -5.234
126 HD11 LEU 13 HD11 LEU 13 -0.863 7.665 -7.372
127 HD12 LEU 13 HD12 LEU 13 0.591 6.685 -7.180
128 HD13 LEU 13 HD13 LEU 13 0.265 8.007 -6.061
129 HD21 LEU 13 HD21 LEU 13 -0.891 4.588 -7.066
130 HD22 LEU 13 HD22 LEU 13 -2.261 5.668 -7.323
131 HD23 LEU 13 HD23 LEU 13 -2.243 4.584 -5.932
132 H TRP 14 H TRP 14 -1.003 3.694 -1.400
133 HA TRP 14 HA TRP 14 1.771 3.650 -0.659
134 HB2 TRP 14 HB2 TRP 14 -0.244 4.038 0.891
135 HB3 TRP 14 HB3 TRP 14 -0.483 2.296 0.821
136 HD1 TRP 14 HD1 TRP 14 2.000 4.917 2.110
137 HE1 TRP 14 HE1 TRP 14 3.445 3.850 3.952
138 HE3 TRP 14 HE3 TRP 14 0.372 0.089 1.704
139 HZ2 TRP 14 HZ2 TRP 14 3.841 1.292 5.078
140 HZ3 TRP 14 HZ3 TRP 14 1.334 -1.608 3.201
141 HH2 TRP 14 HH2 TRP 14 3.035 -1.018 4.855
142 H LYS 15 H LYS 15 -0.475 1.573 -2.160
143 HA LYS 15 HA LYS 15 0.625 -0.928 -1.596
144 HB2 LYS 15 HB2 LYS 15 -1.561 -0.632 -2.677
145 HB3 LYS 15 HB3 LYS 15 -0.774 0.016 -4.108
146 HG2 LYS 15 HG2 LYS 15 0.322 -2.138 -4.477
147 HG3 LYS 15 HG3 LYS 15 -0.481 -2.785 -3.044
148 HD2 LYS 15 HD2 LYS 15 -1.884 -1.705 -5.492
149 HD3 LYS 15 HD3 LYS 15 -1.621 -3.412 -5.140
150 HE2 LYS 15 HE2 LYS 15 -2.970 -3.225 -3.123
151 HE3 LYS 15 HE3 LYS 15 -3.193 -1.501 -3.414
152 HZ1 LYS 15 HZ1 LYS 15 -4.142 -3.685 -5.194
153 HZ2 LYS 15 HZ2 LYS 15 -4.370 -2.025 -5.456
154 HZ3 LYS 15 HZ3 LYS 15 -5.112 -2.787 -4.136
155 H ALA 16 H ALA 16 1.463 1.555 -3.923
156 HA ALA 16 HA ALA 16 3.520 -0.087 -5.150
157 HB1 ALA 16 HB1 ALA 16 2.136 1.413 -6.532
158 HB2 ALA 16 HB2 ALA 16 3.856 1.789 -6.647
159 HB3 ALA 16 HB3 ALA 16 2.798 2.796 -5.660
160 H LEU 17 H LEU 17 3.237 1.888 -2.465
161 HA LEU 17 HA LEU 17 5.962 2.906 -2.571
162 HB2 LEU 17 HB2 LEU 17 4.146 4.377 -1.776
163 HB3 LEU 17 HB3 LEU 17 3.813 3.255 -0.471
164 HG LEU 17 HG LEU 17 6.076 3.683 0.443
165 HD11 LEU 17 HD11 LEU 17 6.206 5.762 -1.737
166 HD12 LEU 17 HD12 LEU 17 7.218 4.323 -1.600
167 HD13 LEU 17 HD13 LEU 17 7.344 5.609 -0.399
168 HD21 LEU 17 HD21 LEU 17 4.202 4.909 1.333
169 HD22 LEU 17 HD22 LEU 17 4.313 6.091 0.029
170 HD23 LEU 17 HD23 LEU 17 5.600 5.980 1.229
171 H ALA 18 H ALA 18 3.970 0.543 -0.957
172 HA ALA 18 HA ALA 18 5.686 -0.246 1.088
173 HB1 ALA 18 HB1 ALA 18 4.459 -2.363 1.090
174 HB2 ALA 18 HB2 ALA 18 3.766 -1.965 -0.481
175 HB3 ALA 18 HB3 ALA 18 3.361 -0.992 0.932
176 H LEU 19 H LEU 19 5.687 -0.986 -2.323
177 HA LEU 19 HA LEU 19 7.511 -3.143 -2.282
178 HB2 LEU 19 HB2 LEU 19 6.956 -1.139 -4.468
179 HB3 LEU 19 HB3 LEU 19 7.818 -2.650 -4.676
180 HG LEU 19 HG LEU 19 4.919 -2.394 -3.868
181 HD11 LEU 19 HD11 LEU 19 5.319 -1.742 -6.189
182 HD12 LEU 19 HD12 LEU 19 4.445 -3.271 -6.090
183 HD13 LEU 19 HD13 LEU 19 6.168 -3.263 -6.470
184 HD21 LEU 19 HD21 LEU 19 5.988 -4.385 -2.927
185 HD22 LEU 19 HD22 LEU 19 6.571 -4.830 -4.531
186 HD23 LEU 19 HD23 LEU 19 4.840 -4.814 -4.196
187 H LYS 20 H LYS 20 7.921 0.266 -1.992
188 HA LYS 20 HA LYS 20 10.732 0.230 -2.683
189 HB2 LYS 20 HB2 LYS 20 8.979 2.408 -1.530
190 HB3 LYS 20 HB3 LYS 20 10.662 2.624 -1.990
191 HG2 LYS 20 HG2 LYS 20 8.481 1.775 -3.878
192 HG3 LYS 20 HG3 LYS 20 9.043 3.437 -3.677
193 HD2 LYS 20 HD2 LYS 20 11.285 2.775 -4.381
194 HD3 LYS 20 HD3 LYS 20 10.751 1.100 -4.539
195 HE2 LYS 20 HE2 LYS 20 10.864 2.309 -6.700
196 HE3 LYS 20 HE3 LYS 20 9.257 1.685 -6.330
197 HZ1 LYS 20 HZ1 LYS 20 10.004 4.466 -5.652
198 HZ2 LYS 20 HZ2 LYS 20 8.457 3.801 -5.884
199 HZ3 LYS 20 HZ3 LYS 20 9.474 4.063 -7.213
200 H LEU 21 H LEU 21 8.746 -0.088 0.116
201 HA LEU 21 HA LEU 21 10.934 0.326 1.971
202 HB2 LEU 21 HB2 LEU 21 8.023 -0.302 2.244
203 HB3 LEU 21 HB3 LEU 21 9.098 -0.620 3.590
204 HG LEU 21 HG LEU 21 9.776 1.786 3.547
205 HD11 LEU 21 HD11 LEU 21 8.432 3.389 2.335
206 HD12 LEU 21 HD12 LEU 21 7.471 2.090 1.630
207 HD13 LEU 21 HD13 LEU 21 9.176 2.254 1.208
208 HD21 LEU 21 HD21 LEU 21 7.740 2.605 4.604
209 HD22 LEU 21 HD22 LEU 21 8.090 0.952 5.112
210 HD23 LEU 21 HD23 LEU 21 6.829 1.262 3.917
211 H LYS 22 H LYS 22 9.819 -2.166 0.039
212 HA LYS 22 HA LYS 22 10.510 -4.359 1.761
213 HB2 LYS 22 HB2 LYS 22 9.939 -4.186 -1.194
214 HB3 LYS 22 HB3 LYS 22 10.353 -5.692 -0.385
215 HG2 LYS 22 HG2 LYS 22 8.407 -5.414 1.083
216 HG3 LYS 22 HG3 LYS 22 7.977 -3.942 0.209
217 HD2 LYS 22 HD2 LYS 22 7.570 -5.161 -1.795
218 HD3 LYS 22 HD3 LYS 22 8.277 -6.630 -1.115
219 HE2 LYS 22 HE2 LYS 22 5.751 -5.269 -0.175
220 HE3 LYS 22 HE3 LYS 22 5.839 -6.757 -1.118
221 HZ1 LYS 22 HZ1 LYS 22 5.527 -7.338 1.161
222 HZ2 LYS 22 HZ2 LYS 22 6.806 -6.345 1.662
223 HZ3 LYS 22 HZ3 LYS 22 7.123 -7.738 0.749
224 H LYS 23 H LYS 23 12.599 -3.228 2.260
225 HA LYS 23 HA LYS 23 14.675 -3.614 0.262
226 HB2 LYS 23 HB2 LYS 23 14.981 -2.492 3.047
227 HB3 LYS 23 HB3 LYS 23 16.078 -2.297 1.685
228 HG2 LYS 23 HG2 LYS 23 14.370 -0.991 0.505
229 HG3 LYS 23 HG3 LYS 23 13.296 -1.164 1.893
230 HD2 LYS 23 HD2 LYS 23 15.066 -0.044 3.275
231 HD3 LYS 23 HD3 LYS 23 15.928 0.292 1.770
232 HE2 LYS 23 HE2 LYS 23 13.858 1.430 0.940
233 HE3 LYS 23 HE3 LYS 23 13.176 1.239 2.554
234 HZ1 LYS 23 HZ1 LYS 23 15.595 2.785 1.814
235 HZ2 LYS 23 HZ2 LYS 23 15.096 2.514 3.412
236 HZ3 LYS 23 HZ3 LYS 23 14.112 3.409 2.352
237 H ALA 24 H ALA 24 13.206 -5.313 2.691
238 HA ALA 24 HA ALA 24 15.191 -7.394 2.588
239 HB1 ALA 24 HB1 ALA 24 14.467 -6.176 5.259
240 HB2 ALA 24 HB2 ALA 24 16.026 -6.013 4.449
241 HB3 ALA 24 HB3 ALA 24 15.480 -7.596 4.998
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -2.661 15.498 13.652
2 H2 LYS 1 H2 LYS 1 -1.117 14.797 13.661
3 H3 LYS 1 H3 LYS 1 -1.778 15.371 12.212
4 HA LYS 1 HA LYS 1 -1.740 17.624 13.037
5 HB2 LYS 1 HB2 LYS 1 -0.405 16.355 15.439
6 HB3 LYS 1 HB3 LYS 1 -0.494 18.085 15.143
7 HG2 LYS 1 HG2 LYS 1 -2.925 17.997 15.284
8 HG3 LYS 1 HG3 LYS 1 -2.852 16.256 15.546
9 HD2 LYS 1 HD2 LYS 1 -3.138 17.308 17.673
10 HD3 LYS 1 HD3 LYS 1 -1.488 16.690 17.586
11 HE2 LYS 1 HE2 LYS 1 -1.448 18.887 18.558
12 HE3 LYS 1 HE3 LYS 1 -0.722 18.958 16.954
13 HZ1 LYS 1 HZ1 LYS 1 -2.307 20.794 17.501
14 HZ2 LYS 1 HZ2 LYS 1 -3.559 19.650 17.474
15 HZ3 LYS 1 HZ3 LYS 1 -2.655 19.957 16.070
16 H LYS 2 H LYS 2 -0.552 16.941 11.018
17 HA LYS 2 HA LYS 2 1.302 16.863 9.699
18 HB2 LYS 2 HB2 LYS 2 2.375 18.563 11.954
19 HB3 LYS 2 HB3 LYS 2 3.196 18.337 10.418
20 HG2 LYS 2 HG2 LYS 2 0.471 19.564 10.774
21 HG3 LYS 2 HG3 LYS 2 1.973 20.453 10.521
22 HD2 LYS 2 HD2 LYS 2 2.236 19.184 8.363
23 HD3 LYS 2 HD3 LYS 2 0.601 18.570 8.609
24 HE2 LYS 2 HE2 LYS 2 1.399 21.467 8.360
25 HE3 LYS 2 HE3 LYS 2 0.602 20.501 7.121
26 HZ1 LYS 2 HZ1 LYS 2 -0.553 21.105 9.792
27 HZ2 LYS 2 HZ2 LYS 2 -1.328 20.299 8.514
28 HZ3 LYS 2 HZ3 LYS 2 -0.928 21.941 8.366
29 H LEU 3 H LEU 3 1.039 14.540 11.141
30 HA LEU 3 HA LEU 3 3.484 13.986 12.575
31 HB2 LEU 3 HB2 LEU 3 1.227 13.053 13.186
32 HB3 LEU 3 HB3 LEU 3 1.336 12.037 11.763
33 HG LEU 3 HG LEU 3 3.350 10.956 12.697
34 HD11 LEU 3 HD11 LEU 3 2.777 12.703 15.086
35 HD12 LEU 3 HD12 LEU 3 4.190 12.794 14.035
36 HD13 LEU 3 HD13 LEU 3 3.935 11.374 15.050
37 HD21 LEU 3 HD21 LEU 3 0.986 10.963 14.568
38 HD22 LEU 3 HD22 LEU 3 2.217 9.706 14.448
39 HD23 LEU 3 HD23 LEU 3 1.128 10.005 13.094
40 H LYS 4 H LYS 4 4.829 14.523 10.742
41 HA LYS 4 HA LYS 4 6.382 13.945 9.216
42 HB2 LYS 4 HB2 LYS 4 5.484 11.092 9.646
43 HB3 LYS 4 HB3 LYS 4 6.968 11.606 8.859
44 HG2 LYS 4 HG2 LYS 4 7.330 12.823 11.191
45 HG3 LYS 4 HG3 LYS 4 6.275 11.518 11.735
46 HD2 LYS 4 HD2 LYS 4 8.917 11.270 10.303
47 HD3 LYS 4 HD3 LYS 4 8.550 10.795 11.960
48 HE2 LYS 4 HE2 LYS 4 7.323 9.569 9.493
49 HE3 LYS 4 HE3 LYS 4 8.674 8.884 10.395
50 HZ1 LYS 4 HZ1 LYS 4 6.562 7.866 10.993
51 HZ2 LYS 4 HZ2 LYS 4 5.947 9.365 11.477
52 HZ3 LYS 4 HZ3 LYS 4 7.243 8.670 12.322
53 H LEU 5 H LEU 5 3.666 14.571 8.410
54 HA LEU 5 HA LEU 5 2.445 14.765 6.511
55 HB2 LEU 5 HB2 LEU 5 4.569 15.233 5.426
56 HB3 LEU 5 HB3 LEU 5 4.883 13.520 5.239
57 HG LEU 5 HG LEU 5 2.940 13.352 3.708
58 HD11 LEU 5 HD11 LEU 5 2.855 16.357 3.950
59 HD12 LEU 5 HD12 LEU 5 1.650 15.237 4.587
60 HD13 LEU 5 HD13 LEU 5 1.897 15.369 2.846
61 HD21 LEU 5 HD21 LEU 5 4.995 15.421 2.939
62 HD22 LEU 5 HD22 LEU 5 3.991 14.497 1.822
63 HD23 LEU 5 HD23 LEU 5 5.186 13.672 2.822
64 H ALA 6 H ALA 6 0.768 13.433 7.005
65 HA ALA 6 HA ALA 6 0.937 10.675 5.963
66 HB1 ALA 6 HB1 ALA 6 0.828 10.718 8.422
67 HB2 ALA 6 HB2 ALA 6 -0.608 9.979 7.711
68 HB3 ALA 6 HB3 ALA 6 -0.679 11.631 8.327
69 H LEU 7 H LEU 7 0.137 13.136 4.628
70 HA LEU 7 HA LEU 7 -2.753 12.770 4.330
71 HB2 LEU 7 HB2 LEU 7 -1.915 15.045 4.817
72 HB3 LEU 7 HB3 LEU 7 -0.986 15.005 3.331
73 HG LEU 7 HG LEU 7 -3.089 14.824 2.045
74 HD11 LEU 7 HD11 LEU 7 -4.453 13.747 3.764
75 HD12 LEU 7 HD12 LEU 7 -5.219 15.218 3.165
76 HD13 LEU 7 HD13 LEU 7 -4.405 15.224 4.727
77 HD21 LEU 7 HD21 LEU 7 -3.010 17.167 3.940
78 HD22 LEU 7 HD22 LEU 7 -3.792 17.126 2.359
79 HD23 LEU 7 HD23 LEU 7 -2.036 17.004 2.480
80 H ALA 8 H ALA 8 -3.208 11.282 2.871
81 HA ALA 8 HA ALA 8 -3.556 10.365 0.835
82 HB1 ALA 8 HB1 ALA 8 -1.873 12.606 -0.267
83 HB2 ALA 8 HB2 ALA 8 -3.627 12.622 -0.078
84 HB3 ALA 8 HB3 ALA 8 -2.871 11.495 -1.205
85 H LYS 9 H LYS 9 -0.699 10.476 2.394
86 HA LYS 9 HA LYS 9 0.952 9.135 0.467
87 HB2 LYS 9 HB2 LYS 9 1.892 10.578 2.280
88 HB3 LYS 9 HB3 LYS 9 1.372 9.376 3.455
89 HG2 LYS 9 HG2 LYS 9 2.781 7.727 2.084
90 HG3 LYS 9 HG3 LYS 9 3.516 9.171 1.381
91 HD2 LYS 9 HD2 LYS 9 4.062 9.944 3.670
92 HD3 LYS 9 HD3 LYS 9 3.425 8.424 4.301
93 HE2 LYS 9 HE2 LYS 9 5.100 7.286 2.733
94 HE3 LYS 9 HE3 LYS 9 5.852 8.874 2.585
95 HZ1 LYS 9 HZ1 LYS 9 5.596 7.178 4.993
96 HZ2 LYS 9 HZ2 LYS 9 5.894 8.841 5.121
97 HZ3 LYS 9 HZ3 LYS 9 7.001 7.845 4.314
98 HA PRO 10 HA PRO 10 0.007 5.238 3.052
99 HB2 PRO 10 HB2 PRO 10 -2.033 5.747 5.029
100 HB3 PRO 10 HB3 PRO 10 -0.360 5.248 5.279
101 HG2 PRO 10 HG2 PRO 10 -1.344 7.701 5.997
102 HG3 PRO 10 HG3 PRO 10 0.359 7.383 5.628
103 HD2 PRO 10 HD2 PRO 10 -1.756 8.614 3.908
104 HD3 PRO 10 HD3 PRO 10 -0.043 9.049 4.079
105 H ALA 11 H ALA 11 -2.661 7.386 2.396
106 HA ALA 11 HA ALA 11 -4.581 5.244 2.117
107 HB1 ALA 11 HB1 ALA 11 -5.239 7.428 3.031
108 HB2 ALA 11 HB2 ALA 11 -6.182 6.977 1.611
109 HB3 ALA 11 HB3 ALA 11 -4.892 8.169 1.469
110 H LEU 12 H LEU 12 -2.292 6.720 0.088
111 HA LEU 12 HA LEU 12 -3.618 5.569 -2.265
