Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
600848 | 2n5j RC | 25718 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 41 HN GLY 41 -0.392 -22.548 -3.028
2 HA2 GLY 41 2HA GLY 41 0.826 -22.074 -4.966
3 HA3 GLY 41 3HA GLY 41 0.031 -23.568 -5.439
4 HA PRO 42 HA PRO 42 -2.137 -21.565 -8.673
5 HB2 PRO 42 3HB PRO 42 -4.674 -22.581 -8.502
6 HB3 PRO 42 2HB PRO 42 -3.282 -23.522 -9.040
7 HG2 PRO 42 3HG PRO 42 -4.557 -23.394 -6.329
8 HG3 PRO 42 2HG PRO 42 -4.014 -24.835 -7.266
9 HD2 PRO 42 3HD PRO 42 -2.561 -23.779 -5.231
10 HD3 PRO 42 2HD PRO 42 -1.814 -24.528 -6.652
11 H HIS 43 HN HIS 43 -3.522 -21.286 -5.474
12 HA HIS 43 HA HIS 43 -4.792 -18.753 -6.286
13 HB2 HIS 43 3HB HIS 43 -6.209 -20.821 -5.432
14 HB3 HIS 43 2HB HIS 43 -5.704 -20.223 -3.848
15 HD1 HIS 43 1HD HIS 43 -5.856 -17.136 -4.879
16 HD2 HIS 43 2HD HIS 43 -8.863 -20.003 -4.934
17 HE1 HIS 43 1HE HIS 43 -8.015 -15.846 -4.920
18 HE2 HIS 43 2HE HIS 43 -9.854 -17.597 -4.954
19 H MET 44 HN MET 44 -2.055 -19.115 -5.433
20 HA MET 44 HA MET 44 -1.681 -18.468 -2.722
21 HB2 MET 44 3HB MET 44 0.090 -19.314 -4.252
22 HB3 MET 44 2HB MET 44 0.102 -17.734 -5.050
23 HG2 MET 44 3HG MET 44 1.931 -17.757 -3.543
24 HG3 MET 44 2HG MET 44 0.688 -16.713 -2.849
25 HE1 MET 44 3HE MET 44 3.172 -19.343 -0.999
26 HE2 MET 44 1HE MET 44 2.283 -20.680 -1.729
27 HE3 MET 44 2HE MET 44 2.918 -19.385 -2.744
28 H THR 45 HN THR 45 -2.942 -16.818 -1.979
29 HA THR 45 HA THR 45 -3.371 -14.378 -3.350
30 HB THR 45 HB THR 45 -3.635 -14.929 -0.387
31 HG1 THR 45 1HG THR 45 -5.647 -14.992 -2.403
32 HG21 THR 45 3HG2 THR 45 -4.814 -12.761 -2.128
33 HG22 THR 45 1HG2 THR 45 -3.601 -12.547 -0.867
34 HG23 THR 45 2HG2 THR 45 -5.237 -13.051 -0.441
35 H SER 46 HN SER 46 -2.037 -12.724 -3.624
36 HA SER 46 HA SER 46 0.396 -12.568 -2.016
37 HB2 SER 46 1HB SER 46 -0.446 -11.121 -4.547
38 HB3 SER 46 2HB SER 46 1.103 -10.878 -3.718
39 HG SER 46 HG SER 46 1.655 -12.432 -5.068
40 H GLU 47 HN GLU 47 -0.515 -11.771 -0.081
41 HA GLU 47 HA GLU 47 -2.203 -9.605 0.221
42 HB2 GLU 47 3HB GLU 47 -1.129 -9.313 2.474
43 HB3 GLU 47 2HB GLU 47 -1.686 -10.956 2.119
44 HG2 GLU 47 3HG GLU 47 0.661 -11.524 1.449
45 HG3 GLU 47 2HG GLU 47 1.141 -9.936 2.063
46 HE2 GLU 47 HE GLU 47 1.579 -12.241 4.786
47 H LEU 48 HN LEU 48 1.345 -9.614 0.054
48 HA LEU 48 HA LEU 48 1.815 -6.917 0.476
49 HB2 LEU 48 3HB LEU 48 3.883 -7.251 -0.884
50 HB3 LEU 48 2HB LEU 48 3.641 -8.433 0.414
51 HG LEU 48 HG LEU 48 2.568 -9.826 -1.589
52 HD11 LEU 48 1HD1 LEU 48 3.302 -9.345 -3.677
53 HD12 LEU 48 2HD1 LEU 48 4.800 -8.611 -3.105
54 HD13 LEU 48 3HD1 LEU 48 3.289 -7.704 -3.030
55 HD21 LEU 48 3HD2 LEU 48 4.285 -10.755 -0.281
56 HD22 LEU 48 1HD2 LEU 48 5.454 -9.543 -0.804
57 HD23 LEU 48 2HD2 LEU 48 4.902 -10.780 -1.933
58 H GLN 49 HN GLN 49 0.776 -8.581 -2.436
59 HA GLN 49 HA GLN 49 1.101 -6.321 -4.158
60 HB2 GLN 49 3HB GLN 49 -0.067 -9.050 -4.378
61 HB3 GLN 49 2HB GLN 49 -0.614 -7.833 -5.540
62 HG2 GLN 49 3HG GLN 49 2.311 -8.293 -5.071
63 HG3 GLN 49 2HG GLN 49 1.381 -9.339 -6.153
64 HE21 GLN 49 1HE2 GLN 49 2.933 -6.331 -5.770
65 HE22 GLN 49 2HE2 GLN 49 2.567 -5.679 -7.327
66 H MET 50 HN MET 50 -1.767 -7.942 -2.791
67 HA MET 50 HA MET 50 -3.702 -6.199 -3.726
68 HB2 MET 50 3HB MET 50 -4.064 -8.386 -2.525
69 HB3 MET 50 2HB MET 50 -3.757 -7.521 -1.011
70 HG2 MET 50 3HG MET 50 -5.647 -5.924 -1.876
71 HG3 MET 50 2HG MET 50 -6.077 -7.321 -2.867
72 HE1 MET 50 3HE MET 50 -5.934 -9.619 -1.927
73 HE2 MET 50 1HE MET 50 -5.465 -9.888 -0.248
74 HE3 MET 50 2HE MET 50 -7.160 -10.012 -0.720
75 H LYS 51 HN LYS 51 -1.427 -5.793 -1.126
76 HA LYS 51 HA LYS 51 -2.640 -3.773 0.349
77 HB2 LYS 51 3HB LYS 51 0.238 -4.434 -0.232
78 HB3 LYS 51 2HB LYS 51 -0.197 -3.045 0.777
79 HG2 LYS 51 3HG LYS 51 -1.427 -5.660 1.462
80 HG3 LYS 51 2HG LYS 51 0.302 -5.445 1.793
81 HD2 LYS 51 3HD LYS 51 -0.642 -4.714 3.774
82 HD3 LYS 51 2HD LYS 51 -0.454 -3.198 2.875
83 HE2 LYS 51 3HE LYS 51 -2.739 -3.070 2.355
84 HE3 LYS 51 2HE LYS 51 -2.996 -4.783 2.717
85 HZ1 LYS 51 3HZ LYS 51 -3.021 -4.404 4.967
86 HZ2 LYS 51 1HZ LYS 51 -3.742 -2.981 4.401
87 HZ3 LYS 51 2HZ LYS 51 -2.115 -2.978 4.864
88 H VAL 52 HN VAL 52 -0.718 -3.576 -2.610
89 HA VAL 52 HA VAL 52 -0.910 -0.687 -2.691
90 HB VAL 52 HB VAL 52 0.190 -2.619 -4.737
91 HG11 VAL 52 1HG1 VAL 52 1.351 -0.097 -5.046
92 HG12 VAL 52 2HG1 VAL 52 0.199 -0.883 -6.127
93 HG13 VAL 52 3HG1 VAL 52 -0.376 0.202 -4.861
94 HG21 VAL 52 3HG2 VAL 52 2.134 -2.618 -3.634
95 HG22 VAL 52 1HG2 VAL 52 2.062 -0.880 -3.344
96 HG23 VAL 52 2HG2 VAL 52 1.222 -1.991 -2.261
97 H ASP 53 HN ASP 53 -2.131 -3.431 -4.592
98 HA ASP 53 HA ASP 53 -3.534 -2.065 -6.536
99 HB2 ASP 53 3HB ASP 53 -3.194 -4.547 -6.407
100 HB3 ASP 53 2HB ASP 53 -4.475 -4.602 -5.188
101 HD2 ASP 53 HD ASP 53 -5.536 -4.639 -8.895
102 H PHE 54 HN PHE 54 -4.331 -2.549 -3.179
103 HA PHE 54 HA PHE 54 -7.074 -1.929 -3.289
104 HB2 PHE 54 3HB PHE 54 -6.053 -2.976 -1.332
105 HB3 PHE 54 2HB PHE 54 -5.092 -1.525 -1.040
106 HD1 PHE 54 1HD PHE 54 -8.491 -2.918 -0.949
107 HD2 PHE 54 2HD PHE 54 -6.011 0.405 0.012
108 HE1 PHE 54 1HE PHE 54 -10.287 -1.987 0.451
109 HE2 PHE 54 2HE PHE 54 -7.803 1.341 1.414
110 HZ PHE 54 HZ PHE 54 -9.944 0.144 1.636
111 H PHE 55 HN PHE 55 -4.585 0.189 -1.880
112 HA PHE 55 HA PHE 55 -6.069 2.530 -2.004
113 HB2 PHE 55 3HB PHE 55 -3.116 1.972 -1.909
114 HB3 PHE 55 2HB PHE 55 -3.703 3.629 -2.046
115 HD1 PHE 55 1HD PHE 55 -5.007 4.663 -0.253
116 HD2 PHE 55 2HD PHE 55 -3.360 0.759 0.152
117 HE1 PHE 55 1HE PHE 55 -5.348 4.775 2.182
118 HE2 PHE 55 2HE PHE 55 -3.700 0.864 2.586
119 HZ PHE 55 HZ PHE 55 -4.696 2.873 3.604
120 H ARG 56 HN ARG 56 -4.333 0.873 -4.494
121 HA ARG 56 HA ARG 56 -3.885 2.965 -6.297
122 HB2 ARG 56 3HB ARG 56 -4.260 0.002 -6.581
123 HB3 ARG 56 2HB ARG 56 -4.158 1.019 -8.025
124 HG2 ARG 56 3HG ARG 56 -2.043 1.540 -6.066
125 HG3 ARG 56 2HG ARG 56 -2.034 -0.100 -6.737
126 HD2 ARG 56 3HD ARG 56 -2.026 2.477 -8.326
127 HD3 ARG 56 2HD ARG 56 -0.650 1.394 -8.075
128 HE ARG 56 HE ARG 56 -2.814 1.038 -9.929
129 HH11 ARG 56 1HH1 ARG 56 -0.341 -0.566 -8.077
130 HH12 ARG 56 2HH1 ARG 56 -0.261 -1.940 -9.129
131 HH21 ARG 56 1HH2 ARG 56 -2.718 -0.766 -11.322
132 HH22 ARG 56 2HH2 ARG 56 -1.613 -2.052 -10.975
133 H LYS 57 HN LYS 57 -6.778 1.236 -5.461
134 HA LYS 57 HA LYS 57 -8.244 2.326 -7.736
135 HB2 LYS 57 3HB LYS 57 -9.938 0.819 -7.262
136 HB3 LYS 57 2HB LYS 57 -8.495 -0.067 -6.738
137 HG2 LYS 57 3HG LYS 57 -9.132 1.188 -4.435
138 HG3 LYS 57 2HG LYS 57 -10.738 0.997 -5.159
139 HD2 LYS 57 3HD LYS 57 -8.729 -1.226 -4.740
140 HD3 LYS 57 2HD LYS 57 -10.144 -0.907 -3.722
141 HE2 LYS 57 3HE LYS 57 -10.178 -1.655 -6.657
142 HE3 LYS 57 2HE LYS 57 -10.618 -2.697 -5.296
143 HZ1 LYS 57 3HZ LYS 57 -12.293 -0.789 -4.798
144 HZ2 LYS 57 1HZ LYS 57 -12.655 -1.948 -5.976
145 HZ3 LYS 57 2HZ LYS 57 -12.085 -0.424 -6.437
146 H LEU 58 HN LEU 58 -7.670 2.961 -4.405
147 HA LEU 58 HA LEU 58 -10.005 4.351 -3.720
148 HB2 LEU 58 3HB LEU 58 -7.214 4.231 -2.723
149 HB3 LEU 58 2HB LEU 58 -8.178 5.639 -2.245
150 HG LEU 58 HG LEU 58 -8.198 3.843 -0.559
151 HD11 LEU 58 1HD1 LEU 58 -10.980 3.844 -1.550
152 HD12 LEU 58 2HD1 LEU 58 -10.231 5.420 -1.298
153 HD13 LEU 58 3HD1 LEU 58 -10.336 4.271 0.035
154 HD21 LEU 58 3HD2 LEU 58 -9.543 1.804 -1.067
155 HD22 LEU 58 1HD2 LEU 58 -8.007 1.893 -1.928
156 HD23 LEU 58 2HD2 LEU 58 -9.511 2.269 -2.769
157 H GLY 59 HN GLY 59 -7.407 5.191 -5.803
158 HA2 GLY 59 2HA GLY 59 -7.892 7.018 -7.373
159 HA3 GLY 59 3HA GLY 59 -8.489 7.934 -5.997
160 H TYR 60 HN TYR 60 -5.668 6.038 -5.496
161 HA TYR 60 HA TYR 60 -4.096 8.486 -5.239
162 HB2 TYR 60 3HB TYR 60 -3.785 5.671 -4.222
163 HB3 TYR 60 2HB TYR 60 -2.414 6.783 -4.222
164 HD1 TYR 60 1HD TYR 60 -2.752 9.072 -3.055
165 HD2 TYR 60 2HD TYR 60 -5.265 5.700 -2.408
166 HE1 TYR 60 1HE TYR 60 -3.502 10.047 -0.926
167 HE2 TYR 60 2HE TYR 60 -6.023 6.667 -0.277
168 HH TYR 60 HH TYR 60 -5.290 9.913 0.633
169 H SER 61 HN SER 61 -1.592 7.886 -5.670
170 HA SER 61 HA SER 61 -1.513 7.141 -8.508
171 HB2 SER 61 1HB SER 61 -0.604 9.404 -7.408
172 HB3 SER 61 2HB SER 61 0.836 8.398 -7.174
173 HG SER 61 HG SER 61 -0.462 8.555 -9.677
174 H SER 62 HN SER 62 -0.277 5.498 -9.253
175 HA SER 62 HA SER 62 0.418 3.378 -7.606
176 HB2 SER 62 1HB SER 62 0.134 3.513 -10.203
177 HB3 SER 62 2HB SER 62 1.876 3.842 -10.190
178 HG SER 62 HG SER 62 1.332 1.584 -10.377
179 H SER 63 HN SER 63 2.425 6.014 -8.840
180 HA SER 63 HA SER 63 4.888 5.044 -7.856
181 HB2 SER 63 1HB SER 63 4.929 6.728 -9.558
182 HB3 SER 63 2HB SER 63 3.955 7.830 -8.569
183 HG SER 63 HG SER 63 6.488 7.891 -8.685
184 H GLU 64 HN GLU 64 2.245 6.706 -6.359
185 HA GLU 64 HA GLU 64 3.732 7.608 -4.070
186 HB2 GLU 64 3HB GLU 64 0.760 7.391 -4.597
187 HB3 GLU 64 2HB GLU 64 1.463 8.103 -3.136
188 HG2 GLU 64 3HG GLU 64 2.427 9.177 -5.720
189 HG3 GLU 64 2HG GLU 64 0.752 9.536 -5.276
190 HE2 GLU 64 HE GLU 64 3.554 10.984 -2.850
191 H ILE 65 HN ILE 65 1.218 5.125 -4.553
192 HA ILE 65 HA ILE 65 1.436 4.009 -1.976
193 HB ILE 65 HB ILE 65 0.478 2.696 -4.522
194 HG12 ILE 65 1HG1 ILE 65 -1.244 3.826 -2.327
195 HG13 ILE 65 2HG1 ILE 65 -0.647 4.861 -3.635
196 HG21 ILE 65 1HG2 ILE 65 0.863 0.939 -3.037
197 HG22 ILE 65 2HG2 ILE 65 0.339 1.881 -1.641
198 HG23 ILE 65 3HG2 ILE 65 -0.846 1.311 -2.815
199 HD11 ILE 65 3HD1 ILE 65 -2.965 3.883 -3.919
200 HD12 ILE 65 1HD1 ILE 65 -1.848 3.693 -5.270
201 HD13 ILE 65 2HD1 ILE 65 -2.163 2.336 -4.189
202 H HIS 66 HN HIS 66 2.744 2.881 -5.094
203 HA HIS 66 HA HIS 66 4.120 0.656 -4.163
204 HB2 HIS 66 3HB HIS 66 3.722 1.541 -6.586
205 HB3 HIS 66 2HB HIS 66 5.262 2.372 -6.345
206 HD1 HIS 66 1HD HIS 66 7.391 0.856 -5.976
207 HD2 HIS 66 2HD HIS 66 3.945 -1.171 -7.106
208 HE1 HIS 66 1HE HIS 66 8.162 -1.419 -6.719
209 HE2 HIS 66 2HE HIS 66 6.057 -2.659 -7.410
210 H SER 67 HN SER 67 4.937 4.037 -3.979
211 HA SER 67 HA SER 67 7.695 3.690 -3.360
212 HB2 SER 67 1HB SER 67 7.354 5.845 -4.062
213 HB3 SER 67 2HB SER 67 5.751 5.941 -3.312
214 HG SER 67 HG SER 67 6.691 6.942 -1.736
215 H VAL 68 HN VAL 68 5.035 4.815 -1.262
216 HA VAL 68 HA VAL 68 6.339 4.610 1.161
217 HB VAL 68 HB VAL 68 4.071 4.299 2.183
218 HG11 VAL 68 1HG1 VAL 68 4.549 6.464 0.154
219 HG12 VAL 68 2HG1 VAL 68 3.159 6.476 1.242
220 HG13 VAL 68 3HG1 VAL 68 4.796 6.521 1.899
221 HG21 VAL 68 3HG2 VAL 68 3.225 4.222 -0.711
222 HG22 VAL 68 1HG2 VAL 68 3.009 2.956 0.497
223 HG23 VAL 68 2HG2 VAL 68 2.124 4.474 0.643
224 H LEU 69 HN LEU 69 4.686 2.098 -0.676
225 HA LEU 69 HA LEU 69 4.886 0.112 1.369
226 HB2 LEU 69 3HB LEU 69 3.968 0.261 -1.429
227 HB3 LEU 69 2HB LEU 69 4.601 -1.315 -0.921
228 HG LEU 69 HG LEU 69 2.126 -1.074 -0.729
229 HD11 LEU 69 1HD1 LEU 69 3.922 -1.805 1.520
230 HD12 LEU 69 2HD1 LEU 69 2.840 -2.813 0.560
231 HD13 LEU 69 3HD1 LEU 69 2.184 -1.766 1.819
232 HD21 LEU 69 3HD2 LEU 69 2.002 1.246 -0.051
233 HD22 LEU 69 1HD2 LEU 69 2.866 0.883 1.443
234 HD23 LEU 69 2HD2 LEU 69 1.253 0.222 1.175
235 H GLN 70 HN GLN 70 6.877 1.120 -1.330
236 HA GLN 70 HA GLN 70 8.602 -1.133 -1.343
237 HB2 GLN 70 3HB GLN 70 8.515 0.232 -3.298
238 HB3 GLN 70 2HB GLN 70 8.928 1.684 -2.372
239 HG2 GLN 70 3HG GLN 70 10.840 0.975 -3.648
240 HG3 GLN 70 2HG GLN 70 11.153 0.748 -1.921
241 HE21 GLN 70 1HE2 GLN 70 9.662 -1.104 -4.562
242 HE22 GLN 70 2HE2 GLN 70 10.484 -2.583 -4.215
243 H LYS 71 HN LYS 71 8.444 1.765 0.558
244 HA LYS 71 HA LYS 71 11.107 1.317 1.672
245 HB2 LYS 71 3HB LYS 71 9.091 3.544 1.884
246 HB3 LYS 71 2HB LYS 71 10.456 3.432 3.009
247 HG2 LYS 71 3HG LYS 71 11.962 3.366 0.961
248 HG3 LYS 71 2HG LYS 71 10.530 3.851 0.037
249 HD2 LYS 71 3HD LYS 71 11.283 5.410 2.479
250 HD3 LYS 71 2HD LYS 71 12.189 5.654 0.975
251 HE2 LYS 71 3HE LYS 71 10.483 7.273 0.906
252 HE3 LYS 71 2HE LYS 71 9.922 5.968 -0.150
253 HZ1 LYS 71 3HZ LYS 71 9.133 5.911 2.674
254 HZ2 LYS 71 1HZ LYS 71 8.303 5.345 1.312
255 HZ3 LYS 71 2HZ LYS 71 8.355 7.003 1.643
256 H LEU 72 HN LEU 72 7.709 1.238 2.590
257 HA LEU 72 HA LEU 72 8.207 0.710 5.355
258 HB2 LEU 72 3HB LEU 72 5.788 0.582 3.578
259 HB3 LEU 72 2HB LEU 72 5.737 -0.035 5.240
260 HG LEU 72 HG LEU 72 6.713 2.741 4.841
261 HD11 LEU 72 1HD1 LEU 72 3.816 2.581 5.125
262 HD12 LEU 72 2HD1 LEU 72 4.402 2.017 3.561
263 HD13 LEU 72 3HD1 LEU 72 4.803 3.641 4.119
264 HD21 LEU 72 3HD2 LEU 72 4.791 1.627 6.866
265 HD22 LEU 72 1HD2 LEU 72 5.774 3.087 6.974
266 HD23 LEU 72 2HD2 LEU 72 6.541 1.500 7.046
267 H GLY 73 HN GLY 73 6.892 -1.331 2.733
268 HA2 GLY 73 2HA GLY 73 7.590 -3.548 2.285
269 HA3 GLY 73 3HA GLY 73 8.302 -3.621 3.890
270 H VAL 74 HN VAL 74 7.338 -5.285 4.872
271 HA VAL 74 HA VAL 74 4.446 -5.641 4.585
272 HB VAL 74 HB VAL 74 6.423 -7.473 5.946
273 HG11 VAL 74 1HG1 VAL 74 3.531 -7.720 5.186
274 HG12 VAL 74 2HG1 VAL 74 4.548 -9.139 5.437
275 HG13 VAL 74 3HG1 VAL 74 4.289 -7.994 6.754
276 HG21 VAL 74 3HG2 VAL 74 5.386 -7.473 3.116
277 HG22 VAL 74 1HG2 VAL 74 7.061 -7.324 3.648
278 HG23 VAL 74 2HG2 VAL 74 6.198 -8.847 3.867
279 H GLN 75 HN GLN 75 6.810 -4.533 6.815
280 HA GLN 75 HA GLN 75 5.430 -5.011 9.235
281 HB2 GLN 75 3HB GLN 75 7.438 -2.846 8.558
282 HB3 GLN 75 2HB GLN 75 6.935 -3.313 10.192
283 HG2 GLN 75 3HG GLN 75 7.989 -5.407 10.054
284 HG3 GLN 75 2HG GLN 75 8.179 -5.276 8.300
285 HE21 GLN 75 1HE2 GLN 75 10.202 -4.983 7.738
286 HE22 GLN 75 2HE2 GLN 75 11.374 -4.037 8.584
287 H ALA 76 HN ALA 76 5.021 -2.688 6.728
288 HA ALA 76 HA ALA 76 3.896 -0.524 8.016
289 HB1 ALA 76 1HB ALA 76 4.202 -1.313 5.397
290 HB2 ALA 76 2HB ALA 76 2.451 -1.220 5.589
291 HB3 ALA 76 3HB ALA 76 3.453 0.186 5.948
292 H ASP 77 HN ASP 77 1.511 0.091 7.907
293 HA ASP 77 HA ASP 77 -0.277 -2.156 8.451
294 HB2 ASP 77 3HB ASP 77 -0.331 0.169 10.345
295 HB3 ASP 77 2HB ASP 77 -0.893 -1.490 10.589
296 HD2 ASP 77 HD ASP 77 2.156 -2.515 11.789
297 H THR 78 HN THR 78 -2.557 -1.511 8.514
298 HA THR 78 HA THR 78 -3.331 -0.012 6.332
299 HB THR 78 HB THR 78 -5.045 -0.325 8.797
300 HG1 THR 78 1HG THR 78 -5.031 -2.222 6.720
301 HG21 THR 78 3HG2 THR 78 -6.873 -0.417 7.175
302 HG22 THR 78 1HG2 THR 78 -5.721 -0.232 5.853
303 HG23 THR 78 2HG2 THR 78 -5.960 1.081 7.006
304 H ASN 79 HN ASN 79 -2.628 1.043 9.581
305 HA ASN 79 HA ASN 79 -3.782 3.660 9.232
306 HB2 ASN 79 3HB ASN 79 -1.791 2.942 11.373
307 HB3 ASN 79 2HB ASN 79 -3.131 4.093 11.445
308 HD21 ASN 79 1HD2 ASN 79 -2.387 1.744 13.123
309 HD22 ASN 79 2HD2 ASN 79 -3.816 0.776 13.186
310 H THR 80 HN THR 80 -0.464 2.405 9.570
311 HA THR 80 HA THR 80 0.937 4.754 9.213
312 HB THR 80 HB THR 80 1.710 2.006 8.213
313 HG1 THR 80 1HG THR 80 2.345 1.637 10.222
314 HG21 THR 80 3HG2 THR 80 4.017 3.327 8.893
315 HG22 THR 80 1HG2 THR 80 3.065 4.596 8.124
316 HG23 THR 80 2HG2 THR 80 3.415 3.104 7.251
317 H VAL 81 HN VAL 81 -0.222 2.507 6.715
318 HA VAL 81 HA VAL 81 0.850 3.692 4.467
319 HB VAL 81 HB VAL 81 -1.916 2.492 4.648
320 HG11 VAL 81 1HG1 VAL 81 -1.377 1.850 2.260
321 HG12 VAL 81 2HG1 VAL 81 -1.684 3.563 2.554
322 HG13 VAL 81 3HG1 VAL 81 -0.030 2.983 2.357
323 HG21 VAL 81 3HG2 VAL 81 -0.964 0.532 5.081
324 HG22 VAL 81 1HG2 VAL 81 -0.009 0.671 3.605
325 HG23 VAL 81 2HG2 VAL 81 0.622 1.301 5.127
326 H LEU 82 HN LEU 82 -2.353 4.361 5.888
327 HA LEU 82 HA LEU 82 -3.100 6.407 4.158
328 HB2 LEU 82 3HB LEU 82 -3.784 6.100 7.086
329 HB3 LEU 82 2HB LEU 82 -4.646 7.115 5.920
330 HG LEU 82 HG LEU 82 -4.430 4.197 5.365
331 HD11 LEU 82 1HD1 LEU 82 -5.200 4.845 7.841
332 HD12 LEU 82 2HD1 LEU 82 -5.912 3.513 6.931
333 HD13 LEU 82 3HD1 LEU 82 -6.733 5.072 6.998
334 HD21 LEU 82 3HD2 LEU 82 -6.848 5.920 5.050
335 HD22 LEU 82 1HD2 LEU 82 -6.322 4.532 4.096
336 HD23 LEU 82 2HD2 LEU 82 -5.504 6.085 3.919
337 H GLY 83 HN GLY 83 -1.500 6.653 7.333
338 HA2 GLY 83 2HA GLY 83 -1.275 9.402 7.509
339 HA3 GLY 83 3HA GLY 83 -0.114 8.272 8.190
340 H GLU 84 HN GLU 84 0.947 7.145 5.900
341 HA GLU 84 HA GLU 84 2.947 8.928 5.203
342 HB2 GLU 84 3HB GLU 84 1.905 6.553 3.640
343 HB3 GLU 84 2HB GLU 84 3.440 7.376 3.325
344 HG2 GLU 84 3HG GLU 84 2.949 6.363 6.077
345 HG3 GLU 84 2HG GLU 84 3.299 5.190 4.799
346 HE2 GLU 84 HE GLU 84 6.197 7.688 5.864
347 H LEU 85 HN LEU 85 -0.066 8.184 3.497
348 HA LEU 85 HA LEU 85 0.489 9.931 1.303
349 HB2 LEU 85 3HB LEU 85 -2.213 8.905 2.172
350 HB3 LEU 85 2HB LEU 85 -1.719 9.444 0.557
351 HG LEU 85 HG LEU 85 -0.624 6.984 1.914
352 HD11 LEU 85 1HD1 LEU 85 -2.184 5.672 0.826
353 HD12 LEU 85 2HD1 LEU 85 -2.596 6.936 -0.332
354 HD13 LEU 85 3HD1 LEU 85 -3.151 7.056 1.338
355 HD21 LEU 85 3HD2 LEU 85 0.835 7.943 0.213
356 HD22 LEU 85 1HD2 LEU 85 -0.499 7.951 -0.941
357 HD23 LEU 85 2HD2 LEU 85 0.139 6.419 -0.341
358 H VAL 86 HN VAL 86 -1.097 10.241 4.396
359 HA VAL 86 HA VAL 86 -2.522 12.620 3.926
360 HB VAL 86 HB VAL 86 -1.326 11.628 6.518
361 HG11 VAL 86 1HG1 VAL 86 -3.472 13.020 7.283
362 HG12 VAL 86 2HG1 VAL 86 -1.871 13.745 7.127
363 HG13 VAL 86 3HG1 VAL 86 -3.055 13.931 5.832
364 HG21 VAL 86 3HG2 VAL 86 -2.885 10.046 6.473
365 HG22 VAL 86 1HG2 VAL 86 -4.131 11.293 6.412
366 HG23 VAL 86 2HG2 VAL 86 -3.468 10.636 4.916
367 H LYS 87 HN LYS 87 0.825 12.006 4.758
368 HA LYS 87 HA LYS 87 1.341 14.881 4.998
369 HB2 LYS 87 3HB LYS 87 2.875 12.411 5.760
370 HB3 LYS 87 2HB LYS 87 3.699 13.971 5.605
371 HG2 LYS 87 3HG LYS 87 1.443 14.494 7.173
372 HG3 LYS 87 2HG LYS 87 2.095 12.956 7.767
373 HD2 LYS 87 3HD LYS 87 3.527 14.196 8.962
374 HD3 LYS 87 2HD LYS 87 4.361 14.476 7.424
375 HE2 LYS 87 3HE LYS 87 3.169 16.534 7.064
376 HE3 LYS 87 2HE LYS 87 2.127 16.215 8.459
377 HZ1 LYS 87 3HZ LYS 87 3.672 16.945 9.887
378 HZ2 LYS 87 1HZ LYS 87 4.336 17.725 8.540
379 HZ3 LYS 87 2HZ LYS 87 4.959 16.236 9.048
380 H HIS 88 HN HIS 88 2.930 12.078 3.459
381 HA HIS 88 HA HIS 88 4.520 13.536 1.695
382 HB2 HIS 88 3HB HIS 88 3.343 10.790 1.202
383 HB3 HIS 88 2HB HIS 88 4.794 11.465 0.455
384 HD1 HIS 88 1HD HIS 88 5.048 8.841 1.954
385 HD2 HIS 88 2HD HIS 88 5.629 12.549 3.735
386 HE1 HIS 88 1HE HIS 88 6.492 8.402 3.966
387 HE2 HIS 88 2HE HIS 88 6.847 10.668 5.055
388 H GLY 89 HN GLY 89 1.190 12.439 1.401
389 HA2 GLY 89 2HA GLY 89 1.047 13.723 -1.253
390 HA3 GLY 89 3HA GLY 89 -0.039 12.460 -0.692
Start of MODEL 2
1 H1 GLY 41 HN GLY 41 -2.965 -21.657 -14.874
2 HA2 GLY 41 2HA GLY 41 -2.956 -19.147 -13.508
3 HA3 GLY 41 3HA GLY 41 -4.305 -19.845 -14.391
4 HA PRO 42 HA PRO 42 -4.549 -21.665 -9.913
5 HB2 PRO 42 3HB PRO 42 -2.853 -20.587 -8.055
6 HB3 PRO 42 2HB PRO 42 -2.447 -21.991 -9.043
7 HG2 PRO 42 3HG PRO 42 -1.732 -19.106 -9.452
8 HG3 PRO 42 2HG PRO 42 -0.689 -20.571 -9.592
9 HD2 PRO 42 3HD PRO 42 -1.729 -19.299 -11.754
10 HD3 PRO 42 2HD PRO 42 -1.483 -21.053 -11.702
11 H HIS 43 HN HIS 43 -5.005 -20.590 -7.604
12 HA HIS 43 HA HIS 43 -6.130 -17.910 -8.086
13 HB2 HIS 43 3HB HIS 43 -7.996 -18.618 -6.516
14 HB3 HIS 43 2HB HIS 43 -8.008 -19.354 -8.120
15 HD1 HIS 43 1HD HIS 43 -6.635 -20.280 -4.687
16 HD2 HIS 43 2HD HIS 43 -8.370 -22.024 -8.035
17 HE1 HIS 43 1HE HIS 43 -6.884 -22.717 -4.121
18 HE2 HIS 43 2HE HIS 43 -7.945 -23.784 -6.168
19 H MET 44 HN MET 44 -3.605 -18.462 -6.913
20 HA MET 44 HA MET 44 -3.914 -18.228 -4.045
21 HB2 MET 44 3HB MET 44 -2.046 -19.507 -5.075
22 HB3 MET 44 2HB MET 44 -1.412 -17.985 -5.723
23 HG2 MET 44 3HG MET 44 -1.044 -17.123 -3.496
24 HG3 MET 44 2HG MET 44 -1.793 -18.559 -2.795
25 HE1 MET 44 3HE MET 44 1.151 -16.926 -4.428
26 HE2 MET 44 1HE MET 44 2.402 -18.163 -4.550
27 HE3 MET 44 2HE MET 44 1.069 -18.141 -5.705
28 H THR 45 HN THR 45 -4.533 -16.346 -3.213
29 HA THR 45 HA THR 45 -4.139 -13.853 -4.567
30 HB THR 45 HB THR 45 -5.141 -14.408 -1.769
31 HG1 THR 45 1HG THR 45 -7.184 -14.090 -2.751
32 HG21 THR 45 3HG2 THR 45 -4.331 -12.140 -1.900
33 HG22 THR 45 1HG2 THR 45 -6.093 -12.114 -1.934
34 HG23 THR 45 2HG2 THR 45 -5.178 -11.883 -3.424
35 H SER 46 HN SER 46 -2.740 -12.206 -4.097
36 HA SER 46 HA SER 46 -0.528 -12.891 -2.284
37 HB2 SER 46 1HB SER 46 -0.705 -11.254 -4.799
38 HB3 SER 46 2HB SER 46 0.594 -10.945 -3.634
39 HG SER 46 HG SER 46 1.544 -12.522 -4.656
40 H GLU 47 HN GLU 47 -1.001 -12.067 -0.328
41 HA GLU 47 HA GLU 47 -2.548 -9.859 0.271
42 HB2 GLU 47 3HB GLU 47 -0.198 -11.042 1.761
43 HB3 GLU 47 2HB GLU 47 -1.255 -9.792 2.435
44 HG2 GLU 47 3HG GLU 47 -2.407 -12.356 1.397
45 HG3 GLU 47 2HG GLU 47 -1.696 -12.266 3.015
46 HE2 GLU 47 HE GLU 47 -4.253 -9.949 3.987
47 H LEU 48 HN LEU 48 0.940 -10.013 -0.322
48 HA LEU 48 HA LEU 48 1.554 -7.349 0.276
49 HB2 LEU 48 3HB LEU 48 3.523 -7.694 -1.231
50 HB3 LEU 48 2HB LEU 48 3.322 -8.911 0.043
51 HG LEU 48 HG LEU 48 2.081 -10.207 -1.922
52 HD11 LEU 48 1HD1 LEU 48 2.772 -8.053 -3.342
53 HD12 LEU 48 2HD1 LEU 48 2.665 -9.668 -4.040
54 HD13 LEU 48 3HD1 LEU 48 4.233 -9.017 -3.564
55 HD21 LEU 48 3HD2 LEU 48 3.825 -11.288 -0.840
56 HD22 LEU 48 1HD2 LEU 48 4.990 -10.026 -1.240
57 HD23 LEU 48 2HD2 LEU 48 4.428 -11.135 -2.491
58 H GLN 49 HN GLN 49 0.225 -8.829 -2.605
59 HA GLN 49 HA GLN 49 0.569 -6.532 -4.276
60 HB2 GLN 49 3HB GLN 49 -0.798 -9.170 -4.491
61 HB3 GLN 49 2HB GLN 49 -1.332 -7.878 -5.576
62 HG2 GLN 49 3HG GLN 49 1.574 -8.574 -5.324
63 HG3 GLN 49 2HG GLN 49 0.495 -9.491 -6.383
64 HE21 GLN 49 1HE2 GLN 49 2.291 -6.621 -5.967
65 HE22 GLN 49 2HE2 GLN 49 1.888 -5.875 -7.473
66 H MET 50 HN MET 50 -2.160 -7.928 -2.486
67 HA MET 50 HA MET 50 -4.130 -6.129 -3.291
68 HB2 MET 50 3HB MET 50 -4.364 -8.285 -1.926
69 HB3 MET 50 2HB MET 50 -3.983 -7.287 -0.515
70 HG2 MET 50 3HG MET 50 -5.916 -5.818 -1.106
71 HG3 MET 50 2HG MET 50 -6.330 -6.981 -2.369
72 HE1 MET 50 3HE MET 50 -5.510 -9.811 -0.675
73 HE2 MET 50 1HE MET 50 -7.206 -10.190 -0.372
74 HE3 MET 50 2HE MET 50 -6.721 -9.498 -1.920
75 H LYS 51 HN LYS 51 -1.642 -5.847 -0.836
76 HA LYS 51 HA LYS 51 -2.559 -3.680 0.618
77 HB2 LYS 51 3HB LYS 51 0.089 -4.842 -0.009
78 HB3 LYS 51 2HB LYS 51 0.099 -3.163 0.552
79 HG2 LYS 51 3HG LYS 51 -1.445 -4.075 2.452
80 HG3 LYS 51 2HG LYS 51 -0.732 -5.633 1.998
81 HD2 LYS 51 3HD LYS 51 1.534 -4.327 2.156
82 HD3 LYS 51 2HD LYS 51 0.585 -3.217 3.161
83 HE2 LYS 51 3HE LYS 51 -0.173 -5.461 4.343
84 HE3 LYS 51 2HE LYS 51 1.355 -6.048 3.668
85 HZ1 LYS 51 3HZ LYS 51 1.626 -5.177 5.915
86 HZ2 LYS 51 1HZ LYS 51 1.068 -3.661 5.412
87 HZ3 LYS 51 2HZ LYS 51 2.521 -4.273 4.799
88 H VAL 52 HN VAL 52 -0.721 -3.686 -2.419
89 HA VAL 52 HA VAL 52 -0.853 -0.793 -2.604
90 HB VAL 52 HB VAL 52 0.171 -2.733 -4.678
91 HG11 VAL 52 1HG1 VAL 52 -0.275 0.018 -4.776
92 HG12 VAL 52 2HG1 VAL 52 1.465 -0.159 -4.536
93 HG13 VAL 52 3HG1 VAL 52 0.677 -0.947 -5.904
94 HG21 VAL 52 3HG2 VAL 52 2.425 -2.164 -3.734
95 HG22 VAL 52 1HG2 VAL 52 1.592 -1.443 -2.357
96 HG23 VAL 52 2HG2 VAL 52 1.415 -3.165 -2.691
97 H ASP 53 HN ASP 53 -2.061 -3.583 -4.453
98 HA ASP 53 HA ASP 53 -3.448 -2.254 -6.434
99 HB2 ASP 53 3HB ASP 53 -3.107 -4.728 -6.280
100 HB3 ASP 53 2HB ASP 53 -4.374 -4.777 -5.047
101 HD2 ASP 53 HD ASP 53 -5.681 -3.714 -8.643
102 H PHE 54 HN PHE 54 -4.284 -2.691 -3.078
103 HA PHE 54 HA PHE 54 -7.024 -2.083 -3.223
104 HB2 PHE 54 3HB PHE 54 -6.034 -3.078 -1.233
105 HB3 PHE 54 2HB PHE 54 -5.053 -1.635 -0.972
106 HD1 PHE 54 1HD PHE 54 -8.455 -2.999 -0.822
107 HD2 PHE 54 2HD PHE 54 -5.963 0.354 -0.008
108 HE1 PHE 54 1HE PHE 54 -10.242 -2.008 0.550
109 HE2 PHE 54 2HE PHE 54 -7.746 1.350 1.367
110 HZ PHE 54 HZ PHE 54 -9.887 0.168 1.647
111 H PHE 55 HN PHE 55 -4.564 0.082 -1.840
112 HA PHE 55 HA PHE 55 -6.062 2.410 -2.032
113 HB2 PHE 55 3HB PHE 55 -3.099 1.890 -1.913
114 HB3 PHE 55 2HB PHE 55 -3.720 3.535 -2.056
115 HD1 PHE 55 2HD PHE 55 -5.389 4.349 -0.306
116 HD2 PHE 55 1HD PHE 55 -2.983 0.872 0.187
117 HE1 PHE 55 2HE PHE 55 -5.737 4.456 2.127
118 HE2 PHE 55 1HE PHE 55 -3.328 0.974 2.621
119 HZ PHE 55 HZ PHE 55 -4.706 2.769 3.594
120 H ARG 56 HN ARG 56 -4.285 0.710 -4.465
121 HA ARG 56 HA ARG 56 -3.836 2.765 -6.310
122 HB2 ARG 56 3HB ARG 56 -4.184 -0.207 -6.535
123 HB3 ARG 56 2HB ARG 56 -4.065 0.782 -7.997
124 HG2 ARG 56 3HG ARG 56 -1.985 1.354 -6.015
125 HG3 ARG 56 2HG ARG 56 -1.956 -0.298 -6.653
126 HD2 ARG 56 3HD ARG 56 -1.960 2.238 -8.304
127 HD3 ARG 56 2HD ARG 56 -0.559 1.204 -7.987
128 HE ARG 56 HE ARG 56 -2.658 0.732 -9.888
129 HH11 ARG 56 1HH1 ARG 56 -0.211 -0.755 -7.908
130 HH12 ARG 56 2HH1 ARG 56 -0.069 -2.161 -8.910
131 HH21 ARG 56 1HH2 ARG 56 -2.480 -1.115 -11.215
132 HH22 ARG 56 2HH2 ARG 56 -1.359 -2.364 -10.792
133 H LYS 57 HN LYS 57 -6.727 1.065 -5.440
134 HA LYS 57 HA LYS 57 -8.175 2.081 -7.763
135 HB2 LYS 57 3HB LYS 57 -9.859 0.567 -7.281
136 HB3 LYS 57 2HB LYS 57 -8.416 -0.294 -6.722
137 HG2 LYS 57 3HG LYS 57 -9.091 0.997 -4.452
138 HG3 LYS 57 2HG LYS 57 -10.687 0.778 -5.191
139 HD2 LYS 57 3HD LYS 57 -8.665 -1.426 -4.729
140 HD3 LYS 57 2HD LYS 57 -10.070 -1.091 -3.703
141 HE2 LYS 57 3HE LYS 57 -10.149 -1.870 -6.628
142 HE3 LYS 57 2HE LYS 57 -10.532 -2.917 -5.254
143 HZ1 LYS 57 3HZ LYS 57 -12.594 -2.191 -5.955
144 HZ2 LYS 57 1HZ LYS 57 -12.058 -0.625 -6.304
145 HZ3 LYS 57 2HZ LYS 57 -12.255 -1.112 -4.697
146 H LEU 58 HN LEU 58 -7.642 2.781 -4.438
147 HA LEU 58 HA LEU 58 -9.997 4.159 -3.798
148 HB2 LEU 58 3HB LEU 58 -7.208 4.099 -2.783
149 HB3 LEU 58 2HB LEU 58 -8.197 5.500 -2.337
150 HG LEU 58 HG LEU 58 -8.204 3.745 -0.615
151 HD11 LEU 58 1HD1 LEU 58 -10.222 4.480 -0.071
152 HD12 LEU 58 2HD1 LEU 58 -10.966 3.476 -1.315
153 HD13 LEU 58 3HD1 LEU 58 -10.407 5.101 -1.711
154 HD21 LEU 58 3HD2 LEU 58 -9.417 2.095 -2.821
155 HD22 LEU 58 1HD2 LEU 58 -9.538 1.674 -1.112
156 HD23 LEU 58 2HD2 LEU 58 -7.957 1.756 -1.891
157 H GLY 59 HN GLY 59 -7.397 4.989 -5.883
158 HA2 GLY 59 2HA GLY 59 -7.896 6.777 -7.493
159 HA3 GLY 59 3HA GLY 59 -8.514 7.713 -6.139
160 H TYR 60 HN TYR 60 -5.669 5.864 -5.591
161 HA TYR 60 HA TYR 60 -4.129 8.341 -5.392
162 HB2 TYR 60 3HB TYR 60 -3.810 5.573 -4.257
163 HB3 TYR 60 2HB TYR 60 -2.443 6.690 -4.293
164 HD1 TYR 60 2HD TYR 60 -2.971 9.111 -3.332
165 HD2 TYR 60 1HD TYR 60 -5.139 5.584 -2.353
166 HE1 TYR 60 2HE TYR 60 -3.744 10.171 -1.253
167 HE2 TYR 60 1HE TYR 60 -5.919 6.635 -0.271
168 HH TYR 60 HH TYR 60 -5.799 8.415 1.050
169 H SER 61 HN SER 61 -1.615 7.751 -5.769
170 HA SER 61 HA SER 61 -1.493 6.892 -8.574
171 HB2 SER 61 1HB SER 61 -0.619 9.208 -7.543
172 HB3 SER 61 2HB SER 61 0.833 8.226 -7.279
173 HG SER 61 HG SER 61 -0.505 8.539 -9.765
174 H SER 62 HN SER 62 -0.230 5.235 -9.236
175 HA SER 62 HA SER 62 0.474 3.197 -7.490
176 HB2 SER 62 1HB SER 62 1.611 2.154 -9.351
177 HB3 SER 62 2HB SER 62 0.158 2.961 -9.962
178 HG SER 62 HG SER 62 1.428 4.025 -11.236
179 H SER 63 HN SER 63 2.482 5.769 -8.864
180 HA SER 63 HA SER 63 4.944 4.889 -7.833
181 HB2 SER 63 1HB SER 63 4.683 6.608 -9.620
182 HB3 SER 63 2HB SER 63 4.102 7.744 -8.390
183 HG SER 63 HG SER 63 6.086 8.084 -7.798
184 H GLU 64 HN GLU 64 2.272 6.526 -6.367
185 HA GLU 64 HA GLU 64 3.763 7.488 -4.096
186 HB2 GLU 64 3HB GLU 64 0.782 7.279 -4.592
187 HB3 GLU 64 2HB GLU 64 1.522 8.069 -3.192
188 HG2 GLU 64 3HG GLU 64 2.467 8.992 -5.831
189 HG3 GLU 64 2HG GLU 64 0.785 9.362 -5.427
190 HE2 GLU 64 HE GLU 64 3.285 11.804 -4.039
191 H ILE 65 HN ILE 65 1.219 5.029 -4.543
192 HA ILE 65 HA ILE 65 1.400 3.963 -1.944
193 HB ILE 65 HB ILE 65 0.462 2.604 -4.473
194 HG12 ILE 65 1HG1 ILE 65 -1.285 3.789 -2.329
195 HG13 ILE 65 2HG1 ILE 65 -0.652 4.799 -3.638
196 HG21 ILE 65 1HG2 ILE 65 0.130 1.881 -1.570
197 HG22 ILE 65 2HG2 ILE 65 -0.842 1.187 -2.866
198 HG23 ILE 65 3HG2 ILE 65 0.902 0.931 -2.839
199 HD11 ILE 65 3HD1 ILE 65 -2.146 2.275 -4.228
200 HD12 ILE 65 1HD1 ILE 65 -2.984 3.796 -3.920
201 HD13 ILE 65 2HD1 ILE 65 -1.857 3.667 -5.272
202 H HIS 66 HN HIS 66 3.075 3.187 -4.941
203 HA HIS 66 HA HIS 66 4.342 0.832 -3.937
204 HB2 HIS 66 3HB HIS 66 3.915 1.529 -6.395
205 HB3 HIS 66 2HB HIS 66 5.392 2.482 -6.223
206 HD1 HIS 66 1HD HIS 66 7.587 1.284 -6.441
207 HD2 HIS 66 2HD HIS 66 4.371 -1.324 -6.091
208 HE1 HIS 66 1HE HIS 66 8.527 -1.007 -6.885
209 HE2 HIS 66 2HE HIS 66 6.562 -2.600 -6.672
210 H SER 67 HN SER 67 5.040 4.227 -3.847
211 HA SER 67 HA SER 67 7.824 3.989 -3.262
212 HB2 SER 67 1HB SER 67 7.108 6.065 -4.184
213 HB3 SER 67 2HB SER 67 5.840 6.244 -2.958
214 HG SER 67 HG SER 67 7.664 7.541 -2.484
215 H VAL 68 HN VAL 68 5.086 5.003 -1.207
216 HA VAL 68 HA VAL 68 6.404 4.997 1.224
217 HB VAL 68 HB VAL 68 4.197 4.655 2.280
218 HG11 VAL 68 1HG1 VAL 68 3.073 6.621 1.217
219 HG12 VAL 68 2HG1 VAL 68 4.765 6.885 1.642
220 HG13 VAL 68 3HG1 VAL 68 4.313 6.579 -0.036
221 HG21 VAL 68 3HG2 VAL 68 2.798 3.294 1.176
222 HG22 VAL 68 1HG2 VAL 68 2.368 4.729 0.246
223 HG23 VAL 68 2HG2 VAL 68 3.574 3.604 -0.377
224 H LEU 69 HN LEU 69 5.022 2.311 -0.564
225 HA LEU 69 HA LEU 69 5.348 0.422 1.575
226 HB2 LEU 69 3HB LEU 69 4.408 0.374 -1.235
227 HB3 LEU 69 2HB LEU 69 5.082 -1.138 -0.598
228 HG LEU 69 HG LEU 69 2.600 -0.955 -0.442
229 HD11 LEU 69 1HD1 LEU 69 3.413 -1.085 2.371
230 HD12 LEU 69 2HD1 LEU 69 4.373 -2.083 1.278
231 HD13 LEU 69 3HD1 LEU 69 2.623 -2.292 1.357
232 HD21 LEU 69 3HD2 LEU 69 3.271 1.197 1.561
233 HD22 LEU 69 1HD2 LEU 69 1.682 0.460 1.359
234 HD23 LEU 69 2HD2 LEU 69 2.390 1.401 0.047
235 H GLN 70 HN GLN 70 7.211 1.480 -1.190
236 HA GLN 70 HA GLN 70 9.059 -0.640 -1.283
237 HB2 GLN 70 3HB GLN 70 8.916 0.848 -3.144
238 HB3 GLN 70 2HB GLN 70 9.269 2.251 -2.122
239 HG2 GLN 70 3HG GLN 70 11.536 1.426 -1.737
240 HG3 GLN 70 2HG GLN 70 11.187 0.017 -2.748
241 HE21 GLN 70 1HE2 GLN 70 11.563 0.151 -4.856
242 HE22 GLN 70 2HE2 GLN 70 11.922 1.603 -5.721
243 H LYS 71 HN LYS 71 8.753 2.096 0.820
244 HA LYS 71 HA LYS 71 11.423 1.644 1.939
245 HB2 LYS 71 3HB LYS 71 10.556 3.970 1.346
246 HB3 LYS 71 2HB LYS 71 9.478 3.805 2.743
247 HG2 LYS 71 3HG LYS 71 11.347 5.030 3.497
248 HG3 LYS 71 2HG LYS 71 11.533 3.387 4.138
249 HD2 LYS 71 3HD LYS 71 13.666 3.883 3.346
250 HD3 LYS 71 2HD LYS 71 12.944 2.954 2.021
251 HE2 LYS 71 3HE LYS 71 13.975 4.788 0.964
252 HE3 LYS 71 2HE LYS 71 12.256 5.200 1.032
253 HZ1 LYS 71 3HZ LYS 71 14.488 6.323 2.581
254 HZ2 LYS 71 1HZ LYS 71 12.929 6.347 3.239
255 HZ3 LYS 71 2HZ LYS 71 13.237 7.122 1.767
256 H LEU 72 HN LEU 72 8.006 1.686 2.853
257 HA LEU 72 HA LEU 72 8.416 1.059 5.584
258 HB2 LEU 72 3HB LEU 72 6.079 0.935 3.710
259 HB3 LEU 72 2HB LEU 72 5.965 0.219 5.327
260 HG LEU 72 HG LEU 72 6.881 3.039 5.129
261 HD11 LEU 72 1HD1 LEU 72 5.038 3.853 4.209
262 HD12 LEU 72 2HD1 LEU 72 4.032 2.970 5.357
263 HD13 LEU 72 3HD1 LEU 72 4.524 2.206 3.846
264 HD21 LEU 72 3HD2 LEU 72 6.624 1.607 7.244
265 HD22 LEU 72 1HD2 LEU 72 4.890 1.830 7.016
266 HD23 LEU 72 2HD2 LEU 72 5.934 3.230 7.253
267 H GLY 73 HN GLY 73 7.254 -0.993 2.899
268 HA2 GLY 73 2HA GLY 73 8.028 -3.186 2.460
269 HA3 GLY 73 3HA GLY 73 8.679 -3.256 4.091
270 H VAL 74 HN VAL 74 7.725 -4.980 4.985
271 HA VAL 74 HA VAL 74 4.849 -5.382 4.608
272 HB VAL 74 HB VAL 74 6.855 -7.206 5.940
273 HG11 VAL 74 1HG1 VAL 74 4.628 -7.631 6.735
274 HG12 VAL 74 2HG1 VAL 74 3.994 -7.629 5.088
275 HG13 VAL 74 3HG1 VAL 74 5.082 -8.913 5.614
276 HG21 VAL 74 3HG2 VAL 74 6.063 -6.827 3.118
277 HG22 VAL 74 1HG2 VAL 74 7.579 -7.410 3.805
278 HG23 VAL 74 2HG2 VAL 74 6.193 -8.493 3.683
279 H GLN 75 HN GLN 75 7.122 -4.270 6.924
280 HA GLN 75 HA GLN 75 5.700 -4.850 9.298
281 HB2 GLN 75 3HB GLN 75 7.696 -2.659 8.680
282 HB3 GLN 75 2HB GLN 75 7.114 -3.064 10.303
283 HG2 GLN 75 3HG GLN 75 8.114 -5.236 10.210
284 HG3 GLN 75 2HG GLN 75 8.541 -5.009 8.508
285 HE21 GLN 75 1HE2 GLN 75 10.658 -5.650 9.532
286 HE22 GLN 75 2HE2 GLN 75 11.675 -4.366 10.081
287 H ALA 76 HN ALA 76 5.303 -2.455 6.848
288 HA ALA 76 HA ALA 76 4.068 -0.374 8.169
289 HB1 ALA 76 1HB ALA 76 3.725 0.398 6.110
290 HB2 ALA 76 2HB ALA 76 4.464 -1.093 5.525
291 HB3 ALA 76 3HB ALA 76 2.710 -0.981 5.684
292 H ASP 77 HN ASP 77 1.670 0.176 7.992
293 HA ASP 77 HA ASP 77 -0.061 -2.145 8.404
294 HB2 ASP 77 3HB ASP 77 -0.272 0.132 10.346
295 HB3 ASP 77 2HB ASP 77 -0.783 -1.551 10.530
296 HD2 ASP 77 HD ASP 77 2.797 -0.558 11.722
297 H THR 78 HN THR 78 -2.368 -1.567 8.410
298 HA THR 78 HA THR 78 -3.114 -0.059 6.226
299 HB THR 78 HB THR 78 -4.869 -0.507 8.644
300 HG1 THR 78 1HG THR 78 -4.048 -2.244 6.564
301 HG21 THR 78 3HG2 THR 78 -5.878 0.973 7.037
302 HG22 THR 78 1HG2 THR 78 -6.658 -0.603 6.911
303 HG23 THR 78 2HG2 THR 78 -5.463 -0.112 5.711
304 H ASN 79 HN ASN 79 -2.555 0.967 9.514
305 HA ASN 79 HA ASN 79 -3.774 3.552 9.169
306 HB2 ASN 79 3HB ASN 79 -1.809 2.907 11.349
307 HB3 ASN 79 2HB ASN 79 -3.229 3.958 11.404
308 HD21 ASN 79 1HD2 ASN 79 -5.073 3.174 12.172
309 HD22 ASN 79 2HD2 ASN 79 -5.382 1.512 12.529
310 H THR 80 HN THR 80 -0.426 2.403 9.582
311 HA THR 80 HA THR 80 0.902 4.804 9.285
312 HB THR 80 HB THR 80 1.808 2.099 8.277
313 HG1 THR 80 1HG THR 80 1.386 2.059 10.498
314 HG21 THR 80 3HG2 THR 80 3.521 3.262 7.418
315 HG22 THR 80 1HG2 THR 80 4.031 3.509 9.088
316 HG23 THR 80 2HG2 THR 80 3.060 4.735 8.271
317 H VAL 81 HN VAL 81 -0.101 2.535 6.739
318 HA VAL 81 HA VAL 81 0.995 3.776 4.532
319 HB VAL 81 HB VAL 81 -1.727 2.470 4.626
320 HG11 VAL 81 1HG1 VAL 81 -1.430 3.616 2.555
321 HG12 VAL 81 2HG1 VAL 81 0.210 2.988 2.377
322 HG13 VAL 81 3HG1 VAL 81 -1.171 1.898 2.253
323 HG21 VAL 81 3HG2 VAL 81 0.289 0.741 3.619
324 HG22 VAL 81 1HG2 VAL 81 0.833 1.374 5.173
325 HG23 VAL 81 2HG2 VAL 81 -0.716 0.539 5.054
326 H LEU 82 HN LEU 82 -2.284 4.303 5.836
327 HA LEU 82 HA LEU 82 -3.096 6.305 4.114
328 HB2 LEU 82 3HB LEU 82 -3.730 6.101 7.063
329 HB3 LEU 82 2HB LEU 82 -4.663 6.984 5.844
330 HG LEU 82 HG LEU 82 -4.272 4.044 5.512
331 HD11 LEU 82 1HD1 LEU 82 -5.051 4.725 7.912
332 HD12 LEU 82 2HD1 LEU 82 -5.874 3.432 7.038
333 HD13 LEU 82 3HD1 LEU 82 -6.586 5.044 7.103
334 HD21 LEU 82 3HD2 LEU 82 -5.410 5.720 3.883
335 HD22 LEU 82 1HD2 LEU 82 -6.761 5.622 5.013
336 HD23 LEU 82 2HD2 LEU 82 -6.177 4.165 4.209
337 H GLY 83 HN GLY 83 -1.455 6.680 7.257
338 HA2 GLY 83 2HA GLY 83 -1.317 9.446 7.343
339 HA3 GLY 83 3HA GLY 83 -0.128 8.371 8.063
340 H GLU 84 HN GLU 84 1.029 7.202 5.886
341 HA GLU 84 HA GLU 84 2.949 9.022 5.101
342 HB2 GLU 84 3HB GLU 84 2.013 6.533 3.655
343 HB3 GLU 84 2HB GLU 84 3.512 7.403 3.297
344 HG2 GLU 84 3HG GLU 84 2.973 6.391 6.064
345 HG3 GLU 84 2HG GLU 84 3.591 5.310 4.806
346 HE2 GLU 84 HE GLU 84 6.479 6.701 6.426
347 H LEU 85 HN LEU 85 -0.072 8.164 3.495
348 HA LEU 85 HA LEU 85 0.457 9.817 1.201
349 HB2 LEU 85 3HB LEU 85 -2.190 8.665 2.083
350 HB3 LEU 85 2HB LEU 85 -1.732 9.208 0.460
351 HG LEU 85 HG LEU 85 -0.473 6.845 1.847
352 HD11 LEU 85 1HD1 LEU 85 -2.128 5.511 1.179
353 HD12 LEU 85 2HD1 LEU 85 -2.235 6.289 -0.399
354 HD13 LEU 85 3HD1 LEU 85 -3.083 6.981 0.984
355 HD21 LEU 85 3HD2 LEU 85 -0.495 7.646 -1.059
356 HD22 LEU 85 1HD2 LEU 85 0.383 6.303 -0.330
357 HD23 LEU 85 2HD2 LEU 85 0.835 7.964 0.056
358 H VAL 86 HN VAL 86 -1.137 10.172 4.277
359 HA VAL 86 HA VAL 86 -2.611 12.523 3.637
360 HB VAL 86 HB VAL 86 -1.710 11.498 6.333
361 HG11 VAL 86 1HG1 VAL 86 -2.346 13.557 6.981
362 HG12 VAL 86 2HG1 VAL 86 -3.251 13.858 5.496
363 HG13 VAL 86 3HG1 VAL 86 -3.974 12.909 6.795
364 HG21 VAL 86 3HG2 VAL 86 -3.595 10.461 4.512
365 HG22 VAL 86 1HG2 VAL 86 -3.315 9.970 6.183
366 HG23 VAL 86 2HG2 VAL 86 -4.510 11.215 5.818
367 H LYS 87 HN LYS 87 0.618 11.893 4.849
368 HA LYS 87 HA LYS 87 1.114 14.740 5.261
369 HB2 LYS 87 3HB LYS 87 2.504 12.205 5.996
370 HB3 LYS 87 2HB LYS 87 3.487 13.666 5.814
371 HG2 LYS 87 3HG LYS 87 1.587 14.684 7.373
372 HG3 LYS 87 2HG LYS 87 1.461 12.985 7.864
373 HD2 LYS 87 3HD LYS 87 3.928 12.980 8.275
374 HD3 LYS 87 2HD LYS 87 3.927 14.722 7.949
375 HE2 LYS 87 3HE LYS 87 3.787 14.630 10.275
376 HE3 LYS 87 2HE LYS 87 2.104 14.845 9.770
377 HZ1 LYS 87 3HZ LYS 87 3.103 12.842 11.367
378 HZ2 LYS 87 1HZ LYS 87 2.781 12.088 9.887
379 HZ3 LYS 87 2HZ LYS 87 1.553 12.922 10.697
380 H HIS 88 HN HIS 88 2.574 12.043 3.439
381 HA HIS 88 HA HIS 88 4.152 13.832 1.832
382 HB2 HIS 88 3HB HIS 88 4.757 11.439 2.525
383 HB3 HIS 88 2HB HIS 88 3.650 10.918 1.252
384 HD1 HIS 88 1HD HIS 88 6.646 13.261 1.499
385 HD2 HIS 88 2HD HIS 88 4.888 10.554 -1.116
386 HE1 HIS 88 1HE HIS 88 8.182 13.152 -0.489
387 HE2 HIS 88 2HE HIS 88 7.108 11.499 -2.089
388 H GLY 89 HN GLY 89 2.366 15.138 1.025
389 HA2 GLY 89 2HA GLY 89 1.317 14.001 -1.462
390 HA3 GLY 89 3HA GLY 89 0.157 14.652 -0.314
Start of MODEL 3
1 H1 GLY 41 HN GLY 41 -11.384 -9.344 -0.489
2 HA2 GLY 41 2HA GLY 41 -13.579 -8.823 -2.084
3 HA3 GLY 41 3HA GLY 41 -12.248 -9.113 -3.195
4 HA PRO 42 HA PRO 42 -14.283 -13.155 -1.971
5 HB2 PRO 42 3HB PRO 42 -14.950 -13.929 -4.513
6 HB3 PRO 42 2HB PRO 42 -15.995 -12.946 -3.488
7 HG2 PRO 42 3HG PRO 42 -14.100 -12.090 -5.650
8 HG3 PRO 42 2HG PRO 42 -15.793 -11.554 -5.340
9 HD2 PRO 42 3HD PRO 42 -13.634 -10.074 -4.622
10 HD3 PRO 42 2HD PRO 42 -15.133 -10.100 -3.678
11 H HIS 43 HN HIS 43 -11.910 -12.124 -4.304
12 HA HIS 43 HA HIS 43 -10.571 -14.735 -4.042
13 HB2 HIS 43 3HB HIS 43 -10.598 -12.917 -6.466
14 HB3 HIS 43 2HB HIS 43 -9.666 -14.412 -6.320
15 HD1 HIS 43 1HD HIS 43 -11.234 -16.634 -5.869
16 HD2 HIS 43 2HD HIS 43 -13.049 -13.309 -7.574
17 HE1 HIS 43 1HE HIS 43 -13.345 -17.491 -6.931
18 HE2 HIS 43 2HE HIS 43 -14.457 -15.459 -7.974
19 H MET 44 HN MET 44 -8.277 -14.707 -4.004
20 HA MET 44 HA MET 44 -7.041 -12.077 -3.591
21 HB2 MET 44 3HB MET 44 -5.752 -13.030 -1.675
22 HB3 MET 44 2HB MET 44 -7.487 -12.863 -1.369
23 HG2 MET 44 3HG MET 44 -6.555 -15.476 -2.422
24 HG3 MET 44 2HG MET 44 -6.115 -15.060 -0.763
25 HE1 MET 44 3HE MET 44 -8.409 -14.609 1.266
26 HE2 MET 44 1HE MET 44 -8.818 -16.321 1.151
27 HE3 MET 44 2HE MET 44 -7.148 -15.798 0.936
28 H THR 45 HN THR 45 -4.862 -11.936 -4.132
29 HA THR 45 HA THR 45 -3.791 -14.267 -5.584
30 HB THR 45 HB THR 45 -4.244 -12.530 -7.169
31 HG1 THR 45 1HG THR 45 -2.196 -13.603 -7.375
32 HG21 THR 45 3HG2 THR 45 -4.333 -10.667 -5.521
33 HG22 THR 45 1HG2 THR 45 -3.413 -10.274 -6.972
34 HG23 THR 45 2HG2 THR 45 -2.571 -10.673 -5.475
35 H SER 46 HN SER 46 -2.974 -11.499 -3.542
36 HA SER 46 HA SER 46 -0.990 -12.923 -2.120
37 HB2 SER 46 1HB SER 46 0.009 -12.195 -4.519
38 HB3 SER 46 2HB SER 46 0.346 -10.720 -3.596
39 HG SER 46 HG SER 46 1.211 -13.356 -3.022
40 H GLU 47 HN GLU 47 -0.597 -11.946 -0.209
41 HA GLU 47 HA GLU 47 -2.144 -9.738 0.582
42 HB2 GLU 47 3HB GLU 47 -0.936 -9.837 2.686
43 HB3 GLU 47 2HB GLU 47 -1.345 -11.470 2.139
44 HG2 GLU 47 3HG GLU 47 1.200 -10.890 1.077
45 HG3 GLU 47 2HG GLU 47 1.212 -10.363 2.766
46 HE2 GLU 47 HE GLU 47 0.218 -13.840 3.531
47 H LEU 48 HN LEU 48 1.008 -9.965 -0.824
48 HA LEU 48 HA LEU 48 1.815 -7.302 -0.053
49 HB2 LEU 48 3HB LEU 48 3.754 -7.717 -1.526
50 HB3 LEU 48 2HB LEU 48 3.519 -8.971 -0.296
51 HG LEU 48 HG LEU 48 2.202 -10.082 -2.381
52 HD11 LEU 48 1HD1 LEU 48 4.602 -8.997 -3.757
53 HD12 LEU 48 2HD1 LEU 48 3.155 -7.994 -3.679
54 HD13 LEU 48 3HD1 LEU 48 3.081 -9.588 -4.428
55 HD21 LEU 48 3HD2 LEU 48 5.120 -10.247 -1.653
56 HD22 LEU 48 1HD2 LEU 48 4.323 -11.365 -2.760
57 HD23 LEU 48 2HD2 LEU 48 3.802 -11.269 -1.078
58 H GLN 49 HN GLN 49 0.440 -8.892 -2.866
59 HA GLN 49 HA GLN 49 0.679 -6.560 -4.542
60 HB2 GLN 49 3HB GLN 49 -0.383 -9.324 -4.830
61 HB3 GLN 49 2HB GLN 49 -1.047 -8.085 -5.906
62 HG2 GLN 49 3HG GLN 49 1.918 -8.390 -5.616
63 HG3 GLN 49 2HG GLN 49 0.997 -9.481 -6.661
64 HE21 GLN 49 1HE2 GLN 49 2.356 -6.374 -6.306
65 HE22 GLN 49 2HE2 GLN 49 1.863 -5.730 -7.831
66 H MET 50 HN MET 50 -1.672 -7.912 -2.379
67 HA MET 50 HA MET 50 -3.898 -6.407 -3.378
68 HB2 MET 50 3HB MET 50 -3.895 -8.613 -2.006
69 HB3 MET 50 2HB MET 50 -3.746 -7.542 -0.603
70 HG2 MET 50 3HG MET 50 -5.817 -6.405 -1.217
71 HG3 MET 50 2HG MET 50 -5.957 -7.438 -2.642
72 HE1 MET 50 3HE MET 50 -4.869 -10.268 -1.257
73 HE2 MET 50 1HE MET 50 -6.465 -10.980 -1.019
74 HE3 MET 50 2HE MET 50 -6.112 -10.082 -2.495
75 H LYS 51 HN LYS 51 -1.476 -5.981 -0.874
76 HA LYS 51 HA LYS 51 -2.611 -3.889 0.564
77 HB2 LYS 51 3HB LYS 51 0.099 -4.962 0.134
78 HB3 LYS 51 2HB LYS 51 0.047 -3.258 0.611
79 HG2 LYS 51 3HG LYS 51 -1.359 -3.887 2.561
80 HG3 LYS 51 2HG LYS 51 -1.130 -5.587 2.112
81 HD2 LYS 51 3HD LYS 51 1.342 -5.236 2.282
82 HD3 LYS 51 2HD LYS 51 1.007 -3.616 2.918
83 HE2 LYS 51 3HE LYS 51 1.191 -4.745 4.897
84 HE3 LYS 51 2HE LYS 51 -0.534 -4.980 4.584
85 HZ1 LYS 51 3HZ LYS 51 0.352 -7.092 3.340
86 HZ2 LYS 51 1HZ LYS 51 0.098 -7.109 5.012
87 HZ3 LYS 51 2HZ LYS 51 1.661 -6.909 4.397
88 H VAL 52 HN VAL 52 -0.738 -3.829 -2.430
89 HA VAL 52 HA VAL 52 -0.863 -0.934 -2.583
90 HB VAL 52 HB VAL 52 0.135 -2.850 -4.690
91 HG11 VAL 52 1HG1 VAL 52 0.680 -1.055 -5.889
92 HG12 VAL 52 2HG1 VAL 52 -0.316 -0.115 -4.778
93 HG13 VAL 52 3HG1 VAL 52 1.420 -0.264 -4.498
94 HG21 VAL 52 3HG2 VAL 52 1.543 -3.394 -2.956
95 HG22 VAL 52 1HG2 VAL 52 2.404 -2.029 -3.668
96 HG23 VAL 52 2HG2 VAL 52 1.427 -1.796 -2.218
97 H ASP 53 HN ASP 53 -2.108 -3.702 -4.437
98 HA ASP 53 HA ASP 53 -3.502 -2.354 -6.400
99 HB2 ASP 53 3HB ASP 53 -3.164 -4.859 -6.161
100 HB3 ASP 53 2HB ASP 53 -4.532 -4.845 -5.040
101 HD2 ASP 53 HD ASP 53 -6.747 -4.011 -7.697
102 H PHE 54 HN PHE 54 -4.310 -2.796 -3.038
103 HA PHE 54 HA PHE 54 -7.046 -2.169 -3.150
104 HB2 PHE 54 3HB PHE 54 -5.986 -3.171 -1.176
105 HB3 PHE 54 2HB PHE 54 -5.069 -1.686 -0.911
106 HD1 PHE 54 2HD PHE 54 -8.475 -3.110 -0.914
107 HD2 PHE 54 1HD PHE 54 -6.000 0.163 0.213
108 HE1 PHE 54 2HE PHE 54 -10.303 -2.206 0.462
109 HE2 PHE 54 1HE PHE 54 -7.823 1.072 1.593
110 HZ PHE 54 HZ PHE 54 -9.979 -0.112 1.717
111 H PHE 55 HN PHE 55 -4.556 -0.017 -1.795
112 HA PHE 55 HA PHE 55 -6.043 2.319 -1.970
113 HB2 PHE 55 3HB PHE 55 -3.091 1.764 -1.859
114 HB3 PHE 55 2HB PHE 55 -3.678 3.418 -2.039
115 HD1 PHE 55 1HD PHE 55 -5.180 4.397 -0.294
116 HD2 PHE 55 2HD PHE 55 -3.138 0.702 0.250
117 HE1 PHE 55 1HE PHE 55 -5.524 4.568 2.137
118 HE2 PHE 55 2HE PHE 55 -3.479 0.866 2.681
119 HZ PHE 55 HZ PHE 55 -4.674 2.801 3.628
120 H ARG 56 HN ARG 56 -4.299 0.610 -4.420
121 HA ARG 56 HA ARG 56 -3.859 2.663 -6.271
122 HB2 ARG 56 3HB ARG 56 -4.229 -0.307 -6.494
123 HB3 ARG 56 2HB ARG 56 -4.115 0.683 -7.956
124 HG2 ARG 56 3HG ARG 56 -2.017 1.231 -5.984
125 HG3 ARG 56 2HG ARG 56 -2.001 -0.414 -6.642
126 HD2 ARG 56 3HD ARG 56 -1.983 2.150 -8.253
127 HD3 ARG 56 2HD ARG 56 -0.607 1.072 -7.980
128 HE ARG 56 HE ARG 56 -2.709 0.720 -9.884
129 HH11 ARG 56 1HH1 ARG 56 -0.418 -0.959 -7.871
130 HH12 ARG 56 2HH1 ARG 56 -0.366 -2.367 -8.880
131 HH21 ARG 56 1HH2 ARG 56 -2.649 -1.128 -11.220
132 HH22 ARG 56 2HH2 ARG 56 -1.635 -2.461 -10.786
133 H LYS 57 HN LYS 57 -6.750 0.981 -5.370
134 HA LYS 57 HA LYS 57 -8.217 2.005 -7.678
135 HB2 LYS 57 3HB LYS 57 -9.904 0.498 -7.178
136 HB3 LYS 57 2HB LYS 57 -8.459 -0.370 -6.634
137 HG2 LYS 57 3HG LYS 57 -9.106 0.926 -4.358
138 HG3 LYS 57 2HG LYS 57 -10.711 0.714 -5.081
139 HD2 LYS 57 3HD LYS 57 -8.694 -1.494 -4.621
140 HD3 LYS 57 2HD LYS 57 -10.105 -1.158 -3.604
141 HE2 LYS 57 3HE LYS 57 -10.099 -2.038 -6.499
142 HE3 LYS 57 2HE LYS 57 -10.656 -2.957 -5.093
143 HZ1 LYS 57 3HZ LYS 57 -11.936 -0.661 -6.417
144 HZ2 LYS 57 1HZ LYS 57 -12.268 -0.985 -4.790
145 HZ3 LYS 57 2HZ LYS 57 -12.607 -2.148 -5.972
146 H LEU 58 HN LEU 58 -7.647 2.700 -4.357
147 HA LEU 58 HA LEU 58 -9.986 4.090 -3.692
148 HB2 LEU 58 3HB LEU 58 -7.191 4.005 -2.704
149 HB3 LEU 58 2HB LEU 58 -8.156 5.421 -2.255
150 HG LEU 58 HG LEU 58 -8.129 3.599 -0.553
151 HD11 LEU 58 1HD1 LEU 58 -9.891 5.171 -0.421
152 HD12 LEU 58 2HD1 LEU 58 -10.631 3.579 -0.257
153 HD13 LEU 58 3HD1 LEU 58 -10.736 4.446 -1.788
154 HD21 LEU 58 3HD2 LEU 58 -8.300 1.842 -2.500
155 HD22 LEU 58 1HD2 LEU 58 -10.033 2.062 -2.251
156 HD23 LEU 58 2HD2 LEU 58 -9.013 1.517 -0.919
157 H GLY 59 HN GLY 59 -7.425 4.897 -5.824
158 HA2 GLY 59 2HA GLY 59 -7.915 6.690 -7.421
159 HA3 GLY 59 3HA GLY 59 -8.526 7.628 -6.068
160 H TYR 60 HN TYR 60 -5.662 5.759 -5.603
161 HA TYR 60 HA TYR 60 -4.122 8.243 -5.401
162 HB2 TYR 60 3HB TYR 60 -3.815 5.491 -4.227
163 HB3 TYR 60 2HB TYR 60 -2.439 6.595 -4.288
164 HD1 TYR 60 1HD TYR 60 -2.858 8.997 -3.314
165 HD2 TYR 60 2HD TYR 60 -5.211 5.581 -2.366
166 HE1 TYR 60 1HE TYR 60 -3.611 10.096 -1.246
167 HE2 TYR 60 2HE TYR 60 -5.970 6.671 -0.296
168 HH TYR 60 HH TYR 60 -6.217 9.031 0.559
169 H SER 61 HN SER 61 -1.613 7.641 -5.781
170 HA SER 61 HA SER 61 -1.505 6.756 -8.576
171 HB2 SER 61 1HB SER 61 0.813 8.094 -7.235
172 HB3 SER 61 2HB SER 61 0.255 8.213 -8.913
173 HG SER 61 HG SER 61 -1.327 9.608 -8.305
174 H SER 62 HN SER 62 -0.263 5.080 -9.232
175 HA SER 62 HA SER 62 0.416 3.040 -7.482
176 HB2 SER 62 1HB SER 62 1.741 2.092 -9.376
177 HB3 SER 62 2HB SER 62 0.113 2.608 -9.847
178 HG SER 62 HG SER 62 1.119 3.727 -11.310
179 H SER 63 HN SER 63 2.460 5.583 -8.854
180 HA SER 63 HA SER 63 4.909 4.679 -7.815
181 HB2 SER 63 1HB SER 63 5.181 7.427 -7.892
182 HB3 SER 63 2HB SER 63 5.457 6.326 -9.254
183 HG SER 63 HG SER 63 3.378 8.083 -8.799
184 H GLU 64 HN GLU 64 2.273 6.425 -6.373
185 HA GLU 64 HA GLU 64 3.758 7.340 -4.093
186 HB2 GLU 64 3HB GLU 64 0.781 7.154 -4.612
187 HB3 GLU 64 2HB GLU 64 1.505 7.913 -3.186
188 HG2 GLU 64 3HG GLU 64 2.419 8.854 -5.851
189 HG3 GLU 64 2HG GLU 64 0.790 9.301 -5.325
190 HE2 GLU 64 HE GLU 64 3.668 10.618 -2.924
191 H ILE 65 HN ILE 65 1.203 4.892 -4.537
192 HA ILE 65 HA ILE 65 1.370 3.830 -1.938
