NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9197 |
1nin   |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 2H GLU 1 -4.498 -5.670 -14.335
2 2H GLU 1 1H GLU 1 -5.755 -6.159 -15.354
3 3H GLU 1 3H GLU 1 -4.316 -7.014 -15.322
4 HA GLU 1 HA GLU 1 -3.301 -5.745 -16.777
5 1HB GLU 1 2HB GLU 1 -6.048 -4.330 -16.897
6 2HB GLU 1 1HB GLU 1 -4.820 -4.186 -18.127
7 1HG GLU 1 2HG GLU 1 -6.660 -5.881 -18.748
8 2HG GLU 1 1HG GLU 1 -5.071 -6.600 -18.766
9 H THR 2 H THR 2 -2.112 -3.515 -16.862
10 HA THR 2 HA THR 2 -1.685 -2.243 -14.377
11 HB THR 2 HB THR 2 -0.386 -2.159 -16.769
12 HG1 THR 2 HG1 THR 2 0.379 -1.252 -14.749
13 1HG2 THR 2 3HG2 THR 2 -2.099 -0.594 -17.829
14 2HG2 THR 2 2HG2 THR 2 -1.615 0.575 -16.600
15 3HG2 THR 2 1HG2 THR 2 -0.433 -0.024 -17.739
16 H TYR 3 H TYR 3 -3.479 -2.110 -13.376
17 HA TYR 3 HA TYR 3 -5.499 -0.041 -14.011
18 1HB TYR 3 2HB TYR 3 -5.089 -1.611 -11.388
19 2HB TYR 3 1HB TYR 3 -6.575 -0.832 -11.876
20 HD1 TYR 3 HD1 TYR 3 -7.295 -1.715 -14.405
21 HD2 TYR 3 HD2 TYR 3 -5.213 -3.985 -11.475
22 HE1 TYR 3 HE1 TYR 3 -8.126 -3.800 -15.420
23 HE2 TYR 3 HE2 TYR 3 -6.054 -6.043 -12.498
24 HH TYR 3 HH TYR 3 -7.971 -6.032 -15.450
25 H THR 4 H THR 4 -5.487 2.068 -13.001
26 HA THR 4 HA THR 4 -2.891 2.752 -11.705
27 HB THR 4 HB THR 4 -3.351 4.185 -13.530
28 HG1 THR 4 HG1 THR 4 -2.531 5.399 -12.111
29 1HG2 THR 4 3HG2 THR 4 -5.943 4.110 -13.441
30 2HG2 THR 4 2HG2 THR 4 -5.820 5.098 -11.985
31 3HG2 THR 4 1HG2 THR 4 -5.237 5.720 -13.517
32 H VAL 5 H VAL 5 -2.511 2.839 -9.898
33 HA VAL 5 HA VAL 5 -4.335 3.493 -7.659
34 HB VAL 5 HB VAL 5 -1.483 2.374 -7.782
35 1HG1 VAL 5 2HG1 VAL 5 -3.415 2.680 -5.414
36 2HG1 VAL 5 1HG1 VAL 5 -1.835 1.923 -5.340
37 3HG1 VAL 5 3HG1 VAL 5 -1.969 3.639 -5.656
38 1HG2 VAL 5 2HG2 VAL 5 -3.224 0.742 -8.542
39 2HG2 VAL 5 1HG2 VAL 5 -2.526 0.252 -7.008
40 3HG2 VAL 5 3HG2 VAL 5 -4.114 0.999 -7.044
41 H LYS 6 H LYS 6 -4.466 5.552 -7.592
42 HA LYS 6 HA LYS 6 -2.104 7.283 -8.111
43 1HB LYS 6 2HB LYS 6 -3.798 9.094 -8.299
44 2HB LYS 6 1HB LYS 6 -4.183 7.727 -9.320
45 1HG LYS 6 2HG LYS 6 -5.593 6.943 -7.171
46 2HG LYS 6 1HG LYS 6 -5.484 8.596 -6.719
47 1HD LYS 6 2HD LYS 6 -7.555 8.355 -7.941
48 2HD LYS 6 1HD LYS 6 -6.482 9.285 -8.940
49 1HE LYS 6 2HE LYS 6 -7.727 7.616 -10.258
50 2HE LYS 6 1HE LYS 6 -6.000 7.260 -10.341
51 1HZ LYS 6 3HZ LYS 6 -7.137 5.995 -8.072
52 2HZ LYS 6 2HZ LYS 6 -8.127 5.663 -9.255
53 3HZ LYS 6 1HZ LYS 6 -6.488 5.183 -9.376
54 H LEU 7 H LEU 7 -1.195 8.377 -6.714
55 HA LEU 7 HA LEU 7 -1.581 7.954 -3.806
56 1HB LEU 7 2HB LEU 7 0.662 9.292 -5.414
57 2HB LEU 7 1HB LEU 7 0.743 8.930 -3.712
58 HG LEU 7 HG LEU 7 0.221 6.492 -4.426
59 1HD1 LEU 7 1HD1 LEU 7 1.345 7.503 -7.061
60 2HD1 LEU 7 3HD1 LEU 7 1.197 5.821 -6.618
61 3HD1 LEU 7 2HD1 LEU 7 -0.228 6.768 -6.849
62 1HD2 LEU 7 1HD2 LEU 7 2.851 7.807 -5.154
63 2HD2 LEU 7 3HD2 LEU 7 2.377 7.262 -3.539
64 3HD2 LEU 7 2HD2 LEU 7 2.671 6.093 -4.816
65 H GLY 8 H GLY 8 -3.398 9.049 -3.749
66 1HA GLY 8 2HA GLY 8 -4.161 11.066 -2.459
67 2HA GLY 8 1HA GLY 8 -3.364 12.069 -3.682
68 H SER 9 H SER 9 -6.147 12.244 -3.172
69 HA SER 9 HA SER 9 -7.349 10.908 -5.596
70 1HB SER 9 2HB SER 9 -8.848 11.724 -3.095
71 2HB SER 9 1HB SER 9 -9.519 10.867 -4.494
72 HG SER 9 HG SER 9 -8.330 9.107 -3.972
73 H ASP 10 H ASP 10 -8.764 13.752 -3.916
74 HA ASP 10 HA ASP 10 -9.338 14.728 -6.654
75 1HB ASP 10 2HB ASP 10 -11.238 15.833 -5.475
76 2HB ASP 10 1HB ASP 10 -11.129 14.154 -5.057
77 H LYS 11 H LYS 11 -9.259 16.936 -4.012
78 HA LYS 11 HA LYS 11 -7.424 18.766 -5.497
79 1HB LYS 11 2HB LYS 11 -9.235 19.506 -3.165
80 2HB LYS 11 1HB LYS 11 -8.414 20.579 -4.257
81 1HG LYS 11 2HG LYS 11 -10.573 20.707 -5.191
82 2HG LYS 11 1HG LYS 11 -9.814 19.491 -6.176
83 1HD LYS 11 2HD LYS 11 -12.028 18.649 -5.562
84 2HD LYS 11 1HD LYS 11 -10.835 17.670 -4.770
85 1HE LYS 11 2HE LYS 11 -11.128 19.054 -2.690
86 2HE LYS 11 1HE LYS 11 -12.455 19.881 -3.504
87 1HZ LYS 11 1HZ LYS 11 -12.718 17.046 -3.827
88 2HZ LYS 11 3HZ LYS 11 -12.420 17.272 -2.287
89 3HZ LYS 11 2HZ LYS 11 -13.783 18.042 -2.953
90 H GLY 12 H GLY 12 -8.109 17.262 -2.452
91 1HA GLY 12 2HA GLY 12 -5.334 17.943 -1.416
92 2HA GLY 12 1HA GLY 12 -6.717 17.975 -0.357
93 H LEU 13 H LEU 13 -7.931 15.727 -0.629
94 HA LEU 13 HA LEU 13 -7.074 13.819 0.944
95 1HB LEU 13 2HB LEU 13 -8.399 13.617 -1.735
96 2HB LEU 13 1HB LEU 13 -8.078 12.129 -0.880
97 HG LEU 13 HG LEU 13 -9.482 12.809 0.995
98 1HD1 LEU 13 3HD1 LEU 13 -9.871 15.463 -0.474
99 2HD1 LEU 13 2HD1 LEU 13 -10.672 14.968 1.000
100 3HD1 LEU 13 1HD1 LEU 13 -8.959 15.294 1.029
101 1HD2 LEU 13 1HD2 LEU 13 -10.621 11.936 -1.057
102 2HD2 LEU 13 3HD2 LEU 13 -11.626 13.109 -0.233
103 3HD2 LEU 13 2HD2 LEU 13 -10.754 13.571 -1.670
104 H LEU 14 H LEU 14 -5.134 12.922 1.400
105 HA LEU 14 HA LEU 14 -3.302 12.042 -0.784
106 1HB LEU 14 2HB LEU 14 -2.946 12.720 2.147
107 2HB LEU 14 1HB LEU 14 -1.674 11.936 1.253
108 HG LEU 14 HG LEU 14 -3.016 14.455 0.192
109 1HD1 LEU 14 2HD1 LEU 14 -2.024 14.880 2.485
110 2HD1 LEU 14 1HD1 LEU 14 -0.505 14.200 1.932
111 3HD1 LEU 14 3HD1 LEU 14 -1.115 15.681 1.221
112 1HD2 LEU 14 1HD2 LEU 14 -1.500 12.972 -1.299
113 2HD2 LEU 14 3HD2 LEU 14 -0.805 14.560 -1.011
114 3HD2 LEU 14 2HD2 LEU 14 -0.231 13.168 -0.121
115 H VAL 15 H VAL 15 -5.189 10.241 -0.788
116 HA VAL 15 HA VAL 15 -4.195 7.904 0.815
117 HB VAL 15 HB VAL 15 -6.469 6.961 0.552
118 1HG1 VAL 15 1HG1 VAL 15 -5.994 8.468 2.470
119 2HG1 VAL 15 3HG1 VAL 15 -6.479 9.853 1.510
120 3HG1 VAL 15 2HG1 VAL 15 -7.657 8.623 1.931
121 1HG2 VAL 15 1HG2 VAL 15 -7.029 7.991 -1.672
122 2HG2 VAL 15 3HG2 VAL 15 -8.252 8.334 -0.473
123 3HG2 VAL 15 2HG2 VAL 15 -7.104 9.571 -0.928
124 H PHE 16 H PHE 16 -5.129 5.838 -0.307
125 HA PHE 16 HA PHE 16 -3.753 5.539 -2.949
126 1HB PHE 16 2HB PHE 16 -3.980 3.860 -0.500
127 2HB PHE 16 1HB PHE 16 -4.332 2.961 -1.954
128 HD1 PHE 16 HD1 PHE 16 -1.823 5.410 -0.676
129 HD2 PHE 16 HD2 PHE 16 -2.588 2.033 -3.099
130 HE1 PHE 16 HE1 PHE 16 0.598 5.203 -1.133
131 HE2 PHE 16 HE2 PHE 16 -0.185 1.811 -3.580
132 HZ PHE 16 HZ PHE 16 1.413 3.402 -2.591
133 H GLU 17 H GLU 17 -5.223 5.977 -4.460
134 HA GLU 17 HA GLU 17 -7.858 4.501 -4.401
135 1HB GLU 17 2HB GLU 17 -7.891 6.965 -4.287
136 2HB GLU 17 1HB GLU 17 -7.129 7.075 -5.841
137 1HG GLU 17 2HG GLU 17 -9.822 5.624 -5.434
138 2HG GLU 17 1HG GLU 17 -9.746 7.312 -5.846
139 HA PRO 18 HA PRO 18 -8.426 2.647 -4.745
140 1HB PRO 18 2HB PRO 18 -8.310 0.066 -5.469
141 2HB PRO 18 1HB PRO 18 -9.224 1.253 -6.416
142 1HG PRO 18 2HG PRO 18 -6.291 0.424 -6.882
143 2HG PRO 18 1HG PRO 18 -7.630 0.238 -8.025
144 1HD PRO 18 2HD PRO 18 -6.093 2.462 -8.143
145 2HD PRO 18 1HD PRO 18 -7.850 2.648 -8.303
146 H ALA 19 H ALA 19 -8.055 0.960 -3.124
147 HA ALA 19 HA ALA 19 -5.287 0.959 -2.126
148 1HB ALA 19 2HB ALA 19 -6.901 2.249 -0.800
149 2HB ALA 19 1HB ALA 19 -7.952 0.856 -0.631
150 3HB ALA 19 3HB ALA 19 -6.376 0.871 0.149
151 H LYS 20 H LYS 20 -8.076 -1.186 -2.175
152 HA LYS 20 HA LYS 20 -6.321 -3.575 -1.681
153 1HB LYS 20 2HB LYS 20 -7.882 -3.752 0.012
154 2HB LYS 20 1HB LYS 20 -8.970 -2.619 -0.719
155 1HG LYS 20 2HG LYS 20 -10.197 -4.616 -0.465
156 2HG LYS 20 1HG LYS 20 -9.890 -4.510 -2.165
157 1HD LYS 20 2HD LYS 20 -8.206 -6.237 -0.250
158 2HD LYS 20 1HD LYS 20 -9.607 -6.840 -1.099
159 1HE LYS 20 2HE LYS 20 -8.424 -6.160 -3.268
160 2HE LYS 20 1HE LYS 20 -6.976 -5.951 -2.261
161 1HZ LYS 20 3HZ LYS 20 -8.094 -8.386 -1.458
162 2HZ LYS 20 2HZ LYS 20 -8.052 -8.424 -3.139
163 3HZ LYS 20 1HZ LYS 20 -6.712 -8.148 -2.215
164 H LEU 21 H LEU 21 -5.648 -4.212 -3.625
165 HA LEU 21 HA LEU 21 -7.574 -4.490 -5.889
166 1HB LEU 21 2HB LEU 21 -5.551 -2.919 -5.975
167 2HB LEU 21 1HB LEU 21 -4.605 -4.365 -6.094
168 HG LEU 21 HG LEU 21 -6.429 -3.128 -8.158
169 1HD1 LEU 21 1HD1 LEU 21 -3.832 -4.688 -8.205
170 2HD1 LEU 21 3HD1 LEU 21 -4.560 -3.980 -9.615
171 3HD1 LEU 21 2HD1 LEU 21 -3.985 -2.953 -8.316
172 1HD2 LEU 21 1HD2 LEU 21 -5.966 -6.153 -8.206
173 2HD2 LEU 21 3HD2 LEU 21 -7.527 -5.404 -8.047
174 3HD2 LEU 21 2HD2 LEU 21 -6.616 -5.224 -9.509
175 H THR 22 H THR 22 -8.246 -6.594 -6.244
176 HA THR 22 HA THR 22 -6.207 -8.803 -5.944
177 HB THR 22 HB THR 22 -9.268 -8.924 -6.459
178 HG1 THR 22 HG1 THR 22 -7.370 -9.475 -4.372
179 1HG2 THR 22 3HG2 THR 22 -7.888 -10.941 -7.455
180 2HG2 THR 22 2HG2 THR 22 -7.310 -11.247 -5.835
181 3HG2 THR 22 1HG2 THR 22 -9.007 -11.353 -6.175
182 H ILE 23 H ILE 23 -5.037 -9.052 -7.675
183 HA ILE 23 HA ILE 23 -5.992 -8.213 -10.322
184 HB ILE 23 HB ILE 23 -3.474 -8.197 -10.867
185 1HG1 ILE 23 2HG1 ILE 23 -2.860 -8.602 -7.977
186 2HG1 ILE 23 1HG1 ILE 23 -3.279 -10.017 -8.911
187 1HG2 ILE 23 1HG2 ILE 23 -4.574 -6.207 -10.002
188 2HG2 ILE 23 3HG2 ILE 23 -4.107 -6.717 -8.375
189 3HG2 ILE 23 2HG2 ILE 23 -2.890 -6.336 -9.581
190 1HD1 ILE 23 3HD1 ILE 23 -1.177 -8.025 -9.834
191 2HD1 ILE 23 2HD1 ILE 23 -0.819 -9.525 -8.998
192 3HD1 ILE 23 1HD1 ILE 23 -1.588 -9.566 -10.560
193 H LYS 24 H LYS 24 -3.851 -9.787 -11.460
194 HA LYS 24 HA LYS 24 -5.262 -12.344 -11.375
195 1HB LYS 24 2HB LYS 24 -3.813 -10.848 -13.602
196 2HB LYS 24 1HB LYS 24 -3.891 -12.566 -13.761
197 1HG LYS 24 2HG LYS 24 -5.691 -11.292 -14.976
198 2HG LYS 24 1HG LYS 24 -6.312 -12.520 -13.888
199 1HD LYS 24 2HD LYS 24 -7.114 -10.947 -12.306
200 2HD LYS 24 1HD LYS 24 -5.981 -9.711 -12.787
201 1HE LYS 24 2HE LYS 24 -8.172 -10.593 -14.663
202 2HE LYS 24 1HE LYS 24 -8.397 -9.311 -13.466
203 1HZ LYS 24 3HZ LYS 24 -5.875 -8.899 -14.656
204 2HZ LYS 24 2HZ LYS 24 -6.916 -9.059 -15.942
205 3HZ LYS 24 1HZ LYS 24 -7.200 -7.933 -14.814
206 HA PRO 25 HA PRO 25 -1.272 -14.406 -10.247
207 1HB PRO 25 2HB PRO 25 -1.074 -16.543 -11.921
208 2HB PRO 25 1HB PRO 25 -2.277 -16.480 -10.625
209 1HG PRO 25 2HG PRO 25 -2.663 -15.554 -13.548
210 2HG PRO 25 1HG PRO 25 -3.606 -16.801 -12.711
211 1HD PRO 25 2HD PRO 25 -4.609 -14.324 -12.685
212 2HD PRO 25 1HD PRO 25 -4.517 -15.186 -11.141
213 H GLY 26 H GLY 26 -0.541 -12.190 -11.310
214 1HA GLY 26 2HA GLY 26 1.768 -11.624 -12.218
215 2HA GLY 26 1HA GLY 26 1.506 -12.824 -13.476
216 H ASP 27 H ASP 27 -0.114 -10.096 -12.127
217 HA ASP 27 HA ASP 27 -0.906 -9.101 -14.814
218 1HB ASP 27 2HB ASP 27 -2.477 -9.698 -12.764
219 2HB ASP 27 1HB ASP 27 -1.852 -8.223 -12.073
220 H THR 28 H THR 28 -1.187 -6.702 -14.731
221 HA THR 28 HA THR 28 1.330 -5.300 -14.092
222 HB THR 28 HB THR 28 -0.582 -4.534 -16.300
223 HG1 THR 28 HG1 THR 28 1.981 -5.708 -16.467
224 1HG2 THR 28 1HG2 THR 28 2.413 -4.015 -15.785
225 2HG2 THR 28 3HG2 THR 28 1.470 -3.346 -17.090
226 3HG2 THR 28 2HG2 THR 28 1.226 -2.803 -15.435
227 H VAL 29 H VAL 29 1.179 -3.550 -12.941
228 HA VAL 29 HA VAL 29 -1.399 -2.393 -12.048
229 HB VAL 29 HB VAL 29 1.026 -2.796 -10.441
230 1HG1 VAL 29 2HG1 VAL 29 -1.650 -1.427 -9.780
231 2HG1 VAL 29 1HG1 VAL 29 -0.392 -1.796 -8.617
232 3HG1 VAL 29 3HG1 VAL 29 -0.112 -0.594 -9.850
233 1HG2 VAL 29 2HG2 VAL 29 -1.878 -3.787 -10.351
234 2HG2 VAL 29 1HG2 VAL 29 -0.503 -4.770 -10.803
235 3HG2 VAL 29 3HG2 VAL 29 -0.654 -4.156 -9.161
236 H GLU 30 H GLU 30 -1.420 0.064 -11.996
237 HA GLU 30 HA GLU 30 0.983 1.420 -13.014
238 1HB GLU 30 2HB GLU 30 -1.059 1.243 -14.423
239 2HB GLU 30 1HB GLU 30 -1.880 2.255 -13.282
240 1HG GLU 30 2HG GLU 30 0.584 3.033 -14.933
241 2HG GLU 30 1HG GLU 30 -1.024 3.705 -15.067
242 H PHE 31 H PHE 31 1.875 2.937 -11.712
243 HA PHE 31 HA PHE 31 0.479 3.792 -9.183
244 1HB PHE 31 2HB PHE 31 3.451 3.568 -9.699
245 2HB PHE 31 1HB PHE 31 2.697 4.008 -8.181
246 HD1 PHE 31 HD1 PHE 31 3.007 1.272 -10.673
247 HD2 PHE 31 HD2 PHE 31 1.840 2.308 -6.723
248 HE1 PHE 31 HE1 PHE 31 2.787 -1.104 -10.125
249 HE2 PHE 31 HE2 PHE 31 1.616 -0.079 -6.161
250 HZ PHE 31 HZ PHE 31 2.090 -1.788 -7.863
251 H LEU 32 H LEU 32 -0.362 5.813 -9.650
252 HA LEU 32 HA LEU 32 1.313 7.816 -11.013
253 1HB LEU 32 2HB LEU 32 -0.740 7.145 -12.153
254 2HB LEU 32 1HB LEU 32 -1.710 7.661 -10.805
255 HG LEU 32 HG LEU 32 0.129 9.609 -12.315
256 1HD1 LEU 32 3HD1 LEU 32 -1.498 8.467 -13.896
257 2HD1 LEU 32 2HD1 LEU 32 -2.814 8.929 -12.846
