NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
522599 |
2fj6   |
6976 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1HT MET 1 -6.021 9.684 8.125
2 2H MET 1 2HT MET 1 -6.577 10.262 6.627
3 3H MET 1 3HT MET 1 -4.932 10.387 7.031
4 HA MET 1 HA MET 1 -4.771 8.553 5.751
5 1HB MET 1 1HB MET 1 -5.553 7.723 8.529
6 2HB MET 1 2HB MET 1 -5.310 6.477 7.305
7 1HG MET 1 1HG MET 1 -3.224 6.954 8.566
8 2HG MET 1 2HG MET 1 -3.055 7.324 6.850
9 1HE MET 1 1HE MET 1 -1.903 8.702 10.154
10 2HE MET 1 2HE MET 1 -0.983 9.822 9.152
11 3HE MET 1 3HE MET 1 -1.098 8.127 8.687
12 H LYS 2 H LYS 2 -5.801 6.568 4.841
13 HA LYS 2 HA LYS 2 -8.709 6.445 5.002
14 1HB LYS 2 1HB LYS 2 -9.030 6.709 2.586
15 2HB LYS 2 2HB LYS 2 -8.314 8.164 3.278
16 1HG LYS 2 1HG LYS 2 -6.103 6.601 2.616
17 2HG LYS 2 2HG LYS 2 -7.221 6.325 1.283
18 1HD LYS 2 1HD LYS 2 -7.514 8.892 1.244
19 2HD LYS 2 2HD LYS 2 -6.063 8.941 2.246
20 1HE LYS 2 1HE LYS 2 -6.284 7.639 -0.486
21 2HE LYS 2 2HE LYS 2 -5.475 9.165 -0.134
22 1HZ LYS 2 2HZ LYS 2 -3.962 7.227 -0.245
23 2HZ LYS 2 2HZ LYS 2 -4.745 6.571 1.111
24 3HZ LYS 2 3HZ LYS 2 -3.904 8.041 1.241
25 H SER 3 H SER 3 -8.618 4.376 5.702
26 HA SER 3 HA SER 3 -7.640 2.155 5.727
27 1HB SER 3 1HB SER 3 -10.088 2.293 5.281
28 2HB SER 3 2HB SER 3 -9.738 2.258 3.556
29 HG SER 3 HG SER 3 -9.768 0.237 5.380
30 H PHE 4 H PHE 4 -5.640 1.671 5.004
31 HA PHE 4 HA PHE 4 -4.483 2.163 2.558
32 1HB PHE 4 1HB PHE 4 -3.294 1.243 4.536
33 2HB PHE 4 2HB PHE 4 -4.051 -0.321 4.237
34 HD1 PHE 4 HD1 PHE 4 -1.601 2.144 3.001
35 HD2 PHE 4 HD2 PHE 4 -3.405 -1.697 2.325
36 HE1 PHE 4 HE1 PHE 4 0.166 1.604 1.347
37 HE2 PHE 4 HE2 PHE 4 -1.637 -2.235 0.672
38 HZ PHE 4 HZ PHE 4 0.148 -0.585 0.183
39 H TYR 5 H TYR 5 -6.719 -0.411 3.420
40 HA TYR 5 HA TYR 5 -6.380 -2.037 1.134
41 1HB TYR 5 1HB TYR 5 -7.601 -2.722 3.203
42 2HB TYR 5 2HB TYR 5 -8.911 -1.631 2.749
43 HD1 TYR 5 HD1 TYR 5 -6.891 -4.511 1.455
44 HD2 TYR 5 HD2 TYR 5 -10.606 -2.361 1.289
45 HE1 TYR 5 HE1 TYR 5 -7.837 -6.255 -0.031
46 HE2 TYR 5 HE2 TYR 5 -11.550 -4.106 -0.197
47 HH TYR 5 HH TYR 5 -9.594 -6.916 -1.205
48 H HIS 6 H HIS 6 -8.606 0.656 1.820
49 HA HIS 6 HA HIS 6 -9.937 0.557 -0.697
50 1HB HIS 6 1HB HIS 6 -9.630 2.908 1.164
51 2HB HIS 6 2HB HIS 6 -10.820 2.736 -0.123
52 HD1 HIS 6 HD1 HIS 6 -10.697 -0.528 1.070
53 HD2 HIS 6 HD2 HIS 6 -12.263 2.969 2.712
54 HE1 HIS 6 HE1 HIS 6 -12.386 -1.250 2.813
55 HE2 HIS 6 HE2 HIS 6 -13.352 0.870 3.821
56 H TYR 7 H TYR 7 -7.163 2.420 0.528
57 HA TYR 7 HA TYR 7 -6.832 4.111 -1.690
58 1HB TYR 7 1HB TYR 7 -5.498 4.465 0.308
59 2HB TYR 7 2HB TYR 7 -4.764 2.870 0.152
60 HD1 TYR 7 HD1 TYR 7 -5.211 6.076 -1.744
61 HD2 TYR 7 HD2 TYR 7 -2.737 2.638 -1.016
62 HE1 TYR 7 HE1 TYR 7 -3.450 7.031 -3.206
63 HE2 TYR 7 HE2 TYR 7 -0.980 3.595 -2.478
64 HH TYR 7 HH TYR 7 -0.302 5.931 -3.248
65 H LEU 8 H LEU 8 -5.561 0.904 -0.959
66 HA LEU 8 HA LEU 8 -4.205 0.415 -3.371
67 1HB LEU 8 1HB LEU 8 -4.394 -0.909 -1.039
68 2HB LEU 8 2HB LEU 8 -5.538 -1.855 -1.988
69 HG LEU 8 HG LEU 8 -3.736 -1.999 -3.787
70 1HD1 LEU 8 1HD1 LEU 8 -1.388 -1.784 -2.539
71 2HD1 LEU 8 2HD1 LEU 8 -2.270 -0.587 -1.590
72 3HD1 LEU 8 3HD1 LEU 8 -2.125 -0.395 -3.337
73 1HD2 LEU 8 1HD2 LEU 8 -4.232 -3.899 -2.350
74 2HD2 LEU 8 2HD2 LEU 8 -3.253 -3.218 -1.050
75 3HD2 LEU 8 3HD2 LEU 8 -2.482 -3.776 -2.535
76 H LEU 9 H LEU 9 -7.630 0.232 -2.515
77 HA LEU 9 HA LEU 9 -8.494 -1.478 -4.580
78 1HB LEU 9 1HB LEU 9 -9.754 0.428 -2.751
79 2HB LEU 9 2HB LEU 9 -10.580 0.306 -4.301
80 HG LEU 9 HG LEU 9 -9.738 -2.160 -2.776
81 1HD1 LEU 9 1HD1 LEU 9 -12.128 -0.379 -2.362
82 2HD1 LEU 9 2HD1 LEU 9 -11.121 -1.187 -1.160
83 3HD1 LEU 9 3HD1 LEU 9 -12.275 -2.119 -2.112
84 1HD2 LEU 9 1HD2 LEU 9 -11.856 -1.555 -4.869
85 2HD2 LEU 9 2HD2 LEU 9 -11.646 -3.121 -4.085
86 3HD2 LEU 9 3HD2 LEU 9 -10.371 -2.474 -5.116
87 H LYS 10 H LYS 10 -7.433 1.821 -4.685
88 HA LYS 10 HA LYS 10 -8.659 2.500 -7.189
89 1HB LYS 10 1HB LYS 10 -7.909 4.209 -5.560
90 2HB LYS 10 2HB LYS 10 -6.238 3.714 -5.828
91 1HG LYS 10 1HG LYS 10 -6.235 4.498 -8.056
92 2HG LYS 10 2HG LYS 10 -7.996 4.548 -8.134
93 1HD LYS 10 1HD LYS 10 -8.028 6.400 -6.511
94 2HD LYS 10 2HD LYS 10 -6.268 6.343 -6.400
95 1HE LYS 10 1HE LYS 10 -6.059 6.933 -8.759
96 2HE LYS 10 2HE LYS 10 -7.810 6.875 -8.959
97 1HZ LYS 10 2HZ LYS 10 -7.861 8.993 -8.366
98 2HZ LYS 10 2HZ LYS 10 -6.199 8.998 -8.015
99 3HZ LYS 10 3HZ LYS 10 -7.321 8.557 -6.819
100 H TYR 11 H TYR 11 -5.959 0.613 -6.270
101 HA TYR 11 HA TYR 11 -4.850 0.695 -9.000
102 1HB TYR 11 1HB TYR 11 -3.613 0.163 -6.306
103 2HB TYR 11 2HB TYR 11 -2.839 -0.376 -7.789
104 HD1 TYR 11 HD1 TYR 11 -2.949 1.564 -9.739
105 HD2 TYR 11 HD2 TYR 11 -2.880 2.213 -5.492
106 HE1 TYR 11 HE1 TYR 11 -2.059 3.850 -10.103
107 HE2 TYR 11 HE2 TYR 11 -1.990 4.499 -5.856
108 HH TYR 11 HH TYR 11 -1.545 6.077 -7.380
109 H ARG 12 H ARG 12 -7.149 -0.813 -8.587
110 HA ARG 12 HA ARG 12 -6.761 -3.476 -7.842
111 1HB ARG 12 1HB ARG 12 -8.705 -2.042 -9.579
112 2HB ARG 12 2HB ARG 12 -8.646 -3.801 -9.683
113 1HG ARG 12 1HG ARG 12 -8.940 -3.963 -7.252
114 2HG ARG 12 2HG ARG 12 -9.012 -2.209 -7.135
115 1HD ARG 12 1HD ARG 12 -11.273 -3.297 -7.182
116 2HD ARG 12 2HD ARG 12 -11.021 -2.133 -8.479
117 HE ARG 12 HE ARG 12 -10.265 -4.679 -9.412
118 1HH1 ARG 12 1HH2 ARG 12 -13.067 -2.917 -8.385
119 2HH1 ARG 12 2HH2 ARG 12 -14.161 -3.797 -9.400
120 1HH2 ARG 12 1HH1 ARG 12 -11.695 -5.830 -10.747
121 2HH2 ARG 12 2HH1 ARG 12 -13.384 -5.447 -10.736
122 H HIS 13 H HIS 13 -5.352 -1.827 -10.228
123 HA HIS 13 HA HIS 13 -4.447 -2.361 -12.336
124 1HB HIS 13 1HB HIS 13 -3.231 -4.026 -10.165
125 2HB HIS 13 2HB HIS 13 -2.665 -4.211 -11.825
126 HD1 HIS 13 HD1 HIS 13 -2.385 -2.018 -8.886
127 HD2 HIS 13 HD2 HIS 13 -1.677 -1.678 -12.981
128 HE1 HIS 13 HE1 HIS 13 -0.937 0.037 -9.196
129 HE2 HIS 13 HE2 HIS 13 -0.502 0.260 -11.687
130 HA PRO 14 HA PRO 14 -7.169 -5.988 -13.308
131 1HB PRO 14 1HB PRO 14 -8.037 -4.934 -15.706
132 2HB PRO 14 2HB PRO 14 -8.849 -4.674 -14.151
133 1HG PRO 14 1HG PRO 14 -7.011 -2.882 -15.649
134 2HG PRO 14 2HG PRO 14 -8.452 -2.487 -14.697
135 1HD PRO 14 1HD PRO 14 -5.917 -2.119 -13.752
136 2HD PRO 14 2HD PRO 14 -7.293 -2.487 -12.689
137 H LYS 15 H LYS 15 -4.382 -4.600 -14.418
138 HA LYS 15 HA LYS 15 -3.719 -6.915 -16.079
139 1HB LYS 15 1HB LYS 15 -3.608 -4.040 -17.012
140 2HB LYS 15 2HB LYS 15 -2.618 -5.305 -17.742
141 1HG LYS 15 1HG LYS 15 -4.747 -6.624 -18.118
142 2HG LYS 15 2HG LYS 15 -5.642 -5.192 -17.611
143 1HD LYS 15 1HD LYS 15 -5.586 -4.810 -19.888
144 2HD LYS 15 2HD LYS 15 -4.084 -4.012 -19.425
145 1HE LYS 15 1HE LYS 15 -3.631 -5.456 -21.325
146 2HE LYS 15 2HE LYS 15 -2.867 -6.158 -19.900
147 1HZ LYS 15 2HZ LYS 15 -4.196 -7.930 -19.975
148 2HZ LYS 15 2HZ LYS 15 -4.555 -7.453 -21.566
149 3HZ LYS 15 3HZ LYS 15 -5.585 -7.009 -20.290
150 HA PRO 16 HA PRO 16 -0.697 -5.755 -12.682
151 1HB PRO 16 1HB PRO 16 -0.032 -8.593 -13.330
152 2HB PRO 16 2HB PRO 16 -0.187 -7.800 -11.753
153 1HG PRO 16 1HG PRO 16 -2.087 -9.415 -12.773
154 2HG PRO 16 2HG PRO 16 -2.442 -8.064 -11.692
155 1HD PRO 16 1HD PRO 16 -3.014 -8.331 -14.568
156 2HD PRO 16 2HD PRO 16 -3.728 -7.228 -13.379
157 H LYS 17 H LYS 17 1.377 -5.097 -12.943
158 HA LYS 17 HA LYS 17 3.027 -6.111 -15.124
159 1HB LYS 17 1HB LYS 17 2.004 -3.278 -14.976
160 2HB LYS 17 2HB LYS 17 3.528 -3.660 -15.776
161 1HG LYS 17 1HG LYS 17 2.239 -5.401 -17.126
162 2HG LYS 17 2HG LYS 17 0.765 -4.678 -16.483
163 1HD LYS 17 1HD LYS 17 2.892 -3.070 -17.918
164 2HD LYS 17 2HD LYS 17 1.510 -3.787 -18.745
165 1HE LYS 17 1HE LYS 17 0.045 -2.571 -17.022
166 2HE LYS 17 2HE LYS 17 1.493 -1.655 -16.602
167 1HZ LYS 17 2HZ LYS 17 1.049 -1.817 -19.429
168 2HZ LYS 17 2HZ LYS 17 1.348 -0.458 -18.454
169 3HZ LYS 17 3HZ LYS 17 -0.232 -1.062 -18.613
170 H ASP 18 H ASP 18 2.868 -3.373 -12.832
171 HA ASP 18 HA ASP 18 5.684 -3.652 -12.194
172 1HB ASP 18 1HB ASP 18 3.716 -1.869 -10.770
173 2HB ASP 18 2HB ASP 18 5.452 -1.643 -10.976
174 H SER 19 H SER 19 6.393 -3.779 -9.911
175 HA SER 19 HA SER 19 5.558 -6.108 -8.653
176 1HB SER 19 1HB SER 19 7.019 -5.535 -6.905
177 2HB SER 19 2HB SER 19 7.703 -4.720 -8.304
178 HG SER 19 HG SER 19 6.235 -3.668 -6.140
179 H ILE 20 H ILE 20 4.620 -2.748 -7.981
180 HA ILE 20 HA ILE 20 2.973 -3.346 -5.750
181 HB ILE 20 HB ILE 20 3.948 -1.060 -6.618
182 1HG1 ILE 20 1HG1 ILE 20 1.159 -1.234 -5.427
183 2HG1 ILE 20 2HG1 ILE 20 2.651 -1.462 -4.515
184 1HG2 ILE 20 1HG2 ILE 20 1.157 -0.958 -7.797
185 2HG2 ILE 20 2HG2 ILE 20 2.603 -1.231 -8.769
186 3HG2 ILE 20 3HG2 ILE 20 2.409 0.281 -7.885
187 1HD1 ILE 20 1HD1 ILE 20 3.352 0.851 -5.384
188 2HD1 ILE 20 2HD1 ILE 20 2.065 0.821 -4.178
189 3HD1 ILE 20 3HD1 ILE 20 1.672 1.050 -5.881
190 H SER 21 H SER 21 2.399 -3.279 -9.213
191 HA SER 21 HA SER 21 -0.422 -3.282 -9.161
192 1HB SER 21 1HB SER 21 1.328 -4.576 -11.252
193 2HB SER 21 2HB SER 21 -0.298 -3.937 -11.463
194 HG SER 21 HG SER 21 0.910 -1.925 -10.537
195 H GLU 22 H GLU 22 1.879 -6.007 -9.472
196 HA GLU 22 HA GLU 22 -0.058 -8.050 -9.523
197 1HB GLU 22 1HB GLU 22 1.860 -9.507 -8.663
198 2HB GLU 22 2HB GLU 22 2.132 -8.661 -10.185
199 1HG GLU 22 1HG GLU 22 3.379 -6.909 -9.031
200 2HG GLU 22 2HG GLU 22 3.036 -7.657 -7.473
201 H PHE 23 H PHE 23 1.576 -6.426 -6.859
202 HA PHE 23 HA PHE 23 0.666 -8.081 -4.756
203 1HB PHE 23 1HB PHE 23 2.500 -6.418 -4.544
204 2HB PHE 23 2HB PHE 23 1.314 -5.121 -4.685
205 HD1 PHE 23 HD1 PHE 23 2.733 -7.692 -2.510
206 HD2 PHE 23 HD2 PHE 23 -0.416 -4.800 -2.926
207 HE1 PHE 23 HE1 PHE 23 2.265 -7.852 -0.080
208 HE2 PHE 23 HE2 PHE 23 -0.886 -4.962 -0.497
209 HZ PHE 23 HZ PHE 23 0.455 -6.487 0.926
210 H ALA 24 H ALA 24 -0.680 -5.156 -6.248
211 HA ALA 24 HA ALA 24 -2.812 -4.678 -4.538
212 1HB ALA 24 1HB ALA 24 -3.003 -4.363 -7.530
213 2HB ALA 24 2HB ALA 24 -2.025 -3.288 -6.531
214 3HB ALA 24 3HB ALA 24 -3.766 -3.387 -6.275
215 H ASN 25 H ASN 25 -2.788 -6.736 -7.468
216 HA ASN 25 HA ASN 25 -5.471 -7.576 -7.298
217 1HB ASN 25 1HB ASN 25 -3.484 -9.557 -8.276
218 2HB ASN 25 2HB ASN 25 -4.985 -9.009 -9.012
219 1HD2 ASN 25 1HD2 ASN 25 -4.912 -6.841 -10.129
220 2HD2 ASN 25 2HD2 ASN 25 -3.429 -6.270 -10.715
221 H GLN 26 H GLN 26 -2.520 -8.894 -5.855
222 HA GLN 26 HA GLN 26 -3.656 -11.230 -4.745
223 1HB GLN 26 1HB GLN 26 -1.195 -10.731 -4.980
224 2HB GLN 26 2HB GLN 26 -1.350 -9.631 -3.610
225 1HG GLN 26 1HG GLN 26 -2.325 -11.582 -2.299
226 2HG GLN 26 2HG GLN 26 -1.835 -12.621 -3.637
227 1HE2 GLN 26 1HE2 GLN 26 -0.619 -13.254 -1.290
228 2HE2 GLN 26 2HE2 GLN 26 0.982 -12.693 -1.242
229 H ALA 27 H ALA 27 -3.045 -8.024 -3.325
230 HA ALA 27 HA ALA 27 -4.083 -8.510 -0.774
231 1HB ALA 27 1HB ALA 27 -3.873 -5.994 -2.422
232 2HB ALA 27 2HB ALA 27 -2.834 -6.520 -1.099
233 3HB ALA 27 3HB ALA 27 -4.483 -5.989 -0.768
234 H TYR 28 H TYR 28 -5.713 -7.684 -3.788
235 HA TYR 28 HA TYR 28 -8.217 -6.935 -2.778
236 1HB TYR 28 1HB TYR 28 -7.708 -6.625 -5.118
237 2HB TYR 28 2HB TYR 28 -7.493 -8.358 -5.350
238 HD1 TYR 28 HD1 TYR 28 -9.992 -5.722 -4.541
239 HD2 TYR 28 HD2 TYR 28 -9.356 -9.812 -5.697
240 HE1 TYR 28 HE1 TYR 28 -12.416 -5.969 -5.005
241 HE2 TYR 28 HE2 TYR 28 -11.780 -10.057 -6.160
242 HH TYR 28 HH TYR 28 -14.050 -7.381 -5.540
243 H GLU 29 H GLU 29 -6.745 -10.086 -3.164
244 HA GLU 29 HA GLU 29 -9.214 -11.522 -2.647
245 1HB GLU 29 1HB GLU 29 -6.461 -12.730 -2.588
246 2HB GLU 29 2HB GLU 29 -7.985 -13.462 -3.078
247 1HG GLU 29 1HG GLU 29 -8.020 -11.734 -4.981
248 2HG GLU 29 2HG GLU 29 -6.330 -11.436 -4.580
249 H ASP 30 H ASP 30 -6.960 -9.882 -0.797
250 HA ASP 30 HA ASP 30 -6.949 -11.662 1.489
251 1HB ASP 30 1HB ASP 30 -5.108 -9.978 0.800
252 2HB ASP 30 2HB ASP 30 -6.145 -8.757 1.527
253 H HIS 31 H HIS 31 -9.386 -11.739 1.407
254 HA HIS 31 HA HIS 31 -10.979 -9.515 2.113
255 1HB HIS 31 1HB HIS 31 -11.378 -12.495 2.386
256 2HB HIS 31 2HB HIS 31 -12.612 -11.329 2.863
257 HD1 HIS 31 HD1 HIS 31 -10.342 -10.962 -0.150
258 HD2 HIS 31 HD2 HIS 31 -14.357 -11.704 0.694
259 HE1 HIS 31 HE1 HIS 31 -11.571 -10.855 -2.362
260 HE2 HIS 31 HE2 HIS 31 -14.019 -11.303 -1.864
261 H SER 32 H SER 32 -8.722 -11.285 3.923
262 HA SER 32 HA SER 32 -10.001 -10.682 6.497
263 1HB SER 32 1HB SER 32 -7.975 -11.957 7.385
264 2HB SER 32 2HB SER 32 -9.130 -12.885 6.433
265 HG SER 32 HG SER 32 -7.451 -13.346 5.257
266 H PHE 33 H PHE 33 -8.025 -9.124 4.336
267 HA PHE 33 HA PHE 33 -5.896 -8.064 5.731
268 1HB PHE 33 1HB PHE 33 -6.553 -7.618 3.311
269 2HB PHE 33 2HB PHE 33 -7.669 -6.402 3.930
270 HD1 PHE 33 HD1 PHE 33 -4.148 -7.291 3.401
271 HD2 PHE 33 HD2 PHE 33 -6.826 -4.382 5.084
272 HE1 PHE 33 HE1 PHE 33 -2.277 -5.675 3.589
273 HE2 PHE 33 HE2 PHE 33 -4.954 -2.767 5.271
274 HZ PHE 33 HZ PHE 33 -2.679 -3.414 4.524
275 HA PRO 34 HA PRO 34 -7.810 -5.844 9.072
276 1HB PRO 34 1HB PRO 34 -5.702 -4.242 9.772
277 2HB PRO 34 2HB PRO 34 -5.777 -5.972 10.155
278 1HG PRO 34 1HG PRO 34 -4.333 -4.585 7.947
279 2HG PRO 34 2HG PRO 34 -3.797 -5.921 8.982
280 1HD PRO 34 1HD PRO 34 -4.698 -6.318 6.445
281 2HD PRO 34 2HD PRO 34 -4.919 -7.521 7.732
282 H LYS 35 H LYS 35 -9.096 -4.867 7.122
283 HA LYS 35 HA LYS 35 -8.481 -2.374 6.002
284 1HB LYS 35 1HB LYS 35 -11.280 -3.267 6.702
285 2HB LYS 35 2HB LYS 35 -10.765 -2.254 5.353
286 1HG LYS 35 1HG LYS 35 -9.378 -4.291 4.587
287 2HG LYS 35 2HG LYS 35 -10.348 -5.221 5.729
288 1HD LYS 35 1HD LYS 35 -12.411 -4.330 4.591
289 2HD LYS 35 2HD LYS 35 -11.360 -3.613 3.368
290 1HE LYS 35 1HE LYS 35 -10.481 -5.816 2.780
291 2HE LYS 35 2HE LYS 35 -11.427 -6.565 4.066
292 1HZ LYS 35 2HZ LYS 35 -13.374 -6.269 2.937
293 2HZ LYS 35 2HZ LYS 35 -12.312 -6.506 1.633
294 3HZ LYS 35 3HZ LYS 35 -12.807 -4.937 2.054
295 H THR 36 H THR 36 -9.951 -3.209 9.092
296 HA THR 36 HA THR 36 -10.371 -0.374 9.730
297 HB THR 36 HB THR 36 -12.207 -1.922 10.222
298 HG1 THR 36 HG1 THR 36 -10.940 -0.371 12.030
299 1HG2 THR 36 1HG2 THR 36 -11.802 -3.562 12.154
300 2HG2 THR 36 2HG2 THR 36 -10.082 -3.335 11.839
301 3HG2 THR 36 3HG2 THR 36 -11.126 -4.005 10.586
302 H SER 37 H SER 37 -7.677 -1.148 9.473
303 HA SER 37 HA SER 37 -6.549 -0.132 11.830
304 1HB SER 37 1HB SER 37 -7.236 -2.380 12.735
305 2HB SER 37 2HB SER 37 -6.161 -3.126 11.560
306 HG SER 37 HG SER 37 -5.535 -1.402 13.715
307 H THR 38 H THR 38 -5.065 0.996 10.718
308 HA THR 38 HA THR 38 -3.302 -0.508 8.888
309 HB THR 38 HB THR 38 -4.411 0.913 7.415
310 HG1 THR 38 HG1 THR 38 -2.939 2.856 7.305
311 1HG2 THR 38 1HG2 THR 38 -4.456 2.886 9.704
312 2HG2 THR 38 2HG2 THR 38 -5.825 2.135 8.884
313 3HG2 THR 38 3HG2 THR 38 -4.860 3.353 8.052
314 H ASP 39 H ASP 39 -1.510 -0.839 9.965
315 HA ASP 39 HA ASP 39 -0.057 1.461 11.036
316 1HB ASP 39 1HB ASP 39 -1.124 0.649 13.017
317 2HB ASP 39 2HB ASP 39 -0.756 -1.023 12.608
318 H TYR 40 H TYR 40 1.980 1.400 10.344
319 HA TYR 40 HA TYR 40 2.977 -0.380 8.518
320 1HB TYR 40 1HB TYR 40 3.957 1.843 9.110
321 2HB TYR 40 2HB TYR 40 4.665 1.099 10.543
322 HD1 TYR 40 HD1 TYR 40 4.416 0.549 6.835
323 HD2 TYR 40 HD2 TYR 40 6.809 0.178 10.385
324 HE1 TYR 40 HE1 TYR 40 6.314 -0.279 5.470
325 HE2 TYR 40 HE2 TYR 40 8.706 -0.649 9.019
326 HH TYR 40 HH TYR 40 9.399 -0.338 6.456
327 H HIS 41 H HIS 41 3.738 -0.428 12.016
328 HA HIS 41 HA HIS 41 5.325 -2.757 11.925
329 1HB HIS 41 1HB HIS 41 3.730 -2.050 14.363
330 2HB HIS 41 2HB HIS 41 5.387 -2.641 14.244
331 HD1 HIS 41 HD1 HIS 41 3.573 0.380 14.855
332 HD2 HIS 41 HD2 HIS 41 7.087 -0.527 12.804
333 HE1 HIS 41 HE1 HIS 41 4.845 2.556 14.617
334 HE2 HIS 41 HE2 HIS 41 6.994 2.019 13.376
335 H GLU 42 H GLU 42 1.906 -2.395 12.902
336 HA GLU 42 HA GLU 42 1.424 -5.093 13.476
337 1HB GLU 42 1HB GLU 42 -0.046 -3.092 14.012
338 2HB GLU 42 2HB GLU 42 -0.624 -3.185 12.349
339 1HG GLU 42 1HG GLU 42 -1.197 -5.618 12.798
340 2HG GLU 42 2HG GLU 42 -0.863 -5.301 14.500
341 H ILE 43 H ILE 43 0.726 -3.303 10.461
342 HA ILE 43 HA ILE 43 -0.185 -5.606 9.068
343 HB ILE 43 HB ILE 43 0.637 -2.840 8.204
344 1HG1 ILE 43 1HG1 ILE 43 -1.990 -4.333 7.935
345 2HG1 ILE 43 2HG1 ILE 43 -1.575 -3.398 9.370
346 1HG2 ILE 43 1HG2 ILE 43 -0.248 -3.538 5.925
347 2HG2 ILE 43 2HG2 ILE 43 -0.136 -5.210 6.474
348 3HG2 ILE 43 3HG2 ILE 43 1.321 -4.223 6.348
349 1HD1 ILE 43 1HD1 ILE 43 -1.595 -2.255 6.563
350 2HD1 ILE 43 2HD1 ILE 43 -1.403 -1.362 8.072
351 3HD1 ILE 43 3HD1 ILE 43 -2.945 -2.126 7.688
352 H SER 44 H SER 44 2.990 -4.084 9.405
353 HA SER 44 HA SER 44 4.370 -5.391 7.355
354 1HB SER 44 1HB SER 44 5.177 -4.327 10.037
355 2HB SER 44 2HB SER 44 6.323 -5.305 9.126
356 HG SER 44 HG SER 44 6.496 -3.078 8.624
357 H SER 45 H SER 45 3.848 -6.433 10.720
358 HA SER 45 HA SER 45 5.112 -8.948 10.488
359 1HB SER 45 1HB SER 45 2.834 -8.299 12.357
360 2HB SER 45 2HB SER 45 4.157 -9.434 12.605
361 HG SER 45 HG SER 45 4.460 -7.419 13.693
362 H TYR 46 H TYR 46 1.866 -7.812 9.787
363 HA TYR 46 HA TYR 46 0.513 -10.265 9.611
364 1HB TYR 46 1HB TYR 46 -0.487 -7.930 9.507
365 2HB TYR 46 2HB TYR 46 0.023 -7.881 7.821
366 HD1 TYR 46 HD1 TYR 46 -1.854 -10.085 10.213
367 HD2 TYR 46 HD2 TYR 46 -1.419 -8.689 6.172
368 HE1 TYR 46 HE1 TYR 46 -3.882 -11.352 9.556
369 HE2 TYR 46 HE2 TYR 46 -3.446 -9.957 5.518
370 HH TYR 46 HH TYR 46 -4.687 -12.007 6.386
371 H LEU 47 H LEU 47 2.586 -8.574 7.330
372 HA LEU 47 HA LEU 47 2.063 -10.350 5.128
373 1HB LEU 47 1HB LEU 47 4.375 -8.442 5.577
374 2HB LEU 47 2HB LEU 47 3.928 -9.189 4.044
375 HG LEU 47 HG LEU 47 1.874 -7.602 5.559
376 1HD1 LEU 47 1HD1 LEU 47 3.954 -6.206 5.401
377 2HD1 LEU 47 2HD1 LEU 47 2.598 -5.552 4.484
378 3HD1 LEU 47 3HD1 LEU 47 3.899 -6.402 3.649
379 1HD2 LEU 47 1HD2 LEU 47 1.024 -7.213 3.288
380 2HD2 LEU 47 2HD2 LEU 47 1.259 -8.939 3.553
381 3HD2 LEU 47 3HD2 LEU 47 2.432 -8.026 2.604
382 H GLU 48 H GLU 48 4.764 -9.894 7.398
383 HA GLU 48 HA GLU 48 6.325 -12.074 6.489
384 1HB GLU 48 1HB GLU 48 6.251 -10.770 9.223
385 2HB GLU 48 2HB GLU 48 7.538 -11.812 8.613
386 1HG GLU 48 1HG GLU 48 7.906 -10.215 6.740
387 2HG GLU 48 2HG GLU 48 6.682 -9.153 7.432
388 H LEU 49 H LEU 49 3.482 -11.910 8.393
389 HA LEU 49 HA LEU 49 3.765 -14.266 9.953
390 1HB LEU 49 1HB LEU 49 1.568 -12.432 9.198
391 2HB LEU 49 2HB LEU 49 1.080 -14.071 9.627
392 HG LEU 49 HG LEU 49 3.071 -12.693 11.387
393 1HD1 LEU 49 1HD1 LEU 49 1.602 -10.912 11.454
394 2HD1 LEU 49 2HD1 LEU 49 0.838 -11.957 12.650
395 3HD1 LEU 49 3HD1 LEU 49 0.215 -11.902 11.001
396 1HD2 LEU 49 1HD2 LEU 49 2.301 -15.077 11.692
397 2HD2 LEU 49 2HD2 LEU 49 0.677 -14.459 11.992
398 3HD2 LEU 49 3HD2 LEU 49 1.995 -14.046 13.089
399 H ASN 50 H ASN 50 3.416 -13.817 6.635
400 HA ASN 50 HA ASN 50 2.915 -16.678 6.241
401 1HB ASN 50 1HB ASN 50 1.317 -14.598 4.737
402 2HB ASN 50 2HB ASN 50 1.132 -16.348 4.668
403 1HD2 ASN 50 1HD2 ASN 50 0.206 -13.481 6.398
404 2HD2 ASN 50 2HD2 ASN 50 -0.713 -14.256 7.598
405 H ALA 51 H ALA 51 4.304 -17.447 4.846
406 HA ALA 51 HA ALA 51 6.307 -16.065 3.551
407 1HB ALA 51 1HB ALA 51 6.098 -18.575 3.945
408 2HB ALA 51 2HB ALA 51 6.802 -18.082 2.406
409 3HB ALA 51 3HB ALA 51 5.124 -18.623 2.475
410 H ASP 52 H ASP 52 3.007 -16.419 2.594
411 HA ASP 52 HA ASP 52 3.154 -16.154 -0.176
412 1HB ASP 52 1HB ASP 52 1.093 -15.085 1.762
413 2HB ASP 52 2HB ASP 52 0.879 -15.143 0.013
414 H TYR 53 H TYR 53 3.206 -13.631 2.334
415 HA TYR 53 HA TYR 53 3.536 -11.570 0.268
416 1HB TYR 53 1HB TYR 53 3.250 -11.299 3.268
417 2HB TYR 53 2HB TYR 53 3.268 -9.972 2.106
418 HD1 TYR 53 HD1 TYR 53 1.248 -12.470 3.737
419 HD2 TYR 53 HD2 TYR 53 1.475 -9.940 0.271
420 HE1 TYR 53 HE1 TYR 53 -1.185 -12.770 3.356
421 HE2 TYR 53 HE2 TYR 53 -0.957 -10.240 -0.107
422 HH TYR 53 HH TYR 53 -2.945 -10.837 1.137
423 H LEU 54 H LEU 54 5.373 -13.464 2.443
424 HA LEU 54 HA LEU 54 7.522 -11.832 3.108
425 1HB LEU 54 1HB LEU 54 7.183 -14.105 3.996
426 2HB LEU 54 2HB LEU 54 7.579 -14.778 2.417
427 HG LEU 54 HG LEU 54 9.826 -13.711 2.552
428 1HD1 LEU 54 1HD1 LEU 54 10.423 -13.018 5.012
429 2HD1 LEU 54 2HD1 LEU 54 8.686 -12.758 5.170
430 3HD1 LEU 54 3HD1 LEU 54 9.608 -11.856 3.966
431 1HD2 LEU 54 1HD2 LEU 54 10.697 -15.199 4.378
432 2HD2 LEU 54 2HD2 LEU 54 9.595 -16.025 3.276
433 3HD2 LEU 54 3HD2 LEU 54 9.030 -15.508 4.864
434 H HIS 55 H HIS 55 6.884 -13.570 0.094
435 HA HIS 55 HA HIS 55 9.473 -12.990 -1.025
436 1HB HIS 55 1HB HIS 55 8.732 -14.146 -2.952
437 2HB HIS 55 2HB HIS 55 8.002 -14.988 -1.589
438 HD1 HIS 55 HD1 HIS 55 6.699 -15.130 -4.394
439 HD2 HIS 55 HD2 HIS 55 5.626 -12.347 -1.483
440 HE1 HIS 55 HE1 HIS 55 4.353 -14.366 -4.964
441 HE2 HIS 55 HE2 HIS 55 3.687 -12.665 -3.201
442 H THR 56 H THR 56 7.091 -10.891 -0.357
443 HA THR 56 HA THR 56 7.900 -9.125 -2.553
444 HB THR 56 HB THR 56 5.790 -10.215 -3.280
445 HG1 THR 56 HG1 THR 56 6.427 -7.779 -3.407
446 1HG2 THR 56 1HG2 THR 56 3.721 -9.778 -2.091
447 2HG2 THR 56 2HG2 THR 56 4.567 -8.786 -0.905
448 3HG2 THR 56 3HG2 THR 56 4.864 -10.521 -0.976
449 H MET 57 H MET 57 8.500 -9.259 0.295
450 HA MET 57 HA MET 57 7.039 -7.362 1.788
451 1HB MET 57 1HB MET 57 9.794 -8.528 1.944
452 2HB MET 57 2HB MET 57 9.417 -7.117 2.931
453 1HG MET 57 1HG MET 57 7.291 -9.115 3.042
454 2HG MET 57 2HG MET 57 8.840 -9.769 3.571
455 1HE MET 57 1HE MET 57 6.385 -6.362 5.363
456 2HE MET 57 2HE MET 57 6.068 -7.325 3.923
457 3HE MET 57 3HE MET 57 7.276 -6.044 3.869
458 H ALA 58 H ALA 58 9.753 -7.071 -0.439
459 HA ALA 58 HA ALA 58 10.425 -4.382 -0.004
460 1HB ALA 58 1HB ALA 58 11.466 -4.467 -2.210
461 2HB ALA 58 2HB ALA 58 10.564 -5.932 -2.600
462 3HB ALA 58 3HB ALA 58 11.790 -5.962 -1.333
463 H THR 59 H THR 59 7.803 -5.839 -1.813
464 HA THR 59 HA THR 59 7.110 -3.490 -3.300
465 HB THR 59 HB THR 59 5.452 -5.927 -2.606
466 HG1 THR 59 HG1 THR 59 7.490 -6.071 -3.895
467 1HG2 THR 59 1HG2 THR 59 5.034 -3.591 -4.465
468 2HG2 THR 59 2HG2 THR 59 3.916 -4.267 -3.280
469 3HG2 THR 59 3HG2 THR 59 4.264 -5.148 -4.766
470 H PHE 60 H PHE 60 5.866 -4.990 -0.313
471 HA PHE 60 HA PHE 60 3.777 -3.179 0.176
472 1HB PHE 60 1HB PHE 60 3.885 -5.193 1.472
473 2HB PHE 60 2HB PHE 60 5.496 -4.795 2.068
474 HD1 PHE 60 HD1 PHE 60 2.072 -3.247 1.907
475 HD2 PHE 60 HD2 PHE 60 5.653 -3.868 4.200
476 HE1 PHE 60 HE1 PHE 60 1.069 -2.013 3.809
477 HE2 PHE 60 HE2 PHE 60 4.648 -2.635 6.101
478 HZ PHE 60 HZ PHE 60 2.357 -1.707 5.907
479 H ASP 61 H ASP 61 7.145 -3.147 1.347
480 HA ASP 61 HA ASP 61 7.062 -0.789 2.820
481 1HB ASP 61 1HB ASP 61 9.382 -1.776 1.145
482 2HB ASP 61 2HB ASP 61 9.465 -0.717 2.548
483 H GLU 62 H GLU 62 7.655 -1.297 -0.638
484 HA GLU 62 HA GLU 62 8.168 1.419 -1.278
485 1HB GLU 62 1HB GLU 62 8.685 -0.648 -2.695
486 2HB GLU 62 2HB GLU 62 6.985 -0.624 -3.162
487 1HG GLU 62 1HG GLU 62 8.236 0.596 -4.836
488 2HG GLU 62 2HG GLU 62 7.290 1.758 -3.907
489 H ALA 63 H ALA 63 5.228 -0.560 -1.282
490 HA ALA 63 HA ALA 63 3.480 1.328 -2.427
491 1HB ALA 63 1HB ALA 63 2.671 -0.639 -0.287
492 2HB ALA 63 2HB ALA 63 3.059 -1.158 -1.927
493 3HB ALA 63 3HB ALA 63 1.718 -0.048 -1.648
494 H TRP 64 H TRP 64 4.314 0.658 0.961
495 HA TRP 64 HA TRP 64 2.643 2.517 2.206
496 1HB TRP 64 1HB TRP 64 4.166 0.732 3.266
497 2HB TRP 64 2HB TRP 64 5.451 1.934 3.147
498 HD1 TRP 64 HD1 TRP 64 5.366 4.003 4.748
499 HE1 TRP 64 HE1 TRP 64 3.920 4.583 6.804
500 HE3 TRP 64 HE3 TRP 64 1.727 0.448 4.300
501 HZ2 TRP 64 HZ2 TRP 64 1.537 3.658 8.089
502 HZ3 TRP 64 HZ3 TRP 64 -0.116 0.319 5.952
503 HH2 TRP 64 HH2 TRP 64 -0.216 1.919 7.844
504 H ASP 65 H ASP 65 5.979 2.912 1.018
505 HA ASP 65 HA ASP 65 6.423 5.554 1.747
506 1HB ASP 65 1HB ASP 65 8.215 4.242 0.817
507 2HB ASP 65 2HB ASP 65 7.346 4.037 -0.703
508 H GLN 66 H GLN 66 4.695 4.248 -1.043
509 HA GLN 66 HA GLN 66 4.240 6.795 -2.279
510 1HB GLN 66 1HB GLN 66 2.769 4.171 -2.658
511 2HB GLN 66 2HB GLN 66 2.680 5.571 -3.725
512 1HG GLN 66 1HG GLN 66 5.380 4.436 -3.094
513 2HG GLN 66 2HG GLN 66 4.356 3.573 -4.238
514 1HE2 GLN 66 1HE2 GLN 66 5.147 4.133 -6.281
515 2HE2 GLN 66 2HE2 GLN 66 5.446 5.724 -6.794
516 H TYR 67 H TYR 67 2.348 4.629 -0.196
517 HA TYR 67 HA TYR 67 -0.074 6.017 -0.183
518 1HB TYR 67 1HB TYR 67 0.148 3.799 0.801
519 2HB TYR 67 2HB TYR 67 1.232 4.427 2.041
520 HD1 TYR 67 HD1 TYR 67 -2.253 4.372 0.814
521 HD2 TYR 67 HD2 TYR 67 0.396 5.747 3.903
522 HE1 TYR 67 HE1 TYR 67 -4.204 4.965 2.222
523 HE2 TYR 67 HE2 TYR 67 -1.556 6.340 5.312
524 HH TYR 67 HH TYR 67 -4.415 6.878 4.355
525 H GLU 68 H GLU 68 2.524 6.234 2.280
526 HA GLU 68 HA GLU 68 1.435 8.405 3.678
527 1HB GLU 68 1HB GLU 68 3.676 8.721 4.621
528 2HB GLU 68 2HB GLU 68 3.250 7.013 4.580
529 1HG GLU 68 1HG GLU 68 5.342 6.845 3.654
530 2HG GLU 68 2HG GLU 68 4.442 7.186 2.181
531 H SER 69 H SER 69 3.544 8.321 0.863
532 HA SER 69 HA SER 69 4.229 11.029 0.741
533 1HB SER 69 1HB SER 69 5.348 9.487 -0.711
534 2HB SER 69 2HB SER 69 3.833 8.991 -1.456
535 HG SER 69 HG SER 69 3.765 10.823 -2.568
536 H GLU 70 H GLU 70 1.277 9.363 -0.255
537 HA GLU 70 HA GLU 70 0.204 11.716 -1.585
538 1HB GLU 70 1HB GLU 70 -1.285 9.200 -0.821
539 2HB GLU 70 2HB GLU 70 -1.700 10.360 -2.081
540 1HG GLU 70 1HG GLU 70 0.995 9.344 -2.454
541 2HG GLU 70 2HG GLU 70 -0.170 8.026 -2.387
542 H VAL 71 H VAL 71 -0.074 10.139 1.536
543 HA VAL 71 HA VAL 71 -2.210 11.983 2.369
544 HB VAL 71 HB VAL 71 -0.991 9.757 4.009
545 1HG1 VAL 71 1HG1 VAL 71 -2.952 9.935 5.313
546 2HG1 VAL 71 2HG1 VAL 71 -3.820 10.810 4.052
547 3HG1 VAL 71 3HG1 VAL 71 -2.538 11.612 4.961
548 1HG2 VAL 71 1HG2 VAL 71 -1.723 8.496 2.196
549 2HG2 VAL 71 2HG2 VAL 71 -2.960 9.668 1.747
550 3HG2 VAL 71 3HG2 VAL 71 -3.217 8.599 3.125
551 H HIS 72 H HIS 72 0.904 10.789 3.551
552 HA HIS 72 HA HIS 72 1.260 12.812 5.528
553 1HB HIS 72 1HB HIS 72 2.351 10.400 5.167
554 2HB HIS 72 2HB HIS 72 3.587 11.353 4.345
555 HD1 HIS 72 HD1 HIS 72 1.703 11.421 7.671
556 HD2 HIS 72 HD2 HIS 72 5.425 12.446 6.099
557 HE1 HIS 72 HE1 HIS 72 3.106 12.227 9.619
558 HE2 HIS 72 HE2 HIS 72 5.381 12.848 8.678
559 H GLY 73 H GLY 73 1.395 12.973 2.199
560 1HA GLY 73 2HA GLY 73 3.527 15.007 2.134
561 2HA GLY 73 1HA GLY 73 2.820 14.211 0.732
562 H ARG 74 H ARG 74 0.165 14.504 1.098
563 HA ARG 74 HA ARG 74 -1.509 15.970 0.557
564 1HB ARG 74 1HB ARG 74 -0.881 16.166 3.146
565 2HB ARG 74 2HB ARG 74 -0.517 17.811 2.654
566 1HG ARG 74 1HG ARG 74 -2.799 17.916 1.586
567 2HG ARG 74 2HG ARG 74 -3.137 16.343 2.307
568 1HD ARG 74 1HD ARG 74 -4.003 17.783 3.924
569 2HD ARG 74 2HD ARG 74 -2.376 17.504 4.535
570 HE ARG 74 HE ARG 74 -1.831 19.717 3.999
571 1HH1 ARG 74 1HH2 ARG 74 -4.913 18.804 2.702
572 2HH1 ARG 74 2HH2 ARG 74 -5.373 20.424 2.296
573 1HH2 ARG 74 1HH1 ARG 74 -2.436 21.840 3.470
574 2HH2 ARG 74 2HH1 ARG 74 -3.974 22.140 2.733
575 H LEU 75 H LEU 75 -1.471 18.847 1.048
576 HA LEU 75 HA LEU 75 -0.063 19.653 -1.376
577 1HB LEU 75 1HB LEU 75 -2.221 20.816 0.339
578 2HB LEU 75 2HB LEU 75 -1.260 21.913 -0.649
579 HG LEU 75 HG LEU 75 -3.298 21.139 -1.836
580 1HD1 LEU 75 1HD1 LEU 75 -1.006 19.802 -3.235
581 2HD1 LEU 75 2HD1 LEU 75 -0.915 21.534 -2.912
582 3HD1 LEU 75 3HD1 LEU 75 -2.235 20.887 -3.884
583 1HD2 LEU 75 1HD2 LEU 75 -3.229 18.845 -0.675
584 2HD2 LEU 75 2HD2 LEU 75 -2.025 18.396 -1.882
585 3HD2 LEU 75 3HD2 LEU 75 -3.652 18.850 -2.387
586 H GLU 76 H GLU 76 1.414 18.975 1.070
587 HA GLU 76 HA GLU 76 2.506 21.549 1.948
588 1HB GLU 76 1HB GLU 76 3.246 18.749 2.837
589 2HB GLU 76 2HB GLU 76 3.710 20.261 3.617
590 1HG GLU 76 1HG GLU 76 0.795 19.829 3.192
591 2HG GLU 76 2HG GLU 76 1.571 18.813 4.404
592 H HIS 77 H HIS 77 2.939 20.956 -0.766
593 HA HIS 77 HA HIS 77 5.342 19.667 -1.383
594 1HB HIS 77 1HB HIS 77 5.393 21.244 -3.370
595 2HB HIS 77 2HB HIS 77 3.904 20.320 -3.179
596 HD1 HIS 77 HD1 HIS 77 1.795 21.611 -2.306
597 HD2 HIS 77 HD2 HIS 77 5.112 24.042 -2.996
598 HE1 HIS 77 HE1 HIS 77 0.953 23.999 -2.275
599 HE2 HIS 77 HE2 HIS 77 2.963 25.493 -2.690
600 H HIS 78 H HIS 78 7.457 20.212 -1.255
601 HA HIS 78 HA HIS 78 8.187 22.951 -0.470
602 1HB HIS 78 1HB HIS 78 7.949 21.467 1.576
603 2HB HIS 78 2HB HIS 78 9.303 20.527 0.950
604 HD1 HIS 78 HD1 HIS 78 11.517 21.293 1.778
605 HD2 HIS 78 HD2 HIS 78 8.760 24.419 1.692
606 HE1 HIS 78 HE1 HIS 78 12.712 23.328 2.697
607 HE2 HIS 78 HE2 HIS 78 11.045 25.243 2.651
608 H HIS 79 H HIS 79 9.685 19.742 -0.966
609 HA HIS 79 HA HIS 79 12.120 20.649 -1.981
610 1HB HIS 79 1HB HIS 79 12.382 18.399 -2.920
611 2HB HIS 79 2HB HIS 79 11.712 18.316 -1.293
612 HD1 HIS 79 HD1 HIS 79 8.766 18.816 -1.761
613 HD2 HIS 79 HD2 HIS 79 11.041 16.402 -4.286
614 HE1 HIS 79 HE1 HIS 79 7.135 17.293 -2.956
615 HE2 HIS 79 HE2 HIS 79 8.507 15.812 -4.498
616 H HIS 80 H HIS 80 9.086 19.920 -3.660
617 HA HIS 80 HA HIS 80 10.248 20.832 -6.201
618 1HB HIS 80 1HB HIS 80 8.752 18.683 -5.829
619 2HB HIS 80 2HB HIS 80 7.431 19.843 -5.944
620 HD1 HIS 80 HD1 HIS 80 10.649 20.155 -7.901
621 HD2 HIS 80 HD2 HIS 80 6.655 19.165 -8.570
622 HE1 HIS 80 HE1 HIS 80 10.351 20.038 -10.413
623 HE2 HIS 80 HE2 HIS 80 7.921 19.438 -10.837
624 H HIS 81 H HIS 81 10.274 23.018 -6.192
625 HA HIS 81 HA HIS 81 8.084 24.569 -5.103
626 1HB HIS 81 1HB HIS 81 10.433 25.553 -6.735
627 2HB HIS 81 2HB HIS 81 9.415 26.493 -5.642
628 HD1 HIS 81 HD1 HIS 81 9.783 26.183 -3.091
629 HD2 HIS 81 HD2 HIS 81 12.368 23.907 -5.439
630 HE1 HIS 81 HE1 HIS 81 11.577 25.305 -1.535
631 HE2 HIS 81 HE2 HIS 81 13.159 23.912 -2.951
632 H HIS 82 H HIS 82 7.028 22.943 -7.004
633 HA HIS 82 HA HIS 82 6.462 24.792 -9.246
634 1HB HIS 82 1HB HIS 82 6.588 21.767 -9.272
635 2HB HIS 82 2HB HIS 82 6.004 22.753 -10.611
636 HD1 HIS 82 HD1 HIS 82 7.765 23.181 -12.307
637 HD2 HIS 82 HD2 HIS 82 9.398 22.821 -8.489
638 HE1 HIS 82 HE1 HIS 82 10.268 23.467 -12.568
639 HE2 HIS 82 HE2 HIS 82 11.277 23.255 -10.247
Start of MODEL 2
1 1H MET 1 1HT MET 1 -7.511 8.602 6.668
2 2H MET 1 2HT MET 1 -8.010 10.038 5.910
3 3H MET 1 3HT MET 1 -6.437 9.907 6.541
4 HA MET 1 HA MET 1 -6.434 9.697 4.126
5 1HB MET 1 1HB MET 1 -5.870 6.934 5.145
6 2HB MET 1 2HB MET 1 -4.891 7.961 4.098
7 1HG MET 1 1HG MET 1 -5.308 8.308 7.084
8 2HG MET 1 2HG MET 1 -3.822 7.801 6.283
9 1HE MET 1 1HE MET 1 -3.844 9.636 8.288
10 2HE MET 1 2HE MET 1 -3.655 11.357 7.960
11 3HE MET 1 3HE MET 1 -2.380 10.234 7.495
12 H LYS 2 H LYS 2 -6.784 7.939 2.394
13 HA LYS 2 HA LYS 2 -9.613 7.161 2.499
14 1HB LYS 2 1HB LYS 2 -9.457 6.898 0.093
15 2HB LYS 2 2HB LYS 2 -8.769 8.456 0.545
16 1HG LYS 2 1HG LYS 2 -6.706 6.440 0.640
17 2HG LYS 2 2HG LYS 2 -7.519 6.378 -0.924
18 1HD LYS 2 1HD LYS 2 -7.229 8.884 -1.079
19 2HD LYS 2 2HD LYS 2 -6.220 8.794 0.367
20 1HE LYS 2 1HE LYS 2 -4.690 7.244 -0.787
21 2HE LYS 2 2HE LYS 2 -5.704 7.311 -2.229
22 1HZ LYS 2 2HZ LYS 2 -4.968 9.351 -2.766
23 2HZ LYS 2 2HZ LYS 2 -3.625 8.913 -1.821
24 3HZ LYS 2 3HZ LYS 2 -4.861 9.872 -1.155
25 H SER 3 H SER 3 -6.568 5.844 2.983
26 HA SER 3 HA SER 3 -6.203 3.670 3.828
27 1HB SER 3 1HB SER 3 -8.383 2.701 1.971
28 2HB SER 3 2HB SER 3 -7.553 1.777 3.214
29 HG SER 3 HG SER 3 -9.605 2.599 3.893
30 H PHE 4 H PHE 4 -4.503 2.585 3.122
31 HA PHE 4 HA PHE 4 -3.237 3.119 0.697
32 1HB PHE 4 1HB PHE 4 -2.056 2.238 2.648
33 2HB PHE 4 2HB PHE 4 -2.939 0.719 2.522
34 HD1 PHE 4 HD1 PHE 4 -0.275 2.803 1.090
35 HD2 PHE 4 HD2 PHE 4 -2.476 -0.865 0.692
36 HE1 PHE 4 HE1 PHE 4 1.435 1.949 -0.488
37 HE2 PHE 4 HE2 PHE 4 -0.765 -1.718 -0.888
38 HZ PHE 4 HZ PHE 4 1.190 -0.312 -1.475
39 H TYR 5 H TYR 5 -5.429 0.506 1.605
40 HA TYR 5 HA TYR 5 -5.121 -1.033 -0.765
41 1HB TYR 5 1HB TYR 5 -6.102 -1.813 1.441
42 2HB TYR 5 2HB TYR 5 -7.572 -0.946 0.997
43 HD1 TYR 5 HD1 TYR 5 -9.186 -1.993 -0.347
44 HD2 TYR 5 HD2 TYR 5 -5.159 -3.492 -0.326
45 HE1 TYR 5 HE1 TYR 5 -9.891 -3.907 -1.757
46 HE2 TYR 5 HE2 TYR 5 -5.865 -5.406 -1.735
47 HH TYR 5 HH TYR 5 -7.960 -6.647 -2.236
48 H HIS 6 H HIS 6 -7.221 1.660 0.123
49 HA HIS 6 HA HIS 6 -9.001 1.444 -2.086
50 1HB HIS 6 1HB HIS 6 -8.261 3.685 -0.239
51 2HB HIS 6 2HB HIS 6 -9.362 3.930 -1.593
52 HD1 HIS 6 HD1 HIS 6 -11.463 4.234 -0.116
53 HD2 HIS 6 HD2 HIS 6 -9.525 0.595 0.496
54 HE1 HIS 6 HE1 HIS 6 -13.039 2.805 1.257
55 HE2 HIS 6 HE2 HIS 6 -11.871 0.583 1.638
56 H TYR 7 H TYR 7 -6.023 3.343 -1.551
57 HA TYR 7 HA TYR 7 -6.056 4.708 -4.017
58 1HB TYR 7 1HB TYR 7 -4.432 5.386 -2.368
59 2HB TYR 7 2HB TYR 7 -3.751 3.761 -2.287
60 HD1 TYR 7 HD1 TYR 7 -4.570 6.294 -4.946
61 HD2 TYR 7 HD2 TYR 7 -1.733 3.455 -3.410
62 HE1 TYR 7 HE1 TYR 7 -3.015 6.848 -6.793
63 HE2 TYR 7 HE2 TYR 7 -0.177 4.013 -5.258
64 HH TYR 7 HH TYR 7 -0.086 5.005 -7.347
65 H LEU 8 H LEU 8 -4.620 1.652 -2.998
66 HA LEU 8 HA LEU 8 -3.639 0.779 -5.478
67 1HB LEU 8 1HB LEU 8 -3.381 -0.173 -3.020
68 2HB LEU 8 2HB LEU 8 -4.749 -1.176 -3.502
69 HG LEU 8 HG LEU 8 -3.333 -1.638 -5.652
70 1HD1 LEU 8 1HD1 LEU 8 -1.640 0.152 -4.936
71 2HD1 LEU 8 2HD1 LEU 8 -0.971 -1.399 -5.440
72 3HD1 LEU 8 3HD1 LEU 8 -1.089 -1.007 -3.725
73 1HD2 LEU 8 1HD2 LEU 8 -2.151 -3.498 -4.448
74 2HD2 LEU 8 2HD2 LEU 8 -3.856 -3.368 -4.016
75 3HD2 LEU 8 3HD2 LEU 8 -2.620 -2.753 -2.919
76 H LEU 9 H LEU 9 -6.897 0.837 -4.132
77 HA LEU 9 HA LEU 9 -8.061 -1.167 -5.728
78 1HB LEU 9 1HB LEU 9 -9.021 0.970 -4.031
79 2HB LEU 9 2HB LEU 9 -10.030 0.811 -5.464
80 HG LEU 9 HG LEU 9 -9.248 -1.442 -3.585
81 1HD1 LEU 9 1HD1 LEU 9 -10.897 0.186 -2.656
82 2HD1 LEU 9 2HD1 LEU 9 -11.591 -1.415 -2.908
83 3HD1 LEU 9 3HD1 LEU 9 -11.937 -0.116 -4.048
84 1HD2 LEU 9 1HD2 LEU 9 -9.626 -2.636 -5.506
85 2HD2 LEU 9 2HD2 LEU 9 -10.549 -1.335 -6.258
86 3HD2 LEU 9 3HD2 LEU 9 -11.316 -2.387 -5.068
87 H LYS 10 H LYS 10 -6.922 1.978 -6.595
88 HA LYS 10 HA LYS 10 -8.504 2.421 -8.914
89 1HB LYS 10 1HB LYS 10 -7.212 4.226 -7.901
90 2HB LYS 10 2HB LYS 10 -5.707 3.364 -8.219
91 1HG LYS 10 1HG LYS 10 -5.834 3.723 -10.530
92 2HG LYS 10 2HG LYS 10 -7.577 3.996 -10.490
93 1HD LYS 10 1HD LYS 10 -7.343 6.171 -9.616
94 2HD LYS 10 2HD LYS 10 -5.695 5.871 -9.063
95 1HE LYS 10 1HE LYS 10 -6.389 5.762 -11.993
96 2HE LYS 10 2HE LYS 10 -6.011 7.294 -11.206
97 1HZ LYS 10 2HZ LYS 10 -4.240 5.321 -12.108
98 2HZ LYS 10 2HZ LYS 10 -4.101 5.416 -10.417
99 3HZ LYS 10 3HZ LYS 10 -3.876 6.804 -11.370
100 H TYR 11 H TYR 11 -6.018 0.222 -8.203
101 HA TYR 11 HA TYR 11 -5.380 -0.301 -11.018
102 1HB TYR 11 1HB TYR 11 -4.072 -0.991 -8.397
103 2HB TYR 11 2HB TYR 11 -3.765 -1.987 -9.814
104 HD1 TYR 11 HD1 TYR 11 -3.152 -0.662 -12.024
105 HD2 TYR 11 HD2 TYR 11 -2.757 0.906 -8.041
106 HE1 TYR 11 HE1 TYR 11 -1.501 0.999 -12.839
107 HE2 TYR 11 HE2 TYR 11 -1.107 2.566 -8.859
108 HH TYR 11 HH TYR 11 -0.568 3.117 -12.219
109 H ARG 12 H ARG 12 -7.875 -0.814 -10.535
110 HA ARG 12 HA ARG 12 -8.800 -3.144 -9.373
111 1HB ARG 12 1HB ARG 12 -9.779 -1.988 -11.988
112 2HB ARG 12 2HB ARG 12 -10.693 -2.978 -10.857
113 1HG ARG 12 1HG ARG 12 -10.631 -1.263 -9.179
114 2HG ARG 12 2HG ARG 12 -9.494 -0.302 -10.121
115 1HD ARG 12 1HD ARG 12 -12.192 -1.063 -11.218
116 2HD ARG 12 2HD ARG 12 -11.968 0.385 -10.240
117 HE ARG 12 HE ARG 12 -10.062 0.714 -12.100
118 1HH1 ARG 12 1HH2 ARG 12 -13.383 -0.251 -12.340
119 2HH1 ARG 12 2HH2 ARG 12 -13.598 0.399 -13.930
120 1HH2 ARG 12 1HH1 ARG 12 -10.340 1.562 -14.185
121 2HH2 ARG 12 2HH1 ARG 12 -11.875 1.424 -14.975
122 H HIS 13 H HIS 13 -6.642 -4.304 -10.048
123 HA HIS 13 HA HIS 13 -5.493 -5.767 -11.461
124 1HB HIS 13 1HB HIS 13 -6.622 -7.918 -11.386
125 2HB HIS 13 2HB HIS 13 -6.863 -7.060 -9.868
126 HD1 HIS 13 HD1 HIS 13 -9.241 -5.694 -9.726
127 HD2 HIS 13 HD2 HIS 13 -8.988 -8.741 -12.562
128 HE1 HIS 13 HE1 HIS 13 -11.621 -6.294 -10.349
129 HE2 HIS 13 HE2 HIS 13 -11.483 -8.150 -12.075
130 HA PRO 14 HA PRO 14 -7.914 -4.960 -15.415
131 1HB PRO 14 1HB PRO 14 -6.666 -2.782 -16.425
132 2HB PRO 14 2HB PRO 14 -7.992 -2.649 -15.253
133 1HG PRO 14 1HG PRO 14 -5.059 -2.386 -14.824
134 2HG PRO 14 2HG PRO 14 -6.396 -1.474 -14.103
135 1HD PRO 14 1HD PRO 14 -5.070 -3.569 -12.845
136 2HD PRO 14 2HD PRO 14 -6.696 -3.000 -12.430
137 H LYS 15 H LYS 15 -4.878 -3.470 -16.235
138 HA LYS 15 HA LYS 15 -4.040 -5.952 -17.607
139 1HB LYS 15 1HB LYS 15 -2.601 -4.192 -18.935
140 2HB LYS 15 2HB LYS 15 -4.300 -4.434 -19.338
141 1HG LYS 15 1HG LYS 15 -4.885 -2.518 -17.840
142 2HG LYS 15 2HG LYS 15 -3.165 -2.244 -17.569
143 1HD LYS 15 1HD LYS 15 -3.471 -0.803 -19.340
144 2HD LYS 15 2HD LYS 15 -3.138 -2.277 -20.250
145 1HE LYS 15 1HE LYS 15 -5.761 -2.624 -19.991
146 2HE LYS 15 2HE LYS 15 -5.743 -0.870 -19.806
147 1HZ LYS 15 2HZ LYS 15 -5.986 -1.317 -22.096
148 2HZ LYS 15 2HZ LYS 15 -4.730 -2.461 -22.092
149 3HZ LYS 15 3HZ LYS 15 -4.380 -0.812 -21.885
150 HA PRO 16 HA PRO 16 -0.898 -5.456 -14.331
151 1HB PRO 16 1HB PRO 16 -0.186 -8.104 -14.316
152 2HB PRO 16 2HB PRO 16 -1.547 -7.445 -13.396
153 1HG PRO 16 1HG PRO 16 -1.543 -8.919 -15.975
154 2HG PRO 16 2HG PRO 16 -2.683 -9.007 -14.623
155 1HD PRO 16 1HD PRO 16 -3.206 -7.619 -16.925
156 2HD PRO 16 2HD PRO 16 -3.895 -7.180 -15.347
157 H LYS 17 H LYS 17 1.082 -4.750 -14.807
158 HA LYS 17 HA LYS 17 2.802 -6.219 -16.633
159 1HB LYS 17 1HB LYS 17 3.365 -4.020 -17.845
160 2HB LYS 17 2HB LYS 17 1.864 -4.828 -18.293