112 HB2 LEU 12 HB2 LEU 12 -2.353 8.303 -2.094
113 HB3 LEU 12 HB3 LEU 12 -2.782 7.514 -3.598
114 HG LEU 12 HG LEU 12 -4.745 8.265 -1.431
115 HD11 LEU 12 HD11 LEU 12 -5.469 10.010 -2.980
116 HD12 LEU 12 HD12 LEU 12 -4.172 9.566 -4.089
117 HD13 LEU 12 HD13 LEU 12 -3.786 10.233 -2.502
118 HD21 LEU 12 HD21 LEU 12 -5.476 6.337 -2.726
119 HD22 LEU 12 HD22 LEU 12 -5.159 7.207 -4.228
120 HD23 LEU 12 HD23 LEU 12 -6.435 7.758 -3.141
121 H LEU 13 H LEU 13 -2.331 4.357 -3.478
122 HA LEU 13 HA LEU 13 -0.507 3.336 -4.347
123 HB2 LEU 13 HB2 LEU 13 0.687 6.036 -3.751
124 HB3 LEU 13 HB3 LEU 13 1.629 4.750 -4.473
125 HG LEU 13 HG LEU 13 -0.086 4.695 -6.339
126 HD11 LEU 13 HD11 LEU 13 -1.880 5.887 -5.151
127 HD12 LEU 13 HD12 LEU 13 -1.459 6.651 -6.683
128 HD13 LEU 13 HD13 LEU 13 -0.895 7.350 -5.165
129 HD21 LEU 13 HD21 LEU 13 1.487 7.235 -5.955
130 HD22 LEU 13 HD22 LEU 13 0.917 6.582 -7.491
131 HD23 LEU 13 HD23 LEU 13 2.130 5.708 -6.556
132 H TRP 14 H TRP 14 -1.096 2.698 -1.711
133 HA TRP 14 HA TRP 14 1.306 2.836 -0.135
134 HB2 TRP 14 HB2 TRP 14 0.067 1.520 1.522
135 HB3 TRP 14 HB3 TRP 14 -0.893 2.889 0.978
136 HD1 TRP 14 HD1 TRP 14 -0.965 -0.837 1.287
137 HE1 TRP 14 HE1 TRP 14 -3.178 -1.763 0.342
138 HE3 TRP 14 HE3 TRP 14 -2.696 3.393 -1.007
139 HZ2 TRP 14 HZ2 TRP 14 -5.360 -0.815 -1.169
140 HZ3 TRP 14 HZ3 TRP 14 -4.857 3.299 -2.175
141 HH2 TRP 14 HH2 TRP 14 -6.161 1.239 -2.256
142 H LYS 15 H LYS 15 -0.203 0.746 -2.418
143 HA LYS 15 HA LYS 15 1.733 -1.355 -1.912
144 HB2 LYS 15 HB2 LYS 15 -0.523 -1.150 -3.906
145 HB3 LYS 15 HB3 LYS 15 0.590 -2.509 -3.838
146 HG2 LYS 15 HG2 LYS 15 -1.295 -1.631 -1.657
147 HG3 LYS 15 HG3 LYS 15 -1.477 -3.044 -2.699
148 HD2 LYS 15 HD2 LYS 15 0.599 -3.980 -1.773
149 HD3 LYS 15 HD3 LYS 15 0.757 -2.575 -0.720
150 HE2 LYS 15 HE2 LYS 15 -0.185 -4.391 0.542
151 HE3 LYS 15 HE3 LYS 15 -1.423 -3.157 0.311
152 HZ1 LYS 15 HZ1 LYS 15 -2.269 -5.409 -0.048
153 HZ2 LYS 15 HZ2 LYS 15 -1.159 -5.639 -1.308
154 HZ3 LYS 15 HZ3 LYS 15 -2.379 -4.475 -1.457
155 H ALA 16 H ALA 16 2.247 1.455 -2.964
156 HA ALA 16 HA ALA 16 3.872 0.605 -5.269
157 HB1 ALA 16 HB1 ALA 16 2.075 2.157 -5.918
158 HB2 ALA 16 HB2 ALA 16 3.678 2.838 -6.186
159 HB3 ALA 16 HB3 ALA 16 2.723 3.354 -4.796
160 H LEU 17 H LEU 17 3.719 2.858 -2.503
161 HA LEU 17 HA LEU 17 6.550 3.416 -2.816
162 HB2 LEU 17 HB2 LEU 17 6.156 5.001 -0.897
163 HB3 LEU 17 HB3 LEU 17 5.291 5.355 -2.376
164 HG LEU 17 HG LEU 17 3.287 4.177 -1.281
165 HD11 LEU 17 HD11 LEU 17 3.255 4.251 1.174
166 HD12 LEU 17 HD12 LEU 17 4.968 4.673 1.175
167 HD13 LEU 17 HD13 LEU 17 4.447 3.104 0.560
168 HD21 LEU 17 HD21 LEU 17 2.655 6.226 -0.080
169 HD22 LEU 17 HD22 LEU 17 3.366 6.565 -1.658
170 HD23 LEU 17 HD23 LEU 17 4.322 6.790 -0.192
171 H ALA 18 H ALA 18 4.689 1.142 -1.311
172 HA ALA 18 HA ALA 18 6.787 0.663 0.669
173 HB1 ALA 18 HB1 ALA 18 4.597 1.052 1.675
174 HB2 ALA 18 HB2 ALA 18 5.169 -0.587 1.988
175 HB3 ALA 18 HB3 ALA 18 3.936 -0.300 0.757
176 H LEU 19 H LEU 19 4.802 -0.778 -1.840
177 HA LEU 19 HA LEU 19 5.812 -3.429 -1.464
178 HB2 LEU 19 HB2 LEU 19 3.572 -2.914 -2.417
179 HB3 LEU 19 HB3 LEU 19 4.363 -2.290 -3.850
180 HG LEU 19 HG LEU 19 5.319 -4.549 -4.262
181 HD11 LEU 19 HD11 LEU 19 3.539 -5.357 -1.967
182 HD12 LEU 19 HD12 LEU 19 5.303 -5.383 -1.974
183 HD13 LEU 19 HD13 LEU 19 4.400 -6.457 -3.042
184 HD21 LEU 19 HD21 LEU 19 3.264 -3.841 -5.370
185 HD22 LEU 19 HD22 LEU 19 2.317 -4.443 -4.009
186 HD23 LEU 19 HD23 LEU 19 3.231 -5.568 -5.013
187 H LYS 20 H LYS 20 6.978 -0.645 -3.083
188 HA LYS 20 HA LYS 20 8.761 -2.189 -4.779
189 HB2 LYS 20 HB2 LYS 20 8.443 0.778 -4.337
190 HB3 LYS 20 HB3 LYS 20 9.691 0.091 -5.367
191 HG2 LYS 20 HG2 LYS 20 7.961 -0.950 -6.753
192 HG3 LYS 20 HG3 LYS 20 6.721 -0.232 -5.725
193 HD2 LYS 20 HD2 LYS 20 7.484 2.001 -6.349
194 HD3 LYS 20 HD3 LYS 20 8.760 1.296 -7.343
195 HE2 LYS 20 HE2 LYS 20 5.791 0.952 -7.757
196 HE3 LYS 20 HE3 LYS 20 6.854 1.993 -8.706
197 HZ1 LYS 20 HZ1 LYS 20 8.063 0.054 -9.445
198 HZ2 LYS 20 HZ2 LYS 20 6.418 -0.127 -9.808
199 HZ3 LYS 20 HZ3 LYS 20 7.092 -0.963 -8.498
200 H LEU 21 H LEU 21 8.662 -1.162 -1.611
201 HA LEU 21 HA LEU 21 11.553 -1.088 -1.267
202 HB2 LEU 21 HB2 LEU 21 10.119 0.466 0.018
203 HB3 LEU 21 HB3 LEU 21 9.312 -0.902 0.759
204 HG LEU 21 HG LEU 21 11.424 -1.560 1.838
205 HD11 LEU 21 HD11 LEU 21 13.330 -0.019 1.802
206 HD12 LEU 21 HD12 LEU 21 12.498 0.972 0.603
207 HD13 LEU 21 HD13 LEU 21 12.982 -0.676 0.203
208 HD21 LEU 21 HD21 LEU 21 9.881 -0.159 3.064
209 HD22 LEU 21 HD22 LEU 21 10.562 1.290 2.324
210 HD23 LEU 21 HD23 LEU 21 11.538 0.323 3.431
211 H LYS 22 H LYS 22 8.731 -3.023 -0.420
212 HA LYS 22 HA LYS 22 10.511 -5.356 -0.144
213 HB2 LYS 22 HB2 LYS 22 7.904 -4.760 1.268
214 HB3 LYS 22 HB3 LYS 22 8.651 -6.353 1.251
215 HG2 LYS 22 HG2 LYS 22 10.659 -5.362 2.319
216 HG3 LYS 22 HG3 LYS 22 9.789 -3.831 2.439
217 HD2 LYS 22 HD2 LYS 22 9.704 -5.119 4.533
218 HD3 LYS 22 HD3 LYS 22 8.101 -4.870 3.839
219 HE2 LYS 22 HE2 LYS 22 8.414 -7.165 4.681
220 HE3 LYS 22 HE3 LYS 22 8.099 -7.122 2.947
221 HZ1 LYS 22 HZ1 LYS 22 10.817 -7.321 4.127
222 HZ2 LYS 22 HZ2 LYS 22 10.388 -7.505 2.495
223 HZ3 LYS 22 HZ3 LYS 22 9.902 -8.659 3.633
224 H LYS 23 H LYS 23 10.368 -5.722 -2.393
225 HA LYS 23 HA LYS 23 7.875 -5.780 -3.748
226 HB2 LYS 23 HB2 LYS 23 10.530 -6.940 -4.607
227 HB3 LYS 23 HB3 LYS 23 9.133 -6.702 -5.647
228 HG2 LYS 23 HG2 LYS 23 9.332 -4.219 -4.971
229 HG3 LYS 23 HG3 LYS 23 10.963 -4.657 -4.450
230 HD2 LYS 23 HD2 LYS 23 11.368 -5.584 -6.725
231 HD3 LYS 23 HD3 LYS 23 9.788 -4.971 -7.213
232 HE2 LYS 23 HE2 LYS 23 11.330 -3.351 -7.935
233 HE3 LYS 23 HE3 LYS 23 10.622 -2.686 -6.464
234 HZ1 LYS 23 HZ1 LYS 23 12.566 -3.386 -5.230
235 HZ2 LYS 23 HZ2 LYS 23 13.035 -2.409 -6.536
236 HZ3 LYS 23 HZ3 LYS 23 13.234 -4.091 -6.622
237 H ALA 24 H ALA 24 6.653 -7.461 -4.453
238 HA ALA 24 HA ALA 24 7.163 -10.060 -3.171
239 HB1 ALA 24 HB1 ALA 24 5.088 -8.958 -2.444
240 HB2 ALA 24 HB2 ALA 24 4.762 -10.462 -3.306
241 HB3 ALA 24 HB3 ALA 24 4.534 -8.912 -4.116
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 14.747 15.504 5.709
2 H2 LYS 1 H2 LYS 1 14.308 13.898 5.378
3 H3 LYS 1 H3 LYS 1 13.561 15.173 4.547
4 HA LYS 1 HA LYS 1 15.512 15.731 3.396
5 HB2 LYS 1 HB2 LYS 1 17.611 14.504 3.725
6 HB3 LYS 1 HB3 LYS 1 17.114 15.322 5.197
7 HG2 LYS 1 HG2 LYS 1 16.176 13.139 5.984
8 HG3 LYS 1 HG3 LYS 1 16.940 12.386 4.583
9 HD2 LYS 1 HD2 LYS 1 18.410 13.987 6.675
10 HD3 LYS 1 HD3 LYS 1 18.273 12.231 6.687
11 HE2 LYS 1 HE2 LYS 1 20.364 12.635 5.731
12 HE3 LYS 1 HE3 LYS 1 19.321 12.320 4.349
13 HZ1 LYS 1 HZ1 LYS 1 19.887 15.073 5.286
14 HZ2 LYS 1 HZ2 LYS 1 19.292 14.579 3.775
15 HZ3 LYS 1 HZ3 LYS 1 20.906 14.272 4.193
16 H LYS 2 H LYS 2 15.574 14.932 1.379
17 HA LYS 2 HA LYS 2 15.029 13.649 -0.413
18 HB2 LYS 2 HB2 LYS 2 15.199 11.389 1.581
19 HB3 LYS 2 HB3 LYS 2 14.807 11.140 -0.113
20 HG2 LYS 2 HG2 LYS 2 17.358 12.331 0.956
21 HG3 LYS 2 HG3 LYS 2 17.152 10.699 0.314
22 HD2 LYS 2 HD2 LYS 2 16.404 11.768 -1.846
23 HD3 LYS 2 HD3 LYS 2 16.927 13.313 -1.175
24 HE2 LYS 2 HE2 LYS 2 18.700 12.470 -2.532
25 HE3 LYS 2 HE3 LYS 2 19.193 12.314 -0.847
26 HZ1 LYS 2 HZ1 LYS 2 19.709 10.326 -2.145
27 HZ2 LYS 2 HZ2 LYS 2 18.063 10.123 -2.509
28 HZ3 LYS 2 HZ3 LYS 2 18.600 9.983 -0.908
29 H LEU 3 H LEU 3 13.273 11.948 2.166
30 HA LEU 3 HA LEU 3 10.752 13.010 1.114
31 HB2 LEU 3 HB2 LEU 3 11.336 10.105 1.703
32 HB3 LEU 3 HB3 LEU 3 9.729 10.748 1.428
33 HG LEU 3 HG LEU 3 11.967 10.801 -0.603
34 HD11 LEU 3 HD11 LEU 3 9.559 8.996 -0.392
35 HD12 LEU 3 HD12 LEU 3 11.242 8.521 -0.159
36 HD13 LEU 3 HD13 LEU 3 10.687 9.052 -1.747
37 HD21 LEU 3 HD21 LEU 3 10.352 12.616 -0.876
38 HD22 LEU 3 HD22 LEU 3 9.030 11.450 -0.851
39 HD23 LEU 3 HD23 LEU 3 10.200 11.428 -2.170
40 H LYS 4 H LYS 4 10.194 14.249 2.796
41 HA LYS 4 HA LYS 4 10.692 13.483 5.516
42 HB2 LYS 4 HB2 LYS 4 10.676 15.846 4.776
43 HB3 LYS 4 HB3 LYS 4 8.958 15.710 4.428
44 HG2 LYS 4 HG2 LYS 4 8.717 15.054 6.898
45 HG3 LYS 4 HG3 LYS 4 10.344 15.713 7.082
46 HD2 LYS 4 HD2 LYS 4 8.721 17.424 7.606
47 HD3 LYS 4 HD3 LYS 4 9.553 17.843 6.105
48 HE2 LYS 4 HE2 LYS 4 7.674 16.984 4.809
49 HE3 LYS 4 HE3 LYS 4 6.846 16.524 6.295
50 HZ1 LYS 4 HZ1 LYS 4 7.569 19.296 5.510
51 HZ2 LYS 4 HZ2 LYS 4 6.742 18.847 6.921
52 HZ3 LYS 4 HZ3 LYS 4 6.020 18.611 5.408
53 H LEU 5 H LEU 5 7.620 14.320 3.908
54 HA LEU 5 HA LEU 5 6.279 11.941 4.603
55 HB2 LEU 5 HB2 LEU 5 6.524 12.866 6.891
56 HB3 LEU 5 HB3 LEU 5 5.663 14.306 6.381
57 HG LEU 5 HG LEU 5 3.657 12.930 5.930
58 HD11 LEU 5 HD11 LEU 5 5.311 10.706 7.112
59 HD12 LEU 5 HD12 LEU 5 4.722 10.807 5.453
60 HD13 LEU 5 HD13 LEU 5 3.578 10.628 6.785
61 HD21 LEU 5 HD21 LEU 5 4.775 12.642 8.713
62 HD22 LEU 5 HD22 LEU 5 3.076 12.509 8.260
63 HD23 LEU 5 HD23 LEU 5 3.918 14.048 8.080
64 H ALA 6 H ALA 6 5.059 11.886 2.831
65 HA ALA 6 HA ALA 6 3.037 13.880 2.398
66 HB1 ALA 6 HB1 ALA 6 3.683 14.433 0.097
67 HB2 ALA 6 HB2 ALA 6 5.166 13.497 0.291
68 HB3 ALA 6 HB3 ALA 6 4.909 14.952 1.255
69 H LEU 7 H LEU 7 4.750 11.110 1.021
70 HA LEU 7 HA LEU 7 2.419 10.123 -0.329
71 HB2 LEU 7 HB2 LEU 7 5.114 8.865 0.179
72 HB3 LEU 7 HB3 LEU 7 3.866 8.173 -0.842
73 HG LEU 7 HG LEU 7 5.284 10.798 -1.335
74 HD11 LEU 7 HD11 LEU 7 5.538 8.123 -2.704
75 HD12 LEU 7 HD12 LEU 7 6.748 8.887 -1.673
76 HD13 LEU 7 HD13 LEU 7 6.315 9.622 -3.218
77 HD21 LEU 7 HD21 LEU 7 2.988 10.802 -2.170
78 HD22 LEU 7 HD22 LEU 7 3.294 9.293 -3.031
79 HD23 LEU 7 HD23 LEU 7 4.153 10.763 -3.494
80 H ALA 8 H ALA 8 1.234 10.261 1.761
81 HA ALA 8 HA ALA 8 0.830 7.648 2.816
82 HB1 ALA 8 HB1 ALA 8 1.310 8.143 5.171
83 HB2 ALA 8 HB2 ALA 8 1.953 9.721 4.712
84 HB3 ALA 8 HB3 ALA 8 2.769 8.248 4.185
85 H LYS 9 H LYS 9 0.410 11.109 3.429
86 HA LYS 9 HA LYS 9 -2.030 10.952 4.768
87 HB2 LYS 9 HB2 LYS 9 -0.829 13.181 3.130
88 HB3 LYS 9 HB3 LYS 9 -2.295 13.362 4.084
89 HG2 LYS 9 HG2 LYS 9 0.408 12.598 5.179
90 HG3 LYS 9 HG3 LYS 9 -0.311 14.210 5.246
91 HD2 LYS 9 HD2 LYS 9 -1.552 11.735 6.440
92 HD3 LYS 9 HD3 LYS 9 -0.582 12.897 7.346
93 HE2 LYS 9 HE2 LYS 9 -2.179 14.624 7.001
94 HE3 LYS 9 HE3 LYS 9 -3.048 13.668 5.802
95 HZ1 LYS 9 HZ1 LYS 9 -4.073 13.795 8.079
96 HZ2 LYS 9 HZ2 LYS 9 -2.797 12.817 8.627