258 3HD1 LEU 32 1HD1 LEU 32 -1.885 10.165 -13.682
259 1HD2 LEU 32 1HD2 LEU 32 -2.520 9.995 -10.810
260 2HD2 LEU 32 3HD2 LEU 32 -0.959 10.377 -10.129
261 3HD2 LEU 32 2HD2 LEU 32 -1.532 11.268 -11.506
262 H ASN 33 H ASN 33 2.066 9.514 -9.936
263 HA ASN 33 HA ASN 33 1.340 9.986 -7.143
264 1HB ASN 33 2HB ASN 33 3.145 11.582 -7.155
265 2HB ASN 33 1HB ASN 33 3.564 10.563 -8.534
266 1HD2 ASN 33 2HD2 ASN 33 3.125 14.292 -9.250
267 2HD2 ASN 33 1HD2 ASN 33 3.321 13.732 -7.650
268 H ASN 34 H ASN 34 -0.433 11.141 -6.342
269 HA ASN 34 HA ASN 34 -1.783 13.024 -8.304
270 1HB ASN 34 2HB ASN 34 -3.072 11.020 -7.357
271 2HB ASN 34 1HB ASN 34 -2.941 11.743 -5.780
272 1HD2 ASN 34 2HD2 ASN 34 -6.160 12.676 -7.522
273 2HD2 ASN 34 1HD2 ASN 34 -5.370 11.173 -7.402
274 H LYS 35 H LYS 35 -0.942 12.909 -4.868
275 HA LYS 35 HA LYS 35 -0.734 15.916 -4.922
276 1HB LYS 35 2HB LYS 35 -2.120 14.239 -2.766
277 2HB LYS 35 1HB LYS 35 -2.012 15.995 -2.747
278 1HG LYS 35 2HG LYS 35 -2.968 15.840 -5.150
279 2HG LYS 35 1HG LYS 35 -3.340 14.179 -4.767
280 1HD LYS 35 2HD LYS 35 -4.705 14.846 -2.866
281 2HD LYS 35 1HD LYS 35 -4.479 16.548 -3.254
282 1HE LYS 35 2HE LYS 35 -5.744 14.375 -4.984
283 2HE LYS 35 1HE LYS 35 -6.542 15.761 -4.257
284 1HZ LYS 35 1HZ LYS 35 -4.342 16.779 -5.664
285 2HZ LYS 35 3HZ LYS 35 -4.990 15.588 -6.645
286 3HZ LYS 35 2HZ LYS 35 -5.950 16.895 -6.188
287 H VAL 36 H VAL 36 -0.056 16.528 -2.451
288 HA VAL 36 HA VAL 36 2.345 17.052 -1.901
289 HB VAL 36 HB VAL 36 0.944 15.192 0.021
290 1HG1 VAL 36 2HG1 VAL 36 3.173 17.227 0.528
291 2HG1 VAL 36 1HG1 VAL 36 2.300 16.339 1.760
292 3HG1 VAL 36 3HG1 VAL 36 3.341 15.485 0.647
293 1HG2 VAL 36 2HG2 VAL 36 1.053 18.256 -0.231
294 2HG2 VAL 36 1HG2 VAL 36 -0.358 17.279 -0.611
295 3HG2 VAL 36 3HG2 VAL 36 0.222 17.383 1.036
296 HA PRO 37 HA PRO 37 4.962 13.576 -3.002
297 1HB PRO 37 2HB PRO 37 7.027 14.935 -4.038
298 2HB PRO 37 1HB PRO 37 5.430 15.068 -4.798
299 1HG PRO 37 2HG PRO 37 6.656 16.931 -2.676
300 2HG PRO 37 1HG PRO 37 6.066 17.390 -4.275
301 1HD PRO 37 2HD PRO 37 4.473 17.521 -2.026
302 2HD PRO 37 1HD PRO 37 3.789 17.146 -3.631
303 HA PRO 38 HA PRO 38 6.910 12.826 -3.721
304 1HB PRO 38 2HB PRO 38 9.362 11.842 -3.778
305 2HB PRO 38 1HB PRO 38 9.183 13.598 -3.707
306 1HG PRO 38 2HG PRO 38 9.741 11.699 -1.365
307 2HG PRO 38 1HG PRO 38 10.564 13.210 -1.759
308 1HD PRO 38 2HD PRO 38 8.362 12.983 0.061
309 2HD PRO 38 1HD PRO 38 8.895 14.505 -0.677
310 H HIS 39 HN HIP 39 6.519 10.627 -4.275
311 HA HIS 39 HA HIP 39 6.078 8.860 -1.867
312 1HB HIS 39 2HB HIP 39 4.605 8.646 -4.478
313 2HB HIS 39 1HB HIP 39 4.195 7.907 -2.958
314 HD2 HIS 39 HD2 HIP 39 3.819 11.189 -4.949
315 HE1 HIS 39 HE1 HIP 39 1.630 11.732 -1.470
316 HE2 HIS 39 HE2 HIP 39 2.170 12.605 -3.615
317 H ASN 40 H ASN 40 7.469 7.184 -1.621
318 HA ASN 40 HA ASN 40 8.378 5.630 -4.043
319 1HB ASN 40 2HB ASN 40 9.600 6.158 -1.346
320 2HB ASN 40 1HB ASN 40 10.001 4.672 -2.137
321 1HD2 ASN 40 2HD2 ASN 40 12.292 7.536 -2.985
322 2HD2 ASN 40 1HD2 ASN 40 11.612 7.005 -1.491
323 H VAL 41 H VAL 41 7.609 3.317 -4.029
324 HA VAL 41 HA VAL 41 6.058 2.664 -1.538
325 HB VAL 41 HB VAL 41 4.849 1.033 -2.835
326 1HG1 VAL 41 3HG1 VAL 41 3.921 3.306 -2.446
327 2HG1 VAL 41 2HG1 VAL 41 4.739 3.912 -3.878
328 3HG1 VAL 41 1HG1 VAL 41 3.429 2.755 -4.041
329 1HG2 VAL 41 3HG2 VAL 41 6.398 0.739 -4.820
330 2HG2 VAL 41 2HG2 VAL 41 4.824 1.250 -5.374
331 3HG2 VAL 41 1HG2 VAL 41 6.138 2.401 -5.281
332 H VAL 42 H VAL 42 7.012 1.414 -0.277
333 HA VAL 42 HA VAL 42 8.900 -0.718 -1.268
334 HB VAL 42 HB VAL 42 8.513 0.559 1.456
335 1HG1 VAL 42 2HG1 VAL 42 9.436 -1.824 1.527
336 2HG1 VAL 42 1HG1 VAL 42 10.682 -1.334 0.387
337 3HG1 VAL 42 3HG1 VAL 42 10.632 -0.637 1.999
338 1HG2 VAL 42 1HG2 VAL 42 10.709 0.848 -0.643
339 2HG2 VAL 42 3HG2 VAL 42 9.505 2.056 -0.256
340 3HG2 VAL 42 2HG2 VAL 42 10.702 1.616 0.937
341 H PHE 43 H PHE 43 8.388 -2.884 -0.682
342 HA PHE 43 HA PHE 43 5.527 -3.355 -0.014
343 1HB PHE 43 2HB PHE 43 7.545 -5.145 -1.220
344 2HB PHE 43 1HB PHE 43 6.154 -5.847 -0.483
345 HD1 PHE 43 HD2 PHE 43 5.713 -2.625 -2.271
346 HD2 PHE 43 HD1 PHE 43 5.518 -6.853 -2.492
347 HE1 PHE 43 HE2 PHE 43 4.449 -2.454 -4.382
348 HE2 PHE 43 HE1 PHE 43 4.255 -6.696 -4.588
349 HZ PHE 43 HZ PHE 43 3.716 -4.491 -5.538
350 H ASP 44 H ASP 44 4.931 -5.092 1.124
351 HA ASP 44 HA ASP 44 4.938 -5.294 3.731
352 1HB ASP 44 2HB ASP 44 4.488 -7.882 3.103
353 2HB ASP 44 1HB ASP 44 3.432 -6.612 2.520
354 H ALA 45 H ALA 45 7.677 -4.806 3.902
355 HA ALA 45 HA ALA 45 9.443 -6.941 4.221
356 1HB ALA 45 3HB ALA 45 9.959 -4.402 4.556
357 2HB ALA 45 2HB ALA 45 9.037 -4.434 6.044
358 3HB ALA 45 1HB ALA 45 10.550 -5.318 5.927
359 H ALA 46 H ALA 46 6.942 -6.018 6.255
360 HA ALA 46 HA ALA 46 7.403 -8.358 8.071
361 1HB ALA 46 2HB ALA 46 5.807 -5.797 8.488
362 2HB ALA 46 1HB ALA 46 6.004 -7.069 9.682
363 3HB ALA 46 3HB ALA 46 7.394 -6.156 9.137
364 H LEU 47 H LEU 47 4.645 -6.838 6.362
365 HA LEU 47 HA LEU 47 2.938 -9.156 6.963
366 1HB LEU 47 2HB LEU 47 2.422 -6.434 5.777
367 2HB LEU 47 1HB LEU 47 1.183 -7.643 5.871
368 HG LEU 47 HG LEU 47 1.449 -7.761 8.361
369 1HD1 LEU 47 2HD1 LEU 47 3.237 -5.317 7.931
370 2HD1 LEU 47 1HD1 LEU 47 2.614 -5.874 9.473
371 3HD1 LEU 47 3HD1 LEU 47 3.753 -6.864 8.604
372 1HD2 LEU 47 2HD2 LEU 47 0.901 -5.016 7.145
373 2HD2 LEU 47 1HD2 LEU 47 -0.252 -6.334 7.255
374 3HD2 LEU 47 3HD2 LEU 47 0.336 -5.561 8.715
375 H ASN 48 H ASN 48 4.436 -10.458 5.210
376 HA ASN 48 HA ASN 48 2.645 -10.676 2.813
377 1HB ASN 48 2HB ASN 48 4.748 -11.361 1.483
378 2HB ASN 48 1HB ASN 48 4.616 -9.705 1.956
379 1HD2 ASN 48 2HD2 ASN 48 7.909 -9.981 2.971
380 2HD2 ASN 48 1HD2 ASN 48 6.754 -9.218 1.981
381 HA PRO 49 HA PRO 49 1.573 -14.778 3.569
382 1HB PRO 49 2HB PRO 49 2.233 -16.028 1.091
383 2HB PRO 49 1HB PRO 49 0.722 -15.202 1.463
384 1HG PRO 49 2HG PRO 49 3.232 -14.024 0.143
385 2HG PRO 49 1HG PRO 49 1.555 -13.862 -0.361
386 1HD PRO 49 2HD PRO 49 2.598 -11.843 1.010
387 2HD PRO 49 1HD PRO 49 1.019 -12.441 1.567
388 H ALA 50 H ALA 50 4.659 -14.884 1.925
389 HA ALA 50 HA ALA 50 5.548 -17.106 3.748
390 1HB ALA 50 1HB ALA 50 5.690 -17.492 1.276
391 2HB ALA 50 3HB ALA 50 6.716 -16.068 1.118
392 3HB ALA 50 2HB ALA 50 7.297 -17.467 1.997
393 H LYS 51 H LYS 51 5.376 -14.753 4.933
394 HA LYS 51 HA LYS 51 6.643 -12.770 5.600
395 1HB LYS 51 2HB LYS 51 5.913 -14.335 7.325
396 2HB LYS 51 1HB LYS 51 7.442 -15.179 7.203
397 1HG LYS 51 2HG LYS 51 7.276 -13.492 9.129
398 2HG LYS 51 1HG LYS 51 8.691 -13.343 8.147
399 1HD LYS 51 2HD LYS 51 6.241 -11.672 7.395
400 2HD LYS 51 1HD LYS 51 7.128 -11.206 8.807
401 1HE LYS 51 2HE LYS 51 8.581 -10.053 7.550
402 2HE LYS 51 1HE LYS 51 9.175 -11.533 6.869
403 1HZ LYS 51 2HZ LYS 51 6.737 -10.911 5.510
404 2HZ LYS 51 1HZ LYS 51 7.672 -9.519 5.503
405 3HZ LYS 51 3HZ LYS 51 8.265 -10.905 4.859
406 H SER 52 H SER 52 8.083 -12.906 3.519
407 HA SER 52 HA SER 52 10.977 -13.155 4.336
408 1HB SER 52 2HB SER 52 11.476 -13.945 2.196
409 2HB SER 52 1HB SER 52 9.784 -14.394 2.220
410 HG SER 52 HG SER 52 10.953 -12.788 0.618
411 H ALA 53 H ALA 53 12.333 -11.617 2.907
412 HA ALA 53 HA ALA 53 11.185 -8.820 2.881
413 1HB ALA 53 2HB ALA 53 13.972 -9.765 3.808
414 2HB ALA 53 1HB ALA 53 13.446 -8.087 3.795
415 3HB ALA 53 3HB ALA 53 12.695 -9.242 4.885
416 H ASP 54 H ASP 54 13.816 -10.770 1.987
417 HA ASP 54 HA ASP 54 15.232 -9.902 -0.054
418 1HB ASP 54 2HB ASP 54 15.005 -12.509 -0.728
419 2HB ASP 54 1HB ASP 54 15.597 -12.096 0.871
420 H LEU 55 H LEU 55 12.247 -11.507 -0.716
421 HA LEU 55 HA LEU 55 12.074 -10.648 -3.517
422 1HB LEU 55 2HB LEU 55 11.501 -12.921 -2.801
423 2HB LEU 55 1HB LEU 55 10.335 -12.333 -1.662
424 HG LEU 55 HG LEU 55 9.457 -13.334 -3.910
425 1HD1 LEU 55 3HD1 LEU 55 8.050 -11.993 -2.306
426 2HD1 LEU 55 2HD1 LEU 55 8.498 -10.523 -3.150
427 3HD1 LEU 55 1HD1 LEU 55 7.602 -11.774 -3.978
428 1HD2 LEU 55 1HD2 LEU 55 10.991 -12.015 -5.414
429 2HD2 LEU 55 3HD2 LEU 55 9.305 -11.734 -5.785
430 3HD2 LEU 55 2HD2 LEU 55 10.210 -10.529 -4.901
431 H ALA 56 H ALA 56 10.042 -10.183 -0.621
432 HA ALA 56 HA ALA 56 8.079 -8.432 -1.425
433 1HB ALA 56 3HB ALA 56 8.508 -9.147 0.903
434 2HB ALA 56 2HB ALA 56 9.886 -8.071 1.026
435 3HB ALA 56 1HB ALA 56 8.264 -7.413 0.847
436 H LYS 57 H LYS 57 11.280 -7.214 -0.544
437 HA LYS 57 HA LYS 57 10.665 -4.629 -1.904
438 1HB LYS 57 2HB LYS 57 13.058 -4.016 -0.988
439 2HB LYS 57 1HB LYS 57 11.783 -4.282 0.155
440 1HG LYS 57 2HG LYS 57 13.988 -5.366 0.821
441 2HG LYS 57 1HG LYS 57 12.600 -6.409 0.854
442 1HD LYS 57 2HD LYS 57 14.461 -7.609 -0.221
443 2HD LYS 57 1HD LYS 57 13.215 -7.316 -1.398
444 1HE LYS 57 2HE LYS 57 14.722 -5.099 -1.872
445 2HE LYS 57 1HE LYS 57 15.940 -6.123 -1.156
446 1HZ LYS 57 1HZ LYS 57 14.503 -7.829 -2.823
447 2HZ LYS 57 3HZ LYS 57 14.615 -6.464 -3.717
448 3HZ LYS 57 2HZ LYS 57 16.017 -7.245 -3.167
449 H SER 58 H SER 58 10.897 -6.876 -3.448
450 HA SER 58 HA SER 58 12.827 -6.007 -5.579
451 1HB SER 58 2HB SER 58 12.367 -8.809 -4.477
452 2HB SER 58 1HB SER 58 12.659 -8.618 -6.209
453 HG SER 58 HG SER 58 14.654 -8.247 -5.700
454 H LEU 59 H LEU 59 9.894 -6.135 -4.532
455 HA LEU 59 HA LEU 59 8.488 -6.421 -7.138
456 1HB LEU 59 2HB LEU 59 7.396 -6.733 -4.283
457 2HB LEU 59 1HB LEU 59 6.451 -6.874 -5.745
458 HG LEU 59 HG LEU 59 8.584 -8.754 -4.696
459 1HD1 LEU 59 3HD1 LEU 59 5.646 -9.013 -5.487
460 2HD1 LEU 59 2HD1 LEU 59 6.627 -10.331 -4.905
461 3HD1 LEU 59 1HD1 LEU 59 6.260 -8.982 -3.847
462 1HD2 LEU 59 1HD2 LEU 59 7.209 -8.843 -7.430
463 2HD2 LEU 59 3HD2 LEU 59 8.921 -8.541 -7.175
464 3HD2 LEU 59 2HD2 LEU 59 8.242 -10.097 -6.766
465 H SER 60 H SER 60 8.538 -4.846 -3.877
466 HA SER 60 HA SER 60 7.109 -2.507 -4.657
467 1HB SER 60 2HB SER 60 7.777 -1.696 -2.569
468 2HB SER 60 1HB SER 60 7.744 -3.445 -2.427
469 HG SER 60 HG SER 60 10.189 -2.582 -3.273
470 H HIS 61 H HIS 61 7.675 -0.577 -5.496
471 HA HIS 61 HA HIS 61 10.504 -0.232 -6.365
472 1HB HIS 61 2HB HIS 61 9.147 1.020 -8.364
473 2HB HIS 61 1HB HIS 61 9.433 -0.711 -8.358
474 HD1 HIS 61 HD1 HIS 61 7.385 -2.153 -7.437
475 HD2 HIS 61 HD2 HIS 61 6.479 1.751 -8.253
476 HE1 HIS 61 HE1 HIS 61 4.901 -1.989 -7.543
477 H LYS 62 H LYS 62 11.557 1.510 -6.208
478 HA LYS 62 HA LYS 62 10.354 3.935 -4.904
479 1HB LYS 62 2HB LYS 62 13.189 3.004 -5.009
480 2HB LYS 62 1HB LYS 62 12.590 4.484 -4.266
481 1HG LYS 62 2HG LYS 62 11.029 3.000 -2.779
482 2HG LYS 62 1HG LYS 62 11.824 1.608 -3.442
483 1HD LYS 62 2HD LYS 62 12.656 2.373 -1.154
484 2HD LYS 62 1HD LYS 62 13.917 2.115 -2.344
485 1HE LYS 62 2HE LYS 62 14.335 4.425 -2.574
486 2HE LYS 62 1HE LYS 62 12.716 4.862 -2.049
487 1HZ LYS 62 2HZ LYS 62 13.777 3.431 0.067
488 2HZ LYS 62 1HZ LYS 62 15.007 4.565 -0.320
489 3HZ LYS 62 3HZ LYS 62 13.384 4.954 0.030
490 H GLN 63 H GLN 63 9.716 4.902 -6.637
491 HA GLN 63 HA GLN 63 11.790 6.079 -8.463
492 1HB GLN 63 2HB GLN 63 10.186 4.374 -9.454
493 2HB GLN 63 1HB GLN 63 8.854 5.427 -9.032
494 1HG GLN 63 2HG GLN 63 10.001 7.221 -10.604
495 2HG GLN 63 1HG GLN 63 10.955 5.882 -11.221
496 1HE2 GLN 63 2HE2 GLN 63 8.169 4.310 -12.729
497 2HE2 GLN 63 1HE2 GLN 63 9.758 4.100 -12.193
498 H LEU 64 H LEU 64 11.029 7.101 -6.022
499 HA LEU 64 HA LEU 64 9.889 8.907 -4.929
500 1HB LEU 64 2HB LEU 64 12.023 9.934 -6.838
501 2HB LEU 64 1HB LEU 64 11.312 10.965 -5.633
502 HG LEU 64 HG LEU 64 12.063 9.203 -3.883
503 1HD1 LEU 64 2HD1 LEU 64 13.850 8.429 -6.244
504 2HD1 LEU 64 1HD1 LEU 64 14.069 7.868 -4.603
505 3HD1 LEU 64 3HD1 LEU 64 12.681 7.351 -5.523
506 1HD2 LEU 64 1HD2 LEU 64 14.123 10.744 -5.508
507 2HD2 LEU 64 3HD2 LEU 64 13.148 11.409 -4.213
508 3HD2 LEU 64 2HD2 LEU 64 14.356 10.186 -3.862
509 H LEU 65 H LEU 65 7.812 8.459 -6.264
510 HA LEU 65 HA LEU 65 6.958 10.113 -8.386
511 1HB LEU 65 2HB LEU 65 5.678 8.527 -6.190
512 2HB LEU 65 1HB LEU 65 4.619 9.684 -6.952
513 HG LEU 65 HG LEU 65 5.296 8.610 -9.201
514 1HD1 LEU 65 2HD1 LEU 65 6.559 6.554 -7.332
515 2HD1 LEU 65 1HD1 LEU 65 6.371 6.395 -9.073