161 1HG LYS 17 1HG LYS 17 0.658 -3.332 -16.659
162 2HG LYS 17 2HG LYS 17 2.170 -2.451 -16.436
163 1HD LYS 17 1HD LYS 17 0.954 -1.242 -18.104
164 2HD LYS 17 2HD LYS 17 2.206 -2.132 -18.970
165 1HE LYS 17 1HE LYS 17 0.689 -3.685 -19.842
166 2HE LYS 17 2HE LYS 17 -0.500 -3.383 -18.576
167 1HZ LYS 17 2HZ LYS 17 -1.150 -1.396 -19.548
168 2HZ LYS 17 2HZ LYS 17 -0.928 -2.418 -20.886
169 3HZ LYS 17 3HZ LYS 17 0.255 -1.265 -20.487
170 H ASP 18 H ASP 18 2.417 -3.215 -14.756
171 HA ASP 18 HA ASP 18 5.244 -3.142 -14.100
172 1HB ASP 18 1HB ASP 18 4.024 -1.039 -14.411
173 2HB ASP 18 2HB ASP 18 2.923 -1.468 -13.103
174 H SER 19 H SER 19 6.055 -3.278 -11.920
175 HA SER 19 HA SER 19 5.258 -5.518 -10.496
176 1HB SER 19 1HB SER 19 6.708 -4.707 -8.718
177 2HB SER 19 2HB SER 19 7.457 -4.404 -10.280
178 HG SER 19 HG SER 19 7.608 -2.483 -9.318
179 H ILE 20 H ILE 20 4.429 -2.108 -9.897
180 HA ILE 20 HA ILE 20 2.914 -2.574 -7.548
181 HB ILE 20 HB ILE 20 3.841 -0.342 -8.718
182 1HG1 ILE 20 1HG1 ILE 20 1.320 -0.375 -7.031
183 2HG1 ILE 20 2HG1 ILE 20 2.933 -0.686 -6.387
184 1HG2 ILE 20 1HG2 ILE 20 2.161 -0.509 -10.575
185 2HG2 ILE 20 2HG2 ILE 20 2.021 0.983 -9.647
186 3HG2 ILE 20 3HG2 ILE 20 0.877 -0.330 -9.378
187 1HD1 ILE 20 1HD1 ILE 20 3.656 1.546 -7.274
188 2HD1 ILE 20 2HD1 ILE 20 2.404 1.658 -6.037
189 3HD1 ILE 20 3HD1 ILE 20 1.983 1.857 -7.738
190 H SER 21 H SER 21 2.016 -2.372 -10.967
191 HA SER 21 HA SER 21 -0.780 -2.555 -10.597
192 1HB SER 21 1HB SER 21 0.881 -3.419 -12.973
193 2HB SER 21 2HB SER 21 -0.857 -3.138 -12.974
194 HG SER 21 HG SER 21 0.747 -1.105 -11.965
195 H GLU 22 H GLU 22 1.652 -5.062 -11.350
196 HA GLU 22 HA GLU 22 -0.106 -7.249 -11.480
197 1HB GLU 22 1HB GLU 22 2.787 -7.165 -10.575
198 2HB GLU 22 2HB GLU 22 1.902 -8.627 -11.007
199 1HG GLU 22 1HG GLU 22 1.507 -6.814 -13.145
200 2HG GLU 22 2HG GLU 22 3.220 -6.729 -12.741
201 H PHE 23 H PHE 23 1.497 -5.687 -8.763
202 HA PHE 23 HA PHE 23 0.874 -7.567 -6.759
203 1HB PHE 23 1HB PHE 23 2.493 -5.768 -6.409
204 2HB PHE 23 2HB PHE 23 1.221 -4.562 -6.585
205 HD1 PHE 23 HD1 PHE 23 0.335 -3.685 -4.629
206 HD2 PHE 23 HD2 PHE 23 1.831 -7.714 -4.618
207 HE1 PHE 23 HE1 PHE 23 -0.201 -3.878 -2.216
208 HE2 PHE 23 HE2 PHE 23 1.293 -7.905 -2.205
209 HZ PHE 23 HZ PHE 23 0.279 -5.988 -1.004
210 H ALA 24 H ALA 24 -0.877 -4.783 -8.054
211 HA ALA 24 HA ALA 24 -3.026 -4.686 -6.283
212 1HB ALA 24 1HB ALA 24 -2.398 -3.135 -8.274
213 2HB ALA 24 2HB ALA 24 -4.099 -3.347 -7.864
214 3HB ALA 24 3HB ALA 24 -3.404 -4.225 -9.226
215 H ASN 25 H ASN 25 -2.703 -6.542 -9.318
216 HA ASN 25 HA ASN 25 -5.228 -7.741 -9.315
217 1HB ASN 25 1HB ASN 25 -2.723 -9.153 -10.231
218 2HB ASN 25 2HB ASN 25 -4.362 -9.342 -10.847
219 1HD2 ASN 25 1HD2 ASN 25 -4.999 -7.954 -12.559
220 2HD2 ASN 25 2HD2 ASN 25 -4.044 -6.680 -13.139
221 H GLN 26 H GLN 26 -2.188 -8.914 -7.893
222 HA GLN 26 HA GLN 26 -3.205 -11.325 -6.853
223 1HB GLN 26 1HB GLN 26 -0.777 -10.714 -7.100
224 2HB GLN 26 2HB GLN 26 -0.955 -9.679 -5.682
225 1HG GLN 26 1HG GLN 26 -1.713 -11.635 -4.362
226 2HG GLN 26 2HG GLN 26 -1.490 -12.665 -5.775
227 1HE2 GLN 26 1HE2 GLN 26 -0.041 -12.773 -3.139
228 2HE2 GLN 26 2HE2 GLN 26 1.603 -12.600 -3.527
229 H ALA 27 H ALA 27 -2.700 -8.171 -5.254
230 HA ALA 27 HA ALA 27 -3.671 -8.858 -2.726
231 1HB ALA 27 1HB ALA 27 -2.488 -6.725 -3.366
232 2HB ALA 27 2HB ALA 27 -3.892 -6.506 -2.322
233 3HB ALA 27 3HB ALA 27 -4.014 -6.162 -4.047
234 H TYR 28 H TYR 28 -5.389 -7.892 -5.646
235 HA TYR 28 HA TYR 28 -7.928 -7.443 -4.510
236 1HB TYR 28 1HB TYR 28 -7.086 -6.960 -6.913
237 2HB TYR 28 2HB TYR 28 -7.541 -8.629 -7.253
238 HD1 TYR 28 HD1 TYR 28 -9.885 -9.352 -7.128
239 HD2 TYR 28 HD2 TYR 28 -8.769 -5.266 -6.405
240 HE1 TYR 28 HE1 TYR 28 -12.256 -8.664 -7.350
241 HE2 TYR 28 HE2 TYR 28 -11.140 -4.581 -6.628
242 HH TYR 28 HH TYR 28 -13.718 -6.893 -6.765
243 H GLU 29 H GLU 29 -6.186 -10.370 -5.230
244 HA GLU 29 HA GLU 29 -8.518 -12.078 -5.105
245 1HB GLU 29 1HB GLU 29 -5.653 -13.000 -4.966
246 2HB GLU 29 2HB GLU 29 -7.055 -13.844 -5.613
247 1HG GLU 29 1HG GLU 29 -7.090 -11.645 -7.191
248 2HG GLU 29 2HG GLU 29 -5.361 -11.760 -6.871
249 H ASP 30 H ASP 30 -7.795 -10.385 -2.731
250 HA ASP 30 HA ASP 30 -8.208 -12.431 -0.744
251 1HB ASP 30 1HB ASP 30 -6.212 -11.557 0.649
252 2HB ASP 30 2HB ASP 30 -5.884 -12.709 -0.642
253 H HIS 31 H HIS 31 -10.114 -11.254 -0.441
254 HA HIS 31 HA HIS 31 -10.187 -8.477 0.177
255 1HB HIS 31 1HB HIS 31 -12.098 -9.976 -0.650
256 2HB HIS 31 2HB HIS 31 -12.257 -10.499 1.026
257 HD1 HIS 31 HD1 HIS 31 -13.554 -8.993 2.563
258 HD2 HIS 31 HD2 HIS 31 -12.426 -7.034 -0.940
259 HE1 HIS 31 HE1 HIS 31 -14.664 -6.717 2.625
260 HE2 HIS 31 HE2 HIS 31 -13.985 -5.511 0.497
261 H SER 32 H SER 32 -8.265 -10.066 1.802
262 HA SER 32 HA SER 32 -9.393 -9.678 4.502
263 1HB SER 32 1HB SER 32 -7.553 -11.128 5.267
264 2HB SER 32 2HB SER 32 -8.549 -11.933 4.059
265 HG SER 32 HG SER 32 -6.941 -11.109 2.509
266 H PHE 33 H PHE 33 -7.282 -8.317 2.229
267 HA PHE 33 HA PHE 33 -5.147 -7.289 3.619
268 1HB PHE 33 1HB PHE 33 -6.146 -6.906 1.130
269 2HB PHE 33 2HB PHE 33 -6.547 -5.354 1.861
270 HD1 PHE 33 HD1 PHE 33 -3.742 -7.738 1.251
271 HD2 PHE 33 HD2 PHE 33 -4.872 -3.718 2.269
272 HE1 PHE 33 HE1 PHE 33 -1.382 -7.011 1.009
273 HE2 PHE 33 HE2 PHE 33 -2.513 -2.994 2.029
274 HZ PHE 33 HZ PHE 33 -0.768 -4.639 1.398
275 HA PRO 34 HA PRO 34 -6.936 -4.734 6.774
276 1HB PRO 34 1HB PRO 34 -4.773 -3.148 7.329
277 2HB PRO 34 2HB PRO 34 -4.905 -4.838 7.848
278 1HG PRO 34 1HG PRO 34 -3.416 -3.679 5.545
279 2HG PRO 34 2HG PRO 34 -2.939 -4.966 6.666
280 1HD PRO 34 1HD PRO 34 -3.875 -5.473 4.154
281 2HD PRO 34 2HD PRO 34 -4.112 -6.593 5.512
282 H LYS 35 H LYS 35 -7.927 -3.929 4.392
283 HA LYS 35 HA LYS 35 -7.264 -1.378 3.443
284 1HB LYS 35 1HB LYS 35 -9.535 -1.331 2.507
285 2HB LYS 35 2HB LYS 35 -8.782 -2.906 2.256
286 1HG LYS 35 1HG LYS 35 -9.943 -3.648 4.415
287 2HG LYS 35 2HG LYS 35 -10.882 -2.158 4.302
288 1HD LYS 35 1HD LYS 35 -11.471 -2.883 1.917
289 2HD LYS 35 2HD LYS 35 -10.809 -4.461 2.344
290 1HE LYS 35 1HE LYS 35 -12.534 -4.951 3.786
291 2HE LYS 35 2HE LYS 35 -12.769 -3.265 4.245
292 1HZ LYS 35 2HZ LYS 35 -14.564 -3.488 2.926
293 2HZ LYS 35 2HZ LYS 35 -13.896 -4.761 2.020
294 3HZ LYS 35 3HZ LYS 35 -13.451 -3.154 1.691
295 H THR 36 H THR 36 -8.920 -2.367 6.318
296 HA THR 36 HA THR 36 -9.978 0.318 6.825
297 HB THR 36 HB THR 36 -11.450 -1.560 7.307
298 HG1 THR 36 HG1 THR 36 -12.093 -0.615 9.057
299 1HG2 THR 36 1HG2 THR 36 -10.026 -3.391 7.709
300 2HG2 THR 36 2HG2 THR 36 -10.716 -3.056 9.297
301 3HG2 THR 36 3HG2 THR 36 -9.083 -2.513 8.913
302 H SER 37 H SER 37 -7.063 -0.283 6.792
303 HA SER 37 HA SER 37 -6.213 1.322 8.917
304 1HB SER 37 1HB SER 37 -6.913 -0.911 10.126
305 2HB SER 37 2HB SER 37 -5.386 -1.509 9.493
306 HG SER 37 HG SER 37 -4.559 0.589 10.426
307 H THR 38 H THR 38 -4.762 2.246 7.540
308 HA THR 38 HA THR 38 -2.885 0.480 6.117
309 HB THR 38 HB THR 38 -3.787 1.905 4.521
310 HG1 THR 38 HG1 THR 38 -1.438 2.106 4.778
311 1HG2 THR 38 1HG2 THR 38 -5.148 3.326 5.880
312 2HG2 THR 38 2HG2 THR 38 -4.071 4.394 4.983
313 3HG2 THR 38 3HG2 THR 38 -3.740 4.029 6.675
314 H ASP 39 H ASP 39 -1.174 0.062 7.297
315 HA ASP 39 HA ASP 39 0.438 2.283 8.282
316 1HB ASP 39 1HB ASP 39 -0.589 1.860 10.307
317 2HB ASP 39 2HB ASP 39 -0.808 0.150 9.966
318 H TYR 40 H TYR 40 2.566 1.941 7.899
319 HA TYR 40 HA TYR 40 3.504 0.019 6.182
320 1HB TYR 40 1HB TYR 40 4.789 2.014 6.771
321 2HB TYR 40 2HB TYR 40 5.056 1.383 8.395
322 HD1 TYR 40 HD1 TYR 40 5.846 0.931 4.806
323 HD2 TYR 40 HD2 TYR 40 6.647 -0.396 8.814
324 HE1 TYR 40 HE1 TYR 40 7.824 -0.327 3.996
325 HE2 TYR 40 HE2 TYR 40 8.623 -1.653 8.002
326 HH TYR 40 HH TYR 40 9.402 -1.819 4.539
327 H HIS 41 H HIS 41 3.632 -0.127 9.748
328 HA HIS 41 HA HIS 41 4.915 -2.642 9.909
329 1HB HIS 41 1HB HIS 41 4.448 -0.809 11.739
330 2HB HIS 41 2HB HIS 41 2.980 -1.742 12.014
331 HD1 HIS 41 HD1 HIS 41 6.038 -1.496 13.538
332 HD2 HIS 41 HD2 HIS 41 4.071 -4.784 11.894
333 HE1 HIS 41 HE1 HIS 41 7.048 -3.550 14.621
334 HE2 HIS 41 HE2 HIS 41 5.861 -5.563 13.626
335 H GLU 42 H GLU 42 1.460 -1.768 10.077
336 HA GLU 42 HA GLU 42 0.422 -4.327 10.523
337 1HB GLU 42 1HB GLU 42 -0.667 -1.831 9.271
338 2HB GLU 42 2HB GLU 42 -1.614 -3.318 9.222
339 1HG GLU 42 1HG GLU 42 -1.654 -3.483 11.609
340 2HG GLU 42 2HG GLU 42 -0.434 -2.224 11.784
341 H ILE 43 H ILE 43 0.871 -2.621 7.421
342 HA ILE 43 HA ILE 43 0.008 -4.797 5.815
343 HB ILE 43 HB ILE 43 1.471 -2.229 5.321
344 1HG1 ILE 43 1HG1 ILE 43 -0.456 -2.092 3.625
345 2HG1 ILE 43 2HG1 ILE 43 -1.088 -3.551 4.383
346 1HG2 ILE 43 1HG2 ILE 43 1.254 -4.550 3.382
347 2HG2 ILE 43 2HG2 ILE 43 2.722 -3.718 3.898
348 3HG2 ILE 43 3HG2 ILE 43 1.552 -2.888 2.873
349 1HD1 ILE 43 1HD1 ILE 43 -0.465 -0.980 5.866
350 2HD1 ILE 43 2HD1 ILE 43 -1.224 -2.422 6.542
351 3HD1 ILE 43 3HD1 ILE 43 -2.075 -1.461 5.332
352 H SER 44 H SER 44 3.202 -3.716 6.918
353 HA SER 44 HA SER 44 4.841 -5.412 5.461
354 1HB SER 44 1HB SER 44 5.941 -3.829 6.803
355 2HB SER 44 2HB SER 44 5.051 -4.297 8.248
356 HG SER 44 HG SER 44 6.276 -6.089 8.430
357 H SER 45 H SER 45 3.233 -6.057 8.576
358 HA SER 45 HA SER 45 4.168 -8.703 8.889
359 1HB SER 45 1HB SER 45 3.091 -7.253 10.663
360 2HB SER 45 2HB SER 45 1.540 -7.610 9.908
361 HG SER 45 HG SER 45 1.589 -9.414 10.966
362 H TYR 46 H TYR 46 1.336 -7.352 7.256
363 HA TYR 46 HA TYR 46 -0.077 -9.732 6.777
364 1HB TYR 46 1HB TYR 46 -0.983 -7.453 6.381
365 2HB TYR 46 2HB TYR 46 0.095 -7.284 4.998
366 HD1 TYR 46 HD1 TYR 46 -2.917 -8.947 6.300
367 HD2 TYR 46 HD2 TYR 46 -0.248 -8.599 2.951
368 HE1 TYR 46 HE1 TYR 46 -4.573 -10.102 4.860
369 HE2 TYR 46 HE2 TYR 46 -1.904 -9.756 1.513
370 HH TYR 46 HH TYR 46 -4.243 -11.579 2.499
371 H LEU 47 H LEU 47 2.630 -8.239 5.085
372 HA LEU 47 HA LEU 47 2.587 -10.056 2.862
373 1HB LEU 47 1HB LEU 47 4.773 -8.226 3.891
374 2HB LEU 47 2HB LEU 47 4.810 -9.083 2.351
375 HG LEU 47 HG LEU 47 2.525 -7.247 3.086
376 1HD1 LEU 47 1HD1 LEU 47 3.730 -5.562 1.611
377 2HD1 LEU 47 2HD1 LEU 47 5.167 -6.572 1.769
378 3HD1 LEU 47 3HD1 LEU 47 4.453 -5.823 3.197
379 1HD2 LEU 47 1HD2 LEU 47 2.449 -7.128 0.528
380 2HD2 LEU 47 2HD2 LEU 47 2.014 -8.681 1.238
381 3HD2 LEU 47 3HD2 LEU 47 3.612 -8.452 0.528
382 H GLU 48 H GLU 48 4.507 -9.781 5.847
383 HA GLU 48 HA GLU 48 6.157 -12.042 5.390
384 1HB GLU 48 1HB GLU 48 5.277 -10.831 8.025
385 2HB GLU 48 2HB GLU 48 6.640 -11.925 7.795
386 1HG GLU 48 1HG GLU 48 6.371 -9.226 6.439
387 2HG GLU 48 2HG GLU 48 7.309 -9.512 7.901
388 H LEU 49 H LEU 49 2.938 -11.632 6.652
389 HA LEU 49 HA LEU 49 2.627 -14.146 7.919
390 1HB LEU 49 1HB LEU 49 0.765 -12.038 6.887
391 2HB LEU 49 2HB LEU 49 0.112 -13.606 7.360
392 HG LEU 49 HG LEU 49 2.026 -12.237 9.219
393 1HD1 LEU 49 1HD1 LEU 49 -0.246 -11.318 10.253
394 2HD1 LEU 49 2HD1 LEU 49 -0.763 -11.356 8.569
395 3HD1 LEU 49 3HD1 LEU 49 0.634 -10.391 9.040
396 1HD2 LEU 49 1HD2 LEU 49 -0.434 -13.984 9.572
397 2HD2 LEU 49 2HD2 LEU 49 0.569 -13.376 10.889
398 3HD2 LEU 49 3HD2 LEU 49 1.244 -14.509 9.717
399 H ASN 50 H ASN 50 2.919 -13.344 4.639
400 HA ASN 50 HA ASN 50 2.181 -16.070 3.870
401 1HB ASN 50 1HB ASN 50 1.009 -13.668 2.447
402 2HB ASN 50 2HB ASN 50 0.723 -15.365 2.068
403 1HD2 ASN 50 1HD2 ASN 50 0.045 -12.815 4.454
404 2HD2 ASN 50 2HD2 ASN 50 -1.235 -13.634 5.211
405 H ALA 51 H ALA 51 4.106 -16.673 3.111
406 HA ALA 51 HA ALA 51 6.070 -15.082 1.938
407 1HB ALA 51 1HB ALA 51 7.151 -17.108 1.308
408 2HB ALA 51 2HB ALA 51 5.625 -17.994 1.273
409 3HB ALA 51 3HB ALA 51 6.299 -17.457 2.812
410 H ASP 52 H ASP 52 3.173 -16.406 0.569
411 HA ASP 52 HA ASP 52 3.870 -16.452 -2.157
412 1HB ASP 52 1HB ASP 52 1.184 -15.886 -0.877
413 2HB ASP 52 2HB ASP 52 1.438 -16.301 -2.570
414 H TYR 53 H TYR 53 3.069 -13.833 -0.005
415 HA TYR 53 HA TYR 53 2.821 -11.934 -2.228
416 1HB TYR 53 1HB TYR 53 2.419 -11.638 0.756
417 2HB TYR 53 2HB TYR 53 2.290 -10.304 -0.391
418 HD1 TYR 53 HD1 TYR 53 0.979 -13.747 0.271
419 HD2 TYR 53 HD2 TYR 53 0.261 -9.910 -1.525
420 HE1 TYR 53 HE1 TYR 53 -1.340 -14.434 -0.269
421 HE2 TYR 53 HE2 TYR 53 -2.060 -10.598 -2.063
422 HH TYR 53 HH TYR 53 -3.212 -13.888 -1.333
423 H LEU 54 H LEU 54 5.120 -13.091 0.043
424 HA LEU 54 HA LEU 54 6.797 -10.929 0.491
425 1HB LEU 54 1HB LEU 54 6.982 -13.378 1.310
426 2HB LEU 54 2HB LEU 54 7.889 -13.655 -0.175
427 HG LEU 54 HG LEU 54 9.248 -11.535 0.584
428 1HD1 LEU 54 1HD1 LEU 54 8.085 -12.531 3.205
429 2HD1 LEU 54 2HD1 LEU 54 7.762 -10.964 2.465
430 3HD1 LEU 54 3HD1 LEU 54 9.381 -11.347 3.047
431 1HD2 LEU 54 1HD2 LEU 54 10.813 -12.992 1.773
432 2HD2 LEU 54 2HD2 LEU 54 10.111 -13.872 0.416
433 3HD2 LEU 54 3HD2 LEU 54 9.535 -14.175 2.055
434 H HIS 55 H HIS 55 6.168 -12.642 -2.439
435 HA HIS 55 HA HIS 55 8.534 -11.899 -3.864
436 1HB HIS 55 1HB HIS 55 7.075 -13.838 -4.452
437 2HB HIS 55 2HB HIS 55 5.826 -12.701 -4.957
438 HD1 HIS 55 HD1 HIS 55 5.855 -12.900 -7.459
439 HD2 HIS 55 HD2 HIS 55 9.692 -12.468 -5.887
440 HE1 HIS 55 HE1 HIS 55 7.414 -12.632 -9.437
441 HE2 HIS 55 HE2 HIS 55 9.757 -12.367 -8.495
442 H THR 56 H THR 56 6.893 -9.725 -2.507
443 HA THR 56 HA THR 56 6.954 -7.873 -4.768
444 HB THR 56 HB THR 56 4.580 -8.852 -4.384
445 HG1 THR 56 HG1 THR 56 3.776 -6.576 -4.587
446 1HG2 THR 56 1HG2 THR 56 5.026 -8.100 -1.794
447 2HG2 THR 56 2HG2 THR 56 3.426 -8.314 -2.500
448 3HG2 THR 56 3HG2 THR 56 4.142 -6.705 -2.409
449 H MET 57 H MET 57 8.138 -8.585 -1.937
450 HA MET 57 HA MET 57 7.719 -6.545 -0.126
451 1HB MET 57 1HB MET 57 9.283 -8.604 0.021
452 2HB MET 57 2HB MET 57 10.493 -7.558 -0.720
453 1HG MET 57 1HG MET 57 10.930 -6.729 1.326
454 2HG MET 57 2HG MET 57 9.318 -6.015 1.325
455 1HE MET 57 1HE MET 57 7.354 -6.832 2.189
456 2HE MET 57 2HE MET 57 7.084 -8.205 3.259
457 3HE MET 57 3HE MET 57 7.247 -8.468 1.525
458 H ALA 58 H ALA 58 10.003 -6.589 -2.855
459 HA ALA 58 HA ALA 58 11.056 -4.003 -2.487
460 1HB ALA 58 1HB ALA 58 12.041 -4.263 -4.595
461 2HB ALA 58 2HB ALA 58 10.700 -5.228 -5.209
462 3HB ALA 58 3HB ALA 58 11.836 -5.929 -4.057
463 H THR 59 H THR 59 8.143 -5.176 -4.088
464 HA THR 59 HA THR 59 7.513 -2.683 -5.365
465 HB THR 59 HB THR 59 5.619 -4.925 -4.669
466 HG1 THR 59 HG1 THR 59 7.566 -4.650 -6.670
467 1HG2 THR 59 1HG2 THR 59 4.450 -4.123 -6.700
468 2HG2 THR 59 2HG2 THR 59 5.642 -2.834 -6.861
469 3HG2 THR 59 3HG2 THR 59 4.559 -2.866 -5.468
470 H PHE 60 H PHE 60 6.496 -4.304 -2.371
471 HA PHE 60 HA PHE 60 4.513 -2.498 -1.568
472 1HB PHE 60 1HB PHE 60 4.651 -4.501 -0.331
473 2HB PHE 60 2HB PHE 60 6.380 -4.311 -0.045
474 HD1 PHE 60 HD1 PHE 60 3.437 -2.011 0.401
475 HD2 PHE 60 HD2 PHE 60 6.787 -3.985 2.232
476 HE1 PHE 60 HE1 PHE 60 2.964 -0.840 2.533
477 HE2 PHE 60 HE2 PHE 60 6.310 -2.813 4.364
478 HZ PHE 60 HZ PHE 60 4.400 -1.240 4.515
479 H ASP 61 H ASP 61 7.992 -2.540 -0.784
480 HA ASP 61 HA ASP 61 8.100 -0.237 0.782
481 1HB ASP 61 1HB ASP 61 10.004 -1.761 0.529
482 2HB ASP 61 2HB ASP 61 10.174 -1.288 -1.161
483 H GLU 62 H GLU 62 8.476 -0.588 -2.737
484 HA GLU 62 HA GLU 62 8.817 2.174 -3.286
485 1HB GLU 62 1HB GLU 62 9.519 0.531 -4.909
486 2HB GLU 62 2HB GLU 62 7.885 -0.121 -5.024
487 1HG GLU 62 1HG GLU 62 7.074 1.763 -6.168
488 2HG GLU 62 2HG GLU 62 8.406 2.783 -5.626
489 H ALA 63 H ALA 63 5.971 0.064 -3.195
490 HA ALA 63 HA ALA 63 4.100 1.890 -4.233
491 1HB ALA 63 1HB ALA 63 3.567 -0.217 -2.128
492 2HB ALA 63 2HB ALA 63 3.708 -0.562 -3.852
493 3HB ALA 63 3HB ALA 63 2.408 0.475 -3.263
494 H TRP 64 H TRP 64 5.094 1.240 -0.872
495 HA TRP 64 HA TRP 64 3.374 3.010 0.422
496 1HB TRP 64 1HB TRP 64 4.895 1.380 1.564
497 2HB TRP 64 2HB TRP 64 6.246 2.459 1.207
498 HD1 TRP 64 HD1 TRP 64 6.474 4.659 2.593
499 HE1 TRP 64 HE1 TRP 64 5.264 5.577 4.675
500 HE3 TRP 64 HE3 TRP 64 2.522 1.428 2.820
501 HZ2 TRP 64 HZ2 TRP 64 2.935 5.015 6.235
502 HZ3 TRP 64 HZ3 TRP 64 0.824 1.643 4.614
503 HH2 TRP 64 HH2 TRP 64 1.026 3.432 6.320
504 H ASP 65 H ASP 65 6.627 3.610 -0.910
505 HA ASP 65 HA ASP 65 6.916 6.284 -0.200
506 1HB ASP 65 1HB ASP 65 7.795 5.109 -2.845
507 2HB ASP 65 2HB ASP 65 8.517 6.463 -1.981
508 H GLN 66 H GLN 66 5.222 4.847 -2.952
509 HA GLN 66 HA GLN 66 4.510 7.331 -4.179
510 1HB GLN 66 1HB GLN 66 4.565 5.038 -5.295
511 2HB GLN 66 2HB GLN 66 3.044 4.703 -4.470
512 1HG GLN 66 1HG GLN 66 2.346 5.540 -6.555
513 2HG GLN 66 2HG GLN 66 2.242 6.951 -5.503
514 1HE2 GLN 66 1HE2 GLN 66 4.280 5.407 -8.002
515 2HE2 GLN 66 2HE2 GLN 66 5.105 6.827 -8.431
516 H TYR 67 H TYR 67 2.827 5.037 -2.052
517 HA TYR 67 HA TYR 67 0.337 6.258 -1.893
518 1HB TYR 67 1HB TYR 67 0.684 4.106 -0.877
519 2HB TYR 67 2HB TYR 67 1.918 4.753 0.203
520 HD1 TYR 67 HD1 TYR 67 1.327 5.645 2.307
521 HD2 TYR 67 HD2 TYR 67 -1.701 5.067 -0.686
522 HE1 TYR 67 HE1 TYR 67 -0.424 6.207 3.969
523 HE2 TYR 67 HE2 TYR 67 -3.451 5.630 0.977
524 HH TYR 67 HH TYR 67 -3.842 6.439 3.032
525 H GLU 68 H GLU 68 3.138 6.744 0.270
526 HA GLU 68 HA GLU 68 2.076 8.774 1.850
527 1HB GLU 68 1HB GLU 68 4.860 8.001 1.049
528 2HB GLU 68 2HB GLU 68 4.606 9.499 1.945
529 1HG GLU 68 1HG GLU 68 3.661 6.748 2.812
530 2HG GLU 68 2HG GLU 68 5.051 7.608 3.473
531 H SER 69 H SER 69 3.963 9.065 -1.156
532 HA SER 69 HA SER 69 4.101 11.827 -1.353
533 1HB SER 69 1HB SER 69 5.349 10.702 -2.958
534 2HB SER 69 2HB SER 69 4.031 9.611 -3.371
535 HG SER 69 HG SER 69 4.706 11.747 -4.655
536 H GLU 70 H GLU 70 1.389 9.715 -1.886
537 HA GLU 70 HA GLU 70 -0.193 11.693 -3.281
538 1HB GLU 70 1HB GLU 70 -1.034 9.040 -2.096
539 2HB GLU 70 2HB GLU 70 -1.940 10.005 -3.262
540 1HG GLU 70 1HG GLU 70 0.823 9.464 -4.100
541 2HG GLU 70 2HG GLU 70 -0.139 8.004 -3.906
542 H VAL 71 H VAL 71 -0.478 10.054 -0.117
543 HA VAL 71 HA VAL 71 -2.523 11.939 0.721
544 HB VAL 71 HB VAL 71 -1.235 9.824 2.433
545 1HG1 VAL 71 1HG1 VAL 71 -4.016 11.038 2.292
546 2HG1 VAL 71 2HG1 VAL 71 -2.805 11.363 3.533
547 3HG1 VAL 71 3HG1 VAL 71 -3.528 9.760 3.403
548 1HG2 VAL 71 1HG2 VAL 71 -3.191 9.543 0.155
549 2HG2 VAL 71 2HG2 VAL 71 -3.233 8.419 1.513
550 3HG2 VAL 71 3HG2 VAL 71 -1.779 8.553 0.526
551 H HIS 72 H HIS 72 0.903 11.731 0.987
552 HA HIS 72 HA HIS 72 1.127 13.177 3.476
553 1HB HIS 72 1HB HIS 72 2.918 11.649 2.616
554 2HB HIS 72 2HB HIS 72 3.231 12.813 1.328
555 HD1 HIS 72 HD1 HIS 72 4.431 14.998 1.952
556 HD2 HIS 72 HD2 HIS 72 3.680 12.545 5.237
557 HE1 HIS 72 HE1 HIS 72 5.740 15.974 3.888
558 HE2 HIS 72 HE2 HIS 72 5.293 14.489 5.899
559 H GLY 73 H GLY 73 0.450 14.002 0.240
560 1HA GLY 73 2HA GLY 73 1.598 16.599 0.106
561 2HA GLY 73 1HA GLY 73 0.263 16.007 -0.879
562 H ARG 74 H ARG 74 -0.681 15.441 2.190
563 HA ARG 74 HA ARG 74 -2.496 17.693 2.224
564 1HB ARG 74 1HB ARG 74 -2.126 15.200 3.856
565 2HB ARG 74 2HB ARG 74 -3.119 16.513 4.485
566 1HG ARG 74 1HG ARG 74 -3.566 15.594 1.665
567 2HG ARG 74 2HG ARG 74 -4.204 14.619 2.988
568 1HD ARG 74 1HD ARG 74 -4.740 17.576 2.586
569 2HD ARG 74 2HD ARG 74 -5.864 16.281 2.188
570 HE ARG 74 HE ARG 74 -5.281 17.314 4.827
571 1HH1 ARG 74 1HH2 ARG 74 -6.385 14.604 2.964
572 2HH1 ARG 74 2HH2 ARG 74 -7.286 13.906 4.267
573 1HH2 ARG 74 1HH1 ARG 74 -6.461 16.396 6.531
574 2HH2 ARG 74 2HH1 ARG 74 -7.330 14.919 6.282
575 H LEU 75 H LEU 75 -2.747 19.098 4.074
576 HA LEU 75 HA LEU 75 -0.155 19.838 5.243
577 1HB LEU 75 1HB LEU 75 -2.703 21.296 4.655
578 2HB LEU 75 2HB LEU 75 -1.683 21.884 5.965
579 HG LEU 75 HG LEU 75 -1.141 22.975 3.799
580 1HD1 LEU 75 1HD1 LEU 75 0.588 22.254 5.672
581 2HD1 LEU 75 2HD1 LEU 75 1.152 22.946 4.153
582 3HD1 LEU 75 3HD1 LEU 75 1.200 21.200 4.397
583 1HD2 LEU 75 1HD2 LEU 75 -1.708 20.763 2.527
584 2HD2 LEU 75 2HD2 LEU 75 -0.031 20.334 2.859
585 3HD2 LEU 75 3HD2 LEU 75 -0.401 21.777 1.916
586 H GLU 76 H GLU 76 -0.575 17.779 6.556
587 HA GLU 76 HA GLU 76 -2.503 17.936 8.691
588 1HB GLU 76 1HB GLU 76 -0.113 16.095 8.517
589 2HB GLU 76 2HB GLU 76 -1.607 15.841 9.418
590 1HG GLU 76 1HG GLU 76 -2.863 15.820 7.263
591 2HG GLU 76 2HG GLU 76 -1.335 15.965 6.399
592 H HIS 77 H HIS 77 -0.097 19.916 8.282
593 HA HIS 77 HA HIS 77 1.178 21.246 9.643
594 1HB HIS 77 1HB HIS 77 -0.828 21.402 11.035
595 2HB HIS 77 2HB HIS 77 -0.408 19.895 11.845
596 HD1 HIS 77 HD1 HIS 77 1.092 23.358 11.282
597 HD2 HIS 77 HD2 HIS 77 1.215 20.251 14.059
598 HE1 HIS 77 HE1 HIS 77 2.503 24.182 13.218
599 HE2 HIS 77 HE2 HIS 77 2.587 22.298 14.920
600 H HIS 78 H HIS 78 2.963 21.205 11.208
601 HA HIS 78 HA HIS 78 3.985 18.651 12.097
602 1HB HIS 78 1HB HIS 78 6.202 19.229 10.753
603 2HB HIS 78 2HB HIS 78 4.912 18.279 10.018
604 HD1 HIS 78 HD1 HIS 78 5.443 22.047 10.451
605 HD2 HIS 78 HD2 HIS 78 4.496 19.274 7.484
606 HE1 HIS 78 HE1 HIS 78 5.073 23.371 8.324
607 HE2 HIS 78 HE2 HIS 78 4.494 21.696 6.506
608 H HIS 79 H HIS 79 5.636 18.853 13.613
609 HA HIS 79 HA HIS 79 6.867 21.431 14.117
610 1HB HIS 79 1HB HIS 79 6.083 21.403 16.539
611 2HB HIS 79 2HB HIS 79 4.878 21.867 15.342
612 HD1 HIS 79 HD1 HIS 79 5.723 18.250 15.561
613 HD2 HIS 79 HD2 HIS 79 2.845 20.825 17.130
614 HE1 HIS 79 HE1 HIS 79 3.905 16.783 16.540
615 HE2 HIS 79 HE2 HIS 79 2.143 18.339 17.499
616 H HIS 80 H HIS 80 8.543 21.325 15.737
617 HA HIS 80 HA HIS 80 10.378 20.361 16.715
618 1HB HIS 80 1HB HIS 80 8.598 17.938 17.078
619 2HB HIS 80 2HB HIS 80 10.068 18.315 17.975
620 HD1 HIS 80 HD1 HIS 80 6.445 19.102 17.788
621 HD2 HIS 80 HD2 HIS 80 9.799 20.560 19.789
622 HE1 HIS 80 HE1 HIS 80 5.580 20.602 19.636
623 HE2 HIS 80 HE2 HIS 80 7.614 21.498 20.866
624 H HIS 81 H HIS 81 11.510 17.906 16.698
625 HA HIS 81 HA HIS 81 11.417 16.563 14.184
626 1HB HIS 81 1HB HIS 81 12.473 18.621 13.379
627 2HB HIS 81 2HB HIS 81 13.712 18.493 14.627
628 HD1 HIS 81 HD1 HIS 81 12.315 16.077 12.005
629 HD2 HIS 81 HD2 HIS 81 15.972 17.382 13.524
630 HE1 HIS 81 HE1 HIS 81 14.109 14.808 10.745
631 HE2 HIS 81 HE2 HIS 81 16.344 15.594 11.659
632 H HIS 82 H HIS 82 13.946 17.526 16.520
633 HA HIS 82 HA HIS 82 14.158 14.746 17.430
634 1HB HIS 82 1HB HIS 82 15.788 14.823 15.648
635 2HB HIS 82 2HB HIS 82 16.447 16.341 16.255
636 HD1 HIS 82 HD1 HIS 82 15.978 12.743 17.439
637 HD2 HIS 82 HD2 HIS 82 18.517 15.990 18.060
638 HE1 HIS 82 HE1 HIS 82 17.821 11.929 18.974
639 HE2 HIS 82 HE2 HIS 82 19.377 13.898 19.362
Start of MODEL 3
1 1H MET 1 1HT MET 1 -5.647 10.805 5.734
2 2H MET 1 2HT MET 1 -6.161 10.608 4.127
3 3H MET 1 3HT MET 1 -4.728 11.453 4.466
4 HA MET 1 HA MET 1 -3.826 9.472 3.875
5 1HB MET 1 1HB MET 1 -3.361 10.034 6.323
6 2HB MET 1 2HB MET 1 -4.575 8.825 6.737
7 1HG MET 1 1HG MET 1 -3.284 7.131 5.435
8 2HG MET 1 2HG MET 1 -2.042 8.348 5.136
9 1HE MET 1 1HE MET 1 -1.027 6.012 6.013
10 2HE MET 1 2HE MET 1 -0.303 6.027 7.619
11 3HE MET 1 3HE MET 1 0.108 7.292 6.464
12 H LYS 2 H LYS 2 -5.503 8.747 2.401
13 HA LYS 2 HA LYS 2 -7.680 7.118 3.193
14 1HB LYS 2 1HB LYS 2 -7.754 6.444 0.807
15 2HB LYS 2 2HB LYS 2 -7.635 8.191 1.007
16 1HG LYS 2 1HG LYS 2 -5.023 6.830 0.858
17 2HG LYS 2 2HG LYS 2 -5.991 6.680 -0.607
18 1HD LYS 2 1HD LYS 2 -6.365 9.216 -0.429
19 2HD LYS 2 2HD LYS 2 -5.062 9.212 0.759
20 1HE LYS 2 1HE LYS 2 -4.902 8.320 -2.131
21 2HE LYS 2 2HE LYS 2 -4.079 9.694 -1.392
22 1HZ LYS 2 2HZ LYS 2 -3.183 7.807 0.180
23 2HZ LYS 2 2HZ LYS 2 -2.429 8.159 -1.302
24 3HZ LYS 2 3HZ LYS 2 -3.490 6.837 -1.178
25 H SER 3 H SER 3 -7.944 4.817 2.807
26 HA SER 3 HA SER 3 -5.951 3.252 4.020
27 1HB SER 3 1HB SER 3 -8.373 2.657 3.898
28 2HB SER 3 2HB SER 3 -8.157 2.284 2.191
29 HG SER 3 HG SER 3 -7.588 0.790 4.347
30 H PHE 4 H PHE 4 -4.318 2.006 3.246
31 HA PHE 4 HA PHE 4 -3.058 2.626 0.833
32 1HB PHE 4 1HB PHE 4 -2.019 1.503 2.842
33 2HB PHE 4 2HB PHE 4 -2.789 0.005 2.321
34 HD1 PHE 4 HD1 PHE 4 -2.131 -1.088 0.205
35 HD2 PHE 4 HD2 PHE 4 -0.151 2.455 1.616
36 HE1 PHE 4 HE1 PHE 4 -0.276 -1.485 -1.396
37 HE2 PHE 4 HE2 PHE 4 1.700 2.057 0.016
38 HZ PHE 4 HZ PHE 4 1.637 0.089 -1.491
39 H TYR 5 H TYR 5 -5.243 -0.047 1.645
40 HA TYR 5 HA TYR 5 -5.065 -1.479 -0.757
41 1HB TYR 5 1HB TYR 5 -6.148 -2.404 1.220
42 2HB TYR 5 2HB TYR 5 -7.410 -1.174 1.137
43 HD1 TYR 5 HD1 TYR 5 -9.378 -1.636 -0.040
44 HD2 TYR 5 HD2 TYR 5 -5.811 -3.845 -0.962
45 HE1 TYR 5 HE1 TYR 5 -10.665 -3.059 -1.608
46 HE2 TYR 5 HE2 TYR 5 -7.100 -5.270 -2.530
47 HH TYR 5 HH TYR 5 -10.311 -5.562 -2.530
48 H HIS 6 H HIS 6 -7.111 1.272 0.151
49 HA HIS 6 HA HIS 6 -8.701 1.277 -2.209
50 1HB HIS 6 1HB HIS 6 -8.012 3.544 -0.347
51 2HB HIS 6 2HB HIS 6 -9.286 3.564 -1.565
52 HD1 HIS 6 HD1 HIS 6 -9.588 0.277 -0.600
53 HD2 HIS 6 HD2 HIS 6 -10.411 3.812 1.450
54 HE1 HIS 6 HE1 HIS 6 -11.221 -0.326 1.238
55 HE2 HIS 6 HE2 HIS 6 -11.731 1.818 2.499
56 H TYR 7 H TYR 7 -5.829 3.186 -1.251
57 HA TYR 7 HA TYR 7 -5.601 4.697 -3.599
58 1HB TYR 7 1HB TYR 7 -4.190 5.237 -1.721
59 2HB TYR 7 2HB TYR 7 -3.481 3.623 -1.715
60 HD1 TYR 7 HD1 TYR 7 -3.661 6.841 -3.545
61 HD2 TYR 7 HD2 TYR 7 -1.746 3.003 -3.280
62 HE1 TYR 7 HE1 TYR 7 -1.913 7.604 -5.128
63 HE2 TYR 7 HE2 TYR 7 0.001 3.765 -4.865
64 HH TYR 7 HH TYR 7 0.121 7.116 -5.995
65 H LEU 8 H LEU 8 -4.282 1.548 -2.705
66 HA LEU 8 HA LEU 8 -2.999 0.916 -5.119
67 1HB LEU 8 1HB LEU 8 -3.110 -0.304 -2.745
68 2HB LEU 8 2HB LEU 8 -4.352 -1.245 -3.569
69 HG LEU 8 HG LEU 8 -2.697 -1.605 -5.452
70 1HD1 LEU 8 1HD1 LEU 8 -1.024 -0.015 -5.291
71 2HD1 LEU 8 2HD1 LEU 8 -0.244 -1.340 -4.428
72 3HD1 LEU 8 3HD1 LEU 8 -1.024 -0.039 -3.527
73 1HD2 LEU 8 1HD2 LEU 8 -2.058 -2.604 -2.660
74 2HD2 LEU 8 2HD2 LEU 8 -1.343 -3.281 -4.123
75 3HD2 LEU 8 3HD2 LEU 8 -3.084 -3.385 -3.863
76 H LEU 9 H LEU 9 -6.394 0.774 -4.124
77 HA LEU 9 HA LEU 9 -7.329 -0.938 -6.171
78 1HB LEU 9 1HB LEU 9 -8.501 0.766 -4.158
79 2HB LEU 9 2HB LEU 9 -9.384 0.913 -5.676
80 HG LEU 9 HG LEU 9 -8.631 -1.752 -4.448
81 1HD1 LEU 9 1HD1 LEU 9 -10.108 -0.565 -2.900
82 2HD1 LEU 9 2HD1 LEU 9 -11.005 -1.853 -3.705
83 3HD1 LEU 9 3HD1 LEU 9 -11.215 -0.177 -4.217
84 1HD2 LEU 9 1HD2 LEU 9 -10.691 -0.973 -6.544
85 2HD2 LEU 9 2HD2 LEU 9 -10.334 -2.611 -5.996
86 3HD2 LEU 9 3HD2 LEU 9 -9.123 -1.698 -6.893
87 H LYS 10 H LYS 10 -6.310 2.365 -6.247
88 HA LYS 10 HA LYS 10 -7.686 3.169 -8.614
89 1HB LYS 10 1HB LYS 10 -6.743 4.795 -7.034
90 2HB LYS 10 2HB LYS 10 -5.118 4.213 -7.392
91 1HG LYS 10 1HG LYS 10 -5.168 5.056 -9.596
92 2HG LYS 10 2HG LYS 10 -6.925 5.208 -9.593
93 1HD LYS 10 1HD LYS 10 -5.401 6.770 -7.552
94 2HD LYS 10 2HD LYS 10 -5.340 7.328 -9.223
95 1HE LYS 10 1HE LYS 10 -7.630 7.746 -9.312
96 2HE LYS 10 2HE LYS 10 -7.991 6.609 -8.013
97 1HZ LYS 10 2HZ LYS 10 -8.096 9.074 -7.473
98 2HZ LYS 10 2HZ LYS 10 -6.399 9.052 -7.536
99 3HZ LYS 10 3HZ LYS 10 -7.223 8.086 -6.406
100 H TYR 11 H TYR 11 -5.019 1.127 -8.028
101 HA TYR 11 HA TYR 11 -4.012 1.362 -10.770
102 1HB TYR 11 1HB TYR 11 -2.926 0.149 -8.235
103 2HB TYR 11 2HB TYR 11 -2.289 -0.328 -9.805
104 HD1 TYR 11 HD1 TYR 11 -1.656 1.625 -11.439
105 HD2 TYR 11 HD2 TYR 11 -2.075 2.076 -7.187
106 HE1 TYR 11 HE1 TYR 11 -0.299 3.696 -11.526
107 HE2 TYR 11 HE2 TYR 11 -0.715 4.147 -7.274
108 HH TYR 11 HH TYR 11 1.253 4.959 -9.601
109 H ARG 12 H ARG 12 -6.492 0.476 -10.673
110 HA ARG 12 HA ARG 12 -7.338 -2.023 -10.254
111 1HB ARG 12 1HB ARG 12 -7.696 -0.504 -12.849
112 2HB ARG 12 2HB ARG 12 -8.699 -1.842 -12.303
113 1HG ARG 12 1HG ARG 12 -8.305 0.630 -10.616
114 2HG ARG 12 2HG ARG 12 -9.574 0.522 -11.832
115 1HD ARG 12 1HD ARG 12 -9.226 -1.558 -9.670
116 2HD ARG 12 2HD ARG 12 -10.250 -0.142 -9.463
117 HE ARG 12 HE ARG 12 -10.965 -1.412 -11.875
118 1HH1 ARG 12 1HH2 ARG 12 -11.013 -1.920 -8.444
119 2HH1 ARG 12 2HH2 ARG 12 -12.418 -2.934 -8.480
120 1HH2 ARG 12 1HH1 ARG 12 -12.803 -2.737 -11.920
121 2HH2 ARG 12 2HH1 ARG 12 -13.427 -3.400 -10.447
122 H HIS 13 H HIS 13 -7.393 -4.010 -11.330
123 HA HIS 13 HA HIS 13 -4.887 -4.866 -12.372
124 1HB HIS 13 1HB HIS 13 -5.729 -6.745 -11.471
125 2HB HIS 13 2HB HIS 13 -7.361 -6.091 -11.468
126 HD1 HIS 13 HD1 HIS 13 -8.760 -7.825 -12.563
127 HD2 HIS 13 HD2 HIS 13 -5.221 -7.200 -14.677
128 HE1 HIS 13 HE1 HIS 13 -8.908 -9.246 -14.653
129 HE2 HIS 13 HE2 HIS 13 -6.763 -8.869 -15.954
130 HA PRO 14 HA PRO 14 -7.782 -5.484 -16.416
131 1HB PRO 14 1HB PRO 14 -8.914 -2.731 -15.992
132 2HB PRO 14 2HB PRO 14 -9.623 -4.117 -16.845
133 1HG PRO 14 1HG PRO 14 -10.364 -3.478 -14.366
134 2HG PRO 14 2HG PRO 14 -10.256 -5.162 -14.903
135 1HD PRO 14 1HD PRO 14 -8.512 -3.691 -13.020
136 2HD PRO 14 2HD PRO 14 -8.760 -5.440 -13.190
137 H LYS 15 H LYS 15 -6.105 -5.354 -17.758
138 HA LYS 15 HA LYS 15 -4.488 -4.530 -19.145
139 1HB LYS 15 1HB LYS 15 -5.931 -1.901 -18.727
140 2HB LYS 15 2HB LYS 15 -4.752 -2.242 -19.992
141 1HG LYS 15 1HG LYS 15 -6.178 -3.826 -21.047
142 2HG LYS 15 2HG LYS 15 -7.246 -3.915 -19.646
143 1HD LYS 15 1HD LYS 15 -6.856 -1.274 -21.021
144 2HD LYS 15 2HD LYS 15 -7.940 -2.465 -21.738
145 1HE LYS 15 1HE LYS 15 -9.321 -2.527 -19.783
146 2HE LYS 15 2HE LYS 15 -8.136 -1.625 -18.838
147 1HZ LYS 15 2HZ LYS 15 -8.478 0.183 -20.589
148 2HZ LYS 15 2HZ LYS 15 -9.700 -0.040 -19.431
149 3HZ LYS 15 3HZ LYS 15 -9.891 -0.657 -21.003
150 HA PRO 16 HA PRO 16 -2.155 -2.819 -15.472
151 1HB PRO 16 1HB PRO 16 -0.348 -4.879 -15.302
152 2HB PRO 16 2HB PRO 16 -1.884 -4.848 -14.418
153 1HG PRO 16 1HG PRO 16 -1.148 -6.327 -16.881
154 2HG PRO 16 2HG PRO 16 -2.216 -6.802 -15.551
155 1HD PRO 16 1HD PRO 16 -3.115 -5.892 -17.997
156 2HD PRO 16 2HD PRO 16 -4.051 -5.784 -16.496
157 H LYS 17 H LYS 17 0.339 -2.440 -15.447
158 HA LYS 17 HA LYS 17 1.549 -2.521 -18.114
159 1HB LYS 17 1HB LYS 17 0.792 -0.000 -16.655
160 2HB LYS 17 2HB LYS 17 2.156 -0.020 -17.770
161 1HG LYS 17 1HG LYS 17 0.631 0.372 -19.397
162 2HG LYS 17 2HG LYS 17 0.173 -1.319 -19.209
163 1HD LYS 17 1HD LYS 17 -1.508 -0.678 -17.517
164 2HD LYS 17 2HD LYS 17 -1.049 1.014 -17.700
165 1HE LYS 17 1HE LYS 17 -1.910 -0.608 -20.090
166 2HE LYS 17 2HE LYS 17 -3.106 0.146 -19.037
167 1HZ LYS 17 2HZ LYS 17 -1.612 1.339 -21.066
168 2HZ LYS 17 2HZ LYS 17 -1.091 2.016 -19.597
169 3HZ LYS 17 3HZ LYS 17 -2.735 2.071 -20.028
170 H ASP 18 H ASP 18 2.300 -0.536 -15.263
171 HA ASP 18 HA ASP 18 5.044 -1.434 -15.310
172 1HB ASP 18 1HB ASP 18 3.553 0.402 -13.424
173 2HB ASP 18 2HB ASP 18 5.292 0.117 -13.378
174 H SER 19 H SER 19 6.156 -2.171 -13.336
175 HA SER 19 HA SER 19 5.182 -4.590 -12.376
176 1HB SER 19 1HB SER 19 7.561 -3.893 -12.267
177 2HB SER 19 2HB SER 19 7.152 -2.758 -10.984
178 HG SER 19 HG SER 19 7.063 -5.582 -10.984
179 H ILE 20 H ILE 20 4.966 -1.352 -10.939
180 HA ILE 20 HA ILE 20 3.831 -2.129 -8.476
181 HB ILE 20 HB ILE 20 4.760 0.183 -9.242
182 1HG1 ILE 20 1HG1 ILE 20 2.201 0.282 -7.644
183 2HG1 ILE 20 2HG1 ILE 20 3.634 -0.533 -7.018
184 1HG2 ILE 20 1HG2 ILE 20 3.108 1.765 -10.025
185 2HG2 ILE 20 2HG2 ILE 20 1.822 0.568 -9.894
186 3HG2 ILE 20 3HG2 ILE 20 3.080 0.384 -11.119
187 1HD1 ILE 20 1HD1 ILE 20 4.942 1.554 -7.352
188 2HD1 ILE 20 2HD1 ILE 20 3.596 1.788 -6.237
189 3HD1 ILE 20 3HD1 ILE 20 3.474 2.365 -7.899
190 H SER 21 H SER 21 2.417 -1.414 -11.628
191 HA SER 21 HA SER 21 -0.305 -1.475 -10.839
192 1HB SER 21 1HB SER 21 0.772 -2.309 -13.540
193 2HB SER 21 2HB SER 21 -0.816 -1.646 -13.171
194 HG SER 21 HG SER 21 0.339 0.061 -13.880
195 H GLU 22 H GLU 22 1.893 -3.951 -12.123
196 HA GLU 22 HA GLU 22 0.098 -6.105 -12.223
197 1HB GLU 22 1HB GLU 22 3.070 -6.170 -11.631
198 2HB GLU 22 2HB GLU 22 2.093 -7.533 -12.177
199 1HG GLU 22 1HG GLU 22 1.808 -5.146 -13.869
200 2HG GLU 22 2HG GLU 22 3.450 -5.783 -13.834
201 H PHE 23 H PHE 23 2.092 -4.853 -9.580
202 HA PHE 23 HA PHE 23 1.644 -6.911 -7.713
203 1HB PHE 23 1HB PHE 23 3.306 -5.038 -7.463
204 2HB PHE 23 2HB PHE 23 1.960 -3.954 -7.117
205 HD1 PHE 23 HD1 PHE 23 4.001 -6.746 -5.862
206 HD2 PHE 23 HD2 PHE 23 0.641 -4.191 -5.055
207 HE1 PHE 23 HE1 PHE 23 4.016 -7.473 -3.489
208 HE2 PHE 23 HE2 PHE 23 0.657 -4.919 -2.685
209 HZ PHE 23 HZ PHE 23 2.344 -6.558 -1.902
210 H ALA 24 H ALA 24 -0.187 -4.021 -8.568
211 HA ALA 24 HA ALA 24 -2.156 -4.084 -6.584
212 1HB ALA 24 1HB ALA 24 -2.834 -3.335 -9.407
213 2HB ALA 24 2HB ALA 24 -1.673 -2.361 -8.506
214 3HB ALA 24 3HB ALA 24 -3.317 -2.559 -7.899
215 H ASN 25 H ASN 25 -2.035 -5.696 -9.760
216 HA ASN 25 HA ASN 25 -4.575 -6.874 -9.735
217 1HB ASN 25 1HB ASN 25 -2.063 -8.126 -10.877
218 2HB ASN 25 2HB ASN 25 -3.723 -8.449 -11.365
219 1HD2 ASN 25 1HD2 ASN 25 -4.227 -7.380 -13.304
220 2HD2 ASN 25 2HD2 ASN 25 -3.606 -5.869 -13.757
221 H GLN 26 H GLN 26 -1.512 -7.989 -8.342
222 HA GLN 26 HA GLN 26 -2.415 -10.539 -7.506
223 1HB GLN 26 1HB GLN 26 -0.031 -9.928 -7.645
224 2HB GLN 26 2HB GLN 26 -0.246 -8.802 -6.306
225 1HG GLN 26 1HG GLN 26 -0.638 -10.527 -4.751
226 2HG GLN 26 2HG GLN 26 -1.022 -11.700 -6.008
227 1HE2 GLN 26 1HE2 GLN 26 1.359 -10.977 -3.829
228 2HE2 GLN 26 2HE2 GLN 26 2.703 -11.592 -4.664
229 H ALA 27 H ALA 27 -2.096 -7.472 -5.710
230 HA ALA 27 HA ALA 27 -3.099 -8.353 -3.252
231 1HB ALA 27 1HB ALA 27 -1.987 -6.104 -3.880
232 2HB ALA 27 2HB ALA 27 -3.258 -6.086 -2.657
233 3HB ALA 27 3HB ALA 27 -3.617 -5.583 -4.309
234 H TYR 28 H TYR 28 -4.752 -7.438 -6.194
235 HA TYR 28 HA TYR 28 -7.339 -6.988 -5.188
236 1HB TYR 28 1HB TYR 28 -6.638 -6.478 -7.507
237 2HB TYR 28 2HB TYR 28 -6.549 -8.206 -7.847
238 HD1 TYR 28 HD1 TYR 28 -8.781 -5.358 -7.211
239 HD2 TYR 28 HD2 TYR 28 -8.581 -9.583 -7.958
240 HE1 TYR 28 HE1 TYR 28 -11.212 -5.388 -7.698
241 HE2 TYR 28 HE2 TYR 28 -11.010 -9.614 -8.443
242 HH TYR 28 HH TYR 28 -12.996 -6.686 -8.084
243 H GLU 29 H GLU 29 -5.555 -9.937 -5.789
244 HA GLU 29 HA GLU 29 -7.881 -11.649 -5.527
245 1HB GLU 29 1HB GLU 29 -5.017 -12.569 -5.465
246 2HB GLU 29 2HB GLU 29 -6.440 -13.413 -6.065
247 1HG GLU 29 1HG GLU 29 -6.642 -11.718 -7.883
248 2HG GLU 29 2HG GLU 29 -5.146 -10.980 -7.317
249 H ASP 30 H ASP 30 -6.145 -9.912 -3.357
250 HA ASP 30 HA ASP 30 -5.789 -11.900 -1.288
251 1HB ASP 30 1HB ASP 30 -4.500 -9.656 -1.651
252 2HB ASP 30 2HB ASP 30 -5.860 -8.937 -0.792
253 H HIS 31 H HIS 31 -6.745 -11.044 0.974
254 HA HIS 31 HA HIS 31 -9.344 -9.927 1.020
255 1HB HIS 31 1HB HIS 31 -10.549 -12.091 1.650
256 2HB HIS 31 2HB HIS 31 -10.173 -11.880 -0.059
257 HD1 HIS 31 HD1 HIS 31 -9.528 -14.126 -0.930
258 HD2 HIS 31 HD2 HIS 31 -7.838 -13.390 2.808
259 HE1 HIS 31 HE1 HIS 31 -8.025 -16.100 -0.423
260 HE2 HIS 31 HE2 HIS 31 -6.986 -15.666 1.854
261 H SER 32 H SER 32 -6.723 -10.082 2.429
262 HA SER 32 HA SER 32 -7.789 -10.451 5.153
263 1HB SER 32 1HB SER 32 -6.526 -12.408 4.962
264 2HB SER 32 2HB SER 32 -5.304 -11.638 3.957
265 HG SER 32 HG SER 32 -4.562 -10.537 5.751
266 H PHE 33 H PHE 33 -5.912 -8.663 2.895
267 HA PHE 33 HA PHE 33 -4.150 -7.187 4.399
268 1HB PHE 33 1HB PHE 33 -4.596 -7.063 1.889
269 2HB PHE 33 2HB PHE 33 -5.921 -5.969 2.276
270 HD1 PHE 33 HD1 PHE 33 -5.496 -3.735 3.190
271 HD2 PHE 33 HD2 PHE 33 -2.263 -6.407 2.255
272 HE1 PHE 33 HE1 PHE 33 -3.890 -1.852 3.359
273 HE2 PHE 33 HE2 PHE 33 -0.659 -4.524 2.425
274 HZ PHE 33 HZ PHE 33 -1.472 -2.248 2.976
275 HA PRO 34 HA PRO 34 -6.738 -5.042 7.298
276 1HB PRO 34 1HB PRO 34 -4.936 -3.097 8.036
277 2HB PRO 34 2HB PRO 34 -4.873 -4.771 8.617
278 1HG PRO 34 1HG PRO 34 -3.293 -3.455 6.466
279 2HG PRO 34 2HG PRO 34 -2.782 -4.635 7.687
280 1HD PRO 34 1HD PRO 34 -3.292 -5.328 5.101
281 2HD PRO 34 2HD PRO 34 -3.549 -6.441 6.462
282 H LYS 35 H LYS 35 -7.818 -4.430 5.038
283 HA LYS 35 HA LYS 35 -7.411 -1.950 3.824
284 1HB LYS 35 1HB LYS 35 -10.080 -2.219 3.522
285 2HB LYS 35 2HB LYS 35 -8.906 -3.131 2.575
286 1HG LYS 35 1HG LYS 35 -9.172 -5.072 3.888
287 2HG LYS 35 2HG LYS 35 -9.901 -4.179 5.222
288 1HD LYS 35 1HD LYS 35 -11.637 -5.419 4.037
289 2HD LYS 35 2HD LYS 35 -11.871 -3.691 3.777
290 1HE LYS 35 1HE LYS 35 -11.229 -3.796 1.553
291 2HE LYS 35 2HE LYS 35 -10.182 -5.192 1.813
292 1HZ LYS 35 2HZ LYS 35 -12.553 -6.225 2.428
293 2HZ LYS 35 2HZ LYS 35 -11.887 -6.279 0.866
294 3HZ LYS 35 3HZ LYS 35 -13.031 -5.086 1.265
295 H THR 36 H THR 36 -8.847 -2.715 6.885
296 HA THR 36 HA THR 36 -10.029 -0.040 7.142
297 HB THR 36 HB THR 36 -10.955 -0.915 9.263
298 HG1 THR 36 HG1 THR 36 -10.415 -2.867 9.971
299 1HG2 THR 36 1HG2 THR 36 -12.117 -1.250 7.063
300 2HG2 THR 36 2HG2 THR 36 -12.507 -2.482 8.264
301 3HG2 THR 36 3HG2 THR 36 -11.368 -2.844 6.966
302 H SER 37 H SER 37 -7.129 -0.313 7.003
303 HA SER 37 HA SER 37 -6.373 1.413 9.086
304 1HB SER 37 1HB SER 37 -6.644 -0.660 10.472
305 2HB SER 37 2HB SER 37 -5.397 -1.426 9.495
306 HG SER 37 HG SER 37 -4.928 1.085 10.672
307 H THR 38 H THR 38 -4.186 2.071 8.917
308 HA THR 38 HA THR 38 -2.591 0.809 6.804
309 HB THR 38 HB THR 38 -3.567 2.500 5.499
310 HG1 THR 38 HG1 THR 38 -1.350 3.845 6.623
311 1HG2 THR 38 1HG2 THR 38 -3.406 4.166 8.010
312 2HG2 THR 38 2HG2 THR 38 -4.830 3.753 7.056
313 3HG2 THR 38 3HG2 THR 38 -3.654 4.908 6.429
314 H ASP 39 H ASP 39 -0.887 0.213 7.922
315 HA ASP 39 HA ASP 39 0.653 2.249 9.347
316 1HB ASP 39 1HB ASP 39 -0.706 1.135 11.079
317 2HB ASP 39 2HB ASP 39 -0.088 -0.427 10.556