97 HZ3 LYS 9 HZ3 LYS 9 -3.863 12.234 7.446
98 HA PRO 10 HA PRO 10 -4.400 11.577 0.697
99 HB2 PRO 10 HB2 PRO 10 -3.195 11.537 -1.690
100 HB3 PRO 10 HB3 PRO 10 -3.218 12.995 -0.689
101 HG2 PRO 10 HG2 PRO 10 -1.031 10.971 -1.034
102 HG3 PRO 10 HG3 PRO 10 -0.922 12.741 -1.020
103 HD2 PRO 10 HD2 PRO 10 -0.336 11.188 1.148
104 HD3 PRO 10 HD3 PRO 10 -0.954 12.851 1.271
105 H ALA 11 H ALA 11 -2.214 9.142 1.294
106 HA ALA 11 HA ALA 11 -2.039 6.926 0.829
107 HB1 ALA 11 HB1 ALA 11 -4.341 6.892 1.652
108 HB2 ALA 11 HB2 ALA 11 -4.101 5.697 0.377
109 HB3 ALA 11 HB3 ALA 11 -4.932 7.210 0.020
110 H LEU 12 H LEU 12 -1.274 8.783 -1.179
111 HA LEU 12 HA LEU 12 -2.144 7.786 -3.734
112 HB2 LEU 12 HB2 LEU 12 -1.637 10.146 -3.460
113 HB3 LEU 12 HB3 LEU 12 -0.000 9.766 -2.963
114 HG LEU 12 HG LEU 12 0.415 8.826 -5.239
115 HD11 LEU 12 HD11 LEU 12 -2.279 10.031 -5.842
116 HD12 LEU 12 HD12 LEU 12 -1.883 8.312 -5.852
117 HD13 LEU 12 HD13 LEU 12 -1.146 9.395 -7.033
118 HD21 LEU 12 HD21 LEU 12 -0.499 11.702 -5.184
119 HD22 LEU 12 HD22 LEU 12 0.627 10.982 -6.336
120 HD23 LEU 12 HD23 LEU 12 1.072 11.116 -4.635
121 H LEU 13 H LEU 13 -1.429 5.949 -4.510
122 HA LEU 13 HA LEU 13 -0.063 4.270 -5.192
123 HB2 LEU 13 HB2 LEU 13 2.122 6.310 -4.750
124 HB3 LEU 13 HB3 LEU 13 2.315 4.795 -5.611
125 HG LEU 13 HG LEU 13 0.505 7.056 -6.472
126 HD11 LEU 13 HD11 LEU 13 2.885 7.630 -6.644
127 HD12 LEU 13 HD12 LEU 13 2.136 7.444 -8.230
128 HD13 LEU 13 HD13 LEU 13 3.163 6.165 -7.583
129 HD21 LEU 13 HD21 LEU 13 0.343 5.775 -8.564
130 HD22 LEU 13 HD22 LEU 13 -0.320 4.892 -7.188
131 HD23 LEU 13 HD23 LEU 13 1.271 4.471 -7.822
132 H TRP 14 H TRP 14 -0.734 4.466 -2.392
133 HA TRP 14 HA TRP 14 1.613 4.053 -0.802
134 HB2 TRP 14 HB2 TRP 14 -0.661 5.044 -0.069
135 HB3 TRP 14 HB3 TRP 14 -1.215 3.379 0.006
136 HD1 TRP 14 HD1 TRP 14 2.093 2.899 1.173
137 HE1 TRP 14 HE1 TRP 14 2.301 3.089 3.732
138 HE3 TRP 14 HE3 TRP 14 -2.323 5.279 2.164
139 HZ2 TRP 14 HZ2 TRP 14 0.787 4.121 5.884
140 HZ3 TRP 14 HZ3 TRP 14 -2.865 5.834 4.496
141 HH2 TRP 14 HH2 TRP 14 -1.343 5.267 6.317
142 H LYS 15 H LYS 15 -0.742 2.145 -2.484
143 HA LYS 15 HA LYS 15 -0.085 -0.349 -1.347
144 HB2 LYS 15 HB2 LYS 15 -1.275 0.269 -4.055
145 HB3 LYS 15 HB3 LYS 15 -1.235 -1.322 -3.307
146 HG2 LYS 15 HG2 LYS 15 -2.632 -0.469 -1.469
147 HG3 LYS 15 HG3 LYS 15 -2.709 1.097 -2.279
148 HD2 LYS 15 HD2 LYS 15 -3.737 -0.014 -4.237
149 HD3 LYS 15 HD3 LYS 15 -3.736 -1.535 -3.341
150 HE2 LYS 15 HE2 LYS 15 -5.919 -0.535 -3.188
151 HE3 LYS 15 HE3 LYS 15 -5.139 -0.463 -1.608
152 HZ1 LYS 15 HZ1 LYS 15 -4.571 1.848 -2.030
153 HZ2 LYS 15 HZ2 LYS 15 -6.244 1.622 -2.152
154 HZ3 LYS 15 HZ3 LYS 15 -5.308 1.778 -3.556
155 H ALA 16 H ALA 16 1.465 1.653 -3.638
156 HA ALA 16 HA ALA 16 3.131 -0.543 -4.636
157 HB1 ALA 16 HB1 ALA 16 2.132 0.893 -6.325
158 HB2 ALA 16 HB2 ALA 16 3.888 1.052 -6.332
159 HB3 ALA 16 HB3 ALA 16 2.892 2.307 -5.594
160 H LEU 17 H LEU 17 3.123 1.695 -2.192
161 HA LEU 17 HA LEU 17 5.929 2.389 -2.316
162 HB2 LEU 17 HB2 LEU 17 3.791 2.960 -0.266
163 HB3 LEU 17 HB3 LEU 17 5.456 3.483 -0.101
164 HG LEU 17 HG LEU 17 3.576 4.313 -2.313
165 HD11 LEU 17 HD11 LEU 17 4.584 5.839 0.081
166 HD12 LEU 17 HD12 LEU 17 2.940 5.246 -0.157
167 HD13 LEU 17 HD13 LEU 17 3.593 6.492 -1.222
168 HD21 LEU 17 HD21 LEU 17 5.894 4.257 -3.046
169 HD22 LEU 17 HD22 LEU 17 6.376 5.221 -1.649
170 HD23 LEU 17 HD23 LEU 17 5.332 5.921 -2.887
171 H ALA 18 H ALA 18 4.255 -0.282 -1.493
172 HA ALA 18 HA ALA 18 5.586 -1.119 0.854
173 HB1 ALA 18 HB1 ALA 18 3.496 -2.135 0.079
174 HB2 ALA 18 HB2 ALA 18 4.761 -3.344 0.306
175 HB3 ALA 18 HB3 ALA 18 4.341 -2.797 -1.319
176 H LEU 19 H LEU 19 6.554 -0.760 -2.370
177 HA LEU 19 HA LEU 19 8.956 -2.405 -1.917
178 HB2 LEU 19 HB2 LEU 19 7.812 -1.550 -4.580
179 HB3 LEU 19 HB3 LEU 19 9.153 -2.646 -4.315
180 HG LEU 19 HG LEU 19 6.271 -3.191 -3.589
181 HD11 LEU 19 HD11 LEU 19 8.006 -4.322 -5.780
182 HD12 LEU 19 HD12 LEU 19 6.660 -3.204 -5.996
183 HD13 LEU 19 HD13 LEU 19 6.362 -4.832 -5.391
184 HD21 LEU 19 HD21 LEU 19 7.042 -5.457 -3.100
185 HD22 LEU 19 HD22 LEU 19 7.827 -4.276 -2.051
186 HD23 LEU 19 HD23 LEU 19 8.704 -4.966 -3.417
187 H LYS 20 H LYS 20 8.587 0.266 -0.950
188 HA LYS 20 HA LYS 20 9.639 2.221 -2.683
189 HB2 LYS 20 HB2 LYS 20 9.971 3.583 -0.657
190 HB3 LYS 20 HB3 LYS 20 8.374 2.855 -0.713
191 HG2 LYS 20 HG2 LYS 20 9.052 1.172 0.890
192 HG3 LYS 20 HG3 LYS 20 10.695 1.814 0.901
193 HD2 LYS 20 HD2 LYS 20 9.852 3.942 1.783
194 HD3 LYS 20 HD3 LYS 20 8.210 3.292 1.768
195 HE2 LYS 20 HE2 LYS 20 8.836 1.586 3.373
196 HE3 LYS 20 HE3 LYS 20 10.509 2.139 3.348
197 HZ1 LYS 20 HZ1 LYS 20 9.294 2.952 5.284
198 HZ2 LYS 20 HZ2 LYS 20 8.187 3.747 4.278
199 HZ3 LYS 20 HZ3 LYS 20 9.809 4.235 4.302
200 H LEU 21 H LEU 21 11.202 -0.106 -0.574
201 HA LEU 21 HA LEU 21 13.785 1.169 -1.155
202 HB2 LEU 21 HB2 LEU 21 12.987 -0.805 0.975
203 HB3 LEU 21 HB3 LEU 21 14.651 -0.355 0.659
204 HG LEU 21 HG LEU 21 12.477 1.560 1.507
205 HD11 LEU 21 HD11 LEU 21 14.742 0.342 3.078
206 HD12 LEU 21 HD12 LEU 21 13.024 0.001 3.291
207 HD13 LEU 21 HD13 LEU 21 13.658 1.608 3.653
208 HD21 LEU 21 HD21 LEU 21 14.228 2.597 0.149
209 HD22 LEU 21 HD22 LEU 21 15.456 1.938 1.229
210 HD23 LEU 21 HD23 LEU 21 14.308 3.136 1.825
211 H LYS 22 H LYS 22 11.843 -1.487 -1.947
212 HA LYS 22 HA LYS 22 12.135 -3.406 -3.132
213 HB2 LYS 22 HB2 LYS 22 14.684 -2.047 -4.050
214 HB3 LYS 22 HB3 LYS 22 13.966 -3.465 -4.797
215 HG2 LYS 22 HG2 LYS 22 12.061 -2.211 -5.504
216 HG3 LYS 22 HG3 LYS 22 12.591 -0.798 -4.589
217 HD2 LYS 22 HD2 LYS 22 14.065 -2.042 -6.910
218 HD3 LYS 22 HD3 LYS 22 13.077 -0.581 -6.994
219 HE2 LYS 22 HE2 LYS 22 14.585 0.456 -5.299
220 HE3 LYS 22 HE3 LYS 22 15.605 -0.980 -5.398
221 HZ1 LYS 22 HZ1 LYS 22 14.975 0.827 -7.674
222 HZ2 LYS 22 HZ2 LYS 22 16.004 -0.518 -7.727
223 HZ3 LYS 22 HZ3 LYS 22 16.424 0.831 -6.796
224 H LYS 23 H LYS 23 13.011 -3.278 -0.456
225 HA LYS 23 HA LYS 23 14.208 -4.327 1.141
226 HB2 LYS 23 HB2 LYS 23 14.814 -6.234 -1.119
227 HB3 LYS 23 HB3 LYS 23 15.304 -6.507 0.548
228 HG2 LYS 23 HG2 LYS 23 12.863 -6.303 1.164
229 HG3 LYS 23 HG3 LYS 23 12.522 -6.375 -0.567
230 HD2 LYS 23 HD2 LYS 23 13.533 -8.550 -0.732
231 HD3 LYS 23 HD3 LYS 23 14.091 -8.467 0.940
232 HE2 LYS 23 HE2 LYS 23 11.255 -8.655 -0.047
233 HE3 LYS 23 HE3 LYS 23 12.151 -9.855 0.882
234 HZ1 LYS 23 HZ1 LYS 23 10.763 -8.762 2.406
235 HZ2 LYS 23 HZ2 LYS 23 11.130 -7.229 1.791
236 HZ3 LYS 23 HZ3 LYS 23 12.299 -8.088 2.670
237 H ALA 24 H ALA 24 15.466 -2.347 1.054
238 HA ALA 24 HA ALA 24 18.238 -2.838 0.190
239 HB1 ALA 24 HB1 ALA 24 16.778 -0.200 0.367
240 HB2 ALA 24 HB2 ALA 24 17.221 -1.047 -1.115
241 HB3 ALA 24 HB3 ALA 24 18.476 -0.403 -0.057
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -8.248 14.688 15.279
2 H2 LYS 1 H2 LYS 1 -7.641 15.050 16.821
3 H3 LYS 1 H3 LYS 1 -7.146 15.961 15.477
4 HA LYS 1 HA LYS 1 -9.894 15.851 16.581
5 HB2 LYS 1 HB2 LYS 1 -8.200 17.092 17.957
6 HB3 LYS 1 HB3 LYS 1 -7.907 18.134 16.574
7 HG2 LYS 1 HG2 LYS 1 -9.366 19.291 18.040
8 HG3 LYS 1 HG3 LYS 1 -10.320 18.779 16.647
9 HD2 LYS 1 HD2 LYS 1 -11.325 17.011 17.873
10 HD3 LYS 1 HD3 LYS 1 -10.194 17.204 19.213
11 HE2 LYS 1 HE2 LYS 1 -12.320 18.145 19.835
12 HE3 LYS 1 HE3 LYS 1 -11.150 19.447 19.641
13 HZ1 LYS 1 HZ1 LYS 1 -13.203 18.637 17.653
14 HZ2 LYS 1 HZ2 LYS 1 -12.070 19.878 17.434
15 HZ3 LYS 1 HZ3 LYS 1 -13.259 20.014 18.634
16 H LYS 2 H LYS 2 -7.791 17.905 14.559
17 HA LYS 2 HA LYS 2 -10.024 18.184 12.654
18 HB2 LYS 2 HB2 LYS 2 -7.640 19.991 13.129
19 HB3 LYS 2 HB3 LYS 2 -8.885 20.257 11.916
20 HG2 LYS 2 HG2 LYS 2 -10.537 20.655 13.555
21 HG3 LYS 2 HG3 LYS 2 -9.497 20.058 14.849
22 HD2 LYS 2 HD2 LYS 2 -9.568 22.469 14.929
23 HD3 LYS 2 HD3 LYS 2 -7.958 21.944 14.435
24 HE2 LYS 2 HE2 LYS 2 -8.579 22.368 12.083
25 HE3 LYS 2 HE3 LYS 2 -10.144 22.972 12.631
26 HZ1 LYS 2 HZ1 LYS 2 -7.495 24.121 13.336
27 HZ2 LYS 2 HZ2 LYS 2 -8.990 24.693 13.890
28 HZ3 LYS 2 HZ3 LYS 2 -8.606 24.786 12.241
29 H LEU 3 H LEU 3 -9.798 17.465 10.628
30 HA LEU 3 HA LEU 3 -8.951 16.477 8.778
31 HB2 LEU 3 HB2 LEU 3 -6.459 17.778 9.803
32 HB3 LEU 3 HB3 LEU 3 -6.364 16.650 8.467
33 HG LEU 3 HG LEU 3 -8.005 18.088 7.231
34 HD11 LEU 3 HD11 LEU 3 -9.026 19.221 9.117
35 HD12 LEU 3 HD12 LEU 3 -8.329 20.389 7.995
36 HD13 LEU 3 HD13 LEU 3 -7.493 20.005 9.500
37 HD21 LEU 3 HD21 LEU 3 -6.369 19.798 6.629
38 HD22 LEU 3 HD22 LEU 3 -5.609 18.214 6.791
39 HD23 LEU 3 HD23 LEU 3 -5.430 19.414 8.071
40 H LYS 4 H LYS 4 -9.066 14.390 8.652
41 HA LYS 4 HA LYS 4 -7.448 12.747 10.481
42 HB2 LYS 4 HB2 LYS 4 -10.035 12.142 9.038
43 HB3 LYS 4 HB3 LYS 4 -9.137 10.971 9.996
44 HG2 LYS 4 HG2 LYS 4 -9.540 12.145 11.998
45 HG3 LYS 4 HG3 LYS 4 -10.111 13.573 11.138
46 HD2 LYS 4 HD2 LYS 4 -11.490 10.891 11.121
47 HD3 LYS 4 HD3 LYS 4 -11.933 12.241 12.170
48 HE2 LYS 4 HE2 LYS 4 -12.322 13.618 10.148
49 HE3 LYS 4 HE3 LYS 4 -11.998 12.200 9.152
50 HZ1 LYS 4 HZ1 LYS 4 -14.350 12.479 9.424
51 HZ2 LYS 4 HZ2 LYS 4 -14.207 12.527 11.111
52 HZ3 LYS 4 HZ3 LYS 4 -13.871 11.089 10.274
53 H LEU 5 H LEU 5 -5.608 12.278 9.455
54 HA LEU 5 HA LEU 5 -5.467 12.052 6.594
55 HB2 LEU 5 HB2 LEU 5 -3.387 11.547 8.720
56 HB3 LEU 5 HB3 LEU 5 -3.068 11.596 6.998
57 HG LEU 5 HG LEU 5 -4.062 13.917 8.656
58 HD11 LEU 5 HD11 LEU 5 -1.350 13.353 7.463
59 HD12 LEU 5 HD12 LEU 5 -1.759 13.353 9.179
60 HD13 LEU 5 HD13 LEU 5 -1.831 14.853 8.253
61 HD21 LEU 5 HD21 LEU 5 -3.618 15.240 6.640
62 HD22 LEU 5 HD22 LEU 5 -4.867 14.024 6.366
63 HD23 LEU 5 HD23 LEU 5 -3.231 13.762 5.761
64 H ALA 6 H ALA 6 -7.157 10.226 6.852
65 HA ALA 6 HA ALA 6 -5.659 7.710 6.573
66 HB1 ALA 6 HB1 ALA 6 -7.490 6.470 7.616
67 HB2 ALA 6 HB2 ALA 6 -8.351 7.980 7.921
68 HB3 ALA 6 HB3 ALA 6 -6.818 7.658 8.733
69 H LEU 7 H LEU 7 -7.979 9.920 5.420
70 HA LEU 7 HA LEU 7 -9.028 8.022 3.458
71 HB2 LEU 7 HB2 LEU 7 -9.906 10.837 4.126
72 HB3 LEU 7 HB3 LEU 7 -10.649 9.826 2.905
73 HG LEU 7 HG LEU 7 -12.100 9.671 4.713
74 HD11 LEU 7 HD11 LEU 7 -11.915 7.393 5.564
75 HD12 LEU 7 HD12 LEU 7 -10.252 7.311 4.981
76 HD13 LEU 7 HD13 LEU 7 -11.581 7.480 3.833
77 HD21 LEU 7 HD21 LEU 7 -9.713 9.355 6.527
78 HD22 LEU 7 HD22 LEU 7 -11.399 9.266 7.034
79 HD23 LEU 7 HD23 LEU 7 -10.753 10.775 6.387