516 3HD1 LEU 65 3HD1 LEU 65 7.438 7.614 -8.425
517 1HD2 LEU 65 1HD2 LEU 65 4.105 6.754 -7.095
518 2HD2 LEU 65 3HD2 LEU 65 3.219 7.967 -8.011
519 3HD2 LEU 65 2HD2 LEU 65 3.926 6.597 -8.837
520 H MET 66 H MET 66 7.810 12.015 -8.168
521 HA MET 66 HA MET 66 6.755 13.940 -6.126
522 1HB MET 66 2HB MET 66 9.115 13.434 -5.977
523 2HB MET 66 1HB MET 66 9.365 13.911 -7.628
524 1HG MET 66 2HG MET 66 8.754 16.236 -7.119
525 2HG MET 66 1HG MET 66 8.297 15.813 -5.501
526 1HE MET 66 3HE MET 66 11.272 15.513 -7.991
527 2HE MET 66 2HE MET 66 10.938 17.243 -7.737
528 3HE MET 66 1HE MET 66 12.443 16.529 -7.179
529 H SER 67 H SER 67 7.014 13.629 -9.614
530 HA SER 67 HA SER 67 6.236 16.495 -9.945
531 1HB SER 67 2HB SER 67 7.941 15.529 -11.471
532 2HB SER 67 1HB SER 67 6.682 14.482 -12.158
533 HG SER 67 HG SER 67 5.819 16.220 -13.111
534 HA PRO 68 HA PRO 68 1.874 15.662 -9.996
535 1HB PRO 68 2HB PRO 68 0.987 17.952 -11.235
536 2HB PRO 68 1HB PRO 68 1.599 17.941 -9.578
537 1HG PRO 68 2HG PRO 68 3.195 18.466 -12.160
538 2HG PRO 68 1HG PRO 68 3.060 19.553 -10.771
539 1HD PRO 68 2HD PRO 68 5.166 17.962 -10.902
540 2HD PRO 68 1HD PRO 68 4.304 17.980 -9.340
541 H GLY 69 H GLY 69 2.119 13.799 -11.362
542 1HA GLY 69 2HA GLY 69 0.511 12.988 -13.233
543 2HA GLY 69 1HA GLY 69 1.263 14.222 -14.243
544 H GLN 70 H GLN 70 2.571 12.036 -11.978
545 HA GLN 70 HA GLN 70 4.438 10.817 -13.950
546 1HB GLN 70 2HB GLN 70 5.317 12.216 -11.986
547 2HB GLN 70 1HB GLN 70 4.633 11.030 -10.908
548 1HG GLN 70 2HG GLN 70 6.079 9.245 -12.166
549 2HG GLN 70 1HG GLN 70 6.908 10.590 -12.925
550 1HE2 GLN 70 2HE2 GLN 70 8.483 9.293 -9.714
551 2HE2 GLN 70 1HE2 GLN 70 7.672 8.463 -10.934
552 H SER 71 H SER 71 3.249 9.152 -14.667
553 HA SER 71 HA SER 71 2.134 7.078 -12.799
554 1HB SER 71 2HB SER 71 0.749 6.417 -14.810
555 2HB SER 71 1HB SER 71 0.479 8.086 -14.299
556 HG SER 71 HG SER 71 2.434 7.271 -16.216
557 H THR 72 H THR 72 3.286 5.340 -12.606
558 HA THR 72 HA THR 72 5.140 4.462 -14.838
559 HB THR 72 HB THR 72 6.333 5.229 -12.960
560 HG1 THR 72 HG1 THR 72 6.394 2.372 -12.976
561 1HG2 THR 72 3HG2 THR 72 4.756 4.596 -11.099
562 2HG2 THR 72 2HG2 THR 72 5.126 2.900 -11.370
563 3HG2 THR 72 1HG2 THR 72 6.392 4.002 -10.869
564 H SER 73 H SER 73 3.200 3.202 -15.718
565 HA SER 73 HA SER 73 2.081 0.887 -14.529
566 1HB SER 73 2HB SER 73 1.701 0.102 -16.916
567 2HB SER 73 1HB SER 73 1.365 1.826 -16.779
568 HG SER 73 HG SER 73 4.027 0.992 -17.296
569 H THR 74 H THR 74 3.060 -0.585 -13.483
570 HA THR 74 HA THR 74 5.527 -1.912 -14.585
571 HB THR 74 HB THR 74 4.797 -1.632 -11.605
572 HG1 THR 74 HG1 THR 74 5.331 0.336 -12.830
573 1HG2 THR 74 2HG2 THR 74 7.436 -2.117 -13.069
574 2HG2 THR 74 1HG2 THR 74 7.166 -2.091 -11.341
575 3HG2 THR 74 3HG2 THR 74 6.560 -3.437 -12.290
576 H THR 75 H THR 75 5.789 -4.157 -14.315
577 HA THR 75 HA THR 75 3.260 -5.750 -13.891
578 HB THR 75 HB THR 75 5.615 -6.479 -15.671
579 HG1 THR 75 HG1 THR 75 3.735 -6.281 -17.125
580 1HG2 THR 75 2HG2 THR 75 2.781 -7.667 -15.415
581 2HG2 THR 75 1HG2 THR 75 4.034 -8.208 -16.514
582 3HG2 THR 75 3HG2 THR 75 4.200 -8.491 -14.807
583 H PHE 76 H PHE 76 3.295 -7.745 -12.915
584 HA PHE 76 HA PHE 76 5.639 -8.321 -11.122
585 1HB PHE 76 2HB PHE 76 2.659 -8.922 -10.885
586 2HB PHE 76 1HB PHE 76 3.815 -9.491 -9.699
587 HD1 PHE 76 HD1 PHE 76 5.468 -7.538 -8.814
588 HD2 PHE 76 HD2 PHE 76 1.602 -6.913 -10.471
589 HE1 PHE 76 HE1 PHE 76 5.344 -5.369 -7.672
590 HE2 PHE 76 HE2 PHE 76 1.477 -4.740 -9.324
591 HZ PHE 76 HZ PHE 76 3.332 -3.974 -7.930
592 HA PRO 77 HA PRO 77 5.929 -12.391 -13.007
593 1HB PRO 77 2HB PRO 77 6.882 -13.979 -11.014
594 2HB PRO 77 1HB PRO 77 7.852 -12.636 -11.610
595 1HG PRO 77 2HG PRO 77 5.907 -12.610 -9.240
596 2HG PRO 77 1HG PRO 77 7.627 -12.233 -9.198
597 1HD PRO 77 2HD PRO 77 5.823 -10.202 -9.495
598 2HD PRO 77 1HD PRO 77 7.319 -10.163 -10.455
599 H ALA 78 H ALA 78 5.109 -14.773 -12.611
600 HA ALA 78 HA ALA 78 2.226 -14.535 -11.866
601 1HB ALA 78 2HB ALA 78 3.697 -16.492 -13.681
602 2HB ALA 78 1HB ALA 78 1.960 -16.465 -13.413
603 3HB ALA 78 3HB ALA 78 2.737 -15.100 -14.185
604 H ASP 79 H ASP 79 4.480 -15.338 -9.983
605 HA ASP 79 HA ASP 79 3.261 -17.830 -8.867
606 1HB ASP 79 2HB ASP 79 5.572 -18.192 -7.957
607 2HB ASP 79 1HB ASP 79 5.723 -17.788 -9.655
608 H ALA 80 H ALA 80 4.835 -14.909 -7.905
609 HA ALA 80 HA ALA 80 4.867 -13.914 -5.682
610 1HB ALA 80 1HB ALA 80 4.237 -12.491 -7.580
611 2HB ALA 80 3HB ALA 80 2.568 -13.015 -7.415
612 3HB ALA 80 2HB ALA 80 3.291 -12.008 -6.164
613 HA PRO 81 HA PRO 81 2.219 -17.425 -4.222
614 1HB PRO 81 2HB PRO 81 3.201 -15.913 -1.777
615 2HB PRO 81 1HB PRO 81 2.766 -17.627 -1.847
616 1HG PRO 81 2HG PRO 81 5.362 -16.961 -2.360
617 2HG PRO 81 1HG PRO 81 4.581 -18.110 -3.447
618 1HD PRO 81 2HD PRO 81 5.339 -15.272 -4.013
619 2HD PRO 81 1HD PRO 81 5.004 -16.570 -5.177
620 H ALA 82 H ALA 82 0.723 -16.127 -5.338
621 HA ALA 82 HA ALA 82 -1.198 -14.580 -5.376
622 1HB ALA 82 2HB ALA 82 -1.896 -17.455 -4.645
623 2HB ALA 82 1HB ALA 82 -3.016 -16.349 -5.426
624 3HB ALA 82 3HB ALA 82 -1.551 -16.843 -6.263
625 H GLY 83 H GLY 83 -0.403 -13.751 -3.040
626 1HA GLY 83 2HA GLY 83 -2.918 -13.688 -1.339
627 2HA GLY 83 1HA GLY 83 -1.329 -13.664 -0.619
628 H GLU 84 H GLU 84 -2.899 -11.965 0.308
629 HA GLU 84 HA GLU 84 -3.065 -9.376 -0.988
630 1HB GLU 84 2HB GLU 84 -3.450 -10.227 1.919
631 2HB GLU 84 1HB GLU 84 -3.846 -8.643 1.285
632 1HG GLU 84 2HG GLU 84 -5.128 -11.181 0.179
633 2HG GLU 84 1HG GLU 84 -5.843 -10.215 1.437
634 H TYR 85 H TYR 85 -0.900 -8.859 -1.550
635 HA TYR 85 HA TYR 85 1.217 -8.577 0.461
636 1HB TYR 85 2HB TYR 85 0.884 -7.629 -2.417
637 2HB TYR 85 1HB TYR 85 2.372 -7.352 -1.504
638 HD1 TYR 85 HD1 TYR 85 3.596 -9.285 -0.530
639 HD2 TYR 85 HD2 TYR 85 0.360 -9.832 -3.235
640 HE1 TYR 85 HE1 TYR 85 4.279 -11.640 -0.905
641 HE2 TYR 85 HE2 TYR 85 1.062 -12.164 -3.591
642 HH TYR 85 HH TYR 85 2.444 -13.725 -3.031
643 H THR 86 H THR 86 2.360 -6.237 0.441
644 HA THR 86 HA THR 86 0.412 -4.037 0.803
645 HB THR 86 HB THR 86 2.053 -5.024 3.217
646 HG1 THR 86 HG1 THR 86 -0.391 -5.223 2.036
647 1HG2 THR 86 1HG2 THR 86 -0.202 -2.944 2.907
648 2HG2 THR 86 3HG2 THR 86 0.690 -3.313 4.371
649 3HG2 THR 86 2HG2 THR 86 1.460 -2.417 3.073
650 H PHE 87 H PHE 87 1.162 -2.455 -0.250
651 HA PHE 87 HA PHE 87 4.015 -1.820 -0.089
652 1HB PHE 87 2HB PHE 87 2.972 -0.205 -2.137
653 2HB PHE 87 1HB PHE 87 3.873 -1.671 -2.363
654 HD1 PHE 87 HD2 PHE 87 2.617 -3.849 -2.484
655 HD2 PHE 87 HD1 PHE 87 0.691 -0.076 -2.649
656 HE1 PHE 87 HE2 PHE 87 0.680 -4.916 -3.463
657 HE2 PHE 87 HE1 PHE 87 -1.283 -1.119 -3.646
658 HZ PHE 87 HZ PHE 87 -1.324 -3.536 -4.069
659 H TYR 88 H TYR 88 4.593 -0.087 1.015
660 HA TYR 88 HA TYR 88 2.606 2.007 1.642
661 1HB TYR 88 2HB TYR 88 4.094 2.321 3.730
662 2HB TYR 88 1HB TYR 88 3.069 0.903 3.620
663 HD1 TYR 88 HD2 TYR 88 3.970 -1.265 3.185
664 HD2 TYR 88 HD1 TYR 88 6.563 2.093 3.444
665 HE1 TYR 88 HE2 TYR 88 5.894 -2.761 3.359
666 HE2 TYR 88 HE1 TYR 88 8.487 0.567 3.628
667 HH TYR 88 HH TYR 88 8.227 -2.764 3.015
668 H CYS 89 H CYS 89 3.094 4.140 1.502
669 HA CYS 89 HA CYS 89 5.257 4.983 -0.247
670 1HB CYS 89 2HB CYS 89 2.943 5.811 -0.314
671 2HB CYS 89 1HB CYS 89 3.219 6.550 1.248
672 H GLU 90 H GLU 90 7.085 4.434 1.139
673 HA GLU 90 HA GLU 90 8.293 4.861 3.315
674 1HB GLU 90 2HB GLU 90 9.117 6.271 0.814
675 2HB GLU 90 1HB GLU 90 10.166 6.310 2.227
676 1HG GLU 90 2HG GLU 90 9.948 3.671 2.041
677 2HG GLU 90 1HG GLU 90 9.300 4.010 0.446
678 HA PRO 91 HA PRO 91 8.628 9.347 4.617
679 1HB PRO 91 2HB PRO 91 8.485 11.452 3.018
680 2HB PRO 91 1HB PRO 91 9.753 10.251 2.710
681 1HG PRO 91 2HG PRO 91 6.956 10.336 1.405
682 2HG PRO 91 1HG PRO 91 8.514 10.400 0.590
683 1HD PRO 91 2HD PRO 91 7.255 7.988 0.959
684 2HD PRO 91 1HD PRO 91 9.026 8.176 1.061
685 H HIS 92 HN HIP 92 5.798 8.456 3.172
686 HA HIS 92 HA HIP 92 4.164 10.506 4.619
687 1HB HIS 92 2HB HIP 92 3.548 8.796 2.207
688 2HB HIS 92 1HB HIP 92 2.438 9.960 2.910
689 HD2 HIS 92 HD2 HIP 92 5.056 12.306 3.274
690 HE1 HIS 92 HE1 HIP 92 4.699 12.141 -0.884
691 HE2 HIS 92 HE2 HIP 92 5.547 13.399 0.998
692 H ARG 93 H ARG 93 4.549 9.197 6.503
693 HA ARG 93 HA ARG 93 2.794 6.777 6.730
694 1HB ARG 93 2HB ARG 93 4.921 8.012 8.546
695 2HB ARG 93 1HB ARG 93 3.989 6.603 9.016
696 1HG ARG 93 2HG ARG 93 4.808 5.387 6.938
697 2HG ARG 93 1HG ARG 93 5.783 6.772 6.521
698 1HD ARG 93 2HD ARG 93 6.069 5.366 9.211
699 2HD ARG 93 1HD ARG 93 6.967 4.855 7.781
700 HE ARG 93 HE ARG 93 7.093 7.752 8.683
701 1HH1 ARG 93 2HH1 ARG 93 8.514 6.840 6.398
702 2HH1 ARG 93 1HH1 ARG 93 10.122 6.657 6.969
703 1HH2 ARG 93 1HH2 ARG 93 8.864 6.597 10.207
704 2HH2 ARG 93 2HH2 ARG 93 10.349 6.503 9.317
705 H GLY 94 H GLY 94 1.247 6.712 8.569
706 1HA GLY 94 2HA GLY 94 -0.327 7.782 10.119
707 2HA GLY 94 1HA GLY 94 0.440 9.339 9.775
708 H ALA 95 H ALA 95 0.314 9.734 7.312
709 HA ALA 95 HA ALA 95 -2.528 10.102 6.643
710 1HB ALA 95 3HB ALA 95 0.066 10.920 5.239
711 2HB ALA 95 2HB ALA 95 -1.528 11.500 4.803
712 3HB ALA 95 1HB ALA 95 -0.837 11.924 6.365
713 H GLY 96 H GLY 96 -2.628 7.812 6.641
714 1HA GLY 96 2HA GLY 96 -2.396 5.574 5.608
715 2HA GLY 96 1HA GLY 96 -3.808 6.335 4.953
716 H MET 97 H MET 97 -0.446 6.730 3.973
717 HA MET 97 HA MET 97 -1.298 6.192 1.182
718 1HB MET 97 2HB MET 97 1.433 6.893 2.341
719 2HB MET 97 1HB MET 97 1.097 6.747 0.619
720 1HG MET 97 2HG MET 97 -0.869 8.516 1.441
721 2HG MET 97 1HG MET 97 0.429 8.920 2.500
722 1HE MET 97 2HE MET 97 -1.316 9.451 -0.539
723 2HE MET 97 1HE MET 97 -0.230 10.074 -1.750
724 3HE MET 97 3HE MET 97 -0.267 8.338 -1.438
725 H VAL 98 H VAL 98 -1.784 4.009 2.386
726 HA VAL 98 HA VAL 98 0.357 1.994 1.699
727 HB VAL 98 HB VAL 98 -1.743 1.733 3.776
728 1HG1 VAL 98 1HG1 VAL 98 0.644 -0.020 2.991
729 2HG1 VAL 98 3HG1 VAL 98 -0.380 -0.280 4.395
730 3HG1 VAL 98 2HG1 VAL 98 -1.042 -0.455 2.784
731 1HG2 VAL 98 2HG2 VAL 98 1.280 2.216 3.912
732 2HG2 VAL 98 1HG2 VAL 98 0.051 3.385 4.347
733 3HG2 VAL 98 3HG2 VAL 98 0.242 1.924 5.299
734 H GLY 99 H GLY 99 -0.167 0.360 0.274
735 1HA GLY 99 2HA GLY 99 -3.048 -0.232 -0.427
736 2HA GLY 99 1HA GLY 99 -1.854 -0.054 -1.687
737 H LYS 100 H LYS 100 -3.504 -2.270 -1.323
738 HA LYS 100 HA LYS 100 -1.529 -4.458 -0.850
739 1HB LYS 100 2HB LYS 100 -4.463 -4.409 -0.081
740 2HB LYS 100 1HB LYS 100 -3.544 -5.886 -0.146
741 1HG LYS 100 2HG LYS 100 -1.938 -4.633 1.591
742 2HG LYS 100 1HG LYS 100 -3.287 -3.560 1.769
743 1HD LYS 100 2HD LYS 100 -4.607 -5.071 2.879
744 2HD LYS 100 1HD LYS 100 -4.275 -6.364 1.771
745 1HE LYS 100 2HE LYS 100 -2.581 -5.581 4.177
746 2HE LYS 100 1HE LYS 100 -3.592 -7.022 4.007
747 1HZ LYS 100 2HZ LYS 100 -1.881 -6.827 1.753
748 2HZ LYS 100 1HZ LYS 100 -0.928 -6.700 3.112
749 3HZ LYS 100 3HZ LYS 100 -1.877 -8.057 2.872
750 H ILE 101 H ILE 101 -1.206 -5.784 -2.498
751 HA ILE 101 HA ILE 101 -3.270 -6.003 -4.667
752 HB ILE 101 HB ILE 101 -0.624 -5.274 -5.124
753 1HG1 ILE 101 2HG1 ILE 101 -2.565 -6.882 -6.809
754 2HG1 ILE 101 1HG1 ILE 101 -2.233 -5.168 -6.869
755 1HG2 ILE 101 3HG2 ILE 101 0.227 -7.597 -4.337
756 2HG2 ILE 101 2HG2 ILE 101 -0.692 -8.294 -5.658
757 3HG2 ILE 101 1HG2 ILE 101 0.647 -7.219 -5.987
758 1HD1 ILE 101 3HD1 ILE 101 0.123 -5.689 -7.743
759 2HD1 ILE 101 2HD1 ILE 101 -0.302 -7.381 -7.797
760 3HD1 ILE 101 1HD1 ILE 101 -1.112 -6.261 -8.832
761 H THR 102 H THR 102 -4.037 -7.978 -5.113
762 HA THR 102 HA THR 102 -3.081 -10.381 -3.549
763 HB THR 102 HB THR 102 -5.696 -10.601 -5.023
764 HG1 THR 102 HG1 THR 102 -5.389 -9.305 -2.546
765 1HG2 THR 102 3HG2 THR 102 -4.907 -11.105 -2.118
766 2HG2 THR 102 2HG2 THR 102 -6.376 -11.625 -2.901
767 3HG2 THR 102 1HG2 THR 102 -4.836 -12.338 -3.357
768 H VAL 103 H VAL 103 -1.626 -11.431 -4.970
769 HA VAL 103 HA VAL 103 -2.203 -11.247 -7.898
770 HB VAL 103 HB VAL 103 0.024 -12.763 -6.486
771 1HG1 VAL 103 1HG1 VAL 103 -0.214 -11.510 -9.271
772 2HG1 VAL 103 3HG1 VAL 103 1.237 -12.285 -8.692
773 3HG1 VAL 103 2HG1 VAL 103 -0.221 -13.220 -8.906
