Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
621848 | 5lwc RC | 34044 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H FME 1 H FME 1 -12.151 -4.828 1.320
2 HCN FME 1 HF FME 1 -12.432 -3.926 3.464
3 HA FME 1 HA FME 1 -9.663 -3.787 0.871
4 HB2 FME 1 1HB FME 1 -11.805 -3.524 -1.226
5 HB3 FME 1 2HB FME 1 -11.163 -5.099 -0.748
6 HG2 FME 1 1HG FME 1 -8.863 -4.250 -1.231
7 HG3 FME 1 2HG FME 1 -9.571 -2.740 -1.809
8 HE1 FME 1 1HE FME 1 -8.041 -3.226 -3.600
9 HE2 FME 1 2HE FME 1 -8.585 -3.928 -5.122
10 HE3 FME 1 3HE FME 1 -7.739 -4.935 -3.954
11 H ALA 2 H ALA 2 -12.745 -2.083 0.716
12 HA ALA 2 HA ALA 2 -11.770 0.381 -0.241
13 HB1 ALA 2 1HB ALA 2 -14.139 -0.068 -0.224
14 HB2 ALA 2 2HB ALA 2 -13.845 1.312 0.825
15 HB3 ALA 2 3HB ALA 2 -14.137 -0.283 1.524
16 H GLY 3 H GLY 3 -12.109 -0.889 3.075
17 HA2 GLY 3 2HA GLY 3 -11.361 1.464 4.438
18 HA3 GLY 3 1HA GLY 3 -11.201 -0.172 5.067
19 H LEU 4 H LEU 4 -9.484 -1.254 3.187
20 HA LEU 4 HA LEU 4 -6.950 -0.530 4.142
21 HB2 LEU 4 2HB LEU 4 -7.606 -2.729 3.187
22 HB3 LEU 4 1HB LEU 4 -7.762 -1.991 1.607
23 HG LEU 4 HG LEU 4 -5.585 -3.334 2.304
24 HD11 LEU 4 1HD1 LEU 4 -4.267 -1.667 0.805
25 HD12 LEU 4 2HD1 LEU 4 -5.817 -0.854 0.641
26 HD13 LEU 4 3HD1 LEU 4 -5.650 -2.526 0.137
27 HD21 LEU 4 1HD2 LEU 4 -4.824 -0.544 3.183
28 HD22 LEU 4 2HD2 LEU 4 -3.790 -1.964 3.139
29 HD23 LEU 4 3HD2 LEU 4 -5.126 -1.879 4.286
30 H LEU 5 H LEU 5 -8.619 0.258 1.097
31 HA LEU 5 HA LEU 5 -6.530 1.777 -0.059
32 HB2 LEU 5 2HB LEU 5 -9.524 1.877 -0.456
33 HB3 LEU 5 1HB LEU 5 -8.377 2.779 -1.438
34 HG LEU 5 HG LEU 5 -8.261 -0.231 -1.076
35 HD11 LEU 5 1HD1 LEU 5 -10.358 0.340 -2.144
36 HD12 LEU 5 2HD1 LEU 5 -9.259 -0.277 -3.377
37 HD13 LEU 5 3HD1 LEU 5 -9.547 1.457 -3.239
38 HD21 LEU 5 1HD2 LEU 5 -6.156 0.392 -1.870
39 HD22 LEU 5 2HD2 LEU 5 -6.776 1.802 -2.731
40 HD23 LEU 5 3HD2 LEU 5 -7.024 0.186 -3.391
41 H ARG 6 H ARG 6 -9.305 2.737 1.965
42 HA ARG 6 HA ARG 6 -8.891 5.511 1.866
43 HB2 ARG 6 2HB ARG 6 -10.932 4.443 2.734
44 HB3 ARG 6 1HB ARG 6 -10.029 3.865 4.133
45 HG2 ARG 6 2HG ARG 6 -9.807 6.792 3.602
46 HG3 ARG 6 1HG ARG 6 -11.407 6.234 4.071
47 HD2 ARG 6 2HD ARG 6 -8.881 5.605 5.618
48 HD3 ARG 6 1HD ARG 6 -9.974 6.934 5.997
49 HE ARG 6 HE ARG 6 -11.508 4.591 5.875
50 HH11 ARG 6 1HH1 ARG 6 -12.088 3.556 7.812
51 HH12 ARG 6 2HH1 ARG 6 -11.161 3.837 9.248
52 HH21 ARG 6 1HH2 ARG 6 -8.927 5.992 7.690
53 HH22 ARG 6 2HH2 ARG 6 -9.355 5.211 9.175
54 H PHE 7 H PHE 7 -7.625 3.060 4.099
55 HA PHE 7 HA PHE 7 -6.277 4.802 5.833
56 HB2 PHE 7 2HB PHE 7 -6.704 2.449 6.356
57 HB3 PHE 7 1HB PHE 7 -5.637 1.945 5.047
58 HD1 PHE 7 1HD PHE 7 -3.269 1.819 5.377
59 HD2 PHE 7 2HD PHE 7 -5.752 3.791 8.279
60 HE1 PHE 7 1HE PHE 7 -1.343 1.955 6.940
61 HE2 PHE 7 2HE PHE 7 -3.831 3.923 9.834
62 HZ PHE 7 HZ PHE 7 -1.635 2.996 9.172
63 H LEU 8 H LEU 8 -5.179 3.115 2.889
64 HA LEU 8 HA LEU 8 -2.527 4.044 3.059
65 HB2 LEU 8 2HB LEU 8 -4.209 3.038 0.780
66 HB3 LEU 8 1HB LEU 8 -2.582 3.659 0.492
67 HG LEU 8 HG LEU 8 -3.019 1.612 2.653
68 HD11 LEU 8 1HD1 LEU 8 -2.715 1.063 -0.314
69 HD12 LEU 8 2HD1 LEU 8 -4.101 0.652 0.686
70 HD13 LEU 8 3HD1 LEU 8 -2.556 -0.154 0.949
71 HD21 LEU 8 1HD2 LEU 8 -0.814 2.934 2.086
72 HD22 LEU 8 2HD2 LEU 8 -0.707 1.808 0.736
73 HD23 LEU 8 3HD2 LEU 8 -0.721 1.203 2.388
74 H LEU 9 H LEU 9 -5.398 5.437 1.525
75 HA LEU 9 HA LEU 9 -4.116 7.612 0.250
76 HB2 LEU 9 2HB LEU 9 -6.447 6.878 -0.194
77 HB3 LEU 9 1HB LEU 9 -6.921 7.496 1.381
78 HG LEU 9 HG LEU 9 -6.202 9.770 0.716
79 HD11 LEU 9 1HD1 LEU 9 -5.873 9.979 -1.897
80 HD12 LEU 9 2HD1 LEU 9 -5.361 8.297 -1.771
81 HD13 LEU 9 3HD1 LEU 9 -4.499 9.553 -0.878
82 HD21 LEU 9 1HD2 LEU 9 -8.532 9.174 0.325
83 HD22 LEU 9 2HD2 LEU 9 -8.114 8.378 -1.191
84 HD23 LEU 9 3HD2 LEU 9 -7.967 10.127 -1.046
85 H SER 10 H SER 10 -5.629 7.314 3.463
86 HA SER 10 HA SER 10 -5.318 9.995 4.236
87 HB2 SER 10 2HB SER 10 -5.540 9.144 6.539
88 HB3 SER 10 1HB SER 10 -6.734 8.421 5.465
89 HG SER 10 HG SER 10 -5.918 6.621 6.206
90 H LYS 11 H LYS 11 -3.135 7.212 4.463
91 HA LYS 11 HA LYS 11 -1.172 8.650 5.981
92 HB2 LYS 11 2HB LYS 11 -0.961 6.117 4.342
93 HB3 LYS 11 1HB LYS 11 0.338 6.752 5.348
94 HG2 LYS 11 2HG LYS 11 -2.431 6.086 6.411
95 HG3 LYS 11 1HG LYS 11 -1.069 4.966 6.467
96 HD2 LYS 11 2HD LYS 11 0.181 6.962 7.634
97 HD3 LYS 11 1HD LYS 11 -1.446 7.558 7.953
98 HE2 LYS 11 2HE LYS 11 -2.027 5.404 9.025
99 HE3 LYS 11 1HE LYS 11 -0.386 4.836 8.723
100 HZ1 LYS 11 1HZ LYS 11 -1.294 6.930 10.585
101 HZ2 LYS 11 2HZ LYS 11 0.302 6.939 10.000
102 HZ3 LYS 11 3HZ LYS 11 -0.276 5.605 10.878
103 H GLY 12 H GLY 12 -1.509 7.921 2.520
104 HA2 GLY 12 2HA GLY 12 -0.082 10.300 1.784
105 HA3 GLY 12 1HA GLY 12 0.867 8.847 1.499
106 H ARG 13 H ARG 13 -0.016 10.613 -0.529
107 HA ARG 13 HA ARG 13 -2.290 9.377 -1.847
108 HB2 ARG 13 2HB ARG 13 -0.352 11.545 -2.668
109 HB3 ARG 13 1HB ARG 13 -1.677 10.974 -3.683
110 HG2 ARG 13 2HG ARG 13 -3.301 11.572 -1.931
111 HG3 ARG 13 1HG ARG 13 -1.986 12.124 -0.894
112 HD2 ARG 13 2HD ARG 13 -1.369 13.822 -2.558
113 HD3 ARG 13 1HD ARG 13 -2.665 13.268 -3.612
114 HE ARG 13 HE ARG 13 -2.964 14.818 -1.151
115 HH11 ARG 13 1HH1 ARG 13 -5.056 15.652 -0.831
116 HH12 ARG 13 2HH1 ARG 13 -6.356 15.120 -1.844
117 HH21 ARG 13 1HH2 ARG 13 -4.398 12.958 -3.697
118 HH22 ARG 13 2HH2 ARG 13 -5.987 13.600 -3.452
119 H ALA 14 H ALA 14 1.211 9.376 -1.992
120 HA ALA 14 HA ALA 14 1.527 8.083 -4.475
121 HB1 ALA 14 1HB ALA 14 3.737 7.300 -3.343
122 HB2 ALA 14 2HB ALA 14 3.222 8.347 -2.013
123 HB3 ALA 14 3HB ALA 14 3.484 9.027 -3.620
124 H LEU 15 H LEU 15 1.127 6.849 -1.194
125 HA LEU 15 HA LEU 15 1.540 4.113 -1.719
126 HB2 LEU 15 2HB LEU 15 -0.364 5.323 0.284
127 HB3 LEU 15 1HB LEU 15 0.427 3.755 0.373
128 HG LEU 15 HG LEU 15 1.923 6.385 0.306
129 HD11 LEU 15 1HD1 LEU 15 0.713 6.425 2.341
130 HD12 LEU 15 2HD1 LEU 15 2.301 5.808 2.777
131 HD13 LEU 15 3HD1 LEU 15 0.939 4.701 2.606
132 HD21 LEU 15 1HD2 LEU 15 2.666 3.480 0.658
133 HD22 LEU 15 2HD2 LEU 15 3.661 4.744 1.380
134 HD23 LEU 15 3HD2 LEU 15 3.420 4.708 -0.363
135 H TYR 16 H TYR 16 -1.352 6.161 -1.809
136 HA TYR 16 HA TYR 16 -3.233 4.127 -2.352
137 HB2 TYR 16 2HB TYR 16 -3.989 6.304 -1.626
138 HB3 TYR 16 1HB TYR 16 -3.282 7.075 -3.045
139 HD1 TYR 16 1HD TYR 16 -4.451 7.123 -5.129
140 HD2 TYR 16 2HD TYR 16 -5.842 4.636 -1.920
141 HE1 TYR 16 1HE TYR 16 -6.554 6.700 -6.373
142 HE2 TYR 16 2HE TYR 16 -7.946 4.216 -3.163
143 HH TYR 16 HH TYR 16 -8.856 6.052 -5.890
144 H ASN 17 H ASN 17 -1.379 6.258 -4.488
145 HA ASN 17 HA ASN 17 -2.485 5.379 -6.919
146 HB2 ASN 17 2HB ASN 17 -1.081 7.391 -6.723
147 HB3 ASN 17 1HB ASN 17 0.318 6.378 -6.369
148 HD21 ASN 17 1HD2 ASN 17 1.498 6.865 -8.302
149 HD22 ASN 17 2HD2 ASN 17 0.950 6.411 -9.842
150 H TRP 18 H TRP 18 0.336 4.205 -5.078
151 HA TRP 18 HA TRP 18 1.231 2.281 -6.915
152 HB2 TRP 18 2HB TRP 18 2.615 2.910 -5.045
153 HB3 TRP 18 1HB TRP 18 1.385 2.387 -3.901
154 HD1 TRP 18 HD TRP 18 1.249 -0.099 -3.292
155 HE1 TRP 18 1HE TRP 18 2.650 -2.176 -3.893
156 HE3 TRP 18 3HE TRP 18 4.046 1.820 -7.098
157 HZ2 TRP 18 2HZ TRP 18 4.691 -2.922 -5.758
158 HZ3 TRP 18 3HZ TRP 18 5.706 0.408 -8.276
159 HH2 TRP 18 HH TRP 18 6.033 -1.958 -7.611
160 H ALA 19 H ALA 19 -1.109 2.019 -4.237
161 HA ALA 19 HA ALA 19 -1.547 -0.757 -4.464
162 HB1 ALA 19 1HB ALA 19 -3.789 -0.170 -3.359
163 HB2 ALA 19 2HB ALA 19 -3.214 1.496 -3.357
164 HB3 ALA 19 3HB ALA 19 -2.323 0.256 -2.478
165 H LYS 20 H LYS 20 -3.147 2.019 -5.958
166 HA LYS 20 HA LYS 20 -5.208 0.577 -7.265
167 HB2 LYS 20 2HB LYS 20 -5.189 3.050 -6.945
168 HB3 LYS 20 1HB LYS 20 -3.893 3.162 -8.136
169 HG2 LYS 20 2HG LYS 20 -5.329 2.161 -9.842
170 HG3 LYS 20 1HG LYS 20 -6.624 1.960 -8.661
171 HD2 LYS 20 2HD LYS 20 -6.714 4.412 -8.348
172 HD3 LYS 20 1HD LYS 20 -5.433 4.605 -9.549
173 HE2 LYS 20 2HE LYS 20 -6.855 3.535 -11.251
174 HE3 LYS 20 1HE LYS 20 -8.136 3.326 -10.060
175 HZ1 LYS 20 1HZ LYS 20 -8.815 5.384 -10.430
176 HZ2 LYS 20 2HZ LYS 20 -7.660 5.534 -11.666
177 HZ3 LYS 20 3HZ LYS 20 -7.280 6.013 -10.081
178 H SER 21 H SER 21 -1.975 1.588 -8.316
179 HA SER 21 HA SER 21 -2.140 0.680 -10.967
180 HB2 SER 21 2HB SER 21 -0.375 2.190 -10.167
181 HB3 SER 21 1HB SER 21 0.294 0.897 -9.179
182 HG SER 21 HG SER 21 -0.003 -0.054 -11.622
183 H HIS 22 H HIS 22 -1.046 -1.005 -8.006
184 HA HIS 22 HA HIS 22 -1.124 -3.546 -9.532
185 HB2 HIS 22 2HB HIS 22 0.739 -2.894 -7.246
186 HB3 HIS 22 1HB HIS 22 0.746 -4.345 -8.249
187 HD1 HIS 22 1HD HIS 22 1.712 -0.720 -8.274
188 HD2 HIS 22 2HD HIS 22 1.839 -3.988 -10.859
189 HE1 HIS 22 1HE HIS 22 3.214 -0.052 -10.202
190 HE2 HIS 22 2HE HIS 22 3.303 -2.035 -11.785
191 H VAL 23 H VAL 23 -3.260 -3.903 -8.853
192 HA VAL 23 HA VAL 23 -4.061 -3.856 -6.136
193 HB VAL 23 HB VAL 23 -5.989 -5.229 -6.919
194 HG11 VAL 23 1HG1 VAL 23 -6.236 -2.852 -7.125
195 HG12 VAL 23 2HG1 VAL 23 -6.788 -3.536 -8.654
196 HG13 VAL 23 3HG1 VAL 23 -5.189 -2.798 -8.546
197 HG21 VAL 23 1HG2 VAL 23 -4.330 -5.285 -9.452
198 HG22 VAL 23 2HG2 VAL 23 -6.071 -5.572 -9.464
199 HG23 VAL 23 3HG2 VAL 23 -5.006 -6.651 -8.563
200 H GLY 24 H GLY 24 -2.353 -6.077 -8.125
201 HA2 GLY 24 2HA GLY 24 -2.775 -8.474 -6.718
202 HA3 GLY 24 1HA GLY 24 -1.353 -8.091 -7.694
203 H LYS 25 H LYS 25 -0.397 -5.870 -6.290
204 HA LYS 25 HA LYS 25 1.126 -7.107 -4.276
205 HB2 LYS 25 2HB LYS 25 0.565 -4.152 -4.690
206 HB3 LYS 25 1HB LYS 25 1.850 -4.815 -3.684
207 HG2 LYS 25 2HG LYS 25 1.647 -5.605 -6.575
208 HG3 LYS 25 1HG LYS 25 2.414 -4.082 -6.121
209 HD2 LYS 25 2HD LYS 25 3.964 -5.305 -4.642
210 HD3 LYS 25 1HD LYS 25 3.213 -6.830 -5.109
211 HE2 LYS 25 2HE LYS 25 3.826 -6.436 -7.453
212 HE3 LYS 25 1HE LYS 25 4.572 -4.905 -7.007
213 HZ1 LYS 25 1HZ LYS 25 6.406 -5.956 -6.380
214 HZ2 LYS 25 2HZ LYS 25 5.760 -7.393 -7.015
215 HZ3 LYS 25 3HZ LYS 25 5.541 -7.012 -5.373
216 H VAL 26 H VAL 26 -1.779 -5.122 -4.139
217 HA VAL 26 HA VAL 26 -1.976 -4.820 -1.350
218 HB VAL 26 HB VAL 26 -4.058 -4.889 -3.529
219 HG11 VAL 26 1HG1 VAL 26 -5.513 -3.741 -1.789
220 HG12 VAL 26 2HG1 VAL 26 -4.351 -4.281 -0.576
221 HG13 VAL 26 3HG1 VAL 26 -5.244 -5.466 -1.530
222 HG21 VAL 26 1HG2 VAL 26 -2.386 -3.047 -3.574
223 HG22 VAL 26 2HG2 VAL 26 -2.854 -2.605 -1.932
224 HG23 VAL 26 3HG2 VAL 26 -4.015 -2.456 -3.251
225 H TRP 27 H TRP 27 -3.289 -7.214 -3.558
226 HA TRP 27 HA TRP 27 -4.651 -8.747 -1.607
227 HB2 TRP 27 2HB TRP 27 -3.565 -9.445 -4.332
228 HB3 TRP 27 1HB TRP 27 -4.430 -10.606 -3.329
229 HD1 TRP 27 HD TRP 27 -5.043 -8.141 -5.916
230 HE1 TRP 27 1HE TRP 27 -7.532 -7.478 -6.008
231 HE3 TRP 27 3HE TRP 27 -6.622 -10.014 -1.424
232 HZ2 TRP 27 2HZ TRP 27 -9.888 -7.712 -4.380
233 HZ3 TRP 27 3HZ TRP 27 -8.987 -9.782 -0.723
234 HH2 TRP 27 HH TRP 27 -10.622 -8.636 -2.193
235 H GLU 28 H GLU 28 -1.391 -9.042 -2.955
236 HA GLU 28 HA GLU 28 -0.585 -11.386 -1.680
237 HB2 GLU 28 2HB GLU 28 0.707 -10.267 -3.474
238 HB3 GLU 28 1HB GLU 28 1.133 -8.983 -2.343
239 HG2 GLU 28 2HG GLU 28 2.230 -10.622 -0.872
240 HG3 GLU 28 1HG GLU 28 1.787 -11.921 -1.973
241 H TRP 29 H TRP 29 -0.296 -7.976 -0.525
242 HA TRP 29 HA TRP 29 1.033 -8.728 1.875
243 HB2 TRP 29 2HB TRP 29 -0.716 -6.293 1.737
244 HB3 TRP 29 1HB TRP 29 0.735 -6.568 2.667
245 HD1 TRP 29 HD TRP 29 -0.256 -4.489 0.076
246 HE1 TRP 29 1HE TRP 29 1.600 -3.914 -1.606
247 HE3 TRP 29 3HE TRP 29 3.147 -8.109 1.247
248 HZ2 TRP 29 2HZ TRP 29 4.180 -4.846 -2.360
249 HZ3 TRP 29 3HZ TRP 29 5.297 -8.217 0.035
250 HH2 TRP 29 HH TRP 29 5.824 -6.605 -1.766
251 H LEU 30 H LEU 30 -2.407 -8.302 1.066
252 HA LEU 30 HA LEU 30 -3.346 -8.530 3.727
253 HB2 LEU 30 2HB LEU 30 -4.670 -9.105 1.078
254 HB3 LEU 30 1HB LEU 30 -5.515 -9.231 2.623
255 HG LEU 30 HG LEU 30 -4.044 -6.741 1.704
256 HD11 LEU 30 1HD1 LEU 30 -5.831 -6.856 0.196
257 HD12 LEU 30 2HD1 LEU 30 -6.527 -5.924 1.524
258 HD13 LEU 30 3HD1 LEU 30 -6.894 -7.644 1.363
259 HD21 LEU 30 1HD2 LEU 30 -4.229 -6.438 3.987
260 HD22 LEU 30 2HD2 LEU 30 -5.603 -7.529 4.138
261 HD23 LEU 30 3HD2 LEU 30 -5.841 -5.889 3.539
262 H LYS 31 H LYS 31 -2.734 -10.967 1.226
263 HA LYS 31 HA LYS 31 -3.719 -13.190 2.643
264 HB2 LYS 31 2HB LYS 31 -3.111 -13.199 0.217
265 HB3 LYS 31 1HB LYS 31 -1.411 -13.131 0.680
266 HG2 LYS 31 2HG LYS 31 -1.626 -15.248 1.891
267 HG3 LYS 31 1HG LYS 31 -3.349 -15.311 1.511
268 HD2 LYS 31 2HD LYS 31 -2.797 -15.350 -0.907
269 HD3 LYS 31 1HD LYS 31 -1.079 -15.348 -0.497
270 HE2 LYS 31 2HE LYS 31 -3.028 -17.452 0.472
271 HE3 LYS 31 1HE LYS 31 -2.016 -17.644 -0.960
272 HZ1 LYS 31 1HZ LYS 31 -1.149 -17.313 1.854
273 HZ2 LYS 31 2HZ LYS 31 -0.085 -17.128 0.541
274 HZ3 LYS 31 3HZ LYS 31 -0.848 -18.622 0.818
275 H SER 32 H SER 32 -0.506 -11.687 2.515
276 HA SER 32 HA SER 32 0.859 -13.533 4.147
277 HB2 SER 32 2HB SER 32 1.337 -10.580 3.709
278 HB3 SER 32 1HB SER 32 2.475 -11.672 4.496
279 HG SER 32 HG SER 32 1.903 -12.915 2.345
280 H GLY 33 H GLY 33 -1.059 -10.680 4.906
281 HA2 GLY 33 2HA GLY 33 -2.308 -10.430 6.900
282 HA3 GLY 33 1HA GLY 33 -1.240 -11.579 7.692
283 H ALA 34 H ALA 34 0.587 -9.430 5.896
284 HA ALA 34 HA ALA 34 1.967 -8.322 8.020
285 HB1 ALA 34 1HB ALA 34 1.486 -7.323 5.219
286 HB2 ALA 34 2HB ALA 34 2.922 -8.119 5.863
287 HB3 ALA 34 3HB ALA 34 2.535 -6.467 6.348
288 H THR 35 H THR 35 2.059 -5.689 8.061
289 HA THR 35 HA THR 35 -0.626 -4.869 8.995
290 HB THR 35 HB THR 35 0.522 -3.320 10.452
291 HG1 THR 35 1HG THR 35 2.592 -2.865 10.205
292 HG21 THR 35 1HG2 THR 35 1.901 -6.026 10.491
293 HG22 THR 35 2HG2 THR 35 0.315 -5.687 11.186
294 HG23 THR 35 3HG2 THR 35 1.753 -4.915 11.853
295 H TYR 36 H TYR 36 -1.398 -2.803 8.478
296 HA TYR 36 HA TYR 36 -0.999 -1.945 5.849
297 HB2 TYR 36 2HB TYR 36 -2.033 -0.254 8.133
298 HB3 TYR 36 1HB TYR 36 -2.401 -0.077 6.416
299 HD1 TYR 36 1HD TYR 36 -3.171 -2.500 5.315
300 HD2 TYR 36 2HD TYR 36 -3.730 -1.248 9.391
301 HE1 TYR 36 1HE TYR 36 -5.038 -4.119 5.556
302 HE2 TYR 36 2HE TYR 36 -5.595 -2.868 9.627
303 HH TYR 36 HH TYR 36 -6.221 -5.131 8.425
304 H GLU 37 H GLU 37 0.362 -0.724 8.888
305 HA GLU 37 HA GLU 37 1.707 1.513 7.836
306 HB2 GLU 37 2HB GLU 37 1.300 1.116 10.243
307 HB3 GLU 37 1HB GLU 37 2.459 -0.214 10.194
308 HG2 GLU 37 2HG GLU 37 4.248 1.320 9.548
309 HG3 GLU 37 1HG GLU 37 3.105 2.664 9.490
310 H GLN 38 H GLN 38 2.893 -1.790 8.523
311 HA GLN 38 HA GLN 38 5.518 -1.398 7.625
312 HB2 GLN 38 2HB GLN 38 4.871 -3.342 8.890
313 HB3 GLN 38 1HB GLN 38 3.791 -3.879 7.612
314 HG2 GLN 38 2HG GLN 38 5.673 -4.211 6.104
315 HG3 GLN 38 1HG GLN 38 6.786 -3.549 7.300
316 HE21 GLN 38 1HE2 GLN 38 4.998 -6.414 6.372
317 HE22 GLN 38 2HE2 GLN 38 5.565 -7.405 7.629
318 H ILE 39 H ILE 39 2.606 -2.377 5.853
319 HA ILE 39 HA ILE 39 3.895 -2.953 3.422
320 HB ILE 39 HB ILE 39 1.029 -2.133 3.973
321 HG12 ILE 39 2HG1 ILE 39 2.099 -4.864 3.269
322 HG13 ILE 39 1HG1 ILE 39 2.112 -4.310 4.937
323 HG21 ILE 39 1HG2 ILE 39 0.563 -3.117 1.747
324 HG22 ILE 39 2HG2 ILE 39 2.293 -3.383 1.493
325 HG23 ILE 39 3HG2 ILE 39 1.649 -1.737 1.592
326 HD11 ILE 39 1HD1 ILE 39 -0.341 -3.826 4.748
327 HD12 ILE 39 2HD1 ILE 39 0.034 -5.532 4.558
328 HD13 ILE 39 3HD1 ILE 39 -0.324 -4.542 3.145
329 H LYS 40 H LYS 40 2.382 0.152 4.575
330 HA LYS 40 HA LYS 40 3.019 1.423 2.081
331 HB2 LYS 40 2HB LYS 40 2.853 3.607 3.180
332 HB3 LYS 40 1HB LYS 40 1.392 2.601 3.400
333 HG2 LYS 40 2HG LYS 40 2.065 2.032 5.652
334 HG3 LYS 40 1HG LYS 40 3.630 2.814 5.435
335 HD2 LYS 40 2HD LYS 40 2.477 4.998 5.113
336 HD3 LYS 40 1HD LYS 40 0.928 4.204 5.376
337 HE2 LYS 40 2HE LYS 40 1.996 5.403 7.398
338 HE3 LYS 40 1HE LYS 40 1.413 3.762 7.654
339 HZ1 LYS 40 1HZ LYS 40 3.674 4.182 8.539
340 HZ2 LYS 40 2HZ LYS 40 4.215 4.442 6.950
341 HZ3 LYS 40 3HZ LYS 40 3.617 2.921 7.407
342 H GLU 41 H GLU 41 4.755 0.935 5.106
343 HA GLU 41 HA GLU 41 6.837 2.724 4.702
344 HB2 GLU 41 2HB GLU 41 6.541 1.434 6.775
345 HB3 GLU 41 1HB GLU 41 7.027 -0.027 5.918
346 HG2 GLU 41 2HG GLU 41 9.205 0.961 5.422
347 HG3 GLU 41 1HG GLU 41 8.721 2.464 6.208
348 H TRP 42 H TRP 42 6.555 -0.682 3.636
349 HA TRP 42 HA TRP 42 9.018 -0.808 2.271
350 HB2 TRP 42 2HB TRP 42 6.385 -2.169 1.657
351 HB3 TRP 42 1HB TRP 42 7.906 -2.590 0.893
352 HD1 TRP 42 HD TRP 42 9.602 -2.376 3.774
353 HE1 TRP 42 1HE TRP 42 9.354 -4.350 5.401
354 HE3 TRP 42 3HE TRP 42 5.276 -4.449 2.000
355 HZ2 TRP 42 2HZ TRP 42 7.542 -6.531 5.901
356 HZ3 TRP 42 3HZ TRP 42 4.315 -6.466 3.067
357 HH2 TRP 42 HH TRP 42 5.440 -7.511 5.011
358 H ILE 43 H ILE 43 5.801 0.152 1.201
359 HA ILE 43 HA ILE 43 6.440 0.497 -1.524
360 HB ILE 43 HB ILE 43 4.314 1.769 0.194
361 HG12 ILE 43 2HG1 ILE 43 4.156 -0.433 -1.881
362 HG13 ILE 43 1HG1 ILE 43 4.357 -0.730 -0.152
363 HG21 ILE 43 1HG2 ILE 43 4.626 3.226 -1.722
364 HG22 ILE 43 2HG2 ILE 43 3.189 2.249 -2.009
365 HG23 ILE 43 3HG2 ILE 43 4.707 1.839 -2.816
366 HD11 ILE 43 1HD1 ILE 43 2.238 0.164 0.366
367 HD12 ILE 43 2HD1 ILE 43 1.947 -0.761 -1.094
368 HD13 ILE 43 3HD1 ILE 43 2.108 0.995 -1.179
369 H GLU 44 H GLU 44 6.405 2.883 1.094
370 HA GLU 44 HA GLU 44 7.100 4.971 -0.665
371 HB2 GLU 44 2HB GLU 44 7.285 6.385 1.257
372 HB3 GLU 44 1HB GLU 44 5.861 5.337 1.451
373 HG2 GLU 44 2HG GLU 44 6.666 4.552 3.401
374 HG3 GLU 44 1HG GLU 44 8.151 4.021 2.631
375 H ASN 45 H ASN 45 9.032 2.730 1.303
376 HA ASN 45 HA ASN 45 11.499 4.057 0.984
377 HB2 ASN 45 2HB ASN 45 11.167 2.241 2.599
378 HB3 ASN 45 1HB ASN 45 10.905 1.103 1.276
379 HD21 ASN 45 1HD2 ASN 45 12.798 -0.184 1.638
380 HD22 ASN 45 2HD2 ASN 45 14.370 0.431 1.460
381 H ALA 46 H ALA 46 9.824 1.606 -1.023
382 HA ALA 46 HA ALA 46 11.915 1.268 -2.900
383 HB1 ALA 46 1HB ALA 46 10.262 0.177 -4.280
384 HB2 ALA 46 2HB ALA 46 8.945 0.955 -3.399
385 HB3 ALA 46 3HB ALA 46 9.940 -0.260 -2.602
386 H LEU 47 H LEU 47 9.125 3.451 -2.751
387 HA LEU 47 HA LEU 47 9.379 4.636 -5.277
388 HB2 LEU 47 2HB LEU 47 7.547 4.829 -3.426
389 HB3 LEU 47 1HB LEU 47 8.535 6.169 -2.836
390 HG LEU 47 HG LEU 47 7.553 5.944 -5.699
391 HD11 LEU 47 1HD1 LEU 47 6.445 7.715 -3.505
392 HD12 LEU 47 2HD1 LEU 47 5.714 6.181 -3.973
393 HD13 LEU 47 3HD1 LEU 47 5.808 7.502 -5.136
394 HD21 LEU 47 1HD2 LEU 47 8.043 8.577 -5.289
395 HD22 LEU 47 2HD2 LEU 47 9.279 7.465 -5.863
396 HD23 LEU 47 3HD2 LEU 47 9.214 7.899 -4.157
397 H GLY 48 H GLY 48 10.833 5.555 -2.122
398 HA2 GLY 48 2HA GLY 48 12.136 7.892 -3.023
399 HA3 GLY 48 1HA GLY 48 12.599 6.941 -1.611
400 H TRP 49 H TRP 49 13.165 4.510 -2.846
401 HA TRP 49 HA TRP 49 15.843 4.887 -3.653
402 HB2 TRP 49 2HB TRP 49 13.979 2.514 -3.852
403 HB3 TRP 49 1HB TRP 49 15.666 2.449 -4.361
404 HD1 TRP 49 HD TRP 49 15.223 4.726 -1.464
405 HE1 TRP 49 1HE TRP 49 16.042 3.578 0.693
406 HE3 TRP 49 3HE TRP 49 15.679 -0.076 -3.138
407 HZ2 TRP 49 2HZ TRP 49 16.789 0.969 1.591
408 HZ3 TRP 49 3HZ TRP 49 16.448 -1.873 -1.612
409 HH2 TRP 49 HH TRP 49 17.004 -1.356 0.749
410 H ARG 50 H ARG 50 12.867 4.346 -5.493
411 HA ARG 50 HA ARG 50 14.205 4.159 -8.022
412 HB2 ARG 50 2HB ARG 50 11.309 4.595 -7.267
413 HB3 ARG 50 1HB ARG 50 11.868 4.460 -8.935
414 HG2 ARG 50 2HG ARG 50 12.783 2.237 -8.488
415 HG3 ARG 50 1HG ARG 50 12.329 2.367 -6.789
416 HD2 ARG 50 2HD ARG 50 9.954 2.535 -7.434
417 HD3 ARG 50 1HD ARG 50 10.405 2.401 -9.131
418 HE ARG 50 HE ARG 50 10.408 0.248 -7.156
419 HH11 ARG 50 1HH1 ARG 50 10.773 -1.825 -8.015
420 HH12 ARG 50 2HH1 ARG 50 11.260 -1.996 -9.669
421 HH21 ARG 50 1HH2 ARG 50 11.284 1.411 -10.296
422 HH22 ARG 50 2HH2 ARG 50 11.549 -0.168 -10.955
Start of MODEL 2
1 H FME 1 H FME 1 -11.899 -5.117 1.712
2 HCN FME 1 HF FME 1 -12.031 -4.338 3.906
3 HA FME 1 HA FME 1 -9.381 -4.075 1.219
4 HB2 FME 1 1HB FME 1 -11.618 -3.979 -0.803
5 HB3 FME 1 2HB FME 1 -10.875 -5.500 -0.306
6 HG2 FME 1 1HG FME 1 -8.649 -4.567 -0.957
7 HG3 FME 1 2HG FME 1 -9.464 -3.121 -1.558
8 HE1 FME 1 1HE FME 1 -8.057 -3.576 -3.386
9 HE2 FME 1 2HE FME 1 -8.595 -4.407 -4.844
10 HE3 FME 1 3HE FME 1 -7.636 -5.275 -3.647
11 H ALA 2 H ALA 2 -12.519 -2.459 1.128
12 HA ALA 2 HA ALA 2 -11.648 -0.008 0.019
13 HB1 ALA 2 1HB ALA 2 -13.754 0.874 0.690
14 HB2 ALA 2 2HB ALA 2 -13.915 -0.302 1.995
15 HB3 ALA 2 3HB ALA 2 -14.054 -0.821 0.314
16 H GLY 3 H GLY 3 -11.842 -1.170 3.365
17 HA2 GLY 3 2HA GLY 3 -11.239 1.277 4.639
18 HA3 GLY 3 1HA GLY 3 -10.953 -0.320 5.325
19 H LEU 4 H LEU 4 -9.181 -1.322 3.413
20 HA LEU 4 HA LEU 4 -6.714 -0.328 4.340
21 HB2 LEU 4 2HB LEU 4 -6.939 -2.602 3.537
22 HB3 LEU 4 1HB LEU 4 -7.413 -2.042 1.940
23 HG LEU 4 HG LEU 4 -4.999 -2.814 2.177
24 HD11 LEU 4 1HD1 LEU 4 -6.038 -0.870 0.565
25 HD12 LEU 4 2HD1 LEU 4 -4.380 -1.453 0.471
26 HD13 LEU 4 3HD1 LEU 4 -4.739 0.022 1.357
27 HD21 LEU 4 1HD2 LEU 4 -4.503 -0.157 3.511
28 HD22 LEU 4 2HD2 LEU 4 -3.427 -1.550 3.388
29 HD23 LEU 4 3HD2 LEU 4 -4.822 -1.606 4.466
30 H LEU 5 H LEU 5 -8.487 0.207 1.296
31 HA LEU 5 HA LEU 5 -6.541 1.814 0.035
32 HB2 LEU 5 2HB LEU 5 -9.552 1.742 -0.250
33 HB3 LEU 5 1HB LEU 5 -8.491 2.679 -1.301
34 HG LEU 5 HG LEU 5 -8.232 -0.303 -0.850
35 HD11 LEU 5 1HD1 LEU 5 -9.454 1.187 -3.193
36 HD12 LEU 5 2HD1 LEU 5 -10.363 0.301 -1.970
37 HD13 LEU 5 3HD1 LEU 5 -9.275 -0.563 -3.055
38 HD21 LEU 5 1HD2 LEU 5 -6.766 1.746 -2.473
39 HD22 LEU 5 2HD2 LEU 5 -6.989 0.150 -3.185
40 HD23 LEU 5 3HD2 LEU 5 -6.150 0.317 -1.647
41 H ARG 6 H ARG 6 -9.294 2.638 2.119
42 HA ARG 6 HA ARG 6 -9.034 5.428 1.972
43 HB2 ARG 6 2HB ARG 6 -11.010 4.303 2.920
44 HB3 ARG 6 1HB ARG 6 -10.045 3.737 4.278
45 HG2 ARG 6 2HG ARG 6 -9.915 6.673 3.793
46 HG3 ARG 6 1HG ARG 6 -11.495 6.073 4.279
47 HD2 ARG 6 2HD ARG 6 -8.936 5.452 5.779
48 HD3 ARG 6 1HD ARG 6 -10.018 6.776 6.201
49 HE ARG 6 HE ARG 6 -11.553 4.423 6.082
50 HH11 ARG 6 1HH1 ARG 6 -12.080 3.336 8.009
51 HH12 ARG 6 2HH1 ARG 6 -11.122 3.582 9.431
52 HH21 ARG 6 1HH2 ARG 6 -8.932 5.793 7.901
53 HH22 ARG 6 2HH2 ARG 6 -9.343 4.971 9.370
54 H PHE 7 H PHE 7 -7.606 3.079 4.223
55 HA PHE 7 HA PHE 7 -6.281 4.892 5.911
56 HB2 PHE 7 2HB PHE 7 -6.599 2.473 6.372
57 HB3 PHE 7 1HB PHE 7 -5.418 2.098 5.122
58 HD1 PHE 7 1HD PHE 7 -3.089 2.177 5.568
59 HD2 PHE 7 2HD PHE 7 -5.866 3.862 8.382
60 HE1 PHE 7 1HE PHE 7 -1.254 2.431 7.221
61 HE2 PHE 7 2HE PHE 7 -4.036 4.118 10.033
62 HZ PHE 7 HZ PHE 7 -1.734 3.400 9.459
63 H LEU 8 H LEU 8 -5.150 3.258 2.943
64 HA LEU 8 HA LEU 8 -2.533 4.303 3.045
65 HB2 LEU 8 2HB LEU 8 -4.232 3.156 0.854
66 HB3 LEU 8 1HB LEU 8 -2.668 3.870 0.473
67 HG LEU 8 HG LEU 8 -3.118 1.658 2.508
68 HD11 LEU 8 1HD1 LEU 8 -1.663 1.341 -0.103
69 HD12 LEU 8 2HD1 LEU 8 -3.419 1.215 -0.063
70 HD13 LEU 8 3HD1 LEU 8 -2.433 0.107 0.894
71 HD21 LEU 8 1HD2 LEU 8 -0.418 1.650 1.785
72 HD22 LEU 8 2HD2 LEU 8 -1.085 2.339 3.264
73 HD23 LEU 8 3HD2 LEU 8 -0.804 3.370 1.869
74 H LEU 9 H LEU 9 -5.495 5.506 1.510
75 HA LEU 9 HA LEU 9 -4.345 7.721 0.190
76 HB2 LEU 9 2HB LEU 9 -6.726 6.655 0.041
77 HB3 LEU 9 1HB LEU 9 -7.115 7.786 1.332
78 HG LEU 9 HG LEU 9 -5.878 8.571 -1.322
79 HD11 LEU 9 1HD1 LEU 9 -8.738 8.836 -0.347
80 HD12 LEU 9 2HD1 LEU 9 -8.180 7.702 -1.575
81 HD13 LEU 9 3HD1 LEU 9 -8.110 9.437 -1.882
82 HD21 LEU 9 1HD2 LEU 9 -6.953 10.845 -0.381
83 HD22 LEU 9 2HD2 LEU 9 -5.322 10.347 0.056
84 HD23 LEU 9 3HD2 LEU 9 -6.659 10.046 1.165
85 H SER 10 H SER 10 -5.778 7.395 3.434
86 HA SER 10 HA SER 10 -5.596 10.095 4.175
87 HB2 SER 10 2HB SER 10 -6.885 8.439 5.456
88 HB3 SER 10 1HB SER 10 -5.391 7.631 5.923
89 HG SER 10 HG SER 10 -5.377 9.010 7.505
90 H LYS 11 H LYS 11 -3.251 7.433 4.487
91 HA LYS 11 HA LYS 11 -1.335 9.000 5.909
92 HB2 LYS 11 2HB LYS 11 -1.028 6.452 4.315
93 HB3 LYS 11 1HB LYS 11 0.230 7.144 5.333
94 HG2 LYS 11 2HG LYS 11 -2.520 6.323 6.326
95 HG3 LYS 11 1HG LYS 11 -1.074 5.328 6.472
96 HD2 LYS 11 2HD LYS 11 -0.043 7.432 7.645
97 HD3 LYS 11 1HD LYS 11 -1.724 7.923 7.860
98 HE2 LYS 11 2HE LYS 11 -2.234 5.854 9.032
99 HE3 LYS 11 1HE LYS 11 -0.599 5.256 8.747
100 HZ1 LYS 11 1HZ LYS 11 0.130 6.371 10.500
101 HZ2 LYS 11 2HZ LYS 11 -1.472 6.794 10.872
102 HZ3 LYS 11 3HZ LYS 11 -0.517 7.828 9.920
103 H GLY 12 H GLY 12 -1.727 8.191 2.464
104 HA2 GLY 12 2HA GLY 12 -0.424 10.589 1.648
105 HA3 GLY 12 1HA GLY 12 0.621 9.189 1.431
106 H ARG 13 H ARG 13 -0.278 10.786 -0.688
107 HA ARG 13 HA ARG 13 -2.475 9.413 -2.013
108 HB2 ARG 13 2HB ARG 13 -0.631 11.649 -2.892
109 HB3 ARG 13 1HB ARG 13 -1.938 10.998 -3.882
110 HG2 ARG 13 2HG ARG 13 -3.576 11.611 -2.162
111 HG3 ARG 13 1HG ARG 13 -2.284 12.217 -1.126
112 HD2 ARG 13 2HD ARG 13 -2.838 13.278 -3.909
113 HD3 ARG 13 1HD ARG 13 -3.486 14.008 -2.443
114 HE ARG 13 HE ARG 13 -0.701 13.758 -2.140
115 HH11 ARG 13 1HH1 ARG 13 0.605 15.583 -2.470
116 HH12 ARG 13 2HH1 ARG 13 0.012 16.912 -3.407
117 HH21 ARG 13 1HH2 ARG 13 -3.052 15.416 -4.063
118 HH22 ARG 13 2HH2 ARG 13 -2.063 16.817 -4.308
119 H ALA 14 H ALA 14 1.014 9.542 -2.108
120 HA ALA 14 HA ALA 14 1.458 8.270 -4.562
121 HB1 ALA 14 1HB ALA 14 3.007 8.682 -2.053
122 HB2 ALA 14 2HB ALA 14 3.389 9.167 -3.704
123 HB3 ALA 14 3HB ALA 14 3.616 7.491 -3.204
124 H LEU 15 H LEU 15 1.152 6.874 -1.283
125 HA LEU 15 HA LEU 15 1.568 4.184 -2.000
126 HB2 LEU 15 2HB LEU 15 -0.266 5.141 0.197
127 HB3 LEU 15 1HB LEU 15 0.639 3.640 0.129
128 HG LEU 15 HG LEU 15 2.052 6.314 0.117
129 HD11 LEU 15 1HD1 LEU 15 2.339 5.793 2.632
130 HD12 LEU 15 2HD1 LEU 15 0.925 4.757 2.433
131 HD13 LEU 15 3HD1 LEU 15 0.808 6.487 2.105
132 HD21 LEU 15 1HD2 LEU 15 3.794 4.827 1.267
133 HD22 LEU 15 2HD2 LEU 15 3.518 4.520 -0.445
134 HD23 LEU 15 3HD2 LEU 15 2.811 3.455 0.770
135 H TYR 16 H TYR 16 -1.368 6.149 -1.844
136 HA TYR 16 HA TYR 16 -3.271 4.137 -2.329
137 HB2 TYR 16 2HB TYR 16 -3.895 6.337 -1.552
138 HB3 TYR 16 1HB TYR 16 -3.261 7.080 -3.014
139 HD1 TYR 16 1HD TYR 16 -4.793 7.658 -4.632
140 HD2 TYR 16 2HD TYR 16 -5.626 4.301 -2.080
141 HE1 TYR 16 1HE TYR 16 -6.974 7.343 -5.761
142 HE2 TYR 16 2HE TYR 16 -7.809 3.989 -3.212
143 HH TYR 16 HH TYR 16 -8.953 4.529 -5.174
144 H ASN 17 H ASN 17 -1.531 6.281 -4.585
145 HA ASN 17 HA ASN 17 -2.771 5.330 -6.937
146 HB2 ASN 17 2HB ASN 17 -1.465 7.389 -6.916
147 HB3 ASN 17 1HB ASN 17 0.002 6.483 -6.548
148 HD21 ASN 17 1HD2 ASN 17 1.133 6.900 -8.515
149 HD22 ASN 17 2HD2 ASN 17 0.581 6.361 -10.029
150 H TRP 18 H TRP 18 0.105 4.294 -5.186
151 HA TRP 18 HA TRP 18 1.068 2.372 -6.980
152 HB2 TRP 18 2HB TRP 18 2.461 3.018 -5.160
153 HB3 TRP 18 1HB TRP 18 1.218 2.630 -3.976
154 HD1 TRP 18 HD TRP 18 1.143 0.235 -3.043
155 HE1 TRP 18 1HE TRP 18 2.486 -1.927 -3.496
156 HE3 TRP 18 3HE TRP 18 3.769 1.665 -7.190
157 HZ2 TRP 18 2HZ TRP 18 4.425 -2.910 -5.364
158 HZ3 TRP 18 3HZ TRP 18 5.354 0.106 -8.278
159 HH2 TRP 18 HH TRP 18 5.687 -2.179 -7.371
160 H ALA 19 H ALA 19 -1.189 2.031 -4.251
161 HA ALA 19 HA ALA 19 -1.594 -0.738 -4.502
162 HB1 ALA 19 1HB ALA 19 -3.288 1.473 -3.346
163 HB2 ALA 19 2HB ALA 19 -2.324 0.268 -2.488
164 HB3 ALA 19 3HB ALA 19 -3.803 -0.213 -3.321
165 H LYS 20 H LYS 20 -3.280 2.013 -5.953
166 HA LYS 20 HA LYS 20 -5.339 0.528 -7.195
167 HB2 LYS 20 2HB LYS 20 -5.394 2.981 -6.869
168 HB3 LYS 20 1HB LYS 20 -4.118 3.152 -8.078
169 HG2 LYS 20 2HG LYS 20 -5.553 2.077 -9.762
170 HG3 LYS 20 1HG LYS 20 -6.827 1.881 -8.561
171 HD2 LYS 20 2HD LYS 20 -6.957 4.332 -8.291
172 HD3 LYS 20 1HD LYS 20 -5.688 4.530 -9.502
173 HE2 LYS 20 2HE LYS 20 -7.891 4.829 -10.545
174 HE3 LYS 20 1HE LYS 20 -7.122 3.365 -11.164
175 HZ1 LYS 20 1HZ LYS 20 -8.835 3.149 -8.798
176 HZ2 LYS 20 2HZ LYS 20 -8.548 2.020 -10.035
177 HZ3 LYS 20 3HZ LYS 20 -9.580 3.341 -10.309
178 H SER 21 H SER 21 -2.160 1.609 -8.374
179 HA SER 21 HA SER 21 -2.436 0.684 -11.020
180 HB2 SER 21 2HB SER 21 0.023 0.832 -11.101
181 HB3 SER 21 1HB SER 21 -0.692 2.255 -10.350
182 HG SER 21 HG SER 21 1.173 0.939 -9.313
183 H HIS 22 H HIS 22 -1.191 -0.925 -8.093
184 HA HIS 22 HA HIS 22 -1.202 -3.483 -9.603
185 HB2 HIS 22 2HB HIS 22 0.760 -2.458 -7.548
186 HB3 HIS 22 1HB HIS 22 0.622 -4.165 -7.958
187 HD1 HIS 22 1HD HIS 22 1.463 -0.822 -9.539
188 HD2 HIS 22 2HD HIS 22 1.840 -4.888 -10.378
189 HE1 HIS 22 1HE HIS 22 2.910 -0.995 -11.611
190 HE2 HIS 22 2HE HIS 22 3.154 -3.467 -12.133
191 H VAL 23 H VAL 23 -3.342 -3.868 -8.890
192 HA VAL 23 HA VAL 23 -4.083 -3.858 -6.150
193 HB VAL 23 HB VAL 23 -6.011 -5.242 -6.907
194 HG11 VAL 23 1HG1 VAL 23 -5.246 -2.853 -8.608
195 HG12 VAL 23 2HG1 VAL 23 -6.217 -2.846 -7.135
196 HG13 VAL 23 3HG1 VAL 23 -6.855 -3.575 -8.610
197 HG21 VAL 23 1HG2 VAL 23 -6.118 -5.565 -9.455
198 HG22 VAL 23 2HG2 VAL 23 -5.058 -6.657 -8.561
199 HG23 VAL 23 3HG2 VAL 23 -4.376 -5.291 -9.445
200 H GLY 24 H GLY 24 -2.369 -6.047 -8.189
201 HA2 GLY 24 2HA GLY 24 -2.765 -8.465 -6.803
202 HA3 GLY 24 1HA GLY 24 -1.364 -8.082 -7.798
203 H LYS 25 H LYS 25 -0.404 -5.848 -6.361
204 HA LYS 25 HA LYS 25 1.150 -7.100 -4.362
205 HB2 LYS 25 2HB LYS 25 0.561 -4.166 -4.829
206 HB3 LYS 25 1HB LYS 25 1.818 -4.776 -3.755
207 HG2 LYS 25 2HG LYS 25 1.736 -5.656 -6.630
208 HG3 LYS 25 1HG LYS 25 2.453 -4.106 -6.200
209 HD2 LYS 25 2HD LYS 25 3.986 -5.243 -4.637
210 HD3 LYS 25 1HD LYS 25 3.279 -6.798 -5.065
211 HE2 LYS 25 2HE LYS 25 5.312 -6.472 -6.361
212 HE3 LYS 25 1HE LYS 25 3.915 -6.397 -7.438
213 HZ1 LYS 25 1HZ LYS 25 5.412 -4.100 -6.308
214 HZ2 LYS 25 2HZ LYS 25 3.971 -3.957 -7.196
215 HZ3 LYS 25 3HZ LYS 25 5.369 -4.586 -7.931
216 H VAL 26 H VAL 26 -1.764 -5.130 -4.244
217 HA VAL 26 HA VAL 26 -1.948 -4.821 -1.456
218 HB VAL 26 HB VAL 26 -4.098 -4.938 -3.572
219 HG11 VAL 26 1HG1 VAL 26 -5.135 -5.452 -1.440
220 HG12 VAL 26 2HG1 VAL 26 -5.475 -3.762 -1.802
221 HG13 VAL 26 3HG1 VAL 26 -4.218 -4.178 -0.637
222 HG21 VAL 26 1HG2 VAL 26 -3.040 -2.542 -2.066
223 HG22 VAL 26 2HG2 VAL 26 -3.965 -2.567 -3.567
224 HG23 VAL 26 3HG2 VAL 26 -2.284 -3.101 -3.558
225 H TRP 27 H TRP 27 -3.293 -7.235 -3.637
226 HA TRP 27 HA TRP 27 -4.659 -8.747 -1.691
227 HB2 TRP 27 2HB TRP 27 -3.569 -9.450 -4.419
228 HB3 TRP 27 1HB TRP 27 -4.421 -10.625 -3.417
229 HD1 TRP 27 HD TRP 27 -5.093 -8.180 -6.012
230 HE1 TRP 27 1HE TRP 27 -7.574 -7.475 -6.026
231 HE3 TRP 27 3HE TRP 27 -6.564 -10.026 -1.483
232 HZ2 TRP 27 2HZ TRP 27 -9.869 -7.661 -4.338
233 HZ3 TRP 27 3HZ TRP 27 -8.903 -9.744 -0.708
234 HH2 TRP 27 HH TRP 27 -10.555 -8.565 -2.131
235 H GLU 28 H GLU 28 -1.384 -9.021 -3.007
236 HA GLU 28 HA GLU 28 -0.598 -11.374 -1.735
237 HB2 GLU 28 2HB GLU 28 0.650 -10.161 -3.548
238 HB3 GLU 28 1HB GLU 28 1.182 -9.000 -2.331
239 HG2 GLU 28 2HG GLU 28 2.918 -10.651 -2.554
240 HG3 GLU 28 1HG GLU 28 2.115 -10.944 -1.012
241 H TRP 29 H TRP 29 -0.309 -7.974 -0.591
242 HA TRP 29 HA TRP 29 1.037 -8.730 1.807
243 HB2 TRP 29 2HB TRP 29 -0.713 -6.299 1.648
244 HB3 TRP 29 1HB TRP 29 0.722 -6.553 2.612
245 HD1 TRP 29 HD TRP 29 -0.234 -4.514 -0.015
246 HE1 TRP 29 1HE TRP 29 1.658 -3.943 -1.662
247 HE3 TRP 29 3HE TRP 29 3.149 -8.126 1.246
248 HZ2 TRP 29 2HZ TRP 29 4.272 -4.878 -2.346
249 HZ3 TRP 29 3HZ TRP 29 5.321 -8.242 0.094
250 HH2 TRP 29 HH TRP 29 5.898 -6.635 -1.694
251 H LEU 30 H LEU 30 -2.398 -8.301 0.997
252 HA LEU 30 HA LEU 30 -3.330 -8.559 3.669
253 HB2 LEU 30 2HB LEU 30 -4.579 -8.816 0.968
254 HB3 LEU 30 1HB LEU 30 -5.456 -9.490 2.338
255 HG LEU 30 HG LEU 30 -5.154 -7.228 3.493
256 HD11 LEU 30 1HD1 LEU 30 -3.312 -6.569 1.758
257 HD12 LEU 30 2HD1 LEU 30 -4.465 -5.342 2.282
258 HD13 LEU 30 3HD1 LEU 30 -4.679 -6.145 0.728
259 HD21 LEU 30 1HD2 LEU 30 -7.025 -6.232 2.310
260 HD22 LEU 30 2HD2 LEU 30 -7.252 -7.981 2.375
261 HD23 LEU 30 3HD2 LEU 30 -6.691 -7.219 0.885
262 H LYS 31 H LYS 31 -2.745 -10.981 1.135
263 HA LYS 31 HA LYS 31 -3.713 -13.215 2.553
264 HB2 LYS 31 2HB LYS 31 -3.088 -13.244 0.133
265 HB3 LYS 31 1HB LYS 31 -1.390 -13.145 0.605
266 HG2 LYS 31 2HG LYS 31 -1.590 -15.251 1.848
267 HG3 LYS 31 1HG LYS 31 -3.303 -15.345 1.438
268 HD2 LYS 31 2HD LYS 31 -2.723 -15.435 -0.961
269 HD3 LYS 31 1HD LYS 31 -1.009 -15.363 -0.544
270 HE2 LYS 31 2HE LYS 31 -1.227 -17.459 0.734
271 HE3 LYS 31 1HE LYS 31 -2.940 -17.532 0.328
272 HZ1 LYS 31 1HZ LYS 31 -0.987 -17.294 -1.849
273 HZ2 LYS 31 2HZ LYS 31 -2.507 -18.054 -1.836
274 HZ3 LYS 31 3HZ LYS 31 -1.175 -18.799 -1.089
275 H SER 32 H SER 32 -0.513 -11.687 2.453
276 HA SER 32 HA SER 32 0.828 -13.535 4.095
277 HB2 SER 32 2HB SER 32 1.999 -11.844 2.754
278 HB3 SER 32 1HB SER 32 1.316 -10.567 3.756
279 HG SER 32 HG SER 32 3.405 -11.140 4.453
280 H GLY 33 H GLY 33 -1.001 -10.594 4.892
281 HA2 GLY 33 2HA GLY 33 -2.314 -10.450 6.898
282 HA3 GLY 33 1HA GLY 33 -1.189 -11.555 7.681
283 H ALA 34 H ALA 34 0.620 -9.436 5.878
284 HA ALA 34 HA ALA 34 1.916 -8.213 7.992
285 HB1 ALA 34 1HB ALA 34 2.480 -6.399 6.260
286 HB2 ALA 34 2HB ALA 34 1.521 -7.358 5.132
287 HB3 ALA 34 3HB ALA 34 2.957 -8.055 5.882
288 H THR 35 H THR 35 1.966 -5.639 8.102
289 HA THR 35 HA THR 35 -0.776 -4.833 8.855
290 HB THR 35 HB THR 35 0.276 -3.244 10.352
291 HG1 THR 35 1HG THR 35 2.607 -3.269 10.455
292 HG21 THR 35 1HG2 THR 35 1.485 -6.017 10.420
293 HG22 THR 35 2HG2 THR 35 0.043 -5.458 11.265
294 HG23 THR 35 3HG2 THR 35 1.632 -4.867 11.749
295 H TYR 36 H TYR 36 -1.492 -2.706 8.344
296 HA TYR 36 HA TYR 36 -1.042 -1.911 5.702
297 HB2 TYR 36 2HB TYR 36 -2.054 -0.059 7.836
298 HB3 TYR 36 1HB TYR 36 -2.510 -0.133 6.132
299 HD1 TYR 36 1HD TYR 36 -3.130 -2.836 5.533
300 HD2 TYR 36 2HD TYR 36 -3.792 -0.720 9.209
301 HE1 TYR 36 1HE TYR 36 -4.978 -4.396 6.098
302 HE2 TYR 36 2HE TYR 36 -5.639 -2.278 9.778
303 HH TYR 36 HH TYR 36 -6.305 -5.119 7.794
304 H GLU 37 H GLU 37 0.250 -0.676 8.745
305 HA GLU 37 HA GLU 37 1.606 1.546 7.680
306 HB2 GLU 37 2HB GLU 37 2.132 -0.113 10.143
307 HB3 GLU 37 1HB GLU 37 2.989 1.381 9.768
308 HG2 GLU 37 2HG GLU 37 0.894 2.636 9.786
309 HG3 GLU 37 1HG GLU 37 -0.024 1.152 10.042
310 H GLN 38 H GLN 38 2.777 -1.717 8.455
311 HA GLN 38 HA GLN 38 5.416 -1.334 7.611
312 HB2 GLN 38 2HB GLN 38 4.798 -3.244 8.932
313 HB3 GLN 38 1HB GLN 38 3.702 -3.820 7.674
314 HG2 GLN 38 2HG GLN 38 5.554 -4.208 6.164
315 HG3 GLN 38 1HG GLN 38 6.684 -3.466 7.298
316 HE21 GLN 38 1HE2 GLN 38 4.993 -6.415 6.516
317 HE22 GLN 38 2HE2 GLN 38 5.603 -7.335 7.805
318 H ILE 39 H ILE 39 2.543 -2.360 5.779
319 HA ILE 39 HA ILE 39 3.876 -2.985 3.391
320 HB ILE 39 HB ILE 39 1.021 -2.112 3.902
321 HG12 ILE 39 2HG1 ILE 39 2.096 -4.855 3.249
322 HG13 ILE 39 1HG1 ILE 39 2.070 -4.272 4.908
323 HG21 ILE 39 1HG2 ILE 39 0.612 -3.209 1.678
324 HG22 ILE 39 2HG2 ILE 39 2.359 -3.331 1.453
325 HG23 ILE 39 3HG2 ILE 39 1.584 -1.747 1.545
326 HD11 ILE 39 1HD1 ILE 39 -0.374 -3.799 4.638
327 HD12 ILE 39 2HD1 ILE 39 0.016 -5.503 4.508
328 HD13 ILE 39 3HD1 ILE 39 -0.309 -4.554 3.056
329 H LYS 40 H LYS 40 2.402 0.169 4.485
330 HA LYS 40 HA LYS 40 3.116 1.413 1.988
331 HB2 LYS 40 2HB LYS 40 2.925 3.629 3.074
332 HB3 LYS 40 1HB LYS 40 1.456 2.628 3.245
333 HG2 LYS 40 2HG LYS 40 1.987 2.090 5.514
334 HG3 LYS 40 1HG LYS 40 3.601 2.790 5.378
335 HD2 LYS 40 2HD LYS 40 2.526 5.015 4.914
336 HD3 LYS 40 1HD LYS 40 0.959 4.274 5.231
337 HE2 LYS 40 2HE LYS 40 1.550 3.814 7.518
338 HE3 LYS 40 1HE LYS 40 3.231 4.264 7.236
339 HZ1 LYS 40 1HZ LYS 40 1.268 6.290 6.560
340 HZ2 LYS 40 2HZ LYS 40 2.755 6.438 7.373
341 HZ3 LYS 40 3HZ LYS 40 1.374 5.918 8.212
342 H GLU 41 H GLU 41 4.736 0.946 5.063
343 HA GLU 41 HA GLU 41 6.858 2.696 4.734
344 HB2 GLU 41 2HB GLU 41 6.482 1.428 6.797
345 HB3 GLU 41 1HB GLU 41 6.939 -0.058 5.966
346 HG2 GLU 41 2HG GLU 41 9.171 0.871 5.515
347 HG3 GLU 41 1HG GLU 41 8.714 2.374 6.315
348 H TRP 42 H TRP 42 6.553 -0.705 3.677
349 HA TRP 42 HA TRP 42 9.057 -0.865 2.395
350 HB2 TRP 42 2HB TRP 42 6.454 -2.241 1.686
351 HB3 TRP 42 1HB TRP 42 8.019 -2.665 1.014
352 HD1 TRP 42 HD TRP 42 9.594 -2.430 3.926
353 HE1 TRP 42 1HE TRP 42 9.272 -4.380 5.571
354 HE3 TRP 42 3HE TRP 42 5.287 -4.463 2.065
355 HZ2 TRP 42 2HZ TRP 42 7.442 -6.524 6.042
356 HZ3 TRP 42 3HZ TRP 42 4.278 -6.462 3.129
357 HH2 TRP 42 HH TRP 42 5.351 -7.493 5.116
358 H ILE 43 H ILE 43 5.875 0.095 1.190
359 HA ILE 43 HA ILE 43 6.620 0.408 -1.522
360 HB ILE 43 HB ILE 43 4.439 1.680 0.134
361 HG12 ILE 43 2HG1 ILE 43 4.297 -0.483 -1.972
362 HG13 ILE 43 1HG1 ILE 43 4.520 -0.833 -0.258
363 HG21 ILE 43 1HG2 ILE 43 3.367 2.170 -2.088
364 HG22 ILE 43 2HG2 ILE 43 4.897 1.752 -2.865
365 HG23 ILE 43 3HG2 ILE 43 4.807 3.138 -1.775
366 HD11 ILE 43 1HD1 ILE 43 2.407 -0.012 0.319
367 HD12 ILE 43 2HD1 ILE 43 2.096 -0.807 -1.224
368 HD13 ILE 43 3HD1 ILE 43 2.265 0.947 -1.153
369 H GLU 44 H GLU 44 6.532 2.822 1.098
370 HA GLU 44 HA GLU 44 7.285 4.912 -0.635
371 HB2 GLU 44 2HB GLU 44 7.439 6.332 1.290
372 HB3 GLU 44 1HB GLU 44 6.011 5.304 1.450
373 HG2 GLU 44 2HG GLU 44 6.741 4.523 3.427
374 HG3 GLU 44 1HG GLU 44 8.236 3.955 2.695
375 H ASN 45 H ASN 45 9.158 2.669 1.391
376 HA ASN 45 HA ASN 45 11.635 3.998 1.111
377 HB2 ASN 45 2HB ASN 45 11.288 2.172 2.719
378 HB3 ASN 45 1HB ASN 45 11.051 1.043 1.385
379 HD21 ASN 45 1HD2 ASN 45 12.946 -0.218 1.880
380 HD22 ASN 45 2HD2 ASN 45 14.514 0.390 1.664
381 H ALA 46 H ALA 46 9.980 1.544 -0.886
382 HA ALA 46 HA ALA 46 12.081 1.156 -2.732
383 HB1 ALA 46 1HB ALA 46 10.306 -0.444 -2.712
384 HB2 ALA 46 2HB ALA 46 10.203 0.391 -4.261
385 HB3 ALA 46 3HB ALA 46 9.087 0.807 -2.961
386 H LEU 47 H LEU 47 9.332 3.380 -2.662
387 HA LEU 47 HA LEU 47 9.642 4.530 -5.192
388 HB2 LEU 47 2HB LEU 47 7.778 4.756 -3.372
389 HB3 LEU 47 1HB LEU 47 8.744 6.114 -2.801
390 HG LEU 47 HG LEU 47 7.804 5.802 -5.669
391 HD11 LEU 47 1HD1 LEU 47 5.822 6.095 -4.410
392 HD12 LEU 47 2HD1 LEU 47 6.244 7.719 -4.954
393 HD13 LEU 47 3HD1 LEU 47 6.595 7.223 -3.298
394 HD21 LEU 47 1HD2 LEU 47 9.389 7.838 -4.148
395 HD22 LEU 47 2HD2 LEU 47 8.263 8.436 -5.367
396 HD23 LEU 47 3HD2 LEU 47 9.546 7.319 -5.826
397 H GLY 48 H GLY 48 11.057 5.443 -2.042
398 HA2 GLY 48 2HA GLY 48 12.397 7.761 -2.958
399 HA3 GLY 48 1HA GLY 48 12.815 6.829 -1.520
400 H TRP 49 H TRP 49 13.404 4.359 -2.694
401 HA TRP 49 HA TRP 49 16.095 4.719 -3.460
402 HB2 TRP 49 2HB TRP 49 15.490 2.637 -2.473
403 HB3 TRP 49 1HB TRP 49 14.224 2.353 -3.667
404 HD1 TRP 49 HD TRP 49 18.066 2.854 -3.619
405 HE1 TRP 49 1HE TRP 49 19.098 1.335 -5.427
406 HE3 TRP 49 3HE TRP 49 13.816 0.822 -5.613
407 HZ2 TRP 49 2HZ TRP 49 18.242 -0.496 -7.449
408 HZ3 TRP 49 3HZ TRP 49 13.959 -0.807 -7.477
409 HH2 TRP 49 HH TRP 49 16.165 -1.467 -8.396
410 H ARG 50 H ARG 50 13.163 4.128 -5.357
411 HA ARG 50 HA ARG 50 14.442 3.862 -7.874
412 HB2 ARG 50 2HB ARG 50 11.633 4.657 -7.088
413 HB3 ARG 50 1HB ARG 50 12.144 4.464 -8.766
414 HG2 ARG 50 2HG ARG 50 12.794 2.136 -8.322
415 HG3 ARG 50 1HG ARG 50 12.343 2.320 -6.627
416 HD2 ARG 50 2HD ARG 50 10.015 2.758 -7.276
417 HD3 ARG 50 1HD ARG 50 10.453 2.628 -8.978
418 HE ARG 50 HE ARG 50 11.269 0.258 -7.748
419 HH11 ARG 50 1HH1 ARG 50 9.942 -1.591 -7.800
420 HH12 ARG 50 2HH1 ARG 50 8.242 -1.419 -8.085
421 HH21 ARG 50 1HH2 ARG 50 8.370 2.033 -8.367
422 HH22 ARG 50 2HH2 ARG 50 7.352 0.631 -8.404
Start of MODEL 3
1 H FME 1 H FME 1 -12.354 -3.682 1.932
2 HCN FME 1 HF FME 1 -12.133 -5.833 2.811
3 HA FME 1 HA FME 1 -9.645 -3.903 0.966
4 HB2 FME 1 1HB FME 1 -11.882 -3.830 -1.066
5 HB3 FME 1 2HB FME 1 -10.959 -5.278 -0.669
6 HG2 FME 1 1HG FME 1 -8.871 -4.082 -1.297
7 HG3 FME 1 2HG FME 1 -9.835 -2.677 -1.751
8 HE1 FME 1 1HE FME 1 -8.351 -4.905 -4.854
9 HE2 FME 1 2HE FME 1 -7.791 -5.009 -3.186
10 HE3 FME 1 3HE FME 1 -8.063 -3.430 -3.919
11 H ALA 2 H ALA 2 -12.769 -2.268 0.825
12 HA ALA 2 HA ALA 2 -11.894 0.207 -0.188
13 HB1 ALA 2 1HB ALA 2 -14.289 -0.590 0.101
14 HB2 ALA 2 2HB ALA 2 -13.980 1.079 0.576
15 HB3 ALA 2 3HB ALA 2 -14.129 -0.173 1.807
16 H GLY 3 H GLY 3 -12.115 -1.014 3.145
17 HA2 GLY 3 2HA GLY 3 -11.412 1.398 4.427
18 HA3 GLY 3 1HA GLY 3 -11.209 -0.214 5.108
19 H LEU 4 H LEU 4 -9.483 -1.274 3.160
20 HA LEU 4 HA LEU 4 -6.957 -0.498 4.108
21 HB2 LEU 4 2HB LEU 4 -7.570 -2.705 3.125
22 HB3 LEU 4 1HB LEU 4 -7.719 -1.950 1.551
23 HG LEU 4 HG LEU 4 -5.526 -3.256 2.268
24 HD11 LEU 4 1HD1 LEU 4 -5.551 -2.464 0.107
25 HD12 LEU 4 2HD1 LEU 4 -4.233 -1.529 0.792
26 HD13 LEU 4 3HD1 LEU 4 -5.818 -0.793 0.591
27 HD21 LEU 4 1HD2 LEU 4 -4.822 -0.455 3.180
28 HD22 LEU 4 2HD2 LEU 4 -3.769 -1.860 3.141
29 HD23 LEU 4 3HD2 LEU 4 -5.115 -1.807 4.270
30 H LEU 5 H LEU 5 -8.662 0.263 1.083
31 HA LEU 5 HA LEU 5 -6.618 1.811 -0.106
32 HB2 LEU 5 2HB LEU 5 -9.625 1.842 -0.468
33 HB3 LEU 5 1HB LEU 5 -8.506 2.750 -1.480
34 HG LEU 5 HG LEU 5 -8.342 -0.251 -1.068
35 HD11 LEU 5 1HD1 LEU 5 -9.226 -0.242 -3.498
36 HD12 LEU 5 2HD1 LEU 5 -9.769 1.399 -3.153
37 HD13 LEU 5 3HD1 LEU 5 -10.392 0.048 -2.206
38 HD21 LEU 5 1HD2 LEU 5 -6.247 0.339 -1.869
39 HD22 LEU 5 2HD2 LEU 5 -6.845 1.772 -2.697
40 HD23 LEU 5 3HD2 LEU 5 -7.098 0.177 -3.405
41 H ARG 6 H ARG 6 -9.397 2.707 1.948
42 HA ARG 6 HA ARG 6 -9.041 5.496 1.850
43 HB2 ARG 6 2HB ARG 6 -11.061 4.355 2.739
44 HB3 ARG 6 1HB ARG 6 -10.128 3.835 4.139
45 HG2 ARG 6 2HG ARG 6 -10.016 6.758 3.547
46 HG3 ARG 6 1HG ARG 6 -11.592 6.152 4.049
47 HD2 ARG 6 2HD ARG 6 -10.572 5.154 6.058
48 HD3 ARG 6 1HD ARG 6 -8.995 5.754 5.561
49 HE ARG 6 HE ARG 6 -10.963 7.847 5.755
50 HH11 ARG 6 1HH1 ARG 6 -10.651 9.328 7.464
51 HH12 ARG 6 2HH1 ARG 6 -9.583 8.921 8.767
52 HH21 ARG 6 1HH2 ARG 6 -8.762 5.814 7.475
53 HH22 ARG 6 2HH2 ARG 6 -8.518 6.938 8.769
54 H PHE 7 H PHE 7 -7.733 3.057 4.092
55 HA PHE 7 HA PHE 7 -6.418 4.803 5.839
56 HB2 PHE 7 2HB PHE 7 -6.789 2.403 6.289
57 HB3 PHE 7 1HB PHE 7 -5.640 1.993 5.015
58 HD1 PHE 7 1HD PHE 7 -3.286 2.092 5.389
59 HD2 PHE 7 2HD PHE 7 -6.007 3.677 8.309
60 HE1 PHE 7 1HE PHE 7 -1.421 2.301 7.006
61 HE2 PHE 7 2HE PHE 7 -4.141 3.889 9.931
62 HZ PHE 7 HZ PHE 7 -1.849 3.202 9.280
63 H LEU 8 H LEU 8 -5.259 3.182 2.880
64 HA LEU 8 HA LEU 8 -2.606 4.159 3.061
65 HB2 LEU 8 2HB LEU 8 -4.294 3.126 0.806
66 HB3 LEU 8 1HB LEU 8 -2.701 3.807 0.479
67 HG LEU 8 HG LEU 8 -3.011 1.740 2.652
68 HD11 LEU 8 1HD1 LEU 8 -2.546 -0.010 0.941
69 HD12 LEU 8 2HD1 LEU 8 -2.776 1.202 -0.320
70 HD13 LEU 8 3HD1 LEU 8 -4.124 0.749 0.723
71 HD21 LEU 8 1HD2 LEU 8 -0.865 3.133 1.999
72 HD22 LEU 8 2HD2 LEU 8 -0.753 1.969 0.677
73 HD23 LEU 8 3HD2 LEU 8 -0.717 1.410 2.348
74 H LEU 9 H LEU 9 -5.515 5.461 1.485
75 HA LEU 9 HA LEU 9 -4.272 7.669 0.247
76 HB2 LEU 9 2HB LEU 9 -6.671 6.649 0.007
77 HB3 LEU 9 1HB LEU 9 -7.083 7.794 1.282
78 HG LEU 9 HG LEU 9 -5.733 8.524 -1.336
79 HD11 LEU 9 1HD1 LEU 9 -7.943 7.876 -1.893
80 HD12 LEU 9 2HD1 LEU 9 -8.031 9.629 -1.713
81 HD13 LEU 9 3HD1 LEU 9 -8.606 8.580 -0.417
82 HD21 LEU 9 1HD2 LEU 9 -6.539 10.037 1.119
83 HD22 LEU 9 2HD2 LEU 9 -6.734 10.839 -0.440
84 HD23 LEU 9 3HD2 LEU 9 -5.144 10.272 0.068
85 H SER 10 H SER 10 -5.807 7.327 3.448
86 HA SER 10 HA SER 10 -5.556 10.015 4.232
87 HB2 SER 10 2HB SER 10 -5.752 9.143 6.535
88 HB3 SER 10 1HB SER 10 -6.945 8.426 5.454
89 HG SER 10 HG SER 10 -4.565 7.320 6.504
90 H LYS 11 H LYS 11 -3.280 7.277 4.544
91 HA LYS 11 HA LYS 11 -1.357 8.790 6.042
92 HB2 LYS 11 2HB LYS 11 -1.041 6.251 4.432
93 HB3 LYS 11 1HB LYS 11 0.221 6.945 5.445
94 HG2 LYS 11 2HG LYS 11 -2.519 6.130 6.456
95 HG3 LYS 11 1HG LYS 11 -1.076 5.129 6.579
96 HD2 LYS 11 2HD LYS 11 -0.023 7.228 7.743
97 HD3 LYS 11 1HD LYS 11 -1.700 7.714 7.992
98 HE2 LYS 11 2HE LYS 11 -2.182 5.573 9.097
99 HE3 LYS 11 1HE LYS 11 -0.507 5.071 8.858
100 HZ1 LYS 11 1HZ LYS 11 -0.330 5.958 10.921
101 HZ2 LYS 11 2HZ LYS 11 -1.615 7.047 10.700
102 HZ3 LYS 11 3HZ LYS 11 -0.089 7.383 10.032
103 H GLY 12 H GLY 12 -1.695 8.066 2.584
104 HA2 GLY 12 2HA GLY 12 -0.245 10.432 1.875
105 HA3 GLY 12 1HA GLY 12 0.702 8.974 1.608
106 H ARG 13 H ARG 13 -0.002 10.657 -0.489
107 HA ARG 13 HA ARG 13 -2.292 9.491 -1.872
108 HB2 ARG 13 2HB ARG 13 -1.247 12.005 -1.879
109 HB3 ARG 13 1HB ARG 13 -0.457 11.355 -3.310
110 HG2 ARG 13 2HG ARG 13 -3.453 11.211 -2.827
111 HG3 ARG 13 1HG ARG 13 -2.671 12.480 -3.768
112 HD2 ARG 13 2HD ARG 13 -1.670 10.666 -5.210
113 HD3 ARG 13 1HD ARG 13 -2.692 9.516 -4.360
114 HE ARG 13 HE ARG 13 -4.172 11.725 -5.474
115 HH11 ARG 13 1HH1 ARG 13 -5.538 11.186 -7.237
116 HH12 ARG 13 2HH1 ARG 13 -5.344 9.655 -8.023
117 HH21 ARG 13 1HH2 ARG 13 -2.705 8.653 -6.021
118 HH22 ARG 13 2HH2 ARG 13 -3.740 8.222 -7.340
119 H ALA 14 H ALA 14 1.228 9.500 -1.993
120 HA ALA 14 HA ALA 14 1.563 8.188 -4.464
121 HB1 ALA 14 1HB ALA 14 3.769 7.411 -3.275
122 HB2 ALA 14 2HB ALA 14 3.237 8.504 -1.997
123 HB3 ALA 14 3HB ALA 14 3.523 9.120 -3.624
124 H LEU 15 H LEU 15 1.206 6.921 -1.163
125 HA LEU 15 HA LEU 15 1.643 4.198 -1.738
126 HB2 LEU 15 2HB LEU 15 -0.279 5.284 0.325
127 HB3 LEU 15 1HB LEU 15 0.608 3.767 0.373
128 HG LEU 15 HG LEU 15 1.985 6.458 0.329
129 HD11 LEU 15 1HD1 LEU 15 0.970 4.802 2.635
130 HD12 LEU 15 2HD1 LEU 15 0.715 6.518 2.324
131 HD13 LEU 15 3HD1 LEU 15 2.302 5.939 2.828
132 HD21 LEU 15 1HD2 LEU 15 3.765 4.945 1.468
133 HD22 LEU 15 2HD2 LEU 15 3.542 4.783 -0.273
134 HD23 LEU 15 3HD2 LEU 15 2.832 3.600 0.826
135 H TYR 16 H TYR 16 -1.298 6.162 -1.728
136 HA TYR 16 HA TYR 16 -3.160 4.112 -2.275
137 HB2 TYR 16 2HB TYR 16 -3.897 6.245 -1.472
138 HB3 TYR 16 1HB TYR 16 -3.213 7.073 -2.866
139 HD1 TYR 16 1HD TYR 16 -4.643 7.579 -4.631
140 HD2 TYR 16 2HD TYR 16 -5.569 4.271 -2.053
141 HE1 TYR 16 1HE TYR 16 -6.776 7.244 -5.834
142 HE2 TYR 16 2HE TYR 16 -7.706 3.929 -3.264
143 HH TYR 16 HH TYR 16 -8.483 5.748 -6.174
144 H ASN 17 H ASN 17 -1.374 6.294 -4.427
145 HA ASN 17 HA ASN 17 -2.509 5.419 -6.844
146 HB2 ASN 17 2HB ASN 17 -1.179 7.466 -6.700
147 HB3 ASN 17 1HB ASN 17 0.257 6.523 -6.302
148 HD21 ASN 17 1HD2 ASN 17 0.152 8.215 -8.635
149 HD22 ASN 17 2HD2 ASN 17 0.207 7.215 -10.006
150 H TRP 18 H TRP 18 0.361 4.316 -5.057
151 HA TRP 18 HA TRP 18 1.279 2.408 -6.892
152 HB2 TRP 18 2HB TRP 18 2.679 3.029 -5.038
153 HB3 TRP 18 1HB TRP 18 1.460 2.518 -3.870
154 HD1 TRP 18 HD TRP 18 1.355 0.030 -3.227
155 HE1 TRP 18 1HE TRP 18 2.756 -2.043 -3.840
156 HE3 TRP 18 3HE TRP 18 4.089 1.928 -7.099
157 HZ2 TRP 18 2HZ TRP 18 4.768 -2.798 -5.723
158 HZ3 TRP 18 3HZ TRP 18 5.736 0.508 -8.284
159 HH2 TRP 18 HH TRP 18 6.085 -1.852 -7.603
160 H ALA 19 H ALA 19 -1.015 2.052 -4.182
161 HA ALA 19 HA ALA 19 -1.443 -0.716 -4.453
162 HB1 ALA 19 1HB ALA 19 -3.147 1.506 -3.321
163 HB2 ALA 19 2HB ALA 19 -2.193 0.307 -2.448
164 HB3 ALA 19 3HB ALA 19 -3.659 -0.181 -3.294
165 H LYS 20 H LYS 20 -3.118 2.055 -5.904
166 HA LYS 20 HA LYS 20 -5.151 0.590 -7.205
167 HB2 LYS 20 2HB LYS 20 -5.183 3.045 -6.840
168 HB3 LYS 20 1HB LYS 20 -3.901 3.218 -8.043
169 HG2 LYS 20 2HG LYS 20 -5.344 2.157 -9.737
170 HG3 LYS 20 1HG LYS 20 -6.626 1.980 -8.542
171 HD2 LYS 20 2HD LYS 20 -6.708 4.444 -8.280
172 HD3 LYS 20 1HD LYS 20 -5.452 4.608 -9.510
173 HE2 LYS 20 2HE LYS 20 -6.909 3.491 -11.156
174 HE3 LYS 20 1HE LYS 20 -8.166 3.321 -9.932
175 HZ1 LYS 20 1HZ LYS 20 -7.195 6.002 -10.155
176 HZ2 LYS 20 2HZ LYS 20 -8.791 5.421 -10.202
177 HZ3 LYS 20 3HZ LYS 20 -7.848 5.437 -11.615
178 H SER 21 H SER 21 -1.949 1.672 -8.294
179 HA SER 21 HA SER 21 -2.135 0.812 -10.961
180 HB2 SER 21 2HB SER 21 -0.368 2.276 -10.466
181 HB3 SER 21 1HB SER 21 0.164 1.307 -9.095
182 HG SER 21 HG SER 21 1.500 0.541 -10.544
183 H HIS 22 H HIS 22 -0.986 -0.871 -8.040
184 HA HIS 22 HA HIS 22 -1.051 -3.408 -9.575
185 HB2 HIS 22 2HB HIS 22 0.919 -2.562 -7.440
186 HB3 HIS 22 1HB HIS 22 0.816 -4.177 -8.144
187 HD1 HIS 22 1HD HIS 22 1.153 -4.262 -10.842
188 HD2 HIS 22 2HD HIS 22 2.456 -0.795 -8.928
189 HE1 HIS 22 1HE HIS 22 2.726 -3.100 -12.455
190 HE2 HIS 22 2HE HIS 22 3.523 -0.981 -11.302
191 H VAL 23 H VAL 23 -3.118 -3.886 -8.858
192 HA VAL 23 HA VAL 23 -3.882 -3.820 -6.123
193 HB VAL 23 HB VAL 23 -5.802 -5.206 -6.866
194 HG11 VAL 23 1HG1 VAL 23 -6.614 -3.571 -8.637
195 HG12 VAL 23 2HG1 VAL 23 -5.012 -2.837 -8.567
196 HG13 VAL 23 3HG1 VAL 23 -6.043 -2.834 -7.138
197 HG21 VAL 23 1HG2 VAL 23 -4.249 -5.222 -9.470
198 HG22 VAL 23 2HG2 VAL 23 -5.938 -5.707 -9.327
199 HG23 VAL 23 3HG2 VAL 23 -4.683 -6.623 -8.491
200 H GLY 24 H GLY 24 -2.108 -6.015 -8.090
201 HA2 GLY 24 2HA GLY 24 -2.538 -8.415 -6.669
202 HA3 GLY 24 1HA GLY 24 -1.124 -8.052 -7.660
203 H LYS 25 H LYS 25 -0.256 -5.730 -6.175
204 HA LYS 25 HA LYS 25 1.296 -6.983 -4.158
205 HB2 LYS 25 2HB LYS 25 0.718 -4.038 -4.593
206 HB3 LYS 25 1HB LYS 25 2.001 -4.680 -3.574
207 HG2 LYS 25 2HG LYS 25 1.800 -5.411 -6.497
208 HG3 LYS 25 1HG LYS 25 2.634 -3.952 -5.980
209 HD2 LYS 25 2HD LYS 25 4.131 -5.340 -4.553
210 HD3 LYS 25 1HD LYS 25 3.319 -6.791 -5.130
211 HE2 LYS 25 2HE LYS 25 3.978 -6.285 -7.430