80 H ALA 8 H ALA 8 -6.645 8.205 2.707
81 HA ALA 8 HA ALA 8 -6.509 9.586 0.282
82 HB1 ALA 8 HB1 ALA 8 -4.805 11.282 0.778
83 HB2 ALA 8 HB2 ALA 8 -4.939 10.905 2.496
84 HB3 ALA 8 HB3 ALA 8 -6.312 11.603 1.638
85 H LYS 9 H LYS 9 -4.355 8.742 2.989
86 HA LYS 9 HA LYS 9 -2.111 8.125 1.483
87 HB2 LYS 9 HB2 LYS 9 -1.992 8.523 3.868
88 HB3 LYS 9 HB3 LYS 9 -2.921 7.065 4.187
89 HG2 LYS 9 HG2 LYS 9 -1.147 5.664 3.496
90 HG3 LYS 9 HG3 LYS 9 -0.263 7.018 2.792
91 HD2 LYS 9 HD2 LYS 9 -0.858 6.669 5.729
92 HD3 LYS 9 HD3 LYS 9 0.682 6.300 4.947
93 HE2 LYS 9 HE2 LYS 9 -0.650 9.006 5.052
94 HE3 LYS 9 HE3 LYS 9 0.724 8.496 6.031
95 HZ1 LYS 9 HZ1 LYS 9 1.332 9.846 4.070
96 HZ2 LYS 9 HZ2 LYS 9 0.752 8.615 3.057
97 HZ3 LYS 9 HZ3 LYS 9 2.073 8.321 4.084
98 HA PRO 10 HA PRO 10 -3.366 3.360 1.824
99 HB2 PRO 10 HB2 PRO 10 -6.311 3.730 1.598
100 HB3 PRO 10 HB3 PRO 10 -5.394 2.513 2.492
101 HG2 PRO 10 HG2 PRO 10 -6.558 4.529 3.770
102 HG3 PRO 10 HG3 PRO 10 -4.955 3.952 4.259
103 HD2 PRO 10 HD2 PRO 10 -5.697 6.397 2.708
104 HD3 PRO 10 HD3 PRO 10 -4.428 6.173 3.930
105 H ALA 11 H ALA 11 -5.005 5.823 -0.030
106 HA ALA 11 HA ALA 11 -5.131 4.075 -2.377
107 HB1 ALA 11 HB1 ALA 11 -6.221 6.860 -1.992
108 HB2 ALA 11 HB2 ALA 11 -7.138 5.364 -1.819
109 HB3 ALA 11 HB3 ALA 11 -6.488 5.821 -3.393
110 H LEU 12 H LEU 12 -3.770 7.168 -1.310
111 HA LEU 12 HA LEU 12 -2.424 7.532 -3.862
112 HB2 LEU 12 HB2 LEU 12 -3.574 9.340 -2.374
113 HB3 LEU 12 HB3 LEU 12 -2.078 9.304 -1.467
114 HG LEU 12 HG LEU 12 -2.205 11.146 -3.133
115 HD11 LEU 12 HD11 LEU 12 0.025 10.827 -4.085
116 HD12 LEU 12 HD12 LEU 12 -0.036 9.120 -3.643
117 HD13 LEU 12 HD13 LEU 12 -0.033 10.355 -2.386
118 HD21 LEU 12 HD21 LEU 12 -2.106 8.903 -5.143
119 HD22 LEU 12 HD22 LEU 12 -1.969 10.624 -5.506
120 HD23 LEU 12 HD23 LEU 12 -3.474 9.977 -4.852
121 H LEU 13 H LEU 13 -0.865 6.015 -3.985
122 HA LEU 13 HA LEU 13 1.215 5.158 -3.834
123 HB2 LEU 13 HB2 LEU 13 1.797 7.586 -3.920
124 HB3 LEU 13 HB3 LEU 13 1.862 7.586 -2.167
125 HG LEU 13 HG LEU 13 3.705 5.942 -2.245
126 HD11 LEU 13 HD11 LEU 13 3.169 4.844 -4.333
127 HD12 LEU 13 HD12 LEU 13 4.813 5.482 -4.384
128 HD13 LEU 13 HD13 LEU 13 3.513 6.325 -5.226
129 HD21 LEU 13 HD21 LEU 13 4.149 8.448 -3.865
130 HD22 LEU 13 HD22 LEU 13 5.417 7.476 -3.117
131 HD23 LEU 13 HD23 LEU 13 4.231 8.304 -2.109
132 H TRP 14 H TRP 14 -0.181 3.696 -2.386
133 HA TRP 14 HA TRP 14 1.240 3.408 0.179
134 HB2 TRP 14 HB2 TRP 14 -1.078 3.872 0.653
135 HB3 TRP 14 HB3 TRP 14 -1.614 2.686 -0.529
136 HD1 TRP 14 HD1 TRP 14 0.190 2.808 2.891
137 HE1 TRP 14 HE1 TRP 14 -0.356 0.626 4.151
138 HE3 TRP 14 HE3 TRP 14 -2.453 0.408 -0.765
139 HZ2 TRP 14 HZ2 TRP 14 -1.730 -1.782 3.654
140 HZ3 TRP 14 HZ3 TRP 14 -3.353 -1.832 -0.290
141 HH2 TRP 14 HH2 TRP 14 -2.998 -2.902 1.872
142 H LYS 15 H LYS 15 -0.526 1.586 -2.312
143 HA LYS 15 HA LYS 15 0.524 -0.946 -1.649
144 HB2 LYS 15 HB2 LYS 15 -1.539 -0.344 -3.076
145 HB3 LYS 15 HB3 LYS 15 -0.403 -0.148 -4.404
146 HG2 LYS 15 HG2 LYS 15 -1.261 -2.324 -4.606
147 HG3 LYS 15 HG3 LYS 15 0.353 -2.517 -3.917
148 HD2 LYS 15 HD2 LYS 15 -0.561 -2.816 -1.716
149 HD3 LYS 15 HD3 LYS 15 -2.186 -2.437 -2.295
150 HE2 LYS 15 HE2 LYS 15 -2.008 -4.435 -3.805
151 HE3 LYS 15 HE3 LYS 15 -0.511 -4.849 -2.970
152 HZ1 LYS 15 HZ1 LYS 15 -1.730 -5.011 -0.901
153 HZ2 LYS 15 HZ2 LYS 15 -2.426 -6.030 -2.066
154 HZ3 LYS 15 HZ3 LYS 15 -3.170 -4.557 -1.677
155 H ALA 16 H ALA 16 1.381 1.389 -4.176
156 HA ALA 16 HA ALA 16 3.568 -0.175 -5.163
157 HB1 ALA 16 HB1 ALA 16 2.302 1.334 -6.611
158 HB2 ALA 16 HB2 ALA 16 4.020 1.737 -6.600
159 HB3 ALA 16 HB3 ALA 16 2.877 2.715 -5.678
160 H LEU 17 H LEU 17 3.208 1.963 -2.532
161 HA LEU 17 HA LEU 17 5.950 2.900 -2.566
162 HB2 LEU 17 HB2 LEU 17 4.103 4.345 -1.766
163 HB3 LEU 17 HB3 LEU 17 3.810 3.216 -0.457
164 HG LEU 17 HG LEU 17 6.103 3.670 0.394
165 HD11 LEU 17 HD11 LEU 17 6.112 5.803 -1.739
166 HD12 LEU 17 HD12 LEU 17 7.153 4.380 -1.678
167 HD13 LEU 17 HD13 LEU 17 7.298 5.632 -0.445
168 HD21 LEU 17 HD21 LEU 17 4.175 4.831 1.321
169 HD22 LEU 17 HD22 LEU 17 4.327 6.086 0.093
170 HD23 LEU 17 HD23 LEU 17 5.595 5.876 1.299
171 H ALA 18 H ALA 18 4.002 0.450 -1.141
172 HA ALA 18 HA ALA 18 5.637 -0.228 1.043
173 HB1 ALA 18 HB1 ALA 18 3.646 -1.928 -0.452
174 HB2 ALA 18 HB2 ALA 18 3.289 -0.864 0.908
175 HB3 ALA 18 HB3 ALA 18 4.313 -2.279 1.143
176 H LEU 19 H LEU 19 5.998 -0.788 -2.300
177 HA LEU 19 HA LEU 19 7.952 -2.913 -1.781
178 HB2 LEU 19 HB2 LEU 19 7.846 -3.397 -4.184
179 HB3 LEU 19 HB3 LEU 19 6.287 -3.548 -3.403
180 HG LEU 19 HG LEU 19 6.036 -1.046 -4.295
181 HD11 LEU 19 HD11 LEU 19 7.888 -2.352 -6.283
182 HD12 LEU 19 HD12 LEU 19 8.261 -0.951 -5.278
183 HD13 LEU 19 HD13 LEU 19 7.014 -0.838 -6.521
184 HD21 LEU 19 HD21 LEU 19 4.520 -2.886 -4.755
185 HD22 LEU 19 HD22 LEU 19 5.643 -3.530 -5.953
186 HD23 LEU 19 HD23 LEU 19 4.859 -1.973 -6.225
187 H LYS 20 H LYS 20 7.569 0.328 -3.016
188 HA LYS 20 HA LYS 20 10.169 0.595 -4.131
189 HB2 LYS 20 HB2 LYS 20 8.010 2.505 -3.328
190 HB3 LYS 20 HB3 LYS 20 9.617 3.128 -3.670
191 HG2 LYS 20 HG2 LYS 20 9.507 2.072 -5.905
192 HG3 LYS 20 HG3 LYS 20 7.848 1.580 -5.547
193 HD2 LYS 20 HD2 LYS 20 7.079 3.797 -5.485
194 HD3 LYS 20 HD3 LYS 20 8.712 4.450 -5.337
195 HE2 LYS 20 HE2 LYS 20 7.910 4.862 -7.561
196 HE3 LYS 20 HE3 LYS 20 9.187 3.653 -7.633
197 HZ1 LYS 20 HZ1 LYS 20 7.445 1.934 -7.752
198 HZ2 LYS 20 HZ2 LYS 20 7.393 3.014 -9.057
199 HZ3 LYS 20 HZ3 LYS 20 6.264 3.153 -7.800
200 H LEU 21 H LEU 21 8.786 1.859 -1.098
201 HA LEU 21 HA LEU 21 11.533 2.096 -0.068
202 HB2 LEU 21 HB2 LEU 21 9.021 3.525 0.819
203 HB3 LEU 21 HB3 LEU 21 10.615 3.740 1.521
204 HG LEU 21 HG LEU 21 9.803 4.467 -1.299
205 HD11 LEU 21 HD11 LEU 21 10.512 6.177 1.083
206 HD12 LEU 21 HD12 LEU 21 8.905 5.981 0.385
207 HD13 LEU 21 HD13 LEU 21 10.180 6.765 -0.547
208 HD21 LEU 21 HD21 LEU 21 12.441 4.833 0.119
209 HD22 LEU 21 HD22 LEU 21 12.040 5.419 -1.496
210 HD23 LEU 21 HD23 LEU 21 12.121 3.684 -1.180
211 H LYS 22 H LYS 22 9.503 -0.174 -0.139
212 HA LYS 22 HA LYS 22 8.913 -1.948 1.118
213 HB2 LYS 22 HB2 LYS 22 11.201 -0.882 2.759
214 HB3 LYS 22 HB3 LYS 22 10.335 -2.346 3.207
215 HG2 LYS 22 HG2 LYS 22 10.924 -3.331 1.032
216 HG3 LYS 22 HG3 LYS 22 11.841 -1.875 0.641
217 HD2 LYS 22 HD2 LYS 22 13.329 -2.266 2.505
218 HD3 LYS 22 HD3 LYS 22 12.372 -3.658 3.016
219 HE2 LYS 22 HE2 LYS 22 14.374 -4.363 1.818
220 HE3 LYS 22 HE3 LYS 22 12.914 -4.807 0.937
221 HZ1 LYS 22 HZ1 LYS 22 14.500 -2.370 0.338
222 HZ2 LYS 22 HZ2 LYS 22 13.255 -3.051 -0.592
223 HZ3 LYS 22 HZ3 LYS 22 14.738 -3.855 -0.443
224 H LYS 23 H LYS 23 9.047 -2.131 4.010
225 HA LYS 23 HA LYS 23 7.728 -1.862 5.808
226 HB2 LYS 23 HB2 LYS 23 8.459 0.503 5.723
227 HB3 LYS 23 HB3 LYS 23 7.093 0.875 4.679
228 HG2 LYS 23 HG2 LYS 23 6.740 1.490 7.050
229 HG3 LYS 23 HG3 LYS 23 5.539 0.355 6.429
230 HD2 LYS 23 HD2 LYS 23 6.872 -1.497 7.428
231 HD3 LYS 23 HD3 LYS 23 7.920 -0.284 8.166
232 HE2 LYS 23 HE2 LYS 23 6.135 0.565 9.489
233 HE3 LYS 23 HE3 LYS 23 4.947 -0.391 8.599
234 HZ1 LYS 23 HZ1 LYS 23 7.125 -1.528 10.264
235 HZ2 LYS 23 HZ2 LYS 23 5.897 -2.396 9.475
236 HZ3 LYS 23 HZ3 LYS 23 5.512 -1.365 10.762
237 H ALA 24 H ALA 24 6.565 -3.565 4.637
238 HA ALA 24 HA ALA 24 3.792 -2.701 4.159
239 HB1 ALA 24 HB1 ALA 24 5.221 -4.992 2.808
240 HB2 ALA 24 HB2 ALA 24 4.815 -3.445 2.064
241 HB3 ALA 24 HB3 ALA 24 3.531 -4.539 2.575
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -1.642 17.158 2.661
2 H2 LYS 1 H2 LYS 1 -0.481 18.126 3.429
3 H3 LYS 1 H3 LYS 1 -0.332 16.437 3.461
4 HA LYS 1 HA LYS 1 -0.223 18.110 1.020
5 HB2 LYS 1 HB2 LYS 1 1.706 18.500 2.496
6 HB3 LYS 1 HB3 LYS 1 2.011 16.772 2.565
7 HG2 LYS 1 HG2 LYS 1 3.552 17.815 1.042
8 HG3 LYS 1 HG3 LYS 1 2.448 16.770 0.148
9 HD2 LYS 1 HD2 LYS 1 1.139 18.687 -0.541
10 HD3 LYS 1 HD3 LYS 1 2.160 19.762 0.420
11 HE2 LYS 1 HE2 LYS 1 4.082 19.199 -0.968
12 HE3 LYS 1 HE3 LYS 1 3.099 18.069 -1.896
13 HZ1 LYS 1 HZ1 LYS 1 2.692 21.008 -1.746
14 HZ2 LYS 1 HZ2 LYS 1 1.725 19.926 -2.620
15 HZ3 LYS 1 HZ3 LYS 1 3.348 20.158 -3.057
16 H LYS 2 H LYS 2 0.833 14.954 2.345
17 HA LYS 2 HA LYS 2 0.829 13.809 -0.298
18 HB2 LYS 2 HB2 LYS 2 1.258 12.461 2.377
19 HB3 LYS 2 HB3 LYS 2 1.563 11.744 0.802
20 HG2 LYS 2 HG2 LYS 2 3.673 12.368 1.431
21 HG3 LYS 2 HG3 LYS 2 3.170 13.781 0.504
22 HD2 LYS 2 HD2 LYS 2 2.574 14.932 2.570
23 HD3 LYS 2 HD3 LYS 2 3.034 13.508 3.505
24 HE2 LYS 2 HE2 LYS 2 5.341 13.736 2.631
25 HE3 LYS 2 HE3 LYS 2 4.849 15.219 1.808
26 HZ1 LYS 2 HZ1 LYS 2 5.894 15.770 3.874
27 HZ2 LYS 2 HZ2 LYS 2 4.874 14.733 4.741
28 HZ3 LYS 2 HZ3 LYS 2 4.245 16.127 4.007
29 H LEU 3 H LEU 3 -1.321 13.886 2.434
30 HA LEU 3 HA LEU 3 -2.803 11.565 1.959
31 HB2 LEU 3 HB2 LEU 3 -3.641 14.179 3.200
32 HB3 LEU 3 HB3 LEU 3 -4.615 12.722 3.238
33 HG LEU 3 HG LEU 3 -1.881 13.034 4.478
34 HD11 LEU 3 HD11 LEU 3 -3.078 12.887 6.604
35 HD12 LEU 3 HD12 LEU 3 -4.614 12.865 5.739
36 HD13 LEU 3 HD13 LEU 3 -3.582 14.295 5.671
37 HD21 LEU 3 HD21 LEU 3 -2.295 10.759 3.697
38 HD22 LEU 3 HD22 LEU 3 -3.824 10.730 4.572
39 HD23 LEU 3 HD23 LEU 3 -2.304 10.842 5.457
40 H LYS 4 H LYS 4 -2.908 14.643 0.352
41 HA LYS 4 HA LYS 4 -5.418 13.955 -0.971
42 HB2 LYS 4 HB2 LYS 4 -3.830 16.463 -0.674
43 HB3 LYS 4 HB3 LYS 4 -4.882 16.304 -2.075
44 HG2 LYS 4 HG2 LYS 4 -6.029 17.464 -0.296
45 HG3 LYS 4 HG3 LYS 4 -6.792 15.904 -0.588
46 HD2 LYS 4 HD2 LYS 4 -5.458 14.996 1.333
47 HD3 LYS 4 HD3 LYS 4 -4.941 16.646 1.671
48 HE2 LYS 4 HE2 LYS 4 -7.786 15.641 1.659
49 HE3 LYS 4 HE3 LYS 4 -6.819 16.010 3.086
50 HZ1 LYS 4 HZ1 LYS 4 -6.688 18.317 2.325
51 HZ2 LYS 4 HZ2 LYS 4 -8.291 17.827 2.593
52 HZ3 LYS 4 HZ3 LYS 4 -7.694 17.946 1.011
53 H LEU 5 H LEU 5 -2.440 12.971 -1.418
54 HA LEU 5 HA LEU 5 -2.606 13.142 -4.356
55 HB2 LEU 5 HB2 LEU 5 -0.130 12.861 -2.648
56 HB3 LEU 5 HB3 LEU 5 -0.158 12.896 -4.400
57 HG LEU 5 HG LEU 5 -0.946 15.181 -2.585
58 HD11 LEU 5 HD11 LEU 5 1.078 16.250 -3.406
59 HD12 LEU 5 HD12 LEU 5 1.472 14.812 -4.345
60 HD13 LEU 5 HD13 LEU 5 1.457 14.736 -2.583
61 HD21 LEU 5 HD21 LEU 5 -2.220 15.185 -4.667
62 HD22 LEU 5 HD22 LEU 5 -0.721 15.054 -5.590
63 HD23 LEU 5 HD23 LEU 5 -1.047 16.503 -4.636
64 H ALA 6 H ALA 6 -3.083 11.172 -1.815