774 1HG2 VAL 103 1HG2 VAL 103 0.087 -9.815 -7.286
775 2HG2 VAL 103 3HG2 VAL 103 0.138 -10.444 -5.659
776 3HG2 VAL 103 2HG2 VAL 103 1.463 -10.747 -6.750
777 H ALA 104 H ALA 104 -4.263 -12.314 -7.199
778 HA ALA 104 HA ALA 104 -4.112 -15.294 -7.294
779 1HB ALA 104 3HB ALA 104 -6.297 -13.443 -6.304
780 2HB ALA 104 2HB ALA 104 -6.385 -15.194 -6.271
781 3HB ALA 104 1HB ALA 104 -5.174 -14.364 -5.302
782 H GLY 105 HN GLY 105 -6.077 -16.391 -8.217
783 1HA GLY 105 2HA GLY 105 -7.334 -15.245 -10.594
784 2HA GLY 105 1HA GLY 105 -6.215 -16.581 -10.895
No H/Q in entry = 784
Start of MODEL 2
1 1H GLU 1 1H GLU 1 -4.625 -6.205 -13.968
2 2H GLU 1 3H GLU 1 -5.747 -7.031 -14.943
3 3H GLU 1 2H GLU 1 -4.291 -7.752 -14.509
4 HA GLU 1 HA GLU 1 -3.232 -6.862 -16.276
5 1HB GLU 1 2HB GLU 1 -6.016 -5.833 -16.974
6 2HB GLU 1 1HB GLU 1 -4.672 -5.955 -18.085
7 1HG GLU 1 2HG GLU 1 -6.424 -8.182 -17.051
8 2HG GLU 1 1HG GLU 1 -5.550 -8.070 -18.560
9 H THR 2 H THR 2 -2.843 -4.716 -17.548
10 HA THR 2 HA THR 2 -1.729 -2.760 -15.991
11 HB THR 2 HB THR 2 -2.954 -2.240 -18.786
12 HG1 THR 2 HG1 THR 2 -0.622 -3.261 -19.058
13 1HG2 THR 2 3HG2 THR 2 -0.159 -1.673 -17.625
14 2HG2 THR 2 2HG2 THR 2 -0.786 -1.114 -19.168
15 3HG2 THR 2 1HG2 THR 2 -1.422 -0.469 -17.671
16 H TYR 3 H TYR 3 -3.172 -2.414 -14.365
17 HA TYR 3 HA TYR 3 -5.325 -0.396 -15.000
18 1HB TYR 3 2HB TYR 3 -4.829 -1.712 -12.272
19 2HB TYR 3 1HB TYR 3 -6.292 -0.915 -12.811
20 HD1 TYR 3 HD1 TYR 3 -6.849 -2.138 -15.414
21 HD2 TYR 3 HD2 TYR 3 -5.381 -3.956 -11.855
22 HE1 TYR 3 HE1 TYR 3 -7.781 -4.317 -16.114
23 HE2 TYR 3 HE2 TYR 3 -6.330 -6.103 -12.569
24 HH TYR 3 HH TYR 3 -8.545 -6.486 -14.806
25 H THR 4 H THR 4 -4.912 1.704 -14.609
26 HA THR 4 HA THR 4 -2.391 2.453 -13.216
27 HB THR 4 HB THR 4 -4.309 4.311 -14.700
28 HG1 THR 4 HG1 THR 4 -1.845 3.382 -15.648
29 1HG2 THR 4 2HG2 THR 4 -1.278 4.393 -14.113
30 2HG2 THR 4 1HG2 THR 4 -2.226 5.639 -14.917
31 3HG2 THR 4 3HG2 THR 4 -2.432 5.334 -13.197
32 H VAL 5 H VAL 5 -2.868 2.006 -11.247
33 HA VAL 5 HA VAL 5 -4.939 3.127 -9.563
34 HB VAL 5 HB VAL 5 -2.223 1.891 -8.923
35 1HG1 VAL 5 2HG1 VAL 5 -3.287 2.956 -6.920
36 2HG1 VAL 5 1HG1 VAL 5 -4.735 1.992 -7.203
37 3HG1 VAL 5 3HG1 VAL 5 -3.237 1.213 -6.778
38 1HG2 VAL 5 3HG2 VAL 5 -3.615 0.366 -10.315
39 2HG2 VAL 5 2HG2 VAL 5 -3.462 -0.257 -8.685
40 3HG2 VAL 5 1HG2 VAL 5 -4.951 0.531 -9.188
41 H LYS 6 H LYS 6 -4.506 4.733 -7.799
42 HA LYS 6 HA LYS 6 -2.223 6.595 -8.487
43 1HB LYS 6 2HB LYS 6 -5.104 7.275 -7.815
44 2HB LYS 6 1HB LYS 6 -3.838 8.474 -7.894
45 1HG LYS 6 2HG LYS 6 -3.380 8.129 -10.180
46 2HG LYS 6 1HG LYS 6 -4.151 6.582 -10.275
47 1HD LYS 6 2HD LYS 6 -6.217 8.384 -9.386
48 2HD LYS 6 1HD LYS 6 -5.346 9.273 -10.618
49 1HE LYS 6 2HE LYS 6 -7.312 7.909 -11.498
50 2HE LYS 6 1HE LYS 6 -5.785 7.500 -12.282
51 1HZ LYS 6 2HZ LYS 6 -5.960 6.071 -9.896
52 2HZ LYS 6 1HZ LYS 6 -7.376 5.740 -10.564
53 3HZ LYS 6 3HZ LYS 6 -5.964 5.366 -11.360
54 H LEU 7 H LEU 7 -1.648 8.132 -7.051
55 HA LEU 7 HA LEU 7 -1.558 7.361 -4.157
56 1HB LEU 7 2HB LEU 7 0.652 9.025 -5.460
57 2HB LEU 7 1HB LEU 7 0.772 7.934 -4.125
58 HG LEU 7 HG LEU 7 0.251 6.828 -6.919
59 1HD1 LEU 7 1HD1 LEU 7 2.302 8.255 -6.988
60 2HD1 LEU 7 3HD1 LEU 7 2.978 7.351 -5.639
61 3HD1 LEU 7 2HD1 LEU 7 2.673 6.567 -7.166
62 1HD2 LEU 7 2HD2 LEU 7 1.633 5.819 -4.411
63 2HD2 LEU 7 1HD2 LEU 7 0.001 5.398 -4.929
64 3HD2 LEU 7 3HD2 LEU 7 1.388 4.900 -5.881
65 H GLY 8 H GLY 8 -3.325 8.817 -3.529
66 1HA GLY 8 2HA GLY 8 -3.272 11.172 -2.474
67 2HA GLY 8 1HA GLY 8 -2.733 11.748 -4.018
68 H SER 9 H SER 9 -5.378 11.380 -2.048
69 HA SER 9 HA SER 9 -7.394 11.459 -4.249
70 1HB SER 9 2HB SER 9 -9.060 11.628 -2.309
71 2HB SER 9 1HB SER 9 -8.064 10.177 -2.226
72 HG SER 9 HG SER 9 -6.749 12.252 -1.053
73 H ASP 10 H ASP 10 -6.331 13.260 -5.032
74 HA ASP 10 HA ASP 10 -5.680 15.562 -5.065
75 1HB ASP 10 2HB ASP 10 -7.146 15.574 -6.907
76 2HB ASP 10 1HB ASP 10 -8.229 14.512 -6.060
77 H LYS 11 H LYS 11 -8.734 15.720 -3.261
78 HA LYS 11 HA LYS 11 -7.721 18.193 -1.859
79 1HB LYS 11 2HB LYS 11 -10.436 17.310 -2.751
80 2HB LYS 11 1HB LYS 11 -10.287 18.523 -1.494
81 1HG LYS 11 2HG LYS 11 -9.044 20.036 -2.897
82 2HG LYS 11 1HG LYS 11 -8.766 18.815 -4.115
83 1HD LYS 11 2HD LYS 11 -11.577 19.798 -3.379
84 2HD LYS 11 1HD LYS 11 -10.627 20.550 -4.659
85 1HE LYS 11 2HE LYS 11 -10.449 18.392 -5.819
86 2HE LYS 11 1HE LYS 11 -11.383 17.590 -4.556
87 1HZ LYS 11 2HZ LYS 11 -12.767 19.893 -5.458
88 2HZ LYS 11 1HZ LYS 11 -12.282 18.956 -6.797
89 3HZ LYS 11 3HZ LYS 11 -13.227 18.253 -5.583
90 H GLY 12 H GLY 12 -8.136 15.049 -0.970
91 1HA GLY 12 2HA GLY 12 -8.780 15.820 1.882
92 2HA GLY 12 1HA GLY 12 -9.312 14.310 1.207
93 H LEU 13 H LEU 13 -7.454 12.735 0.681
94 HA LEU 13 HA LEU 13 -5.170 13.117 2.566
95 1HB LEU 13 2HB LEU 13 -7.428 11.419 2.977
96 2HB LEU 13 1HB LEU 13 -6.150 10.326 2.541
97 HG LEU 13 HG LEU 13 -6.265 10.550 4.968
98 1HD1 LEU 13 2HD1 LEU 13 -3.963 10.314 4.063
99 2HD1 LEU 13 1HD1 LEU 13 -3.818 12.073 3.965
100 3HD1 LEU 13 3HD1 LEU 13 -3.987 11.286 5.510
101 1HD2 LEU 13 2HD2 LEU 13 -7.305 12.793 5.058
102 2HD2 LEU 13 1HD2 LEU 13 -5.880 12.726 6.076
103 3HD2 LEU 13 3HD2 LEU 13 -5.815 13.536 4.528
104 H LEU 14 H LEU 14 -3.668 11.094 2.388
105 HA LEU 14 HA LEU 14 -2.782 10.966 -0.465
106 1HB LEU 14 2HB LEU 14 -1.340 9.969 2.029
107 2HB LEU 14 1HB LEU 14 -0.637 10.289 0.465
108 HG LEU 14 HG LEU 14 -1.752 12.377 2.391
109 1HD1 LEU 14 3HD1 LEU 14 1.064 11.760 1.391
110 2HD1 LEU 14 2HD1 LEU 14 0.632 13.063 2.478
111 3HD1 LEU 14 1HD1 LEU 14 0.445 11.397 2.994
112 1HD2 LEU 14 3HD2 LEU 14 -0.423 12.725 -0.340
113 2HD2 LEU 14 2HD2 LEU 14 -2.120 13.028 -0.011
114 3HD2 LEU 14 1HD2 LEU 14 -0.894 14.011 0.753
115 H VAL 15 H VAL 15 -5.033 9.582 -0.131
116 HA VAL 15 HA VAL 15 -4.329 6.757 0.468
117 HB VAL 15 HB VAL 15 -6.402 7.804 1.380
118 1HG1 VAL 15 1HG1 VAL 15 -7.277 7.968 -1.536
119 2HG1 VAL 15 3HG1 VAL 15 -8.304 8.300 -0.159
120 3HG1 VAL 15 2HG1 VAL 15 -6.940 9.338 -0.490
121 1HG2 VAL 15 3HG2 VAL 15 -6.470 5.331 0.969
122 2HG2 VAL 15 2HG2 VAL 15 -8.041 6.082 0.778
123 3HG2 VAL 15 1HG2 VAL 15 -7.134 5.632 -0.636
124 H PHE 16 H PHE 16 -5.256 5.134 -0.879
125 HA PHE 16 HA PHE 16 -4.655 5.484 -3.804
126 1HB PHE 16 2HB PHE 16 -4.527 2.841 -2.292
127 2HB PHE 16 1HB PHE 16 -3.830 3.210 -3.851
128 HD1 PHE 16 HD1 PHE 16 -1.835 4.783 -3.941
129 HD2 PHE 16 HD2 PHE 16 -3.289 3.106 -0.327
130 HE1 PHE 16 HE1 PHE 16 0.330 5.232 -2.848
131 HE2 PHE 16 HE2 PHE 16 -1.159 3.559 0.742
132 HZ PHE 16 HZ PHE 16 0.672 4.614 -0.501
133 H GLU 17 H GLU 17 -5.777 3.864 -5.156
134 HA GLU 17 HA GLU 17 -8.613 3.541 -4.265
135 1HB GLU 17 2HB GLU 17 -9.104 3.642 -6.694
136 2HB GLU 17 1HB GLU 17 -8.045 4.961 -6.260
137 1HG GLU 17 2HG GLU 17 -6.076 3.365 -6.969
138 2HG GLU 17 1HG GLU 17 -7.288 2.419 -7.790
139 HA PRO 18 HA PRO 18 -10.290 1.289 -3.691
140 1HB PRO 18 2HB PRO 18 -10.670 -1.430 -4.400
141 2HB PRO 18 1HB PRO 18 -11.564 -0.056 -5.035
142 1HG PRO 18 2HG PRO 18 -8.996 -1.327 -6.176
143 2HG PRO 18 1HG PRO 18 -10.484 -0.953 -7.060
144 1HD PRO 18 2HD PRO 18 -8.479 0.770 -7.245
145 2HD PRO 18 1HD PRO 18 -10.058 1.479 -6.823
146 H ALA 19 H ALA 19 -7.721 1.352 -2.724
147 HA ALA 19 HA ALA 19 -6.439 0.854 -0.836
148 1HB ALA 19 1HB ALA 19 -8.670 0.824 0.283
149 2HB ALA 19 3HB ALA 19 -8.904 -0.859 -0.135
150 3HB ALA 19 2HB ALA 19 -7.648 -0.403 1.000
151 H LYS 20 H LYS 20 -8.009 -2.075 -1.647
152 HA LYS 20 HA LYS 20 -5.435 -3.625 -1.778
153 1HB LYS 20 2HB LYS 20 -8.177 -4.641 -1.560
154 2HB LYS 20 1HB LYS 20 -6.672 -5.598 -1.580
155 1HG LYS 20 2HG LYS 20 -6.336 -4.853 0.755
156 2HG LYS 20 1HG LYS 20 -7.930 -4.100 0.691
157 1HD LYS 20 2HD LYS 20 -7.229 -7.112 0.297
158 2HD LYS 20 1HD LYS 20 -8.419 -6.455 1.391
159 1HE LYS 20 2HE LYS 20 -9.745 -7.456 -0.352
160 2HE LYS 20 1HE LYS 20 -9.788 -5.753 -0.752
161 1HZ LYS 20 1HZ LYS 20 -7.475 -7.132 -1.860
162 2HZ LYS 20 3HZ LYS 20 -8.866 -7.732 -2.543
163 3HZ LYS 20 2HZ LYS 20 -8.503 -6.130 -2.673
164 H LEU 21 H LEU 21 -5.656 -2.593 -4.358
165 HA LEU 21 HA LEU 21 -7.769 -3.618 -5.990
166 1HB LEU 21 2HB LEU 21 -5.735 -2.054 -6.690
167 2HB LEU 21 1HB LEU 21 -4.909 -3.553 -7.031
168 HG LEU 21 HG LEU 21 -7.454 -2.472 -8.339
169 1HD1 LEU 21 1HD1 LEU 21 -4.799 -3.420 -9.441
170 2HD1 LEU 21 3HD1 LEU 21 -6.159 -2.830 -10.381
171 3HD1 LEU 21 2HD1 LEU 21 -5.323 -1.762 -9.275
172 1HD2 LEU 21 2HD2 LEU 21 -6.414 -5.341 -8.708
173 2HD2 LEU 21 1HD2 LEU 21 -7.973 -4.905 -8.064
174 3HD2 LEU 21 3HD2 LEU 21 -7.599 -4.581 -9.719
175 H THR 22 H THR 22 -8.421 -5.639 -6.166
176 HA THR 22 HA THR 22 -6.556 -7.867 -5.686
177 HB THR 22 HB THR 22 -9.607 -7.754 -6.157
178 HG1 THR 22 HG1 THR 22 -8.612 -9.202 -4.139
179 1HG2 THR 22 2HG2 THR 22 -7.937 -10.281 -5.605
180 2HG2 THR 22 1HG2 THR 22 -9.693 -10.173 -5.657
181 3HG2 THR 22 3HG2 THR 22 -8.754 -9.939 -7.108
182 H ILE 23 H ILE 23 -5.252 -7.303 -7.437
183 HA ILE 23 HA ILE 23 -5.974 -7.453 -10.224
184 HB ILE 23 HB ILE 23 -3.506 -7.310 -10.577
185 1HG1 ILE 23 2HG1 ILE 23 -2.056 -7.259 -8.455
186 2HG1 ILE 23 1HG1 ILE 23 -3.285 -8.292 -7.758
187 1HG2 ILE 23 1HG2 ILE 23 -4.718 -5.365 -9.947
188 2HG2 ILE 23 3HG2 ILE 23 -4.422 -5.673 -8.233
189 3HG2 ILE 23 2HG2 ILE 23 -3.096 -5.314 -9.318
190 1HD1 ILE 23 1HD1 ILE 23 -1.843 -8.739 -10.409
191 2HD1 ILE 23 3HD1 ILE 23 -1.337 -9.497 -8.938
192 3HD1 ILE 23 2HD1 ILE 23 -2.895 -9.897 -9.613
193 H LYS 24 H LYS 24 -4.652 -9.375 -11.781
194 HA LYS 24 HA LYS 24 -5.397 -11.745 -10.262
195 1HB LYS 24 2HB LYS 24 -5.889 -12.646 -12.600
196 2HB LYS 24 1HB LYS 24 -6.786 -11.202 -12.210
197 1HG LYS 24 2HG LYS 24 -5.925 -10.832 -14.436
198 2HG LYS 24 1HG LYS 24 -4.939 -9.825 -13.422
199 1HD LYS 24 2HD LYS 24 -3.748 -12.416 -13.383
200 2HD LYS 24 1HD LYS 24 -4.246 -12.070 -15.025
201 1HE LYS 24 2HE LYS 24 -2.706 -9.908 -13.760
202 2HE LYS 24 1HE LYS 24 -1.849 -11.419 -13.890
203 1HZ LYS 24 2HZ LYS 24 -3.214 -10.969 -16.353
204 2HZ LYS 24 1HZ LYS 24 -2.518 -9.605 -15.973
205 3HZ LYS 24 3HZ LYS 24 -1.502 -10.938 -16.063
206 HA PRO 25 HA PRO 25 -1.205 -13.142 -9.955
207 1HB PRO 25 2HB PRO 25 -1.099 -15.480 -11.534
208 2HB PRO 25 1HB PRO 25 -1.593 -15.359 -9.849
209 1HG PRO 25 2HG PRO 25 -3.414 -15.200 -12.321
210 2HG PRO 25 1HG PRO 25 -3.607 -16.214 -10.881
211 1HD PRO 25 2HD PRO 25 -4.999 -13.975 -10.885
212 2HD PRO 25 1HD PRO 25 -3.989 -14.293 -9.458
213 H GLY 26 H GLY 26 -0.664 -11.039 -11.256
214 1HA GLY 26 2HA GLY 26 1.492 -10.637 -12.440
215 2HA GLY 26 1HA GLY 26 1.145 -11.919 -13.526
216 H ASP 27 H ASP 27 0.193 -8.572 -12.767
217 HA ASP 27 HA ASP 27 -0.133 -8.145 -15.700
218 1HB ASP 27 2HB ASP 27 -1.954 -6.428 -14.780
219 2HB ASP 27 1HB ASP 27 -2.394 -8.131 -14.986
220 H THR 28 H THR 28 -0.456 -5.558 -15.979
221 HA THR 28 HA THR 28 1.977 -4.325 -14.863
222 HB THR 28 HB THR 28 0.549 -3.857 -17.466
223 HG1 THR 28 HG1 THR 28 3.159 -4.557 -16.636
224 1HG2 THR 28 3HG2 THR 28 3.193 -2.626 -16.443
225 2HG2 THR 28 2HG2 THR 28 2.525 -2.451 -18.041
226 3HG2 THR 28 1HG2 THR 28 1.786 -1.662 -16.678
227 H VAL 29 H VAL 29 0.066 -4.169 -13.327
228 HA VAL 29 HA VAL 29 -1.611 -1.822 -13.352
229 HB VAL 29 HB VAL 29 -0.461 -3.386 -10.980
230 1HG1 VAL 29 2HG1 VAL 29 -1.409 -1.096 -10.327
231 2HG1 VAL 29 1HG1 VAL 29 -2.900 -1.536 -11.122
232 3HG1 VAL 29 3HG1 VAL 29 -2.370 -2.427 -9.708
233 1HG2 VAL 29 1HG2 VAL 29 -1.866 -4.677 -12.623
234 2HG2 VAL 29 3HG2 VAL 29 -2.675 -4.520 -11.098
235 3HG2 VAL 29 2HG2 VAL 29 -3.157 -3.509 -12.443
236 H GLU 30 H GLU 30 -1.075 0.216 -13.320
237 HA GLU 30 HA GLU 30 1.593 1.148 -12.568
238 1HB GLU 30 2HB GLU 30 -0.592 2.185 -14.367
239 2HB GLU 30 1HB GLU 30 0.787 3.185 -13.944
240 1HG GLU 30 2HG GLU 30 1.048 0.392 -15.190
241 2HG GLU 30 1HG GLU 30 1.115 1.864 -16.126
242 H PHE 31 H PHE 31 2.004 2.665 -11.087
243 HA PHE 31 HA PHE 31 -0.283 3.751 -9.448
244 1HB PHE 31 2HB PHE 31 2.473 2.864 -8.717
245 2HB PHE 31 1HB PHE 31 1.551 3.875 -7.629
246 HD1 PHE 31 HD1 PHE 31 1.352 0.719 -9.604