193 HB ILE 65 HB ILE 65 0.450 2.464 -4.470
194 HG12 ILE 65 1HG1 ILE 65 -1.313 3.650 -2.341
195 HG13 ILE 65 2HG1 ILE 65 -0.670 4.661 -3.645
196 HG21 ILE 65 1HG2 ILE 65 -0.856 1.040 -2.883
197 HG22 ILE 65 2HG2 ILE 65 0.890 0.801 -2.818
198 HG23 ILE 65 3HG2 ILE 65 0.082 1.749 -1.568
199 HD11 ILE 65 3HD1 ILE 65 -1.835 3.483 -5.298
200 HD12 ILE 65 1HD1 ILE 65 -2.193 2.143 -4.210
201 HD13 ILE 65 2HD1 ILE 65 -2.988 3.701 -3.982
202 H HIS 66 HN HIS 66 3.075 3.056 -4.916
203 HA HIS 66 HA HIS 66 4.331 0.699 -3.901
204 HB2 HIS 66 3HB HIS 66 3.927 1.389 -6.361
205 HB3 HIS 66 2HB HIS 66 5.396 2.353 -6.179
206 HD1 HIS 66 1HD HIS 66 7.576 1.180 -6.493
207 HD2 HIS 66 2HD HIS 66 4.427 -1.471 -5.933
208 HE1 HIS 66 1HE HIS 66 8.543 -1.106 -6.896
209 HE2 HIS 66 2HE HIS 66 6.619 -2.727 -6.553
210 H SER 67 HN SER 67 5.032 4.097 -3.814
211 HA SER 67 HA SER 67 7.809 3.859 -3.200
212 HB2 SER 67 1HB SER 67 7.299 5.959 -4.046
213 HB3 SER 67 2HB SER 67 5.792 6.072 -3.121
214 HG SER 67 HG SER 67 8.374 6.137 -1.948
215 H VAL 68 HN VAL 68 5.048 4.859 -1.169
216 HA VAL 68 HA VAL 68 6.349 4.854 1.273
217 HB VAL 68 HB VAL 68 4.132 4.511 2.310
218 HG11 VAL 68 1HG1 VAL 68 4.751 6.740 1.632
219 HG12 VAL 68 2HG1 VAL 68 4.201 6.429 -0.016
220 HG13 VAL 68 3HG1 VAL 68 3.037 6.491 1.307
221 HG21 VAL 68 3HG2 VAL 68 2.319 4.586 0.263
222 HG22 VAL 68 1HG2 VAL 68 3.532 3.463 -0.351
223 HG23 VAL 68 2HG2 VAL 68 2.743 3.150 1.195
224 H LEU 69 HN LEU 69 4.981 2.172 -0.531
225 HA LEU 69 HA LEU 69 5.292 0.278 1.609
226 HB2 LEU 69 3HB LEU 69 4.371 0.236 -1.207
227 HB3 LEU 69 2HB LEU 69 5.041 -1.276 -0.569
228 HG LEU 69 HG LEU 69 2.557 -1.097 -0.428
229 HD11 LEU 69 1HD1 LEU 69 2.819 -2.607 1.170
230 HD12 LEU 69 2HD1 LEU 69 3.005 -1.318 2.360
231 HD13 LEU 69 3HD1 LEU 69 4.422 -1.965 1.533
232 HD21 LEU 69 3HD2 LEU 69 1.626 0.315 1.369
233 HD22 LEU 69 1HD2 LEU 69 2.346 1.259 0.065
234 HD23 LEU 69 2HD2 LEU 69 3.215 1.052 1.586
235 H GLN 70 HN GLN 70 7.173 1.344 -1.139
236 HA GLN 70 HA GLN 70 9.023 -0.778 -1.224
237 HB2 GLN 70 3HB GLN 70 8.891 0.714 -3.084
238 HB3 GLN 70 2HB GLN 70 9.241 2.114 -2.057
239 HG2 GLN 70 3HG GLN 70 11.503 1.288 -1.662
240 HG3 GLN 70 2HG GLN 70 11.158 -0.123 -2.673
241 HE21 GLN 70 1HE2 GLN 70 11.793 0.002 -4.696
242 HE22 GLN 70 2HE2 GLN 70 12.062 1.453 -5.594
243 H LYS 71 HN LYS 71 8.708 1.965 0.873
244 HA LYS 71 HA LYS 71 11.368 1.506 2.013
245 HB2 LYS 71 3HB LYS 71 10.604 3.831 1.429
246 HB3 LYS 71 2HB LYS 71 9.391 3.681 2.712
247 HG2 LYS 71 3HG LYS 71 11.286 3.239 4.315
248 HG3 LYS 71 2HG LYS 71 12.382 3.709 3.003
249 HD2 LYS 71 3HD LYS 71 11.426 5.914 2.893
250 HD3 LYS 71 2HD LYS 71 10.151 5.456 4.037
251 HE2 LYS 71 3HE LYS 71 13.114 5.566 4.650
252 HE3 LYS 71 2HE LYS 71 11.909 6.773 5.123
253 HZ1 LYS 71 3HZ LYS 71 12.539 4.268 6.350
254 HZ2 LYS 71 1HZ LYS 71 10.882 4.424 6.048
255 HZ3 LYS 71 2HZ LYS 71 11.686 5.589 6.974
256 H LEU 72 HN LEU 72 7.946 1.573 2.914
257 HA LEU 72 HA LEU 72 8.364 0.909 5.644
258 HB2 LEU 72 3HB LEU 72 5.991 0.839 3.800
259 HB3 LEU 72 2HB LEU 72 5.892 0.190 5.447
260 HG LEU 72 HG LEU 72 6.886 2.973 5.099
261 HD11 LEU 72 1HD1 LEU 72 4.949 3.893 4.451
262 HD12 LEU 72 2HD1 LEU 72 3.978 2.747 5.375
263 HD13 LEU 72 3HD1 LEU 72 4.603 2.295 3.789
264 HD21 LEU 72 3HD2 LEU 72 6.007 3.284 7.247
265 HD22 LEU 72 1HD2 LEU 72 6.698 1.662 7.285
266 HD23 LEU 72 2HD2 LEU 72 4.955 1.873 7.118
267 H GLY 73 HN GLY 73 7.104 -1.057 2.938
268 HA2 GLY 73 2HA GLY 73 7.758 -3.271 2.451
269 HA3 GLY 73 3HA GLY 73 8.486 -3.382 4.045
270 H VAL 74 HN VAL 74 7.524 -5.045 5.026
271 HA VAL 74 HA VAL 74 4.631 -5.400 4.744
272 HB VAL 74 HB VAL 74 6.594 -7.246 6.107
273 HG11 VAL 74 1HG1 VAL 74 4.638 -8.851 5.341
274 HG12 VAL 74 2HG1 VAL 74 4.559 -7.958 6.862
275 HG13 VAL 74 3HG1 VAL 74 3.699 -7.361 5.442
276 HG21 VAL 74 3HG2 VAL 74 6.244 -8.587 3.935
277 HG22 VAL 74 1HG2 VAL 74 5.737 -7.047 3.242
278 HG23 VAL 74 2HG2 VAL 74 7.361 -7.222 3.905
279 H GLN 75 HN GLN 75 7.000 -4.306 6.976
280 HA GLN 75 HA GLN 75 5.629 -4.805 9.397
281 HB2 GLN 75 3HB GLN 75 7.686 -2.708 8.669
282 HB3 GLN 75 2HB GLN 75 7.112 -3.011 10.318
283 HG2 GLN 75 3HG GLN 75 7.854 -5.453 9.881
284 HG3 GLN 75 2HG GLN 75 8.800 -4.743 8.566
285 HE21 GLN 75 1HE2 GLN 75 10.271 -2.974 9.151
286 HE22 GLN 75 2HE2 GLN 75 11.059 -3.035 10.688
287 H ALA 76 HN ALA 76 5.193 -2.476 6.904
288 HA ALA 76 HA ALA 76 4.077 -0.316 8.205
289 HB1 ALA 76 1HB ALA 76 2.612 -1.029 5.790
290 HB2 ALA 76 2HB ALA 76 3.592 0.394 6.145
291 HB3 ALA 76 3HB ALA 76 4.363 -1.090 5.586
292 H ASP 77 HN ASP 77 1.690 0.294 8.127
293 HA ASP 77 HA ASP 77 -0.078 -1.963 8.708
294 HB2 ASP 77 3HB ASP 77 -0.141 0.396 10.560
295 HB3 ASP 77 2HB ASP 77 -0.685 -1.264 10.838
296 HD2 ASP 77 HD ASP 77 2.941 -0.312 11.876
297 H THR 78 HN THR 78 -2.365 -1.337 8.778
298 HA THR 78 HA THR 78 -3.171 0.111 6.573
299 HB THR 78 HB THR 78 -4.874 -0.143 9.049
300 HG1 THR 78 1HG THR 78 -5.459 -2.220 8.018
301 HG21 THR 78 3HG2 THR 78 -6.695 0.051 7.648
302 HG22 THR 78 1HG2 THR 78 -5.807 -0.525 6.238
303 HG23 THR 78 2HG2 THR 78 -5.540 1.111 6.840
304 H ASN 79 HN ASN 79 -2.451 1.237 9.796
305 HA ASN 79 HA ASN 79 -3.628 3.838 9.398
306 HB2 ASN 79 3HB ASN 79 -1.624 3.176 11.546
307 HB3 ASN 79 2HB ASN 79 -2.969 4.322 11.601
308 HD21 ASN 79 1HD2 ASN 79 -2.151 1.916 13.245
309 HD22 ASN 79 2HD2 ASN 79 -3.598 0.979 13.363
310 H THR 80 HN THR 80 -0.298 2.621 9.764
311 HA THR 80 HA THR 80 1.080 4.973 9.344
312 HB THR 80 HB THR 80 1.886 2.212 8.407
313 HG1 THR 80 1HG THR 80 2.644 1.930 10.420
314 HG21 THR 80 3HG2 THR 80 3.212 4.815 8.287
315 HG22 THR 80 1HG2 THR 80 3.588 3.315 7.442
316 HG23 THR 80 2HG2 THR 80 4.173 3.571 9.086
317 H VAL 81 HN VAL 81 -0.015 2.634 6.899
318 HA VAL 81 HA VAL 81 1.034 3.795 4.629
319 HB VAL 81 HB VAL 81 -1.694 2.512 4.828
320 HG11 VAL 81 1HG1 VAL 81 -1.107 1.828 2.453
321 HG12 VAL 81 2HG1 VAL 81 -1.507 3.528 2.710
322 HG13 VAL 81 3HG1 VAL 81 0.177 3.034 2.534
323 HG21 VAL 81 3HG2 VAL 81 -0.687 0.587 5.289
324 HG22 VAL 81 1HG2 VAL 81 0.293 0.741 3.832
325 HG23 VAL 81 2HG2 VAL 81 0.869 1.415 5.356
326 H LEU 82 HN LEU 82 -2.244 4.354 5.928
327 HA LEU 82 HA LEU 82 -3.049 6.327 4.177
328 HB2 LEU 82 3HB LEU 82 -3.679 6.152 7.128
329 HB3 LEU 82 2HB LEU 82 -4.601 7.056 5.917
330 HG LEU 82 HG LEU 82 -4.260 4.096 5.632
331 HD11 LEU 82 1HD1 LEU 82 -5.221 5.049 7.956
332 HD12 LEU 82 2HD1 LEU 82 -5.787 3.560 7.199
333 HD13 LEU 82 3HD1 LEU 82 -6.694 5.058 6.986
334 HD21 LEU 82 3HD2 LEU 82 -6.710 5.658 4.975
335 HD22 LEU 82 1HD2 LEU 82 -6.033 4.232 4.189
336 HD23 LEU 82 2HD2 LEU 82 -5.296 5.814 3.931
337 H GLY 83 HN GLY 83 -1.378 6.749 7.295
338 HA2 GLY 83 2HA GLY 83 -1.247 9.514 7.351
339 HA3 GLY 83 3HA GLY 83 -0.043 8.451 8.063
340 H GLU 84 HN GLU 84 1.074 7.262 5.870
341 HA GLU 84 HA GLU 84 2.982 9.074 5.040
342 HB2 GLU 84 3HB GLU 84 2.020 6.590 3.604
343 HB3 GLU 84 2HB GLU 84 3.528 7.446 3.252
344 HG2 GLU 84 3HG GLU 84 3.018 6.491 6.034
345 HG3 GLU 84 2HG GLU 84 3.515 5.335 4.791
346 HE2 GLU 84 HE GLU 84 6.588 7.233 4.433
347 H LEU 85 HN LEU 85 -0.058 8.194 3.475
348 HA LEU 85 HA LEU 85 0.428 9.830 1.166
349 HB2 LEU 85 3HB LEU 85 -2.206 8.703 2.121
350 HB3 LEU 85 2HB LEU 85 -1.789 9.236 0.484
351 HG LEU 85 HG LEU 85 -0.540 6.859 1.859
352 HD11 LEU 85 1HD1 LEU 85 -2.341 6.431 -0.414
353 HD12 LEU 85 2HD1 LEU 85 -3.129 6.986 1.063
354 HD13 LEU 85 3HD1 LEU 85 -2.156 5.515 1.082
355 HD21 LEU 85 3HD2 LEU 85 0.384 8.313 -0.269
356 HD22 LEU 85 1HD2 LEU 85 -0.537 7.031 -1.055
357 HD23 LEU 85 2HD2 LEU 85 0.768 6.624 0.060
358 H VAL 86 HN VAL 86 -1.104 10.228 4.269
359 HA VAL 86 HA VAL 86 -2.617 12.546 3.673
360 HB VAL 86 HB VAL 86 -1.485 11.645 6.325
361 HG11 VAL 86 1HG1 VAL 86 -3.422 13.798 5.566
362 HG12 VAL 86 2HG1 VAL 86 -3.512 13.016 7.146
363 HG13 VAL 86 3HG1 VAL 86 -2.046 13.873 6.667
364 HG21 VAL 86 3HG2 VAL 86 -3.582 10.597 4.686
365 HG22 VAL 86 1HG2 VAL 86 -3.003 10.026 6.251
366 HG23 VAL 86 2HG2 VAL 86 -4.270 11.250 6.172
367 H LYS 87 HN LYS 87 0.659 12.063 4.924
368 HA LYS 87 HA LYS 87 1.139 14.909 5.120
369 HB2 LYS 87 3HB LYS 87 2.650 12.420 5.767
370 HB3 LYS 87 2HB LYS 87 3.577 13.902 5.486
371 HG2 LYS 87 3HG LYS 87 1.801 14.905 7.186
372 HG3 LYS 87 2HG LYS 87 1.734 13.210 7.703
373 HD2 LYS 87 3HD LYS 87 4.299 14.789 7.427
374 HD3 LYS 87 2HD LYS 87 3.399 14.609 8.943
375 HE2 LYS 87 3HE LYS 87 3.700 12.214 8.917
376 HE3 LYS 87 2HE LYS 87 4.439 12.297 7.311
377 HZ1 LYS 87 3HZ LYS 87 5.602 12.854 9.902
378 HZ2 LYS 87 1HZ LYS 87 6.012 13.960 8.690
379 HZ3 LYS 87 2HZ LYS 87 6.337 12.316 8.477
380 H HIS 88 HN HIS 88 2.250 12.215 3.093
381 HA HIS 88 HA HIS 88 3.427 14.171 1.238
382 HB2 HIS 88 3HB HIS 88 3.961 11.231 1.678
383 HB3 HIS 88 2HB HIS 88 4.574 12.109 0.273
384 HD1 HIS 88 1HD HIS 88 5.944 14.450 1.084
385 HD2 HIS 88 2HD HIS 88 5.808 11.190 3.655
386 HE1 HIS 88 1HE HIS 88 7.855 14.776 2.687
387 HE2 HIS 88 2HE HIS 88 7.774 12.783 4.256
388 H GLY 89 HN GLY 89 0.864 14.303 0.917
389 HA2 GLY 89 2HA GLY 89 0.258 13.763 -1.669
390 HA3 GLY 89 3HA GLY 89 -0.191 12.277 -0.848
Start of MODEL 4
1 H1 GLY 41 HN GLY 41 -8.796 -27.097 -5.251
2 HA2 GLY 41 2HA GLY 41 -10.435 -25.050 -4.505
3 HA3 GLY 41 3HA GLY 41 -9.671 -26.131 -3.349
4 HA PRO 42 HA PRO 42 -7.235 -22.890 -1.694
5 HB2 PRO 42 3HB PRO 42 -4.740 -23.989 -1.430
6 HB3 PRO 42 2HB PRO 42 -6.117 -24.447 -0.427
7 HG2 PRO 42 3HG PRO 42 -5.019 -25.786 -2.877
8 HG3 PRO 42 2HG PRO 42 -5.534 -26.518 -1.311
9 HD2 PRO 42 3HD PRO 42 -7.089 -26.567 -3.536
10 HD3 PRO 42 2HD PRO 42 -7.761 -26.448 -1.901
11 H HIS 43 HN HIS 43 -7.283 -21.374 -3.391
12 HA HIS 43 HA HIS 43 -5.364 -21.494 -5.533
13 HB2 HIS 43 3HB HIS 43 -6.285 -19.326 -6.211
14 HB3 HIS 43 2HB HIS 43 -7.570 -20.499 -5.906
15 HD1 HIS 43 1HD HIS 43 -9.444 -19.634 -4.556
16 HD2 HIS 43 2HD HIS 43 -5.903 -17.621 -3.738
17 HE1 HIS 43 1HE HIS 43 -10.055 -17.844 -2.899
18 HE2 HIS 43 2HE HIS 43 -7.891 -16.614 -2.398
19 H MET 44 HN MET 44 -4.245 -19.181 -5.930
20 HA MET 44 HA MET 44 -2.595 -18.739 -3.539
21 HB2 MET 44 3HB MET 44 -1.519 -19.560 -5.671
22 HB3 MET 44 2HB MET 44 -1.923 -17.992 -6.385
23 HG2 MET 44 3HG MET 44 0.308 -17.783 -5.713
24 HG3 MET 44 2HG MET 44 -0.632 -16.944 -4.475
25 HE1 MET 44 3HE MET 44 1.390 -18.150 -1.647
26 HE2 MET 44 1HE MET 44 1.175 -16.865 -2.836
27 HE3 MET 44 2HE MET 44 -0.199 -17.420 -1.880
28 H THR 45 HN THR 45 -2.192 -16.689 -2.767
29 HA THR 45 HA THR 45 -3.512 -14.434 -4.095
30 HB THR 45 HB THR 45 -3.845 -15.008 -1.145
31 HG1 THR 45 1HG THR 45 -5.961 -15.001 -3.008
32 HG21 THR 45 3HG2 THR 45 -3.827 -12.627 -1.686
33 HG22 THR 45 1HG2 THR 45 -5.446 -13.149 -1.223
34 HG23 THR 45 2HG2 THR 45 -5.057 -12.888 -2.923
35 H SER 46 HN SER 46 -2.204 -12.735 -4.218
36 HA SER 46 HA SER 46 0.230 -12.715 -2.597
37 HB2 SER 46 1HB SER 46 -0.596 -11.301 -5.136
38 HB3 SER 46 2HB SER 46 0.837 -10.805 -4.217
39 HG SER 46 HG SER 46 1.861 -12.560 -4.826
40 H GLU 47 HN GLU 47 -0.486 -11.945 -0.625
41 HA GLU 47 HA GLU 47 -2.222 -9.807 -0.198
42 HB2 GLU 47 3HB GLU 47 0.032 -10.926 1.467
43 HB3 GLU 47 2HB GLU 47 -1.018 -9.621 2.041
44 HG2 GLU 47 3HG GLU 47 -2.947 -11.264 1.424
45 HG3 GLU 47 2HG GLU 47 -1.670 -12.485 1.536
46 HE2 GLU 47 HE GLU 47 -2.992 -10.817 4.858
47 H LEU 48 HN LEU 48 1.263 -9.856 -0.717
48 HA LEU 48 HA LEU 48 1.790 -7.170 -0.082
49 HB2 LEU 48 3HB LEU 48 3.819 -7.458 -1.497
50 HB3 LEU 48 2HB LEU 48 3.596 -8.711 -0.262
51 HG LEU 48 HG LEU 48 2.461 -9.975 -2.318
52 HD11 LEU 48 1HD1 LEU 48 4.678 -8.687 -3.801
53 HD12 LEU 48 2HD1 LEU 48 3.168 -7.787 -3.656
54 HD13 LEU 48 3HD1 LEU 48 3.172 -9.390 -4.391
55 HD21 LEU 48 3HD2 LEU 48 5.336 -9.777 -1.497
56 HD22 LEU 48 1HD2 LEU 48 4.832 -10.873 -2.784
57 HD23 LEU 48 2HD2 LEU 48 4.164 -11.053 -1.161
58 H GLN 49 HN GLN 49 0.619 -8.707 -3.008
59 HA GLN 49 HA GLN 49 0.911 -6.367 -4.643
60 HB2 GLN 49 3HB GLN 49 -0.235 -9.097 -4.966
61 HB3 GLN 49 2HB GLN 49 -0.815 -7.833 -6.060
62 HG2 GLN 49 3HG GLN 49 2.125 -8.241 -5.677
63 HG3 GLN 49 2HG GLN 49 1.204 -9.306 -6.746
64 HE21 GLN 49 1HE2 GLN 49 2.794 -6.354 -6.457
65 HE22 GLN 49 2HE2 GLN 49 2.313 -5.660 -7.965
66 H MET 50 HN MET 50 -1.762 -7.951 -2.943
67 HA MET 50 HA MET 50 -3.817 -6.270 -3.860
68 HB2 MET 50 3HB MET 50 -4.126 -8.460 -2.695
69 HB3 MET 50 2HB MET 50 -3.674 -7.660 -1.182
70 HG2 MET 50 3HG MET 50 -5.593 -6.054 -1.600
71 HG3 MET 50 2HG MET 50 -6.098 -7.162 -2.879
72 HE1 MET 50 3HE MET 50 -7.256 -10.200 -1.520
73 HE2 MET 50 1HE MET 50 -5.895 -9.626 -2.483
74 HE3 MET 50 2HE MET 50 -5.612 -10.344 -0.897
75 H LYS 51 HN LYS 51 -1.484 -5.925 -1.274
76 HA LYS 51 HA LYS 51 -2.635 -3.898 0.222
77 HB2 LYS 51 3HB LYS 51 0.172 -4.736 -0.360
78 HB3 LYS 51 2HB LYS 51 -0.088 -3.188 0.457
79 HG2 LYS 51 3HG LYS 51 -1.642 -4.650 2.014
80 HG3 LYS 51 2HG LYS 51 -0.588 -5.949 1.427
81 HD2 LYS 51 3HD LYS 51 0.483 -3.375 2.587
82 HD3 LYS 51 2HD LYS 51 0.135 -4.809 3.571
83 HE2 LYS 51 3HE LYS 51 1.907 -4.964 1.138
84 HE3 LYS 51 2HE LYS 51 2.535 -4.481 2.721
85 HZ1 LYS 51 3HZ LYS 51 2.810 -6.853 2.335
86 HZ2 LYS 51 1HZ LYS 51 1.140 -7.038 2.140
87 HZ3 LYS 51 2HZ LYS 51 1.769 -6.576 3.640
88 H VAL 52 HN VAL 52 -0.789 -3.695 -2.781
89 HA VAL 52 HA VAL 52 -0.923 -0.804 -2.828
90 HB VAL 52 HB VAL 52 -0.026 -2.646 -5.044
91 HG11 VAL 52 1HG1 VAL 52 1.257 -0.052 -4.785
92 HG12 VAL 52 2HG1 VAL 52 0.521 -0.815 -6.195
93 HG13 VAL 52 3HG1 VAL 52 -0.481 0.076 -5.049
94 HG21 VAL 52 3HG2 VAL 52 1.482 -3.260 -3.441
95 HG22 VAL 52 1HG2 VAL 52 2.285 -1.815 -4.057
96 HG23 VAL 52 2HG2 VAL 52 1.344 -1.734 -2.567
97 H ASP 53 HN ASP 53 -2.274 -3.488 -4.730
98 HA ASP 53 HA ASP 53 -3.731 -2.049 -6.583
99 HB2 ASP 53 3HB ASP 53 -3.411 -4.555 -6.491
100 HB3 ASP 53 2HB ASP 53 -4.696 -4.596 -5.276
101 HD2 ASP 53 HD ASP 53 -7.053 -4.648 -7.739
102 H PHE 54 HN PHE 54 -4.385 -2.589 -3.208
103 HA PHE 54 HA PHE 54 -7.127 -1.936 -3.193
104 HB2 PHE 54 3HB PHE 54 -6.001 -3.055 -1.314
105 HB3 PHE 54 2HB PHE 54 -5.072 -1.588 -1.000
106 HD1 PHE 54 1HD PHE 54 -8.380 -3.136 -0.777
107 HD2 PHE 54 2HD PHE 54 -6.061 0.334 0.054
108 HE1 PHE 54 1HE PHE 54 -10.162 -2.304 0.702
109 HE2 PHE 54 2HE PHE 54 -7.839 1.173 1.534
110 HZ PHE 54 HZ PHE 54 -9.892 -0.147 1.860
111 H PHE 55 HN PHE 55 -4.551 0.101 -1.822
112 HA PHE 55 HA PHE 55 -5.995 2.467 -1.817
113 HB2 PHE 55 3HB PHE 55 -3.074 1.808 -1.797
114 HB3 PHE 55 2HB PHE 55 -3.564 3.491 -2.000
115 HD1 PHE 55 2HD PHE 55 -3.564 0.638 0.299
116 HD2 PHE 55 1HD PHE 55 -4.559 4.744 -0.215
117 HE1 PHE 55 2HE PHE 55 -3.854 0.869 2.731
118 HE2 PHE 55 1HE PHE 55 -4.850 4.982 2.216
119 HZ PHE 55 HZ PHE 55 -4.498 3.042 3.692
120 H ARG 56 HN ARG 56 -4.385 0.862 -4.427
121 HA ARG 56 HA ARG 56 -3.987 2.997 -6.189
122 HB2 ARG 56 3HB ARG 56 -4.429 0.050 -6.543
123 HB3 ARG 56 2HB ARG 56 -4.369 1.109 -7.959
124 HG2 ARG 56 3HG ARG 56 -2.163 1.548 -6.091
125 HG3 ARG 56 2HG ARG 56 -2.214 -0.085 -6.776
126 HD2 ARG 56 3HD ARG 56 -2.315 2.471 -8.395
127 HD3 ARG 56 2HD ARG 56 -0.862 1.499 -8.117
128 HE ARG 56 HE ARG 56 -2.555 -0.303 -9.171
129 HH11 ARG 56 1HH1 ARG 56 -1.627 2.904 -10.158
130 HH12 ARG 56 2HH1 ARG 56 -1.848 2.588 -11.848
131 HH21 ARG 56 1HH2 ARG 56 -2.848 -0.731 -11.391
132 HH22 ARG 56 2HH2 ARG 56 -2.543 0.520 -12.548
133 H LYS 57 HN LYS 57 -6.871 1.293 -5.275
134 HA LYS 57 HA LYS 57 -8.416 2.475 -7.448
135 HB2 LYS 57 3HB LYS 57 -10.113 0.982 -6.946
136 HB3 LYS 57 2HB LYS 57 -8.665 0.057 -6.515
137 HG2 LYS 57 3HG LYS 57 -9.178 1.249 -4.149
138 HG3 LYS 57 2HG LYS 57 -10.817 1.106 -4.805
139 HD2 LYS 57 3HD LYS 57 -10.757 -1.207 -4.856
140 HD3 LYS 57 2HD LYS 57 -8.986 -1.252 -4.917
141 HE2 LYS 57 3HE LYS 57 -9.189 -1.825 -2.737
142 HE3 LYS 57 2HE LYS 57 -9.329 -0.075 -2.523
143 HZ1 LYS 57 3HZ LYS 57 -11.873 -0.858 -3.079
144 HZ2 LYS 57 1HZ LYS 57 -11.257 -0.526 -1.540
145 HZ3 LYS 57 2HZ LYS 57 -11.293 -2.117 -2.110
146 H LEU 58 HN LEU 58 -7.683 2.997 -4.130
147 HA LEU 58 HA LEU 58 -9.962 4.402 -3.297
148 HB2 LEU 58 3HB LEU 58 -7.137 4.193 -2.430
149 HB3 LEU 58 2HB LEU 58 -8.037 5.616 -1.876
150 HG LEU 58 HG LEU 58 -8.044 3.800 -0.224
151 HD11 LEU 58 1HD1 LEU 58 -10.298 5.204 -1.247
152 HD12 LEU 58 2HD1 LEU 58 -9.973 4.684 0.406
153 HD13 LEU 58 3HD1 LEU 58 -10.822 3.609 -0.707
154 HD21 LEU 58 3HD2 LEU 58 -9.410 2.276 -2.433
155 HD22 LEU 58 1HD2 LEU 58 -9.466 1.794 -0.737
156 HD23 LEU 58 2HD2 LEU 58 -7.921 1.855 -1.586
157 H GLY 59 HN GLY 59 -7.488 5.251 -5.506
158 HA2 GLY 59 2HA GLY 59 -8.028 7.144 -6.978
159 HA3 GLY 59 3HA GLY 59 -8.497 8.029 -5.535
160 H TYR 60 HN TYR 60 -5.673 6.002 -5.525
161 HA TYR 60 HA TYR 60 -4.012 8.423 -5.342
162 HB2 TYR 60 3HB TYR 60 -3.752 5.670 -4.146
163 HB3 TYR 60 2HB TYR 60 -2.359 6.747 -4.266
164 HD1 TYR 60 1HD TYR 60 -2.624 9.123 -3.247
165 HD2 TYR 60 2HD TYR 60 -5.144 5.835 -2.276
166 HE1 TYR 60 1HE TYR 60 -3.274 10.247 -1.159
167 HE2 TYR 60 2HE TYR 60 -5.803 6.951 -0.185
168 HH TYR 60 HH TYR 60 -5.686 8.827 1.017
169 H SER 61 HN SER 61 -1.558 7.646 -5.833
170 HA SER 61 HA SER 61 -1.660 6.621 -8.589
171 HB2 SER 61 1HB SER 61 -0.435 8.928 -7.449
172 HB3 SER 61 2HB SER 61 0.856 7.847 -8.001
173 HG SER 61 HG SER 61 -1.334 8.779 -9.551
174 H SER 62 HN SER 62 -0.269 5.023 -9.267
175 HA SER 62 HA SER 62 0.473 3.052 -7.445
176 HB2 SER 62 1HB SER 62 2.024 2.320 -9.449
177 HB3 SER 62 2HB SER 62 0.261 2.238 -9.603
178 HG SER 62 HG SER 62 0.486 3.523 -11.236
179 H SER 63 HN SER 63 2.417 5.597 -8.953
180 HA SER 63 HA SER 63 4.911 4.809 -7.943
181 HB2 SER 63 1HB SER 63 3.757 7.329 -9.050
182 HB3 SER 63 2HB SER 63 5.278 7.452 -8.147
183 HG SER 63 HG SER 63 5.871 7.050 -10.219
184 H GLU 64 HN GLU 64 2.221 6.341 -6.433
185 HA GLU 64 HA GLU 64 3.750 7.388 -4.210
186 HB2 GLU 64 3HB GLU 64 0.751 7.127 -4.528
187 HB3 GLU 64 2HB GLU 64 1.602 8.095 -3.313
188 HG2 GLU 64 3HG GLU 64 2.470 8.808 -5.971
189 HG3 GLU 64 2HG GLU 64 0.711 8.925 -5.818
190 HE2 GLU 64 HE GLU 64 2.640 11.888 -4.478
191 H ILE 65 HN ILE 65 1.178 4.942 -4.563
192 HA ILE 65 HA ILE 65 1.417 3.907 -1.959
193 HB ILE 65 HB ILE 65 0.400 2.533 -4.448
194 HG12 ILE 65 1HG1 ILE 65 -1.328 3.663 -2.277
195 HG13 ILE 65 2HG1 ILE 65 -0.656 4.753 -3.502
196 HG21 ILE 65 1HG2 ILE 65 -0.922 1.233 -2.653
197 HG22 ILE 65 2HG2 ILE 65 0.760 0.797 -2.949
198 HG23 ILE 65 3HG2 ILE 65 0.339 1.785 -1.551
199 HD11 ILE 65 3HD1 ILE 65 -2.978 3.851 -3.936
200 HD12 ILE 65 1HD1 ILE 65 -1.810 3.696 -5.247
201 HD13 ILE 65 2HD1 ILE 65 -2.205 2.298 -4.247
202 H HIS 66 HN HIS 66 2.646 2.620 -5.049
203 HA HIS 66 HA HIS 66 4.011 0.424 -4.033
204 HB2 HIS 66 3HB HIS 66 3.572 1.294 -6.503
205 HB3 HIS 66 2HB HIS 66 5.207 1.934 -6.314
206 HD1 HIS 66 1HD HIS 66 7.137 0.177 -5.915
207 HD2 HIS 66 2HD HIS 66 3.448 -1.439 -6.933
208 HE1 HIS 66 1HE HIS 66 7.606 -2.200 -6.589
209 HE2 HIS 66 2HE HIS 66 5.352 -3.189 -7.211
210 H SER 67 HN SER 67 4.823 3.789 -3.945
211 HA SER 67 HA SER 67 7.613 3.431 -3.410
212 HB2 SER 67 1HB SER 67 7.255 5.541 -4.263
213 HB3 SER 67 2HB SER 67 5.709 5.728 -3.419
214 HG SER 67 HG SER 67 7.899 6.812 -2.687
215 H VAL 68 HN VAL 68 4.994 4.701 -1.343
216 HA VAL 68 HA VAL 68 6.345 4.626 1.066
217 HB VAL 68 HB VAL 68 4.109 4.459 2.152
218 HG11 VAL 68 1HG1 VAL 68 4.556 6.422 -0.077
219 HG12 VAL 68 2HG1 VAL 68 3.178 6.545 1.019
220 HG13 VAL 68 3HG1 VAL 68 4.822 6.641 1.652
221 HG21 VAL 68 3HG2 VAL 68 2.115 4.505 0.668
222 HG22 VAL 68 1HG2 VAL 68 3.169 4.124 -0.693
223 HG23 VAL 68 2HG2 VAL 68 2.986 2.973 0.630
224 H LEU 69 HN LEU 69 4.622 2.045 -0.597
225 HA LEU 69 HA LEU 69 4.725 0.173 1.534
226 HB2 LEU 69 3HB LEU 69 4.001 0.169 -1.322
227 HB3 LEU 69 2HB LEU 69 4.599 -1.377 -0.693
228 HG LEU 69 HG LEU 69 2.128 -1.173 -0.670
229 HD11 LEU 69 1HD1 LEU 69 1.868 -2.280 1.347
230 HD12 LEU 69 2HD1 LEU 69 3.085 -1.298 2.162
231 HD13 LEU 69 3HD1 LEU 69 3.579 -2.520 0.991
232 HD21 LEU 69 3HD2 LEU 69 2.545 0.850 1.522
233 HD22 LEU 69 1HD2 LEU 69 1.018 0.307 0.826
234 HD23 LEU 69 2HD2 LEU 69 2.131 1.279 -0.138
235 H GLN 70 HN GLN 70 6.941 1.083 -1.000
236 HA GLN 70 HA GLN 70 8.652 -1.198 -0.694
237 HB2 GLN 70 3HB GLN 70 8.643 -0.121 -2.824
238 HB3 GLN 70 2HB GLN 70 8.997 1.452 -2.093
239 HG2 GLN 70 3HG GLN 70 10.957 0.526 -3.207
240 HG3 GLN 70 2HG GLN 70 11.212 0.698 -1.463
241 HE21 GLN 70 1HE2 GLN 70 12.416 -0.899 -0.749
242 HE22 GLN 70 2HE2 GLN 70 12.270 -2.563 -1.187
243 H LYS 71 HN LYS 71 8.524 2.065 0.591
244 HA LYS 71 HA LYS 71 11.099 1.866 1.876
245 HB2 LYS 71 3HB LYS 71 9.829 3.991 1.009
246 HB3 LYS 71 2HB LYS 71 9.052 3.928 2.599
247 HG2 LYS 71 3HG LYS 71 11.120 4.205 3.733
248 HG3 LYS 71 2HG LYS 71 12.035 3.957 2.237
249 HD2 LYS 71 3HD LYS 71 10.048 6.189 2.354
250 HD3 LYS 71 2HD LYS 71 11.607 6.378 3.177
251 HE2 LYS 71 3HE LYS 71 11.522 5.417 0.333
252 HE3 LYS 71 2HE LYS 71 11.349 7.139 0.699
253 HZ1 LYS 71 3HZ LYS 71 13.619 5.475 1.642
254 HZ2 LYS 71 1HZ LYS 71 13.465 7.155 1.769
255 HZ3 LYS 71 2HZ LYS 71 13.663 6.437 0.250
256 H LEU 72 HN LEU 72 7.781 1.244 2.683
257 HA LEU 72 HA LEU 72 8.319 1.081 5.531
258 HB2 LEU 72 3HB LEU 72 5.881 0.765 3.808
259 HB3 LEU 72 2HB LEU 72 5.881 0.202 5.490
260 HG LEU 72 HG LEU 72 6.716 3.008 4.971
261 HD11 LEU 72 1HD1 LEU 72 4.110 1.906 4.241
262 HD12 LEU 72 2HD1 LEU 72 4.855 3.445 3.812
263 HD13 LEU 72 3HD1 LEU 72 4.026 3.268 5.359
264 HD21 LEU 72 3HD2 LEU 72 5.836 3.386 7.119
265 HD22 LEU 72 1HD2 LEU 72 6.662 1.831 7.224
266 HD23 LEU 72 2HD2 LEU 72 4.904 1.888 7.092
267 H GLY 73 HN GLY 73 7.056 -1.162 3.054
268 HA2 GLY 73 2HA GLY 73 7.914 -3.359 2.723
269 HA3 GLY 73 3HA GLY 73 8.556 -3.322 4.358
270 H VAL 74 HN VAL 74 7.624 -5.014 5.339
271 HA VAL 74 HA VAL 74 4.756 -5.476 4.977
272 HB VAL 74 HB VAL 74 6.764 -7.201 6.433
273 HG11 VAL 74 1HG1 VAL 74 3.914 -7.642 5.568
274 HG12 VAL 74 2HG1 VAL 74 4.995 -8.952 6.050
275 HG13 VAL 74 3HG1 VAL 74 4.571 -7.686 7.204
276 HG21 VAL 74 3HG2 VAL 74 6.772 -8.608 4.441
277 HG22 VAL 74 1HG2 VAL 74 5.699 -7.473 3.622
278 HG23 VAL 74 2HG2 VAL 74 7.335 -6.981 4.060
279 H GLN 75 HN GLN 75 7.024 -4.255 7.256
280 HA GLN 75 HA GLN 75 5.571 -4.705 9.639
281 HB2 GLN 75 3HB GLN 75 7.005 -2.988 10.628
282 HB3 GLN 75 2HB GLN 75 7.947 -4.123 9.648
283 HG2 GLN 75 3HG GLN 75 7.994 -2.510 7.804
284 HG3 GLN 75 2HG GLN 75 7.070 -1.372 8.796
285 HE21 GLN 75 1HE2 GLN 75 10.133 -3.018 8.445
286 HE22 GLN 75 2HE2 GLN 75 11.046 -1.942 9.442
287 H ALA 76 HN ALA 76 5.196 -2.456 7.062
288 HA ALA 76 HA ALA 76 3.988 -0.282 8.256
289 HB1 ALA 76 1HB ALA 76 4.397 -1.125 5.673
290 HB2 ALA 76 2HB ALA 76 2.638 -1.084 5.803
291 HB3 ALA 76 3HB ALA 76 3.582 0.363 6.157
292 H ASP 77 HN ASP 77 1.596 0.280 8.060
293 HA ASP 77 HA ASP 77 -0.161 -1.989 8.614
294 HB2 ASP 77 3HB ASP 77 -0.321 0.389 10.435
295 HB3 ASP 77 2HB ASP 77 -0.858 -1.274 10.711
296 HD2 ASP 77 HD ASP 77 2.173 -2.199 12.035
297 H THR 78 HN THR 78 -2.452 -1.401 8.575
298 HA THR 78 HA THR 78 -3.185 0.025 6.331
299 HB THR 78 HB THR 78 -4.887 -0.440 8.788
300 HG1 THR 78 1HG THR 78 -4.610 -2.000 6.416
301 HG21 THR 78 3HG2 THR 78 -5.719 0.037 5.925
302 HG22 THR 78 1HG2 THR 78 -5.804 1.238 7.212
303 HG23 THR 78 2HG2 THR 78 -6.788 -0.222 7.303
304 H ASN 79 HN ASN 79 -2.623 1.176 9.575
305 HA ASN 79 HA ASN 79 -3.827 3.754 9.118
306 HB2 ASN 79 3HB ASN 79 -3.560 2.489 11.368
307 HB3 ASN 79 2HB ASN 79 -1.914 3.134 11.355
308 HD21 ASN 79 1HD2 ASN 79 -5.156 3.765 12.060
309 HD22 ASN 79 2HD2 ASN 79 -5.002 5.443 12.440
310 H THR 80 HN THR 80 -0.497 2.583 9.600
311 HA THR 80 HA THR 80 0.866 4.955 9.244
312 HB THR 80 HB THR 80 1.732 2.206 8.325
313 HG1 THR 80 1HG THR 80 2.110 3.625 10.769
314 HG21 THR 80 3HG2 THR 80 3.020 4.815 8.196
315 HG22 THR 80 1HG2 THR 80 3.469 3.297 7.423
316 HG23 THR 80 2HG2 THR 80 3.975 3.625 9.080
317 H VAL 81 HN VAL 81 -0.162 2.637 6.754
318 HA VAL 81 HA VAL 81 0.964 3.796 4.520
319 HB VAL 81 HB VAL 81 -1.788 2.554 4.627
320 HG11 VAL 81 1HG1 VAL 81 0.167 3.077 2.408
321 HG12 VAL 81 2HG1 VAL 81 -1.095 1.851 2.273
322 HG13 VAL 81 3HG1 VAL 81 -1.531 3.543 2.516
323 HG21 VAL 81 3HG2 VAL 81 0.744 1.414 5.235
324 HG22 VAL 81 1HG2 VAL 81 -0.827 0.620 5.139
325 HG23 VAL 81 2HG2 VAL 81 0.188 0.740 3.702
326 H LEU 82 HN LEU 82 -2.283 4.447 5.842
327 HA LEU 82 HA LEU 82 -3.046 6.421 4.046
328 HB2 LEU 82 3HB LEU 82 -3.731 6.263 6.986
329 HB3 LEU 82 2HB LEU 82 -4.622 7.162 5.746
330 HG LEU 82 HG LEU 82 -4.304 4.220 5.405
331 HD11 LEU 82 1HD1 LEU 82 -5.858 3.612 6.964
332 HD12 LEU 82 2HD1 LEU 82 -6.600 5.212 7.014
333 HD13 LEU 82 3HD1 LEU 82 -5.060 4.928 7.825
334 HD21 LEU 82 3HD2 LEU 82 -5.476 6.051 3.882
335 HD22 LEU 82 1HD2 LEU 82 -6.823 5.727 4.975
336 HD23 LEU 82 2HD2 LEU 82 -6.114 4.413 4.038
337 H GLY 83 HN GLY 83 -1.518 6.847 7.242
338 HA2 GLY 83 2HA GLY 83 -1.303 9.603 7.256
339 HA3 GLY 83 3HA GLY 83 -0.164 8.521 8.043
340 H GLU 84 HN GLU 84 0.913 7.253 5.796
341 HA GLU 84 HA GLU 84 2.968 8.974 5.084
342 HB2 GLU 84 3HB GLU 84 1.908 6.491 3.728
343 HB3 GLU 84 2HB GLU 84 3.371 7.330 3.191
344 HG2 GLU 84 3HG GLU 84 2.993 6.271 5.987
345 HG3 GLU 84 2HG GLU 84 3.755 5.357 4.678
346 HE2 GLU 84 HE GLU 84 6.101 7.542 6.674
347 H LEU 85 HN LEU 85 -0.117 8.383 3.515
348 HA LEU 85 HA LEU 85 0.571 10.070 1.252
349 HB2 LEU 85 3HB LEU 85 -2.150 8.937 1.873
350 HB3 LEU 85 2HB LEU 85 -1.483 9.419 0.303
351 HG LEU 85 HG LEU 85 -0.401 7.084 1.860
352 HD11 LEU 85 1HD1 LEU 85 -2.183 6.592 -0.436
353 HD12 LEU 85 2HD1 LEU 85 -2.961 7.135 1.049
354 HD13 LEU 85 3HD1 LEU 85 -1.969 5.677 1.057
355 HD21 LEU 85 3HD2 LEU 85 0.440 6.407 -0.331
356 HD22 LEU 85 1HD2 LEU 85 1.040 8.002 0.119
357 HD23 LEU 85 2HD2 LEU 85 -0.267 7.852 -1.055
358 H VAL 86 HN VAL 86 -1.081 10.291 4.285
359 HA VAL 86 HA VAL 86 -2.704 12.540 3.756
360 HB VAL 86 HB VAL 86 -1.499 11.638 6.376
361 HG11 VAL 86 1HG1 VAL 86 -3.419 13.794 5.664
362 HG12 VAL 86 2HG1 VAL 86 -3.682 12.895 7.160
363 HG13 VAL 86 3HG1 VAL 86 -2.167 13.762 6.904
364 HG21 VAL 86 3HG2 VAL 86 -3.097 10.083 6.514
365 HG22 VAL 86 1HG2 VAL 86 -4.342 11.200 5.953
366 HG23 VAL 86 2HG2 VAL 86 -3.341 10.337 4.785
367 H LYS 87 HN LYS 87 0.679 12.190 4.356
368 HA LYS 87 HA LYS 87 0.950 15.123 4.450
369 HB2 LYS 87 3HB LYS 87 2.592 12.987 5.819
370 HB3 LYS 87 2HB LYS 87 3.136 14.665 5.655
371 HG2 LYS 87 3HG LYS 87 0.442 14.243 6.820
372 HG3 LYS 87 2HG LYS 87 1.840 13.769 7.802
373 HD2 LYS 87 3HD LYS 87 2.746 15.962 7.762
374 HD3 LYS 87 2HD LYS 87 1.626 16.468 6.486
375 HE2 LYS 87 3HE LYS 87 0.634 15.540 9.175
376 HE3 LYS 87 2HE LYS 87 1.125 17.215 8.887
377 HZ1 LYS 87 3HZ LYS 87 -1.336 16.107 8.358
378 HZ2 LYS 87 1HZ LYS 87 -0.620 16.306 6.838
379 HZ3 LYS 87 2HZ LYS 87 -0.787 17.632 7.873
380 H HIS 88 HN HIS 88 2.384 12.081 3.354
381 HA HIS 88 HA HIS 88 3.700 11.571 1.569
382 HB2 HIS 88 3HB HIS 88 1.886 12.965 0.429
383 HB3 HIS 88 2HB HIS 88 3.044 14.297 0.456
384 HD1 HIS 88 1HD HIS 88 2.718 14.047 -2.237
385 HD2 HIS 88 2HD HIS 88 4.857 11.052 -0.311
386 HE1 HIS 88 1HE HIS 88 3.998 12.864 -4.049
387 HE2 HIS 88 2HE HIS 88 5.305 11.033 -2.874
388 H GLY 89 HN GLY 89 4.750 13.063 3.908
389 HA2 GLY 89 2HA GLY 89 7.080 13.379 4.319
390 HA3 GLY 89 3HA GLY 89 7.269 13.906 2.653
Start of MODEL 5
1 H1 GLY 41 HN GLY 41 3.657 -16.089 -7.922
2 HA2 GLY 41 2HA GLY 41 1.286 -15.962 -7.608
3 HA3 GLY 41 3HA GLY 41 1.456 -14.242 -7.293
4 HA PRO 42 HA PRO 42 1.871 -14.879 -12.086
5 HB2 PRO 42 3HB PRO 42 1.066 -17.317 -13.039
6 HB3 PRO 42 2HB PRO 42 2.725 -16.957 -12.565
7 HG2 PRO 42 3HG PRO 42 0.553 -18.311 -11.004
8 HG3 PRO 42 2HG PRO 42 2.283 -18.781 -11.192
9 HD2 PRO 42 3HD PRO 42 1.340 -17.524 -8.979
10 HD3 PRO 42 2HD PRO 42 2.972 -17.252 -9.611
11 H HIS 43 HN HIS 43 -0.722 -16.533 -10.352
12 HA HIS 43 HA HIS 43 -2.667 -15.096 -12.034
13 HB2 HIS 43 3HB HIS 43 -3.013 -17.855 -10.835
14 HB3 HIS 43 2HB HIS 43 -4.206 -16.989 -11.807
15 HD1 HIS 43 1HD HIS 43 -2.658 -19.790 -12.446
16 HD2 HIS 43 2HD HIS 43 -2.099 -16.083 -14.236
17 HE1 HIS 43 1HE HIS 43 -1.664 -20.277 -14.704
18 HE2 HIS 43 2HE HIS 43 -1.321 -18.011 -15.799
19 H MET 44 HN MET 44 -2.012 -16.543 -8.871
20 HA MET 44 HA MET 44 -4.304 -15.463 -7.590
21 HB2 MET 44 3HB MET 44 -3.160 -16.063 -5.489
22 HB3 MET 44 2HB MET 44 -3.147 -17.387 -6.662
23 HG2 MET 44 3HG MET 44 -0.824 -16.663 -7.317
24 HG3 MET 44 2HG MET 44 -0.869 -15.571 -5.932
25 HE1 MET 44 3HE MET 44 -2.002 -17.637 -3.246
26 HE2 MET 44 1HE MET 44 -0.291 -17.321 -2.960
27 HE3 MET 44 2HE MET 44 -1.296 -16.095 -3.733
28 H THR 45 HN THR 45 -3.618 -14.161 -5.382
29 HA THR 45 HA THR 45 -2.048 -11.825 -6.242
30 HB THR 45 HB THR 45 -4.643 -11.637 -4.705
31 HG1 THR 45 1HG THR 45 -5.598 -11.638 -6.584
32 HG21 THR 45 3HG2 THR 45 -4.223 -9.446 -4.466
33 HG22 THR 45 1HG2 THR 45 -3.645 -9.288 -6.124
34 HG23 THR 45 2HG2 THR 45 -2.553 -9.852 -4.859
35 H SER 46 HN SER 46 -0.336 -11.800 -4.936
36 HA SER 46 HA SER 46 -0.246 -12.964 -2.369
37 HB2 SER 46 1HB SER 46 1.927 -11.713 -2.144
38 HB3 SER 46 2HB SER 46 1.796 -12.699 -3.611
39 HG SER 46 HG SER 46 2.254 -10.915 -4.615
40 H GLU 47 HN GLU 47 -0.387 -12.108 -0.331
41 HA GLU 47 HA GLU 47 -2.172 -10.065 0.178
42 HB2 GLU 47 3HB GLU 47 0.018 -11.287 1.846
43 HB3 GLU 47 2HB GLU 47 -1.017 -10.002 2.485
44 HG2 GLU 47 3HG GLU 47 -2.971 -11.534 1.717
45 HG3 GLU 47 2HG GLU 47 -1.733 -12.798 1.729
46 HE2 GLU 47 HE GLU 47 -1.785 -13.010 5.152
47 H LEU 48 HN LEU 48 1.273 -9.899 -0.375
48 HA LEU 48 HA LEU 48 1.613 -7.224 0.553
49 HB2 LEU 48 3HB LEU 48 3.777 -7.332 -0.658
50 HB3 LEU 48 2HB LEU 48 3.513 -8.666 0.478
51 HG LEU 48 HG LEU 48 2.648 -9.849 -1.761
52 HD11 LEU 48 1HD1 LEU 48 3.407 -7.558 -2.879
53 HD12 LEU 48 2HD1 LEU 48 3.558 -9.110 -3.702
54 HD13 LEU 48 3HD1 LEU 48 4.960 -8.395 -2.907
55 HD21 LEU 48 3HD2 LEU 48 5.409 -9.597 -0.620
56 HD22 LEU 48 1HD2 LEU 48 5.084 -10.641 -2.004
57 HD23 LEU 48 2HD2 LEU 48 4.259 -10.927 -0.472
58 H GLN 49 HN GLN 49 0.866 -8.698 -2.547
59 HA GLN 49 HA GLN 49 1.150 -6.284 -4.055
60 HB2 GLN 49 3HB GLN 49 0.189 -9.053 -4.574
61 HB3 GLN 49 2HB GLN 49 -0.371 -7.780 -5.668
62 HG2 GLN 49 3HG GLN 49 2.546 -8.043 -5.051
63 HG3 GLN 49 2HG GLN 49 1.777 -9.110 -6.234
64 HE21 GLN 49 1HE2 GLN 49 2.833 -5.901 -5.541
65 HE22 GLN 49 2HE2 GLN 49 2.571 -5.243 -7.116
66 H MET 50 HN MET 50 -1.517 -7.970 -2.494
67 HA MET 50 HA MET 50 -3.619 -6.453 -3.592
68 HB2 MET 50 3HB MET 50 -3.814 -8.637 -2.342
69 HB3 MET 50 2HB MET 50 -3.586 -7.713 -0.849
70 HG2 MET 50 3HG MET 50 -5.596 -6.394 -1.347
71 HG3 MET 50 2HG MET 50 -5.823 -7.334 -2.826
72 HE1 MET 50 3HE MET 50 -4.858 -10.336 -1.507
73 HE2 MET 50 1HE MET 50 -6.521 -10.919 -1.437
74 HE3 MET 50 2HE MET 50 -5.983 -9.956 -2.812
75 H LYS 51 HN LYS 51 -1.456 -5.894 -0.898
76 HA LYS 51 HA LYS 51 -2.821 -3.887 0.456
77 HB2 LYS 51 3HB LYS 51 0.043 -4.640 0.126
78 HB3 LYS 51 2HB LYS 51 -0.313 -3.051 0.820
79 HG2 LYS 51 3HG LYS 51 -1.889 -4.359 2.412
80 HG3 LYS 51 2HG LYS 51 -0.931 -5.764 1.908
81 HD2 LYS 51 3HD LYS 51 1.110 -4.732 2.677
82 HD3 LYS 51 2HD LYS 51 0.247 -3.227 3.041
83 HE2 LYS 51 3HE LYS 51 0.567 -4.383 5.111
84 HE3 LYS 51 2HE LYS 51 -1.144 -4.508 4.678
85 HZ1 LYS 51 3HZ LYS 51 -0.834 -6.733 3.943
86 HZ2 LYS 51 1HZ LYS 51 -0.130 -6.612 5.477
87 HZ3 LYS 51 2HZ LYS 51 0.848 -6.629 4.097
88 H VAL 52 HN VAL 52 -0.748 -3.681 -2.399
89 HA VAL 52 HA VAL 52 -0.969 -0.810 -2.555
90 HB VAL 52 HB VAL 52 0.113 -2.786 -4.569
91 HG11 VAL 52 1HG1 VAL 52 -0.482 0.001 -4.791
92 HG12 VAL 52 2HG1 VAL 52 1.264 -0.236 -4.886
93 HG13 VAL 52 3HG1 VAL 52 0.195 -1.091 -5.999
94 HG21 VAL 52 3HG2 VAL 52 2.074 -2.755 -3.490
95 HG22 VAL 52 1HG2 VAL 52 1.982 -1.019 -3.192
96 HG23 VAL 52 2HG2 VAL 52 1.156 -2.144 -2.113
97 H ASP 53 HN ASP 53 -2.197 -3.568 -4.434
98 HA ASP 53 HA ASP 53 -3.602 -2.214 -6.384
99 HB2 ASP 53 3HB ASP 53 -3.243 -4.755 -6.043
100 HB3 ASP 53 2HB ASP 53 -4.727 -4.683 -5.084
101 HD2 ASP 53 HD ASP 53 -5.121 -4.934 -8.893
102 H PHE 54 HN PHE 54 -4.402 -2.685 -3.024
103 HA PHE 54 HA PHE 54 -7.143 -2.059 -3.137
104 HB2 PHE 54 3HB PHE 54 -6.023 -3.096 -1.184
105 HB3 PHE 54 2HB PHE 54 -5.209 -1.563 -0.864
106 HD1 PHE 54 1HD PHE 54 -6.498 0.418 -0.152
107 HD2 PHE 54 2HD PHE 54 -8.295 -3.420 -0.538
108 HE1 PHE 54 1HE PHE 54 -8.403 1.177 1.209
109 HE2 PHE 54 2HE PHE 54 -10.202 -2.668 0.821
110 HZ PHE 54 HZ PHE 54 -10.259 -0.368 1.696
111 H PHE 55 HN PHE 55 -4.621 0.058 -1.779
112 HA PHE 55 HA PHE 55 -6.106 2.404 -1.893
113 HB2 PHE 55 3HB PHE 55 -3.164 1.815 -1.790
114 HB3 PHE 55 2HB PHE 55 -3.715 3.479 -1.989
115 HD1 PHE 55 1HD PHE 55 -5.472 4.335 -0.281
116 HD2 PHE 55 2HD PHE 55 -2.969 0.950 0.354
117 HE1 PHE 55 1HE PHE 55 -5.818 4.538 2.147
118 HE2 PHE 55 2HE PHE 55 -3.312 1.149 2.782
119 HZ PHE 55 HZ PHE 55 -4.739 2.943 3.682
120 H ARG 56 HN ARG 56 -4.420 0.716 -4.391
121 HA ARG 56 HA ARG 56 -3.973 2.799 -6.212
122 HB2 ARG 56 3HB ARG 56 -4.384 -0.163 -6.489
123 HB3 ARG 56 2HB ARG 56 -4.252 0.856 -7.928
124 HG2 ARG 56 3HG ARG 56 -2.142 1.369 -5.978
125 HG3 ARG 56 2HG ARG 56 -2.161 -0.296 -6.583
126 HD2 ARG 56 3HD ARG 56 -2.117 2.204 -8.292
127 HD3 ARG 56 2HD ARG 56 -0.738 1.145 -7.958
128 HE ARG 56 HE ARG 56 -2.855 0.681 -9.838
129 HH11 ARG 56 1HH1 ARG 56 -0.454 -0.831 -7.822
130 HH12 ARG 56 2HH1 ARG 56 -0.358 -2.266 -8.787
131 HH21 ARG 56 1HH2 ARG 56 -2.738 -1.203 -11.117
132 HH22 ARG 56 2HH2 ARG 56 -1.657 -2.477 -10.662
133 H LYS 57 HN LYS 57 -6.862 1.052 -5.366
134 HA LYS 57 HA LYS 57 -8.346 2.140 -7.624
135 HB2 LYS 57 3HB LYS 57 -10.041 0.647 -7.114
136 HB3 LYS 57 2HB LYS 57 -8.599 -0.239 -6.594
137 HG2 LYS 57 3HG LYS 57 -9.207 1.046 -4.301
138 HG3 LYS 57 2HG LYS 57 -10.821 0.856 -5.005
139 HD2 LYS 57 3HD LYS 57 -10.713 -1.466 -4.988
140 HD3 LYS 57 2HD LYS 57 -8.942 -1.473 -4.917
141 HE2 LYS 57 3HE LYS 57 -9.265 -1.932 -2.731
142 HE3 LYS 57 2HE LYS 57 -9.520 -0.186 -2.609
143 HZ1 LYS 57 3HZ LYS 57 -11.729 -0.433 -2.302
144 HZ2 LYS 57 1HZ LYS 57 -11.269 -1.957 -1.726
145 HZ3 LYS 57 2HZ LYS 57 -11.850 -1.789 -3.305
146 H LEU 58 HN LEU 58 -7.735 2.815 -4.307
147 HA LEU 58 HA LEU 58 -10.057 4.223 -3.615
148 HB2 LEU 58 3HB LEU 58 -7.289 4.019 -2.626
149 HB3 LEU 58 2HB LEU 58 -8.127 5.528 -2.223
150 HG LEU 58 HG LEU 58 -8.323 3.922 -0.413
151 HD11 LEU 58 1HD1 LEU 58 -11.066 3.852 -1.501
152 HD12 LEU 58 2HD1 LEU 58 -10.306 5.439 -1.388
153 HD13 LEU 58 3HD1 LEU 58 -10.472 4.437 0.054
154 HD21 LEU 58 3HD2 LEU 58 -8.130 1.821 -1.427
155 HD22 LEU 58 1HD2 LEU 58 -9.433 2.151 -2.568
156 HD23 LEU 58 2HD2 LEU 58 -9.800 1.886 -0.863
157 H GLY 59 HN GLY 59 -7.516 5.010 -5.771
158 HA2 GLY 59 2HA GLY 59 -8.026 6.828 -7.344
159 HA3 GLY 59 3HA GLY 59 -8.561 7.769 -5.959
160 H TYR 60 HN TYR 60 -5.751 5.827 -5.552
161 HA TYR 60 HA TYR 60 -4.127 8.260 -5.420
162 HB2 TYR 60 3HB TYR 60 -3.810 5.486 -4.280
163 HB3 TYR 60 2HB TYR 60 -2.466 6.631 -4.313
164 HD1 TYR 60 2HD TYR 60 -3.035 9.031 -3.330
165 HD2 TYR 60 1HD TYR 60 -5.137 5.456 -2.376
166 HE1 TYR 60 2HE TYR 60 -3.824 10.059 -1.238
167 HE2 TYR 60 1HE TYR 60 -5.932 6.475 -0.284
168 HH TYR 60 HH TYR 60 -4.701 9.506 0.869
169 H SER 61 HN SER 61 -1.637 7.521 -5.842
170 HA SER 61 HA SER 61 -1.639 6.570 -8.626
171 HB2 SER 61 1HB SER 61 -0.260 8.746 -7.226
172 HB3 SER 61 2HB SER 61 0.829 7.742 -8.201
173 HG SER 61 HG SER 61 -1.069 9.528 -9.006
174 H SER 62 HN SER 62 -0.389 4.886 -9.244
175 HA SER 62 HA SER 62 0.390 2.944 -7.432
176 HB2 SER 62 1HB SER 62 1.915 2.182 -9.441
177 HB3 SER 62 2HB SER 62 0.150 2.128 -9.589
178 HG SER 62 HG SER 62 0.922 3.147 -11.398
179 H SER 63 HN SER 63 2.321 5.497 -8.934
180 HA SER 63 HA SER 63 4.824 4.680 -7.936
181 HB2 SER 63 1HB SER 63 4.997 6.234 -9.655
182 HB3 SER 63 2HB SER 63 3.718 7.262 -8.985
183 HG SER 63 HG SER 63 6.314 6.921 -7.885
184 H GLU 64 HN GLU 64 2.160 6.315 -6.463
185 HA GLU 64 HA GLU 64 3.693 7.381 -4.264
186 HB2 GLU 64 3HB GLU 64 0.707 7.131 -4.698
187 HB3 GLU 64 2HB GLU 64 1.461 7.967 -3.330
188 HG2 GLU 64 3HG GLU 64 2.297 8.802 -6.052
189 HG3 GLU 64 2HG GLU 64 0.662 9.229 -5.529
190 HE2 GLU 64 HE GLU 64 3.490 10.726 -3.183
191 H ILE 65 HN ILE 65 1.183 4.870 -4.585
192 HA ILE 65 HA ILE 65 1.438 3.901 -1.948
193 HB ILE 65 HB ILE 65 0.416 2.470 -4.404
194 HG12 ILE 65 1HG1 ILE 65 -1.297 3.632 -2.233
195 HG13 ILE 65 2HG1 ILE 65 -0.663 4.690 -3.504
196 HG21 ILE 65 1HG2 ILE 65 0.426 1.763 -1.500
197 HG22 ILE 65 2HG2 ILE 65 -0.883 1.209 -2.542
198 HG23 ILE 65 3HG2 ILE 65 0.782 0.752 -2.901
199 HD11 ILE 65 3HD1 ILE 65 -2.176 2.189 -4.157
200 HD12 ILE 65 1HD1 ILE 65 -2.985 3.726 -3.851
201 HD13 ILE 65 2HD1 ILE 65 -1.843 3.580 -5.188
202 H HIS 66 HN HIS 66 2.656 2.572 -5.024
203 HA HIS 66 HA HIS 66 4.047 0.405 -3.996
204 HB2 HIS 66 3HB HIS 66 3.598 1.161 -6.459
205 HB3 HIS 66 2HB HIS 66 5.157 1.975 -6.299
206 HD1 HIS 66 1HD HIS 66 7.110 0.617 -6.958
207 HD2 HIS 66 2HD HIS 66 3.918 -1.756 -5.758
208 HE1 HIS 66 1HE HIS 66 7.864 -1.755 -7.316
209 HE2 HIS 66 2HE HIS 66 5.915 -3.206 -6.584
210 H SER 67 HN SER 67 4.888 3.785 -4.031
211 HA SER 67 HA SER 67 7.657 3.460 -3.461
212 HB2 SER 67 1HB SER 67 7.303 5.574 -4.271
213 HB3 SER 67 2HB SER 67 5.720 5.718 -3.486
214 HG SER 67 HG SER 67 7.069 7.058 -2.375
215 H VAL 68 HN VAL 68 5.072 4.732 -1.355
216 HA VAL 68 HA VAL 68 6.443 4.632 1.036
217 HB VAL 68 HB VAL 68 4.200 4.422 2.138
218 HG11 VAL 68 1HG1 VAL 68 4.572 6.464 -0.045
219 HG12 VAL 68 2HG1 VAL 68 3.323 6.572 1.197
220 HG13 VAL 68 3HG1 VAL 68 5.027 6.606 1.652
221 HG21 VAL 68 3HG2 VAL 68 2.218 4.582 0.618
222 HG22 VAL 68 1HG2 VAL 68 3.289 4.174 -0.724
223 HG23 VAL 68 2HG2 VAL 68 3.039 3.021 0.587
224 H LEU 69 HN LEU 69 4.621 2.068 -0.570
225 HA LEU 69 HA LEU 69 4.801 0.187 1.539
226 HB2 LEU 69 3HB LEU 69 3.997 0.185 -1.301
227 HB3 LEU 69 2HB LEU 69 4.574 -1.366 -0.667
228 HG LEU 69 HG LEU 69 2.110 -1.107 -0.589
229 HD11 LEU 69 1HD1 LEU 69 1.878 -1.790 1.804
230 HD12 LEU 69 2HD1 LEU 69 3.584 -1.398 2.022
231 HD13 LEU 69 3HD1 LEU 69 3.109 -2.676 0.902
232 HD21 LEU 69 3HD2 LEU 69 2.011 1.288 -0.143
233 HD22 LEU 69 1HD2 LEU 69 2.730 1.032 1.448
234 HD23 LEU 69 2HD2 LEU 69 1.130 0.380 1.087
235 H GLN 70 HN GLN 70 6.931 1.082 -1.074
236 HA GLN 70 HA GLN 70 8.629 -1.211 -0.864
237 HB2 GLN 70 3HB GLN 70 8.582 -0.061 -2.956
238 HB3 GLN 70 2HB GLN 70 8.977 1.481 -2.181
239 HG2 GLN 70 3HG GLN 70 10.905 0.608 -3.354
240 HG3 GLN 70 2HG GLN 70 11.193 0.636 -1.609
241 HE21 GLN 70 1HE2 GLN 70 12.680 -0.957 -1.473
242 HE22 GLN 70 2HE2 GLN 70 12.372 -2.609 -1.873
243 H LYS 71 HN LYS 71 8.403 1.851 0.737
244 HA LYS 71 HA LYS 71 11.058 1.584 1.917
245 HB2 LYS 71 3HB LYS 71 10.094 3.791 1.081
246 HB3 LYS 71 2HB LYS 71 9.030 3.738 2.497
247 HG2 LYS 71 3HG LYS 71 11.330 3.381 3.767
248 HG3 LYS 71 2HG LYS 71 11.949 4.227 2.338
249 HD2 LYS 71 3HD LYS 71 10.250 6.020 2.739
250 HD3 LYS 71 2HD LYS 71 9.837 5.203 4.257
251 HE2 LYS 71 3HE LYS 71 12.374 5.371 4.778
252 HE3 LYS 71 2HE LYS 71 12.383 6.589 3.497
253 HZ1 LYS 71 3HZ LYS 71 11.015 7.994 4.703
254 HZ2 LYS 71 1HZ LYS 71 12.022 7.349 5.899
255 HZ3 LYS 71 2HZ LYS 71 10.446 6.764 5.715
256 H LEU 72 HN LEU 72 7.706 1.126 2.699
257 HA LEU 72 HA LEU 72 8.247 0.858 5.544
258 HB2 LEU 72 3HB LEU 72 5.826 0.989 3.823
259 HB3 LEU 72 2HB LEU 72 5.700 0.099 5.350
260 HG LEU 72 HG LEU 72 6.238 2.070 6.614
261 HD11 LEU 72 1HD1 LEU 72 7.868 3.031 5.052
262 HD12 LEU 72 2HD1 LEU 72 6.672 4.216 5.571
263 HD13 LEU 72 3HD1 LEU 72 6.552 3.485 3.970
264 HD21 LEU 72 3HD2 LEU 72 4.397 3.596 5.203
265 HD22 LEU 72 1HD2 LEU 72 4.048 2.432 6.481
266 HD23 LEU 72 2HD2 LEU 72 3.997 1.927 4.791
267 H GLY 73 HN GLY 73 6.769 -1.187 3.013
268 HA2 GLY 73 2HA GLY 73 7.412 -3.439 2.601
269 HA3 GLY 73 3HA GLY 73 8.099 -3.509 4.217
270 H VAL 74 HN VAL 74 7.046 -5.231 5.057
271 HA VAL 74 HA VAL 74 4.128 -5.345 4.847
272 HB VAL 74 HB VAL 74 6.020 -7.403 5.993
273 HG11 VAL 74 1HG1 VAL 74 3.900 -7.792 6.921
274 HG12 VAL 74 2HG1 VAL 74 3.073 -7.401 5.412
275 HG13 VAL 74 3HG1 VAL 74 4.001 -8.896 5.549
276 HG21 VAL 74 3HG2 VAL 74 5.181 -6.801 3.238
277 HG22 VAL 74 1HG2 VAL 74 6.608 -7.650 3.832
278 HG23 VAL 74 2HG2 VAL 74 5.066 -8.497 3.708
279 H GLN 75 HN GLN 75 6.643 -4.588 7.066
280 HA GLN 75 HA GLN 75 5.290 -5.106 9.494
281 HB2 GLN 75 3HB GLN 75 6.973 -3.724 10.546
282 HB3 GLN 75 2HB GLN 75 7.734 -4.751 9.321
283 HG2 GLN 75 3HG GLN 75 7.845 -2.901 7.765
284 HG3 GLN 75 2HG GLN 75 6.991 -1.864 8.916
285 HE21 GLN 75 1HE2 GLN 75 8.396 -0.401 9.586
286 HE22 GLN 75 2HE2 GLN 75 9.985 -0.724 10.179
287 H ALA 76 HN ALA 76 4.959 -2.642 7.135
288 HA ALA 76 HA ALA 76 4.102 -0.447 8.568
289 HB1 ALA 76 1HB ALA 76 4.214 -1.114 5.919
290 HB2 ALA 76 2HB ALA 76 2.478 -0.960 6.194
291 HB3 ALA 76 3HB ALA 76 3.552 0.387 6.567
292 H ASP 77 HN ASP 77 1.774 0.369 8.625
293 HA ASP 77 HA ASP 77 -0.066 -1.791 9.406
294 HB2 ASP 77 3HB ASP 77 -0.100 0.819 10.880
295 HB3 ASP 77 2HB ASP 77 -0.628 -0.781 11.417
296 HD2 ASP 77 HD ASP 77 2.778 0.273 12.659
297 H THR 78 HN THR 78 -2.354 -1.092 9.466
298 HA THR 78 HA THR 78 -3.178 0.007 7.059
299 HB THR 78 HB THR 78 -4.795 0.017 9.613
300 HG1 THR 78 1HG THR 78 -4.413 -2.035 7.670
301 HG21 THR 78 3HG2 THR 78 -6.718 -0.087 8.158
302 HG22 THR 78 1HG2 THR 78 -5.684 -0.180 6.734
303 HG23 THR 78 2HG2 THR 78 -5.728 1.298 7.697
304 H ASN 79 HN ASN 79 -2.323 1.580 10.034
305 HA ASN 79 HA ASN 79 -3.496 4.114 9.249
306 HB2 ASN 79 3HB ASN 79 -1.588 3.786 11.546
307 HB3 ASN 79 2HB ASN 79 -2.963 4.886 11.387
308 HD21 ASN 79 1HD2 ASN 79 -4.899 4.297 12.146
309 HD22 ASN 79 2HD2 ASN 79 -5.261 2.753 12.831
310 H THR 80 HN THR 80 -0.275 2.696 9.625
311 HA THR 80 HA THR 80 1.309 4.903 9.152
312 HB THR 80 HB THR 80 2.067 2.317 7.855
313 HG1 THR 80 1HG THR 80 2.173 2.690 10.671
314 HG21 THR 80 3HG2 THR 80 3.501 4.471 8.108
315 HG22 THR 80 1HG2 THR 80 4.233 2.905 8.453
316 HG23 THR 80 2HG2 THR 80 3.696 3.937 9.777
317 H VAL 81 HN VAL 81 0.028 2.630 6.722
318 HA VAL 81 HA VAL 81 1.056 3.789 4.440
319 HB VAL 81 HB VAL 81 -1.703 2.582 4.667
320 HG11 VAL 81 1HG1 VAL 81 -1.456 3.615 2.548
321 HG12 VAL 81 2HG1 VAL 81 0.186 2.993 2.359
322 HG13 VAL 81 3HG1 VAL 81 -1.190 1.890 2.297
323 HG21 VAL 81 3HG2 VAL 81 0.930 1.404 4.988
324 HG22 VAL 81 1HG2 VAL 81 -0.662 0.720 5.315
325 HG23 VAL 81 2HG2 VAL 81 0.012 0.647 3.687
326 H LEU 82 HN LEU 82 -2.191 4.399 5.793
327 HA LEU 82 HA LEU 82 -2.971 6.419 4.083
328 HB2 LEU 82 3HB LEU 82 -3.578 6.172 7.034
329 HB3 LEU 82 2HB LEU 82 -4.476 7.162 5.872
330 HG LEU 82 HG LEU 82 -4.256 4.223 5.403
331 HD11 LEU 82 1HD1 LEU 82 -5.023 4.946 7.843
332 HD12 LEU 82 2HD1 LEU 82 -5.784 3.617 6.969
333 HD13 LEU 82 3HD1 LEU 82 -6.550 5.205 6.999
334 HD21 LEU 82 3HD2 LEU 82 -6.598 6.050 4.975
335 HD22 LEU 82 1HD2 LEU 82 -6.237 4.510 4.193
336 HD23 LEU 82 2HD2 LEU 82 -5.279 5.940 3.808
337 H GLY 83 HN GLY 83 -1.257 6.746 7.188
338 HA2 GLY 83 2HA GLY 83 -1.072 9.503 7.314
339 HA3 GLY 83 3HA GLY 83 0.135 8.402 7.962
340 H GLU 84 HN GLU 84 1.236 7.273 5.765
341 HA GLU 84 HA GLU 84 3.103 9.116 4.912
342 HB2 GLU 84 3HB GLU 84 2.162 6.627 3.469
343 HB3 GLU 84 2HB GLU 84 3.665 7.499 3.128
344 HG2 GLU 84 3HG GLU 84 3.127 6.475 5.889
345 HG3 GLU 84 2HG GLU 84 3.712 5.383 4.624
346 HE2 GLU 84 HE GLU 84 6.459 7.151 6.429
347 H LEU 85 HN LEU 85 0.073 8.165 3.362
348 HA LEU 85 HA LEU 85 0.490 9.793 1.045
349 HB2 LEU 85 3HB LEU 85 -2.111 8.666 2.092
350 HB3 LEU 85 2HB LEU 85 -1.763 9.211 0.443
351 HG LEU 85 HG LEU 85 -0.434 6.840 1.749
352 HD11 LEU 85 1HD1 LEU 85 -2.965 6.701 1.374
353 HD12 LEU 85 2HD1 LEU 85 -1.956 5.421 0.699
354 HD13 LEU 85 3HD1 LEU 85 -2.573 6.701 -0.346
355 HD21 LEU 85 3HD2 LEU 85 -0.248 8.178 -0.890
356 HD22 LEU 85 1HD2 LEU 85 -0.199 6.415 -0.865
357 HD23 LEU 85 2HD2 LEU 85 0.989 7.343 0.050
358 H VAL 86 HN VAL 86 -0.946 10.244 4.183
359 HA VAL 86 HA VAL 86 -2.412 12.608 3.544
360 HB VAL 86 HB VAL 86 -1.444 11.612 6.228
361 HG11 VAL 86 1HG1 VAL 86 -3.474 13.050 6.960
362 HG12 VAL 86 2HG1 VAL 86 -1.935 13.842 6.617
363 HG13 VAL 86 3HG1 VAL 86 -3.230 13.871 5.418
364 HG21 VAL 86 3HG2 VAL 86 -3.055 10.088 6.109
365 HG22 VAL 86 1HG2 VAL 86 -4.250 11.362 5.867
366 HG23 VAL 86 2HG2 VAL 86 -3.450 10.628 4.478
367 H LYS 87 HN LYS 87 0.800 11.958 4.857
368 HA LYS 87 HA LYS 87 1.381 14.774 5.188
369 HB2 LYS 87 3HB LYS 87 2.802 12.207 5.749
370 HB3 LYS 87 2HB LYS 87 3.763 13.685 5.590
371 HG2 LYS 87 3HG LYS 87 1.970 14.630 7.287
372 HG3 LYS 87 2HG LYS 87 1.810 12.910 7.687
373 HD2 LYS 87 3HD LYS 87 4.461 14.360 7.606
374 HD3 LYS 87 2HD LYS 87 3.481 14.180 9.073
375 HE2 LYS 87 3HE LYS 87 3.826 11.896 9.203
376 HE3 LYS 87 2HE LYS 87 4.163 11.756 7.471
377 HZ1 LYS 87 3HZ LYS 87 5.999 11.984 9.546
378 HZ2 LYS 87 1HZ LYS 87 6.098 13.420 8.659
379 HZ3 LYS 87 2HZ LYS 87 6.316 11.932 7.886
380 H HIS 88 HN HIS 88 2.410 12.125 3.067
381 HA HIS 88 HA HIS 88 3.694 14.110 1.314
382 HB2 HIS 88 3HB HIS 88 4.227 11.204 1.844
383 HB3 HIS 88 2HB HIS 88 4.719 11.922 0.307
384 HD1 HIS 88 1HD HIS 88 7.051 12.706 0.310
385 HD2 HIS 88 2HD HIS 88 5.340 12.977 4.086
386 HE1 HIS 88 1HE HIS 88 8.866 13.592 1.808
387 HE2 HIS 88 2HE HIS 88 7.821 13.758 4.116
388 H GLY 89 HN GLY 89 1.210 14.375 0.853
389 HA2 GLY 89 2HA GLY 89 0.277 12.409 -1.105