318 H TYR 40 H TYR 40 2.649 2.182 8.578
319 HA TYR 40 HA TYR 40 3.583 0.413 6.674
320 1HB TYR 40 1HB TYR 40 4.636 2.562 7.069
321 2HB TYR 40 2HB TYR 40 5.175 2.039 8.666
322 HD1 TYR 40 HD1 TYR 40 7.068 0.563 8.935
323 HD2 TYR 40 HD2 TYR 40 5.583 1.524 5.020
324 HE1 TYR 40 HE1 TYR 40 9.095 -0.437 7.918
325 HE2 TYR 40 HE2 TYR 40 7.612 0.527 4.004
326 HH TYR 40 HH TYR 40 10.130 0.132 4.944
327 H HIS 41 H HIS 41 4.443 0.396 10.144
328 HA HIS 41 HA HIS 41 6.031 -1.921 10.044
329 1HB HIS 41 1HB HIS 41 4.480 -1.328 12.520
330 2HB HIS 41 2HB HIS 41 6.180 -1.751 12.330
331 HD1 HIS 41 HD1 HIS 41 3.825 1.158 12.272
332 HD2 HIS 41 HD2 HIS 41 7.896 0.457 11.707
333 HE1 HIS 41 HE1 HIS 41 4.951 3.427 12.284
334 HE2 HIS 41 HE2 HIS 41 7.434 3.016 11.945
335 H GLU 42 H GLU 42 2.615 -1.573 11.024
336 HA GLU 42 HA GLU 42 2.143 -4.265 11.616
337 1HB GLU 42 1HB GLU 42 0.670 -2.065 11.892
338 2HB GLU 42 2HB GLU 42 -0.058 -2.665 10.402
339 1HG GLU 42 1HG GLU 42 -1.349 -3.724 12.044
340 2HG GLU 42 2HG GLU 42 -0.146 -4.955 11.666
341 H ILE 43 H ILE 43 1.491 -2.520 8.565
342 HA ILE 43 HA ILE 43 0.593 -4.849 7.201
343 HB ILE 43 HB ILE 43 1.299 -2.056 6.407
344 1HG1 ILE 43 1HG1 ILE 43 -1.082 -3.667 5.537
345 2HG1 ILE 43 2HG1 ILE 43 -0.984 -3.135 7.213
346 1HG2 ILE 43 1HG2 ILE 43 1.009 -4.395 4.497
347 2HG2 ILE 43 2HG2 ILE 43 2.379 -3.292 4.626
348 3HG2 ILE 43 3HG2 ILE 43 0.834 -2.709 4.010
349 1HD1 ILE 43 1HD1 ILE 43 -0.681 -1.260 4.853
350 2HD1 ILE 43 2HD1 ILE 43 -0.862 -0.823 6.551
351 3HD1 ILE 43 3HD1 ILE 43 -2.213 -1.546 5.680
352 H SER 44 H SER 44 3.743 -3.215 7.391
353 HA SER 44 HA SER 44 5.141 -4.684 5.472
354 1HB SER 44 1HB SER 44 6.034 -3.477 8.091
355 2HB SER 44 2HB SER 44 7.154 -4.284 7.000
356 HG SER 44 HG SER 44 6.773 -1.900 6.782
357 H SER 45 H SER 45 4.447 -5.439 8.862
358 HA SER 45 HA SER 45 5.943 -7.827 9.030
359 1HB SER 45 1HB SER 45 5.335 -7.019 11.111
360 2HB SER 45 2HB SER 45 3.713 -6.579 10.587
361 HG SER 45 HG SER 45 3.715 -8.437 11.918
362 H TYR 46 H TYR 46 2.543 -7.192 8.205
363 HA TYR 46 HA TYR 46 1.697 -9.861 7.983
364 1HB TYR 46 1HB TYR 46 0.114 -8.002 8.007
365 2HB TYR 46 2HB TYR 46 0.752 -7.407 6.475
366 HD1 TYR 46 HD1 TYR 46 -1.065 -10.219 8.093
367 HD2 TYR 46 HD2 TYR 46 0.113 -8.393 4.385
368 HE1 TYR 46 HE1 TYR 46 -2.608 -11.719 6.862
369 HE2 TYR 46 HE2 TYR 46 -1.430 -9.895 3.155
370 HH TYR 46 HH TYR 46 -3.479 -11.203 3.624
371 H LEU 47 H LEU 47 3.055 -7.657 5.542
372 HA LEU 47 HA LEU 47 2.950 -9.507 3.387
373 1HB LEU 47 1HB LEU 47 4.673 -7.063 3.858
374 2HB LEU 47 2HB LEU 47 4.624 -7.958 2.338
375 HG LEU 47 HG LEU 47 2.034 -7.046 3.546
376 1HD1 LEU 47 1HD1 LEU 47 2.257 -4.883 2.361
377 2HD1 LEU 47 2HD1 LEU 47 3.922 -5.288 1.950
378 3HD1 LEU 47 3HD1 LEU 47 3.465 -5.047 3.635
379 1HD2 LEU 47 1HD2 LEU 47 1.365 -6.966 1.206
380 2HD2 LEU 47 2HD2 LEU 47 2.170 -8.506 1.505
381 3HD2 LEU 47 3HD2 LEU 47 3.031 -7.205 0.683
382 H GLU 48 H GLU 48 5.445 -8.661 5.757
383 HA GLU 48 HA GLU 48 7.520 -10.255 4.684
384 1HB GLU 48 1HB GLU 48 6.963 -9.021 7.357
385 2HB GLU 48 2HB GLU 48 8.273 -10.191 7.208
386 1HG GLU 48 1HG GLU 48 8.107 -8.020 5.160
387 2HG GLU 48 2HG GLU 48 8.676 -7.587 6.770
388 H LEU 49 H LEU 49 5.082 -10.905 7.195
389 HA LEU 49 HA LEU 49 5.972 -13.531 7.800
390 1HB LEU 49 1HB LEU 49 3.259 -12.223 8.116
391 2HB LEU 49 2HB LEU 49 3.677 -13.805 8.772
392 HG LEU 49 HG LEU 49 5.495 -11.508 9.392
393 1HD1 LEU 49 1HD1 LEU 49 3.177 -10.649 9.783
394 2HD1 LEU 49 2HD1 LEU 49 4.106 -10.815 11.272
395 3HD1 LEU 49 3HD1 LEU 49 2.887 -12.017 10.856
396 1HD2 LEU 49 1HD2 LEU 49 5.658 -12.771 11.536
397 2HD2 LEU 49 2HD2 LEU 49 6.060 -13.771 10.140
398 3HD2 LEU 49 3HD2 LEU 49 4.484 -13.931 10.916
399 H ASN 50 H ASN 50 3.712 -12.214 5.438
400 HA ASN 50 HA ASN 50 2.665 -14.711 4.557
401 1HB ASN 50 1HB ASN 50 1.779 -12.290 4.155
402 2HB ASN 50 2HB ASN 50 2.876 -12.302 2.777
403 1HD2 ASN 50 1HD2 ASN 50 -0.290 -12.935 3.564
404 2HD2 ASN 50 2HD2 ASN 50 -0.649 -14.084 2.368
405 H ALA 51 H ALA 51 3.670 -16.251 3.426
406 HA ALA 51 HA ALA 51 6.331 -15.974 2.470
407 1HB ALA 51 1HB ALA 51 5.998 -18.229 1.541
408 2HB ALA 51 2HB ALA 51 4.268 -18.104 1.862
409 3HB ALA 51 3HB ALA 51 5.414 -18.131 3.202
410 H ASP 52 H ASP 52 3.186 -15.640 0.969
411 HA ASP 52 HA ASP 52 4.016 -15.801 -1.735
412 1HB ASP 52 1HB ASP 52 1.677 -14.189 -0.706
413 2HB ASP 52 2HB ASP 52 1.864 -14.939 -2.290
414 H TYR 53 H TYR 53 3.627 -13.042 0.480
415 HA TYR 53 HA TYR 53 4.626 -11.215 -1.576
416 1HB TYR 53 1HB TYR 53 3.660 -10.698 1.246
417 2HB TYR 53 2HB TYR 53 4.135 -9.454 0.088
418 HD1 TYR 53 HD1 TYR 53 1.678 -12.150 0.777
419 HD2 TYR 53 HD2 TYR 53 2.696 -8.821 -1.742
420 HE1 TYR 53 HE1 TYR 53 -0.591 -12.210 -0.220
421 HE2 TYR 53 HE2 TYR 53 0.425 -8.882 -2.736
422 HH TYR 53 HH TYR 53 -1.418 -10.330 -3.019
423 H LEU 54 H LEU 54 5.926 -13.181 0.820
424 HA LEU 54 HA LEU 54 7.936 -11.653 1.994
425 1HB LEU 54 1HB LEU 54 7.484 -13.949 2.688
426 2HB LEU 54 2HB LEU 54 8.024 -14.555 1.124
427 HG LEU 54 HG LEU 54 10.290 -13.701 1.551
428 1HD1 LEU 54 1HD1 LEU 54 8.939 -12.561 3.985
429 2HD1 LEU 54 2HD1 LEU 54 10.073 -11.786 2.879
430 3HD1 LEU 54 3HD1 LEU 54 10.653 -12.967 4.052
431 1HD2 LEU 54 1HD2 LEU 54 9.575 -15.974 2.384
432 2HD2 LEU 54 2HD2 LEU 54 9.280 -15.243 3.962
433 3HD2 LEU 54 3HD2 LEU 54 10.913 -15.269 3.292
434 H HIS 55 H HIS 55 7.676 -12.914 -1.257
435 HA HIS 55 HA HIS 55 10.443 -12.137 -1.875
436 1HB HIS 55 1HB HIS 55 9.457 -14.381 -2.571
437 2HB HIS 55 2HB HIS 55 8.477 -13.481 -3.728
438 HD1 HIS 55 HD1 HIS 55 11.468 -11.609 -3.549
439 HD2 HIS 55 HD2 HIS 55 10.481 -15.230 -5.366
440 HE1 HIS 55 HE1 HIS 55 13.216 -12.016 -5.334
441 HE2 HIS 55 HE2 HIS 55 12.634 -14.222 -6.443
442 H THR 56 H THR 56 8.529 -10.031 -1.365
443 HA THR 56 HA THR 56 8.799 -8.629 -3.922
444 HB THR 56 HB THR 56 6.439 -7.697 -3.621
445 HG1 THR 56 HG1 THR 56 6.395 -8.818 -1.452
446 1HG2 THR 56 1HG2 THR 56 5.499 -9.452 -4.938
447 2HG2 THR 56 2HG2 THR 56 6.595 -10.647 -4.246
448 3HG2 THR 56 3HG2 THR 56 7.218 -9.402 -5.329
449 H MET 57 H MET 57 9.874 -8.595 -1.086
450 HA MET 57 HA MET 57 9.001 -6.310 0.287
451 1HB MET 57 1HB MET 57 11.795 -7.475 0.089
452 2HB MET 57 2HB MET 57 11.271 -6.297 1.291
453 1HG MET 57 1HG MET 57 9.825 -8.924 0.939
454 2HG MET 57 2HG MET 57 11.242 -8.789 1.978
455 1HE MET 57 1HE MET 57 7.572 -7.581 1.292
456 2HE MET 57 2HE MET 57 7.014 -7.877 2.937
457 3HE MET 57 3HE MET 57 7.814 -9.164 2.041
458 H ALA 58 H ALA 58 11.129 -6.733 -2.460
459 HA ALA 58 HA ALA 58 12.242 -4.129 -2.547
460 1HB ALA 58 1HB ALA 58 12.971 -4.686 -4.752
461 2HB ALA 58 2HB ALA 58 11.719 -5.915 -4.927
462 3HB ALA 58 3HB ALA 58 13.056 -6.171 -3.805
463 H THR 59 H THR 59 9.409 -5.550 -4.152
464 HA THR 59 HA THR 59 8.693 -3.153 -5.536
465 HB THR 59 HB THR 59 6.920 -5.514 -4.876
466 HG1 THR 59 HG1 THR 59 8.912 -6.084 -5.905
467 1HG2 THR 59 1HG2 THR 59 5.653 -3.672 -5.759
468 2HG2 THR 59 2HG2 THR 59 5.886 -4.815 -7.083
469 3HG2 THR 59 3HG2 THR 59 6.870 -3.354 -6.996
470 H PHE 60 H PHE 60 7.677 -4.671 -2.503
471 HA PHE 60 HA PHE 60 5.524 -2.924 -1.947
472 1HB PHE 60 1HB PHE 60 5.663 -4.979 -0.726
473 2HB PHE 60 2HB PHE 60 7.284 -4.596 -0.145
474 HD1 PHE 60 HD1 PHE 60 7.483 -3.727 2.007
475 HD2 PHE 60 HD2 PHE 60 3.841 -3.078 -0.179
476 HE1 PHE 60 HE1 PHE 60 6.513 -2.565 3.968
477 HE2 PHE 60 HE2 PHE 60 2.870 -1.917 1.787
478 HZ PHE 60 HZ PHE 60 4.207 -1.661 3.861
479 H ASP 61 H ASP 61 8.922 -2.888 -0.853
480 HA ASP 61 HA ASP 61 8.837 -0.579 0.705
481 1HB ASP 61 1HB ASP 61 10.997 -1.931 -0.884
482 2HB ASP 61 2HB ASP 61 11.313 -0.373 -0.129
483 H GLU 62 H GLU 62 9.494 -0.936 -2.766
484 HA GLU 62 HA GLU 62 9.867 1.826 -3.293
485 1HB GLU 62 1HB GLU 62 10.630 -0.015 -4.792
486 2HB GLU 62 2HB GLU 62 8.947 -0.343 -5.198
487 1HG GLU 62 1HG GLU 62 9.953 1.087 -6.914
488 2HG GLU 62 2HG GLU 62 8.712 1.980 -6.039
489 H ALA 63 H ALA 63 7.025 -0.309 -3.551
490 HA ALA 63 HA ALA 63 5.262 1.568 -4.682
491 1HB ALA 63 1HB ALA 63 4.770 -0.820 -2.896
492 2HB ALA 63 2HB ALA 63 4.621 -0.737 -4.652
493 3HB ALA 63 3HB ALA 63 3.470 0.122 -3.627
494 H TRP 64 H TRP 64 5.861 0.735 -1.264
495 HA TRP 64 HA TRP 64 4.017 2.487 -0.101
496 1HB TRP 64 1HB TRP 64 5.260 0.765 1.174
497 2HB TRP 64 2HB TRP 64 6.740 1.705 0.980
498 HD1 TRP 64 HD1 TRP 64 7.075 3.802 2.485
499 HE1 TRP 64 HE1 TRP 64 5.762 4.805 4.463
500 HE3 TRP 64 HE3 TRP 64 2.759 1.089 2.152
501 HZ2 TRP 64 HZ2 TRP 64 3.221 4.499 5.738
502 HZ3 TRP 64 HZ3 TRP 64 0.912 1.466 3.759
503 HH2 TRP 64 HH2 TRP 64 1.137 3.166 5.551
504 H ASP 65 H ASP 65 7.402 3.010 -1.043
505 HA ASP 65 HA ASP 65 7.771 5.598 -0.113
506 1HB ASP 65 1HB ASP 65 9.453 4.044 -1.264
507 2HB ASP 65 2HB ASP 65 8.802 4.647 -2.786
508 H GLN 66 H GLN 66 6.247 4.485 -3.112
509 HA GLN 66 HA GLN 66 5.784 7.107 -4.171
510 1HB GLN 66 1HB GLN 66 4.350 4.523 -4.838
511 2HB GLN 66 2HB GLN 66 4.397 5.987 -5.820
512 1HG GLN 66 1HG GLN 66 7.071 5.505 -5.416
513 2HG GLN 66 2HG GLN 66 6.423 3.869 -5.506
514 1HE2 GLN 66 1HE2 GLN 66 7.496 6.475 -7.401
515 2HE2 GLN 66 2HE2 GLN 66 6.829 5.987 -8.883
516 H TYR 67 H TYR 67 3.795 4.737 -2.424
517 HA TYR 67 HA TYR 67 1.346 6.040 -2.450
518 1HB TYR 67 1HB TYR 67 1.452 3.836 -1.539
519 2HB TYR 67 2HB TYR 67 2.655 4.313 -0.343
520 HD1 TYR 67 HD1 TYR 67 -0.893 4.819 -1.380
521 HD2 TYR 67 HD2 TYR 67 2.013 5.215 1.761
522 HE1 TYR 67 HE1 TYR 67 -2.698 5.397 0.219
523 HE2 TYR 67 HE2 TYR 67 0.207 5.791 3.357
524 HH TYR 67 HH TYR 67 -2.981 6.538 2.326
525 H GLU 68 H GLU 68 3.857 6.256 0.071
526 HA GLU 68 HA GLU 68 2.704 8.266 1.619
527 1HB GLU 68 1HB GLU 68 4.826 6.803 2.021
528 2HB GLU 68 2HB GLU 68 5.676 8.122 1.219
529 1HG GLU 68 1HG GLU 68 5.661 8.472 3.650
530 2HG GLU 68 2HG GLU 68 4.717 9.723 2.845
531 H SER 69 H SER 69 4.800 8.544 -1.223
532 HA SER 69 HA SER 69 5.261 11.298 -1.133
533 1HB SER 69 1HB SER 69 6.158 11.060 -3.235
534 2HB SER 69 2HB SER 69 6.146 9.371 -2.737
535 HG SER 69 HG SER 69 4.046 9.250 -3.761
536 H GLU 70 H GLU 70 2.440 9.500 -2.192
537 HA GLU 70 HA GLU 70 1.213 11.807 -3.461
538 1HB GLU 70 1HB GLU 70 -0.066 9.166 -2.732
539 2HB GLU 70 2HB GLU 70 -0.643 10.340 -3.914
540 1HG GLU 70 1HG GLU 70 2.125 9.510 -4.403
541 2HG GLU 70 2HG GLU 70 0.989 8.165 -4.467
542 H VAL 71 H VAL 71 1.100 10.174 -0.361
543 HA VAL 71 HA VAL 71 -1.167 11.791 0.552
544 HB VAL 71 HB VAL 71 0.437 9.928 2.290
545 1HG1 VAL 71 1HG1 VAL 71 -2.538 10.489 2.195
546 2HG1 VAL 71 2HG1 VAL 71 -1.417 11.449 3.161
547 3HG1 VAL 71 3HG1 VAL 71 -1.622 9.730 3.498
548 1HG2 VAL 71 1HG2 VAL 71 -1.640 8.378 1.410
549 2HG2 VAL 71 2HG2 VAL 71 -0.002 8.290 0.762
550 3HG2 VAL 71 3HG2 VAL 71 -1.227 9.252 -0.064
551 H HIS 72 H HIS 72 2.203 11.895 0.425
552 HA HIS 72 HA HIS 72 2.737 13.361 2.825
553 1HB HIS 72 1HB HIS 72 4.511 12.074 1.853
554 2HB HIS 72 2HB HIS 72 4.311 12.861 0.290
555 HD1 HIS 72 HD1 HIS 72 5.223 13.804 3.875
556 HD2 HIS 72 HD2 HIS 72 5.934 15.085 -0.027
557 HE1 HIS 72 HE1 HIS 72 6.901 15.694 4.036
558 HE2 HIS 72 HE2 HIS 72 7.343 16.486 1.666
559 H GLY 73 H GLY 73 1.299 14.193 -0.126
560 1HA GLY 73 2HA GLY 73 2.244 16.902 -0.338
561 2HA GLY 73 1HA GLY 73 0.873 16.203 -1.193
562 H ARG 74 H ARG 74 0.164 15.345 1.792
563 HA ARG 74 HA ARG 74 -1.708 17.519 2.193
564 1HB ARG 74 1HB ARG 74 -1.212 14.844 3.460
565 2HB ARG 74 2HB ARG 74 -2.200 16.034 4.304
566 1HG ARG 74 1HG ARG 74 -3.704 16.208 2.387
567 2HG ARG 74 2HG ARG 74 -2.686 15.107 1.457
568 1HD ARG 74 1HD ARG 74 -3.077 13.380 3.274
569 2HD ARG 74 2HD ARG 74 -4.280 14.471 3.952
570 HE ARG 74 HE ARG 74 -4.546 12.883 1.536
571 1HH1 ARG 74 1HH2 ARG 74 -5.637 15.627 3.358
572 2HH1 ARG 74 2HH2 ARG 74 -7.206 15.659 2.624
573 1HH2 ARG 74 1HH1 ARG 74 -6.599 12.926 0.576
574 2HH2 ARG 74 2HH1 ARG 74 -7.749 14.134 1.048
575 H LEU 75 H LEU 75 -1.652 19.055 3.773
576 HA LEU 75 HA LEU 75 0.882 19.403 5.191
577 1HB LEU 75 1HB LEU 75 -1.473 21.166 4.581
578 2HB LEU 75 2HB LEU 75 -0.380 21.601 5.893
579 HG LEU 75 HG LEU 75 0.273 22.656 3.738
580 1HD1 LEU 75 1HD1 LEU 75 2.561 22.325 4.033
581 2HD1 LEU 75 2HD1 LEU 75 2.379 20.597 4.332
582 3HD1 LEU 75 3HD1 LEU 75 1.924 21.760 5.578
583 1HD2 LEU 75 1HD2 LEU 75 -0.563 20.602 2.400
584 2HD2 LEU 75 2HD2 LEU 75 1.011 19.894 2.765
585 3HD2 LEU 75 3HD2 LEU 75 0.912 21.393 1.843
586 H GLU 76 H GLU 76 -0.962 17.279 5.951
587 HA GLU 76 HA GLU 76 -1.102 17.862 8.799
588 1HB GLU 76 1HB GLU 76 -3.497 16.961 8.863
589 2HB GLU 76 2HB GLU 76 -3.295 18.601 8.251
590 1HG GLU 76 1HG GLU 76 -3.496 17.868 5.970
591 2HG GLU 76 2HG GLU 76 -3.391 16.173 6.441
592 H HIS 77 H HIS 77 0.700 16.238 7.830
593 HA HIS 77 HA HIS 77 0.082 13.595 7.212
594 1HB HIS 77 1HB HIS 77 2.354 14.595 7.087
595 2HB HIS 77 2HB HIS 77 2.437 14.575 8.847
596 HD1 HIS 77 HD1 HIS 77 0.641 11.633 8.113
597 HD2 HIS 77 HD2 HIS 77 4.663 12.664 7.738
598 HE1 HIS 77 HE1 HIS 77 1.930 9.457 8.001
599 HE2 HIS 77 HE2 HIS 77 4.384 10.068 7.771
600 H HIS 78 H HIS 78 1.279 14.607 10.415
601 HA HIS 78 HA HIS 78 -0.227 12.387 11.616
602 1HB HIS 78 1HB HIS 78 2.045 14.110 12.615
603 2HB HIS 78 2HB HIS 78 1.175 12.979 13.650
604 HD1 HIS 78 HD1 HIS 78 0.926 10.466 12.288
605 HD2 HIS 78 HD2 HIS 78 4.253 12.864 11.538
606 HE1 HIS 78 HE1 HIS 78 2.699 8.946 11.308
607 HE2 HIS 78 HE2 HIS 78 4.734 10.392 10.847
608 H HIS 79 H HIS 79 -1.101 12.854 13.857
609 HA HIS 79 HA HIS 79 -3.123 14.833 13.668
610 1HB HIS 79 1HB HIS 79 -3.653 14.186 15.999
611 2HB HIS 79 2HB HIS 79 -3.459 12.785 14.949
612 HD1 HIS 79 HD1 HIS 79 -2.098 14.380 17.979
613 HD2 HIS 79 HD2 HIS 79 -0.870 11.437 15.294
614 HE1 HIS 79 HE1 HIS 79 -0.191 13.144 19.094
615 HE2 HIS 79 HE2 HIS 79 0.569 11.346 17.471
616 H HIS 80 H HIS 80 0.136 14.972 14.739
617 HA HIS 80 HA HIS 80 0.049 16.951 16.713
618 1HB HIS 80 1HB HIS 80 2.126 16.306 14.615
619 2HB HIS 80 2HB HIS 80 2.375 17.538 15.854
620 HD1 HIS 80 HD1 HIS 80 3.235 16.721 18.059
621 HD2 HIS 80 HD2 HIS 80 1.496 13.648 15.845
622 HE1 HIS 80 HE1 HIS 80 3.604 14.589 19.379
623 HE2 HIS 80 HE2 HIS 80 2.548 12.706 18.042
624 H HIS 81 H HIS 81 -0.367 19.071 16.700
625 HA HIS 81 HA HIS 81 -0.156 20.637 14.248
626 1HB HIS 81 1HB HIS 81 -2.435 19.668 14.155
627 2HB HIS 81 2HB HIS 81 -2.785 20.377 15.730
628 HD1 HIS 81 HD1 HIS 81 -3.597 22.749 15.744
629 HD2 HIS 81 HD2 HIS 81 -1.824 21.736 12.110
630 HE1 HIS 81 HE1 HIS 81 -3.981 24.710 14.189
631 HE2 HIS 81 HE2 HIS 81 -2.907 24.108 11.969
632 H HIS 82 H HIS 82 -0.333 20.312 17.660
633 HA HIS 82 HA HIS 82 -0.792 22.900 18.555
634 1HB HIS 82 1HB HIS 82 -0.519 20.912 20.023
635 2HB HIS 82 2HB HIS 82 1.213 20.936 19.693
636 HD1 HIS 82 HD1 HIS 82 -1.431 22.617 21.688
637 HD2 HIS 82 HD2 HIS 82 2.587 23.250 20.780
638 HE1 HIS 82 HE1 HIS 82 -0.601 24.381 23.304
639 HE2 HIS 82 HE2 HIS 82 1.853 24.765 22.775
Start of MODEL 4
1 1H MET 1 1HT MET 1 -4.899 10.593 4.856
2 2H MET 1 2HT MET 1 -3.244 10.970 4.913
3 3H MET 1 3HT MET 1 -4.010 10.292 6.268
4 HA MET 1 HA MET 1 -2.954 9.013 3.906
5 1HB MET 1 1HB MET 1 -3.559 8.274 6.776
6 2HB MET 1 2HB MET 1 -3.013 7.075 5.603
7 1HG MET 1 1HG MET 1 -1.027 7.844 6.656
8 2HG MET 1 2HG MET 1 -1.071 8.683 5.106
9 1HE MET 1 1HE MET 1 -0.251 9.325 8.761
10 2HE MET 1 2HE MET 1 0.391 10.858 8.174
11 3HE MET 1 3HE MET 1 0.698 9.377 7.269
12 H LYS 2 H LYS 2 -4.451 8.617 2.344
13 HA LYS 2 HA LYS 2 -7.122 7.689 3.070
14 1HB LYS 2 1HB LYS 2 -7.596 7.840 0.666
15 2HB LYS 2 2HB LYS 2 -6.881 9.339 1.259
16 1HG LYS 2 1HG LYS 2 -4.638 7.946 0.531
17 2HG LYS 2 2HG LYS 2 -5.800 7.362 -0.659
18 1HD LYS 2 1HD LYS 2 -5.263 10.289 -0.069
19 2HD LYS 2 2HD LYS 2 -4.592 9.399 -1.436
20 1HE LYS 2 1HE LYS 2 -7.141 8.791 -1.868
21 2HE LYS 2 2HE LYS 2 -7.418 10.268 -0.945
22 1HZ LYS 2 2HZ LYS 2 -7.058 11.336 -2.842
23 2HZ LYS 2 2HZ LYS 2 -6.457 9.950 -3.616
24 3HZ LYS 2 3HZ LYS 2 -5.421 10.922 -2.684
25 H SER 3 H SER 3 -7.235 5.637 3.664
26 HA SER 3 HA SER 3 -6.273 3.410 3.816
27 1HB SER 3 1HB SER 3 -8.358 3.765 1.677
28 2HB SER 3 2HB SER 3 -7.790 2.172 2.169
29 HG SER 3 HG SER 3 -8.361 3.800 4.283
30 H PHE 4 H PHE 4 -4.223 2.902 3.273
31 HA PHE 4 HA PHE 4 -2.879 3.330 0.902
32 1HB PHE 4 1HB PHE 4 -1.781 2.520 2.949
33 2HB PHE 4 2HB PHE 4 -2.577 0.959 2.766
34 HD1 PHE 4 HD1 PHE 4 -1.822 -0.658 1.140
35 HD2 PHE 4 HD2 PHE 4 -0.077 3.266 1.293
36 HE1 PHE 4 HE1 PHE 4 -0.008 -1.406 -0.373
37 HE2 PHE 4 HE2 PHE 4 1.739 2.516 -0.221
38 HZ PHE 4 HZ PHE 4 1.773 0.179 -1.054
39 H TYR 5 H TYR 5 -5.184 0.805 1.693
40 HA TYR 5 HA TYR 5 -4.664 -0.903 -0.515
41 1HB TYR 5 1HB TYR 5 -5.982 -1.539 1.524
42 2HB TYR 5 2HB TYR 5 -7.295 -0.522 0.934
43 HD1 TYR 5 HD1 TYR 5 -5.216 -3.504 0.150
44 HD2 TYR 5 HD2 TYR 5 -8.736 -1.247 -0.836
45 HE1 TYR 5 HE1 TYR 5 -5.992 -5.349 -1.314
46 HE2 TYR 5 HE2 TYR 5 -9.512 -3.093 -2.298
47 HH TYR 5 HH TYR 5 -8.856 -5.900 -2.219
48 H HIS 6 H HIS 6 -6.963 1.765 -0.013
49 HA HIS 6 HA HIS 6 -8.191 1.571 -2.572
50 1HB HIS 6 1HB HIS 6 -7.960 3.973 -0.762
51 2HB HIS 6 2HB HIS 6 -9.078 3.790 -2.112
52 HD1 HIS 6 HD1 HIS 6 -8.863 0.566 -0.618
53 HD2 HIS 6 HD2 HIS 6 -10.868 4.076 0.398
54 HE1 HIS 6 HE1 HIS 6 -10.720 -0.105 0.968
55 HE2 HIS 6 HE2 HIS 6 -11.950 2.026 1.598
56 H TYR 7 H TYR 7 -5.389 3.359 -1.339
57 HA TYR 7 HA TYR 7 -4.983 5.048 -3.547
58 1HB TYR 7 1HB TYR 7 -3.648 5.299 -1.516
59 2HB TYR 7 2HB TYR 7 -2.945 3.697 -1.744
60 HD1 TYR 7 HD1 TYR 7 -1.262 3.283 -3.457
61 HD2 TYR 7 HD2 TYR 7 -3.033 7.169 -2.993
62 HE1 TYR 7 HE1 TYR 7 0.495 4.258 -4.910
63 HE2 TYR 7 HE2 TYR 7 -1.275 8.143 -4.445
64 HH TYR 7 HH TYR 7 0.581 6.456 -6.467
65 H LEU 8 H LEU 8 -3.862 1.783 -2.827
66 HA LEU 8 HA LEU 8 -2.521 1.251 -5.238
67 1HB LEU 8 1HB LEU 8 -2.720 -0.079 -2.933
68 2HB LEU 8 2HB LEU 8 -3.959 -0.952 -3.834
69 HG LEU 8 HG LEU 8 -2.210 -1.161 -5.712
70 1HD1 LEU 8 1HD1 LEU 8 -0.542 0.401 -5.091
71 2HD1 LEU 8 2HD1 LEU 8 0.166 -1.162 -4.682
72 3HD1 LEU 8 3HD1 LEU 8 -0.527 -0.150 -3.415
73 1HD2 LEU 8 1HD2 LEU 8 -1.096 -3.088 -4.539
74 2HD2 LEU 8 2HD2 LEU 8 -2.850 -3.076 -4.359
75 3HD2 LEU 8 3HD2 LEU 8 -1.824 -2.532 -3.032
76 H LEU 9 H LEU 9 -5.959 1.206 -4.397
77 HA LEU 9 HA LEU 9 -6.873 -0.454 -6.472
78 1HB LEU 9 1HB LEU 9 -8.113 1.633 -4.768
79 2HB LEU 9 2HB LEU 9 -8.949 1.243 -6.264
80 HG LEU 9 HG LEU 9 -8.051 -0.801 -4.212
81 1HD1 LEU 9 1HD1 LEU 9 -10.201 -0.812 -3.326
82 2HD1 LEU 9 2HD1 LEU 9 -10.919 -0.133 -4.787
83 3HD1 LEU 9 3HD1 LEU 9 -10.006 0.903 -3.689
84 1HD2 LEU 9 1HD2 LEU 9 -8.241 -2.086 -6.108
85 2HD2 LEU 9 2HD2 LEU 9 -9.295 -0.924 -6.916
86 3HD2 LEU 9 3HD2 LEU 9 -9.955 -2.018 -5.699
87 H LYS 10 H LYS 10 -5.612 2.756 -6.573
88 HA LYS 10 HA LYS 10 -6.796 3.623 -9.013
89 1HB LYS 10 1HB LYS 10 -5.725 5.207 -7.499
90 2HB LYS 10 2HB LYS 10 -4.179 4.381 -7.682
91 1HG LYS 10 1HG LYS 10 -4.088 4.972 -10.044
92 2HG LYS 10 2HG LYS 10 -5.699 5.684 -9.961
93 1HD LYS 10 1HD LYS 10 -4.011 7.453 -9.842
94 2HD LYS 10 2HD LYS 10 -4.854 7.335 -8.298
95 1HE LYS 10 1HE LYS 10 -3.010 6.526 -7.194
96 2HE LYS 10 2HE LYS 10 -2.415 5.655 -8.607
97 1HZ LYS 10 2HZ LYS 10 -0.927 7.396 -8.370
98 2HZ LYS 10 2HZ LYS 10 -2.133 8.517 -7.946
99 3HZ LYS 10 3HZ LYS 10 -1.993 7.979 -9.552
100 H TYR 11 H TYR 11 -4.332 1.374 -8.230
101 HA TYR 11 HA TYR 11 -3.278 1.290 -10.966
102 1HB TYR 11 1HB TYR 11 -2.365 0.199 -8.315
103 2HB TYR 11 2HB TYR 11 -1.783 -0.522 -9.812
104 HD1 TYR 11 HD1 TYR 11 -1.261 2.071 -7.449
105 HD2 TYR 11 HD2 TYR 11 -0.902 1.173 -11.634
106 HE1 TYR 11 HE1 TYR 11 0.366 3.922 -7.707
107 HE2 TYR 11 HE2 TYR 11 0.725 3.025 -11.891
108 HH TYR 11 HH TYR 11 2.437 4.245 -9.986
109 H ARG 12 H ARG 12 -5.901 0.621 -10.729
110 HA ARG 12 HA ARG 12 -6.887 -1.796 -10.165
111 1HB ARG 12 1HB ARG 12 -7.619 0.220 -11.913
112 2HB ARG 12 2HB ARG 12 -7.487 -1.189 -12.963
113 1HG ARG 12 1HG ARG 12 -9.698 -1.351 -12.204
114 2HG ARG 12 2HG ARG 12 -8.843 -2.406 -11.079
115 1HD ARG 12 1HD ARG 12 -10.407 -0.861 -9.916
116 2HD ARG 12 2HD ARG 12 -8.735 -0.617 -9.422
117 HE ARG 12 HE ARG 12 -9.275 1.135 -11.554
118 1HH1 ARG 12 1HH2 ARG 12 -10.233 0.544 -8.278
119 2HH1 ARG 12 2HH2 ARG 12 -10.594 2.204 -7.941
120 1HH2 ARG 12 1HH1 ARG 12 -9.746 3.311 -11.115
121 2HH2 ARG 12 2HH1 ARG 12 -10.320 3.768 -9.545
122 H HIS 13 H HIS 13 -6.961 -3.877 -11.000
123 HA HIS 13 HA HIS 13 -4.532 -4.881 -12.045
124 1HB HIS 13 1HB HIS 13 -5.353 -6.784 -11.202
125 2HB HIS 13 2HB HIS 13 -6.836 -5.930 -10.804
126 HD1 HIS 13 HD1 HIS 13 -8.887 -6.841 -11.884
127 HD2 HIS 13 HD2 HIS 13 -5.471 -7.790 -14.077
128 HE1 HIS 13 HE1 HIS 13 -9.650 -8.308 -13.802
129 HE2 HIS 13 HE2 HIS 13 -7.578 -8.896 -15.147
130 HA PRO 14 HA PRO 14 -7.477 -5.533 -16.032
131 1HB PRO 14 1HB PRO 14 -8.360 -2.668 -15.899
132 2HB PRO 14 2HB PRO 14 -9.207 -4.080 -16.563
133 1HG PRO 14 1HG PRO 14 -9.860 -3.074 -14.194
134 2HG PRO 14 2HG PRO 14 -9.876 -4.821 -14.494
135 1HD PRO 14 1HD PRO 14 -7.947 -3.210 -12.902
136 2HD PRO 14 2HD PRO 14 -8.417 -4.910 -12.716
137 H LYS 15 H LYS 15 -5.494 -5.698 -17.016
138 HA LYS 15 HA LYS 15 -3.836 -5.118 -18.485
139 1HB LYS 15 1HB LYS 15 -5.714 -3.543 -19.337
140 2HB LYS 15 2HB LYS 15 -4.808 -2.273 -18.515
141 1HG LYS 15 1HG LYS 15 -2.755 -3.343 -19.798
142 2HG LYS 15 2HG LYS 15 -4.015 -3.938 -20.878
143 1HD LYS 15 1HD LYS 15 -4.871 -1.594 -21.091
144 2HD LYS 15 2HD LYS 15 -3.498 -1.045 -20.129
145 1HE LYS 15 1HE LYS 15 -3.244 -2.605 -22.717
146 2HE LYS 15 2HE LYS 15 -3.118 -0.850 -22.602
147 1HZ LYS 15 2HZ LYS 15 -1.391 -2.819 -21.202
148 2HZ LYS 15 2HZ LYS 15 -1.281 -1.131 -21.046
149 3HZ LYS 15 3HZ LYS 15 -0.942 -1.872 -22.535
150 HA PRO 16 HA PRO 16 -1.502 -3.173 -14.991
151 1HB PRO 16 1HB PRO 16 0.223 -5.239 -14.571
152 2HB PRO 16 2HB PRO 16 -1.380 -5.161 -13.819
153 1HG PRO 16 1HG PRO 16 -0.462 -6.753 -16.150
154 2HG PRO 16 2HG PRO 16 -1.617 -7.174 -14.876
155 1HD PRO 16 1HD PRO 16 -2.331 -6.347 -17.427
156 2HD PRO 16 2HD PRO 16 -3.384 -6.238 -16.004
157 H LYS 17 H LYS 17 -0.004 -1.740 -15.684
158 HA LYS 17 HA LYS 17 1.552 -2.320 -18.086
159 1HB LYS 17 1HB LYS 17 1.253 0.215 -16.462
160 2HB LYS 17 2HB LYS 17 2.145 0.077 -17.980
161 1HG LYS 17 1HG LYS 17 0.162 -0.451 -19.208
162 2HG LYS 17 2HG LYS 17 -0.766 -0.705 -17.731
163 1HD LYS 17 1HD LYS 17 -0.534 1.681 -17.160
164 2HD LYS 17 2HD LYS 17 0.411 1.944 -18.628
165 1HE LYS 17 1HE LYS 17 -2.380 0.782 -18.699
166 2HE LYS 17 2HE LYS 17 -2.083 2.519 -18.766
167 1HZ LYS 17 2HZ LYS 17 -0.844 2.277 -20.745
168 2HZ LYS 17 2HZ LYS 17 -2.267 1.374 -20.966
169 3HZ LYS 17 3HZ LYS 17 -0.803 0.587 -20.612
170 H ASP 18 H ASP 18 2.585 -0.413 -15.286
171 HA ASP 18 HA ASP 18 5.262 -1.472 -15.505
172 1HB ASP 18 1HB ASP 18 4.058 0.447 -13.500
173 2HB ASP 18 2HB ASP 18 5.777 0.099 -13.678
174 H SER 19 H SER 19 6.450 -2.080 -13.471
175 HA SER 19 HA SER 19 5.542 -4.498 -12.452
176 1HB SER 19 1HB SER 19 7.652 -2.544 -11.630
177 2HB SER 19 2HB SER 19 7.267 -3.882 -10.553
178 HG SER 19 HG SER 19 8.728 -4.752 -11.879
179 H ILE 20 H ILE 20 5.245 -1.233 -11.098
180 HA ILE 20 HA ILE 20 4.210 -1.938 -8.582
181 HB ILE 20 HB ILE 20 4.995 0.365 -9.414
182 1HG1 ILE 20 1HG1 ILE 20 2.352 0.360 -7.935
183 2HG1 ILE 20 2HG1 ILE 20 3.853 -0.194 -7.193
184 1HG2 ILE 20 1HG2 ILE 20 2.084 0.611 -10.214
185 2HG2 ILE 20 2HG2 ILE 20 3.378 0.330 -11.378
186 3HG2 ILE 20 3HG2 ILE 20 3.362 1.809 -10.418
187 1HD1 ILE 20 1HD1 ILE 20 3.261 2.569 -8.285
188 2HD1 ILE 20 2HD1 ILE 20 4.873 2.039 -7.807
189 3HD1 ILE 20 3HD1 ILE 20 3.583 2.128 -6.609
190 H SER 21 H SER 21 2.608 -1.377 -11.694
191 HA SER 21 HA SER 21 -0.052 -1.599 -10.748
192 1HB SER 21 1HB SER 21 -0.695 -1.605 -12.994
193 2HB SER 21 2HB SER 21 0.847 -0.754 -13.046
194 HG SER 21 HG SER 21 1.808 -2.536 -13.852
195 H GLU 22 H GLU 22 2.275 -3.963 -11.991
196 HA GLU 22 HA GLU 22 0.591 -6.206 -12.118
197 1HB GLU 22 1HB GLU 22 3.526 -6.168 -11.370
198 2HB GLU 22 2HB GLU 22 2.625 -7.540 -12.011
199 1HG GLU 22 1HG GLU 22 2.380 -5.137 -13.677
200 2HG GLU 22 2HG GLU 22 4.044 -5.697 -13.523
201 H PHE 23 H PHE 23 2.468 -4.842 -9.446
202 HA PHE 23 HA PHE 23 1.975 -6.867 -7.547
203 1HB PHE 23 1HB PHE 23 3.646 -5.012 -7.295
204 2HB PHE 23 2HB PHE 23 2.306 -3.901 -7.018
205 HD1 PHE 23 HD1 PHE 23 4.292 -6.652 -5.619
206 HD2 PHE 23 HD2 PHE 23 0.894 -4.095 -5.000
207 HE1 PHE 23 HE1 PHE 23 4.230 -7.311 -3.230
208 HE2 PHE 23 HE2 PHE 23 0.833 -4.757 -2.611
209 HZ PHE 23 HZ PHE 23 2.500 -6.365 -1.726
210 H ALA 24 H ALA 24 0.172 -3.995 -8.522
211 HA ALA 24 HA ALA 24 -1.804 -3.939 -6.560
212 1HB ALA 24 1HB ALA 24 -1.332 -2.394 -8.658
213 2HB ALA 24 2HB ALA 24 -2.946 -2.492 -7.954
214 3HB ALA 24 3HB ALA 24 -2.560 -3.416 -9.406
215 H ASN 25 H ASN 25 -1.738 -5.764 -9.631
216 HA ASN 25 HA ASN 25 -4.271 -6.947 -9.446
217 1HB ASN 25 1HB ASN 25 -1.797 -8.283 -10.569
218 2HB ASN 25 2HB ASN 25 -3.472 -8.619 -10.994
219 1HD2 ASN 25 1HD2 ASN 25 -4.139 -7.595 -12.895
220 2HD2 ASN 25 2HD2 ASN 25 -3.471 -6.161 -13.507
221 H GLN 26 H GLN 26 -1.123 -8.142 -8.288
222 HA GLN 26 HA GLN 26 -2.095 -10.539 -7.142
223 1HB GLN 26 1HB GLN 26 0.362 -9.665 -7.629
224 2HB GLN 26 2HB GLN 26 0.260 -9.131 -5.952
225 1HG GLN 26 1HG GLN 26 1.171 -11.347 -5.903
226 2HG GLN 26 2HG GLN 26 -0.500 -11.480 -5.362
227 1HE2 GLN 26 1HE2 GLN 26 -0.151 -13.831 -6.124
228 2HE2 GLN 26 2HE2 GLN 26 -0.439 -14.167 -7.762
229 H ALA 27 H ALA 27 -1.522 -7.317 -5.770
230 HA ALA 27 HA ALA 27 -2.107 -7.871 -3.092
231 1HB ALA 27 1HB ALA 27 -2.659 -5.325 -4.635
232 2HB ALA 27 2HB ALA 27 -1.128 -5.749 -3.870
233 3HB ALA 27 3HB ALA 27 -2.561 -5.469 -2.880
234 H TYR 28 H TYR 28 -4.228 -7.371 -5.836
235 HA TYR 28 HA TYR 28 -6.636 -6.849 -4.480
236 1HB TYR 28 1HB TYR 28 -6.109 -6.783 -7.022
237 2HB TYR 28 2HB TYR 28 -6.514 -8.498 -6.997
238 HD1 TYR 28 HD1 TYR 28 -7.813 -5.109 -6.901
239 HD2 TYR 28 HD2 TYR 28 -8.781 -9.228 -6.152
240 HE1 TYR 28 HE1 TYR 28 -10.229 -4.548 -6.929
241 HE2 TYR 28 HE2 TYR 28 -11.195 -8.664 -6.179
242 HH TYR 28 HH TYR 28 -12.453 -6.032 -7.471
243 H GLU 29 H GLU 29 -5.069 -9.900 -5.385
244 HA GLU 29 HA GLU 29 -7.194 -11.488 -4.201
245 1HB GLU 29 1HB GLU 29 -4.573 -12.608 -5.135
246 2HB GLU 29 2HB GLU 29 -6.183 -13.316 -5.207
247 1HG GLU 29 1HG GLU 29 -6.722 -11.315 -6.803
248 2HG GLU 29 2HG GLU 29 -4.970 -11.215 -6.981
249 H ASP 30 H ASP 30 -5.848 -9.753 -2.353
250 HA ASP 30 HA ASP 30 -3.947 -11.331 -0.847
251 1HB ASP 30 1HB ASP 30 -3.937 -8.811 -0.935
252 2HB ASP 30 2HB ASP 30 -5.403 -8.833 0.044
253 H HIS 31 H HIS 31 -4.294 -12.013 1.361
254 HA HIS 31 HA HIS 31 -6.643 -13.532 1.713
255 1HB HIS 31 1HB HIS 31 -4.589 -14.204 2.789
256 2HB HIS 31 2HB HIS 31 -4.505 -12.686 3.680
257 HD1 HIS 31 HD1 HIS 31 -4.916 -13.378 6.060
258 HD2 HIS 31 HD2 HIS 31 -7.685 -15.079 3.447
259 HE1 HIS 31 HE1 HIS 31 -6.634 -14.553 7.502
260 HE2 HIS 31 HE2 HIS 31 -8.329 -15.594 5.924
261 H SER 32 H SER 32 -5.584 -11.084 4.062
262 HA SER 32 HA SER 32 -8.211 -9.797 3.976
263 1HB SER 32 1HB SER 32 -7.076 -10.918 6.549
264 2HB SER 32 2HB SER 32 -8.604 -10.065 6.351
265 HG SER 32 HG SER 32 -7.883 -12.666 5.672
266 H PHE 33 H PHE 33 -5.941 -8.680 3.042
267 HA PHE 33 HA PHE 33 -4.196 -7.326 4.664
268 1HB PHE 33 1HB PHE 33 -4.012 -7.161 2.271
269 2HB PHE 33 2HB PHE 33 -5.592 -6.395 2.148
270 HD1 PHE 33 HD1 PHE 33 -2.046 -5.899 2.822
271 HD2 PHE 33 HD2 PHE 33 -5.929 -4.076 3.065
272 HE1 PHE 33 HE1 PHE 33 -0.986 -3.676 3.103
273 HE2 PHE 33 HE2 PHE 33 -4.866 -1.854 3.345
274 HZ PHE 33 HZ PHE 33 -2.396 -1.654 3.365
275 HA PRO 34 HA PRO 34 -6.763 -4.767 7.221
276 1HB PRO 34 1HB PRO 34 -4.864 -2.917 7.966
277 2HB PRO 34 2HB PRO 34 -4.995 -4.540 8.665
278 1HG PRO 34 1HG PRO 34 -3.144 -3.527 6.566
279 2HG PRO 34 2HG PRO 34 -2.835 -4.654 7.899
280 1HD PRO 34 1HD PRO 34 -3.205 -5.497 5.336
281 2HD PRO 34 2HD PRO 34 -3.684 -6.474 6.742
282 H LYS 35 H LYS 35 -7.826 -4.151 5.066
283 HA LYS 35 HA LYS 35 -7.138 -1.860 3.607
284 1HB LYS 35 1HB LYS 35 -9.892 -2.981 4.188
285 2HB LYS 35 2HB LYS 35 -9.511 -1.816 2.921
286 1HG LYS 35 1HG LYS 35 -7.776 -3.575 2.120
287 2HG LYS 35 2HG LYS 35 -8.677 -4.708 3.127
288 1HD LYS 35 1HD LYS 35 -9.944 -2.974 0.986
289 2HD LYS 35 2HD LYS 35 -9.443 -4.645 0.729
290 1HE LYS 35 1HE LYS 35 -11.644 -5.006 1.329
291 2HE LYS 35 2HE LYS 35 -10.906 -5.036 2.929
292 1HZ LYS 35 2HZ LYS 35 -12.188 -3.336 3.473
293 2HZ LYS 35 2HZ LYS 35 -12.807 -3.229 1.893
294 3HZ LYS 35 3HZ LYS 35 -11.400 -2.377 2.319
295 H THR 36 H THR 36 -8.665 -2.232 6.713
296 HA THR 36 HA THR 36 -9.354 0.627 6.822
297 HB THR 36 HB THR 36 -10.646 0.059 8.802
298 HG1 THR 36 HG1 THR 36 -9.115 -2.238 8.608
299 1HG2 THR 36 1HG2 THR 36 -11.137 -2.127 6.772
300 2HG2 THR 36 2HG2 THR 36 -11.527 -0.436 6.452
301 3HG2 THR 36 3HG2 THR 36 -12.322 -1.289 7.775
302 H SER 37 H SER 37 -6.596 0.045 6.817
303 HA SER 37 HA SER 37 -5.694 1.507 9.031
304 1HB SER 37 1HB SER 37 -6.290 -1.016 9.884
305 2HB SER 37 2HB SER 37 -4.607 -1.214 9.413
306 HG SER 37 HG SER 37 -5.755 0.361 11.408
307 H THR 38 H THR 38 -3.701 2.268 8.581
308 HA THR 38 HA THR 38 -2.018 0.769 6.687
309 HB THR 38 HB THR 38 -2.905 2.288 5.170
310 HG1 THR 38 HG1 THR 38 -0.919 3.945 6.294
311 1HG2 THR 38 1HG2 THR 38 -3.282 4.731 5.840
312 2HG2 THR 38 2HG2 THR 38 -3.034 4.204 7.504
313 3HG2 THR 38 3HG2 THR 38 -4.371 3.545 6.560
314 H ASP 39 H ASP 39 -0.307 0.306 7.858
315 HA ASP 39 HA ASP 39 1.173 2.485 9.141
316 1HB ASP 39 1HB ASP 39 -0.071 1.581 10.991
317 2HB ASP 39 2HB ASP 39 0.309 -0.071 10.511
318 H TYR 40 H TYR 40 3.240 2.383 8.550
319 HA TYR 40 HA TYR 40 4.268 0.540 6.758
320 1HB TYR 40 1HB TYR 40 5.214 2.814 7.388
321 2HB TYR 40 2HB TYR 40 5.961 2.017 8.773
322 HD1 TYR 40 HD1 TYR 40 5.747 1.978 5.051
323 HD2 TYR 40 HD2 TYR 40 7.929 0.702 8.524
324 HE1 TYR 40 HE1 TYR 40 7.598 1.191 3.599
325 HE2 TYR 40 HE2 TYR 40 9.777 -0.086 7.072
326 HH TYR 40 HH TYR 40 9.500 -0.658 3.897
327 H HIS 41 H HIS 41 4.760 0.616 10.294
328 HA HIS 41 HA HIS 41 6.389 -1.678 10.427
329 1HB HIS 41 1HB HIS 41 4.603 -0.373 12.481
330 2HB HIS 41 2HB HIS 41 5.703 -1.700 12.848
331 HD1 HIS 41 HD1 HIS 41 8.073 -1.075 13.350
332 HD2 HIS 41 HD2 HIS 41 6.057 1.985 11.363
333 HE1 HIS 41 HE1 HIS 41 9.654 0.903 13.290
334 HE2 HIS 41 HE2 HIS 41 8.439 2.778 12.081
335 H GLU 42 H GLU 42 2.879 -1.369 11.075
336 HA GLU 42 HA GLU 42 2.447 -4.083 11.665
337 1HB GLU 42 1HB GLU 42 0.901 -1.992 11.957
338 2HB GLU 42 2HB GLU 42 0.325 -2.424 10.349
339 1HG GLU 42 1HG GLU 42 0.437 -4.359 12.682
340 2HG GLU 42 2HG GLU 42 -1.005 -3.457 12.221
341 H ILE 43 H ILE 43 1.869 -2.347 8.593
342 HA ILE 43 HA ILE 43 1.084 -4.690 7.196
343 HB ILE 43 HB ILE 43 1.911 -1.939 6.275
344 1HG1 ILE 43 1HG1 ILE 43 -0.748 -3.396 6.144
345 2HG1 ILE 43 2HG1 ILE 43 -0.282 -2.379 7.505
346 1HG2 ILE 43 1HG2 ILE 43 2.524 -3.431 4.467
347 2HG2 ILE 43 2HG2 ILE 43 0.986 -2.683 4.041
348 3HG2 ILE 43 3HG2 ILE 43 1.025 -4.340 4.643
349 1HD1 ILE 43 1HD1 ILE 43 -0.374 -1.423 4.627
350 2HD1 ILE 43 2HD1 ILE 43 -0.102 -0.434 6.063
351 3HD1 ILE 43 3HD1 ILE 43 -1.676 -1.184 5.792
352 H SER 44 H SER 44 4.224 -3.027 7.483
353 HA SER 44 HA SER 44 5.634 -4.407 5.514
354 1HB SER 44 1HB SER 44 7.658 -3.994 6.870
355 2HB SER 44 2HB SER 44 6.645 -2.560 6.751
356 HG SER 44 HG SER 44 7.144 -4.256 8.920
357 H SER 45 H SER 45 5.118 -5.327 8.921
358 HA SER 45 HA SER 45 6.526 -7.767 8.818
359 1HB SER 45 1HB SER 45 4.143 -7.312 10.595
360 2HB SER 45 2HB SER 45 5.622 -8.203 10.935
361 HG SER 45 HG SER 45 6.734 -6.251 10.990
362 H TYR 46 H TYR 46 3.158 -6.920 8.148
363 HA TYR 46 HA TYR 46 2.096 -9.509 7.935
364 1HB TYR 46 1HB TYR 46 0.798 -7.353 7.971
365 2HB TYR 46 2HB TYR 46 1.278 -7.104 6.293
366 HD1 TYR 46 HD1 TYR 46 -0.006 -8.031 4.562
367 HD2 TYR 46 HD2 TYR 46 -0.333 -9.646 8.531
368 HE1 TYR 46 HE1 TYR 46 -1.864 -9.493 3.813
369 HE2 TYR 46 HE2 TYR 46 -2.189 -11.109 7.780
370 HH TYR 46 HH TYR 46 -3.205 -11.978 5.903
371 H LEU 47 H LEU 47 3.525 -7.407 5.434
372 HA LEU 47 HA LEU 47 3.236 -9.325 3.332
373 1HB LEU 47 1HB LEU 47 5.017 -6.889 3.567
374 2HB LEU 47 2HB LEU 47 4.776 -7.819 2.088
375 HG LEU 47 HG LEU 47 2.499 -6.564 3.645
376 1HD1 LEU 47 1HD1 LEU 47 4.127 -5.499 1.327
377 2HD1 LEU 47 2HD1 LEU 47 3.847 -4.731 2.890
378 3HD1 LEU 47 3HD1 LEU 47 2.524 -4.885 1.733
379 1HD2 LEU 47 1HD2 LEU 47 1.644 -8.276 2.256
380 2HD2 LEU 47 2HD2 LEU 47 2.799 -7.931 0.969
381 3HD2 LEU 47 3HD2 LEU 47 1.463 -6.821 1.277
382 H GLU 48 H GLU 48 5.869 -8.420 5.519
383 HA GLU 48 HA GLU 48 7.884 -10.034 4.354
384 1HB GLU 48 1HB GLU 48 7.479 -8.840 7.086
385 2HB GLU 48 2HB GLU 48 8.842 -9.912 6.763
386 1HG GLU 48 1HG GLU 48 9.562 -8.463 4.912
387 2HG GLU 48 2HG GLU 48 8.186 -7.400 5.198
388 H LEU 49 H LEU 49 5.494 -10.638 6.890
389 HA LEU 49 HA LEU 49 6.410 -13.230 7.592
390 1HB LEU 49 1HB LEU 49 3.817 -11.746 7.946
391 2HB LEU 49 2HB LEU 49 3.939 -13.449 8.387
392 HG LEU 49 HG LEU 49 6.095 -11.612 9.346
393 1HD1 LEU 49 1HD1 LEU 49 4.384 -11.467 11.440
394 2HD1 LEU 49 2HD1 LEU 49 3.227 -11.433 10.110
395 3HD1 LEU 49 3HD1 LEU 49 4.497 -10.214 10.206
396 1HD2 LEU 49 1HD2 LEU 49 6.197 -13.171 11.157
397 2HD2 LEU 49 2HD2 LEU 49 5.968 -14.144 9.704
398 3HD2 LEU 49 3HD2 LEU 49 4.604 -13.826 10.777
399 H ASN 50 H ASN 50 4.205 -12.016 5.128
400 HA ASN 50 HA ASN 50 3.141 -14.534 4.326
401 1HB ASN 50 1HB ASN 50 3.365 -11.836 3.005
402 2HB ASN 50 2HB ASN 50 2.741 -13.227 2.122
403 1HD2 ASN 50 1HD2 ASN 50 1.496 -10.632 3.486
404 2HD2 ASN 50 2HD2 ASN 50 0.127 -11.267 4.260
405 H ALA 51 H ALA 51 4.146 -16.146 3.312
406 HA ALA 51 HA ALA 51 6.858 -15.981 2.477
407 1HB ALA 51 1HB ALA 51 6.656 -18.271 1.905
408 2HB ALA 51 2HB ALA 51 4.915 -18.138 1.658
409 3HB ALA 51 3HB ALA 51 5.584 -18.046 3.288
410 H ASP 52 H ASP 52 3.779 -15.923 0.743
411 HA ASP 52 HA ASP 52 4.848 -16.098 -1.876
412 1HB ASP 52 1HB ASP 52 2.252 -14.971 -0.821
413 2HB ASP 52 2HB ASP 52 2.627 -15.090 -2.539
414 H TYR 53 H TYR 53 4.183 -13.365 0.262
415 HA TYR 53 HA TYR 53 5.027 -11.463 -1.802
416 1HB TYR 53 1HB TYR 53 3.809 -11.156 0.941
417 2HB TYR 53 2HB TYR 53 4.456 -9.783 0.045
418 HD1 TYR 53 HD1 TYR 53 2.066 -12.649 -0.262
419 HD2 TYR 53 HD2 TYR 53 3.156 -8.715 -1.609
420 HE1 TYR 53 HE1 TYR 53 -0.028 -12.518 -1.582
421 HE2 TYR 53 HE2 TYR 53 1.060 -8.586 -2.928
422 HH TYR 53 HH TYR 53 -1.096 -9.564 -3.050
423 H LEU 54 H LEU 54 6.439 -13.287 0.649
424 HA LEU 54 HA LEU 54 8.258 -11.619 1.900
425 1HB LEU 54 1HB LEU 54 8.045 -13.960 2.513
426 2HB LEU 54 2HB LEU 54 8.652 -14.463 0.938
427 HG LEU 54 HG LEU 54 10.825 -13.455 1.406
428 1HD1 LEU 54 1HD1 LEU 54 9.339 -12.349 3.759
429 2HD1 LEU 54 2HD1 LEU 54 10.528 -11.567 2.719
430 3HD1 LEU 54 3HD1 LEU 54 11.052 -12.711 3.953
431 1HD2 LEU 54 1HD2 LEU 54 11.528 -14.916 3.252
432 2HD2 LEU 54 2HD2 LEU 54 10.378 -15.761 2.215
433 3HD2 LEU 54 3HD2 LEU 54 9.850 -15.100 3.762
434 H HIS 55 H HIS 55 8.555 -13.199 -1.269
435 HA HIS 55 HA HIS 55 11.098 -11.851 -1.776
436 1HB HIS 55 1HB HIS 55 9.493 -13.728 -3.532
437 2HB HIS 55 2HB HIS 55 11.141 -13.175 -3.833
438 HD1 HIS 55 HD1 HIS 55 12.944 -13.868 -1.928
439 HD2 HIS 55 HD2 HIS 55 9.336 -15.956 -1.875
440 HE1 HIS 55 HE1 HIS 55 13.335 -15.938 -0.522
441 HE2 HIS 55 HE2 HIS 55 11.144 -17.221 -0.479
442 H THR 56 H THR 56 8.686 -10.244 -1.473
443 HA THR 56 HA THR 56 8.855 -8.789 -4.010
444 HB THR 56 HB THR 56 6.116 -9.116 -2.868
445 HG1 THR 56 HG1 THR 56 6.963 -11.240 -3.039
446 1HG2 THR 56 1HG2 THR 56 7.085 -9.057 -5.732
447 2HG2 THR 56 2HG2 THR 56 6.764 -7.594 -4.802
448 3HG2 THR 56 3HG2 THR 56 5.458 -8.729 -5.135
449 H MET 57 H MET 57 9.604 -8.548 -1.057
450 HA MET 57 HA MET 57 8.029 -6.461 0.070
451 1HB MET 57 1HB MET 57 10.739 -7.619 0.629
452 2HB MET 57 2HB MET 57 10.250 -6.123 1.421
453 1HG MET 57 1HG MET 57 8.716 -8.740 1.492
454 2HG MET 57 2HG MET 57 9.674 -8.074 2.813
455 1HE MET 57 1HE MET 57 7.955 -5.084 4.090
456 2HE MET 57 2HE MET 57 8.786 -4.746 2.573
457 3HE MET 57 3HE MET 57 9.477 -5.902 3.709
458 H ALA 58 H ALA 58 10.870 -6.516 -2.012
459 HA ALA 58 HA ALA 58 11.673 -3.843 -1.801
460 1HB ALA 58 1HB ALA 58 11.759 -5.450 -4.357
461 2HB ALA 58 2HB ALA 58 12.862 -5.742 -3.012
462 3HB ALA 58 3HB ALA 58 12.866 -4.181 -3.835
463 H THR 59 H THR 59 9.082 -5.328 -3.659
464 HA THR 59 HA THR 59 8.507 -3.027 -5.264
465 HB THR 59 HB THR 59 6.703 -5.355 -4.556
466 HG1 THR 59 HG1 THR 59 8.366 -6.267 -5.559
467 1HG2 THR 59 1HG2 THR 59 5.820 -4.698 -6.912
468 2HG2 THR 59 2HG2 THR 59 6.622 -3.157 -6.614
469 3HG2 THR 59 3HG2 THR 59 5.340 -3.704 -5.535
470 H PHE 60 H PHE 60 7.222 -4.344 -2.230
471 HA PHE 60 HA PHE 60 5.112 -2.481 -1.914
472 1HB PHE 60 1HB PHE 60 5.129 -4.509 -0.597
473 2HB PHE 60 2HB PHE 60 6.680 -4.081 0.125
474 HD1 PHE 60 HD1 PHE 60 6.762 -2.805 2.103
475 HD2 PHE 60 HD2 PHE 60 3.156 -2.864 -0.234
476 HE1 PHE 60 HE1 PHE 60 5.590 -1.535 3.880
477 HE2 PHE 60 HE2 PHE 60 1.984 -1.594 1.546