212 HE3 LYS 25 1HE LYS 25 4.750 -4.794 -6.893
213 HZ1 LYS 25 1HZ LYS 25 6.216 -6.132 -5.487
214 HZ2 LYS 25 2HZ LYS 25 6.379 -6.536 -7.130
215 HZ3 LYS 25 3HZ LYS 25 5.501 -7.549 -6.085
216 H VAL 26 H VAL 26 -1.638 -5.075 -4.088
217 HA VAL 26 HA VAL 26 -1.924 -4.777 -1.308
218 HB VAL 26 HB VAL 26 -3.930 -4.859 -3.562
219 HG11 VAL 26 1HG1 VAL 26 -4.300 -4.270 -0.608
220 HG12 VAL 26 2HG1 VAL 26 -5.145 -5.480 -1.576
221 HG13 VAL 26 3HG1 VAL 26 -5.449 -3.764 -1.848
222 HG21 VAL 26 1HG2 VAL 26 -2.159 -3.002 -3.303
223 HG22 VAL 26 2HG2 VAL 26 -3.048 -2.522 -1.859
224 HG23 VAL 26 3HG2 VAL 26 -3.841 -2.487 -3.435
225 H TRP 27 H TRP 27 -3.133 -7.201 -3.556
226 HA TRP 27 HA TRP 27 -4.533 -8.789 -1.688
227 HB2 TRP 27 2HB TRP 27 -3.303 -9.384 -4.375
228 HB3 TRP 27 1HB TRP 27 -4.166 -10.614 -3.458
229 HD1 TRP 27 HD TRP 27 -4.782 -8.148 -6.036
230 HE1 TRP 27 1HE TRP 27 -7.277 -7.508 -6.180
231 HE3 TRP 27 3HE TRP 27 -6.464 -10.091 -1.614
232 HZ2 TRP 27 2HZ TRP 27 -9.664 -7.782 -4.640
233 HZ3 TRP 27 3HZ TRP 27 -8.851 -9.888 -0.983
234 HH2 TRP 27 HH TRP 27 -10.453 -8.739 -2.490
235 H GLU 28 H GLU 28 -1.194 -8.967 -2.907
236 HA GLU 28 HA GLU 28 -0.397 -11.310 -1.652
237 HB2 GLU 28 2HB GLU 28 1.126 -8.815 -2.388
238 HB3 GLU 28 1HB GLU 28 1.918 -10.224 -1.686
239 HG2 GLU 28 2HG GLU 28 0.233 -10.280 -4.202
240 HG3 GLU 28 1HG GLU 28 1.992 -10.204 -4.175
241 H TRP 29 H TRP 29 -0.250 -7.928 -0.390
242 HA TRP 29 HA TRP 29 0.978 -8.754 2.056
243 HB2 TRP 29 2HB TRP 29 -0.749 -6.321 1.978
244 HB3 TRP 29 1HB TRP 29 0.753 -6.596 2.833
245 HD1 TRP 29 HD TRP 29 -0.386 -4.509 0.323
246 HE1 TRP 29 1HE TRP 29 1.389 -3.929 -1.451
247 HE3 TRP 29 3HE TRP 29 3.031 -8.169 1.288
248 HZ2 TRP 29 2HZ TRP 29 3.933 -4.887 -2.323
249 HZ3 TRP 29 3HZ TRP 29 5.114 -8.292 -0.010
250 HH2 TRP 29 HH TRP 29 5.570 -6.677 -1.822
251 H LEU 30 H LEU 30 -2.398 -8.319 1.090
252 HA LEU 30 HA LEU 30 -3.470 -8.626 3.693
253 HB2 LEU 30 2HB LEU 30 -4.614 -8.981 0.934
254 HB3 LEU 30 1HB LEU 30 -5.563 -9.410 2.361
255 HG LEU 30 HG LEU 30 -4.229 -6.711 1.976
256 HD11 LEU 30 1HD1 LEU 30 -5.904 -6.753 0.300
257 HD12 LEU 30 2HD1 LEU 30 -6.680 -5.963 1.672
258 HD13 LEU 30 3HD1 LEU 30 -7.026 -7.655 1.320
259 HD21 LEU 30 1HD2 LEU 30 -4.609 -6.727 4.236
260 HD22 LEU 30 2HD2 LEU 30 -5.827 -7.996 4.141
261 HD23 LEU 30 3HD2 LEU 30 -6.256 -6.327 3.767
262 H LYS 31 H LYS 31 -2.716 -11.005 1.183
263 HA LYS 31 HA LYS 31 -3.748 -13.260 2.541
264 HB2 LYS 31 2HB LYS 31 -3.102 -13.244 0.131
265 HB3 LYS 31 1HB LYS 31 -1.408 -13.159 0.618
266 HG2 LYS 31 2HG LYS 31 -1.624 -15.291 1.815
267 HG3 LYS 31 1HG LYS 31 -3.334 -15.372 1.389
268 HD2 LYS 31 2HD LYS 31 -2.735 -15.412 -1.008
269 HD3 LYS 31 1HD LYS 31 -1.024 -15.354 -0.577
270 HE2 LYS 31 2HE LYS 31 -1.704 -17.672 -1.012
271 HE3 LYS 31 1HE LYS 31 -1.292 -17.467 0.690
272 HZ1 LYS 31 1HZ LYS 31 -3.498 -17.494 1.321
273 HZ2 LYS 31 2HZ LYS 31 -3.461 -18.668 0.092
274 HZ3 LYS 31 3HZ LYS 31 -4.067 -17.113 -0.230
275 H SER 32 H SER 32 -0.538 -11.753 2.487
276 HA SER 32 HA SER 32 0.776 -13.628 4.137
277 HB2 SER 32 2HB SER 32 1.331 -10.684 3.724
278 HB3 SER 32 1HB SER 32 2.433 -11.826 4.492
279 HG SER 32 HG SER 32 2.974 -11.712 2.338
280 H GLY 33 H GLY 33 -1.088 -10.730 4.846
281 HA2 GLY 33 2HA GLY 33 -2.341 -10.377 6.816
282 HA3 GLY 33 1HA GLY 33 -1.383 -11.616 7.625
283 H ALA 34 H ALA 34 0.111 -9.113 5.716
284 HA ALA 34 HA ALA 34 1.740 -8.261 7.913
285 HB1 ALA 34 1HB ALA 34 2.877 -8.080 5.915
286 HB2 ALA 34 2HB ALA 34 2.318 -6.416 6.094
287 HB3 ALA 34 3HB ALA 34 1.457 -7.530 5.031
288 H THR 35 H THR 35 2.004 -5.851 8.342
289 HA THR 35 HA THR 35 -0.589 -4.777 9.110
290 HB THR 35 HB THR 35 0.904 -3.013 10.221
291 HG1 THR 35 1HG THR 35 2.742 -3.555 8.883
292 HG21 THR 35 1HG2 THR 35 1.509 -4.603 12.030
293 HG22 THR 35 2HG2 THR 35 1.161 -5.942 10.934
294 HG23 THR 35 3HG2 THR 35 -0.133 -4.854 11.438
295 H TYR 36 H TYR 36 -1.351 -2.724 8.568
296 HA TYR 36 HA TYR 36 -1.022 -1.904 5.903
297 HB2 TYR 36 2HB TYR 36 -2.029 -0.229 8.212
298 HB3 TYR 36 1HB TYR 36 -2.396 0.001 6.502
299 HD1 TYR 36 1HD TYR 36 -3.185 -2.395 5.348
300 HD2 TYR 36 2HD TYR 36 -3.740 -1.223 9.445
301 HE1 TYR 36 1HE TYR 36 -5.076 -3.992 5.554
302 HE2 TYR 36 2HE TYR 36 -5.625 -2.819 9.647
303 HH TYR 36 HH TYR 36 -7.043 -4.148 8.492
304 H GLU 37 H GLU 37 0.396 -0.694 8.901
305 HA GLU 37 HA GLU 37 1.745 1.526 7.811
306 HB2 GLU 37 2HB GLU 37 1.363 1.164 10.248
307 HB3 GLU 37 1HB GLU 37 2.563 -0.127 10.206
308 HG2 GLU 37 2HG GLU 37 4.289 1.447 9.489
309 HG3 GLU 37 1HG GLU 37 3.110 2.753 9.417
310 H GLN 38 H GLN 38 2.919 -1.753 8.531
311 HA GLN 38 HA GLN 38 5.544 -1.349 7.645
312 HB2 GLN 38 2HB GLN 38 4.818 -3.294 8.934
313 HB3 GLN 38 1HB GLN 38 3.906 -3.884 7.548
314 HG2 GLN 38 2HG GLN 38 6.002 -3.978 6.237
315 HG3 GLN 38 1HG GLN 38 6.902 -3.433 7.650
316 HE21 GLN 38 1HE2 GLN 38 8.014 -5.263 8.391
317 HE22 GLN 38 2HE2 GLN 38 7.294 -6.776 8.657
318 H ILE 39 H ILE 39 2.637 -2.326 5.874
319 HA ILE 39 HA ILE 39 3.922 -2.934 3.455
320 HB ILE 39 HB ILE 39 1.077 -2.096 4.057
321 HG12 ILE 39 2HG1 ILE 39 2.124 -4.841 3.359
322 HG13 ILE 39 1HG1 ILE 39 2.176 -4.263 5.019
323 HG21 ILE 39 1HG2 ILE 39 1.672 -1.736 1.651
324 HG22 ILE 39 2HG2 ILE 39 0.558 -3.088 1.855
325 HG23 ILE 39 3HG2 ILE 39 2.273 -3.401 1.578
326 HD11 ILE 39 1HD1 ILE 39 0.098 -5.481 4.701
327 HD12 ILE 39 2HD1 ILE 39 -0.281 -4.516 3.274
328 HD13 ILE 39 3HD1 ILE 39 -0.276 -3.773 4.862
329 H LYS 40 H LYS 40 2.436 0.206 4.600
330 HA LYS 40 HA LYS 40 3.068 1.430 2.077
331 HB2 LYS 40 2HB LYS 40 2.965 3.652 3.177
332 HB3 LYS 40 1HB LYS 40 1.480 2.676 3.387
333 HG2 LYS 40 2HG LYS 40 2.116 2.086 5.638
334 HG3 LYS 40 1HG LYS 40 3.706 2.828 5.436
335 HD2 LYS 40 2HD LYS 40 2.576 5.015 5.015
336 HD3 LYS 40 1HD LYS 40 1.032 4.252 5.380
337 HE2 LYS 40 2HE LYS 40 1.730 3.787 7.648
338 HE3 LYS 40 1HE LYS 40 3.369 4.346 7.305
339 HZ1 LYS 40 1HZ LYS 40 1.539 5.905 8.363
340 HZ2 LYS 40 2HZ LYS 40 1.168 6.172 6.726
341 HZ3 LYS 40 3HZ LYS 40 2.729 6.501 7.314
342 H GLU 41 H GLU 41 4.823 0.926 5.086
343 HA GLU 41 HA GLU 41 6.933 2.676 4.688
344 HB2 GLU 41 2HB GLU 41 6.593 1.354 6.741
345 HB3 GLU 41 1HB GLU 41 7.099 -0.093 5.867
346 HG2 GLU 41 2HG GLU 41 9.277 0.928 5.396
347 HG3 GLU 41 1HG GLU 41 8.777 2.406 6.218
348 H TRP 42 H TRP 42 6.608 -0.719 3.629
349 HA TRP 42 HA TRP 42 9.074 -0.857 2.265
350 HB2 TRP 42 2HB TRP 42 6.459 -2.263 1.673
351 HB3 TRP 42 1HB TRP 42 8.000 -2.685 0.946
352 HD1 TRP 42 HD TRP 42 9.730 -2.428 3.745
353 HE1 TRP 42 1HE TRP 42 9.485 -4.353 5.435
354 HE3 TRP 42 3HE TRP 42 5.280 -4.403 2.194
355 HZ2 TRP 42 2HZ TRP 42 7.647 -6.463 6.050
356 HZ3 TRP 42 3HZ TRP 42 4.285 -6.359 3.350
357 HH2 TRP 42 HH TRP 42 5.477 -7.395 5.276
358 H ILE 43 H ILE 43 5.843 0.097 1.211
359 HA ILE 43 HA ILE 43 6.450 0.406 -1.521
360 HB ILE 43 HB ILE 43 4.362 1.711 0.216
361 HG12 ILE 43 2HG1 ILE 43 4.121 -0.483 -1.867
362 HG13 ILE 43 1HG1 ILE 43 4.315 -0.793 -0.141
363 HG21 ILE 43 1HG2 ILE 43 4.609 3.186 -1.636
364 HG22 ILE 43 2HG2 ILE 43 3.245 2.145 -2.048
365 HG23 ILE 43 3HG2 ILE 43 4.830 1.851 -2.766
366 HD11 ILE 43 1HD1 ILE 43 2.227 0.121 0.396
367 HD12 ILE 43 2HD1 ILE 43 1.903 -0.697 -1.132
368 HD13 ILE 43 3HD1 ILE 43 2.141 1.051 -1.098
369 H GLU 44 H GLU 44 6.498 2.841 1.089
370 HA GLU 44 HA GLU 44 7.222 4.910 -0.683
371 HB2 GLU 44 2HB GLU 44 7.445 6.324 1.244
372 HB3 GLU 44 1HB GLU 44 6.011 5.305 1.443
373 HG2 GLU 44 2HG GLU 44 6.796 4.518 3.395
374 HG3 GLU 44 1HG GLU 44 8.260 3.940 2.614
375 H ASN 45 H ASN 45 9.146 2.639 1.274
376 HA ASN 45 HA ASN 45 11.638 3.930 0.924
377 HB2 ASN 45 2HB ASN 45 11.313 2.125 2.553
378 HB3 ASN 45 1HB ASN 45 10.984 0.992 1.243
379 HD21 ASN 45 1HD2 ASN 45 12.802 -0.327 1.054
380 HD22 ASN 45 2HD2 ASN 45 14.405 0.230 1.041
381 H ALA 46 H ALA 46 9.868 1.506 -1.027
382 HA ALA 46 HA ALA 46 11.901 1.124 -2.964
383 HB1 ALA 46 1HB ALA 46 9.907 -0.366 -2.653
384 HB2 ALA 46 2HB ALA 46 10.157 0.127 -4.326
385 HB3 ALA 46 3HB ALA 46 8.903 0.900 -3.357
386 H LEU 47 H LEU 47 9.145 3.349 -2.765
387 HA LEU 47 HA LEU 47 9.356 4.521 -5.295
388 HB2 LEU 47 2HB LEU 47 7.568 4.736 -3.388
389 HB3 LEU 47 1HB LEU 47 8.564 6.095 -2.866
390 HG LEU 47 HG LEU 47 7.455 5.767 -5.667
391 HD11 LEU 47 1HD1 LEU 47 6.503 7.493 -3.359
392 HD12 LEU 47 2HD1 LEU 47 5.657 6.096 -4.023
393 HD13 LEU 47 3HD1 LEU 47 5.865 7.546 -5.003
394 HD21 LEU 47 1HD2 LEU 47 8.006 8.387 -5.446
395 HD22 LEU 47 2HD2 LEU 47 9.229 7.228 -5.961
396 HD23 LEU 47 3HD2 LEU 47 9.192 7.785 -4.288
397 H GLY 48 H GLY 48 10.903 5.461 -2.185
398 HA2 GLY 48 2HA GLY 48 12.200 7.765 -3.167
399 HA3 GLY 48 1HA GLY 48 12.695 6.839 -1.752
400 H TRP 49 H TRP 49 13.191 4.362 -2.978
401 HA TRP 49 HA TRP 49 15.846 4.680 -3.899
402 HB2 TRP 49 2HB TRP 49 15.235 2.617 -2.845
403 HB3 TRP 49 1HB TRP 49 13.919 2.350 -3.988
404 HD1 TRP 49 HD TRP 49 14.466 0.943 -6.044
405 HE1 TRP 49 1HE TRP 49 16.624 0.067 -7.154
406 HE3 TRP 49 3HE TRP 49 17.954 3.345 -3.194
407 HZ2 TRP 49 2HZ TRP 49 19.455 0.355 -6.868
408 HZ3 TRP 49 3HZ TRP 49 20.372 3.025 -3.632
409 HH2 TRP 49 HH TRP 49 21.126 1.534 -5.465
410 H ARG 50 H ARG 50 12.779 4.128 -5.586
411 HA ARG 50 HA ARG 50 14.106 4.133 -8.189
412 HB2 ARG 50 2HB ARG 50 12.172 2.593 -7.584
413 HB3 ARG 50 1HB ARG 50 11.136 4.020 -7.649
414 HG2 ARG 50 2HG ARG 50 11.850 4.436 -9.975
415 HG3 ARG 50 1HG ARG 50 12.887 3.011 -9.911
416 HD2 ARG 50 2HD ARG 50 10.799 2.406 -10.998
417 HD3 ARG 50 1HD ARG 50 10.873 1.618 -9.424
418 HE ARG 50 HE ARG 50 9.557 4.122 -9.188
419 HH11 ARG 50 1HH1 ARG 50 7.300 4.125 -8.991
420 HH12 ARG 50 2HH1 ARG 50 6.390 2.733 -9.476
421 HH21 ARG 50 1HH2 ARG 50 9.187 0.916 -10.432
422 HH22 ARG 50 2HH2 ARG 50 7.461 0.913 -10.293
Start of MODEL 4
1 H FME 1 H FME 1 -12.040 -4.837 1.372
2 HCN FME 1 HF FME 1 -12.184 -3.963 3.533
3 HA FME 1 HA FME 1 -9.590 -3.788 0.763
4 HB2 FME 1 1HB FME 1 -11.891 -3.583 -1.180
5 HB3 FME 1 2HB FME 1 -11.192 -5.140 -0.724
6 HG2 FME 1 1HG FME 1 -8.963 -4.338 -1.453
7 HG3 FME 1 2HG FME 1 -9.682 -2.804 -1.938
8 HE1 FME 1 1HE FME 1 -8.297 -3.452 -4.054
9 HE2 FME 1 2HE FME 1 -8.782 -4.639 -5.263
10 HE3 FME 1 3HE FME 1 -8.017 -5.176 -3.768
11 H ALA 2 H ALA 2 -12.692 -2.083 0.819
12 HA ALA 2 HA ALA 2 -11.761 0.385 -0.203
13 HB1 ALA 2 1HB ALA 2 -14.029 -0.001 1.760
14 HB2 ALA 2 2HB ALA 2 -14.176 -0.339 0.037
15 HB3 ALA 2 3HB ALA 2 -13.834 1.303 0.582
16 H GLY 3 H GLY 3 -11.928 -0.970 3.060
17 HA2 GLY 3 2HA GLY 3 -11.255 1.363 4.485
18 HA3 GLY 3 1HA GLY 3 -10.971 -0.283 5.037
19 H LEU 4 H LEU 4 -9.225 -1.194 3.111
20 HA LEU 4 HA LEU 4 -6.734 -0.282 4.041
21 HB2 LEU 4 2HB LEU 4 -7.127 -2.512 3.040
22 HB3 LEU 4 1HB LEU 4 -7.390 -1.744 1.474
23 HG LEU 4 HG LEU 4 -4.964 -0.693 1.990
24 HD11 LEU 4 1HD1 LEU 4 -4.797 -3.356 3.375
25 HD12 LEU 4 2HD1 LEU 4 -4.974 -1.831 4.247
26 HD13 LEU 4 3HD1 LEU 4 -3.553 -2.116 3.232
27 HD21 LEU 4 1HD2 LEU 4 -5.528 -2.073 0.049
28 HD22 LEU 4 2HD2 LEU 4 -5.437 -3.521 1.046
29 HD23 LEU 4 3HD2 LEU 4 -3.984 -2.571 0.739
30 H LEU 5 H LEU 5 -8.534 0.425 1.056
31 HA LEU 5 HA LEU 5 -6.569 2.035 -0.171
32 HB2 LEU 5 2HB LEU 5 -9.589 2.056 -0.420
33 HB3 LEU 5 1HB LEU 5 -8.507 2.967 -1.472
34 HG LEU 5 HG LEU 5 -8.410 -0.031 -1.074
35 HD11 LEU 5 1HD1 LEU 5 -10.456 0.719 -2.246
36 HD12 LEU 5 2HD1 LEU 5 -9.376 -0.172 -3.315
37 HD13 LEU 5 3HD1 LEU 5 -9.457 1.588 -3.412
38 HD21 LEU 5 1HD2 LEU 5 -7.067 0.386 -3.362
39 HD22 LEU 5 2HD2 LEU 5 -6.268 0.460 -1.796
40 HD23 LEU 5 3HD2 LEU 5 -6.760 1.949 -2.600
41 H ARG 6 H ARG 6 -9.298 2.861 1.975
42 HA ARG 6 HA ARG 6 -8.959 5.655 1.899
43 HB2 ARG 6 2HB ARG 6 -10.953 4.509 2.831
44 HB3 ARG 6 1HB ARG 6 -9.985 3.959 4.196
45 HG2 ARG 6 2HG ARG 6 -9.874 6.894 3.653
46 HG3 ARG 6 1HG ARG 6 -11.434 6.288 4.194
47 HD2 ARG 6 2HD ARG 6 -10.360 5.235 6.145
48 HD3 ARG 6 1HD ARG 6 -8.792 5.844 5.609
49 HE ARG 6 HE ARG 6 -10.719 7.952 5.884
50 HH11 ARG 6 1HH1 ARG 6 -10.415 9.387 7.627
51 HH12 ARG 6 2HH1 ARG 6 -9.373 8.942 8.938
52 HH21 ARG 6 1HH2 ARG 6 -8.567 5.838 7.597
53 HH22 ARG 6 2HH2 ARG 6 -8.330 6.928 8.922
54 H PHE 7 H PHE 7 -7.585 3.206 4.037
55 HA PHE 7 HA PHE 7 -6.221 4.917 5.793
56 HB2 PHE 7 2HB PHE 7 -6.640 2.488 6.150
57 HB3 PHE 7 1HB PHE 7 -5.426 2.129 4.921
58 HD1 PHE 7 1HD PHE 7 -3.142 2.087 5.454
59 HD2 PHE 7 2HD PHE 7 -5.927 3.881 8.186
60 HE1 PHE 7 1HE PHE 7 -1.344 2.286 7.151
61 HE2 PHE 7 2HE PHE 7 -4.128 4.081 9.887
62 HZ PHE 7 HZ PHE 7 -1.839 3.278 9.370
63 H LEU 8 H LEU 8 -5.130 3.341 2.802
64 HA LEU 8 HA LEU 8 -2.480 4.278 2.886
65 HB2 LEU 8 2HB LEU 8 -4.265 3.399 0.610
66 HB3 LEU 8 1HB LEU 8 -2.577 3.843 0.371
67 HG LEU 8 HG LEU 8 -3.241 1.859 2.533
68 HD11 LEU 8 1HD1 LEU 8 -4.469 1.056 0.543
69 HD12 LEU 8 2HD1 LEU 8 -3.073 0.032 0.880
70 HD13 LEU 8 3HD1 LEU 8 -2.998 1.216 -0.420
71 HD21 LEU 8 1HD2 LEU 8 -0.916 2.827 2.057
72 HD22 LEU 8 2HD2 LEU 8 -0.963 1.928 0.542
73 HD23 LEU 8 3HD2 LEU 8 -1.025 1.069 2.083
74 H LEU 9 H LEU 9 -5.420 5.634 1.438
75 HA LEU 9 HA LEU 9 -4.242 7.840 0.154
76 HB2 LEU 9 2HB LEU 9 -6.689 6.857 0.073
77 HB3 LEU 9 1HB LEU 9 -6.986 7.987 1.382
78 HG LEU 9 HG LEU 9 -7.618 9.167 -0.555
79 HD11 LEU 9 1HD1 LEU 9 -6.107 10.997 -0.748
80 HD12 LEU 9 2HD1 LEU 9 -4.737 10.015 -0.250
81 HD13 LEU 9 3HD1 LEU 9 -5.999 10.420 0.913
82 HD21 LEU 9 1HD2 LEU 9 -5.042 8.346 -1.910
83 HD22 LEU 9 2HD2 LEU 9 -6.411 9.182 -2.633
84 HD23 LEU 9 3HD2 LEU 9 -6.576 7.506 -2.119
85 H SER 10 H SER 10 -5.632 7.503 3.412
86 HA SER 10 HA SER 10 -5.352 10.176 4.232
87 HB2 SER 10 2HB SER 10 -5.221 7.658 5.894
88 HB3 SER 10 1HB SER 10 -5.534 9.282 6.505
89 HG SER 10 HG SER 10 -7.506 8.360 6.158
90 H LYS 11 H LYS 11 -3.097 7.425 4.447
91 HA LYS 11 HA LYS 11 -1.142 8.902 5.938
92 HB2 LYS 11 2HB LYS 11 -0.872 6.383 4.289
93 HB3 LYS 11 1HB LYS 11 0.378 7.034 5.340
94 HG2 LYS 11 2HG LYS 11 -2.397 6.272 6.296
95 HG3 LYS 11 1HG LYS 11 -0.993 5.214 6.403
96 HD2 LYS 11 2HD LYS 11 0.135 7.213 7.641
97 HD3 LYS 11 1HD LYS 11 -1.512 7.796 7.866
98 HE2 LYS 11 2HE LYS 11 -2.153 5.727 8.966
99 HE3 LYS 11 1HE LYS 11 -0.555 5.043 8.669
100 HZ1 LYS 11 1HZ LYS 11 -0.010 5.908 10.630
101 HZ2 LYS 11 2HZ LYS 11 -1.410 6.869 10.705
102 HZ3 LYS 11 3HZ LYS 11 -0.037 7.426 9.872
103 H GLY 12 H GLY 12 -1.545 8.221 2.471
104 HA2 GLY 12 2HA GLY 12 -0.189 10.602 1.730
105 HA3 GLY 12 1HA GLY 12 0.864 9.210 1.508
106 H ARG 13 H ARG 13 0.179 10.715 -0.639
107 HA ARG 13 HA ARG 13 -2.076 9.473 -1.997
108 HB2 ARG 13 2HB ARG 13 -1.600 11.897 -2.272
109 HB3 ARG 13 1HB ARG 13 -0.067 11.481 -3.037
110 HG2 ARG 13 2HG ARG 13 -1.277 10.235 -4.795
111 HG3 ARG 13 1HG ARG 13 -2.812 10.661 -4.030
112 HD2 ARG 13 2HD ARG 13 -2.371 12.231 -5.845
113 HD3 ARG 13 1HD ARG 13 -2.252 13.066 -4.299
114 HE ARG 13 HE ARG 13 0.307 12.115 -5.067
115 HH11 ARG 13 1HH1 ARG 13 1.783 13.586 -5.940
116 HH12 ARG 13 2HH1 ARG 13 1.226 15.103 -6.563
117 HH21 ARG 13 1HH2 ARG 13 -2.105 14.474 -5.823
118 HH22 ARG 13 2HH2 ARG 13 -0.980 15.612 -6.484
119 H ALA 14 H ALA 14 1.424 9.373 -1.975
120 HA ALA 14 HA ALA 14 1.827 8.013 -4.405
121 HB1 ALA 14 1HB ALA 14 3.933 7.177 -3.101
122 HB2 ALA 14 2HB ALA 14 3.383 8.297 -1.858
123 HB3 ALA 14 3HB ALA 14 3.766 8.896 -3.474
124 H LEU 15 H LEU 15 1.314 6.821 -1.088
125 HA LEU 15 HA LEU 15 1.626 4.084 -1.602
126 HB2 LEU 15 2HB LEU 15 -0.328 5.325 0.341
127 HB3 LEU 15 1HB LEU 15 0.435 3.742 0.453
128 HG LEU 15 HG LEU 15 1.953 6.362 0.466
129 HD11 LEU 15 1HD1 LEU 15 0.862 4.624 2.674
130 HD12 LEU 15 2HD1 LEU 15 0.690 6.364 2.455
131 HD13 LEU 15 3HD1 LEU 15 2.245 5.687 2.941
132 HD21 LEU 15 1HD2 LEU 15 3.643 4.647 1.552
133 HD22 LEU 15 2HD2 LEU 15 3.495 4.740 -0.201
134 HD23 LEU 15 3HD2 LEU 15 2.686 3.449 0.686
135 H TYR 16 H TYR 16 -1.231 6.168 -1.721
136 HA TYR 16 HA TYR 16 -3.148 4.199 -2.325
137 HB2 TYR 16 2HB TYR 16 -3.794 6.414 -1.576
138 HB3 TYR 16 1HB TYR 16 -3.076 7.149 -3.002
139 HD1 TYR 16 1HD TYR 16 -4.415 7.537 -4.892
140 HD2 TYR 16 2HD TYR 16 -5.623 4.592 -2.012
141 HE1 TYR 16 1HE TYR 16 -6.561 7.253 -6.082
142 HE2 TYR 16 2HE TYR 16 -7.770 4.297 -3.217
143 HH TYR 16 HH TYR 16 -8.926 4.807 -5.085
144 H ASN 17 H ASN 17 -1.208 6.284 -4.470
145 HA ASN 17 HA ASN 17 -2.338 5.379 -6.890
146 HB2 ASN 17 2HB ASN 17 0.315 6.620 -6.187
147 HB3 ASN 17 1HB ASN 17 -0.060 6.122 -7.835
148 HD21 ASN 17 1HD2 ASN 17 -2.807 6.814 -7.948
149 HD22 ASN 17 2HD2 ASN 17 -2.958 8.498 -7.814
150 H TRP 18 H TRP 18 0.440 4.224 -4.992
151 HA TRP 18 HA TRP 18 1.356 2.305 -6.814
152 HB2 TRP 18 2HB TRP 18 2.737 2.905 -4.954
153 HB3 TRP 18 1HB TRP 18 1.496 2.412 -3.800
154 HD1 TRP 18 HD TRP 18 1.334 -0.081 -3.168
155 HE1 TRP 18 1HE TRP 18 2.695 -2.178 -3.773
156 HE3 TRP 18 3HE TRP 18 4.167 1.772 -7.005
157 HZ2 TRP 18 2HZ TRP 18 4.706 -2.972 -5.622
158 HZ3 TRP 18 3HZ TRP 18 5.801 0.312 -8.164
159 HH2 TRP 18 HH TRP 18 6.072 -2.055 -7.477
160 H ALA 19 H ALA 19 -0.998 2.022 -4.161
161 HA ALA 19 HA ALA 19 -1.467 -0.744 -4.419
162 HB1 ALA 19 1HB ALA 19 -2.238 0.414 -2.450
163 HB2 ALA 19 2HB ALA 19 -3.652 -0.224 -3.288
164 HB3 ALA 19 3HB ALA 19 -3.248 1.488 -3.417
165 H LYS 20 H LYS 20 -2.999 2.074 -5.960
166 HA LYS 20 HA LYS 20 -5.034 0.636 -7.314
167 HB2 LYS 20 2HB LYS 20 -5.037 3.102 -6.998
168 HB3 LYS 20 1HB LYS 20 -3.724 3.222 -8.170
169 HG2 LYS 20 2HG LYS 20 -5.158 2.134 -9.875
170 HG3 LYS 20 1HG LYS 20 -6.472 2.061 -8.702
171 HD2 LYS 20 2HD LYS 20 -5.134 4.675 -9.383
172 HD3 LYS 20 1HD LYS 20 -6.458 4.049 -10.361
173 HE2 LYS 20 2HE LYS 20 -7.790 3.847 -8.177
174 HE3 LYS 20 1HE LYS 20 -6.513 4.799 -7.426
175 HZ1 LYS 20 1HZ LYS 20 -8.356 5.601 -9.602
176 HZ2 LYS 20 2HZ LYS 20 -6.932 6.466 -9.263
177 HZ3 LYS 20 3HZ LYS 20 -8.145 6.324 -8.083
178 H SER 21 H SER 21 -1.776 1.629 -8.298
179 HA SER 21 HA SER 21 -1.894 0.716 -10.951
180 HB2 SER 21 2HB SER 21 0.575 0.760 -10.819
181 HB3 SER 21 1HB SER 21 -0.164 2.217 -10.164
182 HG SER 21 HG SER 21 1.418 1.416 -8.750
183 H HIS 22 H HIS 22 -0.886 -0.981 -7.961
184 HA HIS 22 HA HIS 22 -0.966 -3.517 -9.529
185 HB2 HIS 22 2HB HIS 22 1.039 -2.638 -7.442
186 HB3 HIS 22 1HB HIS 22 0.838 -4.318 -7.940
187 HD1 HIS 22 1HD HIS 22 1.743 -0.925 -9.361
188 HD2 HIS 22 2HD HIS 22 1.999 -4.953 -10.399
189 HE1 HIS 22 1HE HIS 22 3.201 -1.040 -11.430
190 HE2 HIS 22 2HE HIS 22 3.359 -3.489 -12.080
191 H VAL 23 H VAL 23 -3.092 -3.912 -8.866
192 HA VAL 23 HA VAL 23 -3.905 -3.882 -6.157
193 HB VAL 23 HB VAL 23 -5.829 -5.231 -6.944
194 HG11 VAL 23 1HG1 VAL 23 -6.618 -3.615 -8.688
195 HG12 VAL 23 2HG1 VAL 23 -4.984 -2.959 -8.769
196 HG13 VAL 23 3HG1 VAL 23 -5.919 -2.817 -7.279
197 HG21 VAL 23 1HG2 VAL 23 -4.738 -6.722 -8.510
198 HG22 VAL 23 2HG2 VAL 23 -4.181 -5.367 -9.488
199 HG23 VAL 23 3HG2 VAL 23 -5.898 -5.757 -9.424
200 H GLY 24 H GLY 24 -2.147 -6.106 -8.123
201 HA2 GLY 24 2HA GLY 24 -2.592 -8.500 -6.705
202 HA3 GLY 24 1HA GLY 24 -1.178 -8.147 -7.684
203 H LYS 25 H LYS 25 -0.221 -5.888 -6.241
204 HA LYS 25 HA LYS 25 1.297 -7.151 -4.222
205 HB2 LYS 25 2HB LYS 25 0.758 -4.214 -4.726
206 HB3 LYS 25 1HB LYS 25 1.981 -4.822 -3.615
207 HG2 LYS 25 2HG LYS 25 1.966 -5.710 -6.502
208 HG3 LYS 25 1HG LYS 25 2.708 -4.184 -6.042
209 HD2 LYS 25 2HD LYS 25 4.172 -5.364 -4.449
210 HD3 LYS 25 1HD LYS 25 3.442 -6.902 -4.905
211 HE2 LYS 25 2HE LYS 25 4.195 -6.581 -7.227
212 HE3 LYS 25 1HE LYS 25 4.914 -5.033 -6.782
213 HZ1 LYS 25 1HZ LYS 25 6.727 -6.140 -6.218
214 HZ2 LYS 25 2HZ LYS 25 5.970 -7.638 -6.478
215 HZ3 LYS 25 3HZ LYS 25 5.860 -6.880 -4.962
216 H VAL 26 H VAL 26 -1.603 -5.158 -4.115
217 HA VAL 26 HA VAL 26 -1.845 -4.870 -1.329
218 HB VAL 26 HB VAL 26 -3.906 -4.940 -3.528
219 HG11 VAL 26 1HG1 VAL 26 -4.150 -4.496 -0.564
220 HG12 VAL 26 2HG1 VAL 26 -5.210 -5.413 -1.633
221 HG13 VAL 26 3HG1 VAL 26 -5.232 -3.649 -1.669
222 HG21 VAL 26 1HG2 VAL 26 -2.928 -2.589 -1.907
223 HG22 VAL 26 2HG2 VAL 26 -3.782 -2.575 -3.451
224 HG23 VAL 26 3HG2 VAL 26 -2.101 -3.108 -3.375
225 H TRP 27 H TRP 27 -3.148 -7.265 -3.576
226 HA TRP 27 HA TRP 27 -4.552 -8.800 -1.657
227 HB2 TRP 27 2HB TRP 27 -3.426 -9.486 -4.369
228 HB3 TRP 27 1HB TRP 27 -4.286 -10.667 -3.382
229 HD1 TRP 27 HD TRP 27 -4.928 -8.166 -5.949
230 HE1 TRP 27 1HE TRP 27 -7.410 -7.474 -5.992
231 HE3 TRP 27 3HE TRP 27 -6.487 -10.135 -1.489
232 HZ2 TRP 27 2HZ TRP 27 -9.749 -7.735 -4.371
233 HZ3 TRP 27 3HZ TRP 27 -8.848 -9.891 -0.772
234 HH2 TRP 27 HH TRP 27 -10.475 -8.696 -2.205
235 H GLU 28 H GLU 28 -1.262 -9.060 -2.930
236 HA GLU 28 HA GLU 28 -0.518 -11.424 -1.670
237 HB2 GLU 28 2HB GLU 28 0.759 -10.258 -3.460
238 HB3 GLU 28 1HB GLU 28 1.267 -9.060 -2.268
239 HG2 GLU 28 2HG GLU 28 3.019 -10.715 -2.408
240 HG3 GLU 28 1HG GLU 28 2.189 -10.962 -0.877
241 H TRP 29 H TRP 29 -0.190 -8.025 -0.473
242 HA TRP 29 HA TRP 29 1.110 -8.801 1.947
243 HB2 TRP 29 2HB TRP 29 -0.670 -6.381 1.785
244 HB3 TRP 29 1HB TRP 29 0.757 -6.634 2.767
245 HD1 TRP 29 HD TRP 29 -0.185 -4.568 0.174
246 HE1 TRP 29 1HE TRP 29 1.684 -3.965 -1.480
247 HE3 TRP 29 3HE TRP 29 3.221 -8.178 1.345
248 HZ2 TRP 29 2HZ TRP 29 4.275 -4.863 -2.203
249 HZ3 TRP 29 3HZ TRP 29 5.385 -8.247 0.169
250 HH2 TRP 29 HH TRP 29 5.928 -6.610 -1.607
251 H LEU 30 H LEU 30 -2.308 -8.342 1.075
252 HA LEU 30 HA LEU 30 -3.309 -8.609 3.699
253 HB2 LEU 30 2HB LEU 30 -4.508 -9.058 0.978
254 HB3 LEU 30 1HB LEU 30 -5.425 -9.414 2.442
255 HG LEU 30 HG LEU 30 -4.067 -6.752 1.925
256 HD11 LEU 30 1HD1 LEU 30 -6.846 -7.704 1.248
257 HD12 LEU 30 2HD1 LEU 30 -5.720 -6.774 0.256
258 HD13 LEU 30 3HD1 LEU 30 -6.536 -6.008 1.613
259 HD21 LEU 30 1HD2 LEU 30 -4.454 -6.707 4.195
260 HD22 LEU 30 2HD2 LEU 30 -5.743 -7.898 4.116
261 HD23 LEU 30 3HD2 LEU 30 -6.066 -6.225 3.681
262 H LYS 31 H LYS 31 -2.688 -11.055 1.183
263 HA LYS 31 HA LYS 31 -3.723 -13.238 2.640
264 HB2 LYS 31 2HB LYS 31 -1.592 -13.111 0.507
265 HB3 LYS 31 1HB LYS 31 -2.228 -14.620 1.167
266 HG2 LYS 31 2HG LYS 31 -4.497 -13.981 0.489
267 HG3 LYS 31 1HG LYS 31 -3.889 -12.451 -0.139
268 HD2 LYS 31 2HD LYS 31 -2.472 -13.664 -1.748
269 HD3 LYS 31 1HD LYS 31 -3.073 -15.200 -1.118
270 HE2 LYS 31 2HE LYS 31 -4.848 -13.047 -2.298
271 HE3 LYS 31 1HE LYS 31 -4.261 -14.446 -3.199
272 HZ1 LYS 31 1HZ LYS 31 -6.078 -15.451 -2.419
273 HZ2 LYS 31 2HZ LYS 31 -6.343 -14.279 -1.218
274 HZ3 LYS 31 3HZ LYS 31 -5.252 -15.551 -0.942
275 H SER 32 H SER 32 -0.502 -11.803 2.493
276 HA SER 32 HA SER 32 0.814 -13.702 4.127
277 HB2 SER 32 2HB SER 32 2.539 -11.941 4.360
278 HB3 SER 32 1HB SER 32 2.050 -12.173 2.686
279 HG SER 32 HG SER 32 0.440 -10.392 3.876
280 H GLY 33 H GLY 33 -1.307 -11.041 4.859
281 HA2 GLY 33 2HA GLY 33 -2.323 -10.562 6.902
282 HA3 GLY 33 1HA GLY 33 -1.295 -11.769 7.661
283 H ALA 34 H ALA 34 0.132 -9.282 5.697
284 HA ALA 34 HA ALA 34 1.776 -8.386 7.847
285 HB1 ALA 34 1HB ALA 34 1.375 -7.555 4.994
286 HB2 ALA 34 2HB ALA 34 2.820 -8.193 5.778
287 HB3 ALA 34 3HB ALA 34 2.314 -6.532 6.083
288 H THR 35 H THR 35 1.987 -5.988 8.308
289 HA THR 35 HA THR 35 -0.659 -5.006 9.094
290 HB THR 35 HB THR 35 0.442 -3.689 10.688
291 HG1 THR 35 1HG THR 35 2.987 -3.834 10.134
292 HG21 THR 35 1HG2 THR 35 0.846 -6.249 10.846
293 HG22 THR 35 2HG2 THR 35 1.839 -5.194 11.851
294 HG23 THR 35 3HG2 THR 35 2.499 -5.864 10.362
295 H TYR 36 H TYR 36 -1.376 -2.902 8.617
296 HA TYR 36 HA TYR 36 -1.018 -2.043 5.964
297 HB2 TYR 36 2HB TYR 36 -2.050 -0.383 8.273
298 HB3 TYR 36 1HB TYR 36 -2.394 -0.144 6.561
299 HD1 TYR 36 1HD TYR 36 -3.165 -2.586 5.418
300 HD2 TYR 36 2HD TYR 36 -3.800 -1.285 9.457
301 HE1 TYR 36 1HE TYR 36 -5.081 -4.142 5.611
302 HE2 TYR 36 2HE TYR 36 -5.709 -2.843 9.654
303 HH TYR 36 HH TYR 36 -6.971 -4.315 8.630
304 H GLU 37 H GLU 37 0.374 -0.862 8.991
305 HA GLU 37 HA GLU 37 1.730 1.373 7.915
306 HB2 GLU 37 2HB GLU 37 1.332 1.046 10.333
307 HB3 GLU 37 1HB GLU 37 2.477 -0.304 10.330
308 HG2 GLU 37 2HG GLU 37 4.255 1.214 9.544
309 HG3 GLU 37 1HG GLU 37 3.108 2.551 9.546
310 H GLN 38 H GLN 38 2.909 -1.925 8.642
311 HA GLN 38 HA GLN 38 5.514 -1.519 7.739
312 HB2 GLN 38 2HB GLN 38 4.896 -3.463 9.018
313 HB3 GLN 38 1HB GLN 38 3.826 -4.025 7.733
314 HG2 GLN 38 2HG GLN 38 5.709 -4.334 6.233
315 HG3 GLN 38 1HG GLN 38 6.806 -3.595 7.399
316 HE21 GLN 38 1HE2 GLN 38 5.178 -6.587 6.548
317 HE22 GLN 38 2HE2 GLN 38 5.840 -7.513 7.809
318 H ILE 39 H ILE 39 2.607 -2.507 5.956
319 HA ILE 39 HA ILE 39 3.877 -3.045 3.503
320 HB ILE 39 HB ILE 39 1.032 -2.213 4.101
321 HG12 ILE 39 2HG1 ILE 39 2.103 -4.943 3.394
322 HG13 ILE 39 1HG1 ILE 39 2.110 -4.391 5.058
323 HG21 ILE 39 1HG2 ILE 39 2.273 -3.468 1.605
324 HG22 ILE 39 2HG2 ILE 39 1.596 -1.834 1.708
325 HG23 ILE 39 3HG2 ILE 39 0.542 -3.234 1.883
326 HD11 ILE 39 1HD1 ILE 39 0.033 -5.614 4.696
327 HD12 ILE 39 2HD1 ILE 39 -0.317 -4.667 3.254
328 HD13 ILE 39 3HD1 ILE 39 -0.363 -3.907 4.835
329 H LYS 40 H LYS 40 2.361 0.057 4.705
330 HA LYS 40 HA LYS 40 2.983 1.299 2.205
331 HB2 LYS 40 2HB LYS 40 2.812 3.512 3.335
332 HB3 LYS 40 1HB LYS 40 1.349 2.504 3.447
333 HG2 LYS 40 2HG LYS 40 1.762 1.957 5.715
334 HG3 LYS 40 1HG LYS 40 3.440 2.520 5.633
335 HD2 LYS 40 2HD LYS 40 2.599 4.843 5.272
336 HD3 LYS 40 1HD LYS 40 0.949 4.255 5.440
337 HE2 LYS 40 2HE LYS 40 1.302 3.635 7.726
338 HE3 LYS 40 1HE LYS 40 3.044 3.877 7.591
339 HZ1 LYS 40 1HZ LYS 40 1.530 6.205 6.856
340 HZ2 LYS 40 2HZ LYS 40 2.832 6.058 7.942
341 HZ3 LYS 40 3HZ LYS 40 1.248 5.728 8.460
342 H GLU 41 H GLU 41 4.734 0.794 5.206
343 HA GLU 41 HA GLU 41 6.784 2.593 4.807
344 HB2 GLU 41 2HB GLU 41 6.520 1.247 6.863
345 HB3 GLU 41 1HB GLU 41 7.022 -0.190 5.966
346 HG2 GLU 41 2HG GLU 41 9.203 0.856 5.490
347 HG3 GLU 41 1HG GLU 41 8.701 2.311 6.348
348 H TRP 42 H TRP 42 6.521 -0.780 3.722
349 HA TRP 42 HA TRP 42 8.987 -0.886 2.364
350 HB2 TRP 42 2HB TRP 42 6.372 -2.288 1.747
351 HB3 TRP 42 1HB TRP 42 7.908 -2.693 1.002
352 HD1 TRP 42 HD TRP 42 9.558 -2.432 3.911
353 HE1 TRP 42 1HE TRP 42 9.317 -4.429 5.512
354 HE3 TRP 42 3HE TRP 42 5.298 -4.562 2.058
355 HZ2 TRP 42 2HZ TRP 42 7.565 -6.617 5.970
356 HZ3 TRP 42 3HZ TRP 42 4.363 -6.614 3.100
357 HH2 TRP 42 HH TRP 42 5.498 -7.647 5.057
358 H ILE 43 H ILE 43 5.753 0.052 1.318
359 HA ILE 43 HA ILE 43 6.375 0.420 -1.404
360 HB ILE 43 HB ILE 43 4.200 1.621 0.310
361 HG12 ILE 43 2HG1 ILE 43 4.119 -0.553 -1.801
362 HG13 ILE 43 1HG1 ILE 43 4.276 -0.878 -0.072
363 HG21 ILE 43 1HG2 ILE 43 4.681 1.746 -2.673
364 HG22 ILE 43 2HG2 ILE 43 4.458 3.097 -1.562
365 HG23 ILE 43 3HG2 ILE 43 3.103 2.024 -1.936
366 HD11 ILE 43 1HD1 ILE 43 1.896 -0.945 -1.052
367 HD12 ILE 43 2HD1 ILE 43 2.024 0.811 -1.178
368 HD13 ILE 43 3HD1 ILE 43 2.127 0.032 0.401
369 H GLU 44 H GLU 44 6.325 2.817 1.242
370 HA GLU 44 HA GLU 44 6.934 4.933 -0.503
371 HB2 GLU 44 2HB GLU 44 7.231 6.329 1.450
372 HB3 GLU 44 1HB GLU 44 5.799 5.314 1.649
373 HG2 GLU 44 2HG GLU 44 6.617 4.476 3.577
374 HG3 GLU 44 1HG GLU 44 8.052 3.912 2.749
375 H ASN 45 H ASN 45 8.972 2.672 1.350
376 HA ASN 45 HA ASN 45 11.417 4.056 0.927
377 HB2 ASN 45 2HB ASN 45 11.229 2.223 2.549
378 HB3 ASN 45 1HB ASN 45 10.901 1.080 1.247
379 HD21 ASN 45 1HD2 ASN 45 12.814 -0.178 1.406
380 HD22 ASN 45 2HD2 ASN 45 14.364 0.461 1.150
381 H ALA 46 H ALA 46 9.695 1.583 -0.978
382 HA ALA 46 HA ALA 46 11.650 1.329 -3.008
383 HB1 ALA 46 1HB ALA 46 8.661 0.998 -3.301
384 HB2 ALA 46 2HB ALA 46 9.736 -0.236 -2.649
385 HB3 ALA 46 3HB ALA 46 9.917 0.292 -4.321
386 H LEU 47 H LEU 47 8.809 3.420 -2.691
387 HA LEU 47 HA LEU 47 8.862 4.621 -5.195
388 HB2 LEU 47 2HB LEU 47 7.220 4.787 -3.136
389 HB3 LEU 47 1HB LEU 47 8.196 6.185 -2.724
390 HG LEU 47 HG LEU 47 6.401 7.047 -3.994
391 HD11 LEU 47 1HD1 LEU 47 7.437 8.039 -5.895
392 HD12 LEU 47 2HD1 LEU 47 8.564 6.697 -6.083
393 HD13 LEU 47 3HD1 LEU 47 8.719 7.792 -4.709
394 HD21 LEU 47 1HD2 LEU 47 6.901 5.094 -6.248
395 HD22 LEU 47 2HD2 LEU 47 5.482 6.095 -5.944
396 HD23 LEU 47 3HD2 LEU 47 5.807 4.706 -4.916
397 H GLY 48 H GLY 48 10.530 5.565 -2.168
398 HA2 GLY 48 2HA GLY 48 11.733 7.904 -3.205
399 HA3 GLY 48 1HA GLY 48 12.291 6.992 -1.799
400 H TRP 49 H TRP 49 12.818 4.536 -3.009
401 HA TRP 49 HA TRP 49 15.414 4.956 -4.034
402 HB2 TRP 49 2HB TRP 49 14.965 2.908 -2.903
403 HB3 TRP 49 1HB TRP 49 13.615 2.528 -3.973
404 HD1 TRP 49 HD TRP 49 14.160 1.168 -6.102
405 HE1 TRP 49 1HE TRP 49 16.333 0.362 -7.236
406 HE3 TRP 49 3HE TRP 49 17.608 3.689 -3.299
407 HZ2 TRP 49 2HZ TRP 49 19.161 0.748 -6.990
408 HZ3 TRP 49 3HZ TRP 49 20.030 3.459 -3.775
409 HH2 TRP 49 HH TRP 49 20.811 1.992 -5.615
410 H ARG 50 H ARG 50 12.325 4.187 -5.604
411 HA ARG 50 HA ARG 50 13.565 4.202 -8.243
412 HB2 ARG 50 2HB ARG 50 11.777 2.573 -7.672
413 HB3 ARG 50 1HB ARG 50 10.658 3.918 -7.452
414 HG2 ARG 50 2HG ARG 50 11.036 4.613 -9.790
415 HG3 ARG 50 1HG ARG 50 12.136 3.252 -10.008
416 HD2 ARG 50 2HD ARG 50 10.260 1.707 -9.394
417 HD3 ARG 50 1HD ARG 50 9.179 3.096 -9.369
418 HE ARG 50 HE ARG 50 10.653 2.868 -11.828
419 HH11 ARG 50 1HH1 ARG 50 9.461 2.305 -13.652
420 HH12 ARG 50 2HH1 ARG 50 7.865 1.658 -13.477
421 HH21 ARG 50 1HH2 ARG 50 7.910 1.823 -10.005
422 HH22 ARG 50 2HH2 ARG 50 6.979 1.382 -11.398
Start of MODEL 5
1 H FME 1 H FME 1 -11.112 -5.406 0.105
2 HCN FME 1 HF FME 1 -12.272 -5.838 2.083
3 HA FME 1 HA FME 1 -8.908 -4.479 1.732
4 HB2 FME 1 1HB FME 1 -8.509 -5.634 -0.404
5 HB3 FME 1 2HB FME 1 -7.825 -4.009 -0.422
6 HG2 FME 1 1HG FME 1 -9.445 -3.202 -1.885
7 HG3 FME 1 2HG FME 1 -10.632 -4.417 -1.405
8 HE1 FME 1 1HE FME 1 -7.782 -3.334 -3.486
9 HE2 FME 1 2HE FME 1 -9.227 -3.413 -4.494
10 HE3 FME 1 3HE FME 1 -7.841 -4.433 -4.872
11 H ALA 2 H ALA 2 -11.783 -3.137 1.161
12 HA ALA 2 HA ALA 2 -11.233 -0.559 0.160
13 HB1 ALA 2 1HB ALA 2 -13.398 -1.466 2.071
14 HB2 ALA 2 2HB ALA 2 -13.504 -1.450 0.309
15 HB3 ALA 2 3HB ALA 2 -13.385 0.066 1.199
16 H GLY 3 H GLY 3 -11.231 -1.852 3.466
17 HA2 GLY 3 2HA GLY 3 -10.830 0.583 4.829
18 HA3 GLY 3 1HA GLY 3 -10.379 -1.008 5.428
19 H LEU 4 H LEU 4 -8.537 -1.769 3.492
20 HA LEU 4 HA LEU 4 -6.162 -0.573 4.421
21 HB2 LEU 4 2HB LEU 4 -6.129 -2.823 3.613
22 HB3 LEU 4 1HB LEU 4 -6.773 -2.351 2.050
23 HG LEU 4 HG LEU 4 -4.295 -2.870 2.098
24 HD11 LEU 4 1HD1 LEU 4 -4.351 -0.032 1.260
25 HD12 LEU 4 2HD1 LEU 4 -5.634 -1.030 0.585
26 HD13 LEU 4 3HD1 LEU 4 -3.950 -1.480 0.346
27 HD21 LEU 4 1HD2 LEU 4 -4.107 -1.559 4.380
28 HD22 LEU 4 2HD2 LEU 4 -3.845 -0.170 3.326
29 HD23 LEU 4 3HD2 LEU 4 -2.761 -1.555 3.242
30 H LEU 5 H LEU 5 -8.027 -0.110 1.438
31 HA LEU 5 HA LEU 5 -6.226 1.676 0.192
32 HB2 LEU 5 2HB LEU 5 -9.214 1.328 -0.074
33 HB3 LEU 5 1HB LEU 5 -8.269 2.403 -1.100
34 HG LEU 5 HG LEU 5 -7.708 -0.560 -0.782
35 HD11 LEU 5 1HD1 LEU 5 -8.736 -0.797 -3.013
36 HD12 LEU 5 2HD1 LEU 5 -9.158 0.916 -3.002
37 HD13 LEU 5 3HD1 LEU 5 -9.904 -0.185 -1.842
38 HD21 LEU 5 1HD2 LEU 5 -6.533 1.684 -2.399
39 HD22 LEU 5 2HD2 LEU 5 -6.563 0.069 -3.101
40 HD23 LEU 5 3HD2 LEU 5 -5.715 0.351 -1.586
41 H ARG 6 H ARG 6 -9.025 2.246 2.323
42 HA ARG 6 HA ARG 6 -8.982 5.056 2.200
43 HB2 ARG 6 2HB ARG 6 -10.840 3.743 3.183
44 HB3 ARG 6 1HB ARG 6 -9.808 3.313 4.541
45 HG2 ARG 6 2HG ARG 6 -9.988 6.233 3.954
46 HG3 ARG 6 1HG ARG 6 -11.479 5.487 4.518
47 HD2 ARG 6 2HD ARG 6 -10.311 4.603 6.492
48 HD3 ARG 6 1HD ARG 6 -8.798 5.304 5.925
49 HE ARG 6 HE ARG 6 -9.591 7.429 6.535
50 HH11 ARG 6 1HH1 ARG 6 -10.998 8.735 7.730
51 HH12 ARG 6 2HH1 ARG 6 -12.512 8.099 8.277
52 HH21 ARG 6 1HH2 ARG 6 -12.013 4.972 6.866
53 HH22 ARG 6 2HH2 ARG 6 -13.090 5.968 7.785
54 H PHE 7 H PHE 7 -7.329 2.798 4.366
55 HA PHE 7 HA PHE 7 -6.103 4.677 6.055
56 HB2 PHE 7 2HB PHE 7 -6.228 2.215 6.440
57 HB3 PHE 7 1HB PHE 7 -5.018 1.994 5.178
58 HD1 PHE 7 1HD PHE 7 -2.705 2.701 5.501
59 HD2 PHE 7 2HD PHE 7 -5.643 3.204 8.591
60 HE1 PHE 7 1HE PHE 7 -0.898 3.083 7.153
61 HE2 PHE 7 2HE PHE 7 -3.837 3.591 10.245
62 HZ PHE 7 HZ PHE 7 -1.466 3.522 9.529
63 H LEU 8 H LEU 8 -4.919 3.159 3.047
64 HA LEU 8 HA LEU 8 -2.392 4.402 3.098
65 HB2 LEU 8 2HB LEU 8 -4.060 3.187 0.913
66 HB3 LEU 8 1HB LEU 8 -2.561 4.025 0.515
67 HG LEU 8 HG LEU 8 -2.798 1.744 2.507
68 HD11 LEU 8 1HD1 LEU 8 -2.116 0.258 0.857
69 HD12 LEU 8 2HD1 LEU 8 -1.376 1.520 -0.123
70 HD13 LEU 8 3HD1 LEU 8 -3.131 1.350 -0.088
71 HD21 LEU 8 1HD2 LEU 8 -0.122 1.969 1.673
72 HD22 LEU 8 2HD2 LEU 8 -0.779 2.524 3.209
73 HD23 LEU 8 3HD2 LEU 8 -0.643 3.642 1.864
74 H LEU 9 H LEU 9 -5.475 5.405 1.688
75 HA LEU 9 HA LEU 9 -4.539 7.714 0.386
76 HB2 LEU 9 2HB LEU 9 -6.736 6.668 0.029
77 HB3 LEU 9 1HB LEU 9 -7.250 7.213 1.614
78 HG LEU 9 HG LEU 9 -6.783 9.569 0.911
79 HD11 LEU 9 1HD1 LEU 9 -5.981 8.127 -1.592
80 HD12 LEU 9 2HD1 LEU 9 -5.233 9.522 -0.815
81 HD13 LEU 9 3HD1 LEU 9 -6.719 9.722 -1.738
82 HD21 LEU 9 1HD2 LEU 9 -9.059 8.574 0.730
83 HD22 LEU 9 2HD2 LEU 9 -8.691 8.087 -0.926
84 HD23 LEU 9 3HD2 LEU 9 -8.761 9.798 -0.504
85 H SER 10 H SER 10 -5.865 7.259 3.654
86 HA SER 10 HA SER 10 -5.867 9.963 4.418
87 HB2 SER 10 2HB SER 10 -7.030 8.425 5.813
88 HB3 SER 10 1HB SER 10 -5.602 7.407 5.998
89 HG SER 10 HG SER 10 -5.996 8.796 7.809
90 H LYS 11 H LYS 11 -3.365 7.468 4.586
91 HA LYS 11 HA LYS 11 -1.504 9.126 6.006
92 HB2 LYS 11 2HB LYS 11 -1.096 6.622 4.374
93 HB3 LYS 11 1HB LYS 11 0.167 7.398 5.327
94 HG2 LYS 11 2HG LYS 11 -2.474 6.472 6.490
95 HG3 LYS 11 1HG LYS 11 -1.012 5.490 6.493
96 HD2 LYS 11 2HD LYS 11 0.088 7.601 7.614
97 HD3 LYS 11 1HD LYS 11 -1.576 8.042 7.992
98 HE2 LYS 11 2HE LYS 11 -0.393 5.349 8.681
99 HE3 LYS 11 1HE LYS 11 -0.415 6.713 9.792
100 HZ1 LYS 11 1HZ LYS 11 -2.790 5.446 8.536
101 HZ2 LYS 11 2HZ LYS 11 -2.830 6.806 9.551
102 HZ3 LYS 11 3HZ LYS 11 -2.321 5.303 10.160
103 H GLY 12 H GLY 12 -1.903 8.350 2.564
104 HA2 GLY 12 2HA GLY 12 -0.772 10.832 1.745
105 HA3 GLY 12 1HA GLY 12 0.351 9.498 1.492
106 H ARG 13 H ARG 13 -0.604 10.964 -0.650
107 HA ARG 13 HA ARG 13 -2.799 9.489 -1.880
108 HB2 ARG 13 2HB ARG 13 -1.121 11.836 -2.781
109 HB3 ARG 13 1HB ARG 13 -2.355 11.084 -3.794
110 HG2 ARG 13 2HG ARG 13 -4.061 11.550 -2.084
111 HG3 ARG 13 1HG ARG 13 -2.834 12.277 -1.045
112 HD2 ARG 13 2HD ARG 13 -2.377 13.978 -2.773
113 HD3 ARG 13 1HD ARG 13 -3.601 13.251 -3.811
114 HE ARG 13 HE ARG 13 -5.264 14.182 -2.451
115 HH11 ARG 13 1HH1 ARG 13 -5.934 15.631 -0.836
116 HH12 ARG 13 2HH1 ARG 13 -4.778 16.272 0.282
117 HH21 ARG 13 1HH2 ARG 13 -2.102 14.539 -1.088
118 HH22 ARG 13 2HH2 ARG 13 -2.604 15.653 0.137
119 H ALA 14 H ALA 14 0.686 9.785 -2.104
120 HA ALA 14 HA ALA 14 1.119 8.525 -4.569
121 HB1 ALA 14 1HB ALA 14 3.363 8.416 -3.940
122 HB2 ALA 14 2HB ALA 14 2.973 8.146 -2.241
123 HB3 ALA 14 3HB ALA 14 2.758 9.746 -2.949
124 H LEU 15 H LEU 15 1.016 7.134 -1.291
125 HA LEU 15 HA LEU 15 1.531 4.475 -2.047
126 HB2 LEU 15 2HB LEU 15 -0.233 5.304 0.258
127 HB3 LEU 15 1HB LEU 15 0.782 3.875 0.117
128 HG LEU 15 HG LEU 15 2.011 6.635 0.049
129 HD11 LEU 15 1HD1 LEU 15 0.881 6.779 2.082
130 HD12 LEU 15 2HD1 LEU 15 2.452 6.132 2.546
131 HD13 LEU 15 3HD1 LEU 15 1.059 5.060 2.415
132 HD21 LEU 15 1HD2 LEU 15 3.506 4.869 -0.599
133 HD22 LEU 15 2HD2 LEU 15 2.975 3.848 0.738
134 HD23 LEU 15 3HD2 LEU 15 3.915 5.303 1.061
135 H TYR 16 H TYR 16 -1.474 6.331 -1.752
136 HA TYR 16 HA TYR 16 -3.286 4.217 -2.163
137 HB2 TYR 16 2HB TYR 16 -4.098 6.337 -1.377
138 HB3 TYR 16 1HB TYR 16 -3.505 7.162 -2.819
139 HD1 TYR 16 1HD TYR 16 -4.787 7.221 -4.814
140 HD2 TYR 16 2HD TYR 16 -5.920 4.588 -1.617
141 HE1 TYR 16 1HE TYR 16 -6.921 6.728 -5.977
142 HE2 TYR 16 2HE TYR 16 -8.055 4.093 -2.779
143 HH TYR 16 HH TYR 16 -9.385 5.872 -5.010
144 H ASN 17 H ASN 17 -1.765 6.453 -4.474
145 HA ASN 17 HA ASN 17 -3.032 5.468 -6.784
146 HB2 ASN 17 2HB ASN 17 -1.810 7.577 -6.797
147 HB3 ASN 17 1HB ASN 17 -0.301 6.730 -6.461
148 HD21 ASN 17 1HD2 ASN 17 -0.127 8.151 -8.738
149 HD22 ASN 17 2HD2 ASN 17 -0.323 7.184 -10.118
150 H TRP 18 H TRP 18 -0.030 4.558 -5.168
151 HA TRP 18 HA TRP 18 0.933 2.689 -7.012
152 HB2 TRP 18 2HB TRP 18 2.398 3.377 -5.289
153 HB3 TRP 18 1HB TRP 18 1.230 3.002 -4.027
154 HD1 TRP 18 HD TRP 18 1.000 0.516 -3.239
155 HE1 TRP 18 1HE TRP 18 2.464 -1.576 -3.600
156 HE3 TRP 18 3HE TRP 18 3.972 2.160 -7.061
157 HZ2 TRP 18 2HZ TRP 18 4.614 -2.437 -5.280
158 HZ3 TRP 18 3HZ TRP 18 5.718 0.685 -8.018
159 HH2 TRP 18 HH TRP 18 6.042 -1.609 -7.135
160 H ALA 19 H ALA 19 -1.194 2.225 -4.191
161 HA ALA 19 HA ALA 19 -1.483 -0.566 -4.423
162 HB1 ALA 19 1HB ALA 19 -3.177 -0.375 -2.823
163 HB2 ALA 19 2HB ALA 19 -3.690 1.205 -3.413
164 HB3 ALA 19 3HB ALA 19 -2.185 1.048 -2.509
165 H LYS 20 H LYS 20 -3.376 2.107 -5.781
166 HA LYS 20 HA LYS 20 -5.398 0.521 -6.965
167 HB2 LYS 20 2HB LYS 20 -5.572 2.973 -6.638
168 HB3 LYS 20 1HB LYS 20 -4.350 3.208 -7.888
169 HG2 LYS 20 2HG LYS 20 -5.785 2.117 -9.541
170 HG3 LYS 20 1HG LYS 20 -6.992 1.778 -8.301
171 HD2 LYS 20 2HD LYS 20 -7.273 4.207 -7.920
172 HD3 LYS 20 1HD LYS 20 -6.093 4.535 -9.190
173 HE2 LYS 20 2HE LYS 20 -8.662 2.978 -9.609
174 HE3 LYS 20 1HE LYS 20 -8.460 4.689 -9.990
175 HZ1 LYS 20 1HZ LYS 20 -7.338 2.343 -11.319
176 HZ2 LYS 20 2HZ LYS 20 -6.376 3.742 -11.263
177 HZ3 LYS 20 3HZ LYS 20 -7.915 3.793 -11.984
178 H SER 21 H SER 21 -2.331 1.772 -8.241
179 HA SER 21 HA SER 21 -2.635 0.857 -10.877
180 HB2 SER 21 2HB SER 21 -0.938 2.502 -10.216
181 HB3 SER 21 1HB SER 21 -0.098 1.268 -9.283
182 HG SER 21 HG SER 21 0.896 1.022 -11.144
183 H HIS 22 H HIS 22 -1.192 -0.737 -8.019
184 HA HIS 22 HA HIS 22 -1.093 -3.256 -9.583
185 HB2 HIS 22 2HB HIS 22 1.118 -2.103 -8.742
186 HB3 HIS 22 1HB HIS 22 0.642 -2.766 -7.181
187 HD1 HIS 22 1HD HIS 22 3.152 -3.897 -8.484
188 HD2 HIS 22 2HD HIS 22 -0.641 -5.496 -9.137
189 HE1 HIS 22 1HE HIS 22 3.504 -6.282 -9.253
190 HE2 HIS 22 2HE HIS 22 1.200 -7.273 -9.649
191 H VAL 23 H VAL 23 -3.208 -3.781 -8.939
192 HA VAL 23 HA VAL 23 -4.037 -3.826 -6.238
193 HB VAL 23 HB VAL 23 -5.870 -5.335 -7.087
194 HG11 VAL 23 1HG1 VAL 23 -5.185 -2.727 -8.426
195 HG12 VAL 23 2HG1 VAL 23 -6.434 -3.061 -7.225
196 HG13 VAL 23 3HG1 VAL 23 -6.641 -3.605 -8.890
197 HG21 VAL 23 1HG2 VAL 23 -4.315 -5.026 -9.672
198 HG22 VAL 23 2HG2 VAL 23 -5.948 -5.676 -9.562
199 HG23 VAL 23 3HG2 VAL 23 -4.607 -6.531 -8.800
200 H GLY 24 H GLY 24 -2.120 -5.924 -8.177
201 HA2 GLY 24 2HA GLY 24 -2.466 -8.372 -6.809
202 HA3 GLY 24 1HA GLY 24 -1.035 -7.907 -7.733
203 H LYS 25 H LYS 25 -0.302 -5.611 -6.262
204 HA LYS 25 HA LYS 25 1.230 -6.751 -4.189
205 HB2 LYS 25 2HB LYS 25 0.484 -3.865 -4.729
206 HB3 LYS 25 1HB LYS 25 1.704 -4.370 -3.566
207 HG2 LYS 25 2HG LYS 25 1.857 -5.266 -6.441
208 HG3 LYS 25 1HG LYS 25 2.480 -3.693 -5.960
209 HD2 LYS 25 2HD LYS 25 3.945 -4.806 -4.288
210 HD3 LYS 25 1HD LYS 25 3.359 -6.373 -4.834
211 HE2 LYS 25 2HE LYS 25 4.191 -5.917 -7.099
212 HE3 LYS 25 1HE LYS 25 4.780 -4.343 -6.569
213 HZ1 LYS 25 1HZ LYS 25 5.627 -6.630 -4.991
214 HZ2 LYS 25 2HZ LYS 25 6.500 -5.251 -5.469
215 HZ3 LYS 25 3HZ LYS 25 6.269 -6.533 -6.559
216 H VAL 26 H VAL 26 -1.819 -4.989 -4.200
217 HA VAL 26 HA VAL 26 -2.187 -4.730 -1.424
218 HB VAL 26 HB VAL 26 -4.141 -4.952 -3.710
219 HG11 VAL 26 1HG1 VAL 26 -5.422 -5.603 -1.827
220 HG12 VAL 26 2HG1 VAL 26 -5.709 -3.870 -1.972
221 HG13 VAL 26 3HG1 VAL 26 -4.580 -4.478 -0.762
222 HG21 VAL 26 1HG2 VAL 26 -4.388 -2.484 -3.140
223 HG22 VAL 26 2HG2 VAL 26 -2.836 -2.946 -3.839
224 HG23 VAL 26 3HG2 VAL 26 -2.974 -2.672 -2.101
225 H TRP 27 H TRP 27 -3.223 -7.219 -3.712
226 HA TRP 27 HA TRP 27 -4.557 -8.873 -1.851
227 HB2 TRP 27 2HB TRP 27 -3.270 -9.457 -4.516
228 HB3 TRP 27 1HB TRP 27 -4.081 -10.705 -3.570
229 HD1 TRP 27 HD TRP 27 -4.773 -8.230 -6.149
230 HE1 TRP 27 1HE TRP 27 -7.294 -7.731 -6.330
231 HE3 TRP 27 3HE TRP 27 -6.418 -10.383 -1.816
232 HZ2 TRP 27 2HZ TRP 27 -9.690 -8.181 -4.840
233 HZ3 TRP 27 3HZ TRP 27 -8.827 -10.330 -1.224
234 HH2 TRP 27 HH TRP 27 -10.463 -9.233 -2.730
235 H GLU 28 H GLU 28 -1.212 -8.854 -2.988
236 HA GLU 28 HA GLU 28 -0.289 -11.142 -1.707
237 HB2 GLU 28 2HB GLU 28 0.970 -9.824 -3.412
238 HB3 GLU 28 1HB GLU 28 1.262 -8.590 -2.189
239 HG2 GLU 28 2HG GLU 28 3.203 -10.005 -2.227
240 HG3 GLU 28 1HG GLU 28 2.317 -10.396 -0.754
241 H TRP 29 H TRP 29 -0.350 -7.743 -0.501
242 HA TRP 29 HA TRP 29 0.864 -8.448 1.981
243 HB2 TRP 29 2HB TRP 29 -1.048 -6.149 1.743
244 HB3 TRP 29 1HB TRP 29 0.346 -6.322 2.792
245 HD1 TRP 29 HD TRP 29 -0.601 -4.323 0.132
246 HE1 TRP 29 1HE TRP 29 1.328 -3.595 -1.397
247 HE3 TRP 29 3HE TRP 29 2.967 -7.707 1.532
248 HZ2 TRP 29 2HZ TRP 29 4.020 -4.319 -1.946
249 HZ3 TRP 29 3HZ TRP 29 5.201 -7.633 0.492
250 HH2 TRP 29 HH TRP 29 5.741 -5.957 -1.242
251 H LEU 30 H LEU 30 -2.523 -8.275 0.930
252 HA LEU 30 HA LEU 30 -3.645 -8.613 3.503
253 HB2 LEU 30 2HB LEU 30 -4.618 -8.964 0.713
254 HB3 LEU 30 1HB LEU 30 -5.534 -9.787 1.969
255 HG LEU 30 HG LEU 30 -6.454 -7.549 1.514
256 HD11 LEU 30 1HD1 LEU 30 -6.114 -8.650 3.948
257 HD12 LEU 30 2HD1 LEU 30 -6.922 -7.103 3.705
258 HD13 LEU 30 3HD1 LEU 30 -5.233 -7.141 4.204
259 HD21 LEU 30 1HD2 LEU 30 -3.643 -6.653 2.145
260 HD22 LEU 30 2HD2 LEU 30 -5.013 -5.578 2.397
261 HD23 LEU 30 3HD2 LEU 30 -4.674 -6.203 0.791
262 H LYS 31 H LYS 31 -2.630 -10.999 1.077
263 HA LYS 31 HA LYS 31 -3.480 -13.299 2.482
264 HB2 LYS 31 2HB LYS 31 -2.793 -13.280 0.080
265 HB3 LYS 31 1HB LYS 31 -1.126 -13.041 0.596
266 HG2 LYS 31 2HG LYS 31 -1.145 -15.165 1.800
267 HG3 LYS 31 1HG LYS 31 -2.854 -15.392 1.428
268 HD2 LYS 31 2HD LYS 31 -1.781 -16.705 -0.206
269 HD3 LYS 31 1HD LYS 31 -2.104 -15.198 -1.062
270 HE2 LYS 31 2HE LYS 31 0.223 -16.018 -1.419
271 HE3 LYS 31 1HE LYS 31 0.184 -14.436 -0.649
272 HZ1 LYS 31 1HZ LYS 31 1.407 -16.732 0.290
273 HZ2 LYS 31 2HZ LYS 31 0.066 -16.478 1.303
274 HZ3 LYS 31 3HZ LYS 31 1.231 -15.257 1.107
275 H SER 32 H SER 32 -0.415 -11.526 2.438
276 HA SER 32 HA SER 32 1.023 -13.242 4.165
277 HB2 SER 32 2HB SER 32 1.374 -10.286 3.626
278 HB3 SER 32 1HB SER 32 2.541 -11.304 4.464
279 HG SER 32 HG SER 32 2.181 -10.978 1.842
280 H GLY 33 H GLY 33 -1.080 -10.476 4.769
281 HA2 GLY 33 2HA GLY 33 -2.343 -10.188 6.753
282 HA3 GLY 33 1HA GLY 33 -1.208 -11.236 7.602
283 H ALA 34 H ALA 34 0.255 -8.923 5.561
284 HA ALA 34 HA ALA 34 1.611 -7.619 7.687
285 HB1 ALA 34 1HB ALA 34 1.326 -7.010 4.743
286 HB2 ALA 34 2HB ALA 34 2.727 -7.662 5.592
287 HB3 ALA 34 3HB ALA 34 2.259 -5.977 5.824
288 H THR 35 H THR 35 1.472 -5.376 8.302
289 HA THR 35 HA THR 35 -1.286 -4.495 8.549
290 HB THR 35 HB THR 35 -0.349 -2.808 10.076
291 HG1 THR 35 1HG THR 35 1.693 -2.334 9.988
292 HG21 THR 35 1HG2 THR 35 0.783 -5.596 10.438
293 HG22 THR 35 2HG2 THR 35 -0.821 -5.054 10.934
294 HG23 THR 35 3HG2 THR 35 0.615 -4.399 11.721
295 H TYR 36 H TYR 36 -1.887 -2.234 8.137
296 HA TYR 36 HA TYR 36 -1.401 -1.438 5.482
297 HB2 TYR 36 2HB TYR 36 -2.240 0.509 7.606
298 HB3 TYR 36 1HB TYR 36 -2.802 0.373 5.942
299 HD1 TYR 36 1HD TYR 36 -3.142 -2.759 6.072
300 HD2 TYR 36 2HD TYR 36 -4.463 0.470 8.593
301 HE1 TYR 36 1HE TYR 36 -5.052 -4.125 6.828
302 HE2 TYR 36 2HE TYR 36 -6.377 -0.914 9.347
303 HH TYR 36 HH TYR 36 -7.260 -3.822 7.767
304 H GLU 37 H GLU 37 -0.017 -0.406 8.543
305 HA GLU 37 HA GLU 37 1.511 1.750 7.586
306 HB2 GLU 37 2HB GLU 37 1.826 -0.046 9.991
307 HB3 GLU 37 1HB GLU 37 2.836 1.371 9.705
308 HG2 GLU 37 2HG GLU 37 0.843 2.806 9.676
309 HG3 GLU 37 1HG GLU 37 -0.189 1.393 9.910
310 H GLN 38 H GLN 38 2.382 -1.650 8.155
311 HA GLN 38 HA GLN 38 5.080 -1.415 7.404
312 HB2 GLN 38 2HB GLN 38 4.110 -3.320 8.624
313 HB3 GLN 38 1HB GLN 38 3.277 -3.833 7.158
314 HG2 GLN 38 2HG GLN 38 5.448 -4.028 6.003
315 HG3 GLN 38 1HG GLN 38 6.279 -3.540 7.476
316 HE21 GLN 38 1HE2 GLN 38 7.045 -5.299 8.678
317 HE22 GLN 38 2HE2 GLN 38 6.349 -6.848 8.677
318 H ILE 39 H ILE 39 2.158 -2.101 5.518
319 HA ILE 39 HA ILE 39 3.453 -2.721 3.090
320 HB ILE 39 HB ILE 39 0.711 -1.545 3.591
321 HG12 ILE 39 2HG1 ILE 39 1.491 -4.361 2.822
322 HG13 ILE 39 1HG1 ILE 39 1.362 -3.875 4.506
323 HG21 ILE 39 1HG2 ILE 39 1.328 -1.108 1.300
324 HG22 ILE 39 2HG2 ILE 39 0.295 -2.531 1.281
325 HG23 ILE 39 3HG2 ILE 39 2.048 -2.710 1.125
326 HD11 ILE 39 1HD1 ILE 39 -0.786 -4.751 3.997
327 HD12 ILE 39 2HD1 ILE 39 -0.815 -3.972 2.416
328 HD13 ILE 39 3HD1 ILE 39 -1.005 -3.011 3.875
329 H LYS 40 H LYS 40 2.223 0.487 4.339
330 HA LYS 40 HA LYS 40 3.052 1.766 1.908
331 HB2 LYS 40 2HB LYS 40 2.970 3.930 3.025
332 HB3 LYS 40 1HB LYS 40 1.471 2.992 3.296
333 HG2 LYS 40 2HG LYS 40 2.261 2.328 5.514
334 HG3 LYS 40 1HG LYS 40 3.793 3.164 5.250
335 HD2 LYS 40 2HD LYS 40 2.483 5.284 4.889
336 HD3 LYS 40 1HD LYS 40 1.037 4.411 5.395
337 HE2 LYS 40 2HE LYS 40 2.011 3.972 7.580
338 HE3 LYS 40 1HE LYS 40 3.540 4.696 7.080
339 HZ1 LYS 40 1HZ LYS 40 1.707 6.057 8.364
340 HZ2 LYS 40 2HZ LYS 40 1.118 6.297 6.790
341 HZ3 LYS 40 3HZ LYS 40 2.697 6.781 7.191
342 H GLU 41 H GLU 41 4.643 1.056 4.980
343 HA GLU 41 HA GLU 41 6.864 2.686 4.694
344 HB2 GLU 41 2HB GLU 41 6.367 1.351 6.697
345 HB3 GLU 41 1HB GLU 41 6.806 -0.106 5.804
346 HG2 GLU 41 2HG GLU 41 9.061 0.773 5.439
347 HG3 GLU 41 1HG GLU 41 8.633 2.257 6.286
348 H TRP 42 H TRP 42 6.349 -0.653 3.518
349 HA TRP 42 HA TRP 42 8.883 -0.880 2.273
350 HB2 TRP 42 2HB TRP 42 6.254 -2.202 1.576
351 HB3 TRP 42 1HB TRP 42 7.795 -2.635 0.854
352 HD1 TRP 42 HD TRP 42 9.543 -2.545 3.610
353 HE1 TRP 42 1HE TRP 42 9.223 -4.452 5.282
354 HE3 TRP 42 3HE TRP 42 4.958 -4.273 2.135
355 HZ2 TRP 42 2HZ TRP 42 7.311 -6.451 5.925
356 HZ3 TRP 42 3HZ TRP 42 3.916 -6.195 3.305
357 HH2 TRP 42 HH TRP 42 5.094 -7.285 5.199
358 H ILE 43 H ILE 43 5.764 0.234 1.089
359 HA ILE 43 HA ILE 43 6.528 0.550 -1.605
360 HB ILE 43 HB ILE 43 4.399 1.907 0.047
361 HG12 ILE 43 2HG1 ILE 43 4.139 -0.154 -2.154
362 HG13 ILE 43 1HG1 ILE 43 4.279 -0.591 -0.450
363 HG21 ILE 43 1HG2 ILE 43 4.951 2.066 -2.928
364 HG22 ILE 43 2HG2 ILE 43 4.884 3.412 -1.786
365 HG23 ILE 43 3HG2 ILE 43 3.416 2.523 -2.194
366 HD11 ILE 43 1HD1 ILE 43 2.197 1.348 -1.482
367 HD12 ILE 43 2HD1 ILE 43 2.265 0.588 0.104
368 HD13 ILE 43 3HD1 ILE 43 1.894 -0.383 -1.321
369 H GLU 44 H GLU 44 6.566 2.933 1.054
370 HA GLU 44 HA GLU 44 7.439 4.999 -0.643
371 HB2 GLU 44 2HB GLU 44 7.664 6.359 1.316
372 HB3 GLU 44 1HB GLU 44 6.174 5.412 1.440
373 HG2 GLU 44 2HG GLU 44 6.847 4.513 3.387
374 HG3 GLU 44 1HG GLU 44 8.333 3.916 2.664
375 H ASN 45 H ASN 45 9.198 2.612 1.339
376 HA ASN 45 HA ASN 45 11.750 3.803 1.095
377 HB2 ASN 45 2HB ASN 45 11.266 1.984 2.686
378 HB3 ASN 45 1HB ASN 45 10.974 0.883 1.342
379 HD21 ASN 45 1HD2 ASN 45 12.778 -0.532 1.791
380 HD22 ASN 45 2HD2 ASN 45 14.389 -0.018 1.650
381 H ALA 46 H ALA 46 9.961 1.467 -0.950
382 HA ALA 46 HA ALA 46 12.057 1.011 -2.808
383 HB1 ALA 46 1HB ALA 46 9.095 0.873 -3.392
384 HB2 ALA 46 2HB ALA 46 9.959 -0.383 -2.505
385 HB3 ALA 46 3HB ALA 46 10.394 -0.026 -4.176
386 H LEU 47 H LEU 47 9.376 3.324 -2.706
387 HA LEU 47 HA LEU 47 9.724 4.473 -5.234
388 HB2 LEU 47 2HB LEU 47 7.886 4.786 -3.398
389 HB3 LEU 47 1HB LEU 47 8.924 6.093 -2.837
390 HG LEU 47 HG LEU 47 7.936 5.825 -5.690
391 HD11 LEU 47 1HD1 LEU 47 6.055 6.209 -4.154
392 HD12 LEU 47 2HD1 LEU 47 6.378 7.660 -5.103
393 HD13 LEU 47 3HD1 LEU 47 6.913 7.567 -3.426
394 HD21 LEU 47 1HD2 LEU 47 9.751 7.231 -5.903
395 HD22 LEU 47 2HD2 LEU 47 9.698 7.744 -4.217
396 HD23 LEU 47 3HD2 LEU 47 8.572 8.435 -5.385
397 H GLY 48 H GLY 48 11.176 5.343 -2.067
398 HA2 GLY 48 2HA GLY 48 12.628 7.584 -2.981
399 HA3 GLY 48 1HA GLY 48 13.001 6.636 -1.544
400 H TRP 49 H TRP 49 13.525 4.143 -2.697
401 HA TRP 49 HA TRP 49 16.195 4.597 -3.707
402 HB2 TRP 49 2HB TRP 49 15.942 2.771 -2.184
403 HB3 TRP 49 1HB TRP 49 14.608 2.090 -3.115
404 HD1 TRP 49 HD TRP 49 15.232 0.321 -4.866
405 HE1 TRP 49 1HE TRP 49 17.431 -0.489 -5.949
406 HE3 TRP 49 3HE TRP 49 18.473 3.752 -2.938
407 HZ2 TRP 49 2HZ TRP 49 20.206 0.232 -5.988
408 HZ3 TRP 49 3HZ TRP 49 20.881 3.676 -3.509
409 HH2 TRP 49 HH TRP 49 21.752 1.923 -5.030
410 H ARG 50 H ARG 50 13.425 2.725 -4.927
411 HA ARG 50 HA ARG 50 13.072 1.894 -7.081
412 HB2 ARG 50 2HB ARG 50 11.866 4.056 -6.888
413 HB3 ARG 50 1HB ARG 50 13.276 4.872 -7.566
414 HG2 ARG 50 2HG ARG 50 13.101 3.513 -9.608
415 HG3 ARG 50 1HG ARG 50 11.706 2.671 -8.933
416 HD2 ARG 50 2HD ARG 50 10.541 4.889 -8.753
417 HD3 ARG 50 1HD ARG 50 11.897 5.615 -9.612
418 HE ARG 50 HE ARG 50 10.970 3.441 -11.134
419 HH11 ARG 50 1HH1 ARG 50 9.611 3.834 -12.914
420 HH12 ARG 50 2HH1 ARG 50 8.714 5.313 -13.002