390 HA3 GLY 89 3HA GLY 89 -0.679 13.707 -0.405
Start of MODEL 6
1 H1 GLY 41 HN GLY 41 -1.183 -25.597 -10.521
2 HA2 GLY 41 2HA GLY 41 0.601 -24.709 -9.246
3 HA3 GLY 41 3HA GLY 41 0.094 -23.091 -9.709
4 HA PRO 42 HA PRO 42 -1.270 -24.001 -5.331
5 HB2 PRO 42 3HB PRO 42 -0.068 -21.814 -4.207
6 HB3 PRO 42 2HB PRO 42 0.742 -23.365 -4.423
7 HG2 PRO 42 3HG PRO 42 0.847 -20.908 -6.142
8 HG3 PRO 42 2HG PRO 42 2.194 -21.970 -5.586
9 HD2 PRO 42 3HD PRO 42 1.145 -22.122 -8.085
10 HD3 PRO 42 2HD PRO 42 1.763 -23.539 -7.218
11 H HIS 43 HN HIS 43 -1.017 -20.892 -7.040
12 HA HIS 43 HA HIS 43 -2.483 -19.174 -7.316
13 HB2 HIS 43 3HB HIS 43 -4.636 -21.126 -6.479
14 HB3 HIS 43 2HB HIS 43 -4.823 -19.685 -7.482
15 HD1 HIS 43 1HD HIS 43 -5.162 -22.991 -8.051
16 HD2 HIS 43 2HD HIS 43 -2.592 -20.209 -9.759
17 HE1 HIS 43 1HE HIS 43 -4.499 -23.964 -10.274
18 HE2 HIS 43 2HE HIS 43 -2.927 -22.264 -11.318
19 H MET 44 HN MET 44 -1.198 -18.886 -5.055
20 HA MET 44 HA MET 44 -3.013 -18.686 -2.805
21 HB2 MET 44 3HB MET 44 -1.063 -17.907 -1.552
22 HB3 MET 44 2HB MET 44 -0.703 -19.403 -2.428
23 HG2 MET 44 3HG MET 44 0.564 -18.252 -4.078
24 HG3 MET 44 2HG MET 44 0.005 -16.685 -3.489
25 HE1 MET 44 3HE MET 44 1.981 -19.725 -3.095
26 HE2 MET 44 1HE MET 44 3.405 -19.253 -2.166
27 HE3 MET 44 2HE MET 44 1.959 -19.829 -1.335
28 H THR 45 HN THR 45 -3.164 -16.642 -1.568
29 HA THR 45 HA THR 45 -3.843 -14.475 -3.357
30 HB THR 45 HB THR 45 -4.070 -14.660 -0.346
31 HG1 THR 45 1HG THR 45 -6.220 -15.154 -0.771
32 HG21 THR 45 3HG2 THR 45 -5.847 -12.803 -0.940
33 HG22 THR 45 1HG2 THR 45 -4.782 -12.541 -2.320
34 HG23 THR 45 2HG2 THR 45 -4.153 -12.387 -0.680
35 H SER 46 HN SER 46 -2.335 -13.097 -4.016
36 HA SER 46 HA SER 46 0.120 -12.703 -2.599
37 HB2 SER 46 1HB SER 46 0.481 -10.910 -4.390
38 HB3 SER 46 2HB SER 46 0.269 -12.575 -4.963
39 HG SER 46 HG SER 46 -0.995 -10.869 -6.054
40 H GLU 47 HN GLU 47 -0.758 -11.965 -0.561
41 HA GLU 47 HA GLU 47 -2.331 -9.728 -0.154
42 HB2 GLU 47 3HB GLU 47 -1.215 -9.547 2.068
43 HB3 GLU 47 2HB GLU 47 -1.780 -11.181 1.681
44 HG2 GLU 47 3HG GLU 47 0.553 -11.726 0.938
45 HG3 GLU 47 2HG GLU 47 1.044 -10.158 1.594
46 HE2 GLU 47 HE GLU 47 1.534 -12.564 4.224
47 H LEU 48 HN LEU 48 1.185 -9.916 -0.554
48 HA LEU 48 HA LEU 48 1.819 -7.254 -0.059
49 HB2 LEU 48 3HB LEU 48 3.797 -7.656 -1.536
50 HB3 LEU 48 2HB LEU 48 3.563 -8.849 -0.246
51 HG LEU 48 HG LEU 48 2.314 -10.141 -2.222
52 HD11 LEU 48 1HD1 LEU 48 4.555 -8.985 -3.789
53 HD12 LEU 48 2HD1 LEU 48 3.059 -8.058 -3.671
54 HD13 LEU 48 3HD1 LEU 48 3.034 -9.692 -4.334
55 HD21 LEU 48 3HD2 LEU 48 4.771 -11.021 -2.729
56 HD22 LEU 48 1HD2 LEU 48 3.938 -11.373 -1.215
57 HD23 LEU 48 2HD2 LEU 48 5.127 -10.072 -1.285
58 H GLN 49 HN GLN 49 0.525 -8.782 -2.937
59 HA GLN 49 HA GLN 49 0.875 -6.469 -4.604
60 HB2 GLN 49 3HB GLN 49 -0.347 -9.168 -4.887
61 HB3 GLN 49 2HB GLN 49 -0.916 -7.900 -5.981
62 HG2 GLN 49 3HG GLN 49 2.016 -8.419 -5.640
63 HG3 GLN 49 2HG GLN 49 1.031 -9.408 -6.725
64 HE21 GLN 49 1HE2 GLN 49 2.603 -6.409 -6.263
65 HE22 GLN 49 2HE2 GLN 49 2.203 -5.704 -7.788
66 H MET 50 HN MET 50 -1.796 -7.934 -2.811
67 HA MET 50 HA MET 50 -3.832 -6.227 -3.732
68 HB2 MET 50 3HB MET 50 -4.252 -8.347 -2.547
69 HB3 MET 50 2HB MET 50 -3.616 -7.628 -1.060
70 HG2 MET 50 3HG MET 50 -5.465 -6.331 -0.708
71 HG3 MET 50 2HG MET 50 -5.846 -6.234 -2.427
72 HE1 MET 50 3HE MET 50 -5.140 -8.850 0.196
73 HE2 MET 50 1HE MET 50 -6.504 -9.968 0.142
74 HE3 MET 50 2HE MET 50 -5.255 -10.041 -1.101
75 H LYS 51 HN LYS 51 -1.420 -5.873 -1.222
76 HA LYS 51 HA LYS 51 -2.487 -3.782 0.256
77 HB2 LYS 51 3HB LYS 51 0.271 -4.730 -0.363
78 HB3 LYS 51 2HB LYS 51 0.097 -3.133 0.381
79 HG2 LYS 51 3HG LYS 51 -1.490 -4.505 2.028
80 HG3 LYS 51 2HG LYS 51 -0.416 -5.818 1.512
81 HD2 LYS 51 3HD LYS 51 1.535 -4.333 2.098
82 HD3 LYS 51 2HD LYS 51 0.364 -3.220 2.826
83 HE2 LYS 51 3HE LYS 51 1.306 -4.641 4.550
84 HE3 LYS 51 2HE LYS 51 -0.405 -5.030 4.314
85 HZ1 LYS 51 3HZ LYS 51 0.087 -7.095 3.692
86 HZ2 LYS 51 1HZ LYS 51 1.641 -6.815 4.302
87 HZ3 LYS 51 2HZ LYS 51 1.328 -6.600 2.654
88 H VAL 52 HN VAL 52 -0.581 -3.660 -2.732
89 HA VAL 52 HA VAL 52 -0.727 -0.779 -2.866
90 HB VAL 52 HB VAL 52 0.184 -2.693 -5.015
91 HG11 VAL 52 1HG1 VAL 52 1.463 -0.094 -4.870
92 HG12 VAL 52 2HG1 VAL 52 0.705 -0.905 -6.241
93 HG13 VAL 52 3HG1 VAL 52 -0.279 0.032 -5.117
94 HG21 VAL 52 3HG2 VAL 52 1.544 -1.658 -2.579
95 HG22 VAL 52 1HG2 VAL 52 1.677 -3.231 -3.367
96 HG23 VAL 52 2HG2 VAL 52 2.487 -1.826 -4.060
97 H ASP 53 HN ASP 53 -2.025 -3.483 -4.786
98 HA ASP 53 HA ASP 53 -3.487 -2.057 -6.640
99 HB2 ASP 53 3HB ASP 53 -3.113 -4.605 -6.419
100 HB3 ASP 53 2HB ASP 53 -4.562 -4.582 -5.408
101 HD2 ASP 53 HD ASP 53 -6.567 -3.696 -8.190
102 H PHE 54 HN PHE 54 -4.191 -2.661 -3.280
103 HA PHE 54 HA PHE 54 -6.935 -2.046 -3.290
104 HB2 PHE 54 3HB PHE 54 -5.796 -3.150 -1.405
105 HB3 PHE 54 2HB PHE 54 -4.916 -1.657 -1.070
106 HD1 PHE 54 2HD PHE 54 -8.157 -3.328 -0.859
107 HD2 PHE 54 1HD PHE 54 -5.997 0.252 -0.061
108 HE1 PHE 54 2HE PHE 54 -9.981 -2.557 0.600
109 HE2 PHE 54 1HE PHE 54 -7.818 1.028 1.400
110 HZ PHE 54 HZ PHE 54 -9.814 -0.376 1.731
111 H PHE 55 HN PHE 55 -4.409 0.036 -1.893
112 HA PHE 55 HA PHE 55 -5.903 2.373 -1.892
113 HB2 PHE 55 3HB PHE 55 -2.960 1.792 -1.870
114 HB3 PHE 55 2HB PHE 55 -3.511 3.462 -2.019
115 HD1 PHE 55 2HD PHE 55 -3.448 0.524 0.181
116 HD2 PHE 55 1HD PHE 55 -4.510 4.629 -0.190
117 HE1 PHE 55 2HE PHE 55 -3.745 0.664 2.619
118 HE2 PHE 55 1HE PHE 55 -4.807 4.775 2.249
119 HZ PHE 55 HZ PHE 55 -4.426 2.791 3.656
120 H ARG 56 HN ARG 56 -4.242 0.805 -4.491
121 HA ARG 56 HA ARG 56 -3.865 2.956 -6.239
122 HB2 ARG 56 3HB ARG 56 -4.250 0.004 -6.617
123 HB3 ARG 56 2HB ARG 56 -4.174 1.075 -8.022
124 HG2 ARG 56 3HG ARG 56 -2.016 1.530 -6.103
125 HG3 ARG 56 2HG ARG 56 -2.029 -0.098 -6.800
126 HD2 ARG 56 3HD ARG 56 -2.055 2.499 -8.356
127 HD3 ARG 56 2HD ARG 56 -0.666 1.425 -8.137
128 HE ARG 56 HE ARG 56 -2.869 1.059 -9.950
129 HH11 ARG 56 1HH1 ARG 56 -0.308 -0.510 -8.189
130 HH12 ARG 56 2HH1 ARG 56 -0.223 -1.866 -9.263
131 HH21 ARG 56 1HH2 ARG 56 -2.766 -0.722 -11.373
132 HH22 ARG 56 2HH2 ARG 56 -1.620 -1.985 -11.075
133 H LYS 57 HN LYS 57 -6.724 1.203 -5.349
134 HA LYS 57 HA LYS 57 -8.268 2.357 -7.541
135 HB2 LYS 57 3HB LYS 57 -9.937 0.823 -7.067
136 HB3 LYS 57 2HB LYS 57 -8.474 -0.072 -6.622
137 HG2 LYS 57 3HG LYS 57 -9.043 1.097 -4.256
138 HG3 LYS 57 2HG LYS 57 -10.671 0.920 -4.935
139 HD2 LYS 57 3HD LYS 57 -8.641 -1.310 -4.684
140 HD3 LYS 57 2HD LYS 57 -9.996 -1.028 -3.579
141 HE2 LYS 57 3HE LYS 57 -10.197 -1.666 -6.533
142 HE3 LYS 57 2HE LYS 57 -10.556 -2.761 -5.190
143 HZ1 LYS 57 3HZ LYS 57 -12.632 -1.998 -5.702
144 HZ2 LYS 57 1HZ LYS 57 -12.095 -0.463 -6.166
145 HZ3 LYS 57 2HZ LYS 57 -12.196 -0.864 -4.526
146 H LEU 58 HN LEU 58 -7.583 2.877 -4.211
147 HA LEU 58 HA LEU 58 -9.900 4.222 -3.392
148 HB2 LEU 58 3HB LEU 58 -7.071 4.095 -2.508
149 HB3 LEU 58 2HB LEU 58 -8.026 5.478 -1.946
150 HG LEU 58 HG LEU 58 -7.966 3.624 -0.323
151 HD11 LEU 58 1HD1 LEU 58 -10.763 3.849 -1.370
152 HD12 LEU 58 2HD1 LEU 58 -9.934 5.242 -0.675
153 HD13 LEU 58 3HD1 LEU 58 -10.198 3.798 0.301
154 HD21 LEU 58 3HD2 LEU 58 -9.355 2.123 -2.535
155 HD22 LEU 58 1HD2 LEU 58 -9.337 1.602 -0.850
156 HD23 LEU 58 2HD2 LEU 58 -7.826 1.718 -1.752
157 H GLY 59 HN GLY 59 -7.426 5.145 -5.573
158 HA2 GLY 59 2HA GLY 59 -7.999 7.027 -7.046
159 HA3 GLY 59 3HA GLY 59 -8.511 7.893 -5.606
160 H TYR 60 HN TYR 60 -5.646 5.957 -5.476
161 HA TYR 60 HA TYR 60 -4.054 8.417 -5.270
162 HB2 TYR 60 3HB TYR 60 -3.718 5.642 -4.149
163 HB3 TYR 60 2HB TYR 60 -2.358 6.765 -4.224
164 HD1 TYR 60 1HD TYR 60 -2.759 9.129 -3.173
165 HD2 TYR 60 2HD TYR 60 -5.081 5.683 -2.257
166 HE1 TYR 60 1HE TYR 60 -3.466 10.173 -1.061
167 HE2 TYR 60 2HE TYR 60 -5.795 6.718 -0.143
168 HH TYR 60 HH TYR 60 -4.298 9.403 1.185
169 H SER 61 HN SER 61 -1.574 7.732 -5.757
170 HA SER 61 HA SER 61 -1.618 6.822 -8.552
171 HB2 SER 61 1HB SER 61 -0.459 9.087 -7.312
172 HB3 SER 61 2HB SER 61 0.881 8.033 -7.796
173 HG SER 61 HG SER 61 -0.169 7.946 -9.904
174 H SER 62 HN SER 62 -0.390 5.146 -9.233
175 HA SER 62 HA SER 62 0.394 3.147 -7.488
176 HB2 SER 62 1HB SER 62 1.573 2.132 -9.387
177 HB3 SER 62 2HB SER 62 0.005 2.782 -9.893
178 HG SER 62 HG SER 62 1.301 3.607 -11.390
179 H SER 63 HN SER 63 2.350 5.708 -8.955
180 HA SER 63 HA SER 63 4.846 4.851 -7.990
181 HB2 SER 63 1HB SER 63 4.811 6.472 -9.746
182 HB3 SER 63 2HB SER 63 3.821 7.581 -8.780
183 HG SER 63 HG SER 63 5.859 8.341 -8.572
184 H GLU 64 HN GLU 64 2.218 6.517 -6.466
185 HA GLU 64 HA GLU 64 3.771 7.504 -4.252
186 HB2 GLU 64 3HB GLU 64 0.778 7.264 -4.641
187 HB3 GLU 64 2HB GLU 64 1.562 8.088 -3.285
188 HG2 GLU 64 3HG GLU 64 2.581 9.068 -5.800
189 HG3 GLU 64 2HG GLU 64 0.816 9.187 -5.732
190 HE2 GLU 64 HE GLU 64 1.232 11.230 -2.745
191 H ILE 65 HN ILE 65 1.250 5.007 -4.602
192 HA ILE 65 HA ILE 65 1.515 3.978 -1.994
193 HB ILE 65 HB ILE 65 0.509 2.589 -4.480
194 HG12 ILE 65 1HG1 ILE 65 -1.208 3.715 -2.292
195 HG13 ILE 65 2HG1 ILE 65 -0.588 4.785 -3.560
196 HG21 ILE 65 1HG2 ILE 65 0.831 0.828 -3.043
197 HG22 ILE 65 2HG2 ILE 65 0.572 1.813 -1.605
198 HG23 ILE 65 3HG2 ILE 65 -0.802 1.322 -2.595
199 HD11 ILE 65 3HD1 ILE 65 -2.118 2.281 -4.184
200 HD12 ILE 65 1HD1 ILE 65 -2.897 3.842 -3.928
201 HD13 ILE 65 2HD1 ILE 65 -1.749 3.636 -5.252
202 H HIS 66 HN HIS 66 2.778 2.760 -5.096
203 HA HIS 66 HA HIS 66 4.178 0.571 -4.099
204 HB2 HIS 66 3HB HIS 66 3.711 1.413 -6.558
205 HB3 HIS 66 2HB HIS 66 5.308 2.143 -6.380
206 HD1 HIS 66 1HD HIS 66 7.273 0.380 -5.673
207 HD2 HIS 66 2HD HIS 66 3.802 -1.206 -7.315
208 HE1 HIS 66 1HE HIS 66 7.889 -1.936 -6.435
209 HE2 HIS 66 2HE HIS 66 5.768 -2.906 -7.439
210 H SER 67 HN SER 67 4.925 3.950 -3.991
211 HA SER 67 HA SER 67 7.723 3.651 -3.472
212 HB2 SER 67 1HB SER 67 7.335 5.767 -4.274
213 HB3 SER 67 2HB SER 67 5.766 5.895 -3.462
214 HG SER 67 HG SER 67 7.048 7.210 -2.302
215 H VAL 68 HN VAL 68 5.088 4.823 -1.369
216 HA VAL 68 HA VAL 68 6.457 4.748 1.031
217 HB VAL 68 HB VAL 68 4.230 4.501 2.127
218 HG11 VAL 68 1HG1 VAL 68 4.437 6.510 -0.112
219 HG12 VAL 68 2HG1 VAL 68 3.296 6.610 1.231
220 HG13 VAL 68 3HG1 VAL 68 5.032 6.698 1.538
221 HG21 VAL 68 3HG2 VAL 68 2.232 4.549 0.635
222 HG22 VAL 68 1HG2 VAL 68 3.299 4.189 -0.722
223 HG23 VAL 68 2HG2 VAL 68 3.122 3.027 0.593
224 H LEU 69 HN LEU 69 4.757 2.151 -0.641
225 HA LEU 69 HA LEU 69 4.927 0.250 1.453
226 HB2 LEU 69 3HB LEU 69 4.167 0.286 -1.385
227 HB3 LEU 69 2HB LEU 69 4.853 -1.251 -0.828
228 HG LEU 69 HG LEU 69 2.397 -1.222 -0.736
229 HD11 LEU 69 1HD1 LEU 69 4.137 -1.679 1.590
230 HD12 LEU 69 2HD1 LEU 69 3.007 -2.765 0.782
231 HD13 LEU 69 3HD1 LEU 69 2.412 -1.574 1.939
232 HD21 LEU 69 3HD2 LEU 69 2.209 1.219 -0.240
233 HD22 LEU 69 1HD2 LEU 69 2.707 0.866 1.415
234 HD23 LEU 69 2HD2 LEU 69 1.206 0.188 0.783
235 H GLN 70 HN GLN 70 7.125 1.270 -1.050
236 HA GLN 70 HA GLN 70 8.884 -0.976 -0.832
237 HB2 GLN 70 3HB GLN 70 8.875 0.229 -2.895
238 HB3 GLN 70 2HB GLN 70 9.202 1.759 -2.065
239 HG2 GLN 70 3HG GLN 70 11.201 0.995 -3.172
240 HG3 GLN 70 2HG GLN 70 11.417 0.925 -1.417
241 HE21 GLN 70 1HE2 GLN 70 12.255 -0.864 -0.632
242 HE22 GLN 70 2HE2 GLN 70 12.263 -2.411 -1.403
243 H LYS 71 HN LYS 71 8.544 2.086 0.780
244 HA LYS 71 HA LYS 71 11.145 1.862 2.068
245 HB2 LYS 71 3HB LYS 71 9.997 4.045 1.247
246 HB3 LYS 71 2HB LYS 71 9.068 3.921 2.750
247 HG2 LYS 71 3HG LYS 71 10.787 5.276 3.424
248 HG3 LYS 71 2HG LYS 71 11.427 3.679 3.848
249 HD2 LYS 71 3HD LYS 71 12.518 3.674 1.533
250 HD3 LYS 71 2HD LYS 71 12.130 5.402 1.486
251 HE2 LYS 71 3HE LYS 71 13.296 5.409 3.854
252 HE3 LYS 71 2HE LYS 71 14.053 3.935 3.230
253 HZ1 LYS 71 3HZ LYS 71 14.209 6.666 2.092
254 HZ2 LYS 71 1HZ LYS 71 14.701 5.290 1.238
255 HZ3 LYS 71 2HZ LYS 71 15.476 5.712 2.681
256 H LEU 72 HN LEU 72 7.773 1.316 2.746
257 HA LEU 72 HA LEU 72 8.231 0.979 5.593
258 HB2 LEU 72 3HB LEU 72 5.872 1.058 3.787
259 HB3 LEU 72 2HB LEU 72 5.726 0.109 5.277
260 HG LEU 72 HG LEU 72 6.131 2.056 6.628
261 HD11 LEU 72 1HD1 LEU 72 6.134 4.280 5.119
262 HD12 LEU 72 2HD1 LEU 72 7.032 3.193 4.062
263 HD13 LEU 72 3HD1 LEU 72 7.600 3.494 5.704
264 HD21 LEU 72 3HD2 LEU 72 3.911 2.208 6.378
265 HD22 LEU 72 1HD2 LEU 72 3.995 1.978 4.631
266 HD23 LEU 72 2HD2 LEU 72 4.274 3.576 5.324
267 H GLY 73 HN GLY 73 6.936 -1.072 2.969
268 HA2 GLY 73 2HA GLY 73 7.729 -3.283 2.544
269 HA3 GLY 73 3HA GLY 73 8.295 -3.365 4.207
270 H VAL 74 HN VAL 74 7.256 -5.163 4.901
271 HA VAL 74 HA VAL 74 4.365 -5.371 4.485
272 HB VAL 74 HB VAL 74 6.267 -7.398 5.669
273 HG11 VAL 74 1HG1 VAL 74 3.347 -7.467 4.986
274 HG12 VAL 74 2HG1 VAL 74 4.314 -8.942 5.066
275 HG13 VAL 74 3HG1 VAL 74 4.142 -7.920 6.493
276 HG21 VAL 74 3HG2 VAL 74 6.956 -7.467 3.507
277 HG22 VAL 74 1HG2 VAL 74 5.528 -8.489 3.345
278 HG23 VAL 74 2HG2 VAL 74 5.450 -6.787 2.891
279 H GLN 75 HN GLN 75 6.702 -4.641 6.907
280 HA GLN 75 HA GLN 75 5.187 -5.279 9.207
281 HB2 GLN 75 3HB GLN 75 7.432 -3.306 8.751
282 HB3 GLN 75 2HB GLN 75 6.736 -3.643 10.345
283 HG2 GLN 75 3HG GLN 75 7.282 -6.139 9.690
284 HG3 GLN 75 2HG GLN 75 8.459 -5.349 8.633
285 HE21 GLN 75 1HE2 GLN 75 10.153 -6.266 9.837
286 HE22 GLN 75 2HE2 GLN 75 10.609 -5.631 11.377
287 H ALA 76 HN ALA 76 4.944 -2.756 6.914
288 HA ALA 76 HA ALA 76 3.960 -0.616 8.348
289 HB1 ALA 76 1HB ALA 76 2.502 -1.139 5.860
290 HB2 ALA 76 2HB ALA 76 3.462 0.260 6.343
291 HB3 ALA 76 3HB ALA 76 4.258 -1.178 5.706
292 H ASP 77 HN ASP 77 1.617 0.151 8.296
293 HA ASP 77 HA ASP 77 -0.249 -2.053 8.840
294 HB2 ASP 77 3HB ASP 77 -0.318 0.394 10.572
295 HB3 ASP 77 2HB ASP 77 -0.894 -1.242 10.917
296 HD2 ASP 77 HD ASP 77 2.332 -2.299 11.834
297 H THR 78 HN THR 78 -2.525 -1.367 8.829
298 HA THR 78 HA THR 78 -3.243 -0.021 6.532
299 HB THR 78 HB THR 78 -4.969 -0.176 9.006
300 HG1 THR 78 1HG THR 78 -4.463 -2.261 8.680
301 HG21 THR 78 3HG2 THR 78 -6.711 -0.510 7.098
302 HG22 THR 78 1HG2 THR 78 -5.483 0.254 6.089
303 HG23 THR 78 2HG2 THR 78 -6.142 1.116 7.480
304 H ASN 79 HN ASN 79 -2.606 1.257 9.720
305 HA ASN 79 HA ASN 79 -3.686 3.864 9.134
306 HB2 ASN 79 3HB ASN 79 -1.793 3.293 11.400
307 HB3 ASN 79 2HB ASN 79 -3.138 4.438 11.335
308 HD21 ASN 79 1HD2 ASN 79 -2.153 1.470 12.446
309 HD22 ASN 79 2HD2 ASN 79 -3.698 0.793 12.819
310 H THR 80 HN THR 80 -0.448 2.455 9.497
311 HA THR 80 HA THR 80 1.103 4.712 9.167
312 HB THR 80 HB THR 80 1.868 2.119 7.850
313 HG1 THR 80 1HG THR 80 2.661 1.636 10.093
314 HG21 THR 80 3HG2 THR 80 4.062 2.750 8.298
315 HG22 THR 80 1HG2 THR 80 3.585 3.868 9.575
316 HG23 THR 80 2HG2 THR 80 3.295 4.284 7.886
317 H VAL 81 HN VAL 81 -0.095 2.538 6.610
318 HA VAL 81 HA VAL 81 0.985 3.794 4.404
319 HB VAL 81 HB VAL 81 -1.777 2.577 4.515
320 HG11 VAL 81 1HG1 VAL 81 0.137 3.206 2.295
321 HG12 VAL 81 2HG1 VAL 81 -1.090 1.950 2.119
322 HG13 VAL 81 3HG1 VAL 81 -1.571 3.617 2.438
323 HG21 VAL 81 3HG2 VAL 81 -0.005 0.700 3.490
324 HG22 VAL 81 1HG2 VAL 81 0.836 1.389 4.878
325 HG23 VAL 81 2HG2 VAL 81 -0.764 0.675 5.083
326 H LEU 82 HN LEU 82 -2.289 4.349 5.714
327 HA LEU 82 HA LEU 82 -3.038 6.434 4.071
328 HB2 LEU 82 3HB LEU 82 -3.699 6.082 7.000
329 HB3 LEU 82 2HB LEU 82 -4.579 7.106 5.853
330 HG LEU 82 HG LEU 82 -4.340 4.193 5.270
331 HD11 LEU 82 1HD1 LEU 82 -6.556 5.194 7.008
332 HD12 LEU 82 2HD1 LEU 82 -5.045 4.632 7.723
333 HD13 LEU 82 3HD1 LEU 82 -6.009 3.540 6.730
334 HD21 LEU 82 3HD2 LEU 82 -5.467 6.191 3.912
335 HD22 LEU 82 1HD2 LEU 82 -6.825 5.770 4.956
336 HD23 LEU 82 2HD2 LEU 82 -6.113 4.549 3.901
337 H GLY 83 HN GLY 83 -1.374 6.639 7.212
338 HA2 GLY 83 2HA GLY 83 -1.192 9.392 7.440
339 HA3 GLY 83 3HA GLY 83 -0.006 8.265 8.082
340 H GLU 84 HN GLU 84 1.112 7.200 5.840
341 HA GLU 84 HA GLU 84 3.033 9.043 5.112
342 HB2 GLU 84 3HB GLU 84 2.058 6.626 3.571
343 HB3 GLU 84 2HB GLU 84 3.556 7.504 3.224
344 HG2 GLU 84 3HG GLU 84 3.057 6.368 5.951
345 HG3 GLU 84 2HG GLU 84 3.657 5.348 4.635
346 HE2 GLU 84 HE GLU 84 6.726 7.096 4.574
347 H LEU 85 HN LEU 85 0.006 8.243 3.473
348 HA LEU 85 HA LEU 85 0.502 9.982 1.250
349 HB2 LEU 85 3HB LEU 85 -2.157 8.885 2.165
350 HB3 LEU 85 2HB LEU 85 -1.716 9.450 0.545
351 HG LEU 85 HG LEU 85 -0.416 7.051 1.810
352 HD11 LEU 85 1HD1 LEU 85 -2.179 5.762 1.411
353 HD12 LEU 85 2HD1 LEU 85 -2.380 6.430 -0.209
354 HD13 LEU 85 3HD1 LEU 85 -3.117 7.237 1.175
355 HD21 LEU 85 3HD2 LEU 85 -0.816 7.563 -1.108
356 HD22 LEU 85 1HD2 LEU 85 0.411 6.589 -0.298
357 HD23 LEU 85 2HD2 LEU 85 0.504 8.350 -0.242
358 H VAL 86 HN VAL 86 -1.018 10.278 4.372
359 HA VAL 86 HA VAL 86 -2.475 12.657 3.874
360 HB VAL 86 HB VAL 86 -1.383 11.603 6.489
361 HG11 VAL 86 1HG1 VAL 86 -3.255 13.843 5.820
362 HG12 VAL 86 2HG1 VAL 86 -3.384 12.989 7.358
363 HG13 VAL 86 3HG1 VAL 86 -1.890 13.825 6.936
364 HG21 VAL 86 3HG2 VAL 86 -3.439 10.630 4.794
365 HG22 VAL 86 1HG2 VAL 86 -2.978 10.061 6.399
366 HG23 VAL 86 2HG2 VAL 86 -4.201 11.319 6.227
367 H LYS 87 HN LYS 87 0.814 12.015 4.952
368 HA LYS 87 HA LYS 87 1.359 14.838 5.357
369 HB2 LYS 87 3HB LYS 87 2.839 12.282 5.814
370 HB3 LYS 87 2HB LYS 87 3.770 13.781 5.653
371 HG2 LYS 87 3HG LYS 87 2.004 14.649 7.433
372 HG3 LYS 87 2HG LYS 87 1.922 12.917 7.806
373 HD2 LYS 87 3HD LYS 87 4.360 12.858 8.113
374 HD3 LYS 87 2HD LYS 87 4.433 14.592 7.756
375 HE2 LYS 87 3HE LYS 87 3.012 15.066 9.703
376 HE3 LYS 87 2HE LYS 87 2.936 13.333 10.053
377 HZ1 LYS 87 3HZ LYS 87 5.611 14.413 9.800
378 HZ2 LYS 87 1HZ LYS 87 4.982 13.331 10.938
379 HZ3 LYS 87 2HZ LYS 87 4.731 14.994 11.123
380 H HIS 88 HN HIS 88 2.366 12.239 3.162
381 HA HIS 88 HA HIS 88 4.134 13.790 1.610
382 HB2 HIS 88 3HB HIS 88 3.932 11.254 1.681
383 HB3 HIS 88 2HB HIS 88 2.546 11.430 0.601
384 HD1 HIS 88 1HD HIS 88 3.032 11.509 -1.835
385 HD2 HIS 88 2HD HIS 88 6.396 12.333 0.459
386 HE1 HIS 88 1HE HIS 88 4.937 11.665 -3.469
387 HE2 HIS 88 2HE HIS 88 6.994 12.171 -2.069
388 H GLY 89 HN GLY 89 0.678 13.097 1.286
389 HA2 GLY 89 2HA GLY 89 0.430 14.535 -1.192
390 HA3 GLY 89 3HA GLY 89 -0.887 13.904 -0.215
Start of MODEL 7
1 H1 GLY 41 HN GLY 41 -6.607 -16.783 3.381
2 HA2 GLY 41 2HA GLY 41 -4.604 -15.792 1.646
3 HA3 GLY 41 3HA GLY 41 -4.606 -17.370 2.420
4 HA PRO 42 HA PRO 42 -6.956 -17.853 -1.796
5 HB2 PRO 42 3HB PRO 42 -6.708 -15.768 -3.556
6 HB3 PRO 42 2HB PRO 42 -8.010 -15.895 -2.375
7 HG2 PRO 42 3HG PRO 42 -5.441 -14.355 -2.213
8 HG3 PRO 42 2HG PRO 42 -7.114 -13.831 -1.790
9 HD2 PRO 42 3HD PRO 42 -5.298 -14.585 0.080
10 HD3 PRO 42 2HD PRO 42 -7.034 -14.893 0.254
11 H HIS 43 HN HIS 43 -6.161 -18.093 -4.127
12 HA HIS 43 HA HIS 43 -3.355 -18.793 -4.027
13 HB2 HIS 43 3HB HIS 43 -5.636 -19.344 -5.884
14 HB3 HIS 43 2HB HIS 43 -3.988 -19.530 -6.489
15 HD1 HIS 43 1HD HIS 43 -5.059 -20.480 -2.996
16 HD2 HIS 43 2HD HIS 43 -3.911 -22.276 -6.562
17 HE1 HIS 43 1HE HIS 43 -4.773 -22.919 -2.459
18 HE2 HIS 43 2HE HIS 43 -4.074 -24.018 -4.638
19 H MET 44 HN MET 44 -5.386 -16.370 -5.490
20 HA MET 44 HA MET 44 -3.048 -15.283 -6.912
21 HB2 MET 44 3HB MET 44 -4.551 -14.185 -8.428
22 HB3 MET 44 2HB MET 44 -5.025 -15.887 -8.315
23 HG2 MET 44 3HG MET 44 -6.737 -15.144 -6.577
24 HG3 MET 44 2HG MET 44 -6.384 -13.501 -7.114
25 HE1 MET 44 3HE MET 44 -7.155 -13.385 -10.707
26 HE2 MET 44 1HE MET 44 -8.177 -12.562 -9.528
27 HE3 MET 44 2HE MET 44 -6.439 -12.681 -9.256
28 H THR 45 HN THR 45 -2.906 -12.910 -7.006
29 HA THR 45 HA THR 45 -2.751 -10.868 -6.012
30 HB THR 45 HB THR 45 -5.316 -11.602 -4.590
31 HG1 THR 45 1HG THR 45 -4.868 -10.413 -7.142
32 HG21 THR 45 3HG2 THR 45 -3.734 -9.470 -4.104
33 HG22 THR 45 1HG2 THR 45 -5.489 -9.439 -3.941
34 HG23 THR 45 2HG2 THR 45 -4.729 -8.828 -5.410
35 H SER 46 HN SER 46 -0.898 -11.956 -4.907
36 HA SER 46 HA SER 46 -0.958 -13.068 -2.383
37 HB2 SER 46 1HB SER 46 1.119 -11.372 -3.774
38 HB3 SER 46 2HB SER 46 1.394 -12.049 -2.159
39 HG SER 46 HG SER 46 0.956 -14.134 -3.085
40 H GLU 47 HN GLU 47 -0.409 -12.174 -0.291
41 HA GLU 47 HA GLU 47 -2.049 -10.045 0.469
42 HB2 GLU 47 3HB GLU 47 0.291 -11.370 1.837
43 HB3 GLU 47 2HB GLU 47 -0.670 -10.101 2.610
44 HG2 GLU 47 3HG GLU 47 -1.899 -12.622 1.518
45 HG3 GLU 47 2HG GLU 47 -1.282 -12.488 3.172
46 HE2 GLU 47 HE GLU 47 -4.193 -11.024 4.191
47 H LEU 48 HN LEU 48 1.128 -10.061 -0.839
48 HA LEU 48 HA LEU 48 1.825 -7.427 0.123
49 HB2 LEU 48 3HB LEU 48 3.811 -7.681 -1.327
50 HB3 LEU 48 2HB LEU 48 3.596 -9.015 -0.178
51 HG LEU 48 HG LEU 48 2.376 -10.068 -2.336
52 HD11 LEU 48 1HD1 LEU 48 3.195 -9.385 -4.343
53 HD12 LEU 48 2HD1 LEU 48 4.710 -8.799 -3.655
54 HD13 LEU 48 3HD1 LEU 48 3.239 -7.842 -3.491
55 HD21 LEU 48 3HD2 LEU 48 3.980 -11.332 -1.220
56 HD22 LEU 48 1HD2 LEU 48 5.237 -10.116 -1.447
57 HD23 LEU 48 2HD2 LEU 48 4.691 -11.086 -2.816
58 H GLN 49 HN GLN 49 0.544 -8.882 -2.799
59 HA GLN 49 HA GLN 49 0.778 -6.489 -4.371
60 HB2 GLN 49 3HB GLN 49 -0.330 -9.223 -4.751
61 HB3 GLN 49 2HB GLN 49 -0.987 -7.936 -5.773
62 HG2 GLN 49 3HG GLN 49 1.973 -8.224 -5.536
63 HG3 GLN 49 2HG GLN 49 1.066 -9.354 -6.552
64 HE21 GLN 49 1HE2 GLN 49 2.468 -6.292 -6.343
65 HE22 GLN 49 2HE2 GLN 49 1.886 -5.651 -7.839
66 H MET 50 HN MET 50 -1.633 -7.939 -2.313
67 HA MET 50 HA MET 50 -3.839 -6.391 -3.217
68 HB2 MET 50 3HB MET 50 -3.843 -8.577 -1.847
69 HB3 MET 50 2HB MET 50 -3.589 -7.529 -0.444
70 HG2 MET 50 3HG MET 50 -5.657 -6.289 -1.036
71 HG3 MET 50 2HG MET 50 -5.923 -7.448 -2.339
72 HE1 MET 50 3HE MET 50 -6.278 -10.021 -1.975
73 HE2 MET 50 1HE MET 50 -4.892 -10.197 -0.901
74 HE3 MET 50 2HE MET 50 -6.474 -10.796 -0.403
75 H LYS 51 HN LYS 51 -1.350 -5.929 -0.789
76 HA LYS 51 HA LYS 51 -2.450 -3.828 0.662
77 HB2 LYS 51 3HB LYS 51 0.301 -4.796 0.086
78 HB3 LYS 51 2HB LYS 51 0.146 -3.155 0.733
79 HG2 LYS 51 3HG LYS 51 -1.201 -4.092 2.617
80 HG3 LYS 51 2HG LYS 51 -0.808 -5.709 2.007
81 HD2 LYS 51 3HD LYS 51 1.531 -5.380 2.376
82 HD3 LYS 51 2HD LYS 51 1.284 -3.661 2.727
83 HE2 LYS 51 3HE LYS 51 0.248 -5.975 4.384
84 HE3 LYS 51 2HE LYS 51 1.635 -4.947 4.776
85 HZ1 LYS 51 3HZ LYS 51 -1.169 -4.437 5.126
86 HZ2 LYS 51 1HZ LYS 51 -0.358 -3.157 4.371
87 HZ3 LYS 51 2HZ LYS 51 0.163 -3.715 5.880
88 H VAL 52 HN VAL 52 -0.635 -3.780 -2.373
89 HA VAL 52 HA VAL 52 -0.798 -0.891 -2.556
90 HB VAL 52 HB VAL 52 0.189 -2.855 -4.627
91 HG11 VAL 52 1HG1 VAL 52 1.352 -0.196 -4.601
92 HG12 VAL 52 2HG1 VAL 52 0.651 -1.110 -5.938
93 HG13 VAL 52 3HG1 VAL 52 -0.390 -0.163 -4.873
94 HG21 VAL 52 3HG2 VAL 52 1.353 -2.000 -2.128
95 HG22 VAL 52 1HG2 VAL 52 1.918 -3.215 -3.274
96 HG23 VAL 52 2HG2 VAL 52 2.360 -1.523 -3.494
97 H ASP 53 HN ASP 53 -2.059 -3.687 -4.359
98 HA ASP 53 HA ASP 53 -3.514 -2.366 -6.297
99 HB2 ASP 53 3HB ASP 53 -3.158 -4.845 -6.127
100 HB3 ASP 53 2HB ASP 53 -4.409 -4.881 -4.876
101 HD2 ASP 53 HD ASP 53 -5.514 -4.590 -8.641
102 H PHE 54 HN PHE 54 -4.237 -2.795 -2.914
103 HA PHE 54 HA PHE 54 -6.982 -2.196 -2.967
104 HB2 PHE 54 3HB PHE 54 -5.883 -3.180 -1.012
105 HB3 PHE 54 2HB PHE 54 -4.952 -1.699 -0.779
106 HD1 PHE 54 2HD PHE 54 -8.262 -3.226 -0.472
107 HD2 PHE 54 1HD PHE 54 -5.945 0.290 0.145
108 HE1 PHE 54 2HE PHE 54 -10.048 -2.302 0.947
109 HE2 PHE 54 1HE PHE 54 -7.726 1.219 1.566
110 HZ PHE 54 HZ PHE 54 -9.781 -0.077 1.967
111 H PHE 55 HN PHE 55 -4.481 -0.016 -1.680
112 HA PHE 55 HA PHE 55 -5.997 2.306 -1.837
113 HB2 PHE 55 3HB PHE 55 -3.038 1.779 -1.766
114 HB3 PHE 55 2HB PHE 55 -3.642 3.427 -1.948
115 HD1 PHE 55 2HD PHE 55 -4.873 4.528 -0.163
116 HD2 PHE 55 1HD PHE 55 -3.304 0.602 0.325
117 HE1 PHE 55 2HE PHE 55 -5.184 4.710 2.271
118 HE2 PHE 55 1HE PHE 55 -3.613 0.777 2.760
119 HZ PHE 55 HZ PHE 55 -4.553 2.834 3.736
120 H ARG 56 HN ARG 56 -4.298 0.592 -4.309
121 HA ARG 56 HA ARG 56 -3.898 2.644 -6.175
122 HB2 ARG 56 3HB ARG 56 -4.228 -0.332 -6.370
123 HB3 ARG 56 2HB ARG 56 -4.165 0.646 -7.844
124 HG2 ARG 56 3HG ARG 56 -2.029 1.244 -5.924
125 HG3 ARG 56 2HG ARG 56 -2.002 -0.404 -6.574
126 HD2 ARG 56 3HD ARG 56 -2.068 2.151 -8.198
127 HD3 ARG 56 2HD ARG 56 -0.665 1.101 -7.951
128 HE ARG 56 HE ARG 56 -2.863 0.661 -9.756
129 HH11 ARG 56 1HH1 ARG 56 -0.272 -0.821 -7.964
130 HH12 ARG 56 2HH1 ARG 56 -0.164 -2.199 -9.008
131 HH21 ARG 56 1HH2 ARG 56 -2.730 -1.149 -11.139
132 HH22 ARG 56 2HH2 ARG 56 -1.560 -2.384 -10.815
133 H LYS 57 HN LYS 57 -6.755 0.934 -5.220
134 HA LYS 57 HA LYS 57 -8.269 1.926 -7.512
135 HB2 LYS 57 3HB LYS 57 -9.930 0.407 -6.974
136 HB3 LYS 57 2HB LYS 57 -8.469 -0.444 -6.447
137 HG2 LYS 57 3HG LYS 57 -9.095 0.862 -4.170
138 HG3 LYS 57 2HG LYS 57 -10.707 0.629 -4.866
139 HD2 LYS 57 3HD LYS 57 -8.658 -1.550 -4.405
140 HD3 LYS 57 2HD LYS 57 -10.078 -1.230 -3.394
141 HE2 LYS 57 3HE LYS 57 -10.076 -2.087 -6.298
142 HE3 LYS 57 2HE LYS 57 -10.552 -3.059 -4.898
143 HZ1 LYS 57 3HZ LYS 57 -12.023 -0.981 -6.289
144 HZ2 LYS 57 1HZ LYS 57 -12.162 -0.964 -4.603
145 HZ3 LYS 57 2HZ LYS 57 -12.590 -2.349 -5.474
146 H LEU 58 HN LEU 58 -7.652 2.655 -4.207
147 HA LEU 58 HA LEU 58 -9.997 4.025 -3.516
148 HB2 LEU 58 3HB LEU 58 -7.187 3.977 -2.571
149 HB3 LEU 58 2HB LEU 58 -8.162 5.384 -2.114
150 HG LEU 58 HG LEU 58 -8.131 3.647 -0.373
151 HD11 LEU 58 1HD1 LEU 58 -10.377 3.826 0.178
152 HD12 LEU 58 2HD1 LEU 58 -10.901 3.732 -1.504
153 HD13 LEU 58 3HD1 LEU 58 -10.122 5.195 -0.904
154 HD21 LEU 58 3HD2 LEU 58 -7.912 1.657 -1.679
155 HD22 LEU 58 1HD2 LEU 58 -9.436 1.972 -2.511
156 HD23 LEU 58 2HD2 LEU 58 -9.436 1.562 -0.795
157 H GLY 59 HN GLY 59 -7.458 4.850 -5.675
158 HA2 GLY 59 2HA GLY 59 -8.006 6.627 -7.282
159 HA3 GLY 59 3HA GLY 59 -8.589 7.570 -5.918
160 H TYR 60 HN TYR 60 -5.732 5.740 -5.406
161 HA TYR 60 HA TYR 60 -4.193 8.218 -5.274
162 HB2 TYR 60 3HB TYR 60 -3.818 5.453 -4.146
163 HB3 TYR 60 2HB TYR 60 -2.473 6.593 -4.206
164 HD1 TYR 60 2HD TYR 60 -2.853 8.921 -3.129
165 HD2 TYR 60 1HD TYR 60 -5.277 5.520 -2.316
166 HE1 TYR 60 2HE TYR 60 -3.603 9.964 -1.032
167 HE2 TYR 60 1HE TYR 60 -6.034 6.554 -0.217
168 HH TYR 60 HH TYR 60 -5.819 8.277 1.169
169 H SER 61 HN SER 61 -1.685 7.624 -5.712
170 HA SER 61 HA SER 61 -1.637 6.763 -8.518
171 HB2 SER 61 1HB SER 61 -0.751 9.083 -7.552
172 HB3 SER 61 2HB SER 61 0.704 8.114 -7.254
173 HG SER 61 HG SER 61 1.045 8.715 -9.277
174 H SER 62 HN SER 62 -0.390 5.105 -9.212
175 HA SER 62 HA SER 62 0.356 3.068 -7.481
176 HB2 SER 62 1HB SER 62 1.622 2.127 -9.413
177 HB3 SER 62 2HB SER 62 -0.017 2.644 -9.842
178 HG SER 62 HG SER 62 0.953 3.760 -11.332
179 H SER 63 HN SER 63 2.316 5.653 -8.892
180 HA SER 63 HA SER 63 4.808 4.766 -7.925
181 HB2 SER 63 1HB SER 63 3.760 7.456 -8.803
182 HB3 SER 63 2HB SER 63 5.412 7.265 -8.187
183 HG SER 63 HG SER 63 4.331 6.476 -10.592
184 H GLU 64 HN GLU 64 2.178 6.429 -6.412
185 HA GLU 64 HA GLU 64 3.716 7.413 -4.188
186 HB2 GLU 64 3HB GLU 64 0.733 7.180 -4.641
187 HB3 GLU 64 2HB GLU 64 1.470 7.942 -3.221
188 HG2 GLU 64 3HG GLU 64 2.353 8.922 -5.876
189 HG3 GLU 64 2HG GLU 64 0.703 9.312 -5.372
190 HE2 GLU 64 HE GLU 64 3.711 11.098 -3.551
191 H ILE 65 HN ILE 65 1.201 4.911 -4.550
192 HA ILE 65 HA ILE 65 1.467 3.875 -1.944
193 HB ILE 65 HB ILE 65 0.469 2.482 -4.433
194 HG12 ILE 65 1HG1 ILE 65 -1.212 3.686 -2.246
195 HG13 ILE 65 2HG1 ILE 65 -0.649 4.669 -3.608
196 HG21 ILE 65 1HG2 ILE 65 0.291 1.775 -1.516
197 HG22 ILE 65 2HG2 ILE 65 -0.795 1.100 -2.730
198 HG23 ILE 65 3HG2 ILE 65 0.941 0.807 -2.838
199 HD11 ILE 65 3HD1 ILE 65 -1.872 3.414 -5.169
200 HD12 ILE 65 1HD1 ILE 65 -2.178 2.121 -4.009
201 HD13 ILE 65 2HD1 ILE 65 -2.966 3.687 -3.811
202 H HIS 66 HN HIS 66 2.851 2.822 -5.042
203 HA HIS 66 HA HIS 66 4.220 0.576 -4.061
204 HB2 HIS 66 3HB HIS 66 3.755 1.346 -6.505
205 HB3 HIS 66 2HB HIS 66 5.275 2.229 -6.335
206 HD1 HIS 66 1HD HIS 66 7.461 0.854 -6.178
207 HD2 HIS 66 2HD HIS 66 4.038 -1.443 -6.696
208 HE1 HIS 66 1HE HIS 66 8.279 -1.445 -6.791
209 HE2 HIS 66 2HE HIS 66 6.187 -2.848 -7.108
210 H SER 67 HN SER 67 4.974 3.970 -3.992
211 HA SER 67 HA SER 67 7.756 3.683 -3.429
212 HB2 SER 67 1HB SER 67 7.363 5.801 -4.224
213 HB3 SER 67 2HB SER 67 5.784 5.914 -3.425
214 HG SER 67 HG SER 67 6.765 6.992 -1.926
215 H VAL 68 HN VAL 68 5.072 4.777 -1.344
216 HA VAL 68 HA VAL 68 6.405 4.759 1.070
217 HB VAL 68 HB VAL 68 4.161 4.334 2.123
218 HG11 VAL 68 1HG1 VAL 68 4.332 6.452 -0.017
219 HG12 VAL 68 2HG1 VAL 68 3.169 6.444 1.309
220 HG13 VAL 68 3HG1 VAL 68 4.894 6.588 1.649
221 HG21 VAL 68 3HG2 VAL 68 3.342 4.089 -0.766
222 HG22 VAL 68 1HG2 VAL 68 3.140 2.896 0.518
223 HG23 VAL 68 2HG2 VAL 68 2.209 4.394 0.551
224 H LEU 69 HN LEU 69 4.798 2.074 -0.578
225 HA LEU 69 HA LEU 69 5.141 0.194 1.518
226 HB2 LEU 69 3HB LEU 69 4.273 0.165 -1.299
227 HB3 LEU 69 2HB LEU 69 4.998 -1.344 -0.715
228 HG LEU 69 HG LEU 69 2.520 -1.288 -0.569
229 HD11 LEU 69 1HD1 LEU 69 4.245 -2.454 1.081
230 HD12 LEU 69 2HD1 LEU 69 2.500 -2.556 1.313
231 HD13 LEU 69 3HD1 LEU 69 3.447 -1.395 2.243
232 HD21 LEU 69 3HD2 LEU 69 1.483 0.063 1.194
233 HD22 LEU 69 1HD2 LEU 69 2.228 1.070 -0.048
234 HD23 LEU 69 2HD2 LEU 69 3.035 0.844 1.503
235 H GLN 70 HN GLN 70 7.121 1.201 -1.190
236 HA GLN 70 HA GLN 70 8.961 -0.912 -1.207
237 HB2 GLN 70 3HB GLN 70 8.762 0.825 -2.974
238 HB3 GLN 70 2HB GLN 70 9.500 1.989 -1.860
239 HG2 GLN 70 3HG GLN 70 11.545 0.670 -1.788
240 HG3 GLN 70 2HG GLN 70 10.813 -0.525 -2.869
241 HE21 GLN 70 1HE2 GLN 70 12.572 2.346 -2.662
242 HE22 GLN 70 2HE2 GLN 70 12.578 2.755 -4.341
243 H LYS 71 HN LYS 71 8.656 1.880 0.862
244 HA LYS 71 HA LYS 71 11.227 1.320 2.139
245 HB2 LYS 71 3HB LYS 71 10.618 3.662 1.563
246 HB3 LYS 71 2HB LYS 71 9.259 3.548 2.693
247 HG2 LYS 71 3HG LYS 71 10.771 3.236 4.558
248 HG3 LYS 71 2HG LYS 71 12.156 3.238 3.454
249 HD2 LYS 71 3HD LYS 71 12.114 5.415 4.327
250 HD3 LYS 71 2HD LYS 71 11.353 5.560 2.733
251 HE2 LYS 71 3HE LYS 71 9.119 5.266 3.925
252 HE3 LYS 71 2HE LYS 71 10.020 5.509 5.429
253 HZ1 LYS 71 3HZ LYS 71 9.419 7.425 3.300
254 HZ2 LYS 71 1HZ LYS 71 10.870 7.614 4.149
255 HZ3 LYS 71 2HZ LYS 71 9.397 7.635 4.979
256 H LEU 72 HN LEU 72 7.810 1.738 3.057
257 HA LEU 72 HA LEU 72 8.057 0.992 5.732
258 HB2 LEU 72 3HB LEU 72 5.838 1.070 3.749
259 HB3 LEU 72 2HB LEU 72 5.578 0.166 5.250
260 HG LEU 72 HG LEU 72 5.914 2.148 6.571
261 HD11 LEU 72 1HD1 LEU 72 7.663 3.171 5.185
262 HD12 LEU 72 2HD1 LEU 72 6.381 4.312 5.587
263 HD13 LEU 72 3HD1 LEU 72 6.448 3.592 3.979
264 HD21 LEU 72 3HD2 LEU 72 3.819 2.829 6.235
265 HD22 LEU 72 1HD2 LEU 72 3.788 1.728 4.857
266 HD23 LEU 72 2HD2 LEU 72 4.190 3.429 4.617
267 H GLY 73 HN GLY 73 7.031 -1.027 2.970
268 HA2 GLY 73 2HA GLY 73 7.674 -3.252 2.582
269 HA3 GLY 73 3HA GLY 73 8.324 -3.326 4.213
270 H VAL 74 HN VAL 74 7.325 -5.049 5.078
271 HA VAL 74 HA VAL 74 4.432 -5.341 4.734
272 HB VAL 74 HB VAL 74 6.361 -7.262 6.042
273 HG11 VAL 74 1HG1 VAL 74 4.524 -8.328 6.688
274 HG12 VAL 74 2HG1 VAL 74 3.499 -7.168 5.839
275 HG13 VAL 74 3HG1 VAL 74 4.123 -8.583 4.990
276 HG21 VAL 74 3HG2 VAL 74 5.739 -8.484 3.754
277 HG22 VAL 74 1HG2 VAL 74 5.629 -6.811 3.209
278 HG23 VAL 74 2HG2 VAL 74 7.132 -7.413 3.910
279 H GLN 75 HN GLN 75 6.782 -4.371 7.043
280 HA GLN 75 HA GLN 75 5.357 -4.922 9.421
281 HB2 GLN 75 3HB GLN 75 7.447 -2.813 8.828
282 HB3 GLN 75 2HB GLN 75 6.867 -3.235 10.448
283 HG2 GLN 75 3HG GLN 75 7.845 -5.363 10.383
284 HG3 GLN 75 2HG GLN 75 8.077 -5.288 8.632
285 HE21 GLN 75 1HE2 GLN 75 9.185 -4.038 11.710
286 HE22 GLN 75 2HE2 GLN 75 10.742 -3.532 11.162
287 H ALA 76 HN ALA 76 4.951 -2.560 6.979
288 HA ALA 76 HA ALA 76 3.897 -0.382 8.302
289 HB1 ALA 76 1HB ALA 76 2.386 -1.065 5.904
290 HB2 ALA 76 2HB ALA 76 3.388 0.344 6.251
291 HB3 ALA 76 3HB ALA 76 4.133 -1.148 5.678
292 H ASP 77 HN ASP 77 1.519 0.273 8.254
293 HA ASP 77 HA ASP 77 -0.257 -1.963 8.913
294 HB2 ASP 77 3HB ASP 77 -0.325 0.491 10.637
295 HB3 ASP 77 2HB ASP 77 -0.859 -1.156 11.005
296 HD2 ASP 77 HD ASP 77 2.645 -0.153 12.200
297 H THR 78 HN THR 78 -2.564 -1.014 9.333
298 HA THR 78 HA THR 78 -3.465 0.113 6.941
299 HB THR 78 HB THR 78 -4.949 0.258 9.567
300 HG1 THR 78 1HG THR 78 -4.922 -1.902 7.708
301 HG21 THR 78 3HG2 THR 78 -6.813 -0.305 7.749
302 HG22 THR 78 1HG2 THR 78 -5.664 0.521 6.696
303 HG23 THR 78 2HG2 THR 78 -6.321 1.352 8.107
304 H ASN 79 HN ASN 79 -2.780 1.609 10.073
305 HA ASN 79 HA ASN 79 -3.670 4.209 9.260
306 HB2 ASN 79 3HB ASN 79 -1.793 3.687 11.560
307 HB3 ASN 79 2HB ASN 79 -3.029 4.942 11.403
308 HD21 ASN 79 1HD2 ASN 79 -2.394 2.486 13.227
309 HD22 ASN 79 2HD2 ASN 79 -3.959 1.795 13.469
310 H THR 80 HN THR 80 -0.530 2.614 9.603
311 HA THR 80 HA THR 80 1.172 4.738 9.157
312 HB THR 80 HB THR 80 1.819 2.169 7.793
313 HG1 THR 80 1HG THR 80 1.519 2.479 10.611
314 HG21 THR 80 3HG2 THR 80 3.301 4.314 8.347
315 HG22 THR 80 1HG2 THR 80 3.974 2.684 8.337
316 HG23 THR 80 2HG2 THR 80 3.522 3.442 9.864
317 H VAL 81 HN VAL 81 -0.152 2.539 6.678
318 HA VAL 81 HA VAL 81 0.906 3.736 4.429
319 HB VAL 81 HB VAL 81 -1.867 2.552 4.608
320 HG11 VAL 81 1HG1 VAL 81 -1.308 1.891 2.226
321 HG12 VAL 81 2HG1 VAL 81 -1.614 3.605 2.511
322 HG13 VAL 81 3HG1 VAL 81 0.042 3.021 2.332
323 HG21 VAL 81 3HG2 VAL 81 0.696 1.341 5.043
324 HG22 VAL 81 1HG2 VAL 81 -0.908 0.615 5.126
325 HG23 VAL 81 2HG2 VAL 81 -0.044 0.671 3.589
326 H LEU 82 HN LEU 82 -2.306 4.385 5.845
327 HA LEU 82 HA LEU 82 -3.065 6.439 4.144
328 HB2 LEU 82 3HB LEU 82 -3.701 6.135 7.084
329 HB3 LEU 82 2HB LEU 82 -4.582 7.153 5.933
330 HG LEU 82 HG LEU 82 -4.380 4.231 5.381
331 HD11 LEU 82 1HD1 LEU 82 -5.735 3.553 7.030
332 HD12 LEU 82 2HD1 LEU 82 -6.711 5.020 6.968
333 HD13 LEU 82 3HD1 LEU 82 -5.190 5.010 7.862
334 HD21 LEU 82 3HD2 LEU 82 -5.441 6.052 3.896
335 HD22 LEU 82 1HD2 LEU 82 -6.755 6.032 5.071
336 HD23 LEU 82 2HD2 LEU 82 -6.345 4.565 4.182
337 H GLY 83 HN GLY 83 -1.376 6.671 7.271
338 HA2 GLY 83 2HA GLY 83 -1.159 9.422 7.462
339 HA3 GLY 83 3HA GLY 83 0.025 8.291 8.100
340 H GLU 84 HN GLU 84 1.062 7.186 5.814
341 HA GLU 84 HA GLU 84 2.998 9.016 5.049
342 HB2 GLU 84 3HB GLU 84 2.020 6.607 3.495
343 HB3 GLU 84 2HB GLU 84 3.564 7.439 3.251
344 HG2 GLU 84 3HG GLU 84 2.963 6.417 5.976
345 HG3 GLU 84 2HG GLU 84 3.360 5.244 4.712
346 HE2 GLU 84 HE GLU 84 6.626 6.619 4.412
347 H LEU 85 HN LEU 85 -0.027 8.148 3.430
348 HA LEU 85 HA LEU 85 0.427 9.825 1.165
349 HB2 LEU 85 3HB LEU 85 -2.203 8.757 2.200
350 HB3 LEU 85 2HB LEU 85 -1.850 9.335 0.562
351 HG LEU 85 HG LEU 85 -0.656 6.865 1.821
352 HD11 LEU 85 1HD1 LEU 85 -2.268 5.601 0.861
353 HD12 LEU 85 2HD1 LEU 85 -2.494 6.713 -0.489
354 HD13 LEU 85 3HD1 LEU 85 -3.216 7.073 1.079
355 HD21 LEU 85 3HD2 LEU 85 0.095 6.392 -0.478
356 HD22 LEU 85 1HD2 LEU 85 0.826 7.854 0.186
357 HD23 LEU 85 2HD2 LEU 85 -0.494 7.979 -0.977
358 H VAL 86 HN VAL 86 -1.050 10.245 4.300
359 HA VAL 86 HA VAL 86 -2.490 12.610 3.774
360 HB VAL 86 HB VAL 86 -1.267 11.682 6.376
361 HG11 VAL 86 1HG1 VAL 86 -3.141 13.906 5.685
362 HG12 VAL 86 2HG1 VAL 86 -3.255 13.108 7.255
363 HG13 VAL 86 3HG1 VAL 86 -1.756 13.906 6.778
364 HG21 VAL 86 3HG2 VAL 86 -3.371 10.599 4.842
365 HG22 VAL 86 1HG2 VAL 86 -2.879 10.158 6.477
366 HG23 VAL 86 2HG2 VAL 86 -4.107 11.399 6.230
367 H LYS 87 HN LYS 87 0.873 11.993 4.360
368 HA LYS 87 HA LYS 87 1.416 14.864 4.640
369 HB2 LYS 87 3HB LYS 87 2.814 12.378 5.459
370 HB3 LYS 87 2HB LYS 87 3.839 13.736 4.967
371 HG2 LYS 87 3HG LYS 87 2.126 15.007 6.628
372 HG3 LYS 87 2HG LYS 87 2.177 13.397 7.367
373 HD2 LYS 87 3HD LYS 87 4.606 15.068 6.679
374 HD3 LYS 87 2HD LYS 87 3.885 14.924 8.292
375 HE2 LYS 87 3HE LYS 87 5.096 13.096 8.671
376 HE3 LYS 87 2HE LYS 87 4.278 12.298 7.320
377 HZ1 LYS 87 3HZ LYS 87 6.058 12.519 6.016
378 HZ2 LYS 87 1HZ LYS 87 6.921 12.831 7.438
379 HZ3 LYS 87 2HZ LYS 87 6.351 14.114 6.495
380 H HIS 88 HN HIS 88 2.922 12.078 2.991
381 HA HIS 88 HA HIS 88 4.029 13.830 0.969
382 HB2 HIS 88 3HB HIS 88 5.307 11.904 1.897
383 HB3 HIS 88 2HB HIS 88 4.136 10.812 1.151
384 HD1 HIS 88 1HD HIS 88 5.430 13.842 -0.652
385 HD2 HIS 88 2HD HIS 88 5.925 9.718 -0.663
386 HE1 HIS 88 1HE HIS 88 6.765 13.331 -2.721
387 HE2 HIS 88 2HE HIS 88 7.069 10.811 -2.729
388 H GLY 89 HN GLY 89 1.796 14.506 0.313
389 HA2 GLY 89 2HA GLY 89 0.524 12.532 -1.466
390 HA3 GLY 89 3HA GLY 89 -0.271 13.947 -0.795
Start of MODEL 8
1 H1 GLY 41 HN GLY 41 -11.288 -23.528 -7.909
2 HA2 GLY 41 2HA GLY 41 -10.847 -21.202 -8.704
3 HA3 GLY 41 3HA GLY 41 -11.385 -20.683 -7.114
4 HA PRO 42 HA PRO 42 -6.704 -21.457 -7.306
5 HB2 PRO 42 3HB PRO 42 -5.882 -18.845 -7.225
6 HB3 PRO 42 2HB PRO 42 -6.186 -19.725 -8.723
7 HG2 PRO 42 3HG PRO 42 -7.977 -17.841 -7.225
8 HG3 PRO 42 2HG PRO 42 -7.631 -17.923 -8.993
9 HD2 PRO 42 3HD PRO 42 -9.899 -18.930 -7.896
10 HD3 PRO 42 2HD PRO 42 -9.108 -19.665 -9.301
11 H HIS 43 HN HIS 43 -5.741 -21.800 -5.400
12 HA HIS 43 HA HIS 43 -6.831 -20.461 -3.031
13 HB2 HIS 43 3HB HIS 43 -5.171 -22.972 -3.342
14 HB3 HIS 43 2HB HIS 43 -5.628 -22.283 -1.782
15 HD1 HIS 43 1HD HIS 43 -6.580 -25.017 -3.542
16 HD2 HIS 43 2HD HIS 43 -8.775 -21.763 -2.181
17 HE1 HIS 43 1HE HIS 43 -8.962 -25.815 -3.426
18 HE2 HIS 43 2HE HIS 43 -10.305 -23.826 -2.594
19 H MET 44 HN MET 44 -5.212 -18.841 -4.527
20 HA MET 44 HA MET 44 -2.907 -18.535 -2.744
21 HB2 MET 44 3HB MET 44 -2.010 -19.600 -4.721
22 HB3 MET 44 2HB MET 44 -2.809 -18.413 -5.763
23 HG2 MET 44 3HG MET 44 -1.313 -16.739 -5.271
24 HG3 MET 44 2HG MET 44 -0.890 -17.446 -3.708
25 HE1 MET 44 3HE MET 44 0.673 -18.859 -7.800
26 HE2 MET 44 1HE MET 44 -1.024 -18.571 -7.416
27 HE3 MET 44 2HE MET 44 0.102 -17.216 -7.504
28 H THR 45 HN THR 45 -3.117 -16.628 -1.792
29 HA THR 45 HA THR 45 -4.311 -14.409 -3.321
30 HB THR 45 HB THR 45 -4.249 -14.804 -0.323
31 HG1 THR 45 1HG THR 45 -6.395 -14.926 -2.200
32 HG21 THR 45 3HG2 THR 45 -4.670 -12.460 -1.951
33 HG22 THR 45 1HG2 THR 45 -4.582 -12.601 -0.196
34 HG23 THR 45 2HG2 THR 45 -6.120 -12.846 -1.025
35 H SER 46 HN SER 46 -2.915 -12.907 -3.938
36 HA SER 46 HA SER 46 -0.305 -12.719 -2.699
37 HB2 SER 46 1HB SER 46 0.080 -10.967 -4.488
38 HB3 SER 46 2HB SER 46 -0.320 -12.586 -5.088
39 HG SER 46 HG SER 46 -1.649 -11.288 -6.210
40 H GLU 47 HN GLU 47 -1.008 -11.961 -0.618
41 HA GLU 47 HA GLU 47 -2.504 -9.688 -0.106
42 HB2 GLU 47 3HB GLU 47 -1.643 -11.389 1.559
43 HB3 GLU 47 2HB GLU 47 -0.097 -10.527 1.509
44 HG2 GLU 47 3HG GLU 47 -1.366 -9.816 3.431
45 HG3 GLU 47 2HG GLU 47 -1.219 -8.486 2.275
46 HE2 GLU 47 HE GLU 47 -4.823 -10.158 2.387
47 H LEU 48 HN LEU 48 1.005 -9.958 -0.597
48 HA LEU 48 HA LEU 48 1.720 -7.320 -0.159
49 HB2 LEU 48 3HB LEU 48 3.621 -7.766 -1.720
50 HB3 LEU 48 2HB LEU 48 3.410 -8.964 -0.430
51 HG LEU 48 HG LEU 48 2.048 -10.210 -2.355
52 HD11 LEU 48 1HD1 LEU 48 2.593 -9.698 -4.483
53 HD12 LEU 48 2HD1 LEU 48 4.223 -9.178 -4.060
54 HD13 LEU 48 3HD1 LEU 48 2.857 -8.094 -3.796
55 HD21 LEU 48 3HD2 LEU 48 4.341 -10.651 -1.020
56 HD22 LEU 48 1HD2 LEU 48 4.970 -10.477 -2.659
57 HD23 LEU 48 2HD2 LEU 48 3.745 -11.698 -2.309
58 H GLN 49 HN GLN 49 0.206 -8.789 -2.950
59 HA GLN 49 HA GLN 49 0.556 -6.477 -4.631
60 HB2 GLN 49 3HB GLN 49 -0.720 -9.154 -4.879
61 HB3 GLN 49 2HB GLN 49 -1.327 -7.866 -5.931
62 HG2 GLN 49 3HG GLN 49 1.612 -8.433 -5.741
63 HG3 GLN 49 2HG GLN 49 0.557 -9.390 -6.791
64 HE21 GLN 49 1HE2 GLN 49 2.263 -6.475 -6.407
65 HE22 GLN 49 2HE2 GLN 49 1.779 -5.721 -7.885
66 H MET 50 HN MET 50 -2.032 -7.876 -2.683
67 HA MET 50 HA MET 50 -4.087 -6.138 -3.516
68 HB2 MET 50 3HB MET 50 -4.311 -8.315 -2.220
69 HB3 MET 50 2HB MET 50 -3.870 -7.386 -0.780
70 HG2 MET 50 3HG MET 50 -5.852 -6.248 -0.711
71 HG3 MET 50 2HG MET 50 -6.094 -6.368 -2.455
72 HE1 MET 50 3HE MET 50 -5.382 -8.605 0.493
73 HE2 MET 50 1HE MET 50 -6.635 -9.847 0.473
74 HE3 MET 50 2HE MET 50 -5.284 -9.940 -0.657
75 H LYS 51 HN LYS 51 -1.614 -5.877 -1.032
76 HA LYS 51 HA LYS 51 -2.562 -3.742 0.445
77 HB2 LYS 51 3HB LYS 51 0.067 -4.931 -0.126
78 HB3 LYS 51 2HB LYS 51 0.127 -3.223 0.340
79 HG2 LYS 51 3HG LYS 51 -1.401 -3.942 2.305
80 HG3 LYS 51 2HG LYS 51 -0.823 -5.573 1.921
81 HD2 LYS 51 3HD LYS 51 1.431 -5.001 2.354
82 HD3 LYS 51 2HD LYS 51 1.059 -3.269 2.364
83 HE2 LYS 51 3HE LYS 51 -0.288 -5.067 4.347
84 HE3 LYS 51 2HE LYS 51 1.390 -4.568 4.614
85 HZ1 LYS 51 3HZ LYS 51 0.394 -2.831 5.610
86 HZ2 LYS 51 1HZ LYS 51 -1.048 -2.996 4.741
87 HZ3 LYS 51 2HZ LYS 51 0.281 -2.226 4.034
88 H VAL 52 HN VAL 52 -0.708 -3.683 -2.579
89 HA VAL 52 HA VAL 52 -0.851 -0.788 -2.714
90 HB VAL 52 HB VAL 52 0.184 -2.685 -4.821
91 HG11 VAL 52 1HG1 VAL 52 1.460 -0.100 -4.612
92 HG12 VAL 52 2HG1 VAL 52 0.708 -0.876 -6.008
93 HG13 VAL 52 3HG1 VAL 52 -0.276 0.058 -4.881
94 HG21 VAL 52 3HG2 VAL 52 1.582 -1.452 -2.455
95 HG22 VAL 52 1HG2 VAL 52 1.438 -3.163 -2.863
96 HG23 VAL 52 2HG2 VAL 52 2.437 -2.101 -3.855
97 H ASP 53 HN ASP 53 -2.050 -3.551 -4.609
98 HA ASP 53 HA ASP 53 -3.434 -2.194 -6.573
99 HB2 ASP 53 3HB ASP 53 -3.068 -4.746 -6.196
100 HB3 ASP 53 2HB ASP 53 -4.600 -4.661 -5.317
101 HD2 ASP 53 HD ASP 53 -6.312 -4.856 -8.258
102 H PHE 54 HN PHE 54 -4.273 -2.677 -3.225
103 HA PHE 54 HA PHE 54 -7.016 -2.072 -3.366
104 HB2 PHE 54 3HB PHE 54 -6.006 -3.096 -1.392
105 HB3 PHE 54 2HB PHE 54 -5.060 -1.635 -1.100
106 HD1 PHE 54 2HD PHE 54 -8.463 -3.035 -1.071
107 HD2 PHE 54 1HD PHE 54 -5.990 0.271 -0.036
108 HE1 PHE 54 2HE PHE 54 -10.282 -2.110 0.303
109 HE2 PHE 54 1HE PHE 54 -7.804 1.201 1.342
110 HZ PHE 54 HZ PHE 54 -9.954 0.012 1.512
111 H PHE 55 HN PHE 55 -4.560 0.075 -1.946
112 HA PHE 55 HA PHE 55 -6.056 2.404 -2.099
113 HB2 PHE 55 3HB PHE 55 -3.100 1.865 -1.984
114 HB3 PHE 55 2HB PHE 55 -3.696 3.519 -2.142
115 HD1 PHE 55 2HD PHE 55 -5.342 4.382 -0.404
116 HD2 PHE 55 1HD PHE 55 -3.024 0.852 0.123
117 HE1 PHE 55 2HE PHE 55 -5.698 4.516 2.027
118 HE2 PHE 55 1HE PHE 55 -3.376 0.980 2.555
119 HZ PHE 55 HZ PHE 55 -4.714 2.814 3.511
120 H ARG 56 HN ARG 56 -4.275 0.750 -4.565
121 HA ARG 56 HA ARG 56 -3.843 2.830 -6.382
122 HB2 ARG 56 3HB ARG 56 -4.207 -0.137 -6.661
123 HB3 ARG 56 2HB ARG 56 -4.075 0.882 -8.102
124 HG2 ARG 56 3HG ARG 56 -1.997 1.414 -6.114
125 HG3 ARG 56 2HG ARG 56 -1.980 -0.240 -6.750
126 HD2 ARG 56 3HD ARG 56 -1.941 2.301 -8.399
127 HD3 ARG 56 2HD ARG 56 -0.565 1.232 -8.087
128 HE ARG 56 HE ARG 56 -2.640 0.840 -10.014
129 HH11 ARG 56 1HH1 ARG 56 -0.363 -0.793 -7.946
130 HH12 ARG 56 2HH1 ARG 56 -0.288 -2.215 -8.932
131 HH21 ARG 56 1HH2 ARG 56 -2.550 -1.028 -11.320
132 HH22 ARG 56 2HH2 ARG 56 -1.532 -2.347 -10.852
133 H LYS 57 HN LYS 57 -6.730 1.116 -5.525
134 HA LYS 57 HA LYS 57 -8.191 2.176 -7.822
135 HB2 LYS 57 3HB LYS 57 -9.871 0.654 -7.361
136 HB3 LYS 57 2HB LYS 57 -8.426 -0.220 -6.825
137 HG2 LYS 57 3HG LYS 57 -9.093 1.031 -4.528
138 HG3 LYS 57 2HG LYS 57 -10.690 0.824 -5.263
139 HD2 LYS 57 3HD LYS 57 -8.663 -1.382 -4.835
140 HD3 LYS 57 2HD LYS 57 -10.084 -1.074 -3.819
141 HE2 LYS 57 3HE LYS 57 -10.099 -1.828 -6.752
142 HE3 LYS 57 2HE LYS 57 -10.546 -2.866 -5.390
143 HZ1 LYS 57 3HZ LYS 57 -12.535 -2.036 -6.335
144 HZ2 LYS 57 1HZ LYS 57 -11.967 -0.443 -6.340
145 HZ3 LYS 57 2HZ LYS 57 -12.321 -1.210 -4.874
146 H LEU 58 HN LEU 58 -7.640 2.814 -4.487
147 HA LEU 58 HA LEU 58 -9.989 4.177 -3.804
148 HB2 LEU 58 3HB LEU 58 -7.192 4.111 -2.817
149 HB3 LEU 58 2HB LEU 58 -8.187 5.495 -2.332
150 HG LEU 58 HG LEU 58 -8.153 3.685 -0.654
151 HD11 LEU 58 1HD1 LEU 58 -10.574 4.770 -1.915
152 HD12 LEU 58 2HD1 LEU 58 -10.044 4.823 -0.234
153 HD13 LEU 58 3HD1 LEU 58 -10.830 3.376 -0.867
154 HD21 LEU 58 3HD2 LEU 58 -7.949 1.744 -2.030
155 HD22 LEU 58 1HD2 LEU 58 -9.457 2.109 -2.867
156 HD23 LEU 58 2HD2 LEU 58 -9.485 1.633 -1.169
157 H GLY 59 HN GLY 59 -7.427 5.041 -5.914
158 HA2 GLY 59 2HA GLY 59 -7.950 6.860 -7.480
159 HA3 GLY 59 3HA GLY 59 -8.537 7.774 -6.098
160 H TYR 60 HN TYR 60 -5.703 5.917 -5.588
161 HA TYR 60 HA TYR 60 -4.143 8.383 -5.414
162 HB2 TYR 60 3HB TYR 60 -3.827 5.613 -4.279
163 HB3 TYR 60 2HB TYR 60 -2.457 6.726 -4.327
164 HD1 TYR 60 2HD TYR 60 -2.867 9.099 -3.299
165 HD2 TYR 60 1HD TYR 60 -5.242 5.677 -2.428
166 HE1 TYR 60 2HE TYR 60 -3.620 10.160 -1.213
167 HE2 TYR 60 1HE TYR 60 -6.002 6.730 -0.339
168 HH TYR 60 HH TYR 60 -6.236 9.022 0.588
169 H SER 61 HN SER 61 -1.636 7.768 -5.813
170 HA SER 61 HA SER 61 -1.550 6.888 -8.614
171 HB2 SER 61 1HB SER 61 -0.245 9.021 -7.105
172 HB3 SER 61 2HB SER 61 0.910 8.044 -8.027
173 HG SER 61 HG SER 61 -0.245 9.932 -9.083
174 H SER 62 HN SER 62 -0.283 5.230 -9.270
175 HA SER 62 HA SER 62 0.458 3.221 -7.506
176 HB2 SER 62 1HB SER 62 1.921 2.415 -9.472
177 HB3 SER 62 2HB SER 62 0.180 2.582 -9.757
178 HG SER 62 HG SER 62 1.401 3.530 -11.438
179 H SER 63 HN SER 63 2.433 5.785 -8.941
180 HA SER 63 HA SER 63 4.916 4.945 -7.945
181 HB2 SER 63 1HB SER 63 4.034 7.804 -8.445
182 HB3 SER 63 2HB SER 63 5.696 7.189 -8.427
183 HG SER 63 HG SER 63 3.828 7.102 -10.425
184 H GLU 64 HN GLU 64 2.250 6.531 -6.419
185 HA GLU 64 HA GLU 64 3.779 7.480 -4.162
186 HB2 GLU 64 3HB GLU 64 0.791 7.293 -4.620
187 HB3 GLU 64 2HB GLU 64 1.556 8.070 -3.225
188 HG2 GLU 64 3HG GLU 64 2.464 9.004 -5.876
189 HG3 GLU 64 2HG GLU 64 0.791 9.382 -5.440
190 HE2 GLU 64 HE GLU 64 3.641 11.455 -3.792
191 H ILE 65 HN ILE 65 1.177 5.072 -4.565
192 HA ILE 65 HA ILE 65 1.382 3.973 -1.994
193 HB ILE 65 HB ILE 65 0.441 2.631 -4.531