247 HD2 PHE 31 HD2 PHE 31 0.003 2.824 -6.181
248 HE1 PHE 31 HE1 PHE 31 0.206 -1.302 -8.830
249 HE2 PHE 31 HE2 PHE 31 -1.153 0.802 -5.396
250 HZ PHE 31 HZ PHE 31 -1.060 -1.264 -6.721
251 H LEU 32 H LEU 32 -0.635 5.757 -10.244
252 HA LEU 32 HA LEU 32 1.556 7.651 -10.733
253 1HB LEU 32 2HB LEU 32 -0.174 7.180 -12.461
254 2HB LEU 32 1HB LEU 32 -1.392 7.811 -11.393
255 HG LEU 32 HG LEU 32 0.915 9.648 -12.154
256 1HD1 LEU 32 2HD1 LEU 32 -1.639 9.118 -13.755
257 2HD1 LEU 32 1HD1 LEU 32 -0.436 10.348 -14.099
258 3HD1 LEU 32 3HD1 LEU 32 -0.029 8.653 -14.278
259 1HD2 LEU 32 2HD2 LEU 32 -2.070 10.105 -11.662
260 2HD2 LEU 32 1HD2 LEU 32 -0.836 10.386 -10.452
261 3HD2 LEU 32 3HD2 LEU 32 -0.851 11.336 -11.911
262 H ASN 33 H ASN 33 1.900 9.562 -9.758
263 HA ASN 33 HA ASN 33 0.499 10.034 -7.152
264 1HB ASN 33 2HB ASN 33 2.315 11.680 -6.749
265 2HB ASN 33 1HB ASN 33 2.980 10.088 -7.070
266 1HD2 ASN 33 2HD2 ASN 33 4.440 11.270 -10.044
267 2HD2 ASN 33 1HD2 ASN 33 3.890 9.809 -9.361
268 H ASN 34 H ASN 34 -0.738 11.605 -6.539
269 HA ASN 34 HA ASN 34 -1.237 13.910 -8.380
270 1HB ASN 34 2HB ASN 34 -3.006 12.310 -8.681
271 2HB ASN 34 1HB ASN 34 -3.190 12.061 -6.954
272 1HD2 ASN 34 2HD2 ASN 34 -5.824 14.280 -7.026
273 2HD2 ASN 34 1HD2 ASN 34 -5.183 12.784 -6.508
274 H LYS 35 H LYS 35 0.308 14.868 -6.920
275 HA LYS 35 HA LYS 35 0.590 16.921 -5.707
276 1HB LYS 35 2HB LYS 35 -1.940 16.159 -4.143
277 2HB LYS 35 1HB LYS 35 -1.119 17.691 -4.052
278 1HG LYS 35 2HG LYS 35 -1.644 18.323 -6.298
279 2HG LYS 35 1HG LYS 35 -2.186 16.716 -6.731
280 1HD LYS 35 2HD LYS 35 -3.890 17.016 -4.721
281 2HD LYS 35 1HD LYS 35 -3.550 18.727 -4.900
282 1HE LYS 35 2HE LYS 35 -4.265 18.619 -7.275
283 2HE LYS 35 1HE LYS 35 -4.521 16.880 -7.116
284 1HZ LYS 35 3HZ LYS 35 -5.804 18.151 -4.928
285 2HZ LYS 35 2HZ LYS 35 -6.385 18.873 -6.335
286 3HZ LYS 35 1HZ LYS 35 -6.494 17.268 -6.144
287 H VAL 36 H VAL 36 0.477 17.414 -3.105
288 HA VAL 36 HA VAL 36 2.174 17.185 -1.390
289 HB VAL 36 HB VAL 36 0.142 15.008 -0.891
290 1HG1 VAL 36 1HG1 VAL 36 1.754 16.769 1.037
291 2HG1 VAL 36 3HG1 VAL 36 0.522 15.625 1.520
292 3HG1 VAL 36 2HG1 VAL 36 2.001 15.052 0.787
293 1HG2 VAL 36 3HG2 VAL 36 0.014 18.009 -0.276
294 2HG2 VAL 36 2HG2 VAL 36 -0.974 17.173 -1.467
295 3HG2 VAL 36 1HG2 VAL 36 -1.171 16.823 0.232
296 HA PRO 37 HA PRO 37 4.466 13.583 -3.039
297 1HB PRO 37 2HB PRO 37 6.599 14.835 -4.161
298 2HB PRO 37 1HB PRO 37 4.980 15.071 -4.832
299 1HG PRO 37 2HG PRO 37 6.435 16.798 -2.738
300 2HG PRO 37 1HG PRO 37 5.796 17.339 -4.292
301 1HD PRO 37 2HD PRO 37 4.341 17.526 -1.945
302 2HD PRO 37 1HD PRO 37 3.539 17.257 -3.512
303 HA PRO 38 HA PRO 38 6.433 12.816 -3.918
304 1HB PRO 38 2HB PRO 38 8.774 11.656 -4.044
305 2HB PRO 38 1HB PRO 38 8.731 13.402 -3.843
306 1HG PRO 38 2HG PRO 38 9.110 11.301 -1.619
307 2HG PRO 38 1HG PRO 38 10.097 12.730 -1.932
308 1HD PRO 38 2HD PRO 38 7.923 12.673 -0.122
309 2HD PRO 38 1HD PRO 38 8.561 14.160 -0.852
310 H HIS 39 HN HIP 39 5.749 10.762 -4.618
311 HA HIS 39 HA HIP 39 5.249 8.853 -2.356
312 1HB HIS 39 2HB HIP 39 3.651 9.122 -4.898
313 2HB HIS 39 1HB HIP 39 3.232 8.103 -3.529
314 HD2 HIS 39 HD2 HIP 39 2.863 11.546 -4.916
315 HE1 HIS 39 HE1 HIP 39 1.506 11.892 -1.008
316 HE2 HIS 39 HE2 HIP 39 1.692 12.953 -3.204
317 H ASN 40 H ASN 40 7.337 7.976 -2.719
318 HA ASN 40 HA ASN 40 7.608 6.053 -4.997
319 1HB ASN 40 2HB ASN 40 9.633 7.366 -4.246
320 2HB ASN 40 1HB ASN 40 9.387 6.753 -2.616
321 1HD2 ASN 40 2HD2 ASN 40 11.327 3.928 -3.348
322 2HD2 ASN 40 1HD2 ASN 40 10.760 5.005 -2.158
323 H VAL 41 H VAL 41 6.778 3.994 -4.697
324 HA VAL 41 HA VAL 41 6.149 3.268 -1.856
325 HB VAL 41 HB VAL 41 4.730 1.521 -2.726
326 1HG1 VAL 41 3HG1 VAL 41 3.776 3.751 -2.174
327 2HG1 VAL 41 2HG1 VAL 41 4.134 4.338 -3.790
328 3HG1 VAL 41 1HG1 VAL 41 2.916 3.097 -3.557
329 1HG2 VAL 41 3HG2 VAL 41 5.717 1.196 -5.023
330 2HG2 VAL 41 2HG2 VAL 41 4.018 1.593 -5.156
331 3HG2 VAL 41 1HG2 VAL 41 5.225 2.820 -5.472
332 H VAL 42 H VAL 42 7.065 1.894 -0.856
333 HA VAL 42 HA VAL 42 8.946 -0.017 -2.127
334 HB VAL 42 HB VAL 42 9.915 0.059 0.398
335 1HG1 VAL 42 1HG1 VAL 42 10.053 2.525 -1.458
336 2HG1 VAL 42 3HG1 VAL 42 11.225 2.113 -0.232
337 3HG1 VAL 42 2HG1 VAL 42 11.077 1.137 -1.666
338 1HG2 VAL 42 2HG2 VAL 42 7.894 1.427 1.138
339 2HG2 VAL 42 1HG2 VAL 42 9.448 2.202 1.480
340 3HG2 VAL 42 3HG2 VAL 42 8.460 2.733 0.137
341 H PHE 43 H PHE 43 8.659 -2.265 -1.554
342 HA PHE 43 HA PHE 43 6.003 -2.886 -0.492
343 1HB PHE 43 2HB PHE 43 8.132 -4.362 -2.010
344 2HB PHE 43 1HB PHE 43 6.992 -5.323 -1.106
345 HD1 PHE 43 HD2 PHE 43 6.904 -2.303 -3.399
346 HD2 PHE 43 HD1 PHE 43 5.128 -6.003 -2.298
347 HE1 PHE 43 HE2 PHE 43 5.274 -2.054 -5.209
348 HE2 PHE 43 HE1 PHE 43 3.489 -5.749 -4.120
349 HZ PHE 43 HZ PHE 43 3.566 -3.767 -5.574
350 H ASP 44 H ASP 44 5.686 -4.495 1.050
351 HA ASP 44 HA ASP 44 7.547 -4.205 3.346
352 1HB ASP 44 2HB ASP 44 4.914 -3.712 3.206
353 2HB ASP 44 1HB ASP 44 4.792 -5.432 3.543
354 H ALA 45 H ALA 45 7.950 -5.747 4.750
355 HA ALA 45 HA ALA 45 8.636 -8.384 3.652
356 1HB ALA 45 1HB ALA 45 10.468 -6.930 4.327
357 2HB ALA 45 3HB ALA 45 9.786 -6.788 5.942
358 3HB ALA 45 2HB ALA 45 10.411 -8.337 5.383
359 H ALA 46 H ALA 46 6.745 -6.989 6.120
360 HA ALA 46 HA ALA 46 6.297 -9.625 7.465
361 1HB ALA 46 3HB ALA 46 5.720 -6.744 8.334
362 2HB ALA 46 2HB ALA 46 5.414 -8.169 9.320
363 3HB ALA 46 1HB ALA 46 7.062 -7.731 8.892
364 H LEU 47 H LEU 47 4.774 -7.020 5.775
365 HA LEU 47 HA LEU 47 2.101 -8.382 5.925
366 1HB LEU 47 2HB LEU 47 2.758 -5.651 4.762
367 2HB LEU 47 1HB LEU 47 1.205 -6.227 5.346
368 HG LEU 47 HG LEU 47 3.671 -5.728 7.089
369 1HD1 LEU 47 3HD1 LEU 47 2.708 -3.700 6.116
370 2HD1 LEU 47 2HD1 LEU 47 1.113 -4.144 6.722
371 3HD1 LEU 47 1HD1 LEU 47 2.421 -3.784 7.848
372 1HD2 LEU 47 2HD2 LEU 47 0.751 -6.311 7.814
373 2HD2 LEU 47 1HD2 LEU 47 2.071 -7.452 8.012
374 3HD2 LEU 47 3HD2 LEU 47 2.043 -5.970 8.948
375 H ASN 48 H ASN 48 4.000 -9.706 4.319
376 HA ASN 48 HA ASN 48 2.875 -9.285 1.558
377 1HB ASN 48 2HB ASN 48 5.151 -9.806 0.657
378 2HB ASN 48 1HB ASN 48 5.326 -8.671 1.960
379 1HD2 ASN 48 2HD2 ASN 48 7.707 -10.629 3.388
380 2HD2 ASN 48 1HD2 ASN 48 7.148 -9.105 2.860
381 HA PRO 49 HA PRO 49 1.234 -13.356 1.434
382 1HB PRO 49 2HB PRO 49 2.679 -14.930 -0.373
383 2HB PRO 49 1HB PRO 49 1.476 -13.729 -0.836
384 1HG PRO 49 2HG PRO 49 4.514 -13.242 -0.538
385 2HG PRO 49 1HG PRO 49 3.501 -12.929 -1.957
386 1HD PRO 49 2HD PRO 49 3.912 -10.879 -0.350
387 2HD PRO 49 1HD PRO 49 2.228 -11.235 -0.741
388 H ALA 50 H ALA 50 4.420 -14.574 0.955
389 HA ALA 50 HA ALA 50 4.282 -16.271 3.402
390 1HB ALA 50 1HB ALA 50 4.727 -17.308 1.212
391 2HB ALA 50 3HB ALA 50 6.154 -16.295 0.997
392 3HB ALA 50 2HB ALA 50 6.122 -17.494 2.274
393 H LYS 51 H LYS 51 4.587 -13.888 4.146
394 HA LYS 51 HA LYS 51 6.145 -12.103 4.929
395 1HB LYS 51 2HB LYS 51 5.727 -14.528 6.691
396 2HB LYS 51 1HB LYS 51 6.664 -13.204 7.308
397 1HG LYS 51 2HG LYS 51 4.274 -12.978 7.995
398 2HG LYS 51 1HG LYS 51 4.808 -11.638 7.015
399 1HD LYS 51 2HD LYS 51 3.791 -12.706 5.013
400 2HD LYS 51 1HD LYS 51 3.185 -14.049 5.959
401 1HE LYS 51 2HE LYS 51 1.685 -12.426 7.131
402 2HE LYS 51 1HE LYS 51 2.398 -11.103 6.221
403 1HZ LYS 51 1HZ LYS 51 1.663 -13.087 4.350
404 2HZ LYS 51 3HZ LYS 51 0.287 -12.664 5.310
405 3HZ LYS 51 2HZ LYS 51 1.133 -11.531 4.516
406 H SER 52 H SER 52 7.690 -12.909 3.097
407 HA SER 52 HA SER 52 10.377 -13.528 4.319
408 1HB SER 52 2HB SER 52 9.479 -15.166 2.665
409 2HB SER 52 1HB SER 52 9.717 -13.952 1.387
410 HG SER 52 HG SER 52 11.717 -14.557 1.457
411 H ALA 53 H ALA 53 12.059 -12.836 2.421
412 HA ALA 53 HA ALA 53 11.953 -9.843 2.206
413 1HB ALA 53 1HB ALA 53 14.318 -11.721 2.550
414 2HB ALA 53 3HB ALA 53 14.449 -9.970 2.438
415 3HB ALA 53 2HB ALA 53 13.600 -10.698 3.791
416 H ASP 54 H ASP 54 13.426 -12.511 0.337
417 HA ASP 54 HA ASP 54 14.563 -11.436 -1.816
418 1HB ASP 54 2HB ASP 54 13.496 -13.478 -3.052
419 2HB ASP 54 1HB ASP 54 14.266 -13.843 -1.523
420 H LEU 55 H LEU 55 11.264 -12.255 -2.513
421 HA LEU 55 HA LEU 55 11.046 -10.267 -4.608
422 1HB LEU 55 2HB LEU 55 9.667 -12.318 -4.668
423 2HB LEU 55 1HB LEU 55 8.866 -11.876 -3.180
424 HG LEU 55 HG LEU 55 8.016 -9.760 -4.338
425 1HD1 LEU 55 1HD1 LEU 55 9.167 -11.091 -6.834
426 2HD1 LEU 55 3HD1 LEU 55 8.158 -9.672 -6.821
427 3HD1 LEU 55 2HD1 LEU 55 9.758 -9.596 -6.133
428 1HD2 LEU 55 3HD2 LEU 55 6.586 -11.762 -4.261
429 2HD2 LEU 55 2HD2 LEU 55 6.362 -10.874 -5.761
430 3HD2 LEU 55 1HD2 LEU 55 7.320 -12.337 -5.757
431 H ALA 56 H ALA 56 9.633 -10.459 -1.399
432 HA ALA 56 HA ALA 56 8.146 -8.181 -1.040
433 1HB ALA 56 1HB ALA 56 10.361 -9.203 0.823
434 2HB ALA 56 3HB ALA 56 9.038 -8.187 1.332
435 3HB ALA 56 2HB ALA 56 8.732 -9.824 0.782
436 H LYS 57 H LYS 57 11.644 -8.123 -0.792
437 HA LYS 57 HA LYS 57 11.711 -5.171 -0.903
438 1HB LYS 57 2HB LYS 57 13.407 -6.924 0.307
439 2HB LYS 57 1HB LYS 57 14.119 -7.115 -1.264
440 1HG LYS 57 2HG LYS 57 14.176 -4.751 0.631
441 2HG LYS 57 1HG LYS 57 15.521 -5.464 -0.211
442 1HD LYS 57 2HD LYS 57 13.333 -3.754 -1.421
443 2HD LYS 57 1HD LYS 57 14.902 -3.147 -1.038
444 1HE LYS 57 2HE LYS 57 15.961 -4.187 -2.849
445 2HE LYS 57 1HE LYS 57 14.709 -5.399 -3.056
446 1HZ LYS 57 2HZ LYS 57 13.488 -2.871 -3.205
447 2HZ LYS 57 1HZ LYS 57 14.759 -2.788 -4.296
448 3HZ LYS 57 3HZ LYS 57 13.544 -3.968 -4.415
449 H SER 58 H SER 58 12.717 -7.820 -3.078
450 HA SER 58 HA SER 58 13.645 -6.471 -5.314
451 1HB SER 58 2HB SER 58 12.925 -8.961 -5.192
452 2HB SER 58 1HB SER 58 11.307 -8.375 -5.623
453 HG SER 58 HG SER 58 13.345 -8.649 -7.321
454 H LEU 59 H LEU 59 10.285 -6.833 -4.595
455 HA LEU 59 HA LEU 59 9.083 -5.198 -6.507
456 1HB LEU 59 2HB LEU 59 8.183 -5.966 -3.722
457 2HB LEU 59 1HB LEU 59 7.138 -5.175 -4.894
458 HG LEU 59 HG LEU 59 8.513 -7.846 -5.309
459 1HD1 LEU 59 3HD1 LEU 59 6.645 -7.863 -3.642
460 2HD1 LEU 59 2HD1 LEU 59 5.600 -7.078 -4.816
461 3HD1 LEU 59 1HD1 LEU 59 6.172 -8.706 -5.109
462 1HD2 LEU 59 2HD2 LEU 59 6.449 -6.327 -6.989
463 2HD2 LEU 59 1HD2 LEU 59 8.104 -6.615 -7.466
464 3HD2 LEU 59 3HD2 LEU 59 7.011 -7.953 -7.326
465 H SER 60 H SER 60 10.088 -4.176 -3.171
466 HA SER 60 HA SER 60 8.983 -1.562 -3.303
467 1HB SER 60 2HB SER 60 10.932 -0.873 -1.667
468 2HB SER 60 1HB SER 60 10.350 -2.481 -1.190
469 HG SER 60 HG SER 60 11.765 -2.974 -3.202
470 H HIS 61 H HIS 61 9.358 0.356 -4.276
471 HA HIS 61 HA HIS 61 11.474 0.387 -6.337
472 1HB HIS 61 2HB HIS 61 9.003 0.979 -6.782
473 2HB HIS 61 1HB HIS 61 9.254 2.423 -5.809
474 HD1 HIS 61 HD1 HIS 61 10.927 0.810 -8.703
475 HD2 HIS 61 HD2 HIS 61 10.084 4.541 -7.349
476 HE1 HIS 61 HE1 HIS 61 11.784 2.406 -10.444
477 H LYS 62 H LYS 62 12.465 2.505 -6.720
478 HA LYS 62 HA LYS 62 14.555 3.282 -5.516
479 1HB LYS 62 2HB LYS 62 12.318 5.170 -6.268
480 2HB LYS 62 1HB LYS 62 13.918 5.773 -5.855
481 1HG LYS 62 2HG LYS 62 14.902 4.332 -7.697
482 2HG LYS 62 1HG LYS 62 13.283 3.844 -8.106
483 1HD LYS 62 2HD LYS 62 14.089 5.826 -9.539
484 2HD LYS 62 1HD LYS 62 12.560 6.042 -8.736
485 1HE LYS 62 2HE LYS 62 14.032 8.067 -8.588
486 2HE LYS 62 1HE LYS 62 13.544 7.478 -7.009
487 1HZ LYS 62 2HZ LYS 62 15.850 6.074 -7.916
488 2HZ LYS 62 1HZ LYS 62 16.204 7.727 -7.955
489 3HZ LYS 62 3HZ LYS 62 15.729 6.961 -6.517
490 H GLN 63 H GLN 63 13.045 5.945 -4.356
491 HA GLN 63 HA GLN 63 13.358 5.413 -1.486
492 1HB GLN 63 2HB GLN 63 14.950 7.758 -2.767
493 2HB GLN 63 1HB GLN 63 14.965 7.216 -1.116
494 1HG GLN 63 2HG GLN 63 17.049 6.516 -2.200
495 2HG GLN 63 1HG GLN 63 16.091 5.089 -1.869
496 1HE2 GLN 63 2HE2 GLN 63 16.720 4.071 -5.110
497 2HE2 GLN 63 1HE2 GLN 63 16.734 3.727 -3.445
498 H LEU 64 H LEU 64 13.390 7.945 -3.278
499 HA LEU 64 HA LEU 64 10.721 9.093 -2.468
500 1HB LEU 64 2HB LEU 64 13.235 10.668 -3.230
501 2HB LEU 64 1HB LEU 64 11.741 11.373 -2.663
502 HG LEU 64 HG LEU 64 13.515 9.503 -1.010
503 1HD1 LEU 64 1HD1 LEU 64 14.469 11.792 -1.412
504 2HD1 LEU 64 3HD1 LEU 64 12.970 12.506 -0.838
505 3HD1 LEU 64 2HD1 LEU 64 13.972 11.570 0.257