421 HH21 ARG 50 1HH2 ARG 50 9.936 6.540 -9.996
422 HH22 ARG 50 2HH2 ARG 50 8.898 6.845 -11.348
Start of MODEL 6
1 H FME 1 H FME 1 -10.787 -5.500 1.770
2 HCN FME 1 HF FME 1 -10.483 -4.912 4.003
3 HA FME 1 HA FME 1 -8.383 -4.293 0.981
4 HB2 FME 1 1HB FME 1 -10.863 -4.395 -0.735
5 HB3 FME 1 2HB FME 1 -9.936 -5.847 -0.343
6 HG2 FME 1 1HG FME 1 -7.898 -4.763 -1.261
7 HG3 FME 1 2HG FME 1 -8.864 -3.354 -1.698
8 HE1 FME 1 1HE FME 1 -8.153 -4.750 -5.113
9 HE2 FME 1 2HE FME 1 -7.102 -5.429 -3.873
10 HE3 FME 1 3HE FME 1 -7.607 -3.744 -3.765
11 H ALA 2 H ALA 2 -11.696 -2.959 1.048
12 HA ALA 2 HA ALA 2 -11.051 -0.415 0.019
13 HB1 ALA 2 1HB ALA 2 -13.203 0.280 0.773
14 HB2 ALA 2 2HB ALA 2 -13.249 -0.977 2.009
15 HB3 ALA 2 3HB ALA 2 -13.367 -1.412 0.304
16 H GLY 3 H GLY 3 -11.094 -1.678 3.328
17 HA2 GLY 3 2HA GLY 3 -10.681 0.768 4.669
18 HA3 GLY 3 1HA GLY 3 -10.241 -0.822 5.289
19 H LEU 4 H LEU 4 -8.391 -1.619 3.366
20 HA LEU 4 HA LEU 4 -6.016 -0.439 4.280
21 HB2 LEU 4 2HB LEU 4 -6.127 -2.698 3.316
22 HB3 LEU 4 1HB LEU 4 -6.529 -2.018 1.747
23 HG LEU 4 HG LEU 4 -4.256 -0.698 2.049
24 HD11 LEU 4 1HD1 LEU 4 -3.870 -1.337 4.362
25 HD12 LEU 4 2HD1 LEU 4 -2.620 -2.038 3.333
26 HD13 LEU 4 3HD1 LEU 4 -3.946 -3.043 3.917
27 HD21 LEU 4 1HD2 LEU 4 -4.460 -2.243 0.269
28 HD22 LEU 4 2HD2 LEU 4 -4.581 -3.609 1.375
29 HD23 LEU 4 3HD2 LEU 4 -3.045 -2.779 1.175
30 H LEU 5 H LEU 5 -7.833 0.020 1.255
31 HA LEU 5 HA LEU 5 -6.027 1.820 0.071
32 HB2 LEU 5 2HB LEU 5 -9.016 1.533 -0.266
33 HB3 LEU 5 1HB LEU 5 -7.979 2.504 -1.317
34 HG LEU 5 HG LEU 5 -7.599 -0.456 -0.801
35 HD11 LEU 5 1HD1 LEU 5 -9.598 -0.311 -2.048
36 HD12 LEU 5 2HD1 LEU 5 -8.351 -0.555 -3.271
37 HD13 LEU 5 3HD1 LEU 5 -9.012 1.056 -2.996
38 HD21 LEU 5 1HD2 LEU 5 -5.506 0.238 -1.496
39 HD22 LEU 5 2HD2 LEU 5 -6.133 1.634 -2.368
40 HD23 LEU 5 3HD2 LEU 5 -6.253 0.024 -3.076
41 H ARG 6 H ARG 6 -8.870 2.382 2.143
42 HA ARG 6 HA ARG 6 -8.786 5.193 1.986
43 HB2 ARG 6 2HB ARG 6 -10.631 5.091 3.304
44 HB3 ARG 6 1HB ARG 6 -10.513 3.361 3.049
45 HG2 ARG 6 2HG ARG 6 -10.731 3.472 5.347
46 HG3 ARG 6 1HG ARG 6 -8.990 3.447 5.214
47 HD2 ARG 6 2HD ARG 6 -8.993 5.958 5.336
48 HD3 ARG 6 1HD ARG 6 -10.736 5.899 5.536
49 HE ARG 6 HE ARG 6 -9.634 4.251 7.490
50 HH11 ARG 6 1HH1 ARG 6 -9.286 5.013 9.565
51 HH12 ARG 6 2HH1 ARG 6 -9.155 6.712 9.860
52 HH21 ARG 6 1HH2 ARG 6 -9.592 7.578 6.521
53 HH22 ARG 6 2HH2 ARG 6 -9.327 8.179 8.125
54 H PHE 7 H PHE 7 -7.239 2.960 4.251
55 HA PHE 7 HA PHE 7 -6.139 4.868 5.995
56 HB2 PHE 7 2HB PHE 7 -6.293 2.419 6.431
57 HB3 PHE 7 1HB PHE 7 -5.028 2.163 5.234
58 HD1 PHE 7 1HD PHE 7 -2.714 2.579 5.752
59 HD2 PHE 7 2HD PHE 7 -5.797 3.724 8.516
60 HE1 PHE 7 1HE PHE 7 -0.996 2.982 7.500
61 HE2 PHE 7 2HE PHE 7 -4.080 4.134 10.261
62 HZ PHE 7 HZ PHE 7 -1.688 3.755 9.754
63 H LEU 8 H LEU 8 -4.854 3.318 3.065
64 HA LEU 8 HA LEU 8 -2.301 4.499 3.178
65 HB2 LEU 8 2HB LEU 8 -3.903 3.505 0.804
66 HB3 LEU 8 1HB LEU 8 -2.224 4.033 0.702
67 HG LEU 8 HG LEU 8 -2.988 1.956 2.737
68 HD11 LEU 8 1HD1 LEU 8 -3.926 1.119 0.636
69 HD12 LEU 8 2HD1 LEU 8 -2.453 0.225 1.003
70 HD13 LEU 8 3HD1 LEU 8 -2.431 1.496 -0.211
71 HD21 LEU 8 1HD2 LEU 8 -0.481 1.981 1.081
72 HD22 LEU 8 2HD2 LEU 8 -0.720 1.453 2.743
73 HD23 LEU 8 3HD2 LEU 8 -0.656 3.167 2.371
74 H LEU 9 H LEU 9 -5.315 5.548 1.636
75 HA LEU 9 HA LEU 9 -4.271 7.853 0.373
76 HB2 LEU 9 2HB LEU 9 -6.613 6.624 0.207
77 HB3 LEU 9 1HB LEU 9 -7.070 7.798 1.437
78 HG LEU 9 HG LEU 9 -5.781 8.526 -1.205
79 HD11 LEU 9 1HD1 LEU 9 -8.164 7.500 -1.238
80 HD12 LEU 9 2HD1 LEU 9 -7.918 9.047 -2.060
81 HD13 LEU 9 3HD1 LEU 9 -8.663 9.003 -0.461
82 HD21 LEU 9 1HD2 LEU 9 -6.784 10.054 1.170
83 HD22 LEU 9 2HD2 LEU 9 -6.926 10.782 -0.430
84 HD23 LEU 9 3HD2 LEU 9 -5.342 10.327 0.193
85 H SER 10 H SER 10 -5.780 7.408 3.591
86 HA SER 10 HA SER 10 -5.775 10.112 4.346
87 HB2 SER 10 2HB SER 10 -5.473 7.665 6.094
88 HB3 SER 10 1HB SER 10 -5.893 9.279 6.657
89 HG SER 10 HG SER 10 -7.770 8.087 6.317
90 H LYS 11 H LYS 11 -3.263 7.612 4.675
91 HA LYS 11 HA LYS 11 -1.498 9.324 6.141
92 HB2 LYS 11 2HB LYS 11 -0.937 6.798 4.565
93 HB3 LYS 11 1HB LYS 11 0.222 7.598 5.620
94 HG2 LYS 11 2HG LYS 11 -2.484 6.619 6.575
95 HG3 LYS 11 1HG LYS 11 -1.012 5.654 6.687
96 HD2 LYS 11 2HD LYS 11 -0.013 7.737 7.899
97 HD3 LYS 11 1HD LYS 11 -1.691 8.220 8.118
98 HE2 LYS 11 2HE LYS 11 -2.189 6.111 9.246
99 HE3 LYS 11 1HE LYS 11 -0.534 5.561 8.974
100 HZ1 LYS 11 1HZ LYS 11 -1.557 7.340 10.977
101 HZ2 LYS 11 2HZ LYS 11 -0.220 7.988 10.153
102 HZ3 LYS 11 3HZ LYS 11 -0.093 6.485 10.935
103 H GLY 12 H GLY 12 -1.759 8.467 2.706
104 HA2 GLY 12 2HA GLY 12 -0.630 10.970 1.889
105 HA3 GLY 12 1HA GLY 12 0.500 9.634 1.658
106 H ARG 13 H ARG 13 -0.354 11.019 -0.540
107 HA ARG 13 HA ARG 13 -2.587 9.566 -1.733
108 HB2 ARG 13 2HB ARG 13 -2.372 12.011 -2.077
109 HB3 ARG 13 1HB ARG 13 -0.845 11.736 -2.915
110 HG2 ARG 13 2HG ARG 13 -2.001 10.345 -4.586
111 HG3 ARG 13 1HG ARG 13 -3.533 10.598 -3.746
112 HD2 ARG 13 2HD ARG 13 -3.230 13.071 -4.093
113 HD3 ARG 13 1HD ARG 13 -1.825 12.707 -5.091
114 HE ARG 13 HE ARG 13 -4.031 11.221 -6.044
115 HH11 ARG 13 1HH1 ARG 13 -5.124 11.969 -7.900
116 HH12 ARG 13 2HH1 ARG 13 -4.963 13.626 -8.379
117 HH21 ARG 13 1HH2 ARG 13 -2.845 14.454 -5.763
118 HH22 ARG 13 2HH2 ARG 13 -3.673 15.030 -7.172
119 H ALA 14 H ALA 14 0.891 9.735 -1.906
120 HA ALA 14 HA ALA 14 1.271 8.405 -4.352
121 HB1 ALA 14 1HB ALA 14 3.489 7.709 -3.178
122 HB2 ALA 14 2HB ALA 14 2.928 8.754 -1.873
123 HB3 ALA 14 3HB ALA 14 3.184 9.417 -3.487
124 H LEU 15 H LEU 15 0.943 7.159 -1.034
125 HA LEU 15 HA LEU 15 1.433 4.454 -1.584
126 HB2 LEU 15 2HB LEU 15 -0.547 5.600 0.392
127 HB3 LEU 15 1HB LEU 15 0.260 4.047 0.486
128 HG LEU 15 HG LEU 15 1.716 6.701 0.477
129 HD11 LEU 15 1HD1 LEU 15 2.123 6.026 2.927
130 HD12 LEU 15 2HD1 LEU 15 0.755 4.932 2.727
131 HD13 LEU 15 3HD1 LEU 15 0.531 6.669 2.530
132 HD21 LEU 15 1HD2 LEU 15 2.506 3.808 0.761
133 HD22 LEU 15 2HD2 LEU 15 3.485 5.076 1.491
134 HD23 LEU 15 3HD2 LEU 15 3.228 5.057 -0.253
135 H TYR 16 H TYR 16 -1.567 6.332 -1.618
136 HA TYR 16 HA TYR 16 -3.376 4.253 -2.183
137 HB2 TYR 16 2HB TYR 16 -4.101 6.437 -1.403
138 HB3 TYR 16 1HB TYR 16 -3.466 7.212 -2.853
139 HD1 TYR 16 1HD TYR 16 -4.898 7.598 -4.621
140 HD2 TYR 16 2HD TYR 16 -5.814 4.465 -1.834
141 HE1 TYR 16 1HE TYR 16 -7.056 7.213 -5.766
142 HE2 TYR 16 2HE TYR 16 -7.973 4.071 -2.986
143 HH TYR 16 HH TYR 16 -9.505 5.175 -4.423
144 H ASN 17 H ASN 17 -1.614 6.465 -4.325
145 HA ASN 17 HA ASN 17 -2.726 5.537 -6.741
146 HB2 ASN 17 2HB ASN 17 -0.132 6.908 -6.060
147 HB3 ASN 17 1HB ASN 17 -0.518 6.428 -7.712
148 HD21 ASN 17 1HD2 ASN 17 -0.256 9.184 -6.920
149 HD22 ASN 17 2HD2 ASN 17 -1.777 9.915 -7.086
150 H TRP 18 H TRP 18 0.166 4.523 -4.939
151 HA TRP 18 HA TRP 18 1.171 2.672 -6.775
152 HB2 TRP 18 2HB TRP 18 2.548 3.306 -4.942
153 HB3 TRP 18 1HB TRP 18 1.312 2.867 -3.766
154 HD1 TRP 18 HD TRP 18 0.813 0.255 -3.434
155 HE1 TRP 18 1HE TRP 18 2.344 -1.794 -3.705
156 HE3 TRP 18 3HE TRP 18 4.532 2.308 -6.262
157 HZ2 TRP 18 2HZ TRP 18 4.828 -2.472 -4.944
158 HZ3 TRP 18 3HZ TRP 18 6.473 0.938 -6.975
159 HH2 TRP 18 HH TRP 18 6.623 -1.450 -6.322
160 H ALA 19 H ALA 19 -1.137 2.238 -4.104
161 HA ALA 19 HA ALA 19 -1.462 -0.548 -4.379
162 HB1 ALA 19 1HB ALA 19 -3.621 -0.183 -3.180
163 HB2 ALA 19 2HB ALA 19 -3.382 1.555 -3.355
164 HB3 ALA 19 3HB ALA 19 -2.251 0.601 -2.396
165 H LYS 20 H LYS 20 -3.180 2.180 -5.853
166 HA LYS 20 HA LYS 20 -5.159 0.647 -7.179
167 HB2 LYS 20 2HB LYS 20 -5.290 3.109 -6.836
168 HB3 LYS 20 1HB LYS 20 -3.997 3.317 -8.017
169 HG2 LYS 20 2HG LYS 20 -5.375 2.242 -9.742
170 HG3 LYS 20 1HG LYS 20 -6.657 1.973 -8.561
171 HD2 LYS 20 2HD LYS 20 -6.858 4.422 -8.224
172 HD3 LYS 20 1HD LYS 20 -5.598 4.680 -9.432
173 HE2 LYS 20 2HE LYS 20 -6.994 3.584 -11.139
174 HE3 LYS 20 1HE LYS 20 -8.245 3.291 -9.934
175 HZ1 LYS 20 1HZ LYS 20 -8.587 5.299 -11.359
176 HZ2 LYS 20 2HZ LYS 20 -7.241 6.001 -10.597
177 HZ3 LYS 20 3HZ LYS 20 -8.619 5.597 -9.688
178 H SER 21 H SER 21 -1.989 1.847 -8.205
179 HA SER 21 HA SER 21 -2.063 0.964 -10.859
180 HB2 SER 21 2HB SER 21 -0.377 2.508 -10.333
181 HB3 SER 21 1HB SER 21 0.183 1.562 -8.956
182 HG SER 21 HG SER 21 1.254 1.504 -11.239
183 H HIS 22 H HIS 22 -0.882 -0.724 -7.926
184 HA HIS 22 HA HIS 22 -0.752 -3.204 -9.545
185 HB2 HIS 22 2HB HIS 22 1.050 -2.329 -7.276
186 HB3 HIS 22 1HB HIS 22 1.067 -3.929 -8.011
187 HD1 HIS 22 1HD HIS 22 1.519 -3.904 -10.720
188 HD2 HIS 22 2HD HIS 22 2.666 -0.498 -8.606
189 HE1 HIS 22 1HE HIS 22 3.135 -2.646 -12.209
190 HE2 HIS 22 2HE HIS 22 3.841 -0.564 -10.937
191 H VAL 23 H VAL 23 -2.852 -3.774 -8.966
192 HA VAL 23 HA VAL 23 -3.779 -3.854 -6.304
193 HB VAL 23 HB VAL 23 -5.570 -5.339 -7.200
194 HG11 VAL 23 1HG1 VAL 23 -6.291 -3.687 -9.043
195 HG12 VAL 23 2HG1 VAL 23 -4.779 -2.840 -8.713
196 HG13 VAL 23 3HG1 VAL 23 -5.989 -3.014 -7.443
197 HG21 VAL 23 1HG2 VAL 23 -3.697 -5.316 -9.580
198 HG22 VAL 23 2HG2 VAL 23 -5.426 -5.592 -9.790
199 HG23 VAL 23 3HG2 VAL 23 -4.475 -6.696 -8.803
200 H GLY 24 H GLY 24 -1.752 -5.906 -8.183
201 HA2 GLY 24 2HA GLY 24 -2.116 -8.371 -6.856
202 HA3 GLY 24 1HA GLY 24 -0.661 -7.880 -7.720
203 H LYS 25 H LYS 25 -0.033 -5.576 -6.178
204 HA LYS 25 HA LYS 25 1.442 -6.746 -4.068
205 HB2 LYS 25 2HB LYS 25 0.697 -3.835 -4.491
206 HB3 LYS 25 1HB LYS 25 1.930 -4.420 -3.381
207 HG2 LYS 25 2HG LYS 25 2.054 -5.113 -6.316
208 HG3 LYS 25 1HG LYS 25 2.688 -3.579 -5.720
209 HD2 LYS 25 2HD LYS 25 4.155 -4.809 -4.143
210 HD3 LYS 25 1HD LYS 25 3.549 -6.339 -4.773
211 HE2 LYS 25 2HE LYS 25 4.388 -5.749 -7.023
212 HE3 LYS 25 1HE LYS 25 5.009 -4.231 -6.389
213 HZ1 LYS 25 1HZ LYS 25 6.838 -5.612 -6.304
214 HZ2 LYS 25 2HZ LYS 25 5.934 -6.978 -5.854
215 HZ3 LYS 25 3HZ LYS 25 6.236 -5.745 -4.724
216 H VAL 26 H VAL 26 -1.631 -5.044 -4.189
217 HA VAL 26 HA VAL 26 -2.074 -4.814 -1.421
218 HB VAL 26 HB VAL 26 -3.993 -5.009 -3.737
219 HG11 VAL 26 1HG1 VAL 26 -5.241 -5.723 -1.837
220 HG12 VAL 26 2HG1 VAL 26 -5.597 -4.006 -1.996
221 HG13 VAL 26 3HG1 VAL 26 -4.444 -4.560 -0.780
222 HG21 VAL 26 1HG2 VAL 26 -2.425 -3.022 -3.541
223 HG22 VAL 26 2HG2 VAL 26 -3.197 -2.653 -2.000
224 HG23 VAL 26 3HG2 VAL 26 -4.139 -2.605 -3.490
225 H TRP 27 H TRP 27 -2.999 -7.272 -3.759
226 HA TRP 27 HA TRP 27 -4.377 -8.964 -1.956
227 HB2 TRP 27 2HB TRP 27 -2.989 -9.481 -4.580
228 HB3 TRP 27 1HB TRP 27 -3.802 -10.761 -3.681
229 HD1 TRP 27 HD TRP 27 -4.477 -8.270 -6.249
230 HE1 TRP 27 1HE TRP 27 -7.007 -7.831 -6.497
231 HE3 TRP 27 3HE TRP 27 -6.176 -10.504 -1.986
232 HZ2 TRP 27 2HZ TRP 27 -9.435 -8.350 -5.062
233 HZ3 TRP 27 3HZ TRP 27 -8.593 -10.515 -1.447
234 HH2 TRP 27 HH TRP 27 -10.223 -9.444 -2.978
235 H GLU 28 H GLU 28 -0.984 -8.886 -2.987
236 HA GLU 28 HA GLU 28 -0.078 -11.190 -1.709
237 HB2 GLU 28 2HB GLU 28 1.226 -9.841 -3.361
238 HB3 GLU 28 1HB GLU 28 1.474 -8.618 -2.117
239 HG2 GLU 28 2HG GLU 28 3.424 -10.033 -2.123
240 HG3 GLU 28 1HG GLU 28 2.503 -10.429 -0.672
241 H TRP 29 H TRP 29 -0.253 -7.815 -0.446
242 HA TRP 29 HA TRP 29 0.930 -8.524 2.042
243 HB2 TRP 29 2HB TRP 29 -1.059 -6.295 1.779
244 HB3 TRP 29 1HB TRP 29 0.308 -6.424 2.870
245 HD1 TRP 29 HD TRP 29 -0.615 -4.395 0.235
246 HE1 TRP 29 1HE TRP 29 1.330 -3.578 -1.235
247 HE3 TRP 29 3HE TRP 29 3.014 -7.717 1.632
248 HZ2 TRP 29 2HZ TRP 29 4.055 -4.223 -1.737
249 HZ3 TRP 29 3HZ TRP 29 5.269 -7.569 0.652
250 HH2 TRP 29 HH TRP 29 5.802 -5.831 -1.028
251 H LEU 30 H LEU 30 -2.416 -8.419 0.898
252 HA LEU 30 HA LEU 30 -3.611 -8.865 3.423
253 HB2 LEU 30 2HB LEU 30 -4.485 -9.154 0.590
254 HB3 LEU 30 1HB LEU 30 -5.435 -9.998 1.806
255 HG LEU 30 HG LEU 30 -6.145 -7.587 1.190
256 HD11 LEU 30 1HD1 LEU 30 -5.624 -8.068 4.132
257 HD12 LEU 30 2HD1 LEU 30 -6.865 -8.933 3.228
258 HD13 LEU 30 3HD1 LEU 30 -6.954 -7.183 3.394
259 HD21 LEU 30 1HD2 LEU 30 -4.939 -5.776 1.949
260 HD22 LEU 30 2HD2 LEU 30 -3.609 -6.857 1.549
261 HD23 LEU 30 3HD2 LEU 30 -4.134 -6.676 3.226
262 H LYS 31 H LYS 31 -2.497 -11.134 0.965
263 HA LYS 31 HA LYS 31 -3.343 -13.490 2.281
264 HB2 LYS 31 2HB LYS 31 -2.602 -13.382 -0.098
265 HB3 LYS 31 1HB LYS 31 -0.949 -13.133 0.456
266 HG2 LYS 31 2HG LYS 31 -2.370 -15.484 1.623
267 HG3 LYS 31 1HG LYS 31 -1.986 -15.589 -0.092
268 HD2 LYS 31 2HD LYS 31 0.384 -15.066 0.417
269 HD3 LYS 31 1HD LYS 31 -0.004 -15.016 2.132
270 HE2 LYS 31 2HE LYS 31 -0.761 -17.356 2.044
271 HE3 LYS 31 1HE LYS 31 -0.371 -17.416 0.323
272 HZ1 LYS 31 1HZ LYS 31 1.879 -17.275 0.739
273 HZ2 LYS 31 2HZ LYS 31 1.349 -18.249 2.025
274 HZ3 LYS 31 3HZ LYS 31 1.671 -16.601 2.282
275 H SER 32 H SER 32 -0.303 -11.636 2.402
276 HA SER 32 HA SER 32 1.020 -13.396 4.227
277 HB2 SER 32 2HB SER 32 2.640 -11.544 4.489
278 HB3 SER 32 1HB SER 32 2.292 -11.875 2.796
279 HG SER 32 HG SER 32 1.861 -9.632 4.254
280 H GLY 33 H GLY 33 -1.175 -10.704 4.591
281 HA2 GLY 33 2HA GLY 33 -2.466 -10.218 6.477
282 HA3 GLY 33 1HA GLY 33 -1.457 -11.300 7.423
283 H ALA 34 H ALA 34 0.164 -9.005 5.446
284 HA ALA 34 HA ALA 34 1.492 -7.795 7.637
285 HB1 ALA 34 1HB ALA 34 1.293 -6.430 4.974
286 HB2 ALA 34 2HB ALA 34 2.166 -7.958 5.104
287 HB3 ALA 34 3HB ALA 34 2.676 -6.568 6.059
288 H THR 35 H THR 35 1.357 -5.664 8.427
289 HA THR 35 HA THR 35 -1.348 -4.674 8.652
290 HB THR 35 HB THR 35 -0.428 -3.097 10.260
291 HG1 THR 35 1HG THR 35 1.633 -3.062 8.835
292 HG21 THR 35 1HG2 THR 35 -0.804 -5.290 11.141
293 HG22 THR 35 2HG2 THR 35 0.754 -4.753 11.767
294 HG23 THR 35 3HG2 THR 35 0.685 -5.897 10.426
295 H TYR 36 H TYR 36 -1.878 -2.404 8.330
296 HA TYR 36 HA TYR 36 -1.342 -1.539 5.709
297 HB2 TYR 36 2HB TYR 36 -2.235 0.317 7.916
298 HB3 TYR 36 1HB TYR 36 -2.686 0.336 6.217
299 HD1 TYR 36 1HD TYR 36 -3.211 -2.761 6.057
300 HD2 TYR 36 2HD TYR 36 -4.467 0.318 8.778
301 HE1 TYR 36 1HE TYR 36 -5.251 -4.049 6.569
302 HE2 TYR 36 2HE TYR 36 -6.503 -0.985 9.301
303 HH TYR 36 HH TYR 36 -7.820 -2.686 8.539
304 H GLU 37 H GLU 37 0.019 -0.525 8.829
305 HA GLU 37 HA GLU 37 1.530 1.627 7.868
306 HB2 GLU 37 2HB GLU 37 1.994 -0.209 10.214
307 HB3 GLU 37 1HB GLU 37 2.935 1.251 9.902
308 HG2 GLU 37 2HG GLU 37 0.921 2.628 10.023
309 HG3 GLU 37 1HG GLU 37 -0.084 1.191 10.212
310 H GLN 38 H GLN 38 2.520 -1.777 8.363
311 HA GLN 38 HA GLN 38 5.168 -1.412 7.483
312 HB2 GLN 38 2HB GLN 38 4.366 -3.375 8.748
313 HB3 GLN 38 1HB GLN 38 3.477 -3.914 7.325
314 HG2 GLN 38 2HG GLN 38 5.581 -4.027 6.058
315 HG3 GLN 38 1HG GLN 38 6.478 -3.486 7.473
316 HE21 GLN 38 1HE2 GLN 38 7.427 -5.189 8.571
317 HE22 GLN 38 2HE2 GLN 38 6.807 -6.766 8.671
318 H ILE 39 H ILE 39 2.183 -2.200 5.715
319 HA ILE 39 HA ILE 39 3.406 -2.780 3.228
320 HB ILE 39 HB ILE 39 0.635 -1.737 3.858
321 HG12 ILE 39 2HG1 ILE 39 1.518 -4.506 3.040
322 HG13 ILE 39 1HG1 ILE 39 1.500 -4.025 4.726
323 HG21 ILE 39 1HG2 ILE 39 1.863 -2.842 1.308
324 HG22 ILE 39 2HG2 ILE 39 1.143 -1.244 1.529
325 HG23 ILE 39 3HG2 ILE 39 0.128 -2.683 1.569
326 HD11 ILE 39 1HD1 ILE 39 -0.956 -3.306 4.289
327 HD12 ILE 39 2HD1 ILE 39 -0.625 -5.025 4.404
328 HD13 ILE 39 3HD1 ILE 39 -0.833 -4.273 2.822
329 H LYS 40 H LYS 40 2.129 0.334 4.555
330 HA LYS 40 HA LYS 40 2.775 1.703 2.132
331 HB2 LYS 40 2HB LYS 40 2.706 3.844 3.273
332 HB3 LYS 40 1HB LYS 40 1.240 2.874 3.617
333 HG2 LYS 40 2HG LYS 40 2.148 2.243 5.784
334 HG3 LYS 40 1HG LYS 40 3.655 3.095 5.444
335 HD2 LYS 40 2HD LYS 40 2.282 5.204 5.144
336 HD3 LYS 40 1HD LYS 40 0.887 4.309 5.754
337 HE2 LYS 40 2HE LYS 40 2.026 3.905 7.872
338 HE3 LYS 40 1HE LYS 40 3.497 4.662 7.264
339 HZ1 LYS 40 1HZ LYS 40 1.017 6.221 7.148
340 HZ2 LYS 40 2HZ LYS 40 2.616 6.731 7.423
341 HZ3 LYS 40 3HZ LYS 40 1.732 5.998 8.672
342 H GLU 41 H GLU 41 4.556 1.003 5.095
343 HA GLU 41 HA GLU 41 6.739 2.676 4.720
344 HB2 GLU 41 2HB GLU 41 6.377 1.318 6.755
345 HB3 GLU 41 1HB GLU 41 6.753 -0.142 5.834
346 HG2 GLU 41 2HG GLU 41 8.991 0.762 5.324
347 HG3 GLU 41 1HG GLU 41 8.613 2.215 6.254
348 H TRP 42 H TRP 42 6.257 -0.688 3.531
349 HA TRP 42 HA TRP 42 8.714 -0.844 2.123
350 HB2 TRP 42 2HB TRP 42 6.058 -2.215 1.573
351 HB3 TRP 42 1HB TRP 42 7.574 -2.636 0.790
352 HD1 TRP 42 HD TRP 42 9.406 -2.501 3.484
353 HE1 TRP 42 1HE TRP 42 9.197 -4.420 5.178
354 HE3 TRP 42 3HE TRP 42 4.830 -4.361 2.166
355 HZ2 TRP 42 2HZ TRP 42 7.354 -6.484 5.885
356 HZ3 TRP 42 3HZ TRP 42 3.883 -6.307 3.368
357 HH2 TRP 42 HH TRP 42 5.135 -7.377 5.226
358 H ILE 43 H ILE 43 5.470 0.199 1.137
359 HA ILE 43 HA ILE 43 6.055 0.571 -1.594
360 HB ILE 43 HB ILE 43 3.979 1.836 0.200
361 HG12 ILE 43 2HG1 ILE 43 3.683 -0.261 -1.962
362 HG13 ILE 43 1HG1 ILE 43 3.924 -0.673 -0.262
363 HG21 ILE 43 1HG2 ILE 43 2.862 2.349 -2.035
364 HG22 ILE 43 2HG2 ILE 43 4.433 2.043 -2.776
365 HG23 ILE 43 3HG2 ILE 43 4.246 3.355 -1.610
366 HD11 ILE 43 1HD1 ILE 43 1.516 -0.649 -0.865
367 HD12 ILE 43 2HD1 ILE 43 1.665 1.046 -1.342
368 HD13 ILE 43 3HD1 ILE 43 1.899 0.579 0.345
369 H GLU 44 H GLU 44 6.131 2.913 1.089
370 HA GLU 44 HA GLU 44 6.788 5.047 -0.591
371 HB2 GLU 44 2HB GLU 44 7.305 6.301 1.506
372 HB3 GLU 44 1HB GLU 44 5.721 5.514 1.517
373 HG2 GLU 44 2HG GLU 44 6.474 4.948 3.602
374 HG3 GLU 44 1HG GLU 44 7.021 3.596 2.663
375 H ASN 45 H ASN 45 8.827 2.659 1.161
376 HA ASN 45 HA ASN 45 11.285 3.965 0.677
377 HB2 ASN 45 2HB ASN 45 10.509 1.086 1.137
378 HB3 ASN 45 1HB ASN 45 12.182 1.557 0.845
379 HD21 ASN 45 1HD2 ASN 45 11.422 0.451 3.348
380 HD22 ASN 45 2HD2 ASN 45 11.538 1.661 4.534
381 H ALA 46 H ALA 46 9.426 1.604 -1.227
382 HA ALA 46 HA ALA 46 11.322 1.293 -3.319
383 HB1 ALA 46 1HB ALA 46 9.488 0.346 -4.592
384 HB2 ALA 46 2HB ALA 46 8.307 1.066 -3.498
385 HB3 ALA 46 3HB ALA 46 9.369 -0.218 -2.926
386 H LEU 47 H LEU 47 8.562 3.497 -2.882
387 HA LEU 47 HA LEU 47 8.602 4.725 -5.373
388 HB2 LEU 47 2HB LEU 47 6.986 4.909 -3.287
389 HB3 LEU 47 1HB LEU 47 8.000 6.280 -2.880
390 HG LEU 47 HG LEU 47 6.206 7.199 -4.122
391 HD11 LEU 47 1HD1 LEU 47 8.543 7.871 -4.852
392 HD12 LEU 47 2HD1 LEU 47 7.259 8.185 -6.015
393 HD13 LEU 47 3HD1 LEU 47 8.329 6.804 -6.239
394 HD21 LEU 47 1HD2 LEU 47 5.544 4.871 -5.050
395 HD22 LEU 47 2HD2 LEU 47 6.627 5.247 -6.394
396 HD23 LEU 47 3HD2 LEU 47 5.234 6.277 -6.067
397 H GLY 48 H GLY 48 10.367 5.553 -2.381
398 HA2 GLY 48 2HA GLY 48 11.636 7.880 -3.383
399 HA3 GLY 48 1HA GLY 48 12.155 6.949 -1.980
400 H TRP 49 H TRP 49 12.668 4.471 -3.227
401 HA TRP 49 HA TRP 49 14.622 5.026 -5.342
402 HB2 TRP 49 2HB TRP 49 16.461 4.041 -4.183
403 HB3 TRP 49 1HB TRP 49 15.755 5.208 -3.067
404 HD1 TRP 49 HD TRP 49 14.451 4.307 -0.977
405 HE1 TRP 49 1HE TRP 49 14.362 2.000 0.167
406 HE3 TRP 49 3HE TRP 49 16.594 1.424 -4.617
407 HZ2 TRP 49 2HZ TRP 49 15.098 -0.704 -0.383
408 HZ3 TRP 49 3HZ TRP 49 16.891 -1.014 -4.274
409 HH2 TRP 49 HH TRP 49 16.146 -2.079 -2.162
410 H ARG 50 H ARG 50 15.344 3.100 -6.434
411 HA ARG 50 HA ARG 50 13.866 0.623 -5.879
412 HB2 ARG 50 2HB ARG 50 12.484 1.901 -7.505
413 HB3 ARG 50 1HB ARG 50 13.866 1.953 -8.602
414 HG2 ARG 50 2HG ARG 50 13.924 -0.506 -8.671
415 HG3 ARG 50 1HG ARG 50 12.557 -0.575 -7.554
416 HD2 ARG 50 2HD ARG 50 11.145 0.599 -9.171
417 HD3 ARG 50 1HD ARG 50 12.506 0.757 -10.279
418 HE ARG 50 HE ARG 50 12.276 -1.516 -10.828
419 HH11 ARG 50 1HH1 ARG 50 11.059 -3.433 -10.850
420 HH12 ARG 50 2HH1 ARG 50 9.779 -3.654 -9.704
421 HH21 ARG 50 1HH2 ARG 50 10.251 -0.572 -8.187
422 HH22 ARG 50 2HH2 ARG 50 9.315 -2.029 -8.204
Start of MODEL 7
1 H FME 1 H FME 1 -11.566 -5.044 1.871
2 HCN FME 1 HF FME 1 -11.598 -4.141 4.027
3 HA FME 1 HA FME 1 -9.117 -3.970 1.195
4 HB2 FME 1 1HB FME 1 -11.519 -4.112 -0.635
5 HB3 FME 1 2HB FME 1 -10.472 -5.477 -0.252
6 HG2 FME 1 1HG FME 1 -8.539 -3.910 -1.030
7 HG3 FME 1 2HG FME 1 -9.824 -2.969 -1.793
8 HE1 FME 1 1HE FME 1 -8.515 -4.627 -4.894
9 HE2 FME 1 2HE FME 1 -7.413 -4.422 -3.536
10 HE3 FME 1 3HE FME 1 -8.634 -3.195 -3.865
11 H ALA 2 H ALA 2 -12.299 -2.424 1.039
12 HA ALA 2 HA ALA 2 -11.434 0.020 -0.072
13 HB1 ALA 2 1HB ALA 2 -13.547 0.915 0.685
14 HB2 ALA 2 2HB ALA 2 -13.729 -0.386 1.864
15 HB3 ALA 2 3HB ALA 2 -13.823 -0.737 0.137
16 H GLY 3 H GLY 3 -11.694 -1.105 3.297
17 HA2 GLY 3 2HA GLY 3 -11.045 1.344 4.552
18 HA3 GLY 3 1HA GLY 3 -10.795 -0.252 5.254
19 H LEU 4 H LEU 4 -9.051 -1.303 3.345
20 HA LEU 4 HA LEU 4 -6.553 -0.420 4.267
21 HB2 LEU 4 2HB LEU 4 -7.035 -2.676 3.438
22 HB3 LEU 4 1HB LEU 4 -7.357 -2.052 1.836
23 HG LEU 4 HG LEU 4 -5.061 -3.204 2.419
24 HD11 LEU 4 1HD1 LEU 4 -5.289 -0.681 0.779
25 HD12 LEU 4 2HD1 LEU 4 -5.579 -2.324 0.241
26 HD13 LEU 4 3HD1 LEU 4 -3.955 -1.818 0.686
27 HD21 LEU 4 1HD2 LEU 4 -3.312 -1.803 3.167
28 HD22 LEU 4 2HD2 LEU 4 -4.611 -1.558 4.319
29 HD23 LEU 4 3HD2 LEU 4 -4.301 -0.360 3.073
30 H LEU 5 H LEU 5 -8.290 0.202 1.250
31 HA LEU 5 HA LEU 5 -6.298 1.792 0.039
32 HB2 LEU 5 2HB LEU 5 -9.292 1.701 -0.310
33 HB3 LEU 5 1HB LEU 5 -8.222 2.661 -1.332
34 HG LEU 5 HG LEU 5 -7.958 -0.325 -0.914
35 HD11 LEU 5 1HD1 LEU 5 -10.060 0.275 -2.108
36 HD12 LEU 5 2HD1 LEU 5 -8.918 -0.549 -3.170
37 HD13 LEU 5 3HD1 LEU 5 -9.115 1.200 -3.276
38 HD21 LEU 5 1HD2 LEU 5 -5.850 0.326 -1.616
39 HD22 LEU 5 2HD2 LEU 5 -6.447 1.760 -2.452
40 HD23 LEU 5 3HD2 LEU 5 -6.631 0.168 -3.180
41 H ARG 6 H ARG 6 -9.074 2.637 2.067
42 HA ARG 6 HA ARG 6 -8.772 5.436 1.903
43 HB2 ARG 6 2HB ARG 6 -10.762 4.304 2.845
44 HB3 ARG 6 1HB ARG 6 -9.814 3.823 4.246
45 HG2 ARG 6 2HG ARG 6 -9.777 6.731 3.570
46 HG3 ARG 6 1HG ARG 6 -11.304 6.090 4.167
47 HD2 ARG 6 2HD ARG 6 -10.105 5.149 6.141
48 HD3 ARG 6 1HD ARG 6 -8.622 5.901 5.574
49 HE ARG 6 HE ARG 6 -10.706 7.838 5.785
50 HH11 ARG 6 1HH1 ARG 6 -10.546 9.322 7.502
51 HH12 ARG 6 2HH1 ARG 6 -9.554 8.948 8.872
52 HH21 ARG 6 1HH2 ARG 6 -8.546 5.867 7.614
53 HH22 ARG 6 2HH2 ARG 6 -8.404 6.983 8.930
54 H PHE 7 H PHE 7 -7.388 3.081 4.169
55 HA PHE 7 HA PHE 7 -6.114 4.885 5.878
56 HB2 PHE 7 2HB PHE 7 -6.420 2.450 6.299
57 HB3 PHE 7 1HB PHE 7 -5.179 2.118 5.090
58 HD1 PHE 7 1HD PHE 7 -2.867 2.310 5.612
59 HD2 PHE 7 2HD PHE 7 -5.817 3.830 8.337
60 HE1 PHE 7 1HE PHE 7 -1.115 2.607 7.341
61 HE2 PHE 7 2HE PHE 7 -4.065 4.119 10.065
62 HZ PHE 7 HZ PHE 7 -1.717 3.504 9.570
63 H LEU 8 H LEU 8 -4.944 3.268 2.933
64 HA LEU 8 HA LEU 8 -2.337 4.366 3.078
65 HB2 LEU 8 2HB LEU 8 -3.963 3.356 0.745
66 HB3 LEU 8 1HB LEU 8 -2.291 3.882 0.586
67 HG LEU 8 HG LEU 8 -3.025 1.847 2.684
68 HD11 LEU 8 1HD1 LEU 8 -2.684 0.046 1.107
69 HD12 LEU 8 2HD1 LEU 8 -2.278 1.182 -0.177
70 HD13 LEU 8 3HD1 LEU 8 -3.926 1.103 0.437
71 HD21 LEU 8 1HD2 LEU 8 -0.509 1.808 1.038
72 HD22 LEU 8 2HD2 LEU 8 -0.752 1.395 2.733
73 HD23 LEU 8 3HD2 LEU 8 -0.683 3.076 2.244
74 H LEU 9 H LEU 9 -5.300 5.538 1.510
75 HA LEU 9 HA LEU 9 -4.157 7.763 0.194
76 HB2 LEU 9 2HB LEU 9 -6.406 6.889 -0.246
77 HB3 LEU 9 1HB LEU 9 -6.948 7.483 1.312
78 HG LEU 9 HG LEU 9 -6.309 9.801 0.613
79 HD11 LEU 9 1HD1 LEU 9 -4.678 9.655 -1.037
80 HD12 LEU 9 2HD1 LEU 9 -6.102 9.922 -2.039
81 HD13 LEU 9 3HD1 LEU 9 -5.458 8.290 -1.835
82 HD21 LEU 9 1HD2 LEU 9 -8.213 8.362 -1.269
83 HD22 LEU 9 2HD2 LEU 9 -8.183 10.102 -0.976
84 HD23 LEU 9 3HD2 LEU 9 -8.629 8.998 0.323
85 H SER 10 H SER 10 -5.623 7.453 3.426
86 HA SER 10 HA SER 10 -5.460 10.175 4.129
87 HB2 SER 10 2HB SER 10 -6.765 8.516 5.424
88 HB3 SER 10 1HB SER 10 -5.264 7.749 5.933
89 HG SER 10 HG SER 10 -5.526 9.138 7.522
90 H LYS 11 H LYS 11 -3.132 7.499 4.426
91 HA LYS 11 HA LYS 11 -1.212 9.081 5.878
92 HB2 LYS 11 2HB LYS 11 -0.897 6.533 4.285
93 HB3 LYS 11 1HB LYS 11 0.365 7.234 5.293
94 HG2 LYS 11 2HG LYS 11 -2.381 6.467 6.329
95 HG3 LYS 11 1HG LYS 11 -0.970 5.412 6.426
96 HD2 LYS 11 2HD LYS 11 0.169 7.483 7.574
97 HD3 LYS 11 1HD LYS 11 -1.486 8.017 7.851
98 HE2 LYS 11 2HE LYS 11 -0.471 5.284 8.649
99 HE3 LYS 11 1HE LYS 11 -0.516 6.674 9.738
100 HZ1 LYS 11 1HZ LYS 11 -2.490 5.234 9.905
101 HZ2 LYS 11 2HZ LYS 11 -2.877 5.604 8.295
102 HZ3 LYS 11 3HZ LYS 11 -2.872 6.829 9.472
103 H GLY 12 H GLY 12 -1.551 8.234 2.452
104 HA2 GLY 12 2HA GLY 12 -0.245 10.644 1.629
105 HA3 GLY 12 1HA GLY 12 0.783 9.235 1.406
106 H ARG 13 H ARG 13 -0.263 10.929 -0.654
107 HA ARG 13 HA ARG 13 -2.441 9.592 -1.984
108 HB2 ARG 13 2HB ARG 13 -0.491 11.755 -2.792
109 HB3 ARG 13 1HB ARG 13 -1.729 11.134 -3.887
110 HG2 ARG 13 2HG ARG 13 -3.468 11.722 -2.212
111 HG3 ARG 13 1HG ARG 13 -2.212 12.373 -1.160
112 HD2 ARG 13 2HD ARG 13 -1.596 14.003 -2.922
113 HD3 ARG 13 1HD ARG 13 -2.888 13.374 -3.942
114 HE ARG 13 HE ARG 13 -3.208 15.060 -1.576
115 HH11 ARG 13 1HH1 ARG 13 -5.335 15.870 -1.290
116 HH12 ARG 13 2HH1 ARG 13 -6.636 15.196 -2.216
117 HH21 ARG 13 1HH2 ARG 13 -4.601 12.913 -3.885
118 HH22 ARG 13 2HH2 ARG 13 -6.218 13.503 -3.690
119 H ALA 14 H ALA 14 1.036 9.571 -2.041
120 HA ALA 14 HA ALA 14 1.474 8.205 -4.440
121 HB1 ALA 14 1HB ALA 14 3.407 9.107 -3.576
122 HB2 ALA 14 2HB ALA 14 3.608 7.436 -3.055
123 HB3 ALA 14 3HB ALA 14 3.004 8.648 -1.925
124 H LEU 15 H LEU 15 1.008 6.964 -1.140
125 HA LEU 15 HA LEU 15 1.448 4.246 -1.699
126 HB2 LEU 15 2HB LEU 15 -0.478 5.389 0.324
127 HB3 LEU 15 1HB LEU 15 0.353 3.839 0.384
128 HG LEU 15 HG LEU 15 1.803 6.494 0.359
129 HD11 LEU 15 1HD1 LEU 15 2.158 5.902 2.842
130 HD12 LEU 15 2HD1 LEU 15 0.784 4.813 2.652
131 HD13 LEU 15 3HD1 LEU 15 0.586 6.546 2.385
132 HD21 LEU 15 1HD2 LEU 15 3.557 4.898 1.458
133 HD22 LEU 15 2HD2 LEU 15 3.335 4.835 -0.285
134 HD23 LEU 15 3HD2 LEU 15 2.594 3.608 0.739
135 H TYR 16 H TYR 16 -1.493 6.238 -1.789
136 HA TYR 16 HA TYR 16 -3.353 4.184 -2.337
137 HB2 TYR 16 2HB TYR 16 -4.104 6.391 -1.649
138 HB3 TYR 16 1HB TYR 16 -3.423 7.110 -3.109
139 HD1 TYR 16 1HD TYR 16 -4.680 7.187 -5.114
140 HD2 TYR 16 2HD TYR 16 -5.892 4.564 -1.934
141 HE1 TYR 16 1HE TYR 16 -6.779 6.680 -6.330
142 HE2 TYR 16 2HE TYR 16 -7.993 4.065 -3.151
143 HH TYR 16 HH TYR 16 -8.448 4.798 -6.392
144 H ASN 17 H ASN 17 -1.505 6.315 -4.480
145 HA ASN 17 HA ASN 17 -2.595 5.409 -6.912
146 HB2 ASN 17 2HB ASN 17 -1.256 7.464 -6.758
147 HB3 ASN 17 1HB ASN 17 0.173 6.514 -6.356
148 HD21 ASN 17 1HD2 ASN 17 0.280 8.145 -8.636
149 HD22 ASN 17 2HD2 ASN 17 0.254 7.173 -10.028
150 H TRP 18 H TRP 18 0.225 4.292 -5.052
151 HA TRP 18 HA TRP 18 1.138 2.373 -6.886
152 HB2 TRP 18 2HB TRP 18 2.536 3.024 -5.049
153 HB3 TRP 18 1HB TRP 18 1.315 2.528 -3.875
154 HD1 TRP 18 HD TRP 18 1.133 0.034 -3.264
155 HE1 TRP 18 1HE TRP 18 2.542 -2.047 -3.821
156 HE3 TRP 18 3HE TRP 18 4.049 1.919 -6.995
157 HZ2 TRP 18 2HZ TRP 18 4.628 -2.813 -5.601
158 HZ3 TRP 18 3HZ TRP 18 5.742 0.493 -8.103
159 HH2 TRP 18 HH TRP 18 6.036 -1.871 -7.412
160 H ALA 19 H ALA 19 -1.179 2.101 -4.198
161 HA ALA 19 HA ALA 19 -1.613 -0.676 -4.391
162 HB1 ALA 19 1HB ALA 19 -3.880 -0.071 -3.321
163 HB2 ALA 19 2HB ALA 19 -3.284 1.590 -3.314
164 HB3 ALA 19 3HB ALA 19 -2.417 0.339 -2.424
165 H LYS 20 H LYS 20 -3.226 2.058 -5.945
166 HA LYS 20 HA LYS 20 -5.266 0.576 -7.232
167 HB2 LYS 20 2HB LYS 20 -5.264 3.061 -6.945
168 HB3 LYS 20 1HB LYS 20 -3.985 3.160 -8.159
169 HG2 LYS 20 2HG LYS 20 -5.436 2.141 -9.834
170 HG3 LYS 20 1HG LYS 20 -6.701 1.901 -8.629
171 HD2 LYS 20 2HD LYS 20 -6.853 4.344 -8.299
172 HD3 LYS 20 1HD LYS 20 -5.609 4.586 -9.527
173 HE2 LYS 20 2HE LYS 20 -8.275 3.216 -9.991
174 HE3 LYS 20 1HE LYS 20 -7.897 4.874 -10.455
175 HZ1 LYS 20 1HZ LYS 20 -6.901 2.352 -11.578
176 HZ2 LYS 20 2HZ LYS 20 -5.900 3.723 -11.637
177 HZ3 LYS 20 3HZ LYS 20 -7.429 3.752 -12.376
178 H SER 21 H SER 21 -2.033 1.608 -8.274
179 HA SER 21 HA SER 21 -2.155 0.691 -10.916
180 HB2 SER 21 2HB SER 21 -0.409 2.174 -10.426
181 HB3 SER 21 1HB SER 21 0.134 1.226 -9.044
182 HG SER 21 HG SER 21 0.250 -0.428 -11.021
183 H HIS 22 H HIS 22 -1.049 -0.959 -7.952
184 HA HIS 22 HA HIS 22 -1.061 -3.492 -9.514
185 HB2 HIS 22 2HB HIS 22 0.878 -2.571 -7.385
186 HB3 HIS 22 1HB HIS 22 0.712 -4.261 -7.870
187 HD1 HIS 22 1HD HIS 22 1.723 -0.887 -9.221
188 HD2 HIS 22 2HD HIS 22 1.816 -4.883 -10.400
189 HE1 HIS 22 1HE HIS 22 3.150 -0.983 -11.309
190 HE2 HIS 22 2HE HIS 22 3.212 -3.413 -12.045
191 H VAL 23 H VAL 23 -3.224 -3.850 -8.862
192 HA VAL 23 HA VAL 23 -4.065 -3.860 -6.151
193 HB VAL 23 HB VAL 23 -5.979 -5.203 -6.973
194 HG11 VAL 23 1HG1 VAL 23 -6.610 -3.545 -8.849
195 HG12 VAL 23 2HG1 VAL 23 -5.040 -2.805 -8.536
196 HG13 VAL 23 3HG1 VAL 23 -6.253 -2.877 -7.258
197 HG21 VAL 23 1HG2 VAL 23 -4.348 -5.227 -9.533
198 HG22 VAL 23 2HG2 VAL 23 -6.046 -5.699 -9.433
199 HG23 VAL 23 3HG2 VAL 23 -4.821 -6.630 -8.572
200 H GLY 24 H GLY 24 -2.277 -6.018 -8.116
201 HA2 GLY 24 2HA GLY 24 -2.699 -8.454 -6.746
202 HA3 GLY 24 1HA GLY 24 -1.293 -8.060 -7.737
203 H LYS 25 H LYS 25 -0.357 -5.795 -6.257
204 HA LYS 25 HA LYS 25 1.194 -7.070 -4.272
205 HB2 LYS 25 2HB LYS 25 0.574 -4.133 -4.697
206 HB3 LYS 25 1HB LYS 25 1.811 -4.742 -3.599
207 HG2 LYS 25 2HG LYS 25 1.843 -5.679 -6.448
208 HG3 LYS 25 1HG LYS 25 2.435 -4.055 -6.092
209 HD2 LYS 25 2HD LYS 25 4.075 -4.922 -4.539
210 HD3 LYS 25 1HD LYS 25 3.390 -6.545 -4.652
211 HE2 LYS 25 2HE LYS 25 5.392 -6.406 -6.045
212 HE3 LYS 25 1HE LYS 25 3.969 -6.590 -7.071
213 HZ1 LYS 25 1HZ LYS 25 4.972 -4.848 -8.104
214 HZ2 LYS 25 2HZ LYS 25 5.696 -4.259 -6.685
215 HZ3 LYS 25 3HZ LYS 25 4.046 -3.979 -6.981
216 H VAL 26 H VAL 26 -1.741 -5.109 -4.102
217 HA VAL 26 HA VAL 26 -1.967 -4.867 -1.319
218 HB VAL 26 HB VAL 26 -4.050 -4.925 -3.506
219 HG11 VAL 26 1HG1 VAL 26 -4.299 -4.391 -0.541
220 HG12 VAL 26 2HG1 VAL 26 -5.270 -5.474 -1.540
221 HG13 VAL 26 3HG1 VAL 26 -5.442 -3.726 -1.706
222 HG21 VAL 26 1HG2 VAL 26 -3.066 -2.582 -1.869
223 HG22 VAL 26 2HG2 VAL 26 -3.945 -2.550 -3.397
224 HG23 VAL 26 3HG2 VAL 26 -2.262 -3.073 -3.361
225 H TRP 27 H TRP 27 -3.271 -7.231 -3.567
226 HA TRP 27 HA TRP 27 -4.656 -8.817 -1.700
227 HB2 TRP 27 2HB TRP 27 -3.506 -9.360 -4.430
228 HB3 TRP 27 1HB TRP 27 -4.280 -10.639 -3.494
229 HD1 TRP 27 HD TRP 27 -5.357 -6.943 -3.714
230 HE1 TRP 27 1HE TRP 27 -7.782 -6.861 -4.590
231 HE3 TRP 27 3HE TRP 27 -6.143 -11.905 -4.644
232 HZ2 TRP 27 2HZ TRP 27 -9.791 -8.654 -5.542
233 HZ3 TRP 27 3HZ TRP 27 -8.327 -12.689 -5.525
234 HH2 TRP 27 HH TRP 27 -10.152 -11.069 -5.974
235 H GLU 28 H GLU 28 -1.341 -9.037 -2.965
236 HA GLU 28 HA GLU 28 -0.554 -11.404 -1.731
237 HB2 GLU 28 2HB GLU 28 0.615 -9.856 -3.492
238 HB3 GLU 28 1HB GLU 28 1.346 -9.111 -2.072
239 HG2 GLU 28 2HG GLU 28 1.427 -12.075 -2.693
240 HG3 GLU 28 1HG GLU 28 2.744 -10.940 -3.012
241 H TRP 29 H TRP 29 -0.287 -8.033 -0.522
242 HA TRP 29 HA TRP 29 1.040 -8.802 1.878
243 HB2 TRP 29 2HB TRP 29 -0.713 -6.371 1.644
244 HB3 TRP 29 1HB TRP 29 0.666 -6.616 2.707
245 HD1 TRP 29 HD TRP 29 -0.128 -4.636 -0.024
246 HE1 TRP 29 1HE TRP 29 1.833 -4.150 -1.614
247 HE3 TRP 29 3HE TRP 29 3.188 -8.214 1.519
248 HZ2 TRP 29 2HZ TRP 29 4.453 -5.120 -2.147
249 HZ3 TRP 29 3HZ TRP 29 5.398 -8.391 0.455
250 HH2 TRP 29 HH TRP 29 6.040 -6.858 -1.374
251 H LEU 30 H LEU 30 -2.382 -8.393 1.057
252 HA LEU 30 HA LEU 30 -3.327 -8.703 3.722
253 HB2 LEU 30 2HB LEU 30 -4.569 -8.901 1.011
254 HB3 LEU 30 1HB LEU 30 -5.441 -9.628 2.356
255 HG LEU 30 HG LEU 30 -5.187 -7.412 3.579
256 HD11 LEU 30 1HD1 LEU 30 -4.648 -6.234 0.862
257 HD12 LEU 30 2HD1 LEU 30 -3.313 -6.695 1.911
258 HD13 LEU 30 3HD1 LEU 30 -4.466 -5.487 2.445
259 HD21 LEU 30 1HD2 LEU 30 -7.078 -6.435 2.440
260 HD22 LEU 30 2HD2 LEU 30 -7.244 -8.189 2.359
261 HD23 LEU 30 3HD2 LEU 30 -6.684 -7.288 0.948
262 H LYS 31 H LYS 31 -2.719 -11.076 1.132
263 HA LYS 31 HA LYS 31 -3.664 -13.309 2.576
264 HB2 LYS 31 2HB LYS 31 -1.602 -13.052 0.386
265 HB3 LYS 31 1HB LYS 31 -2.166 -14.599 1.014
266 HG2 LYS 31 2HG LYS 31 -4.485 -14.020 0.408
267 HG3 LYS 31 1HG LYS 31 -3.942 -12.454 -0.197
268 HD2 LYS 31 2HD LYS 31 -2.489 -13.628 -1.845
269 HD3 LYS 31 1HD LYS 31 -3.133 -15.170 -1.277
270 HE2 LYS 31 2HE LYS 31 -4.839 -12.922 -2.385
271 HE3 LYS 31 1HE LYS 31 -4.294 -14.312 -3.328
272 HZ1 LYS 31 1HZ LYS 31 -6.230 -15.171 -2.593
273 HZ2 LYS 31 2HZ LYS 31 -6.301 -14.163 -1.228
274 HZ3 LYS 31 3HZ LYS 31 -5.310 -15.542 -1.218
275 H SER 32 H SER 32 -0.429 -11.832 2.346
276 HA SER 32 HA SER 32 0.942 -13.737 3.897
277 HB2 SER 32 2HB SER 32 2.081 -12.074 2.513
278 HB3 SER 32 1HB SER 32 1.497 -10.784 3.562
279 HG SER 32 HG SER 32 3.617 -11.472 4.110
280 H GLY 33 H GLY 33 -0.760 -10.759 4.836
281 HA2 GLY 33 2HA GLY 33 -1.945 -10.702 6.961
282 HA3 GLY 33 1HA GLY 33 -0.664 -11.697 7.651
283 H ALA 34 H ALA 34 0.534 -9.359 5.524
284 HA ALA 34 HA ALA 34 1.970 -7.983 7.540
285 HB1 ALA 34 1HB ALA 34 1.525 -7.575 4.600
286 HB2 ALA 34 2HB ALA 34 3.019 -7.935 5.463
287 HB3 ALA 34 3HB ALA 34 2.323 -6.317 5.547
288 H THR 35 H THR 35 1.758 -5.807 8.254
289 HA THR 35 HA THR 35 -1.013 -4.984 8.552
290 HB THR 35 HB THR 35 -0.133 -3.334 10.128
291 HG1 THR 35 1HG THR 35 2.035 -3.078 10.363
292 HG21 THR 35 1HG2 THR 35 -0.495 -5.545 11.036
293 HG22 THR 35 2HG2 THR 35 1.031 -4.946 11.690
294 HG23 THR 35 3HG2 THR 35 1.035 -6.116 10.371
295 H TYR 36 H TYR 36 -1.658 -2.746 8.243
296 HA TYR 36 HA TYR 36 -1.175 -1.838 5.620
297 HB2 TYR 36 2HB TYR 36 -2.199 -0.050 7.800
298 HB3 TYR 36 1HB TYR 36 -2.646 -0.082 6.094
299 HD1 TYR 36 1HD TYR 36 -3.196 -2.905 5.528
300 HD2 TYR 36 2HD TYR 36 -4.053 -0.597 9.048
301 HE1 TYR 36 1HE TYR 36 -5.072 -4.439 6.086
302 HE2 TYR 36 2HE TYR 36 -5.915 -2.125 9.604
303 HH TYR 36 HH TYR 36 -6.293 -5.080 8.441
304 H GLU 37 H GLU 37 0.143 -0.811 8.723
305 HA GLU 37 HA GLU 37 1.526 1.447 7.787
306 HB2 GLU 37 2HB GLU 37 2.035 -0.393 10.110
307 HB3 GLU 37 1HB GLU 37 2.928 1.107 9.833
308 HG2 GLU 37 2HG GLU 37 0.856 2.397 9.926
309 HG3 GLU 37 1HG GLU 37 -0.083 0.911 10.099
310 H GLN 38 H GLN 38 2.671 -1.879 8.376
311 HA GLN 38 HA GLN 38 5.301 -1.457 7.518
312 HB2 GLN 38 2HB GLN 38 4.500 -3.443 8.723
313 HB3 GLN 38 1HB GLN 38 3.677 -3.993 7.270
314 HG2 GLN 38 2HG GLN 38 5.845 -4.048 6.080
315 HG3 GLN 38 1HG GLN 38 6.664 -3.532 7.552
316 HE21 GLN 38 1HE2 GLN 38 7.604 -5.244 8.591
317 HE22 GLN 38 2HE2 GLN 38 6.986 -6.821 8.655
318 H ILE 39 H ILE 39 2.401 -2.333 5.646
319 HA ILE 39 HA ILE 39 3.821 -2.792 3.237
320 HB ILE 39 HB ILE 39 0.923 -2.025 3.584
321 HG12 ILE 39 2HG1 ILE 39 1.991 -4.799 3.111
322 HG13 ILE 39 1HG1 ILE 39 1.982 -4.155 4.738
323 HG21 ILE 39 1HG2 ILE 39 2.224 -3.563 1.327
324 HG22 ILE 39 2HG2 ILE 39 1.952 -1.824 1.238
325 HG23 ILE 39 3HG2 ILE 39 0.581 -2.926 1.394
326 HD11 ILE 39 1HD1 ILE 39 -0.480 -3.634 4.430
327 HD12 ILE 39 2HD1 ILE 39 -0.109 -5.349 4.415
328 HD13 ILE 39 3HD1 ILE 39 -0.406 -4.495 2.902
329 H LYS 40 H LYS 40 2.264 0.240 4.496
330 HA LYS 40 HA LYS 40 2.897 1.611 2.059
331 HB2 LYS 40 2HB LYS 40 2.747 3.741 3.250
332 HB3 LYS 40 1HB LYS 40 1.299 2.737 3.510
333 HG2 LYS 40 2HG LYS 40 2.103 2.100 5.707
334 HG3 LYS 40 1HG LYS 40 3.640 2.912 5.437
335 HD2 LYS 40 2HD LYS 40 2.384 5.064 5.145
336 HD3 LYS 40 1HD LYS 40 0.908 4.216 5.608
337 HE2 LYS 40 2HE LYS 40 1.824 3.712 7.799
338 HE3 LYS 40 1HE LYS 40 3.394 4.351 7.338
339 HZ1 LYS 40 1HZ LYS 40 1.318 5.747 8.490
340 HZ2 LYS 40 2HZ LYS 40 1.338 6.256 6.869
341 HZ3 LYS 40 3HZ LYS 40 2.736 6.399 7.827
342 H GLU 41 H GLU 41 4.601 0.959 5.066
343 HA GLU 41 HA GLU 41 6.704 2.735 4.748
344 HB2 GLU 41 2HB GLU 41 6.328 1.409 6.755
345 HB3 GLU 41 1HB GLU 41 6.812 -0.043 5.873
346 HG2 GLU 41 2HG GLU 41 9.029 0.924 5.453
347 HG3 GLU 41 1HG GLU 41 8.560 2.407 6.275
348 H TRP 42 H TRP 42 6.418 -0.631 3.570
349 HA TRP 42 HA TRP 42 8.914 -0.685 2.231
350 HB2 TRP 42 2HB TRP 42 6.326 -2.116 1.604
351 HB3 TRP 42 1HB TRP 42 7.866 -2.472 0.836
352 HD1 TRP 42 HD TRP 42 9.639 -2.306 3.619
353 HE1 TRP 42 1HE TRP 42 9.451 -4.289 5.253
354 HE3 TRP 42 3HE TRP 42 5.198 -4.304 2.086
355 HZ2 TRP 42 2HZ TRP 42 7.645 -6.457 5.836
356 HZ3 TRP 42 3HZ TRP 42 4.255 -6.309 3.196
357 HH2 TRP 42 HH TRP 42 5.470 -7.390 5.070
358 H ILE 43 H ILE 43 5.656 0.251 1.166
359 HA ILE 43 HA ILE 43 6.324 0.646 -1.542
360 HB ILE 43 HB ILE 43 4.168 1.871 0.174
361 HG12 ILE 43 2HG1 ILE 43 4.013 -0.260 -1.973
362 HG13 ILE 43 1HG1 ILE 43 4.171 -0.627 -0.253
363 HG21 ILE 43 1HG2 ILE 43 4.494 3.379 -1.685
364 HG22 ILE 43 2HG2 ILE 43 3.080 2.388 -2.049
365 HG23 ILE 43 3HG2 ILE 43 4.627 2.033 -2.816
366 HD11 ILE 43 1HD1 ILE 43 2.079 0.451 0.246
367 HD12 ILE 43 2HD1 ILE 43 1.789 -0.618 -1.128
368 HD13 ILE 43 3HD1 ILE 43 1.966 1.117 -1.382
369 H GLU 44 H GLU 44 6.305 3.004 1.140
370 HA GLU 44 HA GLU 44 7.009 5.136 -0.553
371 HB2 GLU 44 2HB GLU 44 7.195 6.486 1.417
372 HB3 GLU 44 1HB GLU 44 5.788 5.432 1.583
373 HG2 GLU 44 2HG GLU 44 6.588 4.597 3.513
374 HG3 GLU 44 1HG GLU 44 8.072 4.073 2.715
375 H ASN 45 H ASN 45 8.938 2.832 1.350
376 HA ASN 45 HA ASN 45 11.398 4.177 1.050
377 HB2 ASN 45 2HB ASN 45 10.621 1.298 1.492
378 HB3 ASN 45 1HB ASN 45 12.307 1.753 1.252
379 HD21 ASN 45 1HD2 ASN 45 12.123 4.334 2.636
380 HD22 ASN 45 2HD2 ASN 45 11.952 3.985 4.287
381 H ALA 46 H ALA 46 9.704 1.786 -0.991
382 HA ALA 46 HA ALA 46 11.781 1.484 -2.886
383 HB1 ALA 46 1HB ALA 46 8.789 1.235 -3.294
384 HB2 ALA 46 2HB ALA 46 9.869 -0.062 -2.778
385 HB3 ALA 46 3HB ALA 46 10.031 0.634 -4.389
386 H LEU 47 H LEU 47 9.025 3.690 -2.661
387 HA LEU 47 HA LEU 47 9.321 4.949 -5.141
388 HB2 LEU 47 2HB LEU 47 7.451 5.076 -3.325
389 HB3 LEU 47 1HB LEU 47 8.398 6.419 -2.698
390 HG LEU 47 HG LEU 47 7.423 6.231 -5.570
391 HD11 LEU 47 1HD1 LEU 47 6.325 7.652 -3.137
392 HD12 LEU 47 2HD1 LEU 47 5.495 6.479 -4.161
393 HD13 LEU 47 3HD1 LEU 47 5.871 8.085 -4.783
394 HD21 LEU 47 1HD2 LEU 47 9.183 7.738 -5.693
395 HD22 LEU 47 2HD2 LEU 47 9.056 8.187 -3.994
396 HD23 LEU 47 3HD2 LEU 47 7.916 8.847 -5.169
397 H GLY 48 H GLY 48 10.754 5.757 -1.958
398 HA2 GLY 48 2HA GLY 48 12.070 8.124 -2.777
399 HA3 GLY 48 1HA GLY 48 12.539 7.117 -1.403
400 H TRP 49 H TRP 49 13.063 4.718 -2.744
401 HA TRP 49 HA TRP 49 15.346 5.411 -4.516
402 HB2 TRP 49 2HB TRP 49 15.208 3.395 -2.265
403 HB3 TRP 49 1HB TRP 49 16.499 3.420 -3.468
404 HD1 TRP 49 HD TRP 49 15.330 5.086 -0.321
405 HE1 TRP 49 1HE TRP 49 16.961 6.971 0.329
406 HE3 TRP 49 3HE TRP 49 18.179 5.317 -4.568
407 HZ2 TRP 49 2HZ TRP 49 19.170 8.385 -0.786
408 HZ3 TRP 49 3HZ TRP 49 20.040 6.949 -4.737
409 HH2 TRP 49 HH TRP 49 20.537 8.480 -2.852
410 H ARG 50 H ARG 50 15.042 4.579 -6.491
411 HA ARG 50 HA ARG 50 14.297 3.224 -8.194
412 HB2 ARG 50 2HB ARG 50 15.938 1.717 -7.118
413 HB3 ARG 50 1HB ARG 50 14.653 1.069 -6.098
414 HG2 ARG 50 2HG ARG 50 13.415 0.364 -8.129
415 HG3 ARG 50 1HG ARG 50 14.733 0.979 -9.127
416 HD2 ARG 50 2HD ARG 50 16.290 -0.572 -7.928
417 HD3 ARG 50 1HD ARG 50 14.899 -1.258 -7.092
418 HE ARG 50 HE ARG 50 14.594 -1.268 -9.959
419 HH11 ARG 50 1HH1 ARG 50 14.635 -3.316 -10.964
420 HH12 ARG 50 2HH1 ARG 50 15.244 -4.685 -10.095
421 HH21 ARG 50 1HH2 ARG 50 15.994 -2.886 -7.234
422 HH22 ARG 50 2HH2 ARG 50 16.006 -4.442 -7.994
Start of MODEL 8
1 H FME 1 H FME 1 -11.754 -5.023 0.075
2 HCN FME 1 HF FME 1 -12.849 -5.310 2.120
3 HA FME 1 HA FME 1 -9.456 -4.094 1.564
4 HB2 FME 1 1HB FME 1 -9.336 -5.378 -0.611
5 HB3 FME 1 2HB FME 1 -8.370 -3.904 -0.557
6 HG2 FME 1 1HG FME 1 -9.804 -2.755 -1.992
7 HG3 FME 1 2HG FME 1 -11.190 -3.765 -1.577
8 HE1 FME 1 1HE FME 1 -7.482 -5.014 -2.597
9 HE2 FME 1 2HE FME 1 -7.848 -3.416 -3.242
10 HE3 FME 1 3HE FME 1 -7.675 -4.784 -4.340
11 H ALA 2 H ALA 2 -12.319 -2.679 0.987
12 HA ALA 2 HA ALA 2 -11.679 -0.135 -0.072
13 HB1 ALA 2 1HB ALA 2 -13.991 -1.078 0.220
14 HB2 ALA 2 2HB ALA 2 -13.808 0.575 0.807
15 HB3 ALA 2 3HB ALA 2 -13.839 -0.771 1.948
16 H GLY 3 H GLY 3 -11.771 -1.375 3.266
17 HA2 GLY 3 2HA GLY 3 -11.197 1.092 4.539
18 HA3 GLY 3 1HA GLY 3 -10.922 -0.506 5.231
19 H LEU 4 H LEU 4 -9.173 -1.476 3.246
20 HA LEU 4 HA LEU 4 -6.669 -0.646 4.191
21 HB2 LEU 4 2HB LEU 4 -7.247 -2.851 3.198
22 HB3 LEU 4 1HB LEU 4 -7.449 -2.089 1.636
23 HG LEU 4 HG LEU 4 -5.215 -3.361 2.292
24 HD11 LEU 4 1HD1 LEU 4 -5.640 -0.914 0.636
25 HD12 LEU 4 2HD1 LEU 4 -5.275 -2.567 0.142
26 HD13 LEU 4 3HD1 LEU 4 -4.006 -1.547 0.811
27 HD21 LEU 4 1HD2 LEU 4 -4.577 -0.556 3.222
28 HD22 LEU 4 2HD2 LEU 4 -3.475 -1.920 3.144
29 HD23 LEU 4 3HD2 LEU 4 -4.809 -1.929 4.293
30 H LEU 5 H LEU 5 -8.408 0.110 1.194
31 HA LEU 5 HA LEU 5 -6.426 1.766 0.036
32 HB2 LEU 5 2HB LEU 5 -9.427 1.684 -0.309
33 HB3 LEU 5 1HB LEU 5 -8.353 2.662 -1.299
34 HG LEU 5 HG LEU 5 -8.090 -0.337 -0.981
35 HD11 LEU 5 1HD1 LEU 5 -9.453 1.344 -3.094
36 HD12 LEU 5 2HD1 LEU 5 -10.158 0.049 -2.125
37 HD13 LEU 5 3HD1 LEU 5 -8.969 -0.329 -3.371
38 HD21 LEU 5 1HD2 LEU 5 -5.992 0.379 -1.710
39 HD22 LEU 5 2HD2 LEU 5 -6.651 1.785 -2.545
40 HD23 LEU 5 3HD2 LEU 5 -6.811 0.180 -3.255
41 H ARG 6 H ARG 6 -9.203 2.472 2.125
42 HA ARG 6 HA ARG 6 -9.015 5.279 2.051
43 HB2 ARG 6 2HB ARG 6 -10.940 4.020 2.980
44 HB3 ARG 6 1HB ARG 6 -9.937 3.527 4.343
45 HG2 ARG 6 2HG ARG 6 -9.986 6.462 3.809
46 HG3 ARG 6 1HG ARG 6 -11.517 5.772 4.332
47 HD2 ARG 6 2HD ARG 6 -10.376 4.762 6.293
48 HD3 ARG 6 1HD ARG 6 -8.866 5.512 5.783
49 HE ARG 6 HE ARG 6 -10.951 7.453 6.034
50 HH11 ARG 6 1HH1 ARG 6 -10.809 8.886 7.784
51 HH12 ARG 6 2HH1 ARG 6 -9.814 8.493 9.146
52 HH21 ARG 6 1HH2 ARG 6 -8.727 5.477 7.815
53 HH22 ARG 6 2HH2 ARG 6 -8.636 6.561 9.163
54 H PHE 7 H PHE 7 -7.538 2.897 4.229
55 HA PHE 7 HA PHE 7 -6.270 4.679 5.973
56 HB2 PHE 7 2HB PHE 7 -6.553 2.215 6.316
57 HB3 PHE 7 1HB PHE 7 -5.299 1.947 5.107
58 HD1 PHE 7 1HD PHE 7 -2.985 2.305 5.596
59 HD2 PHE 7 2HD PHE 7 -6.005 3.378 8.455
60 HE1 PHE 7 1HE PHE 7 -1.236 2.621 7.325
61 HE2 PHE 7 2HE PHE 7 -4.255 3.696 10.185
62 HZ PHE 7 HZ PHE 7 -1.871 3.313 9.619
63 H LEU 8 H LEU 8 -5.115 3.167 2.953
64 HA LEU 8 HA LEU 8 -2.511 4.257 3.126
65 HB2 LEU 8 2HB LEU 8 -4.148 3.332 0.770
66 HB3 LEU 8 1HB LEU 8 -2.478 3.873 0.610
67 HG LEU 8 HG LEU 8 -3.202 1.752 2.629
68 HD11 LEU 8 1HD1 LEU 8 -2.819 1.475 -0.348
69 HD12 LEU 8 2HD1 LEU 8 -4.108 0.809 0.657
70 HD13 LEU 8 3HD1 LEU 8 -2.476 0.142 0.752
71 HD21 LEU 8 1HD2 LEU 8 -0.911 1.181 2.537
72 HD22 LEU 8 2HD2 LEU 8 -0.849 2.931 2.388
73 HD23 LEU 8 3HD2 LEU 8 -0.690 1.924 0.957
74 H LEU 9 H LEU 9 -5.479 5.475 1.677
75 HA LEU 9 HA LEU 9 -4.359 7.765 0.453
76 HB2 LEU 9 2HB LEU 9 -6.604 6.851 0.007
77 HB3 LEU 9 1HB LEU 9 -7.132 7.396 1.587
78 HG LEU 9 HG LEU 9 -6.514 9.728 0.957
79 HD11 LEU 9 1HD1 LEU 9 -6.354 9.912 -1.709
80 HD12 LEU 9 2HD1 LEU 9 -5.646 8.307 -1.531
81 HD13 LEU 9 3HD1 LEU 9 -4.918 9.688 -0.712
82 HD21 LEU 9 1HD2 LEU 9 -8.462 8.299 -0.883
83 HD22 LEU 9 2HD2 LEU 9 -8.398 10.048 -0.659
84 HD23 LEU 9 3HD2 LEU 9 -8.832 9.001 0.692
85 H SER 10 H SER 10 -5.840 7.279 3.649
86 HA SER 10 HA SER 10 -5.712 9.930 4.543
87 HB2 SER 10 2HB SER 10 -6.983 8.195 5.719
88 HB3 SER 10 1HB SER 10 -5.486 7.366 6.138
89 HG SER 10 HG SER 10 -5.028 9.708 6.980
90 H LYS 11 H LYS 11 -3.326 7.309 4.681
91 HA LYS 11 HA LYS 11 -1.446 8.829 6.224
92 HB2 LYS 11 2HB LYS 11 -1.107 6.374 4.493
93 HB3 LYS 11 1HB LYS 11 0.199 7.081 5.436
94 HG2 LYS 11 2HG LYS 11 -2.429 6.211 6.669
95 HG3 LYS 11 1HG LYS 11 -1.029 5.151 6.543
96 HD2 LYS 11 2HD LYS 11 0.272 7.054 7.728
97 HD3 LYS 11 1HD LYS 11 -1.318 7.681 8.164
98 HE2 LYS 11 2HE LYS 11 -1.901 5.629 9.291
99 HE3 LYS 11 1HE LYS 11 -0.426 4.846 8.727
100 HZ1 LYS 11 1HZ LYS 11 -0.186 5.609 10.993
101 HZ2 LYS 11 2HZ LYS 11 -0.566 7.199 10.533
102 HZ3 LYS 11 3HZ LYS 11 0.865 6.468 9.976
103 H GLY 12 H GLY 12 -1.793 8.211 2.752
104 HA2 GLY 12 2HA GLY 12 -0.598 10.704 2.053
105 HA3 GLY 12 1HA GLY 12 0.506 9.363 1.762
106 H ARG 13 H ARG 13 -0.341 10.892 -0.353
107 HA ARG 13 HA ARG 13 -2.577 9.550 -1.667
108 HB2 ARG 13 2HB ARG 13 -2.268 12.005 -1.908
109 HB3 ARG 13 1HB ARG 13 -0.729 11.714 -2.718
110 HG2 ARG 13 2HG ARG 13 -1.907 10.413 -4.469
111 HG3 ARG 13 1HG ARG 13 -3.443 10.737 -3.663
112 HD2 ARG 13 2HD ARG 13 -3.175 12.331 -5.471
113 HD3 ARG 13 1HD ARG 13 -3.022 13.188 -3.943
114 HE ARG 13 HE ARG 13 -0.464 12.345 -4.905
115 HH11 ARG 13 1HH1 ARG 13 0.896 13.935 -5.826
116 HH12 ARG 13 2HH1 ARG 13 0.230 15.463 -6.299
117 HH21 ARG 13 1HH2 ARG 13 -3.003 14.660 -5.350
118 HH22 ARG 13 2HH2 ARG 13 -1.968 15.873 -6.028
119 H ALA 14 H ALA 14 0.914 9.634 -1.740
120 HA ALA 14 HA ALA 14 1.321 8.350 -4.222
121 HB1 ALA 14 1HB ALA 14 3.547 8.265 -3.627
122 HB2 ALA 14 2HB ALA 14 3.198 7.882 -1.941
123 HB3 ALA 14 3HB ALA 14 2.986 9.530 -2.534
124 H LEU 15 H LEU 15 0.915 7.094 -0.938
125 HA LEU 15 HA LEU 15 1.435 4.383 -1.475
126 HB2 LEU 15 2HB LEU 15 -0.558 5.476 0.519
127 HB3 LEU 15 1HB LEU 15 0.319 3.952 0.614
128 HG LEU 15 HG LEU 15 1.676 6.664 0.578
129 HD11 LEU 15 1HD1 LEU 15 2.085 6.049 3.048
130 HD12 LEU 15 2HD1 LEU 15 0.732 4.933 2.855
131 HD13 LEU 15 3HD1 LEU 15 0.487 6.663 2.614
132 HD21 LEU 15 1HD2 LEU 15 3.505 5.163 1.621
133 HD22 LEU 15 2HD2 LEU 15 3.228 5.023 -0.113
134 HD23 LEU 15 3HD2 LEU 15 2.569 3.812 0.987
135 H TYR 16 H TYR 16 -1.548 6.280 -1.583
136 HA TYR 16 HA TYR 16 -3.338 4.186 -2.184
137 HB2 TYR 16 2HB TYR 16 -4.126 6.356 -1.434
138 HB3 TYR 16 1HB TYR 16 -3.452 7.130 -2.867
139 HD1 TYR 16 1HD TYR 16 -4.646 7.199 -4.902
140 HD2 TYR 16 2HD TYR 16 -5.960 4.600 -1.744
141 HE1 TYR 16 1HE TYR 16 -6.734 6.736 -6.152
142 HE2 TYR 16 2HE TYR 16 -8.048 4.140 -3.001
143 HH TYR 16 HH TYR 16 -8.483 4.524 -6.048
144 H ASN 17 H ASN 17 -1.535 6.418 -4.285
145 HA ASN 17 HA ASN 17 -2.573 5.517 -6.741
146 HB2 ASN 17 2HB ASN 17 -1.296 7.600 -6.557
147 HB3 ASN 17 1HB ASN 17 0.156 6.689 -6.144
148 HD21 ASN 17 1HD2 ASN 17 1.396 7.159 -8.041
149 HD22 ASN 17 2HD2 ASN 17 0.911 6.689 -9.599
150 H TRP 18 H TRP 18 0.257 4.454 -4.876
151 HA TRP 18 HA TRP 18 1.253 2.604 -6.730
152 HB2 TRP 18 2HB TRP 18 2.635 3.229 -4.888
153 HB3 TRP 18 1HB TRP 18 1.407 2.742 -3.719
154 HD1 TRP 18 HD TRP 18 0.990 0.119 -3.382
155 HE1 TRP 18 1HE TRP 18 2.517 -1.915 -3.807
156 HE3 TRP 18 3HE TRP 18 4.516 2.274 -6.380
157 HZ2 TRP 18 2HZ TRP 18 4.922 -2.543 -5.229
158 HZ3 TRP 18 3HZ TRP 18 6.413 0.939 -7.252
159 HH2 TRP 18 HH TRP 18 6.622 -1.464 -6.681
160 H ALA 19 H ALA 19 -1.088 2.201 -4.068
161 HA ALA 19 HA ALA 19 -1.422 -0.577 -4.336
162 HB1 ALA 19 1HB ALA 19 -3.333 1.553 -3.343
163 HB2 ALA 19 2HB ALA 19 -2.278 0.527 -2.371
164 HB3 ALA 19 3HB ALA 19 -3.649 -0.177 -3.227
165 H LYS 20 H LYS 20 -3.108 2.138 -5.850
166 HA LYS 20 HA LYS 20 -5.050 0.633 -7.240
167 HB2 LYS 20 2HB LYS 20 -5.125 3.098 -6.898
168 HB3 LYS 20 1HB LYS 20 -3.814 3.267 -8.068
169 HG2 LYS 20 2HG LYS 20 -5.165 2.244 -9.807
170 HG3 LYS 20 1HG LYS 20 -6.460 1.916 -8.656
171 HD2 LYS 20 2HD LYS 20 -6.720 4.353 -8.276
172 HD3 LYS 20 1HD LYS 20 -5.460 4.660 -9.475
173 HE2 LYS 20 2HE LYS 20 -8.013 3.128 -10.043
174 HE3 LYS 20 1HE LYS 20 -7.776 4.836 -10.419
175 HZ1 LYS 20 1HZ LYS 20 -6.340 2.504 -11.534
176 HZ2 LYS 20 2HZ LYS 20 -5.737 4.085 -11.672
177 HZ3 LYS 20 3HZ LYS 20 -7.235 3.680 -12.365
178 H SER 21 H SER 21 -1.849 1.797 -8.205
179 HA SER 21 HA SER 21 -1.889 0.921 -10.876
180 HB2 SER 21 2HB SER 21 0.437 1.318 -8.985
181 HB3 SER 21 1HB SER 21 0.583 1.117 -10.728
182 HG SER 21 HG SER 21 -1.253 2.976 -10.248
183 H HIS 22 H HIS 22 -0.800 -0.763 -7.899
184 HA HIS 22 HA HIS 22 -0.633 -3.259 -9.497
185 HB2 HIS 22 2HB HIS 22 1.054 -2.587 -7.082
186 HB3 HIS 22 1HB HIS 22 1.212 -3.978 -8.153
187 HD1 HIS 22 1HD HIS 22 2.022 -0.351 -7.880
188 HD2 HIS 22 2HD HIS 22 2.315 -3.375 -10.733
189 HE1 HIS 22 1HE HIS 22 3.516 0.543 -9.722
190 HE2 HIS 22 2HE HIS 22 3.705 -1.291 -11.467
191 H VAL 23 H VAL 23 -2.791 -3.723 -8.946
192 HA VAL 23 HA VAL 23 -3.733 -3.841 -6.284
193 HB VAL 23 HB VAL 23 -4.781 -5.608 -8.476
194 HG11 VAL 23 1HG1 VAL 23 -6.926 -4.977 -7.437
195 HG12 VAL 23 2HG1 VAL 23 -6.067 -3.907 -6.327
196 HG13 VAL 23 3HG1 VAL 23 -5.822 -5.651 -6.236
197 HG21 VAL 23 1HG2 VAL 23 -6.130 -3.497 -9.124
198 HG22 VAL 23 2HG2 VAL 23 -4.462 -3.592 -9.686
199 HG23 VAL 23 3HG2 VAL 23 -4.865 -2.594 -8.290
200 H GLY 24 H GLY 24 -1.783 -5.935 -8.236
201 HA2 GLY 24 2HA GLY 24 -2.189 -8.399 -6.922
202 HA3 GLY 24 1HA GLY 24 -0.729 -7.938 -7.797
203 H LYS 25 H LYS 25 -0.029 -5.652 -6.259
204 HA LYS 25 HA LYS 25 1.446 -6.829 -4.151
205 HB2 LYS 25 2HB LYS 25 0.732 -3.915 -4.593
206 HB3 LYS 25 1HB LYS 25 1.981 -4.501 -3.497
207 HG2 LYS 25 2HG LYS 25 2.023 -5.229 -6.424
208 HG3 LYS 25 1HG LYS 25 2.705 -3.706 -5.867
209 HD2 LYS 25 2HD LYS 25 4.194 -4.965 -4.321
210 HD3 LYS 25 1HD LYS 25 3.538 -6.477 -4.938
211 HE2 LYS 25 2HE LYS 25 4.320 -5.908 -7.202
212 HE3 LYS 25 1HE LYS 25 4.982 -4.391 -6.596