194 HG12 ILE 65 1HG1 ILE 65 -1.317 3.777 -2.380
195 HG13 ILE 65 2HG1 ILE 65 -0.667 4.824 -3.652
196 HG21 ILE 65 1HG2 ILE 65 0.890 0.947 -2.909
197 HG22 ILE 65 2HG2 ILE 65 0.115 1.884 -1.633
198 HG23 ILE 65 3HG2 ILE 65 -0.856 1.197 -2.935
199 HD11 ILE 65 3HD1 ILE 65 -2.996 3.831 -3.990
200 HD12 ILE 65 1HD1 ILE 65 -1.855 3.742 -5.331
201 HD13 ILE 65 2HD1 ILE 65 -2.154 2.319 -4.333
202 H HIS 66 HN HIS 66 3.089 3.253 -4.979
203 HA HIS 66 HA HIS 66 4.353 0.885 -3.977
204 HB2 HIS 66 3HB HIS 66 3.901 1.579 -6.439
205 HB3 HIS 66 2HB HIS 66 5.394 2.510 -6.282
206 HD1 HIS 66 1HD HIS 66 7.564 1.278 -6.525
207 HD2 HIS 66 2HD HIS 66 4.317 -1.280 -6.108
208 HE1 HIS 66 1HE HIS 66 8.465 -1.030 -6.962
209 HE2 HIS 66 2HE HIS 66 6.482 -2.594 -6.707
210 H SER 67 HN SER 67 5.025 4.281 -3.900
211 HA SER 67 HA SER 67 7.819 4.043 -3.327
212 HB2 SER 67 1HB SER 67 7.403 6.137 -4.179
213 HB3 SER 67 2HB SER 67 5.822 6.252 -3.390
214 HG SER 67 HG SER 67 6.727 7.019 -1.620
215 H VAL 68 HN VAL 68 4.968 4.850 -1.348
216 HA VAL 68 HA VAL 68 6.310 4.992 1.112
217 HB VAL 68 HB VAL 68 4.097 4.674 2.154
218 HG11 VAL 68 1HG1 VAL 68 2.999 6.626 1.132
219 HG12 VAL 68 2HG1 VAL 68 4.727 6.885 1.381
220 HG13 VAL 68 3HG1 VAL 68 4.112 6.520 -0.232
221 HG21 VAL 68 3HG2 VAL 68 2.176 4.607 0.360
222 HG22 VAL 68 1HG2 VAL 68 3.402 3.779 -0.601
223 HG23 VAL 68 2HG2 VAL 68 2.908 3.119 0.958
224 H LEU 69 HN LEU 69 4.936 2.280 -0.649
225 HA LEU 69 HA LEU 69 5.198 0.412 1.503
226 HB2 LEU 69 3HB LEU 69 4.382 0.357 -1.332
227 HB3 LEU 69 2HB LEU 69 5.107 -1.140 -0.717
228 HG LEU 69 HG LEU 69 2.618 -1.083 -0.630
229 HD11 LEU 69 1HD1 LEU 69 3.374 -1.228 2.204
230 HD12 LEU 69 2HD1 LEU 69 4.377 -2.178 1.109
231 HD13 LEU 69 3HD1 LEU 69 2.634 -2.440 1.159
232 HD21 LEU 69 3HD2 LEU 69 1.576 0.248 1.171
233 HD22 LEU 69 1HD2 LEU 69 2.274 1.248 -0.103
234 HD23 LEU 69 2HD2 LEU 69 3.121 1.060 1.433
235 H GLN 70 HN GLN 70 7.196 1.426 -1.193
236 HA GLN 70 HA GLN 70 9.077 -0.665 -1.113
237 HB2 GLN 70 3HB GLN 70 9.017 0.748 -3.033
238 HB3 GLN 70 2HB GLN 70 9.284 2.195 -2.046
239 HG2 GLN 70 3HG GLN 70 11.306 1.643 -3.228
240 HG3 GLN 70 2HG GLN 70 11.535 1.391 -1.491
241 HE21 GLN 70 1HE2 GLN 70 10.272 -0.502 -4.220
242 HE22 GLN 70 2HE2 GLN 70 11.185 -1.928 -3.873
243 H LYS 71 HN LYS 71 8.627 2.144 0.867
244 HA LYS 71 HA LYS 71 11.251 1.832 2.112
245 HB2 LYS 71 3HB LYS 71 10.238 4.093 1.482
246 HB3 LYS 71 2HB LYS 71 9.143 3.852 2.854
247 HG2 LYS 71 3HG LYS 71 10.898 5.201 3.658
248 HG3 LYS 71 2HG LYS 71 11.196 3.573 4.294
249 HD2 LYS 71 3HD LYS 71 12.715 3.215 2.277
250 HD3 LYS 71 2HD LYS 71 12.594 4.966 2.023
251 HE2 LYS 71 3HE LYS 71 13.405 5.305 4.366
252 HE3 LYS 71 2HE LYS 71 13.668 3.557 4.463
253 HZ1 LYS 71 3HZ LYS 71 15.696 4.051 3.705
254 HZ2 LYS 71 1HZ LYS 71 15.239 5.578 3.139
255 HZ3 LYS 71 2HZ LYS 71 14.960 4.206 2.190
256 H LEU 72 HN LEU 72 7.820 1.897 3.058
257 HA LEU 72 HA LEU 72 8.238 1.159 5.743
258 HB2 LEU 72 3HB LEU 72 5.923 1.225 3.874
259 HB3 LEU 72 2HB LEU 72 5.764 0.264 5.355
260 HG LEU 72 HG LEU 72 6.096 2.209 6.727
261 HD11 LEU 72 1HD1 LEU 72 7.012 3.393 4.182
262 HD12 LEU 72 2HD1 LEU 72 7.574 3.665 5.831
263 HD13 LEU 72 3HD1 LEU 72 6.100 4.449 5.261
264 HD21 LEU 72 3HD2 LEU 72 3.913 1.794 5.070
265 HD22 LEU 72 1HD2 LEU 72 4.254 3.518 4.916
266 HD23 LEU 72 2HD2 LEU 72 3.965 2.815 6.509
267 H GLY 73 HN GLY 73 7.101 -0.821 2.996
268 HA2 GLY 73 2HA GLY 73 7.861 -3.008 2.513
269 HA3 GLY 73 3HA GLY 73 8.506 -3.118 4.145
270 H VAL 74 HN VAL 74 7.549 -4.921 4.904
271 HA VAL 74 HA VAL 74 4.658 -5.246 4.566
272 HB VAL 74 HB VAL 74 6.688 -7.182 5.694
273 HG11 VAL 74 1HG1 VAL 74 4.746 -7.948 6.619
274 HG12 VAL 74 2HG1 VAL 74 3.738 -7.278 5.335
275 HG13 VAL 74 3HG1 VAL 74 4.664 -8.753 5.052
276 HG21 VAL 74 3HG2 VAL 74 6.994 -6.682 3.288
277 HG22 VAL 74 1HG2 VAL 74 6.519 -8.353 3.590
278 HG23 VAL 74 2HG2 VAL 74 5.331 -7.191 2.999
279 H GLN 75 HN GLN 75 7.007 -4.350 6.905
280 HA GLN 75 HA GLN 75 5.612 -5.056 9.261
281 HB2 GLN 75 3HB GLN 75 7.092 -3.429 10.384
282 HB3 GLN 75 2HB GLN 75 7.980 -4.533 9.322
283 HG2 GLN 75 3HG GLN 75 8.262 -2.861 7.655
284 HG3 GLN 75 2HG GLN 75 7.142 -1.772 8.485
285 HE21 GLN 75 1HE2 GLN 75 9.818 -3.723 9.732
286 HE22 GLN 75 2HE2 GLN 75 10.707 -2.398 10.392
287 H ALA 76 HN ALA 76 5.161 -2.556 6.959
288 HA ALA 76 HA ALA 76 4.055 -0.491 8.414
289 HB1 ALA 76 1HB ALA 76 4.328 -1.070 5.750
290 HB2 ALA 76 2HB ALA 76 2.577 -1.057 5.963
291 HB3 ALA 76 3HB ALA 76 3.530 0.357 6.413
292 H ASP 77 HN ASP 77 1.664 0.118 8.392
293 HA ASP 77 HA ASP 77 -0.014 -2.217 9.017
294 HB2 ASP 77 3HB ASP 77 -0.320 0.314 10.596
295 HB3 ASP 77 2HB ASP 77 -0.735 -1.347 11.043
296 HD2 ASP 77 HD ASP 77 2.789 -1.936 11.654
297 H THR 78 HN THR 78 -2.380 -1.129 9.526
298 HA THR 78 HA THR 78 -3.262 -0.246 6.964
299 HB THR 78 HB THR 78 -4.818 -0.299 9.557
300 HG1 THR 78 1HG THR 78 -4.979 -2.390 9.262
301 HG21 THR 78 3HG2 THR 78 -5.789 1.044 7.678
302 HG22 THR 78 1HG2 THR 78 -6.787 -0.315 8.190
303 HG23 THR 78 2HG2 THR 78 -5.825 -0.433 6.716
304 H ASN 79 HN ASN 79 -2.541 1.338 9.999
305 HA ASN 79 HA ASN 79 -3.687 3.859 9.139
306 HB2 ASN 79 3HB ASN 79 -3.246 4.668 11.295
307 HB3 ASN 79 2HB ASN 79 -3.639 2.962 11.553
308 HD21 ASN 79 1HD2 ASN 79 -2.159 1.622 12.419
309 HD22 ASN 79 2HD2 ASN 79 -0.571 2.105 12.899
310 H THR 80 HN THR 80 -0.530 2.360 9.463
311 HA THR 80 HA THR 80 1.100 4.603 9.182
312 HB THR 80 HB THR 80 1.952 2.102 7.815
313 HG1 THR 80 1HG THR 80 2.302 1.151 9.923
314 HG21 THR 80 3HG2 THR 80 3.441 3.401 10.032
315 HG22 THR 80 1HG2 THR 80 3.286 4.294 8.521
316 HG23 THR 80 2HG2 THR 80 4.037 2.698 8.528
317 H VAL 81 HN VAL 81 -0.081 2.391 6.646
318 HA VAL 81 HA VAL 81 1.033 3.609 4.437
319 HB VAL 81 HB VAL 81 -1.728 2.388 4.532
320 HG11 VAL 81 1HG1 VAL 81 -1.059 1.747 2.153
321 HG12 VAL 81 2HG1 VAL 81 -1.477 3.436 2.448
322 HG13 VAL 81 3HG1 VAL 81 0.214 2.955 2.314
323 HG21 VAL 81 3HG2 VAL 81 -0.787 0.423 4.964
324 HG22 VAL 81 1HG2 VAL 81 0.240 0.593 3.540
325 HG23 VAL 81 2HG2 VAL 81 0.788 1.205 5.101
326 H LEU 82 HN LEU 82 -2.208 4.235 5.791
327 HA LEU 82 HA LEU 82 -2.959 6.276 4.067
328 HB2 LEU 82 3HB LEU 82 -3.639 6.002 7.001
329 HB3 LEU 82 2HB LEU 82 -4.519 6.976 5.811
330 HG LEU 82 HG LEU 82 -4.248 4.044 5.340
331 HD11 LEU 82 1HD1 LEU 82 -6.576 4.961 6.923
332 HD12 LEU 82 2HD1 LEU 82 -5.051 4.740 7.780
333 HD13 LEU 82 3HD1 LEU 82 -5.767 3.394 6.893
334 HD21 LEU 82 3HD2 LEU 82 -5.352 5.924 3.854
335 HD22 LEU 82 1HD2 LEU 82 -6.716 5.655 4.940
336 HD23 LEU 82 2HD2 LEU 82 -6.071 4.318 3.987
337 H GLY 83 HN GLY 83 -1.351 6.547 7.237
338 HA2 GLY 83 2HA GLY 83 -1.147 9.299 7.402
339 HA3 GLY 83 3HA GLY 83 0.027 8.180 8.081
340 H GLU 84 HN GLU 84 1.148 7.061 5.855
341 HA GLU 84 HA GLU 84 3.099 8.869 5.120
342 HB2 GLU 84 3HB GLU 84 2.093 6.405 3.686
343 HB3 GLU 84 2HB GLU 84 3.542 7.296 3.194
344 HG2 GLU 84 3HG GLU 84 3.076 5.777 5.748
345 HG3 GLU 84 2HG GLU 84 4.281 5.472 4.490
346 HE2 GLU 84 HE GLU 84 6.125 8.343 5.637
347 H LEU 85 HN LEU 85 0.053 8.122 3.501
348 HA LEU 85 HA LEU 85 0.605 9.864 1.275
349 HB2 LEU 85 3HB LEU 85 -2.078 8.738 2.063
350 HB3 LEU 85 2HB LEU 85 -1.534 9.260 0.459
351 HG LEU 85 HG LEU 85 -0.281 6.912 1.854
352 HD11 LEU 85 1HD1 LEU 85 -2.191 6.205 -0.194
353 HD12 LEU 85 2HD1 LEU 85 -2.965 7.038 1.153
354 HD13 LEU 85 3HD1 LEU 85 -2.014 5.583 1.447
355 HD21 LEU 85 3HD2 LEU 85 -0.282 8.077 -0.889
356 HD22 LEU 85 1HD2 LEU 85 -0.094 6.333 -0.701
357 HD23 LEU 85 2HD2 LEU 85 1.054 7.431 0.065
358 H VAL 86 HN VAL 86 -1.074 10.062 4.333
359 HA VAL 86 HA VAL 86 -2.530 12.436 3.805
360 HB VAL 86 HB VAL 86 -1.596 11.318 6.454
361 HG11 VAL 86 1HG1 VAL 86 -2.142 13.593 6.804
362 HG12 VAL 86 2HG1 VAL 86 -3.566 13.487 5.766
363 HG13 VAL 86 3HG1 VAL 86 -3.546 12.665 7.327
364 HG21 VAL 86 3HG2 VAL 86 -3.214 9.802 6.288
365 HG22 VAL 86 1HG2 VAL 86 -4.405 11.051 5.919
366 HG23 VAL 86 2HG2 VAL 86 -3.467 10.314 4.619
367 H LYS 87 HN LYS 87 0.757 11.801 4.707
368 HA LYS 87 HA LYS 87 1.223 14.633 5.307
369 HB2 LYS 87 3HB LYS 87 2.630 12.087 5.944
370 HB3 LYS 87 2HB LYS 87 3.622 13.540 5.752
371 HG2 LYS 87 3HG LYS 87 1.788 14.556 7.388
372 HG3 LYS 87 2HG LYS 87 1.653 12.851 7.856
373 HD2 LYS 87 3HD LYS 87 4.046 12.752 8.319
374 HD3 LYS 87 2HD LYS 87 4.220 14.439 7.802
375 HE2 LYS 87 3HE LYS 87 4.067 14.765 10.059
376 HE3 LYS 87 2HE LYS 87 2.351 14.824 9.633
377 HZ1 LYS 87 3HZ LYS 87 2.940 12.157 10.053
378 HZ2 LYS 87 1HZ LYS 87 2.037 13.176 11.057
379 HZ3 LYS 87 2HZ LYS 87 3.698 12.991 11.315
380 H HIS 88 HN HIS 88 2.504 12.010 3.275
381 HA HIS 88 HA HIS 88 4.166 13.793 1.755
382 HB2 HIS 88 3HB HIS 88 4.477 11.248 2.223
383 HB3 HIS 88 2HB HIS 88 3.393 11.038 0.844
384 HD1 HIS 88 1HD HIS 88 4.242 12.235 -1.449
385 HD2 HIS 88 2HD HIS 88 7.088 11.604 1.509
386 HE1 HIS 88 1HE HIS 88 6.466 12.416 -2.608
387 HE2 HIS 88 2HE HIS 88 8.207 12.030 -0.801
388 H GLY 89 HN GLY 89 1.358 11.768 0.863
389 HA2 GLY 89 2HA GLY 89 0.972 13.275 -1.573
390 HA3 GLY 89 3HA GLY 89 -0.008 11.929 -1.009
Start of MODEL 9
1 H1 GLY 41 HN GLY 41 -8.011 -23.457 -13.350
2 HA2 GLY 41 2HA GLY 41 -7.435 -24.206 -11.242
3 HA3 GLY 41 3HA GLY 41 -6.091 -23.096 -11.460
4 HA PRO 42 HA PRO 42 -8.636 -21.839 -7.741
5 HB2 PRO 42 3HB PRO 42 -6.566 -21.901 -5.948
6 HB3 PRO 42 2HB PRO 42 -7.567 -23.302 -6.328
7 HG2 PRO 42 3HG PRO 42 -4.879 -22.533 -7.417
8 HG3 PRO 42 2HG PRO 42 -5.460 -24.141 -6.842
9 HD2 PRO 42 3HD PRO 42 -5.293 -23.499 -9.473
10 HD3 PRO 42 2HD PRO 42 -6.550 -24.567 -8.827
11 H HIS 43 HN HIS 43 -8.791 -19.757 -7.053
12 HA HIS 43 HA HIS 43 -6.893 -17.851 -8.181
13 HB2 HIS 43 3HB HIS 43 -9.497 -17.312 -6.733
14 HB3 HIS 43 2HB HIS 43 -8.560 -16.158 -7.685
15 HD1 HIS 43 1HD HIS 43 -8.073 -17.585 -10.268
16 HD2 HIS 43 2HD HIS 43 -11.695 -17.813 -8.245
17 HE1 HIS 43 1HE HIS 43 -9.777 -18.217 -12.008
18 HE2 HIS 43 2HE HIS 43 -11.990 -18.355 -10.773
19 H MET 44 HN MET 44 -5.512 -16.642 -7.015
20 HA MET 44 HA MET 44 -5.818 -16.482 -4.117
21 HB2 MET 44 3HB MET 44 -3.467 -17.705 -5.551
22 HB3 MET 44 2HB MET 44 -3.304 -17.004 -3.933
23 HG2 MET 44 3HG MET 44 -5.063 -18.547 -3.117
24 HG3 MET 44 2HG MET 44 -5.099 -19.287 -4.720
25 HE1 MET 44 3HE MET 44 -4.417 -21.459 -4.735
26 HE2 MET 44 1HE MET 44 -3.094 -22.225 -3.857
27 HE3 MET 44 2HE MET 44 -4.536 -21.697 -2.991
28 H THR 45 HN THR 45 -5.452 -14.475 -3.443
29 HA THR 45 HA THR 45 -4.003 -12.646 -5.233
30 HB THR 45 HB THR 45 -5.979 -12.017 -3.031
31 HG1 THR 45 1HG THR 45 -6.146 -12.043 -5.868
32 HG21 THR 45 3HG2 THR 45 -4.273 -10.271 -3.263
33 HG22 THR 45 1HG2 THR 45 -5.845 -9.709 -3.828
34 HG23 THR 45 2HG2 THR 45 -4.605 -10.175 -4.992
35 H SER 46 HN SER 46 -1.950 -12.352 -4.672
36 HA SER 46 HA SER 46 -0.818 -12.977 -2.198
37 HB2 SER 46 1HB SER 46 0.242 -12.456 -4.579
38 HB3 SER 46 2HB SER 46 0.431 -10.841 -3.873
39 HG SER 46 HG SER 46 1.971 -12.938 -3.488
40 H GLU 47 HN GLU 47 -0.875 -11.993 -0.295
41 HA GLU 47 HA GLU 47 -2.356 -9.732 0.279
42 HB2 GLU 47 3HB GLU 47 0.037 -10.794 1.800
43 HB3 GLU 47 2HB GLU 47 -1.187 -9.690 2.443
44 HG2 GLU 47 3HG GLU 47 -2.849 -11.326 2.468
45 HG3 GLU 47 2HG GLU 47 -1.948 -12.374 1.362
46 HE2 GLU 47 HE GLU 47 0.038 -13.622 3.957
47 H LEU 48 HN LEU 48 1.021 -10.003 -0.636
48 HA LEU 48 HA LEU 48 1.752 -7.330 -0.026
49 HB2 LEU 48 3HB LEU 48 3.689 -7.771 -1.531
50 HB3 LEU 48 2HB LEU 48 3.466 -8.964 -0.240
51 HG LEU 48 HG LEU 48 2.153 -10.218 -2.211
52 HD11 LEU 48 1HD1 LEU 48 2.854 -9.763 -4.321
53 HD12 LEU 48 2HD1 LEU 48 4.420 -9.151 -3.790
54 HD13 LEU 48 3HD1 LEU 48 2.983 -8.140 -3.644
55 HD21 LEU 48 3HD2 LEU 48 4.693 -10.399 -0.939
56 HD22 LEU 48 1HD2 LEU 48 4.882 -10.818 -2.641
57 HD23 LEU 48 2HD2 LEU 48 3.714 -11.687 -1.645
58 H GLN 49 HN GLN 49 0.353 -8.886 -2.837
59 HA GLN 49 HA GLN 49 0.668 -6.581 -4.533
60 HB2 GLN 49 3HB GLN 49 -0.518 -9.299 -4.788
61 HB3 GLN 49 2HB GLN 49 -1.119 -8.042 -5.879
62 HG2 GLN 49 3HG GLN 49 1.826 -8.489 -5.578
63 HG3 GLN 49 2HG GLN 49 0.855 -9.541 -6.618
64 HE21 GLN 49 1HE2 GLN 49 2.375 -6.510 -6.292
65 HE22 GLN 49 2HE2 GLN 49 1.915 -5.853 -7.821
66 H MET 50 HN MET 50 -1.778 -7.882 -2.416
67 HA MET 50 HA MET 50 -3.927 -6.280 -3.396
68 HB2 MET 50 3HB MET 50 -4.292 -8.387 -2.171
69 HB3 MET 50 2HB MET 50 -3.607 -7.646 -0.718
70 HG2 MET 50 3HG MET 50 -5.469 -6.434 -0.268
71 HG3 MET 50 2HG MET 50 -5.857 -6.214 -1.975
72 HE1 MET 50 3HE MET 50 -5.129 -8.999 0.417
73 HE2 MET 50 1HE MET 50 -6.560 -10.031 0.427
74 HE3 MET 50 2HE MET 50 -5.389 -10.160 -0.885
75 H LYS 51 HN LYS 51 -1.512 -5.925 -0.866
76 HA LYS 51 HA LYS 51 -2.543 -3.787 0.552
77 HB2 LYS 51 3HB LYS 51 0.127 -4.924 0.065
78 HB3 LYS 51 2HB LYS 51 0.132 -3.211 0.514
79 HG2 LYS 51 3HG LYS 51 -1.322 -3.841 2.486
80 HG3 LYS 51 2HG LYS 51 -0.956 -5.528 2.086
81 HD2 LYS 51 3HD LYS 51 1.399 -5.179 2.418
82 HD3 LYS 51 2HD LYS 51 1.152 -3.434 2.601
83 HE2 LYS 51 3HE LYS 51 0.253 -3.629 4.719
84 HE3 LYS 51 2HE LYS 51 -0.288 -5.289 4.437
85 HZ1 LYS 51 3HZ LYS 51 2.000 -4.499 5.747
86 HZ2 LYS 51 1HZ LYS 51 2.539 -5.121 4.269
87 HZ3 LYS 51 2HZ LYS 51 1.585 -6.073 5.291
88 H VAL 52 HN VAL 52 -0.655 -3.752 -2.446
89 HA VAL 52 HA VAL 52 -0.814 -0.861 -2.626
90 HB VAL 52 HB VAL 52 0.243 -2.785 -4.698
91 HG11 VAL 52 1HG1 VAL 52 0.765 -0.993 -5.911
92 HG12 VAL 52 2HG1 VAL 52 -0.233 -0.047 -4.805
93 HG13 VAL 52 3HG1 VAL 52 1.503 -0.190 -4.525
94 HG21 VAL 52 3HG2 VAL 52 1.718 -3.300 -3.057
95 HG22 VAL 52 1HG2 VAL 52 2.466 -1.791 -3.580
96 HG23 VAL 52 2HG2 VAL 52 1.414 -1.810 -2.164
97 H ASP 53 HN ASP 53 -1.980 -3.656 -4.494
98 HA ASP 53 HA ASP 53 -3.366 -2.331 -6.479
99 HB2 ASP 53 3HB ASP 53 -3.000 -4.799 -6.339
100 HB3 ASP 53 2HB ASP 53 -4.271 -4.873 -5.112
101 HD2 ASP 53 HD ASP 53 -6.654 -5.073 -7.542
102 H PHE 54 HN PHE 54 -4.219 -2.790 -3.132
103 HA PHE 54 HA PHE 54 -6.967 -2.210 -3.296
104 HB2 PHE 54 3HB PHE 54 -5.988 -3.215 -1.307
105 HB3 PHE 54 2HB PHE 54 -5.020 -1.767 -1.024
106 HD1 PHE 54 2HD PHE 54 -8.408 -3.166 -0.906
107 HD2 PHE 54 1HD PHE 54 -5.959 0.211 -0.060
108 HE1 PHE 54 2HE PHE 54 -10.214 -2.202 0.459
109 HE2 PHE 54 1HE PHE 54 -7.761 1.180 1.308
110 HZ PHE 54 HZ PHE 54 -9.892 -0.027 1.568
111 H PHE 55 HN PHE 55 -4.535 -0.037 -1.872
112 HA PHE 55 HA PHE 55 -6.046 2.279 -2.043
113 HB2 PHE 55 3HB PHE 55 -3.087 1.761 -1.916
114 HB3 PHE 55 2HB PHE 55 -3.691 3.409 -2.092
115 HD1 PHE 55 1HD PHE 55 -5.450 4.205 -0.377
116 HD2 PHE 55 2HD PHE 55 -2.906 0.845 0.211
117 HE1 PHE 55 1HE PHE 55 -5.813 4.359 2.051
118 HE2 PHE 55 2HE PHE 55 -3.265 0.993 2.640
119 HZ PHE 55 HZ PHE 55 -4.722 2.752 3.564
120 H ARG 56 HN ARG 56 -4.241 0.630 -4.496
121 HA ARG 56 HA ARG 56 -3.823 2.701 -6.324
122 HB2 ARG 56 3HB ARG 56 -4.171 -0.271 -6.588
123 HB3 ARG 56 2HB ARG 56 -4.042 0.742 -8.034
124 HG2 ARG 56 3HG ARG 56 -1.969 1.296 -6.046
125 HG3 ARG 56 2HG ARG 56 -1.944 -0.361 -6.673
126 HD2 ARG 56 3HD ARG 56 -1.919 2.168 -8.338
127 HD3 ARG 56 2HD ARG 56 -0.534 1.112 -8.016
128 HE ARG 56 HE ARG 56 -2.605 0.688 -9.942
129 HH11 ARG 56 1HH1 ARG 56 -0.312 -0.907 -7.864
130 HH12 ARG 56 2HH1 ARG 56 -0.223 -2.334 -8.841
131 HH21 ARG 56 1HH2 ARG 56 -2.496 -1.186 -11.236
132 HH22 ARG 56 2HH2 ARG 56 -1.465 -2.492 -10.760
133 H LYS 57 HN LYS 57 -6.702 0.970 -5.465
134 HA LYS 57 HA LYS 57 -8.165 2.014 -7.767
135 HB2 LYS 57 3HB LYS 57 -9.838 0.480 -7.303
136 HB3 LYS 57 2HB LYS 57 -8.386 -0.381 -6.764
137 HG2 LYS 57 3HG LYS 57 -9.062 0.872 -4.471
138 HG3 LYS 57 2HG LYS 57 -10.659 0.653 -5.207
139 HD2 LYS 57 3HD LYS 57 -9.747 -1.797 -5.643
140 HD3 LYS 57 2HD LYS 57 -8.707 -1.389 -4.267
141 HE2 LYS 57 3HE LYS 57 -10.567 -2.381 -3.259
142 HE3 LYS 57 2HE LYS 57 -10.875 -0.647 -3.103
143 HZ1 LYS 57 3HZ LYS 57 -11.954 -2.240 -5.353
144 HZ2 LYS 57 1HZ LYS 57 -12.437 -0.703 -4.835
145 HZ3 LYS 57 2HZ LYS 57 -12.787 -2.062 -3.891
146 H LEU 58 HN LEU 58 -7.623 2.666 -4.434
147 HA LEU 58 HA LEU 58 -9.983 4.015 -3.759
148 HB2 LEU 58 3HB LEU 58 -7.190 3.956 -2.763
149 HB3 LEU 58 2HB LEU 58 -8.175 5.353 -2.300
150 HG LEU 58 HG LEU 58 -8.175 3.587 -0.590
151 HD11 LEU 58 1HD1 LEU 58 -10.919 3.277 -1.150
152 HD12 LEU 58 2HD1 LEU 58 -10.444 4.862 -1.757
153 HD13 LEU 58 3HD1 LEU 58 -10.151 4.440 -0.070
154 HD21 LEU 58 3HD2 LEU 58 -7.928 1.615 -1.911
155 HD22 LEU 58 1HD2 LEU 58 -9.422 1.948 -2.788
156 HD23 LEU 58 2HD2 LEU 58 -9.482 1.511 -1.081
157 H GLY 59 HN GLY 59 -7.428 4.888 -5.872
158 HA2 GLY 59 2HA GLY 59 -7.964 6.699 -7.444
159 HA3 GLY 59 3HA GLY 59 -8.553 7.613 -6.064
160 H TYR 60 HN TYR 60 -5.705 5.771 -5.565
161 HA TYR 60 HA TYR 60 -4.158 8.247 -5.406
162 HB2 TYR 60 3HB TYR 60 -3.820 5.488 -4.250
163 HB3 TYR 60 2HB TYR 60 -2.466 6.620 -4.295
164 HD1 TYR 60 1HD TYR 60 -2.960 9.016 -3.314
165 HD2 TYR 60 2HD TYR 60 -5.197 5.520 -2.375
166 HE1 TYR 60 1HE TYR 60 -3.740 10.080 -1.238
167 HE2 TYR 60 2HE TYR 60 -5.984 6.574 -0.297
168 HH TYR 60 HH TYR 60 -4.833 8.652 1.261
169 H SER 61 HN SER 61 -1.647 7.633 -5.797
170 HA SER 61 HA SER 61 -1.558 6.736 -8.591
171 HB2 SER 61 1HB SER 61 0.788 8.091 -7.347
172 HB3 SER 61 2HB SER 61 0.115 8.255 -8.978
173 HG SER 61 HG SER 61 -0.215 10.117 -7.621
174 H SER 62 HN SER 62 -0.297 5.070 -9.239
175 HA SER 62 HA SER 62 0.435 3.067 -7.460
176 HB2 SER 62 1HB SER 62 1.343 1.914 -9.295
177 HB3 SER 62 2HB SER 62 0.117 2.965 -10.024
178 HG SER 62 HG SER 62 1.876 4.476 -10.417
179 H SER 63 HN SER 63 2.413 5.617 -8.916
180 HA SER 63 HA SER 63 4.896 4.766 -7.915
181 HB2 SER 63 1HB SER 63 3.801 7.365 -8.934
182 HB3 SER 63 2HB SER 63 5.378 7.356 -8.123
183 HG SER 63 HG SER 63 5.952 6.915 -10.139
184 H GLU 64 HN GLU 64 2.241 6.395 -6.417
185 HA GLU 64 HA GLU 64 3.772 7.387 -4.183
186 HB2 GLU 64 3HB GLU 64 0.783 7.178 -4.621
187 HB3 GLU 64 2HB GLU 64 1.555 7.993 -3.251
188 HG2 GLU 64 3HG GLU 64 2.498 8.891 -5.881
189 HG3 GLU 64 2HG GLU 64 0.787 9.202 -5.557
190 HE2 GLU 64 HE GLU 64 1.819 11.161 -2.682
191 H ILE 65 HN ILE 65 1.168 4.970 -4.518
192 HA ILE 65 HA ILE 65 1.381 3.922 -1.932
193 HB ILE 65 HB ILE 65 0.457 2.521 -4.443
194 HG12 ILE 65 1HG1 ILE 65 -1.321 3.684 -2.319
195 HG13 ILE 65 2HG1 ILE 65 -0.668 4.723 -3.597
196 HG21 ILE 65 1HG2 ILE 65 -0.848 1.129 -2.794
197 HG22 ILE 65 2HG2 ILE 65 0.893 0.857 -2.818
198 HG23 ILE 65 3HG2 ILE 65 0.170 1.822 -1.531
199 HD11 ILE 65 3HD1 ILE 65 -2.987 3.708 -3.944
200 HD12 ILE 65 1HD1 ILE 65 -1.834 3.618 -5.275
201 HD13 ILE 65 2HD1 ILE 65 -2.130 2.201 -4.267
202 H HIS 66 HN HIS 66 3.153 3.216 -4.868
203 HA HIS 66 HA HIS 66 4.421 0.860 -3.810
204 HB2 HIS 66 3HB HIS 66 3.956 1.480 -6.294
205 HB3 HIS 66 2HB HIS 66 5.443 2.422 -6.166
206 HD1 HIS 66 1HD HIS 66 7.536 1.208 -6.678
207 HD2 HIS 66 2HD HIS 66 4.477 -1.376 -5.573
208 HE1 HIS 66 1HE HIS 66 8.474 -1.108 -6.968
209 HE2 HIS 66 2HE HIS 66 6.603 -2.688 -6.294
210 H SER 67 HN SER 67 5.053 4.266 -3.845
211 HA SER 67 HA SER 67 7.851 4.082 -3.273
212 HB2 SER 67 1HB SER 67 7.120 6.100 -4.308
213 HB3 SER 67 2HB SER 67 5.851 6.337 -3.094
214 HG SER 67 HG SER 67 7.916 7.585 -2.896
215 H VAL 68 HN VAL 68 4.941 4.683 -1.333
216 HA VAL 68 HA VAL 68 6.312 4.977 1.134
217 HB VAL 68 HB VAL 68 4.100 4.665 2.184
218 HG11 VAL 68 1HG1 VAL 68 4.682 6.871 1.440
219 HG12 VAL 68 2HG1 VAL 68 4.181 6.496 -0.210
220 HG13 VAL 68 3HG1 VAL 68 2.980 6.591 1.078
221 HG21 VAL 68 3HG2 VAL 68 3.398 3.753 -0.567
222 HG22 VAL 68 1HG2 VAL 68 2.924 3.090 0.997
223 HG23 VAL 68 2HG2 VAL 68 2.175 4.572 0.404
224 H LEU 69 HN LEU 69 4.934 2.231 -0.571
225 HA LEU 69 HA LEU 69 5.214 0.404 1.614
226 HB2 LEU 69 3HB LEU 69 4.374 0.298 -1.211
227 HB3 LEU 69 2HB LEU 69 5.110 -1.187 -0.581
228 HG LEU 69 HG LEU 69 2.620 -1.136 -0.470
229 HD11 LEU 69 1HD1 LEU 69 3.026 -2.671 1.077
230 HD12 LEU 69 2HD1 LEU 69 2.948 -1.399 2.295
231 HD13 LEU 69 3HD1 LEU 69 4.499 -1.844 1.585
232 HD21 LEU 69 3HD2 LEU 69 3.129 1.019 1.579
233 HD22 LEU 69 1HD2 LEU 69 1.583 0.217 1.304
234 HD23 LEU 69 2HD2 LEU 69 2.298 1.212 0.035
235 H GLN 70 HN GLN 70 7.191 1.372 -1.116
236 HA GLN 70 HA GLN 70 9.080 -0.721 -0.978
237 HB2 GLN 70 3HB GLN 70 8.980 0.596 -2.964
238 HB3 GLN 70 2HB GLN 70 9.251 2.091 -2.055
239 HG2 GLN 70 3HG GLN 70 11.260 1.494 -3.240
240 HG3 GLN 70 2HG GLN 70 11.516 1.328 -1.497
241 HE21 GLN 70 1HE2 GLN 70 12.921 -0.263 -1.245
242 HE22 GLN 70 2HE2 GLN 70 12.805 -1.835 -1.953
243 H LYS 71 HN LYS 71 8.621 2.159 0.886
244 HA LYS 71 HA LYS 71 11.276 1.956 2.088
245 HB2 LYS 71 3HB LYS 71 10.258 4.173 1.410
246 HB3 LYS 71 2HB LYS 71 9.107 3.952 2.738
247 HG2 LYS 71 3HG LYS 71 10.827 4.044 4.377
248 HG3 LYS 71 2HG LYS 71 12.087 3.961 3.133
249 HD2 LYS 71 3HD LYS 71 11.472 6.141 2.281
250 HD3 LYS 71 2HD LYS 71 10.102 6.217 3.402
251 HE2 LYS 71 3HE LYS 71 11.833 7.545 4.358
252 HE3 LYS 71 2HE LYS 71 11.757 6.039 5.287
253 HZ1 LYS 71 3HZ LYS 71 13.722 5.276 4.386
254 HZ2 LYS 71 1HZ LYS 71 14.034 6.933 4.530
255 HZ3 LYS 71 2HZ LYS 71 13.629 6.276 3.025
256 H LEU 72 HN LEU 72 7.856 1.845 3.036
257 HA LEU 72 HA LEU 72 8.360 1.244 5.763
258 HB2 LEU 72 3HB LEU 72 5.998 1.239 3.955
259 HB3 LEU 72 2HB LEU 72 5.891 0.296 5.451
260 HG LEU 72 HG LEU 72 6.220 2.262 6.790
261 HD11 LEU 72 1HD1 LEU 72 7.078 3.424 4.216
262 HD12 LEU 72 2HD1 LEU 72 7.656 3.731 5.854
263 HD13 LEU 72 3HD1 LEU 72 6.163 4.483 5.292
264 HD21 LEU 72 3HD2 LEU 72 4.128 2.250 4.694
265 HD22 LEU 72 1HD2 LEU 72 4.308 3.723 5.646
266 HD23 LEU 72 2HD2 LEU 72 3.978 2.189 6.451
267 H GLY 73 HN GLY 73 7.141 -0.827 3.118
268 HA2 GLY 73 2HA GLY 73 8.044 -3.002 2.681
269 HA3 GLY 73 3HA GLY 73 8.558 -3.086 4.360
270 H VAL 74 HN VAL 74 7.561 -4.937 4.981
271 HA VAL 74 HA VAL 74 4.689 -5.222 4.483
272 HB VAL 74 HB VAL 74 6.607 -7.222 5.687
273 HG11 VAL 74 1HG1 VAL 74 4.394 -7.730 6.385
274 HG12 VAL 74 2HG1 VAL 74 3.745 -7.426 4.772
275 HG13 VAL 74 3HG1 VAL 74 4.775 -8.830 5.060
276 HG21 VAL 74 3HG2 VAL 74 5.935 -8.235 3.269
277 HG22 VAL 74 1HG2 VAL 74 5.969 -6.511 2.904
278 HG23 VAL 74 2HG2 VAL 74 7.397 -7.297 3.577
279 H GLN 75 HN GLN 75 6.948 -4.504 6.989
280 HA GLN 75 HA GLN 75 5.380 -5.228 9.228
281 HB2 GLN 75 3HB GLN 75 7.631 -3.251 8.856
282 HB3 GLN 75 2HB GLN 75 6.863 -3.539 10.426
283 HG2 GLN 75 3HG GLN 75 7.434 -5.986 10.124
284 HG3 GLN 75 2HG GLN 75 8.443 -5.475 8.764
285 HE21 GLN 75 1HE2 GLN 75 9.840 -3.454 9.420
286 HE22 GLN 75 2HE2 GLN 75 10.736 -3.661 10.883
287 H ALA 76 HN ALA 76 5.131 -2.671 6.983
288 HA ALA 76 HA ALA 76 4.085 -0.571 8.433
289 HB1 ALA 76 1HB ALA 76 4.049 -1.435 5.672
290 HB2 ALA 76 2HB ALA 76 2.553 -0.614 6.120
291 HB3 ALA 76 3HB ALA 76 4.104 0.195 6.344
292 H ASP 77 HN ASP 77 1.729 0.151 8.359
293 HA ASP 77 HA ASP 77 -0.119 -2.084 8.799
294 HB2 ASP 77 3HB ASP 77 -0.205 0.261 10.669
295 HB3 ASP 77 2HB ASP 77 -0.783 -1.393 10.914
296 HD2 ASP 77 HD ASP 77 2.771 -0.512 12.165
297 H THR 78 HN THR 78 -2.424 -1.204 9.088
298 HA THR 78 HA THR 78 -3.213 0.104 6.777
299 HB THR 78 HB THR 78 -4.806 0.193 9.337
300 HG1 THR 78 1HG THR 78 -4.504 -1.926 9.244
301 HG21 THR 78 3HG2 THR 78 -5.762 1.436 7.483
302 HG22 THR 78 1HG2 THR 78 -6.712 -0.022 7.776
303 HG23 THR 78 2HG2 THR 78 -5.583 0.039 6.421
304 H ASN 79 HN ASN 79 -2.643 1.431 10.009
305 HA ASN 79 HA ASN 79 -3.472 4.075 9.350
306 HB2 ASN 79 3HB ASN 79 -3.386 3.119 11.672
307 HB3 ASN 79 2HB ASN 79 -1.623 3.228 11.589
308 HD21 ASN 79 1HD2 ASN 79 -4.557 5.173 11.309
309 HD22 ASN 79 2HD2 ASN 79 -3.862 6.630 11.925
310 H THR 80 HN THR 80 -0.292 2.521 9.666
311 HA THR 80 HA THR 80 1.347 4.690 9.198
312 HB THR 80 HB THR 80 2.010 2.062 7.921
313 HG1 THR 80 1HG THR 80 2.415 1.176 9.929
314 HG21 THR 80 3HG2 THR 80 4.208 2.608 8.415
315 HG22 THR 80 1HG2 THR 80 3.753 3.678 9.740
316 HG23 THR 80 2HG2 THR 80 3.508 4.189 8.070
317 H VAL 81 HN VAL 81 0.088 2.425 6.746
318 HA VAL 81 HA VAL 81 1.125 3.613 4.483
319 HB VAL 81 HB VAL 81 -1.621 2.369 4.673
320 HG11 VAL 81 1HG1 VAL 81 -1.014 1.680 2.297
321 HG12 VAL 81 2HG1 VAL 81 -1.412 3.380 2.560
322 HG13 VAL 81 3HG1 VAL 81 0.273 2.882 2.398
323 HG21 VAL 81 3HG2 VAL 81 0.232 0.511 3.683
324 HG22 VAL 81 1HG2 VAL 81 0.975 1.225 5.115
325 HG23 VAL 81 2HG2 VAL 81 -0.613 0.467 5.230
326 H LEU 82 HN LEU 82 -2.153 4.165 5.787
327 HA LEU 82 HA LEU 82 -2.924 6.195 4.084
328 HB2 LEU 82 3HB LEU 82 -3.598 5.887 7.015
329 HB3 LEU 82 2HB LEU 82 -4.477 6.896 5.855
330 HG LEU 82 HG LEU 82 -4.220 3.974 5.310
331 HD11 LEU 82 1HD1 LEU 82 -5.891 3.336 6.767
332 HD12 LEU 82 2HD1 LEU 82 -6.472 4.985 6.993
333 HD13 LEU 82 3HD1 LEU 82 -4.964 4.471 7.750
334 HD21 LEU 82 3HD2 LEU 82 -6.121 4.280 4.026
335 HD22 LEU 82 1HD2 LEU 82 -5.269 5.809 3.805
336 HD23 LEU 82 2HD2 LEU 82 -6.627 5.710 4.927
337 H GLY 83 HN GLY 83 -1.284 6.501 7.230
338 HA2 GLY 83 2HA GLY 83 -1.145 9.256 7.409
339 HA3 GLY 83 3HA GLY 83 0.069 8.163 8.057
340 H GLU 84 HN GLU 84 1.191 7.088 5.823
341 HA GLU 84 HA GLU 84 3.070 8.958 5.053
342 HB2 GLU 84 3HB GLU 84 2.128 6.481 3.592
343 HB3 GLU 84 2HB GLU 84 3.576 7.402 3.155
344 HG2 GLU 84 3HG GLU 84 3.151 6.171 5.873
345 HG3 GLU 84 2HG GLU 84 3.980 5.356 4.539
346 HE2 GLU 84 HE GLU 84 6.851 7.221 4.979
347 H LEU 85 HN LEU 85 0.053 8.065 3.438
348 HA LEU 85 HA LEU 85 0.500 9.807 1.203
349 HB2 LEU 85 3HB LEU 85 -2.129 8.630 2.096
350 HB3 LEU 85 2HB LEU 85 -1.674 9.176 0.473
351 HG LEU 85 HG LEU 85 -0.347 6.834 1.819
352 HD11 LEU 85 1HD1 LEU 85 -2.320 6.294 -0.281
353 HD12 LEU 85 2HD1 LEU 85 -2.999 6.864 1.243
354 HD13 LEU 85 3HD1 LEU 85 -1.981 5.424 1.215
355 HD21 LEU 85 3HD2 LEU 85 -0.057 8.238 -0.700
356 HD22 LEU 85 1HD2 LEU 85 -0.380 6.520 -0.932
357 HD23 LEU 85 2HD2 LEU 85 0.991 7.033 0.050
358 H VAL 86 HN VAL 86 -1.123 10.026 4.293
359 HA VAL 86 HA VAL 86 -2.611 12.381 3.761
360 HB VAL 86 HB VAL 86 -1.627 11.303 6.407
361 HG11 VAL 86 1HG1 VAL 86 -3.687 13.402 5.751
362 HG12 VAL 86 2HG1 VAL 86 -3.512 12.649 7.337
363 HG13 VAL 86 3HG1 VAL 86 -2.195 13.613 6.667
364 HG21 VAL 86 3HG2 VAL 86 -4.436 10.994 5.943
365 HG22 VAL 86 1HG2 VAL 86 -3.532 10.278 4.608
366 HG23 VAL 86 2HG2 VAL 86 -3.218 9.759 6.264
367 H LYS 87 HN LYS 87 0.699 11.789 4.586
368 HA LYS 87 HA LYS 87 1.143 14.638 5.137
369 HB2 LYS 87 3HB LYS 87 2.568 12.122 5.842
370 HB3 LYS 87 2HB LYS 87 3.550 13.577 5.609
371 HG2 LYS 87 3HG LYS 87 1.717 14.627 7.219
372 HG3 LYS 87 2HG LYS 87 1.585 12.935 7.732
373 HD2 LYS 87 3HD LYS 87 4.207 14.428 7.569
374 HD3 LYS 87 2HD LYS 87 3.224 14.321 9.039
375 HE2 LYS 87 3HE LYS 87 3.892 11.780 7.629
376 HE3 LYS 87 2HE LYS 87 5.178 12.600 8.525
377 HZ1 LYS 87 3HZ LYS 87 2.601 11.594 9.586
378 HZ2 LYS 87 1HZ LYS 87 3.608 12.635 10.462
379 HZ3 LYS 87 2HZ LYS 87 4.163 11.102 10.013
380 H HIS 88 HN HIS 88 1.770 12.119 2.840
381 HA HIS 88 HA HIS 88 3.451 13.964 1.276
382 HB2 HIS 88 3HB HIS 88 4.443 11.740 2.021
383 HB3 HIS 88 2HB HIS 88 3.307 10.972 0.909
384 HD1 HIS 88 1HD HIS 88 5.350 14.098 0.246
385 HD2 HIS 88 2HD HIS 88 4.967 10.188 -1.104
386 HE1 HIS 88 1HE HIS 88 6.849 13.931 -1.765
387 HE2 HIS 88 2HE HIS 88 6.616 11.542 -2.592
388 H GLY 89 HN GLY 89 0.912 14.590 1.030
389 HA2 GLY 89 2HA GLY 89 -0.288 13.093 -1.170
390 HA3 GLY 89 3HA GLY 89 -1.036 14.408 -0.277
Start of MODEL 10
1 H1 GLY 41 HN GLY 41 -6.409 -14.452 4.461
2 HA2 GLY 41 2HA GLY 41 -6.982 -16.232 6.076
3 HA3 GLY 41 3HA GLY 41 -8.351 -16.604 5.040
4 HA PRO 42 HA PRO 42 -6.013 -19.487 2.718
5 HB2 PRO 42 3HB PRO 42 -6.668 -18.945 0.112
6 HB3 PRO 42 2HB PRO 42 -7.784 -19.677 1.266
7 HG2 PRO 42 3HG PRO 42 -7.523 -16.809 0.427
8 HG3 PRO 42 2HG PRO 42 -9.011 -17.809 0.619
9 HD2 PRO 42 3HD PRO 42 -8.204 -16.010 2.485
10 HD3 PRO 42 2HD PRO 42 -9.026 -17.522 2.906
11 H HIS 43 HN HIS 43 -4.191 -19.828 1.351
12 HA HIS 43 HA HIS 43 -2.512 -17.442 1.078
13 HB2 HIS 43 3HB HIS 43 -1.817 -20.389 1.032
14 HB3 HIS 43 2HB HIS 43 -0.647 -19.081 0.833
15 HD1 HIS 43 1HD HIS 43 -1.582 -17.190 3.078
16 HD2 HIS 43 2HD HIS 43 -1.119 -21.295 3.519
17 HE1 HIS 43 1HE HIS 43 -1.244 -17.567 5.541
18 HE2 HIS 43 2HE HIS 43 -0.961 -20.076 5.812
19 H MET 44 HN MET 44 -4.371 -17.403 -0.827
20 HA MET 44 HA MET 44 -3.111 -18.528 -3.234
21 HB2 MET 44 3HB MET 44 -5.606 -18.944 -2.563
22 HB3 MET 44 2HB MET 44 -5.853 -17.320 -3.220
23 HG2 MET 44 3HG MET 44 -4.462 -19.457 -4.810
24 HG3 MET 44 2HG MET 44 -6.222 -19.321 -4.768
25 HE1 MET 44 3HE MET 44 -3.852 -17.563 -7.875
26 HE2 MET 44 1HE MET 44 -2.927 -17.852 -6.401
27 HE3 MET 44 2HE MET 44 -3.933 -19.133 -7.076
28 H THR 45 HN THR 45 -4.782 -15.585 -2.117
29 HA THR 45 HA THR 45 -3.750 -14.031 -4.311
30 HB THR 45 HB THR 45 -5.222 -13.133 -1.826
31 HG1 THR 45 1HG THR 45 -6.784 -14.113 -2.895
32 HG21 THR 45 3HG2 THR 45 -4.623 -11.676 -4.403
33 HG22 THR 45 1HG2 THR 45 -3.956 -11.304 -2.814
34 HG23 THR 45 2HG2 THR 45 -5.679 -11.083 -3.121
35 H SER 46 HN SER 46 -2.165 -12.474 -4.260
36 HA SER 46 HA SER 46 -0.141 -12.802 -2.244
37 HB2 SER 46 1HB SER 46 -0.376 -11.343 -4.843
38 HB3 SER 46 2HB SER 46 0.858 -10.803 -3.691
39 HG SER 46 HG SER 46 0.849 -12.993 -5.279
40 H GLU 47 HN GLU 47 -0.562 -11.917 -0.309
41 HA GLU 47 HA GLU 47 -2.162 -9.740 0.263
42 HB2 GLU 47 3HB GLU 47 0.283 -10.745 1.734
43 HB3 GLU 47 2HB GLU 47 -0.866 -9.572 2.394
44 HG2 GLU 47 3HG GLU 47 -1.590 -12.369 1.524
45 HG3 GLU 47 2HG GLU 47 -1.229 -11.887 3.188
46 HE2 GLU 47 HE GLU 47 -4.819 -11.268 1.826
47 H LEU 48 HN LEU 48 1.272 -9.816 -0.547
48 HA LEU 48 HA LEU 48 1.841 -7.112 -0.015
49 HB2 LEU 48 3HB LEU 48 3.766 -7.443 -1.564
50 HB3 LEU 48 2HB LEU 48 3.635 -8.651 -0.273
51 HG LEU 48 HG LEU 48 2.367 -9.995 -2.190
52 HD11 LEU 48 1HD1 LEU 48 2.945 -7.853 -3.656
53 HD12 LEU 48 2HD1 LEU 48 2.908 -9.481 -4.332
54 HD13 LEU 48 3HD1 LEU 48 4.448 -8.746 -3.888
55 HD21 LEU 48 3HD2 LEU 48 5.351 -9.915 -2.336
56 HD22 LEU 48 1HD2 LEU 48 4.261 -11.303 -2.356
57 HD23 LEU 48 2HD2 LEU 48 4.554 -10.432 -0.849
58 H GLN 49 HN GLN 49 0.432 -8.723 -2.784
59 HA GLN 49 HA GLN 49 0.634 -6.454 -4.527
60 HB2 GLN 49 3HB GLN 49 -0.576 -9.170 -4.647
61 HB3 GLN 49 2HB GLN 49 -1.243 -7.937 -5.729
62 HG2 GLN 49 3HG GLN 49 1.713 -8.410 -5.596
63 HG3 GLN 49 2HG GLN 49 0.665 -9.447 -6.573
64 HE21 GLN 49 1HE2 GLN 49 2.072 -6.312 -6.231
65 HE22 GLN 49 2HE2 GLN 49 1.606 -5.700 -7.779
66 H MET 50 HN MET 50 -1.978 -7.958 -2.648
67 HA MET 50 HA MET 50 -4.039 -6.239 -3.431
68 HB2 MET 50 3HB MET 50 -4.191 -8.420 -2.111
69 HB3 MET 50 2HB MET 50 -3.808 -7.450 -0.681
70 HG2 MET 50 3HG MET 50 -5.798 -5.992 -1.305
71 HG3 MET 50 2HG MET 50 -6.226 -7.269 -2.447
72 HE1 MET 50 3HE MET 50 -6.492 -9.768 -1.761
73 HE2 MET 50 1HE MET 50 -5.189 -9.902 -0.579
74 HE3 MET 50 2HE MET 50 -6.838 -10.336 -0.127
75 H LYS 51 HN LYS 51 -1.599 -5.931 -0.912
76 HA LYS 51 HA LYS 51 -2.595 -3.794 0.529
77 HB2 LYS 51 3HB LYS 51 0.109 -4.868 -0.055
78 HB3 LYS 51 2HB LYS 51 0.036 -3.215 0.572
79 HG2 LYS 51 3HG LYS 51 -1.576 -4.328 2.351
80 HG3 LYS 51 2HG LYS 51 -0.659 -5.776 1.899
81 HD2 LYS 51 3HD LYS 51 1.426 -4.733 2.489
82 HD3 LYS 51 2HD LYS 51 0.615 -3.180 2.754
83 HE2 LYS 51 3HE LYS 51 -0.537 -4.000 4.678
84 HE3 LYS 51 2HE LYS 51 -0.047 -5.662 4.323
85 HZ1 LYS 51 3HZ LYS 51 1.868 -3.495 4.981
86 HZ2 LYS 51 1HZ LYS 51 2.204 -5.147 4.842
87 HZ3 LYS 51 2HZ LYS 51 1.248 -4.582 6.118
88 H VAL 52 HN VAL 52 -0.757 -3.756 -2.496
89 HA VAL 52 HA VAL 52 -0.852 -0.863 -2.646
90 HB VAL 52 HB VAL 52 0.084 -2.788 -4.773
91 HG11 VAL 52 1HG1 VAL 52 -0.325 -0.048 -4.847
92 HG12 VAL 52 2HG1 VAL 52 1.411 -0.220 -4.585
93 HG13 VAL 52 3HG1 VAL 52 0.647 -0.997 -5.972
94 HG21 VAL 52 3HG2 VAL 52 2.363 -1.838 -3.682
95 HG22 VAL 52 1HG2 VAL 52 1.338 -1.929 -2.249
96 HG23 VAL 52 2HG2 VAL 52 1.621 -3.371 -3.226
97 H ASP 53 HN ASP 53 -2.140 -3.600 -4.522
98 HA ASP 53 HA ASP 53 -3.556 -2.210 -6.440
99 HB2 ASP 53 3HB ASP 53 -3.215 -4.745 -6.175
100 HB3 ASP 53 2HB ASP 53 -4.649 -4.698 -5.141
101 HD2 ASP 53 HD ASP 53 -5.123 -4.256 -9.039
102 H PHE 54 HN PHE 54 -4.319 -2.710 -3.076
103 HA PHE 54 HA PHE 54 -7.055 -2.079 -3.135
104 HB2 PHE 54 3HB PHE 54 -5.839 -3.098 -1.202
105 HB3 PHE 54 2HB PHE 54 -5.103 -1.524 -0.893
106 HD1 PHE 54 1HD PHE 54 -6.591 0.439 -0.342
107 HD2 PHE 54 2HD PHE 54 -7.980 -3.585 -0.365
108 HE1 PHE 54 1HE PHE 54 -8.520 1.101 1.035
109 HE2 PHE 54 2HE PHE 54 -9.912 -2.929 1.011
110 HZ PHE 54 HZ PHE 54 -10.185 -0.584 1.712
111 H PHE 55 HN PHE 55 -4.502 0.051 -1.859
112 HA PHE 55 HA PHE 55 -6.013 2.393 -1.972
113 HB2 PHE 55 3HB PHE 55 -3.064 1.827 -1.862
114 HB3 PHE 55 2HB PHE 55 -3.637 3.485 -2.052
115 HD1 PHE 55 2HD PHE 55 -5.209 4.441 -0.320
116 HD2 PHE 55 1HD PHE 55 -3.053 0.817 0.257
117 HE1 PHE 55 2HE PHE 55 -5.556 4.626 2.109
118 HE2 PHE 55 1HE PHE 55 -3.398 0.995 2.687
119 HZ PHE 55 HZ PHE 55 -4.649 2.901 3.616
120 H ARG 56 HN ARG 56 -4.351 0.678 -4.456
121 HA ARG 56 HA ARG 56 -3.899 2.760 -6.288
122 HB2 ARG 56 3HB ARG 56 -4.255 -0.210 -6.536
123 HB3 ARG 56 2HB ARG 56 -4.140 0.795 -7.987
124 HG2 ARG 56 3HG ARG 56 -2.050 1.275 -5.967
125 HG3 ARG 56 2HG ARG 56 -2.022 -0.317 -6.745
126 HD2 ARG 56 3HD ARG 56 -2.021 2.358 -8.163
127 HD3 ARG 56 2HD ARG 56 -0.634 1.278 -7.962
128 HE ARG 56 HE ARG 56 -2.785 1.002 -9.854
129 HH11 ARG 56 1HH1 ARG 56 -0.259 -0.644 -8.112
130 HH12 ARG 56 2HH1 ARG 56 -0.135 -1.939 -9.258
131 HH21 ARG 56 1HH2 ARG 56 -2.630 -0.696 -11.369
132 HH22 ARG 56 2HH2 ARG 56 -1.482 -1.966 -11.110
133 H LYS 57 HN LYS 57 -6.774 1.064 -5.372
134 HA LYS 57 HA LYS 57 -8.261 2.079 -7.671
135 HB2 LYS 57 3HB LYS 57 -9.934 0.566 -7.162
136 HB3 LYS 57 2HB LYS 57 -8.485 -0.296 -6.619
137 HG2 LYS 57 3HG LYS 57 -9.129 1.004 -4.345
138 HG3 LYS 57 2HG LYS 57 -10.734 0.785 -5.061
139 HD2 LYS 57 3HD LYS 57 -10.195 -1.646 -5.361
140 HD3 LYS 57 2HD LYS 57 -8.709 -1.361 -4.436
141 HE2 LYS 57 3HE LYS 57 -9.818 -1.074 -2.450
142 HE3 LYS 57 2HE LYS 57 -11.270 -0.446 -3.243
143 HZ1 LYS 57 3HZ LYS 57 -10.836 -3.142 -3.991
144 HZ2 LYS 57 1HZ LYS 57 -12.173 -2.453 -3.217
145 HZ3 LYS 57 2HZ LYS 57 -10.862 -3.010 -2.305
146 H LEU 58 HN LEU 58 -7.669 2.783 -4.357
147 HA LEU 58 HA LEU 58 -10.009 4.165 -3.678
148 HB2 LEU 58 3HB LEU 58 -7.213 4.078 -2.706
149 HB3 LEU 58 2HB LEU 58 -8.160 5.507 -2.264
150 HG LEU 58 HG LEU 58 -8.189 3.788 -0.513
151 HD11 LEU 58 1HD1 LEU 58 -10.268 5.283 -1.400
152 HD12 LEU 58 2HD1 LEU 58 -10.296 4.300 0.064
153 HD13 LEU 58 3HD1 LEU 58 -10.971 3.666 -1.436
154 HD21 LEU 58 3HD2 LEU 58 -9.524 1.719 -0.942
155 HD22 LEU 58 1HD2 LEU 58 -7.975 1.781 -1.785
156 HD23 LEU 58 2HD2 LEU 58 -9.470 2.109 -2.662
157 H GLY 59 HN GLY 59 -7.454 4.984 -5.818
158 HA2 GLY 59 2HA GLY 59 -7.970 6.770 -7.419
159 HA3 GLY 59 3HA GLY 59 -8.570 7.709 -6.059
160 H TYR 60 HN TYR 60 -5.705 5.853 -5.593
161 HA TYR 60 HA TYR 60 -4.167 8.337 -5.413
162 HB2 TYR 60 3HB TYR 60 -3.838 5.584 -4.249
163 HB3 TYR 60 2HB TYR 60 -2.468 6.695 -4.317
164 HD1 TYR 60 2HD TYR 60 -2.876 9.084 -3.324
165 HD2 TYR 60 1HD TYR 60 -5.238 5.671 -2.386
166 HE1 TYR 60 2HE TYR 60 -3.616 10.174 -1.247
167 HE2 TYR 60 1HE TYR 60 -5.986 6.753 -0.308
168 HH TYR 60 HH TYR 60 -5.586 10.018 0.312
169 H SER 61 HN SER 61 -1.658 7.737 -5.813
170 HA SER 61 HA SER 61 -1.571 6.863 -8.613
171 HB2 SER 61 1HB SER 61 -0.674 9.173 -7.630
172 HB3 SER 61 2HB SER 61 0.766 8.187 -7.315
173 HG SER 61 HG SER 61 1.154 8.059 -9.392
174 H SER 62 HN SER 62 -0.335 5.190 -9.286
175 HA SER 62 HA SER 62 0.365 3.148 -7.539
176 HB2 SER 62 1HB SER 62 0.010 2.689 -9.885
177 HB3 SER 62 2HB SER 62 1.373 3.730 -10.332
178 HG SER 62 HG SER 62 2.586 2.041 -10.117
179 H SER 63 HN SER 63 2.381 5.693 -8.947
180 HA SER 63 HA SER 63 4.849 4.787 -7.955
181 HB2 SER 63 1HB SER 63 3.828 7.492 -8.819
182 HB3 SER 63 2HB SER 63 5.469 7.289 -8.181
183 HG SER 63 HG SER 63 4.439 6.561 -10.615
184 H GLU 64 HN GLU 64 2.223 6.465 -6.446
185 HA GLU 64 HA GLU 64 3.758 7.399 -4.197
186 HB2 GLU 64 3HB GLU 64 0.773 7.226 -4.668
187 HB3 GLU 64 2HB GLU 64 1.523 7.976 -3.250
188 HG2 GLU 64 3HG GLU 64 2.422 8.932 -5.909
189 HG3 GLU 64 2HG GLU 64 0.782 9.361 -5.398
190 HE2 GLU 64 HE GLU 64 1.981 11.431 -2.848
191 H ILE 65 HN ILE 65 1.181 4.967 -4.600
192 HA ILE 65 HA ILE 65 1.379 3.894 -2.013
193 HB ILE 65 HB ILE 65 0.440 2.531 -4.539
194 HG12 ILE 65 1HG1 ILE 65 -1.308 3.705 -2.393
195 HG13 ILE 65 2HG1 ILE 65 -0.675 4.727 -3.695
196 HG21 ILE 65 1HG2 ILE 65 0.112 1.808 -1.635
197 HG22 ILE 65 2HG2 ILE 65 -0.857 1.110 -2.932
198 HG23 ILE 65 3HG2 ILE 65 0.889 0.861 -2.903
199 HD11 ILE 65 3HD1 ILE 65 -2.236 2.217 -4.221
200 HD12 ILE 65 1HD1 ILE 65 -2.982 3.806 -4.059
201 HD13 ILE 65 2HD1 ILE 65 -1.824 3.503 -5.354
202 H HIS 66 HN HIS 66 3.036 3.097 -5.018
203 HA HIS 66 HA HIS 66 4.311 0.751 -4.014
204 HB2 HIS 66 3HB HIS 66 3.886 1.488 -6.474
205 HB3 HIS 66 2HB HIS 66 5.394 2.391 -6.287
206 HD1 HIS 66 1HD HIS 66 7.557 1.119 -6.461
207 HD2 HIS 66 2HD HIS 66 4.241 -1.374 -6.240
208 HE1 HIS 66 1HE HIS 66 8.423 -1.194 -6.933
209 HE2 HIS 66 2HE HIS 66 6.397 -2.719 -6.798
210 H SER 67 HN SER 67 4.982 4.140 -3.862
211 HA SER 67 HA SER 67 7.775 3.900 -3.287
212 HB2 SER 67 1HB SER 67 5.754 6.101 -3.273
213 HB3 SER 67 2HB SER 67 7.244 6.334 -2.343
214 HG SER 67 HG SER 67 6.923 6.633 -4.935
215 H VAL 68 HN VAL 68 5.043 4.942 -1.239
216 HA VAL 68 HA VAL 68 6.345 4.918 1.194
217 HB VAL 68 HB VAL 68 4.131 4.580 2.240
218 HG11 VAL 68 1HG1 VAL 68 4.779 6.807 1.540
219 HG12 VAL 68 2HG1 VAL 68 4.169 6.499 -0.087
220 HG13 VAL 68 3HG1 VAL 68 3.052 6.573 1.276
221 HG21 VAL 68 3HG2 VAL 68 3.518 3.535 -0.418
222 HG22 VAL 68 1HG2 VAL 68 2.728 3.235 1.129
223 HG23 VAL 68 2HG2 VAL 68 2.314 4.670 0.192
224 H LEU 69 HN LEU 69 4.962 2.238 -0.603
225 HA LEU 69 HA LEU 69 5.268 0.345 1.536
226 HB2 LEU 69 3HB LEU 69 4.363 0.299 -1.287
227 HB3 LEU 69 2HB LEU 69 5.017 -1.213 -0.635
228 HG LEU 69 HG LEU 69 2.533 -1.012 -0.514
229 HD11 LEU 69 1HD1 LEU 69 2.666 -1.393 2.162
230 HD12 LEU 69 2HD1 LEU 69 4.352 -1.634 1.706
231 HD13 LEU 69 3HD1 LEU 69 3.089 -2.613 0.960
232 HD21 LEU 69 3HD2 LEU 69 1.598 0.413 1.266
233 HD22 LEU 69 1HD2 LEU 69 2.341 1.348 -0.032
234 HD23 LEU 69 2HD2 LEU 69 3.191 1.136 1.499
235 H GLN 70 HN GLN 70 7.159 1.402 -1.210
236 HA GLN 70 HA GLN 70 9.005 -0.723 -1.281
237 HB2 GLN 70 3HB GLN 70 8.883 0.748 -3.154
238 HB3 GLN 70 2HB GLN 70 9.216 2.161 -2.140
239 HG2 GLN 70 3HG GLN 70 11.175 1.615 -3.425
240 HG3 GLN 70 2HG GLN 70 11.477 1.305 -1.710
241 HE21 GLN 70 1HE2 GLN 70 13.094 -0.169 -2.037
242 HE22 GLN 70 2HE2 GLN 70 12.824 -1.739 -2.704
243 H LYS 71 HN LYS 71 8.686 2.031 0.799
244 HA LYS 71 HA LYS 71 11.346 1.585 1.944
245 HB2 LYS 71 3HB LYS 71 9.334 3.769 2.538
246 HB3 LYS 71 2HB LYS 71 11.001 3.689 3.130
247 HG2 LYS 71 3HG LYS 71 10.234 3.887 0.216
248 HG3 LYS 71 2HG LYS 71 10.684 5.261 1.243
249 HD2 LYS 71 3HD LYS 71 12.498 2.877 0.944
250 HD3 LYS 71 2HD LYS 71 12.506 4.201 -0.233
251 HE2 LYS 71 3HE LYS 71 13.065 5.809 1.484
252 HE3 LYS 71 2HE LYS 71 12.902 4.566 2.734
253 HZ1 LYS 71 3HZ LYS 71 14.800 3.428 1.900
254 HZ2 LYS 71 1HZ LYS 71 15.229 5.055 2.068
255 HZ3 LYS 71 2HZ LYS 71 14.890 4.425 0.536
256 H LEU 72 HN LEU 72 7.922 1.616 2.820
257 HA LEU 72 HA LEU 72 8.311 1.014 5.563
258 HB2 LEU 72 3HB LEU 72 5.985 0.861 3.673
259 HB3 LEU 72 2HB LEU 72 5.863 0.182 5.307
260 HG LEU 72 HG LEU 72 6.770 3.003 5.026
261 HD11 LEU 72 1HD1 LEU 72 4.487 2.200 3.708
262 HD12 LEU 72 2HD1 LEU 72 4.855 3.837 4.254
263 HD13 LEU 72 3HD1 LEU 72 3.885 2.765 5.266
264 HD21 LEU 72 3HD2 LEU 72 5.827 3.250 7.156
265 HD22 LEU 72 1HD2 LEU 72 6.581 1.655 7.188
266 HD23 LEU 72 2HD2 LEU 72 4.834 1.801 6.982
267 H GLY 73 HN GLY 73 7.170 -1.055 2.881
268 HA2 GLY 73 2HA GLY 73 7.943 -3.251 2.463
269 HA3 GLY 73 3HA GLY 73 8.588 -3.310 4.096
270 H VAL 74 HN VAL 74 7.630 -5.019 5.012
271 HA VAL 74 HA VAL 74 4.759 -5.434 4.618
272 HB VAL 74 HB VAL 74 6.751 -7.236 6.000
273 HG11 VAL 74 1HG1 VAL 74 4.834 -8.900 5.327
274 HG12 VAL 74 2HG1 VAL 74 4.724 -7.947 6.808
275 HG13 VAL 74 3HG1 VAL 74 3.847 -7.440 5.365
276 HG21 VAL 74 3HG2 VAL 74 7.474 -7.837 3.987
277 HG22 VAL 74 1HG2 VAL 74 5.839 -8.353 3.574
278 HG23 VAL 74 2HG2 VAL 74 6.360 -6.706 3.221
279 H GLN 75 HN GLN 75 7.016 -4.301 6.943
280 HA GLN 75 HA GLN 75 5.565 -4.845 9.307
281 HB2 GLN 75 3HB GLN 75 7.602 -2.699 8.669
282 HB3 GLN 75 2HB GLN 75 6.974 -3.023 10.293
283 HG2 GLN 75 3HG GLN 75 7.790 -5.439 9.901
284 HG3 GLN 75 2HG GLN 75 8.744 -4.730 8.592
285 HE21 GLN 75 1HE2 GLN 75 10.763 -4.547 9.235
286 HE22 GLN 75 2HE2 GLN 75 11.297 -3.942 10.763
287 H ALA 76 HN ALA 76 5.185 -2.501 6.815
288 HA ALA 76 HA ALA 76 3.966 -0.379 8.089
289 HB1 ALA 76 1HB ALA 76 2.599 -1.047 5.622
290 HB2 ALA 76 2HB ALA 76 3.614 0.341 6.011
291 HB3 ALA 76 3HB ALA 76 4.351 -1.165 5.463
292 H ASP 77 HN ASP 77 1.574 0.180 7.913
293 HA ASP 77 HA ASP 77 -0.175 -2.116 8.377
294 HB2 ASP 77 3HB ASP 77 -0.351 0.193 10.284
295 HB3 ASP 77 2HB ASP 77 -0.879 -1.482 10.497
296 HD2 ASP 77 HD ASP 77 2.292 -2.505 11.517
297 H THR 78 HN THR 78 -2.471 -1.532 8.361
298 HA THR 78 HA THR 78 -3.209 -0.033 6.168
299 HB THR 78 HB THR 78 -4.959 -0.486 8.590
300 HG1 THR 78 1HG THR 78 -4.078 -2.206 6.543
301 HG21 THR 78 3HG2 THR 78 -6.789 -0.438 6.986
302 HG22 THR 78 1HG2 THR 78 -5.650 -0.190 5.663
303 HG23 THR 78 2HG2 THR 78 -5.862 1.059 6.892
304 H ASN 79 HN ASN 79 -2.648 1.009 9.449
305 HA ASN 79 HA ASN 79 -3.860 3.597 9.081
306 HB2 ASN 79 3HB ASN 79 -1.917 2.967 11.285
307 HB3 ASN 79 2HB ASN 79 -3.346 4.006 11.320
308 HD21 ASN 79 1HD2 ASN 79 -5.329 3.151 11.753
309 HD22 ASN 79 2HD2 ASN 79 -5.573 1.512 12.241
310 H THR 80 HN THR 80 -0.522 2.425 9.518
311 HA THR 80 HA THR 80 0.828 4.813 9.233
312 HB THR 80 HB THR 80 1.707 2.101 8.223
313 HG1 THR 80 1HG THR 80 1.312 2.039 10.434
314 HG21 THR 80 3HG2 THR 80 3.935 3.525 9.045
315 HG22 THR 80 1HG2 THR 80 2.976 4.717 8.169
316 HG23 THR 80 2HG2 THR 80 3.453 3.216 7.377
317 H VAL 81 HN VAL 81 -0.187 2.566 6.674
318 HA VAL 81 HA VAL 81 0.927 3.804 4.476
319 HB VAL 81 HB VAL 81 -1.813 2.535 4.546
320 HG11 VAL 81 1HG1 VAL 81 -1.192 1.933 2.178
321 HG12 VAL 81 2HG1 VAL 81 -1.505 3.645 2.472
322 HG13 VAL 81 3HG1 VAL 81 0.154 3.062 2.330
323 HG21 VAL 81 3HG2 VAL 81 0.179 0.768 3.567
324 HG22 VAL 81 1HG2 VAL 81 0.726 1.399 5.120
325 HG23 VAL 81 2HG2 VAL 81 -0.837 0.593 4.998
326 H LEU 82 HN LEU 82 -2.333 4.378 5.806
327 HA LEU 82 HA LEU 82 -3.121 6.394 4.078
328 HB2 LEU 82 3HB LEU 82 -3.771 6.165 7.022
329 HB3 LEU 82 2HB LEU 82 -4.685 7.082 5.811
330 HG LEU 82 HG LEU 82 -4.344 4.149 5.412
331 HD11 LEU 82 1HD1 LEU 82 -6.594 5.162 7.094
332 HD12 LEU 82 2HD1 LEU 82 -5.058 4.725 7.840
333 HD13 LEU 82 3HD1 LEU 82 -5.968 3.522 6.926
334 HD21 LEU 82 3HD2 LEU 82 -5.475 5.856 3.836
335 HD22 LEU 82 1HD2 LEU 82 -6.803 5.802 4.995
336 HD23 LEU 82 2HD2 LEU 82 -6.293 4.329 4.169
337 H GLY 83 HN GLY 83 -1.504 6.732 7.238
338 HA2 GLY 83 2HA GLY 83 -1.327 9.500 7.319
339 HA3 GLY 83 3HA GLY 83 -0.177 8.407 8.075
340 H GLU 84 HN GLU 84 0.903 7.189 5.811
341 HA GLU 84 HA GLU 84 2.932 8.946 5.108
342 HB2 GLU 84 3HB GLU 84 1.906 6.497 3.658
343 HB3 GLU 84 2HB GLU 84 3.414 7.331 3.252
344 HG2 GLU 84 3HG GLU 84 2.989 6.416 6.058
345 HG3 GLU 84 2HG GLU 84 3.409 5.230 4.814
346 HE2 GLU 84 HE GLU 84 6.156 8.040 5.424
347 H LEU 85 HN LEU 85 -0.122 8.266 3.487
348 HA LEU 85 HA LEU 85 0.513 9.948 1.228
349 HB2 LEU 85 3HB LEU 85 -2.201 8.873 1.984
350 HB3 LEU 85 2HB LEU 85 -1.627 9.372 0.386
351 HG LEU 85 HG LEU 85 -0.476 7.003 1.840
352 HD11 LEU 85 1HD1 LEU 85 -2.743 7.029 -0.148
353 HD12 LEU 85 2HD1 LEU 85 -2.879 6.653 1.570
354 HD13 LEU 85 3HD1 LEU 85 -1.951 5.595 0.507
355 HD21 LEU 85 3HD2 LEU 85 0.982 7.220 0.156
356 HD22 LEU 85 1HD2 LEU 85 -0.072 8.314 -0.742
357 HD23 LEU 85 2HD2 LEU 85 -0.313 6.571 -0.852
358 H VAL 86 HN VAL 86 -1.120 10.249 4.283
359 HA VAL 86 HA VAL 86 -2.566 12.628 3.691
360 HB VAL 86 HB VAL 86 -1.670 11.546 6.367
361 HG11 VAL 86 1HG1 VAL 86 -3.786 12.938 7.038
362 HG12 VAL 86 2HG1 VAL 86 -2.214 13.722 6.873
363 HG13 VAL 86 3HG1 VAL 86 -3.401 13.842 5.574
364 HG21 VAL 86 3HG2 VAL 86 -3.316 10.056 6.228
365 HG22 VAL 86 1HG2 VAL 86 -4.479 11.311 5.800
366 HG23 VAL 86 2HG2 VAL 86 -3.530 10.521 4.541
367 H LYS 87 HN LYS 87 0.635 11.957 4.995
368 HA LYS 87 HA LYS 87 1.156 14.818 5.314
369 HB2 LYS 87 3HB LYS 87 2.463 12.307 6.274
370 HB3 LYS 87 2HB LYS 87 3.445 13.772 6.128
371 HG2 LYS 87 3HG LYS 87 1.110 14.574 7.455
372 HG3 LYS 87 2HG LYS 87 1.582 13.027 8.182
373 HD2 LYS 87 3HD LYS 87 3.002 14.225 9.434
374 HD3 LYS 87 2HD LYS 87 3.985 14.341 7.965
375 HE2 LYS 87 3HE LYS 87 1.844 16.325 8.770
376 HE3 LYS 87 2HE LYS 87 3.580 16.533 9.044
377 HZ1 LYS 87 3HZ LYS 87 3.108 17.689 7.081
378 HZ2 LYS 87 1HZ LYS 87 2.143 16.446 6.459
379 HZ3 LYS 87 2HZ LYS 87 3.820 16.247 6.558
380 H HIS 88 HN HIS 88 1.993 12.089 3.315
381 HA HIS 88 HA HIS 88 3.224 11.880 1.412
382 HB2 HIS 88 3HB HIS 88 1.602 13.846 0.898
383 HB3 HIS 88 2HB HIS 88 3.044 14.858 1.041
384 HD1 HIS 88 1HD HIS 88 2.641 15.401 -1.536
385 HD2 HIS 88 2HD HIS 88 3.747 11.492 -0.664
386 HE1 HIS 88 1HE HIS 88 3.387 14.408 -3.724
387 HE2 HIS 88 2HE HIS 88 4.064 12.021 -3.192
388 H GLY 89 HN GLY 89 4.942 11.571 3.219
389 HA2 GLY 89 2HA GLY 89 7.409 11.956 2.590
390 HA3 GLY 89 3HA GLY 89 7.037 13.628 2.985