65 HA ALA 6 HA ALA 6 -1.651 8.826 -2.527
66 HB1 ALA 6 HB1 ALA 6 -2.442 9.280 -0.235
67 HB2 ALA 6 HB2 ALA 6 -2.967 7.706 -0.834
68 HB3 ALA 6 HB3 ALA 6 -4.103 9.054 -0.784
69 H LEU 7 H LEU 7 -4.944 9.940 -3.155
70 HA LEU 7 HA LEU 7 -5.628 7.474 -4.520
71 HB2 LEU 7 HB2 LEU 7 -7.226 8.809 -3.090
72 HB3 LEU 7 HB3 LEU 7 -7.236 10.024 -4.351
73 HG LEU 7 HG LEU 7 -8.151 8.352 -5.930
74 HD11 LEU 7 HD11 LEU 7 -9.010 6.232 -5.084
75 HD12 LEU 7 HD12 LEU 7 -8.318 6.577 -3.498
76 HD13 LEU 7 HD13 LEU 7 -7.260 6.334 -4.889
77 HD21 LEU 7 HD21 LEU 7 -9.724 8.727 -3.387
78 HD22 LEU 7 HD22 LEU 7 -10.399 8.257 -4.948
79 HD23 LEU 7 HD23 LEU 7 -9.654 9.845 -4.751
80 H ALA 8 H ALA 8 -3.466 9.227 -5.527
81 HA ALA 8 HA ALA 8 -4.463 9.542 -8.256
82 HB1 ALA 8 HB1 ALA 8 -2.915 11.676 -6.794
83 HB2 ALA 8 HB2 ALA 8 -4.620 11.749 -7.241
84 HB3 ALA 8 HB3 ALA 8 -3.380 11.717 -8.495
85 H LYS 9 H LYS 9 -1.478 9.976 -6.304
86 HA LYS 9 HA LYS 9 0.148 9.355 -8.575
87 HB2 LYS 9 HB2 LYS 9 0.909 10.974 -6.936
88 HB3 LYS 9 HB3 LYS 9 0.897 9.748 -5.679
89 HG2 LYS 9 HG2 LYS 9 2.710 8.582 -6.685
90 HG3 LYS 9 HG3 LYS 9 2.634 9.595 -8.128
91 HD2 LYS 9 HD2 LYS 9 3.307 10.559 -5.348
92 HD3 LYS 9 HD3 LYS 9 4.477 10.246 -6.632
93 HE2 LYS 9 HE2 LYS 9 3.375 11.940 -8.023
94 HE3 LYS 9 HE3 LYS 9 2.249 12.275 -6.710
95 HZ1 LYS 9 HZ1 LYS 9 5.194 12.653 -6.615
96 HZ2 LYS 9 HZ2 LYS 9 4.120 12.965 -5.338
97 HZ3 LYS 9 HZ3 LYS 9 4.032 13.882 -6.763
98 HA PRO 10 HA PRO 10 1.119 5.234 -6.274
99 HB2 PRO 10 HB2 PRO 10 -0.938 5.006 -4.185
100 HB3 PRO 10 HB3 PRO 10 0.806 4.746 -4.075
101 HG2 PRO 10 HG2 PRO 10 -0.377 6.883 -2.946
102 HG3 PRO 10 HG3 PRO 10 1.248 6.973 -3.654
103 HD2 PRO 10 HD2 PRO 10 -1.376 7.862 -4.803
104 HD3 PRO 10 HD3 PRO 10 0.203 8.680 -4.833
105 H ALA 11 H ALA 11 -2.055 6.468 -6.728
106 HA ALA 11 HA ALA 11 -3.892 5.757 -7.842
107 HB1 ALA 11 HB1 ALA 11 -3.709 3.933 -9.454
108 HB2 ALA 11 HB2 ALA 11 -2.137 3.492 -8.782
109 HB3 ALA 11 HB3 ALA 11 -2.348 5.047 -9.589
110 H LEU 12 H LEU 12 -2.650 4.318 -5.265
111 HA LEU 12 HA LEU 12 -4.998 2.656 -4.804
112 HB2 LEU 12 HB2 LEU 12 -2.142 1.768 -4.355
113 HB3 LEU 12 HB3 LEU 12 -3.547 0.922 -3.743
114 HG LEU 12 HG LEU 12 -2.939 1.333 -6.676
115 HD11 LEU 12 HD11 LEU 12 -2.366 -1.039 -6.689
116 HD12 LEU 12 HD12 LEU 12 -2.627 -1.124 -4.947
117 HD13 LEU 12 HD13 LEU 12 -1.310 -0.145 -5.595
118 HD21 LEU 12 HD21 LEU 12 -5.018 -0.344 -5.271
119 HD22 LEU 12 HD22 LEU 12 -4.714 -0.320 -7.009
120 HD23 LEU 12 HD23 LEU 12 -5.319 1.125 -6.200
121 H LEU 13 H LEU 13 -4.497 1.788 -2.281
122 HA LEU 13 HA LEU 13 -4.814 4.099 -0.706
123 HB2 LEU 13 HB2 LEU 13 -5.629 1.819 -0.122
124 HB3 LEU 13 HB3 LEU 13 -3.974 1.343 0.199
125 HG LEU 13 HG LEU 13 -3.851 2.947 2.044
126 HD11 LEU 13 HD11 LEU 13 -5.397 4.617 1.151
127 HD12 LEU 13 HD12 LEU 13 -5.838 4.139 2.791
128 HD13 LEU 13 HD13 LEU 13 -6.745 3.511 1.413
129 HD21 LEU 13 HD21 LEU 13 -5.389 1.808 3.562
130 HD22 LEU 13 HD22 LEU 13 -4.589 0.663 2.484
131 HD23 LEU 13 HD23 LEU 13 -6.262 1.136 2.184
132 H TRP 14 H TRP 14 -2.074 1.801 -0.699
133 HA TRP 14 HA TRP 14 -0.155 3.910 -0.871
134 HB2 TRP 14 HB2 TRP 14 1.020 3.233 1.304
135 HB3 TRP 14 HB3 TRP 14 -0.408 4.245 1.451
136 HD1 TRP 14 HD1 TRP 14 -0.021 0.364 1.307
137 HE1 TRP 14 HE1 TRP 14 -1.320 -0.622 3.305
138 HE3 TRP 14 HE3 TRP 14 -1.632 4.717 3.443
139 HZ2 TRP 14 HZ2 TRP 14 -2.809 0.332 5.499
140 HZ3 TRP 14 HZ3 TRP 14 -2.989 4.593 5.493
141 HH2 TRP 14 HH2 TRP 14 -3.565 2.444 6.497
142 H LYS 15 H LYS 15 -0.901 1.485 -2.242
143 HA LYS 15 HA LYS 15 1.301 -0.351 -1.646
144 HB2 LYS 15 HB2 LYS 15 -1.161 -0.736 -3.353
145 HB3 LYS 15 HB3 LYS 15 0.050 -1.968 -3.022
146 HG2 LYS 15 HG2 LYS 15 -0.527 -1.985 -0.691
147 HG3 LYS 15 HG3 LYS 15 -1.628 -0.621 -0.913
148 HD2 LYS 15 HD2 LYS 15 -3.016 -1.990 -2.395
149 HD3 LYS 15 HD3 LYS 15 -1.910 -3.346 -2.175
150 HE2 LYS 15 HE2 LYS 15 -2.437 -3.445 0.179
151 HE3 LYS 15 HE3 LYS 15 -3.458 -2.015 0.046
152 HZ1 LYS 15 HZ1 LYS 15 -4.721 -4.117 0.062
153 HZ2 LYS 15 HZ2 LYS 15 -3.957 -4.576 -1.381
154 HZ3 LYS 15 HZ3 LYS 15 -4.970 -3.218 -1.353
155 H ALA 16 H ALA 16 2.305 1.826 -2.785
156 HA ALA 16 HA ALA 16 2.782 0.987 -5.574
157 HB1 ALA 16 HB1 ALA 16 1.591 3.120 -5.497
158 HB2 ALA 16 HB2 ALA 16 3.219 3.308 -6.150
159 HB3 ALA 16 HB3 ALA 16 2.874 3.800 -4.492
160 H LEU 17 H LEU 17 4.241 2.802 -2.876
161 HA LEU 17 HA LEU 17 6.886 1.894 -3.775
162 HB2 LEU 17 HB2 LEU 17 6.111 3.996 -1.752
163 HB3 LEU 17 HB3 LEU 17 7.758 3.571 -2.174
164 HG LEU 17 HG LEU 17 5.722 4.799 -4.030
165 HD11 LEU 17 HD11 LEU 17 7.193 6.753 -3.942
166 HD12 LEU 17 HD12 LEU 17 8.202 5.932 -2.752
167 HD13 LEU 17 HD13 LEU 17 6.539 6.354 -2.352
168 HD21 LEU 17 HD21 LEU 17 8.625 4.114 -4.493
169 HD22 LEU 17 HD22 LEU 17 7.572 4.973 -5.620
170 HD23 LEU 17 HD23 LEU 17 7.241 3.288 -5.213
171 H ALA 18 H ALA 18 4.646 0.537 -2.031
172 HA ALA 18 HA ALA 18 5.650 0.264 0.585
173 HB1 ALA 18 HB1 ALA 18 4.081 -1.571 0.816
174 HB2 ALA 18 HB2 ALA 18 3.873 -1.644 -0.934
175 HB3 ALA 18 HB3 ALA 18 3.324 -0.226 -0.039
176 H LEU 19 H LEU 19 6.365 -1.423 -2.386
177 HA LEU 19 HA LEU 19 7.590 -3.714 -1.354
178 HB2 LEU 19 HB2 LEU 19 7.001 -3.393 -3.726
179 HB3 LEU 19 HB3 LEU 19 8.285 -2.209 -3.878
180 HG LEU 19 HG LEU 19 9.943 -3.966 -3.367
181 HD11 LEU 19 HD11 LEU 19 7.560 -5.813 -3.452
182 HD12 LEU 19 HD12 LEU 19 8.540 -5.441 -2.033
183 HD13 LEU 19 HD13 LEU 19 9.249 -6.315 -3.391
184 HD21 LEU 19 HD21 LEU 19 9.419 -3.433 -5.683
185 HD22 LEU 19 HD22 LEU 19 8.090 -4.592 -5.664
186 HD23 LEU 19 HD23 LEU 19 9.753 -5.155 -5.502
187 H LYS 20 H LYS 20 9.019 -0.540 -2.147
188 HA LYS 20 HA LYS 20 11.567 -1.439 -1.057
189 HB2 LYS 20 HB2 LYS 20 11.375 -0.027 -3.171
190 HB3 LYS 20 HB3 LYS 20 10.954 1.319 -2.119
191 HG2 LYS 20 HG2 LYS 20 13.088 1.063 -0.947
192 HG3 LYS 20 HG3 LYS 20 13.515 -0.266 -2.025
193 HD2 LYS 20 HD2 LYS 20 13.326 1.309 -3.941
194 HD3 LYS 20 HD3 LYS 20 13.050 2.615 -2.785
195 HE2 LYS 20 HE2 LYS 20 15.503 0.864 -2.920
196 HE3 LYS 20 HE3 LYS 20 15.387 2.523 -3.508
197 HZ1 LYS 20 HZ1 LYS 20 15.025 1.679 -0.677
198 HZ2 LYS 20 HZ2 LYS 20 14.981 3.273 -1.258
199 HZ3 LYS 20 HZ3 LYS 20 16.426 2.388 -1.318
200 H LEU 21 H LEU 21 8.768 0.244 -0.054
201 HA LEU 21 HA LEU 21 9.845 1.758 2.064
202 HB2 LEU 21 HB2 LEU 21 7.529 1.998 1.223
203 HB3 LEU 21 HB3 LEU 21 7.143 0.416 1.870
204 HG LEU 21 HG LEU 21 7.604 1.274 4.153
205 HD11 LEU 21 HD11 LEU 21 7.878 3.914 2.727
206 HD12 LEU 21 HD12 LEU 21 9.142 3.057 3.611
207 HD13 LEU 21 HD13 LEU 21 7.746 3.707 4.473
208 HD21 LEU 21 HD21 LEU 21 5.328 1.218 3.270
209 HD22 LEU 21 HD22 LEU 21 5.548 2.826 2.583
210 HD23 LEU 21 HD23 LEU 21 5.564 2.604 4.333
211 H LYS 22 H LYS 22 8.893 -1.602 1.731
212 HA LYS 22 HA LYS 22 9.747 -2.165 4.464
213 HB2 LYS 22 HB2 LYS 22 8.477 -3.897 2.342
214 HB3 LYS 22 HB3 LYS 22 9.023 -4.509 3.895
215 HG2 LYS 22 HG2 LYS 22 6.899 -2.410 3.482
216 HG3 LYS 22 HG3 LYS 22 6.626 -4.105 3.893
217 HD2 LYS 22 HD2 LYS 22 7.948 -3.753 5.967
218 HD3 LYS 22 HD3 LYS 22 8.040 -2.035 5.571
219 HE2 LYS 22 HE2 LYS 22 6.256 -2.384 7.150
220 HE3 LYS 22 HE3 LYS 22 5.563 -1.946 5.588
221 HZ1 LYS 22 HZ1 LYS 22 4.390 -3.792 6.669
222 HZ2 LYS 22 HZ2 LYS 22 5.804 -4.726 6.617
223 HZ3 LYS 22 HZ3 LYS 22 5.049 -4.251 5.174
224 H LYS 23 H LYS 23 11.703 -1.253 2.635
225 HA LYS 23 HA LYS 23 13.383 -3.639 2.398
226 HB2 LYS 23 HB2 LYS 23 12.924 -2.713 0.200
227 HB3 LYS 23 HB3 LYS 23 13.410 -1.112 0.738
228 HG2 LYS 23 HG2 LYS 23 15.134 -2.145 -0.632
229 HG3 LYS 23 HG3 LYS 23 15.698 -1.887 1.019
230 HD2 LYS 23 HD2 LYS 23 15.256 -4.237 1.539
231 HD3 LYS 23 HD3 LYS 23 14.698 -4.499 -0.118
232 HE2 LYS 23 HE2 LYS 23 16.886 -3.961 -0.978
233 HE3 LYS 23 HE3 LYS 23 17.454 -3.533 0.634
234 HZ1 LYS 23 HZ1 LYS 23 17.057 -5.847 1.308
235 HZ2 LYS 23 HZ2 LYS 23 18.220 -5.709 0.082
236 HZ3 LYS 23 HZ3 LYS 23 16.654 -6.239 -0.298
237 H ALA 24 H ALA 24 14.502 -3.647 4.236
238 HA ALA 24 HA ALA 24 16.314 -1.407 4.708
239 HB1 ALA 24 HB1 ALA 24 15.855 -1.385 7.103
240 HB2 ALA 24 HB2 ALA 24 14.607 -2.614 6.889
241 HB3 ALA 24 HB3 ALA 24 14.394 -1.006 6.193
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -7.478 3.524 12.823
2 H2 LYS 1 H2 LYS 1 -6.044 4.411 12.973
3 H3 LYS 1 H3 LYS 1 -6.014 2.870 12.269
4 HA LYS 1 HA LYS 1 -5.850 4.552 10.568
5 HB2 LYS 1 HB2 LYS 1 -8.560 3.201 10.623
6 HB3 LYS 1 HB3 LYS 1 -7.787 3.863 9.192
7 HG2 LYS 1 HG2 LYS 1 -6.622 1.631 10.840
8 HG3 LYS 1 HG3 LYS 1 -7.646 1.382 9.428
9 HD2 LYS 1 HD2 LYS 1 -5.041 2.907 9.415
10 HD3 LYS 1 HD3 LYS 1 -5.216 1.216 8.938
11 HE2 LYS 1 HE2 LYS 1 -6.840 1.935 7.198
12 HE3 LYS 1 HE3 LYS 1 -6.511 3.611 7.635
13 HZ1 LYS 1 HZ1 LYS 1 -4.678 1.650 6.377
14 HZ2 LYS 1 HZ2 LYS 1 -4.101 3.049 7.137
15 HZ3 LYS 1 HZ3 LYS 1 -5.144 3.178 5.809
16 H LYS 2 H LYS 2 -6.649 6.074 12.903
17 HA LYS 2 HA LYS 2 -9.078 7.463 12.465
18 HB2 LYS 2 HB2 LYS 2 -7.889 7.350 14.652
19 HB3 LYS 2 HB3 LYS 2 -6.639 8.395 13.992
20 HG2 LYS 2 HG2 LYS 2 -8.448 10.094 13.563
21 HG3 LYS 2 HG3 LYS 2 -9.515 9.068 14.526
22 HD2 LYS 2 HD2 LYS 2 -7.958 9.254 16.417
23 HD3 LYS 2 HD3 LYS 2 -6.926 10.312 15.450
24 HE2 LYS 2 HE2 LYS 2 -8.881 11.855 15.206
25 HE3 LYS 2 HE3 LYS 2 -9.751 10.847 16.363
26 HZ1 LYS 2 HZ1 LYS 2 -7.297 12.443 16.833
27 HZ2 LYS 2 HZ2 LYS 2 -7.851 11.273 17.925
28 HZ3 LYS 2 HZ3 LYS 2 -8.814 12.625 17.573
29 H LEU 3 H LEU 3 -5.702 8.524 12.025
30 HA LEU 3 HA LEU 3 -6.664 10.406 9.986
31 HB2 LEU 3 HB2 LEU 3 -4.285 10.413 11.790
32 HB3 LEU 3 HB3 LEU 3 -4.174 11.230 10.245
33 HG LEU 3 HG LEU 3 -6.187 12.583 10.914
34 HD11 LEU 3 HD11 LEU 3 -6.746 12.704 13.281
35 HD12 LEU 3 HD12 LEU 3 -5.628 11.384 13.619
36 HD13 LEU 3 HD13 LEU 3 -7.060 11.092 12.636
37 HD21 LEU 3 HD21 LEU 3 -4.916 14.080 12.351
38 HD22 LEU 3 HD22 LEU 3 -3.908 13.452 11.045
39 HD23 LEU 3 HD23 LEU 3 -3.751 12.795 12.674
40 H LYS 4 H LYS 4 -6.741 9.295 8.144
41 HA LYS 4 HA LYS 4 -4.685 7.388 7.418
42 HB2 LYS 4 HB2 LYS 4 -6.985 8.462 5.768
43 HB3 LYS 4 HB3 LYS 4 -6.026 7.030 5.421
44 HG2 LYS 4 HG2 LYS 4 -6.907 5.911 7.365
45 HG3 LYS 4 HG3 LYS 4 -7.781 7.368 7.846
46 HD2 LYS 4 HD2 LYS 4 -9.076 7.244 5.751
47 HD3 LYS 4 HD3 LYS 4 -8.237 5.746 5.344
48 HE2 LYS 4 HE2 LYS 4 -10.408 5.259 6.301