213 HZ1 LYS 25 1HZ LYS 25 6.809 -5.466 -6.013
214 HZ2 LYS 25 2HZ LYS 25 6.164 -6.930 -6.582
215 HZ3 LYS 25 3HZ LYS 25 5.917 -6.460 -4.969
216 H VAL 26 H VAL 26 -1.598 -5.048 -4.230
217 HA VAL 26 HA VAL 26 -2.017 -4.804 -1.460
218 HB VAL 26 HB VAL 26 -3.950 -4.948 -3.767
219 HG11 VAL 26 1HG1 VAL 26 -5.490 -3.825 -2.002
220 HG12 VAL 26 2HG1 VAL 26 -4.396 -4.529 -0.811
221 HG13 VAL 26 3HG1 VAL 26 -5.285 -5.575 -1.918
222 HG21 VAL 26 1HG2 VAL 26 -4.057 -2.513 -3.399
223 HG22 VAL 26 2HG2 VAL 26 -2.392 -3.019 -3.690
224 HG23 VAL 26 3HG2 VAL 26 -2.933 -2.662 -2.049
225 H TRP 27 H TRP 27 -3.020 -7.261 -3.781
226 HA TRP 27 HA TRP 27 -4.451 -8.893 -1.953
227 HB2 TRP 27 2HB TRP 27 -3.079 -9.500 -4.570
228 HB3 TRP 27 1HB TRP 27 -3.953 -10.727 -3.656
229 HD1 TRP 27 HD TRP 27 -4.486 -8.244 -6.259
230 HE1 TRP 27 1HE TRP 27 -6.993 -7.724 -6.559
231 HE3 TRP 27 3HE TRP 27 -6.348 -10.334 -1.978
232 HZ2 TRP 27 2HZ TRP 27 -9.460 -8.137 -5.172
233 HZ3 TRP 27 3HZ TRP 27 -8.779 -10.250 -1.496
234 HH2 TRP 27 HH TRP 27 -10.335 -9.154 -3.085
235 H GLU 28 H GLU 28 -1.073 -8.929 -3.011
236 HA GLU 28 HA GLU 28 -0.241 -11.234 -1.683
237 HB2 GLU 28 2HB GLU 28 1.118 -10.037 -3.372
238 HB3 GLU 28 1HB GLU 28 1.383 -8.732 -2.216
239 HG2 GLU 28 2HG GLU 28 2.469 -10.307 -0.665
240 HG3 GLU 28 1HG GLU 28 2.180 -11.630 -1.791
241 H TRP 29 H TRP 29 -0.274 -7.820 -0.483
242 HA TRP 29 HA TRP 29 0.887 -8.575 2.011
243 HB2 TRP 29 2HB TRP 29 -0.941 -6.211 1.796
244 HB3 TRP 29 1HB TRP 29 0.465 -6.436 2.809
245 HD1 TRP 29 HD TRP 29 -0.465 -4.401 0.129
246 HE1 TRP 29 1HE TRP 29 1.485 -3.754 -1.419
247 HE3 TRP 29 3HE TRP 29 3.001 -7.865 1.579
248 HZ2 TRP 29 2HZ TRP 29 4.166 -4.576 -1.954
249 HZ3 TRP 29 3HZ TRP 29 5.239 -7.887 0.548
250 HH2 TRP 29 HH TRP 29 5.832 -6.256 -1.216
251 H LEU 30 H LEU 30 -2.464 -8.334 0.899
252 HA LEU 30 HA LEU 30 -3.679 -8.649 3.434
253 HB2 LEU 30 2HB LEU 30 -4.544 -9.047 0.605
254 HB3 LEU 30 1HB LEU 30 -5.539 -9.770 1.865
255 HG LEU 30 HG LEU 30 -6.105 -7.366 1.069
256 HD11 LEU 30 1HD1 LEU 30 -5.737 -7.867 4.034
257 HD12 LEU 30 2HD1 LEU 30 -7.056 -8.515 3.063
258 HD13 LEU 30 3HD1 LEU 30 -6.896 -6.774 3.286
259 HD21 LEU 30 1HD2 LEU 30 -4.151 -6.442 3.155
260 HD22 LEU 30 2HD2 LEU 30 -4.859 -5.565 1.805
261 HD23 LEU 30 3HD2 LEU 30 -3.566 -6.708 1.516
262 H LYS 31 H LYS 31 -2.635 -11.034 1.029
263 HA LYS 31 HA LYS 31 -3.581 -13.317 2.393
264 HB2 LYS 31 2HB LYS 31 -2.814 -13.309 0.018
265 HB3 LYS 31 1HB LYS 31 -1.157 -13.119 0.593
266 HG2 LYS 31 2HG LYS 31 -1.314 -15.224 1.835
267 HG3 LYS 31 1HG LYS 31 -2.995 -15.414 1.335
268 HD2 LYS 31 2HD LYS 31 -2.298 -15.511 -1.022
269 HD3 LYS 31 1HD LYS 31 -0.614 -15.297 -0.540
270 HE2 LYS 31 2HE LYS 31 -1.065 -17.674 -0.909
271 HE3 LYS 31 1HE LYS 31 -0.762 -17.387 0.804
272 HZ1 LYS 31 1HZ LYS 31 -2.763 -18.803 0.179
273 HZ2 LYS 31 2HZ LYS 31 -3.500 -17.348 -0.300
274 HZ3 LYS 31 3HZ LYS 31 -3.008 -17.566 1.312
275 H SER 32 H SER 32 -0.492 -11.602 2.460
276 HA SER 32 HA SER 32 0.880 -13.343 4.211
277 HB2 SER 32 2HB SER 32 2.009 -11.622 2.855
278 HB3 SER 32 1HB SER 32 1.230 -10.360 3.806
279 HG SER 32 HG SER 32 2.684 -12.387 5.100
280 H GLY 33 H GLY 33 -1.077 -10.443 4.792
281 HA2 GLY 33 2HA GLY 33 -2.465 -10.125 6.694
282 HA3 GLY 33 1HA GLY 33 -1.470 -11.272 7.587
283 H ALA 34 H ALA 34 0.528 -9.249 5.832
284 HA ALA 34 HA ALA 34 1.829 -8.084 7.964
285 HB1 ALA 34 1HB ALA 34 1.450 -6.950 5.183
286 HB2 ALA 34 2HB ALA 34 2.757 -8.006 5.719
287 HB3 ALA 34 3HB ALA 34 2.632 -6.364 6.352
288 H THR 35 H THR 35 1.960 -5.569 8.229
289 HA THR 35 HA THR 35 -0.740 -4.690 8.994
290 HB THR 35 HB THR 35 0.383 -3.110 10.452
291 HG1 THR 35 1HG THR 35 2.890 -3.754 10.279
292 HG21 THR 35 1HG2 THR 35 1.351 -4.639 11.978
293 HG22 THR 35 2HG2 THR 35 1.931 -5.685 10.681
294 HG23 THR 35 3HG2 THR 35 0.208 -5.606 11.045
295 H TYR 36 H TYR 36 -1.409 -2.513 8.583
296 HA TYR 36 HA TYR 36 -1.059 -1.689 5.923
297 HB2 TYR 36 2HB TYR 36 -1.942 0.093 8.192
298 HB3 TYR 36 1HB TYR 36 -2.385 0.214 6.493
299 HD1 TYR 36 1HD TYR 36 -3.149 -2.509 5.722
300 HD2 TYR 36 2HD TYR 36 -3.859 -0.442 9.429
301 HE1 TYR 36 1HE TYR 36 -5.132 -3.927 6.134
302 HE2 TYR 36 2HE TYR 36 -5.837 -1.879 9.839
303 HH TYR 36 HH TYR 36 -6.841 -4.356 7.481
304 H GLU 37 H GLU 37 0.404 -0.522 8.913
305 HA GLU 37 HA GLU 37 1.797 1.658 7.839
306 HB2 GLU 37 2HB GLU 37 1.455 1.247 10.253
307 HB3 GLU 37 1HB GLU 37 2.598 -0.093 10.169
308 HG2 GLU 37 2HG GLU 37 4.366 1.456 9.415
309 HG3 GLU 37 1HG GLU 37 3.222 2.795 9.484
310 H GLN 38 H GLN 38 2.932 -1.670 8.466
311 HA GLN 38 HA GLN 38 5.512 -1.300 7.451
312 HB2 GLN 38 2HB GLN 38 4.806 -3.251 8.764
313 HB3 GLN 38 1HB GLN 38 3.843 -3.824 7.404
314 HG2 GLN 38 2HG GLN 38 5.903 -3.895 6.009
315 HG3 GLN 38 1HG GLN 38 6.845 -3.390 7.407
316 HE21 GLN 38 1HE2 GLN 38 7.814 -5.097 8.469
317 HE22 GLN 38 2HE2 GLN 38 7.226 -6.690 8.511
318 H ILE 39 H ILE 39 2.503 -2.217 5.796
319 HA ILE 39 HA ILE 39 3.679 -2.817 3.312
320 HB ILE 39 HB ILE 39 0.879 -1.899 3.998
321 HG12 ILE 39 2HG1 ILE 39 1.831 -4.650 3.189
322 HG13 ILE 39 1HG1 ILE 39 1.918 -4.133 4.872
323 HG21 ILE 39 1HG2 ILE 39 1.308 -1.441 1.639
324 HG22 ILE 39 2HG2 ILE 39 0.330 -2.903 1.756
325 HG23 ILE 39 3HG2 ILE 39 2.061 -3.026 1.433
326 HD11 ILE 39 1HD1 ILE 39 -0.554 -4.393 3.142
327 HD12 ILE 39 2HD1 ILE 39 -0.558 -3.532 4.678
328 HD13 ILE 39 3HD1 ILE 39 -0.190 -5.251 4.637
329 H LYS 40 H LYS 40 2.302 0.310 4.550
330 HA LYS 40 HA LYS 40 2.859 1.606 2.055
331 HB2 LYS 40 2HB LYS 40 2.822 3.773 3.290
332 HB3 LYS 40 1HB LYS 40 1.334 2.804 3.436
333 HG2 LYS 40 2HG LYS 40 1.906 2.080 5.620
334 HG3 LYS 40 1HG LYS 40 3.561 2.664 5.474
335 HD2 LYS 40 2HD LYS 40 1.400 4.705 5.099
336 HD3 LYS 40 1HD LYS 40 1.600 4.071 6.732
337 HE2 LYS 40 2HE LYS 40 3.777 5.323 5.035
338 HE3 LYS 40 1HE LYS 40 2.992 6.064 6.427
339 HZ1 LYS 40 1HZ LYS 40 3.782 4.016 7.685
340 HZ2 LYS 40 2HZ LYS 40 4.954 5.171 7.263
341 HZ3 LYS 40 3HZ LYS 40 4.809 3.736 6.365
342 H GLU 41 H GLU 41 4.716 1.033 4.987
343 HA GLU 41 HA GLU 41 6.819 2.777 4.543
344 HB2 GLU 41 2HB GLU 41 6.543 1.445 6.600
345 HB3 GLU 41 1HB GLU 41 6.982 -0.004 5.696
346 HG2 GLU 41 2HG GLU 41 9.172 0.979 5.156
347 HG3 GLU 41 1HG GLU 41 8.735 2.443 6.035
348 H TRP 42 H TRP 42 6.414 -0.606 3.431
349 HA TRP 42 HA TRP 42 8.861 -0.721 2.007
350 HB2 TRP 42 2HB TRP 42 6.251 -2.152 1.415
351 HB3 TRP 42 1HB TRP 42 7.790 -2.520 0.657
352 HD1 TRP 42 HD TRP 42 9.613 -2.404 3.313
353 HE1 TRP 42 1HE TRP 42 9.428 -4.331 5.004
354 HE3 TRP 42 3HE TRP 42 5.027 -4.263 2.036
355 HZ2 TRP 42 2HZ TRP 42 7.580 -6.413 5.720
356 HZ3 TRP 42 3HZ TRP 42 4.075 -6.222 3.221
357 HH2 TRP 42 HH TRP 42 5.351 -7.300 5.064
358 H ILE 43 H ILE 43 5.603 0.246 1.070
359 HA ILE 43 HA ILE 43 6.122 0.625 -1.678
360 HB ILE 43 HB ILE 43 4.096 1.890 0.158
361 HG12 ILE 43 2HG1 ILE 43 3.833 -0.251 -1.971
362 HG13 ILE 43 1HG1 ILE 43 4.004 -0.581 -0.247
363 HG21 ILE 43 1HG2 ILE 43 2.902 2.437 -2.016
364 HG22 ILE 43 2HG2 ILE 43 4.428 2.115 -2.840
365 HG23 ILE 43 3HG2 ILE 43 4.318 3.425 -1.663
366 HD11 ILE 43 1HD1 ILE 43 1.924 0.510 0.257
367 HD12 ILE 43 2HD1 ILE 43 1.615 -0.567 -1.104
368 HD13 ILE 43 3HD1 ILE 43 1.802 1.165 -1.375
369 H GLU 44 H GLU 44 6.249 2.996 0.971
370 HA GLU 44 HA GLU 44 6.891 5.086 -0.789
371 HB2 GLU 44 2HB GLU 44 7.156 6.482 1.136
372 HB3 GLU 44 1HB GLU 44 5.755 5.427 1.385
373 HG2 GLU 44 2HG GLU 44 6.648 4.668 3.309
374 HG3 GLU 44 1HG GLU 44 8.054 4.071 2.448
375 H ASN 45 H ASN 45 8.911 2.818 1.064
376 HA ASN 45 HA ASN 45 11.369 4.155 0.648
377 HB2 ASN 45 2HB ASN 45 11.151 2.343 2.269
378 HB3 ASN 45 1HB ASN 45 10.744 1.211 0.982
379 HD21 ASN 45 1HD2 ASN 45 13.129 1.314 2.899
380 HD22 ASN 45 2HD2 ASN 45 14.486 1.248 1.882
381 H ALA 46 H ALA 46 9.575 1.738 -1.280
382 HA ALA 46 HA ALA 46 11.560 1.415 -3.275
383 HB1 ALA 46 1HB ALA 46 8.558 1.095 -3.493
384 HB2 ALA 46 2HB ALA 46 9.682 -0.152 -2.951
385 HB3 ALA 46 3HB ALA 46 9.754 0.439 -4.611
386 H LEU 47 H LEU 47 8.788 3.585 -2.966
387 HA LEU 47 HA LEU 47 8.889 4.780 -5.487
388 HB2 LEU 47 2HB LEU 47 7.169 4.950 -3.526
389 HB3 LEU 47 1HB LEU 47 8.166 6.304 -2.997
390 HG LEU 47 HG LEU 47 6.975 6.033 -5.771
391 HD11 LEU 47 1HD1 LEU 47 6.047 7.507 -3.302
392 HD12 LEU 47 2HD1 LEU 47 5.130 6.390 -4.315
393 HD13 LEU 47 3HD1 LEU 47 5.549 7.992 -4.923
394 HD21 LEU 47 1HD2 LEU 47 8.739 8.033 -4.399
395 HD22 LEU 47 2HD2 LEU 47 7.541 8.637 -5.544
396 HD23 LEU 47 3HD2 LEU 47 8.753 7.482 -6.074
397 H GLY 48 H GLY 48 10.513 5.695 -2.426
398 HA2 GLY 48 2HA GLY 48 11.760 8.035 -3.364
399 HA3 GLY 48 1HA GLY 48 12.328 7.043 -2.023
400 H TRP 49 H TRP 49 12.801 4.649 -3.349
401 HA TRP 49 HA TRP 49 14.582 5.169 -5.588
402 HB2 TRP 49 2HB TRP 49 16.505 4.037 -4.398
403 HB3 TRP 49 1HB TRP 49 16.125 5.664 -3.837
404 HD1 TRP 49 HD TRP 49 16.116 2.041 -2.775
405 HE1 TRP 49 1HE TRP 49 15.533 1.880 -0.270
406 HE3 TRP 49 3HE TRP 49 14.750 6.880 -1.876
407 HZ2 TRP 49 2HZ TRP 49 14.612 3.579 1.838
408 HZ3 TRP 49 3HZ TRP 49 14.029 7.581 0.389
409 HH2 TRP 49 HH TRP 49 13.958 5.938 2.245
410 H ARG 50 H ARG 50 15.460 3.175 -6.515
411 HA ARG 50 HA ARG 50 14.712 0.590 -5.659
412 HB2 ARG 50 2HB ARG 50 12.429 1.386 -6.209
413 HB3 ARG 50 1HB ARG 50 12.963 1.740 -7.852
414 HG2 ARG 50 2HG ARG 50 13.542 -0.644 -8.175
415 HG3 ARG 50 1HG ARG 50 12.985 -0.995 -6.537
416 HD2 ARG 50 2HD ARG 50 10.737 -0.061 -7.184
417 HD3 ARG 50 1HD ARG 50 11.321 0.055 -8.840
418 HE ARG 50 HE ARG 50 11.735 -2.579 -7.913
419 HH11 ARG 50 1HH1 ARG 50 10.262 -4.199 -8.532
420 HH12 ARG 50 2HH1 ARG 50 8.688 -3.756 -9.106
421 HH21 ARG 50 1HH2 ARG 50 9.234 -0.349 -8.762
422 HH22 ARG 50 2HH2 ARG 50 8.107 -1.575 -9.236
Start of MODEL 9
1 H FME 1 H FME 1 -12.142 -4.911 1.351
2 HCN FME 1 HF FME 1 -12.202 -4.289 3.603
3 HA FME 1 HA FME 1 -9.601 -3.854 0.933
4 HB2 FME 1 1HB FME 1 -11.837 -3.735 -1.095
5 HB3 FME 1 2HB FME 1 -10.987 -5.226 -0.684
6 HG2 FME 1 1HG FME 1 -8.834 -4.131 -1.292
7 HG3 FME 1 2HG FME 1 -9.727 -2.688 -1.772
8 HE1 FME 1 1HE FME 1 -8.331 -4.602 -4.959
9 HE2 FME 1 2HE FME 1 -7.811 -5.278 -3.418
10 HE3 FME 1 3HE FME 1 -7.896 -3.531 -3.620
11 H ALA 2 H ALA 2 -12.746 -2.261 0.937
12 HA ALA 2 HA ALA 2 -11.926 0.243 -0.065
13 HB1 ALA 2 1HB ALA 2 -14.000 1.060 0.719
14 HB2 ALA 2 2HB ALA 2 -14.061 -0.115 2.032
15 HB3 ALA 2 3HB ALA 2 -14.308 -0.643 0.368
16 H GLY 3 H GLY 3 -11.985 -1.084 3.223
17 HA2 GLY 3 2HA GLY 3 -11.284 1.270 4.603
18 HA3 GLY 3 1HA GLY 3 -11.013 -0.370 5.181
19 H LEU 4 H LEU 4 -9.295 -1.291 3.165
20 HA LEU 4 HA LEU 4 -6.780 -0.415 4.094
21 HB2 LEU 4 2HB LEU 4 -7.194 -2.631 3.052
22 HB3 LEU 4 1HB LEU 4 -7.465 -1.836 1.505
23 HG LEU 4 HG LEU 4 -5.036 -0.815 1.992
24 HD11 LEU 4 1HD1 LEU 4 -4.858 -3.486 3.387
25 HD12 LEU 4 2HD1 LEU 4 -4.976 -1.954 4.257
26 HD13 LEU 4 3HD1 LEU 4 -3.595 -2.269 3.205
27 HD21 LEU 4 1HD2 LEU 4 -5.470 -2.118 0.034
28 HD22 LEU 4 2HD2 LEU 4 -5.668 -3.593 0.984
29 HD23 LEU 4 3HD2 LEU 4 -4.075 -2.849 0.829
30 H LEU 5 H LEU 5 -8.590 0.325 1.136
31 HA LEU 5 HA LEU 5 -6.638 1.950 -0.079
32 HB2 LEU 5 2HB LEU 5 -9.651 1.898 -0.332
33 HB3 LEU 5 1HB LEU 5 -8.599 2.855 -1.376
34 HG LEU 5 HG LEU 5 -8.382 -0.147 -1.004
35 HD11 LEU 5 1HD1 LEU 5 -10.472 0.463 -2.146
36 HD12 LEU 5 2HD1 LEU 5 -9.345 -0.290 -3.273
37 HD13 LEU 5 3HD1 LEU 5 -9.569 1.459 -3.286
38 HD21 LEU 5 1HD2 LEU 5 -6.836 1.916 -2.529
39 HD22 LEU 5 2HD2 LEU 5 -7.089 0.354 -3.305
40 HD23 LEU 5 3HD2 LEU 5 -6.273 0.437 -1.746
41 H ARG 6 H ARG 6 -9.340 2.720 2.084
42 HA ARG 6 HA ARG 6 -9.051 5.516 2.065
43 HB2 ARG 6 2HB ARG 6 -10.974 4.258 3.070
44 HB3 ARG 6 1HB ARG 6 -9.917 3.797 4.405
45 HG2 ARG 6 2HG ARG 6 -9.495 6.472 4.442
46 HG3 ARG 6 1HG ARG 6 -11.113 6.456 3.751
47 HD2 ARG 6 2HD ARG 6 -11.856 5.015 5.656
48 HD3 ARG 6 1HD ARG 6 -10.244 5.193 6.359
49 HE ARG 6 HE ARG 6 -11.497 7.726 5.756
50 HH11 ARG 6 1HH1 ARG 6 -12.099 8.988 7.567
51 HH12 ARG 6 2HH1 ARG 6 -12.171 8.250 9.133
52 HH21 ARG 6 1HH2 ARG 6 -11.193 5.126 8.010
53 HH22 ARG 6 2HH2 ARG 6 -11.660 6.073 9.384
54 H PHE 7 H PHE 7 -7.608 3.033 4.171
55 HA PHE 7 HA PHE 7 -6.251 4.752 5.906
56 HB2 PHE 7 2HB PHE 7 -6.529 2.292 6.244
57 HB3 PHE 7 1HB PHE 7 -5.343 2.013 4.972
58 HD1 PHE 7 1HD PHE 7 -3.037 2.003 5.468
59 HD2 PHE 7 2HD PHE 7 -5.805 3.745 8.250
60 HE1 PHE 7 1HE PHE 7 -1.215 2.231 7.136
61 HE2 PHE 7 2HE PHE 7 -3.985 3.977 9.917
62 HZ PHE 7 HZ PHE 7 -1.689 3.218 9.362
63 H LEU 8 H LEU 8 -5.192 3.257 2.859
64 HA LEU 8 HA LEU 8 -2.552 4.246 2.903
65 HB2 LEU 8 2HB LEU 8 -4.370 3.397 0.654
66 HB3 LEU 8 1HB LEU 8 -2.682 3.840 0.407
67 HG LEU 8 HG LEU 8 -3.303 1.825 2.549
68 HD11 LEU 8 1HD1 LEU 8 -4.628 1.044 0.622
69 HD12 LEU 8 2HD1 LEU 8 -3.217 0.009 0.842
70 HD13 LEU 8 3HD1 LEU 8 -3.226 1.229 -0.433
71 HD21 LEU 8 1HD2 LEU 8 -1.090 1.917 0.480
72 HD22 LEU 8 2HD2 LEU 8 -1.114 1.008 1.992
73 HD23 LEU 8 3HD2 LEU 8 -0.994 2.770 2.018
74 H LEU 9 H LEU 9 -5.546 5.564 1.508
75 HA LEU 9 HA LEU 9 -4.422 7.785 0.211
76 HB2 LEU 9 2HB LEU 9 -6.862 6.773 0.164
77 HB3 LEU 9 1HB LEU 9 -7.150 7.899 1.481
78 HG LEU 9 HG LEU 9 -7.811 9.083 -0.446
79 HD11 LEU 9 1HD1 LEU 9 -4.932 9.960 -0.180
80 HD12 LEU 9 2HD1 LEU 9 -6.169 10.331 1.023
81 HD13 LEU 9 3HD1 LEU 9 -6.330 10.933 -0.619
82 HD21 LEU 9 1HD2 LEU 9 -5.239 8.309 -1.846
83 HD22 LEU 9 2HD2 LEU 9 -6.645 9.109 -2.545
84 HD23 LEU 9 3HD2 LEU 9 -6.757 7.428 -2.029
85 H SER 10 H SER 10 -5.707 7.394 3.515
86 HA SER 10 HA SER 10 -5.440 10.077 4.320
87 HB2 SER 10 2HB SER 10 -6.742 8.406 5.585
88 HB3 SER 10 1HB SER 10 -5.251 7.574 6.011
89 HG SER 10 HG SER 10 -5.173 8.929 7.612
90 H LYS 11 H LYS 11 -3.172 7.344 4.467
91 HA LYS 11 HA LYS 11 -1.189 8.819 5.906
92 HB2 LYS 11 2HB LYS 11 -0.954 6.298 4.263
93 HB3 LYS 11 1HB LYS 11 0.325 6.953 5.280
94 HG2 LYS 11 2HG LYS 11 -2.428 6.158 6.279
95 HG3 LYS 11 1HG LYS 11 -0.987 5.154 6.413
96 HD2 LYS 11 2HD LYS 11 0.052 7.250 7.605
97 HD3 LYS 11 1HD LYS 11 -1.627 7.735 7.830
98 HE2 LYS 11 2HE LYS 11 -2.138 5.662 8.982
99 HE3 LYS 11 1HE LYS 11 -0.509 5.054 8.678
100 HZ1 LYS 11 1HZ LYS 11 -0.158 5.926 10.715
101 HZ2 LYS 11 2HZ LYS 11 -1.424 7.053 10.589
102 HZ3 LYS 11 3HZ LYS 11 0.067 7.359 9.835
103 H GLY 12 H GLY 12 -1.649 8.132 2.452
104 HA2 GLY 12 2HA GLY 12 -0.274 10.511 1.720
105 HA3 GLY 12 1HA GLY 12 0.765 9.110 1.482
106 H ARG 13 H ARG 13 -0.267 10.888 -0.540
107 HA ARG 13 HA ARG 13 -2.404 9.569 -1.941
108 HB2 ARG 13 2HB ARG 13 -0.428 11.700 -2.794
109 HB3 ARG 13 1HB ARG 13 -1.730 11.095 -3.818
110 HG2 ARG 13 2HG ARG 13 -3.400 11.818 -2.194
111 HG3 ARG 13 1HG ARG 13 -2.132 12.342 -1.085
112 HD2 ARG 13 2HD ARG 13 -2.998 14.271 -2.319
113 HD3 ARG 13 1HD ARG 13 -1.333 13.954 -2.796
114 HE ARG 13 HE ARG 13 -2.100 13.289 -4.912
115 HH11 ARG 13 1HH1 ARG 13 -3.715 13.280 -6.512
116 HH12 ARG 13 2HH1 ARG 13 -5.375 13.486 -6.058
117 HH21 ARG 13 1HH2 ARG 13 -4.698 13.798 -2.678
118 HH22 ARG 13 2HH2 ARG 13 -5.928 13.785 -3.897
119 H ALA 14 H ALA 14 1.072 9.581 -1.931
120 HA ALA 14 HA ALA 14 1.581 8.250 -4.327
121 HB1 ALA 14 1HB ALA 14 3.042 8.552 -1.731
122 HB2 ALA 14 2HB ALA 14 3.442 9.214 -3.315
123 HB3 ALA 14 3HB ALA 14 3.694 7.499 -2.988
124 H LEU 15 H LEU 15 1.054 6.934 -1.043
125 HA LEU 15 HA LEU 15 1.481 4.224 -1.660
126 HB2 LEU 15 2HB LEU 15 -0.512 5.335 0.340
127 HB3 LEU 15 1HB LEU 15 0.288 3.767 0.400
128 HG LEU 15 HG LEU 15 1.769 6.403 0.472
129 HD11 LEU 15 1HD1 LEU 15 0.708 4.646 2.689
130 HD12 LEU 15 2HD1 LEU 15 0.452 6.374 2.451
131 HD13 LEU 15 3HD1 LEU 15 2.038 5.777 2.939
132 HD21 LEU 15 1HD2 LEU 15 3.482 4.791 1.528
133 HD22 LEU 15 2HD2 LEU 15 3.248 4.704 -0.208
134 HD23 LEU 15 3HD2 LEU 15 2.507 3.500 0.844
135 H TYR 16 H TYR 16 -1.425 6.229 -1.727
136 HA TYR 16 HA TYR 16 -3.279 4.211 -2.338
137 HB2 TYR 16 2HB TYR 16 -3.931 6.401 -1.547
138 HB3 TYR 16 1HB TYR 16 -3.256 7.154 -2.988
139 HD1 TYR 16 1HD TYR 16 -4.656 7.574 -4.808
140 HD2 TYR 16 2HD TYR 16 -5.725 4.502 -1.998
141 HE1 TYR 16 1HE TYR 16 -6.817 7.244 -5.981
142 HE2 TYR 16 2HE TYR 16 -7.883 4.176 -3.174
143 HH TYR 16 HH TYR 16 -8.753 4.553 -5.514
144 H ASN 17 H ASN 17 -1.430 6.397 -4.441
145 HA ASN 17 HA ASN 17 -2.518 5.514 -6.880
146 HB2 ASN 17 2HB ASN 17 -1.182 7.555 -6.740
147 HB3 ASN 17 1HB ASN 17 0.243 6.615 -6.294
148 HD21 ASN 17 1HD2 ASN 17 1.424 7.234 -8.255
149 HD22 ASN 17 2HD2 ASN 17 0.978 6.620 -9.774
150 H TRP 18 H TRP 18 0.288 4.400 -5.012
151 HA TRP 18 HA TRP 18 1.254 2.500 -6.830
152 HB2 TRP 18 2HB TRP 18 2.624 3.111 -4.976
153 HB3 TRP 18 1HB TRP 18 1.378 2.659 -3.817
154 HD1 TRP 18 HD TRP 18 1.156 0.144 -3.168
155 HE1 TRP 18 1HE TRP 18 2.591 -1.941 -3.654
156 HE3 TRP 18 3HE TRP 18 4.190 2.002 -6.827
157 HZ2 TRP 18 2HZ TRP 18 4.747 -2.716 -5.367
158 HZ3 TRP 18 3HZ TRP 18 5.931 0.575 -7.862
159 HH2 TRP 18 HH TRP 18 6.213 -1.781 -7.137
160 H ALA 19 H ALA 19 -1.116 2.135 -4.180
161 HA ALA 19 HA ALA 19 -1.503 -0.639 -4.525
162 HB1 ALA 19 1HB ALA 19 -3.811 -0.064 -3.445
163 HB2 ALA 19 2HB ALA 19 -3.120 1.548 -3.252
164 HB3 ALA 19 3HB ALA 19 -2.336 0.156 -2.504
165 H LYS 20 H LYS 20 -3.139 2.169 -5.947
166 HA LYS 20 HA LYS 20 -5.136 0.726 -7.330
167 HB2 LYS 20 2HB LYS 20 -5.185 3.189 -7.016
168 HB3 LYS 20 1HB LYS 20 -3.836 3.335 -8.146
169 HG2 LYS 20 2HG LYS 20 -5.172 2.314 -9.926
170 HG3 LYS 20 1HG LYS 20 -6.515 2.071 -8.808
171 HD2 LYS 20 2HD LYS 20 -6.671 4.515 -8.476
172 HD3 LYS 20 1HD LYS 20 -5.344 4.750 -9.612
173 HE2 LYS 20 2HE LYS 20 -6.676 3.700 -11.400
174 HE3 LYS 20 1HE LYS 20 -8.001 3.443 -10.263
175 HZ1 LYS 20 1HZ LYS 20 -7.721 5.622 -11.799
176 HZ2 LYS 20 2HZ LYS 20 -6.998 6.144 -10.353
177 HZ3 LYS 20 3HZ LYS 20 -8.601 5.579 -10.347
178 H SER 21 H SER 21 -1.885 1.793 -8.308
179 HA SER 21 HA SER 21 -1.973 0.916 -10.972
180 HB2 SER 21 2HB SER 21 0.409 1.127 -9.125
181 HB3 SER 21 1HB SER 21 0.484 0.987 -10.877
182 HG SER 21 HG SER 21 0.282 3.072 -10.866
183 H HIS 22 H HIS 22 -0.939 -0.814 -8.019
184 HA HIS 22 HA HIS 22 -0.992 -3.329 -9.599
185 HB2 HIS 22 2HB HIS 22 0.981 -2.499 -7.465
186 HB3 HIS 22 1HB HIS 22 0.857 -4.130 -8.128
187 HD1 HIS 22 1HD HIS 22 1.079 -4.217 -10.882
188 HD2 HIS 22 2HD HIS 22 2.564 -0.817 -8.980
189 HE1 HIS 22 1HE HIS 22 2.625 -3.084 -12.540
190 HE2 HIS 22 2HE HIS 22 3.545 -1.016 -11.391
191 H VAL 23 H VAL 23 -3.076 -3.808 -8.899
192 HA VAL 23 HA VAL 23 -3.859 -3.776 -6.164
193 HB VAL 23 HB VAL 23 -5.801 -5.126 -6.910
194 HG11 VAL 23 1HG1 VAL 23 -6.612 -3.501 -8.684
195 HG12 VAL 23 2HG1 VAL 23 -5.003 -2.778 -8.654
196 HG13 VAL 23 3HG1 VAL 23 -6.013 -2.749 -7.207
197 HG21 VAL 23 1HG2 VAL 23 -4.719 -6.583 -8.513
198 HG22 VAL 23 2HG2 VAL 23 -4.250 -5.208 -9.514
199 HG23 VAL 23 3HG2 VAL 23 -5.950 -5.653 -9.368
200 H GLY 24 H GLY 24 -2.092 -5.931 -8.146
201 HA2 GLY 24 2HA GLY 24 -2.504 -8.369 -6.788
202 HA3 GLY 24 1HA GLY 24 -1.093 -7.967 -7.764
203 H LYS 25 H LYS 25 -0.144 -5.749 -6.300
204 HA LYS 25 HA LYS 25 1.391 -7.001 -4.292
205 HB2 LYS 25 2HB LYS 25 0.784 -4.061 -4.736
206 HB3 LYS 25 1HB LYS 25 2.029 -4.669 -3.649
207 HG2 LYS 25 2HG LYS 25 1.995 -5.462 -6.557
208 HG3 LYS 25 1HG LYS 25 2.737 -3.950 -6.043
209 HD2 LYS 25 2HD LYS 25 4.189 -5.226 -4.474
210 HD3 LYS 25 1HD LYS 25 3.492 -6.728 -5.076
211 HE2 LYS 25 2HE LYS 25 4.252 -6.162 -7.358
212 HE3 LYS 25 1HE LYS 25 4.992 -4.688 -6.732
213 HZ1 LYS 25 1HZ LYS 25 6.751 -5.833 -6.078
214 HZ2 LYS 25 2HZ LYS 25 6.107 -7.217 -6.827
215 HZ3 LYS 25 3HZ LYS 25 5.793 -6.911 -5.186
216 H VAL 26 H VAL 26 -1.556 -5.078 -4.197
217 HA VAL 26 HA VAL 26 -1.806 -4.794 -1.408
218 HB VAL 26 HB VAL 26 -3.858 -4.854 -3.615
219 HG11 VAL 26 1HG1 VAL 26 -4.169 -4.610 -0.643
220 HG12 VAL 26 2HG1 VAL 26 -5.236 -5.373 -1.819
221 HG13 VAL 26 3HG1 VAL 26 -5.200 -3.617 -1.677
222 HG21 VAL 26 1HG2 VAL 26 -2.880 -2.557 -1.904
223 HG22 VAL 26 2HG2 VAL 26 -3.811 -2.470 -3.399
224 HG23 VAL 26 3HG2 VAL 26 -2.127 -2.990 -3.439
225 H TRP 27 H TRP 27 -3.105 -7.191 -3.630
226 HA TRP 27 HA TRP 27 -4.478 -8.739 -1.708
227 HB2 TRP 27 2HB TRP 27 -3.337 -9.398 -4.424
228 HB3 TRP 27 1HB TRP 27 -4.199 -10.590 -3.449
229 HD1 TRP 27 HD TRP 27 -4.818 -8.109 -6.018
230 HE1 TRP 27 1HE TRP 27 -7.307 -7.438 -6.101
231 HE3 TRP 27 3HE TRP 27 -6.403 -10.046 -1.566
232 HZ2 TRP 27 2HZ TRP 27 -9.658 -7.698 -4.497
233 HZ3 TRP 27 3HZ TRP 27 -8.771 -9.823 -0.869
234 HH2 TRP 27 HH TRP 27 -10.399 -8.650 -2.328
235 H GLU 28 H GLU 28 -1.183 -8.963 -3.018
236 HA GLU 28 HA GLU 28 -0.416 -11.333 -1.775
237 HB2 GLU 28 2HB GLU 28 0.890 -10.115 -3.534
238 HB3 GLU 28 1HB GLU 28 1.372 -8.951 -2.298
239 HG2 GLU 28 2HG GLU 28 3.130 -10.589 -2.450
240 HG3 GLU 28 1HG GLU 28 2.267 -10.888 -0.943
241 H TRP 29 H TRP 29 -0.140 -7.949 -0.554
242 HA TRP 29 HA TRP 29 1.149 -8.751 1.848
243 HB2 TRP 29 2HB TRP 29 -0.596 -6.309 1.737
244 HB3 TRP 29 1HB TRP 29 0.849 -6.597 2.685
245 HD1 TRP 29 HD TRP 29 -0.127 -4.527 0.067
246 HE1 TRP 29 1HE TRP 29 1.771 -3.939 -1.565
247 HE3 TRP 29 3HE TRP 29 3.271 -8.110 1.351
248 HZ2 TRP 29 2HZ TRP 29 4.385 -4.843 -2.218
249 HZ3 TRP 29 3HZ TRP 29 5.456 -8.199 0.219
250 HH2 TRP 29 HH TRP 29 6.030 -6.577 -1.560
251 H LEU 30 H LEU 30 -2.255 -8.302 0.992
252 HA LEU 30 HA LEU 30 -3.253 -8.554 3.634
253 HB2 LEU 30 2HB LEU 30 -4.484 -8.991 0.926
254 HB3 LEU 30 1HB LEU 30 -5.386 -9.360 2.394
255 HG LEU 30 HG LEU 30 -4.048 -6.689 1.875
256 HD11 LEU 30 1HD1 LEU 30 -5.721 -6.747 0.227
257 HD12 LEU 30 2HD1 LEU 30 -6.534 -5.977 1.593
258 HD13 LEU 30 3HD1 LEU 30 -6.822 -7.684 1.244
259 HD21 LEU 30 1HD2 LEU 30 -6.025 -6.188 3.660
260 HD22 LEU 30 2HD2 LEU 30 -4.404 -6.658 4.155
261 HD23 LEU 30 3HD2 LEU 30 -5.684 -7.864 4.086
262 H LYS 31 H LYS 31 -2.598 -10.973 1.130
263 HA LYS 31 HA LYS 31 -3.616 -13.208 2.498
264 HB2 LYS 31 2HB LYS 31 -2.965 -13.180 0.084
265 HB3 LYS 31 1HB LYS 31 -1.273 -13.139 0.583
266 HG2 LYS 31 2HG LYS 31 -1.504 -15.275 1.728
267 HG3 LYS 31 1HG LYS 31 -3.234 -15.303 1.396
268 HD2 LYS 31 2HD LYS 31 -2.384 -16.669 -0.306
269 HD3 LYS 31 1HD LYS 31 -2.506 -15.103 -1.108
270 HE2 LYS 31 2HE LYS 31 -0.319 -16.187 -1.546
271 HE3 LYS 31 1HE LYS 31 -0.126 -14.671 -0.668
272 HZ1 LYS 31 1HZ LYS 31 0.537 -15.726 1.194
273 HZ2 LYS 31 2HZ LYS 31 1.000 -16.937 0.097
274 HZ3 LYS 31 3HZ LYS 31 -0.468 -17.069 0.942
275 H SER 32 H SER 32 -0.414 -11.722 2.450
276 HA SER 32 HA SER 32 0.941 -13.602 4.035
277 HB2 SER 32 2HB SER 32 1.346 -10.648 3.595
278 HB3 SER 32 1HB SER 32 2.458 -11.633 4.545
279 HG SER 32 HG SER 32 1.720 -12.682 2.099
280 H GLY 33 H GLY 33 -0.966 -10.760 4.888
281 HA2 GLY 33 2HA GLY 33 -2.221 -10.541 6.881
282 HA3 GLY 33 1HA GLY 33 -1.203 -11.765 7.633
283 H ALA 34 H ALA 34 0.513 -9.454 5.835
284 HA ALA 34 HA ALA 34 2.041 -8.530 7.979
285 HB1 ALA 34 1HB ALA 34 3.025 -8.171 5.907
286 HB2 ALA 34 2HB ALA 34 2.474 -6.548 6.314
287 HB3 ALA 34 3HB ALA 34 1.542 -7.538 5.195
288 H THR 35 H THR 35 2.125 -5.810 7.898
289 HA THR 35 HA THR 35 -0.469 -5.012 9.093
290 HB THR 35 HB THR 35 0.725 -3.615 10.595
291 HG1 THR 35 1HG THR 35 2.458 -2.677 9.926
292 HG21 THR 35 1HG2 THR 35 0.936 -6.192 10.850
293 HG22 THR 35 2HG2 THR 35 1.995 -5.169 11.822
294 HG23 THR 35 3HG2 THR 35 2.614 -5.950 10.365
295 H TYR 36 H TYR 36 -1.276 -2.952 8.580
296 HA TYR 36 HA TYR 36 -0.927 -2.062 5.946
297 HB2 TYR 36 2HB TYR 36 -1.934 -0.418 8.269
298 HB3 TYR 36 1HB TYR 36 -2.291 -0.172 6.562
299 HD1 TYR 36 1HD TYR 36 -3.079 -2.590 5.405
300 HD2 TYR 36 2HD TYR 36 -3.679 -1.334 9.471
301 HE1 TYR 36 1HE TYR 36 -5.017 -4.132 5.591
302 HE2 TYR 36 2HE TYR 36 -5.612 -2.873 9.660
303 HH TYR 36 HH TYR 36 -6.177 -5.358 7.666
304 H GLU 37 H GLU 37 0.445 -0.833 8.985
305 HA GLU 37 HA GLU 37 1.743 1.404 7.888
306 HB2 GLU 37 2HB GLU 37 1.402 1.021 10.325
307 HB3 GLU 37 1HB GLU 37 2.616 -0.257 10.257
308 HG2 GLU 37 2HG GLU 37 4.307 1.346 9.512
309 HG3 GLU 37 1HG GLU 37 3.102 2.632 9.488
310 H GLN 38 H GLN 38 3.010 -1.851 8.582
311 HA GLN 38 HA GLN 38 5.594 -1.373 7.629
312 HB2 GLN 38 2HB GLN 38 4.880 -3.366 8.919
313 HB3 GLN 38 1HB GLN 38 4.073 -3.977 7.479
314 HG2 GLN 38 2HG GLN 38 6.219 -3.937 6.270
315 HG3 GLN 38 1HG GLN 38 7.030 -3.358 7.724
316 HE21 GLN 38 1HE2 GLN 38 8.278 -5.228 8.297
317 HE22 GLN 38 2HE2 GLN 38 7.579 -6.741 8.617
318 H ILE 39 H ILE 39 2.689 -2.439 5.894
319 HA ILE 39 HA ILE 39 3.960 -2.956 3.437
320 HB ILE 39 HB ILE 39 1.103 -2.202 4.065
321 HG12 ILE 39 2HG1 ILE 39 2.224 -4.904 3.329
322 HG13 ILE 39 1HG1 ILE 39 2.243 -4.353 5.003
323 HG21 ILE 39 1HG2 ILE 39 2.377 -3.369 1.560
324 HG22 ILE 39 2HG2 ILE 39 1.620 -1.777 1.687
325 HG23 ILE 39 3HG2 ILE 39 0.640 -3.232 1.838
326 HD11 ILE 39 1HD1 ILE 39 0.194 -5.614 4.627
327 HD12 ILE 39 2HD1 ILE 39 -0.192 -4.614 3.222
328 HD13 ILE 39 3HD1 ILE 39 -0.207 -3.915 4.839
329 H LYS 40 H LYS 40 2.362 0.099 4.648
330 HA LYS 40 HA LYS 40 2.911 1.374 2.147
331 HB2 LYS 40 2HB LYS 40 2.712 3.588 3.291
332 HB3 LYS 40 1HB LYS 40 1.275 2.544 3.433
333 HG2 LYS 40 2HG LYS 40 1.747 1.992 5.682
334 HG3 LYS 40 1HG LYS 40 3.415 2.573 5.565
335 HD2 LYS 40 2HD LYS 40 2.565 4.882 5.227
336 HD3 LYS 40 1HD LYS 40 0.915 4.289 5.405
337 HE2 LYS 40 2HE LYS 40 1.331 3.626 7.688
338 HE3 LYS 40 1HE LYS 40 3.052 3.980 7.533
339 HZ1 LYS 40 1HZ LYS 40 2.693 6.181 7.719
340 HZ2 LYS 40 2HZ LYS 40 1.276 5.685 8.518
341 HZ3 LYS 40 3HZ LYS 40 1.220 6.136 6.880
342 H GLU 41 H GLU 41 4.742 0.907 5.122
343 HA GLU 41 HA GLU 41 6.752 2.761 4.695
344 HB2 GLU 41 2HB GLU 41 6.524 1.428 6.768
345 HB3 GLU 41 1HB GLU 41 7.074 0.001 5.887
346 HG2 GLU 41 2HG GLU 41 9.204 1.096 5.388
347 HG3 GLU 41 1HG GLU 41 8.656 2.569 6.188
348 H TRP 42 H TRP 42 6.538 -0.625 3.603
349 HA TRP 42 HA TRP 42 9.000 -0.670 2.204
350 HB2 TRP 42 2HB TRP 42 6.422 -2.151 1.602
351 HB3 TRP 42 1HB TRP 42 7.973 -2.504 0.861
352 HD1 TRP 42 HD TRP 42 9.705 -2.271 3.641
353 HE1 TRP 42 1HE TRP 42 9.527 -4.234 5.297
354 HE3 TRP 42 3HE TRP 42 5.297 -4.327 2.098
355 HZ2 TRP 42 2HZ TRP 42 7.751 -6.398 5.888
356 HZ3 TRP 42 3HZ TRP 42 4.385 -6.335 3.220
357 HH2 TRP 42 HH TRP 42 5.604 -7.375 5.115
358 H ILE 43 H ILE 43 5.716 0.197 1.224
359 HA ILE 43 HA ILE 43 6.278 0.603 -1.514
360 HB ILE 43 HB ILE 43 4.125 1.773 0.254
361 HG12 ILE 43 2HG1 ILE 43 3.995 -0.395 -1.856
362 HG13 ILE 43 1HG1 ILE 43 4.221 -0.734 -0.140
363 HG21 ILE 43 1HG2 ILE 43 4.568 1.912 -2.734
364 HG22 ILE 43 2HG2 ILE 43 4.292 3.247 -1.621
365 HG23 ILE 43 3HG2 ILE 43 2.979 2.134 -1.999
366 HD11 ILE 43 1HD1 ILE 43 2.092 0.076 0.431
367 HD12 ILE 43 2HD1 ILE 43 1.794 -0.747 -1.101
368 HD13 ILE 43 3HD1 ILE 43 1.945 1.012 -1.056
369 H GLU 44 H GLU 44 6.227 2.980 1.153
370 HA GLU 44 HA GLU 44 6.794 5.091 -0.599
371 HB2 GLU 44 2HB GLU 44 7.033 6.504 1.331
372 HB3 GLU 44 1HB GLU 44 5.642 5.439 1.548
373 HG2 GLU 44 2HG GLU 44 6.486 4.655 3.480
374 HG3 GLU 44 1HG GLU 44 7.953 4.136 2.664
375 H ASN 45 H ASN 45 8.897 2.884 1.238
376 HA ASN 45 HA ASN 45 11.306 4.285 0.804
377 HB2 ASN 45 2HB ASN 45 11.167 2.447 2.399
378 HB3 ASN 45 1HB ASN 45 10.766 1.316 1.106
379 HD21 ASN 45 1HD2 ASN 45 12.603 0.023 0.824
380 HD22 ASN 45 2HD2 ASN 45 14.185 0.623 0.669
381 H ALA 46 H ALA 46 9.589 1.827 -1.154
382 HA ALA 46 HA ALA 46 11.567 1.646 -3.182
383 HB1 ALA 46 1HB ALA 46 8.593 1.206 -3.499
384 HB2 ALA 46 2HB ALA 46 9.698 0.014 -2.815
385 HB3 ALA 46 3HB ALA 46 9.883 0.530 -4.493
386 H LEU 47 H LEU 47 8.676 3.652 -2.814
387 HA LEU 47 HA LEU 47 8.666 4.906 -5.304
388 HB2 LEU 47 2HB LEU 47 6.999 4.951 -3.257
389 HB3 LEU 47 1HB LEU 47 7.914 6.375 -2.793
390 HG LEU 47 HG LEU 47 6.088 7.195 -4.071
391 HD11 LEU 47 1HD1 LEU 47 8.404 8.048 -4.716
392 HD12 LEU 47 2HD1 LEU 47 7.130 8.304 -5.904
393 HD13 LEU 47 3HD1 LEU 47 8.291 7.000 -6.133
394 HD21 LEU 47 1HD2 LEU 47 5.660 4.832 -5.084
395 HD22 LEU 47 2HD2 LEU 47 6.719 5.369 -6.389
396 HD23 LEU 47 3HD2 LEU 47 5.232 6.245 -6.045
397 H GLY 48 H GLY 48 10.304 5.846 -2.264
398 HA2 GLY 48 2HA GLY 48 11.404 8.256 -3.214
399 HA3 GLY 48 1HA GLY 48 12.039 7.298 -1.877
400 H TRP 49 H TRP 49 12.626 4.926 -3.206
401 HA TRP 49 HA TRP 49 14.328 5.548 -5.475
402 HB2 TRP 49 2HB TRP 49 16.371 4.630 -4.367
403 HB3 TRP 49 1HB TRP 49 15.831 6.165 -3.692
404 HD1 TRP 49 HD TRP 49 14.696 6.137 -1.296
405 HE1 TRP 49 1HE TRP 49 14.814 4.432 0.633
406 HE3 TRP 49 3HE TRP 49 16.549 2.100 -3.805
407 HZ2 TRP 49 2HZ TRP 49 15.597 1.712 1.057
408 HZ3 TRP 49 3HZ TRP 49 16.975 -0.034 -2.619
409 HH2 TRP 49 HH TRP 49 16.501 -0.232 -0.193
410 H ARG 50 H ARG 50 15.259 3.617 -6.459
411 HA ARG 50 HA ARG 50 14.716 0.995 -5.533
412 HB2 ARG 50 2HB ARG 50 12.954 0.343 -7.120
413 HB3 ARG 50 1HB ARG 50 12.374 1.586 -6.011
414 HG2 ARG 50 2HG ARG 50 12.811 3.317 -7.708
415 HG3 ARG 50 1HG ARG 50 13.409 2.088 -8.820
416 HD2 ARG 50 2HD ARG 50 10.612 2.109 -7.658
417 HD3 ARG 50 1HD ARG 50 11.031 2.740 -9.248
418 HE ARG 50 HE ARG 50 11.990 0.110 -9.103
419 HH11 ARG 50 1HH1 ARG 50 10.790 -1.564 -10.056
420 HH12 ARG 50 2HH1 ARG 50 9.092 -1.360 -10.331
421 HH21 ARG 50 1HH2 ARG 50 9.007 1.862 -9.040
422 HH22 ARG 50 2HH2 ARG 50 8.081 0.585 -9.754
Start of MODEL 10
1 H FME 1 H FME 1 -11.799 -4.049 -0.166
2 HCN FME 1 HF FME 1 -12.019 -6.345 0.211
3 HA FME 1 HA FME 1 -9.511 -4.097 1.582
4 HB2 FME 1 1HB FME 1 -8.408 -5.028 -0.346
5 HB3 FME 1 2HB FME 1 -7.911 -3.345 -0.196
6 HG2 FME 1 1HG FME 1 -9.993 -2.948 -1.804
7 HG3 FME 1 2HG FME 1 -9.676 -4.625 -2.245
8 HE1 FME 1 1HE FME 1 -6.815 -4.629 -4.474
9 HE2 FME 1 2HE FME 1 -8.533 -4.979 -4.313
10 HE3 FME 1 3HE FME 1 -7.409 -5.539 -3.078
11 H ALA 2 H ALA 2 -12.124 -2.664 0.879
12 HA ALA 2 HA ALA 2 -11.581 -0.061 -0.004
13 HB1 ALA 2 1HB ALA 2 -13.854 -0.949 0.193
14 HB2 ALA 2 2HB ALA 2 -13.689 0.553 1.100
15 HB3 ALA 2 3HB ALA 2 -13.695 -0.993 1.949
16 H GLY 3 H GLY 3 -11.688 -1.358 3.320
17 HA2 GLY 3 2HA GLY 3 -11.109 1.071 4.635
18 HA3 GLY 3 1HA GLY 3 -10.813 -0.541 5.287
19 H LEU 4 H LEU 4 -9.068 -1.495 3.371
20 HA LEU 4 HA LEU 4 -6.586 -0.608 4.307
21 HB2 LEU 4 2HB LEU 4 -7.070 -2.857 3.407
22 HB3 LEU 4 1HB LEU 4 -7.348 -2.178 1.814
23 HG LEU 4 HG LEU 4 -5.057 -3.340 2.442
24 HD11 LEU 4 1HD1 LEU 4 -3.917 -1.614 0.861
25 HD12 LEU 4 2HD1 LEU 4 -5.532 -0.919 0.743
26 HD13 LEU 4 3HD1 LEU 4 -5.256 -2.588 0.261
27 HD21 LEU 4 1HD2 LEU 4 -3.345 -1.871 3.222
28 HD22 LEU 4 2HD2 LEU 4 -4.664 -1.779 4.381
29 HD23 LEU 4 3HD2 LEU 4 -4.426 -0.492 3.209
30 H LEU 5 H LEU 5 -8.297 0.063 1.264
31 HA LEU 5 HA LEU 5 -6.319 1.722 0.102
32 HB2 LEU 5 2HB LEU 5 -9.314 1.570 -0.281
33 HB3 LEU 5 1HB LEU 5 -8.266 2.595 -1.260
34 HG LEU 5 HG LEU 5 -7.894 -0.398 -0.943
35 HD11 LEU 5 1HD1 LEU 5 -9.177 1.166 -3.203
36 HD12 LEU 5 2HD1 LEU 5 -10.009 0.069 -2.100
37 HD13 LEU 5 3HD1 LEU 5 -8.817 -0.561 -3.237
38 HD21 LEU 5 1HD2 LEU 5 -5.825 0.336 -1.659
39 HD22 LEU 5 2HD2 LEU 5 -6.472 1.786 -2.422
40 HD23 LEU 5 3HD2 LEU 5 -6.620 0.225 -3.225
41 H ARG 6 H ARG 6 -9.149 2.454 2.134
42 HA ARG 6 HA ARG 6 -8.971 5.252 2.047
43 HB2 ARG 6 2HB ARG 6 -10.900 3.999 2.981
44 HB3 ARG 6 1HB ARG 6 -9.907 3.524 4.354
45 HG2 ARG 6 2HG ARG 6 -9.946 6.451 3.783
46 HG3 ARG 6 1HG ARG 6 -11.481 5.773 4.305
47 HD2 ARG 6 2HD ARG 6 -10.365 4.795 6.286
48 HD3 ARG 6 1HD ARG 6 -8.842 5.508 5.769
49 HE ARG 6 HE ARG 6 -10.910 7.473 5.980
50 HH11 ARG 6 1HH1 ARG 6 -10.753 8.924 7.704
51 HH12 ARG 6 2HH1 ARG 6 -9.725 8.561 9.050
52 HH21 ARG 6 1HH2 ARG 6 -8.676 5.513 7.746
53 HH22 ARG 6 2HH2 ARG 6 -8.534 6.622 9.070
54 H PHE 7 H PHE 7 -7.494 2.912 4.263
55 HA PHE 7 HA PHE 7 -6.245 4.745 5.974
56 HB2 PHE 7 2HB PHE 7 -6.507 2.305 6.393
57 HB3 PHE 7 1HB PHE 7 -5.278 1.998 5.168
58 HD1 PHE 7 1HD PHE 7 -2.948 2.329 5.617
59 HD2 PHE 7 2HD PHE 7 -5.899 3.546 8.497
60 HE1 PHE 7 1HE PHE 7 -1.169 2.620 7.318
61 HE2 PHE 7 2HE PHE 7 -4.114 3.837 10.198
62 HZ PHE 7 HZ PHE 7 -1.749 3.370 9.608
63 H LEU 8 H LEU 8 -5.035 3.145 3.007
64 HA LEU 8 HA LEU 8 -2.447 4.261 3.172
65 HB2 LEU 8 2HB LEU 8 -4.069 3.242 0.854
66 HB3 LEU 8 1HB LEU 8 -2.422 3.839 0.647
67 HG LEU 8 HG LEU 8 -3.009 1.793 2.773
68 HD11 LEU 8 1HD1 LEU 8 -3.985 0.751 0.868
69 HD12 LEU 8 2HD1 LEU 8 -2.368 0.065 1.007
70 HD13 LEU 8 3HD1 LEU 8 -2.698 1.313 -0.197
71 HD21 LEU 8 1HD2 LEU 8 -0.579 1.905 0.995
72 HD22 LEU 8 2HD2 LEU 8 -0.717 1.320 2.650
73 HD23 LEU 8 3HD2 LEU 8 -0.726 3.049 2.328
74 H LEU 9 H LEU 9 -5.401 5.423 1.659
75 HA LEU 9 HA LEU 9 -4.330 7.703 0.387
76 HB2 LEU 9 2HB LEU 9 -6.562 6.773 -0.049
77 HB3 LEU 9 1HB LEU 9 -7.093 7.271 1.546
78 HG LEU 9 HG LEU 9 -6.569 9.637 0.950
79 HD11 LEU 9 1HD1 LEU 9 -6.389 9.905 -1.685
80 HD12 LEU 9 2HD1 LEU 9 -5.698 8.286 -1.579
81 HD13 LEU 9 3HD1 LEU 9 -4.947 9.622 -0.709
82 HD21 LEU 9 1HD2 LEU 9 -8.865 8.813 0.647
83 HD22 LEU 9 2HD2 LEU 9 -8.452 8.207 -0.956
84 HD23 LEU 9 3HD2 LEU 9 -8.455 9.943 -0.644
85 H SER 10 H SER 10 -5.813 7.292 3.600
86 HA SER 10 HA SER 10 -5.699 9.979 4.388
87 HB2 SER 10 2HB SER 10 -5.480 7.501 6.108
88 HB3 SER 10 1HB SER 10 -5.858 9.121 6.688
89 HG SER 10 HG SER 10 -7.366 8.136 4.568
90 H LYS 11 H LYS 11 -3.310 7.378 4.623
91 HA LYS 11 HA LYS 11 -1.436 8.959 6.114
92 HB2 LYS 11 2HB LYS 11 -1.049 6.483 4.431
93 HB3 LYS 11 1HB LYS 11 0.208 7.205 5.427
94 HG2 LYS 11 2HG LYS 11 -2.468 6.267 6.511
95 HG3 LYS 11 1HG LYS 11 -1.006 5.286 6.525
96 HD2 LYS 11 2HD LYS 11 0.077 7.332 7.732
97 HD3 LYS 11 1HD LYS 11 -1.585 7.816 8.056
98 HE2 LYS 11 2HE LYS 11 -2.048 5.729 9.182
99 HE3 LYS 11 1HE LYS 11 -0.447 5.105 8.766
100 HZ1 LYS 11 1HZ LYS 11 0.478 7.050 9.996
101 HZ2 LYS 11 2HZ LYS 11 -0.341 5.926 10.971
102 HZ3 LYS 11 3HZ LYS 11 -1.091 7.390 10.544
103 H GLY 12 H GLY 12 -1.746 8.217 2.655
104 HA2 GLY 12 2HA GLY 12 -0.552 10.706 1.894
105 HA3 GLY 12 1HA GLY 12 0.533 9.343 1.624
106 H ARG 13 H ARG 13 -0.502 10.982 -0.423
107 HA ARG 13 HA ARG 13 -2.682 9.592 -1.731
108 HB2 ARG 13 2HB ARG 13 -0.828 11.805 -2.622
109 HB3 ARG 13 1HB ARG 13 -2.126 11.153 -3.621
110 HG2 ARG 13 2HG ARG 13 -3.770 11.755 -1.876
111 HG3 ARG 13 1HG ARG 13 -2.470 12.415 -0.882
112 HD2 ARG 13 2HD ARG 13 -3.117 13.377 -3.680
113 HD3 ARG 13 1HD ARG 13 -3.686 14.163 -2.207
114 HE ARG 13 HE ARG 13 -0.889 13.863 -2.046
115 HH11 ARG 13 1HH1 ARG 13 0.441 15.631 -2.496
116 HH12 ARG 13 2HH1 ARG 13 -0.175 16.963 -3.417
117 HH21 ARG 13 1HH2 ARG 13 -3.333 15.575 -3.798
118 HH22 ARG 13 2HH2 ARG 13 -2.317 16.929 -4.159
119 H ALA 14 H ALA 14 0.795 9.724 -1.835
120 HA ALA 14 HA ALA 14 1.264 8.419 -4.270
121 HB1 ALA 14 1HB ALA 14 2.870 9.609 -2.565
122 HB2 ALA 14 2HB ALA 14 3.472 8.308 -3.595
123 HB3 ALA 14 3HB ALA 14 3.055 7.980 -1.913
124 H LEU 15 H LEU 15 0.873 7.108 -0.992
125 HA LEU 15 HA LEU 15 1.402 4.412 -1.601
126 HB2 LEU 15 2HB LEU 15 -0.561 5.420 0.470
127 HB3 LEU 15 1HB LEU 15 0.360 3.922 0.502
128 HG LEU 15 HG LEU 15 1.651 6.661 0.510
129 HD11 LEU 15 1HD1 LEU 15 0.485 6.581 2.562
130 HD12 LEU 15 2HD1 LEU 15 2.112 6.025 2.953
131 HD13 LEU 15 3HD1 LEU 15 0.802 4.863 2.766
132 HD21 LEU 15 1HD2 LEU 15 3.188 5.012 -0.247
133 HD22 LEU 15 2HD2 LEU 15 2.622 3.835 0.936
134 HD23 LEU 15 3HD2 LEU 15 3.544 5.241 1.462
135 H TYR 16 H TYR 16 -1.637 6.287 -1.600
136 HA TYR 16 HA TYR 16 -3.414 4.175 -2.179
137 HB2 TYR 16 2HB TYR 16 -4.252 6.333 -1.456
138 HB3 TYR 16 1HB TYR 16 -3.580 7.117 -2.883
139 HD1 TYR 16 1HD TYR 16 -4.762 7.134 -4.951
140 HD2 TYR 16 2HD TYR 16 -6.064 4.584 -1.751
141 HE1 TYR 16 1HE TYR 16 -6.857 6.647 -6.195
142 HE2 TYR 16 2HE TYR 16 -8.158 4.098 -2.987
143 HH TYR 16 HH TYR 16 -9.356 5.879 -5.350
144 H ASN 17 H ASN 17 -1.665 6.404 -4.303
145 HA ASN 17 HA ASN 17 -2.725 5.483 -6.746
146 HB2 ASN 17 2HB ASN 17 -1.438 7.582 -6.535
147 HB3 ASN 17 1HB ASN 17 0.017 6.646 -6.192
148 HD21 ASN 17 1HD2 ASN 17 0.005 8.340 -8.456
149 HD22 ASN 17 2HD2 ASN 17 -0.037 7.391 -9.864
150 H TRP 18 H TRP 18 0.151 4.498 -4.912
151 HA TRP 18 HA TRP 18 1.179 2.636 -6.740
152 HB2 TRP 18 2HB TRP 18 2.552 3.294 -4.902
153 HB3 TRP 18 1HB TRP 18 1.321 2.832 -3.727
154 HD1 TRP 18 HD TRP 18 0.891 0.208 -3.365
155 HE1 TRP 18 1HE TRP 18 2.452 -1.817 -3.677
156 HE3 TRP 18 3HE TRP 18 4.513 2.323 -6.281
157 HZ2 TRP 18 2HZ TRP 18 4.902 -2.459 -4.983
158 HZ3 TRP 18 3HZ TRP 18 6.453 0.978 -7.041
159 HH2 TRP 18 HH TRP 18 6.651 -1.410 -6.395
160 H ALA 19 H ALA 19 -1.136 2.208 -4.062
161 HA ALA 19 HA ALA 19 -1.450 -0.576 -4.318
162 HB1 ALA 19 1HB ALA 19 -3.744 -0.099 -3.269
163 HB2 ALA 19 2HB ALA 19 -3.240 1.591 -3.245
164 HB3 ALA 19 3HB ALA 19 -2.318 0.381 -2.351
165 H LYS 20 H LYS 20 -3.220 2.109 -5.816
166 HA LYS 20 HA LYS 20 -5.152 0.561 -7.178
167 HB2 LYS 20 2HB LYS 20 -5.316 3.017 -6.842
168 HB3 LYS 20 1HB LYS 20 -3.996 3.238 -7.989
169 HG2 LYS 20 2HG LYS 20 -5.318 2.150 -9.755
170 HG3 LYS 20 1HG LYS 20 -6.642 1.892 -8.618
171 HD2 LYS 20 2HD LYS 20 -6.840 4.341 -8.308
172 HD3 LYS 20 1HD LYS 20 -5.535 4.581 -9.471
173 HE2 LYS 20 2HE LYS 20 -7.695 4.849 -10.599
174 HE3 LYS 20 1HE LYS 20 -6.878 3.406 -11.198
175 HZ1 LYS 20 1HZ LYS 20 -8.732 3.183 -8.927
176 HZ2 LYS 20 2HZ LYS 20 -8.305 2.016 -10.087
177 HZ3 LYS 20 3HZ LYS 20 -9.355 3.286 -10.502
178 H SER 21 H SER 21 -1.979 1.799 -8.167
179 HA SER 21 HA SER 21 -2.037 0.954 -10.837
180 HB2 SER 21 2HB SER 21 0.324 1.278 -8.976
181 HB3 SER 21 1HB SER 21 0.425 1.132 -10.728
182 HG SER 21 HG SER 21 0.381 3.297 -10.244
183 H HIS 22 H HIS 22 -0.902 -0.742 -7.903
184 HA HIS 22 HA HIS 22 -0.789 -3.234 -9.524
185 HB2 HIS 22 2HB HIS 22 1.006 -2.347 -7.257
186 HB3 HIS 22 1HB HIS 22 1.000 -3.971 -7.943
187 HD1 HIS 22 1HD HIS 22 1.453 -4.019 -10.657
188 HD2 HIS 22 2HD HIS 22 2.617 -0.583 -8.607
189 HE1 HIS 22 1HE HIS 22 3.113 -2.822 -12.150
190 HE2 HIS 22 2HE HIS 22 3.834 -0.724 -10.912
191 H VAL 23 H VAL 23 -2.890 -3.786 -8.971
192 HA VAL 23 HA VAL 23 -3.816 -3.858 -6.294
193 HB VAL 23 HB VAL 23 -5.634 -5.311 -7.212
194 HG11 VAL 23 1HG1 VAL 23 -6.023 -2.973 -7.350
195 HG12 VAL 23 2HG1 VAL 23 -6.373 -3.588 -8.965
196 HG13 VAL 23 3HG1 VAL 23 -4.842 -2.774 -8.646
197 HG21 VAL 23 1HG2 VAL 23 -4.316 -6.535 -8.885
198 HG22 VAL 23 2HG2 VAL 23 -4.016 -5.037 -9.767
199 HG23 VAL 23 3HG2 VAL 23 -5.652 -5.691 -9.669
200 H GLY 24 H GLY 24 -1.885 -5.946 -8.247
201 HA2 GLY 24 2HA GLY 24 -2.266 -8.403 -6.910
202 HA3 GLY 24 1HA GLY 24 -0.829 -7.946 -7.825
203 H LYS 25 H LYS 25 -0.105 -5.656 -6.294
204 HA LYS 25 HA LYS 25 1.399 -6.856 -4.215
205 HB2 LYS 25 2HB LYS 25 0.738 -3.941 -4.743
206 HB3 LYS 25 1HB LYS 25 1.955 -4.501 -3.596
207 HG2 LYS 25 2HG LYS 25 2.063 -5.458 -6.444
208 HG3 LYS 25 1HG LYS 25 2.683 -3.855 -6.042
209 HD2 LYS 25 2HD LYS 25 4.153 -4.860 -4.324
210 HD3 LYS 25 1HD LYS 25 3.561 -6.458 -4.750
211 HE2 LYS 25 2HE LYS 25 5.660 -6.096 -5.884
212 HE3 LYS 25 1HE LYS 25 4.370 -6.099 -7.080
213 HZ1 LYS 25 1HZ LYS 25 4.362 -3.580 -6.713
214 HZ2 LYS 25 2HZ LYS 25 5.628 -4.255 -7.625
215 HZ3 LYS 25 3HZ LYS 25 5.888 -3.813 -6.007
216 H VAL 26 H VAL 26 -1.620 -5.044 -4.258
217 HA VAL 26 HA VAL 26 -1.992 -4.785 -1.478
218 HB VAL 26 HB VAL 26 -3.977 -4.966 -3.753
219 HG11 VAL 26 1HG1 VAL 26 -4.337 -4.594 -0.792
220 HG12 VAL 26 2HG1 VAL 26 -5.284 -5.573 -1.913
221 HG13 VAL 26 3HG1 VAL 26 -5.451 -3.817 -1.917
222 HG21 VAL 26 1HG2 VAL 26 -2.366 -3.002 -3.617
223 HG22 VAL 26 2HG2 VAL 26 -3.112 -2.591 -2.072
224 HG23 VAL 26 3HG2 VAL 26 -4.072 -2.562 -3.550
225 H TRP 27 H TRP 27 -3.044 -7.248 -3.778
226 HA TRP 27 HA TRP 27 -4.419 -8.894 -1.946
227 HB2 TRP 27 2HB TRP 27 -3.089 -9.415 -4.596
228 HB3 TRP 27 1HB TRP 27 -3.858 -10.714 -3.685
229 HD1 TRP 27 HD TRP 27 -5.048 -7.073 -4.111
230 HE1 TRP 27 1HE TRP 27 -7.414 -7.110 -5.128
231 HE3 TRP 27 3HE TRP 27 -5.619 -12.100 -4.842
232 HZ2 TRP 27 2HZ TRP 27 -9.300 -9.011 -6.109
233 HZ3 TRP 27 3HZ TRP 27 -7.716 -12.993 -5.815
234 HH2 TRP 27 HH TRP 27 -9.555 -11.455 -6.450
235 H GLU 28 H GLU 28 -1.048 -8.921 -3.058
236 HA GLU 28 HA GLU 28 -0.183 -11.218 -1.761
237 HB2 GLU 28 2HB GLU 28 1.168 -10.016 -3.450
238 HB3 GLU 28 1HB GLU 28 1.428 -8.708 -2.295
239 HG2 GLU 28 2HG GLU 28 2.543 -10.267 -0.750
240 HG3 GLU 28 1HG GLU 28 2.254 -11.599 -1.869
241 H TRP 29 H TRP 29 -0.212 -7.819 -0.551
242 HA TRP 29 HA TRP 29 0.974 -8.512 1.945
243 HB2 TRP 29 2HB TRP 29 -0.897 -6.183 1.661
244 HB3 TRP 29 1HB TRP 29 0.480 -6.361 2.725
245 HD1 TRP 29 HD TRP 29 -0.401 -4.333 0.074
246 HE1 TRP 29 1HE TRP 29 1.560 -3.638 -1.436
247 HE3 TRP 29 3HE TRP 29 3.068 -7.818 1.461
248 HZ2 TRP 29 2HZ TRP 29 4.248 -4.440 -1.978
249 HZ3 TRP 29 3HZ TRP 29 5.302 -7.802 0.452
250 HH2 TRP 29 HH TRP 29 5.915 -6.138 -1.267
251 H LEU 30 H LEU 30 -2.396 -8.279 0.884
252 HA LEU 30 HA LEU 30 -3.564 -8.599 3.437
253 HB2 LEU 30 2HB LEU 30 -4.459 -8.989 0.621
254 HB3 LEU 30 1HB LEU 30 -5.426 -9.751 1.874
255 HG LEU 30 HG LEU 30 -6.055 -7.348 1.128
256 HD11 LEU 30 1HD1 LEU 30 -5.618 -7.754 4.095
257 HD12 LEU 30 2HD1 LEU 30 -6.882 -8.584 3.183
258 HD13 LEU 30 3HD1 LEU 30 -6.894 -6.825 3.310
259 HD21 LEU 30 1HD2 LEU 30 -4.816 -5.532 1.833
260 HD22 LEU 30 2HD2 LEU 30 -3.511 -6.665 1.521
261 HD23 LEU 30 3HD2 LEU 30 -4.075 -6.401 3.171
262 H LYS 31 H LYS 31 -2.540 -10.985 1.007
263 HA LYS 31 HA LYS 31 -3.416 -13.284 2.389
264 HB2 LYS 31 2HB LYS 31 -2.710 -13.289 0.001
265 HB3 LYS 31 1HB LYS 31 -1.037 -13.050 0.518
266 HG2 LYS 31 2HG LYS 31 -1.108 -15.147 1.795
267 HG3 LYS 31 1HG LYS 31 -2.796 -15.379 1.343
268 HD2 LYS 31 2HD LYS 31 -2.146 -15.493 -1.038
269 HD3 LYS 31 1HD LYS 31 -0.454 -15.274 -0.583
270 HE2 LYS 31 2HE LYS 31 -0.535 -17.348 0.747
271 HE3 LYS 31 1HE LYS 31 -2.230 -17.570 0.307
272 HZ1 LYS 31 1HZ LYS 31 -0.183 -18.601 -1.062
273 HZ2 LYS 31 2HZ LYS 31 -0.419 -17.149 -1.911
274 HZ3 LYS 31 3HZ LYS 31 -1.696 -18.256 -1.746
275 H SER 32 H SER 32 -0.318 -11.552 2.410
276 HA SER 32 HA SER 32 1.054 -13.280 4.182
277 HB2 SER 32 2HB SER 32 2.573 -11.361 4.533
278 HB3 SER 32 1HB SER 32 2.241 -11.636 2.825
279 HG SER 32 HG SER 32 2.052 -9.397 3.763
280 H GLY 33 H GLY 33 -1.096 -10.544 4.713
281 HA2 GLY 33 2HA GLY 33 -2.402 -10.192 6.638
282 HA3 GLY 33 1HA GLY 33 -1.381 -11.331 7.511
283 H ALA 34 H ALA 34 0.502 -9.192 5.747
284 HA ALA 34 HA ALA 34 1.800 -8.073 7.918
285 HB1 ALA 34 1HB ALA 34 2.696 -7.982 5.630
286 HB2 ALA 34 2HB ALA 34 2.663 -6.377 6.357
287 HB3 ALA 34 3HB ALA 34 1.436 -6.833 5.175
288 H THR 35 H THR 35 1.906 -5.543 8.174
289 HA THR 35 HA THR 35 -0.821 -4.700 8.925
290 HB THR 35 HB THR 35 0.168 -3.336 10.549
291 HG1 THR 35 1HG THR 35 2.496 -2.953 10.422
292 HG21 THR 35 1HG2 THR 35 0.601 -5.867 10.800
293 HG22 THR 35 2HG2 THR 35 1.555 -4.774 11.801
294 HG23 THR 35 3HG2 THR 35 2.266 -5.490 10.353
295 H TYR 36 H TYR 36 -1.463 -2.503 8.508
296 HA TYR 36 HA TYR 36 -1.024 -1.655 5.855
297 HB2 TYR 36 2HB TYR 36 -1.992 0.162 8.049
298 HB3 TYR 36 1HB TYR 36 -2.445 0.166 6.348
299 HD1 TYR 36 1HD TYR 36 -3.051 -2.618 5.743
300 HD2 TYR 36 2HD TYR 36 -3.886 -0.360 9.300
301 HE1 TYR 36 1HE TYR 36 -4.939 -4.105 6.225
302 HE2 TYR 36 2HE TYR 36 -5.801 -1.863 9.786
303 HH TYR 36 HH TYR 36 -6.312 -4.806 8.008
304 H GLU 37 H GLU 37 0.380 -0.577 8.899
305 HA GLU 37 HA GLU 37 1.771 1.643 7.896
306 HB2 GLU 37 2HB GLU 37 1.426 1.194 10.300
307 HB3 GLU 37 1HB GLU 37 2.549 -0.167 10.182
308 HG2 GLU 37 2HG GLU 37 4.341 1.326 9.484
309 HG3 GLU 37 1HG GLU 37 3.233 2.694 9.475
310 H GLN 38 H GLN 38 2.881 -1.673 8.460
311 HA GLN 38 HA GLN 38 5.470 -1.335 7.479
312 HB2 GLN 38 2HB GLN 38 4.819 -3.258 8.773
313 HB3 GLN 38 1HB GLN 38 3.710 -3.784 7.508
314 HG2 GLN 38 2HG GLN 38 5.559 -4.104 5.963
315 HG3 GLN 38 1HG GLN 38 6.695 -3.438 7.136
316 HE21 GLN 38 1HE2 GLN 38 4.885 -6.305 6.240
317 HE22 GLN 38 2HE2 GLN 38 5.508 -7.311 7.455
318 H ILE 39 H ILE 39 2.470 -2.238 5.780
319 HA ILE 39 HA ILE 39 3.655 -2.802 3.289
320 HB ILE 39 HB ILE 39 0.876 -1.810 3.944
321 HG12 ILE 39 2HG1 ILE 39 1.814 -4.565 3.146
322 HG13 ILE 39 1HG1 ILE 39 1.800 -4.065 4.830
323 HG21 ILE 39 1HG2 ILE 39 2.087 -2.964 1.397
324 HG22 ILE 39 2HG2 ILE 39 1.359 -1.362 1.585
325 HG23 ILE 39 3HG2 ILE 39 0.349 -2.808 1.676
326 HD11 ILE 39 1HD1 ILE 39 -0.546 -4.323 2.944
327 HD12 ILE 39 2HD1 ILE 39 -0.664 -3.412 4.445
328 HD13 ILE 39 3HD1 ILE 39 -0.304 -5.135 4.491
329 H LYS 40 H LYS 40 2.331 0.334 4.583
330 HA LYS 40 HA LYS 40 2.887 1.646 2.104
331 HB2 LYS 40 2HB LYS 40 2.815 3.812 3.247
332 HB3 LYS 40 1HB LYS 40 1.362 2.813 3.549
333 HG2 LYS 40 2HG LYS 40 2.112 2.258 5.747
334 HG3 LYS 40 1HG LYS 40 3.708 2.947 5.462
335 HD2 LYS 40 2HD LYS 40 2.632 5.173 5.113
336 HD3 LYS 40 1HD LYS 40 1.081 4.454 5.536
337 HE2 LYS 40 2HE LYS 40 1.882 3.917 7.764
338 HE3 LYS 40 1HE LYS 40 3.502 4.478 7.352
339 HZ1 LYS 40 1HZ LYS 40 2.911 6.559 7.752
340 HZ2 LYS 40 2HZ LYS 40 1.444 5.981 8.374
341 HZ3 LYS 40 3HZ LYS 40 1.556 6.440 6.740
342 H GLU 41 H GLU 41 4.735 1.054 5.033
343 HA GLU 41 HA GLU 41 6.857 2.804 4.583
344 HB2 GLU 41 2HB GLU 41 6.603 1.505 6.658
345 HB3 GLU 41 1HB GLU 41 6.980 0.027 5.775
346 HG2 GLU 41 2HG GLU 41 9.207 0.909 5.214
347 HG3 GLU 41 1HG GLU 41 8.827 2.422 6.042
348 H TRP 42 H TRP 42 6.405 -0.577 3.482
349 HA TRP 42 HA TRP 42 8.844 -0.720 2.044
350 HB2 TRP 42 2HB TRP 42 6.216 -2.112 1.462
351 HB3 TRP 42 1HB TRP 42 7.757 -2.515 0.722
352 HD1 TRP 42 HD TRP 42 9.464 -2.274 3.552
353 HE1 TRP 42 1HE TRP 42 9.246 -4.255 5.184
354 HE3 TRP 42 3HE TRP 42 5.075 -4.299 1.907
355 HZ2 TRP 42 2HZ TRP 42 7.458 -6.421 5.712
356 HZ3 TRP 42 3HZ TRP 42 4.137 -6.322 2.991
357 HH2 TRP 42 HH TRP 42 5.325 -7.385 4.889
358 H ILE 43 H ILE 43 5.600 0.274 1.083
359 HA ILE 43 HA ILE 43 6.150 0.663 -1.658
360 HB ILE 43 HB ILE 43 4.091 1.927 0.165
361 HG12 ILE 43 2HG1 ILE 43 3.785 -0.162 -2.006
362 HG13 ILE 43 1HG1 ILE 43 4.024 -0.574 -0.309
363 HG21 ILE 43 1HG2 ILE 43 4.528 2.138 -2.814
364 HG22 ILE 43 2HG2 ILE 43 4.276 3.445 -1.655
365 HG23 ILE 43 3HG2 ILE 43 2.937 2.375 -2.087
366 HD11 ILE 43 1HD1 ILE 43 1.783 1.223 -1.281
367 HD12 ILE 43 2HD1 ILE 43 1.968 0.526 0.328
368 HD13 ILE 43 3HD1 ILE 43 1.599 -0.515 -1.048
369 H GLU 44 H GLU 44 6.258 3.033 1.015
370 HA GLU 44 HA GLU 44 6.936 5.119 -0.735
371 HB2 GLU 44 2HB GLU 44 7.240 6.509 1.181
372 HB3 GLU 44 1HB GLU 44 5.802 5.500 1.429
373 HG2 GLU 44 2HG GLU 44 6.657 4.666 3.334
374 HG3 GLU 44 1HG GLU 44 8.101 4.100 2.502
375 H ASN 45 H ASN 45 8.912 2.808 1.093
376 HA ASN 45 HA ASN 45 11.376 4.114 0.650
377 HB2 ASN 45 2HB ASN 45 11.152 2.309 2.273
378 HB3 ASN 45 1HB ASN 45 10.749 1.169 0.989
379 HD21 ASN 45 1HD2 ASN 45 13.004 0.636 2.603
380 HD22 ASN 45 2HD2 ASN 45 14.414 0.867 1.686
381 H ALA 46 H ALA 46 9.563 1.717 -1.274
382 HA ALA 46 HA ALA 46 11.532 1.366 -3.280
383 HB1 ALA 46 1HB ALA 46 8.520 1.078 -3.385
384 HB2 ALA 46 2HB ALA 46 9.688 -0.201 -3.048
385 HB3 ALA 46 3HB ALA 46 9.621 0.534 -4.652
386 H LEU 47 H LEU 47 8.815 3.593 -2.928
387 HA LEU 47 HA LEU 47 8.903 4.800 -5.446
388 HB2 LEU 47 2HB LEU 47 7.204 5.032 -3.463
389 HB3 LEU 47 1HB LEU 47 8.252 6.348 -2.949
390 HG LEU 47 HG LEU 47 7.087 6.149 -5.744
391 HD11 LEU 47 1HD1 LEU 47 5.219 6.413 -4.283
392 HD12 LEU 47 2HD1 LEU 47 5.578 8.019 -4.917
393 HD13 LEU 47 3HD1 LEU 47 6.079 7.581 -3.283
394 HD21 LEU 47 1HD2 LEU 47 8.866 7.629 -5.935
395 HD22 LEU 47 2HD2 LEU 47 8.762 8.146 -4.256
396 HD23 LEU 47 3HD2 LEU 47 7.601 8.746 -5.440
397 H GLY 48 H GLY 48 10.571 5.649 -2.402
398 HA2 GLY 48 2HA GLY 48 11.881 7.952 -3.374
399 HA3 GLY 48 1HA GLY 48 12.393 6.987 -1.992
400 H TRP 49 H TRP 49 12.828 4.541 -3.268
401 HA TRP 49 HA TRP 49 14.615 4.896 -5.509
402 HB2 TRP 49 2HB TRP 49 16.098 5.628 -3.727
403 HB3 TRP 49 1HB TRP 49 15.731 4.179 -2.788
404 HD1 TRP 49 HD TRP 49 17.300 2.197 -3.150
405 HE1 TRP 49 1HE TRP 49 19.039 1.524 -4.932
406 HE3 TRP 49 3HE TRP 49 16.610 5.971 -6.517
407 HZ2 TRP 49 2HZ TRP 49 19.995 2.459 -7.467
408 HZ3 TRP 49 3HZ TRP 49 17.939 6.054 -8.607
409 HH2 TRP 49 HH TRP 49 19.630 4.306 -9.085
410 H ARG 50 H ARG 50 14.480 3.099 -6.715
411 HA ARG 50 HA ARG 50 13.422 0.645 -5.467
412 HB2 ARG 50 2HB ARG 50 12.217 1.595 -7.419
413 HB3 ARG 50 1HB ARG 50 13.674 1.378 -8.391
414 HG2 ARG 50 2HG ARG 50 13.615 -1.045 -7.954
415 HG3 ARG 50 1HG ARG 50 12.164 -0.836 -6.972
416 HD2 ARG 50 2HD ARG 50 12.360 -0.034 -9.887
417 HD3 ARG 50 1HD ARG 50 11.694 -1.567 -9.335
418 HE ARG 50 HE ARG 50 10.377 0.518 -7.974
419 HH11 ARG 50 1HH1 ARG 50 8.297 1.116 -8.663
420 HH12 ARG 50 2HH1 ARG 50 7.784 0.740 -10.274
421 HH21 ARG 50 1HH2 ARG 50 10.770 -0.771 -11.164