506 1HD2 LEU 64 2HD2 LEU 64 11.039 11.101 -0.208
507 2HD2 LEU 64 1HD2 LEU 64 11.121 9.346 -0.373
508 3HD2 LEU 64 3HD2 LEU 64 12.064 10.135 0.839
509 H LEU 65 H LEU 65 9.409 9.911 -3.989
510 HA LEU 65 HA LEU 65 10.117 9.517 -6.886
511 1HB LEU 65 2HB LEU 65 8.416 7.979 -6.027
512 2HB LEU 65 1HB LEU 65 7.419 9.332 -5.526
513 HG LEU 65 HG LEU 65 7.265 10.061 -7.947
514 1HD1 LEU 65 2HD1 LEU 65 8.705 7.405 -8.423
515 2HD1 LEU 65 1HD1 LEU 65 8.002 8.432 -9.655
516 3HD1 LEU 65 3HD1 LEU 65 9.381 8.993 -8.761
517 1HD2 LEU 65 3HD2 LEU 65 6.490 7.167 -7.397
518 2HD2 LEU 65 2HD2 LEU 65 5.530 8.561 -6.950
519 3HD2 LEU 65 1HD2 LEU 65 5.804 8.190 -8.642
520 H MET 66 H MET 66 10.924 11.669 -7.154
521 HA MET 66 HA MET 66 9.055 13.981 -6.849
522 1HB MET 66 2HB MET 66 11.883 13.750 -7.802
523 2HB MET 66 1HB MET 66 10.998 15.255 -7.563
524 1HG MET 66 2HG MET 66 11.621 13.238 -5.348
525 2HG MET 66 1HG MET 66 12.506 14.712 -5.592
526 1HE MET 66 2HE MET 66 11.133 17.081 -5.748
527 2HE MET 66 1HE MET 66 10.523 17.459 -4.153
528 3HE MET 66 3HE MET 66 12.127 16.769 -4.307
529 H SER 67 H SER 67 8.158 12.369 -8.389
530 HA SER 67 HA SER 67 8.476 13.137 -11.290
531 1HB SER 67 2HB SER 67 7.102 10.671 -10.186
532 2HB SER 67 1HB SER 67 7.500 11.010 -11.877
533 HG SER 67 HG SER 67 9.570 10.655 -11.474
534 HA PRO 68 HA PRO 68 4.647 15.179 -9.476
535 1HB PRO 68 2HB PRO 68 4.797 17.505 -10.992
536 2HB PRO 68 1HB PRO 68 5.722 17.247 -9.506
537 1HG PRO 68 2HG PRO 68 6.607 16.619 -12.388
538 2HG PRO 68 1HG PRO 68 7.443 17.661 -11.231
539 1HD PRO 68 2HD PRO 68 8.264 15.160 -11.398
540 2HD PRO 68 1HD PRO 68 7.929 15.754 -9.758
541 H GLY 69 H GLY 69 3.360 13.538 -10.376
542 1HA GLY 69 2HA GLY 69 1.154 13.394 -11.508
543 2HA GLY 69 1HA GLY 69 1.782 14.390 -12.802
544 H GLN 70 H GLN 70 3.964 11.975 -11.913
545 HA GLN 70 HA GLN 70 3.060 10.335 -14.271
546 1HB GLN 70 2HB GLN 70 5.830 10.483 -13.013
547 2HB GLN 70 1HB GLN 70 5.446 9.625 -14.484
548 1HG GLN 70 2HG GLN 70 6.143 11.616 -15.515
549 2HG GLN 70 1HG GLN 70 4.521 12.176 -15.150
550 1HE2 GLN 70 2HE2 GLN 70 5.793 14.622 -13.011
551 2HE2 GLN 70 1HE2 GLN 70 4.451 14.097 -13.896
552 H SER 71 H SER 71 3.852 8.059 -14.211
553 HA SER 71 HA SER 71 3.054 6.759 -11.625
554 1HB SER 71 2HB SER 71 1.456 6.372 -13.461
555 2HB SER 71 1HB SER 71 2.737 5.569 -14.380
556 HG SER 71 HG SER 71 2.577 3.882 -13.108
557 H THR 72 H THR 72 3.738 4.856 -11.055
558 HA THR 72 HA THR 72 6.533 4.017 -11.875
559 HB THR 72 HB THR 72 6.529 4.684 -9.515
560 HG1 THR 72 HG1 THR 72 6.408 1.938 -9.270
561 1HG2 THR 72 2HG2 THR 72 4.502 2.422 -9.117
562 2HG2 THR 72 1HG2 THR 72 5.257 3.401 -7.866
563 3HG2 THR 72 3HG2 THR 72 4.104 4.130 -8.970
564 H SER 73 H SER 73 6.696 1.788 -12.414
565 HA SER 73 HA SER 73 4.111 0.411 -12.950
566 1HB SER 73 2HB SER 73 5.774 0.562 -14.761
567 2HB SER 73 1HB SER 73 6.878 -0.465 -13.826
568 HG SER 73 HG SER 73 4.395 -0.930 -14.916
569 H THR 74 H THR 74 3.326 -1.309 -12.087
570 HA THR 74 HA THR 74 4.974 -2.832 -10.063
571 HB THR 74 HB THR 74 1.929 -3.098 -10.130
572 HG1 THR 74 HG1 THR 74 2.235 -0.982 -10.265
573 1HG2 THR 74 3HG2 THR 74 3.527 -4.129 -8.330
574 2HG2 THR 74 2HG2 THR 74 3.947 -2.471 -7.914
575 3HG2 THR 74 1HG2 THR 74 2.296 -3.027 -7.702
576 H THR 75 H THR 75 5.032 -3.195 -12.894
577 HA THR 75 HA THR 75 3.479 -5.350 -13.843
578 HB THR 75 HB THR 75 6.351 -4.570 -14.583
579 HG1 THR 75 HG1 THR 75 4.804 -3.063 -15.127
580 1HG2 THR 75 3HG2 THR 75 4.222 -6.168 -16.136
581 2HG2 THR 75 2HG2 THR 75 5.832 -5.757 -16.689
582 3HG2 THR 75 1HG2 THR 75 5.614 -6.961 -15.427
583 H PHE 76 H PHE 76 3.097 -7.081 -12.979
584 HA PHE 76 HA PHE 76 5.094 -8.725 -11.514
585 1HB PHE 76 2HB PHE 76 2.099 -8.659 -11.719
586 2HB PHE 76 1HB PHE 76 2.937 -10.013 -10.997
587 HD1 PHE 76 HD1 PHE 76 4.774 -9.302 -9.179
588 HD2 PHE 76 HD2 PHE 76 1.466 -6.887 -10.316
589 HE1 PHE 76 HE1 PHE 76 4.938 -8.094 -7.063
590 HE2 PHE 76 HE2 PHE 76 1.641 -5.665 -8.206
591 HZ PHE 76 HZ PHE 76 3.384 -6.256 -6.565
592 HA PRO 77 HA PRO 77 5.772 -10.095 -15.895
593 1HB PRO 77 2HB PRO 77 7.290 -12.340 -14.755
594 2HB PRO 77 1HB PRO 77 7.879 -10.992 -15.729
595 1HG PRO 77 2HG PRO 77 7.735 -11.300 -12.736
596 2HG PRO 77 1HG PRO 77 8.788 -10.241 -13.660
597 1HD PRO 77 2HD PRO 77 6.778 -9.261 -12.229
598 2HD PRO 77 1HD PRO 77 7.086 -8.537 -13.822
599 H ALA 78 H ALA 78 4.882 -12.449 -13.655
600 HA ALA 78 HA ALA 78 2.572 -13.664 -14.253
601 1HB ALA 78 1HB ALA 78 4.568 -14.810 -16.298
602 2HB ALA 78 3HB ALA 78 2.954 -15.443 -16.019
603 3HB ALA 78 2HB ALA 78 3.158 -13.845 -16.712
604 H ASP 79 H ASP 79 4.438 -13.448 -12.469
605 HA ASP 79 HA ASP 79 5.229 -16.109 -11.422
606 1HB ASP 79 2HB ASP 79 6.992 -14.704 -10.238
607 2HB ASP 79 1HB ASP 79 7.062 -14.503 -11.976
608 H ALA 80 H ALA 80 4.446 -12.995 -10.280
609 HA ALA 80 HA ALA 80 3.641 -12.958 -7.759
610 1HB ALA 80 2HB ALA 80 3.772 -11.123 -9.280
611 2HB ALA 80 1HB ALA 80 2.305 -11.658 -10.098
612 3HB ALA 80 3HB ALA 80 2.217 -11.042 -8.449
613 HA PRO 81 HA PRO 81 -0.260 -15.291 -7.461
614 1HB PRO 81 2HB PRO 81 0.512 -17.576 -6.469
615 2HB PRO 81 1HB PRO 81 1.099 -17.098 -8.066
616 1HG PRO 81 2HG PRO 81 2.635 -16.949 -5.410
617 2HG PRO 81 1HG PRO 81 3.256 -17.367 -7.015
618 1HD PRO 81 2HD PRO 81 3.188 -14.690 -5.780
619 2HD PRO 81 1HD PRO 81 3.859 -15.138 -7.361
620 H ALA 82 H ALA 82 -1.047 -16.601 -5.420
621 HA ALA 82 HA ALA 82 -2.340 -16.084 -3.504
622 1HB ALA 82 1HB ALA 82 0.542 -16.442 -2.634
623 2HB ALA 82 3HB ALA 82 -0.843 -16.693 -1.567
624 3HB ALA 82 2HB ALA 82 -0.620 -17.725 -2.984
625 H GLY 83 H GLY 83 -2.484 -13.827 -4.340
626 1HA GLY 83 2HA GLY 83 -1.841 -11.510 -4.003
627 2HA GLY 83 1HA GLY 83 -3.419 -11.872 -3.369
628 H GLU 84 H GLU 84 -1.579 -12.682 -0.751
629 HA GLU 84 HA GLU 84 -2.133 -10.101 0.365
630 1HB GLU 84 2HB GLU 84 -1.592 -12.601 1.447
631 2HB GLU 84 1HB GLU 84 -0.049 -11.817 1.714
632 1HG GLU 84 2HG GLU 84 -2.152 -9.977 2.535
633 2HG GLU 84 1HG GLU 84 -2.474 -11.498 3.262
634 H TYR 85 H TYR 85 -0.839 -8.744 -1.439
635 HA TYR 85 HA TYR 85 2.054 -8.483 -0.676
636 1HB TYR 85 2HB TYR 85 0.415 -7.409 -2.921
637 2HB TYR 85 1HB TYR 85 2.127 -7.068 -2.809
638 HD1 TYR 85 HD2 TYR 85 0.937 -10.510 -2.081
639 HD2 TYR 85 HD1 TYR 85 2.300 -7.849 -5.111
640 HE1 TYR 85 HE2 TYR 85 1.315 -12.386 -3.568
641 HE2 TYR 85 HE1 TYR 85 2.669 -9.782 -6.592
642 HH TYR 85 HH TYR 85 1.461 -12.845 -5.744
643 H THR 86 H THR 86 2.943 -6.297 -0.160
644 HA THR 86 HA THR 86 0.875 -4.176 0.305
645 HB THR 86 HB THR 86 2.849 -4.813 2.575
646 HG1 THR 86 HG1 THR 86 1.337 -6.102 3.122
647 1HG2 THR 86 2HG2 THR 86 0.179 -3.295 2.380
648 2HG2 THR 86 1HG2 THR 86 1.232 -3.376 3.782
649 3HG2 THR 86 3HG2 THR 86 1.709 -2.442 2.373
650 H PHE 87 H PHE 87 1.465 -2.318 -0.342
651 HA PHE 87 HA PHE 87 4.316 -1.650 -0.626
652 1HB PHE 87 2HB PHE 87 3.258 0.080 -2.316
653 2HB PHE 87 1HB PHE 87 3.849 -1.511 -2.749
654 HD1 PHE 87 HD2 PHE 87 2.316 -3.326 -2.983
655 HD2 PHE 87 HD1 PHE 87 0.939 0.632 -2.413
656 HE1 PHE 87 HE2 PHE 87 0.174 -3.995 -3.809
657 HE2 PHE 87 HE1 PHE 87 -1.258 0.010 -3.259
658 HZ PHE 87 HZ PHE 87 -1.704 -2.309 -3.979
659 H TYR 88 H TYR 88 4.975 0.040 0.758
660 HA TYR 88 HA TYR 88 2.938 2.026 1.548
661 1HB TYR 88 2HB TYR 88 4.499 2.501 3.464
662 2HB TYR 88 1HB TYR 88 3.698 0.936 3.508
663 HD1 TYR 88 HD1 TYR 88 4.914 -1.079 2.655
664 HD2 TYR 88 HD2 TYR 88 6.910 2.571 3.499
665 HE1 TYR 88 HE1 TYR 88 7.007 -2.260 2.774
666 HE2 TYR 88 HE2 TYR 88 9.060 1.345 3.616
667 HH TYR 88 HH TYR 88 9.246 -2.014 2.674
668 H CYS 89 H CYS 89 3.361 4.142 1.339
669 HA CYS 89 HA CYS 89 5.441 4.924 -0.614
670 1HB CYS 89 2HB CYS 89 3.117 5.738 -0.608
671 2HB CYS 89 1HB CYS 89 3.404 6.396 0.991
672 H GLU 90 H GLU 90 7.187 4.242 0.743
673 HA GLU 90 HA GLU 90 8.375 4.542 3.002
674 1HB GLU 90 2HB GLU 90 9.570 4.270 0.858
675 2HB GLU 90 1HB GLU 90 9.521 5.952 0.516
676 1HG GLU 90 2HG GLU 90 10.826 4.902 3.088
677 2HG GLU 90 1HG GLU 90 11.699 4.943 1.578
678 HA PRO 91 HA PRO 91 9.222 9.000 4.083
679 1HB PRO 91 2HB PRO 91 8.699 11.129 2.493
680 2HB PRO 91 1HB PRO 91 10.020 9.995 2.136
681 1HG PRO 91 2HG PRO 91 7.134 9.751 1.039
682 2HG PRO 91 1HG PRO 91 8.604 9.996 0.085
683 1HD PRO 91 2HD PRO 91 7.851 7.464 0.509
684 2HD PRO 91 1HD PRO 91 9.548 7.908 0.786
685 H HIS 92 HN HIP 92 6.314 8.134 2.972
686 HA HIS 92 HA HIP 92 4.685 9.878 4.799
687 1HB HIS 92 2HB HIP 92 3.742 8.326 2.325
688 2HB HIS 92 1HB HIP 92 2.778 9.441 3.271
689 HD2 HIS 92 HD2 HIP 92 5.532 11.662 3.175
690 HE1 HIS 92 HE1 HIP 92 4.095 12.059 -0.728
691 HE2 HIS 92 HE2 HIP 92 5.484 13.038 1.006
692 H ARG 93 H ARG 93 5.161 6.634 3.725
693 HA ARG 93 HA ARG 93 3.739 4.671 4.431
694 1HB ARG 93 2HB ARG 93 6.259 4.577 4.579
695 2HB ARG 93 1HB ARG 93 6.217 5.181 6.192
696 1HG ARG 93 2HG ARG 93 4.888 2.919 6.845
697 2HG ARG 93 1HG ARG 93 5.268 2.347 5.250
698 1HD ARG 93 2HD ARG 93 7.716 2.864 5.691
699 2HD ARG 93 1HD ARG 93 7.290 3.223 7.340
700 HE ARG 93 HE ARG 93 7.871 0.855 7.464
701 1HH1 ARG 93 2HH1 ARG 93 4.827 0.560 7.335
702 2HH1 ARG 93 1HH1 ARG 93 4.917 -0.949 6.447
703 1HH2 ARG 93 1HH2 ARG 93 8.000 -0.594 5.391
704 2HH2 ARG 93 2HH2 ARG 93 6.589 -1.554 5.483
705 H GLY 94 H GLY 94 4.811 4.744 7.530
706 1HA GLY 94 2HA GLY 94 2.695 3.967 9.020
707 2HA GLY 94 1HA GLY 94 3.812 5.128 9.686
708 H ALA 95 H ALA 95 3.159 7.395 8.607
709 HA ALA 95 HA ALA 95 0.340 7.844 9.511
710 1HB ALA 95 1HB ALA 95 2.090 8.758 10.950
711 2HB ALA 95 3HB ALA 95 2.769 9.625 9.573
712 3HB ALA 95 2HB ALA 95 1.184 10.071 10.183
713 H GLY 96 H GLY 96 1.279 7.316 6.810
714 1HA GLY 96 2HA GLY 96 -0.140 9.619 5.511
715 2HA GLY 96 1HA GLY 96 1.419 9.182 4.889
716 H MET 97 H MET 97 1.327 6.593 4.434
717 HA MET 97 HA MET 97 -1.197 5.704 3.310
718 1HB MET 97 2HB MET 97 -0.889 6.212 0.933
719 2HB MET 97 1HB MET 97 -0.821 7.656 1.888
720 1HG MET 97 2HG MET 97 1.735 7.273 1.961
721 2HG MET 97 1HG MET 97 1.402 6.242 0.588
722 1HE MET 97 3HE MET 97 -0.705 7.387 -0.953
723 2HE MET 97 2HE MET 97 -0.131 8.677 -1.972
724 3HE MET 97 1HE MET 97 0.766 7.159 -1.913
725 H VAL 98 H VAL 98 -1.206 3.620 3.405
726 HA VAL 98 HA VAL 98 0.961 1.917 2.286
727 HB VAL 98 HB VAL 98 0.177 0.282 3.877
728 1HG1 VAL 98 2HG1 VAL 98 2.065 1.868 4.452
729 2HG1 VAL 98 1HG1 VAL 98 0.893 3.002 5.091
730 3HG1 VAL 98 3HG1 VAL 98 1.132 1.460 5.882
731 1HG2 VAL 98 2HG2 VAL 98 -2.140 1.065 4.255
732 2HG2 VAL 98 1HG2 VAL 98 -1.265 0.990 5.765
733 3HG2 VAL 98 3HG2 VAL 98 -1.542 2.535 4.998
734 H GLY 99 H GLY 99 0.288 0.479 0.533
735 1HA GLY 99 2HA GLY 99 -2.678 0.061 0.115
736 2HA GLY 99 1HA GLY 99 -1.548 0.235 -1.208
737 H LYS 100 H LYS 100 -3.368 -1.979 -0.639
738 HA LYS 100 HA LYS 100 -1.342 -4.184 -0.420
739 1HB LYS 100 2HB LYS 100 -2.593 -3.772 1.694
740 2HB LYS 100 1HB LYS 100 -4.094 -4.120 0.868
741 1HG LYS 100 2HG LYS 100 -3.805 -6.360 1.044
742 2HG LYS 100 1HG LYS 100 -2.197 -6.322 0.419
743 1HD LYS 100 2HD LYS 100 -1.517 -5.411 2.867
744 2HD LYS 100 1HD LYS 100 -3.117 -5.965 3.332
745 1HE LYS 100 2HE LYS 100 -1.663 -7.862 3.766
746 2HE LYS 100 1HE LYS 100 -2.537 -8.156 2.262
747 1HZ LYS 100 1HZ LYS 100 -0.225 -6.616 1.706
748 2HZ LYS 100 3HZ LYS 100 0.264 -7.990 2.587
749 3HZ LYS 100 2HZ LYS 100 -0.576 -8.154 1.151
750 H ILE 101 H ILE 101 -1.534 -4.001 -2.865
751 HA ILE 101 HA ILE 101 -3.743 -4.949 -4.393
752 HB ILE 101 HB ILE 101 -1.258 -4.131 -5.198
753 1HG1 ILE 101 2HG1 ILE 101 -2.717 -6.287 -6.690
754 2HG1 ILE 101 1HG1 ILE 101 -2.887 -4.561 -6.892
755 1HG2 ILE 101 2HG2 ILE 101 -0.139 -6.014 -4.024
756 2HG2 ILE 101 1HG2 ILE 101 -0.888 -7.164 -5.124
757 3HG2 ILE 101 3HG2 ILE 101 0.292 -6.011 -5.712
758 1HD1 ILE 101 1HD1 ILE 101 -0.385 -4.441 -7.610
759 2HD1 ILE 101 3HD1 ILE 101 -0.349 -6.198 -7.553
760 3HD1 ILE 101 2HD1 ILE 101 -1.305 -5.401 -8.729
761 H THR 102 H THR 102 -4.787 -6.733 -4.376
762 HA THR 102 HA THR 102 -3.762 -9.151 -2.876
763 HB THR 102 HB THR 102 -6.680 -8.631 -3.433
764 HG1 THR 102 HG1 THR 102 -4.998 -7.204 -1.805