Start of MODEL 11
1 H1 GLY 41 HN GLY 41 -15.049 -15.541 -12.091
2 HA2 GLY 41 2HA GLY 41 -17.064 -15.398 -9.945
3 HA3 GLY 41 3HA GLY 41 -15.905 -16.718 -9.979
4 HA PRO 42 HA PRO 42 -14.239 -13.130 -7.463
5 HB2 PRO 42 3HB PRO 42 -13.891 -14.540 -5.142
6 HB3 PRO 42 2HB PRO 42 -15.390 -13.715 -5.563
7 HG2 PRO 42 3HG PRO 42 -14.650 -16.603 -5.892
8 HG3 PRO 42 2HG PRO 42 -16.176 -15.882 -5.256
9 HD2 PRO 42 3HD PRO 42 -15.957 -16.856 -7.781
10 HD3 PRO 42 2HD PRO 42 -16.979 -15.467 -7.375
11 H HIS 43 HN HIS 43 -12.141 -12.766 -7.766
12 HA HIS 43 HA HIS 43 -10.310 -15.065 -7.891
13 HB2 HIS 43 3HB HIS 43 -8.784 -13.458 -9.099
14 HB3 HIS 43 2HB HIS 43 -10.276 -13.865 -9.950
15 HD1 HIS 43 1HD HIS 43 -8.878 -11.052 -7.822
16 HD2 HIS 43 2HD HIS 43 -11.773 -11.730 -10.724
17 HE1 HIS 43 1HE HIS 43 -9.791 -8.782 -8.403
18 HE2 HIS 43 2HE HIS 43 -11.561 -9.195 -10.177
19 H MET 44 HN MET 44 -8.202 -14.866 -6.945
20 HA MET 44 HA MET 44 -8.090 -12.911 -4.742
21 HB2 MET 44 3HB MET 44 -7.398 -15.841 -4.792
22 HB3 MET 44 2HB MET 44 -6.687 -14.752 -3.591
23 HG2 MET 44 3HG MET 44 -8.496 -15.589 -2.443
24 HG3 MET 44 2HG MET 44 -9.139 -14.084 -3.103
25 HE1 MET 44 3HE MET 44 -12.143 -15.101 -3.345
26 HE2 MET 44 1HE MET 44 -11.893 -16.766 -2.823
27 HE3 MET 44 2HE MET 44 -11.009 -15.456 -2.040
28 H THR 45 HN THR 45 -5.790 -12.658 -3.893
29 HA THR 45 HA THR 45 -3.685 -13.083 -5.832
30 HB THR 45 HB THR 45 -4.783 -10.984 -6.615
31 HG1 THR 45 1HG THR 45 -2.850 -10.163 -7.090
32 HG21 THR 45 3HG2 THR 45 -5.174 -10.345 -4.059
33 HG22 THR 45 1HG2 THR 45 -5.041 -9.122 -5.322
34 HG23 THR 45 2HG2 THR 45 -3.648 -9.499 -4.309
35 H SER 46 HN SER 46 -1.570 -12.237 -5.019
36 HA SER 46 HA SER 46 -1.036 -13.162 -2.455
37 HB2 SER 46 1HB SER 46 0.673 -11.037 -3.740
38 HB3 SER 46 2HB SER 46 1.172 -12.441 -2.779
39 HG SER 46 HG SER 46 1.011 -13.706 -4.491
40 H GLU 47 HN GLU 47 -0.995 -12.277 -0.462
41 HA GLU 47 HA GLU 47 -2.549 -10.090 0.192
42 HB2 GLU 47 3HB GLU 47 -0.350 -11.544 1.622
43 HB3 GLU 47 2HB GLU 47 -1.067 -10.096 2.347
44 HG2 GLU 47 3HG GLU 47 -2.355 -11.720 3.305
45 HG3 GLU 47 2HG GLU 47 -3.319 -11.331 1.873
46 HE2 GLU 47 HE GLU 47 -2.557 -14.408 0.377
47 H LEU 48 HN LEU 48 0.864 -10.221 -0.611
48 HA LEU 48 HA LEU 48 1.504 -7.578 0.194
49 HB2 LEU 48 3HB LEU 48 3.505 -7.869 -1.252
50 HB3 LEU 48 2HB LEU 48 3.260 -9.169 -0.070
51 HG LEU 48 HG LEU 48 2.064 -10.304 -2.169
52 HD11 LEU 48 1HD1 LEU 48 2.839 -8.081 -3.411
53 HD12 LEU 48 2HD1 LEU 48 2.772 -9.647 -4.219
54 HD13 LEU 48 3HD1 LEU 48 4.311 -9.031 -3.617
55 HD21 LEU 48 3HD2 LEU 48 4.842 -10.290 -1.154
56 HD22 LEU 48 1HD2 LEU 48 4.565 -11.078 -2.707
57 HD23 LEU 48 2HD2 LEU 48 3.682 -11.614 -1.277
58 H GLN 49 HN GLN 49 0.285 -8.985 -2.783
59 HA GLN 49 HA GLN 49 0.626 -6.634 -4.364
60 HB2 GLN 49 3HB GLN 49 -0.724 -9.270 -4.688
61 HB3 GLN 49 2HB GLN 49 -1.237 -7.948 -5.746
62 HG2 GLN 49 3HG GLN 49 1.676 -8.531 -5.464
63 HG3 GLN 49 2HG GLN 49 0.669 -9.578 -6.473
64 HE21 GLN 49 1HE2 GLN 49 2.319 -6.620 -6.251
65 HE22 GLN 49 2HE2 GLN 49 1.850 -5.969 -7.781
66 H MET 50 HN MET 50 -2.045 -8.027 -2.520
67 HA MET 50 HA MET 50 -4.058 -6.262 -3.357
68 HB2 MET 50 3HB MET 50 -4.258 -8.435 -2.001
69 HB3 MET 50 2HB MET 50 -3.910 -7.429 -0.586
70 HG2 MET 50 3HG MET 50 -5.868 -6.045 -1.060
71 HG3 MET 50 2HG MET 50 -6.208 -7.025 -2.487
72 HE1 MET 50 3HE MET 50 -5.389 -10.044 -1.096
73 HE2 MET 50 1HE MET 50 -7.090 -10.497 -0.961
74 HE3 MET 50 2HE MET 50 -6.521 -9.612 -2.378
75 H LYS 51 HN LYS 51 -1.575 -5.978 -0.895
76 HA LYS 51 HA LYS 51 -2.513 -3.830 0.573
77 HB2 LYS 51 3HB LYS 51 0.129 -4.994 -0.034
78 HB3 LYS 51 2HB LYS 51 0.157 -3.300 0.477
79 HG2 LYS 51 3HG LYS 51 -1.347 -4.093 2.428
80 HG3 LYS 51 2HG LYS 51 -0.753 -5.708 1.997
81 HD2 LYS 51 3HD LYS 51 0.977 -3.322 2.690
82 HD3 LYS 51 2HD LYS 51 0.608 -4.685 3.763
83 HE2 LYS 51 3HE LYS 51 1.540 -6.067 1.669
84 HE3 LYS 51 2HE LYS 51 2.414 -4.550 1.415
85 HZ1 LYS 51 3HZ LYS 51 2.456 -6.184 3.895
86 HZ2 LYS 51 1HZ LYS 51 3.256 -4.707 3.689
87 HZ3 LYS 51 2HZ LYS 51 3.709 -6.050 2.766
88 H VAL 52 HN VAL 52 -0.657 -3.791 -2.453
89 HA VAL 52 HA VAL 52 -0.827 -0.900 -2.619
90 HB VAL 52 HB VAL 52 0.238 -2.808 -4.701
91 HG11 VAL 52 1HG1 VAL 52 0.754 -1.007 -5.903
92 HG12 VAL 52 2HG1 VAL 52 -0.249 -0.071 -4.791
93 HG13 VAL 52 3HG1 VAL 52 1.488 -0.210 -4.511
94 HG21 VAL 52 3HG2 VAL 52 2.405 -1.642 -3.448
95 HG22 VAL 52 1HG2 VAL 52 1.321 -2.042 -2.116
96 HG23 VAL 52 2HG2 VAL 52 1.848 -3.301 -3.233
97 H ASP 53 HN ASP 53 -1.990 -3.695 -4.487
98 HA ASP 53 HA ASP 53 -3.375 -2.376 -6.477
99 HB2 ASP 53 3HB ASP 53 -2.991 -4.922 -6.052
100 HB3 ASP 53 2HB ASP 53 -4.538 -4.831 -5.201
101 HD2 ASP 53 HD ASP 53 -6.316 -4.419 -8.156
102 H PHE 54 HN PHE 54 -4.233 -2.828 -3.127
103 HA PHE 54 HA PHE 54 -6.978 -2.245 -3.291
104 HB2 PHE 54 3HB PHE 54 -6.002 -3.233 -1.296
105 HB3 PHE 54 2HB PHE 54 -5.022 -1.790 -1.028
106 HD1 PHE 54 2HD PHE 54 -8.452 -3.118 -0.954
107 HD2 PHE 54 1HD PHE 54 -5.910 0.163 -0.007
108 HE1 PHE 54 2HE PHE 54 -10.244 -2.128 0.410
109 HE2 PHE 54 1HE PHE 54 -7.699 1.158 1.359
110 HZ PHE 54 HZ PHE 54 -9.869 0.014 1.568
111 H PHE 55 HN PHE 55 -4.547 -0.057 -1.888
112 HA PHE 55 HA PHE 55 -6.065 2.256 -2.082
113 HB2 PHE 55 3HB PHE 55 -3.105 1.749 -1.941
114 HB3 PHE 55 2HB PHE 55 -3.718 3.393 -2.122
115 HD1 PHE 55 2HD PHE 55 -5.447 4.211 -0.407
116 HD2 PHE 55 1HD PHE 55 -2.965 0.805 0.183
117 HE1 PHE 55 2HE PHE 55 -5.818 4.365 2.020
118 HE2 PHE 55 1HE PHE 55 -3.333 0.953 2.612
119 HZ PHE 55 HZ PHE 55 -4.759 2.737 3.533
120 H ARG 56 HN ARG 56 -4.255 0.583 -4.513
121 HA ARG 56 HA ARG 56 -3.828 2.642 -6.355
122 HB2 ARG 56 3HB ARG 56 -4.163 -0.333 -6.595
123 HB3 ARG 56 2HB ARG 56 -4.031 0.667 -8.049
124 HG2 ARG 56 3HG ARG 56 -1.971 1.245 -6.055
125 HG3 ARG 56 2HG ARG 56 -1.933 -0.415 -6.676
126 HD2 ARG 56 3HD ARG 56 -1.899 2.118 -8.336
127 HD3 ARG 56 2HD ARG 56 -0.526 1.045 -8.023
128 HE ARG 56 HE ARG 56 -2.660 0.623 -9.907
129 HH11 ARG 56 1HH1 ARG 56 -0.174 -0.888 -7.995
130 HH12 ARG 56 2HH1 ARG 56 -0.052 -2.281 -9.017
131 HH21 ARG 56 1HH2 ARG 56 -2.510 -1.207 -11.261
132 HH22 ARG 56 2HH2 ARG 56 -1.381 -2.462 -10.875
133 H LYS 57 HN LYS 57 -6.706 0.914 -5.494
134 HA LYS 57 HA LYS 57 -8.160 1.928 -7.816
135 HB2 LYS 57 3HB LYS 57 -9.831 0.397 -7.342
136 HB3 LYS 57 2HB LYS 57 -8.380 -0.455 -6.786
137 HG2 LYS 57 3HG LYS 57 -9.072 0.822 -4.511
138 HG3 LYS 57 2HG LYS 57 -10.664 0.591 -5.254
139 HD2 LYS 57 3HD LYS 57 -9.729 -1.862 -5.659
140 HD3 LYS 57 2HD LYS 57 -8.719 -1.432 -4.265
141 HE2 LYS 57 3HE LYS 57 -10.834 -0.759 -3.059
142 HE3 LYS 57 2HE LYS 57 -11.728 -1.474 -4.409
143 HZ1 LYS 57 3HZ LYS 57 -10.278 -2.775 -2.264
144 HZ2 LYS 57 1HZ LYS 57 -10.073 -3.470 -3.792
145 HZ3 LYS 57 2HZ LYS 57 -11.624 -3.305 -3.139
146 H LEU 58 HN LEU 58 -7.638 2.618 -4.486
147 HA LEU 58 HA LEU 58 -10.004 3.970 -3.840
148 HB2 LEU 58 3HB LEU 58 -7.213 3.938 -2.829
149 HB3 LEU 58 2HB LEU 58 -8.222 5.323 -2.374
150 HG LEU 58 HG LEU 58 -8.192 3.542 -0.667
151 HD11 LEU 58 1HD1 LEU 58 -10.409 4.912 -1.722
152 HD12 LEU 58 2HD1 LEU 58 -10.204 4.273 -0.093
153 HD13 LEU 58 3HD1 LEU 58 -10.961 3.280 -1.338
154 HD21 LEU 58 3HD2 LEU 58 -9.499 1.470 -1.160
155 HD22 LEU 58 1HD2 LEU 58 -7.958 1.582 -2.012
156 HD23 LEU 58 2HD2 LEU 58 -9.465 1.919 -2.865
157 H GLY 59 HN GLY 59 -7.428 4.829 -5.937
158 HA2 GLY 59 2HA GLY 59 -7.951 6.620 -7.534
159 HA3 GLY 59 3HA GLY 59 -8.562 7.547 -6.173
160 H TYR 60 HN TYR 60 -5.715 5.726 -5.605
161 HA TYR 60 HA TYR 60 -4.183 8.208 -5.441
162 HB2 TYR 60 3HB TYR 60 -3.847 5.452 -4.283
163 HB3 TYR 60 2HB TYR 60 -2.489 6.579 -4.326
164 HD1 TYR 60 2HD TYR 60 -2.958 8.969 -3.339
165 HD2 TYR 60 1HD TYR 60 -5.253 5.504 -2.425
166 HE1 TYR 60 2HE TYR 60 -3.740 10.040 -1.268
167 HE2 TYR 60 1HE TYR 60 -6.041 6.566 -0.352
168 HH TYR 60 HH TYR 60 -5.533 8.293 1.142
169 H SER 61 HN SER 61 -1.666 7.624 -5.815
170 HA SER 61 HA SER 61 -1.545 6.739 -8.611
171 HB2 SER 61 1HB SER 61 -0.679 9.068 -7.600
172 HB3 SER 61 2HB SER 61 0.779 8.092 -7.337
173 HG SER 61 HG SER 61 0.159 9.255 -9.538
174 H SER 62 HN SER 62 -0.275 5.082 -9.260
175 HA SER 62 HA SER 62 0.443 3.066 -7.490
176 HB2 SER 62 1HB SER 62 1.464 1.957 -9.330
177 HB3 SER 62 2HB SER 62 0.125 2.897 -10.012
178 HG SER 62 HG SER 62 1.837 3.349 -11.296
179 H SER 63 HN SER 63 2.428 5.633 -8.904
180 HA SER 63 HA SER 63 4.904 4.775 -7.885
181 HB2 SER 63 1HB SER 63 4.993 6.390 -9.605
182 HB3 SER 63 2HB SER 63 3.862 7.464 -8.764
183 HG SER 63 HG SER 63 6.078 8.140 -8.617
184 H GLU 64 HN GLU 64 2.234 6.408 -6.409
185 HA GLU 64 HA GLU 64 3.741 7.388 -4.154
186 HB2 GLU 64 3HB GLU 64 0.755 7.168 -4.614
187 HB3 GLU 64 2HB GLU 64 1.516 7.988 -3.241
188 HG2 GLU 64 3HG GLU 64 2.463 8.883 -5.873
189 HG3 GLU 64 2HG GLU 64 0.754 9.195 -5.547
190 HE2 GLU 64 HE GLU 64 1.537 11.440 -2.966
191 H ILE 65 HN ILE 65 1.171 4.944 -4.546
192 HA ILE 65 HA ILE 65 1.364 3.890 -1.954
193 HB ILE 65 HB ILE 65 0.445 2.505 -4.475
194 HG12 ILE 65 1HG1 ILE 65 -1.333 3.665 -2.349
195 HG13 ILE 65 2HG1 ILE 65 -0.682 4.703 -3.628
196 HG21 ILE 65 1HG2 ILE 65 -0.847 1.081 -2.871
197 HG22 ILE 65 2HG2 ILE 65 0.899 0.850 -2.822
198 HG23 ILE 65 3HG2 ILE 65 0.102 1.799 -1.568
199 HD11 ILE 65 3HD1 ILE 65 -3.003 3.681 -3.966
200 HD12 ILE 65 1HD1 ILE 65 -1.855 3.607 -5.303
201 HD13 ILE 65 2HD1 ILE 65 -2.140 2.182 -4.304
202 H HIS 66 HN HIS 66 3.029 3.061 -4.948
203 HA HIS 66 HA HIS 66 4.319 0.740 -3.904
204 HB2 HIS 66 3HB HIS 66 3.882 1.416 -6.374
205 HB3 HIS 66 2HB HIS 66 5.376 2.346 -6.215
206 HD1 HIS 66 1HD HIS 66 7.510 1.122 -6.587
207 HD2 HIS 66 2HD HIS 66 4.332 -1.453 -5.862
208 HE1 HIS 66 1HE HIS 66 8.422 -1.192 -6.958
209 HE2 HIS 66 2HE HIS 66 6.480 -2.766 -6.515
210 H SER 67 HN SER 67 4.982 4.138 -3.844
211 HA SER 67 HA SER 67 7.775 3.919 -3.262
212 HB2 SER 67 1HB SER 67 7.048 5.970 -4.237
213 HB3 SER 67 2HB SER 67 5.788 6.181 -3.007
214 HG SER 67 HG SER 67 7.210 7.208 -1.873
215 H VAL 68 HN VAL 68 5.003 4.925 -1.249
216 HA VAL 68 HA VAL 68 6.317 4.995 1.191
217 HB VAL 68 HB VAL 68 4.111 4.680 2.245
218 HG11 VAL 68 1HG1 VAL 68 4.101 6.507 -0.156
219 HG12 VAL 68 2HG1 VAL 68 3.009 6.626 1.226
220 HG13 VAL 68 3HG1 VAL 68 4.741 6.885 1.443
221 HG21 VAL 68 3HG2 VAL 68 3.425 3.724 -0.484
222 HG22 VAL 68 1HG2 VAL 68 2.888 3.138 1.091
223 HG23 VAL 68 2HG2 VAL 68 2.196 4.613 0.417
224 H LEU 69 HN LEU 69 4.939 2.267 -0.540
225 HA LEU 69 HA LEU 69 5.215 0.417 1.622
226 HB2 LEU 69 3HB LEU 69 4.402 0.331 -1.214
227 HB3 LEU 69 2HB LEU 69 5.115 -1.159 -0.574
228 HG LEU 69 HG LEU 69 2.624 -1.082 -0.498
229 HD11 LEU 69 1HD1 LEU 69 3.752 -2.613 0.938
230 HD12 LEU 69 2HD1 LEU 69 2.471 -1.845 1.876
231 HD13 LEU 69 3HD1 LEU 69 4.146 -1.335 2.088
232 HD21 LEU 69 3HD2 LEU 69 3.137 1.075 1.547
233 HD22 LEU 69 1HD2 LEU 69 1.587 0.276 1.283
234 HD23 LEU 69 2HD2 LEU 69 2.299 1.259 0.004
235 H GLN 70 HN GLN 70 7.200 1.411 -1.091
236 HA GLN 70 HA GLN 70 9.090 -0.677 -0.979
237 HB2 GLN 70 3HB GLN 70 9.005 0.682 -2.937
238 HB3 GLN 70 2HB GLN 70 9.271 2.156 -1.994
239 HG2 GLN 70 3HG GLN 70 11.287 1.583 -3.178
240 HG3 GLN 70 2HG GLN 70 11.532 1.381 -1.437
241 HE21 GLN 70 1HE2 GLN 70 13.261 -0.022 -1.789
242 HE22 GLN 70 2HE2 GLN 70 13.023 -1.653 -2.305
243 H LYS 71 HN LYS 71 8.627 2.168 0.939
244 HA LYS 71 HA LYS 71 11.271 1.926 2.158
245 HB2 LYS 71 3HB LYS 71 9.133 4.002 2.106
246 HB3 LYS 71 2HB LYS 71 10.184 3.939 3.532
247 HG2 LYS 71 3HG LYS 71 12.066 4.548 2.360
248 HG3 LYS 71 2HG LYS 71 11.420 3.954 0.821
249 HD2 LYS 71 3HD LYS 71 11.306 6.265 0.569
250 HD3 LYS 71 2HD LYS 71 9.667 5.836 1.089
251 HE2 LYS 71 3HE LYS 71 10.096 6.539 3.334
252 HE3 LYS 71 2HE LYS 71 11.824 6.717 2.997
253 HZ1 LYS 71 3HZ LYS 71 11.363 8.839 2.589
254 HZ2 LYS 71 1HZ LYS 71 9.693 8.568 2.553
255 HZ3 LYS 71 2HZ LYS 71 10.619 8.331 1.157
256 H LEU 72 HN LEU 72 7.847 1.912 3.124
257 HA LEU 72 HA LEU 72 8.304 1.253 5.827
258 HB2 LEU 72 3HB LEU 72 5.978 1.234 3.976
259 HB3 LEU 72 2HB LEU 72 5.851 0.276 5.461
260 HG LEU 72 HG LEU 72 6.142 2.237 6.823
261 HD11 LEU 72 1HD1 LEU 72 6.065 4.463 5.320
262 HD12 LEU 72 2HD1 LEU 72 7.029 3.422 4.273
263 HD13 LEU 72 3HD1 LEU 72 7.558 3.743 5.924
264 HD21 LEU 72 3HD2 LEU 72 4.051 2.091 4.771
265 HD22 LEU 72 1HD2 LEU 72 4.235 3.675 5.525
266 HD23 LEU 72 2HD2 LEU 72 3.918 2.255 6.523
267 H GLY 73 HN GLY 73 7.204 -0.817 3.131
268 HA2 GLY 73 2HA GLY 73 8.029 -2.990 2.692
269 HA3 GLY 73 3HA GLY 73 8.668 -3.051 4.329
270 H VAL 74 HN VAL 74 7.754 -4.873 5.103
271 HA VAL 74 HA VAL 74 4.879 -5.284 4.757
272 HB VAL 74 HB VAL 74 6.924 -7.134 5.991
273 HG11 VAL 74 1HG1 VAL 74 5.029 -8.801 5.357
274 HG12 VAL 74 2HG1 VAL 74 4.900 -7.854 6.840
275 HG13 VAL 74 3HG1 VAL 74 4.004 -7.368 5.400
276 HG21 VAL 74 3HG2 VAL 74 7.616 -7.256 3.840
277 HG22 VAL 74 1HG2 VAL 74 6.231 -8.338 3.695
278 HG23 VAL 74 2HG2 VAL 74 6.089 -6.651 3.198
279 H GLN 75 HN GLN 75 7.191 -4.306 7.114
280 HA GLN 75 HA GLN 75 5.757 -4.963 9.459
281 HB2 GLN 75 3HB GLN 75 7.244 -3.444 10.610
282 HB3 GLN 75 2HB GLN 75 8.165 -4.387 9.426
283 HG2 GLN 75 3HG GLN 75 8.022 -2.465 7.853
284 HG3 GLN 75 2HG GLN 75 7.264 -1.531 9.151
285 HE21 GLN 75 1HE2 GLN 75 10.198 -3.083 8.083
286 HE22 GLN 75 2HE2 GLN 75 11.262 -2.260 9.166
287 H ALA 76 HN ALA 76 5.276 -2.576 7.073
288 HA ALA 76 HA ALA 76 4.183 -0.439 8.430
289 HB1 ALA 76 1HB ALA 76 4.449 -1.105 5.814
290 HB2 ALA 76 2HB ALA 76 2.700 -1.202 6.016
291 HB3 ALA 76 3HB ALA 76 3.551 0.293 6.404
292 H ASP 77 HN ASP 77 1.791 0.156 8.421
293 HA ASP 77 HA ASP 77 0.114 -2.144 9.151
294 HB2 ASP 77 3HB ASP 77 -0.107 0.404 10.717
295 HB3 ASP 77 2HB ASP 77 -0.541 -1.245 11.188
296 HD2 ASP 77 HD ASP 77 2.847 0.024 12.396
297 H THR 78 HN THR 78 -2.201 -0.913 9.783
298 HA THR 78 HA THR 78 -3.181 -0.107 7.228
299 HB THR 78 HB THR 78 -4.648 0.088 9.860
300 HG1 THR 78 1HG THR 78 -4.794 -2.126 8.107
301 HG21 THR 78 3HG2 THR 78 -6.588 0.253 8.649
302 HG22 THR 78 1HG2 THR 78 -5.922 -0.604 7.259
303 HG23 THR 78 2HG2 THR 78 -5.479 1.078 7.552
304 H ASN 79 HN ASN 79 -2.391 1.565 10.222
305 HA ASN 79 HA ASN 79 -3.435 4.090 9.298
306 HB2 ASN 79 3HB ASN 79 -3.196 3.193 11.753
307 HB3 ASN 79 2HB ASN 79 -1.553 3.831 11.617
308 HD21 ASN 79 1HD2 ASN 79 -4.095 4.618 13.114
309 HD22 ASN 79 2HD2 ASN 79 -4.217 6.319 12.834
310 H THR 80 HN THR 80 -0.282 2.550 9.611
311 HA THR 80 HA THR 80 1.395 4.696 9.133
312 HB THR 80 HB THR 80 2.087 2.152 7.763
313 HG1 THR 80 1HG THR 80 2.515 1.228 9.891
314 HG21 THR 80 3HG2 THR 80 4.230 2.625 8.484
315 HG22 THR 80 1HG2 THR 80 3.672 3.508 9.905
316 HG23 THR 80 2HG2 THR 80 3.562 4.248 8.307
317 H VAL 81 HN VAL 81 0.103 2.436 6.689
318 HA VAL 81 HA VAL 81 1.100 3.647 4.421
319 HB VAL 81 HB VAL 81 -1.627 2.366 4.643
320 HG11 VAL 81 1HG1 VAL 81 0.220 2.916 2.336
321 HG12 VAL 81 2HG1 VAL 81 -1.069 1.713 2.251
322 HG13 VAL 81 3HG1 VAL 81 -1.461 3.409 2.537
323 HG21 VAL 81 3HG2 VAL 81 -0.626 0.429 5.065
324 HG22 VAL 81 1HG2 VAL 81 0.340 0.601 3.598
325 HG23 VAL 81 2HG2 VAL 81 0.934 1.248 5.127
326 H LEU 82 HN LEU 82 -2.173 4.153 5.757
327 HA LEU 82 HA LEU 82 -2.981 6.186 4.074
328 HB2 LEU 82 3HB LEU 82 -3.629 5.846 7.007
329 HB3 LEU 82 2HB LEU 82 -4.527 6.856 5.863
330 HG LEU 82 HG LEU 82 -4.243 3.937 5.307
331 HD11 LEU 82 1HD1 LEU 82 -6.611 4.765 6.851
332 HD12 LEU 82 2HD1 LEU 82 -5.102 4.640 7.755
333 HD13 LEU 82 3HD1 LEU 82 -5.714 3.246 6.866
334 HD21 LEU 82 3HD2 LEU 82 -5.288 5.735 3.777
335 HD22 LEU 82 1HD2 LEU 82 -6.644 5.681 4.904
336 HD23 LEU 82 2HD2 LEU 82 -6.162 4.224 4.033
337 H GLY 83 HN GLY 83 -1.301 6.481 7.199
338 HA2 GLY 83 2HA GLY 83 -1.201 9.234 7.413
339 HA3 GLY 83 3HA GLY 83 0.041 8.151 8.025
340 H GLU 84 HN GLU 84 1.186 7.132 5.805
341 HA GLU 84 HA GLU 84 2.987 9.066 5.008
342 HB2 GLU 84 3HB GLU 84 2.139 6.582 3.500
343 HB3 GLU 84 2HB GLU 84 3.605 7.521 3.177
344 HG2 GLU 84 3HG GLU 84 3.089 6.359 5.893
345 HG3 GLU 84 2HG GLU 84 3.791 5.386 4.593
346 HE2 GLU 84 HE GLU 84 6.588 7.732 4.592
347 H LEU 85 HN LEU 85 -0.007 8.052 3.427
348 HA LEU 85 HA LEU 85 0.353 9.751 1.153
349 HB2 LEU 85 3HB LEU 85 -2.209 8.518 2.177
350 HB3 LEU 85 2HB LEU 85 -1.881 9.115 0.540
351 HG LEU 85 HG LEU 85 -0.448 6.767 1.773
352 HD11 LEU 85 1HD1 LEU 85 -2.434 6.302 -0.342
353 HD12 LEU 85 2HD1 LEU 85 -3.095 6.761 1.226
354 HD13 LEU 85 3HD1 LEU 85 -2.050 5.348 1.090
355 HD21 LEU 85 3HD2 LEU 85 -0.750 7.461 -1.134
356 HD22 LEU 85 1HD2 LEU 85 0.390 6.348 -0.377
357 HD23 LEU 85 2HD2 LEU 85 0.576 8.088 -0.154
358 H VAL 86 HN VAL 86 -1.147 10.059 4.290
359 HA VAL 86 HA VAL 86 -2.694 12.373 3.735
360 HB VAL 86 HB VAL 86 -1.591 11.400 6.375
361 HG11 VAL 86 1HG1 VAL 86 -3.632 12.736 7.214
362 HG12 VAL 86 2HG1 VAL 86 -2.169 13.618 6.771
363 HG13 VAL 86 3HG1 VAL 86 -3.537 13.562 5.659
364 HG21 VAL 86 3HG2 VAL 86 -3.132 9.803 6.290
365 HG22 VAL 86 1HG2 VAL 86 -4.393 11.023 6.104
366 HG23 VAL 86 2HG2 VAL 86 -3.607 10.342 4.680
367 H LYS 87 HN LYS 87 0.646 11.849 4.560
368 HA LYS 87 HA LYS 87 1.078 14.712 4.991
369 HB2 LYS 87 3HB LYS 87 2.587 12.224 5.623
370 HB3 LYS 87 2HB LYS 87 3.526 13.697 5.330
371 HG2 LYS 87 3HG LYS 87 1.754 14.711 7.039
372 HG3 LYS 87 2HG LYS 87 1.708 13.018 7.567
373 HD2 LYS 87 3HD LYS 87 4.122 13.016 7.893
374 HD3 LYS 87 2HD LYS 87 4.212 14.684 7.301
375 HE2 LYS 87 3HE LYS 87 4.277 14.837 9.664
376 HE3 LYS 87 2HE LYS 87 2.641 15.308 9.182
377 HZ1 LYS 87 3HZ LYS 87 1.967 12.964 9.651
378 HZ2 LYS 87 1HZ LYS 87 2.443 13.847 11.014
379 HZ3 LYS 87 2HZ LYS 87 3.495 12.713 10.331
380 H HIS 88 HN HIS 88 2.542 12.069 3.090
381 HA HIS 88 HA HIS 88 4.101 13.695 1.432
382 HB2 HIS 88 3HB HIS 88 4.113 11.119 1.765
383 HB3 HIS 88 2HB HIS 88 2.907 11.107 0.475
384 HD1 HIS 88 1HD HIS 88 4.076 10.361 -1.573
385 HD2 HIS 88 2HD HIS 88 6.330 13.107 0.582
386 HE1 HIS 88 1HE HIS 88 6.120 10.801 -2.972
387 HE2 HIS 88 2HE HIS 88 7.497 12.479 -1.657
388 H GLY 89 HN GLY 89 0.862 12.320 0.879
389 HA2 GLY 89 2HA GLY 89 -0.505 14.298 -0.210
390 HA3 GLY 89 3HA GLY 89 0.587 13.937 -1.540
Start of MODEL 12
1 H1 GLY 41 HN GLY 41 -6.009 -16.248 -14.925
2 HA2 GLY 41 2HA GLY 41 -4.835 -16.613 -12.939
3 HA3 GLY 41 3HA GLY 41 -5.611 -15.079 -12.575
4 HA PRO 42 HA PRO 42 -6.880 -18.467 -9.535
5 HB2 PRO 42 3HB PRO 42 -5.674 -17.406 -7.315
6 HB3 PRO 42 2HB PRO 42 -4.877 -18.537 -8.409
7 HG2 PRO 42 3HG PRO 42 -4.717 -15.542 -8.322
8 HG3 PRO 42 2HG PRO 42 -3.389 -16.753 -8.496
9 HD2 PRO 42 3HD PRO 42 -4.394 -15.365 -10.603
10 HD3 PRO 42 2HD PRO 42 -3.806 -17.031 -10.745
11 H HIS 43 HN HIS 43 -7.945 -17.966 -7.301
12 HA HIS 43 HA HIS 43 -10.066 -16.153 -7.769
13 HB2 HIS 43 3HB HIS 43 -9.182 -17.640 -5.287
14 HB3 HIS 43 2HB HIS 43 -10.646 -16.654 -5.353
15 HD1 HIS 43 1HD HIS 43 -9.815 -20.024 -5.491
16 HD2 HIS 43 2HD HIS 43 -12.215 -17.613 -7.875
17 HE1 HIS 43 1HE HIS 43 -11.375 -21.597 -6.684
18 HE2 HIS 43 2HE HIS 43 -12.842 -20.123 -8.141
19 H MET 44 HN MET 44 -7.693 -16.096 -5.101
20 HA MET 44 HA MET 44 -8.040 -13.187 -4.955
21 HB2 MET 44 3HB MET 44 -7.117 -15.279 -3.010
22 HB3 MET 44 2HB MET 44 -6.672 -13.582 -2.767
23 HG2 MET 44 3HG MET 44 -8.582 -13.716 -1.506
24 HG3 MET 44 2HG MET 44 -9.219 -13.151 -3.053
25 HE1 MET 44 3HE MET 44 -10.522 -15.048 -0.369
26 HE2 MET 44 1HE MET 44 -10.497 -16.763 -0.778
27 HE3 MET 44 2HE MET 44 -8.985 -15.911 -0.463
28 H THR 45 HN THR 45 -5.864 -12.163 -3.995
29 HA THR 45 HA THR 45 -3.671 -13.033 -5.763
30 HB THR 45 HB THR 45 -4.730 -10.928 -6.550
31 HG1 THR 45 1HG THR 45 -2.792 -10.148 -7.071
32 HG21 THR 45 3HG2 THR 45 -3.537 -9.304 -4.421
33 HG22 THR 45 1HG2 THR 45 -4.913 -10.276 -3.901
34 HG23 THR 45 2HG2 THR 45 -5.092 -9.139 -5.236
35 H SER 46 HN SER 46 -1.512 -12.113 -5.041
36 HA SER 46 HA SER 46 -0.863 -13.075 -2.515
37 HB2 SER 46 1HB SER 46 0.596 -12.343 -4.647
38 HB3 SER 46 2HB SER 46 0.843 -10.910 -3.633
39 HG SER 46 HG SER 46 2.411 -12.582 -3.277
40 H GLU 47 HN GLU 47 -0.766 -12.223 -0.510
41 HA GLU 47 HA GLU 47 -2.324 -10.069 0.234
42 HB2 GLU 47 3HB GLU 47 -1.575 -11.786 1.803
43 HB3 GLU 47 2HB GLU 47 0.086 -11.190 1.672
44 HG2 GLU 47 3HG GLU 47 -0.309 -9.339 2.953
45 HG3 GLU 47 2HG GLU 47 -2.024 -9.282 2.520
46 HE2 GLU 47 HE GLU 47 -2.641 -10.653 5.601
47 H LEU 48 HN LEU 48 1.064 -10.142 -0.680
48 HA LEU 48 HA LEU 48 1.632 -7.461 0.114
49 HB2 LEU 48 3HB LEU 48 3.657 -7.763 -1.360
50 HB3 LEU 48 2HB LEU 48 3.471 -8.920 -0.030
51 HG LEU 48 HG LEU 48 2.264 -9.992 -2.399
52 HD11 LEU 48 1HD1 LEU 48 4.096 -8.315 -3.282
53 HD12 LEU 48 2HD1 LEU 48 3.893 -9.915 -3.995
54 HD13 LEU 48 3HD1 LEU 48 5.183 -9.628 -2.827
55 HD21 LEU 48 3HD2 LEU 48 3.966 -11.769 -1.978
56 HD22 LEU 48 1HD2 LEU 48 2.971 -11.367 -0.579
57 HD23 LEU 48 2HD2 LEU 48 4.624 -10.759 -0.690
58 H GLN 49 HN GLN 49 0.621 -9.004 -2.887
59 HA GLN 49 HA GLN 49 0.879 -6.639 -4.475
60 HB2 GLN 49 3HB GLN 49 -0.573 -9.252 -4.945
61 HB3 GLN 49 2HB GLN 49 -0.455 -7.958 -6.148
62 HG2 GLN 49 3HG GLN 49 1.746 -9.670 -5.024
63 HG3 GLN 49 2HG GLN 49 1.216 -9.508 -6.705
64 HE21 GLN 49 1HE2 GLN 49 1.064 -6.776 -6.955
65 HE22 GLN 49 2HE2 GLN 49 2.647 -6.097 -6.819
66 H MET 50 HN MET 50 -1.569 -7.981 -2.428
67 HA MET 50 HA MET 50 -3.758 -6.501 -3.526
68 HB2 MET 50 3HB MET 50 -3.914 -8.652 -2.187
69 HB3 MET 50 2HB MET 50 -3.590 -7.669 -0.750
70 HG2 MET 50 3HG MET 50 -5.596 -6.279 -1.353
71 HG3 MET 50 2HG MET 50 -5.950 -7.477 -2.600
72 HE1 MET 50 3HE MET 50 -6.652 -10.693 -0.683
73 HE2 MET 50 1HE MET 50 -5.784 -9.990 -2.049
74 HE3 MET 50 2HE MET 50 -4.947 -10.272 -0.523
75 H LYS 51 HN LYS 51 -1.447 -6.011 -0.922
76 HA LYS 51 HA LYS 51 -2.609 -3.907 0.439
77 HB2 LYS 51 3HB LYS 51 0.169 -4.837 -0.035
78 HB3 LYS 51 2HB LYS 51 -0.017 -3.177 0.552
79 HG2 LYS 51 3HG LYS 51 -1.282 -3.968 2.480
80 HG3 LYS 51 2HG LYS 51 -1.129 -5.633 1.891
81 HD2 LYS 51 3HD LYS 51 1.418 -5.197 1.935
82 HD3 LYS 51 2HD LYS 51 1.003 -3.817 2.967
83 HE2 LYS 51 3HE LYS 51 -0.413 -5.643 4.264
84 HE3 LYS 51 2HE LYS 51 0.759 -6.735 3.511
85 HZ1 LYS 51 3HZ LYS 51 1.281 -5.738 5.809
86 HZ2 LYS 51 1HZ LYS 51 1.694 -4.340 4.950
87 HZ3 LYS 51 2HZ LYS 51 2.512 -5.790 4.650
88 H VAL 52 HN VAL 52 -0.604 -3.794 -2.486
89 HA VAL 52 HA VAL 52 -0.808 -0.933 -2.710
90 HB VAL 52 HB VAL 52 0.105 -2.883 -4.826
91 HG11 VAL 52 1HG1 VAL 52 -0.359 -0.167 -4.975
92 HG12 VAL 52 2HG1 VAL 52 1.381 -0.276 -4.700
93 HG13 VAL 52 3HG1 VAL 52 0.649 -1.113 -6.069
94 HG21 VAL 52 3HG2 VAL 52 2.381 -1.828 -3.770
95 HG22 VAL 52 1HG2 VAL 52 1.375 -2.010 -2.333
96 HG23 VAL 52 2HG2 VAL 52 1.717 -3.408 -3.352
97 H ASP 53 HN ASP 53 -2.129 -3.704 -4.509
98 HA ASP 53 HA ASP 53 -3.589 -2.344 -6.420
99 HB2 ASP 53 3HB ASP 53 -3.234 -4.852 -6.213
100 HB3 ASP 53 2HB ASP 53 -4.563 -4.850 -5.045
101 HD2 ASP 53 HD ASP 53 -6.518 -5.394 -7.837
102 H PHE 54 HN PHE 54 -4.250 -2.766 -3.032
103 HA PHE 54 HA PHE 54 -7.003 -2.149 -3.057
104 HB2 PHE 54 3HB PHE 54 -5.872 -3.198 -1.138
105 HB3 PHE 54 2HB PHE 54 -4.972 -1.707 -0.859
106 HD1 PHE 54 1HD PHE 54 -6.061 0.285 0.019
107 HD2 PHE 54 2HD PHE 54 -8.196 -3.359 -0.511
108 HE1 PHE 54 1HE PHE 54 -7.865 1.137 1.458
109 HE2 PHE 54 2HE PHE 54 -10.004 -2.512 0.927
110 HZ PHE 54 HZ PHE 54 -9.841 -0.261 1.912
111 H PHE 55 HN PHE 55 -4.453 -0.046 -1.738
112 HA PHE 55 HA PHE 55 -5.923 2.306 -1.817
113 HB2 PHE 55 3HB PHE 55 -2.984 1.701 -1.784
114 HB3 PHE 55 2HB PHE 55 -3.526 3.368 -1.976
115 HD1 PHE 55 2HD PHE 55 -3.402 0.511 0.308
116 HD2 PHE 55 1HD PHE 55 -4.583 4.571 -0.182
117 HE1 PHE 55 2HE PHE 55 -3.688 0.717 2.743
118 HE2 PHE 55 1HE PHE 55 -4.871 4.784 2.252
119 HZ PHE 55 HZ PHE 55 -4.424 2.855 3.718
120 H ARG 56 HN ARG 56 -4.288 0.629 -4.361
121 HA ARG 56 HA ARG 56 -3.886 2.713 -6.184
122 HB2 ARG 56 3HB ARG 56 -4.285 -0.248 -6.441
123 HB3 ARG 56 2HB ARG 56 -4.239 0.761 -7.895
124 HG2 ARG 56 3HG ARG 56 -2.044 1.300 -6.037
125 HG3 ARG 56 2HG ARG 56 -2.068 -0.356 -6.670
126 HD2 ARG 56 3HD ARG 56 -2.229 2.132 -8.386
127 HD3 ARG 56 2HD ARG 56 -0.740 1.233 -8.050
128 HE ARG 56 HE ARG 56 -2.346 -0.682 -9.041
129 HH11 ARG 56 1HH1 ARG 56 -1.539 2.516 -10.159
130 HH12 ARG 56 2HH1 ARG 56 -1.725 2.118 -11.835
131 HH21 ARG 56 1HH2 ARG 56 -2.595 -1.217 -11.245
132 HH22 ARG 56 2HH2 ARG 56 -2.327 -0.005 -12.452
133 H LYS 57 HN LYS 57 -6.762 1.021 -5.235
134 HA LYS 57 HA LYS 57 -8.297 2.114 -7.464
135 HB2 LYS 57 3HB LYS 57 -9.986 0.621 -6.928
136 HB3 LYS 57 2HB LYS 57 -8.533 -0.276 -6.455
137 HG2 LYS 57 3HG LYS 57 -9.077 0.987 -4.134
138 HG3 LYS 57 2HG LYS 57 -10.709 0.807 -4.798
139 HD2 LYS 57 3HD LYS 57 -10.535 -1.545 -4.909
140 HD3 LYS 57 2HD LYS 57 -8.778 -1.495 -4.676
141 HE2 LYS 57 3HE LYS 57 -8.940 -1.099 -2.407
142 HE3 LYS 57 2HE LYS 57 -10.547 -0.374 -2.553
143 HZ1 LYS 57 3HZ LYS 57 -9.839 -3.246 -2.631
144 HZ2 LYS 57 1HZ LYS 57 -11.340 -2.674 -3.163
145 HZ3 LYS 57 2HZ LYS 57 -10.873 -2.453 -1.553
146 H LEU 58 HN LEU 58 -7.603 2.747 -4.155
147 HA LEU 58 HA LEU 58 -9.901 4.154 -3.386
148 HB2 LEU 58 3HB LEU 58 -7.076 4.017 -2.498
149 HB3 LEU 58 2HB LEU 58 -8.002 5.440 -1.994
150 HG LEU 58 HG LEU 58 -7.986 3.673 -0.288
151 HD11 LEU 58 1HD1 LEU 58 -10.112 4.098 0.363
152 HD12 LEU 58 2HD1 LEU 58 -10.797 3.671 -1.204
153 HD13 LEU 58 3HD1 LEU 58 -10.034 5.243 -0.975
154 HD21 LEU 58 3HD2 LEU 58 -9.386 1.636 -0.745
155 HD22 LEU 58 1HD2 LEU 58 -7.838 1.690 -1.590
156 HD23 LEU 58 2HD2 LEU 58 -9.329 2.068 -2.455
157 H GLY 59 HN GLY 59 -7.410 4.965 -5.596
158 HA2 GLY 59 2HA GLY 59 -7.959 6.795 -7.142
159 HA3 GLY 59 3HA GLY 59 -8.468 7.721 -5.737
160 H TYR 60 HN TYR 60 -5.612 5.753 -5.582
161 HA TYR 60 HA TYR 60 -4.000 8.206 -5.436
162 HB2 TYR 60 3HB TYR 60 -3.700 5.467 -4.219
163 HB3 TYR 60 2HB TYR 60 -2.319 6.560 -4.345
164 HD1 TYR 60 2HD TYR 60 -2.718 8.994 -3.410
165 HD2 TYR 60 1HD TYR 60 -5.000 5.581 -2.294
166 HE1 TYR 60 2HE TYR 60 -3.389 10.129 -1.334
167 HE2 TYR 60 1HE TYR 60 -5.679 6.707 -0.215
168 HH TYR 60 HH TYR 60 -5.493 9.883 0.300
169 H SER 61 HN SER 61 -1.526 7.483 -5.904
170 HA SER 61 HA SER 61 -1.582 6.440 -8.655
171 HB2 SER 61 1HB SER 61 -0.597 8.841 -7.717
172 HB3 SER 61 2HB SER 61 0.858 7.834 -7.816
173 HG SER 61 HG SER 61 -0.190 9.077 -9.788
174 H SER 62 HN SER 62 -0.125 4.887 -9.317
175 HA SER 62 HA SER 62 0.642 2.939 -7.480
176 HB2 SER 62 1HB SER 62 1.527 1.764 -9.276
177 HB3 SER 62 2HB SER 62 0.396 2.855 -10.091
178 HG SER 62 HG SER 62 2.531 2.783 -11.040
179 H SER 63 HN SER 63 2.529 5.544 -8.958
180 HA SER 63 HA SER 63 5.031 4.821 -7.901
181 HB2 SER 63 1HB SER 63 3.857 7.396 -8.929
182 HB3 SER 63 2HB SER 63 5.470 7.376 -8.195
183 HG SER 63 HG SER 63 6.241 6.285 -9.852
184 H GLU 64 HN GLU 64 2.264 6.203 -6.432
185 HA GLU 64 HA GLU 64 3.727 7.355 -4.207
186 HB2 GLU 64 3HB GLU 64 0.743 7.017 -4.598
187 HB3 GLU 64 2HB GLU 64 1.532 7.996 -3.352
188 HG2 GLU 64 3HG GLU 64 2.448 8.737 -5.993
189 HG3 GLU 64 2HG GLU 64 0.687 8.836 -5.860
190 HE2 GLU 64 HE GLU 64 2.811 11.619 -4.182
191 H ILE 65 HN ILE 65 1.261 4.811 -4.612
192 HA ILE 65 HA ILE 65 1.487 3.815 -1.979
193 HB ILE 65 HB ILE 65 0.504 2.405 -4.463
194 HG12 ILE 65 1HG1 ILE 65 -1.236 3.546 -2.302
195 HG13 ILE 65 2HG1 ILE 65 -0.600 4.610 -3.566
196 HG21 ILE 65 1HG2 ILE 65 0.883 0.687 -2.951
197 HG22 ILE 65 2HG2 ILE 65 0.449 1.680 -1.561
198 HG23 ILE 65 3HG2 ILE 65 -0.806 1.101 -2.656
199 HD11 ILE 65 3HD1 ILE 65 -2.905 3.666 -3.957
200 HD12 ILE 65 1HD1 ILE 65 -1.743 3.464 -5.268
201 HD13 ILE 65 2HD1 ILE 65 -2.121 2.107 -4.207
202 H HIS 66 HN HIS 66 2.781 2.578 -5.060
203 HA HIS 66 HA HIS 66 4.173 0.395 -4.029
204 HB2 HIS 66 3HB HIS 66 3.727 1.247 -6.504
205 HB3 HIS 66 2HB HIS 66 5.349 1.923 -6.309
206 HD1 HIS 66 1HD HIS 66 7.055 -0.093 -5.161
207 HD2 HIS 66 2HD HIS 66 3.925 -1.187 -7.665
208 HE1 HIS 66 1HE HIS 66 7.643 -2.385 -6.011
209 HE2 HIS 66 2HE HIS 66 5.730 -3.055 -7.543
210 H SER 67 HN SER 67 4.938 3.779 -3.990
211 HA SER 67 HA SER 67 7.724 3.475 -3.425
212 HB2 SER 67 1HB SER 67 7.280 5.566 -4.321
213 HB3 SER 67 2HB SER 67 5.777 5.749 -3.400
214 HG SER 67 HG SER 67 7.005 6.958 -2.177
215 H VAL 68 HN VAL 68 5.068 4.701 -1.380
216 HA VAL 68 HA VAL 68 6.403 4.681 1.038
217 HB VAL 68 HB VAL 68 4.158 4.435 2.108
218 HG11 VAL 68 1HG1 VAL 68 4.746 6.641 1.688
219 HG12 VAL 68 2HG1 VAL 68 4.663 6.435 -0.062
220 HG13 VAL 68 3HG1 VAL 68 3.180 6.493 0.890
221 HG21 VAL 68 3HG2 VAL 68 2.186 4.460 0.577
222 HG22 VAL 68 1HG2 VAL 68 3.278 4.075 -0.752
223 HG23 VAL 68 2HG2 VAL 68 3.077 2.938 0.582
224 H LEU 69 HN LEU 69 4.724 2.038 -0.589
225 HA LEU 69 HA LEU 69 4.888 0.186 1.546
226 HB2 LEU 69 3HB LEU 69 4.173 0.144 -1.308
227 HB3 LEU 69 2HB LEU 69 4.832 -1.378 -0.682
228 HG LEU 69 HG LEU 69 2.367 -1.303 -0.647
229 HD11 LEU 69 1HD1 LEU 69 3.500 -1.332 2.141
230 HD12 LEU 69 2HD1 LEU 69 3.724 -2.639 0.979
231 HD13 LEU 69 3HD1 LEU 69 2.103 -2.219 1.531
232 HD21 LEU 69 3HD2 LEU 69 1.218 0.135 0.944
233 HD22 LEU 69 1HD2 LEU 69 2.107 1.099 -0.235
234 HD23 LEU 69 2HD2 LEU 69 2.750 0.887 1.394
235 H GLN 70 HN GLN 70 7.097 1.147 -0.972
236 HA GLN 70 HA GLN 70 8.874 -1.082 -0.627
237 HB2 GLN 70 3HB GLN 70 8.844 -0.042 -2.775
238 HB3 GLN 70 2HB GLN 70 9.144 1.554 -2.069
239 HG2 GLN 70 3HG GLN 70 11.142 0.693 -3.147
240 HG3 GLN 70 2HG GLN 70 11.378 0.862 -1.401
241 HE21 GLN 70 1HE2 GLN 70 12.790 -0.668 -0.885
242 HE22 GLN 70 2HE2 GLN 70 12.629 -2.348 -1.257
243 H LYS 71 HN LYS 71 8.681 2.227 0.553
244 HA LYS 71 HA LYS 71 11.238 2.113 1.872
245 HB2 LYS 71 3HB LYS 71 10.005 4.195 0.951
246 HB3 LYS 71 2HB LYS 71 9.088 4.128 2.465
247 HG2 LYS 71 3HG LYS 71 11.182 4.295 3.742
248 HG3 LYS 71 2HG LYS 71 12.076 4.410 2.216
249 HD2 LYS 71 3HD LYS 71 9.842 6.322 2.858
250 HD3 LYS 71 2HD LYS 71 11.489 6.590 3.457
251 HE2 LYS 71 3HE LYS 71 10.963 6.062 0.539
252 HE3 LYS 71 2HE LYS 71 10.798 7.683 1.228
253 HZ1 LYS 71 3HZ LYS 71 13.210 6.081 0.823
254 HZ2 LYS 71 1HZ LYS 71 13.170 7.106 2.168
255 HZ3 LYS 71 2HZ LYS 71 12.968 7.742 0.614
256 H LEU 72 HN LEU 72 7.934 1.422 2.677
257 HA LEU 72 HA LEU 72 8.457 1.338 5.531
258 HB2 LEU 72 3HB LEU 72 6.042 0.900 3.802
259 HB3 LEU 72 2HB LEU 72 6.050 0.383 5.498
260 HG LEU 72 HG LEU 72 6.826 3.190 4.964
261 HD11 LEU 72 1HD1 LEU 72 4.969 3.826 3.942
262 HD12 LEU 72 2HD1 LEU 72 3.989 3.086 5.207
263 HD13 LEU 72 3HD1 LEU 72 4.480 2.136 3.805
264 HD21 LEU 72 3HD2 LEU 72 5.002 1.917 7.000
265 HD22 LEU 72 1HD2 LEU 72 5.630 3.565 7.025
266 HD23 LEU 72 2HD2 LEU 72 6.728 2.199 7.227
267 H GLY 73 HN GLY 73 7.281 -1.002 3.101
268 HA2 GLY 73 2HA GLY 73 8.240 -3.174 2.833
269 HA3 GLY 73 3HA GLY 73 8.821 -3.085 4.490
270 H VAL 74 HN VAL 74 7.911 -4.803 5.450
271 HA VAL 74 HA VAL 74 5.066 -5.344 5.010
272 HB VAL 74 HB VAL 74 7.080 -7.006 6.530
273 HG11 VAL 74 1HG1 VAL 74 5.184 -7.948 7.283
274 HG12 VAL 74 2HG1 VAL 74 4.200 -7.231 6.007
275 HG13 VAL 74 3HG1 VAL 74 5.130 -8.696 5.688
276 HG21 VAL 74 3HG2 VAL 74 6.321 -6.924 3.646
277 HG22 VAL 74 1HG2 VAL 74 7.905 -7.151 4.388
278 HG23 VAL 74 2HG2 VAL 74 6.734 -8.471 4.385
279 H GLN 75 HN GLN 75 7.222 -4.014 7.324
280 HA GLN 75 HA GLN 75 5.743 -4.502 9.683
281 HB2 GLN 75 3HB GLN 75 7.079 -2.719 10.683
282 HB3 GLN 75 2HB GLN 75 8.093 -3.807 9.721
283 HG2 GLN 75 3HG GLN 75 7.864 -2.125 7.828
284 HG3 GLN 75 2HG GLN 75 7.196 -1.026 9.042
285 HE21 GLN 75 1HE2 GLN 75 8.748 0.449 9.286
286 HE22 GLN 75 2HE2 GLN 75 10.383 0.109 9.727
287 H ALA 76 HN ALA 76 5.374 -2.242 7.094
288 HA ALA 76 HA ALA 76 3.992 -0.161 8.282
289 HB1 ALA 76 1HB ALA 76 4.572 -0.956 5.682
290 HB2 ALA 76 2HB ALA 76 2.811 -0.858 5.739
291 HB3 ALA 76 3HB ALA 76 3.787 0.542 6.182
292 H ASP 77 HN ASP 77 1.663 0.317 8.210
293 HA ASP 77 HA ASP 77 -0.061 -2.045 8.406
294 HB2 ASP 77 3HB ASP 77 0.634 -0.155 10.581
295 HB3 ASP 77 2HB ASP 77 -1.081 -0.561 10.428
296 HD2 ASP 77 HD ASP 77 -0.316 -3.308 12.343
297 H THR 78 HN THR 78 -2.433 -1.175 8.845
298 HA THR 78 HA THR 78 -3.268 0.139 6.549
299 HB THR 78 HB THR 78 -4.708 -0.047 9.204
300 HG1 THR 78 1HG THR 78 -5.779 -1.801 7.997
301 HG21 THR 78 3HG2 THR 78 -5.483 1.053 6.568
302 HG22 THR 78 1HG2 THR 78 -6.051 1.474 8.183
303 HG23 THR 78 2HG2 THR 78 -6.673 0.033 7.378
304 H ASN 79 HN ASN 79 -3.037 1.469 9.851
305 HA ASN 79 HA ASN 79 -3.745 4.100 9.158
306 HB2 ASN 79 3HB ASN 79 -3.893 3.536 11.445
307 HB3 ASN 79 2HB ASN 79 -2.233 2.926 11.484
308 HD21 ASN 79 1HD2 ASN 79 -4.240 5.754 11.523
309 HD22 ASN 79 2HD2 ASN 79 -3.011 6.870 12.000
310 H THR 80 HN THR 80 -0.566 2.566 9.549
311 HA THR 80 HA THR 80 1.075 4.748 9.165
312 HB THR 80 HB THR 80 1.855 2.213 7.806
313 HG1 THR 80 1HG THR 80 1.159 2.470 10.528
314 HG21 THR 80 3HG2 THR 80 3.279 4.349 8.337
315 HG22 THR 80 1HG2 THR 80 3.980 2.743 8.534
316 HG23 THR 80 2HG2 THR 80 3.393 3.627 9.942
317 H VAL 81 HN VAL 81 -0.091 2.519 6.632
318 HA VAL 81 HA VAL 81 0.996 3.769 4.427
319 HB VAL 81 HB VAL 81 -1.724 2.458 4.530
320 HG11 VAL 81 1HG1 VAL 81 0.189 3.015 2.272
321 HG12 VAL 81 2HG1 VAL 81 -1.173 1.902 2.146
322 HG13 VAL 81 3HG1 VAL 81 -1.457 3.614 2.464
323 HG21 VAL 81 3HG2 VAL 81 0.845 1.366 5.046
324 HG22 VAL 81 1HG2 VAL 81 -0.703 0.529 4.932
325 HG23 VAL 81 2HG2 VAL 81 0.291 0.745 3.491
326 H LEU 82 HN LEU 82 -2.268 4.299 5.764
327 HA LEU 82 HA LEU 82 -3.069 6.321 4.045
328 HB2 LEU 82 3HB LEU 82 -3.754 6.096 6.980
329 HB3 LEU 82 2HB LEU 82 -4.685 6.941 5.731
330 HG LEU 82 HG LEU 82 -4.227 4.032 5.352
331 HD11 LEU 82 1HD1 LEU 82 -6.591 4.616 6.957
332 HD12 LEU 82 2HD1 LEU 82 -5.073 4.856 7.821
333 HD13 LEU 82 3HD1 LEU 82 -5.429 3.295 7.082
334 HD21 LEU 82 3HD2 LEU 82 -5.621 5.903 3.998
335 HD22 LEU 82 1HD2 LEU 82 -6.876 5.289 5.075
336 HD23 LEU 82 2HD2 LEU 82 -6.021 4.185 3.997
337 H GLY 83 HN GLY 83 -1.396 6.599 7.173
338 HA2 GLY 83 2HA GLY 83 -1.295 9.372 7.352
339 HA3 GLY 83 3HA GLY 83 -0.101 8.282 8.042
340 H GLU 84 HN GLU 84 1.006 7.174 5.770
341 HA GLU 84 HA GLU 84 2.937 9.031 5.056
342 HB2 GLU 84 3HB GLU 84 2.013 6.574 3.548
343 HB3 GLU 84 2HB GLU 84 3.505 7.463 3.209
344 HG2 GLU 84 3HG GLU 84 2.968 6.354 5.943
345 HG3 GLU 84 2HG GLU 84 3.627 5.339 4.652
346 HE2 GLU 84 HE GLU 84 6.585 6.556 6.095
347 H LEU 85 HN LEU 85 -0.085 8.195 3.438
348 HA LEU 85 HA LEU 85 0.425 9.901 1.180
349 HB2 LEU 85 3HB LEU 85 -2.216 8.732 2.062
350 HB3 LEU 85 2HB LEU 85 -1.773 9.311 0.447
351 HG LEU 85 HG LEU 85 -0.481 6.925 1.759
352 HD11 LEU 85 1HD1 LEU 85 -3.115 7.054 0.989
353 HD12 LEU 85 2HD1 LEU 85 -2.144 5.587 1.113
354 HD13 LEU 85 3HD1 LEU 85 -2.314 6.404 -0.441
355 HD21 LEU 85 3HD2 LEU 85 0.943 7.609 0.075
356 HD22 LEU 85 1HD2 LEU 85 -0.371 8.201 -0.942
357 HD23 LEU 85 2HD2 LEU 85 -0.100 6.466 -0.772
358 H VAL 86 HN VAL 86 -1.153 10.189 4.273
359 HA VAL 86 HA VAL 86 -2.582 12.592 3.667
360 HB VAL 86 HB VAL 86 -1.825 11.422 6.347
361 HG11 VAL 86 1HG1 VAL 86 -3.579 13.719 5.555
362 HG12 VAL 86 2HG1 VAL 86 -3.861 12.829 7.053
363 HG13 VAL 86 3HG1 VAL 86 -2.323 13.655 6.791
364 HG21 VAL 86 3HG2 VAL 86 -3.519 9.992 6.130
365 HG22 VAL 86 1HG2 VAL 86 -4.613 11.273 5.607
366 HG23 VAL 86 2HG2 VAL 86 -3.592 10.449 4.429
367 H LYS 87 HN LYS 87 0.615 11.824 4.809
368 HA LYS 87 HA LYS 87 1.155 14.631 5.443
369 HB2 LYS 87 3HB LYS 87 2.447 12.026 6.092
370 HB3 LYS 87 2HB LYS 87 3.489 13.454 5.989
371 HG2 LYS 87 3HG LYS 87 1.601 14.484 7.551
372 HG3 LYS 87 2HG LYS 87 1.393 12.774 7.969
373 HD2 LYS 87 3HD LYS 87 4.052 14.212 8.032
374 HD3 LYS 87 2HD LYS 87 2.994 14.014 9.440
375 HE2 LYS 87 3HE LYS 87 3.719 11.577 7.872
376 HE3 LYS 87 2HE LYS 87 4.947 12.306 8.917
377 HZ1 LYS 87 3HZ LYS 87 4.011 11.253 10.607
378 HZ2 LYS 87 1HZ LYS 87 2.734 10.705 9.641
379 HZ3 LYS 87 2HZ LYS 87 2.625 12.205 10.415
380 H HIS 88 HN HIS 88 1.846 12.170 3.086
381 HA HIS 88 HA HIS 88 3.643 14.034 1.681
382 HB2 HIS 88 3HB HIS 88 4.520 11.739 2.413
383 HB3 HIS 88 2HB HIS 88 3.470 11.069 1.162
384 HD1 HIS 88 1HD HIS 88 5.946 13.971 1.144
385 HD2 HIS 88 2HD HIS 88 4.964 10.563 -1.020
386 HE1 HIS 88 1HE HIS 88 7.530 13.934 -0.809
387 HE2 HIS 88 2HE HIS 88 6.932 11.850 -2.131
388 H GLY 89 HN GLY 89 1.165 14.752 1.292
389 HA2 GLY 89 2HA GLY 89 -0.018 13.328 -0.951
390 HA3 GLY 89 3HA GLY 89 -0.690 14.731 -0.134
Start of MODEL 13
1 H1 GLY 41 HN GLY 41 -3.652 -19.244 -15.916
2 HA2 GLY 41 2HA GLY 41 -2.801 -16.449 -15.626
3 HA3 GLY 41 3HA GLY 41 -4.421 -17.065 -15.338
4 HA PRO 42 HA PRO 42 -2.131 -16.487 -11.286
5 HB2 PRO 42 3HB PRO 42 -3.926 -14.736 -10.182
6 HB3 PRO 42 2HB PRO 42 -2.557 -14.232 -11.174
7 HG2 PRO 42 3HG PRO 42 -5.425 -14.640 -11.955
8 HG3 PRO 42 2HG PRO 42 -4.313 -13.282 -12.366
9 HD2 PRO 42 3HD PRO 42 -4.881 -15.288 -14.104
10 HD3 PRO 42 2HD PRO 42 -3.300 -14.490 -14.047
11 H HIS 43 HN HIS 43 -3.082 -16.857 -9.069
12 HA HIS 43 HA HIS 43 -5.510 -18.513 -9.185
13 HB2 HIS 43 3HB HIS 43 -2.901 -19.183 -7.803
14 HB3 HIS 43 2HB HIS 43 -4.411 -20.059 -7.537
15 HD1 HIS 43 1HD HIS 43 -2.144 -19.202 -10.470
16 HD2 HIS 43 2HD HIS 43 -4.760 -22.167 -9.197
17 HE1 HIS 43 1HE HIS 43 -2.000 -21.016 -12.206
18 HE2 HIS 43 2HE HIS 43 -3.601 -22.827 -11.431
19 H MET 44 HN MET 44 -3.176 -17.311 -6.763
20 HA MET 44 HA MET 44 -5.470 -16.303 -5.213
21 HB2 MET 44 3HB MET 44 -4.150 -16.683 -3.179
22 HB3 MET 44 2HB MET 44 -4.401 -18.183 -4.083
23 HG2 MET 44 3HG MET 44 -2.086 -17.677 -5.129
24 HG3 MET 44 2HG MET 44 -1.899 -16.586 -3.754
25 HE1 MET 44 3HE MET 44 -0.945 -20.907 -3.806
26 HE2 MET 44 1HE MET 44 -2.125 -20.287 -4.960
27 HE3 MET 44 2HE MET 44 -0.521 -19.559 -4.863
28 H THR 45 HN THR 45 -5.253 -14.310 -4.169
29 HA THR 45 HA THR 45 -3.366 -12.510 -5.447
30 HB THR 45 HB THR 45 -5.617 -11.930 -3.512
31 HG1 THR 45 1HG THR 45 -5.519 -11.335 -6.286
32 HG21 THR 45 3HG2 THR 45 -5.233 -9.589 -4.684
33 HG22 THR 45 1HG2 THR 45 -3.589 -10.205 -4.846
34 HG23 THR 45 2HG2 THR 45 -4.321 -10.058 -3.249
35 H SER 46 HN SER 46 -1.415 -12.255 -4.589
36 HA SER 46 HA SER 46 -0.685 -13.021 -1.987
37 HB2 SER 46 1HB SER 46 0.836 -10.954 -3.573
38 HB3 SER 46 2HB SER 46 1.464 -12.212 -2.494
39 HG SER 46 HG SER 46 1.708 -12.669 -4.773
40 H GLU 47 HN GLU 47 -0.634 -11.975 -0.081
41 HA GLU 47 HA GLU 47 -2.232 -9.788 0.446
42 HB2 GLU 47 3HB GLU 47 0.036 -11.088 1.907
43 HB3 GLU 47 2HB GLU 47 -0.636 -9.575 2.529
44 HG2 GLU 47 3HG GLU 47 -1.574 -11.713 3.502
45 HG3 GLU 47 2HG GLU 47 -2.742 -10.525 2.907
46 HE2 GLU 47 HE GLU 47 -2.434 -13.979 0.987
47 H LEU 48 HN LEU 48 1.170 -9.887 -0.431
48 HA LEU 48 HA LEU 48 1.758 -7.176 0.124
49 HB2 LEU 48 3HB LEU 48 3.701 -7.526 -1.392
50 HB3 LEU 48 2HB LEU 48 3.548 -8.731 -0.102
51 HG LEU 48 HG LEU 48 2.296 -10.069 -2.037
52 HD11 LEU 48 1HD1 LEU 48 4.414 -8.853 -3.705
53 HD12 LEU 48 2HD1 LEU 48 2.928 -7.928 -3.492
54 HD13 LEU 48 3HD1 LEU 48 2.864 -9.556 -4.168
55 HD21 LEU 48 3HD2 LEU 48 4.380 -11.241 -2.436
56 HD22 LEU 48 1HD2 LEU 48 4.242 -10.813 -0.731
57 HD23 LEU 48 2HD2 LEU 48 5.296 -9.878 -1.792
58 H GLN 49 HN GLN 49 0.412 -8.823 -2.663
59 HA GLN 49 HA GLN 49 0.623 -6.574 -4.422
60 HB2 GLN 49 3HB GLN 49 -0.606 -9.284 -4.520
61 HB3 GLN 49 2HB GLN 49 -1.241 -8.060 -5.630
62 HG2 GLN 49 3HG GLN 49 1.709 -8.522 -5.449
63 HG3 GLN 49 2HG GLN 49 0.686 -9.615 -6.391
64 HE21 GLN 49 1HE2 GLN 49 2.016 -6.430 -6.156
65 HE22 GLN 49 2HE2 GLN 49 1.570 -5.899 -7.738
66 H MET 50 HN MET 50 -1.949 -7.982 -2.441
67 HA MET 50 HA MET 50 -4.028 -6.297 -3.300
68 HB2 MET 50 3HB MET 50 -4.208 -8.440 -1.942
69 HB3 MET 50 2HB MET 50 -3.780 -7.463 -0.531
70 HG2 MET 50 3HG MET 50 -5.749 -6.004 -1.007
71 HG3 MET 50 2HG MET 50 -6.199 -7.134 -2.285
72 HE1 MET 50 3HE MET 50 -5.914 -9.609 -1.823
73 HE2 MET 50 1HE MET 50 -5.564 -10.229 -0.209
74 HE3 MET 50 2HE MET 50 -7.217 -10.250 -0.822
75 H LYS 51 HN LYS 51 -1.595 -5.942 -0.777
76 HA LYS 51 HA LYS 51 -2.584 -3.760 0.599
77 HB2 LYS 51 3HB LYS 51 0.038 -4.992 0.171
78 HB3 LYS 51 2HB LYS 51 0.126 -3.255 0.502
79 HG2 LYS 51 3HG LYS 51 -1.561 -3.929 2.450
80 HG3 LYS 51 2HG LYS 51 -0.722 -5.480 2.260
81 HD2 LYS 51 3HD LYS 51 0.770 -4.586 3.697
82 HD3 LYS 51 2HD LYS 51 1.380 -3.769 2.248
83 HE2 LYS 51 3HE LYS 51 1.142 -2.036 3.807
84 HE3 LYS 51 2HE LYS 51 -0.309 -1.922 2.800
85 HZ1 LYS 51 3HZ LYS 51 -0.271 -2.074 5.510
86 HZ2 LYS 51 1HZ LYS 51 -0.661 -3.657 5.056
87 HZ3 LYS 51 2HZ LYS 51 -1.618 -2.365 4.528
88 H VAL 52 HN VAL 52 -0.756 -3.828 -2.426
89 HA VAL 52 HA VAL 52 -0.812 -0.935 -2.648
90 HB VAL 52 HB VAL 52 0.121 -2.926 -4.715
91 HG11 VAL 52 1HG1 VAL 52 1.471 -0.370 -4.604
92 HG12 VAL 52 2HG1 VAL 52 0.688 -1.173 -5.966
93 HG13 VAL 52 3HG1 VAL 52 -0.263 -0.180 -4.861
94 HG21 VAL 52 3HG2 VAL 52 1.418 -1.910 -2.247
95 HG22 VAL 52 1HG2 VAL 52 1.582 -3.469 -3.055
96 HG23 VAL 52 2HG2 VAL 52 2.415 -2.054 -3.695
97 H ASP 53 HN ASP 53 -2.109 -3.708 -4.465
98 HA ASP 53 HA ASP 53 -3.504 -2.355 -6.422
99 HB2 ASP 53 3HB ASP 53 -3.178 -4.892 -6.070
100 HB3 ASP 53 2HB ASP 53 -4.644 -4.798 -5.085
101 HD2 ASP 53 HD ASP 53 -5.018 -4.825 -8.964
102 H PHE 54 HN PHE 54 -4.291 -2.776 -3.053
103 HA PHE 54 HA PHE 54 -7.022 -2.128 -3.145
104 HB2 PHE 54 3HB PHE 54 -5.956 -3.121 -1.173
105 HB3 PHE 54 2HB PHE 54 -5.019 -1.646 -0.929
106 HD1 PHE 54 1HD PHE 54 -8.433 -3.039 -0.864
107 HD2 PHE 54 2HD PHE 54 -5.924 0.241 0.166
108 HE1 PHE 54 1HE PHE 54 -10.235 -2.100 0.523
109 HE2 PHE 54 2HE PHE 54 -7.721 1.184 1.555
110 HZ PHE 54 HZ PHE 54 -9.880 0.014 1.736
111 H PHE 55 HN PHE 55 -4.508 0.019 -1.830
112 HA PHE 55 HA PHE 55 -5.979 2.362 -2.007
113 HB2 PHE 55 3HB PHE 55 -3.033 1.780 -1.921
114 HB3 PHE 55 2HB PHE 55 -3.597 3.439 -2.130
115 HD1 PHE 55 1HD PHE 55 -4.850 4.579 -0.372
116 HD2 PHE 55 2HD PHE 55 -3.295 0.657 0.191
117 HE1 PHE 55 1HE PHE 55 -5.169 4.805 2.057
118 HE2 PHE 55 2HE PHE 55 -3.612 0.877 2.621
119 HZ PHE 55 HZ PHE 55 -4.550 2.952 3.557
120 H ARG 56 HN ARG 56 -4.262 0.632 -4.466
121 HA ARG 56 HA ARG 56 -3.840 2.663 -6.338
122 HB2 ARG 56 3HB ARG 56 -4.248 -0.305 -6.544
123 HB3 ARG 56 2HB ARG 56 -4.123 0.680 -8.008
124 HG2 ARG 56 3HG ARG 56 -2.007 1.223 -6.063
125 HG3 ARG 56 2HG ARG 56 -2.024 -0.442 -6.668
126 HD2 ARG 56 3HD ARG 56 -2.282 1.837 -8.601
127 HD3 ARG 56 2HD ARG 56 -0.694 1.410 -7.945
128 HE ARG 56 HE ARG 56 -1.664 -0.966 -8.813
129 HH11 ARG 56 1HH1 ARG 56 -1.285 2.163 -10.293
130 HH12 ARG 56 2HH1 ARG 56 -1.053 1.526 -11.887
131 HH21 ARG 56 1HH2 ARG 56 -1.360 -1.817 -10.908
132 HH22 ARG 56 2HH2 ARG 56 -1.096 -0.738 -12.236
133 H LYS 57 HN LYS 57 -6.732 1.008 -5.387
134 HA LYS 57 HA LYS 57 -8.222 2.031 -7.681
135 HB2 LYS 57 3HB LYS 57 -9.912 0.539 -7.152
136 HB3 LYS 57 2HB LYS 57 -8.467 -0.337 -6.620
137 HG2 LYS 57 3HG LYS 57 -9.076 0.978 -4.344
138 HG3 LYS 57 2HG LYS 57 -10.691 0.774 -5.047
139 HD2 LYS 57 3HD LYS 57 -10.362 -1.625 -5.231
140 HD3 LYS 57 2HD LYS 57 -8.700 -1.458 -4.637
141 HE2 LYS 57 3HE LYS 57 -10.112 -2.213 -2.825
142 HE3 LYS 57 2HE LYS 57 -9.581 -0.556 -2.510
143 HZ1 LYS 57 3HZ LYS 57 -12.143 -1.420 -2.421
144 HZ2 LYS 57 1HZ LYS 57 -12.066 -0.697 -3.950
145 HZ3 LYS 57 2HZ LYS 57 -11.665 0.196 -2.571
146 H LEU 58 HN LEU 58 -7.601 2.739 -4.372
147 HA LEU 58 HA LEU 58 -9.921 4.151 -3.685
148 HB2 LEU 58 3HB LEU 58 -7.116 4.044 -2.732
149 HB3 LEU 58 2HB LEU 58 -8.060 5.475 -2.279
150 HG LEU 58 HG LEU 58 -8.041 3.679 -0.559
151 HD11 LEU 58 1HD1 LEU 58 -10.430 3.774 -0.098
152 HD12 LEU 58 2HD1 LEU 58 -10.739 4.305 -1.751
153 HD13 LEU 58 3HD1 LEU 58 -9.831 5.340 -0.649
154 HD21 LEU 58 3HD2 LEU 58 -9.115 1.620 -0.883
155 HD22 LEU 58 1HD2 LEU 58 -8.117 1.837 -2.321
156 HD23 LEU 58 2HD2 LEU 58 -9.852 2.144 -2.399
157 H GLY 59 HN GLY 59 -7.387 4.925 -5.857
158 HA2 GLY 59 2HA GLY 59 -7.864 6.711 -7.457
159 HA3 GLY 59 3HA GLY 59 -8.478 7.658 -6.110
160 H TYR 60 HN TYR 60 -5.639 5.821 -5.527
161 HA TYR 60 HA TYR 60 -4.100 8.293 -5.332
162 HB2 TYR 60 3HB TYR 60 -3.790 5.514 -4.235
163 HB3 TYR 60 2HB TYR 60 -2.392 6.590 -4.309
164 HD1 TYR 60 2HD TYR 60 -2.563 8.874 -3.168
165 HD2 TYR 60 1HD TYR 60 -5.310 5.706 -2.448
166 HE1 TYR 60 2HE TYR 60 -3.240 9.947 -1.061
167 HE2 TYR 60 1HE TYR 60 -5.995 6.771 -0.339
168 HH TYR 60 HH TYR 60 -4.614 8.578 1.344
169 H SER 61 HN SER 61 -1.594 7.749 -5.761
170 HA SER 61 HA SER 61 -1.499 6.976 -8.587
171 HB2 SER 61 1HB SER 61 -0.568 9.224 -7.446
172 HB3 SER 61 2HB SER 61 0.869 8.199 -7.268
173 HG SER 61 HG SER 61 0.202 9.505 -9.392
174 H SER 62 HN SER 62 -0.261 5.332 -9.333
175 HA SER 62 HA SER 62 0.411 3.203 -7.685
176 HB2 SER 62 1HB SER 62 1.121 2.126 -9.587
177 HB3 SER 62 2HB SER 62 0.197 3.443 -10.328
178 HG SER 62 HG SER 62 2.973 3.109 -10.138
179 H SER 63 HN SER 63 2.454 5.806 -8.940
180 HA SER 63 HA SER 63 4.901 4.827 -7.944
181 HB2 SER 63 1HB SER 63 3.983 7.629 -8.640
182 HB3 SER 63 2HB SER 63 5.648 7.236 -8.176
183 HG SER 63 HG SER 63 4.229 6.144 -10.380
184 H GLU 64 HN GLU 64 2.267 6.499 -6.443
185 HA GLU 64 HA GLU 64 3.763 7.384 -4.152
186 HB2 GLU 64 3HB GLU 64 0.786 7.196 -4.672
187 HB3 GLU 64 2HB GLU 64 1.505 7.913 -3.221
188 HG2 GLU 64 3HG GLU 64 2.490 8.966 -5.799
189 HG3 GLU 64 2HG GLU 64 0.804 9.321 -5.397
190 HE2 GLU 64 HE GLU 64 2.033 11.964 -3.584
191 H ILE 65 HN ILE 65 1.226 4.927 -4.650
192 HA ILE 65 HA ILE 65 1.410 3.804 -2.077
193 HB ILE 65 HB ILE 65 0.486 2.493 -4.636