49 HE3 LYS 4 HE3 LYS 4 -9.129 4.712 7.384
50 HZ1 LYS 4 HZ1 LYS 4 -9.479 6.602 8.779
51 HZ2 LYS 4 HZ2 LYS 4 -10.982 5.868 8.516
52 HZ3 LYS 4 HZ3 LYS 4 -10.577 7.287 7.684
53 H LEU 5 H LEU 5 -3.483 9.763 7.855
54 HA LEU 5 HA LEU 5 -3.382 11.355 5.452
55 HB2 LEU 5 HB2 LEU 5 -3.268 12.283 7.795
56 HB3 LEU 5 HB3 LEU 5 -1.651 11.611 7.904
57 HG LEU 5 HG LEU 5 -0.929 13.036 6.037
58 HD11 LEU 5 HD11 LEU 5 -2.397 14.781 5.190
59 HD12 LEU 5 HD12 LEU 5 -3.717 14.171 6.187
60 HD13 LEU 5 HD13 LEU 5 -3.076 13.184 4.874
61 HD21 LEU 5 HD21 LEU 5 -1.078 15.193 7.216
62 HD22 LEU 5 HD22 LEU 5 -0.659 13.866 8.298
63 HD23 LEU 5 HD23 LEU 5 -2.303 14.506 8.283
64 H ALA 6 H ALA 6 -2.021 8.527 6.322
65 HA ALA 6 HA ALA 6 0.567 8.942 5.091
66 HB1 ALA 6 HB1 ALA 6 -0.751 6.372 5.969
67 HB2 ALA 6 HB2 ALA 6 0.319 7.364 6.959
68 HB3 ALA 6 HB3 ALA 6 0.939 6.575 5.509
69 H LEU 7 H LEU 7 -2.472 8.698 3.963
70 HA LEU 7 HA LEU 7 -2.192 6.860 1.807
71 HB2 LEU 7 HB2 LEU 7 -4.358 7.596 2.844
72 HB3 LEU 7 HB3 LEU 7 -4.136 9.157 2.082
73 HG LEU 7 HG LEU 7 -4.200 8.055 -0.137
74 HD11 LEU 7 HD11 LEU 7 -4.905 5.600 1.467
75 HD12 LEU 7 HD12 LEU 7 -3.444 5.839 0.509
76 HD13 LEU 7 HD13 LEU 7 -5.015 5.748 -0.287
77 HD21 LEU 7 HD21 LEU 7 -6.606 7.623 -0.134
78 HD22 LEU 7 HD22 LEU 7 -6.210 9.056 0.815
79 HD23 LEU 7 HD23 LEU 7 -6.592 7.537 1.627
80 H ALA 8 H ALA 8 -0.247 7.464 0.837
81 HA ALA 8 HA ALA 8 0.814 8.153 -1.042
82 HB1 ALA 8 HB1 ALA 8 -1.380 8.253 -2.124
83 HB2 ALA 8 HB2 ALA 8 -0.291 9.507 -2.714
84 HB3 ALA 8 HB3 ALA 8 -1.571 9.917 -1.573
85 H LYS 9 H LYS 9 -0.118 10.329 1.424
86 HA LYS 9 HA LYS 9 1.179 12.636 0.371
87 HB2 LYS 9 HB2 LYS 9 -0.580 12.777 2.111
88 HB3 LYS 9 HB3 LYS 9 0.528 12.047 3.264
89 HG2 LYS 9 HG2 LYS 9 2.046 13.937 3.029
90 HG3 LYS 9 HG3 LYS 9 0.967 14.668 1.843
91 HD2 LYS 9 HD2 LYS 9 -0.804 14.743 3.586
92 HD3 LYS 9 HD3 LYS 9 0.381 14.152 4.754
93 HE2 LYS 9 HE2 LYS 9 1.793 16.108 4.272
94 HE3 LYS 9 HE3 LYS 9 0.566 16.705 3.159
95 HZ1 LYS 9 HZ1 LYS 9 0.343 17.809 5.247
96 HZ2 LYS 9 HZ2 LYS 9 0.277 16.343 6.089
97 HZ3 LYS 9 HZ3 LYS 9 -0.993 16.782 5.049
98 HA PRO 10 HA PRO 10 5.000 11.434 2.902
99 HB2 PRO 10 HB2 PRO 10 4.623 9.050 4.457
100 HB3 PRO 10 HB3 PRO 10 4.871 10.697 5.035
101 HG2 PRO 10 HG2 PRO 10 2.531 9.283 5.346
102 HG3 PRO 10 HG3 PRO 10 2.635 11.054 5.344
103 HD2 PRO 10 HD2 PRO 10 1.845 9.194 3.132
104 HD3 PRO 10 HD3 PRO 10 1.136 10.757 3.598
105 H ALA 11 H ALA 11 3.197 9.329 1.093
106 HA ALA 11 HA ALA 11 3.643 7.743 -0.459
107 HB1 ALA 11 HB1 ALA 11 6.500 8.638 -0.122
108 HB2 ALA 11 HB2 ALA 11 5.319 9.337 -1.230
109 HB3 ALA 11 HB3 ALA 11 5.867 7.675 -1.457
110 H LEU 12 H LEU 12 3.553 6.959 2.311
111 HA LEU 12 HA LEU 12 5.463 4.723 2.350
112 HB2 LEU 12 HB2 LEU 12 5.724 6.236 4.234
113 HB3 LEU 12 HB3 LEU 12 4.020 6.098 4.617
114 HG LEU 12 HG LEU 12 4.403 3.659 5.080
115 HD11 LEU 12 HD11 LEU 12 7.304 4.462 4.908
116 HD12 LEU 12 HD12 LEU 12 6.460 3.395 3.785
117 HD13 LEU 12 HD13 LEU 12 6.684 2.908 5.467
118 HD21 LEU 12 HD21 LEU 12 4.242 5.318 6.869
119 HD22 LEU 12 HD22 LEU 12 5.976 5.619 6.748
120 HD23 LEU 12 HD23 LEU 12 5.390 4.041 7.276
121 H LEU 13 H LEU 13 4.575 2.912 1.669
122 HA LEU 13 HA LEU 13 3.225 1.096 1.524
123 HB2 LEU 13 HB2 LEU 13 2.116 2.158 4.118
124 HB3 LEU 13 HB3 LEU 13 1.834 0.549 3.483
125 HG LEU 13 HG LEU 13 4.538 1.640 4.265
126 HD11 LEU 13 HD11 LEU 13 4.374 0.161 6.195
127 HD12 LEU 13 HD12 LEU 13 2.747 -0.309 5.709
128 HD13 LEU 13 HD13 LEU 13 3.072 1.351 6.203
129 HD21 LEU 13 HD21 LEU 13 4.657 -0.060 2.515
130 HD22 LEU 13 HD22 LEU 13 3.662 -1.142 3.489
131 HD23 LEU 13 HD23 LEU 13 5.270 -0.685 4.045
132 H TRP 14 H TRP 14 2.354 3.310 0.055
133 HA TRP 14 HA TRP 14 -0.450 3.736 0.439
134 HB2 TRP 14 HB2 TRP 14 0.950 5.442 -0.628
135 HB3 TRP 14 HB3 TRP 14 1.340 4.331 -1.933
136 HD1 TRP 14 HD1 TRP 14 -1.935 5.803 -0.431
137 HE1 TRP 14 HE1 TRP 14 -3.498 6.396 -2.390
138 HE3 TRP 14 HE3 TRP 14 1.016 4.266 -4.304
139 HZ2 TRP 14 HZ2 TRP 14 -3.468 6.246 -5.211
140 HZ3 TRP 14 HZ3 TRP 14 0.179 4.534 -6.600
141 HH2 TRP 14 HH2 TRP 14 -2.018 5.503 -7.043
142 H LYS 15 H LYS 15 1.108 2.509 -2.505
143 HA LYS 15 HA LYS 15 -0.385 0.024 -2.253
144 HB2 LYS 15 HB2 LYS 15 -0.516 1.879 -4.624
145 HB3 LYS 15 HB3 LYS 15 -0.850 0.160 -4.782
146 HG2 LYS 15 HG2 LYS 15 -2.646 0.395 -3.099
147 HG3 LYS 15 HG3 LYS 15 -2.344 2.133 -3.065
148 HD2 LYS 15 HD2 LYS 15 -3.000 2.369 -5.345
149 HD3 LYS 15 HD3 LYS 15 -3.044 0.620 -5.573
150 HE2 LYS 15 HE2 LYS 15 -5.294 1.455 -5.357
151 HE3 LYS 15 HE3 LYS 15 -4.889 0.483 -3.947
152 HZ1 LYS 15 HZ1 LYS 15 -4.409 2.582 -2.757
153 HZ2 LYS 15 HZ2 LYS 15 -6.028 2.433 -3.235
154 HZ3 LYS 15 HZ3 LYS 15 -4.984 3.447 -4.103
155 H ALA 16 H ALA 16 1.437 1.349 -4.987
156 HA ALA 16 HA ALA 16 3.197 -0.913 -5.030
157 HB1 ALA 16 HB1 ALA 16 2.523 0.187 -7.096
158 HB2 ALA 16 HB2 ALA 16 4.276 0.232 -6.905
159 HB3 ALA 16 HB3 ALA 16 3.316 1.673 -6.575
160 H LEU 17 H LEU 17 3.059 1.655 -3.063
161 HA LEU 17 HA LEU 17 5.918 2.193 -2.911
162 HB2 LEU 17 HB2 LEU 17 3.591 3.467 -1.468
163 HB3 LEU 17 HB3 LEU 17 5.264 3.978 -1.341
164 HG LEU 17 HG LEU 17 3.631 4.044 -3.883
165 HD11 LEU 17 HD11 LEU 17 2.793 5.644 -2.251
166 HD12 LEU 17 HD12 LEU 17 3.617 6.468 -3.576
167 HD13 LEU 17 HD13 LEU 17 4.424 6.276 -2.019
168 HD21 LEU 17 HD21 LEU 17 5.488 5.391 -4.747
169 HD22 LEU 17 HD22 LEU 17 6.011 3.767 -4.299
170 HD23 LEU 17 HD23 LEU 17 6.371 5.133 -3.242
171 H ALA 18 H ALA 18 4.637 -0.336 -2.128
172 HA ALA 18 HA ALA 18 5.116 -0.436 0.734
173 HB1 ALA 18 HB1 ALA 18 4.419 -2.767 0.581
174 HB2 ALA 18 HB2 ALA 18 4.375 -2.651 -1.177
175 HB3 ALA 18 HB3 ALA 18 3.241 -1.715 -0.205
176 H LEU 19 H LEU 19 6.584 -1.298 -2.297
177 HA LEU 19 HA LEU 19 8.960 -2.295 -0.890
178 HB2 LEU 19 HB2 LEU 19 7.993 -2.677 -3.718
179 HB3 LEU 19 HB3 LEU 19 9.643 -3.031 -3.251
180 HG LEU 19 HG LEU 19 8.665 -4.642 -1.536
181 HD11 LEU 19 HD11 LEU 19 6.207 -4.233 -3.231
182 HD12 LEU 19 HD12 LEU 19 6.381 -3.803 -1.529
183 HD13 LEU 19 HD13 LEU 19 6.427 -5.496 -2.021
184 HD21 LEU 19 HD21 LEU 19 8.338 -6.395 -3.229
185 HD22 LEU 19 HD22 LEU 19 9.750 -5.394 -3.563
186 HD23 LEU 19 HD23 LEU 19 8.263 -5.152 -4.478
187 H LYS 20 H LYS 20 8.044 -0.319 -3.729
188 HA LYS 20 HA LYS 20 8.948 1.550 -4.643
189 HB2 LYS 20 HB2 LYS 20 8.319 2.424 -2.393
190 HB3 LYS 20 HB3 LYS 20 9.943 2.065 -1.830
191 HG2 LYS 20 HG2 LYS 20 10.851 3.648 -3.458
192 HG3 LYS 20 HG3 LYS 20 9.214 4.014 -4.004
193 HD2 LYS 20 HD2 LYS 20 8.633 4.901 -1.848
194 HD3 LYS 20 HD3 LYS 20 10.180 4.383 -1.175
195 HE2 LYS 20 HE2 LYS 20 9.821 6.417 -3.370
196 HE3 LYS 20 HE3 LYS 20 10.133 6.789 -1.675
197 HZ1 LYS 20 HZ1 LYS 20 12.248 5.650 -1.832
198 HZ2 LYS 20 HZ2 LYS 20 12.152 6.864 -3.013
199 HZ3 LYS 20 HZ3 LYS 20 11.946 5.240 -3.450
200 H LEU 21 H LEU 21 10.366 -0.603 -5.213
201 HA LEU 21 HA LEU 21 12.345 -1.325 -6.046
202 HB2 LEU 21 HB2 LEU 21 13.222 1.513 -5.528
203 HB3 LEU 21 HB3 LEU 21 14.151 0.333 -6.433
204 HG LEU 21 HG LEU 21 11.435 1.403 -7.212
205 HD11 LEU 21 HD11 LEU 21 13.224 3.052 -7.468
206 HD12 LEU 21 HD12 LEU 21 12.628 2.499 -9.032
207 HD13 LEU 21 HD13 LEU 21 14.161 1.891 -8.408
208 HD21 LEU 21 HD21 LEU 21 11.784 0.178 -9.296
209 HD22 LEU 21 HD22 LEU 21 11.759 -0.917 -7.913
210 HD23 LEU 21 HD23 LEU 21 13.293 -0.480 -8.665
211 H LYS 22 H LYS 22 11.885 -0.728 -2.935
212 HA LYS 22 HA LYS 22 14.592 -1.555 -2.134
213 HB2 LYS 22 HB2 LYS 22 13.810 0.579 -1.149
214 HB3 LYS 22 HB3 LYS 22 12.412 -0.251 -0.485
215 HG2 LYS 22 HG2 LYS 22 13.865 -1.605 0.921
216 HG3 LYS 22 HG3 LYS 22 15.282 -0.794 0.246
217 HD2 LYS 22 HD2 LYS 22 14.477 1.341 1.114
218 HD3 LYS 22 HD3 LYS 22 13.045 0.545 1.765
219 HE2 LYS 22 HE2 LYS 22 15.892 -0.034 2.563
220 HE3 LYS 22 HE3 LYS 22 14.755 0.948 3.482
221 HZ1 LYS 22 HZ1 LYS 22 14.642 -1.971 2.964
222 HZ2 LYS 22 HZ2 LYS 22 13.307 -1.098 3.544
223 HZ3 LYS 22 HZ3 LYS 22 14.729 -1.169 4.458
224 H LYS 23 H LYS 23 14.230 -3.726 -2.614
225 HA LYS 23 HA LYS 23 11.962 -5.168 -1.716
226 HB2 LYS 23 HB2 LYS 23 14.680 -6.181 -2.571
227 HB3 LYS 23 HB3 LYS 23 13.231 -7.163 -2.408
228 HG2 LYS 23 HG2 LYS 23 12.154 -5.909 -4.186
229 HG3 LYS 23 HG3 LYS 23 13.569 -4.868 -4.330
230 HD2 LYS 23 HD2 LYS 23 13.620 -6.529 -6.075
231 HD3 LYS 23 HD3 LYS 23 14.921 -6.850 -4.930
232 HE2 LYS 23 HE2 LYS 23 13.623 -8.610 -3.894
233 HE3 LYS 23 HE3 LYS 23 12.243 -8.241 -4.928
234 HZ1 LYS 23 HZ1 LYS 23 14.889 -9.246 -5.841
235 HZ2 LYS 23 HZ2 LYS 23 13.579 -8.868 -6.853
236 HZ3 LYS 23 HZ3 LYS 23 13.455 -10.152 -5.751
237 H ALA 24 H ALA 24 15.180 -4.602 -0.455
238 HA ALA 24 HA ALA 24 14.519 -6.132 1.959
239 HB1 ALA 24 HB1 ALA 24 16.882 -5.963 2.517
240 HB2 ALA 24 HB2 ALA 24 17.162 -4.940 1.108
241 HB3 ALA 24 HB3 ALA 24 16.682 -6.625 0.892
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -2.875 15.938 14.784
2 H2 LYS 1 H2 LYS 1 -2.277 14.556 14.003
3 H3 LYS 1 H3 LYS 1 -2.418 14.581 15.690
4 HA LYS 1 HA LYS 1 -4.190 13.283 14.772
5 HB2 LYS 1 HB2 LYS 1 -5.175 15.983 15.714
6 HB3 LYS 1 HB3 LYS 1 -6.119 14.502 15.691
7 HG2 LYS 1 HG2 LYS 1 -4.602 13.511 17.332
8 HG3 LYS 1 HG3 LYS 1 -3.659 15.005 17.356
9 HD2 LYS 1 HD2 LYS 1 -5.652 16.231 18.111
10 HD3 LYS 1 HD3 LYS 1 -6.565 14.723 18.121
11 HE2 LYS 1 HE2 LYS 1 -5.851 15.282 20.364
12 HE3 LYS 1 HE3 LYS 1 -5.026 13.825 19.813
13 HZ1 LYS 1 HZ1 LYS 1 -3.037 14.989 19.504
14 HZ2 LYS 1 HZ2 LYS 1 -3.637 15.558 20.986
15 HZ3 LYS 1 HZ3 LYS 1 -3.796 16.504 19.591
16 H LYS 2 H LYS 2 -3.816 16.437 13.293
17 HA LYS 2 HA LYS 2 -6.085 16.013 11.518
18 HB2 LYS 2 HB2 LYS 2 -5.580 18.236 12.579
19 HB3 LYS 2 HB3 LYS 2 -4.129 18.316 11.590
20 HG2 LYS 2 HG2 LYS 2 -5.568 18.184 9.568
21 HG3 LYS 2 HG3 LYS 2 -6.979 18.272 10.626
22 HD2 LYS 2 HD2 LYS 2 -6.082 20.428 11.518
23 HD3 LYS 2 HD3 LYS 2 -4.823 20.353 10.284
24 HE2 LYS 2 HE2 LYS 2 -7.800 20.470 9.808
25 HE3 LYS 2 HE3 LYS 2 -6.647 21.778 9.547
26 HZ1 LYS 2 HZ1 LYS 2 -5.577 20.440 7.833
27 HZ2 LYS 2 HZ2 LYS 2 -7.223 20.665 7.482
28 HZ3 LYS 2 HZ3 LYS 2 -6.687 19.182 8.101
29 H LEU 3 H LEU 3 -5.292 14.231 10.311
30 HA LEU 3 HA LEU 3 -3.538 15.127 8.156
31 HB2 LEU 3 HB2 LEU 3 -2.405 12.969 8.021
32 HB3 LEU 3 HB3 LEU 3 -2.101 13.755 9.554
33 HG LEU 3 HG LEU 3 -4.211 11.625 9.304