478 HZ PHE 60 HZ PHE 60 3.201 -0.930 3.602
479 H ASP 61 H ASP 61 8.424 -2.550 -0.593
480 HA ASP 61 HA ASP 61 8.388 -0.206 0.885
481 1HB ASP 61 1HB ASP 61 10.267 -1.985 0.524
482 2HB ASP 61 2HB ASP 61 10.786 -0.918 -0.779
483 H GLU 62 H GLU 62 9.045 -0.637 -2.581
484 HA GLU 62 HA GLU 62 9.615 2.075 -3.162
485 1HB GLU 62 1HB GLU 62 10.195 0.267 -4.704
486 2HB GLU 62 2HB GLU 62 8.488 -0.102 -4.944
487 1HG GLU 62 1HG GLU 62 8.090 1.871 -6.141
488 2HG GLU 62 2HG GLU 62 9.505 2.680 -5.469
489 H ALA 63 H ALA 63 6.591 0.215 -3.158
490 HA ALA 63 HA ALA 63 4.925 2.191 -4.281
491 1HB ALA 63 1HB ALA 63 3.075 0.968 -3.167
492 2HB ALA 63 2HB ALA 63 4.264 0.029 -2.264
493 3HB ALA 63 3HB ALA 63 4.174 -0.118 -4.018
494 H TRP 64 H TRP 64 5.749 1.469 -0.895
495 HA TRP 64 HA TRP 64 4.161 3.395 0.346
496 1HB TRP 64 1HB TRP 64 5.533 1.584 1.476
497 2HB TRP 64 2HB TRP 64 6.938 2.635 1.269
498 HD1 TRP 64 HD1 TRP 64 7.150 4.723 2.798
499 HE1 TRP 64 HE1 TRP 64 5.817 5.592 4.825
500 HE3 TRP 64 HE3 TRP 64 3.054 1.688 2.528
501 HZ2 TRP 64 HZ2 TRP 64 3.345 5.066 6.161
502 HZ3 TRP 64 HZ3 TRP 64 1.227 1.890 4.189
503 HH2 TRP 64 HH2 TRP 64 1.367 3.573 6.005
504 H ASP 65 H ASP 65 7.509 3.680 -0.861
505 HA ASP 65 HA ASP 65 8.053 6.294 -0.103
506 1HB ASP 65 1HB ASP 65 8.930 4.651 -2.470
507 2HB ASP 65 2HB ASP 65 9.473 6.318 -2.269
508 H GLN 66 H GLN 66 6.288 5.108 -2.935
509 HA GLN 66 HA GLN 66 5.905 7.704 -4.093
510 1HB GLN 66 1HB GLN 66 4.596 5.018 -4.546
511 2HB GLN 66 2HB GLN 66 4.118 6.465 -5.431
512 1HG GLN 66 1HG GLN 66 7.028 5.756 -5.298
513 2HG GLN 66 2HG GLN 66 5.988 4.854 -6.398
514 1HE2 GLN 66 1HE2 GLN 66 4.956 6.051 -8.171
515 2HE2 GLN 66 2HE2 GLN 66 5.524 7.584 -8.630
516 H TYR 67 H TYR 67 3.966 5.550 -2.060
517 HA TYR 67 HA TYR 67 1.557 6.921 -2.011
518 1HB TYR 67 1HB TYR 67 1.891 4.722 -0.970
519 2HB TYR 67 2HB TYR 67 2.904 5.456 0.273
520 HD1 TYR 67 HD1 TYR 67 -0.494 5.874 -1.274
521 HD2 TYR 67 HD2 TYR 67 1.905 6.094 2.282
522 HE1 TYR 67 HE1 TYR 67 -2.514 6.415 0.056
523 HE2 TYR 67 HE2 TYR 67 -0.116 6.633 3.613
524 HH TYR 67 HH TYR 67 -2.930 7.684 2.334
525 H GLU 68 H GLU 68 4.216 7.265 0.367
526 HA GLU 68 HA GLU 68 3.123 9.407 1.787
527 1HB GLU 68 1HB GLU 68 5.479 9.887 2.482
528 2HB GLU 68 2HB GLU 68 5.006 8.200 2.679
529 1HG GLU 68 1HG GLU 68 6.024 7.782 0.379
530 2HG GLU 68 2HG GLU 68 6.710 9.399 0.485
531 H SER 69 H SER 69 5.393 9.495 -0.967
532 HA SER 69 HA SER 69 5.782 12.234 -1.130
533 1HB SER 69 1HB SER 69 6.564 11.888 -3.312
534 2HB SER 69 2HB SER 69 6.824 10.331 -2.532
535 HG SER 69 HG SER 69 5.507 10.746 -4.710
536 H GLU 70 H GLU 70 2.973 10.369 -2.006
537 HA GLU 70 HA GLU 70 1.751 12.492 -3.548
538 1HB GLU 70 1HB GLU 70 0.512 9.939 -2.502
539 2HB GLU 70 2HB GLU 70 -0.128 10.982 -3.771
540 1HG GLU 70 1HG GLU 70 2.631 10.180 -4.293
541 2HG GLU 70 2HG GLU 70 1.556 8.794 -4.144
542 H VAL 71 H VAL 71 0.893 10.844 -0.491
543 HA VAL 71 HA VAL 71 -1.035 12.926 0.136
544 HB VAL 71 HB VAL 71 -0.232 10.599 1.875
545 1HG1 VAL 71 1HG1 VAL 71 -2.730 10.804 2.431
546 2HG1 VAL 71 2HG1 VAL 71 -2.683 12.351 1.585
547 3HG1 VAL 71 3HG1 VAL 71 -1.690 12.099 3.021
548 1HG2 VAL 71 1HG2 VAL 71 -0.700 9.647 -0.294
549 2HG2 VAL 71 2HG2 VAL 71 -2.113 10.681 -0.504
550 3HG2 VAL 71 3HG2 VAL 71 -2.131 9.397 0.705
551 H HIS 72 H HIS 72 2.275 12.309 0.912
552 HA HIS 72 HA HIS 72 2.229 13.674 3.461
553 1HB HIS 72 1HB HIS 72 3.928 11.894 2.741
554 2HB HIS 72 2HB HIS 72 4.683 13.165 1.777
555 HD1 HIS 72 HD1 HIS 72 3.774 12.362 5.374
556 HD2 HIS 72 HD2 HIS 72 6.251 14.952 3.244
557 HE1 HIS 72 HE1 HIS 72 5.228 13.532 7.086
558 HE2 HIS 72 HE2 HIS 72 6.745 15.114 5.804
559 H GLY 73 H GLY 73 2.290 14.619 0.185
560 1HA GLY 73 2HA GLY 73 3.715 17.106 0.534
561 2HA GLY 73 1HA GLY 73 2.807 16.610 -0.890
562 H ARG 74 H ARG 74 0.584 16.027 1.269
563 HA ARG 74 HA ARG 74 -0.772 18.559 0.882
564 1HB ARG 74 1HB ARG 74 -1.515 15.862 1.955
565 2HB ARG 74 2HB ARG 74 -2.525 17.249 2.358
566 1HG ARG 74 1HG ARG 74 -2.900 17.743 0.021
567 2HG ARG 74 2HG ARG 74 -1.727 16.525 -0.475
568 1HD ARG 74 1HD ARG 74 -3.129 14.745 0.420
569 2HD ARG 74 2HD ARG 74 -4.264 15.925 1.072
570 HE ARG 74 HE ARG 74 -3.912 16.231 -1.758
571 1HH1 ARG 74 1HH2 ARG 74 -5.480 14.367 0.711
572 2HH1 ARG 74 2HH2 ARG 74 -6.815 13.914 -0.296
573 1HH2 ARG 74 1HH1 ARG 74 -5.659 15.637 -3.070
574 2HH2 ARG 74 2HH1 ARG 74 -6.917 14.634 -2.431
575 H LEU 75 H LEU 75 -2.008 19.471 2.823
576 HA LEU 75 HA LEU 75 -0.069 20.108 4.884
577 1HB LEU 75 1HB LEU 75 -2.819 21.101 4.164
578 2HB LEU 75 2HB LEU 75 -2.108 21.510 5.724
579 HG LEU 75 HG LEU 75 -1.657 23.240 3.989
580 1HD1 LEU 75 1HD1 LEU 75 0.513 23.634 4.712
581 2HD1 LEU 75 2HD1 LEU 75 0.985 21.942 4.558
582 3HD1 LEU 75 3HD1 LEU 75 -0.017 22.457 5.914
583 1HD2 LEU 75 1HD2 LEU 75 -1.510 21.456 2.130
584 2HD2 LEU 75 2HD2 LEU 75 0.148 21.201 2.674
585 3HD2 LEU 75 3HD2 LEU 75 -0.345 22.780 2.063
586 H GLU 76 H GLU 76 -0.565 17.459 5.062
587 HA GLU 76 HA GLU 76 -2.536 17.082 7.211
588 1HB GLU 76 1HB GLU 76 -1.791 14.593 6.802
589 2HB GLU 76 2HB GLU 76 -2.896 15.380 5.682
590 1HG GLU 76 1HG GLU 76 -1.171 14.245 4.404
591 2HG GLU 76 2HG GLU 76 -0.939 15.981 4.240
592 H HIS 77 H HIS 77 -0.349 18.568 7.965
593 HA HIS 77 HA HIS 77 1.890 17.289 8.968
594 1HB HIS 77 1HB HIS 77 1.644 19.711 9.051
595 2HB HIS 77 2HB HIS 77 0.307 19.566 10.190
596 HD1 HIS 77 HD1 HIS 77 2.914 17.111 10.888
597 HD2 HIS 77 HD2 HIS 77 2.200 21.084 11.931
598 HE1 HIS 77 HE1 HIS 77 4.389 17.603 12.886
599 HE2 HIS 77 HE2 HIS 77 3.964 20.021 13.536
600 H HIS 78 H HIS 78 1.724 15.340 9.935
601 HA HIS 78 HA HIS 78 1.246 13.744 11.509
602 1HB HIS 78 1HB HIS 78 0.916 16.297 13.063
603 2HB HIS 78 2HB HIS 78 0.548 14.746 13.815
604 HD1 HIS 78 HD1 HIS 78 2.639 14.973 15.386
605 HD2 HIS 78 HD2 HIS 78 3.561 14.854 11.320
606 HE1 HIS 78 HE1 HIS 78 5.134 14.572 15.228
607 HE2 HIS 78 HE2 HIS 78 5.712 14.497 12.757
608 H HIS 79 H HIS 79 -0.641 13.299 13.333
609 HA HIS 79 HA HIS 79 -3.000 12.916 11.765
610 1HB HIS 79 1HB HIS 79 -3.890 11.794 13.696
611 2HB HIS 79 2HB HIS 79 -2.187 11.358 13.563
612 HD1 HIS 79 HD1 HIS 79 -3.734 11.292 16.290
613 HD2 HIS 79 HD2 HIS 79 -1.372 14.473 14.993
614 HE1 HIS 79 HE1 HIS 79 -3.040 12.564 18.367
615 HE2 HIS 79 HE2 HIS 79 -1.601 14.505 17.593
616 H HIS 80 H HIS 80 -5.172 13.380 13.159
617 HA HIS 80 HA HIS 80 -5.226 16.023 14.341
618 1HB HIS 80 1HB HIS 80 -5.198 16.384 11.814
619 2HB HIS 80 2HB HIS 80 -6.785 15.618 11.782
620 HD1 HIS 80 HD1 HIS 80 -8.466 16.769 13.771
621 HD2 HIS 80 HD2 HIS 80 -5.437 19.107 12.120
622 HE1 HIS 80 HE1 HIS 80 -9.093 19.180 14.230
623 HE2 HIS 80 HE2 HIS 80 -7.253 20.617 13.231
624 H HIS 81 H HIS 81 -6.003 14.543 16.011
625 HA HIS 81 HA HIS 81 -7.692 13.743 17.336
626 1HB HIS 81 1HB HIS 81 -8.820 15.871 16.446
627 2HB HIS 81 2HB HIS 81 -9.677 14.809 15.331
628 HD1 HIS 81 HD1 HIS 81 -9.350 15.621 18.987
629 HD2 HIS 81 HD2 HIS 81 -11.626 13.128 16.540
630 HE1 HIS 81 HE1 HIS 81 -11.221 14.712 20.431
631 HE2 HIS 81 HE2 HIS 81 -12.617 13.191 18.954
632 H HIS 82 H HIS 82 -7.815 11.609 17.388
633 HA HIS 82 HA HIS 82 -9.409 10.215 15.369
634 1HB HIS 82 1HB HIS 82 -6.925 10.193 14.716
635 2HB HIS 82 2HB HIS 82 -6.681 9.154 16.117
636 HD1 HIS 82 HD1 HIS 82 -9.890 8.187 15.173
637 HD2 HIS 82 HD2 HIS 82 -6.163 7.557 13.416
638 HE1 HIS 82 HE1 HIS 82 -10.150 6.194 13.634
639 HE2 HIS 82 HE2 HIS 82 -7.888 5.800 12.556
Start of MODEL 5
1 1H MET 1 1HT MET 1 -5.703 9.227 4.745
2 2H MET 1 2HT MET 1 -4.344 10.224 4.950
3 3H MET 1 3HT MET 1 -5.202 9.664 6.304
4 HA MET 1 HA MET 1 -3.218 8.315 4.665
5 1HB MET 1 1HB MET 1 -3.088 9.087 7.142
6 2HB MET 1 2HB MET 1 -4.098 7.685 7.485
7 1HG MET 1 1HG MET 1 -2.419 6.242 6.326
8 2HG MET 1 2HG MET 1 -1.393 7.660 6.114
9 1HE MET 1 1HE MET 1 0.351 6.127 7.117
10 2HE MET 1 2HE MET 1 0.819 6.422 8.790
11 3HE MET 1 3HE MET 1 0.654 7.777 7.679
12 H LYS 2 H LYS 2 -5.065 7.570 3.191
13 HA LYS 2 HA LYS 2 -6.988 5.700 4.018
14 1HB LYS 2 1HB LYS 2 -7.005 4.973 1.628
15 2HB LYS 2 2HB LYS 2 -7.132 6.720 1.824
16 1HG LYS 2 1HG LYS 2 -4.367 5.671 1.601
17 2HG LYS 2 2HG LYS 2 -5.352 5.515 0.147
18 1HD LYS 2 1HD LYS 2 -5.448 8.135 1.574
19 2HD LYS 2 2HD LYS 2 -3.970 7.751 0.692
20 1HE LYS 2 1HE LYS 2 -6.673 7.402 -0.599
21 2HE LYS 2 2HE LYS 2 -5.865 8.971 -0.594
22 1HZ LYS 2 2HZ LYS 2 -4.031 6.959 -1.324
23 2HZ LYS 2 2HZ LYS 2 -4.552 8.302 -2.225
24 3HZ LYS 2 3HZ LYS 2 -5.408 6.835 -2.307
25 H SER 3 H SER 3 -7.027 3.375 3.654
26 HA SER 3 HA SER 3 -4.868 2.044 4.855
27 1HB SER 3 1HB SER 3 -6.223 0.230 4.803
28 2HB SER 3 2HB SER 3 -7.444 1.369 4.252
29 HG SER 3 HG SER 3 -6.565 0.862 2.078
30 H PHE 4 H PHE 4 -3.153 0.902 4.076
31 HA PHE 4 HA PHE 4 -1.922 1.670 1.697
32 1HB PHE 4 1HB PHE 4 -0.747 0.621 3.607
33 2HB PHE 4 2HB PHE 4 -1.525 -0.913 3.227
34 HD1 PHE 4 HD1 PHE 4 0.784 1.687 1.888
35 HD2 PHE 4 HD2 PHE 4 -0.703 -2.326 1.495
36 HE1 PHE 4 HE1 PHE 4 2.557 1.192 0.227
37 HE2 PHE 4 HE2 PHE 4 1.071 -2.819 -0.166
38 HZ PHE 4 HZ PHE 4 2.701 -1.060 -0.800
39 H TYR 5 H TYR 5 -4.131 -0.990 2.358
40 HA TYR 5 HA TYR 5 -3.763 -2.379 -0.093
41 1HB TYR 5 1HB TYR 5 -4.787 -3.433 1.878
42 2HB TYR 5 2HB TYR 5 -6.163 -2.335 1.754
43 HD1 TYR 5 HD1 TYR 5 -4.211 -4.788 -0.311
44 HD2 TYR 5 HD2 TYR 5 -8.027 -2.976 0.485
45 HE1 TYR 5 HE1 TYR 5 -5.273 -6.300 -1.963
46 HE2 TYR 5 HE2 TYR 5 -9.088 -4.491 -1.169
47 HH TYR 5 HH TYR 5 -7.846 -5.885 -3.441
48 H HIS 6 H HIS 6 -5.857 0.280 0.892
49 HA HIS 6 HA HIS 6 -7.569 0.229 -1.380
50 1HB HIS 6 1HB HIS 6 -6.824 2.482 0.474
51 2HB HIS 6 2HB HIS 6 -8.102 2.557 -0.735
52 HD1 HIS 6 HD1 HIS 6 -8.178 -0.796 0.416
53 HD2 HIS 6 HD2 HIS 6 -9.495 2.812 2.042
54 HE1 HIS 6 HE1 HIS 6 -9.886 -1.389 2.189
55 HE2 HIS 6 HE2 HIS 6 -10.704 0.799 3.183
56 H TYR 7 H TYR 7 -4.751 2.289 -0.577
57 HA TYR 7 HA TYR 7 -4.686 3.705 -3.000
58 1HB TYR 7 1HB TYR 7 -3.287 4.485 -1.220
59 2HB TYR 7 2HB TYR 7 -2.489 2.920 -1.067
60 HD1 TYR 7 HD1 TYR 7 -0.577 2.392 -2.365
61 HD2 TYR 7 HD2 TYR 7 -2.982 5.804 -3.391
62 HE1 TYR 7 HE1 TYR 7 1.125 3.094 -4.026
63 HE2 TYR 7 HE2 TYR 7 -1.277 6.505 -5.051
64 HH TYR 7 HH TYR 7 0.765 4.818 -6.408
65 H LEU 8 H LEU 8 -2.989 0.763 -1.982
66 HA LEU 8 HA LEU 8 -1.768 0.133 -4.427
67 1HB LEU 8 1HB LEU 8 -1.428 -0.922 -2.086
68 2HB LEU 8 2HB LEU 8 -2.793 -1.954 -2.511
69 HG LEU 8 HG LEU 8 -1.371 -2.246 -4.765
70 1HD1 LEU 8 1HD1 LEU 8 0.809 -1.972 -2.687
71 2HD1 LEU 8 2HD1 LEU 8 0.381 -0.648 -3.770
72 3HD1 LEU 8 3HD1 LEU 8 0.980 -2.168 -4.431
73 1HD2 LEU 8 1HD2 LEU 8 -0.250 -4.240 -3.569
74 2HD2 LEU 8 2HD2 LEU 8 -2.010 -4.162 -3.514
75 3HD2 LEU 8 3HD2 LEU 8 -1.062 -3.665 -2.112
76 H LEU 9 H LEU 9 -5.087 -0.162 -3.332
77 HA LEU 9 HA LEU 9 -5.974 -2.196 -5.066
78 1HB LEU 9 1HB LEU 9 -7.164 -0.515 -3.206
79 2HB LEU 9 2HB LEU 9 -7.949 -0.082 -4.724
80 HG LEU 9 HG LEU 9 -7.626 -2.925 -3.713
81 1HD1 LEU 9 1HD1 LEU 9 -9.133 -1.806 -2.213
82 2HD1 LEU 9 2HD1 LEU 9 -10.130 -2.728 -3.338
83 3HD1 LEU 9 3HD1 LEU 9 -9.947 -0.985 -3.545
84 1HD2 LEU 9 1HD2 LEU 9 -9.012 -1.646 -6.076
85 2HD2 LEU 9 2HD2 LEU 9 -9.515 -3.222 -5.463
86 3HD2 LEU 9 3HD2 LEU 9 -7.875 -2.994 -6.069
87 H LYS 10 H LYS 10 -5.042 1.062 -5.737
88 HA LYS 10 HA LYS 10 -6.490 1.442 -8.162
89 1HB LYS 10 1HB LYS 10 -5.494 3.310 -6.907
90 2HB LYS 10 2HB LYS 10 -3.881 2.682 -7.244
91 1HG LYS 10 1HG LYS 10 -3.963 3.280 -9.481
92 2HG LYS 10 2HG LYS 10 -5.720 3.164 -9.557
93 1HD LYS 10 1HD LYS 10 -5.056 5.513 -9.674
94 2HD LYS 10 2HD LYS 10 -5.886 5.213 -8.146
95 1HE LYS 10 1HE LYS 10 -3.727 5.019 -6.988
96 2HE LYS 10 2HE LYS 10 -2.874 5.259 -8.514
97 1HZ LYS 10 2HZ LYS 10 -4.571 7.192 -7.050
98 2HZ LYS 10 2HZ LYS 10 -4.130 7.418 -8.675
99 3HZ LYS 10 3HZ LYS 10 -2.935 7.344 -7.470
100 H TYR 11 H TYR 11 -3.809 -0.485 -7.336
101 HA TYR 11 HA TYR 11 -2.834 -0.700 -10.086
102 1HB TYR 11 1HB TYR 11 -1.819 -1.732 -7.431
103 2HB TYR 11 2HB TYR 11 -1.138 -2.241 -8.972
104 HD1 TYR 11 HD1 TYR 11 -0.532 -0.269 -10.643
105 HD2 TYR 11 HD2 TYR 11 -0.932 0.157 -6.386
106 HE1 TYR 11 HE1 TYR 11 0.832 1.801 -10.721
107 HE2 TYR 11 HE2 TYR 11 0.433 2.226 -6.465
108 HH TYR 11 HH TYR 11 1.413 3.732 -7.789
109 H ARG 12 H ARG 12 -5.386 -1.490 -9.784
110 HA ARG 12 HA ARG 12 -6.266 -3.886 -9.030
111 1HB ARG 12 1HB ARG 12 -6.732 -3.215 -11.914
112 2HB ARG 12 2HB ARG 12 -7.865 -3.830 -10.710
113 1HG ARG 12 1HG ARG 12 -7.645 -1.621 -9.504
114 2HG ARG 12 2HG ARG 12 -6.722 -1.038 -10.887
115 1HD ARG 12 1HD ARG 12 -9.503 -2.209 -11.129
116 2HD ARG 12 2HD ARG 12 -9.197 -0.484 -10.951
117 HE ARG 12 HE ARG 12 -7.645 -1.082 -13.063
118 1HH1 ARG 12 1HH2 ARG 12 -10.916 -1.919 -12.263
119 2HH1 ARG 12 2HH2 ARG 12 -11.437 -2.011 -13.911
120 1HH2 ARG 12 1HH1 ARG 12 -8.334 -1.201 -15.223
121 2HH2 ARG 12 2HH1 ARG 12 -9.980 -1.605 -15.582
122 H HIS 13 H HIS 13 -6.327 -5.996 -9.734
123 HA HIS 13 HA HIS 13 -3.854 -7.029 -10.689
124 1HB HIS 13 1HB HIS 13 -4.587 -9.014 -9.891
125 2HB HIS 13 2HB HIS 13 -5.814 -8.028 -9.114
126 HD1 HIS 13 HD1 HIS 13 -8.190 -8.576 -9.675
127 HD2 HIS 13 HD2 HIS 13 -5.547 -10.123 -12.506
128 HE1 HIS 13 HE1 HIS 13 -9.578 -9.982 -11.261
129 HE2 HIS 13 HE2 HIS 13 -7.980 -10.938 -12.986
130 HA PRO 14 HA PRO 14 -6.505 -8.125 -14.582
131 1HB PRO 14 1HB PRO 14 -8.277 -5.800 -14.883
132 2HB PRO 14 2HB PRO 14 -8.674 -7.526 -14.924
133 1HG PRO 14 1HG PRO 14 -9.386 -5.880 -12.897
134 2HG PRO 14 2HG PRO 14 -9.101 -7.616 -12.695
135 1HD PRO 14 1HD PRO 14 -7.331 -5.318 -11.960
136 2HD PRO 14 2HD PRO 14 -7.556 -6.874 -11.138
137 H LYS 15 H LYS 15 -4.407 -5.973 -13.783
138 HA LYS 15 HA LYS 15 -3.635 -5.302 -16.440
139 1HB LYS 15 1HB LYS 15 -5.417 -3.632 -16.208
140 2HB LYS 15 2HB LYS 15 -4.671 -3.028 -14.729
141 1HG LYS 15 1HG LYS 15 -3.065 -1.881 -15.862
142 2HG LYS 15 2HG LYS 15 -2.836 -3.175 -17.039
143 1HD LYS 15 1HD LYS 15 -4.937 -2.495 -18.172
144 2HD LYS 15 2HD LYS 15 -5.115 -1.172 -17.020
145 1HE LYS 15 1HE LYS 15 -3.160 -0.072 -17.820
146 2HE LYS 15 2HE LYS 15 -2.626 -1.501 -18.705
147 1HZ LYS 15 2HZ LYS 15 -4.309 -1.237 -20.284
148 2HZ LYS 15 2HZ LYS 15 -3.711 0.335 -20.039
149 3HZ LYS 15 3HZ LYS 15 -5.178 -0.139 -19.324
150 HA PRO 16 HA PRO 16 -0.308 -4.983 -13.253
151 1HB PRO 16 1HB PRO 16 1.023 -7.283 -13.779
152 2HB PRO 16 2HB PRO 16 -0.378 -7.222 -12.696
153 1HG PRO 16 1HG PRO 16 -0.164 -8.293 -15.429
154 2HG PRO 16 2HG PRO 16 -1.287 -8.722 -14.131
155 1HD PRO 16 1HD PRO 16 -1.809 -7.015 -16.371
156 2HD PRO 16 2HD PRO 16 -2.885 -7.350 -14.999
157 H LYS 17 H LYS 17 0.745 -3.305 -14.302
158 HA LYS 17 HA LYS 17 2.066 -3.773 -16.858
159 1HB LYS 17 1HB LYS 17 2.082 -1.270 -15.160
160 2HB LYS 17 2HB LYS 17 2.497 -1.406 -16.868
161 1HG LYS 17 1HG LYS 17 0.145 -2.205 -17.297
162 2HG LYS 17 2HG LYS 17 -0.230 -1.831 -15.615
163 1HD LYS 17 1HD LYS 17 1.037 0.268 -17.356
164 2HD LYS 17 2HD LYS 17 -0.699 -0.025 -17.460
165 1HE LYS 17 1HE LYS 17 -1.005 0.472 -15.126
166 2HE LYS 17 2HE LYS 17 0.737 0.496 -14.843
167 1HZ LYS 17 2HZ LYS 17 0.334 2.291 -16.864
168 2HZ LYS 17 2HZ LYS 17 0.626 2.662 -15.232
169 3HZ LYS 17 3HZ LYS 17 -0.968 2.566 -15.813
170 H ASP 18 H ASP 18 3.272 -2.019 -14.022
171 HA ASP 18 HA ASP 18 5.962 -2.991 -14.520
172 1HB ASP 18 1HB ASP 18 5.395 -0.612 -13.865
173 2HB ASP 18 2HB ASP 18 5.022 -1.223 -12.255
174 H SER 19 H SER 19 7.283 -3.591 -12.512
175 HA SER 19 HA SER 19 6.507 -6.065 -11.533
176 1HB SER 19 1HB SER 19 8.763 -5.706 -11.244
177 2HB SER 19 2HB SER 19 8.543 -4.032 -10.739
178 HG SER 19 HG SER 19 7.602 -6.171 -9.159
179 H ILE 20 H ILE 20 6.128 -2.860 -10.054
180 HA ILE 20 HA ILE 20 5.075 -3.699 -7.582
181 HB ILE 20 HB ILE 20 5.866 -1.350 -8.343
182 1HG1 ILE 20 1HG1 ILE 20 3.294 -1.452 -6.748
183 2HG1 ILE 20 2HG1 ILE 20 4.827 -2.046 -6.109
184 1HG2 ILE 20 1HG2 ILE 20 2.919 -1.061 -8.987
185 2HG2 ILE 20 2HG2 ILE 20 4.147 -1.299 -10.231
186 3HG2 ILE 20 3HG2 ILE 20 4.196 0.135 -9.207
187 1HD1 ILE 20 1HD1 ILE 20 5.835 0.115 -6.253
188 2HD1 ILE 20 2HD1 ILE 20 4.249 0.370 -5.525
189 3HD1 ILE 20 3HD1 ILE 20 4.509 0.746 -7.229
190 H SER 21 H SER 21 3.593 -3.166 -10.721
191 HA SER 21 HA SER 21 0.883 -3.280 -9.918
192 1HB SER 21 1HB SER 21 1.830 -4.307 -12.576
193 2HB SER 21 2HB SER 21 0.371 -3.399 -12.192
194 HG SER 21 HG SER 21 3.055 -2.472 -12.180
195 H GLU 22 H GLU 22 3.169 -5.782 -10.983
196 HA GLU 22 HA GLU 22 1.377 -7.963 -10.981
197 1HB GLU 22 1HB GLU 22 4.275 -8.236 -10.203
198 2HB GLU 22 2HB GLU 22 3.272 -9.339 -11.147
199 1HG GLU 22 1HG GLU 22 3.110 -7.427 -12.872
200 2HG GLU 22 2HG GLU 22 4.451 -6.695 -11.999
201 H PHE 23 H PHE 23 3.346 -6.487 -8.449
202 HA PHE 23 HA PHE 23 2.930 -8.388 -6.418
203 1HB PHE 23 1HB PHE 23 4.589 -6.583 -6.229
204 2HB PHE 23 2HB PHE 23 3.297 -5.387 -6.200
205 HD1 PHE 23 HD1 PHE 23 2.624 -4.605 -4.119
206 HD2 PHE 23 HD2 PHE 23 4.208 -8.585 -4.447
207 HE1 PHE 23 HE1 PHE 23 2.404 -4.898 -1.666
208 HE2 PHE 23 HE2 PHE 23 3.986 -8.876 -1.994
209 HZ PHE 23 HZ PHE 23 3.085 -7.031 -0.604
210 H ALA 24 H ALA 24 1.143 -5.446 -7.297
211 HA ALA 24 HA ALA 24 -0.865 -5.554 -5.357
212 1HB ALA 24 1HB ALA 24 -0.425 -3.689 -7.023
213 2HB ALA 24 2HB ALA 24 -2.123 -4.101 -6.785
214 3HB ALA 24 3HB ALA 24 -1.270 -4.670 -8.221
215 H ASN 25 H ASN 25 -0.510 -7.232 -8.444
216 HA ASN 25 HA ASN 25 -3.031 -8.341 -8.763
217 1HB ASN 25 1HB ASN 25 -0.649 -8.539 -10.067
218 2HB ASN 25 2HB ASN 25 -0.750 -10.136 -9.328
219 1HD2 ASN 25 1HD2 ASN 25 -2.341 -7.935 -11.612
220 2HD2 ASN 25 2HD2 ASN 25 -3.336 -9.112 -12.299
221 H GLN 26 H GLN 26 -0.238 -9.631 -6.970
222 HA GLN 26 HA GLN 26 -1.476 -11.995 -6.047
223 1HB GLN 26 1HB GLN 26 0.970 -11.592 -5.974
224 2HB GLN 26 2HB GLN 26 0.718 -10.385 -4.715
225 1HG GLN 26 1HG GLN 26 -0.196 -12.063 -3.213
226 2HG GLN 26 2HG GLN 26 -0.140 -13.284 -4.483
227 1HE2 GLN 26 1HE2 GLN 26 1.928 -11.269 -2.370
228 2HE2 GLN 26 2HE2 GLN 26 3.309 -12.241 -2.533
229 H ALA 27 H ALA 27 -1.051 -8.832 -4.456
230 HA ALA 27 HA ALA 27 -2.367 -9.416 -2.059
231 1HB ALA 27 1HB ALA 27 -2.242 -6.773 -3.532
232 2HB ALA 27 2HB ALA 27 -1.028 -7.384 -2.408
233 3HB ALA 27 3HB ALA 27 -2.645 -6.985 -1.828
234 H TYR 28 H TYR 28 -3.643 -8.573 -5.216
235 HA TYR 28 HA TYR 28 -6.259 -7.843 -4.504
236 1HB TYR 28 1HB TYR 28 -5.039 -7.789 -6.815
237 2HB TYR 28 2HB TYR 28 -5.682 -9.422 -6.995
238 HD1 TYR 28 HD1 TYR 28 -6.523 -5.849 -6.729
239 HD2 TYR 28 HD2 TYR 28 -8.097 -9.827 -7.119
240 HE1 TYR 28 HE1 TYR 28 -8.730 -4.913 -7.362
241 HE2 TYR 28 HE2 TYR 28 -10.304 -8.890 -7.750
242 HH TYR 28 HH TYR 28 -11.033 -6.514 -8.880
243 H GLU 29 H GLU 29 -4.732 -10.990 -4.783
244 HA GLU 29 HA GLU 29 -7.239 -12.436 -4.640
245 1HB GLU 29 1HB GLU 29 -4.562 -13.706 -4.186
246 2HB GLU 29 2HB GLU 29 -5.984 -14.350 -5.000
247 1HG GLU 29 1HG GLU 29 -5.541 -12.365 -6.689
248 2HG GLU 29 2HG GLU 29 -3.904 -12.458 -6.041
249 H ASP 30 H ASP 30 -5.533 -10.739 -2.406
250 HA ASP 30 HA ASP 30 -5.595 -12.614 -0.207
251 1HB ASP 30 1HB ASP 30 -4.026 -10.560 -0.543
252 2HB ASP 30 2HB ASP 30 -5.372 -9.633 0.116
253 H HIS 31 H HIS 31 -6.668 -11.653 1.894
254 HA HIS 31 HA HIS 31 -9.107 -10.217 1.666
255 1HB HIS 31 1HB HIS 31 -9.658 -12.443 0.512
256 2HB HIS 31 2HB HIS 31 -9.514 -13.177 2.108
257 HD1 HIS 31 HD1 HIS 31 -11.858 -13.553 2.877
258 HD2 HIS 31 HD2 HIS 31 -11.392 -9.777 1.175
259 HE1 HIS 31 HE1 HIS 31 -14.061 -12.346 3.199
260 HE2 HIS 31 HE2 HIS 31 -13.791 -10.041 2.167
261 H SER 32 H SER 32 -6.650 -10.664 3.336
262 HA SER 32 HA SER 32 -8.015 -10.721 5.945
263 1HB SER 32 1HB SER 32 -5.711 -12.434 5.068
264 2HB SER 32 2HB SER 32 -5.846 -11.941 6.753
265 HG SER 32 HG SER 32 -7.137 -13.617 6.825
266 H PHE 33 H PHE 33 -6.102 -9.107 3.806
267 HA PHE 33 HA PHE 33 -3.975 -8.020 5.190
268 1HB PHE 33 1HB PHE 33 -4.950 -7.641 2.740
269 2HB PHE 33 2HB PHE 33 -5.629 -6.200 3.495
270 HD1 PHE 33 HD1 PHE 33 -2.447 -8.058 2.917
271 HD2 PHE 33 HD2 PHE 33 -4.269 -4.319 3.995
272 HE1 PHE 33 HE1 PHE 33 -0.239 -6.937 2.767
273 HE2 PHE 33 HE2 PHE 33 -2.063 -3.201 3.845
274 HZ PHE 33 HZ PHE 33 -0.048 -4.509 3.230
275 HA PRO 34 HA PRO 34 -5.970 -5.720 8.426
276 1HB PRO 34 1HB PRO 34 -3.845 -4.203 9.221
277 2HB PRO 34 2HB PRO 34 -3.989 -5.932 9.586
278 1HG PRO 34 1HG PRO 34 -2.371 -4.568 7.498
279 2HG PRO 34 2HG PRO 34 -1.973 -5.975 8.499
280 1HD PRO 34 1HD PRO 34 -2.799 -6.155 5.876
281 2HD PRO 34 2HD PRO 34 -3.014 -7.451 7.072
282 H LYS 35 H LYS 35 -6.994 -4.762 6.247
283 HA LYS 35 HA LYS 35 -6.249 -2.263 5.246
284 1HB LYS 35 1HB LYS 35 -9.160 -2.708 5.492
285 2HB LYS 35 2HB LYS 35 -8.189 -2.355 4.065
286 1HG LYS 35 1HG LYS 35 -7.306 -4.754 4.256
287 2HG LYS 35 2HG LYS 35 -8.605 -5.028 5.417
288 1HD LYS 35 1HD LYS 35 -10.197 -4.119 3.630
289 2HD LYS 35 2HD LYS 35 -8.851 -4.268 2.500
290 1HE LYS 35 1HE LYS 35 -10.222 -6.469 4.060
291 2HE LYS 35 2HE LYS 35 -10.072 -6.311 2.310
292 1HZ LYS 35 2HZ LYS 35 -8.122 -7.238 4.269
293 2HZ LYS 35 2HZ LYS 35 -7.519 -6.319 2.973
294 3HZ LYS 35 3HZ LYS 35 -8.384 -7.750 2.674
295 H THR 36 H THR 36 -7.757 -3.118 8.249
296 HA THR 36 HA THR 36 -8.496 -0.330 8.805
297 HB THR 36 HB THR 36 -10.163 -2.038 9.337
298 HG1 THR 36 HG1 THR 36 -8.909 -0.942 11.631
299 1HG2 THR 36 1HG2 THR 36 -9.447 -3.501 11.433
300 2HG2 THR 36 2HG2 THR 36 -7.835 -3.271 10.758
301 3HG2 THR 36 3HG2 THR 36 -9.096 -4.039 9.793
302 H SER 37 H SER 37 -5.690 -1.098 8.613
303 HA SER 37 HA SER 37 -4.650 0.250 10.841
304 1HB SER 37 1HB SER 37 -5.295 -1.788 12.080
305 2HB SER 37 2HB SER 37 -4.321 -2.759 10.985
306 HG SER 37 HG SER 37 -3.261 -2.118 12.977
307 H THR 38 H THR 38 -3.328 1.264 9.386
308 HA THR 38 HA THR 38 -1.496 -0.407 7.796
309 HB THR 38 HB THR 38 -2.539 1.130 6.348
310 HG1 THR 38 HG1 THR 38 -0.791 2.865 6.210
311 1HG2 THR 38 1HG2 THR 38 -2.453 3.669 7.049
312 2HG2 THR 38 2HG2 THR 38 -2.336 3.010 8.680
313 3HG2 THR 38 3HG2 THR 38 -3.733 2.629 7.674
314 H ASP 39 H ASP 39 0.266 -0.864 8.917
315 HA ASP 39 HA ASP 39 1.850 1.332 10.023
316 1HB ASP 39 1HB ASP 39 0.882 0.716 12.034
317 2HB ASP 39 2HB ASP 39 0.704 -0.967 11.560
318 H TYR 40 H TYR 40 3.907 1.131 9.357
319 HA TYR 40 HA TYR 40 4.816 -0.735 7.574
320 1HB TYR 40 1HB TYR 40 6.015 1.358 8.124
321 2HB TYR 40 2HB TYR 40 6.521 0.651 9.658
322 HD1 TYR 40 HD1 TYR 40 8.428 -0.756 9.776
323 HD2 TYR 40 HD2 TYR 40 6.669 0.144 5.959
324 HE1 TYR 40 HE1 TYR 40 10.336 -1.855 8.635
325 HE2 TYR 40 HE2 TYR 40 8.577 -0.955 4.821
326 HH TYR 40 HH TYR 40 10.452 -3.030 5.973
327 H HIS 41 H HIS 41 5.245 -0.886 11.125
328 HA HIS 41 HA HIS 41 6.699 -3.308 11.137
329 1HB HIS 41 1HB HIS 41 4.886 -2.193 13.288
330 2HB HIS 41 2HB HIS 41 6.106 -3.441 13.513
331 HD1 HIS 41 HD1 HIS 41 5.846 -0.179 14.426
332 HD2 HIS 41 HD2 HIS 41 8.656 -2.073 11.999
333 HE1 HIS 41 HE1 HIS 41 7.909 1.290 14.440
334 HE2 HIS 41 HE2 HIS 41 9.631 0.150 12.961
335 H GLU 42 H GLU 42 3.226 -2.700 11.651
336 HA GLU 42 HA GLU 42 2.447 -5.382 11.979
337 1HB GLU 42 1HB GLU 42 1.086 -3.293 12.475
338 2HB GLU 42 2HB GLU 42 0.741 -3.215 10.746
339 1HG GLU 42 1HG GLU 42 -0.258 -5.444 10.808
340 2HG GLU 42 2HG GLU 42 0.171 -5.617 12.509
341 H ILE 43 H ILE 43 2.475 -3.331 9.072
342 HA ILE 43 HA ILE 43 1.471 -5.302 7.304
343 HB ILE 43 HB ILE 43 3.236 -2.933 6.645
344 1HG1 ILE 43 1HG1 ILE 43 1.088 -2.518 8.042
345 2HG1 ILE 43 2HG1 ILE 43 1.292 -1.581 6.567
346 1HG2 ILE 43 1HG2 ILE 43 3.071 -4.323 4.727
347 2HG2 ILE 43 2HG2 ILE 43 1.837 -3.086 4.491
348 3HG2 ILE 43 3HG2 ILE 43 1.376 -4.697 5.041
349 1HD1 ILE 43 1HD1 ILE 43 -0.327 -2.815 5.413
350 2HD1 ILE 43 2HD1 ILE 43 -1.003 -2.743 7.039
351 3HD1 ILE 43 3HD1 ILE 43 -0.181 -4.204 6.490
352 H SER 44 H SER 44 4.807 -4.181 7.933
353 HA SER 44 HA SER 44 6.167 -5.811 6.151
354 1HB SER 44 1HB SER 44 8.108 -5.574 7.613
355 2HB SER 44 2HB SER 44 7.240 -4.046 7.512
356 HG SER 44 HG SER 44 7.906 -5.005 9.680
357 H SER 45 H SER 45 5.115 -6.566 9.467
358 HA SER 45 HA SER 45 6.220 -9.163 9.587
359 1HB SER 45 1HB SER 45 5.039 -9.402 11.584
360 2HB SER 45 2HB SER 45 5.231 -7.657 11.472
361 HG SER 45 HG SER 45 3.145 -7.466 10.838
362 H TYR 46 H TYR 46 3.192 -7.900 8.331
363 HA TYR 46 HA TYR 46 1.758 -10.299 8.061
364 1HB TYR 46 1HB TYR 46 0.881 -7.942 7.743
365 2HB TYR 46 2HB TYR 46 1.651 -7.948 6.157
366 HD1 TYR 46 HD1 TYR 46 0.780 -9.282 4.332
367 HD2 TYR 46 HD2 TYR 46 -0.995 -9.473 8.240
368 HE1 TYR 46 HE1 TYR 46 -1.175 -10.478 3.386
369 HE2 TYR 46 HE2 TYR 46 -2.949 -10.672 7.294
370 HH TYR 46 HH TYR 46 -3.459 -12.079 5.310
371 H LEU 47 H LEU 47 4.193 -8.775 6.022
372 HA LEU 47 HA LEU 47 3.927 -10.653 3.859
373 1HB LEU 47 1HB LEU 47 6.237 -8.803 4.509
374 2HB LEU 47 2HB LEU 47 5.917 -9.582 2.959
375 HG LEU 47 HG LEU 47 3.823 -7.824 4.224
376 1HD1 LEU 47 1HD1 LEU 47 6.027 -6.852 2.385
377 2HD1 LEU 47 2HD1 LEU 47 5.995 -6.560 4.124
378 3HD1 LEU 47 3HD1 LEU 47 4.731 -5.888 3.094
379 1HD2 LEU 47 1HD2 LEU 47 3.368 -9.307 2.221
380 2HD2 LEU 47 2HD2 LEU 47 4.539 -8.338 1.323
381 3HD2 LEU 47 3HD2 LEU 47 3.068 -7.590 1.946
382 H GLU 48 H GLU 48 6.286 -10.166 6.488
383 HA GLU 48 HA GLU 48 7.918 -12.400 5.882
384 1HB GLU 48 1HB GLU 48 7.451 -10.953 8.502
385 2HB GLU 48 2HB GLU 48 8.732 -12.134 8.222
386 1HG GLU 48 1HG GLU 48 9.582 -10.725 6.357
387 2HG GLU 48 2HG GLU 48 8.355 -9.520 6.734
388 H LEU 49 H LEU 49 4.853 -12.103 7.424
389 HA LEU 49 HA LEU 49 4.867 -14.466 8.995
390 1HB LEU 49 1HB LEU 49 2.783 -12.622 7.922
391 2HB LEU 49 2HB LEU 49 2.263 -14.211 8.481
392 HG LEU 49 HG LEU 49 4.114 -12.605 10.214
393 1HD1 LEU 49 1HD1 LEU 49 1.726 -11.909 11.254
394 2HD1 LEU 49 2HD1 LEU 49 1.288 -11.954 9.546
395 3HD1 LEU 49 3HD1 LEU 49 2.587 -10.898 10.097
396 1HD2 LEU 49 1HD2 LEU 49 2.968 -13.827 11.983
397 2HD2 LEU 49 2HD2 LEU 49 3.461 -14.972 10.737
398 3HD2 LEU 49 3HD2 LEU 49 1.781 -14.446 10.836
399 H ASN 50 H ASN 50 4.898 -14.011 5.647
400 HA ASN 50 HA ASN 50 4.384 -16.856 5.207
401 1HB ASN 50 1HB ASN 50 2.210 -15.542 4.918
402 2HB ASN 50 2HB ASN 50 2.962 -14.816 3.500
403 1HD2 ASN 50 1HD2 ASN 50 0.757 -17.066 4.077
404 2HD2 ASN 50 2HD2 ASN 50 1.165 -18.246 2.927
405 H ALA 51 H ALA 51 5.991 -17.600 4.065
406 HA ALA 51 HA ALA 51 8.045 -16.160 2.896
407 1HB ALA 51 1HB ALA 51 8.727 -18.245 1.862
408 2HB ALA 51 2HB ALA 51 7.111 -18.918 2.078
409 3HB ALA 51 3HB ALA 51 8.118 -18.574 3.484
410 H ASP 52 H ASP 52 4.915 -16.883 1.574
411 HA ASP 52 HA ASP 52 5.450 -16.789 -1.171
412 1HB ASP 52 1HB ASP 52 3.013 -15.839 0.351
413 2HB ASP 52 2HB ASP 52 3.080 -16.051 -1.397
414 H TYR 53 H TYR 53 5.206 -14.208 1.191
415 HA TYR 53 HA TYR 53 5.385 -12.167 -0.914
416 1HB TYR 53 1HB TYR 53 5.080 -11.885 2.087
417 2HB TYR 53 2HB TYR 53 5.047 -10.560 0.924
418 HD1 TYR 53 HD1 TYR 53 3.348 -13.761 1.832
419 HD2 TYR 53 HD2 TYR 53 3.048 -9.999 -0.218
420 HE1 TYR 53 HE1 TYR 53 0.935 -14.169 1.436
421 HE2 TYR 53 HE2 TYR 53 0.636 -10.406 -0.615
422 HH TYR 53 HH TYR 53 -1.082 -11.760 -0.258
423 H LEU 54 H LEU 54 7.312 -13.843 1.404
424 HA LEU 54 HA LEU 54 9.391 -12.070 1.913
425 1HB LEU 54 1HB LEU 54 9.159 -14.257 3.014
426 2HB LEU 54 2HB LEU 54 9.559 -15.064 1.499
427 HG LEU 54 HG LEU 54 11.780 -14.039 1.494
428 1HD1 LEU 54 1HD1 LEU 54 10.636 -12.530 3.827
429 2HD1 LEU 54 2HD1 LEU 54 11.603 -11.934 2.477
430 3HD1 LEU 54 3HD1 LEU 54 12.371 -12.848 3.773
431 1HD2 LEU 54 1HD2 LEU 54 11.224 -15.146 4.260
432 2HD2 LEU 54 2HD2 LEU 54 12.733 -15.240 3.350
433 3HD2 LEU 54 3HD2 LEU 54 11.322 -16.154 2.814
434 H HIS 55 H HIS 55 8.619 -13.797 -1.010
435 HA HIS 55 HA HIS 55 11.230 -13.409 -2.207
436 1HB HIS 55 1HB HIS 55 9.619 -15.361 -2.636
437 2HB HIS 55 2HB HIS 55 8.722 -14.237 -3.654
438 HD1 HIS 55 HD1 HIS 55 12.496 -14.658 -3.294
439 HD2 HIS 55 HD2 HIS 55 9.530 -14.921 -6.212
440 HE1 HIS 55 HE1 HIS 55 13.687 -15.076 -5.489
441 HE2 HIS 55 HE2 HIS 55 11.893 -15.235 -7.280
442 H THR 56 H THR 56 8.981 -11.194 -1.516
443 HA THR 56 HA THR 56 9.748 -9.539 -3.808
444 HB THR 56 HB THR 56 7.609 -10.567 -4.471
445 HG1 THR 56 HG1 THR 56 7.309 -8.711 -5.346
446 1HG2 THR 56 1HG2 THR 56 6.602 -11.025 -2.339
447 2HG2 THR 56 2HG2 THR 56 5.559 -9.874 -3.170
448 3HG2 THR 56 3HG2 THR 56 6.639 -9.321 -1.891
449 H MET 57 H MET 57 10.312 -9.641 -0.885
450 HA MET 57 HA MET 57 8.959 -7.611 0.515
451 1HB MET 57 1HB MET 57 11.841 -8.518 0.733
452 2HB MET 57 2HB MET 57 11.014 -7.502 1.911
453 1HG MET 57 1HG MET 57 10.267 -10.333 1.130
454 2HG MET 57 2HG MET 57 10.939 -9.814 2.675
455 1HE MET 57 1HE MET 57 9.078 -6.880 2.963
456 2HE MET 57 2HE MET 57 10.045 -7.962 3.962
457 3HE MET 57 3HE MET 57 8.339 -7.722 4.332
458 H ALA 58 H ALA 58 11.694 -7.522 -1.695
459 HA ALA 58 HA ALA 58 12.507 -4.864 -1.335
460 1HB ALA 58 1HB ALA 58 12.640 -6.721 -3.709
461 2HB ALA 58 2HB ALA 58 13.931 -6.290 -2.590
462 3HB ALA 58 3HB ALA 58 13.330 -5.099 -3.743
463 H THR 59 H THR 59 9.883 -6.246 -3.228
464 HA THR 59 HA THR 59 9.293 -3.846 -4.685
465 HB THR 59 HB THR 59 7.501 -6.222 -4.134
466 HG1 THR 59 HG1 THR 59 9.760 -6.240 -5.331
467 1HG2 THR 59 1HG2 THR 59 6.753 -5.379 -6.539
468 2HG2 THR 59 2HG2 THR 59 7.384 -3.843 -5.943
469 3HG2 THR 59 3HG2 THR 59 6.082 -4.658 -5.076
470 H PHE 60 H PHE 60 7.986 -5.385 -1.758
471 HA PHE 60 HA PHE 60 5.882 -3.530 -1.333
472 1HB PHE 60 1HB PHE 60 5.661 -5.513 -0.112
473 2HB PHE 60 2HB PHE 60 7.343 -5.492 0.414
474 HD1 PHE 60 HD1 PHE 60 7.890 -4.644 2.534
475 HD2 PHE 60 HD2 PHE 60 4.160 -3.529 0.714
476 HE1 PHE 60 HE1 PHE 60 7.228 -3.466 4.612
477 HE2 PHE 60 HE2 PHE 60 3.498 -2.353 2.794
478 HZ PHE 60 HZ PHE 60 5.031 -2.319 4.742
479 H ASP 61 H ASP 61 9.157 -3.747 0.074
480 HA ASP 61 HA ASP 61 9.081 -1.494 1.700
481 1HB ASP 61 1HB ASP 61 11.340 -2.783 0.163
482 2HB ASP 61 2HB ASP 61 11.591 -1.434 1.266
483 H GLU 62 H GLU 62 9.947 -1.777 -1.726
484 HA GLU 62 HA GLU 62 10.587 0.955 -2.136
485 1HB GLU 62 1HB GLU 62 11.384 -0.598 -3.747
486 2HB GLU 62 2HB GLU 62 9.783 -1.293 -3.986
487 1HG GLU 62 1HG GLU 62 10.113 1.626 -4.540
488 2HG GLU 62 2HG GLU 62 10.820 0.497 -5.691
489 H ALA 63 H ALA 63 7.600 -0.916 -2.458
490 HA ALA 63 HA ALA 63 6.001 1.076 -3.640
491 1HB ALA 63 1HB ALA 63 4.985 -0.956 -1.651
492 2HB ALA 63 2HB ALA 63 5.456 -1.406 -3.290
493 3HB ALA 63 3HB ALA 63 4.139 -0.263 -3.035
494 H TRP 64 H TRP 64 6.556 0.250 -0.223
495 HA TRP 64 HA TRP 64 4.845 2.111 0.957
496 1HB TRP 64 1HB TRP 64 6.173 0.273 2.114
497 2HB TRP 64 2HB TRP 64 7.558 1.363 2.065
498 HD1 TRP 64 HD1 TRP 64 7.487 3.536 3.572
499 HE1 TRP 64 HE1 TRP 64 6.016 4.216 5.574
500 HE3 TRP 64 HE3 TRP 64 3.766 0.060 3.155
501 HZ2 TRP 64 HZ2 TRP 64 3.587 3.392 6.839
502 HZ3 TRP 64 HZ3 TRP 64 1.888 0.030 4.774
503 HH2 TRP 64 HH2 TRP 64 1.796 1.690 6.613
504 H ASP 65 H ASP 65 8.270 2.481 0.030
505 HA ASP 65 HA ASP 65 8.702 5.079 0.911
506 1HB ASP 65 1HB ASP 65 9.763 3.748 -1.594
507 2HB ASP 65 2HB ASP 65 10.413 5.222 -0.882
508 H GLN 66 H GLN 66 7.193 3.945 -2.081
509 HA GLN 66 HA GLN 66 6.865 6.547 -3.228
510 1HB GLN 66 1HB GLN 66 5.513 3.900 -3.790
511 2HB GLN 66 2HB GLN 66 5.241 5.362 -4.738
512 1HG GLN 66 1HG GLN 66 8.082 4.649 -4.293
513 2HG GLN 66 2HG GLN 66 7.174 3.537 -5.314
514 1HE2 GLN 66 1HE2 GLN 66 6.203 4.421 -7.310
515 2HE2 GLN 66 2HE2 GLN 66 6.783 5.871 -7.973
516 H TYR 67 H TYR 67 4.763 4.352 -1.387
517 HA TYR 67 HA TYR 67 2.375 5.761 -1.481
518 1HB TYR 67 1HB TYR 67 2.512 3.563 -0.447
519 2HB TYR 67 2HB TYR 67 3.558 4.191 0.826
520 HD1 TYR 67 HD1 TYR 67 0.153 4.536 -0.676
521 HD2 TYR 67 HD2 TYR 67 2.642 5.211 2.762
522 HE1 TYR 67 HE1 TYR 67 -1.842 5.201 0.639
523 HE2 TYR 67 HE2 TYR 67 0.645 5.875 4.076
524 HH TYR 67 HH TYR 67 -1.560 6.594 3.830
525 H GLU 68 H GLU 68 4.913 6.017 1.020
526 HA GLU 68 HA GLU 68 3.820 8.131 2.465
527 1HB GLU 68 1HB GLU 68 6.550 7.007 2.108
528 2HB GLU 68 2HB GLU 68 6.441 8.627 2.796
529 1HG GLU 68 1HG GLU 68 4.847 6.268 3.820
530 2HG GLU 68 2HG GLU 68 6.396 6.755 4.499
531 H SER 69 H SER 69 6.165 8.271 -0.217
532 HA SER 69 HA SER 69 6.539 11.007 -0.362
533 1HB SER 69 1HB SER 69 7.700 9.228 -1.732
534 2HB SER 69 2HB SER 69 6.280 9.201 -2.773
535 HG SER 69 HG SER 69 7.273 11.708 -2.205
536 H GLU 70 H GLU 70 3.781 9.116 -1.361
537 HA GLU 70 HA GLU 70 2.570 11.276 -2.867
538 1HB GLU 70 1HB GLU 70 1.369 8.645 -1.973
539 2HB GLU 70 2HB GLU 70 0.719 9.737 -3.196
540 1HG GLU 70 1HG GLU 70 3.491 9.093 -3.763
541 2HG GLU 70 2HG GLU 70 2.530 7.625 -3.616
542 H VAL 71 H VAL 71 1.694 9.468 0.079
543 HA VAL 71 HA VAL 71 -0.248 11.507 0.818
544 HB VAL 71 HB VAL 71 0.502 9.106 2.468
545 1HG1 VAL 71 1HG1 VAL 71 -1.990 10.778 2.046
546 2HG1 VAL 71 2HG1 VAL 71 -1.068 10.572 3.536
547 3HG1 VAL 71 3HG1 VAL 71 -2.013 9.230 2.892
548 1HG2 VAL 71 1HG2 VAL 71 0.170 8.053 0.392
549 2HG2 VAL 71 2HG2 VAL 71 -1.025 9.241 -0.127
550 3HG2 VAL 71 3HG2 VAL 71 -1.451 8.037 1.088
551 H HIS 72 H HIS 72 2.910 11.707 1.014
552 HA HIS 72 HA HIS 72 3.320 12.173 3.833
553 1HB HIS 72 1HB HIS 72 5.280 11.513 2.731
554 2HB HIS 72 2HB HIS 72 4.991 12.589 1.364
555 HD1 HIS 72 HD1 HIS 72 5.613 12.916 5.123
556 HD2 HIS 72 HD2 HIS 72 6.446 14.927 1.567
557 HE1 HIS 72 HE1 HIS 72 7.070 14.894 5.743
558 HE2 HIS 72 HE2 HIS 72 7.584 16.131 3.585
559 H GLY 73 H GLY 73 2.075 13.978 1.194
560 1HA GLY 73 2HA GLY 73 2.671 16.596 2.282
561 2HA GLY 73 1HA GLY 73 1.638 16.246 0.901
562 H ARG 74 H ARG 74 0.361 14.174 2.866
563 HA ARG 74 HA ARG 74 -1.711 14.111 3.836
564 1HB ARG 74 1HB ARG 74 -0.668 16.095 5.784
565 2HB ARG 74 2HB ARG 74 -1.470 14.555 6.058
566 1HG ARG 74 1HG ARG 74 0.639 13.469 5.073
567 2HG ARG 74 2HG ARG 74 1.400 15.046 5.282
568 1HD ARG 74 1HD ARG 74 0.193 13.289 7.428
569 2HD ARG 74 2HD ARG 74 1.878 13.774 7.261
570 HE ARG 74 HE ARG 74 0.125 16.036 7.523
571 1HH1 ARG 74 1HH2 ARG 74 1.773 13.508 9.225
572 2HH1 ARG 74 2HH2 ARG 74 1.861 14.384 10.716
573 1HH2 ARG 74 1HH1 ARG 74 0.235 17.182 9.480
574 2HH2 ARG 74 2HH1 ARG 74 0.993 16.459 10.859
575 H LEU 75 H LEU 75 -2.800 16.168 5.572
576 HA LEU 75 HA LEU 75 -3.915 17.953 3.500
577 1HB LEU 75 1HB LEU 75 -5.036 16.713 5.997
578 2HB LEU 75 2HB LEU 75 -5.731 18.211 5.384
579 HG LEU 75 HG LEU 75 -6.913 16.210 4.507
580 1HD1 LEU 75 1HD1 LEU 75 -7.145 17.047 2.347
581 2HD1 LEU 75 2HD1 LEU 75 -5.422 17.378 2.177
582 3HD1 LEU 75 3HD1 LEU 75 -6.427 18.428 3.174
583 1HD2 LEU 75 1HD2 LEU 75 -4.479 15.575 2.858
584 2HD2 LEU 75 2HD2 LEU 75 -5.846 14.539 3.268
585 3HD2 LEU 75 3HD2 LEU 75 -4.624 14.908 4.484
586 H GLU 76 H GLU 76 -1.535 18.809 4.323
587 HA GLU 76 HA GLU 76 -1.806 20.575 6.622
588 1HB GLU 76 1HB GLU 76 0.528 20.503 4.713
589 2HB GLU 76 2HB GLU 76 0.512 20.969 6.413
590 1HG GLU 76 1HG GLU 76 -0.009 18.170 5.358
591 2HG GLU 76 2HG GLU 76 1.490 18.713 6.106
592 H HIS 77 H HIS 77 -3.697 21.265 4.801
593 HA HIS 77 HA HIS 77 -2.861 23.265 2.944
594 1HB HIS 77 1HB HIS 77 -5.057 21.927 2.951
595 2HB HIS 77 2HB HIS 77 -5.614 23.073 4.169
596 HD1 HIS 77 HD1 HIS 77 -3.354 24.148 1.361
597 HD2 HIS 77 HD2 HIS 77 -7.390 24.393 2.374
598 HE1 HIS 77 HE1 HIS 77 -4.401 25.782 -0.264
599 HE2 HIS 77 HE2 HIS 77 -6.863 25.940 0.338
600 H HIS 78 H HIS 78 -3.767 25.556 3.121
601 HA HIS 78 HA HIS 78 -3.047 26.626 5.774
602 1HB HIS 78 1HB HIS 78 -2.892 27.721 2.980
603 2HB HIS 78 2HB HIS 78 -2.905 28.810 4.367
604 HD1 HIS 78 HD1 HIS 78 -0.883 26.013 2.829
605 HD2 HIS 78 HD2 HIS 78 -0.522 28.855 5.859
606 HE1 HIS 78 HE1 HIS 78 1.530 25.939 3.598
607 HE2 HIS 78 HE2 HIS 78 1.765 27.670 5.443
608 H HIS 79 H HIS 79 -5.117 27.733 3.087
609 HA HIS 79 HA HIS 79 -6.819 29.352 4.525
610 1HB HIS 79 1HB HIS 79 -7.131 27.777 1.999
611 2HB HIS 79 2HB HIS 79 -8.542 28.588 2.680
612 HD1 HIS 79 HD1 HIS 79 -5.102 29.305 1.293
613 HD2 HIS 79 HD2 HIS 79 -8.501 31.404 2.487
614 HE1 HIS 79 HE1 HIS 79 -4.754 31.706 0.565
615 HE2 HIS 79 HE2 HIS 79 -6.815 32.999 1.290
616 H HIS 80 H HIS 80 -8.476 29.099 5.881
617 HA HIS 80 HA HIS 80 -9.037 26.483 6.959
618 1HB HIS 80 1HB HIS 80 -10.295 29.170 7.571
619 2HB HIS 80 2HB HIS 80 -10.495 27.697 8.519
620 HD1 HIS 80 HD1 HIS 80 -8.994 27.653 10.494
621 HD2 HIS 80 HD2 HIS 80 -7.235 29.679 7.303
622 HE1 HIS 80 HE1 HIS 80 -6.728 28.437 11.305
623 HE2 HIS 80 HE2 HIS 80 -5.642 29.672 9.370
624 H HIS 81 H HIS 81 -11.401 25.930 7.408
625 HA HIS 81 HA HIS 81 -12.737 25.568 4.907
626 1HB HIS 81 1HB HIS 81 -12.763 24.003 6.940
627 2HB HIS 81 2HB HIS 81 -13.947 25.110 7.635
628 HD1 HIS 81 HD1 HIS 81 -15.843 25.762 5.498
629 HD2 HIS 81 HD2 HIS 81 -14.146 21.960 5.721
630 HE1 HIS 81 HE1 HIS 81 -17.375 24.217 4.202
631 HE2 HIS 81 HE2 HIS 81 -16.358 21.895 4.334
632 H HIS 82 H HIS 82 -14.381 26.690 4.016
633 HA HIS 82 HA HIS 82 -15.853 28.398 3.617
634 1HB HIS 82 1HB HIS 82 -17.105 27.213 5.418
635 2HB HIS 82 2HB HIS 82 -16.336 28.262 6.607
636 HD1 HIS 82 HD1 HIS 82 -18.898 29.038 7.077
637 HD2 HIS 82 HD2 HIS 82 -17.286 30.187 3.408
638 HE1 HIS 82 HE1 HIS 82 -20.381 30.890 6.191
639 HE2 HIS 82 HE2 HIS 82 -19.413 31.600 3.955