194 HG12 ILE 65 1HG1 ILE 65 -1.264 3.639 -2.472
195 HG13 ILE 65 2HG1 ILE 65 -0.645 4.663 -3.777
196 HG21 ILE 65 1HG2 ILE 65 -0.789 1.007 -3.105
197 HG22 ILE 65 2HG2 ILE 65 0.959 0.813 -2.991
198 HG23 ILE 65 3HG2 ILE 65 0.091 1.718 -1.752
199 HD11 ILE 65 3HD1 ILE 65 -2.187 2.144 -4.308
200 HD12 ILE 65 1HD1 ILE 65 -2.956 3.720 -4.112
201 HD13 ILE 65 2HD1 ILE 65 -1.810 3.454 -5.426
202 H HIS 66 HN HIS 66 3.141 3.162 -5.062
203 HA HIS 66 HA HIS 66 4.407 0.774 -4.116
204 HB2 HIS 66 3HB HIS 66 3.984 1.530 -6.559
205 HB3 HIS 66 2HB HIS 66 5.458 2.481 -6.357
206 HD1 HIS 66 1HD HIS 66 7.615 1.315 -6.774
207 HD2 HIS 66 2HD HIS 66 4.490 -1.349 -6.141
208 HE1 HIS 66 1HE HIS 66 8.574 -0.965 -7.223
209 HE2 HIS 66 2HE HIS 66 6.665 -2.593 -6.837
210 H SER 67 HN SER 67 5.063 4.170 -3.927
211 HA SER 67 HA SER 67 7.849 3.898 -3.293
212 HB2 SER 67 1HB SER 67 7.201 5.964 -4.290
213 HB3 SER 67 2HB SER 67 5.903 6.200 -3.107
214 HG SER 67 HG SER 67 8.344 7.110 -2.944
215 H VAL 68 HN VAL 68 4.985 4.842 -1.389
216 HA VAL 68 HA VAL 68 6.215 4.956 1.103
217 HB VAL 68 HB VAL 68 3.974 4.597 2.072
218 HG11 VAL 68 1HG1 VAL 68 3.861 6.413 -0.330
219 HG12 VAL 68 2HG1 VAL 68 2.952 6.569 1.174
220 HG13 VAL 68 3HG1 VAL 68 4.700 6.803 1.170
221 HG21 VAL 68 3HG2 VAL 68 2.207 4.561 0.007
222 HG22 VAL 68 1HG2 VAL 68 3.474 3.496 -0.601
223 HG23 VAL 68 2HG2 VAL 68 2.688 3.143 0.938
224 H LEU 69 HN LEU 69 4.944 2.205 -0.676
225 HA LEU 69 HA LEU 69 5.212 0.365 1.508
226 HB2 LEU 69 3HB LEU 69 4.419 0.251 -1.340
227 HB3 LEU 69 2HB LEU 69 5.110 -1.233 -0.658
228 HG LEU 69 HG LEU 69 2.616 -1.125 -0.622
229 HD11 LEU 69 1HD1 LEU 69 4.314 -2.229 1.154
230 HD12 LEU 69 2HD1 LEU 69 2.563 -2.417 1.220
231 HD13 LEU 69 3HD1 LEU 69 3.358 -1.206 2.226
232 HD21 LEU 69 3HD2 LEU 69 1.570 0.273 1.118
233 HD22 LEU 69 1HD2 LEU 69 2.320 1.229 -0.159
234 HD23 LEU 69 2HD2 LEU 69 3.126 1.054 1.400
235 H GLN 70 HN GLN 70 7.197 1.399 -1.184
236 HA GLN 70 HA GLN 70 9.092 -0.673 -1.138
237 HB2 GLN 70 3HB GLN 70 9.008 0.821 -3.014
238 HB3 GLN 70 2HB GLN 70 9.324 2.218 -1.975
239 HG2 GLN 70 3HG GLN 70 11.566 1.319 -1.470
240 HG3 GLN 70 2HG GLN 70 11.246 -0.014 -2.587
241 HE21 GLN 70 1HE2 GLN 70 13.313 1.010 -3.432
242 HE22 GLN 70 2HE2 GLN 70 13.122 2.214 -4.657
243 H LYS 71 HN LYS 71 8.610 2.069 0.923
244 HA LYS 71 HA LYS 71 11.227 1.714 2.183
245 HB2 LYS 71 3HB LYS 71 10.377 4.004 1.595
246 HB3 LYS 71 2HB LYS 71 9.112 3.776 2.814
247 HG2 LYS 71 3HG LYS 71 10.643 4.930 4.048
248 HG3 LYS 71 2HG LYS 71 11.159 3.267 4.380
249 HD2 LYS 71 3HD LYS 71 12.953 3.400 2.830
250 HD3 LYS 71 2HD LYS 71 12.324 4.906 2.140
251 HE2 LYS 71 3HE LYS 71 13.962 5.777 3.480
252 HE3 LYS 71 2HE LYS 71 12.614 5.754 4.628
253 HZ1 LYS 71 3HZ LYS 71 14.041 4.633 5.913
254 HZ2 LYS 71 1HZ LYS 71 15.048 4.203 4.623
255 HZ3 LYS 71 2HZ LYS 71 13.657 3.298 4.947
256 H LEU 72 HN LEU 72 7.786 1.835 3.087
257 HA LEU 72 HA LEU 72 8.142 1.064 5.767
258 HB2 LEU 72 3HB LEU 72 5.866 1.157 3.851
259 HB3 LEU 72 2HB LEU 72 5.671 0.183 5.320
260 HG LEU 72 HG LEU 72 5.989 2.116 6.715
261 HD11 LEU 72 1HD1 LEU 72 7.480 3.580 5.862
262 HD12 LEU 72 2HD1 LEU 72 6.022 4.365 5.257
263 HD13 LEU 72 3HD1 LEU 72 6.961 3.313 4.198
264 HD21 LEU 72 3HD2 LEU 72 3.941 2.041 4.625
265 HD22 LEU 72 1HD2 LEU 72 4.162 3.625 5.367
266 HD23 LEU 72 2HD2 LEU 72 3.778 2.228 6.372
267 H GLY 73 HN GLY 73 7.064 -0.893 2.979
268 HA2 GLY 73 2HA GLY 73 7.803 -3.080 2.499
269 HA3 GLY 73 3HA GLY 73 8.439 -3.200 4.133
270 H VAL 74 HN VAL 74 7.473 -4.999 4.887
271 HA VAL 74 HA VAL 74 4.585 -5.320 4.528
272 HB VAL 74 HB VAL 74 6.545 -7.277 5.731
273 HG11 VAL 74 1HG1 VAL 74 4.657 -8.278 6.386
274 HG12 VAL 74 2HG1 VAL 74 3.653 -7.245 5.366
275 HG13 VAL 74 3HG1 VAL 74 4.425 -8.677 4.684
276 HG21 VAL 74 3HG2 VAL 74 6.469 -8.429 3.570
277 HG22 VAL 74 1HG2 VAL 74 5.472 -7.130 2.914
278 HG23 VAL 74 2HG2 VAL 74 7.132 -6.803 3.411
279 H GLN 75 HN GLN 75 6.938 -4.487 6.902
280 HA GLN 75 HA GLN 75 5.492 -5.169 9.233
281 HB2 GLN 75 3HB GLN 75 7.493 -2.920 8.929
282 HB3 GLN 75 2HB GLN 75 7.053 -3.772 10.419
283 HG2 GLN 75 3HG GLN 75 7.895 -5.878 9.064
284 HG3 GLN 75 2HG GLN 75 8.808 -4.640 8.189
285 HE21 GLN 75 1HE2 GLN 75 9.648 -6.810 10.034
286 HE22 GLN 75 2HE2 GLN 75 10.599 -6.027 11.246
287 H ALA 76 HN ALA 76 5.082 -2.695 6.922
288 HA ALA 76 HA ALA 76 4.063 -0.567 8.351
289 HB1 ALA 76 1HB ALA 76 4.276 -1.197 5.702
290 HB2 ALA 76 2HB ALA 76 2.528 -1.168 5.936
291 HB3 ALA 76 3HB ALA 76 3.495 0.249 6.345
292 H ASP 77 HN ASP 77 1.692 0.106 8.371
293 HA ASP 77 HA ASP 77 -0.038 -2.164 9.078
294 HB2 ASP 77 3HB ASP 77 -0.233 0.401 10.619
295 HB3 ASP 77 2HB ASP 77 -0.684 -1.240 11.104
296 HD2 ASP 77 HD ASP 77 2.683 -0.009 12.359
297 H THR 78 HN THR 78 -2.359 -1.008 9.614
298 HA THR 78 HA THR 78 -3.269 -0.132 7.061
299 HB THR 78 HB THR 78 -4.836 -0.009 9.637
300 HG1 THR 78 1HG THR 78 -5.382 -2.157 9.252
301 HG21 THR 78 3HG2 THR 78 -5.942 -0.704 6.951
302 HG22 THR 78 1HG2 THR 78 -5.620 0.985 7.340
303 HG23 THR 78 2HG2 THR 78 -6.738 0.049 8.332
304 H ASN 79 HN ASN 79 -2.395 1.467 10.036
305 HA ASN 79 HA ASN 79 -3.529 4.004 9.211
306 HB2 ASN 79 3HB ASN 79 -1.650 3.609 11.534
307 HB3 ASN 79 2HB ASN 79 -2.923 4.818 11.338
308 HD21 ASN 79 1HD2 ASN 79 -2.181 2.289 13.116
309 HD22 ASN 79 2HD2 ASN 79 -3.741 1.608 13.407
310 H THR 80 HN THR 80 -0.349 2.504 9.515
311 HA THR 80 HA THR 80 1.287 4.691 9.071
312 HB THR 80 HB THR 80 2.001 2.130 7.719
313 HG1 THR 80 1HG THR 80 2.491 1.255 9.826
314 HG21 THR 80 3HG2 THR 80 3.647 3.574 9.746
315 HG22 THR 80 1HG2 THR 80 3.450 4.279 8.143
316 HG23 THR 80 2HG2 THR 80 4.157 2.673 8.319
317 H VAL 81 HN VAL 81 0.009 2.443 6.612
318 HA VAL 81 HA VAL 81 1.018 3.652 4.349
319 HB VAL 81 HB VAL 81 -1.722 2.399 4.558
320 HG11 VAL 81 1HG1 VAL 81 -1.146 1.735 2.170
321 HG12 VAL 81 2HG1 VAL 81 -1.534 3.433 2.451
322 HG13 VAL 81 3HG1 VAL 81 0.147 2.930 2.264
323 HG21 VAL 81 3HG2 VAL 81 0.830 1.251 5.048
324 HG22 VAL 81 1HG2 VAL 81 -0.744 0.457 5.002
325 HG23 VAL 81 2HG2 VAL 81 0.215 0.600 3.529
326 H LEU 82 HN LEU 82 -2.145 4.274 5.871
327 HA LEU 82 HA LEU 82 -2.990 6.288 4.138
328 HB2 LEU 82 3HB LEU 82 -3.586 6.005 7.088
329 HB3 LEU 82 2HB LEU 82 -4.511 6.967 5.923
330 HG LEU 82 HG LEU 82 -4.207 4.010 5.547
331 HD11 LEU 82 1HD1 LEU 82 -5.157 4.895 7.888
332 HD12 LEU 82 2HD1 LEU 82 -5.783 3.463 7.071
333 HD13 LEU 82 3HD1 LEU 82 -6.626 5.004 6.918
334 HD21 LEU 82 3HD2 LEU 82 -6.603 5.668 4.900
335 HD22 LEU 82 1HD2 LEU 82 -6.005 4.202 4.123
336 HD23 LEU 82 2HD2 LEU 82 -5.184 5.740 3.855
337 H GLY 83 HN GLY 83 -1.322 6.591 7.275
338 HA2 GLY 83 2HA GLY 83 -1.143 9.344 7.421
339 HA3 GLY 83 3HA GLY 83 0.054 8.242 8.085
340 H GLU 84 HN GLU 84 1.015 7.110 5.711
341 HA GLU 84 HA GLU 84 2.986 8.931 4.972
342 HB2 GLU 84 3HB GLU 84 1.954 6.458 3.574
343 HB3 GLU 84 2HB GLU 84 3.378 7.359 3.030
344 HG2 GLU 84 3HG GLU 84 3.092 6.147 5.777
345 HG3 GLU 84 2HG GLU 84 3.897 5.360 4.410
346 HE2 GLU 84 HE GLU 84 5.911 7.955 6.486
347 H LEU 85 HN LEU 85 -0.141 8.243 3.522
348 HA LEU 85 HA LEU 85 0.356 9.983 1.261
349 HB2 LEU 85 3HB LEU 85 -2.293 8.805 2.079
350 HB3 LEU 85 2HB LEU 85 -1.775 9.340 0.471
351 HG LEU 85 HG LEU 85 -0.491 6.998 1.853
352 HD11 LEU 85 1HD1 LEU 85 -2.037 5.518 0.979
353 HD12 LEU 85 2HD1 LEU 85 -2.663 6.690 -0.180
354 HD13 LEU 85 3HD1 LEU 85 -3.057 6.846 1.532
355 HD21 LEU 85 3HD2 LEU 85 0.515 6.570 -0.146
356 HD22 LEU 85 1HD2 LEU 85 0.373 8.324 -0.275
357 HD23 LEU 85 2HD2 LEU 85 -0.796 7.283 -1.087
358 H VAL 86 HN VAL 86 -1.176 10.134 4.381
359 HA VAL 86 HA VAL 86 -2.808 12.388 3.989
360 HB VAL 86 HB VAL 86 -1.431 11.479 6.521
361 HG11 VAL 86 1HG1 VAL 86 -2.099 13.580 7.117
362 HG12 VAL 86 2HG1 VAL 86 -3.416 13.615 5.944
363 HG13 VAL 86 3HG1 VAL 86 -3.590 12.694 7.439
364 HG21 VAL 86 3HG2 VAL 86 -4.155 10.892 6.624
365 HG22 VAL 86 1HG2 VAL 86 -3.642 10.414 5.006
366 HG23 VAL 86 2HG2 VAL 86 -2.827 9.749 6.421
367 H LYS 87 HN LYS 87 0.611 12.058 4.407
368 HA LYS 87 HA LYS 87 0.867 14.992 4.564
369 HB2 LYS 87 3HB LYS 87 2.601 12.790 5.680
370 HB3 LYS 87 2HB LYS 87 3.202 14.443 5.470
371 HG2 LYS 87 3HG LYS 87 0.641 14.311 6.874
372 HG3 LYS 87 2HG LYS 87 1.963 13.470 7.705
373 HD2 LYS 87 3HD LYS 87 2.305 16.262 6.627
374 HD3 LYS 87 2HD LYS 87 1.616 15.956 8.231
375 HE2 LYS 87 3HE LYS 87 4.244 14.741 7.405
376 HE3 LYS 87 2HE LYS 87 4.146 16.385 8.053
377 HZ1 LYS 87 3HZ LYS 87 3.908 15.611 10.107
378 HZ2 LYS 87 1HZ LYS 87 4.317 14.080 9.512
379 HZ3 LYS 87 2HZ LYS 87 2.691 14.524 9.656
380 H HIS 88 HN HIS 88 2.466 12.063 3.320
381 HA HIS 88 HA HIS 88 3.585 13.698 1.143
382 HB2 HIS 88 3HB HIS 88 5.105 12.361 2.754
383 HB3 HIS 88 2HB HIS 88 4.545 10.940 1.867
384 HD1 HIS 88 1HD HIS 88 4.641 11.815 -0.998
385 HD2 HIS 88 2HD HIS 88 7.584 12.837 1.750
386 HE1 HIS 88 1HE HIS 88 6.688 12.328 -2.365
387 HE2 HIS 88 2HE HIS 88 8.488 12.954 -0.686
388 H GLY 89 HN GLY 89 1.131 13.300 0.526
389 HA2 GLY 89 2HA GLY 89 1.208 11.181 -1.495
390 HA3 GLY 89 3HA GLY 89 -0.122 11.162 -0.347
Start of MODEL 14
1 H1 GLY 41 HN GLY 41 -12.255 -23.111 -0.076
2 HA2 GLY 41 2HA GLY 41 -11.188 -25.002 1.905
3 HA3 GLY 41 3HA GLY 41 -10.584 -25.067 0.256
4 HA PRO 42 HA PRO 42 -8.172 -21.994 2.929
5 HB2 PRO 42 3HB PRO 42 -5.815 -23.385 3.032
6 HB3 PRO 42 2HB PRO 42 -7.104 -23.566 4.220
7 HG2 PRO 42 3HG PRO 42 -6.483 -25.252 1.818
8 HG3 PRO 42 2HG PRO 42 -6.888 -25.766 3.499
9 HD2 PRO 42 3HD PRO 42 -8.700 -25.808 1.475
10 HD3 PRO 42 2HD PRO 42 -9.146 -25.454 3.153
11 H HIS 43 HN HIS 43 -8.138 -20.571 1.196
12 HA HIS 43 HA HIS 43 -6.212 -21.134 -0.953
13 HB2 HIS 43 3HB HIS 43 -7.371 -19.223 -2.133
14 HB3 HIS 43 2HB HIS 43 -8.356 -20.666 -1.874
15 HD1 HIS 43 1HD HIS 43 -10.629 -20.184 -1.056
16 HD2 HIS 43 2HD HIS 43 -7.916 -17.276 0.148
17 HE1 HIS 43 1HE HIS 43 -11.982 -18.484 0.210
18 HE2 HIS 43 2HE HIS 43 -10.325 -16.706 0.945
19 H MET 44 HN MET 44 -4.956 -19.262 -1.757
20 HA MET 44 HA MET 44 -4.331 -17.339 0.383
21 HB2 MET 44 3HB MET 44 -1.956 -17.519 -0.150
22 HB3 MET 44 2HB MET 44 -2.613 -19.092 0.332
23 HG2 MET 44 3HG MET 44 -2.534 -18.428 -2.573
24 HG3 MET 44 2HG MET 44 -1.024 -18.835 -1.750
25 HE1 MET 44 3HE MET 44 -0.778 -22.184 -2.601
26 HE2 MET 44 1HE MET 44 -0.116 -20.655 -2.020
27 HE3 MET 44 2HE MET 44 -0.665 -21.870 -0.868
28 H THR 45 HN THR 45 -2.652 -15.659 -0.687
29 HA THR 45 HA THR 45 -3.067 -14.989 -3.411
30 HB THR 45 HB THR 45 -5.319 -14.400 -2.524
31 HG1 THR 45 1HG THR 45 -5.282 -12.278 -3.457
32 HG21 THR 45 3HG2 THR 45 -4.486 -13.702 -0.261
33 HG22 THR 45 1HG2 THR 45 -5.614 -12.573 -1.009
34 HG23 THR 45 2HG2 THR 45 -3.885 -12.222 -1.006
35 H SER 46 HN SER 46 -1.971 -13.035 -4.034
36 HA SER 46 HA SER 46 0.376 -12.561 -2.490
37 HB2 SER 46 1HB SER 46 -0.687 -11.098 -4.928
38 HB3 SER 46 2HB SER 46 0.950 -10.941 -4.264
39 HG SER 46 HG SER 46 0.910 -12.438 -5.975
40 H GLU 47 HN GLU 47 -0.491 -11.794 -0.494
41 HA GLU 47 HA GLU 47 -2.170 -9.637 -0.113
42 HB2 GLU 47 3HB GLU 47 -1.385 -11.135 1.683
43 HB3 GLU 47 2HB GLU 47 0.217 -10.387 1.584
44 HG2 GLU 47 3HG GLU 47 -0.686 -8.250 2.285
45 HG3 GLU 47 2HG GLU 47 -2.317 -8.934 2.308
46 HE2 GLU 47 HE GLU 47 -0.273 -10.807 5.053
47 H LEU 48 HN LEU 48 1.355 -9.628 -0.516
48 HA LEU 48 HA LEU 48 1.829 -6.922 -0.105
49 HB2 LEU 48 3HB LEU 48 3.828 -7.246 -1.565
50 HB3 LEU 48 2HB LEU 48 3.661 -8.428 -0.256
51 HG LEU 48 HG LEU 48 2.497 -9.829 -2.202
52 HD11 LEU 48 1HD1 LEU 48 4.643 -8.618 -3.834
53 HD12 LEU 48 2HD1 LEU 48 3.147 -7.697 -3.674
54 HD13 LEU 48 3HD1 LEU 48 3.108 -9.336 -4.323
55 HD21 LEU 48 3HD2 LEU 48 5.217 -9.609 -1.143
56 HD22 LEU 48 1HD2 LEU 48 5.113 -10.407 -2.712
57 HD23 LEU 48 2HD2 LEU 48 4.186 -11.027 -1.346
58 H GLN 49 HN GLN 49 0.566 -8.594 -2.905
59 HA GLN 49 HA GLN 49 0.807 -6.338 -4.666
60 HB2 GLN 49 3HB GLN 49 -0.345 -9.082 -4.822
61 HB3 GLN 49 2HB GLN 49 -0.946 -7.871 -5.965
62 HG2 GLN 49 3HG GLN 49 2.000 -8.287 -5.622
63 HG3 GLN 49 2HG GLN 49 1.043 -9.378 -6.634
64 HE21 GLN 49 1HE2 GLN 49 2.499 -6.297 -6.373
65 HE22 GLN 49 2HE2 GLN 49 2.066 -5.707 -7.937
66 H MET 50 HN MET 50 -1.851 -7.899 -2.904
67 HA MET 50 HA MET 50 -3.901 -6.207 -3.810
68 HB2 MET 50 3HB MET 50 -4.062 -8.439 -2.533
69 HB3 MET 50 2HB MET 50 -3.869 -7.458 -1.073
70 HG2 MET 50 3HG MET 50 -5.863 -6.153 -1.685
71 HG3 MET 50 2HG MET 50 -6.061 -7.169 -3.115
72 HE1 MET 50 3HE MET 50 -5.109 -10.071 -1.662
73 HE2 MET 50 1HE MET 50 -6.755 -10.686 -1.514
74 HE3 MET 50 2HE MET 50 -6.271 -9.806 -2.963
75 H LYS 51 HN LYS 51 -1.638 -5.931 -1.128
76 HA LYS 51 HA LYS 51 -2.765 -3.864 0.313
77 HB2 LYS 51 3HB LYS 51 -0.040 -4.915 -0.108
78 HB3 LYS 51 2HB LYS 51 -0.116 -3.238 0.456
79 HG2 LYS 51 3HG LYS 51 -1.846 -4.301 2.182
80 HG3 LYS 51 2HG LYS 51 -0.867 -5.740 1.846
81 HD2 LYS 51 3HD LYS 51 0.429 -4.923 3.511
82 HD3 LYS 51 2HD LYS 51 1.090 -3.924 2.205
83 HE2 LYS 51 3HE LYS 51 -0.531 -2.137 2.775
84 HE3 LYS 51 2HE LYS 51 -1.104 -3.134 4.121
85 HZ1 LYS 51 3HZ LYS 51 0.785 -1.303 4.388
86 HZ2 LYS 51 1HZ LYS 51 1.761 -2.634 4.020
87 HZ3 LYS 51 2HZ LYS 51 0.719 -2.693 5.350
88 H VAL 52 HN VAL 52 -0.901 -3.722 -2.673
89 HA VAL 52 HA VAL 52 -0.952 -0.822 -2.715
90 HB VAL 52 HB VAL 52 -0.028 -2.679 -4.907
91 HG11 VAL 52 1HG1 VAL 52 1.323 -0.131 -4.613
92 HG12 VAL 52 2HG1 VAL 52 0.569 -0.851 -6.036
93 HG13 VAL 52 3HG1 VAL 52 -0.407 0.065 -4.887
94 HG21 VAL 52 3HG2 VAL 52 1.232 -3.254 -2.960
95 HG22 VAL 52 1HG2 VAL 52 2.258 -2.248 -3.983
96 HG23 VAL 52 2HG2 VAL 52 1.488 -1.556 -2.555
97 H ASP 53 HN ASP 53 -2.272 -3.481 -4.676
98 HA ASP 53 HA ASP 53 -3.661 -2.014 -6.557
99 HB2 ASP 53 3HB ASP 53 -3.369 -4.521 -6.484
100 HB3 ASP 53 2HB ASP 53 -4.682 -4.565 -5.300
101 HD2 ASP 53 HD ASP 53 -5.617 -3.728 -9.066
102 H PHE 54 HN PHE 54 -4.437 -2.598 -3.212
103 HA PHE 54 HA PHE 54 -7.165 -1.933 -3.256
104 HB2 PHE 54 3HB PHE 54 -5.742 -2.969 -1.361
105 HB3 PHE 54 2HB PHE 54 -5.355 -1.300 -0.937
106 HD1 PHE 54 2HD PHE 54 -7.410 0.308 -0.681
107 HD2 PHE 54 1HD PHE 54 -7.605 -3.934 -0.391
108 HE1 PHE 54 2HE PHE 54 -9.502 0.495 0.601
109 HE2 PHE 54 1HE PHE 54 -9.698 -3.754 0.891
110 HZ PHE 54 HZ PHE 54 -10.648 -1.537 1.390
111 H PHE 55 HN PHE 55 -4.549 0.126 -1.980
112 HA PHE 55 HA PHE 55 -6.043 2.492 -2.010
113 HB2 PHE 55 3HB PHE 55 -3.102 1.885 -1.917
114 HB3 PHE 55 2HB PHE 55 -3.654 3.554 -2.058
115 HD1 PHE 55 2HD PHE 55 -5.133 4.525 -0.290
116 HD2 PHE 55 1HD PHE 55 -3.183 0.769 0.165
117 HE1 PHE 55 2HE PHE 55 -5.476 4.645 2.143
118 HE2 PHE 55 1HE PHE 55 -3.524 0.883 2.599
119 HZ PHE 55 HZ PHE 55 -4.672 2.824 3.591
120 H ARG 56 HN ARG 56 -4.425 0.809 -4.537
121 HA ARG 56 HA ARG 56 -3.938 2.934 -6.317
122 HB2 ARG 56 3HB ARG 56 -4.307 -0.028 -6.623
123 HB3 ARG 56 2HB ARG 56 -4.219 1.000 -8.060
124 HG2 ARG 56 3HG ARG 56 -2.094 1.471 -6.082
125 HG3 ARG 56 2HG ARG 56 -2.080 -0.127 -6.848
126 HD2 ARG 56 3HD ARG 56 -2.126 2.529 -8.303
127 HD3 ARG 56 2HD ARG 56 -0.714 1.482 -8.091
128 HE ARG 56 HE ARG 56 -2.465 -0.164 -9.295
129 HH11 ARG 56 1HH1 ARG 56 -1.404 3.072 -10.021
130 HH12 ARG 56 2HH1 ARG 56 -1.619 2.898 -11.731
131 HH21 ARG 56 1HH2 ARG 56 -2.753 -0.405 -11.545
132 HH22 ARG 56 2HH2 ARG 56 -2.387 0.920 -12.597
133 H LYS 57 HN LYS 57 -6.832 1.254 -5.439
134 HA LYS 57 HA LYS 57 -8.307 2.335 -7.716
135 HB2 LYS 57 3HB LYS 57 -9.996 0.829 -7.242
136 HB3 LYS 57 2HB LYS 57 -8.560 -0.058 -6.707
137 HG2 LYS 57 3HG LYS 57 -9.195 1.207 -4.414
138 HG3 LYS 57 2HG LYS 57 -10.801 1.026 -5.140
139 HD2 LYS 57 3HD LYS 57 -10.522 -1.359 -5.339
140 HD3 LYS 57 2HD LYS 57 -8.835 -1.238 -4.805
141 HE2 LYS 57 3HE LYS 57 -9.413 -0.802 -2.598
142 HE3 LYS 57 2HE LYS 57 -11.022 -0.214 -3.043
143 HZ1 LYS 57 3HZ LYS 57 -10.614 -2.959 -3.758
144 HZ2 LYS 57 1HZ LYS 57 -11.876 -2.248 -2.885
145 HZ3 LYS 57 2HZ LYS 57 -10.449 -2.693 -2.096
146 H LEU 58 HN LEU 58 -7.704 2.963 -4.389
147 HA LEU 58 HA LEU 58 -10.030 4.367 -3.689
148 HB2 LEU 58 3HB LEU 58 -7.263 4.151 -2.684
149 HB3 LEU 58 2HB LEU 58 -8.123 5.638 -2.251
150 HG LEU 58 HG LEU 58 -8.275 3.914 -0.505
151 HD11 LEU 58 1HD1 LEU 58 -11.056 3.973 -1.399
152 HD12 LEU 58 2HD1 LEU 58 -10.255 5.543 -1.437
153 HD13 LEU 58 3HD1 LEU 58 -10.317 4.621 0.066
154 HD21 LEU 58 3HD2 LEU 58 -8.902 1.794 -0.872
155 HD22 LEU 58 1HD2 LEU 58 -8.529 2.139 -2.560
156 HD23 LEU 58 2HD2 LEU 58 -10.191 2.264 -1.982
157 H GLY 59 HN GLY 59 -7.442 5.189 -5.787
158 HA2 GLY 59 2HA GLY 59 -7.892 7.022 -7.346
159 HA3 GLY 59 3HA GLY 59 -8.512 7.935 -5.979
160 H TYR 60 HN TYR 60 -5.628 5.999 -5.708
161 HA TYR 60 HA TYR 60 -4.077 8.472 -5.376
162 HB2 TYR 60 3HB TYR 60 -3.803 5.695 -4.251
163 HB3 TYR 60 2HB TYR 60 -2.420 6.794 -4.277
164 HD1 TYR 60 2HD TYR 60 -2.889 9.202 -3.288
165 HD2 TYR 60 1HD TYR 60 -5.168 5.729 -2.371
166 HE1 TYR 60 2HE TYR 60 -3.656 10.262 -1.206
167 HE2 TYR 60 1HE TYR 60 -5.942 6.780 -0.287
168 HH TYR 60 HH TYR 60 -4.866 8.741 1.296
169 H SER 61 HN SER 61 -1.569 7.828 -5.747
170 HA SER 61 HA SER 61 -1.459 6.985 -8.557
171 HB2 SER 61 1HB SER 61 -0.524 9.270 -7.467
172 HB3 SER 61 2HB SER 61 0.909 8.242 -7.284
173 HG SER 61 HG SER 61 -0.473 8.854 -9.681
174 H SER 62 HN SER 62 -0.201 5.324 -9.233
175 HA SER 62 HA SER 62 0.452 3.257 -7.489
176 HB2 SER 62 1HB SER 62 2.137 2.859 -9.661
177 HB3 SER 62 2HB SER 62 0.462 2.296 -9.523
178 HG SER 62 HG SER 62 1.194 3.737 -11.399
179 H SER 63 HN SER 63 2.495 5.804 -8.851
180 HA SER 63 HA SER 63 4.953 4.876 -7.860
181 HB2 SER 63 1HB SER 63 4.442 7.821 -8.062
182 HB3 SER 63 2HB SER 63 5.843 6.875 -8.602
183 HG SER 63 HG SER 63 4.132 7.744 -10.192
184 H GLU 64 HN GLU 64 2.315 6.501 -6.324
185 HA GLU 64 HA GLU 64 3.850 7.375 -4.041
186 HB2 GLU 64 3HB GLU 64 0.863 7.266 -4.529
187 HB3 GLU 64 2HB GLU 64 1.629 7.991 -3.106
188 HG2 GLU 64 3HG GLU 64 2.541 8.952 -5.760
189 HG3 GLU 64 2HG GLU 64 0.911 9.406 -5.241
190 HE2 GLU 64 HE GLU 64 2.570 10.937 -2.328
191 H ILE 65 HN ILE 65 1.215 5.017 -4.520
192 HA ILE 65 HA ILE 65 1.374 3.874 -1.961
193 HB ILE 65 HB ILE 65 0.417 2.598 -4.527
194 HG12 ILE 65 1HG1 ILE 65 -1.323 3.756 -2.366
195 HG13 ILE 65 2HG1 ILE 65 -0.646 4.800 -3.627
196 HG21 ILE 65 1HG2 ILE 65 0.023 1.819 -1.643
197 HG22 ILE 65 2HG2 ILE 65 -0.912 1.156 -2.983
198 HG23 ILE 65 3HG2 ILE 65 0.830 0.889 -2.906
199 HD11 ILE 65 3HD1 ILE 65 -2.222 2.341 -4.297
200 HD12 ILE 65 1HD1 ILE 65 -2.986 3.905 -4.009
201 HD13 ILE 65 2HD1 ILE 65 -1.831 3.717 -5.329
202 H HIS 66 HN HIS 66 3.036 3.120 -4.973
203 HA HIS 66 HA HIS 66 4.248 0.719 -4.015
204 HB2 HIS 66 3HB HIS 66 3.843 1.492 -6.460
205 HB3 HIS 66 2HB HIS 66 5.356 2.384 -6.260
206 HD1 HIS 66 1HD HIS 66 7.509 1.106 -6.472
207 HD2 HIS 66 2HD HIS 66 4.185 -1.377 -6.251
208 HE1 HIS 66 1HE HIS 66 8.362 -1.207 -6.975
209 HE2 HIS 66 2HE HIS 66 6.330 -2.724 -6.842
210 H SER 67 HN SER 67 5.010 4.091 -3.826
211 HA SER 67 HA SER 67 7.791 3.777 -3.247
212 HB2 SER 67 1HB SER 67 7.264 5.899 -4.078
213 HB3 SER 67 2HB SER 67 5.834 6.047 -3.041
214 HG SER 67 HG SER 67 7.493 7.332 -2.222
215 H VAL 68 HN VAL 68 5.067 4.806 -1.182
216 HA VAL 68 HA VAL 68 6.377 4.717 1.254
217 HB VAL 68 HB VAL 68 4.158 4.410 2.295
218 HG11 VAL 68 1HG1 VAL 68 4.300 6.372 0.011
219 HG12 VAL 68 2HG1 VAL 68 3.094 6.428 1.298
220 HG13 VAL 68 3HG1 VAL 68 4.803 6.636 1.681
221 HG21 VAL 68 3HG2 VAL 68 2.329 4.563 0.275
222 HG22 VAL 68 1HG2 VAL 68 3.516 3.441 -0.392
223 HG23 VAL 68 2HG2 VAL 68 2.743 3.093 1.155
224 H LEU 69 HN LEU 69 4.921 2.107 -0.592
225 HA LEU 69 HA LEU 69 5.188 0.162 1.502
226 HB2 LEU 69 3HB LEU 69 4.283 0.201 -1.319
227 HB3 LEU 69 2HB LEU 69 4.916 -1.340 -0.711
228 HG LEU 69 HG LEU 69 2.435 -1.104 -0.580
229 HD11 LEU 69 1HD1 LEU 69 2.647 -1.504 2.128
230 HD12 LEU 69 2HD1 LEU 69 4.265 -1.888 1.544
231 HD13 LEU 69 3HD1 LEU 69 2.866 -2.732 0.880
232 HD21 LEU 69 3HD2 LEU 69 3.128 0.977 1.490
233 HD22 LEU 69 1HD2 LEU 69 1.524 0.287 1.239
234 HD23 LEU 69 2HD2 LEU 69 2.280 1.246 -0.033
235 H GLN 70 HN GLN 70 7.107 1.230 -1.222
236 HA GLN 70 HA GLN 70 8.914 -0.938 -1.298
237 HB2 GLN 70 3HB GLN 70 8.754 0.575 -3.168
238 HB3 GLN 70 2HB GLN 70 9.234 1.943 -2.149
239 HG2 GLN 70 3HG GLN 70 11.437 0.834 -1.793
240 HG3 GLN 70 2HG GLN 70 10.945 -0.388 -2.975
241 HE21 GLN 70 1HE2 GLN 70 13.017 1.869 -2.839
242 HE22 GLN 70 2HE2 GLN 70 12.852 2.654 -4.369
243 H LYS 71 HN LYS 71 8.635 1.822 0.774
244 HA LYS 71 HA LYS 71 11.301 1.366 1.898
245 HB2 LYS 71 3HB LYS 71 10.661 3.682 1.355
246 HB3 LYS 71 2HB LYS 71 9.296 3.556 2.475
247 HG2 LYS 71 3HG LYS 71 10.783 3.313 4.358
248 HG3 LYS 71 2HG LYS 71 12.186 3.286 3.275
249 HD2 LYS 71 3HD LYS 71 11.966 5.552 2.717
250 HD3 LYS 71 2HD LYS 71 10.293 5.614 3.297
251 HE2 LYS 71 3HE LYS 71 11.594 6.751 4.924
252 HE3 LYS 71 2HE LYS 71 11.192 5.170 5.611
253 HZ1 LYS 71 3HZ LYS 71 13.348 4.388 5.274
254 HZ2 LYS 71 1HZ LYS 71 13.579 5.970 5.827
255 HZ3 LYS 71 2HZ LYS 71 13.740 5.618 4.181
256 H LEU 72 HN LEU 72 7.885 1.402 2.811
257 HA LEU 72 HA LEU 72 8.342 0.732 5.543
258 HB2 LEU 72 3HB LEU 72 5.933 0.707 3.744
259 HB3 LEU 72 2HB LEU 72 5.858 0.064 5.393
260 HG LEU 72 HG LEU 72 6.901 2.825 5.041
261 HD11 LEU 72 1HD1 LEU 72 4.118 3.046 5.394
262 HD12 LEU 72 2HD1 LEU 72 4.372 2.008 3.992
263 HD13 LEU 72 3HD1 LEU 72 5.091 3.617 4.039
264 HD21 LEU 72 3HD2 LEU 72 4.965 1.708 7.054
265 HD22 LEU 72 1HD2 LEU 72 5.961 3.157 7.180
266 HD23 LEU 72 2HD2 LEU 72 6.715 1.564 7.228
267 H GLY 73 HN GLY 73 7.010 -1.184 2.837
268 HA2 GLY 73 2HA GLY 73 7.633 -3.403 2.319
269 HA3 GLY 73 3HA GLY 73 8.359 -3.546 3.913
270 H VAL 74 HN VAL 74 7.366 -5.201 4.874
271 HA VAL 74 HA VAL 74 4.467 -5.497 4.590
272 HB VAL 74 HB VAL 74 6.413 -7.395 5.905
273 HG11 VAL 74 1HG1 VAL 74 3.529 -7.320 5.636
274 HG12 VAL 74 2HG1 VAL 74 4.219 -8.793 4.950
275 HG13 VAL 74 3HG1 VAL 74 4.543 -8.366 6.630
276 HG21 VAL 74 3HG2 VAL 74 5.823 -8.678 3.671
277 HG22 VAL 74 1HG2 VAL 74 5.602 -7.035 3.068
278 HG23 VAL 74 2HG2 VAL 74 7.154 -7.524 3.747
279 H GLN 75 HN GLN 75 6.860 -4.484 6.835
280 HA GLN 75 HA GLN 75 5.478 -4.987 9.249
281 HB2 GLN 75 3HB GLN 75 7.071 -3.580 10.304
282 HB3 GLN 75 2HB GLN 75 7.928 -4.419 9.001
283 HG2 GLN 75 3HG GLN 75 7.732 -2.438 7.577
284 HG3 GLN 75 2HG GLN 75 6.882 -1.599 8.883
285 HE21 GLN 75 1HE2 GLN 75 9.940 -2.865 7.809
286 HE22 GLN 75 2HE2 GLN 75 10.919 -2.023 8.956
287 H ALA 76 HN ALA 76 5.095 -2.613 6.790
288 HA ALA 76 HA ALA 76 4.027 -0.447 8.122
289 HB1 ALA 76 1HB ALA 76 4.297 -1.192 5.491
290 HB2 ALA 76 2HB ALA 76 2.547 -1.093 5.696
291 HB3 ALA 76 3HB ALA 76 3.559 0.302 6.070
292 H ASP 77 HN ASP 77 1.655 0.217 8.055
293 HA ASP 77 HA ASP 77 -0.163 -2.008 8.603
294 HB2 ASP 77 3HB ASP 77 -0.173 0.325 10.488
295 HB3 ASP 77 2HB ASP 77 -0.755 -1.326 10.742
296 HD2 ASP 77 HD ASP 77 2.403 -2.456 11.669
297 H THR 78 HN THR 78 -2.420 -1.388 8.590
298 HA THR 78 HA THR 78 -3.164 0.172 6.440
299 HB THR 78 HB THR 78 -4.850 -0.386 8.889
300 HG1 THR 78 1HG THR 78 -4.248 -1.898 6.567
301 HG21 THR 78 3HG2 THR 78 -5.567 0.388 6.062
302 HG22 THR 78 1HG2 THR 78 -5.903 1.291 7.538
303 HG23 THR 78 2HG2 THR 78 -6.726 -0.239 7.233
304 H ASN 79 HN ASN 79 -2.546 1.130 9.737
305 HA ASN 79 HA ASN 79 -3.727 3.741 9.454
306 HB2 ASN 79 3HB ASN 79 -3.620 2.572 11.635
307 HB3 ASN 79 2HB ASN 79 -1.856 2.695 11.590
308 HD21 ASN 79 1HD2 ASN 79 -1.663 3.943 13.402
309 HD22 ASN 79 2HD2 ASN 79 -2.194 5.585 13.481
310 H THR 80 HN THR 80 -0.431 2.430 9.563
311 HA THR 80 HA THR 80 0.932 4.872 9.332
312 HB THR 80 HB THR 80 1.802 2.130 8.401
313 HG1 THR 80 1HG THR 80 2.347 3.548 10.815
314 HG21 THR 80 3HG2 THR 80 3.626 3.105 7.578
315 HG22 THR 80 1HG2 THR 80 3.991 3.739 9.183
316 HG23 THR 80 2HG2 THR 80 3.023 4.691 8.059
317 H VAL 81 HN VAL 81 -0.121 2.561 6.849
318 HA VAL 81 HA VAL 81 0.974 3.730 4.604
319 HB VAL 81 HB VAL 81 -1.777 2.487 4.735
320 HG11 VAL 81 1HG1 VAL 81 0.179 2.957 2.500
321 HG12 VAL 81 2HG1 VAL 81 -1.139 1.789 2.382
322 HG13 VAL 81 3HG1 VAL 81 -1.494 3.500 2.624
323 HG21 VAL 81 3HG2 VAL 81 -0.811 0.559 5.266
324 HG22 VAL 81 1HG2 VAL 81 0.171 0.658 3.805
325 HG23 VAL 81 2HG2 VAL 81 0.767 1.343 5.317
326 H LEU 82 HN LEU 82 -2.261 4.365 5.966
327 HA LEU 82 HA LEU 82 -3.051 6.343 4.187
328 HB2 LEU 82 3HB LEU 82 -3.694 6.173 7.136
329 HB3 LEU 82 2HB LEU 82 -4.604 7.077 5.914
330 HG LEU 82 HG LEU 82 -4.281 4.114 5.643
331 HD11 LEU 82 1HD1 LEU 82 -5.228 5.065 7.967
332 HD12 LEU 82 2HD1 LEU 82 -5.819 3.589 7.206
333 HD13 LEU 82 3HD1 LEU 82 -6.705 5.100 7.003
334 HD21 LEU 82 3HD2 LEU 82 -5.306 5.820 3.933
335 HD22 LEU 82 1HD2 LEU 82 -6.716 5.703 4.985
336 HD23 LEU 82 2HD2 LEU 82 -6.069 4.255 4.212
337 H GLY 83 HN GLY 83 -1.480 6.764 7.364
338 HA2 GLY 83 2HA GLY 83 -1.273 9.520 7.385
339 HA3 GLY 83 3HA GLY 83 -0.119 8.439 8.153
340 H GLU 84 HN GLU 84 0.930 7.183 5.884
341 HA GLU 84 HA GLU 84 2.968 8.913 5.148
342 HB2 GLU 84 3HB GLU 84 1.897 6.436 3.791
343 HB3 GLU 84 2HB GLU 84 3.359 7.278 3.252
344 HG2 GLU 84 3HG GLU 84 3.010 6.232 6.055
345 HG3 GLU 84 2HG GLU 84 3.716 5.281 4.740
346 HE2 GLU 84 HE GLU 84 6.120 8.246 4.897
347 H LEU 85 HN LEU 85 -0.140 8.321 3.626
348 HA LEU 85 HA LEU 85 0.509 10.014 1.357
349 HB2 LEU 85 3HB LEU 85 -2.196 8.865 2.019
350 HB3 LEU 85 2HB LEU 85 -1.562 9.364 0.442
351 HG LEU 85 HG LEU 85 -0.452 7.017 1.965
352 HD11 LEU 85 1HD1 LEU 85 -2.337 6.683 -0.316
353 HD12 LEU 85 2HD1 LEU 85 -2.986 6.975 1.297
354 HD13 LEU 85 3HD1 LEU 85 -1.951 5.578 1.004
355 HD21 LEU 85 3HD2 LEU 85 0.794 6.582 0.121
356 HD22 LEU 85 1HD2 LEU 85 0.648 8.328 -0.085
357 HD23 LEU 85 2HD2 LEU 85 -0.411 7.242 -0.987
358 H VAL 86 HN VAL 86 -1.159 10.199 4.396
359 HA VAL 86 HA VAL 86 -2.778 12.445 3.908
360 HB VAL 86 HB VAL 86 -1.513 11.562 6.506
361 HG11 VAL 86 1HG1 VAL 86 -3.453 13.703 5.821
362 HG12 VAL 86 2HG1 VAL 86 -3.716 12.793 7.309
363 HG13 VAL 86 3HG1 VAL 86 -2.202 13.664 7.063
364 HG21 VAL 86 3HG2 VAL 86 -3.083 9.984 6.674
365 HG22 VAL 86 1HG2 VAL 86 -4.356 11.083 6.143
366 HG23 VAL 86 2HG2 VAL 86 -3.369 10.235 4.952
367 H LYS 87 HN LYS 87 0.619 12.124 4.468
368 HA LYS 87 HA LYS 87 0.866 15.060 4.549
369 HB2 LYS 87 3HB LYS 87 2.561 12.938 5.875
370 HB3 LYS 87 2HB LYS 87 3.079 14.624 5.707
371 HG2 LYS 87 3HG LYS 87 0.413 14.182 6.918
372 HG3 LYS 87 2HG LYS 87 1.822 13.681 7.870
373 HD2 LYS 87 3HD LYS 87 2.801 15.935 7.578
374 HD3 LYS 87 2HD LYS 87 1.338 16.423 6.705
375 HE2 LYS 87 3HE LYS 87 1.359 15.384 9.548
376 HE3 LYS 87 2HE LYS 87 1.358 17.097 9.102
377 HZ1 LYS 87 3HZ LYS 87 -0.811 15.219 9.130
378 HZ2 LYS 87 1HZ LYS 87 -0.715 16.081 7.678
379 HZ3 LYS 87 2HZ LYS 87 -0.847 16.910 9.145
380 H HIS 88 HN HIS 88 2.206 12.031 3.345
381 HA HIS 88 HA HIS 88 3.667 13.570 1.300
382 HB2 HIS 88 3HB HIS 88 4.403 11.068 2.791
383 HB3 HIS 88 2HB HIS 88 5.076 11.373 1.187
384 HD1 HIS 88 1HD HIS 88 5.480 12.296 4.716
385 HD2 HIS 88 2HD HIS 88 6.718 13.740 1.023
386 HE1 HIS 88 1HE HIS 88 7.360 13.891 5.213
387 HE2 HIS 88 2HE HIS 88 8.115 14.776 2.956
388 H GLY 89 HN GLY 89 1.059 13.057 0.802
389 HA2 GLY 89 2HA GLY 89 1.000 10.635 -0.865
390 HA3 GLY 89 3HA GLY 89 -0.408 11.536 -0.322
Start of MODEL 15
1 H1 GLY 41 HN GLY 41 -15.688 -10.430 -10.717
2 HA2 GLY 41 2HA GLY 41 -16.058 -12.936 -9.893
3 HA3 GLY 41 3HA GLY 41 -14.459 -13.067 -10.610
4 HA PRO 42 HA PRO 42 -14.068 -11.834 -6.127
5 HB2 PRO 42 3HB PRO 42 -12.339 -13.847 -5.448
6 HB3 PRO 42 2HB PRO 42 -14.093 -14.013 -5.397
7 HG2 PRO 42 3HG PRO 42 -12.163 -14.850 -7.534
8 HG3 PRO 42 2HG PRO 42 -13.546 -15.764 -6.826
9 HD2 PRO 42 3HD PRO 42 -13.694 -14.513 -9.231
10 HD3 PRO 42 2HD PRO 42 -15.081 -14.648 -8.135
11 H HIS 43 HN HIS 43 -11.802 -11.725 -4.929
12 HA HIS 43 HA HIS 43 -9.825 -10.711 -6.867
13 HB2 HIS 43 3HB HIS 43 -11.126 -9.000 -5.431
14 HB3 HIS 43 2HB HIS 43 -10.141 -9.594 -4.090
15 HD1 HIS 43 1HD HIS 43 -9.230 -8.595 -7.655
16 HD2 HIS 43 2HD HIS 43 -8.117 -7.854 -3.723
17 HE1 HIS 43 1HE HIS 43 -7.283 -7.010 -7.796
18 HE2 HIS 43 2HE HIS 43 -6.601 -6.556 -5.392
19 H MET 44 HN MET 44 -8.811 -12.792 -6.801
20 HA MET 44 HA MET 44 -7.517 -13.479 -4.258
21 HB2 MET 44 3HB MET 44 -8.760 -15.284 -5.324
22 HB3 MET 44 2HB MET 44 -7.817 -15.077 -6.806
23 HG2 MET 44 3HG MET 44 -5.757 -15.608 -5.417
24 HG3 MET 44 2HG MET 44 -6.880 -16.111 -4.150
25 HE1 MET 44 3HE MET 44 -4.819 -17.702 -4.852
26 HE2 MET 44 1HE MET 44 -5.575 -19.293 -4.940
27 HE3 MET 44 2HE MET 44 -4.778 -18.616 -6.361
28 H THR 45 HN THR 45 -5.483 -12.891 -3.943
29 HA THR 45 HA THR 45 -3.454 -13.179 -5.910
30 HB THR 45 HB THR 45 -4.502 -11.096 -6.758
31 HG1 THR 45 1HG THR 45 -2.489 -10.811 -7.333
32 HG21 THR 45 3HG2 THR 45 -3.564 -9.855 -4.173
33 HG22 THR 45 1HG2 THR 45 -5.243 -10.259 -4.525
34 HG23 THR 45 2HG2 THR 45 -4.404 -9.052 -5.499
35 H SER 46 HN SER 46 -1.334 -12.255 -5.116
36 HA SER 46 HA SER 46 -0.772 -13.176 -2.557
37 HB2 SER 46 1HB SER 46 0.828 -12.658 -4.529
38 HB3 SER 46 2HB SER 46 0.872 -11.018 -3.861
39 HG SER 46 HG SER 46 1.357 -12.248 -1.787
40 H GLU 47 HN GLU 47 -0.734 -12.296 -0.559
41 HA GLU 47 HA GLU 47 -2.345 -10.153 0.107
42 HB2 GLU 47 3HB GLU 47 -1.175 -10.163 2.306
43 HB3 GLU 47 2HB GLU 47 -1.711 -11.764 1.773
44 HG2 GLU 47 3HG GLU 47 0.537 -12.332 1.065
45 HG3 GLU 47 2HG GLU 47 1.095 -10.710 1.499
46 HE2 GLU 47 HE GLU 47 1.966 -12.402 4.423
47 H LEU 48 HN LEU 48 1.067 -10.200 -0.703
48 HA LEU 48 HA LEU 48 1.634 -7.539 0.111
49 HB2 LEU 48 3HB LEU 48 3.658 -7.785 -1.314
50 HB3 LEU 48 2HB LEU 48 3.434 -9.080 -0.125
51 HG LEU 48 HG LEU 48 2.290 -10.264 -2.225
52 HD11 LEU 48 1HD1 LEU 48 4.515 -8.927 -3.655
53 HD12 LEU 48 2HD1 LEU 48 3.000 -8.038 -3.486
54 HD13 LEU 48 3HD1 LEU 48 3.015 -9.615 -4.277
55 HD21 LEU 48 3HD2 LEU 48 3.961 -11.451 -1.188
56 HD22 LEU 48 1HD2 LEU 48 5.123 -10.129 -1.305
57 HD23 LEU 48 2HD2 LEU 48 4.726 -11.083 -2.734
58 H GLN 49 HN GLN 49 0.475 -8.988 -2.869
59 HA GLN 49 HA GLN 49 0.766 -6.619 -4.445
60 HB2 GLN 49 3HB GLN 49 -0.467 -9.310 -4.805
61 HB3 GLN 49 2HB GLN 49 -1.003 -8.005 -5.875
62 HG2 GLN 49 3HG GLN 49 1.923 -8.474 -5.517
63 HG3 GLN 49 2HG GLN 49 0.983 -9.560 -6.550
64 HE21 GLN 49 1HE2 GLN 49 2.512 -6.543 -6.292
65 HE22 GLN 49 2HE2 GLN 49 2.055 -5.909 -7.834
66 H MET 50 HN MET 50 -1.786 -8.039 -2.503
67 HA MET 50 HA MET 50 -3.895 -6.394 -3.424
68 HB2 MET 50 3HB MET 50 -4.007 -8.575 -2.057
69 HB3 MET 50 2HB MET 50 -3.743 -7.538 -0.647
70 HG2 MET 50 3HG MET 50 -5.754 -6.236 -1.241
71 HG3 MET 50 2HG MET 50 -6.028 -7.338 -2.593
72 HE1 MET 50 3HE MET 50 -6.877 -10.625 -1.201
73 HE2 MET 50 1HE MET 50 -5.626 -9.836 -2.161
74 HE3 MET 50 2HE MET 50 -5.263 -10.395 -0.529
75 H LYS 51 HN LYS 51 -1.474 -6.024 -0.905
76 HA LYS 51 HA LYS 51 -2.512 -3.904 0.530
77 HB2 LYS 51 3HB LYS 51 0.208 -4.929 -0.052
78 HB3 LYS 51 2HB LYS 51 0.109 -3.270 0.556
79 HG2 LYS 51 3HG LYS 51 -1.459 -4.360 2.368
80 HG3 LYS 51 2HG LYS 51 -0.576 -5.828 1.910
81 HD2 LYS 51 3HD LYS 51 1.557 -4.702 2.373
82 HD3 LYS 51 2HD LYS 51 0.671 -3.238 2.837
83 HE2 LYS 51 3HE LYS 51 -0.554 -4.814 4.517
84 HE3 LYS 51 2HE LYS 51 0.838 -5.873 4.248
85 HZ1 LYS 51 3HZ LYS 51 1.335 -3.056 4.893
86 HZ2 LYS 51 1HZ LYS 51 2.263 -4.423 5.256
87 HZ3 LYS 51 2HZ LYS 51 0.859 -4.095 6.140
88 H VAL 52 HN VAL 52 -0.582 -3.809 -2.448
89 HA VAL 52 HA VAL 52 -0.779 -0.931 -2.626
90 HB VAL 52 HB VAL 52 0.213 -2.836 -4.745
91 HG11 VAL 52 1HG1 VAL 52 1.486 -0.242 -4.541
92 HG12 VAL 52 2HG1 VAL 52 0.752 -1.033 -5.938
93 HG13 VAL 52 3HG1 VAL 52 -0.249 -0.106 -4.820
94 HG21 VAL 52 3HG2 VAL 52 1.427 -3.244 -2.676
95 HG22 VAL 52 1HG2 VAL 52 2.461 -2.430 -3.850
96 HG23 VAL 52 2HG2 VAL 52 1.758 -1.519 -2.512
97 H ASP 53 HN ASP 53 -2.004 -3.705 -4.488
98 HA ASP 53 HA ASP 53 -3.432 -2.359 -6.427
99 HB2 ASP 53 3HB ASP 53 -3.058 -4.859 -6.225
100 HB3 ASP 53 2HB ASP 53 -4.407 -4.880 -5.082
101 HD2 ASP 53 HD ASP 53 -5.207 -4.377 -8.925
102 H PHE 54 HN PHE 54 -4.204 -2.838 -3.064
103 HA PHE 54 HA PHE 54 -6.953 -2.249 -3.153
104 HB2 PHE 54 3HB PHE 54 -5.844 -3.261 -1.200
105 HB3 PHE 54 2HB PHE 54 -4.980 -1.749 -0.913
106 HD1 PHE 54 2HD PHE 54 -6.130 0.227 -0.075
107 HD2 PHE 54 1HD PHE 54 -8.177 -3.465 -0.624
108 HE1 PHE 54 2HE PHE 54 -7.983 1.052 1.316
109 HE2 PHE 54 1HE PHE 54 -10.034 -2.646 0.767
110 HZ PHE 54 HZ PHE 54 -9.938 -0.385 1.739
111 H PHE 55 HN PHE 55 -4.477 -0.085 -1.792
112 HA PHE 55 HA PHE 55 -5.992 2.236 -1.922
113 HB2 PHE 55 3HB PHE 55 -3.038 1.700 -1.833
114 HB3 PHE 55 2HB PHE 55 -3.624 3.354 -2.023
115 HD1 PHE 55 1HD PHE 55 -5.204 4.298 -0.288
116 HD2 PHE 55 2HD PHE 55 -2.996 0.704 0.293
117 HE1 PHE 55 1HE PHE 55 -5.540 4.487 2.143
118 HE2 PHE 55 2HE PHE 55 -3.330 0.888 2.724
119 HZ PHE 55 HZ PHE 55 -4.603 2.781 3.651
120 H ARG 56 HN ARG 56 -4.255 0.580 -4.414
121 HA ARG 56 HA ARG 56 -3.861 2.659 -6.243
122 HB2 ARG 56 3HB ARG 56 -4.202 -0.312 -6.501
123 HB3 ARG 56 2HB ARG 56 -4.113 0.698 -7.951
124 HG2 ARG 56 3HG ARG 56 -1.998 1.257 -6.005
125 HG3 ARG 56 2HG ARG 56 -1.976 -0.392 -6.655
126 HD2 ARG 56 3HD ARG 56 -2.044 2.142 -8.311
127 HD3 ARG 56 2HD ARG 56 -0.611 1.154 -7.994
128 HE ARG 56 HE ARG 56 -2.303 -0.632 -9.080
129 HH11 ARG 56 1HH1 ARG 56 -1.309 2.558 -10.059
130 HH12 ARG 56 2HH1 ARG 56 -1.492 2.238 -11.752
131 HH21 ARG 56 1HH2 ARG 56 -2.547 -1.066 -11.306
132 HH22 ARG 56 2HH2 ARG 56 -2.197 0.177 -12.460
133 H LYS 57 HN LYS 57 -6.722 0.932 -5.330
134 HA LYS 57 HA LYS 57 -8.227 1.969 -7.607
135 HB2 LYS 57 3HB LYS 57 -9.892 0.438 -7.109
136 HB3 LYS 57 2HB LYS 57 -8.431 -0.422 -6.593
137 HG2 LYS 57 3HG LYS 57 -9.064 0.837 -4.292
138 HG3 LYS 57 2HG LYS 57 -10.675 0.616 -4.999
139 HD2 LYS 57 3HD LYS 57 -9.855 -1.830 -5.431
140 HD3 LYS 57 2HD LYS 57 -8.676 -1.446 -4.165
141 HE2 LYS 57 3HE LYS 57 -11.668 -1.114 -3.857
142 HE3 LYS 57 2HE LYS 57 -10.757 -2.535 -3.327
143 HZ1 LYS 57 3HZ LYS 57 -10.625 0.220 -2.276
144 HZ2 LYS 57 1HZ LYS 57 -9.363 -0.874 -2.011
145 HZ3 LYS 57 2HZ LYS 57 -10.915 -1.219 -1.436
146 H LEU 58 HN LEU 58 -7.624 2.629 -4.286
147 HA LEU 58 HA LEU 58 -9.969 3.981 -3.571
148 HB2 LEU 58 3HB LEU 58 -7.168 3.898 -2.622
149 HB3 LEU 58 2HB LEU 58 -8.112 5.325 -2.162
150 HG LEU 58 HG LEU 58 -8.131 3.605 -0.420
151 HD11 LEU 58 1HD1 LEU 58 -10.271 4.027 0.160
152 HD12 LEU 58 2HD1 LEU 58 -10.913 3.504 -1.398
153 HD13 LEU 58 3HD1 LEU 58 -10.198 5.108 -1.233
154 HD21 LEU 58 3HD2 LEU 58 -9.343 1.922 -2.598
155 HD22 LEU 58 1HD2 LEU 58 -9.503 1.536 -0.885
156 HD23 LEU 58 2HD2 LEU 58 -7.906 1.587 -1.632
157 H GLY 59 HN GLY 59 -7.456 4.848 -5.735
158 HA2 GLY 59 2HA GLY 59 -8.022 6.655 -7.302
159 HA3 GLY 59 3HA GLY 59 -8.584 7.574 -5.912
160 H TYR 60 HN TYR 60 -5.722 5.725 -5.488
161 HA TYR 60 HA TYR 60 -4.171 8.204 -5.368
162 HB2 TYR 60 3HB TYR 60 -3.817 5.459 -4.184
163 HB3 TYR 60 2HB TYR 60 -2.464 6.591 -4.265
164 HD1 TYR 60 1HD TYR 60 -2.865 8.958 -3.254
165 HD2 TYR 60 2HD TYR 60 -5.245 5.552 -2.337
166 HE1 TYR 60 1HE TYR 60 -3.611 10.046 -1.177
167 HE2 TYR 60 2HE TYR 60 -5.999 6.631 -0.260
168 HH TYR 60 HH TYR 60 -5.775 9.796 0.355
169 H SER 61 HN SER 61 -1.667 7.572 -5.791
170 HA SER 61 HA SER 61 -1.627 6.607 -8.567
171 HB2 SER 61 1HB SER 61 -0.161 8.726 -7.090
172 HB3 SER 61 2HB SER 61 0.777 7.811 -8.284
173 HG SER 61 HG SER 61 -1.007 8.297 -9.771
174 H SER 62 HN SER 62 -0.278 4.992 -9.208
175 HA SER 62 HA SER 62 0.507 3.040 -7.393
176 HB2 SER 62 1HB SER 62 2.184 2.620 -9.555
177 HB3 SER 62 2HB SER 62 0.526 2.012 -9.398
178 HG SER 62 HG SER 62 1.209 3.394 -11.328
179 H SER 63 HN SER 63 2.416 5.610 -8.907
180 HA SER 63 HA SER 63 4.924 4.864 -7.912
181 HB2 SER 63 1HB SER 63 3.809 7.584 -8.651
182 HB3 SER 63 2HB SER 63 5.512 7.296 -8.252
183 HG SER 63 HG SER 63 5.577 6.965 -10.355
184 H GLU 64 HN GLU 64 2.217 6.341 -6.368
185 HA GLU 64 HA GLU 64 3.748 7.364 -4.134
186 HB2 GLU 64 3HB GLU 64 0.768 7.152 -4.617
187 HB3 GLU 64 2HB GLU 64 1.500 7.905 -3.191
188 HG2 GLU 64 3HG GLU 64 2.471 8.911 -5.784
189 HG3 GLU 64 2HG GLU 64 0.775 9.246 -5.413
190 HE2 GLU 64 HE GLU 64 1.703 11.812 -3.360
191 H ILE 65 HN ILE 65 1.169 4.926 -4.503
192 HA ILE 65 HA ILE 65 1.393 3.852 -1.926
193 HB ILE 65 HB ILE 65 0.466 2.475 -4.450
194 HG12 ILE 65 1HG1 ILE 65 -1.309 3.608 -2.307
195 HG13 ILE 65 2HG1 ILE 65 -0.666 4.662 -3.577
196 HG21 ILE 65 1HG2 ILE 65 0.187 1.744 -1.545
197 HG22 ILE 65 2HG2 ILE 65 -0.827 1.059 -2.813
198 HG23 ILE 65 3HG2 ILE 65 0.916 0.795 -2.840
199 HD11 ILE 65 3HD1 ILE 65 -2.149 2.143 -4.231
200 HD12 ILE 65 1HD1 ILE 65 -2.974 3.676 -3.953
201 HD13 ILE 65 2HD1 ILE 65 -1.811 3.526 -5.270
202 H HIS 66 HN HIS 66 3.174 3.213 -4.868
203 HA HIS 66 HA HIS 66 4.456 0.847 -3.842
204 HB2 HIS 66 3HB HIS 66 3.966 1.498 -6.319
205 HB3 HIS 66 2HB HIS 66 5.466 2.422 -6.190
206 HD1 HIS 66 1HD HIS 66 7.527 1.185 -6.765
207 HD2 HIS 66 2HD HIS 66 4.469 -1.370 -5.591
208 HE1 HIS 66 1HE HIS 66 8.437 -1.139 -7.074
209 HE2 HIS 66 2HE HIS 66 6.567 -2.700 -6.356
210 H SER 67 HN SER 67 5.040 4.251 -3.809
211 HA SER 67 HA SER 67 7.852 4.078 -3.264
212 HB2 SER 67 1HB SER 67 7.269 6.113 -4.251
213 HB3 SER 67 2HB SER 67 5.821 6.289 -3.246
214 HG SER 67 HG SER 67 8.404 6.324 -2.110
215 H VAL 68 HN VAL 68 4.922 4.562 -1.342
216 HA VAL 68 HA VAL 68 6.298 4.896 1.135
217 HB VAL 68 HB VAL 68 4.087 4.590 2.182
218 HG11 VAL 68 1HG1 VAL 68 2.962 6.509 1.067
219 HG12 VAL 68 2HG1 VAL 68 4.665 6.796 1.430
220 HG13 VAL 68 3HG1 VAL 68 4.166 6.412 -0.217
221 HG21 VAL 68 3HG2 VAL 68 3.397 3.641 -0.553
222 HG22 VAL 68 1HG2 VAL 68 2.889 3.025 1.019
223 HG23 VAL 68 2HG2 VAL 68 2.168 4.500 0.376
224 H LEU 69 HN LEU 69 4.924 2.158 -0.585
225 HA LEU 69 HA LEU 69 5.189 0.320 1.590
226 HB2 LEU 69 3HB LEU 69 4.381 0.224 -1.247
227 HB3 LEU 69 2HB LEU 69 5.101 -1.263 -0.605
228 HG LEU 69 HG LEU 69 2.607 -1.191 -0.530
229 HD11 LEU 69 1HD1 LEU 69 3.495 -2.779 0.888
230 HD12 LEU 69 2HD1 LEU 69 2.546 -1.788 1.996
231 HD13 LEU 69 3HD1 LEU 69 4.294 -1.579 1.904
232 HD21 LEU 69 3HD2 LEU 69 3.116 0.954 1.529
233 HD22 LEU 69 1HD2 LEU 69 1.567 0.157 1.252
234 HD23 LEU 69 2HD2 LEU 69 2.287 1.150 -0.015
235 H GLN 70 HN GLN 70 7.187 1.297 -1.123
236 HA GLN 70 HA GLN 70 9.071 -0.788 -1.013
237 HB2 GLN 70 3HB GLN 70 9.013 0.604 -2.948
238 HB3 GLN 70 2HB GLN 70 9.274 2.063 -1.980
239 HG2 GLN 70 3HG GLN 70 11.300 1.500 -3.151
240 HG3 GLN 70 2HG GLN 70 11.526 1.270 -1.411
241 HE21 GLN 70 1HE2 GLN 70 13.366 -0.013 -2.280
242 HE22 GLN 70 2HE2 GLN 70 13.084 -1.682 -2.625
243 H LYS 71 HN LYS 71 8.602 2.026 0.949
244 HA LYS 71 HA LYS 71 11.229 1.728 2.200
245 HB2 LYS 71 3HB LYS 71 9.058 3.817 2.442
246 HB3 LYS 71 2HB LYS 71 10.486 3.787 3.489
247 HG2 LYS 71 3HG LYS 71 10.848 3.762 0.522
248 HG3 LYS 71 2HG LYS 71 10.447 5.277 1.350
249 HD2 LYS 71 3HD LYS 71 12.652 3.597 2.461
250 HD3 LYS 71 2HD LYS 71 12.956 4.532 0.987
251 HE2 LYS 71 3HE LYS 71 13.568 6.085 2.561
252 HE3 LYS 71 2HE LYS 71 11.851 6.473 2.384
253 HZ1 LYS 71 3HZ LYS 71 11.323 5.407 4.373
254 HZ2 LYS 71 1HZ LYS 71 12.759 6.228 4.728
255 HZ3 LYS 71 2HZ LYS 71 12.786 4.562 4.435
256 H LEU 72 HN LEU 72 7.792 1.817 3.122
257 HA LEU 72 HA LEU 72 8.198 1.116 5.823
258 HB2 LEU 72 3HB LEU 72 5.885 1.181 3.949
259 HB3 LEU 72 2HB LEU 72 5.714 0.249 5.448
260 HG LEU 72 HG LEU 72 6.057 2.212 6.784
261 HD11 LEU 72 1HD1 LEU 72 7.585 3.608 5.867
262 HD12 LEU 72 2HD1 LEU 72 6.130 4.432 5.308
263 HD13 LEU 72 3HD1 LEU 72 7.003 3.351 4.223
264 HD21 LEU 72 3HD2 LEU 72 4.027 2.236 4.633
265 HD22 LEU 72 1HD2 LEU 72 4.234 3.728 5.550
266 HD23 LEU 72 2HD2 LEU 72 3.827 2.229 6.386
267 H GLY 73 HN GLY 73 7.033 -0.882 3.099
268 HA2 GLY 73 2HA GLY 73 7.804 -3.081 2.648
269 HA3 GLY 73 3HA GLY 73 8.390 -3.188 4.301
270 H VAL 74 HN VAL 74 7.381 -4.989 5.009
271 HA VAL 74 HA VAL 74 4.493 -5.249 4.599
272 HB VAL 74 HB VAL 74 6.431 -7.246 5.773
273 HG11 VAL 74 1HG1 VAL 74 4.593 -8.299 6.454
274 HG12 VAL 74 2HG1 VAL 74 3.548 -7.148 5.618
275 HG13 VAL 74 3HG1 VAL 74 4.190 -8.548 4.756
276 HG21 VAL 74 3HG2 VAL 74 5.720 -8.340 3.443
277 HG22 VAL 74 1HG2 VAL 74 5.607 -6.637 2.997
278 HG23 VAL 74 2HG2 VAL 74 7.125 -7.289 3.612
279 H GLN 75 HN GLN 75 6.843 -4.548 7.035
280 HA GLN 75 HA GLN 75 5.310 -5.191 9.322
281 HB2 GLN 75 3HB GLN 75 6.888 -3.807 10.559
282 HB3 GLN 75 2HB GLN 75 7.741 -4.838 9.400
283 HG2 GLN 75 3HG GLN 75 7.889 -2.925 7.841
284 HG3 GLN 75 2HG GLN 75 7.132 -1.910 9.074
285 HE21 GLN 75 1HE2 GLN 75 9.457 -1.045 8.232
286 HE22 GLN 75 2HE2 GLN 75 10.717 -1.339 9.377
287 H ALA 76 HN ALA 76 5.034 -2.698 7.030
288 HA ALA 76 HA ALA 76 4.120 -0.519 8.454
289 HB1 ALA 76 1HB ALA 76 3.944 0.234 6.376
290 HB2 ALA 76 2HB ALA 76 4.037 -1.410 5.742
291 HB3 ALA 76 3HB ALA 76 2.473 -0.719 6.175
292 H ASP 77 HN ASP 77 1.782 0.268 8.465
293 HA ASP 77 HA ASP 77 -0.087 -1.904 9.109
294 HB2 ASP 77 3HB ASP 77 -0.063 0.564 10.813
295 HB3 ASP 77 2HB ASP 77 -0.648 -1.060 11.197
296 HD2 ASP 77 HD ASP 77 2.957 -0.150 12.254
297 H THR 78 HN THR 78 -2.363 -1.105 9.279
298 HA THR 78 HA THR 78 -3.171 0.168 6.958
299 HB THR 78 HB THR 78 -4.726 0.105 9.551
300 HG1 THR 78 1HG THR 78 -4.948 -1.966 9.200
301 HG21 THR 78 3HG2 THR 78 -6.457 -0.240 7.423
302 HG22 THR 78 1HG2 THR 78 -5.335 0.991 6.846
303 HG23 THR 78 2HG2 THR 78 -6.229 1.246 8.345
304 H ASN 79 HN ASN 79 -2.382 1.534 10.089
305 HA ASN 79 HA ASN 79 -3.389 4.151 9.463
306 HB2 ASN 79 3HB ASN 79 -3.305 3.358 11.781
307 HB3 ASN 79 2HB ASN 79 -1.543 3.233 11.679
308 HD21 ASN 79 1HD2 ASN 79 -0.287 5.090 11.664
309 HD22 ASN 79 2HD2 ASN 79 -0.913 6.628 12.142
310 H THR 80 HN THR 80 -0.159 2.692 9.732
311 HA THR 80 HA THR 80 1.404 4.898 9.190
312 HB THR 80 HB THR 80 2.065 2.215 8.001
313 HG1 THR 80 1HG THR 80 1.544 1.570 10.007
314 HG21 THR 80 3HG2 THR 80 4.274 2.849 8.234
315 HG22 THR 80 1HG2 THR 80 3.922 3.989 9.531
316 HG23 THR 80 2HG2 THR 80 3.509 4.394 7.865
317 H VAL 81 HN VAL 81 0.112 2.570 6.817
318 HA VAL 81 HA VAL 81 1.083 3.710 4.501
319 HB VAL 81 HB VAL 81 -1.653 2.465 4.793
320 HG11 VAL 81 1HG1 VAL 81 0.169 2.959 2.461
321 HG12 VAL 81 2HG1 VAL 81 -1.084 1.719 2.415
322 HG13 VAL 81 3HG1 VAL 81 -1.525 3.410 2.654
323 HG21 VAL 81 3HG2 VAL 81 -0.653 0.550 5.309
324 HG22 VAL 81 1HG2 VAL 81 0.239 0.621 3.790
325 HG23 VAL 81 2HG2 VAL 81 0.925 1.334 5.250
326 H LEU 82 HN LEU 82 -2.136 4.305 5.928
327 HA LEU 82 HA LEU 82 -2.959 6.298 4.186
328 HB2 LEU 82 3HB LEU 82 -3.574 6.020 7.132
329 HB3 LEU 82 2HB LEU 82 -4.475 7.022 5.983
330 HG LEU 82 HG LEU 82 -4.230 4.074 5.529
331 HD11 LEU 82 1HD1 LEU 82 -6.032 3.568 6.915
332 HD12 LEU 82 2HD1 LEU 82 -6.477 5.262 7.117
333 HD13 LEU 82 3HD1 LEU 82 -5.029 4.631 7.902
334 HD21 LEU 82 3HD2 LEU 82 -6.059 4.340 4.149
335 HD22 LEU 82 1HD2 LEU 82 -5.195 5.857 3.900
336 HD23 LEU 82 2HD2 LEU 82 -6.598 5.807 4.968
337 H GLY 83 HN GLY 83 -1.297 6.668 7.317
338 HA2 GLY 83 2HA GLY 83 -1.149 9.425 7.423
339 HA3 GLY 83 3HA GLY 83 0.063 8.346 8.099
340 H GLU 84 HN GLU 84 1.029 7.192 5.740
341 HA GLU 84 HA GLU 84 2.983 9.017 4.971
342 HB2 GLU 84 3HB GLU 84 1.960 6.534 3.581
343 HB3 GLU 84 2HB GLU 84 3.392 7.431 3.055
344 HG2 GLU 84 3HG GLU 84 3.143 6.377 5.855
345 HG3 GLU 84 2HG GLU 84 3.737 5.373 4.527
346 HE2 GLU 84 HE GLU 84 6.470 7.803 4.220
347 H LEU 85 HN LEU 85 -0.090 8.199 3.434
348 HA LEU 85 HA LEU 85 0.366 9.929 1.182
349 HB2 LEU 85 3HB LEU 85 -2.285 8.800 2.064
350 HB3 LEU 85 2HB LEU 85 -1.783 9.288 0.436
351 HG LEU 85 HG LEU 85 -0.536 6.958 1.875
352 HD11 LEU 85 1HD1 LEU 85 -2.182 5.558 1.263
353 HD12 LEU 85 2HD1 LEU 85 -2.501 6.419 -0.242
354 HD13 LEU 85 3HD1 LEU 85 -3.172 7.018 1.275
355 HD21 LEU 85 3HD2 LEU 85 -0.750 7.030 -1.049
356 HD22 LEU 85 1HD2 LEU 85 0.612 6.592 -0.018
357 HD23 LEU 85 2HD2 LEU 85 0.269 8.290 -0.352
358 H VAL 86 HN VAL 86 -1.236 10.142 4.283
359 HA VAL 86 HA VAL 86 -2.820 12.401 3.869
360 HB VAL 86 HB VAL 86 -1.389 11.566 6.396
361 HG11 VAL 86 1HG1 VAL 86 -3.378 13.697 5.803
362 HG12 VAL 86 2HG1 VAL 86 -3.506 12.831 7.336
363 HG13 VAL 86 3HG1 VAL 86 -2.023 13.698 6.932
364 HG21 VAL 86 3HG2 VAL 86 -2.808 9.852 6.394
365 HG22 VAL 86 1HG2 VAL 86 -4.122 11.015 6.571
366 HG23 VAL 86 2HG2 VAL 86 -3.638 10.469 4.966
367 H LYS 87 HN LYS 87 0.604 12.089 4.183
368 HA LYS 87 HA LYS 87 0.864 15.023 4.285
369 HB2 LYS 87 3HB LYS 87 2.627 12.831 5.361
370 HB3 LYS 87 2HB LYS 87 3.251 14.461 5.073
371 HG2 LYS 87 3HG LYS 87 0.769 14.484 6.593
372 HG3 LYS 87 2HG LYS 87 2.058 13.558 7.384
373 HD2 LYS 87 3HD LYS 87 3.518 15.664 6.717
374 HD3 LYS 87 2HD LYS 87 1.934 16.459 6.723
375 HE2 LYS 87 3HE LYS 87 2.604 16.775 8.912
376 HE3 LYS 87 2HE LYS 87 1.654 15.287 9.034
377 HZ1 LYS 87 3HZ LYS 87 4.135 15.555 9.981
378 HZ2 LYS 87 1HZ LYS 87 4.465 14.900 8.455
379 HZ3 LYS 87 2HZ LYS 87 3.457 14.072 9.531
380 H HIS 88 HN HIS 88 2.686 12.171 3.149
381 HA HIS 88 HA HIS 88 4.095 13.609 1.154
382 HB2 HIS 88 3HB HIS 88 4.682 11.352 2.264
383 HB3 HIS 88 2HB HIS 88 3.605 10.641 1.061
384 HD1 HIS 88 1HD HIS 88 5.695 13.532 0.014
385 HD2 HIS 88 2HD HIS 88 5.805 9.384 -0.188
386 HE1 HIS 88 1HE HIS 88 7.507 12.988 -1.642
387 HE2 HIS 88 2HE HIS 88 7.574 10.453 -1.768
388 H GLY 89 HN GLY 89 1.112 11.736 1.145
389 HA2 GLY 89 2HA GLY 89 0.819 11.966 -1.733
390 HA3 GLY 89 3HA GLY 89 -0.311 11.203 -0.624