765 1HG2 THR 102 2HG2 THR 102 -5.122 -9.939 -1.141
766 2HG2 THR 102 1HG2 THR 102 -6.860 -9.960 -1.323
767 3HG2 THR 102 3HG2 THR 102 -5.852 -10.864 -2.443
768 H VAL 103 H VAL 103 -2.717 -10.208 -4.656
769 HA VAL 103 HA VAL 103 -3.918 -10.540 -7.187
770 HB VAL 103 HB VAL 103 -2.264 -12.666 -5.760
771 1HG1 VAL 103 3HG1 VAL 103 -2.497 -11.969 -8.657
772 2HG1 VAL 103 2HG1 VAL 103 -1.449 -13.181 -7.914
773 3HG1 VAL 103 1HG1 VAL 103 -3.164 -13.377 -7.822
774 1HG2 VAL 103 3HG2 VAL 103 -1.201 -10.204 -7.210
775 2HG2 VAL 103 2HG2 VAL 103 -1.013 -10.481 -5.511
776 3HG2 VAL 103 1HG2 VAL 103 -0.250 -11.556 -6.655
777 H ALA 104 H ALA 104 -5.271 -11.837 -8.096
778 HA ALA 104 HA ALA 104 -7.167 -13.435 -6.453
779 1HB ALA 104 3HB ALA 104 -7.963 -11.691 -8.125
780 2HB ALA 104 2HB ALA 104 -7.173 -12.586 -9.403
781 3HB ALA 104 1HB ALA 104 -8.541 -13.295 -8.571
782 H GLY 105 HN GLY 105 -5.107 -14.590 -6.155
783 1HA GLY 105 2HA GLY 105 -4.908 -17.132 -6.350
784 2HA GLY 105 1HA GLY 105 -4.481 -16.783 -8.042
No H/Q in entry = 784
Start of MODEL 3
1 1H GLU 1 1H GLU 1 -0.632 -1.799 -17.617
2 2H GLU 1 3H GLU 1 -0.435 -1.487 -19.236
3 3H GLU 1 2H GLU 1 -0.315 -0.222 -18.109
4 HA GLU 1 HA GLU 1 -2.475 0.203 -18.410
5 1HB GLU 1 2HB GLU 1 -3.880 -1.264 -19.908
6 2HB GLU 1 1HB GLU 1 -2.350 -0.886 -20.697
7 1HG GLU 1 2HG GLU 1 -3.306 -3.538 -19.462
8 2HG GLU 1 1HG GLU 1 -2.572 -3.293 -21.032
9 H THR 2 H THR 2 -1.772 -1.254 -16.024
10 HA THR 2 HA THR 2 -3.970 -3.099 -15.482
11 HB THR 2 HB THR 2 -1.595 -2.822 -14.243
12 HG1 THR 2 HG1 THR 2 -2.654 -4.332 -13.196
13 1HG2 THR 2 3HG2 THR 2 -2.484 -0.629 -12.840
14 2HG2 THR 2 2HG2 THR 2 -3.585 -1.758 -12.119
15 3HG2 THR 2 1HG2 THR 2 -1.905 -2.039 -11.956
16 H TYR 3 H TYR 3 -4.814 -2.603 -13.307
17 HA TYR 3 HA TYR 3 -7.051 -0.643 -13.494
18 1HB TYR 3 2HB TYR 3 -6.531 -2.492 -11.080
19 2HB TYR 3 1HB TYR 3 -8.077 -2.226 -11.889
20 HD1 TYR 3 HD1 TYR 3 -8.371 -3.366 -14.277
21 HD2 TYR 3 HD2 TYR 3 -5.082 -4.174 -11.721
22 HE1 TYR 3 HE1 TYR 3 -7.742 -5.335 -15.659
23 HE2 TYR 3 HE2 TYR 3 -4.490 -6.045 -13.064
24 HH TYR 3 HH TYR 3 -4.734 -6.914 -15.160
25 H THR 4 H THR 4 -5.390 0.961 -13.616
26 HA THR 4 HA THR 4 -3.375 1.628 -11.871
27 HB THR 4 HB THR 4 -3.594 3.983 -12.820
28 HG1 THR 4 HG1 THR 4 -6.149 3.364 -12.401
29 1HG2 THR 4 3HG2 THR 4 -3.323 2.275 -14.751
30 2HG2 THR 4 2HG2 THR 4 -5.074 2.248 -14.851
31 3HG2 THR 4 1HG2 THR 4 -4.210 3.730 -15.148
32 H VAL 5 H VAL 5 -2.891 2.592 -10.161
33 HA VAL 5 HA VAL 5 -5.176 3.378 -8.364
34 HB VAL 5 HB VAL 5 -3.907 1.387 -7.687
35 1HG1 VAL 5 2HG1 VAL 5 -1.533 3.282 -7.523
36 2HG1 VAL 5 1HG1 VAL 5 -1.549 1.623 -6.950
37 3HG1 VAL 5 3HG1 VAL 5 -1.694 1.957 -8.661
38 1HG2 VAL 5 1HG2 VAL 5 -4.836 2.866 -5.895
39 2HG2 VAL 5 3HG2 VAL 5 -3.341 2.128 -5.366
40 3HG2 VAL 5 2HG2 VAL 5 -3.358 3.802 -5.880
41 H LYS 6 H LYS 6 -4.984 5.242 -7.154
42 HA LYS 6 HA LYS 6 -2.978 7.264 -8.131
43 1HB LYS 6 2HB LYS 6 -5.748 7.646 -6.949
44 2HB LYS 6 1HB LYS 6 -4.699 8.938 -7.490
45 1HG LYS 6 2HG LYS 6 -4.878 8.199 -9.835
46 2HG LYS 6 1HG LYS 6 -5.613 6.692 -9.343
47 1HD LYS 6 2HD LYS 6 -7.452 8.210 -10.108
48 2HD LYS 6 1HD LYS 6 -7.595 7.818 -8.420
49 1HE LYS 6 2HE LYS 6 -8.104 10.146 -8.658
50 2HE LYS 6 1HE LYS 6 -6.610 9.972 -7.755
51 1HZ LYS 6 2HZ LYS 6 -5.922 10.025 -10.478
52 2HZ LYS 6 1HZ LYS 6 -6.970 11.350 -10.162
53 3HZ LYS 6 3HZ LYS 6 -5.608 11.192 -9.259
54 H LEU 7 H LEU 7 -1.462 7.864 -6.778
55 HA LEU 7 HA LEU 7 -1.958 7.569 -3.833
56 1HB LEU 7 2HB LEU 7 0.676 7.929 -3.821
57 2HB LEU 7 1HB LEU 7 0.020 6.363 -4.250
58 HG LEU 7 HG LEU 7 0.351 8.249 -6.458
59 1HD1 LEU 7 3HD1 LEU 7 2.681 6.926 -5.032
60 2HD1 LEU 7 2HD1 LEU 7 2.782 7.703 -6.609
61 3HD1 LEU 7 1HD1 LEU 7 2.318 8.652 -5.206
62 1HD2 LEU 7 1HD2 LEU 7 1.103 5.318 -5.990
63 2HD2 LEU 7 3HD2 LEU 7 -0.391 5.866 -6.742
64 3HD2 LEU 7 2HD2 LEU 7 1.144 6.132 -7.551
65 H GLY 8 H GLY 8 -3.040 9.182 -3.505
66 1HA GLY 8 2HA GLY 8 -2.699 11.447 -2.316
67 2HA GLY 8 1HA GLY 8 -2.099 12.012 -3.872
68 H SER 9 H SER 9 -4.731 9.855 -3.197
69 HA SER 9 HA SER 9 -6.685 10.089 -4.809
70 1HB SER 9 2HB SER 9 -6.980 10.528 -1.859
71 2HB SER 9 1HB SER 9 -8.370 10.238 -2.900
72 HG SER 9 HG SER 9 -7.620 8.369 -3.476
73 H ASP 10 H ASP 10 -6.134 12.004 -5.932
74 HA ASP 10 HA ASP 10 -6.368 14.444 -6.176
75 1HB ASP 10 2HB ASP 10 -8.315 12.523 -7.467
76 2HB ASP 10 1HB ASP 10 -8.287 14.175 -8.028
77 H LYS 11 H LYS 11 -9.522 13.291 -5.189
78 HA LYS 11 HA LYS 11 -10.185 16.138 -4.512
79 1HB LYS 11 2HB LYS 11 -11.423 15.197 -6.341
80 2HB LYS 11 1HB LYS 11 -11.956 13.865 -5.367
81 1HG LYS 11 2HG LYS 11 -13.776 15.430 -5.647
82 2HG LYS 11 1HG LYS 11 -13.341 15.392 -3.968
83 1HD LYS 11 2HD LYS 11 -12.175 17.492 -5.895
84 2HD LYS 11 1HD LYS 11 -13.766 17.754 -5.246
85 1HE LYS 11 2HE LYS 11 -11.164 17.587 -3.628
86 2HE LYS 11 1HE LYS 11 -12.116 19.015 -3.966
87 1HZ LYS 11 2HZ LYS 11 -13.846 17.031 -2.978
88 2HZ LYS 11 1HZ LYS 11 -12.511 17.026 -1.984
89 3HZ LYS 11 3HZ LYS 11 -13.416 18.463 -2.157
90 H GLY 12 H GLY 12 -9.457 13.409 -2.792
91 1HA GLY 12 2HA GLY 12 -11.216 14.178 -0.449
92 2HA GLY 12 1HA GLY 12 -10.714 12.535 -0.748
93 H LEU 13 H LEU 13 -8.299 12.192 -0.583
94 HA LEU 13 HA LEU 13 -6.918 14.077 1.227
95 1HB LEU 13 2HB LEU 13 -8.380 12.720 2.679
96 2HB LEU 13 1HB LEU 13 -7.734 11.234 2.032
97 HG LEU 13 HG LEU 13 -5.516 11.715 3.097
98 1HD1 LEU 13 2HD1 LEU 13 -6.981 14.182 4.188
99 2HD1 LEU 13 1HD1 LEU 13 -5.351 13.696 4.605
100 3HD1 LEU 13 3HD1 LEU 13 -5.706 14.288 2.997
101 1HD2 LEU 13 1HD2 LEU 13 -7.303 10.560 4.377
102 2HD2 LEU 13 3HD2 LEU 13 -6.298 11.540 5.423
103 3HD2 LEU 13 2HD2 LEU 13 -7.890 12.106 4.957
104 H LEU 14 H LEU 14 -4.656 12.981 1.917
105 HA LEU 14 HA LEU 14 -3.394 12.254 -0.665
106 1HB LEU 14 2HB LEU 14 -2.210 12.744 2.098
107 2HB LEU 14 1HB LEU 14 -1.265 12.498 0.654
108 HG LEU 14 HG LEU 14 -3.212 14.815 1.116
109 1HD1 LEU 14 1HD1 LEU 14 -1.046 14.922 2.365
110 2HD1 LEU 14 3HD1 LEU 14 -0.172 14.655 0.871
111 3HD1 LEU 14 2HD1 LEU 14 -1.093 16.129 1.095
112 1HD2 LEU 14 3HD2 LEU 14 -1.346 14.210 -1.236
113 2HD2 LEU 14 2HD2 LEU 14 -3.101 14.165 -1.317
114 3HD2 LEU 14 1HD2 LEU 14 -2.284 15.678 -1.028
115 H VAL 15 H VAL 15 -4.932 10.292 -0.323
116 HA VAL 15 HA VAL 15 -3.422 7.996 0.894
117 HB VAL 15 HB VAL 15 -5.588 6.852 1.103
118 1HG1 VAL 15 1HG1 VAL 15 -4.846 8.370 2.909
119 2HG1 VAL 15 3HG1 VAL 15 -5.664 9.711 2.130
120 3HG1 VAL 15 2HG1 VAL 15 -6.597 8.371 2.771
121 1HG2 VAL 15 3HG2 VAL 15 -6.794 9.393 -0.082
122 2HG2 VAL 15 2HG2 VAL 15 -6.753 7.833 -0.872
123 3HG2 VAL 15 1HG2 VAL 15 -7.696 8.047 0.580
124 H PHE 16 H PHE 16 -4.444 5.880 -0.242
125 HA PHE 16 HA PHE 16 -3.582 5.980 -3.105
126 1HB PHE 16 2HB PHE 16 -3.570 3.787 -1.006
127 2HB PHE 16 1HB PHE 16 -3.367 3.409 -2.691
128 HD1 PHE 16 HD2 PHE 16 -1.642 6.477 -2.200
129 HD2 PHE 16 HD1 PHE 16 -1.477 2.324 -1.443
130 HE1 PHE 16 HE2 PHE 16 0.822 6.594 -2.041
131 HE2 PHE 16 HE1 PHE 16 0.961 2.421 -1.267
132 HZ PHE 16 HZ PHE 16 2.117 4.544 -1.584
133 H GLU 17 H GLU 17 -6.321 6.708 -3.256
134 HA GLU 17 HA GLU 17 -8.079 4.507 -3.247
135 1HB GLU 17 2HB GLU 17 -9.481 5.953 -4.742
136 2HB GLU 17 1HB GLU 17 -8.813 6.836 -3.405
137 1HG GLU 17 2HG GLU 17 -6.885 7.539 -5.126
138 2HG GLU 17 1HG GLU 17 -7.964 6.913 -6.344
139 HA PRO 18 HA PRO 18 -9.540 3.274 -3.953
140 1HB PRO 18 2HB PRO 18 -10.532 1.061 -4.914
141 2HB PRO 18 1HB PRO 18 -10.537 2.523 -5.918
142 1HG PRO 18 2HG PRO 18 -8.509 0.209 -5.960
143 2HG PRO 18 1HG PRO 18 -9.351 0.918 -7.337
144 1HD PRO 18 2HD PRO 18 -6.771 1.713 -6.501
145 2HD PRO 18 1HD PRO 18 -7.845 2.741 -7.463
146 H ALA 19 H ALA 19 -6.744 2.382 -3.283
147 HA ALA 19 HA ALA 19 -5.618 1.341 -1.569
148 1HB ALA 19 1HB ALA 19 -7.515 2.134 -0.203
149 2HB ALA 19 3HB ALA 19 -8.463 0.715 -0.607
150 3HB ALA 19 2HB ALA 19 -7.018 0.554 0.369
151 H LYS 20 H LYS 20 -8.180 -0.839 -2.506
152 HA LYS 20 HA LYS 20 -6.226 -3.138 -2.370
153 1HB LYS 20 2HB LYS 20 -8.082 -3.224 -0.766
154 2HB LYS 20 1HB LYS 20 -9.233 -3.202 -2.091
155 1HG LYS 20 2HG LYS 20 -8.381 -5.323 -2.984
156 2HG LYS 20 1HG LYS 20 -7.050 -5.327 -1.850
157 1HD LYS 20 2HD LYS 20 -8.732 -5.519 0.066
158 2HD LYS 20 1HD LYS 20 -10.038 -5.470 -1.100
159 1HE LYS 20 2HE LYS 20 -9.585 -7.807 -0.409
160 2HE LYS 20 1HE LYS 20 -9.223 -7.585 -2.121
161 1HZ LYS 20 1HZ LYS 20 -6.912 -6.851 -0.652
162 2HZ LYS 20 3HZ LYS 20 -7.299 -8.352 -0.112
163 3HZ LYS 20 2HZ LYS 20 -7.071 -8.005 -1.752
164 H LEU 21 H LEU 21 -5.537 -3.858 -4.212
165 HA LEU 21 HA LEU 21 -7.269 -3.854 -6.664
166 1HB LEU 21 2HB LEU 21 -5.083 -2.530 -6.639
167 2HB LEU 21 1HB LEU 21 -4.271 -4.061 -6.591
168 HG LEU 21 HG LEU 21 -5.792 -2.803 -8.886
169 1HD1 LEU 21 1HD1 LEU 21 -3.329 -4.540 -8.630
170 2HD1 LEU 21 3HD1 LEU 21 -3.886 -3.895 -10.147
171 3HD1 LEU 21 2HD1 LEU 21 -3.359 -2.817 -8.871
172 1HD2 LEU 21 2HD2 LEU 21 -5.612 -5.872 -8.724
173 2HD2 LEU 21 1HD2 LEU 21 -7.102 -4.977 -8.732
174 3HD2 LEU 21 3HD2 LEU 21 -6.078 -4.988 -10.124
175 H THR 22 H THR 22 -8.177 -5.969 -6.816
176 HA THR 22 HA THR 22 -6.391 -8.279 -6.236
177 HB THR 22 HB THR 22 -9.337 -8.190 -7.116
178 HG1 THR 22 HG1 THR 22 -7.834 -8.368 -4.724
179 1HG2 THR 22 3HG2 THR 22 -7.625 -10.589 -6.213
180 2HG2 THR 22 2HG2 THR 22 -9.327 -10.598 -6.605
181 3HG2 THR 22 1HG2 THR 22 -8.136 -10.355 -7.868
182 H ILE 23 H ILE 23 -4.916 -8.566 -7.723
183 HA ILE 23 HA ILE 23 -5.464 -8.245 -10.583
184 HB ILE 23 HB ILE 23 -3.021 -8.310 -10.907
185 1HG1 ILE 23 2HG1 ILE 23 -2.466 -8.311 -7.978
186 2HG1 ILE 23 1HG1 ILE 23 -2.842 -9.840 -8.717
187 1HG2 ILE 23 1HG2 ILE 23 -4.110 -6.215 -10.404
188 2HG2 ILE 23 3HG2 ILE 23 -3.775 -6.490 -8.688
189 3HG2 ILE 23 2HG2 ILE 23 -2.469 -6.277 -9.839
190 1HD1 ILE 23 1HD1 ILE 23 -0.733 -7.978 -9.835
191 2HD1 ILE 23 3HD1 ILE 23 -0.400 -9.409 -8.866
192 3HD1 ILE 23 2HD1 ILE 23 -1.163 -9.566 -10.426
193 H LYS 24 H LYS 24 -3.897 -9.687 -11.951
194 HA LYS 24 HA LYS 24 -4.853 -12.337 -11.347
195 1HB LYS 24 2HB LYS 24 -3.193 -11.787 -13.886
196 2HB LYS 24 1HB LYS 24 -4.491 -12.933 -13.695
197 1HG LYS 24 2HG LYS 24 -4.738 -9.982 -14.266
198 2HG LYS 24 1HG LYS 24 -5.331 -11.357 -15.124
199 1HD LYS 24 2HD LYS 24 -7.076 -11.872 -13.707
200 2HD LYS 24 1HD LYS 24 -6.384 -11.085 -12.327
201 1HE LYS 24 2HE LYS 24 -7.514 -9.679 -14.723
202 2HE LYS 24 1HE LYS 24 -8.326 -9.923 -13.166
203 1HZ LYS 24 1HZ LYS 24 -5.682 -9.054 -12.736
204 2HZ LYS 24 3HZ LYS 24 -6.263 -8.001 -13.810
205 3HZ LYS 24 2HZ LYS 24 -7.047 -8.179 -12.295
206 HA PRO 25 HA PRO 25 -0.745 -14.116 -10.262
207 1HB PRO 25 2HB PRO 25 -0.697 -16.397 -11.821
208 2HB PRO 25 1HB PRO 25 -1.649 -16.256 -10.338
209 1HG PRO 25 2HG PRO 25 -2.599 -15.625 -13.204
210 2HG PRO 25 1HG PRO 25 -3.344 -16.768 -12.076
211 1HD PRO 25 2HD PRO 25 -4.374 -14.356 -12.170
212 2HD PRO 25 1HD PRO 25 -3.968 -14.951 -10.552
213 H GLY 26 H GLY 26 0.019 -12.063 -11.409
214 1HA GLY 26 2HA GLY 26 2.240 -11.650 -12.520
215 2HA GLY 26 1HA GLY 26 1.822 -12.850 -13.728
216 H ASP 27 H ASP 27 0.006 -10.262 -12.378
217 HA ASP 27 HA ASP 27 -0.738 -9.182 -15.030
218 1HB ASP 27 2HB ASP 27 -2.286 -9.942 -13.109
219 2HB ASP 27 1HB ASP 27 -1.666 -8.570 -12.222
220 H THR 28 H THR 28 -1.081 -6.732 -14.927
221 HA THR 28 HA THR 28 1.545 -5.498 -14.528
222 HB THR 28 HB THR 28 -0.885 -4.311 -15.915
223 HG1 THR 28 HG1 THR 28 0.058 -5.089 -17.616
224 1HG2 THR 28 1HG2 THR 28 1.098 -2.656 -15.290
225 2HG2 THR 28 3HG2 THR 28 2.119 -3.759 -16.199
226 3HG2 THR 28 2HG2 THR 28 0.840 -2.907 -17.002
227 H VAL 29 H VAL 29 1.897 -3.596 -13.484
228 HA VAL 29 HA VAL 29 -0.133 -2.774 -11.478
229 HB VAL 29 HB VAL 29 2.783 -2.810 -11.105
230 1HG1 VAL 29 1HG1 VAL 29 0.467 -2.036 -9.242
231 2HG1 VAL 29 3HG1 VAL 29 2.138 -2.196 -8.753
232 3HG1 VAL 29 2HG1 VAL 29 1.670 -0.914 -9.843
233 1HG2 VAL 29 2HG2 VAL 29 1.591 -5.036 -11.052
234 2HG2 VAL 29 1HG2 VAL 29 2.159 -4.540 -9.472
235 3HG2 VAL 29 3HG2 VAL 29 0.454 -4.383 -9.891
236 H GLU 30 H GLU 30 -0.810 -0.524 -11.953