34 HD11 LEU 3 HD11 LEU 3 -1.269 11.226 9.815
35 HD12 LEU 3 HD12 LEU 3 -2.180 10.649 8.419
36 HD13 LEU 3 HD13 LEU 3 -2.515 9.999 10.025
37 HD21 LEU 3 HD21 LEU 3 -3.734 11.301 11.676
38 HD22 LEU 3 HD22 LEU 3 -4.188 12.973 11.348
39 HD23 LEU 3 HD23 LEU 3 -2.495 12.556 11.604
40 H LYS 4 H LYS 4 -5.131 15.385 6.712
41 HA LYS 4 HA LYS 4 -6.468 12.914 5.845
42 HB2 LYS 4 HB2 LYS 4 -8.035 14.413 7.134
43 HB3 LYS 4 HB3 LYS 4 -7.818 15.620 5.875
44 HG2 LYS 4 HG2 LYS 4 -8.820 14.189 4.236
45 HG3 LYS 4 HG3 LYS 4 -8.865 12.843 5.376
46 HD2 LYS 4 HD2 LYS 4 -10.355 15.443 5.711
47 HD3 LYS 4 HD3 LYS 4 -11.059 13.947 5.094
48 HE2 LYS 4 HE2 LYS 4 -10.478 12.834 7.213
49 HE3 LYS 4 HE3 LYS 4 -9.858 14.366 7.831
50 HZ1 LYS 4 HZ1 LYS 4 -12.661 13.778 7.044
51 HZ2 LYS 4 HZ2 LYS 4 -12.099 15.303 7.514
52 HZ3 LYS 4 HZ3 LYS 4 -12.081 14.016 8.619
53 H LEU 5 H LEU 5 -4.216 13.492 4.737
54 HA LEU 5 HA LEU 5 -4.945 14.195 2.027
55 HB2 LEU 5 HB2 LEU 5 -4.211 16.348 3.016
56 HB3 LEU 5 HB3 LEU 5 -2.677 15.613 3.440
57 HG LEU 5 HG LEU 5 -2.183 15.276 1.047
58 HD11 LEU 5 HD11 LEU 5 -4.483 15.104 0.237
59 HD12 LEU 5 HD12 LEU 5 -3.577 16.332 -0.647
60 HD13 LEU 5 HD13 LEU 5 -4.736 16.816 0.589
61 HD21 LEU 5 HD21 LEU 5 -1.386 17.282 2.176
62 HD22 LEU 5 HD22 LEU 5 -2.894 18.112 1.793
63 HD23 LEU 5 HD23 LEU 5 -1.802 17.631 0.496
64 H ALA 6 H ALA 6 -4.578 12.015 1.621
65 HA ALA 6 HA ALA 6 -1.941 10.915 2.241
66 HB1 ALA 6 HB1 ALA 6 -2.904 8.769 1.538
67 HB2 ALA 6 HB2 ALA 6 -4.406 9.590 1.118
68 HB3 ALA 6 HB3 ALA 6 -3.865 9.541 2.796
69 H LEU 7 H LEU 7 -3.648 12.315 -0.355
70 HA LEU 7 HA LEU 7 -2.145 10.986 -2.441
71 HB2 LEU 7 HB2 LEU 7 -3.995 13.368 -2.582
72 HB3 LEU 7 HB3 LEU 7 -3.347 12.496 -3.957
73 HG LEU 7 HG LEU 7 -5.238 11.361 -1.896
74 HD11 LEU 7 HD11 LEU 7 -6.312 13.006 -3.325
75 HD12 LEU 7 HD12 LEU 7 -6.868 11.380 -3.723
76 HD13 LEU 7 HD13 LEU 7 -5.692 12.187 -4.760
77 HD21 LEU 7 HD21 LEU 7 -5.368 9.428 -3.358
78 HD22 LEU 7 HD22 LEU 7 -3.707 9.683 -2.826
79 HD23 LEU 7 HD23 LEU 7 -4.192 10.154 -4.456
80 H ALA 8 H ALA 8 -0.300 12.004 -0.810
81 HA ALA 8 HA ALA 8 1.148 13.853 -2.401
82 HB1 ALA 8 HB1 ALA 8 -0.429 15.457 -1.449
83 HB2 ALA 8 HB2 ALA 8 1.208 15.755 -0.868
84 HB3 ALA 8 HB3 ALA 8 0.035 14.958 0.178
85 H LYS 9 H LYS 9 0.722 12.724 0.942
86 HA LYS 9 HA LYS 9 3.350 13.199 1.768
87 HB2 LYS 9 HB2 LYS 9 1.308 11.277 2.882
88 HB3 LYS 9 HB3 LYS 9 2.808 11.720 3.690
89 HG2 LYS 9 HG2 LYS 9 2.098 14.051 3.750
90 HG3 LYS 9 HG3 LYS 9 0.606 13.622 2.916
91 HD2 LYS 9 HD2 LYS 9 -0.036 12.199 4.798
92 HD3 LYS 9 HD3 LYS 9 1.462 12.623 5.632
93 HE2 LYS 9 HE2 LYS 9 -0.693 14.566 4.805
94 HE3 LYS 9 HE3 LYS 9 -0.464 13.934 6.435
95 HZ1 LYS 9 HZ1 LYS 9 1.614 15.465 4.958
96 HZ2 LYS 9 HZ2 LYS 9 1.623 15.021 6.598
97 HZ3 LYS 9 HZ3 LYS 9 0.517 16.174 6.040
98 HA PRO 10 HA PRO 10 4.565 8.694 0.776
99 HB2 PRO 10 HB2 PRO 10 2.908 7.079 -0.600
100 HB3 PRO 10 HB3 PRO 10 2.826 7.229 1.160
101 HG2 PRO 10 HG2 PRO 10 1.115 8.509 -0.933
102 HG3 PRO 10 HG3 PRO 10 0.639 7.781 0.613
103 HD2 PRO 10 HD2 PRO 10 0.922 10.478 0.232
104 HD3 PRO 10 HD3 PRO 10 1.147 9.676 1.799
105 H ALA 11 H ALA 11 3.548 11.081 -1.120
106 HA ALA 11 HA ALA 11 4.044 11.882 -3.174
107 HB1 ALA 11 HB1 ALA 11 6.092 11.120 -4.253
108 HB2 ALA 11 HB2 ALA 11 6.147 9.717 -3.185
109 HB3 ALA 11 HB3 ALA 11 6.336 11.340 -2.521
110 H LEU 12 H LEU 12 1.925 10.122 -3.013
111 HA LEU 12 HA LEU 12 0.419 9.079 -4.336
112 HB2 LEU 12 HB2 LEU 12 2.431 9.577 -6.530
113 HB3 LEU 12 HB3 LEU 12 0.830 8.914 -6.789
114 HG LEU 12 HG LEU 12 1.443 11.659 -5.693
115 HD11 LEU 12 HD11 LEU 12 0.489 12.444 -7.809
116 HD12 LEU 12 HD12 LEU 12 0.365 10.775 -8.362
117 HD13 LEU 12 HD13 LEU 12 1.949 11.484 -8.052
118 HD21 LEU 12 HD21 LEU 12 -1.190 10.345 -6.345
119 HD22 LEU 12 HD22 LEU 12 -0.969 12.038 -5.912
120 HD23 LEU 12 HD23 LEU 12 -0.603 10.775 -4.739
121 H LEU 13 H LEU 13 0.103 7.066 -5.686
122 HA LEU 13 HA LEU 13 0.142 4.810 -5.574
123 HB2 LEU 13 HB2 LEU 13 3.111 5.312 -5.689
124 HB3 LEU 13 HB3 LEU 13 2.425 3.700 -5.685
125 HG LEU 13 HG LEU 13 1.101 4.468 -7.758
126 HD11 LEU 13 HD11 LEU 13 1.552 6.851 -7.551
127 HD12 LEU 13 HD12 LEU 13 2.168 6.219 -9.077
128 HD13 LEU 13 HD13 LEU 13 3.279 6.551 -7.747
129 HD21 LEU 13 HD21 LEU 13 2.954 3.875 -9.229
130 HD22 LEU 13 HD22 LEU 13 2.909 2.832 -7.809
131 HD23 LEU 13 HD23 LEU 13 4.094 4.133 -7.909
132 H TRP 14 H TRP 14 -0.809 5.089 -3.496
133 HA TRP 14 HA TRP 14 0.940 4.918 -1.175
134 HB2 TRP 14 HB2 TRP 14 -1.362 5.243 0.010
135 HB3 TRP 14 HB3 TRP 14 -0.626 6.608 -0.819
136 HD1 TRP 14 HD1 TRP 14 -1.863 7.578 -2.935
137 HE1 TRP 14 HE1 TRP 14 -4.197 7.190 -3.952
138 HE3 TRP 14 HE3 TRP 14 -3.190 3.375 -0.332
139 HZ2 TRP 14 HZ2 TRP 14 -6.322 5.344 -3.674
140 HZ3 TRP 14 HZ3 TRP 14 -5.389 2.366 -0.769
141 HH2 TRP 14 HH2 TRP 14 -6.920 3.330 -2.403
142 H LYS 15 H LYS 15 -0.506 2.835 -3.217
143 HA LYS 15 HA LYS 15 -0.954 0.851 -1.112
144 HB2 LYS 15 HB2 LYS 15 -2.766 1.105 -2.779
145 HB3 LYS 15 HB3 LYS 15 -1.632 0.669 -4.053
146 HG2 LYS 15 HG2 LYS 15 -1.265 -1.493 -2.788
147 HG3 LYS 15 HG3 LYS 15 -2.672 -1.048 -1.825
148 HD2 LYS 15 HD2 LYS 15 -4.082 -1.052 -3.762
149 HD3 LYS 15 HD3 LYS 15 -2.693 -1.264 -4.832
150 HE2 LYS 15 HE2 LYS 15 -3.800 -3.226 -2.836
151 HE3 LYS 15 HE3 LYS 15 -3.762 -3.385 -4.591
152 HZ1 LYS 15 HZ1 LYS 15 -1.999 -4.687 -3.824
153 HZ2 LYS 15 HZ2 LYS 15 -1.505 -3.535 -2.684
154 HZ3 LYS 15 HZ3 LYS 15 -1.251 -3.256 -4.336
155 H ALA 16 H ALA 16 0.827 1.494 -4.071
156 HA ALA 16 HA ALA 16 2.401 -0.917 -3.867
157 HB1 ALA 16 HB1 ALA 16 3.570 -0.058 -5.832
158 HB2 ALA 16 HB2 ALA 16 2.717 1.477 -5.673
159 HB3 ALA 16 HB3 ALA 16 1.820 0.008 -6.052
160 H LEU 17 H LEU 17 2.942 -0.166 -1.569
161 HA LEU 17 HA LEU 17 5.272 1.626 -1.548
162 HB2 LEU 17 HB2 LEU 17 3.628 0.538 0.746
163 HB3 LEU 17 HB3 LEU 17 4.973 1.650 0.901
164 HG LEU 17 HG LEU 17 2.389 2.278 -0.534
165 HD11 LEU 17 HD11 LEU 17 1.999 1.996 1.843
166 HD12 LEU 17 HD12 LEU 17 1.917 3.704 1.409
167 HD13 LEU 17 HD13 LEU 17 3.352 3.064 2.213
168 HD21 LEU 17 HD21 LEU 17 3.215 4.577 -0.488
169 HD22 LEU 17 HD22 LEU 17 4.313 3.522 -1.375
170 HD23 LEU 17 HD23 LEU 17 4.712 4.028 0.266
171 H ALA 18 H ALA 18 5.106 -1.274 -2.416
172 HA ALA 18 HA ALA 18 6.122 -3.056 -0.577
173 HB1 ALA 18 HB1 ALA 18 6.946 -4.345 -2.475
174 HB2 ALA 18 HB2 ALA 18 6.745 -2.941 -3.521
175 HB3 ALA 18 HB3 ALA 18 5.335 -3.703 -2.787
176 H LEU 19 H LEU 19 8.015 -1.078 -2.858
177 HA LEU 19 HA LEU 19 10.311 -1.381 -1.033
178 HB2 LEU 19 HB2 LEU 19 10.290 -1.043 -4.032
179 HB3 LEU 19 HB3 LEU 19 11.737 -0.934 -3.047
180 HG LEU 19 HG LEU 19 9.993 -3.381 -3.349
181 HD11 LEU 19 HD11 LEU 19 12.756 -2.777 -4.388
182 HD12 LEU 19 HD12 LEU 19 11.284 -2.885 -5.352
183 HD13 LEU 19 HD13 LEU 19 11.909 -4.317 -4.535
184 HD21 LEU 19 HD21 LEU 19 11.705 -4.534 -2.068
185 HD22 LEU 19 HD22 LEU 19 11.021 -3.211 -1.122
186 HD23 LEU 19 HD23 LEU 19 12.604 -3.030 -1.879
187 H LYS 20 H LYS 20 7.973 0.634 -1.652
188 HA LYS 20 HA LYS 20 9.577 3.066 -1.805
189 HB2 LYS 20 HB2 LYS 20 7.438 2.906 -3.077
190 HB3 LYS 20 HB3 LYS 20 6.574 2.767 -1.550
191 HG2 LYS 20 HG2 LYS 20 7.250 4.982 -0.904
192 HG3 LYS 20 HG3 LYS 20 8.279 5.125 -2.329
193 HD2 LYS 20 HD2 LYS 20 5.271 4.855 -2.327
194 HD3 LYS 20 HD3 LYS 20 6.182 6.336 -2.635
195 HE2 LYS 20 HE2 LYS 20 7.269 5.144 -4.558
196 HE3 LYS 20 HE3 LYS 20 6.119 3.832 -4.306
197 HZ1 LYS 20 HZ1 LYS 20 5.482 6.644 -5.011
198 HZ2 LYS 20 HZ2 LYS 20 4.320 5.468 -4.638
199 HZ3 LYS 20 HZ3 LYS 20 5.310 5.281 -6.006
200 H LEU 21 H LEU 21 7.692 1.165 0.442
201 HA LEU 21 HA LEU 21 8.155 3.049 2.604
202 HB2 LEU 21 HB2 LEU 21 6.042 1.785 2.502
203 HB3 LEU 21 HB3 LEU 21 6.935 0.283 2.635
204 HG LEU 21 HG LEU 21 7.698 0.958 4.890
205 HD11 LEU 21 HD11 LEU 21 6.638 2.859 5.997
206 HD12 LEU 21 HD12 LEU 21 5.837 3.295 4.486
207 HD13 LEU 21 HD13 LEU 21 7.596 3.375 4.609
208 HD21 LEU 21 HD21 LEU 21 5.710 -0.434 4.613
209 HD22 LEU 21 HD22 LEU 21 4.709 1.013 4.510
210 HD23 LEU 21 HD23 LEU 21 5.560 0.635 6.009
211 H LYS 22 H LYS 22 9.383 0.021 1.360
212 HA LYS 22 HA LYS 22 11.260 -0.255 3.550
213 HB2 LYS 22 HB2 LYS 22 10.279 -2.275 2.548
214 HB3 LYS 22 HB3 LYS 22 10.996 -1.855 0.996
215 HG2 LYS 22 HG2 LYS 22 13.197 -2.187 1.827
216 HG3 LYS 22 HG3 LYS 22 12.612 -2.331 3.486
217 HD2 LYS 22 HD2 LYS 22 11.406 -4.382 2.862
218 HD3 LYS 22 HD3 LYS 22 12.053 -4.247 1.223
219 HE2 LYS 22 HE2 LYS 22 14.283 -4.561 1.996
220 HE3 LYS 22 HE3 LYS 22 13.788 -4.403 3.680
221 HZ1 LYS 22 HZ1 LYS 22 12.575 -6.460 3.512
222 HZ2 LYS 22 HZ2 LYS 22 14.182 -6.713 3.031
223 HZ3 LYS 22 HZ3 LYS 22 12.956 -6.604 1.866
224 H LYS 23 H LYS 23 12.813 1.211 3.561
225 HA LYS 23 HA LYS 23 14.723 1.422 1.477
226 HB2 LYS 23 HB2 LYS 23 14.364 3.814 0.945
227 HB3 LYS 23 HB3 LYS 23 13.016 2.815 0.420
228 HG2 LYS 23 HG2 LYS 23 11.709 3.509 2.338
229 HG3 LYS 23 HG3 LYS 23 13.072 4.449 2.948
230 HD2 LYS 23 HD2 LYS 23 12.970 5.898 1.006
231 HD3 LYS 23 HD3 LYS 23 11.666 4.924 0.325
232 HE2 LYS 23 HE2 LYS 23 10.225 5.516 2.197
233 HE3 LYS 23 HE3 LYS 23 11.531 6.442 2.933
234 HZ1 LYS 23 HZ1 LYS 23 11.493 7.961 1.087
235 HZ2 LYS 23 HZ2 LYS 23 9.924 7.833 1.727
236 HZ3 LYS 23 HZ3 LYS 23 10.320 7.033 0.287
237 H ALA 24 H ALA 24 16.488 2.827 2.105
238 HA ALA 24 HA ALA 24 16.450 3.475 4.975
239 HB1 ALA 24 HB1 ALA 24 18.776 2.425 3.359
240 HB2 ALA 24 HB2 ALA 24 17.831 1.503 4.529
241 HB3 ALA 24 HB3 ALA 24 18.818 2.863 5.068
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -3.064 17.287 0.815
2 H2 LYS 1 H2 LYS 1 -2.200 17.773 2.192
3 H3 LYS 1 H3 LYS 1 -1.380 17.470 0.737
4 HA LYS 1 HA LYS 1 -3.406 19.590 1.098
5 HB2 LYS 1 HB2 LYS 1 -0.390 19.729 1.174
6 HB3 LYS 1 HB3 LYS 1 -1.419 21.138 0.955
7 HG2 LYS 1 HG2 LYS 1 -2.443 20.744 3.126
8 HG3 LYS 1 HG3 LYS 1 -1.442 19.306 3.348
9 HD2 LYS 1 HD2 LYS 1 0.568 20.670 3.283
10 HD3 LYS 1 HD3 LYS 1 -0.396 22.114 2.972
11 HE2 LYS 1 HE2 LYS 1 -1.460 21.899 5.143
12 HE3 LYS 1 HE3 LYS 1 -0.579 20.403 5.451
13 HZ1 LYS 1 HZ1 LYS 1 0.405 22.366 6.545
14 HZ2 LYS 1 HZ2 LYS 1 0.705 23.051 5.022
15 HZ3 LYS 1 HZ3 LYS 1 1.480 21.608 5.470
16 H LYS 2 H LYS 2 -0.402 19.570 -0.747
17 HA LYS 2 HA LYS 2 -1.894 20.304 -3.118