Start of MODEL 6
1 1H MET 1 1HT MET 1 -4.975 9.479 6.757
2 2H MET 1 2HT MET 1 -4.664 8.047 7.615
3 3H MET 1 3HT MET 1 -6.213 8.343 6.987
4 HA MET 1 HA MET 1 -4.457 8.524 4.845
5 1HB MET 1 1HB MET 1 -4.120 5.870 6.244
6 2HB MET 1 2HB MET 1 -3.191 6.528 4.900
7 1HG MET 1 1HG MET 1 -3.072 7.305 7.815
8 2HG MET 1 2HG MET 1 -1.758 6.779 6.765
9 1HE MET 1 1HE MET 1 -1.924 9.179 8.745
10 2HE MET 1 2HE MET 1 -1.223 10.562 7.909
11 3HE MET 1 3HE MET 1 -0.418 8.998 7.835
12 H LYS 2 H LYS 2 -5.367 7.372 3.104
13 HA LYS 2 HA LYS 2 -8.083 6.421 3.612
14 1HB LYS 2 1HB LYS 2 -8.413 6.584 1.220
15 2HB LYS 2 2HB LYS 2 -7.630 8.058 1.784
16 1HG LYS 2 1HG LYS 2 -5.443 6.532 1.189
17 2HG LYS 2 2HG LYS 2 -6.596 5.928 -0.000
18 1HD LYS 2 1HD LYS 2 -5.732 7.725 -1.170
19 2HD LYS 2 2HD LYS 2 -7.074 8.520 -0.349
20 1HE LYS 2 1HE LYS 2 -5.475 9.117 1.512
21 2HE LYS 2 2HE LYS 2 -4.165 8.502 0.502
22 1HZ LYS 2 2HZ LYS 2 -4.110 10.549 -0.340
23 2HZ LYS 2 2HZ LYS 2 -5.620 10.969 0.313
24 3HZ LYS 2 3HZ LYS 2 -5.532 10.141 -1.169
25 H SER 3 H SER 3 -8.020 4.403 4.401
26 HA SER 3 HA SER 3 -6.883 2.235 4.603
27 1HB SER 3 1HB SER 3 -9.188 2.332 2.664
28 2HB SER 3 2HB SER 3 -8.516 0.823 3.275
29 HG SER 3 HG SER 3 -10.254 1.579 4.559
30 H PHE 4 H PHE 4 -4.939 1.645 3.873
31 HA PHE 4 HA PHE 4 -3.780 2.049 1.415
32 1HB PHE 4 1HB PHE 4 -2.591 1.163 3.392
33 2HB PHE 4 2HB PHE 4 -3.422 -0.379 3.193
34 HD1 PHE 4 HD1 PHE 4 -3.091 -1.681 1.024
35 HD2 PHE 4 HD2 PHE 4 -0.654 1.681 2.125
36 HE1 PHE 4 HE1 PHE 4 -1.369 -2.394 -0.609
37 HE2 PHE 4 HE2 PHE 4 1.068 0.967 0.491
38 HZ PHE 4 HZ PHE 4 0.710 -1.070 -0.877
39 H TYR 5 H TYR 5 -6.048 -0.466 2.360
40 HA TYR 5 HA TYR 5 -5.776 -2.193 0.166
41 1HB TYR 5 1HB TYR 5 -7.083 -2.673 2.242
42 2HB TYR 5 2HB TYR 5 -8.326 -1.561 1.670
43 HD1 TYR 5 HD1 TYR 5 -10.075 -2.404 0.361
44 HD2 TYR 5 HD2 TYR 5 -6.337 -4.516 0.493
45 HE1 TYR 5 HE1 TYR 5 -11.049 -4.216 -1.024
46 HE2 TYR 5 HE2 TYR 5 -7.310 -6.327 -0.891
47 HH TYR 5 HH TYR 5 -9.395 -6.344 -2.693
48 H HIS 6 H HIS 6 -7.882 0.650 0.614
49 HA HIS 6 HA HIS 6 -9.147 0.446 -1.928
50 1HB HIS 6 1HB HIS 6 -8.746 2.924 -0.266
51 2HB HIS 6 2HB HIS 6 -9.941 2.681 -1.538
52 HD1 HIS 6 HD1 HIS 6 -10.004 -0.457 -0.035
53 HD2 HIS 6 HD2 HIS 6 -11.352 3.273 1.256
54 HE1 HIS 6 HE1 HIS 6 -11.731 -0.901 1.763
55 HE2 HIS 6 HE2 HIS 6 -12.565 1.363 2.557
56 H TYR 7 H TYR 7 -6.282 2.207 -0.767
57 HA TYR 7 HA TYR 7 -5.830 3.789 -3.030
58 1HB TYR 7 1HB TYR 7 -4.476 4.078 -1.025
59 2HB TYR 7 2HB TYR 7 -3.819 2.450 -1.193
60 HD1 TYR 7 HD1 TYR 7 -3.832 5.870 -2.592
61 HD2 TYR 7 HD2 TYR 7 -2.155 1.924 -2.885
62 HE1 TYR 7 HE1 TYR 7 -2.062 6.732 -4.099
63 HE2 TYR 7 HE2 TYR 7 -0.387 2.789 -4.393
64 HH TYR 7 HH TYR 7 0.595 4.663 -5.186
65 H LEU 8 H LEU 8 -4.777 0.506 -2.246
66 HA LEU 8 HA LEU 8 -3.443 -0.097 -4.637
67 1HB LEU 8 1HB LEU 8 -3.824 -1.410 -2.307
68 2HB LEU 8 2HB LEU 8 -4.986 -2.264 -3.321
69 HG LEU 8 HG LEU 8 -3.119 -2.526 -5.034
70 1HD1 LEU 8 1HD1 LEU 8 -1.330 -1.183 -4.600
71 2HD1 LEU 8 2HD1 LEU 8 -0.848 -2.475 -3.501
72 3HD1 LEU 8 3HD1 LEU 8 -1.710 -1.066 -2.883
73 1HD2 LEU 8 1HD2 LEU 8 -2.603 -3.787 -2.323
74 2HD2 LEU 8 2HD2 LEU 8 -2.174 -4.452 -3.898
75 3HD2 LEU 8 3HD2 LEU 8 -3.869 -4.315 -3.433
76 H LEU 9 H LEU 9 -6.876 -0.099 -3.777
77 HA LEU 9 HA LEU 9 -7.819 -1.626 -5.954
78 1HB LEU 9 1HB LEU 9 -9.007 0.186 -3.967
79 2HB LEU 9 2HB LEU 9 -9.876 0.123 -5.496
80 HG LEU 9 HG LEU 9 -9.025 -2.327 -3.923
81 1HD1 LEU 9 1HD1 LEU 9 -11.340 -2.510 -3.211
82 2HD1 LEU 9 2HD1 LEU 9 -11.782 -1.084 -4.151
83 3HD1 LEU 9 3HD1 LEU 9 -10.735 -0.922 -2.742
84 1HD2 LEU 9 1HD2 LEU 9 -10.342 -1.833 -6.540
85 2HD2 LEU 9 2HD2 LEU 9 -11.084 -3.081 -5.538
86 3HD2 LEU 9 3HD2 LEU 9 -9.389 -3.217 -6.002
87 H LYS 10 H LYS 10 -6.602 1.608 -5.831
88 HA LYS 10 HA LYS 10 -7.903 2.657 -8.131
89 1HB LYS 10 1HB LYS 10 -5.203 3.377 -6.958
90 2HB LYS 10 2HB LYS 10 -6.103 4.337 -8.132
91 1HG LYS 10 1HG LYS 10 -7.989 4.491 -6.497
92 2HG LYS 10 2HG LYS 10 -6.988 3.647 -5.314
93 1HD LYS 10 1HD LYS 10 -5.293 5.439 -5.464
94 2HD LYS 10 2HD LYS 10 -6.294 6.285 -6.643
95 1HE LYS 10 1HE LYS 10 -7.233 5.582 -3.848
96 2HE LYS 10 2HE LYS 10 -6.537 7.143 -4.283
97 1HZ LYS 10 2HZ LYS 10 -9.172 6.209 -4.677
98 2HZ LYS 10 2HZ LYS 10 -8.474 6.573 -6.182
99 3HZ LYS 10 3HZ LYS 10 -8.536 7.755 -4.964
100 H TYR 11 H TYR 11 -5.077 0.631 -7.667
101 HA TYR 11 HA TYR 11 -4.306 0.840 -10.473
102 1HB TYR 11 1HB TYR 11 -3.138 -0.667 -8.122
103 2HB TYR 11 2HB TYR 11 -2.502 -0.760 -9.760
104 HD1 TYR 11 HD1 TYR 11 -3.228 1.584 -6.958
105 HD2 TYR 11 HD2 TYR 11 -1.147 0.982 -10.671
106 HE1 TYR 11 HE1 TYR 11 -1.979 3.695 -6.602
107 HE2 TYR 11 HE2 TYR 11 0.102 3.093 -10.309
108 HH TYR 11 HH TYR 11 0.691 4.485 -7.852
109 H ARG 12 H ARG 12 -6.774 -0.555 -9.106
110 HA ARG 12 HA ARG 12 -7.838 -2.656 -9.184
111 1HB ARG 12 1HB ARG 12 -8.196 -0.958 -11.240
112 2HB ARG 12 2HB ARG 12 -7.630 -2.366 -12.117
113 1HG ARG 12 1HG ARG 12 -9.897 -2.845 -12.037
114 2HG ARG 12 2HG ARG 12 -9.378 -3.620 -10.542
115 1HD ARG 12 1HD ARG 12 -11.375 -2.190 -10.197
116 2HD ARG 12 2HD ARG 12 -9.995 -1.630 -9.258
117 HE ARG 12 HE ARG 12 -9.892 -0.237 -11.654
118 1HH1 ARG 12 1HH2 ARG 12 -12.125 -0.679 -9.040
119 2HH1 ARG 12 2HH2 ARG 12 -12.815 0.903 -9.183
120 1HH2 ARG 12 1HH1 ARG 12 -10.801 1.829 -11.850
121 2HH2 ARG 12 2HH1 ARG 12 -12.067 2.322 -10.775
122 H HIS 13 H HIS 13 -7.550 -4.102 -11.869
123 HA HIS 13 HA HIS 13 -4.969 -5.380 -11.745
124 1HB HIS 13 1HB HIS 13 -5.795 -7.608 -11.118
125 2HB HIS 13 2HB HIS 13 -6.088 -6.450 -9.825
126 HD1 HIS 13 HD1 HIS 13 -8.637 -5.195 -10.255
127 HD2 HIS 13 HD2 HIS 13 -8.055 -9.116 -11.541
128 HE1 HIS 13 HE1 HIS 13 -10.942 -6.216 -10.505
129 HE2 HIS 13 HE2 HIS 13 -10.603 -8.607 -11.287
130 HA PRO 14 HA PRO 14 -7.386 -5.907 -15.697
131 1HB PRO 14 1HB PRO 14 -6.591 -3.774 -17.134
132 2HB PRO 14 2HB PRO 14 -7.871 -3.634 -15.913
133 1HG PRO 14 1HG PRO 14 -5.039 -2.766 -15.788
134 2HG PRO 14 2HG PRO 14 -6.480 -2.043 -15.057
135 1HD PRO 14 1HD PRO 14 -4.607 -3.733 -13.758
136 2HD PRO 14 2HD PRO 14 -6.182 -3.217 -13.129
137 H LYS 15 H LYS 15 -4.724 -4.071 -16.926
138 HA LYS 15 HA LYS 15 -3.328 -6.554 -17.729
139 1HB LYS 15 1HB LYS 15 -3.477 -3.873 -19.134
140 2HB LYS 15 2HB LYS 15 -2.511 -5.246 -19.676
141 1HG LYS 15 1HG LYS 15 -4.376 -6.496 -20.286
142 2HG LYS 15 2HG LYS 15 -5.438 -5.659 -19.155
143 1HD LYS 15 1HD LYS 15 -6.065 -4.882 -21.325
144 2HD LYS 15 2HD LYS 15 -5.124 -3.577 -20.603
145 1HE LYS 15 1HE LYS 15 -4.367 -3.922 -22.894
146 2HE LYS 15 2HE LYS 15 -3.097 -4.446 -21.788
147 1HZ LYS 15 2HZ LYS 15 -3.784 -5.969 -23.733
148 2HZ LYS 15 2HZ LYS 15 -5.107 -6.372 -22.746
149 3HZ LYS 15 3HZ LYS 15 -3.522 -6.654 -22.204
150 HA PRO 16 HA PRO 16 -0.443 -4.262 -14.960
151 1HB PRO 16 1HB PRO 16 0.618 -6.464 -13.762
152 2HB PRO 16 2HB PRO 16 -0.913 -5.730 -13.244
153 1HG PRO 16 1HG PRO 16 -0.445 -8.136 -14.936
154 2HG PRO 16 2HG PRO 16 -1.652 -7.864 -13.668
155 1HD PRO 16 1HD PRO 16 -2.221 -7.678 -16.348
156 2HD PRO 16 2HD PRO 16 -3.109 -6.785 -15.094
157 H LYS 17 H LYS 17 1.860 -4.155 -14.913
158 HA LYS 17 HA LYS 17 3.421 -5.866 -16.671
159 1HB LYS 17 1HB LYS 17 4.397 -3.642 -17.704
160 2HB LYS 17 2HB LYS 17 2.965 -4.394 -18.401
161 1HG LYS 17 1HG LYS 17 1.504 -2.836 -17.359
162 2HG LYS 17 2HG LYS 17 2.762 -2.272 -16.258
163 1HD LYS 17 1HD LYS 17 4.027 -1.365 -18.193
164 2HD LYS 17 2HD LYS 17 2.729 -1.883 -19.267
165 1HE LYS 17 1HE LYS 17 2.242 0.391 -18.848
166 2HE LYS 17 2HE LYS 17 1.175 -0.479 -17.745
167 1HZ LYS 17 2HZ LYS 17 3.549 1.119 -17.168
168 2HZ LYS 17 2HZ LYS 17 3.286 -0.251 -16.200
169 3HZ LYS 17 3HZ LYS 17 2.105 0.967 -16.291
170 H ASP 18 H ASP 18 3.287 -3.002 -14.594
171 HA ASP 18 HA ASP 18 6.095 -3.206 -13.882
172 1HB ASP 18 1HB ASP 18 3.974 -1.501 -12.567
173 2HB ASP 18 2HB ASP 18 5.717 -1.260 -12.533
174 H SER 19 H SER 19 6.832 -3.593 -11.709
175 HA SER 19 HA SER 19 5.881 -5.896 -10.509
176 1HB SER 19 1HB SER 19 7.185 -3.790 -8.825
177 2HB SER 19 2HB SER 19 7.445 -5.530 -8.835
178 HG SER 19 HG SER 19 8.120 -4.921 -11.184
179 H ILE 20 H ILE 20 5.111 -2.525 -9.699
180 HA ILE 20 HA ILE 20 3.545 -3.061 -7.415
181 HB ILE 20 HB ILE 20 4.492 -0.809 -8.320
182 1HG1 ILE 20 1HG1 ILE 20 1.672 -0.863 -7.198
183 2HG1 ILE 20 2HG1 ILE 20 3.117 -1.174 -6.235
184 1HG2 ILE 20 1HG2 ILE 20 3.178 -1.023 -10.488
185 2HG2 ILE 20 2HG2 ILE 20 2.990 0.515 -9.648
186 3HG2 ILE 20 3HG2 ILE 20 1.721 -0.705 -9.545
187 1HD1 ILE 20 1HD1 ILE 20 2.490 1.171 -5.997
188 2HD1 ILE 20 2HD1 ILE 20 2.477 1.376 -7.748
189 3HD1 ILE 20 3HD1 ILE 20 3.997 1.067 -6.908
190 H SER 21 H SER 21 2.716 -2.873 -10.847
191 HA SER 21 HA SER 21 -0.090 -2.974 -10.570
192 1HB SER 21 1HB SER 21 1.413 -4.194 -12.879
193 2HB SER 21 2HB SER 21 -0.163 -3.409 -12.887
194 HG SER 21 HG SER 21 1.588 -1.690 -11.901
195 H GLU 22 H GLU 22 2.293 -5.568 -11.124
196 HA GLU 22 HA GLU 22 0.483 -7.713 -11.194
197 1HB GLU 22 1HB GLU 22 3.242 -7.957 -10.004
198 2HB GLU 22 2HB GLU 22 2.347 -9.130 -10.971
199 1HG GLU 22 1HG GLU 22 2.447 -7.128 -12.759
200 2HG GLU 22 2HG GLU 22 3.904 -6.743 -11.846
201 H PHE 23 H PHE 23 2.063 -6.076 -8.493
202 HA PHE 23 HA PHE 23 1.340 -7.863 -6.436
203 1HB PHE 23 1HB PHE 23 2.974 -6.002 -6.180
204 2HB PHE 23 2HB PHE 23 1.641 -4.852 -6.267
205 HD1 PHE 23 HD1 PHE 23 0.264 -4.405 -4.369
206 HD2 PHE 23 HD2 PHE 23 3.006 -7.712 -4.308
207 HE1 PHE 23 HE1 PHE 23 -0.156 -4.710 -1.946
208 HE2 PHE 23 HE2 PHE 23 2.584 -8.017 -1.885
209 HZ PHE 23 HZ PHE 23 1.003 -6.517 -0.703
210 H ALA 24 H ALA 24 -0.314 -5.089 -7.868
211 HA ALA 24 HA ALA 24 -2.514 -4.892 -6.171
212 1HB ALA 24 1HB ALA 24 -1.890 -3.336 -8.069
213 2HB ALA 24 2HB ALA 24 -3.607 -3.721 -7.951
214 3HB ALA 24 3HB ALA 24 -2.608 -4.513 -9.168
215 H ASN 25 H ASN 25 -2.129 -6.862 -9.120
216 HA ASN 25 HA ASN 25 -4.673 -8.048 -9.135
217 1HB ASN 25 1HB ASN 25 -2.162 -9.489 -9.985
218 2HB ASN 25 2HB ASN 25 -3.787 -9.647 -10.644
219 1HD2 ASN 25 1HD2 ASN 25 -4.503 -8.019 -12.176
220 2HD2 ASN 25 2HD2 ASN 25 -3.451 -6.854 -12.809
221 H GLN 26 H GLN 26 -1.644 -9.198 -7.660
222 HA GLN 26 HA GLN 26 -2.682 -11.591 -6.581
223 1HB GLN 26 1HB GLN 26 -0.228 -10.873 -6.848
224 2HB GLN 26 2HB GLN 26 -0.445 -9.999 -5.333
225 1HG GLN 26 1HG GLN 26 0.380 -12.113 -4.662
226 2HG GLN 26 2HG GLN 26 -1.357 -12.223 -4.390
227 1HE2 GLN 26 1HE2 GLN 26 -1.015 -14.637 -4.625
228 2HE2 GLN 26 2HE2 GLN 26 -0.934 -15.300 -6.186
229 H ALA 27 H ALA 27 -2.166 -8.404 -5.077
230 HA ALA 27 HA ALA 27 -3.104 -9.008 -2.516
231 1HB ALA 27 1HB ALA 27 -1.921 -6.910 -3.177
232 2HB ALA 27 2HB ALA 27 -3.373 -6.621 -2.218
233 3HB ALA 27 3HB ALA 27 -3.404 -6.371 -3.964
234 H TYR 28 H TYR 28 -4.847 -8.331 -5.474
235 HA TYR 28 HA TYR 28 -7.366 -7.680 -4.416
236 1HB TYR 28 1HB TYR 28 -6.648 -7.527 -6.839
237 2HB TYR 28 2HB TYR 28 -6.876 -9.272 -6.942
238 HD1 TYR 28 HD1 TYR 28 -8.591 -6.040 -6.314
239 HD2 TYR 28 HD2 TYR 28 -9.065 -10.250 -7.023
240 HE1 TYR 28 HE1 TYR 28 -11.023 -5.707 -6.657
241 HE2 TYR 28 HE2 TYR 28 -11.497 -9.918 -7.366
242 HH TYR 28 HH TYR 28 -13.117 -8.382 -7.672
243 H GLU 29 H GLU 29 -5.756 -10.767 -4.865
244 HA GLU 29 HA GLU 29 -8.133 -12.301 -4.199
245 1HB GLU 29 1HB GLU 29 -5.364 -13.447 -4.353
246 2HB GLU 29 2HB GLU 29 -6.902 -14.178 -4.795
247 1HG GLU 29 1HG GLU 29 -7.022 -12.321 -6.611
248 2HG GLU 29 2HG GLU 29 -5.294 -12.136 -6.315
249 H ASP 30 H ASP 30 -5.776 -10.636 -2.474
250 HA ASP 30 HA ASP 30 -5.523 -12.495 -0.270
251 1HB ASP 30 1HB ASP 30 -3.719 -10.888 -0.891
252 2HB ASP 30 2HB ASP 30 -4.770 -9.566 -0.393
253 H HIS 31 H HIS 31 -7.794 -12.804 0.157
254 HA HIS 31 HA HIS 31 -9.519 -10.694 0.965
255 1HB HIS 31 1HB HIS 31 -9.571 -13.686 1.321
256 2HB HIS 31 2HB HIS 31 -10.805 -12.652 2.042
257 HD1 HIS 31 HD1 HIS 31 -9.823 -10.978 -0.935
258 HD2 HIS 31 HD2 HIS 31 -12.256 -14.274 -0.161
259 HE1 HIS 31 HE1 HIS 31 -11.299 -11.270 -2.969
260 HE2 HIS 31 HE2 HIS 31 -12.795 -13.270 -2.511
261 H SER 32 H SER 32 -6.762 -11.755 2.422
262 HA SER 32 HA SER 32 -7.758 -11.443 5.172
263 1HB SER 32 1HB SER 32 -4.959 -12.162 4.296
264 2HB SER 32 2HB SER 32 -5.678 -12.368 5.891
265 HG SER 32 HG SER 32 -6.019 -13.839 3.548
266 H PHE 33 H PHE 33 -6.226 -9.682 2.687
267 HA PHE 33 HA PHE 33 -4.449 -7.983 3.914
268 1HB PHE 33 1HB PHE 33 -5.410 -8.046 1.453
269 2HB PHE 33 2HB PHE 33 -6.494 -6.800 2.067
270 HD1 PHE 33 HD1 PHE 33 -3.220 -7.492 0.790
271 HD2 PHE 33 HD2 PHE 33 -5.416 -4.803 3.320
272 HE1 PHE 33 HE1 PHE 33 -1.413 -5.810 0.571
273 HE2 PHE 33 HE2 PHE 33 -3.607 -3.121 3.101
274 HZ PHE 33 HZ PHE 33 -1.606 -3.626 1.727
275 HA PRO 34 HA PRO 34 -7.054 -6.423 7.259
276 1HB PRO 34 1HB PRO 34 -4.745 -4.541 7.479
277 2HB PRO 34 2HB PRO 34 -5.527 -5.523 8.732
278 1HG PRO 34 1HG PRO 34 -3.164 -6.198 7.725
279 2HG PRO 34 2HG PRO 34 -4.371 -7.422 8.154
280 1HD PRO 34 1HD PRO 34 -3.560 -6.450 5.443
281 2HD PRO 34 2HD PRO 34 -4.089 -8.069 5.953
282 H LYS 35 H LYS 35 -8.517 -5.611 5.523
283 HA LYS 35 HA LYS 35 -8.198 -3.126 4.243
284 1HB LYS 35 1HB LYS 35 -10.856 -4.289 5.082
285 2HB LYS 35 2HB LYS 35 -10.503 -3.280 3.679
286 1HG LYS 35 1HG LYS 35 -8.993 -5.133 2.842
287 2HG LYS 35 2HG LYS 35 -9.620 -6.140 4.146
288 1HD LYS 35 1HD LYS 35 -11.432 -4.761 2.153
289 2HD LYS 35 2HD LYS 35 -10.788 -6.380 1.883
290 1HE LYS 35 1HE LYS 35 -12.583 -5.469 4.146
291 2HE LYS 35 2HE LYS 35 -12.950 -6.658 2.897
292 1HZ LYS 35 2HZ LYS 35 -11.254 -6.914 5.270
293 2HZ LYS 35 2HZ LYS 35 -10.816 -7.789 3.880
294 3HZ LYS 35 3HZ LYS 35 -12.341 -8.026 4.591
295 H THR 36 H THR 36 -9.376 -3.980 7.439
296 HA THR 36 HA THR 36 -10.093 -1.179 7.980
297 HB THR 36 HB THR 36 -11.769 -2.839 8.587
298 HG1 THR 36 HG1 THR 36 -10.459 -1.907 10.919
299 1HG2 THR 36 1HG2 THR 36 -11.189 -4.446 10.476
300 2HG2 THR 36 2HG2 THR 36 -9.497 -4.058 10.171
301 3HG2 THR 36 3HG2 THR 36 -10.467 -4.819 8.910
302 H SER 37 H SER 37 -7.362 -1.633 7.666
303 HA SER 37 HA SER 37 -6.272 -0.442 9.949
304 1HB SER 37 1HB SER 37 -6.733 -3.001 10.635
305 2HB SER 37 2HB SER 37 -5.177 -3.213 9.841
306 HG SER 37 HG SER 37 -4.242 -1.915 11.304
307 H THR 38 H THR 38 -4.342 0.443 9.380
308 HA THR 38 HA THR 38 -2.821 -0.810 7.198
309 HB THR 38 HB THR 38 -3.822 0.762 5.843
310 HG1 THR 38 HG1 THR 38 -2.356 2.842 6.507
311 1HG2 THR 38 1HG2 THR 38 -5.351 1.697 7.453
312 2HG2 THR 38 2HG2 THR 38 -4.506 3.042 6.687
313 3HG2 THR 38 3HG2 THR 38 -4.039 2.515 8.304
314 H ASP 39 H ASP 39 -1.019 -1.291 8.207
315 HA ASP 39 HA ASP 39 0.520 0.853 9.467
316 1HB ASP 39 1HB ASP 39 -0.735 -0.280 11.284
317 2HB ASP 39 2HB ASP 39 -0.004 -1.808 10.811
318 H TYR 40 H TYR 40 2.564 0.782 8.760
319 HA TYR 40 HA TYR 40 3.436 -1.049 6.834
320 1HB TYR 40 1HB TYR 40 4.417 1.171 7.057
321 2HB TYR 40 2HB TYR 40 5.069 0.748 8.638
322 HD1 TYR 40 HD1 TYR 40 5.216 -0.101 5.011
323 HD2 TYR 40 HD2 TYR 40 7.103 -0.475 8.855
324 HE1 TYR 40 HE1 TYR 40 7.227 -1.068 3.931
325 HE2 TYR 40 HE2 TYR 40 9.111 -1.443 7.773
326 HH TYR 40 HH TYR 40 9.773 -2.529 5.766
327 H HIS 41 H HIS 41 4.455 -0.815 10.254
328 HA HIS 41 HA HIS 41 6.120 -3.082 10.228
329 1HB HIS 41 1HB HIS 41 5.879 -1.178 11.982
330 2HB HIS 41 2HB HIS 41 4.637 -2.209 12.691
331 HD1 HIS 41 HD1 HIS 41 5.472 -4.771 13.189
332 HD2 HIS 41 HD2 HIS 41 8.458 -1.901 12.712
333 HE1 HIS 41 HE1 HIS 41 7.584 -5.765 14.171
334 HE2 HIS 41 HE2 HIS 41 9.413 -4.027 13.887
335 H GLU 42 H GLU 42 2.748 -2.782 11.378
336 HA GLU 42 HA GLU 42 2.449 -5.468 12.146
337 1HB GLU 42 1HB GLU 42 0.935 -3.299 12.472
338 2HB GLU 42 2HB GLU 42 0.079 -4.004 11.099
339 1HG GLU 42 1HG GLU 42 -0.075 -6.159 12.330
340 2HG GLU 42 2HG GLU 42 0.714 -5.405 13.714
341 H ILE 43 H ILE 43 1.411 -3.876 9.111
342 HA ILE 43 HA ILE 43 0.452 -6.280 7.944
343 HB ILE 43 HB ILE 43 1.243 -3.648 6.676
344 1HG1 ILE 43 1HG1 ILE 43 -1.428 -4.877 7.452
345 2HG1 ILE 43 2HG1 ILE 43 -0.629 -3.552 8.292
346 1HG2 ILE 43 1HG2 ILE 43 -0.156 -6.093 5.545
347 2HG2 ILE 43 2HG2 ILE 43 1.339 -5.361 4.965
348 3HG2 ILE 43 3HG2 ILE 43 -0.192 -4.509 4.772
349 1HD1 ILE 43 1HD1 ILE 43 -2.492 -2.967 6.580
350 2HD1 ILE 43 2HD1 ILE 43 -1.283 -3.341 5.353
351 3HD1 ILE 43 3HD1 ILE 43 -0.990 -2.047 6.514
352 H SER 44 H SER 44 3.569 -4.567 7.663
353 HA SER 44 HA SER 44 4.739 -6.092 5.653
354 1HB SER 44 1HB SER 44 6.898 -5.477 6.593
355 2HB SER 44 2HB SER 44 5.806 -4.101 6.683
356 HG SER 44 HG SER 44 5.331 -5.086 8.885
357 H SER 45 H SER 45 4.461 -6.795 9.119
358 HA SER 45 HA SER 45 6.004 -9.159 9.136
359 1HB SER 45 1HB SER 45 3.729 -8.236 10.905
360 2HB SER 45 2HB SER 45 4.717 -9.654 11.231
361 HG SER 45 HG SER 45 5.894 -7.144 10.722
362 H TYR 46 H TYR 46 2.534 -8.548 8.673
363 HA TYR 46 HA TYR 46 1.688 -11.229 8.506
364 1HB TYR 46 1HB TYR 46 0.202 -9.197 8.691
365 2HB TYR 46 2HB TYR 46 0.516 -8.890 6.983
366 HD1 TYR 46 HD1 TYR 46 -1.183 -11.058 9.402
367 HD2 TYR 46 HD2 TYR 46 -0.280 -10.459 5.245
368 HE1 TYR 46 HE1 TYR 46 -2.936 -12.699 8.784
369 HE2 TYR 46 HE2 TYR 46 -2.033 -12.099 4.627
370 HH TYR 46 HH TYR 46 -3.210 -14.000 5.650
371 H LEU 47 H LEU 47 2.981 -9.011 6.080
372 HA LEU 47 HA LEU 47 2.588 -10.794 3.863
373 1HB LEU 47 1HB LEU 47 4.392 -8.376 4.148
374 2HB LEU 47 2HB LEU 47 4.008 -9.192 2.633
375 HG LEU 47 HG LEU 47 1.891 -8.032 4.463
376 1HD1 LEU 47 1HD1 LEU 47 3.399 -6.792 2.154
377 2HD1 LEU 47 2HD1 LEU 47 3.167 -6.142 3.777
378 3HD1 LEU 47 3HD1 LEU 47 1.809 -6.216 2.655
379 1HD2 LEU 47 1HD2 LEU 47 1.963 -9.223 1.697
380 2HD2 LEU 47 2HD2 LEU 47 0.706 -8.063 2.126
381 3HD2 LEU 47 3HD2 LEU 47 0.856 -9.572 3.025
382 H GLU 48 H GLU 48 5.340 -9.902 5.920
383 HA GLU 48 HA GLU 48 7.283 -11.484 4.602
384 1HB GLU 48 1HB GLU 48 7.081 -10.343 7.387
385 2HB GLU 48 2HB GLU 48 8.454 -11.334 6.889
386 1HG GLU 48 1HG GLU 48 8.862 -9.799 4.991
387 2HG GLU 48 2HG GLU 48 7.517 -8.793 5.522
388 H LEU 49 H LEU 49 5.099 -12.153 7.319
389 HA LEU 49 HA LEU 49 6.122 -14.736 7.914
390 1HB LEU 49 1HB LEU 49 3.402 -13.494 8.398
391 2HB LEU 49 2HB LEU 49 3.894 -15.062 9.039
392 HG LEU 49 HG LEU 49 5.644 -12.663 9.507
393 1HD1 LEU 49 1HD1 LEU 49 3.367 -13.425 11.347
394 2HD1 LEU 49 2HD1 LEU 49 3.218 -12.143 10.147
395 3HD1 LEU 49 3HD1 LEU 49 4.408 -12.004 11.440
396 1HD2 LEU 49 1HD2 LEU 49 6.392 -14.972 10.092
397 2HD2 LEU 49 2HD2 LEU 49 5.004 -15.120 11.171
398 3HD2 LEU 49 3HD2 LEU 49 6.259 -13.928 11.506
399 H ASN 50 H ASN 50 3.661 -13.529 5.700
400 HA ASN 50 HA ASN 50 2.644 -16.070 4.905
401 1HB ASN 50 1HB ASN 50 1.621 -13.714 4.551
402 2HB ASN 50 2HB ASN 50 2.668 -13.630 3.137
403 1HD2 ASN 50 1HD2 ASN 50 -0.170 -13.647 2.851
404 2HD2 ASN 50 2HD2 ASN 50 -0.629 -15.108 2.119
405 H ALA 51 H ALA 51 3.860 -17.595 3.959
406 HA ALA 51 HA ALA 51 6.359 -17.190 2.752
407 1HB ALA 51 1HB ALA 51 6.012 -19.476 1.790
408 2HB ALA 51 2HB ALA 51 4.355 -19.430 2.391
409 3HB ALA 51 3HB ALA 51 5.705 -19.388 3.525
410 H ASP 52 H ASP 52 3.139 -16.869 1.522
411 HA ASP 52 HA ASP 52 3.684 -17.071 -1.257
412 1HB ASP 52 1HB ASP 52 1.500 -15.576 0.216
413 2HB ASP 52 2HB ASP 52 1.518 -15.890 -1.518
414 H TYR 53 H TYR 53 3.430 -14.276 0.939
415 HA TYR 53 HA TYR 53 4.358 -12.482 -1.175
416 1HB TYR 53 1HB TYR 53 3.371 -12.002 1.639
417 2HB TYR 53 2HB TYR 53 3.974 -10.719 0.589
418 HD1 TYR 53 HD1 TYR 53 2.851 -10.332 -1.656
419 HD2 TYR 53 HD2 TYR 53 1.175 -12.872 1.375
420 HE1 TYR 53 HE1 TYR 53 0.640 -10.202 -2.770
421 HE2 TYR 53 HE2 TYR 53 -1.037 -12.744 0.262
422 HH TYR 53 HH TYR 53 -2.114 -12.112 -1.616
423 H LEU 54 H LEU 54 5.797 -14.425 1.146
424 HA LEU 54 HA LEU 54 7.758 -12.897 2.350
425 1HB LEU 54 1HB LEU 54 7.511 -15.262 2.852
426 2HB LEU 54 2HB LEU 54 8.007 -15.694 1.217
427 HG LEU 54 HG LEU 54 10.234 -14.769 1.597
428 1HD1 LEU 54 1HD1 LEU 54 10.708 -14.091 4.081
429 2HD1 LEU 54 2HD1 LEU 54 8.969 -13.815 4.158
430 3HD1 LEU 54 3HD1 LEU 54 9.955 -12.913 3.008
431 1HD2 LEU 54 1HD2 LEU 54 9.388 -16.482 3.957
432 2HD2 LEU 54 2HD2 LEU 54 11.021 -16.330 3.310
433 3HD2 LEU 54 3HD2 LEU 54 9.761 -17.101 2.347
434 H HIS 55 H HIS 55 7.682 -14.176 -0.945
435 HA HIS 55 HA HIS 55 10.246 -12.873 -1.553
436 1HB HIS 55 1HB HIS 55 8.526 -14.634 -3.322
437 2HB HIS 55 2HB HIS 55 10.183 -14.116 -3.637
438 HD1 HIS 55 HD1 HIS 55 8.258 -16.774 -2.046
439 HD2 HIS 55 HD2 HIS 55 12.071 -15.159 -1.579
440 HE1 HIS 55 HE1 HIS 55 9.591 -18.462 -0.709
441 HE2 HIS 55 HE2 HIS 55 11.920 -17.493 -0.417
442 H THR 56 H THR 56 8.206 -11.113 -0.944
443 HA THR 56 HA THR 56 7.852 -9.742 -3.517
444 HB THR 56 HB THR 56 5.559 -9.962 -1.562
445 HG1 THR 56 HG1 THR 56 5.083 -11.360 -3.733
446 1HG2 THR 56 1HG2 THR 56 5.157 -8.154 -2.990
447 2HG2 THR 56 2HG2 THR 56 4.376 -9.479 -3.852
448 3HG2 THR 56 3HG2 THR 56 5.972 -8.921 -4.353
449 H MET 57 H MET 57 8.975 -9.670 -0.457
450 HA MET 57 HA MET 57 8.138 -7.311 0.738
451 1HB MET 57 1HB MET 57 10.694 -8.861 0.742
452 2HB MET 57 2HB MET 57 10.701 -7.246 1.449
453 1HG MET 57 1HG MET 57 10.185 -8.912 3.172
454 2HG MET 57 2HG MET 57 8.780 -7.885 2.887
455 1HE MET 57 1HE MET 57 6.734 -9.083 3.381
456 2HE MET 57 2HE MET 57 6.044 -10.113 2.130
457 3HE MET 57 3HE MET 57 6.670 -8.522 1.705
458 H ALA 58 H ALA 58 10.458 -7.796 -1.874
459 HA ALA 58 HA ALA 58 11.527 -5.209 -2.029
460 1HB ALA 58 1HB ALA 58 11.039 -7.273 -4.189
461 2HB ALA 58 2HB ALA 58 12.528 -7.011 -3.281
462 3HB ALA 58 3HB ALA 58 11.973 -5.796 -4.432
463 H THR 59 H THR 59 8.653 -6.613 -3.570
464 HA THR 59 HA THR 59 7.959 -4.229 -4.995
465 HB THR 59 HB THR 59 6.219 -6.597 -4.269
466 HG1 THR 59 HG1 THR 59 8.190 -6.154 -6.173
467 1HG2 THR 59 1HG2 THR 59 5.935 -4.239 -6.106
468 2HG2 THR 59 2HG2 THR 59 4.737 -4.972 -5.039
469 3HG2 THR 59 3HG2 THR 59 5.184 -5.774 -6.545
470 H PHE 60 H PHE 60 6.781 -5.761 -1.998
471 HA PHE 60 HA PHE 60 4.739 -3.944 -1.396
472 1HB PHE 60 1HB PHE 60 4.972 -6.019 -0.155
473 2HB PHE 60 2HB PHE 60 6.542 -5.512 0.467
474 HD1 PHE 60 HD1 PHE 60 2.941 -4.488 0.371
475 HD2 PHE 60 HD2 PHE 60 6.676 -4.301 2.488
476 HE1 PHE 60 HE1 PHE 60 1.816 -3.333 2.255
477 HE2 PHE 60 HE2 PHE 60 5.548 -3.149 4.372
478 HZ PHE 60 HZ PHE 60 3.119 -2.663 4.255
479 H ASP 61 H ASP 61 8.150 -3.920 -0.363
480 HA ASP 61 HA ASP 61 8.123 -1.588 1.151
481 1HB ASP 61 1HB ASP 61 10.076 -3.001 1.135
482 2HB ASP 61 2HB ASP 61 10.304 -2.752 -0.595
483 H GLU 62 H GLU 62 8.760 -1.976 -2.327
484 HA GLU 62 HA GLU 62 9.135 0.763 -2.902
485 1HB GLU 62 1HB GLU 62 9.772 -1.190 -4.370
486 2HB GLU 62 2HB GLU 62 8.066 -1.346 -4.791
487 1HG GLU 62 1HG GLU 62 8.859 0.022 -6.512
488 2HG GLU 62 2HG GLU 62 8.251 1.210 -5.360
489 H ALA 63 H ALA 63 6.246 -1.307 -3.012
490 HA ALA 63 HA ALA 63 4.481 0.578 -4.131
491 1HB ALA 63 1HB ALA 63 3.665 -1.475 -2.075
492 2HB ALA 63 2HB ALA 63 4.102 -1.930 -3.722
493 3HB ALA 63 3HB ALA 63 2.731 -0.858 -3.439
494 H TRP 64 H TRP 64 5.202 -0.192 -0.726
495 HA TRP 64 HA TRP 64 3.456 1.643 0.469
496 1HB TRP 64 1HB TRP 64 4.820 -0.184 1.612
497 2HB TRP 64 2HB TRP 64 6.181 0.937 1.567
498 HD1 TRP 64 HD1 TRP 64 5.980 3.189 3.001
499 HE1 TRP 64 HE1 TRP 64 4.522 3.792 5.039
500 HE3 TRP 64 HE3 TRP 64 2.520 -0.566 2.760
501 HZ2 TRP 64 HZ2 TRP 64 2.197 2.813 6.391
502 HZ3 TRP 64 HZ3 TRP 64 0.699 -0.706 4.435
503 HH2 TRP 64 HH2 TRP 64 0.532 0.978 6.248
504 H ASP 65 H ASP 65 6.852 2.032 -0.537
505 HA ASP 65 HA ASP 65 7.306 4.624 0.347
506 1HB ASP 65 1HB ASP 65 8.286 3.357 -2.226
507 2HB ASP 65 2HB ASP 65 8.972 4.790 -1.466
508 H GLN 66 H GLN 66 5.772 3.521 -2.651
509 HA GLN 66 HA GLN 66 5.361 6.143 -3.718
510 1HB GLN 66 1HB GLN 66 5.376 3.846 -4.940
511 2HB GLN 66 2HB GLN 66 3.689 3.751 -4.444
512 1HG GLN 66 1HG GLN 66 3.420 4.830 -6.467
513 2HG GLN 66 2HG GLN 66 3.635 6.233 -5.421
514 1HE2 GLN 66 1HE2 GLN 66 5.989 3.886 -6.846
515 2HE2 GLN 66 2HE2 GLN 66 6.967 5.081 -7.550
516 H TYR 67 H TYR 67 3.334 3.839 -1.926
517 HA TYR 67 HA TYR 67 0.906 5.194 -2.007
518 1HB TYR 67 1HB TYR 67 1.004 2.978 -1.084
519 2HB TYR 67 2HB TYR 67 2.121 3.494 0.179
520 HD1 TYR 67 HD1 TYR 67 -1.188 4.646 -1.188
521 HD2 TYR 67 HD2 TYR 67 1.167 3.742 2.288
522 HE1 TYR 67 HE1 TYR 67 -3.112 5.228 0.266
523 HE2 TYR 67 HE2 TYR 67 -0.758 4.325 3.740
524 HH TYR 67 HH TYR 67 -3.834 4.509 2.723
525 H GLU 68 H GLU 68 3.351 5.364 0.593
526 HA GLU 68 HA GLU 68 2.190 7.427 2.068
527 1HB GLU 68 1HB GLU 68 4.030 6.127 2.960
528 2HB GLU 68 2HB GLU 68 5.110 6.722 1.699
529 1HG GLU 68 1HG GLU 68 5.130 8.915 2.583
530 2HG GLU 68 2HG GLU 68 3.692 8.628 3.560
531 H SER 69 H SER 69 4.474 7.581 -0.635
532 HA SER 69 HA SER 69 4.994 10.319 -0.634
533 1HB SER 69 1HB SER 69 6.229 8.726 -2.022
534 2HB SER 69 2HB SER 69 4.791 8.437 -2.997
535 HG SER 69 HG SER 69 6.002 10.977 -2.618
536 H GLU 70 H GLU 70 2.178 8.563 -1.773
537 HA GLU 70 HA GLU 70 1.108 10.835 -3.226
538 1HB GLU 70 1HB GLU 70 -0.265 8.256 -2.432
539 2HB GLU 70 2HB GLU 70 -0.797 9.401 -3.661
540 1HG GLU 70 1HG GLU 70 1.968 8.551 -4.073
541 2HG GLU 70 2HG GLU 70 0.851 7.192 -4.088
542 H VAL 71 H VAL 71 0.777 9.392 -0.049
543 HA VAL 71 HA VAL 71 -1.470 11.146 0.636
544 HB VAL 71 HB VAL 71 -0.081 9.334 2.589
545 1HG1 VAL 71 1HG1 VAL 71 -1.872 10.778 3.413
546 2HG1 VAL 71 2HG1 VAL 71 -2.429 9.106 3.412
547 3HG1 VAL 71 3HG1 VAL 71 -2.953 10.212 2.141
548 1HG2 VAL 71 1HG2 VAL 71 -2.105 7.774 1.582
549 2HG2 VAL 71 2HG2 VAL 71 -0.408 7.607 1.138
550 3HG2 VAL 71 3HG2 VAL 71 -1.499 8.544 0.117
551 H HIS 72 H HIS 72 1.920 11.049 0.780
552 HA HIS 72 HA HIS 72 2.292 12.721 3.097
553 1HB HIS 72 1HB HIS 72 4.016 11.126 2.428
554 2HB HIS 72 2HB HIS 72 4.166 11.907 0.855
555 HD1 HIS 72 HD1 HIS 72 4.152 13.293 4.424
556 HD2 HIS 72 HD2 HIS 72 6.449 13.442 0.949
557 HE1 HIS 72 HE1 HIS 72 6.080 14.860 4.907
558 HE2 HIS 72 HE2 HIS 72 7.490 14.963 2.798
559 H GLY 73 H GLY 73 1.193 13.300 -0.009
560 1HA GLY 73 2HA GLY 73 2.411 15.621 -0.892
561 2HA GLY 73 1HA GLY 73 0.711 15.244 -1.144
562 H ARG 74 H ARG 74 -0.232 15.306 1.476
563 HA ARG 74 HA ARG 74 -0.348 18.161 1.931
564 1HB ARG 74 1HB ARG 74 -1.999 17.520 3.686
565 2HB ARG 74 2HB ARG 74 -2.405 16.895 2.091
566 1HG ARG 74 1HG ARG 74 -1.406 14.714 2.699
567 2HG ARG 74 2HG ARG 74 -1.022 15.341 4.302
568 1HD ARG 74 1HD ARG 74 -3.398 15.702 4.761
569 2HD ARG 74 2HD ARG 74 -3.813 15.172 3.133
570 HE ARG 74 HE ARG 74 -3.474 12.961 3.800
571 1HH1 ARG 74 1HH2 ARG 74 -2.311 15.192 6.191
572 2HH1 ARG 74 2HH2 ARG 74 -2.085 13.979 7.405
573 1HH2 ARG 74 1HH1 ARG 74 -3.178 11.376 5.395
574 2HH2 ARG 74 2HH1 ARG 74 -2.574 11.821 6.955
575 H LEU 75 H LEU 75 0.213 19.219 3.845
576 HA LEU 75 HA LEU 75 2.301 17.856 5.420
577 1HB LEU 75 1HB LEU 75 2.790 20.326 6.102
578 2HB LEU 75 2HB LEU 75 3.287 19.770 4.504
579 HG LEU 75 HG LEU 75 0.535 20.911 4.802
580 1HD1 LEU 75 1HD1 LEU 75 1.982 22.517 6.002
581 2HD1 LEU 75 2HD1 LEU 75 1.404 23.191 4.478
582 3HD1 LEU 75 3HD1 LEU 75 3.057 22.587 4.605
583 1HD2 LEU 75 1HD2 LEU 75 0.709 21.209 2.526
584 2HD2 LEU 75 2HD2 LEU 75 1.886 19.909 2.697
585 3HD2 LEU 75 3HD2 LEU 75 2.430 21.583 2.599
586 H GLU 76 H GLU 76 -0.655 17.723 5.758
587 HA GLU 76 HA GLU 76 -2.095 17.491 7.529
588 1HB GLU 76 1HB GLU 76 -0.008 18.535 9.423
589 2HB GLU 76 2HB GLU 76 -1.269 17.335 9.708
590 1HG GLU 76 1HG GLU 76 0.044 16.037 7.774
591 2HG GLU 76 2HG GLU 76 1.385 17.017 8.363
592 H HIS 77 H HIS 77 -0.070 20.393 7.852
593 HA HIS 77 HA HIS 77 -2.342 21.940 8.828
594 1HB HIS 77 1HB HIS 77 0.445 22.931 8.194
595 2HB HIS 77 2HB HIS 77 -0.768 23.705 9.215
596 HD1 HIS 77 HD1 HIS 77 1.702 20.874 9.170
597 HD2 HIS 77 HD2 HIS 77 -1.037 22.576 11.812
598 HE1 HIS 77 HE1 HIS 77 2.174 19.861 11.443
599 HE2 HIS 77 HE2 HIS 77 0.514 20.891 13.066
600 H HIS 78 H HIS 78 -2.909 23.991 7.812
601 HA HIS 78 HA HIS 78 -3.015 23.713 4.901
602 1HB HIS 78 1HB HIS 78 -4.618 25.681 5.121
603 2HB HIS 78 2HB HIS 78 -5.136 24.175 5.872
604 HD1 HIS 78 HD1 HIS 78 -6.572 25.346 7.668
605 HD2 HIS 78 HD2 HIS 78 -2.565 26.496 7.759
606 HE1 HIS 78 HE1 HIS 78 -6.245 26.636 9.822
607 HE2 HIS 78 HE2 HIS 78 -3.809 27.340 9.893
608 H HIS 79 H HIS 79 -0.569 24.579 6.437
609 HA HIS 79 HA HIS 79 1.196 25.994 6.045
610 1HB HIS 79 1HB HIS 79 0.253 25.790 3.630
611 2HB HIS 79 2HB HIS 79 -0.384 27.408 3.913
612 HD1 HIS 79 HD1 HIS 79 1.510 29.206 4.781
613 HD2 HIS 79 HD2 HIS 79 2.906 25.786 2.848
614 HE1 HIS 79 HE1 HIS 79 3.882 29.714 4.052
615 HE2 HIS 79 HE2 HIS 79 4.747 27.638 2.871
616 H HIS 80 H HIS 80 1.601 27.455 7.561
617 HA HIS 80 HA HIS 80 -0.397 29.554 8.117
618 1HB HIS 80 1HB HIS 80 1.744 28.224 9.750
619 2HB HIS 80 2HB HIS 80 1.156 29.825 10.203
620 HD1 HIS 80 HD1 HIS 80 -1.452 30.022 10.708
621 HD2 HIS 80 HD2 HIS 80 -0.013 26.124 10.355
622 HE1 HIS 80 HE1 HIS 80 -3.232 28.509 11.685
623 HE2 HIS 80 HE2 HIS 80 -2.367 26.131 11.485
624 H HIS 81 H HIS 81 2.939 29.795 9.073
625 HA HIS 81 HA HIS 81 3.730 31.548 6.918
626 1HB HIS 81 1HB HIS 81 2.319 33.054 8.302
627 2HB HIS 81 2HB HIS 81 3.352 32.714 9.691
628 HD1 HIS 81 HD1 HIS 81 4.561 33.283 6.140
629 HD2 HIS 81 HD2 HIS 81 4.671 35.176 9.852
630 HE1 HIS 81 HE1 HIS 81 6.126 35.257 5.890
631 HE2 HIS 81 HE2 HIS 81 6.206 36.421 8.146
632 H HIS 82 H HIS 82 4.325 30.445 10.232
633 HA HIS 82 HA HIS 82 7.227 30.584 9.793
634 1HB HIS 82 1HB HIS 82 7.274 29.925 12.261
635 2HB HIS 82 2HB HIS 82 6.612 31.516 11.890
636 HD1 HIS 82 HD1 HIS 82 5.217 27.964 12.193
637 HD2 HIS 82 HD2 HIS 82 4.200 31.888 13.166
638 HE1 HIS 82 HE1 HIS 82 2.989 27.850 13.390
639 HE2 HIS 82 HE2 HIS 82 2.353 30.235 13.988
Start of MODEL 7
1 1H MET 1 1HT MET 1 -7.028 9.393 6.340
2 2H MET 1 2HT MET 1 -6.509 7.794 6.585
3 3H MET 1 3HT MET 1 -7.322 8.216 5.155
4 HA MET 1 HA MET 1 -5.332 9.915 4.963
5 1HB MET 1 1HB MET 1 -3.272 8.934 5.800
6 2HB MET 1 2HB MET 1 -4.397 9.108 7.145
7 1HG MET 1 1HG MET 1 -5.067 6.617 6.310
8 2HG MET 1 2HG MET 1 -3.366 6.642 5.848
9 1HE MET 1 1HE MET 1 -1.460 6.705 7.221
10 2HE MET 1 2HE MET 1 -1.360 6.980 8.959
11 3HE MET 1 3HE MET 1 -1.792 8.310 7.887
12 H LYS 2 H LYS 2 -7.158 7.949 3.717
13 HA LYS 2 HA LYS 2 -7.273 6.824 1.722
14 1HB LYS 2 1HB LYS 2 -5.324 8.624 1.288
15 2HB LYS 2 2HB LYS 2 -4.379 7.146 1.124
16 1HG LYS 2 1HG LYS 2 -5.569 6.425 -0.731
17 2HG LYS 2 2HG LYS 2 -7.026 7.309 -0.272
18 1HD LYS 2 1HD LYS 2 -6.290 9.285 -1.195
19 2HD LYS 2 2HD LYS 2 -4.591 8.921 -0.885
20 1HE LYS 2 1HE LYS 2 -5.304 8.859 -3.338
21 2HE LYS 2 2HE LYS 2 -4.471 7.423 -2.745
22 1HZ LYS 2 2HZ LYS 2 -6.724 7.261 -4.062
23 2HZ LYS 2 2HZ LYS 2 -7.385 7.503 -2.516
24 3HZ LYS 2 3HZ LYS 2 -6.355 6.183 -2.806
25 H SER 3 H SER 3 -7.627 4.737 2.229
26 HA SER 3 HA SER 3 -5.827 3.027 3.574
27 1HB SER 3 1HB SER 3 -7.878 2.055 3.677
28 2HB SER 3 2HB SER 3 -8.398 2.756 2.148
29 HG SER 3 HG SER 3 -6.703 0.508 2.544
30 H PHE 4 H PHE 4 -4.225 1.705 2.877
31 HA PHE 4 HA PHE 4 -2.877 2.188 0.483
32 1HB PHE 4 1HB PHE 4 -1.959 1.047 2.544
33 2HB PHE 4 2HB PHE 4 -2.793 -0.415 2.022
34 HD1 PHE 4 HD1 PHE 4 0.055 1.792 1.460
35 HD2 PHE 4 HD2 PHE 4 -2.199 -1.487 -0.167
36 HE1 PHE 4 HE1 PHE 4 1.923 1.270 -0.084
37 HE2 PHE 4 HE2 PHE 4 -0.330 -2.005 -1.710
38 HZ PHE 4 HZ PHE 4 1.730 -0.627 -1.670
39 H TYR 5 H TYR 5 -5.235 -0.334 1.298
40 HA TYR 5 HA TYR 5 -5.082 -1.774 -1.125
41 1HB TYR 5 1HB TYR 5 -6.139 -2.729 0.846
42 2HB TYR 5 2HB TYR 5 -7.375 -1.471 0.829
43 HD1 TYR 5 HD1 TYR 5 -9.410 -1.957 -0.202
44 HD2 TYR 5 HD2 TYR 5 -5.866 -4.017 -1.489
45 HE1 TYR 5 HE1 TYR 5 -10.767 -3.305 -1.780
46 HE2 TYR 5 HE2 TYR 5 -7.224 -5.364 -3.067
47 HH TYR 5 HH TYR 5 -10.528 -5.612 -2.899
48 H HIS 6 H HIS 6 -7.127 0.956 -0.127
49 HA HIS 6 HA HIS 6 -8.754 0.996 -2.453
50 1HB HIS 6 1HB HIS 6 -8.067 3.051 -0.381
51 2HB HIS 6 2HB HIS 6 -9.094 3.431 -1.763
52 HD1 HIS 6 HD1 HIS 6 -8.935 0.533 0.733
53 HD2 HIS 6 HD2 HIS 6 -11.733 3.039 -1.078
54 HE1 HIS 6 HE1 HIS 6 -11.205 -0.173 1.611
55 HE2 HIS 6 HE2 HIS 6 -12.920 1.346 0.515
56 H TYR 7 H TYR 7 -5.858 2.887 -1.548
57 HA TYR 7 HA TYR 7 -5.694 4.398 -3.911
58 1HB TYR 7 1HB TYR 7 -4.241 5.020 -2.115
59 2HB TYR 7 2HB TYR 7 -3.574 3.392 -1.997
60 HD1 TYR 7 HD1 TYR 7 -4.164 5.744 -4.870
61 HD2 TYR 7 HD2 TYR 7 -1.340 3.363 -2.677
62 HE1 TYR 7 HE1 TYR 7 -2.394 6.342 -6.500
63 HE2 TYR 7 HE2 TYR 7 0.430 3.964 -4.304
64 HH TYR 7 HH TYR 7 0.613 6.265 -6.055
65 H LEU 8 H LEU 8 -4.182 1.333 -2.991
66 HA LEU 8 HA LEU 8 -3.014 0.698 -5.462
67 1HB LEU 8 1HB LEU 8 -2.731 -0.431 -3.142
68 2HB LEU 8 2HB LEU 8 -4.143 -1.381 -3.600
69 HG LEU 8 HG LEU 8 -2.807 -1.782 -5.830
70 1HD1 LEU 8 1HD1 LEU 8 -0.628 -1.031 -3.856
71 2HD1 LEU 8 2HD1 LEU 8 -0.989 -0.219 -5.379
72 3HD1 LEU 8 3HD1 LEU 8 -0.345 -1.860 -5.387
73 1HD2 LEU 8 1HD2 LEU 8 -2.271 -3.055 -3.139
74 2HD2 LEU 8 2HD2 LEU 8 -1.565 -3.693 -4.624
75 3HD2 LEU 8 3HD2 LEU 8 -3.318 -3.639 -4.433
76 H LEU 9 H LEU 9 -6.346 0.534 -4.340
77 HA LEU 9 HA LEU 9 -7.307 -1.403 -6.156
78 1HB LEU 9 1HB LEU 9 -8.447 0.429 -4.292
79 2HB LEU 9 2HB LEU 9 -9.322 0.581 -5.812
80 HG LEU 9 HG LEU 9 -8.759 -2.027 -4.363
81 1HD1 LEU 9 1HD1 LEU 9 -11.314 -0.417 -4.674
82 2HD1 LEU 9 2HD1 LEU 9 -10.407 -0.646 -3.177
83 3HD1 LEU 9 3HD1 LEU 9 -11.204 -2.020 -3.944
84 1HD2 LEU 9 1HD2 LEU 9 -10.594 -2.762 -6.072
85 2HD2 LEU 9 2HD2 LEU 9 -8.935 -2.592 -6.642
86 3HD2 LEU 9 3HD2 LEU 9 -10.112 -1.319 -6.964
87 H LYS 10 H LYS 10 -6.334 1.888 -6.654
88 HA LYS 10 HA LYS 10 -7.752 2.322 -9.108
89 1HB LYS 10 1HB LYS 10 -6.849 4.166 -7.690
90 2HB LYS 10 2HB LYS 10 -5.217 3.657 -8.120
91 1HG LYS 10 1HG LYS 10 -5.516 4.227 -10.401
92 2HG LYS 10 2HG LYS 10 -7.270 4.311 -10.238
93 1HD LYS 10 1HD LYS 10 -7.114 6.314 -8.889
94 2HD LYS 10 2HD LYS 10 -5.355 6.185 -8.818
95 1HE LYS 10 1HE LYS 10 -5.145 6.631 -11.172
96 2HE LYS 10 2HE LYS 10 -6.886 6.485 -11.414
97 1HZ LYS 10 2HZ LYS 10 -7.052 8.385 -9.753
98 2HZ LYS 10 2HZ LYS 10 -6.499 8.762 -11.316
99 3HZ LYS 10 3HZ LYS 10 -5.397 8.626 -10.030
100 H TYR 11 H TYR 11 -4.992 0.538 -8.221
101 HA TYR 11 HA TYR 11 -3.910 0.437 -10.941
102 1HB TYR 11 1HB TYR 11 -2.903 -0.368 -8.227
103 2HB TYR 11 2HB TYR 11 -2.234 -1.139 -9.662
104 HD1 TYR 11 HD1 TYR 11 -2.765 2.121 -7.963
105 HD2 TYR 11 HD2 TYR 11 -0.774 0.043 -11.155
106 HE1 TYR 11 HE1 TYR 11 -1.334 4.107 -8.367
107 HE2 TYR 11 HE2 TYR 11 0.654 2.029 -11.557
108 HH TYR 11 HH TYR 11 1.200 4.067 -10.877
109 H ARG 12 H ARG 12 -6.414 -0.530 -10.745
110 HA ARG 12 HA ARG 12 -7.032 -3.060 -10.039
111 1HB ARG 12 1HB ARG 12 -7.723 -1.572 -12.570
112 2HB ARG 12 2HB ARG 12 -8.441 -3.126 -12.154
113 1HG ARG 12 1HG ARG 12 -9.004 -2.034 -9.871
114 2HG ARG 12 2HG ARG 12 -8.678 -0.503 -10.685
115 1HD ARG 12 1HD ARG 12 -11.066 -1.011 -10.816
116 2HD ARG 12 2HD ARG 12 -10.349 -1.096 -12.423
117 HE ARG 12 HE ARG 12 -10.300 -3.660 -11.200
118 1HH1 ARG 12 1HH2 ARG 12 -12.437 -1.329 -12.620
119 2HH1 ARG 12 2HH2 ARG 12 -13.581 -2.511 -13.162
120 1HH2 ARG 12 1HH1 ARG 12 -11.793 -5.204 -11.905
121 2HH2 ARG 12 2HH1 ARG 12 -13.216 -4.705 -12.757
122 H HIS 13 H HIS 13 -7.158 -5.070 -11.210
123 HA HIS 13 HA HIS 13 -4.618 -5.913 -12.139
124 1HB HIS 13 1HB HIS 13 -6.458 -7.929 -12.811
125 2HB HIS 13 2HB HIS 13 -5.450 -7.846 -11.374
126 HD1 HIS 13 HD1 HIS 13 -6.724 -5.809 -9.630
127 HD2 HIS 13 HD2 HIS 13 -9.027 -8.408 -11.938
128 HE1 HIS 13 HE1 HIS 13 -9.031 -5.838 -8.593
129 HE2 HIS 13 HE2 HIS 13 -10.441 -7.430 -9.975
130 HA PRO 14 HA PRO 14 -7.287 -6.671 -16.358
131 1HB PRO 14 1HB PRO 14 -8.474 -3.939 -16.003
132 2HB PRO 14 2HB PRO 14 -9.123 -5.345 -16.866
133 1HG PRO 14 1HG PRO 14 -9.909 -4.628 -14.375
134 2HG PRO 14 2HG PRO 14 -9.946 -6.291 -14.977
135 1HD PRO 14 1HD PRO 14 -8.255 -5.161 -12.892
136 2HD PRO 14 2HD PRO 14 -8.441 -6.858 -13.375
137 H LYS 15 H LYS 15 -5.655 -6.453 -17.745
138 HA LYS 15 HA LYS 15 -4.111 -5.528 -19.152
139 1HB LYS 15 1HB LYS 15 -6.053 -3.795 -19.333
140 2HB LYS 15 2HB LYS 15 -4.991 -2.765 -18.374
141 1HG LYS 15 1HG LYS 15 -3.193 -3.057 -20.045
142 2HG LYS 15 2HG LYS 15 -4.253 -4.091 -21.002
143 1HD LYS 15 1HD LYS 15 -4.511 -1.991 -22.028
144 2HD LYS 15 2HD LYS 15 -5.900 -2.073 -20.945
145 1HE LYS 15 1HE LYS 15 -4.664 -0.779 -19.248
146 2HE LYS 15 2HE LYS 15 -3.264 -0.706 -20.317
147 1HZ LYS 15 2HZ LYS 15 -5.931 0.513 -20.727
148 2HZ LYS 15 2HZ LYS 15 -4.797 0.353 -21.981
149 3HZ LYS 15 3HZ LYS 15 -4.431 1.298 -20.617
150 HA PRO 16 HA PRO 16 -1.531 -4.279 -15.401
151 1HB PRO 16 1HB PRO 16 -0.110 -6.604 -15.131
152 2HB PRO 16 2HB PRO 16 -1.637 -6.295 -14.282
153 1HG PRO 16 1HG PRO 16 -1.119 -7.925 -16.714
154 2HG PRO 16 2HG PRO 16 -2.235 -8.220 -15.371
155 1HD PRO 16 1HD PRO 16 -3.029 -7.236 -17.812
156 2HD PRO 16 2HD PRO 16 -3.902 -6.928 -16.301
157 H LYS 17 H LYS 17 0.785 -3.801 -15.526
158 HA LYS 17 HA LYS 17 2.175 -4.591 -17.981
159 1HB LYS 17 1HB LYS 17 1.332 -1.777 -17.333
160 2HB LYS 17 2HB LYS 17 2.761 -2.091 -18.319
161 1HG LYS 17 1HG LYS 17 1.324 -3.526 -19.812
162 2HG LYS 17 2HG LYS 17 -0.080 -2.979 -18.896