Start of MODEL 16
1 H1 GLY 41 HN GLY 41 -3.691 -24.962 -9.202
2 HA2 GLY 41 2HA GLY 41 -6.037 -24.123 -10.585
3 HA3 GLY 41 3HA GLY 41 -5.986 -25.113 -9.134
4 HA PRO 42 HA PRO 42 -7.391 -21.791 -6.652
5 HB2 PRO 42 3HB PRO 42 -5.839 -21.950 -4.401
6 HB3 PRO 42 2HB PRO 42 -7.091 -23.124 -4.805
7 HG2 PRO 42 3HG PRO 42 -4.132 -23.263 -5.274
8 HG3 PRO 42 2HG PRO 42 -5.244 -24.526 -4.626
9 HD2 PRO 42 3HD PRO 42 -4.364 -24.525 -7.195
10 HD3 PRO 42 2HD PRO 42 -5.976 -25.102 -6.735
11 H HIS 43 HN HIS 43 -6.777 -20.019 -7.968
12 HA HIS 43 HA HIS 43 -4.161 -18.853 -7.752
13 HB2 HIS 43 3HB HIS 43 -5.418 -18.652 -9.829
14 HB3 HIS 43 2HB HIS 43 -6.714 -17.799 -8.985
15 HD1 HIS 43 1HD HIS 43 -6.257 -15.850 -10.747
16 HD2 HIS 43 2HD HIS 43 -3.222 -16.550 -7.997
17 HE1 HIS 43 1HE HIS 43 -4.787 -13.812 -10.836
18 HE2 HIS 43 2HE HIS 43 -2.931 -14.240 -9.156
19 H MET 44 HN MET 44 -3.740 -18.244 -5.668
20 HA MET 44 HA MET 44 -5.659 -16.614 -4.218
21 HB2 MET 44 3HB MET 44 -2.946 -17.736 -3.496
22 HB3 MET 44 2HB MET 44 -3.878 -16.683 -2.421
23 HG2 MET 44 3HG MET 44 -5.769 -18.379 -2.634
24 HG3 MET 44 2HG MET 44 -4.563 -19.447 -3.358
25 HE1 MET 44 3HE MET 44 -2.524 -20.524 -2.055
26 HE2 MET 44 1HE MET 44 -1.935 -18.870 -1.870
27 HE3 MET 44 2HE MET 44 -1.993 -19.948 -0.474
28 H THR 45 HN THR 45 -5.162 -14.527 -3.382
29 HA THR 45 HA THR 45 -3.439 -12.989 -5.178
30 HB THR 45 HB THR 45 -5.527 -12.048 -3.202
31 HG1 THR 45 1HG THR 45 -6.820 -12.475 -4.812
32 HG21 THR 45 3HG2 THR 45 -3.751 -10.388 -3.509
33 HG22 THR 45 1HG2 THR 45 -5.256 -9.853 -4.257
34 HG23 THR 45 2HG2 THR 45 -3.952 -10.492 -5.258
35 H SER 46 HN SER 46 -1.463 -12.466 -4.542
36 HA SER 46 HA SER 46 -0.429 -12.948 -1.988
37 HB2 SER 46 1HB SER 46 0.732 -12.512 -4.336
38 HB3 SER 46 2HB SER 46 0.828 -10.856 -3.713
39 HG SER 46 HG SER 46 2.651 -12.292 -3.208
40 H GLU 47 HN GLU 47 -0.635 -11.882 -0.141
41 HA GLU 47 HA GLU 47 -2.203 -9.640 0.240
42 HB2 GLU 47 3HB GLU 47 -0.095 -11.007 1.852
43 HB3 GLU 47 2HB GLU 47 -0.666 -9.422 2.393
44 HG2 GLU 47 3HG GLU 47 -2.004 -10.923 3.560
45 HG3 GLU 47 2HG GLU 47 -3.016 -10.398 2.207
46 HE2 GLU 47 HE GLU 47 -3.048 -13.563 0.800
47 H LEU 48 HN LEU 48 1.251 -9.852 -0.400
48 HA LEU 48 HA LEU 48 1.878 -7.146 0.106
49 HB2 LEU 48 3HB LEU 48 3.888 -7.595 -1.314
50 HB3 LEU 48 2HB LEU 48 3.645 -8.725 0.030
51 HG LEU 48 HG LEU 48 2.430 -10.095 -1.946
52 HD11 LEU 48 1HD1 LEU 48 4.790 -9.071 -3.423
53 HD12 LEU 48 2HD1 LEU 48 3.320 -8.098 -3.436
54 HD13 LEU 48 3HD1 LEU 48 3.284 -9.759 -4.027
55 HD21 LEU 48 3HD2 LEU 48 4.893 -10.192 -0.514
56 HD22 LEU 48 1HD2 LEU 48 5.178 -10.708 -2.177
57 HD23 LEU 48 2HD2 LEU 48 3.955 -11.521 -1.199
58 H GLN 49 HN GLN 49 0.726 -8.842 -2.750
59 HA GLN 49 HA GLN 49 1.038 -6.574 -4.487
60 HB2 GLN 49 3HB GLN 49 -0.057 -9.335 -4.721
61 HB3 GLN 49 2HB GLN 49 -0.620 -8.128 -5.886
62 HG2 GLN 49 3HG GLN 49 2.310 -8.500 -5.389
63 HG3 GLN 49 2HG GLN 49 1.425 -9.592 -6.465
64 HE21 GLN 49 1HE2 GLN 49 2.888 -6.541 -6.123
65 HE22 GLN 49 2HE2 GLN 49 2.504 -5.918 -7.688
66 H MET 50 HN MET 50 -1.517 -7.944 -2.526
67 HA MET 50 HA MET 50 -3.637 -6.414 -3.653
68 HB2 MET 50 3HB MET 50 -4.053 -8.494 -2.433
69 HB3 MET 50 2HB MET 50 -3.424 -7.757 -0.952
70 HG2 MET 50 3HG MET 50 -5.302 -6.539 -0.573
71 HG3 MET 50 2HG MET 50 -5.647 -6.350 -2.293
72 HE1 MET 50 3HE MET 50 -6.371 -10.110 0.179
73 HE2 MET 50 1HE MET 50 -5.188 -10.290 -1.116
74 HE3 MET 50 2HE MET 50 -4.936 -9.085 0.147
75 H LYS 51 HN LYS 51 -1.317 -5.887 -1.089
76 HA LYS 51 HA LYS 51 -2.515 -3.782 0.273
77 HB2 LYS 51 3HB LYS 51 0.284 -4.696 -0.169
78 HB3 LYS 51 2HB LYS 51 0.054 -3.062 0.471
79 HG2 LYS 51 3HG LYS 51 -1.415 -4.091 2.256
80 HG3 LYS 51 2HG LYS 51 -0.814 -5.662 1.697
81 HD2 LYS 51 3HD LYS 51 1.543 -4.605 2.000
82 HD3 LYS 51 2HD LYS 51 0.687 -3.430 3.015
83 HE2 LYS 51 3HE LYS 51 -0.302 -5.460 4.236
84 HE3 LYS 51 2HE LYS 51 0.947 -6.399 3.404
85 HZ1 LYS 51 3HZ LYS 51 2.411 -5.760 4.917
86 HZ2 LYS 51 1HZ LYS 51 1.206 -4.906 5.741
87 HZ3 LYS 51 2HZ LYS 51 2.136 -4.130 4.560
88 H VAL 52 HN VAL 52 -0.644 -3.773 -2.717
89 HA VAL 52 HA VAL 52 -0.733 -0.890 -2.939
90 HB VAL 52 HB VAL 52 0.123 -2.879 -5.043
91 HG11 VAL 52 1HG1 VAL 52 -0.298 -0.169 -5.234
92 HG12 VAL 52 2HG1 VAL 52 1.437 -0.282 -4.932
93 HG13 VAL 52 3HG1 VAL 52 0.723 -1.133 -6.301
94 HG21 VAL 52 3HG2 VAL 52 2.443 -2.330 -4.218
95 HG22 VAL 52 1HG2 VAL 52 1.679 -1.627 -2.792
96 HG23 VAL 52 2HG2 VAL 52 1.472 -3.342 -3.148
97 H ASP 53 HN ASP 53 -2.064 -3.636 -4.780
98 HA ASP 53 HA ASP 53 -3.542 -2.238 -6.645
99 HB2 ASP 53 3HB ASP 53 -3.162 -4.802 -6.328
100 HB3 ASP 53 2HB ASP 53 -4.658 -4.725 -5.389
101 HD2 ASP 53 HD ASP 53 -5.267 -5.237 -9.023
102 H PHE 54 HN PHE 54 -4.202 -2.769 -3.269
103 HA PHE 54 HA PHE 54 -6.951 -2.161 -3.264
104 HB2 PHE 54 3HB PHE 54 -5.828 -3.240 -1.370
105 HB3 PHE 54 2HB PHE 54 -4.898 -1.768 -1.077
106 HD1 PHE 54 1HD PHE 54 -8.193 -3.325 -0.799
107 HD2 PHE 54 2HD PHE 54 -5.894 0.182 -0.069
108 HE1 PHE 54 1HE PHE 54 -9.969 -2.473 0.675
109 HE2 PHE 54 2HE PHE 54 -7.666 1.040 1.408
110 HZ PHE 54 HZ PHE 54 -9.706 -0.288 1.782
111 H PHE 55 HN PHE 55 -4.415 -0.061 -1.914
112 HA PHE 55 HA PHE 55 -5.908 2.278 -1.942
113 HB2 PHE 55 3HB PHE 55 -2.962 1.703 -1.931
114 HB3 PHE 55 2HB PHE 55 -3.523 3.367 -2.081
115 HD1 PHE 55 1HD PHE 55 -3.348 0.461 0.134
116 HD2 PHE 55 2HD PHE 55 -4.597 4.512 -0.256
117 HE1 PHE 55 1HE PHE 55 -3.629 0.607 2.575
118 HE2 PHE 55 2HE PHE 55 -4.877 4.664 2.183
119 HZ PHE 55 HZ PHE 55 -4.392 2.710 3.602
120 H ARG 56 HN ARG 56 -4.268 0.664 -4.522
121 HA ARG 56 HA ARG 56 -3.894 2.795 -6.304
122 HB2 ARG 56 3HB ARG 56 -4.257 -0.167 -6.627
123 HB3 ARG 56 2HB ARG 56 -4.206 0.878 -8.055
124 HG2 ARG 56 3HG ARG 56 -2.034 1.390 -6.165
125 HG3 ARG 56 2HG ARG 56 -2.037 -0.249 -6.839
126 HD2 ARG 56 3HD ARG 56 -2.127 2.319 -8.443
127 HD3 ARG 56 2HD ARG 56 -0.705 1.293 -8.202
128 HE ARG 56 HE ARG 56 -2.471 -0.431 -9.268
129 HH11 ARG 56 1HH1 ARG 56 -1.450 2.763 -10.206
130 HH12 ARG 56 2HH1 ARG 56 -1.702 2.488 -11.898
131 HH21 ARG 56 1HH2 ARG 56 -2.807 -0.804 -11.492
132 HH22 ARG 56 2HH2 ARG 56 -2.475 0.458 -12.629
133 H LYS 57 HN LYS 57 -6.745 1.070 -5.359
134 HA LYS 57 HA LYS 57 -8.300 2.167 -7.575
135 HB2 LYS 57 3HB LYS 57 -9.969 0.646 -7.057
136 HB3 LYS 57 2HB LYS 57 -8.501 -0.241 -6.614
137 HG2 LYS 57 3HG LYS 57 -9.054 0.979 -4.264
138 HG3 LYS 57 2HG LYS 57 -10.685 0.759 -4.922
139 HD2 LYS 57 3HD LYS 57 -8.606 -1.416 -4.592
140 HD3 LYS 57 2HD LYS 57 -10.012 -1.152 -3.547
141 HE2 LYS 57 3HE LYS 57 -11.045 -1.258 -6.153
142 HE3 LYS 57 2HE LYS 57 -9.836 -2.547 -6.066
143 HZ1 LYS 57 3HZ LYS 57 -12.371 -2.767 -5.202
144 HZ2 LYS 57 1HZ LYS 57 -11.564 -2.399 -3.761
145 HZ3 LYS 57 2HZ LYS 57 -11.092 -3.741 -4.676
146 H LEU 58 HN LEU 58 -7.605 2.753 -4.257
147 HA LEU 58 HA LEU 58 -9.921 4.114 -3.458
148 HB2 LEU 58 3HB LEU 58 -7.089 4.008 -2.581
149 HB3 LEU 58 2HB LEU 58 -8.045 5.400 -2.043
150 HG LEU 58 HG LEU 58 -7.975 3.576 -0.385
151 HD11 LEU 58 1HD1 LEU 58 -10.722 3.313 -0.694
152 HD12 LEU 58 2HD1 LEU 58 -10.333 4.852 -1.461
153 HD13 LEU 58 3HD1 LEU 58 -9.872 4.561 0.216
154 HD21 LEU 58 3HD2 LEU 58 -7.843 1.660 -1.831
155 HD22 LEU 58 1HD2 LEU 58 -9.416 2.031 -2.536
156 HD23 LEU 58 2HD2 LEU 58 -9.303 1.532 -0.848
157 H GLY 59 HN GLY 59 -7.457 4.993 -5.668
158 HA2 GLY 59 2HA GLY 59 -8.038 6.845 -7.176
159 HA3 GLY 59 3HA GLY 59 -8.543 7.741 -5.750
160 H TYR 60 HN TYR 60 -5.700 5.835 -5.459
161 HA TYR 60 HA TYR 60 -4.103 8.289 -5.358
162 HB2 TYR 60 3HB TYR 60 -3.761 5.536 -4.182
163 HB3 TYR 60 2HB TYR 60 -2.407 6.664 -4.274
164 HD1 TYR 60 1HD TYR 60 -2.803 9.037 -3.258
165 HD2 TYR 60 2HD TYR 60 -5.148 5.616 -2.306
166 HE1 TYR 60 1HE TYR 60 -3.521 10.118 -1.169
167 HE2 TYR 60 2HE TYR 60 -5.872 6.688 -0.214
168 HH TYR 60 HH TYR 60 -6.098 9.011 0.683
169 H SER 61 HN SER 61 -1.646 7.703 -5.878
170 HA SER 61 HA SER 61 -1.678 6.668 -8.627
171 HB2 SER 61 1HB SER 61 0.682 8.156 -7.562
172 HB3 SER 61 2HB SER 61 -0.052 8.195 -9.175
173 HG SER 61 HG SER 61 -1.900 9.226 -7.875
174 H SER 62 HN SER 62 -0.305 5.074 -9.292
175 HA SER 62 HA SER 62 0.511 3.129 -7.485
176 HB2 SER 62 1HB SER 62 2.116 2.526 -9.544
177 HB3 SER 62 2HB SER 62 0.367 2.244 -9.595
178 HG SER 62 HG SER 62 0.618 3.392 -11.378
179 H SER 63 HN SER 63 2.403 5.701 -9.023
180 HA SER 63 HA SER 63 4.914 4.976 -8.019
181 HB2 SER 63 1HB SER 63 4.702 6.600 -9.813
182 HB3 SER 63 2HB SER 63 3.829 7.710 -8.740
183 HG SER 63 HG SER 63 6.357 7.739 -9.126
184 H GLU 64 HN GLU 64 2.190 6.356 -6.463
185 HA GLU 64 HA GLU 64 3.720 7.448 -4.250
186 HB2 GLU 64 3HB GLU 64 0.728 7.191 -4.652
187 HB3 GLU 64 2HB GLU 64 1.516 8.057 -3.324
188 HG2 GLU 64 3HG GLU 64 2.420 8.911 -5.970
189 HG3 GLU 64 2HG GLU 64 0.693 9.166 -5.679
190 HE2 GLU 64 HE GLU 64 3.288 11.412 -3.753
191 H ILE 65 HN ILE 65 1.245 4.922 -4.690
192 HA ILE 65 HA ILE 65 1.453 3.886 -2.070
193 HB ILE 65 HB ILE 65 0.497 2.512 -4.585
194 HG12 ILE 65 1HG1 ILE 65 -1.263 3.614 -2.418
195 HG13 ILE 65 2HG1 ILE 65 -0.626 4.695 -3.667
196 HG21 ILE 65 1HG2 ILE 65 0.751 0.724 -3.194
197 HG22 ILE 65 2HG2 ILE 65 0.573 1.694 -1.734
198 HG23 ILE 65 3HG2 ILE 65 -0.849 1.260 -2.682
199 HD11 ILE 65 3HD1 ILE 65 -2.126 2.188 -4.345
200 HD12 ILE 65 1HD1 ILE 65 -2.926 3.736 -4.073
201 HD13 ILE 65 2HD1 ILE 65 -1.759 3.565 -5.385
202 H HIS 66 HN HIS 66 2.728 2.632 -5.158
203 HA HIS 66 HA HIS 66 4.143 0.472 -4.125
204 HB2 HIS 66 3HB HIS 66 3.721 1.487 -6.618
205 HB3 HIS 66 2HB HIS 66 5.430 1.872 -6.383
206 HD1 HIS 66 1HD HIS 66 4.567 -0.206 -8.485
207 HD2 HIS 66 2HD HIS 66 5.714 -1.143 -4.604
208 HE1 HIS 66 1HE HIS 66 5.329 -2.601 -8.568
209 HE2 HIS 66 2HE HIS 66 6.028 -3.175 -6.196
210 H SER 67 HN SER 67 4.865 3.853 -4.047
211 HA SER 67 HA SER 67 7.667 3.569 -3.522
212 HB2 SER 67 1HB SER 67 5.701 5.805 -3.607
213 HB3 SER 67 2HB SER 67 7.155 6.048 -2.623
214 HG SER 67 HG SER 67 8.360 5.385 -4.536
215 H VAL 68 HN VAL 68 5.013 4.776 -1.463
216 HA VAL 68 HA VAL 68 6.372 4.756 0.947
217 HB VAL 68 HB VAL 68 4.147 4.554 2.039
218 HG11 VAL 68 1HG1 VAL 68 4.312 6.473 -0.283
219 HG12 VAL 68 2HG1 VAL 68 3.211 6.625 1.088
220 HG13 VAL 68 3HG1 VAL 68 4.954 6.729 1.340
221 HG21 VAL 68 3HG2 VAL 68 2.145 4.519 0.567
222 HG22 VAL 68 1HG2 VAL 68 3.202 4.144 -0.795
223 HG23 VAL 68 2HG2 VAL 68 3.059 3.011 0.550
224 H LEU 69 HN LEU 69 4.718 2.122 -0.701
225 HA LEU 69 HA LEU 69 4.853 0.267 1.439
226 HB2 LEU 69 3HB LEU 69 4.128 0.243 -1.407
227 HB3 LEU 69 2HB LEU 69 4.813 -1.280 -0.813
228 HG LEU 69 HG LEU 69 2.335 -1.209 -0.764
229 HD11 LEU 69 1HD1 LEU 69 3.410 -2.751 0.690
230 HD12 LEU 69 2HD1 LEU 69 2.130 -1.969 1.616
231 HD13 LEU 69 3HD1 LEU 69 3.808 -1.481 1.848
232 HD21 LEU 69 3HD2 LEU 69 1.135 0.224 0.635
233 HD22 LEU 69 1HD2 LEU 69 2.332 1.273 -0.124
234 HD23 LEU 69 2HD2 LEU 69 2.575 0.710 1.530
235 H GLN 70 HN GLN 70 7.096 1.273 -1.015
236 HA GLN 70 HA GLN 70 8.852 -0.974 -0.762
237 HB2 GLN 70 3HB GLN 70 8.892 0.221 -2.827
238 HB3 GLN 70 2HB GLN 70 9.185 1.758 -1.997
239 HG2 GLN 70 3HG GLN 70 11.212 0.989 -3.063
240 HG3 GLN 70 2HG GLN 70 11.391 0.961 -1.303
241 HE21 GLN 70 1HE2 GLN 70 13.087 -0.530 -1.482
242 HE22 GLN 70 2HE2 GLN 70 12.794 -2.198 -1.821
243 H LYS 71 HN LYS 71 8.572 2.179 0.736
244 HA LYS 71 HA LYS 71 11.115 1.940 2.101
245 HB2 LYS 71 3HB LYS 71 8.893 3.985 2.188
246 HB3 LYS 71 2HB LYS 71 10.312 4.067 3.244
247 HG2 LYS 71 3HG LYS 71 11.756 4.101 1.211
248 HG3 LYS 71 2HG LYS 71 10.280 4.210 0.238
249 HD2 LYS 71 3HD LYS 71 9.693 6.254 1.681
250 HD3 LYS 71 2HD LYS 71 11.392 6.210 2.184
251 HE2 LYS 71 3HE LYS 71 11.578 7.628 0.397
252 HE3 LYS 71 2HE LYS 71 11.797 6.075 -0.425
253 HZ1 LYS 71 3HZ LYS 71 10.113 6.680 -1.716
254 HZ2 LYS 71 1HZ LYS 71 9.716 7.998 -0.731
255 HZ3 LYS 71 2HZ LYS 71 9.085 6.466 -0.390
256 H LEU 72 HN LEU 72 7.733 1.394 2.757
257 HA LEU 72 HA LEU 72 8.158 1.064 5.605
258 HB2 LEU 72 3HB LEU 72 5.824 1.060 3.760
259 HB3 LEU 72 2HB LEU 72 5.681 0.146 5.271
260 HG LEU 72 HG LEU 72 6.026 2.135 6.577
261 HD11 LEU 72 1HD1 LEU 72 6.376 3.595 3.963
262 HD12 LEU 72 2HD1 LEU 72 7.664 3.218 5.106
263 HD13 LEU 72 3HD1 LEU 72 6.365 4.316 5.573
264 HD21 LEU 72 3HD2 LEU 72 3.809 2.243 6.303
265 HD22 LEU 72 1HD2 LEU 72 3.914 1.949 4.567
266 HD23 LEU 72 2HD2 LEU 72 4.153 3.577 5.201
267 H GLY 73 HN GLY 73 6.951 -1.036 2.977
268 HA2 GLY 73 2HA GLY 73 7.730 -3.238 2.570
269 HA3 GLY 73 3HA GLY 73 8.380 -3.281 4.203
270 H VAL 74 HN VAL 74 7.425 -5.066 5.017
271 HA VAL 74 HA VAL 74 4.530 -5.390 4.713
272 HB VAL 74 HB VAL 74 6.510 -7.305 5.954
273 HG11 VAL 74 1HG1 VAL 74 3.592 -7.393 5.378
274 HG12 VAL 74 2HG1 VAL 74 4.530 -8.879 5.215
275 HG13 VAL 74 3HG1 VAL 74 4.490 -8.024 6.757
276 HG21 VAL 74 3HG2 VAL 74 6.980 -6.845 3.563
277 HG22 VAL 74 1HG2 VAL 74 6.488 -8.512 3.868
278 HG23 VAL 74 2HG2 VAL 74 5.341 -7.367 3.174
279 H GLN 75 HN GLN 75 6.906 -4.445 7.012
280 HA GLN 75 HA GLN 75 5.510 -5.052 9.395
281 HB2 GLN 75 3HB GLN 75 7.615 -2.967 8.782
282 HB3 GLN 75 2HB GLN 75 7.014 -3.317 10.413
283 HG2 GLN 75 3HG GLN 75 8.365 -5.320 8.603
284 HG3 GLN 75 2HG GLN 75 9.154 -4.426 9.910
285 HE21 GLN 75 1HE2 GLN 75 8.865 -5.051 11.999
286 HE22 GLN 75 2HE2 GLN 75 8.006 -6.475 12.463
287 H ALA 76 HN ALA 76 5.070 -2.638 7.008
288 HA ALA 76 HA ALA 76 4.016 -0.497 8.391
289 HB1 ALA 76 1HB ALA 76 3.452 0.276 6.367
290 HB2 ALA 76 2HB ALA 76 4.256 -1.170 5.755
291 HB3 ALA 76 3HB ALA 76 2.506 -1.160 5.976
292 H ASP 77 HN ASP 77 1.634 0.146 8.374
293 HA ASP 77 HA ASP 77 -0.077 -2.131 9.102
294 HB2 ASP 77 3HB ASP 77 -0.299 0.444 10.621
295 HB3 ASP 77 2HB ASP 77 -0.744 -1.195 11.116
296 HD2 ASP 77 HD ASP 77 2.610 0.065 12.383
297 H THR 78 HN THR 78 -2.381 -0.831 9.709
298 HA THR 78 HA THR 78 -3.280 0.000 7.105
299 HB THR 78 HB THR 78 -4.888 0.027 9.661
300 HG1 THR 78 1HG THR 78 -4.798 -2.079 9.604
301 HG21 THR 78 3HG2 THR 78 -5.833 1.163 7.653
302 HG22 THR 78 1HG2 THR 78 -6.792 -0.209 8.207
303 HG23 THR 78 2HG2 THR 78 -5.748 -0.374 6.795
304 H ASN 79 HN ASN 79 -2.354 1.549 10.064
305 HA ASN 79 HA ASN 79 -3.564 4.085 9.312
306 HB2 ASN 79 3HB ASN 79 -3.006 4.868 11.452
307 HB3 ASN 79 2HB ASN 79 -3.413 3.167 11.711
308 HD21 ASN 79 1HD2 ASN 79 -0.996 5.557 11.942
309 HD22 ASN 79 2HD2 ASN 79 0.264 4.553 12.563
310 H THR 80 HN THR 80 -0.407 2.561 9.468
311 HA THR 80 HA THR 80 1.207 4.816 9.107
312 HB THR 80 HB THR 80 1.887 2.164 7.868
313 HG1 THR 80 1HG THR 80 2.091 2.815 10.637
314 HG21 THR 80 3HG2 THR 80 4.094 2.774 8.209
315 HG22 THR 80 1HG2 THR 80 3.693 3.893 9.511
316 HG23 THR 80 2HG2 THR 80 3.347 4.327 7.837
317 H VAL 81 HN VAL 81 -0.070 2.553 6.667
318 HA VAL 81 HA VAL 81 0.960 3.719 4.391
319 HB VAL 81 HB VAL 81 -1.789 2.489 4.643
320 HG11 VAL 81 1HG1 VAL 81 -1.285 1.847 2.233
321 HG12 VAL 81 2HG1 VAL 81 -1.663 3.543 2.541
322 HG13 VAL 81 3HG1 VAL 81 0.011 3.042 2.299
323 HG21 VAL 81 3HG2 VAL 81 -0.822 0.516 4.971
324 HG22 VAL 81 1HG2 VAL 81 0.189 0.738 3.543
325 HG23 VAL 81 2HG2 VAL 81 0.736 1.331 5.111
326 H LEU 82 HN LEU 82 -2.286 4.332 5.750
327 HA LEU 82 HA LEU 82 -3.057 6.362 4.043
328 HB2 LEU 82 3HB LEU 82 -3.680 6.115 6.990
329 HB3 LEU 82 2HB LEU 82 -4.580 7.087 5.815
330 HG LEU 82 HG LEU 82 -4.327 4.134 5.409
331 HD11 LEU 82 1HD1 LEU 82 -5.856 3.568 6.969
332 HD12 LEU 82 2HD1 LEU 82 -6.699 5.113 6.865
333 HD13 LEU 82 3HD1 LEU 82 -5.206 4.983 7.795
334 HD21 LEU 82 3HD2 LEU 82 -5.364 5.983 3.828
335 HD22 LEU 82 1HD2 LEU 82 -6.763 5.751 4.878
336 HD23 LEU 82 2HD2 LEU 82 -6.093 4.384 3.987
337 H GLY 83 HN GLY 83 -1.379 6.676 7.170
338 HA2 GLY 83 2HA GLY 83 -1.184 9.431 7.299
339 HA3 GLY 83 3HA GLY 83 0.007 8.325 7.967
340 H GLU 84 HN GLU 84 1.042 7.176 5.688
341 HA GLU 84 HA GLU 84 3.001 8.956 4.908
342 HB2 GLU 84 3HB GLU 84 1.911 6.522 3.484
343 HB3 GLU 84 2HB GLU 84 3.361 7.393 2.959
344 HG2 GLU 84 3HG GLU 84 3.052 6.209 5.711
345 HG3 GLU 84 2HG GLU 84 3.764 5.342 4.344
346 HE2 GLU 84 HE GLU 84 6.252 7.306 6.329
347 H LEU 85 HN LEU 85 -0.088 8.247 3.346
348 HA LEU 85 HA LEU 85 0.424 10.014 1.133
349 HB2 LEU 85 3HB LEU 85 -2.256 8.916 1.966
350 HB3 LEU 85 2HB LEU 85 -1.731 9.433 0.356
351 HG LEU 85 HG LEU 85 -0.536 7.047 1.747
352 HD11 LEU 85 1HD1 LEU 85 -2.220 5.705 1.133
353 HD12 LEU 85 2HD1 LEU 85 -2.482 6.559 -0.387
354 HD13 LEU 85 3HD1 LEU 85 -3.175 7.188 1.106
355 HD21 LEU 85 3HD2 LEU 85 -0.086 6.429 -0.661
356 HD22 LEU 85 1HD2 LEU 85 0.825 7.803 -0.032
357 HD23 LEU 85 2HD2 LEU 85 -0.567 8.074 -1.081
358 H VAL 86 HN VAL 86 -1.122 10.213 4.249
359 HA VAL 86 HA VAL 86 -2.615 12.577 3.801
360 HB VAL 86 HB VAL 86 -1.513 11.484 6.393
361 HG11 VAL 86 1HG1 VAL 86 -3.741 12.844 7.076
362 HG12 VAL 86 2HG1 VAL 86 -2.116 13.528 7.130
363 HG13 VAL 86 3HG1 VAL 86 -3.159 13.838 5.741
364 HG21 VAL 86 3HG2 VAL 86 -4.357 11.203 5.979
365 HG22 VAL 86 1HG2 VAL 86 -3.442 10.411 4.696
366 HG23 VAL 86 2HG2 VAL 86 -3.153 9.978 6.381
367 H LYS 87 HN LYS 87 0.655 11.978 5.002
368 HA LYS 87 HA LYS 87 1.136 14.842 5.278
369 HB2 LYS 87 3HB LYS 87 2.590 12.354 6.096
370 HB3 LYS 87 2HB LYS 87 3.487 13.874 5.954
371 HG2 LYS 87 3HG LYS 87 1.152 14.459 7.426
372 HG3 LYS 87 2HG LYS 87 1.826 12.958 8.087
373 HD2 LYS 87 3HD LYS 87 3.143 14.331 9.291
374 HD3 LYS 87 2HD LYS 87 4.079 14.450 7.791
375 HE2 LYS 87 3HE LYS 87 1.762 16.294 8.117
376 HE3 LYS 87 2HE LYS 87 3.206 16.597 9.095
377 HZ1 LYS 87 3HZ LYS 87 2.823 17.391 6.518
378 HZ2 LYS 87 1HZ LYS 87 3.847 16.055 6.363
379 HZ3 LYS 87 2HZ LYS 87 4.303 17.361 7.336
380 H HIS 88 HN HIS 88 2.616 12.067 3.597
381 HA HIS 88 HA HIS 88 3.931 13.935 1.761
382 HB2 HIS 88 3HB HIS 88 4.348 10.999 2.340
383 HB3 HIS 88 2HB HIS 88 5.137 11.828 0.994
384 HD1 HIS 88 1HD HIS 88 7.342 11.046 2.390
385 HD2 HIS 88 2HD HIS 88 5.063 14.112 4.026
386 HE1 HIS 88 1HE HIS 88 8.838 12.174 4.068
387 HE2 HIS 88 2HE HIS 88 7.446 14.049 5.067
388 H GLY 89 HN GLY 89 1.534 14.213 1.036
389 HA2 GLY 89 2HA GLY 89 0.835 12.147 -0.942
390 HA3 GLY 89 3HA GLY 89 -0.276 13.336 -0.281
Start of MODEL 17
1 H1 GLY 41 HN GLY 41 -13.808 -16.653 -3.344
2 HA2 GLY 41 2HA GLY 41 -13.774 -19.531 -3.545
3 HA3 GLY 41 3HA GLY 41 -13.533 -18.717 -5.084
4 HA PRO 42 HA PRO 42 -9.395 -19.283 -3.064
5 HB2 PRO 42 3HB PRO 42 -8.162 -20.262 -5.304
6 HB3 PRO 42 2HB PRO 42 -9.046 -21.272 -4.160
7 HG2 PRO 42 3HG PRO 42 -9.960 -20.101 -6.767
8 HG3 PRO 42 2HG PRO 42 -10.181 -21.774 -6.126
9 HD2 PRO 42 3HD PRO 42 -12.150 -19.906 -6.058
10 HD3 PRO 42 2HD PRO 42 -11.952 -21.135 -4.796
11 H HIS 43 HN HIS 43 -8.351 -17.408 -2.888
12 HA HIS 43 HA HIS 43 -8.218 -15.601 -5.183
13 HB2 HIS 43 3HB HIS 43 -7.929 -15.290 -2.224
14 HB3 HIS 43 2HB HIS 43 -7.119 -14.124 -3.273
15 HD1 HIS 43 1HD HIS 43 -9.322 -13.883 -5.461
16 HD2 HIS 43 2HD HIS 43 -10.000 -13.698 -1.366
17 HE1 HIS 43 1HE HIS 43 -11.478 -12.616 -5.193
18 HE2 HIS 43 2HE HIS 43 -11.894 -12.503 -2.691
19 H MET 44 HN MET 44 -6.504 -15.712 -6.463
20 HA MET 44 HA MET 44 -4.070 -16.991 -5.607
21 HB2 MET 44 3HB MET 44 -3.318 -16.722 -7.874
22 HB3 MET 44 2HB MET 44 -5.007 -17.247 -7.903
23 HG2 MET 44 3HG MET 44 -5.762 -15.015 -8.403
24 HG3 MET 44 2HG MET 44 -4.124 -14.388 -8.207
25 HE1 MET 44 3HE MET 44 -6.299 -14.252 -10.834
26 HE2 MET 44 1HE MET 44 -5.984 -15.509 -12.031
27 HE3 MET 44 2HE MET 44 -6.713 -15.931 -10.482
28 H THR 45 HN THR 45 -5.251 -13.749 -5.954
29 HA THR 45 HA THR 45 -2.932 -12.277 -6.233
30 HB THR 45 HB THR 45 -5.157 -11.445 -4.376
31 HG1 THR 45 1HG THR 45 -5.090 -11.487 -7.222
32 HG21 THR 45 3HG2 THR 45 -4.626 -9.210 -5.446
33 HG22 THR 45 1HG2 THR 45 -3.196 -9.980 -6.132
34 HG23 THR 45 2HG2 THR 45 -3.384 -9.870 -4.382
35 H SER 46 HN SER 46 -1.289 -11.650 -4.933
36 HA SER 46 HA SER 46 -0.947 -13.079 -2.443
37 HB2 SER 46 1HB SER 46 0.982 -11.002 -3.444
38 HB3 SER 46 2HB SER 46 1.307 -12.511 -2.573
39 HG SER 46 HG SER 46 0.640 -13.628 -4.499
40 H GLU 47 HN GLU 47 -0.862 -12.219 -0.408
41 HA GLU 47 HA GLU 47 -2.442 -10.047 0.241
42 HB2 GLU 47 3HB GLU 47 -0.121 -11.187 1.816
43 HB3 GLU 47 2HB GLU 47 -1.386 -10.136 2.471
44 HG2 GLU 47 3HG GLU 47 -3.054 -11.783 2.203
45 HG3 GLU 47 2HG GLU 47 -1.999 -12.778 1.189
46 HE2 GLU 47 HE GLU 47 -0.347 -14.098 3.958
47 H LEU 48 HN LEU 48 0.952 -10.149 -0.584
48 HA LEU 48 HA LEU 48 1.560 -7.503 0.300
49 HB2 LEU 48 3HB LEU 48 3.623 -7.781 -1.047
50 HB3 LEU 48 2HB LEU 48 3.332 -9.094 0.108
51 HG LEU 48 HG LEU 48 2.239 -10.212 -2.056
52 HD11 LEU 48 1HD1 LEU 48 4.546 -8.903 -3.375
53 HD12 LEU 48 2HD1 LEU 48 3.050 -7.978 -3.242
54 HD13 LEU 48 3HD1 LEU 48 3.051 -9.538 -4.065
55 HD21 LEU 48 3HD2 LEU 48 3.810 -11.574 -1.217
56 HD22 LEU 48 1HD2 LEU 48 4.895 -10.243 -0.817
57 HD23 LEU 48 2HD2 LEU 48 4.846 -10.877 -2.462
58 H GLN 49 HN GLN 49 0.437 -8.926 -2.702
59 HA GLN 49 HA GLN 49 0.807 -6.539 -4.251
60 HB2 GLN 49 3HB GLN 49 -0.359 -9.241 -4.698
61 HB3 GLN 49 2HB GLN 49 -0.893 -7.933 -5.765
62 HG2 GLN 49 3HG GLN 49 2.031 -8.358 -5.315
63 HG3 GLN 49 2HG GLN 49 1.143 -9.422 -6.416
64 HE21 GLN 49 1HE2 GLN 49 2.576 -6.363 -5.982
65 HE22 GLN 49 2HE2 GLN 49 2.182 -5.698 -7.527
66 H MET 50 HN MET 50 -1.756 -7.945 -2.347
67 HA MET 50 HA MET 50 -3.874 -6.355 -3.368
68 HB2 MET 50 3HB MET 50 -3.975 -8.530 -1.969
69 HB3 MET 50 2HB MET 50 -3.806 -7.455 -0.573
70 HG2 MET 50 3HG MET 50 -5.826 -6.237 -1.258
71 HG3 MET 50 2HG MET 50 -5.997 -7.331 -2.633
72 HE1 MET 50 3HE MET 50 -5.110 -10.277 -0.767
73 HE2 MET 50 1HE MET 50 -6.785 -10.721 -1.101
74 HE3 MET 50 2HE MET 50 -5.840 -9.866 -2.320
75 H LYS 51 HN LYS 51 -1.547 -5.940 -0.765
76 HA LYS 51 HA LYS 51 -2.659 -3.815 0.608
77 HB2 LYS 51 3HB LYS 51 0.065 -4.869 0.177
78 HB3 LYS 51 2HB LYS 51 -0.016 -3.172 0.678
79 HG2 LYS 51 3HG LYS 51 -1.609 -4.036 2.531
80 HG3 LYS 51 2HG LYS 51 -0.900 -5.615 2.154
81 HD2 LYS 51 3HD LYS 51 1.369 -4.602 2.491
82 HD3 LYS 51 2HD LYS 51 0.555 -3.137 3.066
83 HE2 LYS 51 3HE LYS 51 1.255 -4.554 4.939
84 HE3 LYS 51 2HE LYS 51 -0.506 -4.401 4.857
85 HZ1 LYS 51 3HZ LYS 51 0.241 -6.688 5.285
86 HZ2 LYS 51 1HZ LYS 51 1.025 -6.708 3.786
87 HZ3 LYS 51 2HZ LYS 51 -0.658 -6.563 3.857
88 H VAL 52 HN VAL 52 -0.742 -3.775 -2.364
89 HA VAL 52 HA VAL 52 -0.878 -0.887 -2.555
90 HB VAL 52 HB VAL 52 0.105 -2.823 -4.652
91 HG11 VAL 52 1HG1 VAL 52 0.689 -1.036 -5.851
92 HG12 VAL 52 2HG1 VAL 52 -0.326 -0.091 -4.760
93 HG13 VAL 52 3HG1 VAL 52 1.404 -0.237 -4.451
94 HG21 VAL 52 3HG2 VAL 52 1.289 -3.215 -2.551
95 HG22 VAL 52 1HG2 VAL 52 2.347 -2.464 -3.746
96 HG23 VAL 52 2HG2 VAL 52 1.668 -1.496 -2.436
97 H ASP 53 HN ASP 53 -2.111 -3.661 -4.414
98 HA ASP 53 HA ASP 53 -3.518 -2.308 -6.365
99 HB2 ASP 53 3HB ASP 53 -3.181 -4.771 -6.282
100 HB3 ASP 53 2HB ASP 53 -4.393 -4.860 -4.996
101 HD2 ASP 53 HD ASP 53 -6.255 -3.471 -8.115
102 H PHE 54 HN PHE 54 -4.313 -2.778 -3.007
103 HA PHE 54 HA PHE 54 -7.058 -2.190 -3.104
104 HB2 PHE 54 3HB PHE 54 -5.821 -3.162 -1.149
105 HB3 PHE 54 2HB PHE 54 -5.157 -1.558 -0.840
106 HD1 PHE 54 2HD PHE 54 -8.174 -3.616 -0.719
107 HD2 PHE 54 1HD PHE 54 -6.517 0.230 0.041
108 HE1 PHE 54 2HE PHE 54 -10.156 -3.030 0.615
109 HE2 PHE 54 1HE PHE 54 -8.495 0.823 1.377
110 HZ PHE 54 HZ PHE 54 -10.320 -0.807 1.664
111 H PHE 55 HN PHE 55 -4.542 -0.008 -1.837
112 HA PHE 55 HA PHE 55 -6.088 2.310 -1.990
113 HB2 PHE 55 3HB PHE 55 -3.134 1.786 -1.845
114 HB3 PHE 55 2HB PHE 55 -3.723 3.433 -2.066
115 HD1 PHE 55 2HD PHE 55 -5.401 4.348 -0.374
116 HD2 PHE 55 1HD PHE 55 -3.057 0.860 0.300
117 HE1 PHE 55 2HE PHE 55 -5.776 4.568 2.049
118 HE2 PHE 55 1HE PHE 55 -3.428 1.074 2.722
119 HZ PHE 55 HZ PHE 55 -4.789 2.930 3.600
120 H ARG 56 HN ARG 56 -4.373 0.591 -4.436
121 HA ARG 56 HA ARG 56 -3.936 2.655 -6.290
122 HB2 ARG 56 3HB ARG 56 -4.229 -0.323 -6.484
123 HB3 ARG 56 2HB ARG 56 -4.162 0.649 -7.962
124 HG2 ARG 56 3HG ARG 56 -2.058 1.252 -5.996
125 HG3 ARG 56 2HG ARG 56 -1.998 -0.371 -6.701
126 HD2 ARG 56 3HD ARG 56 -2.108 2.226 -8.254
127 HD3 ARG 56 2HD ARG 56 -0.670 1.227 -7.999
128 HE ARG 56 HE ARG 56 -2.368 -0.512 -9.146
129 HH11 ARG 56 1HH1 ARG 56 -1.395 2.721 -9.991
130 HH12 ARG 56 2HH1 ARG 56 -1.596 2.476 -11.694
131 HH21 ARG 56 1HH2 ARG 56 -2.637 -0.847 -11.386
132 HH22 ARG 56 2HH2 ARG 56 -2.304 0.446 -12.487
133 H LYS 57 HN LYS 57 -6.797 0.933 -5.379
134 HA LYS 57 HA LYS 57 -8.277 1.901 -7.704
135 HB2 LYS 57 3HB LYS 57 -9.934 0.371 -7.192
136 HB3 LYS 57 2HB LYS 57 -8.479 -0.463 -6.623
137 HG2 LYS 57 3HG LYS 57 -9.163 0.858 -4.372
138 HG3 LYS 57 2HG LYS 57 -10.758 0.611 -5.103
139 HD2 LYS 57 3HD LYS 57 -10.550 -1.726 -5.087
140 HD3 LYS 57 2HD LYS 57 -8.794 -1.647 -4.862
141 HE2 LYS 57 3HE LYS 57 -8.945 -1.303 -2.611
142 HE3 LYS 57 2HE LYS 57 -10.466 -0.409 -2.754
143 HZ1 LYS 57 3HZ LYS 57 -11.594 -2.532 -3.195
144 HZ2 LYS 57 1HZ LYS 57 -10.856 -2.500 -1.672
145 HZ3 LYS 57 2HZ LYS 57 -10.137 -3.355 -2.942
146 H LEU 58 HN LEU 58 -7.723 2.652 -4.393
147 HA LEU 58 HA LEU 58 -10.089 4.017 -3.760
148 HB2 LEU 58 3HB LEU 58 -7.335 3.888 -2.721
149 HB3 LEU 58 2HB LEU 58 -8.209 5.387 -2.360
150 HG LEU 58 HG LEU 58 -8.336 3.679 -0.561
151 HD11 LEU 58 1HD1 LEU 58 -10.022 5.340 -0.579
152 HD12 LEU 58 2HD1 LEU 58 -10.842 3.798 -0.332
153 HD13 LEU 58 3HD1 LEU 58 -10.870 4.567 -1.919
154 HD21 LEU 58 3HD2 LEU 58 -8.621 1.852 -2.497
155 HD22 LEU 58 1HD2 LEU 58 -10.318 2.114 -2.096
156 HD23 LEU 58 2HD2 LEU 58 -9.185 1.601 -0.845
157 H GLY 59 HN GLY 59 -7.502 4.838 -5.860
158 HA2 GLY 59 2HA GLY 59 -7.988 6.606 -7.486
159 HA3 GLY 59 3HA GLY 59 -8.642 7.549 -6.153
160 H TYR 60 HN TYR 60 -5.718 5.702 -5.767
161 HA TYR 60 HA TYR 60 -4.233 8.222 -5.508
162 HB2 TYR 60 3HB TYR 60 -3.893 5.484 -4.307
163 HB3 TYR 60 2HB TYR 60 -2.540 6.616 -4.354
164 HD1 TYR 60 1HD TYR 60 -3.040 9.023 -3.415
165 HD2 TYR 60 2HD TYR 60 -5.304 5.552 -2.456
166 HE1 TYR 60 1HE TYR 60 -3.846 10.122 -1.367
167 HE2 TYR 60 2HE TYR 60 -6.119 6.641 -0.407
168 HH TYR 60 HH TYR 60 -6.043 9.803 0.149
169 H SER 61 HN SER 61 -1.709 7.644 -5.848
170 HA SER 61 HA SER 61 -1.554 6.729 -8.632
171 HB2 SER 61 1HB SER 61 -0.675 9.061 -7.570
172 HB3 SER 61 2HB SER 61 0.784 8.067 -7.397
173 HG SER 61 HG SER 61 -0.632 8.178 -9.837
174 H SER 62 HN SER 62 -0.274 5.067 -9.251
175 HA SER 62 HA SER 62 0.426 3.070 -7.452
176 HB2 SER 62 1HB SER 62 2.142 2.680 -9.614
177 HB3 SER 62 2HB SER 62 0.496 2.044 -9.451
178 HG SER 62 HG SER 62 0.981 3.334 -11.399
179 H SER 63 HN SER 63 2.422 5.625 -8.871
180 HA SER 63 HA SER 63 4.889 4.783 -7.826
181 HB2 SER 63 1HB SER 63 4.680 6.456 -9.627
182 HB3 SER 63 2HB SER 63 3.982 7.600 -8.467
183 HG SER 63 HG SER 63 6.441 6.460 -7.817
184 H GLU 64 HN GLU 64 2.200 6.395 -6.373
185 HA GLU 64 HA GLU 64 3.688 7.392 -4.111
186 HB2 GLU 64 3HB GLU 64 0.711 7.180 -4.621
187 HB3 GLU 64 2HB GLU 64 1.441 7.975 -3.216
188 HG2 GLU 64 3HG GLU 64 2.400 8.888 -5.855
189 HG3 GLU 64 2HG GLU 64 0.718 9.264 -5.458
190 HE2 GLU 64 HE GLU 64 3.145 11.756 -4.102
191 H ILE 65 HN ILE 65 1.140 4.933 -4.537
192 HA ILE 65 HA ILE 65 1.307 3.891 -1.932
193 HB ILE 65 HB ILE 65 0.399 2.503 -4.457
194 HG12 ILE 65 1HG1 ILE 65 -1.383 3.677 -2.341
195 HG13 ILE 65 2HG1 ILE 65 -0.730 4.702 -3.629
196 HG21 ILE 65 1HG2 ILE 65 0.035 1.803 -1.551
197 HG22 ILE 65 2HG2 ILE 65 -0.904 1.084 -2.858
198 HG23 ILE 65 3HG2 ILE 65 0.842 0.850 -2.796
199 HD11 ILE 65 3HD1 ILE 65 -1.878 3.547 -5.303
200 HD12 ILE 65 1HD1 ILE 65 -2.223 2.180 -4.244
201 HD13 ILE 65 2HD1 ILE 65 -3.043 3.722 -3.990
202 H HIS 66 HN HIS 66 2.970 3.031 -4.923
203 HA HIS 66 HA HIS 66 4.253 0.717 -3.865
204 HB2 HIS 66 3HB HIS 66 3.833 1.413 -6.344
205 HB3 HIS 66 2HB HIS 66 5.347 2.306 -6.167
206 HD1 HIS 66 1HD HIS 66 7.466 1.028 -6.477
207 HD2 HIS 66 2HD HIS 66 4.195 -1.464 -5.884
208 HE1 HIS 66 1HE HIS 66 8.321 -1.306 -6.860
209 HE2 HIS 66 2HE HIS 66 6.322 -2.830 -6.499
210 H SER 67 HN SER 67 4.908 4.107 -3.770
211 HA SER 67 HA SER 67 7.703 3.886 -3.186
212 HB2 SER 67 1HB SER 67 7.257 5.976 -4.044
213 HB3 SER 67 2HB SER 67 5.690 6.087 -3.226
214 HG SER 67 HG SER 67 6.622 6.925 -1.523
215 H VAL 68 HN VAL 68 4.961 4.973 -1.174
216 HA VAL 68 HA VAL 68 6.253 5.008 1.265
217 HB VAL 68 HB VAL 68 4.039 4.702 2.311
218 HG11 VAL 68 1HG1 VAL 68 3.951 6.524 -0.091
219 HG12 VAL 68 2HG1 VAL 68 3.001 6.682 1.387
220 HG13 VAL 68 3HG1 VAL 68 4.751 6.897 1.435
221 HG21 VAL 68 3HG2 VAL 68 2.714 3.249 1.207
222 HG22 VAL 68 1HG2 VAL 68 2.183 4.696 0.350
223 HG23 VAL 68 2HG2 VAL 68 3.407 3.646 -0.365
224 H LEU 69 HN LEU 69 4.859 2.285 -0.463
225 HA LEU 69 HA LEU 69 5.135 0.439 1.708
226 HB2 LEU 69 3HB LEU 69 4.310 0.339 -1.133
227 HB3 LEU 69 2HB LEU 69 4.978 -1.157 -0.455
228 HG LEU 69 HG LEU 69 2.488 -1.000 -0.394
229 HD11 LEU 69 1HD1 LEU 69 2.445 -1.480 2.194
230 HD12 LEU 69 2HD1 LEU 69 4.198 -1.450 1.996
231 HD13 LEU 69 3HD1 LEU 69 3.225 -2.591 1.069
232 HD21 LEU 69 3HD2 LEU 69 2.239 1.359 0.070
233 HD22 LEU 69 1HD2 LEU 69 3.061 1.171 1.619
234 HD23 LEU 69 2HD2 LEU 69 1.488 0.417 1.359
235 H GLN 70 HN GLN 70 7.098 1.417 -1.025
236 HA GLN 70 HA GLN 70 8.963 -0.687 -0.967
237 HB2 GLN 70 3HB GLN 70 8.808 0.815 -2.866
238 HB3 GLN 70 2HB GLN 70 9.291 2.184 -1.851
239 HG2 GLN 70 3HG GLN 70 11.468 0.986 -1.437
240 HG3 GLN 70 2HG GLN 70 10.974 -0.158 -2.694
241 HE21 GLN 70 1HE2 GLN 70 13.218 0.981 -3.251
242 HE22 GLN 70 2HE2 GLN 70 13.068 2.255 -4.406
243 H LYS 71 HN LYS 71 8.598 2.169 0.982
244 HA LYS 71 HA LYS 71 11.226 1.821 2.202
245 HB2 LYS 71 3HB LYS 71 9.153 3.954 2.168
246 HB3 LYS 71 2HB LYS 71 10.161 3.831 3.621
247 HG2 LYS 71 3HG LYS 71 11.321 5.358 2.330
248 HG3 LYS 71 2HG LYS 71 12.145 3.829 1.969
249 HD2 LYS 71 3HD LYS 71 9.840 4.589 0.241
250 HD3 LYS 71 2HD LYS 71 11.350 5.500 0.056
251 HE2 LYS 71 3HE LYS 71 11.509 2.521 0.149
252 HE3 LYS 71 2HE LYS 71 10.881 3.287 -1.318
253 HZ1 LYS 71 3HZ LYS 71 13.142 4.712 -0.658
254 HZ2 LYS 71 1HZ LYS 71 12.979 3.595 -1.918
255 HZ3 LYS 71 2HZ LYS 71 13.564 3.092 -0.413
256 H LEU 72 HN LEU 72 7.811 1.910 3.205
257 HA LEU 72 HA LEU 72 8.263 1.176 5.884
258 HB2 LEU 72 3HB LEU 72 5.923 1.235 4.045
259 HB3 LEU 72 2HB LEU 72 5.783 0.280 5.533
260 HG LEU 72 HG LEU 72 6.129 2.230 6.891
261 HD11 LEU 72 1HD1 LEU 72 7.024 3.407 4.335
262 HD12 LEU 72 2HD1 LEU 72 7.609 3.672 5.977
263 HD13 LEU 72 3HD1 LEU 72 6.134 4.467 5.428
264 HD21 LEU 72 3HD2 LEU 72 3.891 2.214 6.534
265 HD22 LEU 72 1HD2 LEU 72 4.059 2.256 4.779
266 HD23 LEU 72 2HD2 LEU 72 4.258 3.735 5.718
267 H GLY 73 HN GLY 73 7.044 -0.821 3.182
268 HA2 GLY 73 2HA GLY 73 7.879 -3.002 2.702
269 HA3 GLY 73 3HA GLY 73 8.434 -3.122 4.365
270 H VAL 74 HN VAL 74 7.425 -4.959 5.000
271 HA VAL 74 HA VAL 74 4.541 -5.210 4.557
272 HB VAL 74 HB VAL 74 6.512 -7.224 5.648
273 HG11 VAL 74 1HG1 VAL 74 4.577 -8.808 5.124
274 HG12 VAL 74 2HG1 VAL 74 4.429 -7.797 6.562
275 HG13 VAL 74 3HG1 VAL 74 3.566 -7.365 5.087
276 HG21 VAL 74 3HG2 VAL 74 5.552 -6.573 2.927
277 HG22 VAL 74 1HG2 VAL 74 7.095 -7.241 3.459
278 HG23 VAL 74 2HG2 VAL 74 5.679 -8.284 3.336
279 H GLN 75 HN GLN 75 6.873 -4.596 7.038
280 HA GLN 75 HA GLN 75 5.306 -5.290 9.286
281 HB2 GLN 75 3HB GLN 75 6.871 -3.859 10.561
282 HB3 GLN 75 2HB GLN 75 7.701 -5.004 9.494
283 HG2 GLN 75 3HG GLN 75 7.998 -3.191 7.831
284 HG3 GLN 75 2HG GLN 75 7.277 -2.068 8.992
285 HE21 GLN 75 1HE2 GLN 75 10.110 -3.030 7.779
286 HE22 GLN 75 2HE2 GLN 75 11.155 -2.707 9.117
287 H ALA 76 HN ALA 76 5.073 -2.737 7.063
288 HA ALA 76 HA ALA 76 4.173 -0.585 8.536
289 HB1 ALA 76 1HB ALA 76 2.537 -0.703 6.246
290 HB2 ALA 76 2HB ALA 76 4.023 0.219 6.475
291 HB3 ALA 76 3HB ALA 76 4.091 -1.410 5.802
292 H ASP 77 HN ASP 77 1.840 0.227 8.548
293 HA ASP 77 HA ASP 77 -0.029 -1.952 9.183
294 HB2 ASP 77 3HB ASP 77 -0.067 0.564 10.814
295 HB3 ASP 77 2HB ASP 77 -0.627 -1.060 11.239
296 HD2 ASP 77 HD ASP 77 2.747 -2.044 11.912
297 H THR 78 HN THR 78 -2.311 -1.224 9.240
298 HA THR 78 HA THR 78 -3.089 -0.004 6.889
299 HB THR 78 HB THR 78 -4.739 0.016 9.418
300 HG1 THR 78 1HG THR 78 -5.244 -2.078 8.995
301 HG21 THR 78 3HG2 THR 78 -5.643 1.295 7.513
302 HG22 THR 78 1HG2 THR 78 -6.631 -0.114 7.894
303 HG23 THR 78 2HG2 THR 78 -5.539 -0.151 6.510
304 H ASN 79 HN ASN 79 -2.373 1.440 9.996
305 HA ASN 79 HA ASN 79 -3.419 4.027 9.280
306 HB2 ASN 79 3HB ASN 79 -1.486 3.584 11.535
307 HB3 ASN 79 2HB ASN 79 -2.846 4.706 11.437
308 HD21 ASN 79 1HD2 ASN 79 -1.910 2.249 13.150
309 HD22 ASN 79 2HD2 ASN 79 -3.396 1.408 13.415
310 H THR 80 HN THR 80 -0.210 2.554 9.596
311 HA THR 80 HA THR 80 1.393 4.754 9.155
312 HB THR 80 HB THR 80 2.151 2.219 7.780
313 HG1 THR 80 1HG THR 80 2.163 2.439 10.616
314 HG21 THR 80 3HG2 THR 80 4.294 2.783 8.408
315 HG22 THR 80 1HG2 THR 80 3.762 3.652 9.847
316 HG23 THR 80 2HG2 THR 80 3.568 4.382 8.253
317 H VAL 81 HN VAL 81 0.125 2.523 6.677
318 HA VAL 81 HA VAL 81 1.139 3.749 4.424
319 HB VAL 81 HB VAL 81 -1.604 2.499 4.620
320 HG11 VAL 81 1HG1 VAL 81 0.273 3.038 2.334
321 HG12 VAL 81 2HG1 VAL 81 -1.027 1.849 2.230
322 HG13 VAL 81 3HG1 VAL 81 -1.405 3.547 2.521
323 HG21 VAL 81 3HG2 VAL 81 0.154 0.616 3.598
324 HG22 VAL 81 1HG2 VAL 81 1.040 1.352 4.934
325 HG23 VAL 81 2HG2 VAL 81 -0.544 0.629 5.218
326 H LEU 82 HN LEU 82 -2.127 4.274 5.768
327 HA LEU 82 HA LEU 82 -2.922 6.328 4.106
328 HB2 LEU 82 3HB LEU 82 -3.555 5.979 7.041
329 HB3 LEU 82 2HB LEU 82 -4.451 7.003 5.906
330 HG LEU 82 HG LEU 82 -4.196 4.080 5.347
331 HD11 LEU 82 1HD1 LEU 82 -4.941 4.556 7.777
332 HD12 LEU 82 2HD1 LEU 82 -5.901 3.461 6.783
333 HD13 LEU 82 3HD1 LEU 82 -6.436 5.123 7.032
334 HD21 LEU 82 3HD2 LEU 82 -6.599 5.812 4.947
335 HD22 LEU 82 1HD2 LEU 82 -6.079 4.389 4.045
336 HD23 LEU 82 2HD2 LEU 82 -5.233 5.922 3.836
337 H GLY 83 HN GLY 83 -1.241 6.596 7.235
338 HA2 GLY 83 2HA GLY 83 -1.102 9.348 7.445
339 HA3 GLY 83 3HA GLY 83 0.121 8.248 8.065
340 H GLU 84 HN GLU 84 1.234 7.204 5.822
341 HA GLU 84 HA GLU 84 3.056 9.145 5.031
342 HB2 GLU 84 3HB GLU 84 2.261 6.629 3.545
343 HB3 GLU 84 2HB GLU 84 3.741 7.561 3.277
344 HG2 GLU 84 3HG GLU 84 3.146 6.495 6.005
345 HG3 GLU 84 2HG GLU 84 3.788 5.422 4.754
346 HE2 GLU 84 HE GLU 84 6.510 7.091 6.598
347 H LEU 85 HN LEU 85 0.105 8.037 3.425
348 HA LEU 85 HA LEU 85 0.461 9.637 1.096
349 HB2 LEU 85 3HB LEU 85 -2.105 8.500 2.216
350 HB3 LEU 85 2HB LEU 85 -1.816 9.042 0.555
351 HG LEU 85 HG LEU 85 -0.361 6.719 1.807
352 HD11 LEU 85 1HD1 LEU 85 -2.983 6.625 1.515
353 HD12 LEU 85 2HD1 LEU 85 -1.957 5.253 1.101
354 HD13 LEU 85 3HD1 LEU 85 -2.545 6.326 -0.168
355 HD21 LEU 85 3HD2 LEU 85 0.572 6.354 -0.232
356 HD22 LEU 85 1HD2 LEU 85 0.374 8.103 -0.342
357 HD23 LEU 85 2HD2 LEU 85 -0.801 7.033 -1.108
358 H VAL 86 HN VAL 86 -1.026 10.140 4.218
359 HA VAL 86 HA VAL 86 -2.521 12.453 3.565
360 HB VAL 86 HB VAL 86 -1.382 11.615 6.234
361 HG11 VAL 86 1HG1 VAL 86 -3.343 13.035 7.063
362 HG12 VAL 86 2HG1 VAL 86 -1.916 13.883 6.464
363 HG13 VAL 86 3HG1 VAL 86 -3.351 13.739 5.447
364 HG21 VAL 86 3HG2 VAL 86 -4.229 11.298 5.902
365 HG22 VAL 86 1HG2 VAL 86 -3.344 10.393 4.673
366 HG23 VAL 86 2HG2 VAL 86 -3.016 10.111 6.384
367 H LYS 87 HN LYS 87 0.811 11.927 4.504
368 HA LYS 87 HA LYS 87 1.307 14.793 4.722
369 HB2 LYS 87 3HB LYS 87 2.809 12.309 5.409
370 HB3 LYS 87 2HB LYS 87 3.739 13.777 5.070
371 HG2 LYS 87 3HG LYS 87 2.004 14.835 6.777
372 HG3 LYS 87 2HG LYS 87 1.937 13.155 7.340
373 HD2 LYS 87 3HD LYS 87 4.383 13.136 7.598
374 HD3 LYS 87 2HD LYS 87 4.438 14.822 7.055
375 HE2 LYS 87 3HE LYS 87 4.434 15.171 9.315
376 HE3 LYS 87 2HE LYS 87 2.690 15.140 9.017
377 HZ1 LYS 87 3HZ LYS 87 2.630 12.829 9.676
378 HZ2 LYS 87 1HZ LYS 87 3.317 13.761 10.910
379 HZ3 LYS 87 2HZ LYS 87 4.305 12.815 9.915
380 H HIS 88 HN HIS 88 2.821 12.070 2.975
381 HA HIS 88 HA HIS 88 4.322 13.585 1.198
382 HB2 HIS 88 3HB HIS 88 4.215 10.996 1.658
383 HB3 HIS 88 2HB HIS 88 3.099 11.007 0.292
384 HD1 HIS 88 1HD HIS 88 4.387 12.886 -1.656
385 HD2 HIS 88 2HD HIS 88 6.567 10.155 0.590
386 HE1 HIS 88 1HE HIS 88 6.530 12.531 -2.924
387 HE2 HIS 88 2HE HIS 88 7.862 10.862 -1.553
388 H GLY 89 HN GLY 89 1.045 12.260 0.776
389 HA2 GLY 89 2HA GLY 89 -0.637 13.652 -0.293
390 HA3 GLY 89 3HA GLY 89 0.628 14.277 -1.338
Start of MODEL 18
1 H1 GLY 41 HN GLY 41 -8.831 -18.885 -13.258
2 HA2 GLY 41 2HA GLY 41 -8.271 -16.639 -13.321
3 HA3 GLY 41 3HA GLY 41 -9.943 -16.267 -13.711
4 HA PRO 42 HA PRO 42 -9.660 -16.647 -8.883
5 HB2 PRO 42 3HB PRO 42 -7.133 -16.673 -7.829
6 HB3 PRO 42 2HB PRO 42 -8.017 -18.132 -8.273
7 HG2 PRO 42 3HG PRO 42 -5.943 -16.617 -9.823
8 HG3 PRO 42 2HG PRO 42 -6.098 -18.395 -9.561
9 HD2 PRO 42 3HD PRO 42 -6.870 -17.180 -11.863
10 HD3 PRO 42 2HD PRO 42 -7.707 -18.594 -11.200
11 H HIS 43 HN HIS 43 -9.617 -14.908 -7.456
12 HA HIS 43 HA HIS 43 -8.498 -12.434 -8.570
13 HB2 HIS 43 3HB HIS 43 -10.117 -11.236 -7.245
14 HB3 HIS 43 2HB HIS 43 -10.948 -12.517 -8.132
15 HD1 HIS 43 1HD HIS 43 -10.650 -11.153 -4.816
16 HD2 HIS 43 2HD HIS 43 -11.402 -14.910 -6.421
17 HE1 HIS 43 1HE HIS 43 -11.686 -12.485 -2.952
18 HE2 HIS 43 2HE HIS 43 -12.145 -14.783 -3.931
19 H MET 44 HN MET 44 -8.375 -14.560 -5.825
20 HA MET 44 HA MET 44 -7.286 -12.952 -3.865
21 HB2 MET 44 3HB MET 44 -7.106 -15.846 -4.540
22 HB3 MET 44 2HB MET 44 -5.946 -15.209 -3.363
23 HG2 MET 44 3HG MET 44 -7.596 -14.653 -1.822
24 HG3 MET 44 2HG MET 44 -8.866 -14.669 -3.048
25 HE1 MET 44 3HE MET 44 -10.270 -17.405 -0.970
26 HE2 MET 44 1HE MET 44 -10.233 -15.695 -1.400
27 HE3 MET 44 2HE MET 44 -10.723 -16.894 -2.597
28 H THR 45 HN THR 45 -5.090 -12.657 -3.146
29 HA THR 45 HA THR 45 -2.898 -13.199 -4.912
30 HB THR 45 HB THR 45 -3.944 -11.229 -6.026
31 HG1 THR 45 1HG THR 45 -1.966 -10.690 -6.546
32 HG21 THR 45 3HG2 THR 45 -4.464 -10.282 -3.568
33 HG22 THR 45 1HG2 THR 45 -4.338 -9.247 -4.989
34 HG23 THR 45 2HG2 THR 45 -2.963 -9.420 -3.899
35 H SER 46 HN SER 46 -0.847 -12.172 -4.081
36 HA SER 46 HA SER 46 -0.418 -12.817 -1.428
37 HB2 SER 46 1HB SER 46 1.257 -10.654 -2.641
38 HB3 SER 46 2HB SER 46 1.751 -12.098 -1.738
39 HG SER 46 HG SER 46 1.344 -13.350 -3.549
40 H GLU 47 HN GLU 47 -0.640 -11.808 0.480
41 HA GLU 47 HA GLU 47 -2.342 -9.665 0.839
42 HB2 GLU 47 3HB GLU 47 -1.528 -11.342 2.566
43 HB3 GLU 47 2HB GLU 47 -0.090 -10.322 2.732
44 HG2 GLU 47 3HG GLU 47 -1.285 -8.544 3.647
45 HG3 GLU 47 2HG GLU 47 -2.832 -9.173 3.062
46 HE2 GLU 47 HE GLU 47 -3.334 -10.621 6.113
47 H LEU 48 HN LEU 48 1.134 -9.675 0.357
48 HA LEU 48 HA LEU 48 1.531 -6.926 0.996
49 HB2 LEU 48 3HB LEU 48 3.727 -7.228 -0.122
50 HB3 LEU 48 2HB LEU 48 3.383 -8.423 1.141
51 HG LEU 48 HG LEU 48 2.558 -9.831 -0.966
52 HD11 LEU 48 1HD1 LEU 48 3.376 -7.681 -2.315
53 HD12 LEU 48 2HD1 LEU 48 3.485 -9.316 -2.967
54 HD13 LEU 48 3HD1 LEU 48 4.904 -8.559 -2.242
55 HD21 LEU 48 3HD2 LEU 48 4.890 -10.774 -1.051
56 HD22 LEU 48 1HD2 LEU 48 4.173 -10.671 0.557
57 HD23 LEU 48 2HD2 LEU 48 5.371 -9.482 0.048
58 H GLN 49 HN GLN 49 0.754 -8.695 -1.926
59 HA GLN 49 HA GLN 49 1.197 -6.480 -3.691
60 HB2 GLN 49 3HB GLN 49 0.123 -9.247 -3.926
61 HB3 GLN 49 2HB GLN 49 -0.353 -8.079 -5.169
62 HG2 GLN 49 3HG GLN 49 2.534 -8.381 -4.449
63 HG3 GLN 49 2HG GLN 49 1.752 -9.563 -5.508
64 HE21 GLN 49 1HE2 GLN 49 2.941 -6.347 -5.207
65 HE22 GLN 49 2HE2 GLN 49 2.727 -5.881 -6.857
66 H MET 50 HN MET 50 -1.530 -7.795 -1.927
67 HA MET 50 HA MET 50 -3.536 -6.293 -3.273
68 HB2 MET 50 3HB MET 50 -3.798 -8.401 -1.814
69 HB3 MET 50 2HB MET 50 -3.764 -7.285 -0.442
70 HG2 MET 50 3HG MET 50 -5.686 -6.061 -1.448
71 HG3 MET 50 2HG MET 50 -5.757 -7.308 -2.694
72 HE1 MET 50 3HE MET 50 -6.341 -9.909 -2.167
73 HE2 MET 50 1HE MET 50 -4.973 -9.887 -1.054
74 HE3 MET 50 2HE MET 50 -6.533 -10.512 -0.520
75 H LYS 51 HN LYS 51 -1.438 -5.683 -0.542
76 HA LYS 51 HA LYS 51 -2.744 -3.524 0.633
77 HB2 LYS 51 3HB LYS 51 0.028 -4.551 0.543
78 HB3 LYS 51 2HB LYS 51 -0.140 -2.840 0.971
79 HG2 LYS 51 3HG LYS 51 -1.949 -3.733 2.643
80 HG3 LYS 51 2HG LYS 51 -1.066 -5.258 2.442
81 HD2 LYS 51 3HD LYS 51 0.177 -4.445 4.149
82 HD3 LYS 51 2HD LYS 51 1.007 -3.593 2.834
83 HE2 LYS 51 3HE LYS 51 0.548 -1.969 4.517
84 HE3 LYS 51 2HE LYS 51 -0.587 -1.685 3.191
85 HZ1 LYS 51 3HZ LYS 51 -1.151 -3.008 5.783
86 HZ2 LYS 51 1HZ LYS 51 -2.228 -3.034 4.479
87 HZ3 LYS 51 2HZ LYS 51 -1.806 -1.562 5.198
88 H VAL 52 HN VAL 52 -0.776 -3.687 -2.257
89 HA VAL 52 HA VAL 52 -0.701 -0.803 -2.558
90 HB VAL 52 HB VAL 52 0.235 -2.977 -4.437
91 HG11 VAL 52 1HG1 VAL 52 0.340 -1.347 -5.950
92 HG12 VAL 52 2HG1 VAL 52 -0.041 -0.110 -4.750
93 HG13 VAL 52 3HG1 VAL 52 1.627 -0.641 -4.971
94 HG21 VAL 52 3HG2 VAL 52 1.380 -2.784 -2.183
95 HG22 VAL 52 1HG2 VAL 52 2.418 -2.630 -3.601
96 HG23 VAL 52 2HG2 VAL 52 1.929 -1.192 -2.706
97 H ASP 53 HN ASP 53 -1.965 -3.532 -4.478
98 HA ASP 53 HA ASP 53 -3.332 -2.107 -6.401
99 HB2 ASP 53 3HB ASP 53 -2.987 -4.662 -6.132
100 HB3 ASP 53 2HB ASP 53 -4.499 -4.612 -5.215
101 HD2 ASP 53 HD ASP 53 -4.666 -4.384 -9.120
102 H PHE 54 HN PHE 54 -4.204 -2.699 -3.077
103 HA PHE 54 HA PHE 54 -6.936 -2.090 -3.195
104 HB2 PHE 54 3HB PHE 54 -5.936 -3.115 -1.228
105 HB3 PHE 54 2HB PHE 54 -4.956 -1.675 -0.946
106 HD1 PHE 54 1HD PHE 54 -8.563 -1.960 -1.810
107 HD2 PHE 54 2HD PHE 54 -5.656 -0.797 1.074
108 HE1 PHE 54 1HE PHE 54 -10.343 -0.999 -0.409
109 HE2 PHE 54 2HE PHE 54 -7.431 0.166 2.480
110 HZ PHE 54 HZ PHE 54 -9.778 0.064 1.740
111 H PHE 55 HN PHE 55 -4.409 0.064 -1.896
112 HA PHE 55 HA PHE 55 -5.963 2.388 -2.004
113 HB2 PHE 55 3HB PHE 55 -3.003 1.872 -1.860
114 HB3 PHE 55 2HB PHE 55 -3.614 3.521 -2.015
115 HD1 PHE 55 2HD PHE 55 -5.033 4.507 -0.253
116 HD2 PHE 55 1HD PHE 55 -3.188 0.699 0.210
117 HE1 PHE 55 2HE PHE 55 -5.411 4.623 2.175
118 HE2 PHE 55 1HE PHE 55 -3.565 0.809 2.639
119 HZ PHE 55 HZ PHE 55 -4.677 2.774 3.625
120 H ARG 56 HN ARG 56 -4.202 0.721 -4.459
121 HA ARG 56 HA ARG 56 -3.757 2.819 -6.270
122 HB2 ARG 56 3HB ARG 56 -4.116 -0.152 -6.605
123 HB3 ARG 56 2HB ARG 56 -3.854 0.910 -7.996
124 HG2 ARG 56 3HG ARG 56 -1.951 1.129 -5.724
125 HG3 ARG 56 2HG ARG 56 -1.856 -0.305 -6.760
126 HD2 ARG 56 3HD ARG 56 -1.995 1.535 -8.683
127 HD3 ARG 56 2HD ARG 56 -1.306 2.542 -7.400
128 HE ARG 56 HE ARG 56 0.672 1.398 -7.597
129 HH11 ARG 56 1HH1 ARG 56 -1.842 -0.341 -9.262
130 HH12 ARG 56 2HH1 ARG 56 -0.753 -1.468 -10.002
131 HH21 ARG 56 1HH2 ARG 56 2.116 -0.080 -8.566
132 HH22 ARG 56 2HH2 ARG 56 1.497 -1.319 -9.604
133 H LYS 57 HN LYS 57 -6.613 1.020 -5.463
134 HA LYS 57 HA LYS 57 -8.068 2.051 -7.773
135 HB2 LYS 57 3HB LYS 57 -9.703 0.479 -7.348
136 HB3 LYS 57 2HB LYS 57 -8.255 -0.348 -6.750
137 HG2 LYS 57 3HG LYS 57 -9.023 0.908 -4.493
138 HG3 LYS 57 2HG LYS 57 -10.594 0.669 -5.279
139 HD2 LYS 57 3HD LYS 57 -8.548 -1.498 -4.752
140 HD3 LYS 57 2HD LYS 57 -10.012 -1.204 -3.799
141 HE2 LYS 57 3HE LYS 57 -9.918 -1.960 -6.731
142 HE3 LYS 57 2HE LYS 57 -10.348 -3.027 -5.386
143 HZ1 LYS 57 3HZ LYS 57 -12.392 -2.356 -6.153
144 HZ2 LYS 57 1HZ LYS 57 -11.875 -0.790 -6.531
145 HZ3 LYS 57 2HZ LYS 57 -12.128 -1.230 -4.918
146 H LEU 58 HN LEU 58 -7.561 2.726 -4.445
147 HA LEU 58 HA LEU 58 -9.953 4.027 -3.786
148 HB2 LEU 58 3HB LEU 58 -7.167 4.024 -2.772
149 HB3 LEU 58 2HB LEU 58 -8.183 5.402 -2.316
150 HG LEU 58 HG LEU 58 -8.173 3.659 -0.596
151 HD11 LEU 58 1HD1 LEU 58 -10.142 4.654 -0.241
152 HD12 LEU 58 2HD1 LEU 58 -10.842 3.208 -0.967
153 HD13 LEU 58 3HD1 LEU 58 -10.564 4.643 -1.953
154 HD21 LEU 58 3HD2 LEU 58 -9.275 1.950 -2.816
155 HD22 LEU 58 1HD2 LEU 58 -9.418 1.534 -1.108
156 HD23 LEU 58 2HD2 LEU 58 -7.825 1.675 -1.851
157 H GLY 59 HN GLY 59 -7.404 4.943 -5.885
158 HA2 GLY 59 2HA GLY 59 -7.965 6.741 -7.463
159 HA3 GLY 59 3HA GLY 59 -8.577 7.648 -6.088
160 H TYR 60 HN TYR 60 -5.704 5.863 -5.552
161 HA TYR 60 HA TYR 60 -4.205 8.361 -5.362
162 HB2 TYR 60 3HB TYR 60 -3.767 5.571 -4.308
163 HB3 TYR 60 2HB TYR 60 -2.473 6.771 -4.293
164 HD1 TYR 60 1HD TYR 60 -3.076 9.085 -3.204
165 HD2 TYR 60 2HD TYR 60 -5.177 5.462 -2.457
166 HE1 TYR 60 1HE TYR 60 -3.923 10.020 -1.092
167 HE2 TYR 60 2HE TYR 60 -6.031 6.386 -0.344
168 HH TYR 60 HH TYR 60 -4.915 9.474 0.895
169 H SER 61 HN SER 61 -1.673 7.780 -5.769
170 HA SER 61 HA SER 61 -1.582 6.985 -8.595
171 HB2 SER 61 1HB SER 61 -0.243 9.057 -6.996
172 HB3 SER 61 2HB SER 61 0.849 8.158 -8.065
173 HG SER 61 HG SER 61 0.098 9.657 -9.403
174 H SER 62 HN SER 62 -0.255 5.389 -9.309
175 HA SER 62 HA SER 62 0.515 3.341 -7.591
176 HB2 SER 62 1HB SER 62 1.946 2.573 -9.574
177 HB3 SER 62 2HB SER 62 0.210 2.780 -9.872
178 HG SER 62 HG SER 62 2.304 4.563 -10.565
179 H SER 63 HN SER 63 2.419 5.988 -8.964
180 HA SER 63 HA SER 63 4.931 5.161 -8.016
181 HB2 SER 63 1HB SER 63 3.907 7.966 -8.570
182 HB3 SER 63 2HB SER 63 5.610 7.520 -8.355
183 HG SER 63 HG SER 63 5.574 7.146 -10.419
184 H GLU 64 HN GLU 64 2.240 6.611 -6.423
185 HA GLU 64 HA GLU 64 3.769 7.572 -4.167
186 HB2 GLU 64 3HB GLU 64 0.790 7.335 -4.650
187 HB3 GLU 64 2HB GLU 64 1.510 8.035 -3.192
188 HG2 GLU 64 3HG GLU 64 2.448 9.157 -5.758
189 HG3 GLU 64 2HG GLU 64 0.762 9.475 -5.328
190 HE2 GLU 64 HE GLU 64 1.733 11.929 -3.164
191 H ILE 65 HN ILE 65 1.267 5.073 -4.632
192 HA ILE 65 HA ILE 65 1.532 3.934 -2.072
193 HB ILE 65 HB ILE 65 0.549 2.651 -4.624