422 HH22 ARG 50 2HH2 ARG 50 9.182 -0.326 -11.688
Start of MODEL 11
1 H FME 1 H FME 1 -11.786 -4.933 1.501
2 HCN FME 1 HF FME 1 -11.271 -4.449 3.727
3 HA FME 1 HA FME 1 -9.324 -3.914 0.600
4 HB2 FME 1 1HB FME 1 -11.924 -3.915 -0.938
5 HB3 FME 1 2HB FME 1 -10.920 -5.347 -0.714
6 HG2 FME 1 1HG FME 1 -9.822 -2.773 -1.859
7 HG3 FME 1 2HG FME 1 -10.542 -4.024 -2.873
8 HE1 FME 1 1HE FME 1 -8.211 -3.461 -3.895
9 HE2 FME 1 2HE FME 1 -8.610 -5.137 -4.264
10 HE3 FME 1 3HE FME 1 -6.974 -4.718 -3.761
11 H ALA 2 H ALA 2 -12.538 -2.363 0.736
12 HA ALA 2 HA ALA 2 -11.691 0.136 -0.240
13 HB1 ALA 2 1HB ALA 2 -13.786 0.988 0.496
14 HB2 ALA 2 2HB ALA 2 -13.935 -0.255 1.737
15 HB3 ALA 2 3HB ALA 2 -14.086 -0.690 0.034
16 H GLY 3 H GLY 3 -11.886 -1.146 3.069
17 HA2 GLY 3 2HA GLY 3 -11.248 1.246 4.420
18 HA3 GLY 3 1HA GLY 3 -10.990 -0.375 5.048
19 H LEU 4 H LEU 4 -9.251 -1.357 3.163
20 HA LEU 4 HA LEU 4 -6.767 -0.525 4.121
21 HB2 LEU 4 2HB LEU 4 -7.306 -2.751 3.172
22 HB3 LEU 4 1HB LEU 4 -7.501 -2.030 1.588
23 HG LEU 4 HG LEU 4 -5.272 -3.255 2.219
24 HD11 LEU 4 1HD1 LEU 4 -4.067 -1.964 0.623
25 HD12 LEU 4 2HD1 LEU 4 -5.025 -0.529 0.952
26 HD13 LEU 4 3HD1 LEU 4 -5.756 -1.902 0.136
27 HD21 LEU 4 1HD2 LEU 4 -4.961 -1.891 4.315
28 HD22 LEU 4 2HD2 LEU 4 -4.624 -0.501 3.288
29 HD23 LEU 4 3HD2 LEU 4 -3.572 -1.910 3.237
30 H LEU 5 H LEU 5 -8.419 0.194 1.062
31 HA LEU 5 HA LEU 5 -6.364 1.769 -0.083
32 HB2 LEU 5 2HB LEU 5 -9.356 1.777 -0.501
33 HB3 LEU 5 1HB LEU 5 -8.222 2.682 -1.496
34 HG LEU 5 HG LEU 5 -8.065 -0.313 -1.085
35 HD11 LEU 5 1HD1 LEU 5 -9.415 1.343 -3.217
36 HD12 LEU 5 2HD1 LEU 5 -10.112 0.048 -2.243
37 HD13 LEU 5 3HD1 LEU 5 -8.929 -0.328 -3.497
38 HD21 LEU 5 1HD2 LEU 5 -6.593 1.706 -2.759
39 HD22 LEU 5 2HD2 LEU 5 -6.775 0.061 -3.364
40 HD23 LEU 5 3HD2 LEU 5 -5.951 0.352 -1.832
41 H ARG 6 H ARG 6 -9.199 2.608 1.907
42 HA ARG 6 HA ARG 6 -8.925 5.394 1.822
43 HB2 ARG 6 2HB ARG 6 -10.874 4.133 2.782
44 HB3 ARG 6 1HB ARG 6 -9.872 3.755 4.183
45 HG2 ARG 6 2HG ARG 6 -9.503 6.439 4.118
46 HG3 ARG 6 1HG ARG 6 -11.087 6.357 3.350
47 HD2 ARG 6 2HD ARG 6 -11.892 4.984 5.279
48 HD3 ARG 6 1HD ARG 6 -10.325 5.228 6.053
49 HE ARG 6 HE ARG 6 -11.596 7.694 5.283
50 HH11 ARG 6 1HH1 ARG 6 -12.273 9.017 6.981
51 HH12 ARG 6 2HH1 ARG 6 -12.411 8.374 8.582
52 HH21 ARG 6 1HH2 ARG 6 -11.389 5.184 7.660
53 HH22 ARG 6 2HH2 ARG 6 -11.910 6.193 8.966
54 H PHE 7 H PHE 7 -7.571 3.002 4.053
55 HA PHE 7 HA PHE 7 -6.317 4.763 5.822
56 HB2 PHE 7 2HB PHE 7 -6.612 2.327 6.199
57 HB3 PHE 7 1HB PHE 7 -5.406 2.005 4.955
58 HD1 PHE 7 1HD PHE 7 -3.121 1.933 5.502
59 HD2 PHE 7 2HD PHE 7 -5.888 3.829 8.187
60 HE1 PHE 7 1HE PHE 7 -1.319 2.175 7.190
61 HE2 PHE 7 2HE PHE 7 -4.086 4.072 9.873
62 HZ PHE 7 HZ PHE 7 -1.801 3.244 9.374
63 H LEU 8 H LEU 8 -5.083 3.201 2.855
64 HA LEU 8 HA LEU 8 -2.486 4.278 3.083
65 HB2 LEU 8 2HB LEU 8 -4.031 3.323 0.675
66 HB3 LEU 8 1HB LEU 8 -2.360 3.863 0.572
67 HG LEU 8 HG LEU 8 -3.166 1.707 2.538
68 HD11 LEU 8 1HD1 LEU 8 -2.064 1.137 -0.225
69 HD12 LEU 8 2HD1 LEU 8 -3.799 1.163 0.068
70 HD13 LEU 8 3HD1 LEU 8 -2.782 0.001 0.917
71 HD21 LEU 8 1HD2 LEU 8 -0.801 3.057 2.249
72 HD22 LEU 8 2HD2 LEU 8 -0.512 1.694 1.184
73 HD23 LEU 8 3HD2 LEU 8 -0.930 1.421 2.872
74 H LEU 9 H LEU 9 -5.391 5.471 1.477
75 HA LEU 9 HA LEU 9 -4.216 7.705 0.225
76 HB2 LEU 9 2HB LEU 9 -6.602 6.603 0.014
77 HB3 LEU 9 1HB LEU 9 -7.024 7.782 1.261
78 HG LEU 9 HG LEU 9 -5.681 8.463 -1.367
79 HD11 LEU 9 1HD1 LEU 9 -7.959 7.604 -1.688
80 HD12 LEU 9 2HD1 LEU 9 -7.897 9.336 -2.014
81 HD13 LEU 9 3HD1 LEU 9 -8.569 8.748 -0.492
82 HD21 LEU 9 1HD2 LEU 9 -6.517 10.018 1.056
83 HD22 LEU 9 2HD2 LEU 9 -6.751 10.774 -0.521
84 HD23 LEU 9 3HD2 LEU 9 -5.141 10.262 -0.019
85 H SER 10 H SER 10 -5.741 7.346 3.419
86 HA SER 10 HA SER 10 -5.585 10.051 4.165
87 HB2 SER 10 2HB SER 10 -5.810 9.210 6.473
88 HB3 SER 10 1HB SER 10 -6.952 8.437 5.375
89 HG SER 10 HG SER 10 -5.082 6.838 5.167
90 H LYS 11 H LYS 11 -3.266 7.370 4.534
91 HA LYS 11 HA LYS 11 -1.405 8.931 6.055
92 HB2 LYS 11 2HB LYS 11 -1.041 6.388 4.450
93 HB3 LYS 11 1HB LYS 11 0.185 7.072 5.517
94 HG2 LYS 11 2HG LYS 11 -2.607 6.275 6.410
95 HG3 LYS 11 1HG LYS 11 -1.181 5.259 6.599
96 HD2 LYS 11 2HD LYS 11 -0.167 7.359 7.806
97 HD3 LYS 11 1HD LYS 11 -1.853 7.845 7.986
98 HE2 LYS 11 2HE LYS 11 -2.382 5.706 9.067
99 HE3 LYS 11 1HE LYS 11 -0.703 5.198 8.890
100 HZ1 LYS 11 1HZ LYS 11 -0.468 6.101 10.908
101 HZ2 LYS 11 2HZ LYS 11 -1.888 7.025 10.785
102 HZ3 LYS 11 3HZ LYS 11 -0.443 7.586 10.089
103 H GLY 12 H GLY 12 -1.658 8.160 2.600
104 HA2 GLY 12 2HA GLY 12 -0.310 10.580 1.866
105 HA3 GLY 12 1HA GLY 12 0.701 9.161 1.611
106 H ARG 13 H ARG 13 -0.064 10.764 -0.507
107 HA ARG 13 HA ARG 13 -2.334 9.517 -1.855
108 HB2 ARG 13 2HB ARG 13 -0.404 11.694 -2.702
109 HB3 ARG 13 1HB ARG 13 -1.730 11.102 -3.704
110 HG2 ARG 13 2HG ARG 13 -3.349 11.736 -1.971
111 HG3 ARG 13 1HG ARG 13 -2.039 12.296 -0.934
112 HD2 ARG 13 2HD ARG 13 -2.594 13.408 -3.697
113 HD3 ARG 13 1HD ARG 13 -3.185 14.137 -2.208
114 HE ARG 13 HE ARG 13 -0.408 13.803 -1.954
115 HH11 ARG 13 1HH1 ARG 13 0.957 15.588 -2.281
116 HH12 ARG 13 2HH1 ARG 13 0.404 16.930 -3.227
117 HH21 ARG 13 1HH2 ARG 13 -2.708 15.551 -3.870
118 HH22 ARG 13 2HH2 ARG 13 -1.662 16.906 -4.136
119 H ALA 14 H ALA 14 1.160 9.493 -1.904
120 HA ALA 14 HA ALA 14 1.534 8.204 -4.381
121 HB1 ALA 14 1HB ALA 14 3.351 7.661 -2.061
122 HB2 ALA 14 2HB ALA 14 3.245 9.296 -2.710
123 HB3 ALA 14 3HB ALA 14 3.750 7.967 -3.751
124 H LEU 15 H LEU 15 1.033 6.933 -1.099
125 HA LEU 15 HA LEU 15 1.446 4.219 -1.681
126 HB2 LEU 15 2HB LEU 15 -0.503 5.381 0.328
127 HB3 LEU 15 1HB LEU 15 0.278 3.802 0.392
128 HG LEU 15 HG LEU 15 1.777 6.429 0.413
129 HD11 LEU 15 1HD1 LEU 15 0.832 4.641 2.651
130 HD12 LEU 15 2HD1 LEU 15 0.572 6.371 2.453
131 HD13 LEU 15 3HD1 LEU 15 2.179 5.764 2.849
132 HD21 LEU 15 1HD2 LEU 15 3.261 4.802 -0.358
133 HD22 LEU 15 2HD2 LEU 15 2.530 3.518 0.602
134 HD23 LEU 15 3HD2 LEU 15 3.532 4.743 1.378
135 H TYR 16 H TYR 16 -1.449 6.245 -1.799
136 HA TYR 16 HA TYR 16 -3.322 4.228 -2.416
137 HB2 TYR 16 2HB TYR 16 -3.991 6.418 -1.632
138 HB3 TYR 16 1HB TYR 16 -3.290 7.186 -3.051
139 HD1 TYR 16 1HD TYR 16 -4.734 7.724 -4.795
140 HD2 TYR 16 2HD TYR 16 -5.710 4.442 -2.202
141 HE1 TYR 16 1HE TYR 16 -6.889 7.418 -5.989
142 HE2 TYR 16 2HE TYR 16 -7.861 4.140 -3.389
143 HH TYR 16 HH TYR 16 -9.197 6.416 -5.379
144 H ASN 17 H ASN 17 -1.392 6.375 -4.491
145 HA ASN 17 HA ASN 17 -2.437 5.536 -6.966
146 HB2 ASN 17 2HB ASN 17 0.225 6.699 -6.155
147 HB3 ASN 17 1HB ASN 17 -0.141 6.303 -7.831
148 HD21 ASN 17 1HD2 ASN 17 0.319 8.993 -7.062
149 HD22 ASN 17 2HD2 ASN 17 -1.136 9.857 -7.182
150 H TRP 18 H TRP 18 0.301 4.339 -5.046
151 HA TRP 18 HA TRP 18 1.252 2.397 -6.829
152 HB2 TRP 18 2HB TRP 18 2.567 3.020 -4.920
153 HB3 TRP 18 1HB TRP 18 1.290 2.525 -3.813
154 HD1 TRP 18 HD TRP 18 1.127 -0.001 -3.179
155 HE1 TRP 18 1HE TRP 18 2.549 -2.079 -3.750
156 HE3 TRP 18 3HE TRP 18 4.059 1.930 -6.881
157 HZ2 TRP 18 2HZ TRP 18 4.662 -2.819 -5.547
158 HZ3 TRP 18 3HZ TRP 18 5.764 0.528 -8.004
159 HH2 TRP 18 HH TRP 18 6.071 -1.841 -7.344
160 H ALA 19 H ALA 19 -1.159 2.118 -4.208
161 HA ALA 19 HA ALA 19 -1.642 -0.644 -4.466
162 HB1 ALA 19 1HB ALA 19 -3.905 -0.004 -3.422
163 HB2 ALA 19 2HB ALA 19 -3.283 1.645 -3.407
164 HB3 ALA 19 3HB ALA 19 -2.450 0.380 -2.503
165 H LYS 20 H LYS 20 -3.183 2.154 -6.000
166 HA LYS 20 HA LYS 20 -5.197 0.713 -7.365
167 HB2 LYS 20 2HB LYS 20 -5.233 3.172 -7.042
168 HB3 LYS 20 1HB LYS 20 -3.894 3.322 -8.183
169 HG2 LYS 20 2HG LYS 20 -5.264 2.273 -9.943
170 HG3 LYS 20 1HG LYS 20 -6.598 2.097 -8.805
171 HD2 LYS 20 2HD LYS 20 -6.696 4.556 -8.537
172 HD3 LYS 20 1HD LYS 20 -5.372 4.730 -9.688
173 HE2 LYS 20 2HE LYS 20 -6.738 3.652 -11.438
174 HE3 LYS 20 1HE LYS 20 -8.061 3.454 -10.290
175 HZ1 LYS 20 1HZ LYS 20 -7.447 6.093 -10.105
176 HZ2 LYS 20 2HZ LYS 20 -8.732 5.438 -11.003
177 HZ3 LYS 20 3HZ LYS 20 -7.250 5.781 -11.761
178 H SER 21 H SER 21 -1.941 1.745 -8.347
179 HA SER 21 HA SER 21 -2.038 0.859 -11.011
180 HB2 SER 21 2HB SER 21 0.338 1.047 -9.148
181 HB3 SER 21 1HB SER 21 0.420 0.923 -10.903
182 HG SER 21 HG SER 21 0.532 3.095 -10.161
183 H HIS 22 H HIS 22 -1.044 -0.842 -8.033
184 HA HIS 22 HA HIS 22 -1.151 -3.376 -9.566
185 HB2 HIS 22 2HB HIS 22 0.768 -2.804 -7.312
186 HB3 HIS 22 1HB HIS 22 0.745 -4.209 -8.375
187 HD1 HIS 22 1HD HIS 22 1.825 -0.654 -8.190
188 HD2 HIS 22 2HD HIS 22 1.688 -3.674 -11.063
189 HE1 HIS 22 1HE HIS 22 3.282 0.118 -10.110
190 HE2 HIS 22 2HE HIS 22 3.212 -1.707 -11.872
191 H VAL 23 H VAL 23 -3.271 -3.693 -8.842
192 HA VAL 23 HA VAL 23 -4.046 -3.678 -6.117
193 HB VAL 23 HB VAL 23 -5.982 -5.002 -6.897
194 HG11 VAL 23 1HG1 VAL 23 -5.069 -2.633 -8.527
195 HG12 VAL 23 2HG1 VAL 23 -6.231 -2.662 -7.200
196 HG13 VAL 23 3HG1 VAL 23 -6.658 -3.359 -8.763
197 HG21 VAL 23 1HG2 VAL 23 -4.477 -5.029 -9.529
198 HG22 VAL 23 2HG2 VAL 23 -6.119 -5.624 -9.286
199 HG23 VAL 23 3HG2 VAL 23 -4.761 -6.433 -8.501
200 H GLY 24 H GLY 24 -2.318 -5.881 -8.113
201 HA2 GLY 24 2HA GLY 24 -2.762 -8.295 -6.709
202 HA3 GLY 24 1HA GLY 24 -1.358 -7.933 -7.713
203 H LYS 25 H LYS 25 -0.406 -5.660 -6.279
204 HA LYS 25 HA LYS 25 1.174 -6.893 -4.296
205 HB2 LYS 25 2HB LYS 25 0.568 -3.959 -4.746
206 HB3 LYS 25 1HB LYS 25 1.846 -4.564 -3.696
207 HG2 LYS 25 2HG LYS 25 1.714 -5.355 -6.611
208 HG3 LYS 25 1HG LYS 25 2.497 -3.859 -6.107
209 HD2 LYS 25 2HD LYS 25 3.992 -5.149 -4.604
210 HD3 LYS 25 1HD LYS 25 3.241 -6.646 -5.134
211 HE2 LYS 25 2HE LYS 25 3.967 -6.236 -7.438
212 HE3 LYS 25 1HE LYS 25 4.702 -4.709 -6.945
213 HZ1 LYS 25 1HZ LYS 25 5.496 -7.458 -6.175
214 HZ2 LYS 25 2HZ LYS 25 6.011 -6.097 -5.297
215 HZ3 LYS 25 3HZ LYS 25 6.436 -6.267 -6.934
216 H VAL 26 H VAL 26 -1.744 -4.958 -4.116
217 HA VAL 26 HA VAL 26 -1.900 -4.692 -1.327
218 HB VAL 26 HB VAL 26 -4.041 -4.755 -3.439
219 HG11 VAL 26 1HG1 VAL 26 -4.121 -4.302 -0.461
220 HG12 VAL 26 2HG1 VAL 26 -5.191 -5.293 -1.453
221 HG13 VAL 26 3HG1 VAL 26 -5.305 -3.531 -1.517
222 HG21 VAL 26 1HG2 VAL 26 -2.661 -2.531 -1.900
223 HG22 VAL 26 2HG2 VAL 26 -4.006 -2.297 -3.015
224 HG23 VAL 26 3HG2 VAL 26 -2.457 -2.889 -3.615
225 H TRP 27 H TRP 27 -3.243 -7.063 -3.539
226 HA TRP 27 HA TRP 27 -4.592 -8.639 -1.613
227 HB2 TRP 27 2HB TRP 27 -3.492 -9.252 -4.351
228 HB3 TRP 27 1HB TRP 27 -4.321 -10.472 -3.383
229 HD1 TRP 27 HD TRP 27 -5.030 -8.007 -5.933
230 HE1 TRP 27 1HE TRP 27 -7.522 -7.341 -5.956
231 HE3 TRP 27 3HE TRP 27 -6.487 -9.927 -1.440
232 HZ2 TRP 27 2HZ TRP 27 -9.838 -7.597 -4.279
233 HZ3 TRP 27 3HZ TRP 27 -8.833 -9.713 -0.675
234 HH2 TRP 27 HH TRP 27 -10.507 -8.552 -2.088
235 H GLU 28 H GLU 28 -1.315 -8.868 -2.966
236 HA GLU 28 HA GLU 28 -0.545 -11.252 -1.742
237 HB2 GLU 28 2HB GLU 28 0.756 -10.118 -3.521
238 HB3 GLU 28 1HB GLU 28 1.221 -8.872 -2.364
239 HG2 GLU 28 2HG GLU 28 2.322 -10.545 -0.954
240 HG3 GLU 28 1HG GLU 28 1.800 -11.831 -2.042
241 H TRP 29 H TRP 29 -0.224 -7.874 -0.514
242 HA TRP 29 HA TRP 29 1.103 -8.731 1.865
243 HB2 TRP 29 2HB TRP 29 -0.622 -6.288 1.787
244 HB3 TRP 29 1HB TRP 29 0.846 -6.578 2.698
245 HD1 TRP 29 HD TRP 29 -0.177 -4.486 0.093
246 HE1 TRP 29 1HE TRP 29 1.684 -3.914 -1.588
247 HE3 TRP 29 3HE TRP 29 3.202 -8.121 1.267
248 HZ2 TRP 29 2HZ TRP 29 4.282 -4.861 -2.315
249 HZ3 TRP 29 3HZ TRP 29 5.354 -8.244 0.087
250 HH2 TRP 29 HH TRP 29 5.908 -6.630 -1.706
251 H LEU 30 H LEU 30 -2.314 -8.245 1.058
252 HA LEU 30 HA LEU 30 -3.285 -8.535 3.704
253 HB2 LEU 30 2HB LEU 30 -4.622 -9.075 1.050
254 HB3 LEU 30 1HB LEU 30 -5.460 -9.153 2.601
255 HG LEU 30 HG LEU 30 -3.932 -6.727 1.618
256 HD11 LEU 30 1HD1 LEU 30 -5.793 -6.901 0.165
257 HD12 LEU 30 2HD1 LEU 30 -6.327 -5.797 1.432
258 HD13 LEU 30 3HD1 LEU 30 -6.849 -7.480 1.454
259 HD21 LEU 30 1HD2 LEU 30 -5.634 -5.783 3.489
260 HD22 LEU 30 2HD2 LEU 30 -4.035 -6.389 3.905
261 HD23 LEU 30 3HD2 LEU 30 -5.448 -7.426 4.106
262 H LYS 31 H LYS 31 -2.668 -10.936 1.173
263 HA LYS 31 HA LYS 31 -3.677 -13.178 2.562
264 HB2 LYS 31 2HB LYS 31 -3.103 -13.133 0.126
265 HB3 LYS 31 1HB LYS 31 -1.396 -13.085 0.564
266 HG2 LYS 31 2HG LYS 31 -1.640 -15.239 1.751
267 HG3 LYS 31 1HG LYS 31 -3.346 -15.287 1.308
268 HD2 LYS 31 2HD LYS 31 -2.748 -15.309 -1.077
269 HD3 LYS 31 1HD LYS 31 -1.036 -15.229 -0.659
270 HE2 LYS 31 2HE LYS 31 -1.711 -17.551 -1.142
271 HE3 LYS 31 1HE LYS 31 -1.229 -17.378 0.546
272 HZ1 LYS 31 1HZ LYS 31 -3.369 -17.554 1.276
273 HZ2 LYS 31 2HZ LYS 31 -3.441 -18.570 -0.083
274 HZ3 LYS 31 3HZ LYS 31 -4.044 -16.986 -0.170
275 H SER 32 H SER 32 -0.462 -11.681 2.419
276 HA SER 32 HA SER 32 0.923 -13.560 3.988
277 HB2 SER 32 2HB SER 32 2.066 -11.865 2.636
278 HB3 SER 32 1HB SER 32 1.440 -10.599 3.689
279 HG SER 32 HG SER 32 3.637 -11.492 4.122
280 H GLY 33 H GLY 33 -0.838 -10.622 4.885
281 HA2 GLY 33 2HA GLY 33 -2.067 -10.482 6.944
282 HA3 GLY 33 1HA GLY 33 -0.918 -11.599 7.671
283 H ALA 34 H ALA 34 0.861 -9.510 5.848
284 HA ALA 34 HA ALA 34 2.262 -8.323 7.880
285 HB1 ALA 34 1HB ALA 34 2.775 -6.496 6.170
286 HB2 ALA 34 2HB ALA 34 1.670 -7.341 5.085
287 HB3 ALA 34 3HB ALA 34 3.122 -8.151 5.671
288 H THR 35 H THR 35 2.356 -5.795 8.135
289 HA THR 35 HA THR 35 -0.308 -4.974 9.110
290 HB THR 35 HB THR 35 0.895 -3.401 10.517
291 HG1 THR 35 1HG THR 35 3.253 -4.401 9.310
292 HG21 THR 35 1HG2 THR 35 0.703 -5.691 11.352
293 HG22 THR 35 2HG2 THR 35 2.252 -5.000 11.845
294 HG23 THR 35 3HG2 THR 35 2.183 -6.144 10.504
295 H TYR 36 H TYR 36 -1.139 -2.890 8.641
296 HA TYR 36 HA TYR 36 -0.830 -2.033 5.988
297 HB2 TYR 36 2HB TYR 36 -1.867 -0.368 8.293
298 HB3 TYR 36 1HB TYR 36 -2.195 -0.132 6.576
299 HD1 TYR 36 1HD TYR 36 -2.997 -2.473 5.376
300 HD2 TYR 36 2HD TYR 36 -3.548 -1.390 9.487
301 HE1 TYR 36 1HE TYR 36 -4.910 -4.051 5.533
302 HE2 TYR 36 2HE TYR 36 -5.444 -2.967 9.653
303 HH TYR 36 HH TYR 36 -7.134 -3.974 7.979
304 H GLU 37 H GLU 37 0.619 -0.821 8.972
305 HA GLU 37 HA GLU 37 1.895 1.424 7.853
306 HB2 GLU 37 2HB GLU 37 3.498 0.991 9.897
307 HB3 GLU 37 1HB GLU 37 1.842 1.529 10.164
308 HG2 GLU 37 2HG GLU 37 1.115 -0.726 10.648
309 HG3 GLU 37 1HG GLU 37 2.680 -1.389 10.169
310 H GLN 38 H GLN 38 3.167 -1.839 8.504
311 HA GLN 38 HA GLN 38 5.744 -1.368 7.509
312 HB2 GLN 38 2HB GLN 38 5.268 -3.330 8.798
313 HB3 GLN 38 1HB GLN 38 4.088 -3.884 7.616
314 HG2 GLN 38 2HG GLN 38 5.799 -4.236 5.972
315 HG3 GLN 38 1HG GLN 38 7.024 -3.481 6.992
316 HE21 GLN 38 1HE2 GLN 38 5.373 -6.481 6.324
317 HE22 GLN 38 2HE2 GLN 38 6.102 -7.387 7.560
318 H ILE 39 H ILE 39 2.783 -2.418 5.851
319 HA ILE 39 HA ILE 39 3.994 -2.963 3.362
320 HB ILE 39 HB ILE 39 1.152 -2.162 4.021
321 HG12 ILE 39 2HG1 ILE 39 2.239 -4.884 3.304
322 HG13 ILE 39 1HG1 ILE 39 2.280 -4.313 4.970
323 HG21 ILE 39 1HG2 ILE 39 0.669 -3.229 1.805
324 HG22 ILE 39 2HG2 ILE 39 2.403 -3.353 1.513
325 HG23 ILE 39 3HG2 ILE 39 1.638 -1.765 1.635
326 HD11 ILE 39 1HD1 ILE 39 0.217 -5.566 4.636
327 HD12 ILE 39 2HD1 ILE 39 -0.180 -4.586 3.227
328 HD13 ILE 39 3HD1 ILE 39 -0.170 -3.863 4.823
329 H LYS 40 H LYS 40 2.492 0.107 4.602
330 HA LYS 40 HA LYS 40 2.998 1.374 2.082
331 HB2 LYS 40 2HB LYS 40 2.793 3.587 3.194
332 HB3 LYS 40 1HB LYS 40 1.368 2.531 3.371
333 HG2 LYS 40 2HG LYS 40 1.918 1.992 5.625
334 HG3 LYS 40 1HG LYS 40 3.534 2.704 5.483
335 HD2 LYS 40 2HD LYS 40 2.472 4.924 5.070
336 HD3 LYS 40 1HD LYS 40 0.892 4.184 5.320
337 HE2 LYS 40 2HE LYS 40 1.428 3.633 7.607
338 HE3 LYS 40 1HE LYS 40 3.105 4.132 7.386
339 HZ1 LYS 40 1HZ LYS 40 1.893 5.864 8.478
340 HZ2 LYS 40 2HZ LYS 40 0.697 5.862 7.275
341 HZ3 LYS 40 3HZ LYS 40 2.271 6.388 6.911
342 H GLU 41 H GLU 41 4.868 0.939 5.024
343 HA GLU 41 HA GLU 41 6.886 2.772 4.568
344 HB2 GLU 41 2HB GLU 41 6.700 1.432 6.634
345 HB3 GLU 41 1HB GLU 41 7.177 -0.004 5.727
346 HG2 GLU 41 2HG GLU 41 9.310 1.053 5.141
347 HG3 GLU 41 1HG GLU 41 8.837 2.516 5.999
348 H TRP 42 H TRP 42 6.624 -0.619 3.468
349 HA TRP 42 HA TRP 42 9.034 -0.681 1.983
350 HB2 TRP 42 2HB TRP 42 6.416 -2.110 1.448
351 HB3 TRP 42 1HB TRP 42 7.942 -2.498 0.673
352 HD1 TRP 42 HD TRP 42 9.681 -2.221 3.503
353 HE1 TRP 42 1HE TRP 42 9.525 -4.210 5.129
354 HE3 TRP 42 3HE TRP 42 5.342 -4.345 1.880
355 HZ2 TRP 42 2HZ TRP 42 7.792 -6.418 5.674
356 HZ3 TRP 42 3HZ TRP 42 4.448 -6.382 2.968
357 HH2 TRP 42 HH TRP 42 5.668 -7.423 4.861
358 H ILE 43 H ILE 43 5.729 0.178 1.078
359 HA ILE 43 HA ILE 43 6.246 0.596 -1.677
360 HB ILE 43 HB ILE 43 4.123 1.747 0.134
361 HG12 ILE 43 2HG1 ILE 43 3.934 -0.427 -1.969
362 HG13 ILE 43 1HG1 ILE 43 4.215 -0.761 -0.259
363 HG21 ILE 43 1HG2 ILE 43 2.922 2.107 -2.100
364 HG22 ILE 43 2HG2 ILE 43 4.505 1.924 -2.858
365 HG23 ILE 43 3HG2 ILE 43 4.222 3.238 -1.719
366 HD11 ILE 43 1HD1 ILE 43 2.114 0.111 0.379
367 HD12 ILE 43 2HD1 ILE 43 1.763 -0.797 -1.089
368 HD13 ILE 43 3HD1 ILE 43 1.903 0.958 -1.151
369 H GLU 44 H GLU 44 6.241 2.961 1.009
370 HA GLU 44 HA GLU 44 6.752 5.090 -0.750
371 HB2 GLU 44 2HB GLU 44 7.096 6.490 1.176
372 HB3 GLU 44 1HB GLU 44 5.684 5.461 1.438
373 HG2 GLU 44 2HG GLU 44 6.585 4.624 3.325
374 HG3 GLU 44 1HG GLU 44 8.029 4.113 2.465
375 H ASN 45 H ASN 45 8.915 2.886 1.025
376 HA ASN 45 HA ASN 45 11.310 4.316 0.527
377 HB2 ASN 45 2HB ASN 45 11.228 2.465 2.123
378 HB3 ASN 45 1HB ASN 45 10.855 1.340 0.822
379 HD21 ASN 45 1HD2 ASN 45 13.392 3.639 1.905
380 HD22 ASN 45 2HD2 ASN 45 14.675 2.814 1.160
381 H ALA 46 H ALA 46 9.553 1.856 -1.337
382 HA ALA 46 HA ALA 46 11.440 1.604 -3.409
383 HB1 ALA 46 1HB ALA 46 8.448 1.236 -3.614
384 HB2 ALA 46 2HB ALA 46 9.548 0.018 -2.965
385 HB3 ALA 46 3HB ALA 46 9.680 0.517 -4.651
386 H LEU 47 H LEU 47 8.595 3.664 -2.999
387 HA LEU 47 HA LEU 47 8.589 4.900 -5.489
388 HB2 LEU 47 2HB LEU 47 6.956 5.008 -3.415
389 HB3 LEU 47 1HB LEU 47 7.922 6.405 -2.973
390 HG LEU 47 HG LEU 47 6.112 7.294 -4.200
391 HD11 LEU 47 1HD1 LEU 47 8.413 8.048 -4.933
392 HD12 LEU 47 2HD1 LEU 47 7.122 8.318 -6.100
393 HD13 LEU 47 3HD1 LEU 47 8.241 6.979 -6.324
394 HD21 LEU 47 1HD2 LEU 47 5.468 4.990 -5.140
395 HD22 LEU 47 2HD2 LEU 47 6.579 5.343 -6.467
396 HD23 LEU 47 3HD2 LEU 47 5.183 6.379 -6.189
397 H GLY 48 H GLY 48 10.270 5.819 -2.467
398 HA2 GLY 48 2HA GLY 48 11.438 8.204 -3.351
399 HA3 GLY 48 1HA GLY 48 12.062 7.187 -2.056
400 H TRP 49 H TRP 49 12.676 4.849 -3.505
401 HA TRP 49 HA TRP 49 14.217 5.479 -5.833
402 HB2 TRP 49 2HB TRP 49 16.450 5.239 -4.905
403 HB3 TRP 49 1HB TRP 49 15.614 6.598 -4.153
404 HD1 TRP 49 HD TRP 49 14.689 6.239 -1.650
405 HE1 TRP 49 1HE TRP 49 15.460 4.646 0.225
406 HE3 TRP 49 3HE TRP 49 17.442 2.926 -4.388
407 HZ2 TRP 49 2HZ TRP 49 17.038 2.276 0.522
408 HZ3 TRP 49 3HZ TRP 49 18.567 1.012 -3.288
409 HH2 TRP 49 HH TRP 49 18.369 0.685 -0.837
410 H ARG 50 H ARG 50 14.629 3.271 -3.035
411 HA ARG 50 HA ARG 50 15.616 1.080 -4.237
412 HB2 ARG 50 2HB ARG 50 15.012 1.176 -1.844
413 HB3 ARG 50 1HB ARG 50 13.314 0.993 -2.270
414 HG2 ARG 50 2HG ARG 50 13.805 -1.184 -3.328
415 HG3 ARG 50 1HG ARG 50 15.510 -1.000 -2.909
416 HD2 ARG 50 2HD ARG 50 14.860 -0.876 -0.505
417 HD3 ARG 50 1HD ARG 50 13.187 -1.171 -0.967
418 HE ARG 50 HE ARG 50 13.738 -3.408 -1.390
419 HH11 ARG 50 1HH1 ARG 50 15.131 -5.181 -1.102
420 HH12 ARG 50 2HH1 ARG 50 16.812 -4.911 -0.781
421 HH21 ARG 50 1HH2 ARG 50 16.539 -1.450 -0.886
422 HH22 ARG 50 2HH2 ARG 50 17.611 -2.791 -0.663
Start of MODEL 12
1 H FME 1 H FME 1 -12.187 -3.763 1.912
2 HCN FME 1 HF FME 1 -11.842 -5.947 2.667
3 HA FME 1 HA FME 1 -9.510 -3.836 0.841
4 HB2 FME 1 1HB FME 1 -11.797 -3.690 -1.136
5 HB3 FME 1 2HB FME 1 -10.859 -5.154 -0.837
6 HG2 FME 1 1HG FME 1 -9.387 -2.609 -1.444
7 HG3 FME 1 2HG FME 1 -10.165 -3.472 -2.771
8 HE1 FME 1 1HE FME 1 -7.631 -3.513 -3.719
9 HE2 FME 1 2HE FME 1 -8.792 -4.757 -4.172
10 HE3 FME 1 3HE FME 1 -7.129 -5.207 -3.802
11 H ALA 2 H ALA 2 -12.676 -2.287 0.934
12 HA ALA 2 HA ALA 2 -11.892 0.265 0.030
13 HB1 ALA 2 1HB ALA 2 -13.963 1.046 1.180
14 HB2 ALA 2 2HB ALA 2 -14.127 -0.555 1.902
15 HB3 ALA 2 3HB ALA 2 -14.238 -0.366 0.155
16 H GLY 3 H GLY 3 -11.992 -1.159 3.284
17 HA2 GLY 3 2HA GLY 3 -11.329 1.173 4.734
18 HA3 GLY 3 1HA GLY 3 -11.070 -0.476 5.284
19 H LEU 4 H LEU 4 -9.358 -1.364 3.258
20 HA LEU 4 HA LEU 4 -6.834 -0.534 4.193
21 HB2 LEU 4 2HB LEU 4 -7.297 -2.726 3.120
22 HB3 LEU 4 1HB LEU 4 -7.539 -1.897 1.581
23 HG LEU 4 HG LEU 4 -5.083 -0.905 2.243
24 HD11 LEU 4 1HD1 LEU 4 -3.723 -2.494 3.343
25 HD12 LEU 4 2HD1 LEU 4 -4.967 -3.739 3.265
26 HD13 LEU 4 3HD1 LEU 4 -5.172 -2.354 4.338
27 HD21 LEU 4 1HD2 LEU 4 -5.672 -3.558 0.890
28 HD22 LEU 4 2HD2 LEU 4 -4.133 -2.698 0.785
29 HD23 LEU 4 3HD2 LEU 4 -5.590 -1.978 0.118
30 H LEU 5 H LEU 5 -8.663 0.298 1.250
31 HA LEU 5 HA LEU 5 -6.681 1.911 0.061
32 HB2 LEU 5 2HB LEU 5 -9.700 1.950 -0.150
33 HB3 LEU 5 1HB LEU 5 -8.638 2.921 -1.170
34 HG LEU 5 HG LEU 5 -8.470 -0.097 -0.928
35 HD11 LEU 5 1HD1 LEU 5 -9.393 0.043 -3.324
36 HD12 LEU 5 2HD1 LEU 5 -9.865 1.694 -2.921
37 HD13 LEU 5 3HD1 LEU 5 -10.539 0.341 -2.015
38 HD21 LEU 5 1HD2 LEU 5 -6.922 2.005 -2.390
39 HD22 LEU 5 2HD2 LEU 5 -7.243 0.507 -3.259
40 HD23 LEU 5 3HD2 LEU 5 -6.376 0.469 -1.723
41 H ARG 6 H ARG 6 -9.351 2.715 2.275
42 HA ARG 6 HA ARG 6 -9.005 5.500 2.304
43 HB2 ARG 6 2HB ARG 6 -10.937 4.262 3.304
44 HB3 ARG 6 1HB ARG 6 -9.873 3.735 4.606
45 HG2 ARG 6 2HG ARG 6 -9.407 6.407 4.716
46 HG3 ARG 6 1HG ARG 6 -11.038 6.431 4.068
47 HD2 ARG 6 2HD ARG 6 -11.753 4.936 5.941
48 HD3 ARG 6 1HD ARG 6 -10.133 5.070 6.611
49 HE ARG 6 HE ARG 6 -11.353 7.635 6.130
50 HH11 ARG 6 1HH1 ARG 6 -11.904 8.831 7.978
51 HH12 ARG 6 2HH1 ARG 6 -11.976 8.048 9.523
52 HH21 ARG 6 1HH2 ARG 6 -11.095 4.929 8.265
53 HH22 ARG 6 2HH2 ARG 6 -11.513 5.829 9.687
54 H PHE 7 H PHE 7 -7.595 2.951 4.321
55 HA PHE 7 HA PHE 7 -6.162 4.594 6.079
56 HB2 PHE 7 2HB PHE 7 -6.587 2.113 6.291
57 HB3 PHE 7 1HB PHE 7 -5.324 1.858 5.094
58 HD1 PHE 7 1HD PHE 7 -3.025 1.887 5.707
59 HD2 PHE 7 2HD PHE 7 -5.999 3.366 8.431
60 HE1 PHE 7 1HE PHE 7 -1.308 2.024 7.507
61 HE2 PHE 7 2HE PHE 7 -4.291 3.507 10.223
62 HZ PHE 7 HZ PHE 7 -1.954 2.831 9.762
63 H LEU 8 H LEU 8 -5.197 3.076 3.020
64 HA LEU 8 HA LEU 8 -2.517 3.946 3.033
65 HB2 LEU 8 2HB LEU 8 -4.440 3.121 0.870
66 HB3 LEU 8 1HB LEU 8 -2.823 3.691 0.465
67 HG LEU 8 HG LEU 8 -3.098 1.596 2.600
68 HD11 LEU 8 1HD1 LEU 8 -3.132 -0.197 0.975
69 HD12 LEU 8 2HD1 LEU 8 -3.055 0.947 -0.360
70 HD13 LEU 8 3HD1 LEU 8 -4.509 0.851 0.637
71 HD21 LEU 8 1HD2 LEU 8 -0.911 2.642 2.039
72 HD22 LEU 8 2HD2 LEU 8 -1.094 2.079 0.377
73 HD23 LEU 8 3HD2 LEU 8 -0.920 0.911 1.691
74 H LEU 9 H LEU 9 -5.458 5.435 1.718
75 HA LEU 9 HA LEU 9 -4.230 7.649 0.492
76 HB2 LEU 9 2HB LEU 9 -6.546 6.886 0.106
77 HB3 LEU 9 1HB LEU 9 -6.990 7.445 1.706
78 HG LEU 9 HG LEU 9 -6.292 9.744 1.083
79 HD11 LEU 9 1HD1 LEU 9 -5.552 8.308 -1.449
80 HD12 LEU 9 2HD1 LEU 9 -4.687 9.593 -0.604
81 HD13 LEU 9 3HD1 LEU 9 -6.118 9.976 -1.560
82 HD21 LEU 9 1HD2 LEU 9 -8.196 10.199 -0.389
83 HD22 LEU 9 2HD2 LEU 9 -8.645 8.952 0.777
84 HD23 LEU 9 3HD2 LEU 9 -8.246 8.507 -0.881
85 H SER 10 H SER 10 -5.642 7.247 3.739
86 HA SER 10 HA SER 10 -5.326 9.900 4.599
87 HB2 SER 10 2HB SER 10 -5.227 7.363 6.244
88 HB3 SER 10 1HB SER 10 -5.508 8.982 6.868
89 HG SER 10 HG SER 10 -7.394 7.542 6.325
90 H LYS 11 H LYS 11 -3.129 7.122 4.690
91 HA LYS 11 HA LYS 11 -1.119 8.501 6.186
92 HB2 LYS 11 2HB LYS 11 -0.961 6.025 4.465
93 HB3 LYS 11 1HB LYS 11 0.357 6.613 5.475
94 HG2 LYS 11 2HG LYS 11 -2.398 5.976 6.566
95 HG3 LYS 11 1HG LYS 11 -1.096 4.797 6.512
96 HD2 LYS 11 2HD LYS 11 0.303 6.548 7.801
97 HD3 LYS 11 1HD LYS 11 -1.231 7.353 8.119
98 HE2 LYS 11 2HE LYS 11 -2.135 5.385 9.181
99 HE3 LYS 11 1HE LYS 11 -0.706 4.447 8.739
100 HZ1 LYS 11 1HZ LYS 11 0.019 5.046 10.748
101 HZ2 LYS 11 2HZ LYS 11 -1.083 6.331 10.889
102 HZ3 LYS 11 3HZ LYS 11 0.370 6.541 10.030
103 H GLY 12 H GLY 12 -1.551 7.908 2.703
104 HA2 GLY 12 2HA GLY 12 -0.161 10.313 2.038
105 HA3 GLY 12 1HA GLY 12 0.840 8.897 1.723
106 H ARG 13 H ARG 13 -0.302 10.832 -0.175
107 HA ARG 13 HA ARG 13 -2.445 9.549 -1.601
108 HB2 ARG 13 2HB ARG 13 -0.552 11.806 -2.292
109 HB3 ARG 13 1HB ARG 13 -1.802 11.225 -3.394
110 HG2 ARG 13 2HG ARG 13 -3.533 11.681 -1.726
111 HG3 ARG 13 1HG ARG 13 -2.310 12.219 -0.575
112 HD2 ARG 13 2HD ARG 13 -1.665 14.038 -2.106
113 HD3 ARG 13 1HD ARG 13 -2.876 13.494 -3.264
114 HE ARG 13 HE ARG 13 -3.979 14.056 -0.658
115 HH11 ARG 13 1HH1 ARG 13 -5.357 15.851 -0.532
116 HH12 ARG 13 2HH1 ARG 13 -5.378 17.014 -1.814
117 HH21 ARG 13 1HH2 ARG 13 -2.973 15.380 -3.698
118 HH22 ARG 13 2HH2 ARG 13 -4.034 16.745 -3.606
119 H ALA 14 H ALA 14 1.016 9.631 -1.661
120 HA ALA 14 HA ALA 14 1.496 8.419 -4.139
121 HB1 ALA 14 1HB ALA 14 3.030 8.709 -1.583
122 HB2 ALA 14 2HB ALA 14 3.400 9.353 -3.184
123 HB3 ALA 14 3HB ALA 14 3.657 7.642 -2.844
124 H LEU 15 H LEU 15 1.000 7.057 -0.911
125 HA LEU 15 HA LEU 15 1.531 4.351 -1.487
126 HB2 LEU 15 2HB LEU 15 -0.557 5.393 0.440
127 HB3 LEU 15 1HB LEU 15 0.329 3.867 0.539
128 HG LEU 15 HG LEU 15 1.657 6.592 0.644
129 HD11 LEU 15 1HD1 LEU 15 0.613 4.785 2.823
130 HD12 LEU 15 2HD1 LEU 15 0.401 6.529 2.637
131 HD13 LEU 15 3HD1 LEU 15 1.968 5.876 3.113
132 HD21 LEU 15 1HD2 LEU 15 3.434 5.089 1.738
133 HD22 LEU 15 2HD2 LEU 15 3.266 5.002 -0.012
134 HD23 LEU 15 3HD2 LEU 15 2.566 3.742 1.011
135 H TYR 16 H TYR 16 -1.475 6.218 -1.613
136 HA TYR 16 HA TYR 16 -3.226 4.128 -2.303
137 HB2 TYR 16 2HB TYR 16 -4.025 6.294 -1.525
138 HB3 TYR 16 1HB TYR 16 -3.343 7.085 -2.943
139 HD1 TYR 16 1HD TYR 16 -4.507 7.098 -5.036
140 HD2 TYR 16 2HD TYR 16 -5.899 4.646 -1.799
141 HE1 TYR 16 1HE TYR 16 -6.612 6.651 -6.280
142 HE2 TYR 16 2HE TYR 16 -7.997 4.201 -3.034
143 HH TYR 16 HH TYR 16 -9.290 5.715 -5.067
144 H ASN 17 H ASN 17 -1.384 6.397 -4.300
145 HA ASN 17 HA ASN 17 -2.344 5.517 -6.809
146 HB2 ASN 17 2HB ASN 17 -1.120 7.630 -6.531
147 HB3 ASN 17 1HB ASN 17 0.346 6.736 -6.122
148 HD21 ASN 17 1HD2 ASN 17 1.595 7.334 -7.977
149 HD22 ASN 17 2HD2 ASN 17 1.165 6.884 -9.558
150 H TRP 18 H TRP 18 0.474 4.516 -4.884
151 HA TRP 18 HA TRP 18 1.567 2.709 -6.725
152 HB2 TRP 18 2HB TRP 18 2.901 3.288 -4.853
153 HB3 TRP 18 1HB TRP 18 1.631 2.846 -3.722
154 HD1 TRP 18 HD TRP 18 1.328 0.317 -3.115
155 HE1 TRP 18 1HE TRP 18 2.759 -1.780 -3.535
156 HE3 TRP 18 3HE TRP 18 4.621 2.168 -6.554
157 HZ2 TRP 18 2HZ TRP 18 4.999 -2.580 -5.111
158 HZ3 TRP 18 3HZ TRP 18 6.405 0.721 -7.490
159 HH2 TRP 18 HH TRP 18 6.598 -1.647 -6.768
160 H ALA 19 H ALA 19 -0.866 2.196 -4.174
161 HA ALA 19 HA ALA 19 -1.145 -0.581 -4.488
162 HB1 ALA 19 1HB ALA 19 -3.499 -0.107 -3.535
163 HB2 ALA 19 2HB ALA 19 -2.980 1.576 -3.460
164 HB3 ALA 19 3HB ALA 19 -2.110 0.344 -2.544
165 H LYS 20 H LYS 20 -2.841 2.130 -6.027
166 HA LYS 20 HA LYS 20 -4.687 0.568 -7.500
167 HB2 LYS 20 2HB LYS 20 -4.896 3.020 -7.160
168 HB3 LYS 20 1HB LYS 20 -3.526 3.258 -8.247
169 HG2 LYS 20 2HG LYS 20 -4.757 2.181 -10.078
170 HG3 LYS 20 1HG LYS 20 -6.117 1.862 -9.001
171 HD2 LYS 20 2HD LYS 20 -6.409 4.288 -8.656
172 HD3 LYS 20 1HD LYS 20 -5.062 4.602 -9.752
173 HE2 LYS 20 2HE LYS 20 -6.273 3.497 -11.583
174 HE3 LYS 20 1HE LYS 20 -7.612 3.138 -10.495
175 HZ1 LYS 20 1HZ LYS 20 -7.626 5.261 -11.996
176 HZ2 LYS 20 2HZ LYS 20 -6.713 5.912 -10.719
177 HZ3 LYS 20 3HZ LYS 20 -8.269 5.296 -10.427
178 H SER 21 H SER 21 -1.477 1.815 -8.307
179 HA SER 21 HA SER 21 -1.398 0.969 -10.988
180 HB2 SER 21 2HB SER 21 0.135 2.627 -10.046
181 HB3 SER 21 1HB SER 21 0.868 1.384 -9.037
182 HG SER 21 HG SER 21 2.019 1.753 -10.993
183 H HIS 22 H HIS 22 -0.306 -0.680 -8.013
184 HA HIS 22 HA HIS 22 -0.122 -3.187 -9.590
185 HB2 HIS 22 2HB HIS 22 1.812 -2.133 -7.518
186 HB3 HIS 22 1HB HIS 22 1.768 -3.826 -8.019
187 HD1 HIS 22 1HD HIS 22 2.350 -0.360 -9.418
188 HD2 HIS 22 2HD HIS 22 2.970 -4.336 -10.502
189 HE1 HIS 22 1HE HIS 22 3.728 -0.314 -11.539
190 HE2 HIS 22 2HE HIS 22 4.127 -2.734 -12.207
191 H VAL 23 H VAL 23 -2.226 -3.710 -8.874
192 HA VAL 23 HA VAL 23 -2.931 -3.832 -6.122
193 HB VAL 23 HB VAL 23 -4.222 -5.515 -8.251
194 HG11 VAL 23 1HG1 VAL 23 -5.472 -3.847 -6.074
195 HG12 VAL 23 2HG1 VAL 23 -4.855 -5.470 -5.758
196 HG13 VAL 23 3HG1 VAL 23 -6.157 -5.234 -6.925
197 HG21 VAL 23 1HG2 VAL 23 -3.996 -3.410 -9.380
198 HG22 VAL 23 2HG2 VAL 23 -4.347 -2.502 -7.910
199 HG23 VAL 23 3HG2 VAL 23 -5.628 -3.418 -8.708
200 H GLY 24 H GLY 24 -1.214 -5.991 -8.245
201 HA2 GLY 24 2HA GLY 24 -1.682 -8.431 -6.950
202 HA3 GLY 24 1HA GLY 24 -0.222 -8.038 -7.856
203 H LYS 25 H LYS 25 0.880 -6.022 -6.356
204 HA LYS 25 HA LYS 25 2.151 -7.449 -4.270
205 HB2 LYS 25 2HB LYS 25 2.069 -4.506 -4.952
206 HB3 LYS 25 1HB LYS 25 3.129 -5.211 -3.761
207 HG2 LYS 25 2HG LYS 25 3.079 -6.147 -6.613
208 HG3 LYS 25 1HG LYS 25 4.173 -4.899 -6.027
209 HD2 LYS 25 2HD LYS 25 4.818 -6.671 -4.203
210 HD3 LYS 25 1HD LYS 25 4.116 -7.827 -5.326
211 HE2 LYS 25 2HE LYS 25 6.327 -7.803 -6.036
212 HE3 LYS 25 1HE LYS 25 5.598 -6.602 -7.110
213 HZ1 LYS 25 1HZ LYS 25 6.669 -5.739 -4.514
214 HZ2 LYS 25 2HZ LYS 25 6.539 -4.874 -5.973
215 HZ3 LYS 25 3HZ LYS 25 7.750 -6.045 -5.783
216 H VAL 26 H VAL 26 -0.550 -5.195 -4.280
217 HA VAL 26 HA VAL 26 -0.795 -4.841 -1.461
218 HB VAL 26 HB VAL 26 -2.825 -4.628 -3.711
219 HG11 VAL 26 1HG1 VAL 26 -3.010 -4.112 -0.744
220 HG12 VAL 26 2HG1 VAL 26 -4.133 -5.006 -1.768
221 HG13 VAL 26 3HG1 VAL 26 -4.038 -3.248 -1.887
222 HG21 VAL 26 1HG2 VAL 26 -2.500 -2.197 -3.266
223 HG22 VAL 26 2HG2 VAL 26 -1.009 -2.982 -3.783
224 HG23 VAL 26 3HG2 VAL 26 -1.263 -2.607 -2.078
225 H TRP 27 H TRP 27 -2.279 -7.074 -3.794
226 HA TRP 27 HA TRP 27 -3.936 -8.428 -2.020
227 HB2 TRP 27 2HB TRP 27 -2.590 -9.274 -4.579
228 HB3 TRP 27 1HB TRP 27 -3.572 -10.398 -3.647
229 HD1 TRP 27 HD TRP 27 -3.898 -8.018 -6.350
230 HE1 TRP 27 1HE TRP 27 -6.341 -7.264 -6.662
231 HE3 TRP 27 3HE TRP 27 -5.891 -9.648 -1.943
232 HZ2 TRP 27 2HZ TRP 27 -8.810 -7.338 -5.233
233 HZ3 TRP 27 3HZ TRP 27 -8.290 -9.293 -1.445
234 HH2 TRP 27 HH TRP 27 -9.754 -8.140 -3.082
235 H GLU 28 H GLU 28 -0.542 -8.967 -2.893
236 HA GLU 28 HA GLU 28 0.032 -11.329 -1.581
237 HB2 GLU 28 2HB GLU 28 1.794 -8.861 -1.713
238 HB3 GLU 28 1HB GLU 28 2.335 -10.438 -1.177
239 HG2 GLU 28 2HG GLU 28 1.171 -9.930 -3.908
240 HG3 GLU 28 1HG GLU 28 2.884 -9.860 -3.568
241 H TRP 29 H TRP 29 0.292 -7.979 -0.208
242 HA TRP 29 HA TRP 29 0.931 -9.133 2.382
243 HB2 TRP 29 2HB TRP 29 0.179 -6.303 1.642
244 HB3 TRP 29 1HB TRP 29 0.766 -6.815 3.236
245 HD1 TRP 29 HD TRP 29 3.130 -8.483 2.960
246 HE1 TRP 29 1HE TRP 29 5.182 -7.978 1.474
247 HE3 TRP 29 3HE TRP 29 1.087 -5.053 -0.147
248 HZ2 TRP 29 2HZ TRP 29 5.845 -6.337 -0.765
249 HZ3 TRP 29 3HZ TRP 29 2.407 -4.052 -1.950
250 HH2 TRP 29 HH TRP 29 4.792 -4.689 -2.277
251 H LEU 30 H LEU 30 -2.054 -8.074 0.906
252 HA LEU 30 HA LEU 30 -3.600 -8.060 3.288
253 HB2 LEU 30 2HB LEU 30 -4.233 -8.312 0.382
254 HB3 LEU 30 1HB LEU 30 -5.481 -8.772 1.526
255 HG LEU 30 HG LEU 30 -5.420 -6.315 0.686
256 HD11 LEU 30 1HD1 LEU 30 -6.360 -5.540 2.760
257 HD12 LEU 30 2HD1 LEU 30 -5.487 -6.764 3.678
258 HD13 LEU 30 3HD1 LEU 30 -6.789 -7.240 2.591
259 HD21 LEU 30 1HD2 LEU 30 -2.863 -6.228 1.395
260 HD22 LEU 30 2HD2 LEU 30 -3.539 -5.816 2.970
261 HD23 LEU 30 3HD2 LEU 30 -3.891 -4.821 1.568
262 H LYS 31 H LYS 31 -2.804 -10.693 1.027
263 HA LYS 31 HA LYS 31 -4.392 -12.666 2.301
264 HB2 LYS 31 2HB LYS 31 -1.948 -12.890 0.533
265 HB3 LYS 31 1HB LYS 31 -2.864 -14.285 1.102
266 HG2 LYS 31 2HG LYS 31 -4.895 -13.414 0.034
267 HG3 LYS 31 1HG LYS 31 -4.016 -11.986 -0.503
268 HD2 LYS 31 2HD LYS 31 -2.509 -13.400 -1.846
269 HD3 LYS 31 1HD LYS 31 -3.371 -14.839 -1.302
270 HE2 LYS 31 2HE LYS 31 -5.440 -14.017 -2.341
271 HE3 LYS 31 1HE LYS 31 -4.609 -12.549 -2.858
272 HZ1 LYS 31 1HZ LYS 31 -4.276 -13.744 -4.714
273 HZ2 LYS 31 2HZ LYS 31 -4.471 -15.242 -3.939
274 HZ3 LYS 31 3HZ LYS 31 -2.988 -14.417 -3.841
275 H SER 32 H SER 32 -1.012 -11.697 2.662
276 HA SER 32 HA SER 32 -0.337 -13.702 4.584
277 HB2 SER 32 2HB SER 32 1.662 -12.347 5.008
278 HB3 SER 32 1HB SER 32 1.383 -12.525 3.277
279 HG SER 32 HG SER 32 1.577 -10.297 4.692
280 H GLY 33 H GLY 33 -1.713 -10.475 4.793
281 HA2 GLY 33 2HA GLY 33 -2.993 -9.643 6.577
282 HA3 GLY 33 1HA GLY 33 -2.399 -10.953 7.590
283 H ALA 34 H ALA 34 -0.276 -8.895 5.683
284 HA ALA 34 HA ALA 34 1.311 -8.233 7.954
285 HB1 ALA 34 1HB ALA 34 2.783 -7.309 6.457
286 HB2 ALA 34 2HB ALA 34 1.512 -6.562 5.490
287 HB3 ALA 34 3HB ALA 34 1.847 -8.288 5.329
288 H THR 35 H THR 35 1.729 -6.147 8.794
289 HA THR 35 HA THR 35 -0.600 -4.709 9.513
290 HB THR 35 HB THR 35 0.997 -3.113 10.543
291 HG1 THR 35 1HG THR 35 3.266 -3.976 10.339
292 HG21 THR 35 1HG2 THR 35 0.357 -5.269 11.643
293 HG22 THR 35 2HG2 THR 35 1.952 -4.691 12.120
294 HG23 THR 35 3HG2 THR 35 1.802 -6.008 10.955
295 H TYR 36 H TYR 36 -1.436 -2.819 8.800
296 HA TYR 36 HA TYR 36 -1.099 -2.085 6.118
297 HB2 TYR 36 2HB TYR 36 -2.134 -0.326 8.354
298 HB3 TYR 36 1HB TYR 36 -2.488 -0.172 6.633
299 HD1 TYR 36 1HD TYR 36 -3.250 -2.594 5.571
300 HD2 TYR 36 2HD TYR 36 -3.844 -1.272 9.612
301 HE1 TYR 36 1HE TYR 36 -5.142 -4.174 5.810
302 HE2 TYR 36 2HE TYR 36 -5.736 -2.847 9.848
303 HH TYR 36 HH TYR 36 -6.529 -5.170 7.345
304 H GLU 37 H GLU 37 0.320 -0.793 9.079
305 HA GLU 37 HA GLU 37 1.604 1.448 7.974
306 HB2 GLU 37 2HB GLU 37 2.290 -0.251 10.374
307 HB3 GLU 37 1HB GLU 37 3.084 1.281 9.991
308 HG2 GLU 37 2HG GLU 37 0.939 2.438 10.073
309 HG3 GLU 37 1HG GLU 37 0.110 0.917 10.390
310 H GLN 38 H GLN 38 2.819 -1.851 8.576
311 HA GLN 38 HA GLN 38 5.424 -1.407 7.605
312 HB2 GLN 38 2HB GLN 38 4.849 -3.401 8.898
313 HB3 GLN 38 1HB GLN 38 3.796 -3.968 7.603
314 HG2 GLN 38 2HG GLN 38 5.712 -4.130 6.083
315 HG3 GLN 38 1HG GLN 38 6.779 -3.478 7.328
316 HE21 GLN 38 1HE2 GLN 38 7.917 -5.107 8.395
317 HE22 GLN 38 2HE2 GLN 38 7.330 -6.668 8.692
318 H ILE 39 H ILE 39 2.437 -2.358 5.993
319 HA ILE 39 HA ILE 39 3.518 -2.938 3.462
320 HB ILE 39 HB ILE 39 0.766 -2.006 4.305
321 HG12 ILE 39 2HG1 ILE 39 1.761 -4.704 3.338
322 HG13 ILE 39 1HG1 ILE 39 1.636 -4.268 5.038
323 HG21 ILE 39 1HG2 ILE 39 1.881 -2.686 1.582
324 HG22 ILE 39 2HG2 ILE 39 0.816 -1.356 2.058
325 HG23 ILE 39 3HG2 ILE 39 0.185 -2.994 1.968
326 HD11 ILE 39 1HD1 ILE 39 -0.580 -4.639 3.024
327 HD12 ILE 39 2HD1 ILE 39 -0.840 -3.689 4.483
328 HD13 ILE 39 3HD1 ILE 39 -0.391 -5.396 4.605
329 H LYS 40 H LYS 40 2.148 0.202 4.719
330 HA LYS 40 HA LYS 40 2.750 1.467 2.231
331 HB2 LYS 40 2HB LYS 40 2.688 3.654 3.343
332 HB3 LYS 40 1HB LYS 40 1.217 2.690 3.604
333 HG2 LYS 40 2HG LYS 40 1.868 2.136 5.824
334 HG3 LYS 40 1HG LYS 40 3.519 2.700 5.568
335 HD2 LYS 40 2HD LYS 40 2.575 5.014 5.174
336 HD3 LYS 40 1HD LYS 40 1.001 4.385 5.683
337 HE2 LYS 40 2HE LYS 40 3.456 4.066 7.405
338 HE3 LYS 40 1HE LYS 40 2.470 5.531 7.470
339 HZ1 LYS 40 1HZ LYS 40 0.766 3.316 7.572
340 HZ2 LYS 40 2HZ LYS 40 1.064 4.468 8.781
341 HZ3 LYS 40 3HZ LYS 40 2.007 3.058 8.699
342 H GLU 41 H GLU 41 4.626 0.906 5.160
343 HA GLU 41 HA GLU 41 6.721 2.658 4.674
344 HB2 GLU 41 2HB GLU 41 6.489 1.370 6.743
345 HB3 GLU 41 1HB GLU 41 6.898 -0.100 5.871
346 HG2 GLU 41 2HG GLU 41 9.101 0.831 5.293
347 HG3 GLU 41 1HG GLU 41 8.691 2.336 6.107
348 H TRP 42 H TRP 42 6.355 -0.745 3.608
349 HA TRP 42 HA TRP 42 8.798 -0.763 2.139
350 HB2 TRP 42 2HB TRP 42 6.259 -2.358 1.766
351 HB3 TRP 42 1HB TRP 42 7.746 -2.682 0.887
352 HD1 TRP 42 HD TRP 42 9.768 -2.323 3.441
353 HE1 TRP 42 1HE TRP 42 9.795 -4.189 5.213
354 HE3 TRP 42 3HE TRP 42 5.245 -4.476 2.518
355 HZ2 TRP 42 2HZ TRP 42 8.121 -6.305 6.127
356 HZ3 TRP 42 3HZ TRP 42 4.480 -6.414 3.852
357 HH2 TRP 42 HH TRP 42 5.910 -7.334 5.656
358 H ILE 43 H ILE 43 5.492 0.090 1.261
359 HA ILE 43 HA ILE 43 5.955 0.401 -1.512
360 HB ILE 43 HB ILE 43 3.927 1.656 0.317
361 HG12 ILE 43 2HG1 ILE 43 3.661 -0.479 -1.798
362 HG13 ILE 43 1HG1 ILE 43 3.965 -0.850 -0.098
363 HG21 ILE 43 1HG2 ILE 43 4.284 1.809 -2.665
364 HG22 ILE 43 2HG2 ILE 43 4.038 3.135 -1.534
365 HG23 ILE 43 3HG2 ILE 43 2.716 2.030 -1.895
366 HD11 ILE 43 1HD1 ILE 43 1.880 0.006 0.580
367 HD12 ILE 43 2HD1 ILE 43 1.503 -0.831 -0.919
368 HD13 ILE 43 3HD1 ILE 43 1.665 0.926 -0.901
369 H GLU 44 H GLU 44 6.103 2.829 1.099
370 HA GLU 44 HA GLU 44 6.670 4.912 -0.695
371 HB2 GLU 44 2HB GLU 44 7.080 6.328 1.224
372 HB3 GLU 44 1HB GLU 44 5.644 5.347 1.498
373 HG2 GLU 44 2HG GLU 44 6.509 4.502 3.392
374 HG3 GLU 44 1HG GLU 44 7.933 3.936 2.535
375 H ASN 45 H ASN 45 8.758 2.637 1.111
376 HA ASN 45 HA ASN 45 11.195 3.967 0.532
377 HB2 ASN 45 2HB ASN 45 11.089 2.160 2.169
378 HB3 ASN 45 1HB ASN 45 10.624 1.020 0.908
379 HD21 ASN 45 1HD2 ASN 45 13.338 3.228 1.813
380 HD22 ASN 45 2HD2 ASN 45 14.532 2.295 1.045
381 H ALA 46 H ALA 46 9.308 1.531 -1.288
382 HA ALA 46 HA ALA 46 11.169 1.218 -3.409
383 HB1 ALA 46 1HB ALA 46 9.246 -0.330 -2.978
384 HB2 ALA 46 2HB ALA 46 9.346 0.211 -4.653
385 HB3 ALA 46 3HB ALA 46 8.156 0.924 -3.562
386 H LEU 47 H LEU 47 8.401 3.389 -2.947
387 HA LEU 47 HA LEU 47 8.381 4.619 -5.453
388 HB2 LEU 47 2HB LEU 47 6.798 4.797 -3.326
389 HB3 LEU 47 1HB LEU 47 7.801 6.191 -2.964
390 HG LEU 47 HG LEU 47 5.930 7.020 -4.202
391 HD11 LEU 47 1HD1 LEU 47 8.275 7.765 -4.901
392 HD12 LEU 47 2HD1 LEU 47 6.969 8.077 -6.044
393 HD13 LEU 47 3HD1 LEU 47 8.067 6.721 -6.311
394 HD21 LEU 47 1HD2 LEU 47 5.513 4.611 -5.197
395 HD22 LEU 47 2HD2 LEU 47 6.471 5.220 -6.545
396 HD23 LEU 47 3HD2 LEU 47 4.978 6.036 -6.084
397 H GLY 48 H GLY 48 10.184 5.499 -2.476
398 HA2 GLY 48 2HA GLY 48 11.370 7.840 -3.477
399 HA3 GLY 48 1HA GLY 48 12.020 6.852 -2.173
400 H TRP 49 H TRP 49 12.408 4.456 -3.568
401 HA TRP 49 HA TRP 49 14.793 5.149 -5.130
402 HB2 TRP 49 2HB TRP 49 13.772 2.565 -3.940
403 HB3 TRP 49 1HB TRP 49 15.193 2.644 -4.982
404 HD1 TRP 49 HD TRP 49 14.108 3.126 -1.459
405 HE1 TRP 49 1HE TRP 49 16.050 4.072 -0.048
406 HE3 TRP 49 3HE TRP 49 17.359 4.411 -5.181
407 HZ2 TRP 49 2HZ TRP 49 18.634 5.229 -0.448
408 HZ3 TRP 49 3HZ TRP 49 19.548 5.437 -4.638
409 HH2 TRP 49 HH TRP 49 20.189 5.849 -2.280
410 H ARG 50 H ARG 50 15.258 3.796 -7.099
411 HA ARG 50 HA ARG 50 13.632 4.253 -9.192
412 HB2 ARG 50 2HB ARG 50 15.853 3.172 -9.386
413 HB3 ARG 50 1HB ARG 50 15.141 1.656 -8.827
414 HG2 ARG 50 2HG ARG 50 13.585 1.666 -10.734
415 HG3 ARG 50 1HG ARG 50 14.263 3.193 -11.290
416 HD2 ARG 50 2HD ARG 50 15.871 0.649 -10.961
417 HD3 ARG 50 1HD ARG 50 15.167 1.180 -12.485
418 HE ARG 50 HE ARG 50 16.687 3.307 -11.488
419 HH11 ARG 50 1HH1 ARG 50 18.806 3.636 -12.240
420 HH12 ARG 50 2HH1 ARG 50 19.673 2.328 -12.974
421 HH21 ARG 50 1HH2 ARG 50 17.079 0.057 -12.612
422 HH22 ARG 50 2HH2 ARG 50 18.696 0.302 -13.180
Start of MODEL 13
1 H FME 1 H FME 1 -11.993 -4.741 -0.303
2 HCN FME 1 HF FME 1 -13.134 -5.248 1.678
3 HA FME 1 HA FME 1 -9.721 -4.064 1.402
4 HB2 FME 1 1HB FME 1 -9.478 -5.309 -0.795
5 HB3 FME 1 2HB FME 1 -8.434 -3.899 -0.607
6 HG2 FME 1 1HG FME 1 -9.687 -2.617 -2.110
7 HG3 FME 1 2HG FME 1 -11.144 -3.578 -1.871
8 HE1 FME 1 1HE FME 1 -7.352 -4.680 -4.062
9 HE2 FME 1 2HE FME 1 -7.631 -3.518 -2.769
10 HE3 FME 1 3HE FME 1 -8.087 -3.113 -4.424
11 H ALA 2 H ALA 2 -12.435 -2.508 0.615
12 HA ALA 2 HA ALA 2 -11.628 0.024 -0.322
13 HB1 ALA 2 1HB ALA 2 -13.933 -0.602 1.535
14 HB2 ALA 2 2HB ALA 2 -13.983 -0.792 -0.217
15 HB3 ALA 2 3HB ALA 2 -13.768 0.809 0.491
16 H GLY 3 H GLY 3 -11.896 -1.320 2.940
17 HA2 GLY 3 2HA GLY 3 -11.375 1.076 4.343
18 HA3 GLY 3 1HA GLY 3 -11.107 -0.550 4.966
19 H LEU 4 H LEU 4 -9.260 -1.452 3.064
20 HA LEU 4 HA LEU 4 -6.849 -0.526 4.154
21 HB2 LEU 4 2HB LEU 4 -7.077 -2.752 3.259
22 HB3 LEU 4 1HB LEU 4 -7.481 -2.130 1.668
23 HG LEU 4 HG LEU 4 -5.107 -2.981 1.959
24 HD11 LEU 4 1HD1 LEU 4 -4.373 -1.567 0.333
25 HD12 LEU 4 2HD1 LEU 4 -4.743 -0.117 1.255
26 HD13 LEU 4 3HD1 LEU 4 -6.027 -0.945 0.384
27 HD21 LEU 4 1HD2 LEU 4 -5.004 -1.854 4.304
28 HD22 LEU 4 2HD2 LEU 4 -4.576 -0.396 3.406
29 HD23 LEU 4 3HD2 LEU 4 -3.559 -1.828 3.299
30 H LEU 5 H LEU 5 -8.491 0.178 1.108
31 HA LEU 5 HA LEU 5 -6.460 1.790 -0.020
32 HB2 LEU 5 2HB LEU 5 -9.452 1.690 -0.455
33 HB3 LEU 5 1HB LEU 5 -8.382 2.706 -1.415
34 HG LEU 5 HG LEU 5 -8.026 -0.292 -1.094
35 HD11 LEU 5 1HD1 LEU 5 -9.335 1.311 -3.309
36 HD12 LEU 5 2HD1 LEU 5 -10.139 0.176 -2.226
37 HD13 LEU 5 3HD1 LEU 5 -8.965 -0.413 -3.399
38 HD21 LEU 5 1HD2 LEU 5 -6.624 1.893 -2.608
39 HD22 LEU 5 2HD2 LEU 5 -6.762 0.314 -3.383
40 HD23 LEU 5 3HD2 LEU 5 -5.951 0.465 -1.824
41 H ARG 6 H ARG 6 -9.281 2.568 1.956
42 HA ARG 6 HA ARG 6 -8.995 5.351 1.878
43 HB2 ARG 6 2HB ARG 6 -10.989 4.154 2.717
44 HB3 ARG 6 1HB ARG 6 -10.075 3.655 4.136
45 HG2 ARG 6 2HG ARG 6 -10.046 6.586 3.533
46 HG3 ARG 6 1HG ARG 6 -11.589 5.919 4.050
47 HD2 ARG 6 2HD ARG 6 -10.475 4.940 6.059
48 HD3 ARG 6 1HD ARG 6 -8.963 5.666 5.563
49 HE ARG 6 HE ARG 6 -11.036 7.626 5.782
50 HH11 ARG 6 1HH1 ARG 6 -10.928 9.044 7.560
51 HH12 ARG 6 2HH1 ARG 6 -9.890 8.677 8.898
52 HH21 ARG 6 1HH2 ARG 6 -8.763 5.686 7.547
53 HH22 ARG 6 2HH2 ARG 6 -8.668 6.776 8.891
54 H PHE 7 H PHE 7 -7.666 2.949 4.103
55 HA PHE 7 HA PHE 7 -6.429 4.714 5.896
56 HB2 PHE 7 2HB PHE 7 -6.730 2.298 6.325
57 HB3 PHE 7 1HB PHE 7 -5.582 1.925 5.044
58 HD1 PHE 7 1HD PHE 7 -3.230 2.013 5.422
59 HD2 PHE 7 2HD PHE 7 -5.958 3.562 8.361
60 HE1 PHE 7 1HE PHE 7 -1.364 2.231 7.036
61 HE2 PHE 7 2HE PHE 7 -4.093 3.788 9.976
62 HZ PHE 7 HZ PHE 7 -1.792 3.125 9.314
63 H LEU 8 H LEU 8 -5.197 3.159 2.937
64 HA LEU 8 HA LEU 8 -2.583 4.205 3.105
65 HB2 LEU 8 2HB LEU 8 -4.252 3.133 0.848
66 HB3 LEU 8 1HB LEU 8 -2.676 3.849 0.520
67 HG LEU 8 HG LEU 8 -3.173 1.571 2.475
68 HD11 LEU 8 1HD1 LEU 8 -2.461 0.074 0.824
69 HD12 LEU 8 2HD1 LEU 8 -1.679 1.338 -0.124
70 HD13 LEU 8 3HD1 LEU 8 -3.439 1.211 -0.112
71 HD21 LEU 8 1HD2 LEU 8 -0.463 1.576 1.798
72 HD22 LEU 8 2HD2 LEU 8 -1.154 2.217 3.292
73 HD23 LEU 8 3HD2 LEU 8 -0.846 3.293 1.938
74 H LEU 9 H LEU 9 -5.509 5.473 1.540
75 HA LEU 9 HA LEU 9 -4.306 7.701 0.290
76 HB2 LEU 9 2HB LEU 9 -6.692 6.643 0.056
77 HB3 LEU 9 1HB LEU 9 -7.113 7.772 1.343
78 HG LEU 9 HG LEU 9 -5.780 8.570 -1.261
79 HD11 LEU 9 1HD1 LEU 9 -8.127 7.676 -1.513
80 HD12 LEU 9 2HD1 LEU 9 -7.961 9.373 -1.966
81 HD13 LEU 9 3HD1 LEU 9 -8.669 8.944 -0.410
82 HD21 LEU 9 1HD2 LEU 9 -6.634 10.017 1.221
83 HD22 LEU 9 2HD2 LEU 9 -6.904 10.835 -0.317
84 HD23 LEU 9 3HD2 LEU 9 -5.275 10.342 0.143
85 H SER 10 H SER 10 -5.828 7.319 3.498
86 HA SER 10 HA SER 10 -5.656 10.011 4.297
87 HB2 SER 10 2HB SER 10 -6.996 8.311 5.515
88 HB3 SER 10 1HB SER 10 -5.506 7.538 6.048
89 HG SER 10 HG SER 10 -5.280 10.106 6.582
90 H LYS 11 H LYS 11 -3.347 7.310 4.586
91 HA LYS 11 HA LYS 11 -1.461 8.851 6.105
92 HB2 LYS 11 2HB LYS 11 -1.100 6.325 4.478
93 HB3 LYS 11 1HB LYS 11 0.139 7.011 5.529
94 HG2 LYS 11 2HG LYS 11 -2.626 6.212 6.462
95 HG3 LYS 11 1HG LYS 11 -1.196 5.188 6.605
96 HD2 LYS 11 2HD LYS 11 -0.144 7.288 7.794
97 HD3 LYS 11 1HD LYS 11 -1.831 7.762 8.040
98 HE2 LYS 11 2HE LYS 11 -2.312 5.604 9.086
99 HE3 LYS 11 1HE LYS 11 -0.634 5.113 8.861
100 HZ1 LYS 11 1HZ LYS 11 -1.307 7.588 10.322
101 HZ2 LYS 11 2HZ LYS 11 0.110 6.654 10.402
102 HZ3 LYS 11 3HZ LYS 11 -1.328 6.085 11.105
103 H GLY 12 H GLY 12 -1.738 8.113 2.664
104 HA2 GLY 12 2HA GLY 12 -0.364 10.509 1.929
105 HA3 GLY 12 1HA GLY 12 0.648 9.083 1.705
106 H ARG 13 H ARG 13 -0.086 10.656 -0.450
107 HA ARG 13 HA ARG 13 -2.345 9.355 -1.771
108 HB2 ARG 13 2HB ARG 13 -2.047 11.792 -1.950
109 HB3 ARG 13 1HB ARG 13 -0.502 11.534 -2.755
110 HG2 ARG 13 2HG ARG 13 -1.633 10.328 -4.582
111 HG3 ARG 13 1HG ARG 13 -3.186 10.532 -3.776
112 HD2 ARG 13 2HD ARG 13 -2.977 12.248 -5.480
113 HD3 ARG 13 1HD ARG 13 -2.850 13.019 -3.903
114 HE ARG 13 HE ARG 13 -0.264 12.320 -4.803
115 HH11 ARG 13 1HH1 ARG 13 1.058 13.920 -5.690
116 HH12 ARG 13 2HH1 ARG 13 0.363 15.402 -6.253
117 HH21 ARG 13 1HH2 ARG 13 -2.891 14.469 -5.478
118 HH22 ARG 13 2HH2 ARG 13 -1.883 15.715 -6.134
119 H ALA 14 H ALA 14 1.155 9.452 -1.924
120 HA ALA 14 HA ALA 14 1.530 8.229 -4.431
121 HB1 ALA 14 1HB ALA 14 3.477 9.129 -3.515
122 HB2 ALA 14 2HB ALA 14 3.715 7.404 -3.229
123 HB3 ALA 14 3HB ALA 14 3.157 8.453 -1.919
124 H LEU 15 H LEU 15 1.186 6.842 -1.162
125 HA LEU 15 HA LEU 15 1.588 4.154 -1.870
126 HB2 LEU 15 2HB LEU 15 -0.263 5.142 0.297
127 HB3 LEU 15 1HB LEU 15 0.617 3.625 0.240
128 HG LEU 15 HG LEU 15 2.067 6.282 0.251
129 HD11 LEU 15 1HD1 LEU 15 0.742 6.387 2.218
130 HD12 LEU 15 2HD1 LEU 15 2.324 5.812 2.743
131 HD13 LEU 15 3HD1 LEU 15 0.987 4.678 2.563
132 HD21 LEU 15 1HD2 LEU 15 3.777 4.765 1.412
133 HD22 LEU 15 2HD2 LEU 15 3.530 4.474 -0.301
134 HD23 LEU 15 3HD2 LEU 15 2.787 3.410 0.893
135 H TYR 16 H TYR 16 -1.339 6.138 -1.747
136 HA TYR 16 HA TYR 16 -3.223 4.132 -2.313
137 HB2 TYR 16 2HB TYR 16 -3.915 6.301 -1.478
138 HB3 TYR 16 1HB TYR 16 -3.234 7.107 -2.889
139 HD1 TYR 16 1HD TYR 16 -4.672 7.683 -4.615
140 HD2 TYR 16 2HD TYR 16 -5.671 4.358 -2.077
141 HE1 TYR 16 1HE TYR 16 -6.824 7.420 -5.806
142 HE2 TYR 16 2HE TYR 16 -7.826 4.101 -3.267
143 HH TYR 16 HH TYR 16 -8.523 4.939 -5.966
144 H ASN 17 H ASN 17 -1.417 6.318 -4.469
145 HA ASN 17 HA ASN 17 -2.577 5.441 -6.878
146 HB2 ASN 17 2HB ASN 17 -1.193 7.479 -6.682
147 HB3 ASN 17 1HB ASN 17 0.230 6.474 -6.413
148 HD21 ASN 17 1HD2 ASN 17 1.251 7.183 -8.398
149 HD22 ASN 17 2HD2 ASN 17 0.667 6.693 -9.915
150 H TRP 18 H TRP 18 0.272 4.346 -5.087
151 HA TRP 18 HA TRP 18 1.198 2.438 -6.905
152 HB2 TRP 18 2HB TRP 18 2.632 3.005 -5.105
153 HB3 TRP 18 1HB TRP 18 1.384 2.682 -3.900
154 HD1 TRP 18 HD TRP 18 1.058 0.283 -3.069
155 HE1 TRP 18 1HE TRP 18 2.370 -1.910 -3.422
156 HE3 TRP 18 3HE TRP 18 4.039 1.629 -7.005
157 HZ2 TRP 18 2HZ TRP 18 4.391 -2.952 -5.124
158 HZ3 TRP 18 3HZ TRP 18 5.632 0.005 -7.977
159 HH2 TRP 18 HH TRP 18 5.814 -2.287 -7.046
160 H ALA 19 H ALA 19 -1.101 2.078 -4.201
161 HA ALA 19 HA ALA 19 -1.529 -0.685 -4.489
162 HB1 ALA 19 1HB ALA 19 -3.801 -0.067 -3.389
163 HB2 ALA 19 2HB ALA 19 -3.134 1.564 -3.306
164 HB3 ALA 19 3HB ALA 19 -2.317 0.238 -2.486
165 H LYS 20 H LYS 20 -3.184 2.110 -5.910
166 HA LYS 20 HA LYS 20 -5.218 0.657 -7.210
167 HB2 LYS 20 2HB LYS 20 -5.255 3.118 -6.879
168 HB3 LYS 20 1HB LYS 20 -3.970 3.278 -8.075
169 HG2 LYS 20 2HG LYS 20 -5.416 2.257 -9.786
170 HG3 LYS 20 1HG LYS 20 -6.693 2.037 -8.593
171 HD2 LYS 20 2HD LYS 20 -6.802 4.490 -8.266
172 HD3 LYS 20 1HD LYS 20 -5.544 4.701 -9.484
173 HE2 LYS 20 2HE LYS 20 -7.004 3.615 -11.170
174 HE3 LYS 20 1HE LYS 20 -8.265 3.438 -9.951
175 HZ1 LYS 20 1HZ LYS 20 -8.068 5.537 -11.582
176 HZ2 LYS 20 2HZ LYS 20 -7.190 6.114 -10.247
177 HZ3 LYS 20 3HZ LYS 20 -8.798 5.600 -10.054
178 H SER 21 H SER 21 -2.009 1.701 -8.310
179 HA SER 21 HA SER 21 -2.244 0.785 -10.952
180 HB2 SER 21 2HB SER 21 -0.486 2.350 -10.239
181 HB3 SER 21 1HB SER 21 0.244 1.094 -9.247
182 HG SER 21 HG SER 21 -0.149 0.163 -11.716
183 H HIS 22 H HIS 22 -1.030 -0.843 -8.030
184 HA HIS 22 HA HIS 22 -1.081 -3.398 -9.542
185 HB2 HIS 22 2HB HIS 22 0.856 -2.481 -7.403
186 HB3 HIS 22 1HB HIS 22 0.761 -4.131 -8.020
187 HD1 HIS 22 1HD HIS 22 1.043 -4.320 -10.731
188 HD2 HIS 22 2HD HIS 22 2.477 -0.837 -8.948
189 HE1 HIS 22 1HE HIS 22 2.628 -3.265 -12.399
190 HE2 HIS 22 2HE HIS 22 3.529 -1.151 -11.315
191 H VAL 23 H VAL 23 -3.238 -3.750 -8.850
192 HA VAL 23 HA VAL 23 -4.001 -3.732 -6.122
193 HB VAL 23 HB VAL 23 -5.947 -5.059 -6.870
194 HG11 VAL 23 1HG1 VAL 23 -6.604 -3.444 -8.811
195 HG12 VAL 23 2HG1 VAL 23 -5.071 -2.652 -8.450
196 HG13 VAL 23 3HG1 VAL 23 -6.317 -2.774 -7.206
197 HG21 VAL 23 1HG2 VAL 23 -4.906 -6.537 -8.455
198 HG22 VAL 23 2HG2 VAL 23 -4.365 -5.181 -9.445
199 HG23 VAL 23 3HG2 VAL 23 -6.082 -5.563 -9.338
200 H GLY 24 H GLY 24 -2.335 -5.970 -8.136
201 HA2 GLY 24 2HA GLY 24 -2.734 -8.386 -6.745
202 HA3 GLY 24 1HA GLY 24 -1.326 -7.999 -7.730
203 H LYS 25 H LYS 25 -0.388 -5.751 -6.250
204 HA LYS 25 HA LYS 25 1.143 -7.046 -4.255
205 HB2 LYS 25 2HB LYS 25 0.600 -4.110 -4.739
206 HB3 LYS 25 1HB LYS 25 1.838 -4.727 -3.644
207 HG2 LYS 25 2HG LYS 25 1.777 -5.606 -6.533
208 HG3 LYS 25 1HG LYS 25 2.522 -4.077 -6.078
209 HD2 LYS 25 2HD LYS 25 4.007 -5.248 -4.511
210 HD3 LYS 25 1HD LYS 25 3.284 -6.792 -4.959
211 HE2 LYS 25 2HE LYS 25 5.355 -6.447 -6.226
212 HE3 LYS 25 1HE LYS 25 3.970 -6.412 -7.315