18 HB2 LYS 2 HB2 LYS 2 0.198 21.488 -2.475
19 HB3 LYS 2 HB3 LYS 2 1.093 19.998 -2.736
20 HG2 LYS 2 HG2 LYS 2 0.422 20.021 -5.091
21 HG3 LYS 2 HG3 LYS 2 -0.437 21.538 -4.821
22 HD2 LYS 2 HD2 LYS 2 1.712 22.554 -4.090
23 HD3 LYS 2 HD3 LYS 2 2.524 21.051 -4.531
24 HE2 LYS 2 HE2 LYS 2 2.733 22.688 -6.315
25 HE3 LYS 2 HE3 LYS 2 1.759 21.314 -6.838
26 HZ1 LYS 2 HZ1 LYS 2 0.646 23.901 -5.888
27 HZ2 LYS 2 HZ2 LYS 2 -0.234 22.598 -6.530
28 HZ3 LYS 2 HZ3 LYS 2 0.832 23.471 -7.516
29 H LEU 3 H LEU 3 0.884 18.121 -2.783
30 HA LEU 3 HA LEU 3 0.000 16.512 -4.967
31 HB2 LEU 3 HB2 LEU 3 2.209 16.066 -2.959
32 HB3 LEU 3 HB3 LEU 3 1.923 15.049 -4.359
33 HG LEU 3 HG LEU 3 2.738 17.952 -4.385
34 HD11 LEU 3 HD11 LEU 3 4.188 15.446 -5.212
35 HD12 LEU 3 HD12 LEU 3 4.543 16.446 -3.802
36 HD13 LEU 3 HD13 LEU 3 4.778 17.094 -5.426
37 HD21 LEU 3 HD21 LEU 3 1.215 17.486 -6.225
38 HD22 LEU 3 HD22 LEU 3 2.181 16.086 -6.688
39 HD23 LEU 3 HD23 LEU 3 2.862 17.708 -6.817
40 H LYS 4 H LYS 4 -1.660 15.217 -4.799
41 HA LYS 4 HA LYS 4 -1.854 13.455 -2.455
42 HB2 LYS 4 HB2 LYS 4 -4.324 13.653 -2.589
43 HB3 LYS 4 HB3 LYS 4 -3.545 15.180 -2.193
44 HG2 LYS 4 HG2 LYS 4 -3.752 15.849 -4.572
45 HG3 LYS 4 HG3 LYS 4 -4.648 14.358 -4.873
46 HD2 LYS 4 HD2 LYS 4 -6.275 16.044 -4.562
47 HD3 LYS 4 HD3 LYS 4 -6.250 15.114 -3.064
48 HE2 LYS 4 HE2 LYS 4 -6.353 17.474 -2.560
49 HE3 LYS 4 HE3 LYS 4 -4.790 16.829 -2.058
50 HZ1 LYS 4 HZ1 LYS 4 -4.730 19.019 -3.251
51 HZ2 LYS 4 HZ2 LYS 4 -5.213 18.199 -4.655
52 HZ3 LYS 4 HZ3 LYS 4 -3.740 17.815 -3.914
53 H LEU 5 H LEU 5 -0.596 12.970 -4.932
54 HA LEU 5 HA LEU 5 -2.404 11.615 -6.705
55 HB2 LEU 5 HB2 LEU 5 0.612 11.702 -6.715
56 HB3 LEU 5 HB3 LEU 5 -0.401 11.127 -8.025
57 HG LEU 5 HG LEU 5 -0.333 13.964 -7.002
58 HD11 LEU 5 HD11 LEU 5 0.826 12.760 -9.508
59 HD12 LEU 5 HD12 LEU 5 1.737 13.349 -8.119
60 HD13 LEU 5 HD13 LEU 5 0.800 14.476 -9.101
61 HD21 LEU 5 HD21 LEU 5 -1.724 12.757 -9.389
62 HD22 LEU 5 HD22 LEU 5 -1.668 14.471 -8.981
63 HD23 LEU 5 HD23 LEU 5 -2.504 13.340 -7.917
64 H ALA 6 H ALA 6 -0.828 10.806 -3.895
65 HA ALA 6 HA ALA 6 -0.135 8.102 -4.371
66 HB1 ALA 6 HB1 ALA 6 -0.860 9.436 -1.768
67 HB2 ALA 6 HB2 ALA 6 0.748 9.389 -2.485
68 HB3 ALA 6 HB3 ALA 6 -0.023 7.897 -1.948
69 H LEU 7 H LEU 7 -3.137 9.632 -4.078
70 HA LEU 7 HA LEU 7 -4.466 7.113 -3.366
71 HB2 LEU 7 HB2 LEU 7 -5.583 9.920 -3.430
72 HB3 LEU 7 HB3 LEU 7 -6.441 8.488 -2.896
73 HG LEU 7 HG LEU 7 -4.031 9.711 -1.548
74 HD11 LEU 7 HD11 LEU 7 -6.048 11.031 -1.244
75 HD12 LEU 7 HD12 LEU 7 -5.607 10.216 0.257
76 HD13 LEU 7 HD13 LEU 7 -6.929 9.591 -0.729
77 HD21 LEU 7 HD21 LEU 7 -5.718 7.344 -0.757
78 HD22 LEU 7 HD22 LEU 7 -4.421 8.056 0.203
79 HD23 LEU 7 HD23 LEU 7 -4.054 7.281 -1.341
80 H ALA 8 H ALA 8 -3.390 8.427 -6.042
81 HA ALA 8 HA ALA 8 -5.806 7.781 -7.599
82 HB1 ALA 8 HB1 ALA 8 -5.438 10.183 -7.640
83 HB2 ALA 8 HB2 ALA 8 -5.146 9.485 -9.234
84 HB3 ALA 8 HB3 ALA 8 -3.787 9.936 -8.206
85 H LYS 9 H LYS 9 -2.257 7.960 -7.670
86 HA LYS 9 HA LYS 9 -2.022 6.617 -10.150
87 HB2 LYS 9 HB2 LYS 9 -0.278 8.113 -9.260
88 HB3 LYS 9 HB3 LYS 9 0.066 6.943 -7.991
89 HG2 LYS 9 HG2 LYS 9 0.827 5.337 -9.605
90 HG3 LYS 9 HG3 LYS 9 0.326 6.380 -10.935
91 HD2 LYS 9 HD2 LYS 9 2.454 7.035 -8.900
92 HD3 LYS 9 HD3 LYS 9 2.746 6.486 -10.552
93 HE2 LYS 9 HE2 LYS 9 1.561 8.465 -11.399
94 HE3 LYS 9 HE3 LYS 9 1.331 9.020 -9.742
95 HZ1 LYS 9 HZ1 LYS 9 3.724 9.162 -9.489
96 HZ2 LYS 9 HZ2 LYS 9 3.213 10.101 -10.809
97 HZ3 LYS 9 HZ3 LYS 9 3.950 8.599 -11.072
98 HA PRO 10 HA PRO 10 -1.160 2.603 -7.792
99 HB2 PRO 10 HB2 PRO 10 -1.349 2.444 -5.115
100 HB3 PRO 10 HB3 PRO 10 0.128 2.980 -5.924
101 HG2 PRO 10 HG2 PRO 10 -1.977 4.584 -4.555
102 HG3 PRO 10 HG3 PRO 10 -0.221 4.815 -4.577
103 HD2 PRO 10 HD2 PRO 10 -2.022 6.222 -6.138
104 HD3 PRO 10 HD3 PRO 10 -0.297 6.035 -6.501
105 H ALA 11 H ALA 11 -3.719 4.680 -6.858
106 HA ALA 11 HA ALA 11 -5.965 4.446 -6.908
107 HB1 ALA 11 HB1 ALA 11 -5.625 2.982 -8.842
108 HB2 ALA 11 HB2 ALA 11 -7.012 2.492 -7.866
109 HB3 ALA 11 HB3 ALA 11 -5.495 1.596 -7.756
110 H LEU 12 H LEU 12 -4.039 2.357 -5.001
111 HA LEU 12 HA LEU 12 -6.298 1.811 -3.204
112 HB2 LEU 12 HB2 LEU 12 -3.605 0.517 -3.524
113 HB3 LEU 12 HB3 LEU 12 -4.552 0.291 -2.067
114 HG LEU 12 HG LEU 12 -4.931 -1.603 -3.444
115 HD11 LEU 12 HD11 LEU 12 -6.920 -0.791 -2.340
116 HD12 LEU 12 HD12 LEU 12 -7.338 -1.475 -3.909
117 HD13 LEU 12 HD13 LEU 12 -7.275 0.275 -3.699
118 HD21 LEU 12 HD21 LEU 12 -5.725 -1.473 -5.748
119 HD22 LEU 12 HD22 LEU 12 -4.150 -0.700 -5.568
120 HD23 LEU 12 HD23 LEU 12 -5.607 0.285 -5.696
121 H LEU 13 H LEU 13 -4.923 1.459 -0.829
122 HA LEU 13 HA LEU 13 -4.737 4.106 0.112
123 HB2 LEU 13 HB2 LEU 13 -3.831 1.510 1.363
124 HB3 LEU 13 HB3 LEU 13 -3.830 3.048 2.200
125 HG LEU 13 HG LEU 13 -6.343 3.129 1.742
126 HD11 LEU 13 HD11 LEU 13 -7.436 0.964 1.423
127 HD12 LEU 13 HD12 LEU 13 -5.862 0.209 1.177
128 HD13 LEU 13 HD13 LEU 13 -6.452 1.411 0.031
129 HD21 LEU 13 HD21 LEU 13 -6.835 1.714 3.671
130 HD22 LEU 13 HD22 LEU 13 -5.393 2.696 3.937
131 HD23 LEU 13 HD23 LEU 13 -5.233 0.984 3.544
132 H TRP 14 H TRP 14 -2.174 1.633 -0.026
133 HA TRP 14 HA TRP 14 -0.332 3.496 -1.202
134 HB2 TRP 14 HB2 TRP 14 -0.206 4.045 1.249
135 HB3 TRP 14 HB3 TRP 14 0.336 2.395 1.539
136 HD1 TRP 14 HD1 TRP 14 2.857 1.833 1.028
137 HE1 TRP 14 HE1 TRP 14 4.903 3.267 0.397
138 HE3 TRP 14 HE3 TRP 14 0.459 6.198 -0.118
139 HZ2 TRP 14 HZ2 TRP 14 5.422 5.906 -0.470
140 HZ3 TRP 14 HZ3 TRP 14 1.803 8.128 -0.835
141 HH2 TRP 14 HH2 TRP 14 4.235 7.984 -1.007
142 H LYS 15 H LYS 15 -0.696 1.725 -2.730
143 HA LYS 15 HA LYS 15 1.027 -0.582 -2.110
144 HB2 LYS 15 HB2 LYS 15 -1.285 -0.380 -4.048
145 HB3 LYS 15 HB3 LYS 15 -0.211 -1.766 -3.933
146 HG2 LYS 15 HG2 LYS 15 -2.061 -0.745 -1.787
147 HG3 LYS 15 HG3 LYS 15 -2.258 -2.210 -2.752
148 HD2 LYS 15 HD2 LYS 15 -0.112 -3.047 -1.796
149 HD3 LYS 15 HD3 LYS 15 -0.088 -1.639 -0.735
150 HE2 LYS 15 HE2 LYS 15 -0.987 -3.502 0.480
151 HE3 LYS 15 HE3 LYS 15 -2.284 -2.348 0.169
152 HZ1 LYS 15 HZ1 LYS 15 -2.934 -4.681 -0.226
153 HZ2 LYS 15 HZ2 LYS 15 -1.779 -4.776 -1.461
154 HZ3 LYS 15 HZ3 LYS 15 -3.087 -3.712 -1.611
155 H ALA 16 H ALA 16 1.990 1.946 -2.953
156 HA ALA 16 HA ALA 16 2.890 1.374 -5.695
157 HB1 ALA 16 HB1 ALA 16 1.713 3.502 -5.474
158 HB2 ALA 16 HB2 ALA 16 3.408 3.756 -5.884
159 HB3 ALA 16 HB3 ALA 16 2.854 4.011 -4.231
160 H LEU 17 H LEU 17 4.192 3.171 -2.888
161 HA LEU 17 HA LEU 17 6.805 1.991 -3.528
162 HB2 LEU 17 HB2 LEU 17 6.198 4.614 -3.521
163 HB3 LEU 17 HB3 LEU 17 6.628 4.417 -1.834
164 HG LEU 17 HG LEU 17 8.417 3.754 -4.175
165 HD11 LEU 17 HD11 LEU 17 9.705 5.714 -3.462
166 HD12 LEU 17 HD12 LEU 17 8.474 6.069 -2.249
167 HD13 LEU 17 HD13 LEU 17 8.067 6.140 -3.965
168 HD21 LEU 17 HD21 LEU 17 8.989 3.781 -1.211
169 HD22 LEU 17 HD22 LEU 17 10.177 3.522 -2.490
170 HD23 LEU 17 HD23 LEU 17 8.882 2.351 -2.237
171 H ALA 18 H ALA 18 5.684 0.217 -2.215
172 HA ALA 18 HA ALA 18 6.331 0.639 0.620
173 HB1 ALA 18 HB1 ALA 18 3.989 0.017 0.239
174 HB2 ALA 18 HB2 ALA 18 4.852 -1.223 1.146
175 HB3 ALA 18 HB3 ALA 18 4.516 -1.460 -0.568
176 H LEU 19 H LEU 19 5.945 -2.429 -1.036
177 HA LEU 19 HA LEU 19 8.752 -3.057 -0.494
178 HB2 LEU 19 HB2 LEU 19 6.436 -4.834 -1.274
179 HB3 LEU 19 HB3 LEU 19 8.082 -5.398 -1.042
180 HG LEU 19 HG LEU 19 6.346 -4.150 1.095
181 HD11 LEU 19 HD11 LEU 19 5.566 -6.364 0.454
182 HD12 LEU 19 HD12 LEU 19 6.303 -6.397 2.056
183 HD13 LEU 19 HD13 LEU 19 7.193 -7.010 0.663
184 HD21 LEU 19 HD21 LEU 19 9.080 -5.410 1.274
185 HD22 LEU 19 HD22 LEU 19 8.115 -4.826 2.629
186 HD23 LEU 19 HD23 LEU 19 8.722 -3.688 1.425
187 H LYS 20 H LYS 20 8.916 -1.349 -2.331
188 HA LYS 20 HA LYS 20 8.436 -2.400 -4.988
189 HB2 LYS 20 HB2 LYS 20 8.059 -0.005 -4.411
190 HB3 LYS 20 HB3 LYS 20 9.789 0.176 -4.171
191 HG2 LYS 20 HG2 LYS 20 10.183 -0.383 -6.512
192 HG3 LYS 20 HG3 LYS 20 8.448 -0.591 -6.756
193 HD2 LYS 20 HD2 LYS 20 8.122 1.779 -6.084
194 HD3 LYS 20 HD3 LYS 20 9.875 1.958 -5.997
195 HE2 LYS 20 HE2 LYS 20 8.288 1.206 -8.451
196 HE3 LYS 20 HE3 LYS 20 8.996 2.787 -8.125
197 HZ1 LYS 20 HZ1 LYS 20 10.523 0.254 -8.434
198 HZ2 LYS 20 HZ2 LYS 20 11.184 1.797 -8.169
199 HZ3 LYS 20 HZ3 LYS 20 10.368 1.458 -9.616
200 H LEU 21 H LEU 21 11.318 -1.024 -3.399
201 HA LEU 21 HA LEU 21 12.974 -2.800 -5.056
202 HB2 LEU 21 HB2 LEU 21 13.732 -0.285 -3.567
203 HB3 LEU 21 HB3 LEU 21 14.819 -1.246 -4.550
204 HG LEU 21 HG LEU 21 12.402 0.243 -5.579
205 HD11 LEU 21 HD11 LEU 21 14.167 1.753 -4.853
206 HD12 LEU 21 HD12 LEU 21 14.044 1.732 -6.612
207 HD13 LEU 21 HD13 LEU 21 15.346 0.854 -5.809
208 HD21 LEU 21 HD21 LEU 21 12.885 -1.747 -6.886
209 HD22 LEU 21 HD22 LEU 21 14.577 -1.274 -7.016
210 HD23 LEU 21 HD23 LEU 21 13.329 -0.297 -7.789
211 H LYS 22 H LYS 22 12.030 -2.070 -1.839
212 HA LYS 22 HA LYS 22 14.366 -3.117 -0.549
213 HB2 LYS 22 HB2 LYS 22 13.069 -1.316 0.475
214 HB3 LYS 22 HB3 LYS 22 11.653 -2.354 0.545
215 HG2 LYS 22 HG2 LYS 22 12.804 -3.830 2.114
216 HG3 LYS 22 HG3 LYS 22 14.233 -2.797 2.037
217 HD2 LYS 22 HD2 LYS 22 12.945 -0.930 2.934
218 HD3 LYS 22 HD3 LYS 22 11.497 -1.937 2.977
219 HE2 LYS 22 HE2 LYS 22 12.535 -3.408 4.602
220 HE3 LYS 22 HE3 LYS 22 14.035 -2.486 4.511
221 HZ1 LYS 22 HZ1 LYS 22 12.889 -0.570 5.409
222 HZ2 LYS 22 HZ2 LYS 22 12.715 -1.891 6.460
223 HZ3 LYS 22 HZ3 LYS 22 11.424 -1.425 5.463
224 H LYS 23 H LYS 23 14.747 -5.234 -0.706
225 HA LYS 23 HA LYS 23 12.682 -7.212 -0.654
226 HB2 LYS 23 HB2 LYS 23 15.660 -7.541 -0.226
227 HB3 LYS 23 HB3 LYS 23 14.516 -8.840 -0.517
228 HG2 LYS 23 HG2 LYS 23 14.059 -7.924 -2.747
229 HG3 LYS 23 HG3 LYS 23 15.250 -6.655 -2.451
230 HD2 LYS 23 HD2 LYS 23 16.966 -8.409 -2.106
231 HD3 LYS 23 HD3 LYS 23 15.766 -9.629 -2.536
232 HE2 LYS 23 HE2 LYS 23 15.534 -8.600 -4.749
233 HE3 LYS 23 HE3 LYS 23 16.741 -7.391 -4.308
234 HZ1 LYS 23 HZ1 LYS 23 17.160 -10.319 -4.592
235 HZ2 LYS 23 HZ2 LYS 23 18.315 -9.262 -3.940
236 HZ3 LYS 23 HZ3 LYS 23 17.823 -9.088 -5.553
237 H ALA 24 H ALA 24 11.598 -7.742 1.129
238 HA ALA 24 HA ALA 24 12.895 -7.313 3.730
239 HB1 ALA 24 HB1 ALA 24 10.643 -7.253 4.670
240 HB2 ALA 24 HB2 ALA 24 9.963 -7.573 3.073
241 HB3 ALA 24 HB3 ALA 24 10.827 -6.065 3.378