163 1HD LYS 17 1HD LYS 17 1.850 -1.027 -20.159
164 2HD LYS 17 2HD LYS 17 0.479 -1.684 -21.050
165 1HE LYS 17 1HE LYS 17 -0.518 0.204 -20.164
166 2HE LYS 17 2HE LYS 17 -0.846 -0.936 -18.859
167 1HZ LYS 17 2HZ LYS 17 0.568 0.101 -17.491
168 2HZ LYS 17 2HZ LYS 17 0.406 1.419 -18.551
169 3HZ LYS 17 3HZ LYS 17 1.728 0.362 -18.700
170 H ASP 18 H ASP 18 2.531 -2.126 -15.409
171 HA ASP 18 HA ASP 18 5.366 -2.641 -15.212
172 1HB ASP 18 1HB ASP 18 3.873 -0.446 -14.747
173 2HB ASP 18 2HB ASP 18 3.980 -1.072 -13.104
174 H SER 19 H SER 19 6.439 -3.188 -13.192
175 HA SER 19 HA SER 19 5.649 -5.600 -12.081
176 1HB SER 19 1HB SER 19 7.289 -5.016 -10.254
177 2HB SER 19 2HB SER 19 7.927 -4.888 -11.888
178 HG SER 19 HG SER 19 7.968 -2.757 -11.718
179 H ILE 20 H ILE 20 5.172 -2.302 -10.846
180 HA ILE 20 HA ILE 20 3.940 -3.008 -8.408
181 HB ILE 20 HB ILE 20 4.805 -0.690 -9.299
182 1HG1 ILE 20 1HG1 ILE 20 2.247 -0.782 -7.672
183 2HG1 ILE 20 2HG1 ILE 20 3.820 -1.253 -7.029
184 1HG2 ILE 20 1HG2 ILE 20 3.108 0.763 -10.191
185 2HG2 ILE 20 2HG2 ILE 20 1.855 -0.455 -9.955
186 3HG2 ILE 20 3HG2 ILE 20 3.099 -0.695 -11.182
187 1HD1 ILE 20 1HD1 ILE 20 2.854 1.465 -7.862
188 2HD1 ILE 20 2HD1 ILE 20 4.576 1.097 -7.952
189 3HD1 ILE 20 3HD1 ILE 20 3.732 0.992 -6.408
190 H SER 21 H SER 21 2.718 -2.609 -11.673
191 HA SER 21 HA SER 21 -0.048 -2.673 -11.078
192 1HB SER 21 1HB SER 21 1.270 -2.149 -13.320
193 2HB SER 21 2HB SER 21 0.997 -3.863 -13.615
194 HG SER 21 HG SER 21 -1.258 -3.392 -13.085
195 H GLU 22 H GLU 22 2.246 -5.226 -12.025
196 HA GLU 22 HA GLU 22 0.457 -7.387 -12.013
197 1HB GLU 22 1HB GLU 22 3.370 -7.504 -11.200
198 2HB GLU 22 2HB GLU 22 2.398 -8.804 -11.887
199 1HG GLU 22 1HG GLU 22 2.056 -6.988 -13.832
200 2HG GLU 22 2HG GLU 22 3.614 -6.431 -13.227
201 H PHE 23 H PHE 23 2.306 -5.875 -9.409
202 HA PHE 23 HA PHE 23 1.784 -7.763 -7.381
203 1HB PHE 23 1HB PHE 23 3.442 -5.889 -7.230
204 2HB PHE 23 2HB PHE 23 2.096 -4.764 -7.066
205 HD1 PHE 23 HD1 PHE 23 0.638 -4.815 -5.069
206 HD2 PHE 23 HD2 PHE 23 4.072 -7.375 -5.421
207 HE1 PHE 23 HE1 PHE 23 0.542 -5.279 -2.635
208 HE2 PHE 23 HE2 PHE 23 3.974 -7.839 -2.987
209 HZ PHE 23 HZ PHE 23 2.210 -6.790 -1.594
210 H ALA 24 H ALA 24 0.024 -4.901 -8.485
211 HA ALA 24 HA ALA 24 -2.013 -4.815 -6.587
212 1HB ALA 24 1HB ALA 24 -1.439 -3.234 -8.600
213 2HB ALA 24 2HB ALA 24 -3.102 -3.358 -8.025
214 3HB ALA 24 3HB ALA 24 -2.599 -4.241 -9.468
215 H ASN 25 H ASN 25 -1.859 -6.656 -9.642
216 HA ASN 25 HA ASN 25 -4.439 -7.740 -9.596
217 1HB ASN 25 1HB ASN 25 -1.917 -9.108 -10.578
218 2HB ASN 25 2HB ASN 25 -3.567 -9.519 -11.032
219 1HD2 ASN 25 1HD2 ASN 25 -4.110 -8.661 -13.061
220 2HD2 ASN 25 2HD2 ASN 25 -3.518 -7.198 -13.679
221 H GLN 26 H GLN 26 -1.422 -9.026 -8.223
222 HA GLN 26 HA GLN 26 -2.553 -11.362 -7.085
223 1HB GLN 26 1HB GLN 26 -0.099 -10.915 -7.501
224 2HB GLN 26 2HB GLN 26 -0.123 -9.866 -6.085
225 1HG GLN 26 1HG GLN 26 -1.108 -11.872 -4.815
226 2HG GLN 26 2HG GLN 26 -0.629 -12.842 -6.205
227 1HE2 GLN 26 1HE2 GLN 26 0.937 -10.216 -4.265
228 2HE2 GLN 26 2HE2 GLN 26 2.407 -11.043 -4.080
229 H ALA 27 H ALA 27 -1.739 -8.206 -5.650
230 HA ALA 27 HA ALA 27 -2.553 -8.714 -3.029
231 1HB ALA 27 1HB ALA 27 -2.850 -6.208 -2.900
232 2HB ALA 27 2HB ALA 27 -2.498 -6.154 -4.627
233 3HB ALA 27 3HB ALA 27 -1.281 -6.748 -3.497
234 H TYR 28 H TYR 28 -4.457 -7.792 -5.844
235 HA TYR 28 HA TYR 28 -6.817 -7.005 -4.538
236 1HB TYR 28 1HB TYR 28 -6.471 -6.590 -6.908
237 2HB TYR 28 2HB TYR 28 -6.449 -8.323 -7.238
238 HD1 TYR 28 HD1 TYR 28 -8.599 -5.628 -5.773
239 HD2 TYR 28 HD2 TYR 28 -8.452 -9.469 -7.694
240 HE1 TYR 28 HE1 TYR 28 -11.071 -5.624 -5.969
241 HE2 TYR 28 HE2 TYR 28 -10.922 -9.464 -7.891
242 HH TYR 28 HH TYR 28 -12.753 -7.528 -7.988
243 H GLU 29 H GLU 29 -5.476 -10.165 -5.160
244 HA GLU 29 HA GLU 29 -7.950 -11.565 -4.599
245 1HB GLU 29 1HB GLU 29 -5.196 -12.779 -4.750
246 2HB GLU 29 2HB GLU 29 -6.750 -13.531 -5.099
247 1HG GLU 29 1HG GLU 29 -7.031 -11.940 -7.016
248 2HG GLU 29 2HG GLU 29 -5.399 -11.353 -6.710
249 H ASP 30 H ASP 30 -5.620 -10.061 -2.723
250 HA ASP 30 HA ASP 30 -5.573 -11.995 -0.564
251 1HB ASP 30 1HB ASP 30 -3.684 -10.383 -1.120
252 2HB ASP 30 2HB ASP 30 -4.691 -9.106 -0.442
253 H HIS 31 H HIS 31 -7.864 -12.195 -0.275
254 HA HIS 31 HA HIS 31 -9.577 -10.056 0.411
255 1HB HIS 31 1HB HIS 31 -10.923 -11.974 1.518
256 2HB HIS 31 2HB HIS 31 -10.667 -12.032 -0.224
257 HD1 HIS 31 HD1 HIS 31 -8.193 -12.993 2.503
258 HD2 HIS 31 HD2 HIS 31 -10.305 -14.762 -0.626
259 HE1 HIS 31 HE1 HIS 31 -7.348 -15.373 2.324
260 HE2 HIS 31 HE2 HIS 31 -8.627 -16.466 0.421
261 H SER 32 H SER 32 -6.992 -11.378 2.112
262 HA SER 32 HA SER 32 -8.109 -10.740 4.753
263 1HB SER 32 1HB SER 32 -6.116 -11.820 5.641
264 2HB SER 32 2HB SER 32 -6.871 -12.868 4.444
265 HG SER 32 HG SER 32 -5.245 -12.531 3.104
266 H PHE 33 H PHE 33 -6.505 -9.170 2.294
267 HA PHE 33 HA PHE 33 -4.462 -7.709 3.445
268 1HB PHE 33 1HB PHE 33 -5.325 -7.655 1.025
269 2HB PHE 33 2HB PHE 33 -6.479 -6.448 1.590
270 HD1 PHE 33 HD1 PHE 33 -5.692 -4.274 2.492
271 HD2 PHE 33 HD2 PHE 33 -2.966 -7.154 0.837
272 HE1 PHE 33 HE1 PHE 33 -3.938 -2.529 2.344
273 HE2 PHE 33 HE2 PHE 33 -1.213 -5.409 0.690
274 HZ PHE 33 HZ PHE 33 -1.697 -3.096 1.444
275 HA PRO 34 HA PRO 34 -6.631 -5.394 6.572
276 1HB PRO 34 1HB PRO 34 -4.592 -3.738 7.303
277 2HB PRO 34 2HB PRO 34 -4.650 -5.450 7.758
278 1HG PRO 34 1HG PRO 34 -3.098 -4.122 5.595
279 2HG PRO 34 2HG PRO 34 -2.620 -5.430 6.689
280 1HD PRO 34 1HD PRO 34 -3.409 -5.847 4.087
281 2HD PRO 34 2HD PRO 34 -3.583 -7.062 5.372
282 H LYS 35 H LYS 35 -7.526 -4.636 4.174
283 HA LYS 35 HA LYS 35 -6.896 -2.112 3.167
284 1HB LYS 35 1HB LYS 35 -9.348 -2.120 2.408
285 2HB LYS 35 2HB LYS 35 -8.337 -3.456 1.861
286 1HG LYS 35 1HG LYS 35 -9.283 -4.966 3.420
287 2HG LYS 35 2HG LYS 35 -9.972 -3.666 4.392
288 1HD LYS 35 1HD LYS 35 -10.857 -3.794 1.555
289 2HD LYS 35 2HD LYS 35 -11.424 -5.090 2.609
290 1HE LYS 35 1HE LYS 35 -12.495 -3.570 4.085
291 2HE LYS 35 2HE LYS 35 -11.631 -2.186 3.416
292 1HZ LYS 35 2HZ LYS 35 -13.972 -2.407 2.658
293 2HZ LYS 35 2HZ LYS 35 -13.536 -3.843 1.862
294 3HZ LYS 35 3HZ LYS 35 -12.837 -2.365 1.397
295 H THR 36 H THR 36 -8.609 -3.010 6.042
296 HA THR 36 HA THR 36 -9.608 -0.275 6.431
297 HB THR 36 HB THR 36 -11.153 -2.186 6.800
298 HG1 THR 36 HG1 THR 36 -11.907 -0.705 8.067
299 1HG2 THR 36 1HG2 THR 36 -9.081 -3.522 7.844
300 2HG2 THR 36 2HG2 THR 36 -10.745 -3.881 8.304
301 3HG2 THR 36 3HG2 THR 36 -9.743 -2.865 9.339
302 H SER 37 H SER 37 -6.748 -0.870 6.575
303 HA SER 37 HA SER 37 -6.046 0.619 8.839
304 1HB SER 37 1HB SER 37 -6.737 -1.862 9.708
305 2HB SER 37 2HB SER 37 -5.032 -2.118 9.364
306 HG SER 37 HG SER 37 -4.589 -0.291 10.670
307 H THR 38 H THR 38 -4.509 1.648 7.687
308 HA THR 38 HA THR 38 -2.503 0.025 6.266
309 HB THR 38 HB THR 38 -3.584 1.642 4.821
310 HG1 THR 38 HG1 THR 38 -1.143 1.374 4.989
311 1HG2 THR 38 1HG2 THR 38 -2.573 3.997 6.323
312 2HG2 THR 38 2HG2 THR 38 -3.969 3.175 7.018
313 3HG2 THR 38 3HG2 THR 38 -4.050 3.813 5.377
314 H ASP 39 H ASP 39 -0.871 -0.425 7.542
315 HA ASP 39 HA ASP 39 0.551 1.762 8.860
316 1HB ASP 39 1HB ASP 39 -0.645 1.059 10.731
317 2HB ASP 39 2HB ASP 39 -0.660 -0.624 10.221
318 H TYR 40 H TYR 40 2.636 1.625 8.366
319 HA TYR 40 HA TYR 40 3.751 -0.233 6.668
320 1HB TYR 40 1HB TYR 40 4.774 1.942 7.169
321 2HB TYR 40 2HB TYR 40 5.186 1.380 8.789
322 HD1 TYR 40 HD1 TYR 40 7.246 0.320 9.157
323 HD2 TYR 40 HD2 TYR 40 5.625 0.456 5.181
324 HE1 TYR 40 HE1 TYR 40 9.323 -0.705 8.274
325 HE2 TYR 40 HE2 TYR 40 7.702 -0.569 4.297
326 HH TYR 40 HH TYR 40 10.436 -0.570 5.578
327 H HIS 41 H HIS 41 4.099 -0.169 10.224
328 HA HIS 41 HA HIS 41 5.689 -2.473 10.431
329 1HB HIS 41 1HB HIS 41 3.747 -1.312 12.439
330 2HB HIS 41 2HB HIS 41 5.010 -2.490 12.800
331 HD1 HIS 41 HD1 HIS 41 4.771 0.949 11.149
332 HD2 HIS 41 HD2 HIS 41 7.376 -1.273 13.526
333 HE1 HIS 41 HE1 HIS 41 6.735 2.462 11.664
334 HE2 HIS 41 HE2 HIS 41 8.333 1.121 13.113
335 H GLU 42 H GLU 42 2.148 -2.172 10.868
336 HA GLU 42 HA GLU 42 1.659 -4.883 11.413
337 1HB GLU 42 1HB GLU 42 0.007 -3.110 11.812
338 2HB GLU 42 2HB GLU 42 -0.164 -2.870 10.073
339 1HG GLU 42 1HG GLU 42 -0.824 -5.318 9.911
340 2HG GLU 42 2HG GLU 42 -0.889 -5.339 11.673
341 H ILE 43 H ILE 43 1.373 -3.141 8.308
342 HA ILE 43 HA ILE 43 0.740 -5.475 6.814
343 HB ILE 43 HB ILE 43 1.601 -2.684 6.081
344 1HG1 ILE 43 1HG1 ILE 43 -0.895 -4.112 5.209
345 2HG1 ILE 43 2HG1 ILE 43 -0.780 -3.550 6.875
346 1HG2 ILE 43 1HG2 ILE 43 1.169 -5.062 4.249
347 2HG2 ILE 43 2HG2 ILE 43 2.597 -4.032 4.348
348 3HG2 ILE 43 3HG2 ILE 43 1.092 -3.390 3.694
349 1HD1 ILE 43 1HD1 ILE 43 -0.213 -1.265 6.000
350 2HD1 ILE 43 2HD1 ILE 43 -1.828 -1.810 5.553
351 3HD1 ILE 43 3HD1 ILE 43 -0.522 -1.862 4.369
352 H SER 44 H SER 44 3.785 -3.759 7.442
353 HA SER 44 HA SER 44 5.468 -5.058 5.658
354 1HB SER 44 1HB SER 44 6.326 -3.243 6.972
355 2HB SER 44 2HB SER 44 5.998 -4.098 8.477
356 HG SER 44 HG SER 44 7.528 -5.534 6.730
357 H SER 45 H SER 45 4.650 -6.067 8.986
358 HA SER 45 HA SER 45 6.134 -8.465 8.952
359 1HB SER 45 1HB SER 45 5.006 -7.179 10.935
360 2HB SER 45 2HB SER 45 3.608 -8.180 10.548
361 HG SER 45 HG SER 45 5.365 -8.959 12.092
362 H TYR 46 H TYR 46 2.781 -7.727 8.077
363 HA TYR 46 HA TYR 46 1.864 -10.359 7.726
364 1HB TYR 46 1HB TYR 46 0.571 -8.095 7.685
365 2HB TYR 46 2HB TYR 46 0.942 -8.106 5.961
366 HD1 TYR 46 HD1 TYR 46 -0.429 -10.322 8.660
367 HD2 TYR 46 HD2 TYR 46 -0.465 -9.277 4.492
368 HE1 TYR 46 HE1 TYR 46 -2.289 -11.917 8.275
369 HE2 TYR 46 HE2 TYR 46 -2.326 -10.873 4.109
370 HH TYR 46 HH TYR 46 -3.322 -12.806 5.106
371 H LEU 47 H LEU 47 3.388 -8.120 5.417
372 HA LEU 47 HA LEU 47 3.296 -9.980 3.235
373 1HB LEU 47 1HB LEU 47 4.955 -7.476 3.624
374 2HB LEU 47 2HB LEU 47 4.786 -8.360 2.107
375 HG LEU 47 HG LEU 47 2.466 -7.167 3.656
376 1HD1 LEU 47 1HD1 LEU 47 3.862 -6.173 1.152
377 2HD1 LEU 47 2HD1 LEU 47 3.964 -5.423 2.746
378 3HD1 LEU 47 3HD1 LEU 47 2.426 -5.458 1.885
379 1HD2 LEU 47 1HD2 LEU 47 2.759 -8.676 1.067
380 2HD2 LEU 47 2HD2 LEU 47 1.449 -7.513 1.260
381 3HD2 LEU 47 3HD2 LEU 47 1.567 -8.896 2.348
382 H GLU 48 H GLU 48 5.651 -9.099 5.698
383 HA GLU 48 HA GLU 48 7.883 -10.469 4.623
384 1HB GLU 48 1HB GLU 48 7.108 -9.419 7.310
385 2HB GLU 48 2HB GLU 48 8.442 -10.569 7.224
386 1HG GLU 48 1HG GLU 48 9.653 -9.165 5.681
387 2HG GLU 48 2HG GLU 48 8.272 -8.086 5.499
388 H LEU 49 H LEU 49 5.441 -11.436 7.026
389 HA LEU 49 HA LEU 49 6.435 -14.063 7.419
390 1HB LEU 49 1HB LEU 49 3.646 -12.944 7.822
391 2HB LEU 49 2HB LEU 49 4.214 -14.498 8.434
392 HG LEU 49 HG LEU 49 5.841 -12.071 9.079
393 1HD1 LEU 49 1HD1 LEU 49 3.392 -11.500 9.493
394 2HD1 LEU 49 2HD1 LEU 49 4.439 -11.421 10.909
395 3HD1 LEU 49 3HD1 LEU 49 3.376 -12.808 10.676
396 1HD2 LEU 49 1HD2 LEU 49 5.027 -14.516 10.684
397 2HD2 LEU 49 2HD2 LEU 49 6.262 -13.338 11.127
398 3HD2 LEU 49 3HD2 LEU 49 6.507 -14.392 9.733
399 H ASN 50 H ASN 50 4.110 -12.663 5.166
400 HA ASN 50 HA ASN 50 3.133 -15.118 4.107
401 1HB ASN 50 1HB ASN 50 2.169 -12.716 3.879
402 2HB ASN 50 2HB ASN 50 3.283 -12.563 2.525
403 1HD2 ASN 50 1HD2 ASN 50 2.889 -15.619 2.041
404 2HD2 ASN 50 2HD2 ASN 50 1.404 -15.692 1.224
405 H ALA 51 H ALA 51 4.373 -16.580 3.112
406 HA ALA 51 HA ALA 51 6.925 -16.004 1.994
407 1HB ALA 51 1HB ALA 51 5.149 -18.430 1.640
408 2HB ALA 51 2HB ALA 51 6.370 -18.214 2.895
409 3HB ALA 51 3HB ALA 51 6.855 -18.340 1.205
410 H ASP 52 H ASP 52 3.685 -16.216 0.661
411 HA ASP 52 HA ASP 52 4.391 -16.404 -2.077
412 1HB ASP 52 1HB ASP 52 1.914 -15.211 -0.810
413 2HB ASP 52 2HB ASP 52 2.088 -15.643 -2.509
414 H TYR 53 H TYR 53 4.039 -13.673 0.117
415 HA TYR 53 HA TYR 53 4.456 -11.771 -2.077
416 1HB TYR 53 1HB TYR 53 3.738 -11.468 0.837
417 2HB TYR 53 2HB TYR 53 4.210 -10.089 -0.155
418 HD1 TYR 53 HD1 TYR 53 1.940 -13.083 -0.358
419 HD2 TYR 53 HD2 TYR 53 2.514 -8.919 -1.244
420 HE1 TYR 53 HE1 TYR 53 -0.352 -12.965 -1.292
421 HE2 TYR 53 HE2 TYR 53 0.219 -8.802 -2.177
422 HH TYR 53 HH TYR 53 -1.584 -11.516 -2.958
423 H LEU 54 H LEU 54 6.189 -13.391 0.415
424 HA LEU 54 HA LEU 54 8.261 -11.616 0.991
425 1HB LEU 54 1HB LEU 54 7.865 -13.815 2.116
426 2HB LEU 54 2HB LEU 54 8.508 -14.617 0.684
427 HG LEU 54 HG LEU 54 10.603 -13.164 1.000
428 1HD1 LEU 54 1HD1 LEU 54 10.934 -12.005 2.990
429 2HD1 LEU 54 2HD1 LEU 54 9.744 -12.965 3.868
430 3HD1 LEU 54 3HD1 LEU 54 9.212 -11.728 2.733
431 1HD2 LEU 54 1HD2 LEU 54 11.481 -14.684 2.783
432 2HD2 LEU 54 2HD2 LEU 54 10.599 -15.547 1.525
433 3HD2 LEU 54 3HD2 LEU 54 9.832 -15.233 3.082
434 H HIS 55 H HIS 55 7.822 -13.795 -1.743
435 HA HIS 55 HA HIS 55 10.408 -13.461 -2.877
436 1HB HIS 55 1HB HIS 55 7.775 -14.348 -4.068
437 2HB HIS 55 2HB HIS 55 9.304 -14.378 -4.946
438 HD1 HIS 55 HD1 HIS 55 10.158 -15.088 -1.566
439 HD2 HIS 55 HD2 HIS 55 8.465 -17.336 -4.642
440 HE1 HIS 55 HE1 HIS 55 10.490 -17.521 -0.944
441 HE2 HIS 55 HE2 HIS 55 9.463 -18.903 -2.809
442 H THR 56 H THR 56 8.130 -11.142 -2.436
443 HA THR 56 HA THR 56 9.209 -9.549 -4.650
444 HB THR 56 HB THR 56 7.122 -10.496 -5.532
445 HG1 THR 56 HG1 THR 56 6.014 -8.206 -5.445
446 1HG2 THR 56 1HG2 THR 56 5.906 -9.229 -3.065
447 2HG2 THR 56 2HG2 THR 56 5.898 -10.938 -3.503
448 3HG2 THR 56 3HG2 THR 56 4.964 -9.780 -4.448
449 H MET 57 H MET 57 9.649 -9.551 -1.786
450 HA MET 57 HA MET 57 8.206 -7.513 -0.463
451 1HB MET 57 1HB MET 57 10.914 -8.760 -0.091
452 2HB MET 57 2HB MET 57 10.461 -7.346 0.862
453 1HG MET 57 1HG MET 57 8.301 -9.288 0.811
454 2HG MET 57 2HG MET 57 9.791 -10.020 1.403
455 1HE MET 57 1HE MET 57 8.352 -6.294 1.647
456 2HE MET 57 2HE MET 57 7.442 -6.497 3.142
457 3HE MET 57 3HE MET 57 7.055 -7.493 1.742
458 H ALA 58 H ALA 58 10.963 -7.454 -2.640
459 HA ALA 58 HA ALA 58 11.819 -4.807 -2.232
460 1HB ALA 58 1HB ALA 58 11.890 -6.413 -4.799
461 2HB ALA 58 2HB ALA 58 13.100 -6.489 -3.519
462 3HB ALA 58 3HB ALA 58 12.873 -4.996 -4.429
463 H THR 59 H THR 59 9.219 -6.152 -4.182
464 HA THR 59 HA THR 59 8.646 -3.743 -5.621
465 HB THR 59 HB THR 59 6.804 -6.083 -5.070
466 HG1 THR 59 HG1 THR 59 8.608 -5.636 -7.212
467 1HG2 THR 59 1HG2 THR 59 5.764 -4.002 -5.995
468 2HG2 THR 59 2HG2 THR 59 5.683 -5.367 -7.107
469 3HG2 THR 59 3HG2 THR 59 6.878 -4.094 -7.358
470 H PHE 60 H PHE 60 7.445 -5.231 -2.645
471 HA PHE 60 HA PHE 60 5.304 -3.439 -2.179
472 1HB PHE 60 1HB PHE 60 5.351 -5.471 -0.920
473 2HB PHE 60 2HB PHE 60 6.974 -5.138 -0.316
474 HD1 PHE 60 HD1 PHE 60 3.578 -3.526 -0.413
475 HD2 PHE 60 HD2 PHE 60 7.179 -4.227 1.824
476 HE1 PHE 60 HE1 PHE 60 2.616 -2.307 1.520
477 HE2 PHE 60 HE2 PHE 60 6.215 -3.011 3.757
478 HZ PHE 60 HZ PHE 60 3.934 -2.050 3.605
479 H ASP 61 H ASP 61 8.666 -3.476 -0.996
480 HA ASP 61 HA ASP 61 8.640 -1.182 0.562
481 1HB ASP 61 1HB ASP 61 10.558 -2.807 0.268
482 2HB ASP 61 2HB ASP 61 10.920 -1.996 -1.252
483 H GLU 62 H GLU 62 9.199 -1.502 -2.928
484 HA GLU 62 HA GLU 62 9.594 1.266 -3.434
485 1HB GLU 62 1HB GLU 62 10.358 -0.360 -5.043
486 2HB GLU 62 2HB GLU 62 8.730 -1.009 -5.234
487 1HG GLU 62 1HG GLU 62 7.950 1.055 -6.230
488 2HG GLU 62 2HG GLU 62 9.479 1.858 -5.876
489 H ALA 63 H ALA 63 6.742 -0.838 -3.454
490 HA ALA 63 HA ALA 63 4.914 1.019 -4.543
491 1HB ALA 63 1HB ALA 63 3.187 -0.428 -3.710
492 2HB ALA 63 2HB ALA 63 4.270 -1.125 -2.506
493 3HB ALA 63 3HB ALA 63 4.524 -1.460 -4.218
494 H TRP 64 H TRP 64 5.771 0.254 -1.169
495 HA TRP 64 HA TRP 64 4.025 2.024 0.108
496 1HB TRP 64 1HB TRP 64 5.545 0.263 1.176
497 2HB TRP 64 2HB TRP 64 6.831 1.466 1.075
498 HD1 TRP 64 HD1 TRP 64 6.711 3.549 2.659
499 HE1 TRP 64 HE1 TRP 64 5.254 4.124 4.705
500 HE3 TRP 64 HE3 TRP 64 3.123 -0.057 2.227
501 HZ2 TRP 64 HZ2 TRP 64 2.882 3.173 5.996
502 HZ3 TRP 64 HZ3 TRP 64 1.280 -0.202 3.876
503 HH2 TRP 64 HH2 TRP 64 1.154 1.408 5.759
504 H ASP 65 H ASP 65 7.346 2.550 -1.068
505 HA ASP 65 HA ASP 65 7.720 5.179 -0.246
506 1HB ASP 65 1HB ASP 65 9.474 3.800 -1.321
507 2HB ASP 65 2HB ASP 65 8.627 3.942 -2.860
508 H GLN 66 H GLN 66 6.007 3.904 -3.055
509 HA GLN 66 HA GLN 66 5.447 6.438 -4.251
510 1HB GLN 66 1HB GLN 66 5.368 4.132 -5.371
511 2HB GLN 66 2HB GLN 66 3.803 3.925 -4.586
512 1HG GLN 66 1HG GLN 66 3.310 4.810 -6.740
513 2HG GLN 66 2HG GLN 66 3.144 6.167 -5.629
514 1HE2 GLN 66 1HE2 GLN 66 5.656 4.625 -7.717
515 2HE2 GLN 66 2HE2 GLN 66 6.397 6.088 -8.147
516 H TYR 67 H TYR 67 3.597 4.212 -2.188
517 HA TYR 67 HA TYR 67 1.191 5.576 -2.030
518 1HB TYR 67 1HB TYR 67 1.335 3.421 -1.030
519 2HB TYR 67 2HB TYR 67 2.676 3.908 0.004
520 HD1 TYR 67 HD1 TYR 67 -0.929 4.596 -0.697
521 HD2 TYR 67 HD2 TYR 67 2.280 4.800 2.153
522 HE1 TYR 67 HE1 TYR 67 -2.534 5.286 1.061
523 HE2 TYR 67 HE2 TYR 67 0.674 5.490 3.911
524 HH TYR 67 HH TYR 67 -2.201 6.718 3.392
525 H GLU 68 H GLU 68 3.988 5.892 0.172
526 HA GLU 68 HA GLU 68 3.023 7.984 1.745
527 1HB GLU 68 1HB GLU 68 5.871 7.375 0.918
528 2HB GLU 68 2HB GLU 68 5.413 8.471 2.222
529 1HG GLU 68 1HG GLU 68 4.154 6.548 3.275
530 2HG GLU 68 2HG GLU 68 4.871 5.495 2.057
531 H SER 69 H SER 69 5.041 8.159 -1.188
532 HA SER 69 HA SER 69 5.379 10.893 -1.388
533 1HB SER 69 1HB SER 69 4.948 8.889 -3.613
534 2HB SER 69 2HB SER 69 5.555 10.525 -3.845
535 HG SER 69 HG SER 69 7.272 9.977 -2.415
536 H GLU 70 H GLU 70 2.515 9.013 -1.973
537 HA GLU 70 HA GLU 70 1.117 11.107 -3.394
538 1HB GLU 70 1HB GLU 70 -0.009 8.575 -2.183
539 2HB GLU 70 2HB GLU 70 -0.751 9.582 -3.425
540 1HG GLU 70 1HG GLU 70 1.961 8.738 -4.135
541 2HG GLU 70 2HG GLU 70 0.877 7.375 -3.884
542 H VAL 71 H VAL 71 0.661 9.519 -0.221
543 HA VAL 71 HA VAL 71 -1.230 11.572 0.588
544 HB VAL 71 HB VAL 71 -0.137 9.329 2.281
545 1HG1 VAL 71 1HG1 VAL 71 -1.494 10.983 3.463
546 2HG1 VAL 71 2HG1 VAL 71 -2.416 9.491 3.289
547 3HG1 VAL 71 3HG1 VAL 71 -2.757 10.863 2.237
548 1HG2 VAL 71 1HG2 VAL 71 -0.855 8.207 0.312
549 2HG2 VAL 71 2HG2 VAL 71 -2.223 9.297 0.090
550 3HG2 VAL 71 3HG2 VAL 71 -2.239 8.116 1.401
551 H HIS 72 H HIS 72 2.162 11.071 0.912
552 HA HIS 72 HA HIS 72 2.463 12.480 3.410
553 1HB HIS 72 1HB HIS 72 4.095 10.769 2.458
554 2HB HIS 72 2HB HIS 72 4.618 12.029 1.339
555 HD1 HIS 72 HD1 HIS 72 3.635 13.420 4.574
556 HD2 HIS 72 HD2 HIS 72 7.122 11.818 2.944
557 HE1 HIS 72 HE1 HIS 72 5.528 14.131 6.096
558 HE2 HIS 72 HE2 HIS 72 7.662 13.162 5.117
559 H GLY 73 H GLY 73 1.535 13.506 0.424
560 1HA GLY 73 2HA GLY 73 3.041 15.997 0.347
561 2HA GLY 73 1HA GLY 73 1.778 15.499 -0.777
562 H ARG 74 H ARG 74 0.154 14.790 1.750
563 HA ARG 74 HA ARG 74 -1.212 17.331 1.939
564 1HB ARG 74 1HB ARG 74 -1.830 14.806 3.450
565 2HB ARG 74 2HB ARG 74 -2.911 16.142 3.074
566 1HG ARG 74 1HG ARG 74 -2.750 15.627 0.674
567 2HG ARG 74 2HG ARG 74 -1.639 14.303 1.026
568 1HD ARG 74 1HD ARG 74 -3.774 13.279 0.789
569 2HD ARG 74 2HD ARG 74 -3.480 13.347 2.524
570 HE ARG 74 HE ARG 74 -4.879 15.672 1.631
571 1HH1 ARG 74 1HH2 ARG 74 -5.233 12.299 2.343
572 2HH1 ARG 74 2HH2 ARG 74 -6.913 12.422 2.745
573 1HH2 ARG 74 1HH1 ARG 74 -7.080 15.834 2.160
574 2HH2 ARG 74 2HH1 ARG 74 -7.956 14.420 2.643
575 H LEU 75 H LEU 75 -1.918 16.141 4.741
576 HA LEU 75 HA LEU 75 -1.449 16.658 6.926
577 1HB LEU 75 1HB LEU 75 1.330 16.490 5.762
578 2HB LEU 75 2HB LEU 75 1.087 17.004 7.429
579 HG LEU 75 HG LEU 75 1.481 14.584 7.334
580 1HD1 LEU 75 1HD1 LEU 75 -0.207 13.992 8.817
581 2HD1 LEU 75 2HD1 LEU 75 -1.460 14.808 7.882
582 3HD1 LEU 75 3HD1 LEU 75 -0.334 15.751 8.858
583 1HD2 LEU 75 1HD2 LEU 75 0.468 14.421 4.965
584 2HD2 LEU 75 2HD2 LEU 75 -1.096 14.319 5.775
585 3HD2 LEU 75 3HD2 LEU 75 0.133 13.090 6.072
586 H GLU 76 H GLU 76 -2.171 18.622 4.985
587 HA GLU 76 HA GLU 76 -0.659 21.007 5.350
588 1HB GLU 76 1HB GLU 76 -3.537 20.795 4.458
589 2HB GLU 76 2HB GLU 76 -2.390 22.087 4.099
590 1HG GLU 76 1HG GLU 76 -1.001 20.524 2.808
591 2HG GLU 76 2HG GLU 76 -2.102 19.204 3.198
592 H HIS 77 H HIS 77 -1.612 19.621 7.817
593 HA HIS 77 HA HIS 77 -2.778 21.977 9.120
594 1HB HIS 77 1HB HIS 77 -4.315 20.415 10.407
595 2HB HIS 77 2HB HIS 77 -4.741 20.675 8.715
596 HD1 HIS 77 HD1 HIS 77 -3.441 18.076 11.077
597 HD2 HIS 77 HD2 HIS 77 -4.291 18.415 7.009
598 HE1 HIS 77 HE1 HIS 77 -3.375 15.728 10.134
599 HE2 HIS 77 HE2 HIS 77 -3.892 15.917 7.656
600 H HIS 78 H HIS 78 -2.506 21.962 11.442
601 HA HIS 78 HA HIS 78 -0.879 19.939 12.694
602 1HB HIS 78 1HB HIS 78 0.846 21.205 11.450
603 2HB HIS 78 2HB HIS 78 0.319 22.688 12.243
604 HD1 HIS 78 HD1 HIS 78 0.302 19.587 14.292
605 HD2 HIS 78 HD2 HIS 78 2.892 22.778 13.588
606 HE1 HIS 78 HE1 HIS 78 2.069 19.489 16.103
607 HE2 HIS 78 HE2 HIS 78 3.656 21.428 15.687
608 H HIS 79 H HIS 79 -1.835 19.771 14.603
609 HA HIS 79 HA HIS 79 -3.288 21.976 15.783
610 1HB HIS 79 1HB HIS 79 -2.710 19.228 16.920
611 2HB HIS 79 2HB HIS 79 -3.931 20.367 17.490
612 HD1 HIS 79 HD1 HIS 79 -3.102 18.181 14.512
613 HD2 HIS 79 HD2 HIS 79 -6.318 20.375 16.004
614 HE1 HIS 79 HE1 HIS 79 -5.098 17.600 13.065
615 HE2 HIS 79 HE2 HIS 79 -7.066 18.930 13.962
616 H HIS 80 H HIS 80 -2.911 22.806 17.903
617 HA HIS 80 HA HIS 80 -1.637 23.753 19.553
618 1HB HIS 80 1HB HIS 80 0.006 21.246 19.128
619 2HB HIS 80 2HB HIS 80 0.296 22.407 20.421
620 HD1 HIS 80 HD1 HIS 80 -1.505 22.592 22.301
621 HD2 HIS 80 HD2 HIS 80 -2.302 19.633 19.475
622 HE1 HIS 80 HE1 HIS 80 -3.351 21.154 23.270
623 HE2 HIS 80 HE2 HIS 80 -3.848 19.345 21.559
624 H HIS 81 H HIS 81 -0.864 25.623 18.768
625 HA HIS 81 HA HIS 81 1.201 25.743 16.758
626 1HB HIS 81 1HB HIS 81 -0.117 27.867 18.464
627 2HB HIS 81 2HB HIS 81 1.080 28.214 17.218
628 HD1 HIS 81 HD1 HIS 81 -1.206 25.405 16.473
629 HD2 HIS 81 HD2 HIS 81 -1.096 29.509 15.752
630 HE1 HIS 81 HE1 HIS 81 -2.932 25.864 14.678
631 HE2 HIS 81 HE2 HIS 81 -2.877 28.361 14.227
632 H HIS 82 H HIS 82 3.001 27.518 17.341
633 HA HIS 82 HA HIS 82 4.747 26.238 19.202
634 1HB HIS 82 1HB HIS 82 5.055 28.981 17.957
635 2HB HIS 82 2HB HIS 82 6.334 27.965 18.622
636 HD1 HIS 82 HD1 HIS 82 3.865 28.081 15.749
637 HD2 HIS 82 HD2 HIS 82 7.310 26.014 16.864
638 HE1 HIS 82 HE1 HIS 82 4.553 26.700 13.742
639 HE2 HIS 82 HE2 HIS 82 6.651 25.432 14.405
Start of MODEL 8
1 1H MET 1 1HT MET 1 -6.237 10.097 4.733
2 2H MET 1 2HT MET 1 -4.963 10.784 3.843
3 3H MET 1 3HT MET 1 -5.039 10.997 5.526
4 HA MET 1 HA MET 1 -3.546 9.138 4.309
5 1HB MET 1 1HB MET 1 -3.846 9.986 6.808
6 2HB MET 1 2HB MET 1 -4.763 8.490 6.973
7 1HG MET 1 1HG MET 1 -2.715 7.370 5.818
8 2HG MET 1 2HG MET 1 -1.856 8.845 6.265
9 1HE MET 1 1HE MET 1 -0.432 7.014 7.107
10 2HE MET 1 2HE MET 1 -0.455 6.455 8.777
11 3HE MET 1 3HE MET 1 -0.181 8.160 8.431
12 H LYS 2 H LYS 2 -5.699 8.723 2.778
13 HA LYS 2 HA LYS 2 -7.579 6.805 3.446
14 1HB LYS 2 1HB LYS 2 -7.609 6.221 1.019
15 2HB LYS 2 2HB LYS 2 -7.694 7.955 1.319
16 1HG LYS 2 1HG LYS 2 -4.957 6.831 1.014
17 2HG LYS 2 2HG LYS 2 -5.953 6.831 -0.437
18 1HD LYS 2 1HD LYS 2 -5.860 9.323 1.229
19 2HD LYS 2 2HD LYS 2 -4.492 8.953 0.181
20 1HE LYS 2 1HE LYS 2 -7.320 8.874 -0.863
21 2HE LYS 2 2HE LYS 2 -6.406 10.381 -0.812
22 1HZ LYS 2 2HZ LYS 2 -4.613 8.765 -1.913
23 2HZ LYS 2 2HZ LYS 2 -5.724 9.675 -2.822
24 3HZ LYS 2 3HZ LYS 2 -6.033 8.039 -2.492
25 H SER 3 H SER 3 -7.694 4.525 3.070
26 HA SER 3 HA SER 3 -5.554 3.063 4.137
27 1HB SER 3 1HB SER 3 -8.052 2.315 2.652
28 2HB SER 3 2HB SER 3 -6.850 1.080 3.019
29 HG SER 3 HG SER 3 -7.409 2.751 5.119
30 H PHE 4 H PHE 4 -3.828 2.037 3.281
31 HA PHE 4 HA PHE 4 -2.762 2.774 0.808
32 1HB PHE 4 1HB PHE 4 -1.347 1.871 2.559
33 2HB PHE 4 2HB PHE 4 -2.200 0.328 2.504
34 HD1 PHE 4 HD1 PHE 4 -1.676 -1.324 0.862
35 HD2 PHE 4 HD2 PHE 4 -0.010 2.624 0.550
36 HE1 PHE 4 HE1 PHE 4 -0.156 -2.108 -0.933
37 HE2 PHE 4 HE2 PHE 4 1.511 1.839 -1.246
38 HZ PHE 4 HZ PHE 4 1.438 -0.527 -1.987
39 H TYR 5 H TYR 5 -4.741 -0.006 1.719
40 HA TYR 5 HA TYR 5 -4.538 -1.444 -0.700
41 1HB TYR 5 1HB TYR 5 -5.442 -2.438 1.360
42 2HB TYR 5 2HB TYR 5 -6.829 -1.352 1.282
43 HD1 TYR 5 HD1 TYR 5 -4.980 -3.621 -1.086
44 HD2 TYR 5 HD2 TYR 5 -8.776 -2.301 0.434
45 HE1 TYR 5 HE1 TYR 5 -6.140 -5.196 -2.608
46 HE2 TYR 5 HE2 TYR 5 -9.934 -3.876 -1.089
47 HH TYR 5 HH TYR 5 -9.146 -6.213 -2.264
48 H HIS 6 H HIS 6 -6.712 1.144 0.353
49 HA HIS 6 HA HIS 6 -8.452 1.062 -1.899
50 1HB HIS 6 1HB HIS 6 -7.767 3.238 0.059
51 2HB HIS 6 2HB HIS 6 -8.954 3.438 -1.226
52 HD1 HIS 6 HD1 HIS 6 -10.926 3.611 0.466
53 HD2 HIS 6 HD2 HIS 6 -8.833 0.013 0.695
54 HE1 HIS 6 HE1 HIS 6 -12.343 2.047 1.862
55 HE2 HIS 6 HE2 HIS 6 -11.078 -0.150 2.018
56 H TYR 7 H TYR 7 -5.706 3.216 -1.095
57 HA TYR 7 HA TYR 7 -5.703 4.692 -3.472
58 1HB TYR 7 1HB TYR 7 -4.270 5.510 -1.782
59 2HB TYR 7 2HB TYR 7 -3.527 3.933 -1.523
60 HD1 TYR 7 HD1 TYR 7 -3.778 6.787 -3.901
61 HD2 TYR 7 HD2 TYR 7 -1.663 3.201 -2.836
62 HE1 TYR 7 HE1 TYR 7 -2.004 7.343 -5.540
63 HE2 TYR 7 HE2 TYR 7 0.109 3.762 -4.474
64 HH TYR 7 HH TYR 7 0.596 5.082 -6.269
65 H LEU 8 H LEU 8 -3.960 1.741 -2.584
66 HA LEU 8 HA LEU 8 -2.740 1.208 -5.050
67 1HB LEU 8 1HB LEU 8 -2.275 0.058 -2.851
68 2HB LEU 8 2HB LEU 8 -3.773 -0.844 -3.078
69 HG LEU 8 HG LEU 8 -2.812 -1.524 -5.372
70 1HD1 LEU 8 1HD1 LEU 8 -0.987 -0.090 -5.717
71 2HD1 LEU 8 2HD1 LEU 8 -0.206 -1.576 -5.176
72 3HD1 LEU 8 3HD1 LEU 8 -0.430 -0.237 -4.050
73 1HD2 LEU 8 1HD2 LEU 8 -1.500 -3.357 -4.351
74 2HD2 LEU 8 2HD2 LEU 8 -2.988 -3.063 -3.452
75 3HD2 LEU 8 3HD2 LEU 8 -1.448 -2.469 -2.828
76 H LEU 9 H LEU 9 -6.041 0.763 -3.914
77 HA LEU 9 HA LEU 9 -6.922 -1.140 -5.795
78 1HB LEU 9 1HB LEU 9 -8.087 0.342 -3.755
79 2HB LEU 9 2HB LEU 9 -8.932 0.888 -5.201
80 HG LEU 9 HG LEU 9 -8.526 -2.030 -4.479
81 1HD1 LEU 9 1HD1 LEU 9 -9.943 -0.846 -2.814
82 2HD1 LEU 9 2HD1 LEU 9 -10.869 -2.013 -3.758
83 3HD1 LEU 9 3HD1 LEU 9 -10.987 -0.291 -4.122
84 1HD2 LEU 9 1HD2 LEU 9 -8.950 -1.978 -6.776
85 2HD2 LEU 9 2HD2 LEU 9 -9.948 -0.529 -6.661
86 3HD2 LEU 9 3HD2 LEU 9 -10.587 -2.084 -6.129
87 H LYS 10 H LYS 10 -6.121 2.209 -6.194
88 HA LYS 10 HA LYS 10 -7.673 2.734 -8.528
89 1HB LYS 10 1HB LYS 10 -5.107 4.019 -7.555
90 2HB LYS 10 2HB LYS 10 -6.135 4.652 -8.842
91 1HG LYS 10 1HG LYS 10 -8.046 4.625 -7.140
92 2HG LYS 10 2HG LYS 10 -6.813 4.344 -5.909
93 1HD LYS 10 1HD LYS 10 -5.642 6.421 -7.077
94 2HD LYS 10 2HD LYS 10 -7.291 6.779 -7.591
95 1HE LYS 10 1HE LYS 10 -6.412 6.312 -4.726
96 2HE LYS 10 2HE LYS 10 -6.764 7.885 -5.443
97 1HZ LYS 10 2HZ LYS 10 -9.015 7.204 -5.843
98 2HZ LYS 10 2HZ LYS 10 -8.651 6.953 -4.201
99 3HZ LYS 10 3HZ LYS 10 -8.695 5.638 -5.275
100 H TYR 11 H TYR 11 -4.765 0.963 -7.995
101 HA TYR 11 HA TYR 11 -3.894 1.148 -10.775
102 1HB TYR 11 1HB TYR 11 -2.787 -0.171 -8.300
103 2HB TYR 11 2HB TYR 11 -2.113 -0.473 -9.897
104 HD1 TYR 11 HD1 TYR 11 -3.095 2.357 -7.635
105 HD2 TYR 11 HD2 TYR 11 -0.488 0.977 -10.760
106 HE1 TYR 11 HE1 TYR 11 -1.808 4.471 -7.495
107 HE2 TYR 11 HE2 TYR 11 0.799 3.092 -10.618
108 HH TYR 11 HH TYR 11 -0.114 5.651 -8.302
109 H ARG 12 H ARG 12 -6.414 -0.296 -9.619
110 HA ARG 12 HA ARG 12 -7.342 -2.465 -9.666
111 1HB ARG 12 1HB ARG 12 -6.940 -1.643 -12.533
112 2HB ARG 12 2HB ARG 12 -8.200 -2.687 -11.894
113 1HG ARG 12 1HG ARG 12 -8.783 -0.694 -10.341
114 2HG ARG 12 2HG ARG 12 -7.841 0.268 -11.485
115 1HD ARG 12 1HD ARG 12 -10.178 -1.517 -12.231
116 2HD ARG 12 2HD ARG 12 -10.265 0.234 -12.052
117 HE ARG 12 HE ARG 12 -8.216 -0.221 -13.856
118 1HH1 ARG 12 1HH2 ARG 12 -11.590 -0.967 -13.592
119 2HH1 ARG 12 2HH2 ARG 12 -11.866 -0.947 -15.302
120 1HH2 ARG 12 1HH1 ARG 12 -8.573 -0.197 -16.090
121 2HH2 ARG 12 2HH1 ARG 12 -10.157 -0.513 -16.716
122 H HIS 13 H HIS 13 -6.898 -3.856 -12.380
123 HA HIS 13 HA HIS 13 -4.298 -5.078 -12.089
124 1HB HIS 13 1HB HIS 13 -5.079 -7.272 -11.442
125 2HB HIS 13 2HB HIS 13 -5.637 -6.099 -10.259
126 HD1 HIS 13 HD1 HIS 13 -7.024 -8.925 -11.085
127 HD2 HIS 13 HD2 HIS 13 -8.293 -5.101 -12.162
128 HE1 HIS 13 HE1 HIS 13 -9.484 -9.118 -11.655
129 HE2 HIS 13 HE2 HIS 13 -10.272 -6.796 -12.310
130 HA PRO 14 HA PRO 14 -6.496 -5.965 -16.176
131 1HB PRO 14 1HB PRO 14 -6.258 -3.742 -17.657
132 2HB PRO 14 2HB PRO 14 -7.556 -3.898 -16.454
133 1HG PRO 14 1HG PRO 14 -5.000 -2.380 -16.296
134 2HG PRO 14 2HG PRO 14 -6.607 -1.953 -15.684
135 1HD PRO 14 1HD PRO 14 -4.531 -3.060 -14.139
136 2HD PRO 14 2HD PRO 14 -6.245 -3.005 -13.697
137 H LYS 15 H LYS 15 -4.753 -7.375 -16.609
138 HA LYS 15 HA LYS 15 -2.704 -8.090 -17.404
139 1HB LYS 15 1HB LYS 15 -3.326 -5.828 -19.319
140 2HB LYS 15 2HB LYS 15 -2.072 -7.037 -19.584
141 1HG LYS 15 1HG LYS 15 -4.927 -7.843 -19.024
142 2HG LYS 15 2HG LYS 15 -4.382 -7.470 -20.660
143 1HD LYS 15 1HD LYS 15 -2.445 -9.143 -20.142
144 2HD LYS 15 2HD LYS 15 -3.496 -9.704 -18.842
145 1HE LYS 15 1HE LYS 15 -4.126 -11.089 -20.624
146 2HE LYS 15 2HE LYS 15 -5.328 -9.802 -20.706
147 1HZ LYS 15 2HZ LYS 15 -3.986 -10.527 -22.814
148 2HZ LYS 15 2HZ LYS 15 -2.820 -9.468 -22.183
149 3HZ LYS 15 3HZ LYS 15 -4.379 -8.898 -22.552
150 HA PRO 16 HA PRO 16 -0.257 -4.865 -15.201
151 1HB PRO 16 1HB PRO 16 1.194 -6.620 -13.696
152 2HB PRO 16 2HB PRO 16 -0.417 -6.044 -13.233
153 1HG PRO 16 1HG PRO 16 0.388 -8.623 -14.479
154 2HG PRO 16 2HG PRO 16 -0.827 -8.303 -13.233
155 1HD PRO 16 1HD PRO 16 -1.456 -8.721 -15.873
156 2HD PRO 16 2HD PRO 16 -2.458 -7.748 -14.771
157 H LYS 17 H LYS 17 2.046 -4.422 -15.196
158 HA LYS 17 HA LYS 17 3.758 -6.089 -16.890
159 1HB LYS 17 1HB LYS 17 3.627 -3.143 -17.477
160 2HB LYS 17 2HB LYS 17 4.251 -4.446 -18.485
161 1HG LYS 17 1HG LYS 17 1.857 -5.314 -18.620
162 2HG LYS 17 2HG LYS 17 1.358 -3.790 -17.889
163 1HD LYS 17 1HD LYS 17 2.879 -4.122 -20.492
164 2HD LYS 17 2HD LYS 17 1.201 -3.610 -20.319
165 1HE LYS 17 1HE LYS 17 2.160 -1.709 -18.828
166 2HE LYS 17 2HE LYS 17 3.706 -2.109 -19.573
167 1HZ LYS 17 2HZ LYS 17 2.720 -1.766 -21.744
168 2HZ LYS 17 2HZ LYS 17 2.552 -0.370 -20.792
169 3HZ LYS 17 3HZ LYS 17 1.224 -1.399 -21.037
170 H ASP 18 H ASP 18 3.408 -3.128 -14.960
171 HA ASP 18 HA ASP 18 6.241 -3.019 -14.343
172 1HB ASP 18 1HB ASP 18 4.804 -0.973 -14.575
173 2HB ASP 18 2HB ASP 18 3.970 -1.452 -13.098
174 H SER 19 H SER 19 7.126 -3.257 -12.219
175 HA SER 19 HA SER 19 6.371 -5.541 -10.840
176 1HB SER 19 1HB SER 19 7.797 -3.202 -9.574
177 2HB SER 19 2HB SER 19 7.950 -4.909 -9.175
178 HG SER 19 HG SER 19 9.022 -3.444 -11.276
179 H ILE 20 H ILE 20 5.597 -2.145 -10.082
180 HA ILE 20 HA ILE 20 4.163 -2.694 -7.699
181 HB ILE 20 HB ILE 20 5.076 -0.427 -8.719
182 1HG1 ILE 20 1HG1 ILE 20 2.442 -0.420 -7.222
183 2HG1 ILE 20 2HG1 ILE 20 3.962 -0.898 -6.463
184 1HG2 ILE 20 1HG2 ILE 20 3.433 -0.617 -10.664
185 2HG2 ILE 20 2HG2 ILE 20 3.408 0.917 -9.794
186 3HG2 ILE 20 3HG2 ILE 20 2.150 -0.284 -9.500
187 1HD1 ILE 20 1HD1 ILE 20 3.370 1.532 -6.133
188 2HD1 ILE 20 2HD1 ILE 20 3.554 1.753 -7.872
189 3HD1 ILE 20 3HD1 ILE 20 4.940 1.270 -6.893
190 H SER 21 H SER 21 3.234 -2.552 -11.087
191 HA SER 21 HA SER 21 0.437 -2.589 -10.746
192 1HB SER 21 1HB SER 21 2.316 -3.290 -12.957
193 2HB SER 21 2HB SER 21 0.649 -3.839 -13.082
194 HG SER 21 HG SER 21 0.148 -1.552 -12.503
195 H GLU 22 H GLU 22 2.794 -5.225 -11.148
196 HA GLU 22 HA GLU 22 0.987 -7.374 -11.127
197 1HB GLU 22 1HB GLU 22 3.741 -7.490 -9.895
198 2HB GLU 22 2HB GLU 22 2.859 -8.771 -10.721
199 1HG GLU 22 1HG GLU 22 2.939 -6.882 -12.685
200 2HG GLU 22 2HG GLU 22 4.450 -6.542 -11.847
201 H PHE 23 H PHE 23 2.522 -5.579 -8.502
202 HA PHE 23 HA PHE 23 1.743 -7.224 -6.348
203 1HB PHE 23 1HB PHE 23 3.381 -5.287 -6.282
204 2HB PHE 23 2HB PHE 23 1.991 -4.205 -6.290
205 HD1 PHE 23 HD1 PHE 23 3.647 -6.957 -4.405
206 HD2 PHE 23 HD2 PHE 23 0.707 -3.825 -4.312
207 HE1 PHE 23 HE1 PHE 23 3.413 -7.247 -1.952
208 HE2 PHE 23 HE2 PHE 23 0.475 -4.116 -1.861
209 HZ PHE 23 HZ PHE 23 1.827 -5.826 -0.680
210 H ALA 24 H ALA 24 0.129 -4.562 -8.013
211 HA ALA 24 HA ALA 24 -2.109 -4.228 -6.383
212 1HB ALA 24 1HB ALA 24 -2.226 -4.052 -9.389
213 2HB ALA 24 2HB ALA 24 -1.357 -2.858 -8.424
214 3HB ALA 24 3HB ALA 24 -3.091 -3.084 -8.196
215 H ASN 25 H ASN 25 -1.689 -6.392 -9.192
216 HA ASN 25 HA ASN 25 -4.254 -7.504 -9.230
217 1HB ASN 25 1HB ASN 25 -1.764 -9.092 -9.843
218 2HB ASN 25 2HB ASN 25 -3.363 -9.249 -10.564
219 1HD2 ASN 25 1HD2 ASN 25 -3.875 -7.875 -12.350
220 2HD2 ASN 25 2HD2 ASN 25 -2.798 -6.723 -12.972
221 H GLN 26 H GLN 26 -1.357 -8.617 -7.484
222 HA GLN 26 HA GLN 26 -2.528 -10.899 -6.312
223 1HB GLN 26 1HB GLN 26 -0.113 -10.579 -6.374
224 2HB GLN 26 2HB GLN 26 -0.247 -9.163 -5.335
225 1HG GLN 26 1HG GLN 26 -0.658 -10.411 -3.444
226 2HG GLN 26 2HG GLN 26 -1.465 -11.698 -4.338
227 1HE2 GLN 26 1HE2 GLN 26 1.621 -10.649 -5.594
228 2HE2 GLN 26 2HE2 GLN 26 2.517 -11.983 -5.046
229 H ALA 27 H ALA 27 -2.049 -7.619 -5.001
230 HA ALA 27 HA ALA 27 -3.260 -8.023 -2.510
231 1HB ALA 27 1HB ALA 27 -1.928 -5.997 -3.335
232 2HB ALA 27 2HB ALA 27 -3.324 -5.666 -2.310
233 3HB ALA 27 3HB ALA 27 -3.439 -5.439 -4.056
234 H TYR 28 H TYR 28 -4.650 -7.499 -5.671
235 HA TYR 28 HA TYR 28 -7.246 -6.698 -4.944
236 1HB TYR 28 1HB TYR 28 -6.255 -6.688 -7.262
237 2HB TYR 28 2HB TYR 28 -6.505 -8.432 -7.309
238 HD1 TYR 28 HD1 TYR 28 -8.542 -9.283 -8.063
239 HD2 TYR 28 HD2 TYR 28 -8.362 -5.241 -6.618
240 HE1 TYR 28 HE1 TYR 28 -10.900 -8.932 -8.749
241 HE2 TYR 28 HE2 TYR 28 -10.720 -4.892 -7.301
242 HH TYR 28 HH TYR 28 -12.424 -5.749 -8.533
243 H GLU 29 H GLU 29 -5.756 -9.890 -5.151
244 HA GLU 29 HA GLU 29 -8.261 -11.261 -4.624
245 1HB GLU 29 1HB GLU 29 -5.621 -12.646 -4.476
246 2HB GLU 29 2HB GLU 29 -7.144 -13.193 -5.168
247 1HG GLU 29 1HG GLU 29 -6.739 -11.229 -6.880
248 2HG GLU 29 2HG GLU 29 -5.061 -11.397 -6.369
249 H ASP 30 H ASP 30 -7.105 -9.358 -2.620
250 HA ASP 30 HA ASP 30 -6.173 -10.988 -0.428
251 1HB ASP 30 1HB ASP 30 -6.174 -8.948 0.858
252 2HB ASP 30 2HB ASP 30 -5.505 -8.599 -0.733
253 H HIS 31 H HIS 31 -7.426 -10.352 1.779
254 HA HIS 31 HA HIS 31 -10.254 -10.224 1.721
255 1HB HIS 31 1HB HIS 31 -9.025 -12.906 1.462
256 2HB HIS 31 2HB HIS 31 -10.269 -12.762 2.704
257 HD1 HIS 31 HD1 HIS 31 -10.079 -13.764 -0.621
258 HD2 HIS 31 HD2 HIS 31 -12.562 -11.039 1.325
259 HE1 HIS 31 HE1 HIS 31 -12.127 -13.486 -2.086
260 HE2 HIS 31 HE2 HIS 31 -13.648 -11.824 -0.915
261 H SER 32 H SER 32 -7.415 -11.526 3.390
262 HA SER 32 HA SER 32 -8.603 -10.811 5.989
263 1HB SER 32 1HB SER 32 -7.693 -13.061 5.865
264 2HB SER 32 2HB SER 32 -6.152 -12.442 5.283
265 HG SER 32 HG SER 32 -7.112 -11.336 7.637
266 H PHE 33 H PHE 33 -6.438 -9.673 3.639
267 HA PHE 33 HA PHE 33 -4.407 -8.394 4.998
268 1HB PHE 33 1HB PHE 33 -4.680 -8.436 2.528
269 2HB PHE 33 2HB PHE 33 -5.997 -7.274 2.672
270 HD1 PHE 33 HD1 PHE 33 -5.570 -4.954 3.359
271 HD2 PHE 33 HD2 PHE 33 -2.361 -7.775 2.915
272 HE1 PHE 33 HE1 PHE 33 -3.929 -3.095 3.403
273 HE2 PHE 33 HE2 PHE 33 -0.721 -5.915 2.961
274 HZ PHE 33 HZ PHE 33 -1.506 -3.577 3.204
275 HA PRO 34 HA PRO 34 -6.565 -5.486 7.582
276 1HB PRO 34 1HB PRO 34 -4.474 -3.810 8.166
277 2HB PRO 34 2HB PRO 34 -4.680 -5.411 8.900
278 1HG PRO 34 1HG PRO 34 -2.896 -4.565 6.678
279 2HG PRO 34 2HG PRO 34 -2.595 -5.708 7.999
280 1HD PRO 34 1HD PRO 34 -3.220 -6.495 5.448
281 2HD PRO 34 2HD PRO 34 -3.598 -7.465 6.887
282 H LYS 35 H LYS 35 -7.301 -5.036 5.046
283 HA LYS 35 HA LYS 35 -6.506 -2.688 3.757
284 1HB LYS 35 1HB LYS 35 -9.016 -2.716 2.972
285 2HB LYS 35 2HB LYS 35 -7.921 -4.001 2.464
286 1HG LYS 35 1HG LYS 35 -8.835 -5.555 3.949
287 2HG LYS 35 2HG LYS 35 -9.481 -4.307 5.015
288 1HD LYS 35 1HD LYS 35 -11.364 -3.988 3.731
289 2HD LYS 35 2HD LYS 35 -10.531 -4.376 2.224
290 1HE LYS 35 1HE LYS 35 -12.186 -6.124 2.871
291 2HE LYS 35 2HE LYS 35 -10.541 -6.753 2.787
292 1HZ LYS 35 2HZ LYS 35 -11.905 -7.370 4.811
293 2HZ LYS 35 2HZ LYS 35 -11.709 -5.760 5.316
294 3HZ LYS 35 3HZ LYS 35 -10.350 -6.757 5.101
295 H THR 36 H THR 36 -8.418 -3.152 6.610
296 HA THR 36 HA THR 36 -9.343 -0.366 6.598
297 HB THR 36 HB THR 36 -11.006 -2.031 7.206
298 HG1 THR 36 HG1 THR 36 -11.170 -1.308 9.567
299 1HG2 THR 36 1HG2 THR 36 -9.923 -3.913 8.016
300 2HG2 THR 36 2HG2 THR 36 -10.501 -3.205 9.523
301 3HG2 THR 36 3HG2 THR 36 -8.824 -2.976 9.029
302 H SER 37 H SER 37 -6.562 -0.728 6.782
303 HA SER 37 HA SER 37 -5.871 0.912 8.938
304 1HB SER 37 1HB SER 37 -6.387 -1.534 9.985
305 2HB SER 37 2HB SER 37 -4.697 -1.748 9.556
306 HG SER 37 HG SER 37 -4.223 0.116 10.756
307 H THR 38 H THR 38 -4.177 1.933 8.060
308 HA THR 38 HA THR 38 -2.339 0.388 6.344
309 HB THR 38 HB THR 38 -3.411 2.214 5.154
310 HG1 THR 38 HG1 THR 38 -0.916 3.311 5.726
311 1HG2 THR 38 1HG2 THR 38 -2.176 4.301 6.884
312 2HG2 THR 38 2HG2 THR 38 -3.620 3.502 7.505
313 3HG2 THR 38 3HG2 THR 38 -3.677 4.349 5.961
314 H ASP 39 H ASP 39 -0.696 -0.292 7.522
315 HA ASP 39 HA ASP 39 0.924 1.684 8.933
316 1HB ASP 39 1HB ASP 39 -0.368 0.929 10.760
317 2HB ASP 39 2HB ASP 39 -0.331 -0.741 10.208
318 H TYR 40 H TYR 40 2.930 1.456 8.208
319 HA TYR 40 HA TYR 40 3.785 -0.572 6.497