213 HZ1 LYS 25 1HZ LYS 25 5.432 -4.590 -7.815
214 HZ2 LYS 25 2HZ LYS 25 5.403 -4.058 -6.201
215 HZ3 LYS 25 3HZ LYS 25 3.997 -3.973 -7.152
216 H VAL 26 H VAL 26 -1.752 -5.043 -4.112
217 HA VAL 26 HA VAL 26 -1.939 -4.732 -1.328
218 HB VAL 26 HB VAL 26 -4.088 -4.811 -3.449
219 HG11 VAL 26 1HG1 VAL 26 -5.399 -3.577 -1.615
220 HG12 VAL 26 2HG1 VAL 26 -4.176 -4.173 -0.495
221 HG13 VAL 26 3HG1 VAL 26 -5.176 -5.314 -1.389
222 HG21 VAL 26 1HG2 VAL 26 -3.924 -2.426 -3.437
223 HG22 VAL 26 2HG2 VAL 26 -2.253 -2.989 -3.446
224 HG23 VAL 26 3HG2 VAL 26 -2.985 -2.421 -1.945
225 H TRP 27 H TRP 27 -3.245 -7.108 -3.550
226 HA TRP 27 HA TRP 27 -4.651 -8.644 -1.636
227 HB2 TRP 27 2HB TRP 27 -3.550 -9.311 -4.353
228 HB3 TRP 27 1HB TRP 27 -4.368 -10.521 -3.359
229 HD1 TRP 27 HD TRP 27 -5.305 -6.790 -3.743
230 HE1 TRP 27 1HE TRP 27 -7.709 -6.648 -4.643
231 HE3 TRP 27 3HE TRP 27 -6.304 -11.758 -4.430
232 HZ2 TRP 27 2HZ TRP 27 -9.778 -8.382 -5.534
233 HZ3 TRP 27 3HZ TRP 27 -8.509 -12.475 -5.319
234 HH2 TRP 27 HH TRP 27 -10.244 -10.793 -5.869
235 H GLU 28 H GLU 28 -1.349 -8.941 -2.899
236 HA GLU 28 HA GLU 28 -0.624 -11.308 -1.614
237 HB2 GLU 28 2HB GLU 28 0.712 -10.191 -3.391
238 HB3 GLU 28 1HB GLU 28 1.167 -8.940 -2.234
239 HG2 GLU 28 2HG GLU 28 2.227 -10.628 -0.796
240 HG3 GLU 28 1HG GLU 28 1.713 -11.903 -1.901
241 H TRP 29 H TRP 29 -0.334 -7.900 -0.439
242 HA TRP 29 HA TRP 29 0.941 -8.695 1.985
243 HB2 TRP 29 2HB TRP 29 -0.755 -6.230 1.802
244 HB3 TRP 29 1HB TRP 29 0.677 -6.524 2.760
245 HD1 TRP 29 HD TRP 29 -0.233 -4.488 0.110
246 HE1 TRP 29 1HE TRP 29 1.659 -3.987 -1.556
247 HE3 TRP 29 3HE TRP 29 3.084 -8.145 1.435
248 HZ2 TRP 29 2HZ TRP 29 4.245 -4.984 -2.221
249 HZ3 TRP 29 3HZ TRP 29 5.264 -8.313 0.278
250 HH2 TRP 29 HH TRP 29 5.850 -6.745 -1.541
251 H LEU 30 H LEU 30 -2.465 -8.211 1.106
252 HA LEU 30 HA LEU 30 -3.431 -8.466 3.760
253 HB2 LEU 30 2HB LEU 30 -4.663 -8.723 1.043
254 HB3 LEU 30 1HB LEU 30 -5.556 -9.363 2.422
255 HG LEU 30 HG LEU 30 -5.224 -7.089 3.553
256 HD11 LEU 30 1HD1 LEU 30 -4.712 -6.045 0.783
257 HD12 LEU 30 2HD1 LEU 30 -3.363 -6.478 1.834
258 HD13 LEU 30 3HD1 LEU 30 -4.503 -5.231 2.328
259 HD21 LEU 30 1HD2 LEU 30 -7.373 -7.681 2.561
260 HD22 LEU 30 2HD2 LEU 30 -6.790 -7.227 0.959
261 HD23 LEU 30 3HD2 LEU 30 -7.009 -5.990 2.198
262 H LYS 31 H LYS 31 -2.830 -10.889 1.223
263 HA LYS 31 HA LYS 31 -3.845 -13.101 2.622
264 HB2 LYS 31 2HB LYS 31 -3.288 -13.139 0.228
265 HB3 LYS 31 1HB LYS 31 -1.580 -12.962 0.623
266 HG2 LYS 31 2HG LYS 31 -1.976 -15.293 0.208
267 HG3 LYS 31 1HG LYS 31 -1.751 -15.117 1.940
268 HD2 LYS 31 2HD LYS 31 -4.070 -15.350 2.384
269 HD3 LYS 31 1HD LYS 31 -4.504 -15.080 0.693
270 HE2 LYS 31 2HE LYS 31 -4.687 -17.453 1.134
271 HE3 LYS 31 1HE LYS 31 -3.259 -17.208 0.130
272 HZ1 LYS 31 1HZ LYS 31 -1.906 -17.873 1.762
273 HZ2 LYS 31 2HZ LYS 31 -3.292 -18.536 2.487
274 HZ3 LYS 31 3HZ LYS 31 -2.739 -16.999 2.954
275 H SER 32 H SER 32 -0.617 -11.633 2.545
276 HA SER 32 HA SER 32 0.737 -13.497 4.151
277 HB2 SER 32 2HB SER 32 2.046 -11.890 2.982
278 HB3 SER 32 1HB SER 32 1.132 -10.545 3.657
279 HG SER 32 HG SER 32 2.822 -10.588 4.967
280 H GLY 33 H GLY 33 -1.055 -10.530 5.024
281 HA2 GLY 33 2HA GLY 33 -2.348 -10.346 7.040
282 HA3 GLY 33 1HA GLY 33 -1.301 -11.550 7.783
283 H ALA 34 H ALA 34 0.350 -9.198 5.943
284 HA ALA 34 HA ALA 34 1.846 -8.245 8.136
285 HB1 ALA 34 1HB ALA 34 1.519 -7.414 5.267
286 HB2 ALA 34 2HB ALA 34 2.950 -8.044 6.082
287 HB3 ALA 34 3HB ALA 34 2.428 -6.386 6.373
288 H THR 35 H THR 35 2.038 -5.619 8.203
289 HA THR 35 HA THR 35 -0.650 -4.719 9.056
290 HB THR 35 HB THR 35 0.506 -3.082 10.428
291 HG1 THR 35 1HG THR 35 2.759 -3.039 10.457
292 HG21 THR 35 1HG2 THR 35 0.244 -5.526 11.146
293 HG22 THR 35 2HG2 THR 35 1.412 -4.554 12.038
294 HG23 THR 35 3HG2 THR 35 1.967 -5.688 10.806
295 H TYR 36 H TYR 36 -1.344 -2.612 8.515
296 HA TYR 36 HA TYR 36 -0.953 -1.842 5.848
297 HB2 TYR 36 2HB TYR 36 -1.935 -0.032 8.050
298 HB3 TYR 36 1HB TYR 36 -2.339 0.039 6.338
299 HD1 TYR 36 1HD TYR 36 -3.099 -2.550 5.494
300 HD2 TYR 36 2HD TYR 36 -3.695 -0.753 9.350
301 HE1 TYR 36 1HE TYR 36 -5.004 -4.077 5.910
302 HE2 TYR 36 2HE TYR 36 -5.599 -2.294 9.768
303 HH TYR 36 HH TYR 36 -7.128 -4.007 7.395
304 H GLU 37 H GLU 37 0.419 -0.560 8.849
305 HA GLU 37 HA GLU 37 1.840 1.598 7.727
306 HB2 GLU 37 2HB GLU 37 1.433 1.322 10.141
307 HB3 GLU 37 1HB GLU 37 2.544 -0.046 10.172
308 HG2 GLU 37 2HG GLU 37 4.363 1.443 9.369
309 HG3 GLU 37 1HG GLU 37 3.229 2.790 9.360
310 H GLN 38 H GLN 38 2.934 -1.697 8.510
311 HA GLN 38 HA GLN 38 5.544 -1.328 7.613
312 HB2 GLN 38 2HB GLN 38 4.744 -3.235 8.954
313 HB3 GLN 38 1HB GLN 38 3.895 -3.854 7.536
314 HG2 GLN 38 2HG GLN 38 6.053 -3.952 6.312
315 HG3 GLN 38 1HG GLN 38 6.885 -3.394 7.762
316 HE21 GLN 38 1HE2 GLN 38 8.027 -5.216 8.439
317 HE22 GLN 38 2HE2 GLN 38 7.338 -6.743 8.703
318 H ILE 39 H ILE 39 2.643 -2.342 5.842
319 HA ILE 39 HA ILE 39 3.947 -3.003 3.455
320 HB ILE 39 HB ILE 39 1.126 -2.087 3.997
321 HG12 ILE 39 2HG1 ILE 39 2.111 -4.857 3.318
322 HG13 ILE 39 1HG1 ILE 39 2.136 -4.289 4.982
323 HG21 ILE 39 1HG2 ILE 39 1.629 -1.740 1.630
324 HG22 ILE 39 2HG2 ILE 39 0.652 -3.192 1.791
325 HG23 ILE 39 3HG2 ILE 39 2.393 -3.326 1.529
326 HD11 ILE 39 1HD1 ILE 39 -0.306 -3.699 4.731
327 HD12 ILE 39 2HD1 ILE 39 0.008 -5.413 4.630
328 HD13 ILE 39 3HD1 ILE 39 -0.282 -4.473 3.163
329 H LYS 40 H LYS 40 2.489 0.142 4.536
330 HA LYS 40 HA LYS 40 3.134 1.371 2.028
331 HB2 LYS 40 2HB LYS 40 2.992 3.575 3.171
332 HB3 LYS 40 1HB LYS 40 1.522 2.579 3.268
333 HG2 LYS 40 2HG LYS 40 1.900 2.037 5.508
334 HG3 LYS 40 1HG LYS 40 3.601 2.537 5.443
335 HD2 LYS 40 2HD LYS 40 1.459 4.572 4.835
336 HD3 LYS 40 1HD LYS 40 1.764 4.145 6.520
337 HE2 LYS 40 2HE LYS 40 4.222 4.633 6.103
338 HE3 LYS 40 1HE LYS 40 3.755 5.262 4.524
339 HZ1 LYS 40 1HZ LYS 40 2.050 6.440 6.339
340 HZ2 LYS 40 2HZ LYS 40 3.346 7.177 5.524
341 HZ3 LYS 40 3HZ LYS 40 3.581 6.503 7.066
342 H GLU 41 H GLU 41 4.852 0.920 5.068
343 HA GLU 41 HA GLU 41 6.953 2.668 4.689
344 HB2 GLU 41 2HB GLU 41 6.616 1.367 6.758
345 HB3 GLU 41 1HB GLU 41 7.084 -0.099 5.896
346 HG2 GLU 41 2HG GLU 41 9.287 0.856 5.427
347 HG3 GLU 41 1HG GLU 41 8.824 2.356 6.227
348 H TRP 42 H TRP 42 6.646 -0.747 3.638
349 HA TRP 42 HA TRP 42 9.127 -0.899 2.309
350 HB2 TRP 42 2HB TRP 42 6.522 -2.293 1.647
351 HB3 TRP 42 1HB TRP 42 8.078 -2.709 0.950
352 HD1 TRP 42 HD TRP 42 9.758 -2.536 3.751
353 HE1 TRP 42 1HE TRP 42 9.437 -4.455 5.444
354 HE3 TRP 42 3HE TRP 42 5.271 -4.406 2.157
355 HZ2 TRP 42 2HZ TRP 42 7.542 -6.492 6.048
356 HZ3 TRP 42 3HZ TRP 42 4.232 -6.338 3.307
357 HH2 TRP 42 HH TRP 42 5.367 -7.387 5.249
358 H ILE 43 H ILE 43 5.923 0.045 1.198
359 HA ILE 43 HA ILE 43 6.570 0.389 -1.526
360 HB ILE 43 HB ILE 43 4.449 1.667 0.186
361 HG12 ILE 43 2HG1 ILE 43 4.296 -0.524 -1.887
362 HG13 ILE 43 1HG1 ILE 43 4.464 -0.827 -0.158
363 HG21 ILE 43 1HG2 ILE 43 4.853 1.733 -2.815
364 HG22 ILE 43 2HG2 ILE 43 4.744 3.118 -1.729
365 HG23 ILE 43 3HG2 ILE 43 3.323 2.118 -2.028
366 HD11 ILE 43 1HD1 ILE 43 2.337 0.010 0.334
367 HD12 ILE 43 2HD1 ILE 43 2.063 -0.776 -1.223
368 HD13 ILE 43 3HD1 ILE 43 2.265 0.973 -1.138
369 H GLU 44 H GLU 44 6.537 2.830 1.078
370 HA GLU 44 HA GLU 44 7.256 4.897 -0.686
371 HB2 GLU 44 2HB GLU 44 7.378 6.311 1.236
372 HB3 GLU 44 1HB GLU 44 6.009 5.217 1.428
373 HG2 GLU 44 2HG GLU 44 6.815 4.518 3.407
374 HG3 GLU 44 1HG GLU 44 8.263 3.923 2.613
375 H ASN 45 H ASN 45 9.200 2.637 1.290
376 HA ASN 45 HA ASN 45 11.674 3.984 0.963
377 HB2 ASN 45 2HB ASN 45 10.916 1.102 1.473
378 HB3 ASN 45 1HB ASN 45 12.602 1.592 1.282
379 HD21 ASN 45 1HD2 ASN 45 11.626 0.572 3.794
380 HD22 ASN 45 2HD2 ASN 45 11.673 1.836 4.928
381 H ALA 46 H ALA 46 9.980 1.523 -0.991
382 HA ALA 46 HA ALA 46 12.028 1.152 -2.913
383 HB1 ALA 46 1HB ALA 46 9.040 0.708 -2.967
384 HB2 ALA 46 2HB ALA 46 10.320 -0.501 -2.845
385 HB3 ALA 46 3HB ALA 46 10.057 0.361 -4.361
386 H LEU 47 H LEU 47 9.245 3.339 -2.754
387 HA LEU 47 HA LEU 47 9.435 4.489 -5.299
388 HB2 LEU 47 2HB LEU 47 7.666 4.723 -3.392
389 HB3 LEU 47 1HB LEU 47 8.662 6.080 -2.874
390 HG LEU 47 HG LEU 47 7.555 5.759 -5.680
391 HD11 LEU 47 1HD1 LEU 47 5.663 6.088 -4.281
392 HD12 LEU 47 2HD1 LEU 47 6.050 7.685 -4.919
393 HD13 LEU 47 3HD1 LEU 47 6.514 7.260 -3.271
394 HD21 LEU 47 1HD2 LEU 47 8.062 8.370 -5.483
395 HD22 LEU 47 2HD2 LEU 47 9.323 7.229 -5.941
396 HD23 LEU 47 3HD2 LEU 47 9.231 7.816 -4.278
397 H GLY 48 H GLY 48 10.948 5.458 -2.198
398 HA2 GLY 48 2HA GLY 48 12.247 7.770 -3.172
399 HA3 GLY 48 1HA GLY 48 12.720 6.849 -1.747
400 H TRP 49 H TRP 49 13.268 4.378 -2.959
401 HA TRP 49 HA TRP 49 15.914 4.752 -3.878
402 HB2 TRP 49 2HB TRP 49 15.354 2.713 -2.737
403 HB3 TRP 49 1HB TRP 49 14.067 2.355 -3.887
404 HD1 TRP 49 HD TRP 49 14.699 0.882 -5.885
405 HE1 TRP 49 1HE TRP 49 16.905 0.057 -6.935
406 HE3 TRP 49 3HE TRP 49 18.045 3.516 -3.083
407 HZ2 TRP 49 2HZ TRP 49 19.721 0.467 -6.630
408 HZ3 TRP 49 3HZ TRP 49 20.480 3.289 -3.482
409 HH2 TRP 49 HH TRP 49 21.324 1.767 -5.249
410 H ARG 50 H ARG 50 12.863 4.023 -5.522
411 HA ARG 50 HA ARG 50 14.136 3.922 -8.137
412 HB2 ARG 50 2HB ARG 50 12.201 2.463 -7.573
413 HB3 ARG 50 1HB ARG 50 11.204 3.905 -7.401
414 HG2 ARG 50 2HG ARG 50 11.668 4.519 -9.748
415 HG3 ARG 50 1HG ARG 50 12.661 3.073 -9.933
416 HD2 ARG 50 2HD ARG 50 10.655 1.702 -9.303
417 HD3 ARG 50 1HD ARG 50 9.697 3.179 -9.331
418 HE ARG 50 HE ARG 50 11.175 2.747 -11.770
419 HH11 ARG 50 1HH1 ARG 50 9.943 2.276 -13.603
420 HH12 ARG 50 2HH1 ARG 50 8.286 1.804 -13.433
421 HH21 ARG 50 1HH2 ARG 50 8.316 2.009 -9.966
422 HH22 ARG 50 2HH2 ARG 50 7.361 1.650 -11.365
Start of MODEL 14
1 H FME 1 H FME 1 -11.084 -4.678 2.535
2 HCN FME 1 HF FME 1 -13.404 -4.767 2.269
3 HA FME 1 HA FME 1 -9.535 -4.031 0.968
4 HB2 FME 1 1HB FME 1 -11.668 -3.788 -1.136
5 HB3 FME 1 2HB FME 1 -11.147 -5.380 -0.587
6 HG2 FME 1 1HG FME 1 -8.848 -4.887 -1.196
7 HG3 FME 1 2HG FME 1 -9.268 -3.218 -1.583
8 HE1 FME 1 1HE FME 1 -7.706 -4.288 -3.384
9 HE2 FME 1 2HE FME 1 -8.636 -3.157 -4.363
10 HE3 FME 1 3HE FME 1 -8.356 -4.795 -4.949
11 H ALA 2 H ALA 2 -12.656 -2.355 0.851
12 HA ALA 2 HA ALA 2 -11.718 0.103 -0.172
13 HB1 ALA 2 1HB ALA 2 -13.810 1.046 0.609
14 HB2 ALA 2 2HB ALA 2 -14.070 -0.328 1.686
15 HB3 ALA 2 3HB ALA 2 -14.113 -0.553 -0.064
16 H GLY 3 H GLY 3 -12.020 -1.064 3.183
17 HA2 GLY 3 2HA GLY 3 -11.347 1.384 4.439
18 HA3 GLY 3 1HA GLY 3 -11.158 -0.217 5.151
19 H LEU 4 H LEU 4 -9.410 -1.310 3.233
20 HA LEU 4 HA LEU 4 -6.892 -0.542 4.213
21 HB2 LEU 4 2HB LEU 4 -7.453 -2.763 3.253
22 HB3 LEU 4 1HB LEU 4 -7.647 -2.031 1.672
23 HG LEU 4 HG LEU 4 -5.423 -3.292 2.344
24 HD11 LEU 4 1HD1 LEU 4 -5.761 -0.826 0.679
25 HD12 LEU 4 2HD1 LEU 4 -5.478 -2.485 0.184
26 HD13 LEU 4 3HD1 LEU 4 -4.164 -1.535 0.869
27 HD21 LEU 4 1HD2 LEU 4 -4.699 -0.494 3.235
28 HD22 LEU 4 2HD2 LEU 4 -3.675 -1.916 3.226
29 HD23 LEU 4 3HD2 LEU 4 -5.021 -1.814 4.356
30 H LEU 5 H LEU 5 -8.532 0.185 1.147
31 HA LEU 5 HA LEU 5 -6.488 1.753 -0.006
32 HB2 LEU 5 2HB LEU 5 -9.485 1.728 -0.424
33 HB3 LEU 5 1HB LEU 5 -8.375 2.670 -1.419
34 HG LEU 5 HG LEU 5 -8.178 -0.332 -1.029
35 HD11 LEU 5 1HD1 LEU 5 -9.424 1.313 -3.247
36 HD12 LEU 5 2HD1 LEU 5 -10.207 0.092 -2.247
37 HD13 LEU 5 3HD1 LEU 5 -8.992 -0.386 -3.431
38 HD21 LEU 5 1HD2 LEU 5 -6.049 0.297 -1.706
39 HD22 LEU 5 2HD2 LEU 5 -6.626 1.729 -2.556
40 HD23 LEU 5 3HD2 LEU 5 -6.821 0.134 -3.283
41 H ARG 6 H ARG 6 -9.304 2.626 1.976
42 HA ARG 6 HA ARG 6 -8.978 5.413 1.853
43 HB2 ARG 6 2HB ARG 6 -11.000 4.293 2.713
44 HB3 ARG 6 1HB ARG 6 -10.093 3.750 4.123
45 HG2 ARG 6 2HG ARG 6 -9.950 6.675 3.573
46 HG3 ARG 6 1HG ARG 6 -11.536 6.075 4.040
47 HD2 ARG 6 2HD ARG 6 -8.994 5.542 5.610
48 HD3 ARG 6 1HD ARG 6 -10.135 6.829 5.979
49 HE ARG 6 HE ARG 6 -11.610 4.471 5.886
50 HH11 ARG 6 1HH1 ARG 6 -12.059 3.296 7.778
51 HH12 ARG 6 2HH1 ARG 6 -11.062 3.504 9.178
52 HH21 ARG 6 1HH2 ARG 6 -8.982 5.835 7.706
53 HH22 ARG 6 2HH2 ARG 6 -9.337 4.929 9.140
54 H PHE 7 H PHE 7 -7.689 3.019 4.159
55 HA PHE 7 HA PHE 7 -6.442 4.806 5.906
56 HB2 PHE 7 2HB PHE 7 -6.768 2.412 6.394
57 HB3 PHE 7 1HB PHE 7 -5.611 1.998 5.131
58 HD1 PHE 7 1HD PHE 7 -3.308 1.945 5.572
59 HD2 PHE 7 2HD PHE 7 -5.956 3.892 8.337
60 HE1 PHE 7 1HE PHE 7 -1.443 2.185 7.187
61 HE2 PHE 7 2HE PHE 7 -4.086 4.135 9.954
62 HZ PHE 7 HZ PHE 7 -1.831 3.277 9.378
63 H LEU 8 H LEU 8 -5.230 3.204 2.964
64 HA LEU 8 HA LEU 8 -2.595 4.213 3.177
65 HB2 LEU 8 2HB LEU 8 -4.233 3.178 0.875
66 HB3 LEU 8 1HB LEU 8 -2.610 3.818 0.623
67 HG LEU 8 HG LEU 8 -3.081 1.771 2.775
68 HD11 LEU 8 1HD1 LEU 8 -4.093 0.765 0.812
69 HD12 LEU 8 2HD1 LEU 8 -2.509 0.025 1.063
70 HD13 LEU 8 3HD1 LEU 8 -2.723 1.246 -0.192
71 HD21 LEU 8 1HD2 LEU 8 -0.680 1.851 0.977
72 HD22 LEU 8 2HD2 LEU 8 -0.789 1.484 2.696
73 HD23 LEU 8 3HD2 LEU 8 -0.866 3.154 2.152
74 H LEU 9 H LEU 9 -5.484 5.469 1.555
75 HA LEU 9 HA LEU 9 -4.253 7.690 0.323
76 HB2 LEU 9 2HB LEU 9 -6.629 6.620 0.048
77 HB3 LEU 9 1HB LEU 9 -7.084 7.771 1.302
78 HG LEU 9 HG LEU 9 -5.678 8.522 -1.278
79 HD11 LEU 9 1HD1 LEU 9 -7.882 7.715 -1.824
80 HD12 LEU 9 2HD1 LEU 9 -7.946 9.478 -1.854
81 HD13 LEU 9 3HD1 LEU 9 -8.593 8.594 -0.472
82 HD21 LEU 9 1HD2 LEU 9 -6.706 10.023 1.112
83 HD22 LEU 9 2HD2 LEU 9 -6.781 10.799 -0.471
84 HD23 LEU 9 3HD2 LEU 9 -5.231 10.281 0.183
85 H SER 10 H SER 10 -5.824 7.332 3.497
86 HA SER 10 HA SER 10 -5.648 10.014 4.307
87 HB2 SER 10 2HB SER 10 -5.553 7.496 5.988
88 HB3 SER 10 1HB SER 10 -5.837 9.121 6.609
89 HG SER 10 HG SER 10 -7.417 8.449 4.474
90 H LYS 11 H LYS 11 -3.296 7.336 4.587
91 HA LYS 11 HA LYS 11 -1.404 8.896 6.087
92 HB2 LYS 11 2HB LYS 11 -1.077 6.366 4.468
93 HB3 LYS 11 1HB LYS 11 0.206 7.074 5.448
94 HG2 LYS 11 2HG LYS 11 -2.507 6.259 6.537
95 HG3 LYS 11 1HG LYS 11 -1.076 5.238 6.604
96 HD2 LYS 11 2HD LYS 11 0.047 7.278 7.792
97 HD3 LYS 11 1HD LYS 11 -1.607 7.826 8.061
98 HE2 LYS 11 2HE LYS 11 -2.167 5.729 9.178
99 HE3 LYS 11 1HE LYS 11 -0.541 5.114 8.877
100 HZ1 LYS 11 1HZ LYS 11 -0.092 7.507 10.066
101 HZ2 LYS 11 2HZ LYS 11 -0.054 5.998 10.848
102 HZ3 LYS 11 3HZ LYS 11 -1.465 6.945 10.891
103 H GLY 12 H GLY 12 -1.745 8.123 2.648
104 HA2 GLY 12 2HA GLY 12 -0.409 10.543 1.872
105 HA3 GLY 12 1HA GLY 12 0.579 9.112 1.589
106 H ARG 13 H ARG 13 -0.202 10.678 -0.544
107 HA ARG 13 HA ARG 13 -2.522 9.397 -1.804
108 HB2 ARG 13 2HB ARG 13 -2.195 11.847 -2.030
109 HB3 ARG 13 1HB ARG 13 -0.671 11.546 -2.865
110 HG2 ARG 13 2HG ARG 13 -1.876 10.291 -4.617
111 HG3 ARG 13 1HG ARG 13 -3.403 10.593 -3.785
112 HD2 ARG 13 2HD ARG 13 -2.939 13.057 -3.999
113 HD3 ARG 13 1HD ARG 13 -1.547 12.656 -4.998
114 HE ARG 13 HE ARG 13 -3.776 11.352 -6.090
115 HH11 ARG 13 1HH1 ARG 13 -4.837 12.274 -7.876
116 HH12 ARG 13 2HH1 ARG 13 -4.673 13.968 -8.195
117 HH21 ARG 13 1HH2 ARG 13 -2.593 14.540 -5.477
118 HH22 ARG 13 2HH2 ARG 13 -3.401 15.252 -6.832
119 H ALA 14 H ALA 14 0.976 9.475 -1.964
120 HA ALA 14 HA ALA 14 1.341 8.208 -4.455
121 HB1 ALA 14 1HB ALA 14 3.161 7.735 -2.108
122 HB2 ALA 14 2HB ALA 14 3.060 9.333 -2.845
123 HB3 ALA 14 3HB ALA 14 3.577 7.948 -3.808
124 H LEU 15 H LEU 15 0.984 6.906 -1.178
125 HA LEU 15 HA LEU 15 1.401 4.188 -1.770
126 HB2 LEU 15 2HB LEU 15 -0.478 5.278 0.320
127 HB3 LEU 15 1HB LEU 15 0.383 3.753 0.347
128 HG LEU 15 HG LEU 15 1.796 6.424 0.299
129 HD11 LEU 15 1HD1 LEU 15 0.573 6.454 2.325
130 HD12 LEU 15 2HD1 LEU 15 2.182 5.887 2.771
131 HD13 LEU 15 3HD1 LEU 15 0.851 4.738 2.612
132 HD21 LEU 15 1HD2 LEU 15 2.618 3.550 0.696
133 HD22 LEU 15 2HD2 LEU 15 3.578 4.858 1.378
134 HD23 LEU 15 3HD2 LEU 15 3.320 4.772 -0.361
135 H TYR 16 H TYR 16 -1.523 6.174 -1.740
136 HA TYR 16 HA TYR 16 -3.417 4.161 -2.276
137 HB2 TYR 16 2HB TYR 16 -4.078 6.356 -1.504
138 HB3 TYR 16 1HB TYR 16 -3.406 7.117 -2.939
139 HD1 TYR 16 1HD TYR 16 -4.883 7.663 -4.633
140 HD2 TYR 16 2HD TYR 16 -5.802 4.361 -2.046
141 HE1 TYR 16 1HE TYR 16 -7.053 7.362 -5.791
142 HE2 TYR 16 2HE TYR 16 -7.972 4.056 -3.206
143 HH TYR 16 HH TYR 16 -8.793 4.800 -5.826
144 H ASN 17 H ASN 17 -1.605 6.320 -4.438
145 HA ASN 17 HA ASN 17 -2.744 5.430 -6.848
146 HB2 ASN 17 2HB ASN 17 -0.093 6.681 -6.167
147 HB3 ASN 17 1HB ASN 17 -0.507 6.229 -7.821
148 HD21 ASN 17 1HD2 ASN 17 -0.116 8.960 -7.153
149 HD22 ASN 17 2HD2 ASN 17 -1.609 9.763 -7.243
150 H TRP 18 H TRP 18 0.115 4.334 -5.065
151 HA TRP 18 HA TRP 18 1.058 2.442 -6.892
152 HB2 TRP 18 2HB TRP 18 2.410 3.074 -4.997
153 HB3 TRP 18 1HB TRP 18 1.176 2.509 -3.867
154 HD1 TRP 18 HD TRP 18 1.152 0.011 -3.252
155 HE1 TRP 18 1HE TRP 18 2.602 -2.021 -3.900
156 HE3 TRP 18 3HE TRP 18 3.843 2.044 -7.084
157 HZ2 TRP 18 2HZ TRP 18 4.646 -2.689 -5.793
158 HZ3 TRP 18 3HZ TRP 18 5.538 0.698 -8.287
159 HH2 TRP 18 HH TRP 18 5.943 -1.665 -7.647
160 H ALA 19 H ALA 19 -1.237 2.086 -4.191
161 HA ALA 19 HA ALA 19 -1.661 -0.677 -4.459
162 HB1 ALA 19 1HB ALA 19 -3.344 1.571 -3.366
163 HB2 ALA 19 2HB ALA 19 -2.435 0.350 -2.474
164 HB3 ALA 19 3HB ALA 19 -3.899 -0.101 -3.346
165 H LYS 20 H LYS 20 -3.341 2.094 -5.916
166 HA LYS 20 HA LYS 20 -5.339 0.601 -7.243
167 HB2 LYS 20 2HB LYS 20 -5.451 3.053 -6.907
168 HB3 LYS 20 1HB LYS 20 -4.139 3.260 -8.067
169 HG2 LYS 20 2HG LYS 20 -5.505 2.208 -9.822
170 HG3 LYS 20 1HG LYS 20 -6.813 1.956 -8.666
171 HD2 LYS 20 2HD LYS 20 -6.975 4.402 -8.319
172 HD3 LYS 20 1HD LYS 20 -5.684 4.647 -9.498
173 HE2 LYS 20 2HE LYS 20 -7.064 3.584 -11.243
174 HE3 LYS 20 1HE LYS 20 -8.352 3.319 -10.067
175 HZ1 LYS 20 1HZ LYS 20 -7.745 5.979 -9.847
176 HZ2 LYS 20 2HZ LYS 20 -9.095 5.315 -10.638
177 HZ3 LYS 20 3HZ LYS 20 -7.689 5.684 -11.517
178 H SER 21 H SER 21 -2.152 1.727 -8.302
179 HA SER 21 HA SER 21 -2.312 0.862 -10.968
180 HB2 SER 21 2HB SER 21 0.107 1.137 -9.175
181 HB3 SER 21 1HB SER 21 0.164 0.937 -10.924
182 HG SER 21 HG SER 21 0.154 3.169 -9.905
183 H HIS 22 H HIS 22 -1.184 -0.835 -8.043
184 HA HIS 22 HA HIS 22 -1.262 -3.360 -9.599
185 HB2 HIS 22 2HB HIS 22 0.767 -2.428 -7.566
186 HB3 HIS 22 1HB HIS 22 0.586 -4.119 -8.033
187 HD1 HIS 22 1HD HIS 22 1.465 -0.739 -9.500
188 HD2 HIS 22 2HD HIS 22 1.672 -4.772 -10.531
189 HE1 HIS 22 1HE HIS 22 2.847 -0.866 -11.617
190 HE2 HIS 22 2HE HIS 22 2.981 -3.319 -12.261
191 H VAL 23 H VAL 23 -3.330 -3.843 -8.872
192 HA VAL 23 HA VAL 23 -4.066 -3.792 -6.124
193 HB VAL 23 HB VAL 23 -6.009 -5.127 -6.839
194 HG11 VAL 23 1HG1 VAL 23 -6.920 -3.519 -8.450
195 HG12 VAL 23 2HG1 VAL 23 -5.292 -2.966 -8.848
196 HG13 VAL 23 3HG1 VAL 23 -5.957 -2.669 -7.242
197 HG21 VAL 23 1HG2 VAL 23 -6.131 -5.686 -9.322
198 HG22 VAL 23 2HG2 VAL 23 -4.989 -6.655 -8.391
199 HG23 VAL 23 3HG2 VAL 23 -4.405 -5.334 -9.402
200 H GLY 24 H GLY 24 -2.336 -5.965 -8.155
201 HA2 GLY 24 2HA GLY 24 -2.709 -8.389 -6.775
202 HA3 GLY 24 1HA GLY 24 -1.311 -7.985 -7.773
203 H LYS 25 H LYS 25 -0.351 -5.765 -6.341
204 HA LYS 25 HA LYS 25 1.214 -7.009 -4.351
205 HB2 LYS 25 2HB LYS 25 0.624 -4.071 -4.809
206 HB3 LYS 25 1HB LYS 25 1.895 -4.695 -3.760
207 HG2 LYS 25 2HG LYS 25 1.766 -5.580 -6.630
208 HG3 LYS 25 1HG LYS 25 2.490 -4.025 -6.223
209 HD2 LYS 25 2HD LYS 25 3.987 -5.195 -4.598
210 HD3 LYS 25 1HD LYS 25 3.328 -6.734 -5.145
211 HE2 LYS 25 2HE LYS 25 4.671 -4.725 -6.967
212 HE3 LYS 25 1HE LYS 25 5.473 -6.137 -6.278
213 HZ1 LYS 25 1HZ LYS 25 3.489 -7.402 -7.290
214 HZ2 LYS 25 2HZ LYS 25 4.756 -6.907 -8.309
215 HZ3 LYS 25 3HZ LYS 25 3.303 -6.026 -8.264
216 H VAL 26 H VAL 26 -1.721 -5.051 -4.195
217 HA VAL 26 HA VAL 26 -1.912 -4.737 -1.410
218 HB VAL 26 HB VAL 26 -3.996 -4.827 -3.588
219 HG11 VAL 26 1HG1 VAL 26 -5.228 -5.501 -1.674
220 HG12 VAL 26 2HG1 VAL 26 -5.457 -3.754 -1.749
221 HG13 VAL 26 3HG1 VAL 26 -4.306 -4.441 -0.605
222 HG21 VAL 26 1HG2 VAL 26 -3.972 -2.464 -3.409
223 HG22 VAL 26 2HG2 VAL 26 -2.271 -2.919 -3.313
224 HG23 VAL 26 3HG2 VAL 26 -3.157 -2.509 -1.845
225 H TRP 27 H TRP 27 -3.225 -7.185 -3.594
226 HA TRP 27 HA TRP 27 -4.544 -8.713 -1.614
227 HB2 TRP 27 2HB TRP 27 -3.469 -9.424 -4.347
228 HB3 TRP 27 1HB TRP 27 -4.311 -10.594 -3.326
229 HD1 TRP 27 HD TRP 27 -4.983 -8.135 -5.911
230 HE1 TRP 27 1HE TRP 27 -7.469 -7.453 -5.943
231 HE3 TRP 27 3HE TRP 27 -6.478 -10.039 -1.414
232 HZ2 TRP 27 2HZ TRP 27 -9.786 -7.681 -4.278
233 HZ3 TRP 27 3HZ TRP 27 -8.826 -9.792 -0.661
234 HH2 TRP 27 HH TRP 27 -10.480 -8.618 -2.087
235 H GLU 28 H GLU 28 -1.296 -8.921 -2.992
236 HA GLU 28 HA GLU 28 -0.425 -11.250 -1.761
237 HB2 GLU 28 2HB GLU 28 0.726 -9.724 -3.538
238 HB3 GLU 28 1HB GLU 28 1.417 -8.907 -2.135
239 HG2 GLU 28 2HG GLU 28 1.596 -11.886 -2.658
240 HG3 GLU 28 1HG GLU 28 2.885 -10.733 -2.989
241 H TRP 29 H TRP 29 -0.175 -7.865 -0.550
242 HA TRP 29 HA TRP 29 1.160 -8.665 1.841
243 HB2 TRP 29 2HB TRP 29 -0.573 -6.218 1.714
244 HB3 TRP 29 1HB TRP 29 0.883 -6.501 2.652
245 HD1 TRP 29 HD TRP 29 -0.124 -4.504 -0.052
246 HE1 TRP 29 1HE TRP 29 1.774 -3.971 -1.703
247 HE3 TRP 29 3HE TRP 29 3.292 -7.988 1.409
248 HZ2 TRP 29 2HZ TRP 29 4.406 -4.896 -2.317
249 HZ3 TRP 29 3HZ TRP 29 5.489 -8.122 0.293
250 HH2 TRP 29 HH TRP 29 6.057 -6.589 -1.564
251 H LEU 30 H LEU 30 -2.272 -8.230 1.038
252 HA LEU 30 HA LEU 30 -3.211 -8.466 3.705
253 HB2 LEU 30 2HB LEU 30 -4.555 -9.036 1.060
254 HB3 LEU 30 1HB LEU 30 -5.389 -9.151 2.610
255 HG LEU 30 HG LEU 30 -3.932 -6.668 1.648
256 HD11 LEU 30 1HD1 LEU 30 -6.779 -7.586 1.366
257 HD12 LEU 30 2HD1 LEU 30 -5.754 -6.765 0.190
258 HD13 LEU 30 3HD1 LEU 30 -6.436 -5.865 1.546
259 HD21 LEU 30 1HD2 LEU 30 -5.671 -5.793 3.518
260 HD22 LEU 30 2HD2 LEU 30 -4.055 -6.354 3.937
261 HD23 LEU 30 3HD2 LEU 30 -5.436 -7.433 4.122
262 H LYS 31 H LYS 31 -2.601 -10.901 1.193
263 HA LYS 31 HA LYS 31 -3.583 -13.132 2.619
264 HB2 LYS 31 2HB LYS 31 -3.088 -13.138 0.183
265 HB3 LYS 31 1HB LYS 31 -1.366 -13.073 0.558
266 HG2 LYS 31 2HG LYS 31 -1.534 -15.194 1.784
267 HG3 LYS 31 1HG LYS 31 -3.267 -15.257 1.462
268 HD2 LYS 31 2HD LYS 31 -2.828 -15.331 -0.959
269 HD3 LYS 31 1HD LYS 31 -1.093 -15.245 -0.654
270 HE2 LYS 31 2HE LYS 31 -1.735 -17.568 -1.042
271 HE3 LYS 31 1HE LYS 31 -1.254 -17.372 0.643
272 HZ1 LYS 31 1HZ LYS 31 -3.322 -18.643 0.376
273 HZ2 LYS 31 2HZ LYS 31 -4.054 -17.287 -0.342
274 HZ3 LYS 31 3HZ LYS 31 -3.550 -17.225 1.279
275 H SER 32 H SER 32 -0.365 -11.651 2.439
276 HA SER 32 HA SER 32 0.942 -13.588 4.050
277 HB2 SER 32 2HB SER 32 2.706 -11.878 4.263
278 HB3 SER 32 1HB SER 32 2.173 -12.047 2.592
279 HG SER 32 HG SER 32 2.341 -9.840 3.479
280 H GLY 33 H GLY 33 -1.165 -10.937 4.792
281 HA2 GLY 33 2HA GLY 33 -2.152 -10.480 6.863
282 HA3 GLY 33 1HA GLY 33 -1.035 -11.617 7.613
283 H ALA 34 H ALA 34 0.347 -9.306 5.499
284 HA ALA 34 HA ALA 34 2.024 -8.211 7.494
285 HB1 ALA 34 1HB ALA 34 2.454 -6.462 5.624
286 HB2 ALA 34 2HB ALA 34 1.418 -7.498 4.639
287 HB3 ALA 34 3HB ALA 34 2.906 -8.143 5.334
288 H THR 35 H THR 35 2.154 -6.004 8.192
289 HA THR 35 HA THR 35 -0.439 -4.952 8.952
290 HB THR 35 HB THR 35 0.863 -3.388 10.317
291 HG1 THR 35 1HG THR 35 3.152 -3.559 10.205
292 HG21 THR 35 1HG2 THR 35 1.728 -6.288 10.342
293 HG22 THR 35 2HG2 THR 35 0.505 -5.513 11.346
294 HG23 THR 35 3HG2 THR 35 2.212 -5.148 11.598
295 H TYR 36 H TYR 36 -1.208 -2.885 8.498
296 HA TYR 36 HA TYR 36 -0.897 -1.974 5.865
297 HB2 TYR 36 2HB TYR 36 -1.911 -0.364 8.202
298 HB3 TYR 36 1HB TYR 36 -2.297 -0.143 6.496
299 HD1 TYR 36 1HD TYR 36 -3.036 -2.572 5.365
300 HD2 TYR 36 2HD TYR 36 -3.613 -1.341 9.442
301 HE1 TYR 36 1HE TYR 36 -4.926 -4.148 5.573
302 HE2 TYR 36 2HE TYR 36 -5.511 -2.920 9.643
303 HH TYR 36 HH TYR 36 -6.290 -4.991 8.561
304 H GLU 37 H GLU 37 0.515 -0.840 8.887
305 HA GLU 37 HA GLU 37 1.764 1.458 7.831
306 HB2 GLU 37 2HB GLU 37 1.400 1.057 10.247
307 HB3 GLU 37 1HB GLU 37 2.611 -0.223 10.200
308 HG2 GLU 37 2HG GLU 37 4.317 1.403 9.493
309 HG3 GLU 37 1HG GLU 37 3.107 2.684 9.479
310 H GLN 38 H GLN 38 3.064 -1.814 8.450
311 HA GLN 38 HA GLN 38 5.655 -1.302 7.524
312 HB2 GLN 38 2HB GLN 38 5.030 -3.286 8.791
313 HB3 GLN 38 1HB GLN 38 4.077 -3.878 7.434
314 HG2 GLN 38 2HG GLN 38 6.095 -3.940 6.046
315 HG3 GLN 38 1HG GLN 38 7.060 -3.342 7.393
316 HE21 GLN 38 1HE2 GLN 38 8.105 -4.983 8.497
317 HE22 GLN 38 2HE2 GLN 38 7.519 -6.564 8.689
318 H ILE 39 H ILE 39 2.752 -2.360 5.775
319 HA ILE 39 HA ILE 39 4.001 -2.849 3.299
320 HB ILE 39 HB ILE 39 1.152 -2.067 3.969
321 HG12 ILE 39 2HG1 ILE 39 2.255 -4.771 3.212
322 HG13 ILE 39 1HG1 ILE 39 2.321 -4.220 4.878
323 HG21 ILE 39 1HG2 ILE 39 0.640 -3.065 1.747
324 HG22 ILE 39 2HG2 ILE 39 2.368 -3.275 1.447
325 HG23 ILE 39 3HG2 ILE 39 1.679 -1.650 1.571
326 HD11 ILE 39 1HD1 ILE 39 -0.163 -4.516 3.171
327 HD12 ILE 39 2HD1 ILE 39 -0.145 -3.795 4.768
328 HD13 ILE 39 3HD1 ILE 39 0.270 -5.486 4.580
329 H LYS 40 H LYS 40 2.447 0.219 4.565
330 HA LYS 40 HA LYS 40 3.008 1.521 2.067
331 HB2 LYS 40 2HB LYS 40 2.799 3.704 3.190
332 HB3 LYS 40 1HB LYS 40 1.368 2.656 3.427
333 HG2 LYS 40 2HG LYS 40 2.117 2.070 5.662
334 HG3 LYS 40 1HG LYS 40 3.637 2.935 5.423
335 HD2 LYS 40 2HD LYS 40 2.376 5.049 5.137
336 HD3 LYS 40 1HD LYS 40 0.867 4.178 5.419
337 HE2 LYS 40 2HE LYS 40 1.929 5.394 7.433
338 HE3 LYS 40 1HE LYS 40 1.421 3.722 7.675
339 HZ1 LYS 40 1HZ LYS 40 4.158 4.289 6.765
340 HZ2 LYS 40 2HZ LYS 40 3.569 2.969 7.657
341 HZ3 LYS 40 3HZ LYS 40 3.777 4.479 8.409
342 H GLU 41 H GLU 41 4.797 1.037 5.063
343 HA GLU 41 HA GLU 41 6.830 2.886 4.686
344 HB2 GLU 41 2HB GLU 41 6.553 1.503 6.712
345 HB3 GLU 41 1HB GLU 41 7.073 0.094 5.795
346 HG2 GLU 41 2HG GLU 41 9.243 1.150 5.360
347 HG3 GLU 41 1HG GLU 41 8.727 2.590 6.236
348 H TRP 42 H TRP 42 6.615 -0.506 3.564
349 HA TRP 42 HA TRP 42 9.070 -0.557 2.174
350 HB2 TRP 42 2HB TRP 42 6.498 -2.034 1.546
351 HB3 TRP 42 1HB TRP 42 8.043 -2.363 0.788
352 HD1 TRP 42 HD TRP 42 9.812 -2.202 3.530
353 HE1 TRP 42 1HE TRP 42 9.638 -4.175 5.164
354 HE3 TRP 42 3HE TRP 42 5.360 -4.203 2.019
355 HZ2 TRP 42 2HZ TRP 42 7.839 -6.334 5.761
356 HZ3 TRP 42 3HZ TRP 42 4.434 -6.214 3.137
357 HH2 TRP 42 HH TRP 42 5.675 -7.281 5.006
358 H ILE 43 H ILE 43 5.807 0.310 1.145
359 HA ILE 43 HA ILE 43 6.443 0.672 -1.576
360 HB ILE 43 HB ILE 43 4.263 1.835 0.148
361 HG12 ILE 43 2HG1 ILE 43 4.245 -0.328 -1.981
362 HG13 ILE 43 1HG1 ILE 43 4.383 -0.646 -0.251
363 HG21 ILE 43 1HG2 ILE 43 4.726 2.040 -2.842
364 HG22 ILE 43 2HG2 ILE 43 4.517 3.363 -1.697
365 HG23 ILE 43 3HG2 ILE 43 3.154 2.317 -2.089
366 HD11 ILE 43 1HD1 ILE 43 2.027 -0.782 -1.259
367 HD12 ILE 43 2HD1 ILE 43 2.103 0.975 -1.388
368 HD13 ILE 43 3HD1 ILE 43 2.212 0.202 0.193
369 H GLU 44 H GLU 44 6.355 3.070 1.069
370 HA GLU 44 HA GLU 44 6.971 5.189 -0.676
371 HB2 GLU 44 2HB GLU 44 7.153 6.593 1.270
372 HB3 GLU 44 1HB GLU 44 5.758 5.516 1.462
373 HG2 GLU 44 2HG GLU 44 6.590 4.720 3.393
374 HG3 GLU 44 1HG GLU 44 8.074 4.227 2.602
375 H ASN 45 H ASN 45 8.996 2.986 1.234
376 HA ASN 45 HA ASN 45 11.447 4.357 0.880
377 HB2 ASN 45 2HB ASN 45 11.119 2.490 2.485
378 HB3 ASN 45 1HB ASN 45 10.956 1.379 1.125
379 HD21 ASN 45 1HD2 ASN 45 12.907 0.181 1.440
380 HD22 ASN 45 2HD2 ASN 45 14.444 0.890 1.333
381 H ALA 46 H ALA 46 9.790 1.861 -1.072
382 HA ALA 46 HA ALA 46 11.826 1.541 -3.007
383 HB1 ALA 46 1HB ALA 46 9.879 0.006 -2.678
384 HB2 ALA 46 2HB ALA 46 10.107 0.497 -4.357
385 HB3 ALA 46 3HB ALA 46 8.841 1.245 -3.383
386 H LEU 47 H LEU 47 8.981 3.651 -2.836
387 HA LEU 47 HA LEU 47 9.160 4.797 -5.377
388 HB2 LEU 47 2HB LEU 47 7.347 4.940 -3.514
389 HB3 LEU 47 1HB LEU 47 8.269 6.323 -2.939
390 HG LEU 47 HG LEU 47 7.281 6.062 -5.800
391 HD11 LEU 47 1HD1 LEU 47 5.396 6.155 -4.131
392 HD12 LEU 47 2HD1 LEU 47 5.456 7.547 -5.213
393 HD13 LEU 47 3HD1 LEU 47 6.047 7.694 -3.560
394 HD21 LEU 47 1HD2 LEU 47 8.716 8.159 -4.205
395 HD22 LEU 47 2HD2 LEU 47 7.573 8.698 -5.434
396 HD23 LEU 47 3HD2 LEU 47 8.941 7.681 -5.886
397 H GLY 48 H GLY 48 10.617 5.821 -2.265
398 HA2 GLY 48 2HA GLY 48 11.820 8.196 -3.185
399 HA3 GLY 48 1HA GLY 48 12.350 7.260 -1.790
400 H TRP 49 H TRP 49 12.997 4.859 -3.083
401 HA TRP 49 HA TRP 49 14.901 5.409 -5.210
402 HB2 TRP 49 2HB TRP 49 16.838 4.595 -4.050
403 HB3 TRP 49 1HB TRP 49 16.162 5.910 -3.093
404 HD1 TRP 49 HD TRP 49 14.898 5.239 -0.812
405 HE1 TRP 49 1HE TRP 49 15.126 3.148 0.686
406 HE3 TRP 49 3HE TRP 49 17.163 2.062 -4.086
407 HZ2 TRP 49 2HZ TRP 49 16.140 0.472 0.509
408 HZ3 TRP 49 3HZ TRP 49 17.750 -0.248 -3.409
409 HH2 TRP 49 HH TRP 49 17.241 -1.047 -1.118
410 H ARG 50 H ARG 50 15.850 3.386 -6.048
411 HA ARG 50 HA ARG 50 15.112 0.830 -5.134
412 HB2 ARG 50 2HB ARG 50 13.448 0.187 -6.835
413 HB3 ARG 50 1HB ARG 50 12.818 1.456 -5.782
414 HG2 ARG 50 2HG ARG 50 13.439 3.145 -7.489
415 HG3 ARG 50 1HG ARG 50 14.017 1.855 -8.543
416 HD2 ARG 50 2HD ARG 50 11.179 2.057 -7.492
417 HD3 ARG 50 1HD ARG 50 11.688 2.612 -9.083
418 HE ARG 50 HE ARG 50 12.502 -0.051 -8.837
419 HH11 ARG 50 1HH1 ARG 50 11.278 -1.680 -9.786
420 HH12 ARG 50 2HH1 ARG 50 9.595 -1.431 -10.111
421 HH21 ARG 50 1HH2 ARG 50 9.569 1.805 -8.839
422 HH22 ARG 50 2HH2 ARG 50 8.621 0.552 -9.571
Start of MODEL 15
1 H FME 1 H FME 1 -11.846 -5.188 1.426
2 HCN FME 1 HF FME 1 -12.080 -4.274 3.565
3 HA FME 1 HA FME 1 -9.361 -4.163 0.909
4 HB2 FME 1 1HB FME 1 -11.640 -4.057 -1.074
5 HB3 FME 1 2HB FME 1 -10.784 -5.542 -0.654
6 HG2 FME 1 1HG FME 1 -8.651 -4.469 -1.363
7 HG3 FME 1 2HG FME 1 -9.552 -3.030 -1.841
8 HE1 FME 1 1HE FME 1 -8.908 -3.061 -4.514
9 HE2 FME 1 2HE FME 1 -8.440 -4.631 -5.164
10 HE3 FME 1 3HE FME 1 -7.730 -4.064 -3.655
11 H ALA 2 H ALA 2 -12.463 -2.451 0.721
12 HA ALA 2 HA ALA 2 -11.514 -0.012 -0.323
13 HB1 ALA 2 1HB ALA 2 -13.855 -0.387 1.560
14 HB2 ALA 2 2HB ALA 2 -13.928 -0.678 -0.178
15 HB3 ALA 2 3HB ALA 2 -13.608 0.947 0.432
16 H GLY 3 H GLY 3 -11.870 -1.162 3.009
17 HA2 GLY 3 2HA GLY 3 -11.236 1.234 4.326
18 HA3 GLY 3 1HA GLY 3 -10.988 -0.377 4.981
19 H LEU 4 H LEU 4 -9.204 -1.400 3.147
20 HA LEU 4 HA LEU 4 -6.748 -0.537 4.133
21 HB2 LEU 4 2HB LEU 4 -7.249 -2.778 3.226
22 HB3 LEU 4 1HB LEU 4 -7.411 -2.095 1.622
23 HG LEU 4 HG LEU 4 -5.188 -3.295 2.359
24 HD11 LEU 4 1HD1 LEU 4 -5.631 -2.092 0.203
25 HD12 LEU 4 2HD1 LEU 4 -3.956 -2.033 0.740
26 HD13 LEU 4 3HD1 LEU 4 -4.996 -0.627 0.949
27 HD21 LEU 4 1HD2 LEU 4 -4.905 -1.858 4.392
28 HD22 LEU 4 2HD2 LEU 4 -4.606 -0.487 3.331
29 HD23 LEU 4 3HD2 LEU 4 -3.510 -1.863 3.322
30 H LEU 5 H LEU 5 -8.325 0.125 1.018
31 HA LEU 5 HA LEU 5 -6.280 1.724 -0.115
32 HB2 LEU 5 2HB LEU 5 -9.280 1.681 -0.517
33 HB3 LEU 5 1HB LEU 5 -8.175 2.618 -1.522
34 HG LEU 5 HG LEU 5 -7.997 -0.381 -1.106
35 HD11 LEU 5 1HD1 LEU 5 -10.027 0.171 -2.358
36 HD12 LEU 5 2HD1 LEU 5 -8.829 -0.526 -3.449
37 HD13 LEU 5 3HD1 LEU 5 -9.102 1.215 -3.439
38 HD21 LEU 5 1HD2 LEU 5 -6.593 0.081 -3.355
39 HD22 LEU 5 2HD2 LEU 5 -5.854 0.189 -1.756
40 HD23 LEU 5 3HD2 LEU 5 -6.375 1.654 -2.583
41 H ARG 6 H ARG 6 -9.141 2.539 1.839
42 HA ARG 6 HA ARG 6 -8.908 5.345 1.768
43 HB2 ARG 6 2HB ARG 6 -10.867 4.074 2.697
44 HB3 ARG 6 1HB ARG 6 -9.883 3.678 4.107
45 HG2 ARG 6 2HG ARG 6 -9.522 6.367 4.077
46 HG3 ARG 6 1HG ARG 6 -11.100 6.291 3.312
47 HD2 ARG 6 2HD ARG 6 -10.399 5.009 5.964
48 HD3 ARG 6 1HD ARG 6 -11.278 6.521 5.765
49 HE ARG 6 HE ARG 6 -12.308 3.838 5.314
50 HH11 ARG 6 1HH1 ARG 6 -14.533 3.744 4.839
51 HH12 ARG 6 2HH1 ARG 6 -15.392 5.202 4.468
52 HH21 ARG 6 1HH2 ARG 6 -12.610 7.242 4.823
53 HH22 ARG 6 2HH2 ARG 6 -14.302 7.186 4.453
54 H PHE 7 H PHE 7 -7.582 2.961 4.033
55 HA PHE 7 HA PHE 7 -6.364 4.737 5.806
56 HB2 PHE 7 2HB PHE 7 -6.690 2.327 6.239
57 HB3 PHE 7 1HB PHE 7 -5.497 1.949 4.996
58 HD1 PHE 7 1HD PHE 7 -3.200 1.890 5.513
59 HD2 PHE 7 2HD PHE 7 -5.939 3.819 8.199
60 HE1 PHE 7 1HE PHE 7 -1.384 2.140 7.182
61 HE2 PHE 7 2HE PHE 7 -4.123 4.072 9.870
62 HZ PHE 7 HZ PHE 7 -1.847 3.232 9.362
63 H LEU 8 H LEU 8 -5.071 3.161 2.867
64 HA LEU 8 HA LEU 8 -2.470 4.242 3.137
65 HB2 LEU 8 2HB LEU 8 -3.971 3.335 0.682
66 HB3 LEU 8 1HB LEU 8 -2.288 3.837 0.647
67 HG LEU 8 HG LEU 8 -3.214 1.686 2.553
68 HD11 LEU 8 1HD1 LEU 8 -2.785 -0.021 0.940
69 HD12 LEU 8 2HD1 LEU 8 -2.084 1.130 -0.201
70 HD13 LEU 8 3HD1 LEU 8 -3.821 1.142 0.111
71 HD21 LEU 8 1HD2 LEU 8 -0.522 1.593 1.283
72 HD22 LEU 8 2HD2 LEU 8 -0.983 1.358 2.960
73 HD23 LEU 8 3HD2 LEU 8 -0.791 2.977 2.322
74 H LEU 9 H LEU 9 -5.357 5.430 1.485
75 HA LEU 9 HA LEU 9 -4.183 7.688 0.272
76 HB2 LEU 9 2HB LEU 9 -6.532 6.566 -0.035
77 HB3 LEU 9 1HB LEU 9 -7.016 7.681 1.240
78 HG LEU 9 HG LEU 9 -5.618 8.510 -1.316
79 HD11 LEU 9 1HD1 LEU 9 -7.919 7.563 -1.660
80 HD12 LEU 9 2HD1 LEU 9 -7.784 9.264 -2.104
81 HD13 LEU 9 3HD1 LEU 9 -8.543 8.806 -0.579
82 HD21 LEU 9 1HD2 LEU 9 -6.807 10.746 -0.429
83 HD22 LEU 9 2HD2 LEU 9 -5.203 10.269 0.117
84 HD23 LEU 9 3HD2 LEU 9 -6.609 9.933 1.125
85 H SER 10 H SER 10 -5.783 7.291 3.425
86 HA SER 10 HA SER 10 -5.670 9.985 4.211
87 HB2 SER 10 2HB SER 10 -6.988 8.273 5.412
88 HB3 SER 10 1HB SER 10 -5.493 7.517 5.956
89 HG SER 10 HG SER 10 -5.211 9.074 7.359
90 H LYS 11 H LYS 11 -3.288 7.338 4.585
91 HA LYS 11 HA LYS 11 -1.464 8.926 6.114
92 HB2 LYS 11 2HB LYS 11 -1.004 6.373 4.534
93 HB3 LYS 11 1HB LYS 11 0.168 7.102 5.630
94 HG2 LYS 11 2HG LYS 11 -2.622 6.273 6.480
95 HG3 LYS 11 1HG LYS 11 -1.200 5.249 6.672
96 HD2 LYS 11 2HD LYS 11 -0.184 7.337 7.894
97 HD3 LYS 11 1HD LYS 11 -1.868 7.843 8.055
98 HE2 LYS 11 2HE LYS 11 -2.413 5.705 9.147
99 HE3 LYS 11 1HE LYS 11 -0.731 5.197 8.997
100 HZ1 LYS 11 1HZ LYS 11 -0.027 6.834 10.483
101 HZ2 LYS 11 2HZ LYS 11 -1.448 6.228 11.189
102 HZ3 LYS 11 3HZ LYS 11 -1.473 7.713 10.361
103 H GLY 12 H GLY 12 -1.659 8.132 2.656
104 HA2 GLY 12 2HA GLY 12 -0.349 10.576 1.940
105 HA3 GLY 12 1HA GLY 12 0.692 9.176 1.704
106 H ARG 13 H ARG 13 -0.131 10.795 -0.413
107 HA ARG 13 HA ARG 13 -2.340 9.512 -1.800
108 HB2 ARG 13 2HB ARG 13 -0.390 11.680 -2.577
109 HB3 ARG 13 1HB ARG 13 -1.649 11.074 -3.656
110 HG2 ARG 13 2HG ARG 13 -3.368 11.688 -2.002
111 HG3 ARG 13 1HG ARG 13 -2.112 12.284 -0.913
112 HD2 ARG 13 2HD ARG 13 -1.414 13.931 -2.610
113 HD3 ARG 13 1HD ARG 13 -2.664 13.343 -3.702
114 HE ARG 13 HE ARG 13 -3.956 14.056 -1.342
115 HH11 ARG 13 1HH1 ARG 13 -4.917 16.097 -1.122
116 HH12 ARG 13 2HH1 ARG 13 -4.384 17.418 -2.108
117 HH21 ARG 13 1HH2 ARG 13 -2.015 15.544 -3.810
118 HH22 ARG 13 2HH2 ARG 13 -2.749 17.103 -3.629
119 H ALA 14 H ALA 14 1.154 9.498 -1.798
120 HA ALA 14 HA ALA 14 1.618 8.225 -4.260
121 HB1 ALA 14 1HB ALA 14 3.135 8.557 -1.710
122 HB2 ALA 14 2HB ALA 14 3.563 9.057 -3.344
123 HB3 ALA 14 3HB ALA 14 3.722 7.367 -2.871
124 H LEU 15 H LEU 15 1.080 6.885 -1.001
125 HA LEU 15 HA LEU 15 1.477 4.182 -1.641
126 HB2 LEU 15 2HB LEU 15 -0.497 5.266 0.384
127 HB3 LEU 15 1HB LEU 15 0.322 3.707 0.414
128 HG LEU 15 HG LEU 15 1.800 6.356 0.497
129 HD11 LEU 15 1HD1 LEU 15 2.119 5.710 2.950
130 HD12 LEU 15 2HD1 LEU 15 0.748 4.618 2.724
131 HD13 LEU 15 3HD1 LEU 15 0.542 6.357 2.490
132 HD21 LEU 15 1HD2 LEU 15 2.554 3.453 0.805
133 HD22 LEU 15 2HD2 LEU 15 3.509 4.729 1.550
134 HD23 LEU 15 3HD2 LEU 15 3.304 4.704 -0.195
135 H TYR 16 H TYR 16 -1.448 6.198 -1.689
136 HA TYR 16 HA TYR 16 -3.303 4.183 -2.347
137 HB2 TYR 16 2HB TYR 16 -4.021 6.345 -1.546
138 HB3 TYR 16 1HB TYR 16 -3.308 7.150 -2.933
139 HD1 TYR 16 1HD TYR 16 -4.690 7.682 -4.720
140 HD2 TYR 16 2HD TYR 16 -5.783 4.425 -2.142
141 HE1 TYR 16 1HE TYR 16 -6.819 7.420 -5.954
142 HE2 TYR 16 2HE TYR 16 -7.909 4.152 -3.388
143 HH TYR 16 HH TYR 16 -8.694 4.712 -5.812
144 H ASN 17 H ASN 17 -1.395 6.373 -4.399
145 HA ASN 17 HA ASN 17 -2.476 5.536 -6.869
146 HB2 ASN 17 2HB ASN 17 0.145 6.788 -6.069
147 HB3 ASN 17 1HB ASN 17 -0.180 6.344 -7.743
148 HD21 ASN 17 1HD2 ASN 17 0.157 9.066 -6.820
149 HD22 ASN 17 2HD2 ASN 17 -1.315 9.872 -7.069
150 H TRP 18 H TRP 18 0.310 4.375 -5.000
151 HA TRP 18 HA TRP 18 1.268 2.484 -6.838
152 HB2 TRP 18 2HB TRP 18 2.605 3.097 -4.932
153 HB3 TRP 18 1HB TRP 18 1.355 2.540 -3.820
154 HD1 TRP 18 HD TRP 18 1.309 0.033 -3.202
155 HE1 TRP 18 1HE TRP 18 2.723 -2.016 -3.861
156 HE3 TRP 18 3HE TRP 18 4.023 2.031 -7.047
157 HZ2 TRP 18 2HZ TRP 18 4.738 -2.712 -5.760
158 HZ3 TRP 18 3HZ TRP 18 5.683 0.643 -8.261
159 HH2 TRP 18 HH TRP 18 6.044 -1.725 -7.625
160 H ALA 19 H ALA 19 -1.097 2.144 -4.205
161 HA ALA 19 HA ALA 19 -1.555 -0.618 -4.485
162 HB1 ALA 19 1HB ALA 19 -2.391 0.332 -2.511
163 HB2 ALA 19 2HB ALA 19 -3.851 0.022 -3.448
164 HB3 ALA 19 3HB ALA 19 -3.180 1.653 -3.370
165 H LYS 20 H LYS 20 -3.118 2.172 -6.017
166 HA LYS 20 HA LYS 20 -5.125 0.732 -7.401
167 HB2 LYS 20 2HB LYS 20 -5.128 3.196 -7.050
168 HB3 LYS 20 1HB LYS 20 -3.795 3.327 -8.194
169 HG2 LYS 20 2HG LYS 20 -5.191 2.323 -9.957
170 HG3 LYS 20 1HG LYS 20 -6.527 2.174 -8.817
171 HD2 LYS 20 2HD LYS 20 -6.555 4.627 -8.521
172 HD3 LYS 20 1HD LYS 20 -5.216 4.777 -9.661
173 HE2 LYS 20 2HE LYS 20 -7.332 5.208 -10.814
174 HE3 LYS 20 1HE LYS 20 -6.620 3.712 -11.412
175 HZ1 LYS 20 1HZ LYS 20 -8.332 3.341 -9.136
176 HZ2 LYS 20 2HZ LYS 20 -8.301 2.512 -10.618
177 HZ3 LYS 20 3HZ LYS 20 -9.143 3.981 -10.481
178 H SER 21 H SER 21 -1.866 1.781 -8.324
179 HA SER 21 HA SER 21 -1.928 0.910 -10.986
180 HB2 SER 21 2HB SER 21 0.437 1.133 -9.115
181 HB3 SER 21 1HB SER 21 0.534 0.980 -10.868
182 HG SER 21 HG SER 21 -1.172 2.908 -10.395
183 H HIS 22 H HIS 22 -0.938 -0.803 -8.029
184 HA HIS 22 HA HIS 22 -1.012 -3.334 -9.577
185 HB2 HIS 22 2HB HIS 22 0.902 -2.658 -7.328
186 HB3 HIS 22 1HB HIS 22 0.859 -4.150 -8.262
187 HD1 HIS 22 1HD HIS 22 1.298 -3.840 -10.927
188 HD2 HIS 22 2HD HIS 22 2.479 -0.676 -8.481
189 HE1 HIS 22 1HE HIS 22 2.899 -2.433 -12.296
190 HE2 HIS 22 2HE HIS 22 3.628 -0.499 -10.821
191 H VAL 23 H VAL 23 -3.120 -3.728 -8.894
192 HA VAL 23 HA VAL 23 -3.953 -3.675 -6.181
193 HB VAL 23 HB VAL 23 -5.870 -5.016 -6.977
194 HG11 VAL 23 1HG1 VAL 23 -6.517 -3.442 -8.903
195 HG12 VAL 23 2HG1 VAL 23 -4.925 -2.715 -8.690
196 HG13 VAL 23 3HG1 VAL 23 -6.095 -2.681 -7.368
197 HG21 VAL 23 1HG2 VAL 23 -5.839 -5.454 -9.549
198 HG22 VAL 23 2HG2 VAL 23 -4.978 -6.585 -8.501
199 HG23 VAL 23 3HG2 VAL 23 -4.086 -5.346 -9.387
200 H GLY 24 H GLY 24 -2.190 -5.902 -8.140
201 HA2 GLY 24 2HA GLY 24 -2.621 -8.283 -6.705
202 HA3 GLY 24 1HA GLY 24 -1.209 -7.930 -7.689
203 H LYS 25 H LYS 25 -0.219 -5.674 -6.277
204 HA LYS 25 HA LYS 25 1.291 -6.913 -4.247
205 HB2 LYS 25 2HB LYS 25 0.704 -3.963 -4.661
206 HB3 LYS 25 1HB LYS 25 1.984 -4.608 -3.637
207 HG2 LYS 25 2HG LYS 25 1.812 -5.350 -6.555
208 HG3 LYS 25 1HG LYS 25 2.608 -3.861 -6.047
209 HD2 LYS 25 2HD LYS 25 4.120 -5.185 -4.588
210 HD3 LYS 25 1HD LYS 25 3.348 -6.671 -5.137
211 HE2 LYS 25 2HE LYS 25 3.992 -6.163 -7.459
212 HE3 LYS 25 1HE LYS 25 4.778 -4.683 -6.916
213 HZ1 LYS 25 1HZ LYS 25 6.013 -7.042 -7.143
214 HZ2 LYS 25 2HZ LYS 25 5.558 -7.085 -5.506
215 HZ3 LYS 25 3HZ LYS 25 6.516 -5.811 -6.091
216 H VAL 26 H VAL 26 -1.614 -4.907 -4.124
217 HA VAL 26 HA VAL 26 -1.832 -4.663 -1.337
218 HB VAL 26 HB VAL 26 -3.926 -4.658 -3.493
219 HG11 VAL 26 1HG1 VAL 26 -5.085 -5.292 -1.501
220 HG12 VAL 26 2HG1 VAL 26 -5.324 -3.550 -1.651
221 HG13 VAL 26 3HG1 VAL 26 -4.136 -4.184 -0.509
222 HG21 VAL 26 1HG2 VAL 26 -3.775 -2.294 -3.340
223 HG22 VAL 26 2HG2 VAL 26 -2.101 -2.845 -3.295
224 HG23 VAL 26 3HG2 VAL 26 -2.914 -2.369 -1.804
225 H TRP 27 H TRP 27 -3.167 -7.023 -3.582
226 HA TRP 27 HA TRP 27 -4.568 -8.557 -1.671
227 HB2 TRP 27 2HB TRP 27 -3.444 -9.212 -4.387
228 HB3 TRP 27 1HB TRP 27 -4.307 -10.405 -3.420
229 HD1 TRP 27 HD TRP 27 -4.944 -7.952 -5.991
230 HE1 TRP 27 1HE TRP 27 -7.423 -7.243 -6.038
231 HE3 TRP 27 3HE TRP 27 -6.475 -9.791 -1.475
232 HZ2 TRP 27 2HZ TRP 27 -9.745 -7.431 -4.373
233 HZ3 TRP 27 3HZ TRP 27 -8.817 -9.505 -0.730
234 HH2 TRP 27 HH TRP 27 -10.455 -8.330 -2.174
235 H GLU 28 H GLU 28 -1.297 -8.848 -2.980
236 HA GLU 28 HA GLU 28 -0.555 -11.229 -1.764
237 HB2 GLU 28 2HB GLU 28 0.763 -10.085 -3.534
238 HB3 GLU 28 1HB GLU 28 1.229 -8.854 -2.366
239 HG2 GLU 28 2HG GLU 28 2.315 -10.532 -0.972
240 HG3 GLU 28 1HG GLU 28 1.780 -11.818 -2.048
241 H TRP 29 H TRP 29 -0.211 -7.860 -0.527
242 HA TRP 29 HA TRP 29 1.066 -8.729 1.871
243 HB2 TRP 29 2HB TRP 29 -0.611 -6.246 1.812
244 HB3 TRP 29 1HB TRP 29 0.844 -6.576 2.720
245 HD1 TRP 29 HD TRP 29 -0.135 -4.449 0.121
246 HE1 TRP 29 1HE TRP 29 1.753 -3.898 -1.536
247 HE3 TRP 29 3HE TRP 29 3.179 -8.128 1.322
248 HZ2 TRP 29 2HZ TRP 29 4.346 -4.863 -2.234
249 HZ3 TRP 29 3HZ TRP 29 5.347 -8.268 0.166
250 HH2 TRP 29 HH TRP 29 5.946 -6.654 -1.604
251 H LEU 30 H LEU 30 -2.341 -8.188 1.030
252 HA LEU 30 HA LEU 30 -3.368 -8.466 3.656
253 HB2 LEU 30 2HB LEU 30 -4.566 -8.867 0.924
254 HB3 LEU 30 1HB LEU 30 -5.499 -9.224 2.379
255 HG LEU 30 HG LEU 30 -4.114 -6.570 1.872
256 HD11 LEU 30 1HD1 LEU 30 -6.571 -5.811 1.569
257 HD12 LEU 30 2HD1 LEU 30 -6.911 -7.512 1.249
258 HD13 LEU 30 3HD1 LEU 30 -5.787 -6.627 0.217
259 HD21 LEU 30 1HD2 LEU 30 -5.793 -7.719 4.070
260 HD22 LEU 30 2HD2 LEU 30 -6.089 -6.033 3.649
261 HD23 LEU 30 3HD2 LEU 30 -4.482 -6.544 4.152
262 H LYS 31 H LYS 31 -2.747 -10.883 1.132
263 HA LYS 31 HA LYS 31 -3.791 -13.105 2.508
264 HB2 LYS 31 2HB LYS 31 -3.180 -13.094 0.087
265 HB3 LYS 31 1HB LYS 31 -1.476 -13.062 0.554
266 HG2 LYS 31 2HG LYS 31 -1.713 -15.195 1.712
267 HG3 LYS 31 1HG LYS 31 -3.446 -15.220 1.378
268 HD2 LYS 31 2HD LYS 31 -2.976 -15.235 -1.046
269 HD3 LYS 31 1HD LYS 31 -1.247 -15.239 -0.709
270 HE2 LYS 31 2HE LYS 31 -3.221 -17.393 0.111
271 HE3 LYS 31 1HE LYS 31 -2.029 -17.515 -1.182
272 HZ1 LYS 31 1HZ LYS 31 -1.511 -17.239 1.725
273 HZ2 LYS 31 2HZ LYS 31 -0.302 -17.069 0.543
274 HZ3 LYS 31 3HZ LYS 31 -1.115 -18.548 0.722
275 H SER 32 H SER 32 -0.552 -11.650 2.440
276 HA SER 32 HA SER 32 0.735 -13.564 4.044
277 HB2 SER 32 2HB SER 32 1.949 -11.889 2.725
278 HB3 SER 32 1HB SER 32 1.306 -10.606 3.744
279 HG SER 32 HG SER 32 2.552 -12.717 5.047
280 H GLY 33 H GLY 33 -1.000 -10.591 4.856
281 HA2 GLY 33 2HA GLY 33 -2.313 -10.361 6.827
282 HA3 GLY 33 1HA GLY 33 -1.306 -11.571 7.611
283 H ALA 34 H ALA 34 0.589 -9.434 5.846
284 HA ALA 34 HA ALA 34 2.054 -8.413 7.963
285 HB1 ALA 34 1HB ALA 34 1.535 -7.426 5.175
286 HB2 ALA 34 2HB ALA 34 3.012 -8.111 5.844
287 HB3 ALA 34 3HB ALA 34 2.521 -6.475 6.282
288 H THR 35 H THR 35 2.213 -5.834 8.168
289 HA THR 35 HA THR 35 -0.433 -4.970 9.170
290 HB THR 35 HB THR 35 0.790 -3.411 10.567
291 HG1 THR 35 1HG THR 35 3.146 -3.592 10.475
292 HG21 THR 35 1HG2 THR 35 2.309 -6.011 10.719
293 HG22 THR 35 2HG2 THR 35 0.598 -5.919 11.136
294 HG23 THR 35 3HG2 THR 35 1.776 -4.974 12.043
295 H TYR 36 H TYR 36 -1.217 -2.921 8.687
296 HA TYR 36 HA TYR 36 -0.882 -2.032 6.057
297 HB2 TYR 36 2HB TYR 36 -1.939 -0.426 8.388
298 HB3 TYR 36 1HB TYR 36 -2.278 -0.161 6.677
299 HD1 TYR 36 1HD TYR 36 -3.014 -2.574 5.466
300 HD2 TYR 36 2HD TYR 36 -3.677 -1.416 9.551
301 HE1 TYR 36 1HE TYR 36 -4.898 -4.176 5.606
302 HE2 TYR 36 2HE TYR 36 -5.565 -3.019 9.693
303 HH TYR 36 HH TYR 36 -7.219 -4.080 7.793
304 H GLU 37 H GLU 37 0.514 -0.777 9.069
305 HA GLU 37 HA GLU 37 1.793 1.455 7.924
306 HB2 GLU 37 2HB GLU 37 3.369 1.157 9.959
307 HB3 GLU 37 1HB GLU 37 1.667 1.530 10.245
308 HG2 GLU 37 2HG GLU 37 1.170 -0.812 10.683
309 HG3 GLU 37 1HG GLU 37 2.810 -1.281 10.245
310 H GLN 38 H GLN 38 3.042 -1.816 8.599
311 HA GLN 38 HA GLN 38 5.643 -1.389 7.651
312 HB2 GLN 38 2HB GLN 38 5.026 -3.330 8.966
313 HB3 GLN 38 1HB GLN 38 3.975 -3.902 7.675
314 HG2 GLN 38 2HG GLN 38 5.860 -4.182 6.183
315 HG3 GLN 38 1HG GLN 38 6.945 -3.442 7.358
316 HE21 GLN 38 1HE2 GLN 38 5.356 -6.422 6.458
317 HE22 GLN 38 2HE2 GLN 38 5.998 -7.362 7.717
318 H ILE 39 H ILE 39 2.716 -2.440 5.956
319 HA ILE 39 HA ILE 39 3.960 -2.990 3.487
320 HB ILE 39 HB ILE 39 1.104 -2.173 4.116
321 HG12 ILE 39 2HG1 ILE 39 2.191 -4.904 3.426
322 HG13 ILE 39 1HG1 ILE 39 2.245 -4.321 5.082
323 HG21 ILE 39 1HG2 ILE 39 1.660 -1.802 1.721
324 HG22 ILE 39 2HG2 ILE 39 0.620 -3.210 1.902
325 HG23 ILE 39 3HG2 ILE 39 2.351 -3.425 1.628
326 HD11 ILE 39 1HD1 ILE 39 0.199 -5.599 4.769
327 HD12 ILE 39 2HD1 ILE 39 -0.238 -4.620 3.373
328 HD13 ILE 39 3HD1 ILE 39 -0.208 -3.904 4.976
329 H LYS 40 H LYS 40 2.410 0.075 4.716
330 HA LYS 40 HA LYS 40 2.963 1.348 2.209
331 HB2 LYS 40 2HB LYS 40 2.756 3.557 3.339
332 HB3 LYS 40 1HB LYS 40 1.316 2.513 3.452
333 HG2 LYS 40 2HG LYS 40 1.813 1.925 5.709
334 HG3 LYS 40 1HG LYS 40 3.421 2.654 5.622
335 HD2 LYS 40 2HD LYS 40 2.395 4.876 5.293
336 HD3 LYS 40 1HD LYS 40 0.790 4.152 5.374
337 HE2 LYS 40 2HE LYS 40 2.725 3.719 7.633
338 HE3 LYS 40 1HE LYS 40 1.831 5.234 7.532
339 HZ1 LYS 40 1HZ LYS 40 0.744 3.409 8.846
340 HZ2 LYS 40 2HZ LYS 40 0.509 2.587 7.378
341 HZ3 LYS 40 3HZ LYS 40 -0.213 4.105 7.631
342 H GLU 41 H GLU 41 4.797 0.944 5.186
343 HA GLU 41 HA GLU 41 6.806 2.799 4.751
344 HB2 GLU 41 2HB GLU 41 6.551 1.438 6.812
345 HB3 GLU 41 1HB GLU 41 7.103 0.023 5.918
346 HG2 GLU 41 2HG GLU 41 9.010 0.921 7.082
347 HG3 GLU 41 1HG GLU 41 9.220 1.291 5.375
348 H TRP 42 H TRP 42 6.567 -0.608 3.646
349 HA TRP 42 HA TRP 42 9.002 -0.668 2.228
350 HB2 TRP 42 2HB TRP 42 6.411 -2.107 1.654
351 HB3 TRP 42 1HB TRP 42 7.937 -2.472 0.866
352 HD1 TRP 42 HD TRP 42 9.696 -2.257 3.670
353 HE1 TRP 42 1HE TRP 42 9.518 -4.242 5.298
354 HE3 TRP 42 3HE TRP 42 5.329 -4.348 2.044
355 HZ2 TRP 42 2HZ TRP 42 7.763 -6.425 5.842
356 HZ3 TRP 42 3HZ TRP 42 4.423 -6.384 3.129
357 HH2 TRP 42 HH TRP 42 5.642 -7.423 5.028
358 H ILE 43 H ILE 43 5.723 0.180 1.236
359 HA ILE 43 HA ILE 43 6.306 0.553 -1.505
360 HB ILE 43 HB ILE 43 4.111 1.692 0.229
361 HG12 ILE 43 2HG1 ILE 43 3.962 -0.421 -1.925
362 HG13 ILE 43 1HG1 ILE 43 4.257 -0.822 -0.236
363 HG21 ILE 43 1HG2 ILE 43 4.299 3.219 -1.607
364 HG22 ILE 43 2HG2 ILE 43 2.982 2.120 -2.014
365 HG23 ILE 43 3HG2 ILE 43 4.570 1.909 -2.756
366 HD11 ILE 43 1HD1 ILE 43 1.807 -0.886 -1.032
367 HD12 ILE 43 2HD1 ILE 43 1.902 0.869 -1.083
368 HD13 ILE 43 3HD1 ILE 43 2.141 0.021 0.440
369 H GLU 44 H GLU 44 6.239 2.951 1.141
370 HA GLU 44 HA GLU 44 6.779 5.078 -0.613
371 HB2 GLU 44 2HB GLU 44 7.024 6.485 1.322
372 HB3 GLU 44 1HB GLU 44 5.653 5.406 1.562
373 HG2 GLU 44 2HG GLU 44 6.535 4.658 3.491
374 HG3 GLU 44 1HG GLU 44 7.959 4.098 2.639
375 H ASN 45 H ASN 45 8.905 2.891 1.230
376 HA ASN 45 HA ASN 45 11.284 4.364 0.746
377 HB2 ASN 45 2HB ASN 45 11.181 2.528 2.370
378 HB3 ASN 45 1HB ASN 45 10.892 1.377 1.065
379 HD21 ASN 45 1HD2 ASN 45 13.210 1.332 2.866
380 HD22 ASN 45 2HD2 ASN 45 14.584 1.580 1.902
381 H ALA 46 H ALA 46 9.590 1.847 -1.148
382 HA ALA 46 HA ALA 46 11.546 1.651 -3.197
383 HB1 ALA 46 1HB ALA 46 9.878 0.471 -4.445
384 HB2 ALA 46 2HB ALA 46 8.581 1.184 -3.486
385 HB3 ALA 46 3HB ALA 46 9.682 0.022 -2.751
386 H LEU 47 H LEU 47 8.637 3.631 -2.827
387 HA LEU 47 HA LEU 47 8.574 4.848 -5.324
388 HB2 LEU 47 2HB LEU 47 6.971 4.949 -3.208
389 HB3 LEU 47 1HB LEU 47 7.906 6.390 -2.839
390 HG LEU 47 HG LEU 47 6.021 7.145 -4.080
391 HD11 LEU 47 1HD1 LEU 47 7.000 8.217 -5.953
392 HD12 LEU 47 2HD1 LEU 47 8.158 6.912 -6.201
393 HD13 LEU 47 3HD1 LEU 47 8.317 7.985 -4.807
394 HD21 LEU 47 1HD2 LEU 47 6.617 5.306 -6.390
395 HD22 LEU 47 2HD2 LEU 47 5.118 6.126 -5.982
396 HD23 LEU 47 3HD2 LEU 47 5.639 4.737 -5.040
397 H GLY 48 H GLY 48 10.318 5.852 -2.333
398 HA2 GLY 48 2HA GLY 48 11.368 8.253 -3.395
399 HA3 GLY 48 1HA GLY 48 12.027 7.358 -2.029
400 H TRP 49 H TRP 49 12.592 4.935 -3.308
401 HA TRP 49 HA TRP 49 14.268 5.492 -5.616
402 HB2 TRP 49 2HB TRP 49 16.301 4.498 -4.471
403 HB3 TRP 49 1HB TRP 49 15.858 6.127 -3.966
404 HD1 TRP 49 HD TRP 49 16.069 2.555 -2.737
405 HE1 TRP 49 1HE TRP 49 15.605 2.502 -0.198
406 HE3 TRP 49 3HE TRP 49 14.545 7.372 -2.028
407 HZ2 TRP 49 2HZ TRP 49 14.710 4.280 1.861
408 HZ3 TRP 49 3HZ TRP 49 13.899 8.171 0.226
409 HH2 TRP 49 HH TRP 49 13.979 6.633 2.170
410 H ARG 50 H ARG 50 15.098 3.568 -6.623
411 HA ARG 50 HA ARG 50 14.539 0.960 -5.613
412 HB2 ARG 50 2HB ARG 50 12.218 1.671 -6.119
413 HB3 ARG 50 1HB ARG 50 12.685 1.955 -7.796
414 HG2 ARG 50 2HG ARG 50 13.323 -0.404 -8.035
415 HG3 ARG 50 1HG ARG 50 12.906 -0.701 -6.348
416 HD2 ARG 50 2HD ARG 50 11.050 -1.411 -7.751
417 HD3 ARG 50 1HD ARG 50 10.565 0.015 -6.841
418 HE ARG 50 HE ARG 50 10.528 1.239 -8.841
419 HH11 ARG 50 1HH1 ARG 50 10.492 1.339 -11.111
420 HH12 ARG 50 2HH1 ARG 50 11.047 -0.012 -12.040
421 HH21 ARG 50 1HH2 ARG 50 11.832 -1.941 -9.269