194 HG12 ILE 65 1HG1 ILE 65 -1.122 3.729 -2.358
195 HG13 ILE 65 2HG1 ILE 65 -0.602 4.766 -3.697
196 HG21 ILE 65 1HG2 ILE 65 1.058 0.898 -3.123
197 HG22 ILE 65 2HG2 ILE 65 0.391 1.780 -1.750
198 HG23 ILE 65 3HG2 ILE 65 -0.683 1.152 -3.000
199 HD11 ILE 65 3HD1 ILE 65 -2.890 3.826 -3.952
200 HD12 ILE 65 1HD1 ILE 65 -1.796 3.458 -5.286
201 HD13 ILE 65 2HD1 ILE 65 -2.161 2.225 -4.077
202 H HIS 66 HN HIS 66 2.862 2.911 -5.213
203 HA HIS 66 HA HIS 66 4.271 0.680 -4.294
204 HB2 HIS 66 3HB HIS 66 3.792 1.602 -6.721
205 HB3 HIS 66 2HB HIS 66 5.382 2.347 -6.517
206 HD1 HIS 66 1HD HIS 66 7.175 0.351 -5.434
207 HD2 HIS 66 2HD HIS 66 4.109 -0.754 -8.011
208 HE1 HIS 66 1HE HIS 66 7.867 -1.870 -6.389
209 HE2 HIS 66 2HE HIS 66 5.992 -2.546 -7.963
210 H SER 67 HN SER 67 4.952 4.057 -4.027
211 HA SER 67 HA SER 67 7.761 3.756 -3.504
212 HB2 SER 67 1HB SER 67 7.384 5.880 -4.292
213 HB3 SER 67 2HB SER 67 5.804 6.002 -3.500
214 HG SER 67 HG SER 67 8.339 6.171 -2.234
215 H VAL 68 HN VAL 68 5.022 4.779 -1.457
216 HA VAL 68 HA VAL 68 6.352 4.741 0.980
217 HB VAL 68 HB VAL 68 4.099 4.390 2.012
218 HG11 VAL 68 1HG1 VAL 68 3.101 6.491 0.933
219 HG12 VAL 68 2HG1 VAL 68 4.694 6.627 1.678
220 HG13 VAL 68 3HG1 VAL 68 4.546 6.499 -0.076
221 HG21 VAL 68 3HG2 VAL 68 3.063 2.953 0.404
222 HG22 VAL 68 1HG2 VAL 68 2.150 4.461 0.447
223 HG23 VAL 68 2HG2 VAL 68 3.272 4.146 -0.877
224 H LEU 69 HN LEU 69 4.730 2.121 -0.745
225 HA LEU 69 HA LEU 69 4.998 0.208 1.344
226 HB2 LEU 69 3HB LEU 69 4.125 0.237 -1.473
227 HB3 LEU 69 2HB LEU 69 4.798 -1.300 -0.901
228 HG LEU 69 HG LEU 69 2.380 -1.300 -0.712
229 HD11 LEU 69 1HD1 LEU 69 2.740 -2.618 1.033
230 HD12 LEU 69 2HD1 LEU 69 2.640 -1.203 2.082
231 HD13 LEU 69 3HD1 LEU 69 4.203 -1.729 1.456
232 HD21 LEU 69 3HD2 LEU 69 2.135 1.163 -0.470
233 HD22 LEU 69 1HD2 LEU 69 2.686 1.012 1.198
234 HD23 LEU 69 2HD2 LEU 69 1.186 0.235 0.692
235 H GLN 70 HN GLN 70 7.046 1.286 -1.256
236 HA GLN 70 HA GLN 70 8.838 -0.939 -1.182
237 HB2 GLN 70 3HB GLN 70 8.721 0.326 -3.205
238 HB3 GLN 70 2HB GLN 70 9.069 1.835 -2.346
239 HG2 GLN 70 3HG GLN 70 11.021 1.135 -3.565
240 HG3 GLN 70 2HG GLN 70 11.321 1.005 -1.825
241 HE21 GLN 70 1HE2 GLN 70 10.166 -0.948 -4.549
242 HE22 GLN 70 2HE2 GLN 70 10.946 -2.408 -4.057
243 H LYS 71 HN LYS 71 8.483 1.986 0.621
244 HA LYS 71 HA LYS 71 11.164 1.755 1.763
245 HB2 LYS 71 3HB LYS 71 9.006 3.831 2.225
246 HB3 LYS 71 2HB LYS 71 10.655 3.892 2.867
247 HG2 LYS 71 3HG LYS 71 10.153 3.735 -0.089
248 HG3 LYS 71 2HG LYS 71 10.103 5.279 0.781
249 HD2 LYS 71 3HD LYS 71 12.379 5.023 1.518
250 HD3 LYS 71 2HD LYS 71 12.443 3.377 0.865
251 HE2 LYS 71 3HE LYS 71 13.483 4.497 -0.843
252 HE3 LYS 71 2HE LYS 71 11.801 4.611 -1.379
253 HZ1 LYS 71 3HZ LYS 71 13.524 6.699 -0.968
254 HZ2 LYS 71 1HZ LYS 71 12.488 6.755 0.367
255 HZ3 LYS 71 2HZ LYS 71 11.852 6.810 -1.199
256 H LEU 72 HN LEU 72 7.808 1.250 2.554
257 HA LEU 72 HA LEU 72 8.373 0.828 5.372
258 HB2 LEU 72 3HB LEU 72 5.935 0.980 3.667
259 HB3 LEU 72 2HB LEU 72 5.843 0.045 5.170
260 HG LEU 72 HG LEU 72 6.449 2.024 6.461
261 HD11 LEU 72 1HD1 LEU 72 6.333 3.561 3.875
262 HD12 LEU 72 2HD1 LEU 72 7.834 3.057 4.650
263 HD13 LEU 72 3HD1 LEU 72 6.746 4.170 5.478
264 HD21 LEU 72 3HD2 LEU 72 4.403 3.472 5.479
265 HD22 LEU 72 1HD2 LEU 72 4.193 2.020 6.460
266 HD23 LEU 72 2HD2 LEU 72 4.085 1.920 4.701
267 H GLY 73 HN GLY 73 6.944 -1.114 2.736
268 HA2 GLY 73 2HA GLY 73 7.648 -3.332 2.225
269 HA3 GLY 73 3HA GLY 73 8.287 -3.473 3.856
270 H VAL 74 HN VAL 74 7.238 -5.241 4.588
271 HA VAL 74 HA VAL 74 4.331 -5.396 4.274
272 HB VAL 74 HB VAL 74 6.214 -7.471 5.401
273 HG11 VAL 74 1HG1 VAL 74 3.289 -7.444 4.763
274 HG12 VAL 74 2HG1 VAL 74 4.206 -8.952 4.737
275 HG13 VAL 74 3HG1 VAL 74 4.107 -8.003 6.221
276 HG21 VAL 74 3HG2 VAL 74 5.655 -6.681 2.672
277 HG22 VAL 74 1HG2 VAL 74 6.868 -7.799 3.297
278 HG23 VAL 74 2HG2 VAL 74 5.233 -8.368 2.964
279 H GLN 75 HN GLN 75 6.741 -4.648 6.595
280 HA GLN 75 HA GLN 75 5.345 -5.317 8.960
281 HB2 GLN 75 3HB GLN 75 6.943 -3.928 10.117
282 HB3 GLN 75 2HB GLN 75 7.781 -4.847 8.856
283 HG2 GLN 75 3HG GLN 75 7.776 -2.888 7.396
284 HG3 GLN 75 2HG GLN 75 6.933 -1.967 8.650
285 HE21 GLN 75 1HE2 GLN 75 9.789 -2.209 7.292
286 HE22 GLN 75 2HE2 GLN 75 10.834 -1.888 8.629
287 H ALA 76 HN ALA 76 4.983 -2.770 6.694
288 HA ALA 76 HA ALA 76 3.992 -0.674 8.186
289 HB1 ALA 76 1HB ALA 76 4.273 -1.132 5.547
290 HB2 ALA 76 2HB ALA 76 2.518 -1.240 5.698
291 HB3 ALA 76 3HB ALA 76 3.359 0.220 6.216
292 H ASP 77 HN ASP 77 1.634 0.045 8.206
293 HA ASP 77 HA ASP 77 -0.160 -2.210 8.788
294 HB2 ASP 77 3HB ASP 77 -0.277 0.258 10.487
295 HB3 ASP 77 2HB ASP 77 -0.789 -1.393 10.866
296 HD2 ASP 77 HD ASP 77 2.662 -0.331 12.125
297 H THR 78 HN THR 78 -2.457 -1.597 8.813
298 HA THR 78 HA THR 78 -3.261 -0.309 6.510
299 HB THR 78 HB THR 78 -4.859 -0.620 9.060
300 HG1 THR 78 1HG THR 78 -4.664 -2.281 6.748
301 HG21 THR 78 3HG2 THR 78 -6.826 -0.463 7.624
302 HG22 THR 78 1HG2 THR 78 -5.795 -0.201 6.217
303 HG23 THR 78 2HG2 THR 78 -5.854 1.004 7.504
304 H ASN 79 HN ASN 79 -2.585 1.039 9.659
305 HA ASN 79 HA ASN 79 -3.748 3.608 9.033
306 HB2 ASN 79 3HB ASN 79 -3.726 2.687 11.347
307 HB3 ASN 79 2HB ASN 79 -1.964 2.832 11.350
308 HD21 ASN 79 1HD2 ASN 79 -4.749 4.311 12.257
309 HD22 ASN 79 2HD2 ASN 79 -4.180 5.935 12.405
310 H THR 80 HN THR 80 -0.485 2.272 9.428
311 HA THR 80 HA THR 80 1.023 4.555 9.081
312 HB THR 80 HB THR 80 1.824 1.944 7.811
313 HG1 THR 80 1HG THR 80 1.486 2.586 10.533
314 HG21 THR 80 3HG2 THR 80 3.465 3.919 9.389
315 HG22 THR 80 1HG2 THR 80 3.265 4.014 7.640
316 HG23 THR 80 2HG2 THR 80 4.041 2.606 8.364
317 H VAL 81 HN VAL 81 -0.161 2.348 6.549
318 HA VAL 81 HA VAL 81 0.915 3.574 4.326
319 HB VAL 81 HB VAL 81 -1.851 2.368 4.458
320 HG11 VAL 81 1HG1 VAL 81 0.086 2.859 2.210
321 HG12 VAL 81 2HG1 VAL 81 -1.271 1.739 2.079
322 HG13 VAL 81 3HG1 VAL 81 -1.566 3.453 2.375
323 HG21 VAL 81 3HG2 VAL 81 -0.174 0.434 3.471
324 HG22 VAL 81 1HG2 VAL 81 0.795 1.173 4.746
325 HG23 VAL 81 2HG2 VAL 81 -0.795 0.508 5.120
326 H LEU 82 HN LEU 82 -2.249 4.242 5.822
327 HA LEU 82 HA LEU 82 -3.040 6.288 4.096
328 HB2 LEU 82 3HB LEU 82 -3.672 5.984 7.037
329 HB3 LEU 82 2HB LEU 82 -4.565 6.977 5.874
330 HG LEU 82 HG LEU 82 -4.328 4.065 5.320
331 HD11 LEU 82 1HD1 LEU 82 -6.546 4.953 7.083
332 HD12 LEU 82 2HD1 LEU 82 -4.980 4.611 7.819
333 HD13 LEU 82 3HD1 LEU 82 -5.813 3.360 6.897
334 HD21 LEU 82 3HD2 LEU 82 -6.819 5.673 5.110
335 HD22 LEU 82 1HD2 LEU 82 -6.208 4.389 4.067
336 HD23 LEU 82 2HD2 LEU 82 -5.511 6.006 3.974
337 H GLY 83 HN GLY 83 -1.461 6.554 7.287
338 HA2 GLY 83 2HA GLY 83 -1.207 9.303 7.417
339 HA3 GLY 83 3HA GLY 83 -0.071 8.174 8.139
340 H GLU 84 HN GLU 84 0.864 6.995 5.723
341 HA GLU 84 HA GLU 84 2.958 8.733 5.081
342 HB2 GLU 84 3HB GLU 84 1.868 6.313 3.633
343 HB3 GLU 84 2HB GLU 84 3.350 7.153 3.150
344 HG2 GLU 84 3HG GLU 84 3.006 6.118 5.945
345 HG3 GLU 84 2HG GLU 84 3.542 5.062 4.629
346 HE2 GLU 84 HE GLU 84 6.063 7.766 6.027
347 H LEU 85 HN LEU 85 -0.104 8.100 3.445
348 HA LEU 85 HA LEU 85 0.522 9.846 1.239
349 HB2 LEU 85 3HB LEU 85 -2.210 8.806 1.959
350 HB3 LEU 85 2HB LEU 85 -1.591 9.281 0.368
351 HG LEU 85 HG LEU 85 -0.551 6.887 1.869
352 HD11 LEU 85 1HD1 LEU 85 -2.537 6.714 -0.361
353 HD12 LEU 85 2HD1 LEU 85 -3.074 6.889 1.309
354 HD13 LEU 85 3HD1 LEU 85 -2.094 5.501 0.839
355 HD21 LEU 85 3HD2 LEU 85 0.270 6.214 -0.304
356 HD22 LEU 85 1HD2 LEU 85 0.868 7.827 0.088
357 HD23 LEU 85 2HD2 LEU 85 -0.465 7.633 -1.053
358 H VAL 86 HN VAL 86 -1.195 10.047 4.275
359 HA VAL 86 HA VAL 86 -2.710 12.346 3.861
360 HB VAL 86 HB VAL 86 -1.348 11.457 6.408
361 HG11 VAL 86 1HG1 VAL 86 -1.979 13.526 7.062
362 HG12 VAL 86 2HG1 VAL 86 -3.180 13.684 5.778
363 HG13 VAL 86 3HG1 VAL 86 -3.554 12.752 7.227
364 HG21 VAL 86 3HG2 VAL 86 -4.220 11.045 6.161
365 HG22 VAL 86 1HG2 VAL 86 -3.291 10.152 4.957
366 HG23 VAL 86 2HG2 VAL 86 -2.956 9.927 6.674
367 H LYS 87 HN LYS 87 0.635 12.027 5.012
368 HA LYS 87 HA LYS 87 0.965 14.929 4.874
369 HB2 LYS 87 3HB LYS 87 2.761 12.739 5.941
370 HB3 LYS 87 2HB LYS 87 3.192 14.457 5.918
371 HG2 LYS 87 3HG LYS 87 0.603 13.888 7.175
372 HG3 LYS 87 2HG LYS 87 2.002 13.170 7.998
373 HD2 LYS 87 3HD LYS 87 3.060 15.293 8.256
374 HD3 LYS 87 2HD LYS 87 1.882 16.069 7.183
375 HE2 LYS 87 3HE LYS 87 1.252 14.823 9.870
376 HE3 LYS 87 2HE LYS 87 1.441 16.552 9.554
377 HZ1 LYS 87 3HZ LYS 87 -0.423 15.442 7.743
378 HZ2 LYS 87 1HZ LYS 87 -0.653 16.668 8.887
379 HZ3 LYS 87 2HZ LYS 87 -0.869 15.049 9.326
380 H HIS 88 HN HIS 88 2.274 11.950 3.492
381 HA HIS 88 HA HIS 88 3.733 13.564 1.510
382 HB2 HIS 88 3HB HIS 88 4.819 11.702 3.051
383 HB3 HIS 88 2HB HIS 88 4.186 10.626 1.801
384 HD1 HIS 88 1HD HIS 88 7.270 11.697 2.527
385 HD2 HIS 88 2HD HIS 88 4.952 12.350 -0.858
386 HE1 HIS 88 1HE HIS 88 8.900 12.246 0.692
387 HE2 HIS 88 2HE HIS 88 7.482 12.645 -1.378
388 H GLY 89 HN GLY 89 1.257 13.673 0.821
389 HA2 GLY 89 2HA GLY 89 0.706 11.417 -0.995
390 HA3 GLY 89 3HA GLY 89 -0.504 12.532 -0.379
Start of MODEL 19
1 H1 GLY 41 HN GLY 41 -8.335 -17.163 2.119
2 HA2 GLY 41 2HA GLY 41 -5.539 -16.377 1.640
3 HA3 GLY 41 3HA GLY 41 -5.902 -18.012 2.172
4 HA PRO 42 HA PRO 42 -7.726 -17.497 -2.297
5 HB2 PRO 42 3HB PRO 42 -6.823 -15.329 -3.707
6 HB3 PRO 42 2HB PRO 42 -8.276 -15.304 -2.708
7 HG2 PRO 42 3HG PRO 42 -5.499 -14.385 -2.046
8 HG3 PRO 42 2HG PRO 42 -7.074 -13.564 -1.741
9 HD2 PRO 42 3HD PRO 42 -5.724 -14.905 0.196
10 HD3 PRO 42 2HD PRO 42 -7.494 -14.845 0.129
11 H HIS 43 HN HIS 43 -6.740 -17.868 -4.449
12 HA HIS 43 HA HIS 43 -4.131 -19.050 -4.149
13 HB2 HIS 43 3HB HIS 43 -6.061 -18.883 -6.471
14 HB3 HIS 43 2HB HIS 43 -4.493 -19.689 -6.576
15 HD1 HIS 43 1HD HIS 43 -6.953 -21.375 -7.040
16 HD2 HIS 43 2HD HIS 43 -5.240 -20.857 -3.291
17 HE1 HIS 43 1HE HIS 43 -7.702 -23.353 -5.680
18 HE2 HIS 43 2HE HIS 43 -6.655 -23.038 -3.389
19 H MET 44 HN MET 44 -5.536 -16.331 -5.914
20 HA MET 44 HA MET 44 -2.825 -15.522 -6.729
21 HB2 MET 44 3HB MET 44 -5.518 -15.221 -7.966
22 HB3 MET 44 2HB MET 44 -4.358 -13.905 -8.206
23 HG2 MET 44 3HG MET 44 -2.749 -15.450 -9.174
24 HG3 MET 44 2HG MET 44 -3.856 -16.795 -8.880
25 HE1 MET 44 3HE MET 44 -2.367 -16.116 -11.302
26 HE2 MET 44 1HE MET 44 -3.447 -16.126 -12.697
27 HE3 MET 44 2HE MET 44 -2.826 -14.598 -12.075
28 H THR 45 HN THR 45 -2.816 -12.977 -7.064
29 HA THR 45 HA THR 45 -2.621 -10.974 -5.996
30 HB THR 45 HB THR 45 -5.327 -11.649 -4.831
31 HG1 THR 45 1HG THR 45 -4.575 -10.543 -7.342
32 HG21 THR 45 3HG2 THR 45 -4.614 -8.889 -5.582
33 HG22 THR 45 1HG2 THR 45 -3.744 -9.549 -4.198
34 HG23 THR 45 2HG2 THR 45 -5.506 -9.489 -4.185
35 H SER 46 HN SER 46 -0.892 -11.978 -4.709
36 HA SER 46 HA SER 46 -1.230 -13.122 -2.197
37 HB2 SER 46 1HB SER 46 0.993 -11.665 -3.567
38 HB3 SER 46 2HB SER 46 1.128 -11.947 -1.821
39 HG SER 46 HG SER 46 2.009 -13.720 -2.776
40 H GLU 47 HN GLU 47 -0.846 -12.216 -0.071
41 HA GLU 47 HA GLU 47 -2.490 -10.036 0.514
42 HB2 GLU 47 3HB GLU 47 -0.503 -11.663 2.018
43 HB3 GLU 47 2HB GLU 47 -0.993 -10.117 2.728
44 HG2 GLU 47 3HG GLU 47 -3.413 -10.993 2.244
45 HG3 GLU 47 2HG GLU 47 -2.607 -12.568 2.239
46 HE2 GLU 47 HE GLU 47 -3.206 -12.439 5.642
47 H LEU 48 HN LEU 48 0.793 -10.153 -0.496
48 HA LEU 48 HA LEU 48 1.478 -7.531 0.502
49 HB2 LEU 48 3HB LEU 48 3.570 -7.851 -0.782
50 HB3 LEU 48 2HB LEU 48 3.224 -9.161 0.362
51 HG LEU 48 HG LEU 48 2.150 -10.195 -1.893
52 HD11 LEU 48 1HD1 LEU 48 3.223 -8.027 -2.979
53 HD12 LEU 48 2HD1 LEU 48 3.194 -9.578 -3.816
54 HD13 LEU 48 3HD1 LEU 48 4.659 -9.052 -2.987
55 HD21 LEU 48 3HD2 LEU 48 3.543 -11.730 -1.084
56 HD22 LEU 48 1HD2 LEU 48 4.579 -10.507 -0.349
57 HD23 LEU 48 2HD2 LEU 48 4.813 -10.960 -2.038
58 H GLN 49 HN GLN 49 0.395 -8.968 -2.507
59 HA GLN 49 HA GLN 49 0.839 -6.603 -4.073
60 HB2 GLN 49 3HB GLN 49 -0.335 -9.297 -4.514
61 HB3 GLN 49 2HB GLN 49 -0.870 -8.000 -5.593
62 HG2 GLN 49 3HG GLN 49 2.055 -8.380 -5.136
63 HG3 GLN 49 2HG GLN 49 1.189 -9.496 -6.202
64 HE21 GLN 49 1HE2 GLN 49 2.814 -6.600 -6.027
65 HE22 GLN 49 2HE2 GLN 49 2.308 -5.914 -7.530
66 H MET 50 HN MET 50 -1.818 -7.985 -2.262
67 HA MET 50 HA MET 50 -3.874 -6.357 -3.330
68 HB2 MET 50 3HB MET 50 -4.069 -8.517 -1.943
69 HB3 MET 50 2HB MET 50 -3.874 -7.466 -0.533
70 HG2 MET 50 3HG MET 50 -5.844 -6.152 -1.280
71 HG3 MET 50 2HG MET 50 -6.061 -7.313 -2.592
72 HE1 MET 50 3HE MET 50 -5.196 -10.071 -0.974
73 HE2 MET 50 1HE MET 50 -6.839 -10.622 -0.647
74 HE3 MET 50 2HE MET 50 -6.448 -9.891 -2.203
75 H LYS 51 HN LYS 51 -1.557 -5.931 -0.734
76 HA LYS 51 HA LYS 51 -2.677 -3.801 0.637
77 HB2 LYS 51 3HB LYS 51 0.023 -4.904 0.253
78 HB3 LYS 51 2HB LYS 51 -0.007 -3.184 0.675
79 HG2 LYS 51 3HG LYS 51 -1.504 -3.788 2.612
80 HG3 LYS 51 2HG LYS 51 -1.132 -5.483 2.250
81 HD2 LYS 51 3HD LYS 51 0.977 -3.383 2.777
82 HD3 LYS 51 2HD LYS 51 0.303 -4.443 4.028
83 HE2 LYS 51 3HE LYS 51 1.600 -5.475 1.499
84 HE3 LYS 51 2HE LYS 51 2.474 -5.216 3.018
85 HZ1 LYS 51 3HZ LYS 51 1.676 -7.529 2.660
86 HZ2 LYS 51 1HZ LYS 51 0.087 -6.962 2.793
87 HZ3 LYS 51 2HZ LYS 51 1.143 -6.833 4.107
88 H VAL 52 HN VAL 52 -0.799 -3.799 -2.353
89 HA VAL 52 HA VAL 52 -0.903 -0.906 -2.551
90 HB VAL 52 HB VAL 52 0.086 -2.864 -4.625
91 HG11 VAL 52 1HG1 VAL 52 1.393 -0.288 -4.481
92 HG12 VAL 52 2HG1 VAL 52 0.631 -1.090 -5.856
93 HG13 VAL 52 3HG1 VAL 52 -0.342 -0.121 -4.748
94 HG21 VAL 52 3HG2 VAL 52 2.342 -1.894 -3.537
95 HG22 VAL 52 1HG2 VAL 52 1.305 -1.910 -2.111
96 HG23 VAL 52 2HG2 VAL 52 1.583 -3.398 -3.015
97 H ASP 53 HN ASP 53 -2.149 -3.691 -4.381
98 HA ASP 53 HA ASP 53 -3.539 -2.355 -6.356
99 HB2 ASP 53 3HB ASP 53 -3.192 -4.890 -5.991
100 HB3 ASP 53 2HB ASP 53 -4.671 -4.805 -5.026
101 HD2 ASP 53 HD ASP 53 -5.462 -3.621 -8.687
102 H PHE 54 HN PHE 54 -4.351 -2.775 -2.993
103 HA PHE 54 HA PHE 54 -7.089 -2.150 -3.116
104 HB2 PHE 54 3HB PHE 54 -6.052 -3.144 -1.134
105 HB3 PHE 54 2HB PHE 54 -5.111 -1.674 -0.877
106 HD1 PHE 54 1HD PHE 54 -8.431 -3.179 -0.631
107 HD2 PHE 54 2HD PHE 54 -6.118 0.339 -0.004
108 HE1 PHE 54 1HE PHE 54 -10.243 -2.236 0.742
109 HE2 PHE 54 2HE PHE 54 -7.925 1.287 1.371
110 HZ PHE 54 HZ PHE 54 -9.991 -0.001 1.745
111 H PHE 55 HN PHE 55 -4.603 0.007 -1.762
112 HA PHE 55 HA PHE 55 -6.084 2.342 -1.945
113 HB2 PHE 55 3HB PHE 55 -3.133 1.783 -1.844
114 HB3 PHE 55 2HB PHE 55 -3.715 3.438 -2.032
115 HD1 PHE 55 1HD PHE 55 -5.233 4.418 -0.289
116 HD2 PHE 55 2HD PHE 55 -3.151 0.749 0.276
117 HE1 PHE 55 1HE PHE 55 -5.568 4.607 2.141
118 HE2 PHE 55 2HE PHE 55 -3.484 0.931 2.707
119 HZ PHE 55 HZ PHE 55 -4.694 2.861 3.643
120 H ARG 56 HN ARG 56 -4.334 0.632 -4.394
121 HA ARG 56 HA ARG 56 -3.906 2.673 -6.254
122 HB2 ARG 56 3HB ARG 56 -4.292 -0.297 -6.472
123 HB3 ARG 56 2HB ARG 56 -4.167 0.693 -7.934
124 HG2 ARG 56 3HG ARG 56 -2.067 1.243 -5.972
125 HG3 ARG 56 2HG ARG 56 -2.066 -0.417 -6.591
126 HD2 ARG 56 3HD ARG 56 -2.018 2.109 -8.259
127 HD3 ARG 56 2HD ARG 56 -0.656 1.020 -7.962
128 HE ARG 56 HE ARG 56 -2.829 0.616 -9.808
129 HH11 ARG 56 1HH1 ARG 56 -0.311 -0.905 -7.945
130 HH12 ARG 56 2HH1 ARG 56 -0.217 -2.300 -8.969
131 HH21 ARG 56 1HH2 ARG 56 -2.715 -1.215 -11.163
132 HH22 ARG 56 2HH2 ARG 56 -1.584 -2.476 -10.799
133 H LYS 57 HN LYS 57 -6.798 0.998 -5.338
134 HA LYS 57 HA LYS 57 -8.271 2.023 -7.642
135 HB2 LYS 57 3HB LYS 57 -9.959 0.521 -7.135
136 HB3 LYS 57 2HB LYS 57 -8.514 -0.351 -6.596
137 HG2 LYS 57 3HG LYS 57 -9.149 0.949 -4.318
138 HG3 LYS 57 2HG LYS 57 -10.757 0.740 -5.034
139 HD2 LYS 57 3HD LYS 57 -10.346 -1.672 -5.273
140 HD3 LYS 57 2HD LYS 57 -8.745 -1.458 -4.542
141 HE2 LYS 57 3HE LYS 57 -10.299 -2.269 -2.866
142 HE3 LYS 57 2HE LYS 57 -9.817 -0.609 -2.491
143 HZ1 LYS 57 3HZ LYS 57 -12.144 -0.662 -4.130
144 HZ2 LYS 57 1HZ LYS 57 -11.910 0.069 -2.622
145 HZ3 LYS 57 2HZ LYS 57 -12.380 -1.553 -2.712
146 H LEU 58 HN LEU 58 -7.686 2.721 -4.325
147 HA LEU 58 HA LEU 58 -10.019 4.115 -3.650
148 HB2 LEU 58 3HB LEU 58 -7.219 4.028 -2.678
149 HB3 LEU 58 2HB LEU 58 -8.177 5.449 -2.228
150 HG LEU 58 HG LEU 58 -8.187 3.711 -0.490
151 HD11 LEU 58 1HD1 LEU 58 -10.953 3.794 -1.616
152 HD12 LEU 58 2HD1 LEU 58 -10.168 5.281 -1.085
153 HD13 LEU 58 3HD1 LEU 58 -10.415 3.959 0.056
154 HD21 LEU 58 3HD2 LEU 58 -9.448 2.056 -2.667
155 HD22 LEU 58 1HD2 LEU 58 -9.560 1.654 -0.953
156 HD23 LEU 58 2HD2 LEU 58 -7.984 1.706 -1.745
157 H GLY 59 HN GLY 59 -7.470 4.917 -5.798
158 HA2 GLY 59 2HA GLY 59 -7.978 6.707 -7.396
159 HA3 GLY 59 3HA GLY 59 -8.569 7.650 -6.036
160 H TYR 60 HN TYR 60 -5.721 5.785 -5.541
161 HA TYR 60 HA TYR 60 -4.164 8.257 -5.386
162 HB2 TYR 60 3HB TYR 60 -3.848 5.505 -4.212
163 HB3 TYR 60 2HB TYR 60 -2.477 6.615 -4.279
164 HD1 TYR 60 2HD TYR 60 -2.934 9.030 -3.320
165 HD2 TYR 60 1HD TYR 60 -5.206 5.573 -2.323
166 HE1 TYR 60 2HE TYR 60 -3.681 10.124 -1.248
167 HE2 TYR 60 1HE TYR 60 -5.959 6.658 -0.249
168 HH TYR 60 HH TYR 60 -5.659 9.926 0.328
169 H SER 61 HN SER 61 -1.659 7.638 -5.784
170 HA SER 61 HA SER 61 -1.579 6.722 -8.572
171 HB2 SER 61 1HB SER 61 -0.173 8.810 -7.038
172 HB3 SER 61 2HB SER 61 0.870 7.860 -8.112
173 HG SER 61 HG SER 61 0.105 9.039 -9.661
174 H SER 62 HN SER 62 -0.322 5.050 -9.213
175 HA SER 62 HA SER 62 0.409 3.055 -7.428
176 HB2 SER 62 1HB SER 62 1.779 2.137 -9.348
177 HB3 SER 62 2HB SER 62 0.087 2.495 -9.733
178 HG SER 62 HG SER 62 0.690 4.227 -10.893
179 H SER 63 HN SER 63 2.379 5.617 -8.865
180 HA SER 63 HA SER 63 4.866 4.767 -7.873
181 HB2 SER 63 1HB SER 63 4.213 7.684 -8.206
182 HB3 SER 63 2HB SER 63 5.707 6.816 -8.604
183 HG SER 63 HG SER 63 4.803 7.047 -10.543
184 H GLU 64 HN GLU 64 2.204 6.363 -6.358
185 HA GLU 64 HA GLU 64 3.738 7.334 -4.113
186 HB2 GLU 64 3HB GLU 64 0.754 7.167 -4.592
187 HB3 GLU 64 2HB GLU 64 1.503 7.923 -3.179
188 HG2 GLU 64 3HG GLU 64 2.426 8.866 -5.830
189 HG3 GLU 64 2HG GLU 64 0.774 9.286 -5.354
190 HE2 GLU 64 HE GLU 64 2.394 11.975 -3.870
191 H ILE 65 HN ILE 65 1.153 4.911 -4.520
192 HA ILE 65 HA ILE 65 1.344 3.842 -1.929
193 HB ILE 65 HB ILE 65 0.395 2.481 -4.453
194 HG12 ILE 65 1HG1 ILE 65 -1.345 3.673 -2.310
195 HG13 ILE 65 2HG1 ILE 65 -0.705 4.684 -3.616
196 HG21 ILE 65 1HG2 ILE 65 0.837 0.814 -2.809
197 HG22 ILE 65 2HG2 ILE 65 0.059 1.768 -1.548
198 HG23 ILE 65 3HG2 ILE 65 -0.908 1.069 -2.846
199 HD11 ILE 65 3HD1 ILE 65 -3.037 3.715 -3.919
200 HD12 ILE 65 1HD1 ILE 65 -1.903 3.543 -5.259
201 HD13 ILE 65 2HD1 ILE 65 -2.227 2.173 -4.196
202 H HIS 66 HN HIS 66 2.987 3.020 -4.937
203 HA HIS 66 HA HIS 66 4.256 0.677 -3.914
204 HB2 HIS 66 3HB HIS 66 3.809 1.369 -6.380
205 HB3 HIS 66 2HB HIS 66 5.312 2.282 -6.226
206 HD1 HIS 66 1HD HIS 66 7.410 1.040 -6.689
207 HD2 HIS 66 2HD HIS 66 4.250 -1.511 -5.814
208 HE1 HIS 66 1HE HIS 66 8.299 -1.283 -7.060
209 HE2 HIS 66 2HE HIS 66 6.368 -2.843 -6.524
210 H SER 67 HN SER 67 4.956 4.067 -3.846
211 HA SER 67 HA SER 67 7.749 3.821 -3.291
212 HB2 SER 67 1HB SER 67 7.307 5.921 -4.127
213 HB3 SER 67 2HB SER 67 5.750 6.036 -3.286
214 HG SER 67 HG SER 67 6.710 6.881 -1.610
215 H VAL 68 HN VAL 68 5.038 4.892 -1.231
216 HA VAL 68 HA VAL 68 6.370 4.909 1.190
217 HB VAL 68 HB VAL 68 4.167 4.593 2.266
218 HG11 VAL 68 1HG1 VAL 68 4.685 6.814 1.658
219 HG12 VAL 68 2HG1 VAL 68 4.365 6.504 -0.049
220 HG13 VAL 68 3HG1 VAL 68 3.032 6.541 1.106
221 HG21 VAL 68 3HG2 VAL 68 2.741 3.241 1.192
222 HG22 VAL 68 1HG2 VAL 68 2.334 4.661 0.227
223 HG23 VAL 68 2HG2 VAL 68 3.525 3.504 -0.366
224 H LEU 69 HN LEU 69 4.966 2.205 -0.552
225 HA LEU 69 HA LEU 69 5.297 0.347 1.615
226 HB2 LEU 69 3HB LEU 69 4.339 0.259 -1.188
227 HB3 LEU 69 2HB LEU 69 5.000 -1.246 -0.526
228 HG LEU 69 HG LEU 69 2.520 -1.036 -0.362
229 HD11 LEU 69 1HD1 LEU 69 2.507 -1.571 2.166
230 HD12 LEU 69 2HD1 LEU 69 4.259 -1.417 2.042
231 HD13 LEU 69 3HD1 LEU 69 3.410 -2.621 1.074
232 HD21 LEU 69 3HD2 LEU 69 2.343 1.334 0.086
233 HD22 LEU 69 1HD2 LEU 69 3.221 1.142 1.603
234 HD23 LEU 69 2HD2 LEU 69 1.622 0.422 1.414
235 H GLN 70 HN GLN 70 7.153 1.376 -1.158
236 HA GLN 70 HA GLN 70 8.978 -0.756 -1.281
237 HB2 GLN 70 3HB GLN 70 8.862 0.771 -3.111
238 HB3 GLN 70 2HB GLN 70 9.228 2.148 -2.058
239 HG2 GLN 70 3HG GLN 70 11.484 1.388 -1.730
240 HG3 GLN 70 2HG GLN 70 11.143 -0.104 -2.616
241 HE21 GLN 70 1HE2 GLN 70 12.926 2.391 -2.972
242 HE22 GLN 70 2HE2 GLN 70 12.714 2.784 -4.641
243 H LYS 71 HN LYS 71 8.724 1.964 0.860
244 HA LYS 71 HA LYS 71 11.369 1.409 1.996
245 HB2 LYS 71 3HB LYS 71 9.434 3.689 2.472
246 HB3 LYS 71 2HB LYS 71 11.005 3.513 3.271
247 HG2 LYS 71 3HG LYS 71 10.897 3.512 0.288
248 HG3 LYS 71 2HG LYS 71 10.733 5.043 1.166
249 HD2 LYS 71 3HD LYS 71 12.850 4.470 2.400
250 HD3 LYS 71 2HD LYS 71 13.037 3.102 1.288
251 HE2 LYS 71 3HE LYS 71 13.354 4.490 -0.575
252 HE3 LYS 71 2HE LYS 71 12.655 5.889 0.252
253 HZ1 LYS 71 3HZ LYS 71 14.617 5.777 1.788
254 HZ2 LYS 71 1HZ LYS 71 14.973 6.221 0.194
255 HZ3 LYS 71 2HZ LYS 71 15.304 4.651 0.728
256 H LEU 72 HN LEU 72 7.947 1.564 2.859
257 HA LEU 72 HA LEU 72 8.283 0.954 5.601
258 HB2 LEU 72 3HB LEU 72 5.988 0.847 3.675
259 HB3 LEU 72 2HB LEU 72 5.824 0.153 5.298
260 HG LEU 72 HG LEU 72 6.776 2.965 5.050
261 HD11 LEU 72 1HD1 LEU 72 3.875 2.698 5.261
262 HD12 LEU 72 2HD1 LEU 72 4.522 2.234 3.687
263 HD13 LEU 72 3HD1 LEU 72 4.849 3.841 4.335
264 HD21 LEU 72 3HD2 LEU 72 5.659 3.208 7.159
265 HD22 LEU 72 1HD2 LEU 72 6.654 1.753 7.219
266 HD23 LEU 72 2HD2 LEU 72 4.909 1.620 6.998
267 H GLY 73 HN GLY 73 7.145 -1.111 2.916
268 HA2 GLY 73 2HA GLY 73 7.842 -3.327 2.513
269 HA3 GLY 73 3HA GLY 73 8.536 -3.378 4.128
270 H VAL 74 HN VAL 74 7.582 -5.057 5.098
271 HA VAL 74 HA VAL 74 4.696 -5.442 4.789
272 HB VAL 74 HB VAL 74 6.687 -7.253 6.159
273 HG11 VAL 74 1HG1 VAL 74 3.782 -7.319 5.737
274 HG12 VAL 74 2HG1 VAL 74 4.628 -8.817 5.340
275 HG13 VAL 74 3HG1 VAL 74 4.772 -8.121 6.955
276 HG21 VAL 74 3HG2 VAL 74 5.612 -7.333 3.341
277 HG22 VAL 74 1HG2 VAL 74 7.283 -7.047 3.828
278 HG23 VAL 74 2HG2 VAL 74 6.541 -8.623 4.104
279 H GLN 75 HN GLN 75 7.037 -4.321 7.041
280 HA GLN 75 HA GLN 75 5.636 -4.806 9.448
281 HB2 GLN 75 3HB GLN 75 7.529 -2.506 8.939
282 HB3 GLN 75 2HB GLN 75 7.182 -3.311 10.478
283 HG2 GLN 75 3HG GLN 75 8.121 -5.428 9.292
284 HG3 GLN 75 2HG GLN 75 8.856 -4.251 8.197
285 HE21 GLN 75 1HE2 GLN 75 10.489 -5.851 9.593
286 HE22 GLN 75 2HE2 GLN 75 11.298 -4.971 10.841
287 H ALA 76 HN ALA 76 5.195 -2.527 6.923
288 HA ALA 76 HA ALA 76 4.081 -0.339 8.177
289 HB1 ALA 76 1HB ALA 76 4.353 -1.178 5.576
290 HB2 ALA 76 2HB ALA 76 2.604 -1.113 5.788
291 HB3 ALA 76 3HB ALA 76 3.583 0.319 6.102
292 H ASP 77 HN ASP 77 1.695 0.266 8.103
293 HA ASP 77 HA ASP 77 -0.066 -1.980 8.750
294 HB2 ASP 77 3HB ASP 77 -0.122 0.427 10.539
295 HB3 ASP 77 2HB ASP 77 -0.661 -1.227 10.865
296 HD2 ASP 77 HD ASP 77 3.118 -0.308 11.536
297 H THR 78 HN THR 78 -2.351 -1.366 8.806
298 HA THR 78 HA THR 78 -3.171 0.031 6.574
299 HB THR 78 HB THR 78 -4.809 -0.283 9.095
300 HG1 THR 78 1HG THR 78 -5.123 -2.332 8.525
301 HG21 THR 78 3HG2 THR 78 -6.720 -0.183 7.657
302 HG22 THR 78 1HG2 THR 78 -5.705 -0.188 6.215
303 HG23 THR 78 2HG2 THR 78 -5.705 1.211 7.290
304 H ASN 79 HN ASN 79 -2.448 1.230 9.769
305 HA ASN 79 HA ASN 79 -3.646 3.812 9.328
306 HB2 ASN 79 3HB ASN 79 -3.326 2.629 11.585
307 HB3 ASN 79 2HB ASN 79 -1.638 3.144 11.474
308 HD21 ASN 79 1HD2 ASN 79 -1.968 4.377 13.375
309 HD22 ASN 79 2HD2 ASN 79 -2.756 5.913 13.306
310 H THR 80 HN THR 80 -0.304 2.622 9.662
311 HA THR 80 HA THR 80 1.055 4.975 9.188
312 HB THR 80 HB THR 80 1.855 2.200 8.288
313 HG1 THR 80 1HG THR 80 2.184 3.654 10.702
314 HG21 THR 80 3HG2 THR 80 3.487 3.336 7.225
315 HG22 THR 80 1HG2 THR 80 4.166 3.519 8.841
316 HG23 THR 80 2HG2 THR 80 3.195 4.814 8.141
317 H VAL 81 HN VAL 81 -0.085 2.602 6.798
318 HA VAL 81 HA VAL 81 0.927 3.718 4.490
319 HB VAL 81 HB VAL 81 -1.817 2.482 4.747
320 HG11 VAL 81 1HG1 VAL 81 0.011 3.058 2.453
321 HG12 VAL 81 2HG1 VAL 81 -1.101 1.690 2.374
322 HG13 VAL 81 3HG1 VAL 81 -1.726 3.323 2.596
323 HG21 VAL 81 3HG2 VAL 81 0.736 1.348 5.277
324 HG22 VAL 81 1HG2 VAL 81 -0.841 0.560 5.273
325 HG23 VAL 81 2HG2 VAL 81 0.111 0.635 3.790
326 H LEU 82 HN LEU 82 -2.239 4.408 5.975
327 HA LEU 82 HA LEU 82 -3.035 6.378 4.153
328 HB2 LEU 82 3HB LEU 82 -3.742 6.100 7.079
329 HB3 LEU 82 2HB LEU 82 -4.605 7.100 5.900
330 HG LEU 82 HG LEU 82 -4.354 4.181 5.361
331 HD11 LEU 82 1HD1 LEU 82 -5.889 3.496 6.892
332 HD12 LEU 82 2HD1 LEU 82 -6.655 5.080 7.003
333 HD13 LEU 82 3HD1 LEU 82 -5.123 4.782 7.825
334 HD21 LEU 82 3HD2 LEU 82 -6.248 4.491 4.081
335 HD22 LEU 82 1HD2 LEU 82 -5.435 6.046 3.895
336 HD23 LEU 82 2HD2 LEU 82 -6.785 5.886 5.020
337 H GLY 83 HN GLY 83 -1.463 6.720 7.333
338 HA2 GLY 83 2HA GLY 83 -1.290 9.502 7.379
339 HA3 GLY 83 3HA GLY 83 -0.186 8.414 8.208
340 H GLU 84 HN GLU 84 0.656 7.167 5.659
341 HA GLU 84 HA GLU 84 2.851 8.883 5.113
342 HB2 GLU 84 3HB GLU 84 1.840 6.380 3.753
343 HB3 GLU 84 2HB GLU 84 3.326 7.214 3.273
344 HG2 GLU 84 3HG GLU 84 3.024 6.482 6.136
345 HG3 GLU 84 2HG GLU 84 3.328 5.185 4.972
346 HE2 GLU 84 HE GLU 84 6.558 6.360 4.317
347 H LEU 85 HN LEU 85 -0.195 8.230 3.489
348 HA LEU 85 HA LEU 85 0.511 9.847 1.192
349 HB2 LEU 85 3HB LEU 85 -2.234 8.808 1.863
350 HB3 LEU 85 2HB LEU 85 -1.562 9.216 0.275
351 HG LEU 85 HG LEU 85 -0.528 6.912 1.909
352 HD11 LEU 85 1HD1 LEU 85 -2.771 6.942 -0.100
353 HD12 LEU 85 2HD1 LEU 85 -2.857 6.464 1.595
354 HD13 LEU 85 3HD1 LEU 85 -1.945 5.483 0.447
355 HD21 LEU 85 3HD2 LEU 85 0.252 6.132 -0.284
356 HD22 LEU 85 1HD2 LEU 85 0.930 7.704 0.135
357 HD23 LEU 85 2HD2 LEU 85 -0.392 7.596 -1.026
358 H VAL 86 HN VAL 86 -1.217 10.185 4.192
359 HA VAL 86 HA VAL 86 -2.817 12.395 3.669
360 HB VAL 86 HB VAL 86 -1.358 11.683 6.216
361 HG11 VAL 86 1HG1 VAL 86 -3.346 13.072 7.179
362 HG12 VAL 86 2HG1 VAL 86 -1.897 13.894 6.595
363 HG13 VAL 86 3HG1 VAL 86 -3.341 13.825 5.584
364 HG21 VAL 86 3HG2 VAL 86 -3.370 10.328 4.932
365 HG22 VAL 86 1HG2 VAL 86 -3.000 10.228 6.654
366 HG23 VAL 86 2HG2 VAL 86 -4.252 11.330 6.083
367 H LYS 87 HN LYS 87 0.624 12.203 4.330
368 HA LYS 87 HA LYS 87 0.813 15.120 3.944
369 HB2 LYS 87 3HB LYS 87 2.666 13.277 5.471
370 HB3 LYS 87 2HB LYS 87 2.934 15.008 5.216
371 HG2 LYS 87 3HG LYS 87 1.948 15.254 7.206
372 HG3 LYS 87 2HG LYS 87 0.442 15.011 6.301
373 HD2 LYS 87 3HD LYS 87 0.502 12.618 6.789
374 HD3 LYS 87 2HD LYS 87 2.030 12.833 7.661
375 HE2 LYS 87 3HE LYS 87 1.030 13.911 9.447
376 HE3 LYS 87 2HE LYS 87 -0.345 14.448 8.472
377 HZ1 LYS 87 3HZ LYS 87 -1.295 12.784 9.689
378 HZ2 LYS 87 1HZ LYS 87 0.113 11.849 9.753
379 HZ3 LYS 87 2HZ LYS 87 -0.805 11.898 8.334
380 H HIS 88 HN HIS 88 1.891 11.987 2.932
381 HA HIS 88 HA HIS 88 3.173 11.274 1.192
382 HB2 HIS 88 3HB HIS 88 2.292 13.993 0.261
383 HB3 HIS 88 2HB HIS 88 3.409 13.036 -0.718
384 HD1 HIS 88 1HD HIS 88 2.304 10.289 -0.694
385 HD2 HIS 88 2HD HIS 88 -0.153 13.636 -0.848
386 HE1 HIS 88 1HE HIS 88 0.131 9.483 -1.670
387 HE2 HIS 88 2HE HIS 88 -1.371 11.528 -1.764
388 H GLY 89 HN GLY 89 4.547 12.272 3.441
389 HA2 GLY 89 2HA GLY 89 7.132 12.204 2.899
390 HA3 GLY 89 3HA GLY 89 6.771 13.845 2.382
Start of MODEL 20
1 H1 GLY 41 HN GLY 41 -12.865 -18.394 -7.172
2 HA2 GLY 41 2HA GLY 41 -10.404 -17.033 -7.969
3 HA3 GLY 41 3HA GLY 41 -11.124 -17.023 -6.367
4 HA PRO 42 HA PRO 42 -8.823 -21.262 -6.802
5 HB2 PRO 42 3HB PRO 42 -7.205 -21.554 -8.993
6 HB3 PRO 42 2HB PRO 42 -8.904 -22.022 -8.969
7 HG2 PRO 42 3HG PRO 42 -7.638 -19.504 -9.995
8 HG3 PRO 42 2HG PRO 42 -8.901 -20.540 -10.761
9 HD2 PRO 42 3HD PRO 42 -9.486 -18.214 -9.488
10 HD3 PRO 42 2HD PRO 42 -10.576 -19.610 -9.480
11 H HIS 43 HN HIS 43 -7.053 -18.570 -8.323
12 HA HIS 43 HA HIS 43 -4.725 -19.150 -6.656
13 HB2 HIS 43 3HB HIS 43 -4.467 -18.700 -9.103
14 HB3 HIS 43 2HB HIS 43 -5.033 -17.052 -8.813
15 HD1 HIS 43 1HD HIS 43 -2.228 -19.296 -7.550
16 HD2 HIS 43 2HD HIS 43 -3.036 -15.296 -8.331
17 HE1 HIS 43 1HE HIS 43 -0.068 -18.079 -7.128
18 HE2 HIS 43 2HE HIS 43 -0.561 -15.633 -7.605
19 H MET 44 HN MET 44 -4.835 -18.333 -4.663
20 HA MET 44 HA MET 44 -6.407 -16.145 -3.877
21 HB2 MET 44 3HB MET 44 -5.440 -17.987 -2.415
22 HB3 MET 44 2HB MET 44 -3.920 -17.082 -2.452
23 HG2 MET 44 3HG MET 44 -4.854 -15.240 -1.303
24 HG3 MET 44 2HG MET 44 -6.495 -15.846 -1.539
25 HE1 MET 44 3HE MET 44 -7.603 -16.126 0.167
26 HE2 MET 44 1HE MET 44 -7.577 -17.806 0.701
27 HE3 MET 44 2HE MET 44 -7.101 -16.521 1.811
28 H THR 45 HN THR 45 -5.720 -14.058 -3.091
29 HA THR 45 HA THR 45 -3.631 -12.915 -4.790
30 HB THR 45 HB THR 45 -5.739 -11.543 -3.108
31 HG1 THR 45 1HG THR 45 -5.521 -12.027 -5.909
32 HG21 THR 45 3HG2 THR 45 -3.781 -10.403 -5.107
33 HG22 THR 45 1HG2 THR 45 -3.743 -10.155 -3.362
34 HG23 THR 45 2HG2 THR 45 -5.079 -9.509 -4.316
35 H SER 46 HN SER 46 -1.673 -12.575 -3.994
36 HA SER 46 HA SER 46 -0.884 -13.036 -1.378
37 HB2 SER 46 1HB SER 46 0.566 -11.051 -3.125
38 HB3 SER 46 2HB SER 46 1.237 -12.241 -1.996
39 HG SER 46 HG SER 46 1.397 -13.519 -3.642
40 H GLU 47 HN GLU 47 -0.968 -11.913 0.459
41 HA GLU 47 HA GLU 47 -2.518 -9.657 0.811
42 HB2 GLU 47 3HB GLU 47 -0.177 -10.577 2.495
43 HB3 GLU 47 2HB GLU 47 -1.420 -9.426 3.011
44 HG2 GLU 47 3HG GLU 47 -3.136 -11.155 2.779
45 HG3 GLU 47 2HG GLU 47 -1.889 -12.307 2.276
46 HE2 GLU 47 HE GLU 47 -0.728 -12.693 5.536
47 H LEU 48 HN LEU 48 0.941 -9.889 0.178
48 HA LEU 48 HA LEU 48 1.540 -7.154 0.583
49 HB2 LEU 48 3HB LEU 48 3.591 -7.646 -0.745
50 HB3 LEU 48 2HB LEU 48 3.310 -8.745 0.619
51 HG LEU 48 HG LEU 48 2.188 -10.212 -1.302
52 HD11 LEU 48 1HD1 LEU 48 2.941 -9.879 -3.414
53 HD12 LEU 48 2HD1 LEU 48 4.454 -9.146 -2.883
54 HD13 LEU 48 3HD1 LEU 48 2.964 -8.204 -2.864
55 HD21 LEU 48 3HD2 LEU 48 4.907 -10.010 -0.189
56 HD22 LEU 48 1HD2 LEU 48 4.751 -10.975 -1.657
57 HD23 LEU 48 2HD2 LEU 48 3.792 -11.376 -0.232
58 H GLN 49 HN GLN 49 0.401 -8.983 -2.184
59 HA GLN 49 HA GLN 49 0.793 -6.867 -4.072
60 HB2 GLN 49 3HB GLN 49 -0.476 -9.562 -4.087
61 HB3 GLN 49 2HB GLN 49 -0.978 -8.413 -5.334
62 HG2 GLN 49 3HG GLN 49 1.933 -8.906 -4.848
63 HG3 GLN 49 2HG GLN 49 0.976 -10.052 -5.797
64 HE21 GLN 49 1HE2 GLN 49 2.406 -6.917 -5.697
65 HE22 GLN 49 2HE2 GLN 49 2.094 -6.487 -7.341
66 H MET 50 HN MET 50 -1.860 -7.983 -2.057
67 HA MET 50 HA MET 50 -3.861 -6.358 -3.260
68 HB2 MET 50 3HB MET 50 -4.201 -8.428 -1.809
69 HB3 MET 50 2HB MET 50 -3.894 -7.372 -0.422
70 HG2 MET 50 3HG MET 50 -5.779 -5.917 -1.211
71 HG3 MET 50 2HG MET 50 -6.135 -7.159 -2.413
72 HE1 MET 50 3HE MET 50 -6.501 -9.807 -1.604
73 HE2 MET 50 1HE MET 50 -5.161 -9.681 -0.465
74 HE3 MET 50 2HE MET 50 -6.738 -10.243 0.090
75 H LYS 51 HN LYS 51 -1.540 -5.884 -0.682
76 HA LYS 51 HA LYS 51 -2.592 -3.652 0.581
77 HB2 LYS 51 3HB LYS 51 0.094 -4.831 0.236
78 HB3 LYS 51 2HB LYS 51 0.071 -3.110 0.654
79 HG2 LYS 51 3HG LYS 51 -1.597 -3.853 2.515
80 HG3 LYS 51 2HG LYS 51 -0.883 -5.452 2.237
81 HD2 LYS 51 3HD LYS 51 1.393 -4.208 2.458
82 HD3 LYS 51 2HD LYS 51 0.422 -2.954 3.246
83 HE2 LYS 51 3HE LYS 51 1.309 -4.421 4.942
84 HE3 LYS 51 2HE LYS 51 -0.438 -4.663 4.821
85 HZ1 LYS 51 3HZ LYS 51 0.794 -6.439 3.052
86 HZ2 LYS 51 1HZ LYS 51 -0.078 -6.799 4.456
87 HZ3 LYS 51 2HZ LYS 51 1.595 -6.567 4.536
88 H VAL 52 HN VAL 52 -0.779 -3.887 -2.429
89 HA VAL 52 HA VAL 52 -0.694 -1.007 -2.760
90 HB VAL 52 HB VAL 52 0.118 -3.184 -4.692
91 HG11 VAL 52 1HG1 VAL 52 1.476 -0.673 -5.006
92 HG12 VAL 52 2HG1 VAL 52 0.531 -1.588 -6.182
93 HG13 VAL 52 3HG1 VAL 52 -0.269 -0.439 -5.110
94 HG21 VAL 52 3HG2 VAL 52 2.408 -1.961 -3.792
95 HG22 VAL 52 1HG2 VAL 52 1.415 -2.057 -2.337
96 HG23 VAL 52 2HG2 VAL 52 1.792 -3.521 -3.246
97 H ASP 53 HN ASP 53 -2.092 -3.744 -4.570
98 HA ASP 53 HA ASP 53 -3.513 -2.332 -6.462
99 HB2 ASP 53 3HB ASP 53 -3.211 -4.885 -6.161
100 HB3 ASP 53 2HB ASP 53 -4.668 -4.787 -5.164
101 HD2 ASP 53 HD ASP 53 -6.607 -3.895 -8.002
102 H PHE 54 HN PHE 54 -4.246 -2.831 -3.089
103 HA PHE 54 HA PHE 54 -6.966 -2.169 -3.093
104 HB2 PHE 54 3HB PHE 54 -5.802 -3.162 -1.162
105 HB3 PHE 54 2HB PHE 54 -4.914 -1.656 -0.931
106 HD1 PHE 54 2HD PHE 54 -6.034 0.362 -0.125
107 HD2 PHE 54 1HD PHE 54 -8.098 -3.344 -0.473
108 HE1 PHE 54 2HE PHE 54 -7.831 1.232 1.312
109 HE2 PHE 54 1HE PHE 54 -9.899 -2.480 0.963
110 HZ PHE 54 HZ PHE 54 -9.767 -0.189 1.858
111 H PHE 55 HN PHE 55 -4.356 -0.027 -1.955
112 HA PHE 55 HA PHE 55 -5.889 2.318 -2.097
113 HB2 PHE 55 3HB PHE 55 -2.934 1.768 -1.961
114 HB3 PHE 55 2HB PHE 55 -3.528 3.419 -2.148
115 HD1 PHE 55 1HD PHE 55 -4.957 4.441 -0.403
116 HD2 PHE 55 2HD PHE 55 -3.077 0.661 0.141
117 HE1 PHE 55 1HE PHE 55 -5.314 4.615 2.026
118 HE2 PHE 55 2HE PHE 55 -3.432 0.829 2.569
119 HZ PHE 55 HZ PHE 55 -4.552 2.808 3.514
120 H ARG 56 HN ARG 56 -4.248 0.528 -4.527
121 HA ARG 56 HA ARG 56 -3.763 2.583 -6.398
122 HB2 ARG 56 3HB ARG 56 -4.100 -0.397 -6.599
123 HB3 ARG 56 2HB ARG 56 -3.932 0.592 -8.058
124 HG2 ARG 56 3HG ARG 56 -1.922 0.998 -5.914
125 HG3 ARG 56 2HG ARG 56 -1.851 -0.513 -6.834
126 HD2 ARG 56 3HD ARG 56 -2.095 1.115 -8.903
127 HD3 ARG 56 2HD ARG 56 -1.444 2.292 -7.754
128 HE ARG 56 HE ARG 56 0.597 1.260 -7.893
129 HH11 ARG 56 1HH1 ARG 56 -1.842 -0.829 -9.239
130 HH12 ARG 56 2HH1 ARG 56 -0.700 -1.973 -9.867
131 HH21 ARG 56 1HH2 ARG 56 2.109 -0.239 -8.715
132 HH22 ARG 56 2HH2 ARG 56 1.545 -1.636 -9.567
133 H LYS 57 HN LYS 57 -6.631 0.890 -5.470
134 HA LYS 57 HA LYS 57 -8.099 1.816 -7.819
135 HB2 LYS 57 3HB LYS 57 -9.760 0.299 -7.288
136 HB3 LYS 57 2HB LYS 57 -8.312 -0.525 -6.682
137 HG2 LYS 57 3HG LYS 57 -9.012 0.848 -4.472
138 HG3 LYS 57 2HG LYS 57 -10.604 0.599 -5.214
139 HD2 LYS 57 3HD LYS 57 -8.583 -1.579 -4.637
140 HD3 LYS 57 2HD LYS 57 -10.011 -1.211 -3.655
141 HE2 LYS 57 3HE LYS 57 -9.980 -2.164 -6.529
142 HE3 LYS 57 2HE LYS 57 -10.491 -3.081 -5.104
143 HZ1 LYS 57 3HZ LYS 57 -11.858 -0.843 -6.443
144 HZ2 LYS 57 1HZ LYS 57 -12.164 -1.162 -4.810
145 HZ3 LYS 57 2HZ LYS 57 -12.477 -2.346 -5.976
146 H LEU 58 HN LEU 58 -7.549 2.636 -4.526
147 HA LEU 58 HA LEU 58 -9.918 4.031 -3.944
148 HB2 LEU 58 3HB LEU 58 -7.153 3.950 -2.879
149 HB3 LEU 58 2HB LEU 58 -8.107 5.394 -2.499
150 HG LEU 58 HG LEU 58 -8.192 3.696 -0.719
151 HD11 LEU 58 1HD1 LEU 58 -10.318 4.219 -0.197
152 HD12 LEU 58 2HD1 LEU 58 -10.953 3.645 -1.738
153 HD13 LEU 58 3HD1 LEU 58 -10.203 5.237 -1.633
154 HD21 LEU 58 3HD2 LEU 58 -9.570 1.650 -1.157
155 HD22 LEU 58 1HD2 LEU 58 -7.994 1.665 -1.950
156 HD23 LEU 58 2HD2 LEU 58 -9.452 2.015 -2.880
157 H GLY 59 HN GLY 59 -7.287 4.787 -6.013
158 HA2 GLY 59 2HA GLY 59 -7.677 6.529 -7.673
159 HA3 GLY 59 3HA GLY 59 -8.411 7.490 -6.397
160 H TYR 60 HN TYR 60 -5.558 5.731 -5.615
161 HA TYR 60 HA TYR 60 -4.118 8.242 -5.289
162 HB2 TYR 60 3HB TYR 60 -3.774 5.445 -4.263
163 HB3 TYR 60 2HB TYR 60 -2.393 6.542 -4.259
164 HD1 TYR 60 2HD TYR 60 -2.678 8.818 -3.091
165 HD2 TYR 60 1HD TYR 60 -5.325 5.539 -2.502
166 HE1 TYR 60 2HE TYR 60 -3.446 9.824 -0.982
167 HE2 TYR 60 1HE TYR 60 -6.101 6.537 -0.393
168 HH TYR 60 HH TYR 60 -4.583 9.406 0.951
169 H SER 61 HN SER 61 -1.686 8.115 -5.757
170 HA SER 61 HA SER 61 -1.398 7.342 -8.548
171 HB2 SER 61 1HB SER 61 -0.538 9.535 -7.085
172 HB3 SER 61 2HB SER 61 0.937 8.572 -7.293
173 HG SER 61 HG SER 61 0.352 10.135 -9.022
174 H SER 62 HN SER 62 -0.053 5.795 -9.307
175 HA SER 62 HA SER 62 0.703 3.660 -7.685
176 HB2 SER 62 1HB SER 62 1.876 2.778 -9.607
177 HB3 SER 62 2HB SER 62 0.391 3.567 -10.167
178 HG SER 62 HG SER 62 2.942 4.127 -10.809
179 H SER 63 HN SER 63 2.569 6.435 -8.818
180 HA SER 63 HA SER 63 5.100 5.612 -7.959
181 HB2 SER 63 1HB SER 63 4.386 7.663 -9.402
182 HB3 SER 63 2HB SER 63 4.249 8.492 -7.841
183 HG SER 63 HG SER 63 6.583 7.044 -8.399
184 H GLU 64 HN GLU 64 2.365 6.727 -6.185
185 HA GLU 64 HA GLU 64 3.929 7.329 -3.805
186 HB2 GLU 64 3HB GLU 64 0.917 7.284 -4.068
187 HB3 GLU 64 2HB GLU 64 1.887 8.098 -2.829
188 HG2 GLU 64 3HG GLU 64 2.729 9.088 -5.347
189 HG3 GLU 64 2HG GLU 64 0.959 9.109 -5.315
190 HE2 GLU 64 HE GLU 64 0.879 11.610 -2.921
191 H ILE 65 HN ILE 65 1.213 5.168 -4.631
192 HA ILE 65 HA ILE 65 1.251 3.664 -2.281
193 HB ILE 65 HB ILE 65 0.437 2.765 -5.048
194 HG12 ILE 65 1HG1 ILE 65 -1.547 3.467 -2.951
195 HG13 ILE 65 2HG1 ILE 65 -0.651 4.812 -3.677
196 HG21 ILE 65 1HG2 ILE 65 0.804 0.867 -3.584
197 HG22 ILE 65 2HG2 ILE 65 -0.210 1.602 -2.343
198 HG23 ILE 65 3HG2 ILE 65 -0.922 1.087 -3.872
199 HD11 ILE 65 3HD1 ILE 65 -2.940 3.694 -4.678
200 HD12 ILE 65 1HD1 ILE 65 -1.809 4.709 -5.571
201 HD13 ILE 65 2HD1 ILE 65 -1.677 2.953 -5.660
202 H HIS 66 HN HIS 66 3.210 3.446 -5.164
203 HA HIS 66 HA HIS 66 4.343 0.888 -4.438
204 HB2 HIS 66 3HB HIS 66 3.979 1.890 -6.825
205 HB3 HIS 66 2HB HIS 66 5.512 2.713 -6.516
206 HD1 HIS 66 1HD HIS 66 7.527 1.467 -7.213
207 HD2 HIS 66 2HD HIS 66 4.334 -1.076 -6.435
208 HE1 HIS 66 1HE HIS 66 8.347 -0.839 -7.790
209 HE2 HIS 66 2HE HIS 66 6.397 -2.394 -7.317
210 H SER 67 HN SER 67 5.065 4.246 -3.985
211 HA SER 67 HA SER 67 7.833 3.852 -3.313
212 HB2 SER 67 1HB SER 67 7.220 5.990 -4.221
213 HB3 SER 67 2HB SER 67 5.966 6.210 -2.988
214 HG SER 67 HG SER 67 7.524 7.252 -2.008
215 H VAL 68 HN VAL 68 4.993 4.877 -1.408
216 HA VAL 68 HA VAL 68 6.125 4.797 1.106
217 HB VAL 68 HB VAL 68 3.857 4.412 1.994
218 HG11 VAL 68 1HG1 VAL 68 3.861 6.344 -0.321
219 HG12 VAL 68 2HG1 VAL 68 2.854 6.424 1.125
220 HG13 VAL 68 3HG1 VAL 68 4.599 6.654 1.250
221 HG21 VAL 68 3HG2 VAL 68 2.611 3.008 0.749
222 HG22 VAL 68 1HG2 VAL 68 2.134 4.481 -0.096
223 HG23 VAL 68 2HG2 VAL 68 3.414 3.461 -0.753
224 H LEU 69 HN LEU 69 4.887 2.147 -0.841
225 HA LEU 69 HA LEU 69 5.112 0.205 1.267
226 HB2 LEU 69 3HB LEU 69 4.279 0.245 -1.565
227 HB3 LEU 69 2HB LEU 69 4.988 -1.277 -0.994
228 HG LEU 69 HG LEU 69 2.520 -1.244 -0.883
229 HD11 LEU 69 1HD1 LEU 69 4.082 -1.483 1.672
230 HD12 LEU 69 2HD1 LEU 69 3.586 -2.764 0.569
231 HD13 LEU 69 3HD1 LEU 69 2.380 -1.928 1.547
232 HD21 LEU 69 3HD2 LEU 69 2.798 0.740 1.356
233 HD22 LEU 69 1HD2 LEU 69 1.329 0.177 0.558
234 HD23 LEU 69 2HD2 LEU 69 2.448 1.234 -0.302
235 H GLN 70 HN GLN 70 7.109 1.360 -1.358
236 HA GLN 70 HA GLN 70 8.990 -0.766 -1.331
237 HB2 GLN 70 3HB GLN 70 8.833 0.651 -3.268
238 HB3 GLN 70 2HB GLN 70 9.199 2.087 -2.299
239 HG2 GLN 70 3HG GLN 70 11.447 1.148 -1.825
240 HG3 GLN 70 2HG GLN 70 11.069 -0.184 -2.926
241 HE21 GLN 70 1HE2 GLN 70 12.438 0.175 -4.560
242 HE22 GLN 70 2HE2 GLN 70 12.496 1.621 -5.503
243 H LYS 71 HN LYS 71 8.565 2.099 0.584
244 HA LYS 71 HA LYS 71 11.212 1.827 1.787
245 HB2 LYS 71 3HB LYS 71 9.016 3.880 2.122
246 HB3 LYS 71 2HB LYS 71 10.521 3.892 3.057
247 HG2 LYS 71 3HG LYS 71 10.513 3.933 0.048
248 HG3 LYS 71 2HG LYS 71 10.404 5.409 1.023
249 HD2 LYS 71 3HD LYS 71 12.581 3.425 1.581
250 HD3 LYS 71 2HD LYS 71 12.733 4.545 0.216
251 HE2 LYS 71 3HE LYS 71 12.217 5.360 3.088
252 HE3 LYS 71 2HE LYS 71 13.788 5.406 2.273
253 HZ1 LYS 71 3HZ LYS 71 12.374 6.821 0.558
254 HZ2 LYS 71 1HZ LYS 71 13.139 7.522 1.894
255 HZ3 LYS 71 2HZ LYS 71 11.486 7.165 1.956
256 H LEU 72 HN LEU 72 7.795 1.543 2.613
257 HA LEU 72 HA LEU 72 8.276 0.966 5.376
258 HB2 LEU 72 3HB LEU 72 5.870 0.751 3.577
259 HB3 LEU 72 2HB LEU 72 5.843 0.186 5.259
260 HG LEU 72 HG LEU 72 6.673 2.997 4.683
261 HD11 LEU 72 1HD1 LEU 72 4.046 1.844 4.131
262 HD12 LEU 72 2HD1 LEU 72 4.735 3.392 3.641
263 HD13 LEU 72 3HD1 LEU 72 4.005 3.218 5.237
264 HD21 LEU 72 3HD2 LEU 72 5.043 1.843 6.936
265 HD22 LEU 72 1HD2 LEU 72 5.865 3.402 6.874
266 HD23 LEU 72 2HD2 LEU 72 6.807 1.912 6.953
267 H GLY 73 HN GLY 73 7.061 -1.037 2.679
268 HA2 GLY 73 2HA GLY 73 7.787 -3.222 2.171
269 HA3 GLY 73 3HA GLY 73 8.555 -3.308 3.749
270 H VAL 74 HN VAL 74 7.681 -4.979 4.787
271 HA VAL 74 HA VAL 74 4.807 -5.482 4.540
272 HB VAL 74 HB VAL 74 6.878 -7.204 5.904
273 HG11 VAL 74 1HG1 VAL 74 3.979 -7.449 5.345
274 HG12 VAL 74 2HG1 VAL 74 4.963 -8.903 5.167
275 HG13 VAL 74 3HG1 VAL 74 4.925 -8.044 6.708
276 HG21 VAL 74 3HG2 VAL 74 6.210 -6.857 3.064
277 HG22 VAL 74 1HG2 VAL 74 7.665 -7.507 3.819
278 HG23 VAL 74 2HG2 VAL 74 6.241 -8.529 3.624
279 H GLN 75 HN GLN 75 7.152 -4.263 6.740
280 HA GLN 75 HA GLN 75 5.811 -4.778 9.175
281 HB2 GLN 75 3HB GLN 75 7.713 -2.524 8.492
282 HB3 GLN 75 2HB GLN 75 7.269 -3.052 10.122
283 HG2 GLN 75 3HG GLN 75 8.786 -4.661 8.070
284 HG3 GLN 75 2HG GLN 75 9.445 -3.910 9.530
285 HE21 GLN 75 1HE2 GLN 75 7.590 -6.533 8.252
286 HE22 GLN 75 2HE2 GLN 75 7.523 -7.469 9.702
287 H ALA 76 HN ALA 76 5.240 -2.541 6.642
288 HA ALA 76 HA ALA 76 4.076 -0.381 7.910
289 HB1 ALA 76 1HB ALA 76 2.622 -1.251 5.525
290 HB2 ALA 76 2HB ALA 76 3.481 0.256 5.847
291 HB3 ALA 76 3HB ALA 76 4.372 -1.170 5.316
292 H ASP 77 HN ASP 77 1.648 0.128 7.805
293 HA ASP 77 HA ASP 77 -0.036 -2.163 8.456
294 HB2 ASP 77 3HB ASP 77 -0.107 0.179 10.330
295 HB3 ASP 77 2HB ASP 77 -0.613 -1.494 10.605
296 HD2 ASP 77 HD ASP 77 2.622 -2.488 11.441
297 H THR 78 HN THR 78 -2.332 -1.597 8.575
298 HA THR 78 HA THR 78 -3.217 -0.140 6.405
299 HB THR 78 HB THR 78 -4.854 -0.491 8.916
300 HG1 THR 78 1HG THR 78 -4.723 -2.570 8.594
301 HG21 THR 78 3HG2 THR 78 -5.762 0.870 7.006
302 HG22 THR 78 1HG2 THR 78 -6.733 -0.536 7.442
303 HG23 THR 78 2HG2 THR 78 -5.691 -0.591 6.019
304 H ASN 79 HN ASN 79 -2.457 0.962 9.625
305 HA ASN 79 HA ASN 79 -3.699 3.544 9.267
306 HB2 ASN 79 3HB ASN 79 -1.686 2.931 11.414
307 HB3 ASN 79 2HB ASN 79 -3.096 3.995 11.479
308 HD21 ASN 79 1HD2 ASN 79 -5.126 3.144 11.855
309 HD22 ASN 79 2HD2 ASN 79 -5.363 1.533 12.433
310 H THR 80 HN THR 80 -0.352 2.372 9.615
311 HA THR 80 HA THR 80 0.993 4.750 9.242
312 HB THR 80 HB THR 80 1.827 2.010 8.269
313 HG1 THR 80 1HG THR 80 3.102 2.230 10.313
314 HG21 THR 80 3HG2 THR 80 3.109 4.622 8.100
315 HG22 THR 80 1HG2 THR 80 3.523 3.107 7.298
316 HG23 THR 80 2HG2 THR 80 4.099 3.425 8.935
317 H VAL 81 HN VAL 81 -0.063 2.441 6.750
318 HA VAL 81 HA VAL 81 0.966 3.664 4.504
319 HB VAL 81 HB VAL 81 -1.736 2.325 4.686
320 HG11 VAL 81 1HG1 VAL 81 -1.154 1.715 2.288
321 HG12 VAL 81 2HG1 VAL 81 -1.594 3.397 2.593
322 HG13 VAL 81 3HG1 VAL 81 0.100 2.950 2.390
323 HG21 VAL 81 3HG2 VAL 81 0.290 0.629 3.626
324 HG22 VAL 81 1HG2 VAL 81 0.848 1.270 5.172
325 HG23 VAL 81 2HG2 VAL 81 -0.687 0.407 5.078
326 H LEU 82 HN LEU 82 -2.313 4.150 5.826
327 HA LEU 82 HA LEU 82 -3.155 6.142 4.109
328 HB2 LEU 82 3HB LEU 82 -3.778 5.914 7.059
329 HB3 LEU 82 2HB LEU 82 -4.720 6.808 5.854
330 HG LEU 82 HG LEU 82 -4.311 3.853 5.568
331 HD11 LEU 82 1HD1 LEU 82 -5.979 3.305 7.030
332 HD12 LEU 82 2HD1 LEU 82 -6.734 4.895 6.944
333 HD13 LEU 82 3HD1 LEU 82 -5.260 4.670 7.885
334 HD21 LEU 82 3HD2 LEU 82 -6.764 5.393 4.856
335 HD22 LEU 82 1HD2 LEU 82 -6.086 3.944 4.112
336 HD23 LEU 82 2HD2 LEU 82 -5.337 5.516 3.827
337 H GLY 83 HN GLY 83 -1.456 6.519 7.215
338 HA2 GLY 83 2HA GLY 83 -1.375 9.295 7.314
339 HA3 GLY 83 3HA GLY 83 -0.166 8.235 8.026
340 H GLU 84 HN GLU 84 0.902 7.067 5.745
341 HA GLU 84 HA GLU 84 2.857 8.863 4.989
342 HB2 GLU 84 3HB GLU 84 1.800 6.420 3.555
343 HB3 GLU 84 2HB GLU 84 3.246 7.303 3.038
344 HG2 GLU 84 3HG GLU 84 2.914 6.084 5.776
345 HG3 GLU 84 2HG GLU 84 3.693 5.271 4.411
346 HE2 GLU 84 HE GLU 84 6.343 6.870 6.215
347 H LEU 85 HN LEU 85 -0.264 8.230 3.499
348 HA LEU 85 HA LEU 85 0.280 9.997 1.270
349 HB2 LEU 85 3HB LEU 85 -2.390 8.825 2.025
350 HB3 LEU 85 2HB LEU 85 -1.837 9.375 0.435
351 HG LEU 85 HG LEU 85 -0.622 6.998 1.822
352 HD11 LEU 85 1HD1 LEU 85 -2.189 5.574 0.982
353 HD12 LEU 85 2HD1 LEU 85 -2.630 6.656 -0.339
354 HD13 LEU 85 3HD1 LEU 85 -3.212 6.977 1.296
355 HD21 LEU 85 3HD2 LEU 85 -0.291 6.478 -0.722
356 HD22 LEU 85 1HD2 LEU 85 0.802 7.580 0.116
357 HD23 LEU 85 2HD2 LEU 85 -0.492 8.222 -0.895
358 H VAL 86 HN VAL 86 -1.294 10.111 4.369
359 HA VAL 86 HA VAL 86 -2.829 12.462 3.917
360 HB VAL 86 HB VAL 86 -1.824 11.309 6.524
361 HG11 VAL 86 1HG1 VAL 86 -2.443 13.441 7.125
362 HG12 VAL 86 2HG1 VAL 86 -3.672 13.555 5.864
363 HG13 VAL 86 3HG1 VAL 86 -3.973 12.582 7.305
364 HG21 VAL 86 3HG2 VAL 86 -3.347 9.712 6.268
365 HG22 VAL 86 1HG2 VAL 86 -4.610 10.937 6.130
366 HG23 VAL 86 2HG2 VAL 86 -3.774 10.365 4.686
367 H LYS 87 HN LYS 87 0.483 11.861 4.762
368 HA LYS 87 HA LYS 87 0.900 14.731 5.262
369 HB2 LYS 87 3HB LYS 87 2.304 12.257 6.186
370 HB3 LYS 87 2HB LYS 87 3.221 13.765 6.054
371 HG2 LYS 87 3HG LYS 87 0.821 14.388 7.410
372 HG3 LYS 87 2HG LYS 87 1.474 12.908 8.136
373 HD2 LYS 87 3HD LYS 87 2.753 14.301 9.350
374 HD3 LYS 87 2HD LYS 87 3.726 14.421 7.874
375 HE2 LYS 87 3HE LYS 87 1.367 16.234 8.207
376 HE3 LYS 87 2HE LYS 87 2.859 16.580 9.094
377 HZ1 LYS 87 3HZ LYS 87 3.180 17.731 7.151
378 HZ2 LYS 87 1HZ LYS 87 2.394 16.581 6.192
379 HZ3 LYS 87 2HZ LYS 87 3.948 16.270 6.779
380 H HIS 88 HN HIS 88 1.797 12.025 3.254
381 HA HIS 88 HA HIS 88 2.996 11.857 1.327
382 HB2 HIS 88 3HB HIS 88 2.120 14.735 1.283
383 HB3 HIS 88 2HB HIS 88 3.157 14.095 0.005
384 HD1 HIS 88 1HD HIS 88 -0.058 14.963 0.056
385 HD2 HIS 88 2HD HIS 88 1.666 11.224 -0.498
386 HE1 HIS 88 1HE HIS 88 -1.779 13.605 -1.175
387 HE2 HIS 88 2HE HIS 88 -0.727 11.320 -1.516
388 H GLY 89 HN GLY 89 4.463 12.217 3.740
389 HA2 GLY 89 2HA GLY 89 6.725 12.340 4.227
390 HA3 GLY 89 3HA GLY 89 7.004 12.954 2.605