320 1HB TYR 40 1HB TYR 40 4.889 1.623 6.667
321 2HB TYR 40 2HB TYR 40 5.494 1.192 8.267
322 HD1 TYR 40 HD1 TYR 40 5.759 0.517 4.648
323 HD2 TYR 40 HD2 TYR 40 7.259 -0.469 8.554
324 HE1 TYR 40 HE1 TYR 40 7.687 -0.650 3.615
325 HE2 TYR 40 HE2 TYR 40 9.184 -1.639 7.519
326 HH TYR 40 HH TYR 40 10.196 -1.209 4.517
327 H HIS 41 H HIS 41 4.373 -0.217 9.999
328 HA HIS 41 HA HIS 41 6.040 -2.465 10.285
329 1HB HIS 41 1HB HIS 41 4.151 -1.474 12.417
330 2HB HIS 41 2HB HIS 41 5.734 -2.222 12.622
331 HD1 HIS 41 HD1 HIS 41 7.795 -0.744 11.532
332 HD2 HIS 41 HD2 HIS 41 4.250 1.286 12.362
333 HE1 HIS 41 HE1 HIS 41 8.372 1.724 11.571
334 HE2 HIS 41 HE2 HIS 41 6.220 2.972 12.076
335 H GLU 42 H GLU 42 2.524 -2.193 10.929
336 HA GLU 42 HA GLU 42 2.153 -4.910 11.595
337 1HB GLU 42 1HB GLU 42 0.544 -3.009 12.043
338 2HB GLU 42 2HB GLU 42 0.062 -3.119 10.351
339 1HG GLU 42 1HG GLU 42 -1.494 -4.524 11.380
340 2HG GLU 42 2HG GLU 42 -0.249 -5.669 10.891
341 H ILE 43 H ILE 43 1.548 -3.206 8.515
342 HA ILE 43 HA ILE 43 0.742 -5.521 7.103
343 HB ILE 43 HB ILE 43 1.760 -2.825 6.202
344 1HG1 ILE 43 1HG1 ILE 43 -0.964 -4.108 5.877
345 2HG1 ILE 43 2HG1 ILE 43 -0.531 -3.192 7.319
346 1HG2 ILE 43 1HG2 ILE 43 2.387 -4.291 4.415
347 2HG2 ILE 43 2HG2 ILE 43 0.846 -3.582 3.934
348 3HG2 ILE 43 3HG2 ILE 43 0.899 -5.226 4.569
349 1HD1 ILE 43 1HD1 ILE 43 -1.727 -1.860 5.521
350 2HD1 ILE 43 2HD1 ILE 43 -0.293 -2.068 4.516
351 3HD1 ILE 43 3HD1 ILE 43 -0.182 -1.188 6.040
352 H SER 44 H SER 44 3.910 -4.019 7.607
353 HA SER 44 HA SER 44 5.425 -5.402 5.720
354 1HB SER 44 1HB SER 44 6.558 -3.727 6.945
355 2HB SER 44 2HB SER 44 6.078 -4.411 8.495
356 HG SER 44 HG SER 44 7.452 -6.138 8.119
357 H SER 45 H SER 45 4.573 -6.378 9.044
358 HA SER 45 HA SER 45 5.863 -8.887 8.980
359 1HB SER 45 1HB SER 45 4.762 -9.321 11.011
360 2HB SER 45 2HB SER 45 4.934 -7.571 10.994
361 HG SER 45 HG SER 45 2.814 -8.176 11.536
362 H TYR 46 H TYR 46 2.649 -7.816 8.005
363 HA TYR 46 HA TYR 46 1.409 -10.314 7.664
364 1HB TYR 46 1HB TYR 46 0.386 -7.958 7.527
365 2HB TYR 46 2HB TYR 46 0.934 -7.949 5.852
366 HD1 TYR 46 HD1 TYR 46 0.150 -9.786 4.285
367 HD2 TYR 46 HD2 TYR 46 -1.557 -9.171 8.181
368 HE1 TYR 46 HE1 TYR 46 -1.840 -11.108 3.622
369 HE2 TYR 46 HE2 TYR 46 -3.547 -10.494 7.517
370 HH TYR 46 HH TYR 46 -3.690 -12.153 4.395
371 H LEU 47 H LEU 47 3.467 -8.422 5.494
372 HA LEU 47 HA LEU 47 3.201 -10.204 3.266
373 1HB LEU 47 1HB LEU 47 5.442 -8.244 3.822
374 2HB LEU 47 2HB LEU 47 4.975 -8.910 2.257
375 HG LEU 47 HG LEU 47 3.090 -7.271 3.968
376 1HD1 LEU 47 1HD1 LEU 47 4.794 -6.336 1.644
377 2HD1 LEU 47 2HD1 LEU 47 5.097 -5.943 3.337
378 3HD1 LEU 47 3HD1 LEU 47 3.632 -5.363 2.546
379 1HD2 LEU 47 1HD2 LEU 47 3.096 -8.119 1.056
380 2HD2 LEU 47 2HD2 LEU 47 1.938 -6.988 1.757
381 3HD2 LEU 47 3HD2 LEU 47 1.979 -8.662 2.309
382 H GLU 48 H GLU 48 5.649 -9.714 5.792
383 HA GLU 48 HA GLU 48 7.434 -11.735 4.922
384 1HB GLU 48 1HB GLU 48 6.974 -10.476 7.636
385 2HB GLU 48 2HB GLU 48 8.283 -11.610 7.296
386 1HG GLU 48 1HG GLU 48 8.991 -10.079 5.410
387 2HG GLU 48 2HG GLU 48 7.819 -8.908 6.006
388 H LEU 49 H LEU 49 4.470 -11.796 6.716
389 HA LEU 49 HA LEU 49 4.747 -14.315 7.989
390 1HB LEU 49 1HB LEU 49 2.463 -12.507 7.319
391 2HB LEU 49 2HB LEU 49 2.113 -14.163 7.808
392 HG LEU 49 HG LEU 49 4.062 -12.572 9.440
393 1HD1 LEU 49 1HD1 LEU 49 1.100 -12.125 9.257
394 2HD1 LEU 49 2HD1 LEU 49 2.393 -10.950 9.489
395 3HD1 LEU 49 3HD1 LEU 49 1.895 -11.984 10.825
396 1HD2 LEU 49 1HD2 LEU 49 3.671 -14.955 9.931
397 2HD2 LEU 49 2HD2 LEU 49 1.940 -14.652 10.079
398 3HD2 LEU 49 3HD2 LEU 49 3.061 -13.951 11.246
399 H ASN 50 H ASN 50 4.472 -13.497 4.735
400 HA ASN 50 HA ASN 50 3.972 -16.294 4.019
401 1HB ASN 50 1HB ASN 50 1.796 -14.853 4.021
402 2HB ASN 50 2HB ASN 50 2.457 -14.162 2.540
403 1HD2 ASN 50 1HD2 ASN 50 3.107 -15.843 0.820
404 2HD2 ASN 50 2HD2 ASN 50 2.156 -17.243 0.699
405 H ALA 51 H ALA 51 5.691 -16.794 2.894
406 HA ALA 51 HA ALA 51 7.561 -15.168 1.711
407 1HB ALA 51 1HB ALA 51 8.279 -17.159 0.450
408 2HB ALA 51 2HB ALA 51 6.769 -17.964 0.880
409 3HB ALA 51 3HB ALA 51 7.930 -17.537 2.137
410 H ASP 52 H ASP 52 4.448 -16.037 0.394
411 HA ASP 52 HA ASP 52 4.946 -15.728 -2.346
412 1HB ASP 52 1HB ASP 52 2.470 -15.077 -0.731
413 2HB ASP 52 2HB ASP 52 2.522 -15.057 -2.490
414 H TYR 53 H TYR 53 4.585 -13.350 0.195
415 HA TYR 53 HA TYR 53 4.583 -11.154 -1.753
416 1HB TYR 53 1HB TYR 53 4.294 -11.166 1.261
417 2HB TYR 53 2HB TYR 53 4.245 -9.721 0.251
418 HD1 TYR 53 HD1 TYR 53 2.244 -9.073 -0.843
419 HD2 TYR 53 HD2 TYR 53 2.607 -13.039 0.772
420 HE1 TYR 53 HE1 TYR 53 -0.153 -9.489 -1.318
421 HE2 TYR 53 HE2 TYR 53 0.210 -13.452 0.297
422 HH TYR 53 HH TYR 53 -1.711 -12.548 -0.373
423 H LEU 54 H LEU 54 6.680 -12.864 0.400
424 HA LEU 54 HA LEU 54 8.654 -10.984 0.973
425 1HB LEU 54 1HB LEU 54 8.633 -13.254 1.921
426 2HB LEU 54 2HB LEU 54 9.017 -13.924 0.336
427 HG LEU 54 HG LEU 54 11.115 -12.537 0.327
428 1HD1 LEU 54 1HD1 LEU 54 11.804 -11.805 2.719
429 2HD1 LEU 54 2HD1 LEU 54 10.080 -11.873 3.083
430 3HD1 LEU 54 3HD1 LEU 54 10.678 -10.775 1.837
431 1HD2 LEU 54 1HD2 LEU 54 10.798 -14.437 2.675
432 2HD2 LEU 54 2HD2 LEU 54 12.325 -13.979 1.920
433 3HD2 LEU 54 3HD2 LEU 54 11.138 -14.916 1.011
434 H HIS 55 H HIS 55 8.155 -12.932 -1.935
435 HA HIS 55 HA HIS 55 10.563 -12.079 -3.240
436 1HB HIS 55 1HB HIS 55 8.102 -13.209 -4.575
437 2HB HIS 55 2HB HIS 55 9.775 -13.302 -5.124
438 HD1 HIS 55 HD1 HIS 55 10.789 -13.981 -2.097
439 HD2 HIS 55 HD2 HIS 55 7.969 -16.072 -4.345
440 HE1 HIS 55 HE1 HIS 55 10.707 -16.324 -1.141
441 HE2 HIS 55 HE2 HIS 55 8.987 -17.610 -2.498
442 H THR 56 H THR 56 8.174 -10.201 -2.322
443 HA THR 56 HA THR 56 8.445 -8.416 -4.644
444 HB THR 56 HB THR 56 6.118 -7.929 -4.753
445 HG1 THR 56 HG1 THR 56 4.843 -9.416 -3.175
446 1HG2 THR 56 1HG2 THR 56 5.168 -10.071 -5.365
447 2HG2 THR 56 2HG2 THR 56 6.356 -10.921 -4.375
448 3HG2 THR 56 3HG2 THR 56 6.870 -10.057 -5.824
449 H MET 57 H MET 57 8.933 -8.891 -1.485
450 HA MET 57 HA MET 57 7.924 -6.699 -0.105
451 1HB MET 57 1HB MET 57 9.065 -8.257 1.221
452 2HB MET 57 2HB MET 57 10.445 -8.323 0.129
453 1HG MET 57 1HG MET 57 10.891 -7.085 2.277
454 2HG MET 57 2HG MET 57 11.192 -6.135 0.824
455 1HE MET 57 1HE MET 57 7.422 -6.919 2.104
456 2HE MET 57 2HE MET 57 7.543 -5.957 3.575
457 3HE MET 57 3HE MET 57 8.666 -7.287 3.306
458 H ALA 58 H ALA 58 10.470 -6.954 -2.456
459 HA ALA 58 HA ALA 58 11.760 -4.465 -2.046
460 1HB ALA 58 1HB ALA 58 12.693 -4.782 -4.243
461 2HB ALA 58 2HB ALA 58 11.415 -5.915 -4.680
462 3HB ALA 58 3HB ALA 58 12.613 -6.362 -3.466
463 H THR 59 H THR 59 8.997 -5.445 -4.007
464 HA THR 59 HA THR 59 8.591 -2.880 -5.217
465 HB THR 59 HB THR 59 6.632 -5.171 -4.912
466 HG1 THR 59 HG1 THR 59 7.580 -6.051 -6.602
467 1HG2 THR 59 1HG2 THR 59 6.748 -2.675 -6.588
468 2HG2 THR 59 2HG2 THR 59 5.392 -3.331 -5.669
469 3HG2 THR 59 3HG2 THR 59 5.892 -4.100 -7.175
470 H PHE 60 H PHE 60 7.221 -4.589 -2.424
471 HA PHE 60 HA PHE 60 5.145 -2.806 -1.812
472 1HB PHE 60 1HB PHE 60 5.289 -4.944 -0.692
473 2HB PHE 60 2HB PHE 60 6.855 -4.530 0.001
474 HD1 PHE 60 HD1 PHE 60 6.856 -3.825 2.221
475 HD2 PHE 60 HD2 PHE 60 3.402 -3.046 -0.215
476 HE1 PHE 60 HE1 PHE 60 5.720 -2.786 4.164
477 HE2 PHE 60 HE2 PHE 60 2.267 -2.007 1.730
478 HZ PHE 60 HZ PHE 60 3.425 -1.876 3.919
479 H ASP 61 H ASP 61 8.507 -2.871 -0.628
480 HA ASP 61 HA ASP 61 8.430 -0.602 0.996
481 1HB ASP 61 1HB ASP 61 10.328 -2.276 0.743
482 2HB ASP 61 2HB ASP 61 10.783 -1.413 -0.723
483 H GLU 62 H GLU 62 9.228 -0.903 -2.453
484 HA GLU 62 HA GLU 62 9.684 1.850 -2.932
485 1HB GLU 62 1HB GLU 62 10.526 0.297 -4.525
486 2HB GLU 62 2HB GLU 62 8.948 -0.461 -4.731
487 1HG GLU 62 1HG GLU 62 8.080 1.412 -5.910
488 2HG GLU 62 2HG GLU 62 9.411 2.449 -5.400
489 H ALA 63 H ALA 63 6.775 -0.163 -3.126
490 HA ALA 63 HA ALA 63 5.076 1.719 -4.350
491 1HB ALA 63 1HB ALA 63 4.084 -0.207 -2.267
492 2HB ALA 63 2HB ALA 63 4.689 -0.804 -3.812
493 3HB ALA 63 3HB ALA 63 3.313 0.298 -3.771
494 H TRP 64 H TRP 64 5.729 1.040 -0.922
495 HA TRP 64 HA TRP 64 3.966 2.862 0.240
496 1HB TRP 64 1HB TRP 64 5.444 1.114 1.389
497 2HB TRP 64 2HB TRP 64 6.738 2.310 1.308
498 HD1 TRP 64 HD1 TRP 64 6.283 4.675 2.580
499 HE1 TRP 64 HE1 TRP 64 4.874 5.187 4.677
500 HE3 TRP 64 HE3 TRP 64 3.394 0.467 2.754
501 HZ2 TRP 64 HZ2 TRP 64 2.798 3.973 6.224
502 HZ3 TRP 64 HZ3 TRP 64 1.712 0.172 4.548
503 HH2 TRP 64 HH2 TRP 64 1.410 1.919 6.281
504 H ASP 65 H ASP 65 7.357 3.348 -0.756
505 HA ASP 65 HA ASP 65 7.677 6.001 0.005
506 1HB ASP 65 1HB ASP 65 8.786 4.551 -2.410
507 2HB ASP 65 2HB ASP 65 9.338 6.134 -1.867
508 H GLN 66 H GLN 66 6.237 4.658 -2.933
509 HA GLN 66 HA GLN 66 5.743 7.187 -4.181
510 1HB GLN 66 1HB GLN 66 5.862 4.869 -5.298
511 2HB GLN 66 2HB GLN 66 4.209 4.645 -4.725
512 1HG GLN 66 1HG GLN 66 3.827 5.565 -6.830
513 2HG GLN 66 2HG GLN 66 3.811 7.008 -5.819
514 1HE2 GLN 66 1HE2 GLN 66 6.514 5.031 -7.189
515 2HE2 GLN 66 2HE2 GLN 66 7.292 6.352 -7.917
516 H TYR 67 H TYR 67 3.770 4.916 -2.288
517 HA TYR 67 HA TYR 67 1.304 6.187 -2.422
518 1HB TYR 67 1HB TYR 67 1.393 4.055 -1.378
519 2HB TYR 67 2HB TYR 67 2.615 4.582 -0.224
520 HD1 TYR 67 HD1 TYR 67 -0.890 5.361 -1.314
521 HD2 TYR 67 HD2 TYR 67 1.957 5.307 1.902
522 HE1 TYR 67 HE1 TYR 67 -2.672 6.034 0.273
523 HE2 TYR 67 HE2 TYR 67 0.175 5.982 3.489
524 HH TYR 67 HH TYR 67 -2.808 5.641 3.161
525 H GLU 68 H GLU 68 3.775 6.571 0.119
526 HA GLU 68 HA GLU 68 2.595 8.654 1.537
527 1HB GLU 68 1HB GLU 68 5.520 8.032 1.070
528 2HB GLU 68 2HB GLU 68 4.936 9.197 2.258
529 1HG GLU 68 1HG GLU 68 3.990 6.324 2.206
530 2HG GLU 68 2HG GLU 68 5.397 6.839 3.134
531 H SER 69 H SER 69 4.805 8.812 -1.232
532 HA SER 69 HA SER 69 5.180 11.561 -1.364
533 1HB SER 69 1HB SER 69 6.307 9.764 -2.762
534 2HB SER 69 2HB SER 69 4.876 9.785 -3.786
535 HG SER 69 HG SER 69 5.713 11.473 -4.692
536 H GLU 70 H GLU 70 2.396 9.645 -2.361
537 HA GLU 70 HA GLU 70 1.179 11.848 -3.816
538 1HB GLU 70 1HB GLU 70 -0.129 9.265 -2.948
539 2HB GLU 70 2HB GLU 70 -0.624 10.337 -4.258
540 1HG GLU 70 1HG GLU 70 2.153 9.482 -4.542
541 2HG GLU 70 2HG GLU 70 1.050 8.112 -4.493
542 H VAL 71 H VAL 71 0.989 10.413 -0.630
543 HA VAL 71 HA VAL 71 -1.300 12.089 0.119
544 HB VAL 71 HB VAL 71 0.222 10.249 1.963
545 1HG1 VAL 71 1HG1 VAL 71 -1.750 10.280 3.248
546 2HG1 VAL 71 2HG1 VAL 71 -2.740 10.806 1.888
547 3HG1 VAL 71 3HG1 VAL 71 -1.636 11.940 2.664
548 1HG2 VAL 71 1HG2 VAL 71 -0.279 8.618 0.423
549 2HG2 VAL 71 2HG2 VAL 71 -1.552 9.574 -0.334
550 3HG2 VAL 71 3HG2 VAL 71 -1.869 8.719 1.175
551 H HIS 72 H HIS 72 1.980 11.399 1.213
552 HA HIS 72 HA HIS 72 2.214 13.632 2.966
553 1HB HIS 72 1HB HIS 72 3.552 11.343 2.780
554 2HB HIS 72 2HB HIS 72 4.599 12.299 1.731
555 HD1 HIS 72 HD1 HIS 72 4.988 14.891 2.978
556 HD2 HIS 72 HD2 HIS 72 4.508 11.504 5.361
557 HE1 HIS 72 HE1 HIS 72 5.961 15.466 5.244
558 HE2 HIS 72 HE2 HIS 72 5.680 13.411 6.707
559 H GLY 73 H GLY 73 1.833 13.680 -0.259
560 1HA GLY 73 2HA GLY 73 3.938 15.252 -1.282
561 2HA GLY 73 1HA GLY 73 2.305 15.182 -1.937
562 H ARG 74 H ARG 74 1.916 16.012 1.208
563 HA ARG 74 HA ARG 74 1.355 18.774 0.588
564 1HB ARG 74 1HB ARG 74 0.839 18.774 3.138
565 2HB ARG 74 2HB ARG 74 -0.208 17.843 2.067
566 1HG ARG 74 1HG ARG 74 0.795 15.788 2.685
567 2HG ARG 74 2HG ARG 74 2.202 16.585 3.385
568 1HD ARG 74 1HD ARG 74 0.803 17.511 5.179
569 2HD ARG 74 2HD ARG 74 -0.622 16.751 4.476
570 HE ARG 74 HE ARG 74 1.448 15.443 6.025
571 1HH1 ARG 74 1HH2 ARG 74 -1.072 15.085 3.671
572 2HH1 ARG 74 2HH2 ARG 74 -1.332 13.407 4.009
573 1HH2 ARG 74 1HH1 ARG 74 1.107 13.245 6.463
574 2HH2 ARG 74 2HH1 ARG 74 -0.100 12.367 5.585
575 H LEU 75 H LEU 75 2.125 20.527 2.009
576 HA LEU 75 HA LEU 75 4.854 20.100 3.041
577 1HB LEU 75 1HB LEU 75 5.396 22.399 2.077
578 2HB LEU 75 2HB LEU 75 5.261 21.080 0.915
579 HG LEU 75 HG LEU 75 2.750 22.563 1.524
580 1HD1 LEU 75 1HD1 LEU 75 3.377 24.351 -0.111
581 2HD1 LEU 75 2HD1 LEU 75 5.035 23.749 -0.083
582 3HD1 LEU 75 3HD1 LEU 75 4.316 24.423 1.380
583 1HD2 LEU 75 1HD2 LEU 75 2.336 22.152 -0.827
584 2HD2 LEU 75 2HD2 LEU 75 2.987 20.667 -0.137
585 3HD2 LEU 75 3HD2 LEU 75 4.023 21.719 -1.100
586 H GLU 76 H GLU 76 2.221 20.321 4.300
587 HA GLU 76 HA GLU 76 2.884 22.403 6.226
588 1HB GLU 76 1HB GLU 76 0.483 23.242 6.144
589 2HB GLU 76 2HB GLU 76 1.503 23.706 4.781
590 1HG GLU 76 1HG GLU 76 0.523 22.081 3.350
591 2HG GLU 76 2HG GLU 76 -0.218 21.224 4.700
592 H HIS 77 H HIS 77 3.231 19.930 6.867
593 HA HIS 77 HA HIS 77 1.088 18.312 7.635
594 1HB HIS 77 1HB HIS 77 3.609 17.792 7.621
595 2HB HIS 77 2HB HIS 77 3.642 18.524 9.224
596 HD1 HIS 77 HD1 HIS 77 1.923 17.417 11.013
597 HD2 HIS 77 HD2 HIS 77 2.737 15.153 7.609
598 HE1 HIS 77 HE1 HIS 77 1.210 15.046 11.544
599 HE2 HIS 77 HE2 HIS 77 1.693 13.654 9.476
600 H HIS 78 H HIS 78 -0.260 18.240 9.362
601 HA HIS 78 HA HIS 78 0.188 20.039 11.640
602 1HB HIS 78 1HB HIS 78 -2.239 20.097 9.838
603 2HB HIS 78 2HB HIS 78 -2.258 20.737 11.480
604 HD1 HIS 78 HD1 HIS 78 0.350 22.191 11.713
605 HD2 HIS 78 HD2 HIS 78 -1.925 22.312 8.221
606 HE1 HIS 78 HE1 HIS 78 1.078 24.264 10.455
607 HE2 HIS 78 HE2 HIS 78 -0.305 24.357 8.327
608 H HIS 79 H HIS 79 -1.160 19.526 13.485
609 HA HIS 79 HA HIS 79 -1.706 16.659 13.649
610 1HB HIS 79 1HB HIS 79 -1.525 18.858 15.714
611 2HB HIS 79 2HB HIS 79 -2.046 17.221 16.109
612 HD1 HIS 79 HD1 HIS 79 0.166 17.008 17.577
613 HD2 HIS 79 HD2 HIS 79 0.815 17.428 13.479
614 HE1 HIS 79 HE1 HIS 79 2.575 16.349 17.161
615 HE2 HIS 79 HE2 HIS 79 2.987 16.606 14.669
616 H HIS 80 H HIS 80 -3.431 19.267 15.312
617 HA HIS 80 HA HIS 80 -5.875 18.932 13.860
618 1HB HIS 80 1HB HIS 80 -7.100 18.069 15.994
619 2HB HIS 80 2HB HIS 80 -6.263 16.908 14.966
620 HD1 HIS 80 HD1 HIS 80 -4.618 19.238 17.477
621 HD2 HIS 80 HD2 HIS 80 -5.320 15.164 16.937
622 HE1 HIS 80 HE1 HIS 80 -3.330 18.042 19.298
623 HE2 HIS 80 HE2 HIS 80 -3.739 15.556 18.977
624 H HIS 81 H HIS 81 -5.696 21.204 13.803
625 HA HIS 81 HA HIS 81 -6.593 22.517 16.285
626 1HB HIS 81 1HB HIS 81 -4.339 23.477 14.505
627 2HB HIS 81 2HB HIS 81 -5.070 24.427 15.798
628 HD1 HIS 81 HD1 HIS 81 -4.960 23.243 18.259
629 HD2 HIS 81 HD2 HIS 81 -2.327 21.776 15.378
630 HE1 HIS 81 HE1 HIS 81 -3.184 21.939 19.508
631 HE2 HIS 81 HE2 HIS 81 -1.570 21.040 17.766
632 H HIS 82 H HIS 82 -7.320 21.792 13.213
633 HA HIS 82 HA HIS 82 -8.082 24.258 12.051
634 1HB HIS 82 1HB HIS 82 -9.431 22.924 10.528
635 2HB HIS 82 2HB HIS 82 -7.885 22.119 10.793
636 HD1 HIS 82 HD1 HIS 82 -7.894 19.921 12.168
637 HD2 HIS 82 HD2 HIS 82 -11.683 21.583 11.663
638 HE1 HIS 82 HE1 HIS 82 -9.555 18.151 12.892
639 HE2 HIS 82 HE2 HIS 82 -11.869 19.152 12.595
Start of MODEL 9
1 1H MET 1 1HT MET 1 -4.724 11.235 4.489
2 2H MET 1 2HT MET 1 -5.851 10.836 5.695
3 3H MET 1 3HT MET 1 -6.375 11.164 4.113
4 HA MET 1 HA MET 1 -4.592 9.160 3.735
5 1HB MET 1 1HB MET 1 -6.132 8.764 6.314
6 2HB MET 1 2HB MET 1 -5.441 7.427 5.395
7 1HG MET 1 1HG MET 1 -3.724 7.899 6.904
8 2HG MET 1 2HG MET 1 -3.237 8.854 5.505
9 1HE MET 1 1HE MET 1 -2.513 9.045 8.651
10 2HE MET 1 2HE MET 1 -4.174 8.799 9.187
11 3HE MET 1 3HE MET 1 -3.350 10.311 9.560
12 H LYS 2 H LYS 2 -5.828 7.094 3.131
13 HA LYS 2 HA LYS 2 -8.676 7.455 2.644
14 1HB LYS 2 1HB LYS 2 -8.510 7.204 0.225
15 2HB LYS 2 2HB LYS 2 -7.611 8.630 0.739
16 1HG LYS 2 1HG LYS 2 -5.692 6.660 0.909
17 2HG LYS 2 2HG LYS 2 -6.630 6.136 -0.489
18 1HD LYS 2 1HD LYS 2 -5.596 8.965 -0.154
19 2HD LYS 2 2HD LYS 2 -4.712 7.709 -1.020
20 1HE LYS 2 1HE LYS 2 -7.578 8.351 -1.715
21 2HE LYS 2 2HE LYS 2 -6.245 9.274 -2.406
22 1HZ LYS 2 2HZ LYS 2 -5.498 7.499 -3.588
23 2HZ LYS 2 2HZ LYS 2 -7.155 7.121 -3.561
24 3HZ LYS 2 3HZ LYS 2 -6.088 6.354 -2.486
25 H SER 3 H SER 3 -5.948 5.559 3.141
26 HA SER 3 HA SER 3 -6.059 3.311 3.893
27 1HB SER 3 1HB SER 3 -8.573 3.291 3.539
28 2HB SER 3 2HB SER 3 -8.252 2.834 1.868
29 HG SER 3 HG SER 3 -7.553 1.457 4.243
30 H PHE 4 H PHE 4 -4.464 2.066 3.187
31 HA PHE 4 HA PHE 4 -3.141 2.469 0.759
32 1HB PHE 4 1HB PHE 4 -2.141 1.398 2.773
33 2HB PHE 4 2HB PHE 4 -3.105 -0.043 2.452
34 HD1 PHE 4 HD1 PHE 4 -2.578 -1.529 0.601
35 HD2 PHE 4 HD2 PHE 4 -0.331 2.080 1.233
36 HE1 PHE 4 HE1 PHE 4 -0.858 -2.317 -1.002
37 HE2 PHE 4 HE2 PHE 4 1.386 1.289 -0.371
38 HZ PHE 4 HZ PHE 4 1.123 -0.908 -1.488
39 H TYR 5 H TYR 5 -5.486 -0.048 1.679
40 HA TYR 5 HA TYR 5 -5.396 -1.549 -0.688
41 1HB TYR 5 1HB TYR 5 -6.532 -2.177 1.493
42 2HB TYR 5 2HB TYR 5 -7.867 -1.137 1.001
43 HD1 TYR 5 HD1 TYR 5 -6.096 -4.284 0.377
44 HD2 TYR 5 HD2 TYR 5 -9.221 -1.675 -1.002
45 HE1 TYR 5 HE1 TYR 5 -6.991 -6.106 -1.046
46 HE2 TYR 5 HE2 TYR 5 -10.115 -3.498 -2.426
47 HH TYR 5 HH TYR 5 -9.344 -6.667 -2.044
48 H HIS 6 H HIS 6 -7.507 1.185 0.207
49 HA HIS 6 HA HIS 6 -8.984 1.193 -2.220
50 1HB HIS 6 1HB HIS 6 -8.464 3.366 -0.202
51 2HB HIS 6 2HB HIS 6 -9.582 3.519 -1.556
52 HD1 HIS 6 HD1 HIS 6 -11.926 2.943 -0.954
53 HD2 HIS 6 HD2 HIS 6 -9.198 0.799 1.356
54 HE1 HIS 6 HE1 HIS 6 -13.292 1.512 0.627
55 HE2 HIS 6 HE2 HIS 6 -11.642 0.202 2.045
56 H TYR 7 H TYR 7 -6.083 2.945 -1.140
57 HA TYR 7 HA TYR 7 -5.796 4.604 -3.398
58 1HB TYR 7 1HB TYR 7 -4.387 4.966 -1.457
59 2HB TYR 7 2HB TYR 7 -3.717 3.341 -1.582
60 HD1 TYR 7 HD1 TYR 7 -3.831 6.691 -3.160
61 HD2 TYR 7 HD2 TYR 7 -1.993 2.808 -3.186
62 HE1 TYR 7 HE1 TYR 7 -2.072 7.534 -4.688
63 HE2 TYR 7 HE2 TYR 7 -0.233 3.652 -4.717
64 HH TYR 7 HH TYR 7 0.747 6.231 -5.147
65 H LEU 8 H LEU 8 -4.628 1.369 -2.633
66 HA LEU 8 HA LEU 8 -3.360 0.778 -5.070
67 1HB LEU 8 1HB LEU 8 -3.500 -0.492 -2.721
68 2HB LEU 8 2HB LEU 8 -4.752 -1.392 -3.574
69 HG LEU 8 HG LEU 8 -3.082 -1.716 -5.461
70 1HD1 LEU 8 1HD1 LEU 8 -1.428 -0.083 -5.129
71 2HD1 LEU 8 2HD1 LEU 8 -0.645 -1.541 -4.518
72 3HD1 LEU 8 3HD1 LEU 8 -1.347 -0.378 -3.392
73 1HD2 LEU 8 1HD2 LEU 8 -1.750 -3.442 -4.123
74 2HD2 LEU 8 2HD2 LEU 8 -3.504 -3.569 -4.002
75 3HD2 LEU 8 3HD2 LEU 8 -2.580 -2.836 -2.691
76 H LEU 9 H LEU 9 -6.757 0.767 -4.097
77 HA LEU 9 HA LEU 9 -7.763 -0.912 -6.129
78 1HB LEU 9 1HB LEU 9 -8.880 1.000 -4.235
79 2HB LEU 9 2HB LEU 9 -9.744 1.005 -5.769
80 HG LEU 9 HG LEU 9 -9.095 -1.481 -4.153
81 1HD1 LEU 9 1HD1 LEU 9 -10.749 -0.134 -2.982
82 2HD1 LEU 9 2HD1 LEU 9 -11.561 -1.508 -3.730
83 3HD1 LEU 9 3HD1 LEU 9 -11.670 0.089 -4.469
84 1HD2 LEU 9 1HD2 LEU 9 -9.379 -2.349 -6.262
85 2HD2 LEU 9 2HD2 LEU 9 -10.299 -0.956 -6.827
86 3HD2 LEU 9 3HD2 LEU 9 -11.083 -2.189 -5.841
87 H LYS 10 H LYS 10 -6.526 2.306 -6.247
88 HA LYS 10 HA LYS 10 -7.764 3.136 -8.687
89 1HB LYS 10 1HB LYS 10 -6.576 4.581 -6.908
90 2HB LYS 10 2HB LYS 10 -5.077 4.083 -7.691
91 1HG LYS 10 1HG LYS 10 -5.875 4.975 -9.833
92 2HG LYS 10 2HG LYS 10 -7.406 5.427 -9.087
93 1HD LYS 10 1HD LYS 10 -4.712 6.472 -8.167
94 2HD LYS 10 2HD LYS 10 -5.765 7.331 -9.289
95 1HE LYS 10 1HE LYS 10 -6.551 8.277 -7.353
96 2HE LYS 10 2HE LYS 10 -7.547 6.824 -7.320
97 1HZ LYS 10 2HZ LYS 10 -6.558 6.220 -5.451
98 2HZ LYS 10 2HZ LYS 10 -5.629 7.642 -5.468
99 3HZ LYS 10 3HZ LYS 10 -5.041 6.231 -6.210
100 H TYR 11 H TYR 11 -5.172 1.066 -7.853
101 HA TYR 11 HA TYR 11 -4.051 1.021 -10.555
102 1HB TYR 11 1HB TYR 11 -3.165 -0.073 -7.888
103 2HB TYR 11 2HB TYR 11 -2.470 -0.675 -9.389
104 HD1 TYR 11 HD1 TYR 11 -2.810 2.247 -7.172
105 HD2 TYR 11 HD2 TYR 11 -1.107 0.753 -10.823
106 HE1 TYR 11 HE1 TYR 11 -1.335 4.235 -7.299
107 HE2 TYR 11 HE2 TYR 11 0.368 2.740 -10.948
108 HH TYR 11 HH TYR 11 -0.019 5.456 -8.780
109 H ARG 12 H ARG 12 -6.609 0.246 -10.440
110 HA ARG 12 HA ARG 12 -7.611 -2.144 -9.905
111 1HB ARG 12 1HB ARG 12 -8.229 -0.200 -11.740
112 2HB ARG 12 2HB ARG 12 -7.939 -1.597 -12.775
113 1HG ARG 12 1HG ARG 12 -10.137 -2.023 -12.282
114 2HG ARG 12 2HG ARG 12 -9.421 -2.789 -10.865
115 1HD ARG 12 1HD ARG 12 -9.595 -0.166 -10.057
116 2HD ARG 12 2HD ARG 12 -11.032 -0.329 -11.062
117 HE ARG 12 HE ARG 12 -10.631 -2.468 -9.132
118 1HH1 ARG 12 1HH2 ARG 12 -12.025 0.635 -9.810
119 2HH1 ARG 12 2HH2 ARG 12 -13.276 0.480 -8.623
120 1HH2 ARG 12 1HH1 ARG 12 -12.273 -2.666 -7.580
121 2HH2 ARG 12 2HH1 ARG 12 -13.418 -1.384 -7.366
122 H HIS 13 H HIS 13 -7.701 -4.226 -10.740
123 HA HIS 13 HA HIS 13 -5.230 -5.391 -11.462
124 1HB HIS 13 1HB HIS 13 -6.547 -6.862 -10.280
125 2HB HIS 13 2HB HIS 13 -8.034 -6.326 -11.053
126 HD1 HIS 13 HD1 HIS 13 -5.493 -8.954 -11.178
127 HD2 HIS 13 HD2 HIS 13 -8.301 -7.374 -13.823
128 HE1 HIS 13 HE1 HIS 13 -5.747 -10.644 -13.047
129 HE2 HIS 13 HE2 HIS 13 -7.452 -9.692 -14.670
130 HA PRO 14 HA PRO 14 -7.627 -6.056 -15.773
131 1HB PRO 14 1HB PRO 14 -8.712 -3.270 -15.811
132 2HB PRO 14 2HB PRO 14 -9.395 -4.759 -16.491
133 1HG PRO 14 1HG PRO 14 -10.330 -3.695 -14.234
134 2HG PRO 14 2HG PRO 14 -10.250 -5.448 -14.481
135 1HD PRO 14 1HD PRO 14 -8.558 -3.718 -12.751
136 2HD PRO 14 2HD PRO 14 -8.977 -5.433 -12.565
137 H LYS 15 H LYS 15 -6.151 -5.894 -17.325
138 HA LYS 15 HA LYS 15 -4.343 -5.207 -18.547
139 1HB LYS 15 1HB LYS 15 -5.538 -2.459 -18.132
140 2HB LYS 15 2HB LYS 15 -4.449 -2.950 -19.428
141 1HG LYS 15 1HG LYS 15 -7.207 -4.121 -18.945
142 2HG LYS 15 2HG LYS 15 -6.824 -2.908 -20.166
143 1HD LYS 15 1HD LYS 15 -4.959 -4.712 -20.828
144 2HD LYS 15 2HD LYS 15 -6.126 -5.812 -20.093
145 1HE LYS 15 1HE LYS 15 -6.672 -3.864 -22.353
146 2HE LYS 15 2HE LYS 15 -6.588 -5.620 -22.484
147 1HZ LYS 15 2HZ LYS 15 -8.703 -5.754 -21.895
148 2HZ LYS 15 2HZ LYS 15 -8.801 -4.057 -21.841
149 3HZ LYS 15 3HZ LYS 15 -8.396 -4.933 -20.443
150 HA PRO 16 HA PRO 16 -2.000 -3.541 -14.870
151 1HB PRO 16 1HB PRO 16 -0.826 -5.776 -13.969
152 2HB PRO 16 2HB PRO 16 -2.490 -5.358 -13.526
153 1HG PRO 16 1HG PRO 16 -1.516 -7.311 -15.552
154 2HG PRO 16 2HG PRO 16 -2.864 -7.446 -14.414
155 1HD PRO 16 1HD PRO 16 -3.139 -6.758 -17.085
156 2HD PRO 16 2HD PRO 16 -4.326 -6.376 -15.827
157 H LYS 17 H LYS 17 -0.082 -6.192 -15.499
158 HA LYS 17 HA LYS 17 1.832 -6.624 -16.698
159 1HB LYS 17 1HB LYS 17 1.270 -4.089 -18.248
160 2HB LYS 17 2HB LYS 17 2.341 -5.408 -18.710
161 1HG LYS 17 1HG LYS 17 0.553 -6.890 -19.118
162 2HG LYS 17 2HG LYS 17 -0.587 -5.921 -18.188
163 1HD LYS 17 1HD LYS 17 0.726 -4.829 -20.679
164 2HD LYS 17 2HD LYS 17 -0.746 -5.797 -20.766
165 1HE LYS 17 1HE LYS 17 -1.585 -4.118 -18.898
166 2HE LYS 17 2HE LYS 17 -0.337 -3.073 -19.577
167 1HZ LYS 17 2HZ LYS 17 -2.723 -4.197 -20.897
168 2HZ LYS 17 2HZ LYS 17 -1.385 -3.679 -21.808
169 3HZ LYS 17 3HZ LYS 17 -2.216 -2.580 -20.813
170 H ASP 18 H ASP 18 1.244 -3.573 -15.181
171 HA ASP 18 HA ASP 18 4.042 -2.779 -15.158
172 1HB ASP 18 1HB ASP 18 1.549 -1.670 -13.865
173 2HB ASP 18 2HB ASP 18 3.153 -1.019 -13.534
174 H SER 19 H SER 19 5.456 -2.960 -13.422
175 HA SER 19 HA SER 19 5.252 -5.152 -11.729
176 1HB SER 19 1HB SER 19 6.833 -2.618 -11.243
177 2HB SER 19 2HB SER 19 7.132 -4.190 -10.513
178 HG SER 19 HG SER 19 7.670 -5.000 -12.498
179 H ILE 20 H ILE 20 4.511 -1.739 -11.058
180 HA ILE 20 HA ILE 20 3.764 -2.127 -8.348
181 HB ILE 20 HB ILE 20 4.338 0.073 -9.570
182 1HG1 ILE 20 1HG1 ILE 20 1.869 0.006 -7.804
183 2HG1 ILE 20 2HG1 ILE 20 3.520 -0.147 -7.207
184 1HG2 ILE 20 1HG2 ILE 20 1.357 0.044 -10.110
185 2HG2 ILE 20 2HG2 ILE 20 2.559 -0.325 -11.346
186 3HG2 ILE 20 3HG2 ILE 20 2.529 1.269 -10.596
187 1HD1 ILE 20 1HD1 ILE 20 3.884 2.093 -8.574
188 2HD1 ILE 20 2HD1 ILE 20 3.187 2.138 -6.955
189 3HD1 ILE 20 3HD1 ILE 20 2.139 2.247 -8.367
190 H SER 21 H SER 21 1.924 -2.033 -11.379
191 HA SER 21 HA SER 21 -0.638 -2.342 -10.204
192 1HB SER 21 1HB SER 21 -1.438 -2.690 -12.401
193 2HB SER 21 2HB SER 21 -0.075 -1.591 -12.588
194 HG SER 21 HG SER 21 0.052 -3.304 -14.072
195 H GLU 22 H GLU 22 1.802 -4.624 -11.344
196 HA GLU 22 HA GLU 22 0.304 -6.987 -11.260
197 1HB GLU 22 1HB GLU 22 3.238 -6.483 -10.722
198 2HB GLU 22 2HB GLU 22 2.532 -8.095 -10.845
199 1HG GLU 22 1HG GLU 22 1.717 -6.380 -13.064
200 2HG GLU 22 2HG GLU 22 3.470 -6.545 -12.972
201 H PHE 23 H PHE 23 2.015 -5.213 -8.726
202 HA PHE 23 HA PHE 23 1.657 -7.101 -6.648
203 1HB PHE 23 1HB PHE 23 3.169 -5.101 -6.528
204 2HB PHE 23 2HB PHE 23 1.740 -4.076 -6.413
205 HD1 PHE 23 HD1 PHE 23 0.985 -3.502 -4.286
206 HD2 PHE 23 HD2 PHE 23 3.153 -7.172 -4.816
207 HE1 PHE 23 HE1 PHE 23 0.877 -3.919 -1.845
208 HE2 PHE 23 HE2 PHE 23 3.044 -7.588 -2.374
209 HZ PHE 23 HZ PHE 23 1.905 -5.962 -0.889
210 H ALA 24 H ALA 24 -0.255 -4.368 -7.819
211 HA ALA 24 HA ALA 24 -2.371 -4.475 -5.982
212 1HB ALA 24 1HB ALA 24 -3.497 -3.014 -7.404
213 2HB ALA 24 2HB ALA 24 -2.824 -3.750 -8.859
214 3HB ALA 24 3HB ALA 24 -1.812 -2.726 -7.841
215 H ASN 25 H ASN 25 -1.927 -6.143 -9.105
216 HA ASN 25 HA ASN 25 -4.438 -7.336 -9.327
217 1HB ASN 25 1HB ASN 25 -1.748 -8.463 -10.152
218 2HB ASN 25 2HB ASN 25 -3.307 -9.085 -10.683
219 1HD2 ASN 25 1HD2 ASN 25 -4.516 -7.807 -12.265
220 2HD2 ASN 25 2HD2 ASN 25 -3.828 -6.473 -13.042
221 H GLN 26 H GLN 26 -1.518 -8.557 -7.688
222 HA GLN 26 HA GLN 26 -2.640 -10.991 -6.795
223 1HB GLN 26 1HB GLN 26 -0.203 -10.504 -6.806
224 2HB GLN 26 2HB GLN 26 -0.446 -9.354 -5.494
225 1HG GLN 26 1HG GLN 26 0.302 -11.537 -4.623
226 2HG GLN 26 2HG GLN 26 -1.324 -11.159 -4.061
227 1HE2 GLN 26 1HE2 GLN 26 0.531 -13.231 -6.269
228 2HE2 GLN 26 2HE2 GLN 26 -0.732 -14.322 -6.577
229 H ALA 27 H ALA 27 -2.235 -7.862 -5.141
230 HA ALA 27 HA ALA 27 -3.498 -8.526 -2.727
231 1HB ALA 27 1HB ALA 27 -3.889 -6.045 -2.541
232 2HB ALA 27 2HB ALA 27 -3.268 -5.884 -4.183
233 3HB ALA 27 3HB ALA 27 -2.221 -6.491 -2.900
234 H TYR 28 H TYR 28 -4.793 -7.600 -5.847
235 HA TYR 28 HA TYR 28 -7.420 -6.927 -5.092
236 1HB TYR 28 1HB TYR 28 -6.294 -6.579 -7.353
237 2HB TYR 28 2HB TYR 28 -6.660 -8.269 -7.688
238 HD1 TYR 28 HD1 TYR 28 -8.944 -9.023 -8.040
239 HD2 TYR 28 HD2 TYR 28 -8.098 -4.922 -7.077
240 HE1 TYR 28 HE1 TYR 28 -11.252 -8.396 -8.687
241 HE2 TYR 28 HE2 TYR 28 -10.408 -4.297 -7.725
242 HH TYR 28 HH TYR 28 -12.840 -6.699 -8.407
243 H GLU 29 H GLU 29 -5.841 -10.018 -5.436
244 HA GLU 29 HA GLU 29 -8.327 -11.516 -5.509
245 1HB GLU 29 1HB GLU 29 -5.669 -12.782 -4.972
246 2HB GLU 29 2HB GLU 29 -7.027 -13.378 -5.920
247 1HG GLU 29 1HG GLU 29 -6.514 -11.339 -7.477
248 2HG GLU 29 2HG GLU 29 -4.937 -11.362 -6.692
249 H ASP 30 H ASP 30 -6.802 -9.882 -3.124
250 HA ASP 30 HA ASP 30 -6.916 -11.857 -1.017
251 1HB ASP 30 1HB ASP 30 -5.520 -9.557 -1.296
252 2HB ASP 30 2HB ASP 30 -6.871 -8.969 -0.330
253 H HIS 31 H HIS 31 -8.051 -10.465 1.060
254 HA HIS 31 HA HIS 31 -10.613 -9.381 0.590
255 1HB HIS 31 1HB HIS 31 -12.014 -11.302 1.297
256 2HB HIS 31 2HB HIS 31 -11.194 -11.615 -0.231
257 HD1 HIS 31 HD1 HIS 31 -9.387 -13.447 -0.266
258 HD2 HIS 31 HD2 HIS 31 -10.977 -12.785 3.530
259 HE1 HIS 31 HE1 HIS 31 -8.557 -15.339 1.199
260 HE2 HIS 31 HE2 HIS 31 -9.515 -14.948 3.518
261 H SER 32 H SER 32 -8.378 -11.095 2.660
262 HA SER 32 HA SER 32 -9.718 -10.147 5.087
263 1HB SER 32 1HB SER 32 -8.005 -11.496 6.257
264 2HB SER 32 2HB SER 32 -8.899 -12.452 5.078
265 HG SER 32 HG SER 32 -6.327 -11.284 4.793
266 H PHE 33 H PHE 33 -7.579 -8.944 2.876
267 HA PHE 33 HA PHE 33 -5.452 -7.827 4.234
268 1HB PHE 33 1HB PHE 33 -5.915 -7.659 1.767
269 2HB PHE 33 2HB PHE 33 -7.102 -6.406 2.129
270 HD1 PHE 33 HD1 PHE 33 -3.546 -7.220 1.896
271 HD2 PHE 33 HD2 PHE 33 -6.387 -4.244 3.137
272 HE1 PHE 33 HE1 PHE 33 -1.735 -5.527 1.986
273 HE2 PHE 33 HE2 PHE 33 -4.576 -2.554 3.227
274 HZ PHE 33 HZ PHE 33 -2.251 -3.195 2.652
275 HA PRO 34 HA PRO 34 -7.379 -5.138 7.204
276 1HB PRO 34 1HB PRO 34 -5.235 -3.504 7.736
277 2HB PRO 34 2HB PRO 34 -5.394 -5.153 8.367
278 1HG PRO 34 1HG PRO 34 -3.808 -4.155 6.056
279 2HG PRO 34 2HG PRO 34 -3.387 -5.370 7.275
280 1HD PRO 34 1HD PRO 34 -4.214 -6.034 4.764
281 2HD PRO 34 2HD PRO 34 -4.522 -7.063 6.178
282 H LYS 35 H LYS 35 -8.371 -4.461 4.834
283 HA LYS 35 HA LYS 35 -7.678 -2.020 3.660
284 1HB LYS 35 1HB LYS 35 -9.992 -1.986 2.808
285 2HB LYS 35 2HB LYS 35 -9.269 -3.586 2.647
286 1HG LYS 35 1HG LYS 35 -10.352 -3.956 5.044
287 2HG LYS 35 2HG LYS 35 -11.423 -2.658 4.517
288 1HD LYS 35 1HD LYS 35 -10.877 -5.138 2.863
289 2HD LYS 35 2HD LYS 35 -12.242 -4.992 3.969
290 1HE LYS 35 1HE LYS 35 -13.011 -2.978 2.733
291 2HE LYS 35 2HE LYS 35 -11.671 -3.181 1.603
292 1HZ LYS 35 2HZ LYS 35 -12.533 -5.271 0.913
293 2HZ LYS 35 2HZ LYS 35 -13.806 -4.148 0.840
294 3HZ LYS 35 3HZ LYS 35 -13.721 -5.260 2.122
295 H THR 36 H THR 36 -9.283 -2.689 6.661
296 HA THR 36 HA THR 36 -10.214 0.080 6.927
297 HB THR 36 HB THR 36 -11.756 -1.744 7.545
298 HG1 THR 36 HG1 THR 36 -11.227 0.372 8.883
299 1HG2 THR 36 1HG2 THR 36 -11.290 -3.190 9.434
300 2HG2 THR 36 2HG2 THR 36 -9.763 -2.365 9.741
301 3HG2 THR 36 3HG2 THR 36 -9.962 -3.336 8.283
302 H SER 37 H SER 37 -7.355 -0.478 6.917
303 HA SER 37 HA SER 37 -6.493 1.147 9.027
304 1HB SER 37 1HB SER 37 -7.110 -0.854 10.414
305 2HB SER 37 2HB SER 37 -5.906 -1.784 9.533
306 HG SER 37 HG SER 37 -5.582 0.372 11.313
307 H THR 38 H THR 38 -4.683 2.028 8.216
308 HA THR 38 HA THR 38 -2.882 0.286 6.645
309 HB THR 38 HB THR 38 -4.060 1.713 5.078
310 HG1 THR 38 HG1 THR 38 -1.458 2.695 5.633
311 1HG2 THR 38 1HG2 THR 38 -4.399 3.989 5.337
312 2HG2 THR 38 2HG2 THR 38 -2.973 4.194 6.352
313 3HG2 THR 38 3HG2 THR 38 -4.438 3.479 7.024
314 H ASP 39 H ASP 39 -1.159 0.004 7.848
315 HA ASP 39 HA ASP 39 0.331 2.337 8.801
316 1HB ASP 39 1HB ASP 39 -0.792 1.810 10.812
317 2HB ASP 39 2HB ASP 39 -0.660 0.078 10.534
318 H TYR 40 H TYR 40 2.437 2.117 8.253
319 HA TYR 40 HA TYR 40 3.424 0.142 6.641
320 1HB TYR 40 1HB TYR 40 4.587 2.286 7.133
321 2HB TYR 40 2HB TYR 40 5.068 1.635 8.701
322 HD1 TYR 40 HD1 TYR 40 5.224 0.879 5.032
323 HD2 TYR 40 HD2 TYR 40 7.038 0.358 8.892
324 HE1 TYR 40 HE1 TYR 40 7.157 -0.254 3.971
325 HE2 TYR 40 HE2 TYR 40 8.970 -0.775 7.830
326 HH TYR 40 HH TYR 40 9.278 -0.975 4.312
327 H HIS 41 H HIS 41 3.675 0.219 10.205
328 HA HIS 41 HA HIS 41 5.114 -2.203 10.454
329 1HB HIS 41 1HB HIS 41 4.599 -0.349 12.223
330 2HB HIS 41 2HB HIS 41 3.141 -1.291 12.528
331 HD1 HIS 41 HD1 HIS 41 3.779 -4.050 12.756
332 HD2 HIS 41 HD2 HIS 41 6.672 -1.237 13.805
333 HE1 HIS 41 HE1 HIS 41 5.442 -5.252 14.240
334 HE2 HIS 41 HE2 HIS 41 7.213 -3.551 14.887
335 H GLU 42 H GLU 42 1.631 -1.507 10.653
336 HA GLU 42 HA GLU 42 0.758 -4.145 11.117
337 1HB GLU 42 1HB GLU 42 -0.673 -2.189 11.480
338 2HB GLU 42 2HB GLU 42 -0.679 -1.861 9.747
339 1HG GLU 42 1HG GLU 42 -1.627 -4.214 9.440
340 2HG GLU 42 2HG GLU 42 -1.872 -4.242 11.184
341 H ILE 43 H ILE 43 0.945 -2.296 8.069
342 HA ILE 43 HA ILE 43 0.046 -4.389 6.397
343 HB ILE 43 HB ILE 43 1.878 -2.087 5.672
344 1HG1 ILE 43 1HG1 ILE 43 -0.123 -1.207 6.738
345 2HG1 ILE 43 2HG1 ILE 43 -0.271 -0.963 5.003
346 1HG2 ILE 43 1HG2 ILE 43 0.729 -2.401 3.431
347 2HG2 ILE 43 2HG2 ILE 43 0.068 -3.909 4.063
348 3HG2 ILE 43 3HG2 ILE 43 1.812 -3.712 3.899
349 1HD1 ILE 43 1HD1 ILE 43 -1.700 -2.934 6.766
350 2HD1 ILE 43 2HD1 ILE 43 -1.497 -3.277 5.048
351 3HD1 ILE 43 3HD1 ILE 43 -2.368 -1.833 5.562
352 H SER 44 H SER 44 3.351 -3.273 7.165
353 HA SER 44 HA SER 44 4.812 -5.016 5.591
354 1HB SER 44 1HB SER 44 5.885 -3.253 6.884
355 2HB SER 44 2HB SER 44 5.440 -4.048 8.391
356 HG SER 44 HG SER 44 6.783 -5.750 7.851
357 H SER 45 H SER 45 3.362 -5.599 8.773
358 HA SER 45 HA SER 45 4.438 -8.187 9.178
359 1HB SER 45 1HB SER 45 3.254 -6.637 10.869
360 2HB SER 45 2HB SER 45 1.755 -7.294 10.218
361 HG SER 45 HG SER 45 3.015 -9.405 10.594
362 H TYR 46 H TYR 46 1.484 -7.017 7.622
363 HA TYR 46 HA TYR 46 0.208 -9.489 7.213
364 1HB TYR 46 1HB TYR 46 -0.765 -7.167 6.863
365 2HB TYR 46 2HB TYR 46 0.088 -7.131 5.322
366 HD1 TYR 46 HD1 TYR 46 -0.785 -8.242 3.414
367 HD2 TYR 46 HD2 TYR 46 -2.412 -9.070 7.305
368 HE1 TYR 46 HE1 TYR 46 -2.616 -9.548 2.371
369 HE2 TYR 46 HE2 TYR 46 -4.242 -10.377 6.260
370 HH TYR 46 HH TYR 46 -4.604 -10.535 2.738
371 H LEU 47 H LEU 47 2.722 -7.817 5.399
372 HA LEU 47 HA LEU 47 2.684 -9.637 3.172
373 1HB LEU 47 1HB LEU 47 4.902 -7.760 4.028
374 2HB LEU 47 2HB LEU 47 4.673 -8.474 2.432
375 HG LEU 47 HG LEU 47 2.672 -6.630 3.770
376 1HD1 LEU 47 1HD1 LEU 47 4.774 -5.446 3.246
377 2HD1 LEU 47 2HD1 LEU 47 3.471 -4.928 2.178
378 3HD1 LEU 47 3HD1 LEU 47 4.699 -6.047 1.591
379 1HD2 LEU 47 1HD2 LEU 47 1.610 -8.082 2.153
380 2HD2 LEU 47 2HD2 LEU 47 2.903 -7.813 0.985
381 3HD2 LEU 47 3HD2 LEU 47 1.800 -6.501 1.396
382 H GLU 48 H GLU 48 4.841 -9.148 5.967
383 HA GLU 48 HA GLU 48 6.570 -11.325 5.425
384 1HB GLU 48 1HB GLU 48 5.893 -9.886 7.999
385 2HB GLU 48 2HB GLU 48 7.163 -11.105 7.861
386 1HG GLU 48 1HG GLU 48 8.268 -9.768 6.119
387 2HG GLU 48 2HG GLU 48 7.006 -8.547 6.240
388 H LEU 49 H LEU 49 3.420 -11.112 6.795
389 HA LEU 49 HA LEU 49 3.373 -13.511 8.310
390 1HB LEU 49 1HB LEU 49 1.347 -11.635 7.200
391 2HB LEU 49 2HB LEU 49 0.793 -13.253 7.626
392 HG LEU 49 HG LEU 49 2.523 -11.771 9.575
393 1HD1 LEU 49 1HD1 LEU 49 -0.221 -11.023 8.730
394 2HD1 LEU 49 2HD1 LEU 49 1.031 -10.042 9.489
395 3HD1 LEU 49 3HD1 LEU 49 0.048 -11.126 10.470
396 1HD2 LEU 49 1HD2 LEU 49 1.502 -13.190 11.147
397 2HD2 LEU 49 2HD2 LEU 49 1.611 -14.220 9.721
398 3HD2 LEU 49 3HD2 LEU 49 0.081 -13.447 10.134
399 H ASN 50 H ASN 50 3.539 -12.975 4.972
400 HA ASN 50 HA ASN 50 3.116 -15.819 4.450
401 1HB ASN 50 1HB ASN 50 0.902 -14.616 4.110
402 2HB ASN 50 2HB ASN 50 1.671 -13.757 2.777
403 1HD2 ASN 50 1HD2 ASN 50 -0.188 -15.044 1.603
404 2HD2 ASN 50 2HD2 ASN 50 0.229 -16.585 1.028
405 H ALA 51 H ALA 51 4.904 -16.414 3.466
406 HA ALA 51 HA ALA 51 6.827 -14.791 2.290
407 1HB ALA 51 1HB ALA 51 6.342 -17.630 1.406
408 2HB ALA 51 2HB ALA 51 6.982 -17.257 3.007
409 3HB ALA 51 3HB ALA 51 7.875 -16.773 1.565
410 H ASP 52 H ASP 52 3.839 -15.945 0.970
411 HA ASP 52 HA ASP 52 4.377 -15.932 -1.773
412 1HB ASP 52 1HB ASP 52 1.857 -15.201 -0.266
413 2HB ASP 52 2HB ASP 52 1.929 -15.395 -2.016
414 H TYR 53 H TYR 53 3.990 -13.279 0.463
415 HA TYR 53 HA TYR 53 3.817 -11.320 -1.716
416 1HB TYR 53 1HB TYR 53 3.530 -11.158 1.280
417 2HB TYR 53 2HB TYR 53 3.713 -9.708 0.293
418 HD1 TYR 53 HD1 TYR 53 1.878 -8.817 -0.916
419 HD2 TYR 53 HD2 TYR 53 1.642 -12.790 0.703
420 HE1 TYR 53 HE1 TYR 53 -0.525 -8.918 -1.514
421 HE2 TYR 53 HE2 TYR 53 -0.761 -12.890 0.105
422 HH TYR 53 HH TYR 53 -2.203 -11.238 -1.995
423 H LEU 54 H LEU 54 6.091 -12.707 0.487
424 HA LEU 54 HA LEU 54 8.019 -10.697 0.702
425 1HB LEU 54 1HB LEU 54 8.097 -12.817 1.964
426 2HB LEU 54 2HB LEU 54 8.457 -13.688 0.473
427 HG LEU 54 HG LEU 54 10.530 -12.359 0.202
428 1HD1 LEU 54 1HD1 LEU 54 9.509 -11.068 2.732
429 2HD1 LEU 54 2HD1 LEU 54 10.092 -10.294 1.259
430 3HD1 LEU 54 3HD1 LEU 54 11.231 -11.078 2.352
431 1HD2 LEU 54 1HD2 LEU 54 10.737 -14.473 1.357
432 2HD2 LEU 54 2HD2 LEU 54 10.157 -13.763 2.864
433 3HD2 LEU 54 3HD2 LEU 54 11.731 -13.298 2.218
434 H HIS 55 H HIS 55 7.305 -12.906 -1.935
435 HA HIS 55 HA HIS 55 9.677 -12.405 -3.444
436 1HB HIS 55 1HB HIS 55 6.986 -13.469 -4.330
437 2HB HIS 55 2HB HIS 55 8.471 -13.525 -5.280
438 HD1 HIS 55 HD1 HIS 55 6.977 -14.882 -2.073
439 HD2 HIS 55 HD2 HIS 55 10.227 -15.599 -4.585
440 HE1 HIS 55 HE1 HIS 55 8.051 -17.026 -1.259
441 HE2 HIS 55 HE2 HIS 55 10.039 -17.473 -2.774
442 H THR 56 H THR 56 7.445 -10.213 -2.631
443 HA THR 56 HA THR 56 7.987 -8.607 -5.013
444 HB THR 56 HB THR 56 5.837 -9.645 -5.545
445 HG1 THR 56 HG1 THR 56 5.335 -7.007 -4.691
446 1HG2 THR 56 1HG2 THR 56 5.020 -8.535 -2.854
447 2HG2 THR 56 2HG2 THR 56 4.987 -10.218 -3.376
448 3HG2 THR 56 3HG2 THR 56 3.860 -9.058 -4.073
449 H MET 57 H MET 57 8.395 -8.862 -1.945
450 HA MET 57 HA MET 57 7.254 -6.733 -0.581
451 1HB MET 57 1HB MET 57 8.541 -8.217 0.705
452 2HB MET 57 2HB MET 57 9.919 -8.119 -0.387
453 1HG MET 57 1HG MET 57 10.260 -6.871 1.758
454 2HG MET 57 2HG MET 57 10.394 -5.849 0.329
455 1HE MET 57 1HE MET 57 6.912 -6.209 3.253
456 2HE MET 57 2HE MET 57 8.176 -7.376 2.875
457 3HE MET 57 3HE MET 57 6.816 -7.173 1.773
458 H ALA 58 H ALA 58 10.032 -6.787 -2.758
459 HA ALA 58 HA ALA 58 10.979 -4.179 -2.371
460 1HB ALA 58 1HB ALA 58 12.194 -5.900 -3.658
461 2HB ALA 58 2HB ALA 58 12.006 -4.410 -4.585
462 3HB ALA 58 3HB ALA 58 10.976 -5.799 -4.930
463 H THR 59 H THR 59 8.329 -5.415 -4.341
464 HA THR 59 HA THR 59 7.849 -2.958 -5.738
465 HB THR 59 HB THR 59 5.917 -5.232 -5.241
466 HG1 THR 59 HG1 THR 59 8.012 -5.793 -6.180
467 1HG2 THR 59 1HG2 THR 59 6.109 -3.040 -7.319
468 2HG2 THR 59 2HG2 THR 59 4.808 -3.300 -6.158
469 3HG2 THR 59 3HG2 THR 59 5.051 -4.439 -7.482
470 H PHE 60 H PHE 60 6.670 -4.430 -2.757
471 HA PHE 60 HA PHE 60 4.523 -2.661 -2.258
472 1HB PHE 60 1HB PHE 60 4.651 -4.687 -0.987
473 2HB PHE 60 2HB PHE 60 6.269 -4.298 -0.408
474 HD1 PHE 60 HD1 PHE 60 6.534 -3.205 1.648
475 HD2 PHE 60 HD2 PHE 60 2.764 -2.965 -0.399
476 HE1 PHE 60 HE1 PHE 60 5.552 -2.023 3.593
477 HE2 PHE 60 HE2 PHE 60 1.784 -1.782 1.546
478 HZ PHE 60 HZ PHE 60 3.179 -1.312 3.542