422 HH22 ARG 50 2HH2 ARG 50 11.802 -1.867 -10.999
Start of MODEL 16
1 H FME 1 H FME 1 -12.858 -4.426 1.297
2 HCN FME 1 HF FME 1 -12.606 -4.516 3.613
3 HA FME 1 HA FME 1 -10.035 -3.851 1.081
4 HB2 FME 1 1HB FME 1 -12.189 -3.674 -1.046
5 HB3 FME 1 2HB FME 1 -11.284 -5.138 -0.652
6 HG2 FME 1 1HG FME 1 -9.166 -3.869 -1.146
7 HG3 FME 1 2HG FME 1 -10.159 -2.526 -1.711
8 HE1 FME 1 1HE FME 1 -7.888 -4.615 -3.108
9 HE2 FME 1 2HE FME 1 -8.369 -3.057 -3.774
10 HE3 FME 1 3HE FME 1 -8.470 -4.503 -4.775
11 H ALA 2 H ALA 2 -13.033 -2.021 0.973
12 HA ALA 2 HA ALA 2 -11.986 0.394 -0.050
13 HB1 ALA 2 1HB ALA 2 -14.018 1.381 0.615
14 HB2 ALA 2 2HB ALA 2 -14.219 0.262 1.964
15 HB3 ALA 2 3HB ALA 2 -14.444 -0.304 0.308
16 H GLY 3 H GLY 3 -12.237 -0.849 3.266
17 HA2 GLY 3 2HA GLY 3 -11.408 1.484 4.630
18 HA3 GLY 3 1HA GLY 3 -11.251 -0.166 5.233
19 H LEU 4 H LEU 4 -9.619 -1.229 3.271
20 HA LEU 4 HA LEU 4 -7.043 -0.564 4.165
21 HB2 LEU 4 2HB LEU 4 -7.791 -2.718 3.174
22 HB3 LEU 4 1HB LEU 4 -7.954 -1.935 1.625
23 HG LEU 4 HG LEU 4 -5.810 -3.360 2.251
24 HD11 LEU 4 1HD1 LEU 4 -5.871 -2.568 0.088
25 HD12 LEU 4 2HD1 LEU 4 -4.485 -1.683 0.722
26 HD13 LEU 4 3HD1 LEU 4 -6.055 -0.887 0.584
27 HD21 LEU 4 1HD2 LEU 4 -3.952 -2.028 3.038
28 HD22 LEU 4 2HD2 LEU 4 -5.247 -1.976 4.230
29 HD23 LEU 4 3HD2 LEU 4 -4.974 -0.606 3.170
30 H LEU 5 H LEU 5 -8.797 0.316 1.179
31 HA LEU 5 HA LEU 5 -6.708 1.809 -0.003
32 HB2 LEU 5 2HB LEU 5 -9.705 1.956 -0.308
33 HB3 LEU 5 1HB LEU 5 -8.575 2.852 -1.318
34 HG LEU 5 HG LEU 5 -8.544 -0.165 -1.005
35 HD11 LEU 5 1HD1 LEU 5 -9.592 1.459 -3.345
36 HD12 LEU 5 2HD1 LEU 5 -10.637 0.775 -2.100
37 HD13 LEU 5 3HD1 LEU 5 -9.682 -0.289 -3.135
38 HD21 LEU 5 1HD2 LEU 5 -7.289 0.298 -3.331
39 HD22 LEU 5 2HD2 LEU 5 -6.427 0.327 -1.795
40 HD23 LEU 5 3HD2 LEU 5 -6.932 1.839 -2.549
41 H ARG 6 H ARG 6 -9.409 2.755 2.099
42 HA ARG 6 HA ARG 6 -9.010 5.524 2.031
43 HB2 ARG 6 2HB ARG 6 -10.997 4.401 3.012
44 HB3 ARG 6 1HB ARG 6 -9.999 3.865 4.365
45 HG2 ARG 6 2HG ARG 6 -9.828 6.788 3.791
46 HG3 ARG 6 1HG ARG 6 -11.414 6.240 4.330
47 HD2 ARG 6 2HD ARG 6 -10.393 5.199 6.313
48 HD3 ARG 6 1HD ARG 6 -8.796 5.710 5.768
49 HE ARG 6 HE ARG 6 -9.337 7.928 6.364
50 HH11 ARG 6 1HH1 ARG 6 -10.585 9.379 7.597
51 HH12 ARG 6 2HH1 ARG 6 -12.158 8.908 8.146
52 HH21 ARG 6 1HH2 ARG 6 -12.021 5.770 6.682
53 HH22 ARG 6 2HH2 ARG 6 -12.968 6.863 7.631
54 H PHE 7 H PHE 7 -7.659 3.040 4.177
55 HA PHE 7 HA PHE 7 -6.234 4.722 5.904
56 HB2 PHE 7 2HB PHE 7 -6.706 2.280 6.233
57 HB3 PHE 7 1HB PHE 7 -5.484 1.924 5.017
58 HD1 PHE 7 1HD PHE 7 -3.178 1.885 5.576
59 HD2 PHE 7 2HD PHE 7 -6.030 3.589 8.313
60 HE1 PHE 7 1HE PHE 7 -1.418 2.038 7.315
61 HE2 PHE 7 2HE PHE 7 -4.262 3.749 10.043
62 HZ PHE 7 HZ PHE 7 -1.960 2.976 9.548
63 H LEU 8 H LEU 8 -5.250 3.109 2.868
64 HA LEU 8 HA LEU 8 -2.547 3.977 2.942
65 HB2 LEU 8 2HB LEU 8 -4.368 3.063 0.736
66 HB3 LEU 8 1HB LEU 8 -2.748 3.653 0.366
67 HG LEU 8 HG LEU 8 -3.091 1.592 2.541
68 HD11 LEU 8 1HD1 LEU 8 -4.325 0.655 0.660
69 HD12 LEU 8 2HD1 LEU 8 -2.752 -0.141 0.743
70 HD13 LEU 8 3HD1 LEU 8 -3.038 1.121 -0.453
71 HD21 LEU 8 1HD2 LEU 8 -0.920 1.911 0.447
72 HD22 LEU 8 2HD2 LEU 8 -0.835 1.005 1.957
73 HD23 LEU 8 3HD2 LEU 8 -0.877 2.764 1.987
74 H LEU 9 H LEU 9 -5.439 5.427 1.558
75 HA LEU 9 HA LEU 9 -4.180 7.609 0.290
76 HB2 LEU 9 2HB LEU 9 -6.503 6.865 -0.105
77 HB3 LEU 9 1HB LEU 9 -6.949 7.485 1.479
78 HG LEU 9 HG LEU 9 -6.180 9.745 0.794
79 HD11 LEU 9 1HD1 LEU 9 -5.994 9.884 -1.866
80 HD12 LEU 9 2HD1 LEU 9 -5.435 8.222 -1.678
81 HD13 LEU 9 3HD1 LEU 9 -4.580 9.537 -0.871
82 HD21 LEU 9 1HD2 LEU 9 -8.037 10.165 -0.837
83 HD22 LEU 9 2HD2 LEU 9 -8.542 9.172 0.529
84 HD23 LEU 9 3HD2 LEU 9 -8.215 8.420 -1.031
85 H SER 10 H SER 10 -5.635 7.283 3.516
86 HA SER 10 HA SER 10 -5.309 9.939 4.371
87 HB2 SER 10 2HB SER 10 -6.698 8.533 5.694
88 HB3 SER 10 1HB SER 10 -5.435 7.314 5.862
89 HG SER 10 HG SER 10 -5.087 8.374 7.668
90 H LYS 11 H LYS 11 -3.123 7.144 4.503
91 HA LYS 11 HA LYS 11 -1.103 8.535 5.988
92 HB2 LYS 11 2HB LYS 11 -0.938 6.033 4.294
93 HB3 LYS 11 1HB LYS 11 0.356 6.632 5.326
94 HG2 LYS 11 2HG LYS 11 -2.418 5.934 6.346
95 HG3 LYS 11 1HG LYS 11 -1.046 4.830 6.391
96 HD2 LYS 11 2HD LYS 11 0.182 6.772 7.620
97 HD3 LYS 11 1HD LYS 11 -1.442 7.400 7.912
98 HE2 LYS 11 2HE LYS 11 -2.108 5.356 9.015
99 HE3 LYS 11 1HE LYS 11 -0.570 4.589 8.619
100 HZ1 LYS 11 1HZ LYS 11 -1.065 6.836 10.476
101 HZ2 LYS 11 2HZ LYS 11 0.488 6.464 9.898
102 HZ3 LYS 11 3HZ LYS 11 -0.374 5.326 10.819
103 H GLY 12 H GLY 12 -1.510 7.871 2.521
104 HA2 GLY 12 2HA GLY 12 -0.040 10.225 1.815
105 HA3 GLY 12 1HA GLY 12 0.903 8.767 1.532
106 H ARG 13 H ARG 13 -0.148 10.712 -0.408
107 HA ARG 13 HA ARG 13 -2.331 9.485 -1.823
108 HB2 ARG 13 2HB ARG 13 -0.364 11.660 -2.561
109 HB3 ARG 13 1HB ARG 13 -1.636 11.092 -3.644
110 HG2 ARG 13 2HG ARG 13 -3.345 11.680 -2.002
111 HG3 ARG 13 1HG ARG 13 -2.103 12.180 -0.856
112 HD2 ARG 13 2HD ARG 13 -1.373 13.954 -2.416
113 HD3 ARG 13 1HD ARG 13 -2.607 13.448 -3.568
114 HE ARG 13 HE ARG 13 -3.908 13.966 -1.149
115 HH11 ARG 13 1HH1 ARG 13 -4.977 15.939 -0.851
116 HH12 ARG 13 2HH1 ARG 13 -4.510 17.326 -1.776
117 HH21 ARG 13 1HH2 ARG 13 -2.011 15.647 -3.521
118 HH22 ARG 13 2HH2 ARG 13 -2.816 17.164 -3.290
119 H ALA 14 H ALA 14 1.149 9.484 -1.906
120 HA ALA 14 HA ALA 14 1.546 8.231 -4.382
121 HB1 ALA 14 1HB ALA 14 3.146 8.608 -1.885
122 HB2 ALA 14 2HB ALA 14 3.505 9.142 -3.524
123 HB3 ALA 14 3HB ALA 14 3.731 7.450 -3.085
124 H LEU 15 H LEU 15 1.056 6.984 -1.116
125 HA LEU 15 HA LEU 15 1.546 4.263 -1.615
126 HB2 LEU 15 2HB LEU 15 -0.454 5.395 0.348
127 HB3 LEU 15 1HB LEU 15 0.389 3.858 0.448
128 HG LEU 15 HG LEU 15 1.788 6.540 0.453
129 HD11 LEU 15 1HD1 LEU 15 2.171 5.909 2.926
130 HD12 LEU 15 2HD1 LEU 15 0.833 4.778 2.715
131 HD13 LEU 15 3HD1 LEU 15 0.565 6.501 2.500
132 HD21 LEU 15 1HD2 LEU 15 3.577 4.967 1.520
133 HD22 LEU 15 2HD2 LEU 15 3.353 4.927 -0.226
134 HD23 LEU 15 3HD2 LEU 15 2.640 3.669 0.780
135 H TYR 16 H TYR 16 -1.426 6.192 -1.773
136 HA TYR 16 HA TYR 16 -3.233 4.103 -2.392
137 HB2 TYR 16 2HB TYR 16 -4.013 6.323 -1.676
138 HB3 TYR 16 1HB TYR 16 -3.333 7.044 -3.131
139 HD1 TYR 16 1HD TYR 16 -4.530 7.054 -5.182
140 HD2 TYR 16 2HD TYR 16 -5.891 4.597 -1.924
141 HE1 TYR 16 1HE TYR 16 -6.614 6.548 -6.429
142 HE2 TYR 16 2HE TYR 16 -7.975 4.103 -3.169
143 HH TYR 16 HH TYR 16 -8.928 5.824 -5.913
144 H ASN 17 H ASN 17 -1.350 6.297 -4.447
145 HA ASN 17 HA ASN 17 -2.356 5.416 -6.924
146 HB2 ASN 17 2HB ASN 17 0.264 6.678 -6.124
147 HB3 ASN 17 1HB ASN 17 -0.075 6.231 -7.793
148 HD21 ASN 17 1HD2 ASN 17 0.288 8.983 -7.017
149 HD22 ASN 17 2HD2 ASN 17 -1.189 9.786 -7.251
150 H TRP 18 H TRP 18 0.435 4.301 -5.018
151 HA TRP 18 HA TRP 18 1.408 2.411 -6.845
152 HB2 TRP 18 2HB TRP 18 2.785 2.988 -5.002
153 HB3 TRP 18 1HB TRP 18 1.518 2.610 -3.840
154 HD1 TRP 18 HD TRP 18 1.090 0.090 -3.237
155 HE1 TRP 18 1HE TRP 18 2.480 -2.055 -3.600
156 HE3 TRP 18 3HE TRP 18 4.505 1.804 -6.643
157 HZ2 TRP 18 2HZ TRP 18 4.733 -2.919 -5.129
158 HZ3 TRP 18 3HZ TRP 18 6.262 0.296 -7.525
159 HH2 TRP 18 HH TRP 18 6.381 -2.059 -6.773
160 H ALA 19 H ALA 19 -0.993 2.076 -4.227
161 HA ALA 19 HA ALA 19 -1.411 -0.690 -4.506
162 HB1 ALA 19 1HB ALA 19 -3.728 -0.066 -3.495
163 HB2 ALA 19 2HB ALA 19 -3.067 1.567 -3.405
164 HB3 ALA 19 3HB ALA 19 -2.280 0.250 -2.538
165 H LYS 20 H LYS 20 -3.007 2.079 -6.049
166 HA LYS 20 HA LYS 20 -4.956 0.600 -7.456
167 HB2 LYS 20 2HB LYS 20 -5.002 3.050 -7.141
168 HB3 LYS 20 1HB LYS 20 -3.642 3.203 -8.256
169 HG2 LYS 20 2HG LYS 20 -4.966 2.172 -10.046
170 HG3 LYS 20 1HG LYS 20 -6.312 1.937 -8.932
171 HD2 LYS 20 2HD LYS 20 -6.469 4.387 -8.615
172 HD3 LYS 20 1HD LYS 20 -5.149 4.611 -9.763
173 HE2 LYS 20 2HE LYS 20 -7.786 3.254 -10.393
174 HE3 LYS 20 1HE LYS 20 -7.369 4.909 -10.834
175 HZ1 LYS 20 1HZ LYS 20 -6.357 2.385 -11.909
176 HZ2 LYS 20 2HZ LYS 20 -5.289 3.704 -11.846
177 HZ3 LYS 20 3HZ LYS 20 -6.746 3.828 -12.711
178 H SER 21 H SER 21 -1.684 1.649 -8.371
179 HA SER 21 HA SER 21 -1.721 0.748 -11.030
180 HB2 SER 21 2HB SER 21 0.624 0.957 -9.124
181 HB3 SER 21 1HB SER 21 0.739 0.800 -10.876
182 HG SER 21 HG SER 21 -0.981 2.759 -10.223
183 H HIS 22 H HIS 22 -0.758 -0.890 -8.033
184 HA HIS 22 HA HIS 22 -0.903 -3.466 -9.499
185 HB2 HIS 22 2HB HIS 22 1.170 -2.541 -7.511
186 HB3 HIS 22 1HB HIS 22 0.915 -4.244 -7.910
187 HD1 HIS 22 1HD HIS 22 1.881 -0.961 -9.517
188 HD2 HIS 22 2HD HIS 22 1.936 -5.033 -10.418
189 HE1 HIS 22 1HE HIS 22 3.227 -1.205 -11.647
190 HE2 HIS 22 2HE HIS 22 3.267 -3.677 -12.212
191 H VAL 23 H VAL 23 -3.026 -3.760 -8.713
192 HA VAL 23 HA VAL 23 -3.655 -3.673 -5.929
193 HB VAL 23 HB VAL 23 -5.691 -4.943 -6.635
194 HG11 VAL 23 1HG1 VAL 23 -5.636 -2.498 -6.731
195 HG12 VAL 23 2HG1 VAL 23 -6.573 -3.145 -8.078
196 HG13 VAL 23 3HG1 VAL 23 -4.929 -2.560 -8.344
197 HG21 VAL 23 1HG2 VAL 23 -5.998 -5.314 -9.071
198 HG22 VAL 23 2HG2 VAL 23 -4.663 -6.272 -8.430
199 HG23 VAL 23 3HG2 VAL 23 -4.331 -4.806 -9.348
200 H GLY 24 H GLY 24 -2.290 -6.031 -8.069
201 HA2 GLY 24 2HA GLY 24 -2.794 -8.370 -6.591
202 HA3 GLY 24 1HA GLY 24 -1.445 -8.128 -7.698
203 H LYS 25 H LYS 25 -0.021 -6.106 -6.470
204 HA LYS 25 HA LYS 25 1.423 -7.512 -4.507
205 HB2 LYS 25 2HB LYS 25 1.382 -4.570 -5.194
206 HB3 LYS 25 1HB LYS 25 2.573 -5.338 -4.178
207 HG2 LYS 25 2HG LYS 25 2.057 -6.238 -6.992
208 HG3 LYS 25 1HG LYS 25 3.294 -5.056 -6.568
209 HD2 LYS 25 2HD LYS 25 4.134 -6.859 -4.881
210 HD3 LYS 25 1HD LYS 25 3.169 -7.983 -5.837
211 HE2 LYS 25 2HE LYS 25 4.364 -7.337 -7.869
212 HE3 LYS 25 1HE LYS 25 5.339 -6.191 -6.948
213 HZ1 LYS 25 1HZ LYS 25 6.271 -7.985 -5.683
214 HZ2 LYS 25 2HZ LYS 25 6.443 -8.362 -7.332
215 HZ3 LYS 25 3HZ LYS 25 5.232 -9.113 -6.404
216 H VAL 26 H VAL 26 -1.178 -5.166 -4.226
217 HA VAL 26 HA VAL 26 -0.969 -4.747 -1.410
218 HB VAL 26 HB VAL 26 -3.300 -4.491 -3.321
219 HG11 VAL 26 1HG1 VAL 26 -4.227 -3.042 -1.445
220 HG12 VAL 26 2HG1 VAL 26 -2.995 -3.751 -0.403
221 HG13 VAL 26 3HG1 VAL 26 -4.235 -4.777 -1.126
222 HG21 VAL 26 1HG2 VAL 26 -1.269 -2.997 -3.587
223 HG22 VAL 26 2HG2 VAL 26 -1.615 -2.376 -1.974
224 HG23 VAL 26 3HG2 VAL 26 -2.784 -2.149 -3.274
225 H TRP 27 H TRP 27 -2.876 -6.941 -3.425
226 HA TRP 27 HA TRP 27 -4.277 -8.198 -1.331
227 HB2 TRP 27 2HB TRP 27 -3.705 -8.856 -4.197
228 HB3 TRP 27 1HB TRP 27 -4.153 -10.211 -3.163
229 HD1 TRP 27 HD TRP 27 -6.316 -9.211 -1.364
230 HE1 TRP 27 1HE TRP 27 -8.575 -8.342 -2.236
231 HE3 TRP 27 3HE TRP 27 -5.001 -8.000 -6.137
232 HZ2 TRP 27 2HZ TRP 27 -9.687 -7.274 -4.651
233 HZ3 TRP 27 3HZ TRP 27 -6.675 -7.067 -7.702
234 HH2 TRP 27 HH TRP 27 -9.013 -6.701 -6.974
235 H GLU 28 H GLU 28 -1.199 -8.881 -2.870
236 HA GLU 28 HA GLU 28 -0.479 -11.274 -1.720
237 HB2 GLU 28 2HB GLU 28 0.916 -10.397 -3.435
238 HB3 GLU 28 1HB GLU 28 1.169 -8.879 -2.592
239 HG2 GLU 28 2HG GLU 28 3.162 -10.295 -2.469
240 HG3 GLU 28 1HG GLU 28 2.495 -10.058 -0.866
241 H TRP 29 H TRP 29 0.213 -7.940 -0.357
242 HA TRP 29 HA TRP 29 1.315 -9.227 2.014
243 HB2 TRP 29 2HB TRP 29 0.481 -6.374 1.556
244 HB3 TRP 29 1HB TRP 29 1.280 -6.958 3.024
245 HD1 TRP 29 HD TRP 29 3.645 -8.498 2.410
246 HE1 TRP 29 1HE TRP 29 5.463 -7.906 0.685
247 HE3 TRP 29 3HE TRP 29 1.081 -5.158 -0.391
248 HZ2 TRP 29 2HZ TRP 29 5.768 -6.225 -1.610
249 HZ3 TRP 29 3HZ TRP 29 2.102 -4.113 -2.333
250 HH2 TRP 29 HH TRP 29 4.455 -4.625 -2.965
251 H LEU 30 H LEU 30 -1.887 -8.034 1.163
252 HA LEU 30 HA LEU 30 -2.986 -7.978 3.755
253 HB2 LEU 30 2HB LEU 30 -4.169 -8.487 1.028
254 HB3 LEU 30 1HB LEU 30 -5.162 -8.577 2.481
255 HG LEU 30 HG LEU 30 -3.470 -6.180 1.718
256 HD11 LEU 30 1HD1 LEU 30 -5.421 -5.136 0.870
257 HD12 LEU 30 2HD1 LEU 30 -6.486 -6.354 1.571
258 HD13 LEU 30 3HD1 LEU 30 -5.468 -6.764 0.190
259 HD21 LEU 30 1HD2 LEU 30 -5.206 -6.895 4.042
260 HD22 LEU 30 2HD2 LEU 30 -5.347 -5.247 3.441
261 HD23 LEU 30 3HD2 LEU 30 -3.785 -5.851 3.973
262 H LYS 31 H LYS 31 -2.681 -10.607 1.408
263 HA LYS 31 HA LYS 31 -3.976 -12.588 2.966
264 HB2 LYS 31 2HB LYS 31 -3.605 -12.805 0.522
265 HB3 LYS 31 1HB LYS 31 -1.870 -12.952 0.812
266 HG2 LYS 31 2HG LYS 31 -2.260 -14.957 2.182
267 HG3 LYS 31 1HG LYS 31 -3.999 -14.794 1.928
268 HD2 LYS 31 2HD LYS 31 -3.666 -15.041 -0.503
269 HD3 LYS 31 1HD LYS 31 -1.931 -15.227 -0.237
270 HE2 LYS 31 2HE LYS 31 -2.325 -17.225 1.128
271 HE3 LYS 31 1HE LYS 31 -4.066 -17.038 0.932
272 HZ1 LYS 31 1HZ LYS 31 -3.872 -18.271 -0.883
273 HZ2 LYS 31 2HZ LYS 31 -2.175 -18.226 -0.829
274 HZ3 LYS 31 3HZ LYS 31 -3.037 -16.989 -1.615
275 H SER 32 H SER 32 -0.587 -11.648 2.546
276 HA SER 32 HA SER 32 0.572 -13.646 4.162
277 HB2 SER 32 2HB SER 32 1.860 -12.124 2.678
278 HB3 SER 32 1HB SER 32 1.522 -10.799 3.784
279 HG SER 32 HG SER 32 3.571 -12.110 4.000
280 H GLY 33 H GLY 33 -1.271 -10.849 5.014
281 HA2 GLY 33 2HA GLY 33 -2.242 -10.417 7.110
282 HA3 GLY 33 1HA GLY 33 -1.111 -11.542 7.852
283 H ALA 34 H ALA 34 0.358 -9.326 5.712
284 HA ALA 34 HA ALA 34 1.880 -8.157 7.800
285 HB1 ALA 34 1HB ALA 34 3.128 -7.256 6.122
286 HB2 ALA 34 2HB ALA 34 1.717 -6.653 5.250
287 HB3 ALA 34 3HB ALA 34 2.186 -8.342 5.105
288 H THR 35 H THR 35 1.875 -5.956 8.543
289 HA THR 35 HA THR 35 -0.775 -4.929 8.961
290 HB THR 35 HB THR 35 0.220 -3.443 10.492
291 HG1 THR 35 1HG THR 35 2.811 -3.703 9.977
292 HG21 THR 35 1HG2 THR 35 1.739 -4.831 11.781
293 HG22 THR 35 2HG2 THR 35 2.163 -5.764 10.345
294 HG23 THR 35 3HG2 THR 35 0.544 -5.889 11.029
295 H TYR 36 H TYR 36 -1.539 -2.859 8.397
296 HA TYR 36 HA TYR 36 -1.160 -2.097 5.718
297 HB2 TYR 36 2HB TYR 36 -2.180 -0.340 7.946
298 HB3 TYR 36 1HB TYR 36 -2.576 -0.235 6.227
299 HD1 TYR 36 1HD TYR 36 -3.318 -2.699 5.257
300 HD2 TYR 36 2HD TYR 36 -3.908 -1.287 9.279
301 HE1 TYR 36 1HE TYR 36 -5.158 -4.337 5.563
302 HE2 TYR 36 2HE TYR 36 -5.759 -2.926 9.583
303 HH TYR 36 HH TYR 36 -6.988 -4.487 8.656
304 H GLU 37 H GLU 37 0.212 -0.961 8.710
305 HA GLU 37 HA GLU 37 1.538 1.332 7.718
306 HB2 GLU 37 2HB GLU 37 2.056 -0.412 10.116
307 HB3 GLU 37 1HB GLU 37 2.954 1.066 9.788
308 HG2 GLU 37 2HG GLU 37 0.883 2.372 9.851
309 HG3 GLU 37 1HG GLU 37 -0.058 0.898 10.077
310 H GLN 38 H GLN 38 2.706 -1.974 8.310
311 HA GLN 38 HA GLN 38 5.345 -1.584 7.414
312 HB2 GLN 38 2HB GLN 38 4.647 -3.556 8.660
313 HB3 GLN 38 1HB GLN 38 3.640 -4.079 7.313
314 HG2 GLN 38 2HG GLN 38 5.593 -4.272 5.875
315 HG3 GLN 38 1HG GLN 38 6.635 -3.634 7.148
316 HE21 GLN 38 1HE2 GLN 38 7.737 -5.261 8.232
317 HE22 GLN 38 2HE2 GLN 38 7.144 -6.831 8.496
318 H ILE 39 H ILE 39 2.361 -2.447 5.679
319 HA ILE 39 HA ILE 39 3.507 -2.964 3.155
320 HB ILE 39 HB ILE 39 0.761 -1.992 3.942
321 HG12 ILE 39 2HG1 ILE 39 1.674 -4.695 2.920
322 HG13 ILE 39 1HG1 ILE 39 1.622 -4.311 4.641
323 HG21 ILE 39 1HG2 ILE 39 0.204 -2.880 1.596
324 HG22 ILE 39 2HG2 ILE 39 1.933 -2.784 1.273
325 HG23 ILE 39 3HG2 ILE 39 1.030 -1.325 1.669
326 HD11 ILE 39 1HD1 ILE 39 -0.716 -4.035 4.624
327 HD12 ILE 39 2HD1 ILE 39 -0.469 -5.439 3.593
328 HD13 ILE 39 3HD1 ILE 39 -0.779 -3.860 2.873
329 H LYS 40 H LYS 40 2.177 0.188 4.471
330 HA LYS 40 HA LYS 40 2.842 1.498 2.025
331 HB2 LYS 40 2HB LYS 40 2.763 3.664 3.201
332 HB3 LYS 40 1HB LYS 40 1.290 2.679 3.451
333 HG2 LYS 40 2HG LYS 40 1.988 2.037 5.626
334 HG3 LYS 40 1HG LYS 40 3.602 2.706 5.391
335 HD2 LYS 40 2HD LYS 40 2.644 4.957 5.158
336 HD3 LYS 40 1HD LYS 40 1.029 4.307 5.418
337 HE2 LYS 40 2HE LYS 40 1.987 5.300 7.486
338 HE3 LYS 40 1HE LYS 40 1.668 3.588 7.680
339 HZ1 LYS 40 1HZ LYS 40 4.316 4.589 6.821
340 HZ2 LYS 40 2HZ LYS 40 3.919 3.066 7.465
341 HZ3 LYS 40 3HZ LYS 40 3.909 4.439 8.462
342 H GLU 41 H GLU 41 4.605 0.840 5.008
343 HA GLU 41 HA GLU 41 6.744 2.563 4.660
344 HB2 GLU 41 2HB GLU 41 6.367 1.220 6.672
345 HB3 GLU 41 1HB GLU 41 6.839 -0.220 5.764
346 HG2 GLU 41 2HG GLU 41 9.066 0.750 5.330
347 HG3 GLU 41 1HG GLU 41 8.603 2.222 6.181
348 H TRP 42 H TRP 42 6.387 -0.822 3.504
349 HA TRP 42 HA TRP 42 8.887 -0.838 2.159
350 HB2 TRP 42 2HB TRP 42 6.375 -2.420 1.572
351 HB3 TRP 42 1HB TRP 42 7.935 -2.698 0.808
352 HD1 TRP 42 HD TRP 42 9.800 -2.440 3.429
353 HE1 TRP 42 1HE TRP 42 9.744 -4.330 5.154
354 HE3 TRP 42 3HE TRP 42 5.262 -4.537 2.321
355 HZ2 TRP 42 2HZ TRP 42 8.052 -6.449 5.961
356 HZ3 TRP 42 3HZ TRP 42 4.462 -6.501 3.605
357 HH2 TRP 42 HH TRP 42 5.852 -7.459 5.426
358 H ILE 43 H ILE 43 5.636 0.090 1.121
359 HA ILE 43 HA ILE 43 6.249 0.448 -1.625
360 HB ILE 43 HB ILE 43 4.153 1.690 0.168
361 HG12 ILE 43 2HG1 ILE 43 3.925 -0.388 -2.018
362 HG13 ILE 43 1HG1 ILE 43 4.128 -0.789 -0.312
363 HG21 ILE 43 1HG2 ILE 43 4.577 1.913 -2.811
364 HG22 ILE 43 2HG2 ILE 43 4.407 3.227 -1.649
365 HG23 ILE 43 3HG2 ILE 43 3.015 2.216 -2.050
366 HD11 ILE 43 1HD1 ILE 43 2.037 0.182 0.276
367 HD12 ILE 43 2HD1 ILE 43 1.709 -0.724 -1.196
368 HD13 ILE 43 3HD1 ILE 43 1.902 1.029 -1.260
369 H GLU 44 H GLU 44 6.296 2.810 1.052
370 HA GLU 44 HA GLU 44 7.018 4.915 -0.659
371 HB2 GLU 44 2HB GLU 44 7.302 6.277 1.290
372 HB3 GLU 44 1HB GLU 44 5.830 5.295 1.475
373 HG2 GLU 44 2HG GLU 44 6.611 4.396 3.383
374 HG3 GLU 44 1HG GLU 44 8.100 3.879 2.612
375 H ASN 45 H ASN 45 8.930 2.622 1.234
376 HA ASN 45 HA ASN 45 11.420 3.922 0.885
377 HB2 ASN 45 2HB ASN 45 11.109 2.082 2.493
378 HB3 ASN 45 1HB ASN 45 10.793 0.974 1.164
379 HD21 ASN 45 1HD2 ASN 45 12.901 0.281 2.833
380 HD22 ASN 45 2HD2 ASN 45 14.390 0.561 2.066
381 H ALA 46 H ALA 46 9.685 1.498 -1.105
382 HA ALA 46 HA ALA 46 11.740 1.122 -3.012
383 HB1 ALA 46 1HB ALA 46 8.735 0.876 -3.364
384 HB2 ALA 46 2HB ALA 46 9.802 -0.407 -2.789
385 HB3 ALA 46 3HB ALA 46 9.955 0.200 -4.439
386 H LEU 47 H LEU 47 8.987 3.369 -2.803
387 HA LEU 47 HA LEU 47 9.270 4.585 -5.309
388 HB2 LEU 47 2HB LEU 47 7.811 5.004 -2.831
389 HB3 LEU 47 1HB LEU 47 8.344 6.541 -3.466
390 HG LEU 47 HG LEU 47 7.353 5.819 -5.712
391 HD11 LEU 47 1HD1 LEU 47 5.701 4.001 -5.628
392 HD12 LEU 47 2HD1 LEU 47 6.092 3.717 -3.933
393 HD13 LEU 47 3HD1 LEU 47 7.298 3.400 -5.180
394 HD21 LEU 47 1HD2 LEU 47 5.738 6.304 -3.213
395 HD22 LEU 47 2HD2 LEU 47 4.919 6.058 -4.756
396 HD23 LEU 47 3HD2 LEU 47 6.048 7.399 -4.559
397 H GLY 48 H GLY 48 10.735 5.457 -2.153
398 HA2 GLY 48 2HA GLY 48 12.111 7.739 -3.065
399 HA3 GLY 48 1HA GLY 48 12.556 6.779 -1.658
400 H TRP 49 H TRP 49 13.068 4.316 -2.947
401 HA TRP 49 HA TRP 49 15.748 4.633 -3.761
402 HB2 TRP 49 2HB TRP 49 15.065 2.525 -2.863
403 HB3 TRP 49 1HB TRP 49 13.803 2.341 -4.079
404 HD1 TRP 49 HD TRP 49 14.423 1.012 -6.147
405 HE1 TRP 49 1HE TRP 49 16.613 0.176 -7.223
406 HE3 TRP 49 3HE TRP 49 17.811 3.325 -3.118
407 HZ2 TRP 49 2HZ TRP 49 19.436 0.456 -6.833
408 HZ3 TRP 49 3HZ TRP 49 20.240 3.030 -3.487
409 HH2 TRP 49 HH TRP 49 21.058 1.600 -5.340
410 H ARG 50 H ARG 50 12.760 4.249 -5.606
411 HA ARG 50 HA ARG 50 14.075 5.365 -7.964
412 HB2 ARG 50 2HB ARG 50 13.270 3.604 -9.448
413 HB3 ARG 50 1HB ARG 50 14.364 2.936 -8.236
414 HG2 ARG 50 2HG ARG 50 12.409 2.227 -6.884
415 HG3 ARG 50 1HG ARG 50 11.333 2.872 -8.124
416 HD2 ARG 50 2HD ARG 50 12.316 1.328 -9.775
417 HD3 ARG 50 1HD ARG 50 13.379 0.680 -8.530
418 HE ARG 50 HE ARG 50 10.743 0.475 -7.594
419 HH11 ARG 50 1HH1 ARG 50 9.656 -1.525 -7.759
420 HH12 ARG 50 2HH1 ARG 50 10.191 -2.698 -8.915
421 HH21 ARG 50 1HH2 ARG 50 12.778 -0.715 -10.115
422 HH22 ARG 50 2HH2 ARG 50 11.964 -2.237 -10.252
Start of MODEL 17
1 H FME 1 H FME 1 -11.679 -5.140 1.629
2 HCN FME 1 HF FME 1 -10.897 -4.856 3.814
3 HA FME 1 HA FME 1 -9.201 -4.151 0.621
4 HB2 FME 1 1HB FME 1 -11.856 -4.153 -0.825
5 HB3 FME 1 2HB FME 1 -10.851 -5.592 -0.651
6 HG2 FME 1 1HG FME 1 -9.661 -3.043 -1.719
7 HG3 FME 1 2HG FME 1 -10.573 -4.110 -2.787
8 HE1 FME 1 1HE FME 1 -8.576 -4.944 -4.410
9 HE2 FME 1 2HE FME 1 -6.938 -4.854 -3.770
10 HE3 FME 1 3HE FME 1 -8.004 -3.459 -3.635
11 H ALA 2 H ALA 2 -12.463 -2.680 0.811
12 HA ALA 2 HA ALA 2 -11.672 -0.134 -0.125
13 HB1 ALA 2 1HB ALA 2 -13.776 0.664 0.903
14 HB2 ALA 2 2HB ALA 2 -13.961 -0.901 1.696
15 HB3 ALA 2 3HB ALA 2 -14.013 -0.791 -0.063
16 H GLY 3 H GLY 3 -11.873 -1.484 3.147
17 HA2 GLY 3 2HA GLY 3 -11.330 0.887 4.576
18 HA3 GLY 3 1HA GLY 3 -11.010 -0.748 5.154
19 H LEU 4 H LEU 4 -9.197 -1.572 3.153
20 HA LEU 4 HA LEU 4 -6.713 -0.648 4.144
21 HB2 LEU 4 2HB LEU 4 -6.959 -2.855 3.142
22 HB3 LEU 4 1HB LEU 4 -7.425 -2.150 1.601
23 HG LEU 4 HG LEU 4 -5.020 -2.965 1.776
24 HD11 LEU 4 1HD1 LEU 4 -6.038 -0.870 0.344
25 HD12 LEU 4 2HD1 LEU 4 -4.402 -1.479 0.175
26 HD13 LEU 4 3HD1 LEU 4 -4.720 -0.085 1.198
27 HD21 LEU 4 1HD2 LEU 4 -3.448 -1.831 3.113
28 HD22 LEU 4 2HD2 LEU 4 -4.864 -1.979 4.157
29 HD23 LEU 4 3HD2 LEU 4 -4.517 -0.444 3.354
30 H LEU 5 H LEU 5 -8.458 0.048 1.147
31 HA LEU 5 HA LEU 5 -6.537 1.739 -0.038
32 HB2 LEU 5 2HB LEU 5 -9.551 1.631 -0.294
33 HB3 LEU 5 1HB LEU 5 -8.516 2.612 -1.330
34 HG LEU 5 HG LEU 5 -8.230 -0.393 -1.000
35 HD11 LEU 5 1HD1 LEU 5 -10.389 0.251 -2.076
36 HD12 LEU 5 2HD1 LEU 5 -9.302 -0.593 -3.179
37 HD13 LEU 5 3HD1 LEU 5 -9.479 1.157 -3.285
38 HD21 LEU 5 1HD2 LEU 5 -6.164 0.315 -1.794
39 HD22 LEU 5 2HD2 LEU 5 -6.844 1.718 -2.616
40 HD23 LEU 5 3HD2 LEU 5 -7.026 0.111 -3.319
41 H ARG 6 H ARG 6 -9.317 2.416 2.069
42 HA ARG 6 HA ARG 6 -9.157 5.219 2.038
43 HB2 ARG 6 2HB ARG 6 -11.031 3.865 3.039
44 HB3 ARG 6 1HB ARG 6 -9.961 3.495 4.393
45 HG2 ARG 6 2HG ARG 6 -9.691 6.192 4.377
46 HG3 ARG 6 1HG ARG 6 -11.306 6.068 3.677
47 HD2 ARG 6 2HD ARG 6 -10.450 4.755 6.270
48 HD3 ARG 6 1HD ARG 6 -11.347 6.268 6.158
49 HE ARG 6 HE ARG 6 -12.767 4.379 4.678
50 HH11 ARG 6 1HH1 ARG 6 -14.545 3.296 5.610
51 HH12 ARG 6 2HH1 ARG 6 -14.660 3.170 7.335
52 HH21 ARG 6 1HH2 ARG 6 -11.686 4.867 7.912
53 HH22 ARG 6 2HH2 ARG 6 -13.036 4.067 8.641
54 H PHE 7 H PHE 7 -7.646 2.822 4.187
55 HA PHE 7 HA PHE 7 -6.389 4.603 5.928
56 HB2 PHE 7 2HB PHE 7 -6.601 2.176 6.320
57 HB3 PHE 7 1HB PHE 7 -5.448 1.871 5.029
58 HD1 PHE 7 1HD PHE 7 -3.101 2.124 5.371
59 HD2 PHE 7 2HD PHE 7 -5.879 3.418 8.375
60 HE1 PHE 7 1HE PHE 7 -1.236 2.375 6.985
61 HE2 PHE 7 2HE PHE 7 -4.018 3.675 9.990
62 HZ PHE 7 HZ PHE 7 -1.695 3.148 9.297
63 H LEU 8 H LEU 8 -5.218 3.118 2.915
64 HA LEU 8 HA LEU 8 -2.642 4.236 3.060
65 HB2 LEU 8 2HB LEU 8 -4.307 3.149 0.812
66 HB3 LEU 8 1HB LEU 8 -2.767 3.935 0.465
67 HG LEU 8 HG LEU 8 -3.091 1.652 2.432
68 HD11 LEU 8 1HD1 LEU 8 -2.478 0.141 0.758
69 HD12 LEU 8 2HD1 LEU 8 -1.738 1.394 -0.236
70 HD13 LEU 8 3HD1 LEU 8 -3.490 1.260 -0.158
71 HD21 LEU 8 1HD2 LEU 8 -0.998 2.264 3.081
72 HD22 LEU 8 2HD2 LEU 8 -0.898 3.503 1.829
73 HD23 LEU 8 3HD2 LEU 8 -0.413 1.851 1.469
74 H LEU 9 H LEU 9 -5.636 5.412 1.581
75 HA LEU 9 HA LEU 9 -4.535 7.712 0.368
76 HB2 LEU 9 2HB LEU 9 -6.899 6.596 0.148
77 HB3 LEU 9 1HB LEU 9 -7.324 7.676 1.475
78 HG LEU 9 HG LEU 9 -6.045 8.582 -1.120
79 HD11 LEU 9 1HD1 LEU 9 -8.937 8.604 -0.210
80 HD12 LEU 9 2HD1 LEU 9 -8.266 7.730 -1.587
81 HD13 LEU 9 3HD1 LEU 9 -8.334 9.493 -1.610
82 HD21 LEU 9 1HD2 LEU 9 -6.916 9.937 1.405
83 HD22 LEU 9 2HD2 LEU 9 -7.200 10.791 -0.113
84 HD23 LEU 9 3HD2 LEU 9 -5.567 10.313 0.334
85 H SER 10 H SER 10 -6.005 7.227 3.581
86 HA SER 10 HA SER 10 -5.897 9.904 4.422
87 HB2 SER 10 2HB SER 10 -5.635 7.400 6.094
88 HB3 SER 10 1HB SER 10 -6.031 9.001 6.703
89 HG SER 10 HG SER 10 -7.855 7.574 6.251
90 H LYS 11 H LYS 11 -3.458 7.304 4.632
91 HA LYS 11 HA LYS 11 -1.618 8.916 6.132
92 HB2 LYS 11 2HB LYS 11 -1.129 6.430 4.480
93 HB3 LYS 11 1HB LYS 11 0.040 7.158 5.577
94 HG2 LYS 11 2HG LYS 11 -2.696 6.147 6.405
95 HG3 LYS 11 1HG LYS 11 -1.191 5.256 6.620
96 HD2 LYS 11 2HD LYS 11 -0.391 7.427 7.860
97 HD3 LYS 11 1HD LYS 11 -2.115 7.760 8.005
98 HE2 LYS 11 2HE LYS 11 -2.474 5.590 9.081
99 HE3 LYS 11 1HE LYS 11 -0.756 5.218 8.925
100 HZ1 LYS 11 1HZ LYS 11 -0.201 6.637 10.570
101 HZ2 LYS 11 2HZ LYS 11 -1.793 6.341 11.083
102 HZ3 LYS 11 3HZ LYS 11 -1.429 7.748 10.199
103 H GLY 12 H GLY 12 -1.948 8.166 2.691
104 HA2 GLY 12 2HA GLY 12 -0.742 10.639 1.924
105 HA3 GLY 12 1HA GLY 12 0.346 9.282 1.658
106 H ARG 13 H ARG 13 -0.563 10.800 -0.483
107 HA ARG 13 HA ARG 13 -2.787 9.366 -1.723
108 HB2 ARG 13 2HB ARG 13 -2.625 11.821 -1.961
109 HB3 ARG 13 1HB ARG 13 -1.086 11.626 -2.799
110 HG2 ARG 13 2HG ARG 13 -2.198 10.291 -4.554
111 HG3 ARG 13 1HG ARG 13 -3.743 10.481 -3.717
112 HD2 ARG 13 2HD ARG 13 -3.463 12.971 -3.912
113 HD3 ARG 13 1HD ARG 13 -2.036 12.684 -4.900
114 HE ARG 13 HE ARG 13 -4.375 11.315 -5.888
115 HH11 ARG 13 1HH1 ARG 13 -5.237 12.106 -7.839
116 HH12 ARG 13 2HH1 ARG 13 -4.754 13.663 -8.426
117 HH21 ARG 13 1HH2 ARG 13 -2.637 14.315 -5.769
118 HH22 ARG 13 2HH2 ARG 13 -3.289 14.907 -7.261
119 H ALA 14 H ALA 14 0.690 9.640 -1.946
120 HA ALA 14 HA ALA 14 1.107 8.448 -4.448
121 HB1 ALA 14 1HB ALA 14 2.781 9.582 -2.796
122 HB2 ALA 14 2HB ALA 14 3.351 8.271 -3.828
123 HB3 ALA 14 3HB ALA 14 2.961 7.956 -2.139
124 H LEU 15 H LEU 15 0.946 6.975 -1.202
125 HA LEU 15 HA LEU 15 1.430 4.326 -2.013
126 HB2 LEU 15 2HB LEU 15 -0.338 5.144 0.281
127 HB3 LEU 15 1HB LEU 15 0.597 3.669 0.125
128 HG LEU 15 HG LEU 15 1.966 6.365 0.112
129 HD11 LEU 15 1HD1 LEU 15 2.340 5.886 2.606
130 HD12 LEU 15 2HD1 LEU 15 0.951 4.807 2.478
131 HD13 LEU 15 3HD1 LEU 15 0.765 6.521 2.129
132 HD21 LEU 15 1HD2 LEU 15 3.388 4.567 -0.525
133 HD22 LEU 15 2HD2 LEU 15 2.769 3.508 0.741
134 HD23 LEU 15 3HD2 LEU 15 3.759 4.892 1.157
135 H TYR 16 H TYR 16 -1.543 6.194 -1.690
136 HA TYR 16 HA TYR 16 -3.375 4.121 -2.199
137 HB2 TYR 16 2HB TYR 16 -4.146 6.211 -1.310
138 HB3 TYR 16 1HB TYR 16 -3.506 7.104 -2.689
139 HD1 TYR 16 1HD TYR 16 -5.002 7.671 -4.416
140 HD2 TYR 16 2HD TYR 16 -5.837 4.252 -1.945
141 HE1 TYR 16 1HE TYR 16 -7.168 7.352 -5.583
142 HE2 TYR 16 2HE TYR 16 -7.997 3.940 -3.120
143 HH TYR 16 HH TYR 16 -8.806 4.714 -5.693
144 H ASN 17 H ASN 17 -1.825 6.445 -4.418
145 HA ASN 17 HA ASN 17 -3.077 5.548 -6.772
146 HB2 ASN 17 2HB ASN 17 -1.804 7.640 -6.652
147 HB3 ASN 17 1HB ASN 17 -0.318 6.729 -6.394
148 HD21 ASN 17 1HD2 ASN 17 0.665 7.467 -8.388
149 HD22 ASN 17 2HD2 ASN 17 0.100 6.961 -9.906
150 H TRP 18 H TRP 18 -0.091 4.546 -5.171
151 HA TRP 18 HA TRP 18 0.802 2.717 -7.089
152 HB2 TRP 18 2HB TRP 18 2.303 3.346 -5.347
153 HB3 TRP 18 1HB TRP 18 1.163 2.857 -4.093
154 HD1 TRP 18 HD TRP 18 1.324 0.454 -3.236
155 HE1 TRP 18 1HE TRP 18 2.653 -1.648 -3.924
156 HE3 TRP 18 3HE TRP 18 3.363 2.104 -7.614
157 HZ2 TRP 18 2HZ TRP 18 4.366 -2.504 -6.063
158 HZ3 TRP 18 3HZ TRP 18 4.840 0.633 -8.948
159 HH2 TRP 18 HH TRP 18 5.343 -1.670 -8.180
160 H ALA 19 H ALA 19 -1.280 2.217 -4.243
161 HA ALA 19 HA ALA 19 -1.596 -0.553 -4.523
162 HB1 ALA 19 1HB ALA 19 -2.298 0.324 -2.466
163 HB2 ALA 19 2HB ALA 19 -3.818 -0.073 -3.272
164 HB3 ALA 19 3HB ALA 19 -3.250 1.596 -3.231
165 H LYS 20 H LYS 20 -3.442 2.150 -5.860
166 HA LYS 20 HA LYS 20 -5.495 0.617 -7.065
167 HB2 LYS 20 2HB LYS 20 -5.614 3.073 -6.700
168 HB3 LYS 20 1HB LYS 20 -4.393 3.295 -7.955
169 HG2 LYS 20 2HG LYS 20 -5.862 2.221 -9.607
170 HG3 LYS 20 1HG LYS 20 -7.075 1.935 -8.359
171 HD2 LYS 20 2HD LYS 20 -7.278 4.375 -8.003
172 HD3 LYS 20 1HD LYS 20 -6.082 4.652 -9.270
173 HE2 LYS 20 2HE LYS 20 -7.549 3.574 -10.919
174 HE3 LYS 20 1HE LYS 20 -8.738 3.238 -9.659
175 HZ1 LYS 20 1HZ LYS 20 -9.479 5.194 -10.645
176 HZ2 LYS 20 2HZ LYS 20 -7.915 5.852 -10.761
177 HZ3 LYS 20 3HZ LYS 20 -8.679 5.732 -9.248
178 H SER 21 H SER 21 -2.409 1.856 -8.311
179 HA SER 21 HA SER 21 -2.681 0.977 -10.958
180 HB2 SER 21 2HB SER 21 -0.950 2.573 -10.241
181 HB3 SER 21 1HB SER 21 -0.158 1.299 -9.318
182 HG SER 21 HG SER 21 -0.586 0.396 -11.769
183 H HIS 22 H HIS 22 -1.285 -0.668 -8.118
184 HA HIS 22 HA HIS 22 -1.269 -3.183 -9.683
185 HB2 HIS 22 2HB HIS 22 0.990 -2.025 -8.903
186 HB3 HIS 22 1HB HIS 22 0.589 -2.784 -7.367
187 HD1 HIS 22 1HD HIS 22 2.505 -3.476 -10.234
188 HD2 HIS 22 2HD HIS 22 -0.234 -5.742 -8.054
189 HE1 HIS 22 1HE HIS 22 2.945 -5.898 -10.828
190 HE2 HIS 22 2HE HIS 22 1.300 -7.294 -9.489
191 H VAL 23 H VAL 23 -3.333 -3.738 -8.954
192 HA VAL 23 HA VAL 23 -4.073 -3.749 -6.226
193 HB VAL 23 HB VAL 23 -5.917 -5.246 -6.974
194 HG11 VAL 23 1HG1 VAL 23 -6.762 -3.605 -8.800
195 HG12 VAL 23 2HG1 VAL 23 -5.252 -2.742 -8.516
196 HG13 VAL 23 3HG1 VAL 23 -6.408 -2.943 -7.203
197 HG21 VAL 23 1HG2 VAL 23 -6.024 -5.681 -9.469
198 HG22 VAL 23 2HG2 VAL 23 -4.760 -6.579 -8.627
199 HG23 VAL 23 3HG2 VAL 23 -4.347 -5.143 -9.565
200 H GLY 24 H GLY 24 -2.207 -5.884 -8.199
201 HA2 GLY 24 2HA GLY 24 -2.552 -8.296 -6.800
202 HA3 GLY 24 1HA GLY 24 -1.145 -7.878 -7.763
203 H LYS 25 H LYS 25 -0.224 -5.618 -6.296
204 HA LYS 25 HA LYS 25 1.249 -6.894 -4.249
205 HB2 LYS 25 2HB LYS 25 0.989 -4.105 -5.245
206 HB3 LYS 25 1HB LYS 25 1.486 -4.237 -3.566
207 HG2 LYS 25 2HG LYS 25 3.495 -4.216 -4.829
208 HG3 LYS 25 1HG LYS 25 3.275 -5.894 -4.359
209 HD2 LYS 25 2HD LYS 25 2.208 -6.330 -6.572
210 HD3 LYS 25 1HD LYS 25 2.557 -4.666 -7.037
211 HE2 LYS 25 2HE LYS 25 4.648 -6.684 -6.185
212 HE3 LYS 25 1HE LYS 25 4.292 -6.254 -7.858
213 HZ1 LYS 25 1HZ LYS 25 6.178 -5.011 -6.878
214 HZ2 LYS 25 2HZ LYS 25 5.100 -4.301 -5.774
215 HZ3 LYS 25 3HZ LYS 25 4.929 -4.010 -7.439
216 H VAL 26 H VAL 26 -1.664 -4.907 -4.186
217 HA VAL 26 HA VAL 26 -1.926 -4.641 -1.402
218 HB VAL 26 HB VAL 26 -4.002 -4.710 -3.589
219 HG11 VAL 26 1HG1 VAL 26 -4.242 -4.087 -0.637
220 HG12 VAL 26 2HG1 VAL 26 -5.147 -5.287 -1.558
221 HG13 VAL 26 3HG1 VAL 26 -5.434 -3.568 -1.828
222 HG21 VAL 26 1HG2 VAL 26 -3.092 -2.336 -1.976
223 HG22 VAL 26 2HG2 VAL 26 -3.849 -2.363 -3.568
224 HG23 VAL 26 3HG2 VAL 26 -2.167 -2.864 -3.382
225 H TRP 27 H TRP 27 -3.202 -7.072 -3.647
226 HA TRP 27 HA TRP 27 -4.572 -8.594 -1.695
227 HB2 TRP 27 2HB TRP 27 -3.451 -9.270 -4.405
228 HB3 TRP 27 1HB TRP 27 -4.282 -10.469 -3.420
229 HD1 TRP 27 HD TRP 27 -4.988 -8.109 -6.039
230 HE1 TRP 27 1HE TRP 27 -7.475 -7.447 -6.111
231 HE3 TRP 27 3HE TRP 27 -6.504 -9.837 -1.469
232 HZ2 TRP 27 2HZ TRP 27 -9.797 -7.617 -4.460
233 HZ3 TRP 27 3HZ TRP 27 -8.863 -9.568 -0.749
234 HH2 TRP 27 HH TRP 27 -10.508 -8.461 -2.240
235 H GLU 28 H GLU 28 -1.280 -8.826 -3.001
236 HA GLU 28 HA GLU 28 -0.494 -11.190 -1.740
237 HB2 GLU 28 2HB GLU 28 0.803 -10.038 -3.532
238 HB3 GLU 28 1HB GLU 28 1.262 -8.806 -2.359
239 HG2 GLU 28 2HG GLU 28 3.063 -10.417 -2.472
240 HG3 GLU 28 1HG GLU 28 2.251 -10.624 -0.925
241 H TRP 29 H TRP 29 -0.238 -7.791 -0.563
242 HA TRP 29 HA TRP 29 1.067 -8.580 1.830
243 HB2 TRP 29 2HB TRP 29 -0.647 -6.123 1.684
244 HB3 TRP 29 1HB TRP 29 0.797 -6.417 2.629
245 HD1 TRP 29 HD TRP 29 -0.148 -4.380 -0.033
246 HE1 TRP 29 1HE TRP 29 1.738 -3.875 -1.709
247 HE3 TRP 29 3HE TRP 29 3.195 -7.991 1.301
248 HZ2 TRP 29 2HZ TRP 29 4.328 -4.853 -2.379
249 HZ3 TRP 29 3HZ TRP 29 5.365 -8.154 0.147
250 HH2 TRP 29 HH TRP 29 5.946 -6.601 -1.690
251 H LEU 30 H LEU 30 -2.370 -8.171 0.975
252 HA LEU 30 HA LEU 30 -3.314 -8.437 3.631
253 HB2 LEU 30 2HB LEU 30 -4.544 -8.707 0.922
254 HB3 LEU 30 1HB LEU 30 -5.420 -9.420 2.275
255 HG LEU 30 HG LEU 30 -5.196 -7.188 3.470
256 HD11 LEU 30 1HD1 LEU 30 -4.469 -5.265 2.357
257 HD12 LEU 30 2HD1 LEU 30 -4.626 -6.003 0.766
258 HD13 LEU 30 3HD1 LEU 30 -3.300 -6.466 1.826
259 HD21 LEU 30 1HD2 LEU 30 -6.680 -7.206 0.830
260 HD22 LEU 30 2HD2 LEU 30 -7.008 -6.129 2.188
261 HD23 LEU 30 3HD2 LEU 30 -7.273 -7.863 2.355
262 H LYS 31 H LYS 31 -2.661 -10.852 1.125
263 HA LYS 31 HA LYS 31 -3.619 -13.081 2.571
264 HB2 LYS 31 2HB LYS 31 -3.051 -13.116 0.138
265 HB3 LYS 31 1HB LYS 31 -1.343 -13.022 0.562
266 HG2 LYS 31 2HG LYS 31 -1.514 -15.137 1.802
267 HG3 LYS 31 1HG LYS 31 -3.240 -15.219 1.441
268 HD2 LYS 31 2HD LYS 31 -2.738 -15.286 -0.973
269 HD3 LYS 31 1HD LYS 31 -1.010 -15.225 -0.611
270 HE2 LYS 31 2HE LYS 31 -2.875 -17.367 0.434
271 HE3 LYS 31 1HE LYS 31 -1.880 -17.555 -1.010
272 HZ1 LYS 31 1HZ LYS 31 -0.331 -18.272 0.406
273 HZ2 LYS 31 2HZ LYS 31 -1.127 -17.634 1.766
274 HZ3 LYS 31 3HZ LYS 31 -0.121 -16.640 0.825
275 H SER 32 H SER 32 -0.424 -11.527 2.431
276 HA SER 32 HA SER 32 0.975 -13.362 4.049
277 HB2 SER 32 2HB SER 32 1.436 -10.383 3.802
278 HB3 SER 32 1HB SER 32 2.601 -11.577 4.366
279 HG SER 32 HG SER 32 1.949 -12.575 2.163
280 H GLY 33 H GLY 33 -0.966 -10.525 4.867
281 HA2 GLY 33 2HA GLY 33 -2.214 -10.330 6.877
282 HA3 GLY 33 1HA GLY 33 -1.133 -11.492 7.637
283 H ALA 34 H ALA 34 0.572 -9.217 5.820
284 HA ALA 34 HA ALA 34 1.992 -8.161 7.983
285 HB1 ALA 34 1HB ALA 34 3.028 -7.986 5.879
286 HB2 ALA 34 2HB ALA 34 2.578 -6.321 6.253
287 HB3 ALA 34 3HB ALA 34 1.600 -7.268 5.134
288 H THR 35 H THR 35 2.136 -5.561 8.088
289 HA THR 35 HA THR 35 -0.545 -4.681 8.946
290 HB THR 35 HB THR 35 0.516 -3.253 10.482
291 HG1 THR 35 1HG THR 35 2.977 -3.227 10.244
292 HG21 THR 35 1HG2 THR 35 2.402 -5.607 10.335
293 HG22 THR 35 2HG2 THR 35 0.745 -5.745 10.919
294 HG23 THR 35 3HG2 THR 35 1.897 -4.716 11.772
295 H TYR 36 H TYR 36 -1.262 -2.573 8.436
296 HA TYR 36 HA TYR 36 -0.906 -1.762 5.775
297 HB2 TYR 36 2HB TYR 36 -1.845 -0.008 8.030
298 HB3 TYR 36 1HB TYR 36 -2.260 0.128 6.324
299 HD1 TYR 36 1HD TYR 36 -3.031 -2.454 5.405
300 HD2 TYR 36 2HD TYR 36 -3.627 -0.747 9.302
301 HE1 TYR 36 1HE TYR 36 -4.944 -3.975 5.775
302 HE2 TYR 36 2HE TYR 36 -5.543 -2.275 9.672
303 HH TYR 36 HH TYR 36 -6.172 -4.957 7.652
304 H GLU 37 H GLU 37 0.491 -0.538 8.753
305 HA GLU 37 HA GLU 37 1.846 1.668 7.670
306 HB2 GLU 37 2HB GLU 37 1.474 1.282 10.094
307 HB3 GLU 37 1HB GLU 37 2.649 -0.036 10.041
308 HG2 GLU 37 2HG GLU 37 4.397 1.523 9.302
309 HG3 GLU 37 1HG GLU 37 3.232 2.843 9.290
310 H GLN 38 H GLN 38 3.047 -1.592 8.420
311 HA GLN 38 HA GLN 38 5.647 -1.232 7.484
312 HB2 GLN 38 2HB GLN 38 4.990 -3.136 8.820
313 HB3 GLN 38 1HB GLN 38 3.930 -3.720 7.541
314 HG2 GLN 38 2HG GLN 38 5.832 -4.071 6.068
315 HG3 GLN 38 1HG GLN 38 6.925 -3.376 7.266
316 HE21 GLN 38 1HE2 GLN 38 5.313 -6.288 6.300
317 HE22 GLN 38 2HE2 GLN 38 5.820 -7.249 7.603
318 H ILE 39 H ILE 39 2.719 -2.236 5.737
319 HA ILE 39 HA ILE 39 4.011 -2.848 3.312
320 HB ILE 39 HB ILE 39 1.184 -1.969 3.897
321 HG12 ILE 39 2HG1 ILE 39 2.189 -4.727 3.215
322 HG13 ILE 39 1HG1 ILE 39 2.242 -4.148 4.878
323 HG21 ILE 39 1HG2 ILE 39 1.722 -1.607 1.523
324 HG22 ILE 39 2HG2 ILE 39 0.677 -3.009 1.689
325 HG23 ILE 39 3HG2 ILE 39 2.407 -3.231 1.410
326 HD11 ILE 39 1HD1 ILE 39 -0.230 -4.321 3.128
327 HD12 ILE 39 2HD1 ILE 39 -0.185 -3.637 4.745
328 HD13 ILE 39 3HD1 ILE 39 0.135 -5.345 4.517
329 H LYS 40 H LYS 40 2.492 0.273 4.427
330 HA LYS 40 HA LYS 40 3.129 1.511 1.924
331 HB2 LYS 40 2HB LYS 40 2.952 3.727 3.045
332 HB3 LYS 40 1HB LYS 40 1.494 2.707 3.172
333 HG2 LYS 40 2HG LYS 40 1.967 2.138 5.440
334 HG3 LYS 40 1HG LYS 40 3.599 2.802 5.340
335 HD2 LYS 40 2HD LYS 40 2.639 5.058 4.935
336 HD3 LYS 40 1HD LYS 40 1.019 4.382 5.117
337 HE2 LYS 40 2HE LYS 40 3.043 3.960 7.290
338 HE3 LYS 40 1HE LYS 40 2.198 5.506 7.173
339 HZ1 LYS 40 1HZ LYS 40 0.704 2.974 7.066
340 HZ2 LYS 40 2HZ LYS 40 0.164 4.520 7.521
341 HZ3 LYS 40 3HZ LYS 40 1.170 3.625 8.560
342 H GLU 41 H GLU 41 4.843 1.058 4.951
343 HA GLU 41 HA GLU 41 6.918 2.841 4.566
344 HB2 GLU 41 2HB GLU 41 6.587 1.569 6.640
345 HB3 GLU 41 1HB GLU 41 7.087 0.098 5.809
346 HG2 GLU 41 2HG GLU 41 9.017 0.947 6.979
347 HG3 GLU 41 1HG GLU 41 9.277 1.257 5.275
348 H TRP 42 H TRP 42 6.645 -0.548 3.509
349 HA TRP 42 HA TRP 42 9.123 -0.696 2.185
350 HB2 TRP 42 2HB TRP 42 6.484 -2.035 1.579
351 HB3 TRP 42 1HB TRP 42 8.008 -2.476 0.825
352 HD1 TRP 42 HD TRP 42 9.674 -2.239 3.735
353 HE1 TRP 42 1HE TRP 42 9.424 -4.239 5.330
354 HE3 TRP 42 3HE TRP 42 5.369 -4.289 1.912
355 HZ2 TRP 42 2HZ TRP 42 7.627 -6.433 5.780
356 HZ3 TRP 42 3HZ TRP 42 4.405 -6.327 2.933
357 HH2 TRP 42 HH TRP 42 5.533 -7.403 4.866
358 H ILE 43 H ILE 43 5.913 0.222 1.092
359 HA ILE 43 HA ILE 43 6.542 0.522 -1.628
360 HB ILE 43 HB ILE 43 4.415 1.821 0.071
361 HG12 ILE 43 2HG1 ILE 43 4.231 -0.397 -1.985
362 HG13 ILE 43 1HG1 ILE 43 4.424 -0.690 -0.254
363 HG21 ILE 43 1HG2 ILE 43 3.294 2.242 -2.151
364 HG22 ILE 43 2HG2 ILE 43 4.839 1.873 -2.922
365 HG23 ILE 43 3HG2 ILE 43 4.701 3.251 -1.833
366 HD11 ILE 43 1HD1 ILE 43 2.317 0.182 0.260
367 HD12 ILE 43 2HD1 ILE 43 2.011 -0.641 -1.265
368 HD13 ILE 43 3HD1 ILE 43 2.219 1.111 -1.231
369 H GLU 44 H GLU 44 6.513 2.969 0.947
370 HA GLU 44 HA GLU 44 7.196 5.029 -0.837
371 HB2 GLU 44 2HB GLU 44 7.380 6.467 1.090
372 HB3 GLU 44 1HB GLU 44 5.966 5.413 1.283
373 HG2 GLU 44 2HG GLU 44 6.761 4.667 3.250
374 HG3 GLU 44 1HG GLU 44 8.225 4.101 2.480
375 H ASN 45 H ASN 45 9.168 2.819 1.170
376 HA ASN 45 HA ASN 45 11.606 4.184 0.824
377 HB2 ASN 45 2HB ASN 45 11.337 2.405 2.467
378 HB3 ASN 45 1HB ASN 45 11.062 1.231 1.178
379 HD21 ASN 45 1HD2 ASN 45 13.226 0.895 2.989
380 HD22 ASN 45 2HD2 ASN 45 14.677 1.118 2.140
381 H ALA 46 H ALA 46 9.954 1.709 -1.137
382 HA ALA 46 HA ALA 46 12.037 1.388 -3.034
383 HB1 ALA 46 1HB ALA 46 10.454 0.192 -4.335
384 HB2 ALA 46 2HB ALA 46 9.093 1.056 -3.616
385 HB3 ALA 46 3HB ALA 46 9.995 -0.120 -2.659
386 H LEU 47 H LEU 47 9.188 3.513 -2.874
387 HA LEU 47 HA LEU 47 9.409 4.681 -5.402
388 HB2 LEU 47 2HB LEU 47 7.578 4.853 -3.556
389 HB3 LEU 47 1HB LEU 47 8.510 6.237 -2.995
390 HG LEU 47 HG LEU 47 7.491 5.887 -5.831
391 HD11 LEU 47 1HD1 LEU 47 5.789 7.544 -5.257
392 HD12 LEU 47 2HD1 LEU 47 6.427 7.665 -3.617
393 HD13 LEU 47 3HD1 LEU 47 5.667 6.169 -4.159
394 HD21 LEU 47 1HD2 LEU 47 7.965 8.519 -5.608
395 HD22 LEU 47 2HD2 LEU 47 9.235 7.391 -6.080
396 HD23 LEU 47 3HD2 LEU 47 9.134 7.953 -4.411
397 H GLY 48 H GLY 48 10.855 5.673 -2.282
398 HA2 GLY 48 2HA GLY 48 12.102 8.016 -3.202
399 HA3 GLY 48 1HA GLY 48 12.626 7.051 -1.821
400 H TRP 49 H TRP 49 13.230 4.649 -3.078
401 HA TRP 49 HA TRP 49 15.061 5.158 -5.271
402 HB2 TRP 49 2HB TRP 49 17.007 4.127 -3.988
403 HB3 TRP 49 1HB TRP 49 16.584 5.777 -3.539
404 HD1 TRP 49 HD TRP 49 16.616 2.230 -2.247
405 HE1 TRP 49 1HE TRP 49 15.985 2.224 0.252
406 HE3 TRP 49 3HE TRP 49 15.160 7.088 -1.704
407 HZ2 TRP 49 2HZ TRP 49 14.988 4.049 2.224
408 HZ3 TRP 49 3HZ TRP 49 14.377 7.931 0.487
409 HH2 TRP 49 HH TRP 49 14.288 6.421 2.454
410 H ARG 50 H ARG 50 16.032 3.167 -6.095
411 HA ARG 50 HA ARG 50 14.477 0.747 -5.350
412 HB2 ARG 50 2HB ARG 50 13.793 1.673 -7.549
413 HB3 ARG 50 1HB ARG 50 15.458 1.524 -8.113
414 HG2 ARG 50 2HG ARG 50 15.367 -0.919 -7.659
415 HG3 ARG 50 1HG ARG 50 13.680 -0.747 -7.171
416 HD2 ARG 50 2HD ARG 50 14.762 0.032 -9.893
417 HD3 ARG 50 1HD ARG 50 13.944 -1.489 -9.548
418 HE ARG 50 HE ARG 50 12.706 1.142 -9.751
419 HH11 ARG 50 1HH1 ARG 50 10.433 1.135 -9.687
420 HH12 ARG 50 2HH1 ARG 50 9.587 -0.299 -9.214
421 HH21 ARG 50 1HH2 ARG 50 12.487 -2.155 -8.729
422 HH22 ARG 50 2HH2 ARG 50 10.755 -2.170 -8.667
Start of MODEL 18
1 H FME 1 H FME 1 -12.492 -4.765 1.045
2 HCN FME 1 HF FME 1 -12.704 -4.761 3.372
3 HA FME 1 HA FME 1 -9.723 -4.023 1.404
4 HB2 FME 1 1HB FME 1 -11.465 -4.215 -1.060
5 HB3 FME 1 2HB FME 1 -10.310 -5.417 -0.480
6 HG2 FME 1 1HG FME 1 -8.566 -3.491 -0.665
7 HG3 FME 1 2HG FME 1 -9.769 -2.709 -1.693
8 HE1 FME 1 1HE FME 1 -6.655 -3.924 -2.941
9 HE2 FME 1 2HE FME 1 -7.814 -2.605 -3.066
10 HE3 FME 1 3HE FME 1 -7.587 -3.699 -4.428
11 H ALA 2 H ALA 2 -12.736 -2.381 1.001
12 HA ALA 2 HA ALA 2 -11.795 0.051 -0.093
13 HB1 ALA 2 1HB ALA 2 -14.140 -0.359 1.779
14 HB2 ALA 2 2HB ALA 2 -14.193 -0.616 0.034
15 HB3 ALA 2 3HB ALA 2 -13.894 0.998 0.677
16 H GLY 3 H GLY 3 -12.121 -1.100 3.250
17 HA2 GLY 3 2HA GLY 3 -11.443 1.337 4.515
18 HA3 GLY 3 1HA GLY 3 -11.250 -0.266 5.226
19 H LEU 4 H LEU 4 -9.497 -1.367 3.369
20 HA LEU 4 HA LEU 4 -6.986 -0.560 4.315
21 HB2 LEU 4 2HB LEU 4 -7.582 -2.804 3.392
22 HB3 LEU 4 1HB LEU 4 -7.736 -2.095 1.796
23 HG LEU 4 HG LEU 4 -5.541 -3.376 2.547
24 HD11 LEU 4 1HD1 LEU 4 -4.244 -1.672 1.032
25 HD12 LEU 4 2HD1 LEU 4 -5.839 -0.954 0.810
26 HD13 LEU 4 3HD1 LEU 4 -5.565 -2.633 0.366
27 HD21 LEU 4 1HD2 LEU 4 -4.875 -0.555 3.423
28 HD22 LEU 4 2HD2 LEU 4 -3.793 -1.940 3.403
29 HD23 LEU 4 3HD2 LEU 4 -5.155 -1.898 4.520
30 H LEU 5 H LEU 5 -8.647 0.110 1.231
31 HA LEU 5 HA LEU 5 -6.573 1.638 0.068
32 HB2 LEU 5 2HB LEU 5 -9.556 1.634 -0.397
33 HB3 LEU 5 1HB LEU 5 -8.415 2.544 -1.386
34 HG LEU 5 HG LEU 5 -8.240 -0.447 -0.923
35 HD11 LEU 5 1HD1 LEU 5 -9.148 -0.667 -3.213
36 HD12 LEU 5 2HD1 LEU 5 -9.374 1.081 -3.290
37 HD13 LEU 5 3HD1 LEU 5 -10.303 0.121 -2.140
38 HD21 LEU 5 1HD2 LEU 5 -6.107 0.170 -1.612
39 HD22 LEU 5 2HD2 LEU 5 -6.687 1.566 -2.521
40 HD23 LEU 5 3HD2 LEU 5 -6.880 -0.057 -3.181
41 H ARG 6 H ARG 6 -9.388 2.573 2.039
42 HA ARG 6 HA ARG 6 -9.048 5.358 1.868
43 HB2 ARG 6 2HB ARG 6 -11.073 4.291 2.793
44 HB3 ARG 6 1HB ARG 6 -10.142 3.727 4.183
45 HG2 ARG 6 2HG ARG 6 -9.933 6.652 3.635
46 HG3 ARG 6 1HG ARG 6 -11.535 6.101 4.112
47 HD2 ARG 6 2HD ARG 6 -10.573 5.036 6.124
48 HD3 ARG 6 1HD ARG 6 -8.969 5.596 5.655
49 HE ARG 6 HE ARG 6 -10.855 7.752 5.809
50 HH11 ARG 6 1HH1 ARG 6 -10.643 9.188 7.549
51 HH12 ARG 6 2HH1 ARG 6 -9.682 8.743 8.918
52 HH21 ARG 6 1HH2 ARG 6 -8.826 5.641 7.674
53 HH22 ARG 6 2HH2 ARG 6 -8.666 6.756 8.991
54 H PHE 7 H PHE 7 -7.723 2.989 4.166
55 HA PHE 7 HA PHE 7 -6.428 4.771 5.879
56 HB2 PHE 7 2HB PHE 7 -6.794 2.382 6.335
57 HB3 PHE 7 1HB PHE 7 -5.631 1.966 5.078
58 HD1 PHE 7 1HD PHE 7 -3.286 2.031 5.496
59 HD2 PHE 7 2HD PHE 7 -6.031 3.716 8.335
60 HE1 PHE 7 1HE PHE 7 -1.441 2.274 7.132
61 HE2 PHE 7 2HE PHE 7 -4.183 3.959 9.978
62 HZ PHE 7 HZ PHE 7 -1.890 3.231 9.373
63 H LEU 8 H LEU 8 -5.269 3.123 2.942
64 HA LEU 8 HA LEU 8 -2.622 4.113 3.108
65 HB2 LEU 8 2HB LEU 8 -4.293 3.061 0.844
66 HB3 LEU 8 1HB LEU 8 -2.679 3.709 0.554
67 HG LEU 8 HG LEU 8 -3.054 1.684 2.747
68 HD11 LEU 8 1HD1 LEU 8 -4.160 0.603 0.881
69 HD12 LEU 8 2HD1 LEU 8 -2.537 -0.084 0.993
70 HD13 LEU 8 3HD1 LEU 8 -2.902 1.128 -0.237
71 HD21 LEU 8 1HD2 LEU 8 -0.759 1.274 2.401
72 HD22 LEU 8 2HD2 LEU 8 -0.882 3.011 2.132
73 HD23 LEU 8 3HD2 LEU 8 -0.802 1.908 0.759
74 H LEU 9 H LEU 9 -5.523 5.372 1.520
75 HA LEU 9 HA LEU 9 -4.299 7.558 0.238
76 HB2 LEU 9 2HB LEU 9 -6.703 6.508 0.031
77 HB3 LEU 9 1HB LEU 9 -7.112 7.695 1.264
78 HG LEU 9 HG LEU 9 -5.732 8.364 -1.346
79 HD11 LEU 9 1HD1 LEU 9 -7.859 9.108 -2.165
80 HD12 LEU 9 2HD1 LEU 9 -8.624 8.841 -0.599
81 HD13 LEU 9 3HD1 LEU 9 -8.086 7.467 -1.565
82 HD21 LEU 9 1HD2 LEU 9 -6.821 10.674 -0.543
83 HD22 LEU 9 2HD2 LEU 9 -5.230 10.165 0.017
84 HD23 LEU 9 3HD2 LEU 9 -6.643 9.924 1.045
85 H SER 10 H SER 10 -5.849 7.275 3.434
86 HA SER 10 HA SER 10 -5.636 9.976 4.163
87 HB2 SER 10 2HB SER 10 -7.029 8.357 5.387
88 HB3 SER 10 1HB SER 10 -5.577 7.522 5.935
89 HG SER 10 HG SER 10 -6.232 8.975 7.513
90 H LYS 11 H LYS 11 -3.349 7.260 4.552
91 HA LYS 11 HA LYS 11 -1.465 8.788 6.061
92 HB2 LYS 11 2HB LYS 11 -1.180 6.218 4.499
93 HB3 LYS 11 1HB LYS 11 0.112 6.910 5.476
94 HG2 LYS 11 2HG LYS 11 -2.627 6.180 6.558
95 HG3 LYS 11 1HG LYS 11 -1.222 5.121 6.646
96 HD2 LYS 11 2HD LYS 11 -0.053 7.157 7.794
97 HD3 LYS 11 1HD LYS 11 -1.695 7.741 8.059
98 HE2 LYS 11 2HE LYS 11 -2.269 5.591 9.172
99 HE3 LYS 11 1HE LYS 11 -0.598 5.066 8.961
100 HZ1 LYS 11 1HZ LYS 11 0.051 6.267 10.691
101 HZ2 LYS 11 2HZ LYS 11 -1.591 6.468 11.076
102 HZ3 LYS 11 3HZ LYS 11 -0.779 7.649 10.165
103 H GLY 12 H GLY 12 -1.728 7.999 2.594
104 HA2 GLY 12 2HA GLY 12 -0.283 10.378 1.920
105 HA3 GLY 12 1HA GLY 12 0.681 8.930 1.660
106 H ARG 13 H ARG 13 -0.040 10.671 -0.409
107 HA ARG 13 HA ARG 13 -2.265 9.469 -1.860
108 HB2 ARG 13 2HB ARG 13 -0.351 11.713 -2.556
109 HB3 ARG 13 1HB ARG 13 -1.608 11.127 -3.645
110 HG2 ARG 13 2HG ARG 13 -3.325 11.654 -1.964
111 HG3 ARG 13 1HG ARG 13 -2.073 12.219 -0.858
112 HD2 ARG 13 2HD ARG 13 -2.522 13.380 -3.617
113 HD3 ARG 13 1HD ARG 13 -3.200 14.067 -2.142
114 HE ARG 13 HE ARG 13 -0.431 13.758 -1.765
115 HH11 ARG 13 1HH1 ARG 13 0.954 15.547 -2.072
116 HH12 ARG 13 2HH1 ARG 13 0.403 16.904 -2.995
117 HH21 ARG 13 1HH2 ARG 13 -2.699 15.519 -3.676
118 HH22 ARG 13 2HH2 ARG 13 -1.668 16.892 -3.896
119 H ALA 14 H ALA 14 1.238 9.465 -1.812
120 HA ALA 14 HA ALA 14 1.664 8.215 -4.314
121 HB1 ALA 14 1HB ALA 14 3.434 7.737 -1.932
122 HB2 ALA 14 2HB ALA 14 3.341 9.340 -2.658
123 HB3 ALA 14 3HB ALA 14 3.880 7.963 -3.622
124 H LEU 15 H LEU 15 1.129 6.952 -1.051
125 HA LEU 15 HA LEU 15 1.560 4.236 -1.630
126 HB2 LEU 15 2HB LEU 15 -0.420 5.321 0.369
127 HB3 LEU 15 1HB LEU 15 0.437 3.787 0.424
128 HG LEU 15 HG LEU 15 1.840 6.470 0.476
129 HD11 LEU 15 1HD1 LEU 15 0.614 6.430 2.489
130 HD12 LEU 15 2HD1 LEU 15 2.208 5.809 2.927
131 HD13 LEU 15 3HD1 LEU 15 0.856 4.697 2.701
132 HD21 LEU 15 1HD2 LEU 15 3.399 4.845 -0.209
133 HD22 LEU 15 2HD2 LEU 15 2.682 3.594 0.803
134 HD23 LEU 15 3HD2 LEU 15 3.608 4.895 1.535
135 H TYR 16 H TYR 16 -1.343 6.257 -1.804
136 HA TYR 16 HA TYR 16 -3.213 4.254 -2.472
137 HB2 TYR 16 2HB TYR 16 -3.845 6.498 -1.728
138 HB3 TYR 16 1HB TYR 16 -3.147 7.191 -3.187
139 HD1 TYR 16 1HD TYR 16 -4.597 7.695 -4.905
140 HD2 TYR 16 2HD TYR 16 -5.562 4.469 -2.242
141 HE1 TYR 16 1HE TYR 16 -6.751 7.375 -6.077
142 HE2 TYR 16 2HE TYR 16 -7.717 4.139 -3.424
143 HH TYR 16 HH TYR 16 -8.968 4.740 -5.156
144 H ASN 17 H ASN 17 -1.211 6.391 -4.487
145 HA ASN 17 HA ASN 17 -2.200 5.536 -6.976
146 HB2 ASN 17 2HB ASN 17 -0.843 7.561 -6.741
147 HB3 ASN 17 1HB ASN 17 0.552 6.590 -6.272
148 HD21 ASN 17 1HD2 ASN 17 1.766 7.297 -8.163
149 HD22 ASN 17 2HD2 ASN 17 1.383 6.729 -9.715
150 H TRP 18 H TRP 18 0.503 4.362 -4.997
151 HA TRP 18 HA TRP 18 1.517 2.437 -6.768
152 HB2 TRP 18 2HB TRP 18 2.787 3.001 -4.808
153 HB3 TRP 18 1HB TRP 18 1.453 2.562 -3.745
154 HD1 TRP 18 HD TRP 18 1.098 0.060 -3.162
155 HE1 TRP 18 1HE TRP 18 2.471 -2.081 -3.594
156 HE3 TRP 18 3HE TRP 18 4.449 1.853 -6.551
157 HZ2 TRP 18 2HZ TRP 18 4.704 -2.928 -5.182
158 HZ3 TRP 18 3HZ TRP 18 6.196 0.376 -7.506
159 HH2 TRP 18 HH TRP 18 6.331 -2.008 -6.826
160 H ALA 19 H ALA 19 -0.968 2.148 -4.236
161 HA ALA 19 HA ALA 19 -1.419 -0.606 -4.543
162 HB1 ALA 19 1HB ALA 19 -3.102 1.655 -3.504
163 HB2 ALA 19 2HB ALA 19 -2.343 0.339 -2.612
164 HB3 ALA 19 3HB ALA 19 -3.754 0.021 -3.622
165 H LYS 20 H LYS 20 -2.904 2.184 -6.140
166 HA LYS 20 HA LYS 20 -4.885 0.761 -7.578
167 HB2 LYS 20 2HB LYS 20 -4.842 3.237 -7.282
168 HB3 LYS 20 1HB LYS 20 -3.478 3.312 -8.397
169 HG2 LYS 20 2HG LYS 20 -4.839 2.293 -10.170
170 HG3 LYS 20 1HG LYS 20 -6.200 2.148 -9.060
171 HD2 LYS 20 2HD LYS 20 -6.277 4.597 -8.814
172 HD3 LYS 20 1HD LYS 20 -4.903 4.754 -9.912
173 HE2 LYS 20 2HE LYS 20 -6.989 5.128 -11.141
174 HE3 LYS 20 1HE LYS 20 -6.231 3.635 -11.691
175 HZ1 LYS 20 1HZ LYS 20 -8.790 3.913 -10.767
176 HZ2 LYS 20 2HZ LYS 20 -7.963 3.192 -9.470
177 HZ3 LYS 20 3HZ LYS 20 -7.960 2.453 -11.000
178 H SER 21 H SER 21 -1.593 1.737 -8.399
179 HA SER 21 HA SER 21 -1.585 0.834 -11.061
180 HB2 SER 21 2HB SER 21 0.731 1.088 -9.137
181 HB3 SER 21 1HB SER 21 0.872 0.885 -10.880
182 HG SER 21 HG SER 21 0.964 3.066 -10.387
183 H HIS 22 H HIS 22 -0.684 -0.812 -8.053
184 HA HIS 22 HA HIS 22 -0.759 -3.383 -9.525
185 HB2 HIS 22 2HB HIS 22 1.335 -2.415 -7.575
186 HB3 HIS 22 1HB HIS 22 1.091 -4.125 -7.935
187 HD1 HIS 22 1HD HIS 22 2.051 -0.870 -9.603
188 HD2 HIS 22 2HD HIS 22 2.097 -4.956 -10.430
189 HE1 HIS 22 1HE HIS 22 3.363 -1.151 -11.749
190 HE2 HIS 22 2HE HIS 22 3.390 -3.637 -12.276
191 H VAL 23 H VAL 23 -2.887 -3.654 -8.714
192 HA VAL 23 HA VAL 23 -3.502 -3.559 -5.934
193 HB VAL 23 HB VAL 23 -5.555 -4.799 -6.589
194 HG11 VAL 23 1HG1 VAL 23 -5.749 -2.463 -6.784
195 HG12 VAL 23 2HG1 VAL 23 -6.218 -3.028 -8.388
196 HG13 VAL 23 3HG1 VAL 23 -4.598 -2.385 -8.119
197 HG21 VAL 23 1HG2 VAL 23 -4.541 -6.223 -8.322
198 HG22 VAL 23 2HG2 VAL 23 -4.201 -4.799 -9.307
199 HG23 VAL 23 3HG2 VAL 23 -5.870 -5.287 -9.007
200 H GLY 24 H GLY 24 -2.112 -5.966 -8.024
201 HA2 GLY 24 2HA GLY 24 -2.660 -8.284 -6.546
202 HA3 GLY 24 1HA GLY 24 -1.268 -8.057 -7.593
203 H LYS 25 H LYS 25 0.153 -6.098 -6.333
204 HA LYS 25 HA LYS 25 1.469 -7.556 -4.336
205 HB2 LYS 25 2HB LYS 25 1.579 -4.616 -5.023
206 HB3 LYS 25 1HB LYS 25 2.711 -5.439 -3.977
207 HG2 LYS 25 2HG LYS 25 2.223 -6.327 -6.801
208 HG3 LYS 25 1HG LYS 25 3.480 -5.178 -6.356
209 HD2 LYS 25 2HD LYS 25 4.254 -6.987 -4.644
210 HD3 LYS 25 1HD LYS 25 3.264 -8.095 -5.599
211 HE2 LYS 25 2HE LYS 25 4.502 -7.485 -7.636
212 HE3 LYS 25 1HE LYS 25 5.503 -6.374 -6.698
213 HZ1 LYS 25 1HZ LYS 25 6.829 -8.138 -6.446