479 H ASP 61 H ASP 61 7.915 -2.615 -1.151
480 HA ASP 61 HA ASP 61 7.857 -0.274 0.350
481 1HB ASP 61 1HB ASP 61 10.144 -1.165 -1.420
482 2HB ASP 61 2HB ASP 61 10.241 -0.183 0.037
483 H GLU 62 H GLU 62 8.415 -0.729 -3.130
484 HA GLU 62 HA GLU 62 8.880 1.988 -3.768
485 1HB GLU 62 1HB GLU 62 9.508 0.289 -5.346
486 2HB GLU 62 2HB GLU 62 7.862 -0.337 -5.416
487 1HG GLU 62 1HG GLU 62 8.221 2.544 -6.089
488 2HG GLU 62 2HG GLU 62 8.843 1.378 -7.254
489 H ALA 63 H ALA 63 5.919 0.009 -3.800
490 HA ALA 63 HA ALA 63 4.181 1.983 -4.806
491 1HB ALA 63 1HB ALA 63 3.481 -0.207 -2.834
492 2HB ALA 63 2HB ALA 63 3.636 -0.453 -4.574
493 3HB ALA 63 3HB ALA 63 2.384 0.616 -3.944
494 H TRP 64 H TRP 64 5.042 1.100 -1.472
495 HA TRP 64 HA TRP 64 3.401 2.903 -0.116
496 1HB TRP 64 1HB TRP 64 4.957 1.046 0.823
497 2HB TRP 64 2HB TRP 64 6.202 2.296 0.816
498 HD1 TRP 64 HD1 TRP 64 5.960 4.301 2.504
499 HE1 TRP 64 HE1 TRP 64 4.467 4.683 4.570
500 HE3 TRP 64 HE3 TRP 64 2.575 0.538 1.850
501 HZ2 TRP 64 HZ2 TRP 64 2.145 3.537 5.789
502 HZ3 TRP 64 HZ3 TRP 64 0.736 0.204 3.475
503 HH2 TRP 64 HH2 TRP 64 0.516 1.696 5.443
504 H ASP 65 H ASP 65 6.704 3.339 -1.370
505 HA ASP 65 HA ASP 65 7.202 5.922 -0.480
506 1HB ASP 65 1HB ASP 65 8.869 4.494 -1.626
507 2HB ASP 65 2HB ASP 65 8.015 4.745 -3.147
508 H GLN 66 H GLN 66 5.352 4.832 -3.287
509 HA GLN 66 HA GLN 66 4.920 7.467 -4.337
510 1HB GLN 66 1HB GLN 66 3.398 4.894 -4.835
511 2HB GLN 66 2HB GLN 66 3.251 6.373 -5.783
512 1HG GLN 66 1HG GLN 66 5.968 5.158 -5.386
513 2HG GLN 66 2HG GLN 66 4.878 4.455 -6.578
514 1HE2 GLN 66 1HE2 GLN 66 5.543 5.238 -8.584
515 2HE2 GLN 66 2HE2 GLN 66 5.887 6.865 -8.921
516 H TYR 67 H TYR 67 3.046 5.220 -2.333
517 HA TYR 67 HA TYR 67 0.650 6.604 -2.139
518 1HB TYR 67 1HB TYR 67 0.937 4.372 -1.204
519 2HB TYR 67 2HB TYR 67 2.074 4.991 -0.009
520 HD1 TYR 67 HD1 TYR 67 -1.466 4.954 -1.079
521 HD2 TYR 67 HD2 TYR 67 1.317 6.253 1.925
522 HE1 TYR 67 HE1 TYR 67 -3.353 5.516 0.430
523 HE2 TYR 67 HE2 TYR 67 -0.569 6.813 3.431
524 HH TYR 67 HH TYR 67 -3.420 7.405 2.663
525 H GLU 68 H GLU 68 3.397 6.806 0.146
526 HA GLU 68 HA GLU 68 2.407 8.900 1.701
527 1HB GLU 68 1HB GLU 68 4.775 9.298 2.343
528 2HB GLU 68 2HB GLU 68 4.328 7.594 2.413
529 1HG GLU 68 1HG GLU 68 5.292 7.308 0.116
530 2HG GLU 68 2HG GLU 68 5.859 8.972 0.189
531 H SER 69 H SER 69 4.499 9.046 -1.174
532 HA SER 69 HA SER 69 4.992 11.767 -1.278
533 1HB SER 69 1HB SER 69 6.098 10.332 -2.831
534 2HB SER 69 2HB SER 69 4.570 9.761 -3.497
535 HG SER 69 HG SER 69 4.332 11.609 -4.569
536 H GLU 70 H GLU 70 2.049 10.050 -1.994
537 HA GLU 70 HA GLU 70 0.803 12.274 -3.365
538 1HB GLU 70 1HB GLU 70 -0.443 9.723 -2.321
539 2HB GLU 70 2HB GLU 70 -1.150 10.842 -3.488
540 1HG GLU 70 1HG GLU 70 1.531 9.987 -4.271
541 2HG GLU 70 2HG GLU 70 0.430 8.625 -4.096
542 H VAL 71 H VAL 71 0.164 10.572 -0.286
543 HA VAL 71 HA VAL 71 -1.640 12.686 0.560
544 HB VAL 71 HB VAL 71 -0.748 10.335 2.210
545 1HG1 VAL 71 1HG1 VAL 71 -2.134 12.003 3.340
546 2HG1 VAL 71 2HG1 VAL 71 -3.091 10.550 3.057
547 3HG1 VAL 71 3HG1 VAL 71 -3.305 11.962 2.022
548 1HG2 VAL 71 1HG2 VAL 71 -2.681 10.435 -0.114
549 2HG2 VAL 71 2HG2 VAL 71 -2.811 9.214 1.152
550 3HG2 VAL 71 3HG2 VAL 71 -1.359 9.300 0.156
551 H HIS 72 H HIS 72 1.712 12.058 0.931
552 HA HIS 72 HA HIS 72 2.008 13.241 3.540
553 1HB HIS 72 1HB HIS 72 3.642 11.615 2.568
554 2HB HIS 72 2HB HIS 72 4.128 12.855 1.411
555 HD1 HIS 72 HD1 HIS 72 3.418 13.204 5.143
556 HD2 HIS 72 HD2 HIS 72 6.542 13.751 2.436
557 HE1 HIS 72 HE1 HIS 72 5.334 14.216 6.456
558 HE2 HIS 72 HE2 HIS 72 7.247 14.555 4.819
559 H GLY 73 H GLY 73 1.000 14.601 0.767
560 1HA GLY 73 2HA GLY 73 2.630 16.988 0.720
561 2HA GLY 73 1HA GLY 73 1.154 16.707 -0.200
562 H ARG 74 H ARG 74 -0.152 15.881 2.444
563 HA ARG 74 HA ARG 74 -1.132 18.517 3.130
564 1HB ARG 74 1HB ARG 74 -1.888 15.927 4.444
565 2HB ARG 74 2HB ARG 74 -2.826 17.411 4.319
566 1HG ARG 74 1HG ARG 74 -2.482 16.942 1.698
567 2HG ARG 74 2HG ARG 74 -2.378 15.281 2.280
568 1HD ARG 74 1HD ARG 74 -4.536 15.538 3.433
569 2HD ARG 74 2HD ARG 74 -4.638 17.209 2.884
570 HE ARG 74 HE ARG 74 -4.366 15.190 0.792
571 1HH1 ARG 74 1HH2 ARG 74 -6.427 17.232 2.691
572 2HH1 ARG 74 2HH2 ARG 74 -7.745 17.170 1.569
573 1HH2 ARG 74 1HH1 ARG 74 -6.093 15.107 -0.673
574 2HH2 ARG 74 2HH1 ARG 74 -7.558 15.965 -0.331
575 H LEU 75 H LEU 75 -1.663 17.153 5.857
576 HA LEU 75 HA LEU 75 -0.858 17.370 7.995
577 1HB LEU 75 1HB LEU 75 1.614 16.688 6.429
578 2HB LEU 75 2HB LEU 75 1.781 17.192 8.107
579 HG LEU 75 HG LEU 75 1.594 14.735 7.922
580 1HD1 LEU 75 1HD1 LEU 75 -1.026 15.596 9.094
581 2HD1 LEU 75 2HD1 LEU 75 0.461 16.240 9.789
582 3HD1 LEU 75 3HD1 LEU 75 0.187 14.499 9.752
583 1HD2 LEU 75 1HD2 LEU 75 0.086 14.925 5.832
584 2HD2 LEU 75 2HD2 LEU 75 -1.245 15.146 6.969
585 3HD2 LEU 75 3HD2 LEU 75 -0.304 13.656 6.994
586 H GLU 76 H GLU 76 -1.460 19.630 6.471
587 HA GLU 76 HA GLU 76 0.558 21.619 6.642
588 1HB GLU 76 1HB GLU 76 -2.423 22.065 6.448
589 2HB GLU 76 2HB GLU 76 -1.139 23.163 5.940
590 1HG GLU 76 1HG GLU 76 -0.376 21.231 4.390
591 2HG GLU 76 2HG GLU 76 -1.971 20.545 4.692
592 H HIS 77 H HIS 77 -0.204 20.142 9.171
593 HA HIS 77 HA HIS 77 -0.463 22.530 10.868
594 1HB HIS 77 1HB HIS 77 -1.962 21.077 12.388
595 2HB HIS 77 2HB HIS 77 -2.694 21.778 10.946
596 HD1 HIS 77 HD1 HIS 77 -3.675 20.184 9.264
597 HD2 HIS 77 HD2 HIS 77 -1.227 18.238 12.019
598 HE1 HIS 77 HE1 HIS 77 -3.945 17.703 8.835
599 HE2 HIS 77 HE2 HIS 77 -2.454 16.503 10.504
600 H HIS 78 H HIS 78 1.456 20.167 9.998
601 HA HIS 78 HA HIS 78 2.141 18.836 12.425
602 1HB HIS 78 1HB HIS 78 4.219 18.210 11.190
603 2HB HIS 78 2HB HIS 78 2.742 17.846 10.300
604 HD1 HIS 78 HD1 HIS 78 2.865 21.319 9.967
605 HD2 HIS 78 HD2 HIS 78 5.163 18.270 8.294
606 HE1 HIS 78 HE1 HIS 78 3.953 22.295 7.902
607 HE2 HIS 78 HE2 HIS 78 5.354 20.448 6.867
608 H HIS 79 H HIS 79 3.995 19.141 13.736
609 HA HIS 79 HA HIS 79 5.564 21.567 13.475
610 1HB HIS 79 1HB HIS 79 4.906 22.580 15.544
611 2HB HIS 79 2HB HIS 79 3.430 22.275 14.630
612 HD1 HIS 79 HD1 HIS 79 5.457 20.850 17.501
613 HD2 HIS 79 HD2 HIS 79 1.634 20.513 15.869
614 HE1 HIS 79 HE1 HIS 79 4.107 19.451 19.124
615 HE2 HIS 79 HE2 HIS 79 1.773 19.236 18.144
616 H HIS 80 H HIS 80 7.420 21.566 14.779
617 HA HIS 80 HA HIS 80 9.196 20.634 15.885
618 1HB HIS 80 1HB HIS 80 7.514 20.565 17.745
619 2HB HIS 80 2HB HIS 80 7.124 18.914 17.268
620 HD1 HIS 80 HD1 HIS 80 8.303 17.305 18.755
621 HD2 HIS 80 HD2 HIS 80 10.662 20.651 17.965
622 HE1 HIS 80 HE1 HIS 80 10.512 16.920 19.932
623 HE2 HIS 80 HE2 HIS 80 11.959 18.952 19.464
624 H HIS 81 H HIS 81 10.449 18.614 16.169
625 HA HIS 81 HA HIS 81 10.166 16.940 13.826
626 1HB HIS 81 1HB HIS 81 12.177 17.001 16.086
627 2HB HIS 81 2HB HIS 81 12.258 15.862 14.744
628 HD1 HIS 81 HD1 HIS 81 14.574 17.131 14.184
629 HD2 HIS 81 HD2 HIS 81 11.103 19.374 13.625
630 HE1 HIS 81 HE1 HIS 81 15.223 19.108 12.740
631 HE2 HIS 81 HE2 HIS 81 13.120 20.486 12.393
632 H HIS 82 H HIS 82 7.958 16.264 14.776
633 HA HIS 82 HA HIS 82 6.618 14.623 15.641
634 1HB HIS 82 1HB HIS 82 8.149 13.239 14.203
635 2HB HIS 82 2HB HIS 82 9.131 12.931 15.635
636 HD1 HIS 82 HD1 HIS 82 5.331 13.011 15.397
637 HD2 HIS 82 HD2 HIS 82 8.400 10.325 16.256
638 HE1 HIS 82 HE1 HIS 82 4.216 10.872 16.166
639 HE2 HIS 82 HE2 HIS 82 6.074 9.224 16.691
Start of MODEL 10
1 1H MET 1 1HT MET 1 -2.596 10.286 7.236
2 2H MET 1 2HT MET 1 -4.178 9.828 6.817
3 3H MET 1 3HT MET 1 -3.192 10.624 5.685
4 HA MET 1 HA MET 1 -2.121 8.773 5.083
5 1HB MET 1 1HB MET 1 -2.293 8.073 8.022
6 2HB MET 1 2HB MET 1 -1.635 6.956 6.825
7 1HG MET 1 1HG MET 1 0.042 8.617 6.160
8 2HG MET 1 2HG MET 1 -0.634 9.778 7.301
9 1HE MET 1 1HE MET 1 1.988 9.815 7.698
10 2HE MET 1 2HE MET 1 2.488 9.182 9.265
11 3HE MET 1 3HE MET 1 1.092 10.250 9.160
12 H LYS 2 H LYS 2 -3.962 8.389 3.804
13 HA LYS 2 HA LYS 2 -6.308 7.085 4.731
14 1HB LYS 2 1HB LYS 2 -6.765 6.712 2.310
15 2HB LYS 2 2HB LYS 2 -6.350 8.384 2.681
16 1HG LYS 2 1HG LYS 2 -4.033 6.666 2.032
17 2HG LYS 2 2HG LYS 2 -5.163 6.905 0.702
18 1HD LYS 2 1HD LYS 2 -4.312 9.286 2.318
19 2HD LYS 2 2HD LYS 2 -3.204 8.635 1.111
20 1HE LYS 2 1HE LYS 2 -5.025 8.801 -0.593
21 2HE LYS 2 2HE LYS 2 -6.050 9.565 0.623
22 1HZ LYS 2 2HZ LYS 2 -4.113 11.187 0.886
23 2HZ LYS 2 2HZ LYS 2 -5.090 11.338 -0.496
24 3HZ LYS 2 3HZ LYS 2 -3.568 10.589 -0.604
25 H SER 3 H SER 3 -7.023 4.932 3.774
26 HA SER 3 HA SER 3 -5.413 2.862 4.770
27 1HB SER 3 1HB SER 3 -7.816 2.962 2.979
28 2HB SER 3 2HB SER 3 -6.978 1.433 3.226
29 HG SER 3 HG SER 3 -7.219 1.825 5.502
30 H PHE 4 H PHE 4 -3.632 1.955 3.989
31 HA PHE 4 HA PHE 4 -2.362 2.669 1.616
32 1HB PHE 4 1HB PHE 4 -1.251 1.550 3.534
33 2HB PHE 4 2HB PHE 4 -2.076 0.050 3.112
34 HD1 PHE 4 HD1 PHE 4 -1.335 -1.310 1.280
35 HD2 PHE 4 HD2 PHE 4 0.389 2.571 1.932
36 HE1 PHE 4 HE1 PHE 4 0.436 -1.818 -0.378
37 HE2 PHE 4 HE2 PHE 4 2.161 2.061 0.273
38 HZ PHE 4 HZ PHE 4 2.186 -0.133 -0.881
39 H TYR 5 H TYR 5 -4.473 -0.104 2.294
40 HA TYR 5 HA TYR 5 -4.228 -1.432 -0.159
41 1HB TYR 5 1HB TYR 5 -5.328 -2.526 1.677
42 2HB TYR 5 2HB TYR 5 -6.545 -1.254 1.778
43 HD1 TYR 5 HD1 TYR 5 -5.101 -3.548 -0.831
44 HD2 TYR 5 HD2 TYR 5 -8.619 -1.724 0.830
45 HE1 TYR 5 HE1 TYR 5 -6.507 -4.754 -2.478
46 HE2 TYR 5 HE2 TYR 5 -10.023 -2.932 -0.817
47 HH TYR 5 HH TYR 5 -9.697 -3.948 -3.111
48 H HIS 6 H HIS 6 -6.447 1.152 0.841
49 HA HIS 6 HA HIS 6 -7.942 1.245 -1.571
50 1HB HIS 6 1HB HIS 6 -7.433 3.429 0.440
51 2HB HIS 6 2HB HIS 6 -8.691 3.429 -0.793
52 HD1 HIS 6 HD1 HIS 6 -7.981 0.199 0.924
53 HD2 HIS 6 HD2 HIS 6 -10.679 3.352 1.318
54 HE1 HIS 6 HE1 HIS 6 -9.803 -0.609 2.484
55 HE2 HIS 6 HE2 HIS 6 -11.454 1.301 2.735
56 H TYR 7 H TYR 7 -5.242 3.244 -0.360
57 HA TYR 7 HA TYR 7 -5.004 4.953 -2.562
58 1HB TYR 7 1HB TYR 7 -3.710 5.463 -0.622
59 2HB TYR 7 2HB TYR 7 -2.964 3.867 -0.608
60 HD1 TYR 7 HD1 TYR 7 -2.957 7.199 -2.157
61 HD2 TYR 7 HD2 TYR 7 -1.202 3.277 -2.227
62 HE1 TYR 7 HE1 TYR 7 -1.100 8.053 -3.560
63 HE2 TYR 7 HE2 TYR 7 0.652 4.132 -3.630
64 HH TYR 7 HH TYR 7 1.175 5.930 -5.086
65 H LEU 8 H LEU 8 -3.341 1.907 -1.854
66 HA LEU 8 HA LEU 8 -2.004 1.595 -4.293
67 1HB LEU 8 1HB LEU 8 -1.803 0.237 -2.092
68 2HB LEU 8 2HB LEU 8 -3.135 -0.722 -2.735
69 HG LEU 8 HG LEU 8 -1.647 -0.825 -4.901
70 1HD1 LEU 8 1HD1 LEU 8 0.779 -0.828 -4.335
71 2HD1 LEU 8 2HD1 LEU 8 0.382 -0.225 -2.726
72 3HD1 LEU 8 3HD1 LEU 8 0.053 0.768 -4.146
73 1HD2 LEU 8 1HD2 LEU 8 -1.249 -2.353 -2.326
74 2HD2 LEU 8 2HD2 LEU 8 -0.374 -2.791 -3.795
75 3HD2 LEU 8 3HD2 LEU 8 -2.137 -2.846 -3.768
76 H LEU 9 H LEU 9 -5.364 1.084 -3.375
77 HA LEU 9 HA LEU 9 -6.122 -0.624 -5.499
78 1HB LEU 9 1HB LEU 9 -7.412 0.511 -3.350
79 2HB LEU 9 2HB LEU 9 -8.161 1.334 -4.716
80 HG LEU 9 HG LEU 9 -7.853 -1.676 -4.490
81 1HD1 LEU 9 1HD1 LEU 9 -10.194 0.157 -3.908
82 2HD1 LEU 9 2HD1 LEU 9 -9.411 -0.966 -2.796
83 3HD1 LEU 9 3HD1 LEU 9 -10.362 -1.583 -4.148
84 1HD2 LEU 9 1HD2 LEU 9 -9.724 -1.433 -6.312
85 2HD2 LEU 9 2HD2 LEU 9 -8.042 -1.191 -6.781
86 3HD2 LEU 9 3HD2 LEU 9 -9.087 0.202 -6.500
87 H LYS 10 H LYS 10 -5.646 2.845 -5.350
88 HA LYS 10 HA LYS 10 -6.902 3.399 -7.878
89 1HB LYS 10 1HB LYS 10 -6.742 5.124 -6.148
90 2HB LYS 10 2HB LYS 10 -4.982 5.050 -6.216
91 1HG LYS 10 1HG LYS 10 -4.909 5.969 -8.396
92 2HG LYS 10 2HG LYS 10 -6.618 5.640 -8.684
93 1HD LYS 10 1HD LYS 10 -7.304 7.372 -7.190
94 2HD LYS 10 2HD LYS 10 -5.679 7.542 -6.526
95 1HE LYS 10 1HE LYS 10 -6.031 9.374 -8.058
96 2HE LYS 10 2HE LYS 10 -4.904 8.252 -8.822
97 1HZ LYS 10 2HZ LYS 10 -7.773 8.656 -9.396
98 2HZ LYS 10 2HZ LYS 10 -6.979 7.224 -9.851
99 3HZ LYS 10 3HZ LYS 10 -6.460 8.721 -10.467
100 H TYR 11 H TYR 11 -3.860 2.149 -6.936
101 HA TYR 11 HA TYR 11 -2.524 3.018 -9.380
102 1HB TYR 11 1HB TYR 11 -1.624 1.742 -6.824
103 2HB TYR 11 2HB TYR 11 -0.629 1.581 -8.266
104 HD1 TYR 11 HD1 TYR 11 0.956 3.231 -8.682
105 HD2 TYR 11 HD2 TYR 11 -2.577 4.234 -6.450
106 HE1 TYR 11 HE1 TYR 11 1.801 5.541 -8.380
107 HE2 TYR 11 HE2 TYR 11 -1.729 6.543 -6.148
108 HH TYR 11 HH TYR 11 1.175 7.660 -7.795
109 H ARG 12 H ARG 12 -4.762 1.217 -9.677
110 HA ARG 12 HA ARG 12 -4.051 -1.474 -9.975
111 1HB ARG 12 1HB ARG 12 -5.772 -0.224 -12.090
112 2HB ARG 12 2HB ARG 12 -5.964 -1.753 -11.244
113 1HG ARG 12 1HG ARG 12 -6.481 -0.459 -9.149
114 2HG ARG 12 2HG ARG 12 -6.493 1.010 -10.124
115 1HD ARG 12 1HD ARG 12 -8.285 -1.405 -10.514
116 2HD ARG 12 2HD ARG 12 -8.774 0.152 -9.853
117 HE ARG 12 HE ARG 12 -7.602 0.270 -12.511
118 1HH1 ARG 12 1HH2 ARG 12 -10.470 -0.055 -10.586
119 2HH1 ARG 12 2HH2 ARG 12 -11.532 0.501 -11.835
120 1HH2 ARG 12 1HH1 ARG 12 -8.997 0.995 -14.144
121 2HH2 ARG 12 2HH1 ARG 12 -10.699 1.094 -13.845
122 H HIS 13 H HIS 13 -3.762 -2.583 -12.144
123 HA HIS 13 HA HIS 13 -2.509 -1.107 -14.254
124 1HB HIS 13 1HB HIS 13 -0.771 -1.406 -12.284
125 2HB HIS 13 2HB HIS 13 -0.624 -3.030 -12.954
126 HD1 HIS 13 HD1 HIS 13 0.286 0.499 -13.581
127 HD2 HIS 13 HD2 HIS 13 0.254 -3.066 -15.742
128 HE1 HIS 13 HE1 HIS 13 1.690 0.902 -15.649
129 HE2 HIS 13 HE2 HIS 13 1.680 -1.262 -16.977
130 HA PRO 14 HA PRO 14 -4.682 -5.306 -14.959
131 1HB PRO 14 1HB PRO 14 -5.454 -3.504 -17.237
132 2HB PRO 14 2HB PRO 14 -6.420 -4.738 -16.406
133 1HG PRO 14 1HG PRO 14 -6.744 -2.144 -15.908
134 2HG PRO 14 2HG PRO 14 -6.898 -3.369 -14.635
135 1HD PRO 14 1HD PRO 14 -4.748 -1.372 -15.054
136 2HD PRO 14 2HD PRO 14 -5.234 -2.216 -13.566
137 H LYS 15 H LYS 15 -3.688 -6.849 -16.224
138 HA LYS 15 HA LYS 15 -2.173 -7.812 -17.668
139 1HB LYS 15 1HB LYS 15 -2.207 -5.134 -19.104
140 2HB LYS 15 2HB LYS 15 -1.586 -6.654 -19.742
141 1HG LYS 15 1HG LYS 15 -4.428 -6.534 -18.775
142 2HG LYS 15 2HG LYS 15 -4.028 -5.867 -20.358
143 1HD LYS 15 1HD LYS 15 -2.933 -8.056 -20.934
144 2HD LYS 15 2HD LYS 15 -3.532 -8.703 -19.407
145 1HE LYS 15 1HE LYS 15 -5.487 -7.367 -21.240
146 2HE LYS 15 2HE LYS 15 -4.932 -8.990 -21.649
147 1HZ LYS 15 2HZ LYS 15 -5.858 -9.883 -19.775
148 2HZ LYS 15 2HZ LYS 15 -6.980 -8.651 -20.106
149 3HZ LYS 15 3HZ LYS 15 -5.802 -8.431 -18.902
150 HA PRO 16 HA PRO 16 0.626 -5.280 -14.697
151 1HB PRO 16 1HB PRO 16 1.509 -8.097 -14.347
152 2HB PRO 16 2HB PRO 16 1.215 -6.844 -13.132
153 1HG PRO 16 1HG PRO 16 -0.506 -8.909 -13.767
154 2HG PRO 16 2HG PRO 16 -0.937 -7.430 -12.901
155 1HD PRO 16 1HD PRO 16 -1.798 -8.249 -15.518
156 2HD PRO 16 2HD PRO 16 -2.217 -6.760 -14.650
157 H LYS 17 H LYS 17 2.805 -4.826 -14.873
158 HA LYS 17 HA LYS 17 4.484 -6.292 -16.737
159 1HB LYS 17 1HB LYS 17 4.972 -4.431 -18.182
160 2HB LYS 17 2HB LYS 17 3.223 -4.641 -18.154
161 1HG LYS 17 1HG LYS 17 3.155 -2.874 -16.322
162 2HG LYS 17 2HG LYS 17 4.854 -2.558 -16.676
163 1HD LYS 17 1HD LYS 17 2.542 -2.318 -18.626
164 2HD LYS 17 2HD LYS 17 3.465 -0.988 -17.927
165 1HE LYS 17 1HE LYS 17 5.535 -2.207 -18.962
166 2HE LYS 17 2HE LYS 17 4.337 -3.018 -19.970
167 1HZ LYS 17 2HZ LYS 17 5.414 -0.510 -20.357
168 2HZ LYS 17 2HZ LYS 17 3.818 -0.235 -19.842
169 3HZ LYS 17 3HZ LYS 17 4.119 -1.208 -21.202
170 H ASP 18 H ASP 18 4.158 -3.350 -14.750
171 HA ASP 18 HA ASP 18 7.004 -3.309 -14.156
172 1HB ASP 18 1HB ASP 18 5.737 -1.205 -14.444
173 2HB ASP 18 2HB ASP 18 4.749 -1.621 -13.045
174 H SER 19 H SER 19 7.835 -3.400 -11.964
175 HA SER 19 HA SER 19 7.021 -5.653 -10.519
176 1HB SER 19 1HB SER 19 8.772 -3.300 -9.867
177 2HB SER 19 2HB SER 19 8.415 -4.515 -8.646
178 HG SER 19 HG SER 19 9.051 -5.662 -11.009
179 H ILE 20 H ILE 20 6.396 -2.204 -9.914
180 HA ILE 20 HA ILE 20 4.901 -2.593 -7.532
181 HB ILE 20 HB ILE 20 5.886 -0.403 -8.914
182 1HG1 ILE 20 1HG1 ILE 20 3.821 -0.356 -6.691
183 2HG1 ILE 20 2HG1 ILE 20 5.527 -0.733 -6.446
184 1HG2 ILE 20 1HG2 ILE 20 3.964 1.047 -9.358
185 2HG2 ILE 20 2HG2 ILE 20 2.853 -0.245 -8.907
186 3HG2 ILE 20 3HG2 ILE 20 3.850 -0.403 -10.353
187 1HD1 ILE 20 1HD1 ILE 20 5.240 1.611 -5.966
188 2HD1 ILE 20 2HD1 ILE 20 4.356 1.866 -7.470
189 3HD1 ILE 20 3HD1 ILE 20 6.079 1.494 -7.513
190 H SER 21 H SER 21 4.090 -2.552 -10.938
191 HA SER 21 HA SER 21 1.286 -2.407 -10.733
192 1HB SER 21 1HB SER 21 1.945 -2.118 -12.910
193 2HB SER 21 2HB SER 21 3.251 -3.286 -12.786
194 HG SER 21 HG SER 21 1.838 -4.914 -13.078
195 H GLU 22 H GLU 22 3.488 -5.202 -10.843
196 HA GLU 22 HA GLU 22 1.524 -7.223 -10.754
197 1HB GLU 22 1HB GLU 22 4.275 -7.393 -9.505
198 2HB GLU 22 2HB GLU 22 3.293 -8.717 -10.127
199 1HG GLU 22 1HG GLU 22 3.430 -7.121 -12.334
200 2HG GLU 22 2HG GLU 22 4.988 -6.777 -11.584
201 H PHE 23 H PHE 23 3.258 -5.497 -8.196
202 HA PHE 23 HA PHE 23 2.204 -6.911 -5.993
203 1HB PHE 23 1HB PHE 23 4.168 -5.347 -5.931
204 2HB PHE 23 2HB PHE 23 3.039 -4.000 -6.068
205 HD1 PHE 23 HD1 PHE 23 3.453 -7.144 -4.041
206 HD2 PHE 23 HD2 PHE 23 2.342 -2.992 -4.091
207 HE1 PHE 23 HE1 PHE 23 3.065 -7.217 -1.593
208 HE2 PHE 23 HE2 PHE 23 1.954 -3.067 -1.643
209 HZ PHE 23 HZ PHE 23 2.317 -5.180 -0.394
210 H ALA 24 H ALA 24 1.197 -3.829 -7.476
211 HA ALA 24 HA ALA 24 -1.002 -3.269 -5.865
212 1HB ALA 24 1HB ALA 24 0.015 -1.792 -7.648
213 2HB ALA 24 2HB ALA 24 -1.747 -1.824 -7.626
214 3HB ALA 24 3HB ALA 24 -0.865 -2.749 -8.840
215 H ASN 25 H ASN 25 -0.909 -5.093 -8.924
216 HA ASN 25 HA ASN 25 -3.642 -5.746 -9.033
217 1HB ASN 25 1HB ASN 25 -1.158 -6.954 -10.216
218 2HB ASN 25 2HB ASN 25 -2.720 -7.743 -10.428
219 1HD2 ASN 25 1HD2 ASN 25 -0.686 -5.594 -11.947
220 2HD2 ASN 25 2HD2 ASN 25 -1.831 -4.703 -12.826
221 H GLN 26 H GLN 26 -0.933 -7.292 -7.392
222 HA GLN 26 HA GLN 26 -2.189 -9.727 -6.722
223 1HB GLN 26 1HB GLN 26 0.257 -9.279 -6.523
224 2HB GLN 26 2HB GLN 26 -0.077 -8.243 -5.137
225 1HG GLN 26 1HG GLN 26 0.512 -10.400 -4.262
226 2HG GLN 26 2HG GLN 26 -1.230 -10.228 -4.057
227 1HE2 GLN 26 1HE2 GLN 26 1.265 -11.806 -6.065
228 2HE2 GLN 26 2HE2 GLN 26 0.231 -12.995 -6.697
229 H ALA 27 H ALA 27 -1.900 -6.678 -4.905
230 HA ALA 27 HA ALA 27 -3.253 -7.454 -2.588
231 1HB ALA 27 1HB ALA 27 -3.448 -4.691 -3.774
232 2HB ALA 27 2HB ALA 27 -1.957 -5.293 -3.048
233 3HB ALA 27 3HB ALA 27 -3.420 -5.155 -2.072
234 H TYR 28 H TYR 28 -4.479 -6.671 -5.747
235 HA TYR 28 HA TYR 28 -7.123 -5.970 -5.103
236 1HB TYR 28 1HB TYR 28 -5.921 -5.856 -7.374
237 2HB TYR 28 2HB TYR 28 -6.364 -7.553 -7.555
238 HD1 TYR 28 HD1 TYR 28 -7.535 -4.116 -7.666
239 HD2 TYR 28 HD2 TYR 28 -8.800 -8.219 -7.461
240 HE1 TYR 28 HE1 TYR 28 -9.811 -3.451 -8.386
241 HE2 TYR 28 HE2 TYR 28 -11.076 -7.551 -8.180
242 HH TYR 28 HH TYR 28 -12.492 -5.583 -8.208
243 H GLU 29 H GLU 29 -5.723 -9.166 -5.859
244 HA GLU 29 HA GLU 29 -8.238 -10.481 -5.194
245 1HB GLU 29 1HB GLU 29 -6.950 -12.545 -5.838
246 2HB GLU 29 2HB GLU 29 -7.105 -11.345 -7.117
247 1HG GLU 29 1HG GLU 29 -4.868 -10.639 -6.893
248 2HG GLU 29 2HG GLU 29 -4.710 -11.348 -5.286
249 H ASP 30 H ASP 30 -5.918 -9.226 -3.320
250 HA ASP 30 HA ASP 30 -5.325 -11.471 -1.606
251 1HB ASP 30 1HB ASP 30 -4.834 -8.507 -1.442
252 2HB ASP 30 2HB ASP 30 -4.533 -9.551 -0.057
253 H HIS 31 H HIS 31 -5.790 -11.278 0.776
254 HA HIS 31 HA HIS 31 -8.100 -9.915 1.733
255 1HB HIS 31 1HB HIS 31 -8.438 -12.680 0.635
256 2HB HIS 31 2HB HIS 31 -9.287 -12.276 2.125
257 HD1 HIS 31 HD1 HIS 31 -10.219 -9.468 1.697
258 HD2 HIS 31 HD2 HIS 31 -10.286 -12.288 -1.374
259 HE1 HIS 31 HE1 HIS 31 -11.923 -8.652 0.011
260 HE2 HIS 31 HE2 HIS 31 -11.976 -10.360 -1.867
261 H SER 32 H SER 32 -5.351 -10.517 2.396
262 HA SER 32 HA SER 32 -5.739 -11.455 5.134
263 1HB SER 32 1HB SER 32 -5.006 -13.448 3.795
264 2HB SER 32 2HB SER 32 -3.549 -12.564 3.352
265 HG SER 32 HG SER 32 -3.703 -14.036 5.373
266 H PHE 33 H PHE 33 -5.576 -9.023 5.014
267 HA PHE 33 HA PHE 33 -3.110 -8.132 6.045
268 1HB PHE 33 1HB PHE 33 -2.211 -8.259 3.854
269 2HB PHE 33 2HB PHE 33 -3.668 -7.605 3.125
270 HD1 PHE 33 HD1 PHE 33 -4.255 -5.191 3.440
271 HD2 PHE 33 HD2 PHE 33 -0.498 -6.820 4.739
272 HE1 PHE 33 HE1 PHE 33 -3.313 -2.903 3.587
273 HE2 PHE 33 HE2 PHE 33 0.439 -4.532 4.887
274 HZ PHE 33 HZ PHE 33 -0.967 -2.574 4.311
275 HA PRO 34 HA PRO 34 -5.814 -5.085 7.758
276 1HB PRO 34 1HB PRO 34 -3.970 -2.914 7.496
277 2HB PRO 34 2HB PRO 34 -4.275 -3.911 8.926
278 1HG PRO 34 1HG PRO 34 -2.117 -4.092 6.933
279 2HG PRO 34 2HG PRO 34 -2.140 -4.596 8.628
280 1HD PRO 34 1HD PRO 34 -2.205 -6.396 6.611
281 2HD PRO 34 2HD PRO 34 -3.065 -6.676 8.139
282 H LYS 35 H LYS 35 -7.219 -5.184 5.879
283 HA LYS 35 HA LYS 35 -6.919 -3.671 3.536
284 1HB LYS 35 1HB LYS 35 -9.329 -4.706 5.024
285 2HB LYS 35 2HB LYS 35 -9.495 -3.776 3.535
286 1HG LYS 35 1HG LYS 35 -7.643 -6.151 3.656
287 2HG LYS 35 2HG LYS 35 -9.367 -6.370 3.361
288 1HD LYS 35 1HD LYS 35 -9.181 -4.714 1.472
289 2HD LYS 35 2HD LYS 35 -7.433 -4.726 1.707
290 1HE LYS 35 1HE LYS 35 -7.683 -6.353 0.055
291 2HE LYS 35 2HE LYS 35 -7.714 -7.338 1.518
292 1HZ LYS 35 2HZ LYS 35 -10.168 -7.142 1.470
293 2HZ LYS 35 2HZ LYS 35 -9.527 -7.979 0.138
294 3HZ LYS 35 3HZ LYS 35 -10.049 -6.372 -0.036
295 H THR 36 H THR 36 -7.814 -2.760 6.761
296 HA THR 36 HA THR 36 -8.142 0.028 5.856
297 HB THR 36 HB THR 36 -10.374 -0.689 6.319
298 HG1 THR 36 HG1 THR 36 -10.418 0.364 8.666
299 1HG2 THR 36 1HG2 THR 36 -9.320 -1.789 8.942
300 2HG2 THR 36 2HG2 THR 36 -9.802 -2.756 7.548
301 3HG2 THR 36 3HG2 THR 36 -11.003 -1.803 8.418
302 H SER 37 H SER 37 -5.771 -0.222 6.463
303 HA SER 37 HA SER 37 -5.250 1.174 8.843
304 1HB SER 37 1HB SER 37 -5.761 -1.408 9.513
305 2HB SER 37 2HB SER 37 -4.035 -1.511 9.181
306 HG SER 37 HG SER 37 -4.919 -0.805 11.389
307 H THR 38 H THR 38 -3.143 1.927 8.859
308 HA THR 38 HA THR 38 -1.241 0.729 6.978
309 HB THR 38 HB THR 38 -2.107 2.393 5.561
310 HG1 THR 38 HG1 THR 38 -0.465 4.138 5.788
311 1HG2 THR 38 1HG2 THR 38 -2.448 4.768 6.400
312 2HG2 THR 38 2HG2 THR 38 -2.227 4.139 8.031
313 3HG2 THR 38 3HG2 THR 38 -3.573 3.574 7.045
314 H ASP 39 H ASP 39 0.350 0.195 8.281
315 HA ASP 39 HA ASP 39 1.601 2.275 9.918
316 1HB ASP 39 1HB ASP 39 0.071 1.057 11.429
317 2HB ASP 39 2HB ASP 39 0.847 -0.458 10.984
318 H TYR 40 H TYR 40 3.576 2.362 9.095
319 HA TYR 40 HA TYR 40 4.831 0.582 7.439
320 1HB TYR 40 1HB TYR 40 5.615 2.880 7.873
321 2HB TYR 40 2HB TYR 40 6.197 2.373 9.459
322 HD1 TYR 40 HD1 TYR 40 6.565 1.736 5.800
323 HD2 TYR 40 HD2 TYR 40 8.300 1.299 9.706
324 HE1 TYR 40 HE1 TYR 40 8.676 0.942 4.772
325 HE2 TYR 40 HE2 TYR 40 10.412 0.506 8.678
326 HH TYR 40 HH TYR 40 10.674 -0.599 5.639
327 H HIS 41 H HIS 41 5.375 0.773 10.976
328 HA HIS 41 HA HIS 41 7.157 -1.409 11.102
329 1HB HIS 41 1HB HIS 41 6.812 0.336 12.872
330 2HB HIS 41 2HB HIS 41 5.301 -0.464 13.293
331 HD1 HIS 41 HD1 HIS 41 7.138 -3.262 12.449
332 HD2 HIS 41 HD2 HIS 41 7.487 -0.609 15.645
333 HE1 HIS 41 HE1 HIS 41 8.395 -4.494 14.268
334 HE2 HIS 41 HE2 HIS 41 8.617 -2.890 16.222
335 H GLU 42 H GLU 42 3.665 -1.301 11.863
336 HA GLU 42 HA GLU 42 3.384 -4.026 12.475
337 1HB GLU 42 1HB GLU 42 1.742 -1.934 12.690
338 2HB GLU 42 2HB GLU 42 1.108 -2.602 11.186
339 1HG GLU 42 1HG GLU 42 1.149 -4.878 12.467
340 2HG GLU 42 2HG GLU 42 1.228 -3.871 13.912
341 H ILE 43 H ILE 43 2.722 -2.316 9.421
342 HA ILE 43 HA ILE 43 1.992 -4.639 7.972
343 HB ILE 43 HB ILE 43 2.842 -1.864 7.164
344 1HG1 ILE 43 1HG1 ILE 43 0.237 -3.396 6.865
345 2HG1 ILE 43 2HG1 ILE 43 0.590 -2.293 8.192
346 1HG2 ILE 43 1HG2 ILE 43 3.605 -3.056 5.293
347 2HG2 ILE 43 2HG2 ILE 43 1.938 -2.690 4.852
348 3HG2 ILE 43 3HG2 ILE 43 2.359 -4.293 5.452
349 1HD1 ILE 43 1HD1 ILE 43 0.844 -0.432 6.624
350 2HD1 ILE 43 2HD1 ILE 43 -0.724 -1.200 6.384
351 3HD1 ILE 43 3HD1 ILE 43 0.595 -1.519 5.258
352 H SER 44 H SER 44 5.081 -2.937 8.375
353 HA SER 44 HA SER 44 6.627 -4.204 6.460
354 1HB SER 44 1HB SER 44 7.624 -2.448 7.723
355 2HB SER 44 2HB SER 44 7.327 -3.277 9.249
356 HG SER 44 HG SER 44 9.433 -3.457 7.622
357 H SER 45 H SER 45 5.984 -5.302 9.792
358 HA SER 45 HA SER 45 7.454 -7.706 9.616
359 1HB SER 45 1HB SER 45 6.481 -6.496 11.699
360 2HB SER 45 2HB SER 45 5.010 -7.395 11.343
361 HG SER 45 HG SER 45 6.840 -9.173 11.147
362 H TYR 46 H TYR 46 4.042 -6.942 9.021
363 HA TYR 46 HA TYR 46 3.116 -9.554 8.581
364 1HB TYR 46 1HB TYR 46 1.838 -7.268 8.765
365 2HB TYR 46 2HB TYR 46 2.024 -7.243 7.012
366 HD1 TYR 46 HD1 TYR 46 0.300 -8.760 9.835
367 HD2 TYR 46 HD2 TYR 46 1.125 -9.146 5.635
368 HE1 TYR 46 HE1 TYR 46 -1.584 -10.358 9.611
369 HE2 TYR 46 HE2 TYR 46 -0.756 -10.744 5.414
370 HH TYR 46 HH TYR 46 -2.044 -12.396 7.702
371 H LEU 47 H LEU 47 4.342 -7.141 6.257
372 HA LEU 47 HA LEU 47 4.060 -8.762 3.955
373 1HB LEU 47 1HB LEU 47 5.914 -6.447 4.555
374 2HB LEU 47 2HB LEU 47 5.751 -7.186 2.961
375 HG LEU 47 HG LEU 47 3.392 -6.093 4.516
376 1HD1 LEU 47 1HD1 LEU 47 5.032 -4.746 2.349
377 2HD1 LEU 47 2HD1 LEU 47 5.007 -4.280 4.050
378 3HD1 LEU 47 3HD1 LEU 47 3.554 -4.106 3.067
379 1HD2 LEU 47 1HD2 LEU 47 2.575 -5.982 2.024
380 2HD2 LEU 47 2HD2 LEU 47 2.570 -7.535 2.857
381 3HD2 LEU 47 3HD2 LEU 47 3.870 -7.144 1.732
382 H GLU 48 H GLU 48 6.768 -8.241 6.187
383 HA GLU 48 HA GLU 48 8.660 -9.843 4.821
384 1HB GLU 48 1HB GLU 48 8.380 -8.826 7.629
385 2HB GLU 48 2HB GLU 48 9.619 -10.026 7.260
386 1HG GLU 48 1HG GLU 48 10.502 -8.564 5.475
387 2HG GLU 48 2HG GLU 48 9.272 -7.360 5.856
388 H LEU 49 H LEU 49 6.365 -10.562 7.435
389 HA LEU 49 HA LEU 49 7.138 -13.267 7.793
390 1HB LEU 49 1HB LEU 49 4.575 -11.785 8.414
391 2HB LEU 49 2HB LEU 49 4.853 -13.466 8.868
392 HG LEU 49 HG LEU 49 6.907 -11.396 9.597
393 1HD1 LEU 49 1HD1 LEU 49 4.946 -10.336 10.456
394 2HD1 LEU 49 2HD1 LEU 49 5.647 -11.203 11.819
395 3HD1 LEU 49 3HD1 LEU 49 4.252 -11.871 10.972
396 1HD2 LEU 49 1HD2 LEU 49 7.423 -13.755 9.972
397 2HD2 LEU 49 2HD2 LEU 49 5.911 -13.974 10.854
398 3HD2 LEU 49 3HD2 LEU 49 7.186 -12.957 11.527
399 H ASN 50 H ASN 50 4.806 -11.676 5.673
400 HA ASN 50 HA ASN 50 3.554 -14.048 4.715
401 1HB ASN 50 1HB ASN 50 3.693 -11.198 3.808
402 2HB ASN 50 2HB ASN 50 3.066 -12.419 2.701
403 1HD2 ASN 50 1HD2 ASN 50 2.703 -12.311 6.276
404 2HD2 ASN 50 2HD2 ASN 50 1.008 -12.219 6.249
405 H ALA 51 H ALA 51 4.642 -15.620 3.735
406 HA ALA 51 HA ALA 51 7.133 -15.298 2.421
407 1HB ALA 51 1HB ALA 51 6.293 -17.428 3.436
408 2HB ALA 51 2HB ALA 51 6.896 -17.617 1.790
409 3HB ALA 51 3HB ALA 51 5.159 -17.567 2.091
410 H ASP 52 H ASP 52 3.848 -14.992 1.362
411 HA ASP 52 HA ASP 52 4.193 -15.431 -1.409
412 1HB ASP 52 1HB ASP 52 2.190 -13.760 0.123
413 2HB ASP 52 2HB ASP 52 2.092 -14.063 -1.612
414 H TYR 53 H TYR 53 4.246 -12.433 0.521
415 HA TYR 53 HA TYR 53 5.141 -10.925 -1.825
416 1HB TYR 53 1HB TYR 53 4.780 -9.719 0.897
417 2HB TYR 53 2HB TYR 53 4.528 -8.991 -0.690
418 HD1 TYR 53 HD1 TYR 53 2.735 -9.728 2.036
419 HD2 TYR 53 HD2 TYR 53 2.832 -10.866 -2.108
420 HE1 TYR 53 HE1 TYR 53 0.333 -10.333 2.143
421 HE2 TYR 53 HE2 TYR 53 0.429 -11.470 -1.997
422 HH TYR 53 HH TYR 53 -1.603 -10.494 0.385
423 H LEU 54 H LEU 54 6.542 -12.670 0.657
424 HA LEU 54 HA LEU 54 8.683 -11.148 1.561
425 1HB LEU 54 1HB LEU 54 8.135 -13.392 2.415
426 2HB LEU 54 2HB LEU 54 8.666 -14.102 0.893
427 HG LEU 54 HG LEU 54 10.942 -13.256 1.265
428 1HD1 LEU 54 1HD1 LEU 54 9.600 -11.908 3.587
429 2HD1 LEU 54 2HD1 LEU 54 10.795 -11.265 2.462
430 3HD1 LEU 54 3HD1 LEU 54 11.293 -12.378 3.735
431 1HD2 LEU 54 1HD2 LEU 54 11.486 -14.617 3.291
432 2HD2 LEU 54 2HD2 LEU 54 10.406 -15.457 2.178
433 3HD2 LEU 54 3HD2 LEU 54 9.761 -14.723 3.646
434 H HIS 55 H HIS 55 8.206 -12.696 -1.547
435 HA HIS 55 HA HIS 55 10.954 -12.331 -2.391
436 1HB HIS 55 1HB HIS 55 9.458 -14.229 -3.141
437 2HB HIS 55 2HB HIS 55 8.576 -13.049 -4.110
438 HD1 HIS 55 HD1 HIS 55 9.379 -14.140 -6.338
439 HD2 HIS 55 HD2 HIS 55 12.484 -12.739 -3.934
440 HE1 HIS 55 HE1 HIS 55 11.456 -14.133 -7.784
441 HE2 HIS 55 HE2 HIS 55 13.358 -13.282 -6.334
442 H THR 56 H THR 56 8.774 -10.058 -1.816
443 HA THR 56 HA THR 56 9.804 -8.345 -3.957
444 HB THR 56 HB THR 56 7.662 -9.226 -4.818
445 HG1 THR 56 HG1 THR 56 8.452 -6.805 -4.743
446 1HG2 THR 56 1HG2 THR 56 6.362 -9.705 -2.915
447 2HG2 THR 56 2HG2 THR 56 5.583 -8.280 -3.598
448 3HG2 THR 56 3HG2 THR 56 6.649 -8.117 -2.204
449 H MET 57 H MET 57 10.322 -8.520 -1.114
450 HA MET 57 HA MET 57 8.937 -6.547 0.360
451 1HB MET 57 1HB MET 57 11.731 -7.677 0.589
452 2HB MET 57 2HB MET 57 11.093 -6.489 1.725
453 1HG MET 57 1HG MET 57 9.992 -9.255 1.157
454 2HG MET 57 2HG MET 57 10.699 -8.680 2.665
455 1HE MET 57 1HE MET 57 9.152 -5.554 2.738
456 2HE MET 57 2HE MET 57 10.001 -6.672 3.803
457 3HE MET 57 3HE MET 57 8.326 -6.243 4.142
458 H ALA 58 H ALA 58 11.655 -6.396 -1.864
459 HA ALA 58 HA ALA 58 12.532 -3.775 -1.354
460 1HB ALA 58 1HB ALA 58 12.626 -5.537 -3.797
461 2HB ALA 58 2HB ALA 58 13.939 -5.100 -2.703
462 3HB ALA 58 3HB ALA 58 13.283 -3.900 -3.815
463 H THR 59 H THR 59 9.799 -4.989 -3.186
464 HA THR 59 HA THR 59 9.267 -2.553 -4.595
465 HB THR 59 HB THR 59 7.407 -4.857 -3.959
466 HG1 THR 59 HG1 THR 59 8.509 -4.486 -6.466
467 1HG2 THR 59 1HG2 THR 59 6.093 -2.980 -4.635
468 2HG2 THR 59 2HG2 THR 59 6.280 -3.980 -6.076
469 3HG2 THR 59 3HG2 THR 59 7.258 -2.525 -5.880
470 H PHE 60 H PHE 60 8.123 -3.972 -1.552
471 HA PHE 60 HA PHE 60 6.082 -2.110 -1.003
472 1HB PHE 60 1HB PHE 60 6.207 -4.124 0.301
473 2HB PHE 60 2HB PHE 60 7.842 -3.742 0.840
474 HD1 PHE 60 HD1 PHE 60 4.390 -2.260 0.822
475 HD2 PHE 60 HD2 PHE 60 8.125 -2.683 2.906
476 HE1 PHE 60 HE1 PHE 60 3.464 -0.993 2.743
477 HE2 PHE 60 HE2 PHE 60 7.197 -1.418 4.825
478 HZ PHE 60 HZ PHE 60 4.866 -0.572 4.744
479 H ASP 61 H ASP 61 9.500 -2.161 0.017
480 HA ASP 61 HA ASP 61 9.557 0.216 1.470
481 1HB ASP 61 1HB ASP 61 11.409 -1.564 1.091
482 2HB ASP 61 2HB ASP 61 11.832 -0.603 -0.324
483 H GLU 62 H GLU 62 10.112 -0.316 -1.994
484 HA GLU 62 HA GLU 62 10.564 2.403 -2.664
485 1HB GLU 62 1HB GLU 62 11.282 0.562 -4.109
486 2HB GLU 62 2HB GLU 62 9.604 0.091 -4.372
487 1HG GLU 62 1HG GLU 62 10.464 2.904 -4.991
488 2HG GLU 62 2HG GLU 62 10.833 1.617 -6.135
489 H ALA 63 H ALA 63 7.660 0.352 -2.730
490 HA ALA 63 HA ALA 63 5.908 2.241 -3.876
491 1HB ALA 63 1HB ALA 63 4.127 0.839 -3.089
492 2HB ALA 63 2HB ALA 63 5.155 0.133 -1.842
493 3HB ALA 63 3HB ALA 63 5.456 -0.227 -3.542
494 H TRP 64 H TRP 64 6.642 1.481 -0.477
495 HA TRP 64 HA TRP 64 4.899 3.272 0.763
496 1HB TRP 64 1HB TRP 64 6.374 1.513 1.871
497 2HB TRP 64 2HB TRP 64 7.695 2.675 1.748
498 HD1 TRP 64 HD1 TRP 64 7.646 4.778 3.312
499 HE1 TRP 64 HE1 TRP 64 6.219 5.417 5.357
500 HE3 TRP 64 HE3 TRP 64 3.943 1.284 2.928
501 HZ2 TRP 64 HZ2 TRP 64 3.826 4.556 6.665
502 HZ3 TRP 64 HZ3 TRP 64 2.104 1.214 4.588
503 HH2 TRP 64 HH2 TRP 64 2.042 2.845 6.455
504 H ASP 65 H ASP 65 8.217 3.764 -0.408
505 HA ASP 65 HA ASP 65 8.641 6.379 0.424
506 1HB ASP 65 1HB ASP 65 10.216 4.743 -0.832
507 2HB ASP 65 2HB ASP 65 9.517 5.433 -2.296
508 H GLN 66 H GLN 66 6.969 5.178 -2.461
509 HA GLN 66 HA GLN 66 6.430 7.766 -3.555
510 1HB GLN 66 1HB GLN 66 5.020 5.134 -4.068
511 2HB GLN 66 2HB GLN 66 4.915 6.581 -5.068
512 1HG GLN 66 1HG GLN 66 7.630 5.470 -4.473
513 2HG GLN 66 2HG GLN 66 6.623 4.631 -5.649
514 1HE2 GLN 66 1HE2 GLN 66 7.657 5.261 -7.593
515 2HE2 GLN 66 2HE2 GLN 66 7.819 6.878 -8.085
516 H TYR 67 H TYR 67 4.569 5.452 -1.602
517 HA TYR 67 HA TYR 67 2.104 6.727 -1.563
518 1HB TYR 67 1HB TYR 67 2.395 4.535 -0.565
519 2HB TYR 67 2HB TYR 67 3.491 5.192 0.649
520 HD1 TYR 67 HD1 TYR 67 2.657 6.154 2.655
521 HD2 TYR 67 HD2 TYR 67 -0.012 5.387 -0.620
522 HE1 TYR 67 HE1 TYR 67 0.720 6.705 4.103
523 HE2 TYR 67 HE2 TYR 67 -1.947 5.936 0.827
524 HH TYR 67 HH TYR 67 -1.689 6.228 4.209
525 H GLU 68 H GLU 68 4.702 7.074 0.864
526 HA GLU 68 HA GLU 68 3.578 9.141 2.353
527 1HB GLU 68 1HB GLU 68 5.577 7.865 3.036
528 2HB GLU 68 2HB GLU 68 6.513 8.666 1.773
529 1HG GLU 68 1HG GLU 68 6.203 10.824 2.811
530 2HG GLU 68 2HG GLU 68 5.046 10.164 3.962
531 H SER 69 H SER 69 5.640 9.311 -0.526
532 HA SER 69 HA SER 69 6.005 12.073 -0.638
533 1HB SER 69 1HB SER 69 7.247 10.512 -2.054
534 2HB SER 69 2HB SER 69 5.771 10.105 -2.924
535 HG SER 69 HG SER 69 6.961 11.699 -4.023
536 H GLU 70 H GLU 70 3.218 10.128 -1.540
537 HA GLU 70 HA GLU 70 1.943 12.293 -2.996
538 1HB GLU 70 1HB GLU 70 0.713 9.710 -2.015
539 2HB GLU 70 2HB GLU 70 0.093 10.774 -3.276
540 1HG GLU 70 1HG GLU 70 2.832 10.027 -3.842
541 2HG GLU 70 2HG GLU 70 1.841 8.592 -3.607
542 H VAL 71 H VAL 71 1.876 10.938 0.233
543 HA VAL 71 HA VAL 71 -0.413 12.589 1.010
544 HB VAL 71 HB VAL 71 1.223 10.938 2.919
545 1HG1 VAL 71 1HG1 VAL 71 -1.747 11.522 2.676
546 2HG1 VAL 71 2HG1 VAL 71 -0.631 12.382 3.737
547 3HG1 VAL 71 3HG1 VAL 71 -0.961 10.670 4.005
548 1HG2 VAL 71 1HG2 VAL 71 -0.342 9.983 0.596
549 2HG2 VAL 71 2HG2 VAL 71 -0.781 9.234 2.130
550 3HG2 VAL 71 3HG2 VAL 71 0.881 9.144 1.550
551 H HIS 72 H HIS 72 2.974 12.691 0.907
552 HA HIS 72 HA HIS 72 3.399 14.492 3.115
553 1HB HIS 72 1HB HIS 72 5.170 12.967 2.389
554 2HB HIS 72 2HB HIS 72 5.173 13.701 0.785
555 HD1 HIS 72 HD1 HIS 72 5.150 15.364 4.222
556 HD2 HIS 72 HD2 HIS 72 7.476 15.239 0.765
557 HE1 HIS 72 HE1 HIS 72 7.014 17.047 4.551
558 HE2 HIS 72 HE2 HIS 72 8.441 16.982 2.452
559 H GLY 73 H GLY 73 2.018 14.856 0.104
560 1HA GLY 73 2HA GLY 73 2.989 17.598 -0.316
561 2HA GLY 73 1HA GLY 73 2.018 16.655 -1.444
562 H ARG 74 H ARG 74 -0.084 15.821 0.084
563 HA ARG 74 HA ARG 74 -1.603 18.261 0.369
564 1HB ARG 74 1HB ARG 74 -3.505 16.829 0.579
565 2HB ARG 74 2HB ARG 74 -2.481 16.138 -0.674
566 1HG ARG 74 1HG ARG 74 -1.442 14.786 1.342
567 2HG ARG 74 2HG ARG 74 -2.980 15.159 2.121
568 1HD ARG 74 1HD ARG 74 -2.639 13.789 -0.562
569 2HD ARG 74 2HD ARG 74 -3.100 13.001 0.943
570 HE ARG 74 HE ARG 74 -4.775 14.796 -0.668
571 1HH1 ARG 74 1HH2 ARG 74 -4.317 12.873 2.186
572 2HH1 ARG 74 2HH2 ARG 74 -6.005 12.805 2.569
573 1HH2 ARG 74 1HH1 ARG 74 -6.981 14.704 -0.157
574 2HH2 ARG 74 2HH1 ARG 74 -7.507 13.840 1.248
575 H LEU 75 H LEU 75 -2.537 19.053 2.227
576 HA LEU 75 HA LEU 75 -1.400 18.042 4.759
577 1HB LEU 75 1HB LEU 75 -2.041 20.763 3.724
578 2HB LEU 75 2HB LEU 75 -2.301 20.480 5.443
579 HG LEU 75 HG LEU 75 -0.021 21.336 4.988
580 1HD1 LEU 75 1HD1 LEU 75 0.431 18.487 5.767
581 2HD1 LEU 75 2HD1 LEU 75 -0.688 19.438 6.747
582 3HD1 LEU 75 3HD1 LEU 75 0.983 19.968 6.550
583 1HD2 LEU 75 1HD2 LEU 75 0.016 20.072 2.700
584 2HD2 LEU 75 2HD2 LEU 75 0.611 18.710 3.649
585 3HD2 LEU 75 3HD2 LEU 75 1.520 20.221 3.608
586 H GLU 76 H GLU 76 -3.763 16.988 3.377
587 HA GLU 76 HA GLU 76 -6.048 17.886 4.931
588 1HB GLU 76 1HB GLU 76 -5.778 15.602 2.963
589 2HB GLU 76 2HB GLU 76 -7.289 16.202 3.645
590 1HG GLU 76 1HG GLU 76 -6.417 18.524 2.719
591 2HG GLU 76 2HG GLU 76 -5.465 17.497 1.648
592 H HIS 77 H HIS 77 -4.148 17.071 6.678
593 HA HIS 77 HA HIS 77 -5.183 14.479 7.668
594 1HB HIS 77 1HB HIS 77 -2.692 14.674 6.855
595 2HB HIS 77 2HB HIS 77 -2.452 15.489 8.399
596 HD1 HIS 77 HD1 HIS 77 -1.109 12.781 7.997
597 HD2 HIS 77 HD2 HIS 77 -4.934 13.185 9.610
598 HE1 HIS 77 HE1 HIS 77 -1.549 10.678 9.339
599 HE2 HIS 77 HE2 HIS 77 -3.876 10.910 10.328
600 H HIS 78 H HIS 78 -6.150 17.212 8.151
601 HA HIS 78 HA HIS 78 -5.449 17.614 10.983
602 1HB HIS 78 1HB HIS 78 -5.293 19.556 9.416
603 2HB HIS 78 2HB HIS 78 -7.030 19.425 9.141
604 HD1 HIS 78 HD1 HIS 78 -6.420 18.533 12.568
605 HD2 HIS 78 HD2 HIS 78 -6.749 22.143 10.505
606 HE1 HIS 78 HE1 HIS 78 -6.891 20.312 14.307
607 HE2 HIS 78 HE2 HIS 78 -7.095 22.517 13.066
608 H HIS 79 H HIS 79 -6.871 15.399 10.813
609 HA HIS 79 HA HIS 79 -8.877 14.328 11.259
610 1HB HIS 79 1HB HIS 79 -9.128 16.692 13.137
611 2HB HIS 79 2HB HIS 79 -9.904 15.120 13.319
612 HD1 HIS 79 HD1 HIS 79 -8.502 13.204 14.259
613 HD2 HIS 79 HD2 HIS 79 -6.258 16.644 13.544
614 HE1 HIS 79 HE1 HIS 79 -6.233 12.811 15.312
615 HE2 HIS 79 HE2 HIS 79 -4.853 14.898 14.886
616 H HIS 80 H HIS 80 -9.529 15.149 8.993
617 HA HIS 80 HA HIS 80 -11.495 17.256 8.892
618 1HB HIS 80 1HB HIS 80 -11.786 16.507 6.538
619 2HB HIS 80 2HB HIS 80 -10.100 16.814 6.948
620 HD1 HIS 80 HD1 HIS 80 -12.526 13.980 6.351
621 HD2 HIS 80 HD2 HIS 80 -8.429 14.546 6.882
622 HE1 HIS 80 HE1 HIS 80 -11.420 11.769 5.803
623 HE2 HIS 80 HE2 HIS 80 -8.922 12.096 6.124
624 H HIS 81 H HIS 81 -13.342 15.968 7.099
625 HA HIS 81 HA HIS 81 -15.384 15.208 8.793
626 1HB HIS 81 1HB HIS 81 -15.861 15.773 6.505
627 2HB HIS 81 2HB HIS 81 -14.878 14.434 5.912
628 HD1 HIS 81 HD1 HIS 81 -18.232 15.238 7.339
629 HD2 HIS 81 HD2 HIS 81 -16.080 11.837 6.251
630 HE1 HIS 81 HE1 HIS 81 -19.889 13.321 7.301
631 HE2 HIS 81 HE2 HIS 81 -18.592 11.241 6.640
632 H HIS 82 H HIS 82 -15.822 13.466 9.974
633 HA HIS 82 HA HIS 82 -14.043 11.177 9.893
634 1HB HIS 82 1HB HIS 82 -14.938 12.211 12.022
635 2HB HIS 82 2HB HIS 82 -16.515 11.547 11.597
636 HD1 HIS 82 HD1 HIS 82 -16.257 8.798 10.901
637 HD2 HIS 82 HD2 HIS 82 -13.541 10.443 13.602
638 HE1 HIS 82 HE1 HIS 82 -15.241 6.855 12.169
639 HE2 HIS 82 HE2 HIS 82 -13.583 7.841 13.820
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