214 HZ2 LYS 25 2HZ LYS 25 5.621 -9.249 -6.888
215 HZ3 LYS 25 3HZ LYS 25 5.699 -8.664 -5.296
216 H VAL 26 H VAL 26 -1.026 -5.070 -4.118
217 HA VAL 26 HA VAL 26 -0.899 -4.672 -1.309
218 HB VAL 26 HB VAL 26 -3.166 -4.337 -3.290
219 HG11 VAL 26 1HG1 VAL 26 -4.210 -4.586 -1.143
220 HG12 VAL 26 2HG1 VAL 26 -4.074 -2.844 -1.401
221 HG13 VAL 26 3HG1 VAL 26 -2.932 -3.672 -0.345
222 HG21 VAL 26 1HG2 VAL 26 -2.580 -1.920 -2.908
223 HG22 VAL 26 2HG2 VAL 26 -1.295 -2.844 -3.688
224 HG23 VAL 26 3HG2 VAL 26 -1.190 -2.462 -1.969
225 H TRP 27 H TRP 27 -2.828 -6.790 -3.383
226 HA TRP 27 HA TRP 27 -4.372 -8.054 -1.401
227 HB2 TRP 27 2HB TRP 27 -3.468 -8.936 -4.143
228 HB3 TRP 27 1HB TRP 27 -4.423 -9.991 -3.104
229 HD1 TRP 27 HD TRP 27 -4.907 -6.205 -3.249
230 HE1 TRP 27 1HE TRP 27 -7.279 -5.709 -4.135
231 HE3 TRP 27 3HE TRP 27 -6.366 -10.925 -4.498
232 HZ2 TRP 27 2HZ TRP 27 -9.519 -7.154 -5.227
233 HZ3 TRP 27 3HZ TRP 27 -8.610 -11.348 -5.454
234 HH2 TRP 27 HH TRP 27 -10.188 -9.471 -5.821
235 H GLU 28 H GLU 28 -1.248 -8.833 -2.801
236 HA GLU 28 HA GLU 28 -0.665 -11.248 -1.630
237 HB2 GLU 28 2HB GLU 28 0.804 -10.390 -3.310
238 HB3 GLU 28 1HB GLU 28 1.122 -8.924 -2.408
239 HG2 GLU 28 2HG GLU 28 3.054 -10.362 -2.246
240 HG3 GLU 28 1HG GLU 28 2.309 -10.305 -0.666
241 H TRP 29 H TRP 29 0.076 -7.953 -0.257
242 HA TRP 29 HA TRP 29 1.070 -9.283 2.131
243 HB2 TRP 29 2HB TRP 29 0.443 -6.362 1.728
244 HB3 TRP 29 1HB TRP 29 1.164 -7.057 3.179
245 HD1 TRP 29 HD TRP 29 3.444 -8.645 2.660
246 HE1 TRP 29 1HE TRP 29 5.346 -8.117 0.987
247 HE3 TRP 29 3HE TRP 29 1.098 -5.232 -0.233
248 HZ2 TRP 29 2HZ TRP 29 5.786 -6.462 -1.296
249 HZ3 TRP 29 3HZ TRP 29 2.233 -4.208 -2.141
250 HH2 TRP 29 HH TRP 29 4.580 -4.817 -2.688
251 H LEU 30 H LEU 30 -2.040 -7.954 1.213
252 HA LEU 30 HA LEU 30 -3.196 -7.944 3.797
253 HB2 LEU 30 2HB LEU 30 -4.249 -8.060 1.008
254 HB3 LEU 30 1HB LEU 30 -5.351 -8.537 2.294
255 HG LEU 30 HG LEU 30 -5.338 -6.056 1.568
256 HD11 LEU 30 1HD1 LEU 30 -4.913 -6.634 4.513
257 HD12 LEU 30 2HD1 LEU 30 -6.398 -7.012 3.642
258 HD13 LEU 30 3HD1 LEU 30 -5.872 -5.338 3.809
259 HD21 LEU 30 1HD2 LEU 30 -2.682 -6.110 1.876
260 HD22 LEU 30 2HD2 LEU 30 -3.101 -5.675 3.522
261 HD23 LEU 30 3HD2 LEU 30 -3.612 -4.655 2.182
262 H LYS 31 H LYS 31 -2.947 -10.540 1.365
263 HA LYS 31 HA LYS 31 -4.365 -12.488 2.881
264 HB2 LYS 31 2HB LYS 31 -2.253 -12.800 0.742
265 HB3 LYS 31 1HB LYS 31 -3.232 -14.120 1.377
266 HG2 LYS 31 2HG LYS 31 -4.433 -11.628 0.147
267 HG3 LYS 31 1HG LYS 31 -4.068 -13.075 -0.790
268 HD2 LYS 31 2HD LYS 31 -5.490 -14.330 0.984
269 HD3 LYS 31 1HD LYS 31 -6.094 -12.732 1.423
270 HE2 LYS 31 2HE LYS 31 -6.167 -13.882 -1.378
271 HE3 LYS 31 1HE LYS 31 -7.533 -13.858 -0.263
272 HZ1 LYS 31 1HZ LYS 31 -6.804 -11.867 -2.004
273 HZ2 LYS 31 2HZ LYS 31 -6.326 -11.289 -0.478
274 HZ3 LYS 31 3HZ LYS 31 -7.940 -11.751 -0.750
275 H SER 32 H SER 32 -0.930 -11.676 2.580
276 HA SER 32 HA SER 32 0.123 -13.749 4.145
277 HB2 SER 32 2HB SER 32 1.100 -10.910 3.789
278 HB3 SER 32 1HB SER 32 2.045 -12.216 4.501
279 HG SER 32 HG SER 32 0.905 -12.902 2.117
280 H GLY 33 H GLY 33 -1.191 -10.599 5.018
281 HA2 GLY 33 2HA GLY 33 -2.402 -10.274 7.061
282 HA3 GLY 33 1HA GLY 33 -1.378 -11.479 7.831
283 H ALA 34 H ALA 34 0.273 -9.279 5.785
284 HA ALA 34 HA ALA 34 1.844 -8.239 7.908
285 HB1 ALA 34 1HB ALA 34 1.708 -6.708 5.355
286 HB2 ALA 34 2HB ALA 34 2.258 -8.379 5.255
287 HB3 ALA 34 3HB ALA 34 3.109 -7.228 6.286
288 H THR 35 H THR 35 1.974 -6.068 8.686
289 HA THR 35 HA THR 35 -0.593 -4.924 9.227
290 HB THR 35 HB THR 35 0.833 -3.089 10.314
291 HG1 THR 35 1HG THR 35 2.805 -4.929 9.459
292 HG21 THR 35 1HG2 THR 35 -0.057 -4.819 11.684
293 HG22 THR 35 2HG2 THR 35 1.660 -4.736 12.078
294 HG23 THR 35 3HG2 THR 35 1.056 -6.013 11.019
295 H TYR 36 H TYR 36 -1.349 -2.852 8.664
296 HA TYR 36 HA TYR 36 -1.041 -2.148 5.951
297 HB2 TYR 36 2HB TYR 36 -2.039 -0.339 8.175
298 HB3 TYR 36 1HB TYR 36 -2.441 -0.247 6.460
299 HD1 TYR 36 1HD TYR 36 -3.228 -2.705 5.506
300 HD2 TYR 36 2HD TYR 36 -3.688 -1.243 9.518
301 HE1 TYR 36 1HE TYR 36 -5.107 -4.283 5.869
302 HE2 TYR 36 2HE TYR 36 -5.565 -2.812 9.875
303 HH TYR 36 HH TYR 36 -6.803 -4.827 7.249
304 H GLU 37 H GLU 37 0.446 -0.974 8.918
305 HA GLU 37 HA GLU 37 1.744 1.286 7.843
306 HB2 GLU 37 2HB GLU 37 1.426 0.910 10.243
307 HB3 GLU 37 1HB GLU 37 2.552 -0.446 10.181
308 HG2 GLU 37 2HG GLU 37 4.336 1.071 9.403
309 HG3 GLU 37 1HG GLU 37 3.203 2.422 9.452
310 H GLN 38 H GLN 38 2.860 -2.040 8.367
311 HA GLN 38 HA GLN 38 5.472 -1.636 7.408
312 HB2 GLN 38 2HB GLN 38 4.812 -3.601 8.695
313 HB3 GLN 38 1HB GLN 38 3.771 -4.142 7.381
314 HG2 GLN 38 2HG GLN 38 5.697 -4.368 5.903
315 HG3 GLN 38 1HG GLN 38 6.764 -3.719 7.150
316 HE21 GLN 38 1HE2 GLN 38 7.895 -5.362 8.193
317 HE22 GLN 38 2HE2 GLN 38 7.302 -6.926 8.482
318 H ILE 39 H ILE 39 2.460 -2.493 5.754
319 HA ILE 39 HA ILE 39 3.550 -3.024 3.218
320 HB ILE 39 HB ILE 39 0.831 -1.996 4.034
321 HG12 ILE 39 2HG1 ILE 39 1.659 -4.718 3.015
322 HG13 ILE 39 1HG1 ILE 39 1.674 -4.307 4.729
323 HG21 ILE 39 1HG2 ILE 39 0.964 -1.326 1.780
324 HG22 ILE 39 2HG2 ILE 39 0.230 -2.925 1.684
325 HG23 ILE 39 3HG2 ILE 39 1.948 -2.721 1.324
326 HD11 ILE 39 1HD1 ILE 39 -0.634 -4.113 4.846
327 HD12 ILE 39 2HD1 ILE 39 -0.464 -5.400 3.658
328 HD13 ILE 39 3HD1 ILE 39 -0.798 -3.755 3.127
329 H LYS 40 H LYS 40 2.263 0.108 4.558
330 HA LYS 40 HA LYS 40 2.893 1.422 2.089
331 HB2 LYS 40 2HB LYS 40 2.835 3.588 3.242
332 HB3 LYS 40 1HB LYS 40 1.361 2.622 3.504
333 HG2 LYS 40 2HG LYS 40 2.103 1.976 5.708
334 HG3 LYS 40 1HG LYS 40 3.681 2.730 5.459
335 HD2 LYS 40 2HD LYS 40 2.527 4.930 5.170
336 HD3 LYS 40 1HD LYS 40 1.000 4.145 5.554
337 HE2 LYS 40 2HE LYS 40 1.786 3.579 7.780
338 HE3 LYS 40 1HE LYS 40 3.397 4.193 7.404
339 HZ1 LYS 40 1HZ LYS 40 2.755 6.276 7.767
340 HZ2 LYS 40 2HZ LYS 40 1.363 5.632 8.494
341 HZ3 LYS 40 3HZ LYS 40 1.334 6.097 6.861
342 H GLU 41 H GLU 41 4.707 0.778 5.028
343 HA GLU 41 HA GLU 41 6.834 2.500 4.607
344 HB2 GLU 41 2HB GLU 41 6.515 1.189 6.649
345 HB3 GLU 41 1HB GLU 41 6.941 -0.274 5.758
346 HG2 GLU 41 2HG GLU 41 9.153 0.645 5.256
347 HG3 GLU 41 1HG GLU 41 8.737 2.146 6.083
348 H TRP 42 H TRP 42 6.423 -0.869 3.475
349 HA TRP 42 HA TRP 42 8.906 -0.897 2.107
350 HB2 TRP 42 2HB TRP 42 6.387 -2.483 1.587
351 HB3 TRP 42 1HB TRP 42 7.923 -2.771 0.786
352 HD1 TRP 42 HD TRP 42 9.859 -2.497 3.348
353 HE1 TRP 42 1HE TRP 42 9.864 -4.384 5.081
354 HE3 TRP 42 3HE TRP 42 5.290 -4.602 2.392
355 HZ2 TRP 42 2HZ TRP 42 8.170 -6.526 5.959
356 HZ3 TRP 42 3HZ TRP 42 4.523 -6.570 3.689
357 HH2 TRP 42 HH TRP 42 5.955 -7.534 5.470
358 H ILE 43 H ILE 43 5.647 0.004 1.122
359 HA ILE 43 HA ILE 43 6.205 0.334 -1.624
360 HB ILE 43 HB ILE 43 4.161 1.639 0.177
361 HG12 ILE 43 2HG1 ILE 43 3.831 -0.508 -1.940
362 HG13 ILE 43 1HG1 ILE 43 4.090 -0.869 -0.230
363 HG21 ILE 43 1HG2 ILE 43 4.581 1.806 -2.807
364 HG22 ILE 43 2HG2 ILE 43 4.395 3.128 -1.655
365 HG23 ILE 43 3HG2 ILE 43 3.011 2.111 -2.059
366 HD11 ILE 43 1HD1 ILE 43 2.043 0.144 0.404
367 HD12 ILE 43 2HD1 ILE 43 1.646 -0.772 -1.045
368 HD13 ILE 43 3HD1 ILE 43 1.874 0.974 -1.141
369 H GLU 44 H GLU 44 6.308 2.738 1.021
370 HA GLU 44 HA GLU 44 7.014 4.827 -0.736
371 HB2 GLU 44 2HB GLU 44 7.266 6.218 1.201
372 HB3 GLU 44 1HB GLU 44 5.849 5.185 1.424
373 HG2 GLU 44 2HG GLU 44 6.686 4.372 3.347
374 HG3 GLU 44 1HG GLU 44 8.122 3.794 2.516
375 H ASN 45 H ASN 45 8.979 2.497 1.162
376 HA ASN 45 HA ASN 45 11.449 3.796 0.753
377 HB2 ASN 45 2HB ASN 45 10.646 0.926 1.231
378 HB3 ASN 45 1HB ASN 45 12.330 1.372 0.951
379 HD21 ASN 45 1HD2 ASN 45 11.432 0.337 3.528
380 HD22 ASN 45 2HD2 ASN 45 11.574 1.598 4.658
381 H ALA 46 H ALA 46 9.634 1.410 -1.224
382 HA ALA 46 HA ALA 46 11.663 1.090 -3.180
383 HB1 ALA 46 1HB ALA 46 8.668 0.687 -3.289
384 HB2 ALA 46 2HB ALA 46 9.913 -0.542 -3.061
385 HB3 ALA 46 3HB ALA 46 9.752 0.272 -4.617
386 H LEU 47 H LEU 47 8.920 3.295 -2.890
387 HA LEU 47 HA LEU 47 9.098 4.513 -5.409
388 HB2 LEU 47 2HB LEU 47 7.329 4.720 -3.488
389 HB3 LEU 47 1HB LEU 47 8.340 6.059 -2.949
390 HG LEU 47 HG LEU 47 7.224 5.804 -5.764
391 HD11 LEU 47 1HD1 LEU 47 6.290 7.526 -3.450
392 HD12 LEU 47 2HD1 LEU 47 5.439 6.119 -4.089
393 HD13 LEU 47 3HD1 LEU 47 5.639 7.557 -5.089
394 HD21 LEU 47 1HD2 LEU 47 8.936 7.824 -4.333
395 HD22 LEU 47 2HD2 LEU 47 7.788 8.398 -5.543
396 HD23 LEU 47 3HD2 LEU 47 9.035 7.248 -5.997
397 H GLY 48 H GLY 48 10.657 5.368 -2.301
398 HA2 GLY 48 2HA GLY 48 11.963 7.705 -3.188
399 HA3 GLY 48 1HA GLY 48 12.453 6.712 -1.817
400 H TRP 49 H TRP 49 12.967 4.294 -3.158
401 HA TRP 49 HA TRP 49 15.621 4.651 -4.006
402 HB2 TRP 49 2HB TRP 49 14.904 2.517 -3.143
403 HB3 TRP 49 1HB TRP 49 13.716 2.342 -4.433
404 HD1 TRP 49 HD TRP 49 17.478 2.247 -3.777
405 HE1 TRP 49 1HE TRP 49 18.641 1.076 -5.757
406 HE3 TRP 49 3HE TRP 49 13.527 1.785 -6.990
407 HZ2 TRP 49 2HZ TRP 49 17.991 0.075 -8.350
408 HZ3 TRP 49 3HZ TRP 49 13.834 0.720 -9.209
409 HH2 TRP 49 HH TRP 49 16.059 -0.133 -9.892
410 H ARG 50 H ARG 50 12.611 4.303 -5.872
411 HA ARG 50 HA ARG 50 13.749 4.098 -8.433
412 HB2 ARG 50 2HB ARG 50 11.122 5.269 -7.503
413 HB3 ARG 50 1HB ARG 50 11.542 5.069 -9.203
414 HG2 ARG 50 2HG ARG 50 11.867 2.646 -8.840
415 HG3 ARG 50 1HG ARG 50 11.440 2.847 -7.144
416 HD2 ARG 50 2HD ARG 50 9.206 3.664 -7.790
417 HD3 ARG 50 1HD ARG 50 9.629 3.489 -9.488
418 HE ARG 50 HE ARG 50 9.059 1.320 -7.603
419 HH11 ARG 50 1HH1 ARG 50 8.715 -0.690 -8.590
420 HH12 ARG 50 2HH1 ARG 50 9.065 -0.896 -10.274
421 HH21 ARG 50 1HH2 ARG 50 10.162 2.355 -10.725
422 HH22 ARG 50 2HH2 ARG 50 9.892 0.816 -11.474
Start of MODEL 19
1 H FME 1 H FME 1 -12.190 -5.071 1.366
2 HCN FME 1 HF FME 1 -12.689 -4.257 3.499
3 HA FME 1 HA FME 1 -9.661 -3.985 1.251
4 HB2 FME 1 1HB FME 1 -11.628 -3.997 -1.052
5 HB3 FME 1 2HB FME 1 -10.734 -5.414 -0.505
6 HG2 FME 1 1HG FME 1 -8.610 -4.289 -0.969
7 HG3 FME 1 2HG FME 1 -9.468 -2.822 -1.443
8 HE1 FME 1 1HE FME 1 -7.917 -4.229 -4.664
9 HE2 FME 1 2HE FME 1 -7.511 -3.562 -3.082
10 HE3 FME 1 3HE FME 1 -8.614 -2.689 -4.142
11 H ALA 2 H ALA 2 -12.744 -2.342 0.944
12 HA ALA 2 HA ALA 2 -11.813 0.082 -0.143
13 HB1 ALA 2 1HB ALA 2 -14.116 -0.240 1.792
14 HB2 ALA 2 2HB ALA 2 -14.218 -0.622 0.072
15 HB3 ALA 2 3HB ALA 2 -13.897 1.033 0.591
16 H GLY 3 H GLY 3 -12.104 -1.012 3.217
17 HA2 GLY 3 2HA GLY 3 -11.407 1.403 4.488
18 HA3 GLY 3 1HA GLY 3 -11.203 -0.205 5.171
19 H LEU 4 H LEU 4 -9.457 -1.284 3.299
20 HA LEU 4 HA LEU 4 -6.961 -0.487 4.271
21 HB2 LEU 4 2HB LEU 4 -7.588 -2.709 3.301
22 HB3 LEU 4 1HB LEU 4 -7.651 -1.969 1.715
23 HG LEU 4 HG LEU 4 -5.513 -3.308 2.555
24 HD11 LEU 4 1HD1 LEU 4 -4.112 -1.747 1.079
25 HD12 LEU 4 2HD1 LEU 4 -5.589 -0.812 0.878
26 HD13 LEU 4 3HD1 LEU 4 -5.536 -2.490 0.361
27 HD21 LEU 4 1HD2 LEU 4 -4.822 -0.499 3.448
28 HD22 LEU 4 2HD2 LEU 4 -3.771 -1.906 3.455
29 HD23 LEU 4 3HD2 LEU 4 -5.153 -1.839 4.544
30 H LEU 5 H LEU 5 -8.586 0.206 1.197
31 HA LEU 5 HA LEU 5 -6.503 1.707 0.020
32 HB2 LEU 5 2HB LEU 5 -9.499 1.735 -0.390
33 HB3 LEU 5 1HB LEU 5 -8.369 2.635 -1.401
34 HG LEU 5 HG LEU 5 -8.255 -0.365 -0.958
35 HD11 LEU 5 1HD1 LEU 5 -9.107 -0.512 -3.289
36 HD12 LEU 5 2HD1 LEU 5 -9.317 1.239 -3.305
37 HD13 LEU 5 3HD1 LEU 5 -10.273 0.248 -2.205
38 HD21 LEU 5 1HD2 LEU 5 -6.847 0.055 -3.212
39 HD22 LEU 5 2HD2 LEU 5 -6.095 0.146 -1.622
40 HD23 LEU 5 3HD2 LEU 5 -6.583 1.624 -2.452
41 H ARG 6 H ARG 6 -9.308 2.647 1.980
42 HA ARG 6 HA ARG 6 -8.969 5.436 1.843
43 HB2 ARG 6 2HB ARG 6 -10.994 4.304 2.745
44 HB3 ARG 6 1HB ARG 6 -10.066 3.815 4.158
45 HG2 ARG 6 2HG ARG 6 -9.930 6.727 3.544
46 HG3 ARG 6 1HG ARG 6 -11.530 6.148 3.990
47 HD2 ARG 6 2HD ARG 6 -9.023 5.651 5.615
48 HD3 ARG 6 1HD ARG 6 -10.196 6.921 5.950
49 HE ARG 6 HE ARG 6 -11.645 4.551 5.847
50 HH11 ARG 6 1HH1 ARG 6 -12.101 3.386 7.755
51 HH12 ARG 6 2HH1 ARG 6 -11.094 3.595 9.147
52 HH21 ARG 6 1HH2 ARG 6 -9.005 5.901 7.604
53 HH22 ARG 6 2HH2 ARG 6 -9.336 5.031 9.065
54 H PHE 7 H PHE 7 -7.697 3.053 4.154
55 HA PHE 7 HA PHE 7 -6.426 4.846 5.889
56 HB2 PHE 7 2HB PHE 7 -6.775 2.421 6.331
57 HB3 PHE 7 1HB PHE 7 -5.548 2.053 5.121
58 HD1 PHE 7 1HD PHE 7 -3.247 2.103 5.651
59 HD2 PHE 7 2HD PHE 7 -6.095 3.833 8.365
60 HE1 PHE 7 1HE PHE 7 -1.469 2.346 7.363
61 HE2 PHE 7 2HE PHE 7 -4.312 4.077 10.075
62 HZ PHE 7 HZ PHE 7 -2.002 3.331 9.573
63 H LEU 8 H LEU 8 -5.216 3.191 2.959
64 HA LEU 8 HA LEU 8 -2.583 4.187 3.192
65 HB2 LEU 8 2HB LEU 8 -4.205 3.160 0.872
66 HB3 LEU 8 1HB LEU 8 -2.578 3.791 0.628
67 HG LEU 8 HG LEU 8 -3.080 1.720 2.761
68 HD11 LEU 8 1HD1 LEU 8 -4.065 0.862 0.661
69 HD12 LEU 8 2HD1 LEU 8 -2.608 -0.028 1.092
70 HD13 LEU 8 3HD1 LEU 8 -2.555 1.191 -0.182
71 HD21 LEU 8 1HD2 LEU 8 -0.849 3.096 2.229
72 HD22 LEU 8 2HD2 LEU 8 -0.657 1.864 0.986
73 HD23 LEU 8 3HD2 LEU 8 -0.783 1.397 2.682
74 H LEU 9 H LEU 9 -5.447 5.442 1.542
75 HA LEU 9 HA LEU 9 -4.212 7.647 0.288
76 HB2 LEU 9 2HB LEU 9 -6.625 6.591 0.057
77 HB3 LEU 9 1HB LEU 9 -7.034 7.809 1.266
78 HG LEU 9 HG LEU 9 -5.652 8.380 -1.372
79 HD11 LEU 9 1HD1 LEU 9 -8.510 8.873 -0.496
80 HD12 LEU 9 2HD1 LEU 9 -7.991 7.630 -1.634
81 HD13 LEU 9 3HD1 LEU 9 -7.810 9.334 -2.047
82 HD21 LEU 9 1HD2 LEU 9 -5.025 10.171 -0.023
83 HD22 LEU 9 2HD2 LEU 9 -6.468 10.057 0.984
84 HD23 LEU 9 3HD2 LEU 9 -6.571 10.760 -0.634
85 H SER 10 H SER 10 -5.801 7.325 3.468
86 HA SER 10 HA SER 10 -5.619 10.025 4.244
87 HB2 SER 10 2HB SER 10 -5.581 7.560 5.989
88 HB3 SER 10 1HB SER 10 -5.887 9.203 6.542
89 HG SER 10 HG SER 10 -7.422 8.581 4.409
90 H LYS 11 H LYS 11 -3.329 7.331 4.631
91 HA LYS 11 HA LYS 11 -1.477 8.877 6.175
92 HB2 LYS 11 2HB LYS 11 -1.109 6.336 4.572
93 HB3 LYS 11 1HB LYS 11 0.134 7.035 5.606
94 HG2 LYS 11 2HG LYS 11 -2.626 6.259 6.594
95 HG3 LYS 11 1HG LYS 11 -1.220 5.202 6.700
96 HD2 LYS 11 2HD LYS 11 -0.086 7.242 7.889
97 HD3 LYS 11 1HD LYS 11 -1.741 7.796 8.141
98 HE2 LYS 11 2HE LYS 11 -2.311 5.691 9.251
99 HE3 LYS 11 1HE LYS 11 -0.675 5.090 8.979
100 HZ1 LYS 11 1HZ LYS 11 0.196 6.855 10.336
101 HZ2 LYS 11 2HZ LYS 11 -0.995 6.020 11.214
102 HZ3 LYS 11 3HZ LYS 11 -1.346 7.533 10.528
103 H GLY 12 H GLY 12 -1.709 8.105 2.702
104 HA2 GLY 12 2HA GLY 12 -0.343 10.539 2.017
105 HA3 GLY 12 1HA GLY 12 0.663 9.121 1.760
106 H ARG 13 H ARG 13 -0.066 10.785 -0.338
107 HA ARG 13 HA ARG 13 -2.300 9.534 -1.734
108 HB2 ARG 13 2HB ARG 13 -1.944 11.981 -1.877
109 HB3 ARG 13 1HB ARG 13 -0.396 11.687 -2.671
110 HG2 ARG 13 2HG ARG 13 -1.553 10.476 -4.485
111 HG3 ARG 13 1HG ARG 13 -3.103 10.780 -3.696
112 HD2 ARG 13 2HD ARG 13 -2.636 13.237 -3.861
113 HD3 ARG 13 1HD ARG 13 -1.192 12.861 -4.792
114 HE ARG 13 HE ARG 13 -3.954 12.637 -5.706
115 HH11 ARG 13 1HH1 ARG 13 -4.182 12.261 -7.923
116 HH12 ARG 13 2HH1 ARG 13 -2.798 11.822 -8.871
117 HH21 ARG 13 1HH2 ARG 13 -0.612 11.885 -6.174
118 HH22 ARG 13 2HH2 ARG 13 -0.768 11.607 -7.876
119 H ALA 14 H ALA 14 1.201 9.559 -1.765
120 HA ALA 14 HA ALA 14 1.634 8.340 -4.269
121 HB1 ALA 14 1HB ALA 14 3.185 8.454 -1.694
122 HB2 ALA 14 2HB ALA 14 3.552 9.222 -3.237
123 HB3 ALA 14 3HB ALA 14 3.762 7.479 -3.047
124 H LEU 15 H LEU 15 1.057 7.003 -1.030
125 HA LEU 15 HA LEU 15 1.469 4.299 -1.644
126 HB2 LEU 15 2HB LEU 15 -0.536 5.434 0.330
127 HB3 LEU 15 1HB LEU 15 0.258 3.866 0.392
128 HG LEU 15 HG LEU 15 1.748 6.494 0.491
129 HD11 LEU 15 1HD1 LEU 15 0.694 4.720 2.694
130 HD12 LEU 15 2HD1 LEU 15 0.474 6.455 2.486
131 HD13 LEU 15 3HD1 LEU 15 2.054 5.817 2.944
132 HD21 LEU 15 1HD2 LEU 15 2.492 3.586 0.753
133 HD22 LEU 15 2HD2 LEU 15 3.473 4.841 1.505
134 HD23 LEU 15 3HD2 LEU 15 3.241 4.837 -0.238
135 H TYR 16 H TYR 16 -1.427 6.342 -1.805
136 HA TYR 16 HA TYR 16 -3.310 4.367 -2.508
137 HB2 TYR 16 2HB TYR 16 -3.976 6.584 -1.719
138 HB3 TYR 16 1HB TYR 16 -3.264 7.330 -3.146
139 HD1 TYR 16 1HD TYR 16 -4.666 7.813 -4.921
140 HD2 TYR 16 2HD TYR 16 -5.678 4.607 -2.257
141 HE1 TYR 16 1HE TYR 16 -6.792 7.481 -6.140
142 HE2 TYR 16 2HE TYR 16 -7.807 4.267 -3.471
143 HH TYR 16 HH TYR 16 -8.797 4.728 -5.634
144 H ASN 17 H ASN 17 -1.295 6.503 -4.500
145 HA ASN 17 HA ASN 17 -2.259 5.649 -7.017
146 HB2 ASN 17 2HB ASN 17 0.324 6.887 -6.099
147 HB3 ASN 17 1HB ASN 17 0.075 6.434 -7.784
148 HD21 ASN 17 1HD2 ASN 17 0.378 9.181 -7.031
149 HD22 ASN 17 2HD2 ASN 17 -1.102 9.969 -7.286
150 H TRP 18 H TRP 18 0.436 4.493 -5.008
151 HA TRP 18 HA TRP 18 1.492 2.592 -6.769
152 HB2 TRP 18 2HB TRP 18 2.722 3.151 -4.788
153 HB3 TRP 18 1HB TRP 18 1.373 2.693 -3.744
154 HD1 TRP 18 HD TRP 18 1.023 0.161 -3.216
155 HE1 TRP 18 1HE TRP 18 2.447 -1.946 -3.644
156 HE3 TRP 18 3HE TRP 18 4.426 2.064 -6.508
157 HZ2 TRP 18 2HZ TRP 18 4.728 -2.721 -5.198
158 HZ3 TRP 18 3HZ TRP 18 6.210 0.626 -7.449
159 HH2 TRP 18 HH TRP 18 6.365 -1.760 -6.798
160 H ALA 19 H ALA 19 -1.036 2.249 -4.286
161 HA ALA 19 HA ALA 19 -1.488 -0.508 -4.604
162 HB1 ALA 19 1HB ALA 19 -3.721 -0.007 -3.565
163 HB2 ALA 19 2HB ALA 19 -3.335 1.711 -3.688
164 HB3 ALA 19 3HB ALA 19 -2.352 0.656 -2.672
165 H LYS 20 H LYS 20 -2.979 2.301 -6.150
166 HA LYS 20 HA LYS 20 -4.924 0.912 -7.641
167 HB2 LYS 20 2HB LYS 20 -4.908 3.372 -7.284
168 HB3 LYS 20 1HB LYS 20 -3.520 3.493 -8.368
169 HG2 LYS 20 2HG LYS 20 -4.829 2.513 -10.192
170 HG3 LYS 20 1HG LYS 20 -6.212 2.322 -9.114
171 HD2 LYS 20 2HD LYS 20 -6.292 4.768 -8.784
172 HD3 LYS 20 1HD LYS 20 -4.920 4.959 -9.879
173 HE2 LYS 20 2HE LYS 20 -6.226 3.906 -11.696
174 HE3 LYS 20 1HE LYS 20 -7.599 3.740 -10.602
175 HZ1 LYS 20 1HZ LYS 20 -6.782 5.994 -12.098
176 HZ2 LYS 20 2HZ LYS 20 -6.783 6.376 -10.442
177 HZ3 LYS 20 3HZ LYS 20 -8.191 5.778 -11.179
178 H SER 21 H SER 21 -1.617 1.902 -8.435
179 HA SER 21 HA SER 21 -1.575 1.023 -11.104
180 HB2 SER 21 2HB SER 21 0.104 2.527 -10.138
181 HB3 SER 21 1HB SER 21 0.698 1.217 -9.121
182 HG SER 21 HG SER 21 1.915 1.408 -11.038
183 H HIS 22 H HIS 22 -0.686 -0.672 -8.101
184 HA HIS 22 HA HIS 22 -0.823 -3.216 -9.607
185 HB2 HIS 22 2HB HIS 22 1.362 -2.295 -7.742
186 HB3 HIS 22 1HB HIS 22 1.095 -3.996 -8.120
187 HD1 HIS 22 1HD HIS 22 2.002 -0.717 -9.787
188 HD2 HIS 22 2HD HIS 22 2.014 -4.797 -10.637
189 HE1 HIS 22 1HE HIS 22 3.248 -0.991 -11.975
190 HE2 HIS 22 2HE HIS 22 3.256 -3.473 -12.513
191 H VAL 23 H VAL 23 -2.891 -3.571 -8.729
192 HA VAL 23 HA VAL 23 -3.432 -3.496 -5.932
193 HB VAL 23 HB VAL 23 -5.499 -4.715 -6.535
194 HG11 VAL 23 1HG1 VAL 23 -6.248 -2.991 -8.321
195 HG12 VAL 23 2HG1 VAL 23 -4.618 -2.338 -8.170
196 HG13 VAL 23 3HG1 VAL 23 -5.687 -2.373 -6.768
197 HG21 VAL 23 1HG2 VAL 23 -4.538 -6.168 -8.289
198 HG22 VAL 23 2HG2 VAL 23 -4.262 -4.757 -9.311
199 HG23 VAL 23 3HG2 VAL 23 -5.908 -5.252 -8.914
200 H GLY 24 H GLY 24 -2.082 -5.876 -8.076
201 HA2 GLY 24 2HA GLY 24 -2.559 -8.220 -6.606
202 HA3 GLY 24 1HA GLY 24 -1.217 -7.971 -7.713
203 H LYS 25 H LYS 25 0.160 -5.917 -6.428
204 HA LYS 25 HA LYS 25 1.638 -7.389 -4.540
205 HB2 LYS 25 2HB LYS 25 1.585 -4.407 -5.089
206 HB3 LYS 25 1HB LYS 25 2.806 -5.241 -4.154
207 HG2 LYS 25 2HG LYS 25 2.164 -5.972 -6.996
208 HG3 LYS 25 1HG LYS 25 3.447 -4.849 -6.546
209 HD2 LYS 25 2HD LYS 25 4.231 -6.821 -4.960
210 HD3 LYS 25 1HD LYS 25 3.269 -7.811 -6.062
211 HE2 LYS 25 2HE LYS 25 5.369 -7.848 -7.074
212 HE3 LYS 25 1HE LYS 25 4.554 -6.547 -7.935
213 HZ1 LYS 25 1HZ LYS 25 6.928 -6.228 -6.881
214 HZ2 LYS 25 2HZ LYS 25 6.017 -5.860 -5.495
215 HZ3 LYS 25 3HZ LYS 25 5.803 -4.962 -6.921
216 H VAL 26 H VAL 26 -0.933 -5.002 -4.125
217 HA VAL 26 HA VAL 26 -0.718 -4.751 -1.294
218 HB VAL 26 HB VAL 26 -3.033 -4.315 -3.196
219 HG11 VAL 26 1HG1 VAL 26 -4.012 -3.008 -1.270
220 HG12 VAL 26 2HG1 VAL 26 -2.779 -3.724 -0.231
221 HG13 VAL 26 3HG1 VAL 26 -3.978 -4.754 -1.016
222 HG21 VAL 26 1HG2 VAL 26 -1.347 -2.282 -1.708
223 HG22 VAL 26 2HG2 VAL 26 -2.462 -1.991 -3.044
224 HG23 VAL 26 3HG2 VAL 26 -0.947 -2.843 -3.332
225 H TRP 27 H TRP 27 -2.654 -6.765 -3.444
226 HA TRP 27 HA TRP 27 -4.164 -8.142 -1.529
227 HB2 TRP 27 2HB TRP 27 -3.165 -8.932 -4.262
228 HB3 TRP 27 1HB TRP 27 -4.172 -9.993 -3.279
229 HD1 TRP 27 HD TRP 27 -4.960 -6.381 -2.801
230 HE1 TRP 27 1HE TRP 27 -7.155 -5.790 -4.010
231 HE3 TRP 27 3HE TRP 27 -5.617 -10.621 -5.566
232 HZ2 TRP 27 2HZ TRP 27 -8.947 -6.950 -5.905
233 HZ3 TRP 27 3HZ TRP 27 -7.578 -10.851 -7.065
234 HH2 TRP 27 HH TRP 27 -9.242 -9.022 -7.236
235 H GLU 28 H GLU 28 -1.012 -8.841 -2.950
236 HA GLU 28 HA GLU 28 -0.370 -11.275 -1.869
237 HB2 GLU 28 2HB GLU 28 0.990 -10.154 -3.555
238 HB3 GLU 28 1HB GLU 28 1.394 -8.869 -2.438
239 HG2 GLU 28 2HG GLU 28 3.271 -10.332 -2.547
240 HG3 GLU 28 1HG GLU 28 2.519 -10.584 -0.980
241 H TRP 29 H TRP 29 0.332 -8.008 -0.389
242 HA TRP 29 HA TRP 29 1.347 -9.406 1.962
243 HB2 TRP 29 2HB TRP 29 0.714 -6.492 1.570
244 HB3 TRP 29 1HB TRP 29 1.498 -7.173 3.004
245 HD1 TRP 29 HD TRP 29 3.671 -8.945 2.239
246 HE1 TRP 29 1HE TRP 29 5.499 -8.440 0.482
247 HE3 TRP 29 3HE TRP 29 1.398 -5.183 -0.297
248 HZ2 TRP 29 2HZ TRP 29 5.918 -6.665 -1.720
249 HZ3 TRP 29 3HZ TRP 29 2.496 -4.128 -2.210
250 HH2 TRP 29 HH TRP 29 4.756 -4.856 -2.935
251 H LEU 30 H LEU 30 -1.784 -8.053 1.108
252 HA LEU 30 HA LEU 30 -2.890 -8.077 3.705
253 HB2 LEU 30 2HB LEU 30 -4.055 -8.377 0.949
254 HB3 LEU 30 1HB LEU 30 -5.077 -8.596 2.368
255 HG LEU 30 HG LEU 30 -3.357 -6.144 1.882
256 HD11 LEU 30 1HD1 LEU 30 -6.358 -6.352 1.536
257 HD12 LEU 30 2HD1 LEU 30 -5.234 -6.555 0.191
258 HD13 LEU 30 3HD1 LEU 30 -5.300 -5.025 1.061
259 HD21 LEU 30 1HD2 LEU 30 -5.309 -5.346 3.577
260 HD22 LEU 30 2HD2 LEU 30 -3.797 -6.034 4.149
261 HD23 LEU 30 3HD2 LEU 30 -5.235 -7.047 4.037
262 H LYS 31 H LYS 31 -2.639 -10.626 1.237
263 HA LYS 31 HA LYS 31 -4.008 -12.630 2.702
264 HB2 LYS 31 2HB LYS 31 -3.545 -12.762 0.267
265 HB3 LYS 31 1HB LYS 31 -1.833 -12.981 0.629
266 HG2 LYS 31 2HG LYS 31 -2.368 -15.023 1.916
267 HG3 LYS 31 1HG LYS 31 -4.078 -14.804 1.543
268 HD2 LYS 31 2HD LYS 31 -3.593 -15.010 -0.863
269 HD3 LYS 31 1HD LYS 31 -1.877 -15.214 -0.508
270 HE2 LYS 31 2HE LYS 31 -2.919 -17.406 -0.859
271 HE3 LYS 31 1HE LYS 31 -2.428 -17.246 0.828
272 HZ1 LYS 31 1HZ LYS 31 -5.043 -16.219 0.400
273 HZ2 LYS 31 2HZ LYS 31 -4.519 -17.407 1.496
274 HZ3 LYS 31 3HZ LYS 31 -4.945 -17.838 -0.093
275 H SER 32 H SER 32 -0.589 -11.760 2.428
276 HA SER 32 HA SER 32 0.501 -13.829 3.985
277 HB2 SER 32 2HB SER 32 1.465 -10.983 3.659
278 HB3 SER 32 1HB SER 32 2.425 -12.322 4.279
279 HG SER 32 HG SER 32 2.632 -11.838 1.972
280 H GLY 33 H GLY 33 -0.776 -10.653 4.918
281 HA2 GLY 33 2HA GLY 33 -1.962 -10.441 7.023
282 HA3 GLY 33 1HA GLY 33 -0.826 -11.577 7.736
283 H ALA 34 H ALA 34 0.574 -9.267 5.624
284 HA ALA 34 HA ALA 34 2.158 -8.144 7.694
285 HB1 ALA 34 1HB ALA 34 3.323 -7.155 6.001
286 HB2 ALA 34 2HB ALA 34 1.867 -6.567 5.195
287 HB3 ALA 34 3HB ALA 34 2.379 -8.244 4.983
288 H THR 35 H THR 35 2.136 -6.005 8.548
289 HA THR 35 HA THR 35 -0.508 -5.018 9.095
290 HB THR 35 HB THR 35 0.799 -3.182 10.300
291 HG1 THR 35 1HG THR 35 3.018 -3.736 10.596
292 HG21 THR 35 1HG2 THR 35 1.351 -4.664 12.141
293 HG22 THR 35 2HG2 THR 35 1.442 -6.049 11.050
294 HG23 THR 35 3HG2 THR 35 -0.110 -5.266 11.356
295 H TYR 36 H TYR 36 -1.262 -2.855 8.706
296 HA TYR 36 HA TYR 36 -0.990 -2.025 6.036
297 HB2 TYR 36 2HB TYR 36 -1.958 -0.322 8.341
298 HB3 TYR 36 1HB TYR 36 -2.348 -0.127 6.631
299 HD1 TYR 36 1HD TYR 36 -3.150 -2.535 5.554
300 HD2 TYR 36 2HD TYR 36 -3.679 -1.248 9.615
301 HE1 TYR 36 1HE TYR 36 -5.062 -4.079 5.784
302 HE2 TYR 36 2HE TYR 36 -5.602 -2.801 9.849
303 HH TYR 36 HH TYR 36 -6.816 -4.648 7.079
304 H GLU 37 H GLU 37 0.479 -0.842 9.014
305 HA GLU 37 HA GLU 37 1.758 1.394 7.917
306 HB2 GLU 37 2HB GLU 37 1.486 1.031 10.329
307 HB3 GLU 37 1HB GLU 37 2.621 -0.321 10.243
308 HG2 GLU 37 2HG GLU 37 4.385 1.190 9.446
309 HG3 GLU 37 1HG GLU 37 3.254 2.543 9.489
310 H GLN 38 H GLN 38 2.966 -1.910 8.449
311 HA GLN 38 HA GLN 38 5.558 -1.536 7.440
312 HB2 GLN 38 2HB GLN 38 4.989 -3.485 8.716
313 HB3 GLN 38 1HB GLN 38 3.772 -3.965 7.536
314 HG2 GLN 38 2HG GLN 38 5.473 -4.365 5.868
315 HG3 GLN 38 1HG GLN 38 6.726 -3.718 6.929
316 HE21 GLN 38 1HE2 GLN 38 5.476 -6.593 5.852
317 HE22 GLN 38 2HE2 GLN 38 5.892 -7.587 7.163
318 H ILE 39 H ILE 39 2.539 -2.452 5.820
319 HA ILE 39 HA ILE 39 3.595 -2.967 3.276
320 HB ILE 39 HB ILE 39 0.884 -1.999 4.177
321 HG12 ILE 39 2HG1 ILE 39 1.748 -4.687 3.090
322 HG13 ILE 39 1HG1 ILE 39 1.781 -4.308 4.810
323 HG21 ILE 39 1HG2 ILE 39 0.933 -1.289 1.940
324 HG22 ILE 39 2HG2 ILE 39 0.260 -2.918 1.815
325 HG23 ILE 39 3HG2 ILE 39 1.960 -2.632 1.437
326 HD11 ILE 39 1HD1 ILE 39 -0.334 -5.469 3.883
327 HD12 ILE 39 2HD1 ILE 39 -0.720 -3.903 3.168
328 HD13 ILE 39 3HD1 ILE 39 -0.567 -4.061 4.920
329 H LYS 40 H LYS 40 2.281 0.156 4.646
330 HA LYS 40 HA LYS 40 2.834 1.456 2.152
331 HB2 LYS 40 2HB LYS 40 2.750 3.643 3.282
332 HB3 LYS 40 1HB LYS 40 1.290 2.649 3.561
333 HG2 LYS 40 2HG LYS 40 2.057 2.031 5.764
334 HG3 LYS 40 1HG LYS 40 3.623 2.799 5.493
335 HD2 LYS 40 2HD LYS 40 2.463 4.991 5.210
336 HD3 LYS 40 1HD LYS 40 0.934 4.197 5.581
337 HE2 LYS 40 2HE LYS 40 1.684 3.649 7.810
338 HE3 LYS 40 1HE LYS 40 3.313 4.233 7.462
339 HZ1 LYS 40 1HZ LYS 40 1.603 6.293 6.824
340 HZ2 LYS 40 2HZ LYS 40 2.624 6.199 8.179
341 HZ3 LYS 40 3HZ LYS 40 1.011 5.671 8.287
342 H GLU 41 H GLU 41 4.734 0.906 5.074
343 HA GLU 41 HA GLU 41 6.781 2.729 4.572
344 HB2 GLU 41 2HB GLU 41 6.584 1.418 6.649
345 HB3 GLU 41 1HB GLU 41 7.029 -0.037 5.765
346 HG2 GLU 41 2HG GLU 41 9.032 0.761 6.830
347 HG3 GLU 41 1HG GLU 41 9.192 1.153 5.120
348 H TRP 42 H TRP 42 6.414 -0.645 3.502
349 HA TRP 42 HA TRP 42 8.844 -0.741 2.043
350 HB2 TRP 42 2HB TRP 42 6.249 -2.242 1.630
351 HB3 TRP 42 1HB TRP 42 7.788 -2.667 0.890
352 HD1 TRP 42 HD TRP 42 8.868 -1.588 4.130
353 HE1 TRP 42 1HE TRP 42 9.031 -3.537 5.798
354 HE3 TRP 42 3HE TRP 42 6.113 -5.083 1.656
355 HZ2 TRP 42 2HZ TRP 42 8.102 -6.229 6.062
356 HZ3 TRP 42 3HZ TRP 42 5.741 -7.324 2.637
357 HH2 TRP 42 HH TRP 42 6.737 -7.904 4.838
358 H ILE 43 H ILE 43 5.546 0.148 1.138
359 HA ILE 43 HA ILE 43 6.075 0.481 -1.621
360 HB ILE 43 HB ILE 43 3.979 1.712 0.168
361 HG12 ILE 43 2HG1 ILE 43 3.763 -0.479 -1.922
362 HG13 ILE 43 1HG1 ILE 43 4.069 -0.815 -0.215
363 HG21 ILE 43 1HG2 ILE 43 4.171 3.174 -1.720
364 HG22 ILE 43 2HG2 ILE 43 2.819 2.100 -2.078
365 HG23 ILE 43 3HG2 ILE 43 4.390 1.823 -2.832
366 HD11 ILE 43 1HD1 ILE 43 1.625 -0.888 -0.928
367 HD12 ILE 43 2HD1 ILE 43 1.736 0.860 -1.160
368 HD13 ILE 43 3HD1 ILE 43 1.990 0.165 0.440
369 H GLU 44 H GLU 44 6.159 2.905 1.016
370 HA GLU 44 HA GLU 44 6.716 5.004 -0.778
371 HB2 GLU 44 2HB GLU 44 7.082 6.425 1.133
372 HB3 GLU 44 1HB GLU 44 5.659 5.413 1.418
373 HG2 GLU 44 2HG GLU 44 6.565 4.609 3.319
374 HG3 GLU 44 1HG GLU 44 7.970 4.021 2.440
375 H ASN 45 H ASN 45 8.825 2.747 1.014
376 HA ASN 45 HA ASN 45 11.257 4.101 0.472
377 HB2 ASN 45 2HB ASN 45 11.069 2.218 2.058
378 HB3 ASN 45 1HB ASN 45 10.707 1.135 0.716
379 HD21 ASN 45 1HD2 ASN 45 12.675 -0.123 1.095
380 HD22 ASN 45 2HD2 ASN 45 14.203 0.505 0.707
381 H ALA 46 H ALA 46 9.388 1.663 -1.347
382 HA ALA 46 HA ALA 46 11.238 1.338 -3.457
383 HB1 ALA 46 1HB ALA 46 8.243 0.960 -3.347
384 HB2 ALA 46 2HB ALA 46 9.484 -0.280 -3.172
385 HB3 ALA 46 3HB ALA 46 9.235 0.505 -4.733
386 H LEU 47 H LEU 47 8.467 3.505 -3.033
387 HA LEU 47 HA LEU 47 8.431 4.705 -5.555
388 HB2 LEU 47 2HB LEU 47 6.846 4.874 -3.441
389 HB3 LEU 47 1HB LEU 47 7.832 6.277 -3.070
390 HG LEU 47 HG LEU 47 5.977 7.100 -4.319
391 HD11 LEU 47 1HD1 LEU 47 8.309 7.854 -5.057
392 HD12 LEU 47 2HD1 LEU 47 6.992 8.140 -6.185
393 HD13 LEU 47 3HD1 LEU 47 8.092 6.791 -6.447
394 HD21 LEU 47 1HD2 LEU 47 5.021 6.111 -6.203
395 HD22 LEU 47 2HD2 LEU 47 5.520 4.698 -5.276
396 HD23 LEU 47 3HD2 LEU 47 6.498 5.254 -6.633
397 H GLY 48 H GLY 48 10.219 5.639 -2.582
398 HA2 GLY 48 2HA GLY 48 11.355 7.996 -3.630
399 HA3 GLY 48 1HA GLY 48 11.994 7.064 -2.278
400 H TRP 49 H TRP 49 12.486 4.620 -3.608
401 HA TRP 49 HA TRP 49 14.006 4.982 -5.995
402 HB2 TRP 49 2HB TRP 49 16.254 4.783 -5.107
403 HB3 TRP 49 1HB TRP 49 15.471 6.197 -4.400
404 HD1 TRP 49 HD TRP 49 14.478 5.900 -1.879
405 HE1 TRP 49 1HE TRP 49 15.321 4.437 0.069
406 HE3 TRP 49 3HE TRP 49 17.421 2.607 -4.450
407 HZ2 TRP 49 2HZ TRP 49 17.016 2.170 0.483
408 HZ3 TRP 49 3HZ TRP 49 18.637 0.811 -3.253
409 HH2 TRP 49 HH TRP 49 18.440 0.587 -0.792
410 H ARG 50 H ARG 50 12.327 3.125 -5.937
411 HA ARG 50 HA ARG 50 11.807 0.868 -5.645
412 HB2 ARG 50 2HB ARG 50 14.538 0.926 -6.942
413 HB3 ARG 50 1HB ARG 50 13.554 -0.533 -6.820
414 HG2 ARG 50 2HG ARG 50 11.724 0.591 -8.035
415 HG3 ARG 50 1HG ARG 50 12.704 2.052 -8.158
416 HD2 ARG 50 2HD ARG 50 14.408 0.800 -9.429
417 HD3 ARG 50 1HD ARG 50 13.422 -0.654 -9.313
418 HE ARG 50 HE ARG 50 12.895 1.675 -10.999
419 HH11 ARG 50 1HH1 ARG 50 11.275 1.340 -12.550
420 HH12 ARG 50 2HH1 ARG 50 10.271 -0.070 -12.458
421 HH21 ARG 50 1HH2 ARG 50 11.794 -1.296 -9.597
422 HH22 ARG 50 2HH2 ARG 50 10.567 -1.561 -10.790
Start of MODEL 20
1 H FME 1 H FME 1 -12.044 -4.867 1.313
2 HCN FME 1 HF FME 1 -11.841 -4.418 3.597
3 HA FME 1 HA FME 1 -9.433 -3.918 0.845
4 HB2 FME 1 1HB FME 1 -11.709 -3.868 -1.135
5 HB3 FME 1 2HB FME 1 -10.814 -5.334 -0.721
6 HG2 FME 1 1HG FME 1 -8.706 -4.185 -1.374
7 HG3 FME 1 2HG FME 1 -9.652 -2.778 -1.863
8 HE1 FME 1 1HE FME 1 -7.609 -4.983 -3.450
9 HE2 FME 1 2HE FME 1 -8.051 -3.399 -4.081
10 HE3 FME 1 3HE FME 1 -8.313 -4.838 -5.066
11 H ALA 2 H ALA 2 -12.594 -2.298 0.727
12 HA ALA 2 HA ALA 2 -11.694 0.168 -0.309
13 HB1 ALA 2 1HB ALA 2 -13.777 1.065 0.759
14 HB2 ALA 2 2HB ALA 2 -14.017 -0.519 1.497
15 HB3 ALA 2 3HB ALA 2 -14.042 -0.344 -0.260
16 H GLY 3 H GLY 3 -11.906 -1.090 2.980
17 HA2 GLY 3 2HA GLY 3 -11.277 1.306 4.341
18 HA3 GLY 3 1HA GLY 3 -11.039 -0.325 4.969
19 H LEU 4 H LEU 4 -9.266 -1.329 3.068
20 HA LEU 4 HA LEU 4 -6.779 -0.455 4.046
21 HB2 LEU 4 2HB LEU 4 -7.098 -2.684 3.104
22 HB3 LEU 4 1HB LEU 4 -7.465 -2.004 1.527
23 HG LEU 4 HG LEU 4 -5.105 -2.908 1.826
24 HD11 LEU 4 1HD1 LEU 4 -4.351 -1.478 0.233
25 HD12 LEU 4 2HD1 LEU 4 -4.669 -0.040 1.203
26 HD13 LEU 4 3HD1 LEU 4 -5.970 -0.804 0.311
27 HD21 LEU 4 1HD2 LEU 4 -4.987 -1.864 4.194
28 HD22 LEU 4 2HD2 LEU 4 -4.560 -0.371 3.364
29 HD23 LEU 4 3HD2 LEU 4 -3.535 -1.798 3.187
30 H LEU 5 H LEU 5 -8.461 0.260 0.995
31 HA LEU 5 HA LEU 5 -6.437 1.879 -0.142
32 HB2 LEU 5 2HB LEU 5 -9.442 1.862 -0.501
33 HB3 LEU 5 1HB LEU 5 -8.352 2.827 -1.493
34 HG LEU 5 HG LEU 5 -8.179 -0.182 -1.195
35 HD11 LEU 5 1HD1 LEU 5 -9.211 -0.314 -3.392
36 HD12 LEU 5 2HD1 LEU 5 -9.261 1.447 -3.519
37 HD13 LEU 5 3HD1 LEU 5 -10.269 0.620 -2.331
38 HD21 LEU 5 1HD2 LEU 5 -6.644 1.900 -2.723
39 HD22 LEU 5 2HD2 LEU 5 -6.862 0.307 -3.449
40 HD23 LEU 5 3HD2 LEU 5 -6.051 0.458 -1.893
41 H ARG 6 H ARG 6 -9.258 2.694 1.893
42 HA ARG 6 HA ARG 6 -8.974 5.488 1.867
43 HB2 ARG 6 2HB ARG 6 -10.941 4.239 2.794
44 HB3 ARG 6 1HB ARG 6 -9.945 3.800 4.189
45 HG2 ARG 6 2HG ARG 6 -9.546 6.493 4.185
46 HG3 ARG 6 1HG ARG 6 -11.135 6.442 3.437
47 HD2 ARG 6 2HD ARG 6 -11.945 5.054 5.342
48 HD3 ARG 6 1HD ARG 6 -10.355 5.211 6.092
49 HE ARG 6 HE ARG 6 -10.868 7.420 6.650
50 HH11 ARG 6 1HH1 ARG 6 -12.263 9.215 6.753
51 HH12 ARG 6 2HH1 ARG 6 -13.754 9.196 5.870
52 HH21 ARG 6 1HH2 ARG 6 -13.201 6.083 4.470
53 HH22 ARG 6 2HH2 ARG 6 -14.273 7.438 4.573
54 H PHE 7 H PHE 7 -7.612 3.042 4.034
55 HA PHE 7 HA PHE 7 -6.348 4.774 5.832
56 HB2 PHE 7 2HB PHE 7 -6.680 2.317 6.127
57 HB3 PHE 7 1HB PHE 7 -5.444 2.031 4.909
58 HD1 PHE 7 1HD PHE 7 -3.126 2.170 5.431
59 HD2 PHE 7 2HD PHE 7 -6.068 3.542 8.242
60 HE1 PHE 7 1HE PHE 7 -1.362 2.386 7.157
61 HE2 PHE 7 2HE PHE 7 -4.310 3.754 9.975
62 HZ PHE 7 HZ PHE 7 -1.958 3.180 9.440
63 H LEU 8 H LEU 8 -5.148 3.217 2.850
64 HA LEU 8 HA LEU 8 -2.522 4.223 3.078
65 HB2 LEU 8 2HB LEU 8 -4.127 3.188 0.746
66 HB3 LEU 8 1HB LEU 8 -2.507 3.845 0.510
67 HG LEU 8 HG LEU 8 -3.219 1.575 2.408
68 HD11 LEU 8 1HD1 LEU 8 -2.435 0.069 0.781
69 HD12 LEU 8 2HD1 LEU 8 -1.571 1.331 -0.105
70 HD13 LEU 8 3HD1 LEU 8 -3.335 1.246 -0.186
71 HD21 LEU 8 1HD2 LEU 8 -0.779 3.206 2.036
72 HD22 LEU 8 2HD2 LEU 8 -0.468 1.480 1.914
73 HD23 LEU 8 3HD2 LEU 8 -1.226 2.143 3.357
74 H LEU 9 H LEU 9 -5.399 5.501 1.499
75 HA LEU 9 HA LEU 9 -4.188 7.704 0.253
76 HB2 LEU 9 2HB LEU 9 -6.457 6.891 -0.229
77 HB3 LEU 9 1HB LEU 9 -6.993 7.463 1.346
78 HG LEU 9 HG LEU 9 -6.318 9.771 0.707
79 HD11 LEU 9 1HD1 LEU 9 -6.050 9.950 -1.941
80 HD12 LEU 9 2HD1 LEU 9 -5.433 8.309 -1.755
81 HD13 LEU 9 3HD1 LEU 9 -4.651 9.641 -0.908
82 HD21 LEU 9 1HD2 LEU 9 -8.270 8.259 -1.034
83 HD22 LEU 9 2HD2 LEU 9 -8.087 10.006 -1.149
84 HD23 LEU 9 3HD2 LEU 9 -8.620 9.275 0.368
85 H SER 10 H SER 10 -5.702 7.417 3.470
86 HA SER 10 HA SER 10 -5.458 10.132 4.181
87 HB2 SER 10 2HB SER 10 -5.716 9.327 6.499
88 HB3 SER 10 1HB SER 10 -6.883 8.578 5.408
89 HG SER 10 HG SER 10 -4.539 7.211 5.502
90 H LYS 11 H LYS 11 -3.242 7.385 4.482
91 HA LYS 11 HA LYS 11 -1.322 8.879 6.007
92 HB2 LYS 11 2HB LYS 11 -1.069 6.331 4.402
93 HB3 LYS 11 1HB LYS 11 0.215 6.991 5.414
94 HG2 LYS 11 2HG LYS 11 -2.555 6.320 6.457
95 HG3 LYS 11 1HG LYS 11 -1.187 5.209 6.541
96 HD2 LYS 11 2HD LYS 11 0.036 7.219 7.701
97 HD3 LYS 11 1HD LYS 11 -1.587 7.822 7.982
98 HE2 LYS 11 2HE LYS 11 -0.655 5.067 8.796
99 HE3 LYS 11 1HE LYS 11 -0.739 6.452 9.877
100 HZ1 LYS 11 1HZ LYS 11 -2.735 4.885 9.782
101 HZ2 LYS 11 2HZ LYS 11 -3.080 5.624 8.290
102 HZ3 LYS 11 3HZ LYS 11 -3.029 6.555 9.707
103 H GLY 12 H GLY 12 -1.615 8.109 2.555
104 HA2 GLY 12 2HA GLY 12 -0.199 10.489 1.797
105 HA3 GLY 12 1HA GLY 12 0.760 9.031 1.552
106 H ARG 13 H ARG 13 -0.053 10.701 -0.566
107 HA ARG 13 HA ARG 13 -2.328 9.446 -1.872
108 HB2 ARG 13 2HB ARG 13 -0.402 11.610 -2.715
109 HB3 ARG 13 1HB ARG 13 -1.734 11.037 -3.723
110 HG2 ARG 13 2HG ARG 13 -3.337 11.639 -1.946
111 HG3 ARG 13 1HG ARG 13 -2.000 12.223 -0.947
112 HD2 ARG 13 2HD ARG 13 -2.662 13.290 -3.705
113 HD3 ARG 13 1HD ARG 13 -3.170 14.051 -2.197
114 HE ARG 13 HE ARG 13 -0.477 14.025 -3.306
115 HH11 ARG 13 1HH1 ARG 13 1.027 15.309 -2.172
116 HH12 ARG 13 2HH1 ARG 13 0.628 15.909 -0.598
117 HH21 ARG 13 1HH2 ARG 13 -2.514 14.451 -0.541
118 HH22 ARG 13 2HH2 ARG 13 -1.378 15.432 0.320
119 H ALA 14 H ALA 14 1.170 9.408 -1.982
120 HA ALA 14 HA ALA 14 1.499 8.141 -4.478
121 HB1 ALA 14 1HB ALA 14 3.224 9.254 -2.864
122 HB2 ALA 14 2HB ALA 14 3.732 7.920 -3.894
123 HB3 ALA 14 3HB ALA 14 3.366 7.640 -2.188
124 H LEU 15 H LEU 15 1.091 6.806 -1.207
125 HA LEU 15 HA LEU 15 1.493 4.097 -1.885
126 HB2 LEU 15 2HB LEU 15 -0.363 5.116 0.263
127 HB3 LEU 15 1HB LEU 15 0.522 3.598 0.222
128 HG LEU 15 HG LEU 15 1.957 6.270 0.215
129 HD11 LEU 15 1HD1 LEU 15 0.907 4.677 2.546
130 HD12 LEU 15 2HD1 LEU 15 0.727 6.398 2.222
131 HD13 LEU 15 3HD1 LEU 15 2.297 5.754 2.698
132 HD21 LEU 15 1HD2 LEU 15 3.705 4.755 1.320
133 HD22 LEU 15 2HD2 LEU 15 3.411 4.492 -0.393
134 HD23 LEU 15 3HD2 LEU 15 2.714 3.401 0.803
135 H TYR 16 H TYR 16 -1.387 6.148 -1.846
136 HA TYR 16 HA TYR 16 -3.304 4.157 -2.390
137 HB2 TYR 16 2HB TYR 16 -3.978 6.360 -1.630
138 HB3 TYR 16 1HB TYR 16 -3.270 7.113 -3.057
139 HD1 TYR 16 1HD TYR 16 -4.458 7.228 -5.104
140 HD2 TYR 16 2HD TYR 16 -5.915 4.747 -1.915
141 HE1 TYR 16 1HE TYR 16 -6.568 6.868 -6.355
142 HE2 TYR 16 2HE TYR 16 -8.028 4.382 -3.164
143 HH TYR 16 HH TYR 16 -8.744 6.152 -6.122
144 H ASN 17 H ASN 17 -1.445 6.293 -4.538
145 HA ASN 17 HA ASN 17 -2.589 5.425 -6.960
146 HB2 ASN 17 2HB ASN 17 -1.211 7.444 -6.778
147 HB3 ASN 17 1HB ASN 17 0.207 6.461 -6.414
148 HD21 ASN 17 1HD2 ASN 17 1.414 6.898 -8.316
149 HD22 ASN 17 2HD2 ASN 17 0.889 6.466 -9.870
150 H TRP 18 H TRP 18 0.217 4.275 -5.136
151 HA TRP 18 HA TRP 18 1.165 2.340 -6.926
152 HB2 TRP 18 2HB TRP 18 2.584 2.942 -5.134
153 HB3 TRP 18 1HB TRP 18 1.317 2.681 -3.936
154 HD1 TRP 18 HD TRP 18 0.961 0.281 -3.015
155 HE1 TRP 18 1HE TRP 18 2.228 -1.946 -3.308
156 HE3 TRP 18 3HE TRP 18 4.029 1.532 -6.896
157 HZ2 TRP 18 2HZ TRP 18 4.286 -3.050 -4.982
158 HZ3 TRP 18 3HZ TRP 18 5.637 -0.114 -7.816
159 HH2 TRP 18 HH TRP 18 5.771 -2.403 -6.867
160 H ALA 19 H ALA 19 -1.168 2.051 -4.239
161 HA ALA 19 HA ALA 19 -1.642 -0.705 -4.465
162 HB1 ALA 19 1HB ALA 19 -3.906 -0.043 -3.384
163 HB2 ALA 19 2HB ALA 19 -3.228 1.585 -3.342
164 HB3 ALA 19 3HB ALA 19 -2.422 0.273 -2.486
165 H LYS 20 H LYS 20 -3.238 2.067 -5.989
166 HA LYS 20 HA LYS 20 -5.299 0.612 -7.273
167 HB2 LYS 20 2HB LYS 20 -5.295 3.085 -7.000
168 HB3 LYS 20 1HB LYS 20 -3.994 3.192 -8.187
169 HG2 LYS 20 2HG LYS 20 -5.418 2.147 -9.882
170 HG3 LYS 20 1HG LYS 20 -6.717 1.959 -8.705
171 HD2 LYS 20 2HD LYS 20 -6.806 4.414 -8.423
172 HD3 LYS 20 1HD LYS 20 -5.526 4.590 -9.623
173 HE2 LYS 20 2HE LYS 20 -7.703 4.942 -10.688
174 HE3 LYS 20 1HE LYS 20 -6.963 3.468 -11.304
175 HZ1 LYS 20 1HZ LYS 20 -8.894 3.475 -9.055
176 HZ2 LYS 20 2HZ LYS 20 -8.352 2.144 -9.961
177 HZ3 LYS 20 3HZ LYS 20 -9.371 3.300 -10.673
178 H SER 21 H SER 21 -2.079 1.635 -8.364
179 HA SER 21 HA SER 21 -2.245 0.680 -11.006
180 HB2 SER 21 2HB SER 21 0.226 0.808 -10.976
181 HB3 SER 21 1HB SER 21 -0.526 2.255 -10.303
182 HG SER 21 HG SER 21 -0.271 0.673 -8.282
183 H HIS 22 H HIS 22 -1.101 -0.938 -8.031
184 HA HIS 22 HA HIS 22 -1.154 -3.508 -9.512
185 HB2 HIS 22 2HB HIS 22 0.848 -2.525 -7.458
186 HB3 HIS 22 1HB HIS 22 0.693 -4.218 -7.935
187 HD1 HIS 22 1HD HIS 22 1.415 -0.814 -9.461
188 HD2 HIS 22 2HD HIS 22 1.933 -4.861 -10.310
189 HE1 HIS 22 1HE HIS 22 2.775 -0.932 -11.596
190 HE2 HIS 22 2HE HIS 22 3.086 -3.393 -12.135
191 H VAL 23 H VAL 23 -3.282 -3.835 -8.772
192 HA VAL 23 HA VAL 23 -4.033 -3.770 -6.030
193 HB VAL 23 HB VAL 23 -6.016 -5.030 -6.782
194 HG11 VAL 23 1HG1 VAL 23 -6.873 -3.338 -8.273
195 HG12 VAL 23 2HG1 VAL 23 -5.256 -2.935 -8.843
196 HG13 VAL 23 3HG1 VAL 23 -5.736 -2.531 -7.192
197 HG21 VAL 23 1HG2 VAL 23 -4.805 -6.513 -8.384
198 HG22 VAL 23 2HG2 VAL 23 -4.568 -5.129 -9.452
199 HG23 VAL 23 3HG2 VAL 23 -6.193 -5.723 -9.133
200 H GLY 24 H GLY 24 -2.371 -5.988 -8.035
201 HA2 GLY 24 2HA GLY 24 -2.811 -8.401 -6.650
202 HA3 GLY 24 1HA GLY 24 -1.408 -8.034 -7.651
203 H LYS 25 H LYS 25 -0.434 -5.788 -6.217
204 HA LYS 25 HA LYS 25 1.131 -7.064 -4.235
205 HB2 LYS 25 2HB LYS 25 0.630 -4.118 -4.739
206 HB3 LYS 25 1HB LYS 25 1.845 -4.738 -3.628
207 HG2 LYS 25 2HG LYS 25 1.787 -5.711 -6.469
208 HG3 LYS 25 1HG LYS 25 2.529 -4.164 -6.095
209 HD2 LYS 25 2HD LYS 25 4.018 -5.280 -4.445
210 HD3 LYS 25 1HD LYS 25 3.298 -6.835 -4.873
211 HE2 LYS 25 2HE LYS 25 5.333 -6.620 -6.146
212 HE3 LYS 25 1HE LYS 25 3.979 -6.413 -7.263
213 HZ1 LYS 25 1HZ LYS 25 5.502 -4.696 -7.715
214 HZ2 LYS 25 2HZ LYS 25 5.698 -4.310 -6.073
215 HZ3 LYS 25 3HZ LYS 25 4.234 -3.967 -6.862
216 H VAL 26 H VAL 26 -1.750 -5.041 -4.064
217 HA VAL 26 HA VAL 26 -1.920 -4.757 -1.267
218 HB VAL 26 HB VAL 26 -4.040 -4.767 -3.409
219 HG11 VAL 26 1HG1 VAL 26 -5.388 -3.597 -1.564
220 HG12 VAL 26 2HG1 VAL 26 -4.192 -4.232 -0.435
221 HG13 VAL 26 3HG1 VAL 26 -5.173 -5.339 -1.393
222 HG21 VAL 26 1HG2 VAL 26 -2.264 -2.970 -3.398
223 HG22 VAL 26 2HG2 VAL 26 -2.821 -2.506 -1.790
224 HG23 VAL 26 3HG2 VAL 26 -3.903 -2.355 -3.177
225 H TRP 27 H TRP 27 -3.294 -7.140 -3.484
226 HA TRP 27 HA TRP 27 -4.663 -8.682 -1.549
227 HB2 TRP 27 2HB TRP 27 -3.598 -9.300 -4.302
228 HB3 TRP 27 1HB TRP 27 -4.373 -10.539 -3.317
229 HD1 TRP 27 HD TRP 27 -5.196 -8.146 -5.872
230 HE1 TRP 27 1HE TRP 27 -7.702 -7.549 -5.875
231 HE3 TRP 27 3HE TRP 27 -6.552 -9.968 -1.289
232 HZ2 TRP 27 2HZ TRP 27 -9.984 -7.816 -4.169
233 HZ3 TRP 27 3HZ TRP 27 -8.899 -9.786 -0.509
234 HH2 TRP 27 HH TRP 27 -10.612 -8.712 -1.943
235 H GLU 28 H GLU 28 -1.374 -8.969 -2.893
236 HA GLU 28 HA GLU 28 -0.615 -11.345 -1.655
237 HB2 GLU 28 2HB GLU 28 0.619 -9.889 -3.438
238 HB3 GLU 28 1HB GLU 28 1.338 -9.093 -2.036
239 HG2 GLU 28 2HG GLU 28 1.382 -12.090 -2.504
240 HG3 GLU 28 1HG GLU 28 2.719 -11.000 -2.889
241 H TRP 29 H TRP 29 -0.294 -7.951 -0.446
242 HA TRP 29 HA TRP 29 1.030 -8.813 1.941
243 HB2 TRP 29 2HB TRP 29 -0.630 -6.315 1.851
244 HB3 TRP 29 1HB TRP 29 0.809 -6.642 2.796
245 HD1 TRP 29 HD TRP 29 -0.132 -4.589 0.105
246 HE1 TRP 29 1HE TRP 29 1.779 -4.096 -1.548
247 HE3 TRP 29 3HE TRP 29 3.168 -8.220 1.498
248 HZ2 TRP 29 2HZ TRP 29 4.390 -5.104 -2.168
249 HZ3 TRP 29 3HZ TRP 29 5.349 -8.407 0.386
250 HH2 TRP 29 HH TRP 29 5.976 -6.871 -1.445
251 H LEU 30 H LEU 30 -2.386 -8.280 1.116
252 HA LEU 30 HA LEU 30 -3.347 -8.542 3.762
253 HB2 LEU 30 2HB LEU 30 -4.672 -9.106 1.104
254 HB3 LEU 30 1HB LEU 30 -5.522 -9.172 2.653
255 HG LEU 30 HG LEU 30 -3.986 -6.755 1.672
256 HD11 LEU 30 1HD1 LEU 30 -6.434 -5.873 1.469
257 HD12 LEU 30 2HD1 LEU 30 -6.858 -7.580 1.375
258 HD13 LEU 30 3HD1 LEU 30 -5.775 -6.879 0.174
259 HD21 LEU 30 1HD2 LEU 30 -5.597 -7.415 4.107
260 HD22 LEU 30 2HD2 LEU 30 -5.711 -5.777 3.474
261 HD23 LEU 30 3HD2 LEU 30 -4.150 -6.422 3.961
262 H LYS 31 H LYS 31 -2.774 -10.956 1.231
263 HA LYS 31 HA LYS 31 -3.788 -13.185 2.639
264 HB2 LYS 31 2HB LYS 31 -3.212 -13.183 0.204
265 HB3 LYS 31 1HB LYS 31 -1.503 -13.134 0.647
266 HG2 LYS 31 2HG LYS 31 -1.693 -15.264 1.814
267 HG3 LYS 31 1HG LYS 31 -3.434 -15.304 1.530
268 HD2 LYS 31 2HD LYS 31 -2.999 -15.347 -0.929
269 HD3 LYS 31 1HD LYS 31 -1.267 -15.391 -0.596
270 HE2 LYS 31 2HE LYS 31 -3.279 -17.475 0.312
271 HE3 LYS 31 1HE LYS 31 -2.122 -17.665 -1.010
272 HZ1 LYS 31 1HZ LYS 31 -0.406 -17.030 0.769
273 HZ2 LYS 31 2HZ LYS 31 -1.030 -18.609 0.772
274 HZ3 LYS 31 3HZ LYS 31 -1.607 -17.462 1.884
275 H SER 32 H SER 32 -0.539 -11.735 2.494
276 HA SER 32 HA SER 32 0.757 -13.670 4.111
277 HB2 SER 32 2HB SER 32 2.515 -11.952 4.375
278 HB3 SER 32 1HB SER 32 1.999 -12.103 2.698
279 HG SER 32 HG SER 32 2.150 -9.909 3.533
280 H GLY 33 H GLY 33 -1.173 -10.840 4.856
281 HA2 GLY 33 2HA GLY 33 -2.299 -10.436 6.877
282 HA3 GLY 33 1HA GLY 33 -1.306 -11.667 7.647
283 H ALA 34 H ALA 34 0.174 -9.168 5.715
284 HA ALA 34 HA ALA 34 1.799 -8.324 7.928
285 HB1 ALA 34 1HB ALA 34 1.555 -7.586 5.041
286 HB2 ALA 34 2HB ALA 34 2.960 -8.167 5.932
287 HB3 ALA 34 3HB ALA 34 2.427 -6.501 6.121
288 H THR 35 H THR 35 2.055 -5.887 8.308
289 HA THR 35 HA THR 35 -0.571 -4.860 9.062
290 HB THR 35 HB THR 35 0.596 -3.424 10.535
291 HG1 THR 35 1HG THR 35 2.459 -3.535 8.562
292 HG21 THR 35 1HG2 THR 35 2.078 -4.892 11.744
293 HG22 THR 35 2HG2 THR 35 2.397 -5.848 10.298
294 HG23 THR 35 3HG2 THR 35 0.799 -5.887 11.044
295 H TYR 36 H TYR 36 -1.301 -2.759 8.508
296 HA TYR 36 HA TYR 36 -0.947 -1.978 5.829
297 HB2 TYR 36 2HB TYR 36 -1.974 -0.282 8.100
298 HB3 TYR 36 1HB TYR 36 -2.340 -0.095 6.384
299 HD1 TYR 36 1HD TYR 36 -3.096 -2.570 5.305
300 HD2 TYR 36 2HD TYR 36 -3.731 -1.196 9.328
301 HE1 TYR 36 1HE TYR 36 -4.997 -4.147 5.548
302 HE2 TYR 36 2HE TYR 36 -5.633 -2.775 9.568
303 HH TYR 36 HH TYR 36 -6.459 -5.064 6.965
304 H GLU 37 H GLU 37 0.456 -0.783 8.851
305 HA GLU 37 HA GLU 37 1.788 1.447 7.732
306 HB2 GLU 37 2HB GLU 37 1.437 1.192 10.162
307 HB3 GLU 37 1HB GLU 37 2.524 -0.195 10.175
308 HG2 GLU 37 2HG GLU 37 4.381 1.217 9.432
309 HG3 GLU 37 1HG GLU 37 3.310 2.611 9.327
310 H GLN 38 H GLN 38 3.021 -1.790 8.537
311 HA GLN 38 HA GLN 38 5.612 -1.412 7.608
312 HB2 GLN 38 2HB GLN 38 4.771 -3.336 8.903
313 HB3 GLN 38 1HB GLN 38 3.975 -3.940 7.458
314 HG2 GLN 38 2HG GLN 38 6.157 -3.981 6.302
315 HG3 GLN 38 1HG GLN 38 6.942 -3.460 7.781
316 HE21 GLN 38 1HE2 GLN 38 8.103 -5.335 8.340
317 HE22 GLN 38 2HE2 GLN 38 7.375 -6.844 8.624
318 H ILE 39 H ILE 39 2.708 -2.412 5.834
319 HA ILE 39 HA ILE 39 4.012 -3.007 3.409
320 HB ILE 39 HB ILE 39 1.168 -2.217 4.034
321 HG12 ILE 39 2HG1 ILE 39 2.229 -4.949 3.350
322 HG13 ILE 39 1HG1 ILE 39 2.327 -4.359 5.007
323 HG21 ILE 39 1HG2 ILE 39 2.422 -3.433 1.545
324 HG22 ILE 39 2HG2 ILE 39 1.661 -1.834 1.659
325 HG23 ILE 39 3HG2 ILE 39 0.684 -3.289 1.839
326 HD11 ILE 39 1HD1 ILE 39 -0.124 -3.881 4.912
327 HD12 ILE 39 2HD1 ILE 39 0.247 -5.600 4.749
328 HD13 ILE 39 3HD1 ILE 39 -0.182 -4.647 3.333
329 H LYS 40 H LYS 40 2.436 0.110 4.540
330 HA LYS 40 HA LYS 40 3.079 1.331 2.028
331 HB2 LYS 40 2HB LYS 40 2.887 3.563 3.141
332 HB3 LYS 40 1HB LYS 40 1.410 2.540 3.221
333 HG2 LYS 40 2HG LYS 40 1.844 1.929 5.497
334 HG3 LYS 40 1HG LYS 40 3.481 2.611 5.429
335 HD2 LYS 40 2HD LYS 40 2.538 4.858 5.090
336 HD3 LYS 40 1HD LYS 40 0.909 4.198 5.136
337 HE2 LYS 40 2HE LYS 40 2.808 3.758 7.428
338 HE3 LYS 40 1HE LYS 40 1.866 5.245 7.315
339 HZ1 LYS 40 1HZ LYS 40 0.854 3.320 8.610
340 HZ2 LYS 40 2HZ LYS 40 0.592 2.585 7.097
341 HZ3 LYS 40 3HZ LYS 40 -0.131 4.073 7.451
342 H GLU 41 H GLU 41 4.766 0.900 5.075
343 HA GLU 41 HA GLU 41 6.847 2.719 4.735
344 HB2 GLU 41 2HB GLU 41 6.504 1.419 6.804
345 HB3 GLU 41 1HB GLU 41 7.030 -0.035 5.955
346 HG2 GLU 41 2HG GLU 41 9.216 0.991 5.523
347 HG3 GLU 41 1HG GLU 41 8.693 2.468 6.312
348 H TRP 42 H TRP 42 6.616 -0.697 3.683
349 HA TRP 42 HA TRP 42 9.107 -0.814 2.364
350 HB2 TRP 42 2HB TRP 42 6.518 -2.255 1.702
351 HB3 TRP 42 1HB TRP 42 8.074 -2.632 0.983
352 HD1 TRP 42 HD TRP 42 9.775 -2.427 3.776
353 HE1 TRP 42 1HE TRP 42 9.540 -4.370 5.440
354 HE3 TRP 42 3HE TRP 42 5.347 -4.404 2.195
355 HZ2 TRP 42 2HZ TRP 42 7.711 -6.487 6.034
356 HZ3 TRP 42 3HZ TRP 42 4.365 -6.374 3.329
357 HH2 TRP 42 HH TRP 42 5.547 -7.421 5.249
358 H ILE 43 H ILE 43 5.893 0.102 1.232
359 HA ILE 43 HA ILE 43 6.558 0.437 -1.484
360 HB ILE 43 HB ILE 43 4.393 1.687 0.203
361 HG12 ILE 43 2HG1 ILE 43 4.273 -0.498 -1.888
362 HG13 ILE 43 1HG1 ILE 43 4.449 -0.822 -0.166
363 HG21 ILE 43 1HG2 ILE 43 4.811 1.761 -2.800
364 HG22 ILE 43 2HG2 ILE 43 4.741 3.151 -1.714
365 HG23 ILE 43 3HG2 ILE 43 3.297 2.184 -2.001
366 HD11 ILE 43 1HD1 ILE 43 2.292 -0.059 0.324
367 HD12 ILE 43 2HD1 ILE 43 2.048 -0.806 -1.258
368 HD13 ILE 43 3HD1 ILE 43 2.203 0.948 -1.126
369 H GLU 44 H GLU 44 6.466 2.868 1.118
370 HA GLU 44 HA GLU 44 7.165 4.945 -0.634
371 HB2 GLU 44 2HB GLU 44 7.313 6.366 1.286
372 HB3 GLU 44 1HB GLU 44 5.913 5.303 1.463
373 HG2 GLU 44 2HG GLU 44 6.694 4.554 3.434
374 HG3 GLU 44 1HG GLU 44 8.174 3.999 2.677
375 H ASN 45 H ASN 45 9.108 2.736 1.362
376 HA ASN 45 HA ASN 45 11.562 4.099 1.054
377 HB2 ASN 45 2HB ASN 45 11.275 2.276 2.678
378 HB3 ASN 45 1HB ASN 45 11.027 1.131 1.370
379 HD21 ASN 45 1HD2 ASN 45 13.490 3.452 2.607
380 HD22 ASN 45 2HD2 ASN 45 14.818 2.562 2.040
381 H ALA 46 H ALA 46 9.951 1.600 -0.937
382 HA ALA 46 HA ALA 46 12.064 1.258 -2.794
383 HB1 ALA 46 1HB ALA 46 9.078 0.870 -3.174
384 HB2 ALA 46 2HB ALA 46 10.210 -0.349 -2.585
385 HB3 ALA 46 3HB ALA 46 10.340 0.250 -4.240
386 H LEU 47 H LEU 47 9.239 3.392 -2.698
387 HA LEU 47 HA LEU 47 9.529 4.534 -5.250
388 HB2 LEU 47 2HB LEU 47 8.002 4.964 -2.801
389 HB3 LEU 47 1HB LEU 47 8.468 6.503 -3.496
390 HG LEU 47 HG LEU 47 7.541 5.669 -5.712
391 HD11 LEU 47 1HD1 LEU 47 7.617 3.274 -5.269
392 HD12 LEU 47 2HD1 LEU 47 5.934 3.752 -5.508
393 HD13 LEU 47 3HD1 LEU 47 6.547 3.470 -3.879
394 HD21 LEU 47 1HD2 LEU 47 5.555 5.692 -3.431
395 HD22 LEU 47 2HD2 LEU 47 5.244 6.134 -5.109
396 HD23 LEU 47 3HD2 LEU 47 6.284 7.149 -4.107
397 H GLY 48 H GLY 48 10.854 5.548 -2.073
398 HA2 GLY 48 2HA GLY 48 12.151 7.876 -2.981
399 HA3 GLY 48 1HA GLY 48 12.622 6.936 -1.572
400 H TRP 49 H TRP 49 13.229 4.496 -2.773
401 HA TRP 49 HA TRP 49 15.896 4.910 -3.640
402 HB2 TRP 49 2HB TRP 49 14.116 2.477 -3.878
403 HB3 TRP 49 1HB TRP 49 15.847 2.490 -4.216
404 HD1 TRP 49 HD TRP 49 15.285 4.808 -1.454
405 HE1 TRP 49 1HE TRP 49 15.820 3.712 0.808
406 HE3 TRP 49 3HE TRP 49 15.489 -0.093 -2.875
407 HZ2 TRP 49 2HZ TRP 49 16.269 1.096 1.887
408 HZ3 TRP 49 3HZ TRP 49 15.968 -1.865 -1.211
409 HH2 TRP 49 HH TRP 49 16.359 -1.278 1.165
410 H ARG 50 H ARG 50 12.912 4.257 -5.424
411 HA ARG 50 HA ARG 50 14.137 5.338 -7.823
412 HB2 ARG 50 2HB ARG 50 13.601 3.385 -9.212
413 HB3 ARG 50 1HB ARG 50 14.768 2.963 -7.957
414 HG2 ARG 50 2HG ARG 50 12.949 2.053 -6.569
415 HG3 ARG 50 1HG ARG 50 11.778 2.486 -7.811
416 HD2 ARG 50 2HD ARG 50 12.938 1.011 -9.417
417 HD3 ARG 50 1HD ARG 50 14.093 0.567 -8.164
418 HE ARG 50 HE ARG 50 12.443 -0.748 -7.151
419 HH11 ARG 50 1HH1 ARG 50 10.512 -1.889 -7.274
420 HH12 ARG 50 2HH1 ARG 50 9.300 -1.432 -8.424
421 HH21 ARG 50 1HH2 ARG 50 11.207 1.146 -9.777
422 HH22 ARG 50 2HH2 ARG 50 9.696 0.301 -9.852