237 HA GLU 30 HA GLU 30 1.133 1.320 -13.178
238 1HB GLU 30 2HB GLU 30 -1.824 1.874 -13.162
239 2HB GLU 30 1HB GLU 30 -0.614 2.441 -14.276
240 1HG GLU 30 2HG GLU 30 -1.086 -0.519 -14.234
241 2HG GLU 30 1HG GLU 30 -2.329 0.473 -14.948
242 H PHE 31 H PHE 31 1.987 2.629 -11.635
243 HA PHE 31 HA PHE 31 0.319 3.676 -9.373
244 1HB PHE 31 2HB PHE 31 3.316 3.210 -9.656
245 2HB PHE 31 1HB PHE 31 2.682 4.216 -8.380
246 HD1 PHE 31 HD1 PHE 31 0.519 2.910 -7.175
247 HD2 PHE 31 HD2 PHE 31 3.954 1.120 -8.897
248 HE1 PHE 31 HE1 PHE 31 0.224 0.937 -5.725
249 HE2 PHE 31 HE2 PHE 31 3.669 -0.835 -7.441
250 HZ PHE 31 HZ PHE 31 1.793 -0.926 -5.850
251 H LEU 32 H LEU 32 -0.450 5.712 -9.803
252 HA LEU 32 HA LEU 32 1.321 7.595 -11.215
253 1HB LEU 32 2HB LEU 32 -1.013 6.858 -12.119
254 2HB LEU 32 1HB LEU 32 -1.679 7.814 -10.818
255 HG LEU 32 HG LEU 32 0.234 8.988 -12.908
256 1HD1 LEU 32 3HD1 LEU 32 -2.825 9.027 -12.788
257 2HD1 LEU 32 2HD1 LEU 32 -1.838 9.882 -13.963
258 3HD1 LEU 32 1HD1 LEU 32 -1.879 8.133 -13.958
259 1HD2 LEU 32 2HD2 LEU 32 -1.754 10.267 -10.982
260 2HD2 LEU 32 1HD2 LEU 32 -0.009 10.325 -10.815
261 3HD2 LEU 32 3HD2 LEU 32 -0.772 11.123 -12.162
262 H ASN 33 H ASN 33 2.115 9.263 -10.098
263 HA ASN 33 HA ASN 33 1.206 9.738 -7.252
264 1HB ASN 33 2HB ASN 33 3.399 10.593 -6.860
265 2HB ASN 33 1HB ASN 33 3.668 9.246 -7.945
266 1HD2 ASN 33 2HD2 ASN 33 5.275 12.504 -9.045
267 2HD2 ASN 33 1HD2 ASN 33 5.065 12.015 -7.429
268 H ASN 34 H ASN 34 -0.636 10.539 -8.370
269 HA ASN 34 HA ASN 34 -0.989 12.945 -9.698
270 1HB ASN 34 2HB ASN 34 -3.283 12.857 -8.421
271 2HB ASN 34 1HB ASN 34 -2.858 11.561 -9.513
272 1HD2 ASN 34 2HD2 ASN 34 -3.661 10.543 -5.828
273 2HD2 ASN 34 1HD2 ASN 34 -4.111 12.069 -6.446
274 H LYS 35 H LYS 35 -0.854 12.988 -6.121
275 HA LYS 35 HA LYS 35 -0.578 15.973 -6.348
276 1HB LYS 35 2HB LYS 35 -2.606 14.388 -4.811
277 2HB LYS 35 1HB LYS 35 -1.974 15.742 -3.938
278 1HG LYS 35 2HG LYS 35 -3.862 16.671 -4.949
279 2HG LYS 35 1HG LYS 35 -2.614 17.164 -6.079
280 1HD LYS 35 2HD LYS 35 -3.167 15.219 -7.557
281 2HD LYS 35 1HD LYS 35 -4.325 14.631 -6.378
282 1HE LYS 35 2HE LYS 35 -5.699 16.692 -6.760
283 2HE LYS 35 1HE LYS 35 -4.509 17.242 -7.947
284 1HZ LYS 35 3HZ LYS 35 -5.125 14.539 -8.517
285 2HZ LYS 35 2HZ LYS 35 -6.577 15.298 -8.355
286 3HZ LYS 35 1HZ LYS 35 -5.477 15.858 -9.496
287 H VAL 36 H VAL 36 -0.217 16.880 -4.033
288 HA VAL 36 HA VAL 36 1.995 17.390 -3.018
289 HB VAL 36 HB VAL 36 0.207 15.754 -1.234
290 1HG1 VAL 36 3HG1 VAL 36 2.193 17.978 -0.545
291 2HG1 VAL 36 2HG1 VAL 36 1.081 17.222 0.576
292 3HG1 VAL 36 1HG1 VAL 36 2.371 16.280 -0.136
293 1HG2 VAL 36 1HG2 VAL 36 0.213 18.755 -1.884
294 2HG2 VAL 36 3HG2 VAL 36 -1.018 17.616 -2.412
295 3HG2 VAL 36 2HG2 VAL 36 -0.830 17.974 -0.713
296 HA PRO 37 HA PRO 37 4.648 13.741 -3.328
297 1HB PRO 37 2HB PRO 37 7.023 15.024 -3.690
298 2HB PRO 37 1HB PRO 37 5.770 15.032 -4.937
299 1HG PRO 37 2HG PRO 37 6.277 17.091 -2.707
300 2HG PRO 37 1HG PRO 37 6.252 17.398 -4.445
301 1HD PRO 37 2HD PRO 37 4.035 17.789 -2.937
302 2HD PRO 37 1HD PRO 37 3.864 17.091 -4.570
303 HA PRO 38 HA PRO 38 6.707 12.937 -3.579
304 1HB PRO 38 2HB PRO 38 9.084 11.899 -3.075
305 2HB PRO 38 1HB PRO 38 8.880 13.649 -2.989
306 1HG PRO 38 2HG PRO 38 8.984 11.679 -0.660
307 2HG PRO 38 1HG PRO 38 9.720 13.275 -0.782
308 1HD PRO 38 2HD PRO 38 7.124 12.671 0.374
309 2HD PRO 38 1HD PRO 38 7.776 14.297 0.082
310 H HIS 39 HN HIP 39 6.294 10.894 -4.368
311 HA HIS 39 HA HIP 39 5.522 8.883 -2.241
312 1HB HIS 39 2HB HIP 39 4.255 9.117 -4.875
313 2HB HIS 39 1HB HIP 39 3.729 8.151 -3.515
314 HD2 HIS 39 HD2 HIP 39 3.388 11.547 -5.077
315 HE1 HIS 39 HE1 HIP 39 1.575 11.962 -1.368
316 HE2 HIS 39 HE2 HIP 39 1.971 12.933 -3.562
317 H ASN 40 H ASN 40 7.706 7.606 -2.419
318 HA ASN 40 HA ASN 40 7.727 5.884 -4.893
319 1HB ASN 40 2HB ASN 40 10.043 5.209 -3.932
320 2HB ASN 40 1HB ASN 40 9.946 6.909 -4.317
321 1HD2 ASN 40 2HD2 ASN 40 10.882 5.897 -0.639
322 2HD2 ASN 40 1HD2 ASN 40 10.932 4.819 -1.927
323 H VAL 41 H VAL 41 7.527 3.555 -4.570
324 HA VAL 41 HA VAL 41 6.286 2.921 -1.911
325 HB VAL 41 HB VAL 41 5.134 1.054 -3.026
326 1HG1 VAL 41 3HG1 VAL 41 4.662 3.835 -4.219
327 2HG1 VAL 41 2HG1 VAL 41 3.493 2.530 -4.211
328 3HG1 VAL 41 1HG1 VAL 41 4.010 3.249 -2.699
329 1HG2 VAL 41 3HG2 VAL 41 6.629 0.796 -5.056
330 2HG2 VAL 41 2HG2 VAL 41 4.970 1.087 -5.533
331 3HG2 VAL 41 1HG2 VAL 41 6.134 2.386 -5.615
332 H VAL 42 H VAL 42 7.000 1.651 -0.635
333 HA VAL 42 HA VAL 42 9.132 -0.304 -1.375
334 HB VAL 42 HB VAL 42 8.461 1.157 1.212
335 1HG1 VAL 42 3HG1 VAL 42 9.565 -1.158 1.586
336 2HG1 VAL 42 2HG1 VAL 42 10.922 -0.587 0.613
337 3HG1 VAL 42 1HG1 VAL 42 10.538 0.200 2.114
338 1HG2 VAL 42 1HG2 VAL 42 10.826 1.413 -0.704
339 2HG2 VAL 42 3HG2 VAL 42 9.537 2.574 -0.511
340 3HG2 VAL 42 2HG2 VAL 42 10.643 2.280 0.807
341 H PHE 43 H PHE 43 8.628 -2.337 -1.101
342 HA PHE 43 HA PHE 43 5.946 -3.202 -0.323
343 1HB PHE 43 2HB PHE 43 8.112 -4.356 -2.010
344 2HB PHE 43 1HB PHE 43 6.940 -5.443 -1.302
345 HD1 PHE 43 HD1 PHE 43 6.829 -1.983 -2.868
346 HD2 PHE 43 HD2 PHE 43 5.136 -5.886 -2.664
347 HE1 PHE 43 HE1 PHE 43 5.161 -1.349 -4.555
348 HE2 PHE 43 HE2 PHE 43 3.467 -5.243 -4.352
349 HZ PHE 43 HZ PHE 43 3.484 -2.973 -5.298
350 H ASP 44 H ASP 44 5.407 -4.344 1.343
351 HA ASP 44 HA ASP 44 6.970 -4.607 3.660
352 1HB ASP 44 2HB ASP 44 4.598 -4.223 3.703
353 2HB ASP 44 1HB ASP 44 4.286 -5.604 2.666
354 H ALA 45 H ALA 45 7.166 -6.391 4.964
355 HA ALA 45 HA ALA 45 8.384 -8.758 3.712
356 1HB ALA 45 3HB ALA 45 9.041 -7.327 6.290
357 2HB ALA 45 2HB ALA 45 9.862 -8.775 5.720
358 3HB ALA 45 1HB ALA 45 9.963 -7.283 4.794
359 H ALA 46 H ALA 46 5.627 -7.972 5.249
360 HA ALA 46 HA ALA 46 5.409 -10.394 6.981
361 1HB ALA 46 3HB ALA 46 3.687 -7.896 6.724
362 2HB ALA 46 2HB ALA 46 3.420 -9.180 7.891
363 3HB ALA 46 1HB ALA 46 4.877 -8.200 7.957
364 H LEU 47 H LEU 47 3.466 -8.740 4.545
365 HA LEU 47 HA LEU 47 1.958 -11.215 3.885
366 1HB LEU 47 2HB LEU 47 1.628 -8.306 3.074
367 2HB LEU 47 1HB LEU 47 0.562 -9.570 2.517
368 HG LEU 47 HG LEU 47 -0.575 -8.372 4.285
369 1HD1 LEU 47 1HD1 LEU 47 -0.852 -10.844 4.316
370 2HD1 LEU 47 3HD1 LEU 47 0.505 -10.978 5.418
371 3HD1 LEU 47 2HD1 LEU 47 -0.955 -10.174 5.936
372 1HD2 LEU 47 2HD2 LEU 47 1.460 -7.413 5.402
373 2HD2 LEU 47 1HD2 LEU 47 0.337 -8.130 6.546
374 3HD2 LEU 47 3HD2 LEU 47 1.780 -8.986 6.088
375 H ASN 48 H ASN 48 4.253 -11.833 2.991
376 HA ASN 48 HA ASN 48 4.190 -11.285 0.030
377 1HB ASN 48 2HB ASN 48 6.577 -11.055 -0.021
378 2HB ASN 48 1HB ASN 48 6.117 -10.234 1.452
379 1HD2 ASN 48 2HD2 ASN 48 8.675 -13.142 1.705
380 2HD2 ASN 48 1HD2 ASN 48 8.263 -12.502 0.202
381 HA PRO 49 HA PRO 49 2.215 -14.974 0.267
382 1HB PRO 49 2HB PRO 49 3.169 -16.354 -2.079
383 2HB PRO 49 1HB PRO 49 1.765 -15.308 -1.945
384 1HG PRO 49 2HG PRO 49 4.615 -14.483 -2.719
385 2HG PRO 49 1HG PRO 49 3.098 -13.992 -3.479
386 1HD PRO 49 2HD PRO 49 4.189 -12.274 -1.821
387 2HD PRO 49 1HD PRO 49 2.476 -12.648 -1.496
388 H ALA 50 H ALA 50 5.420 -16.059 -0.740
389 HA ALA 50 HA ALA 50 5.257 -18.336 1.195
390 1HB ALA 50 1HB ALA 50 6.015 -18.742 -1.186
391 2HB ALA 50 3HB ALA 50 7.336 -17.603 -0.941
392 3HB ALA 50 2HB ALA 50 7.306 -19.103 -0.045
393 H LYS 51 H LYS 51 5.212 -16.179 2.493
394 HA LYS 51 HA LYS 51 6.342 -14.488 3.698
395 1HB LYS 51 2HB LYS 51 5.240 -16.336 4.943
396 2HB LYS 51 1HB LYS 51 6.734 -17.230 4.936
397 1HG LYS 51 2HG LYS 51 6.381 -16.313 7.112
398 2HG LYS 51 1HG LYS 51 7.785 -15.544 6.490
399 1HD LYS 51 2HD LYS 51 4.933 -14.438 6.563
400 2HD LYS 51 1HD LYS 51 6.193 -13.977 7.674
401 1HE LYS 51 2HE LYS 51 5.691 -13.059 4.845
402 2HE LYS 51 1HE LYS 51 5.988 -12.166 6.297
403 1HZ LYS 51 3HZ LYS 51 8.314 -13.738 5.781
404 2HZ LYS 51 2HZ LYS 51 7.876 -12.844 4.415
405 3HZ LYS 51 1HZ LYS 51 8.111 -12.029 5.820
406 H SER 52 H SER 52 8.259 -14.966 1.816
407 HA SER 52 HA SER 52 10.916 -15.154 3.169
408 1HB SER 52 2HB SER 52 10.431 -16.456 1.121
409 2HB SER 52 1HB SER 52 10.131 -14.974 0.247
410 HG SER 52 HG SER 52 12.161 -15.395 -0.153
411 H ALA 53 H ALA 53 12.295 -13.622 1.402
412 HA ALA 53 HA ALA 53 11.692 -10.735 2.035
413 1HB ALA 53 1HB ALA 53 14.402 -12.180 2.003
414 2HB ALA 53 3HB ALA 53 14.194 -10.475 2.354
415 3HB ALA 53 2HB ALA 53 13.547 -11.682 3.451
416 H ASP 54 H ASP 54 13.031 -13.023 -0.068
417 HA ASP 54 HA ASP 54 14.268 -12.153 -2.188
418 1HB ASP 54 2HB ASP 54 12.735 -13.878 -3.413
419 2HB ASP 54 1HB ASP 54 13.476 -14.417 -1.929
420 H LEU 55 H LEU 55 10.950 -12.264 -2.869
421 HA LEU 55 HA LEU 55 11.025 -10.185 -4.898
422 1HB LEU 55 2HB LEU 55 9.516 -12.394 -4.553
423 2HB LEU 55 1HB LEU 55 8.447 -11.291 -3.717
424 HG LEU 55 HG LEU 55 9.388 -11.140 -6.612
425 1HD1 LEU 55 2HD1 LEU 55 7.531 -12.674 -6.122
426 2HD1 LEU 55 1HD1 LEU 55 6.641 -11.376 -5.340
427 3HD1 LEU 55 3HD1 LEU 55 6.971 -11.304 -7.060
428 1HD2 LEU 55 1HD2 LEU 55 7.711 -9.121 -5.059
429 2HD2 LEU 55 3HD2 LEU 55 9.323 -8.855 -5.712
430 3HD2 LEU 55 2HD2 LEU 55 7.980 -9.109 -6.795
431 H ALA 56 H ALA 56 9.682 -10.525 -1.687
432 HA ALA 56 HA ALA 56 8.322 -8.179 -1.111
433 1HB ALA 56 3HB ALA 56 8.846 -9.977 0.569
434 2HB ALA 56 2HB ALA 56 10.508 -9.449 0.639
435 3HB ALA 56 1HB ALA 56 9.236 -8.403 1.227
436 H LYS 57 H LYS 57 11.794 -8.453 -1.273
437 HA LYS 57 HA LYS 57 12.152 -5.484 -1.202
438 1HB LYS 57 2HB LYS 57 13.817 -7.955 -0.704
439 2HB LYS 57 1HB LYS 57 14.675 -6.690 -1.541
440 1HG LYS 57 2HG LYS 57 15.032 -6.501 0.870
441 2HG LYS 57 1HG LYS 57 14.234 -5.088 0.249
442 1HD LYS 57 2HD LYS 57 12.266 -7.131 1.214
443 2HD LYS 57 1HD LYS 57 13.408 -6.724 2.464
444 1HE LYS 57 2HE LYS 57 11.733 -5.088 2.802
445 2HE LYS 57 1HE LYS 57 12.918 -4.215 1.835
446 1HZ LYS 57 2HZ LYS 57 11.141 -5.763 0.207
447 2HZ LYS 57 1HZ LYS 57 10.245 -4.683 1.086
448 3HZ LYS 57 3HZ LYS 57 11.495 -4.162 0.053
449 H SER 58 H SER 58 13.069 -8.046 -3.508
450 HA SER 58 HA SER 58 14.063 -6.424 -5.551
451 1HB SER 58 2HB SER 58 12.108 -8.735 -5.911
452 2HB SER 58 1HB SER 58 13.178 -8.072 -7.166
453 HG SER 58 HG SER 58 13.870 -9.412 -4.772
454 H LEU 59 H LEU 59 10.810 -6.640 -4.524
455 HA LEU 59 HA LEU 59 9.718 -5.015 -6.718
456 1HB LEU 59 2HB LEU 59 8.654 -7.015 -5.280
457 2HB LEU 59 1HB LEU 59 8.187 -5.732 -4.207
458 HG LEU 59 HG LEU 59 6.348 -6.178 -5.739
459 1HD1 LEU 59 1HD1 LEU 59 6.823 -3.826 -5.163
460 2HD1 LEU 59 3HD1 LEU 59 7.772 -3.654 -6.616
461 3HD1 LEU 59 2HD1 LEU 59 6.054 -3.993 -6.725
462 1HD2 LEU 59 1HD2 LEU 59 7.704 -7.148 -7.645
463 2HD2 LEU 59 3HD2 LEU 59 6.609 -5.898 -8.186
464 3HD2 LEU 59 2HD2 LEU 59 8.306 -5.552 -8.021
465 H SER 60 H SER 60 10.076 -4.598 -3.068
466 HA SER 60 HA SER 60 9.251 -1.910 -2.997
467 1HB SER 60 2HB SER 60 10.665 -1.760 -0.910
468 2HB SER 60 1HB SER 60 9.926 -3.371 -0.962
469 HG SER 60 HG SER 60 12.242 -3.369 -2.365
470 H HIS 61 H HIS 61 9.899 -0.120 -3.973
471 HA HIS 61 HA HIS 61 12.721 -0.021 -4.964
472 1HB HIS 61 2HB HIS 61 10.856 -0.100 -6.654
473 2HB HIS 61 1HB HIS 61 10.252 1.434 -6.036
474 HD1 HIS 61 HD1 HIS 61 13.596 0.187 -7.021
475 HD2 HIS 61 HD2 HIS 61 11.269 3.474 -7.627
476 HE1 HIS 61 HE1 HIS 61 14.945 1.770 -8.446
477 H LYS 62 H LYS 62 13.284 2.458 -5.513
478 HA LYS 62 HA LYS 62 12.877 4.013 -2.978
479 1HB LYS 62 2HB LYS 62 15.451 3.487 -4.538
480 2HB LYS 62 1HB LYS 62 15.340 4.734 -3.312
481 1HG LYS 62 2HG LYS 62 14.736 1.756 -2.822
482 2HG LYS 62 1HG LYS 62 16.267 2.529 -2.445
483 1HD LYS 62 2HD LYS 62 14.887 4.208 -0.976
484 2HD LYS 62 1HD LYS 62 13.497 3.207 -1.287
485 1HE LYS 62 2HE LYS 62 14.390 1.305 -0.202
486 2HE LYS 62 1HE LYS 62 15.934 2.107 0.089
487 1HZ LYS 62 2HZ LYS 62 13.741 3.800 0.849
488 2HZ LYS 62 1HZ LYS 62 13.488 2.425 1.592
489 3HZ LYS 62 3HZ LYS 62 14.901 3.260 1.891
490 H GLN 63 H GLN 63 14.180 4.793 -6.175
491 HA GLN 63 HA GLN 63 14.371 7.334 -6.551
492 1HB GLN 63 2HB GLN 63 13.975 5.561 -8.312
493 2HB GLN 63 1HB GLN 63 12.257 5.855 -8.147
494 1HG GLN 63 2HG GLN 63 12.466 8.173 -8.917
495 2HG GLN 63 1HG GLN 63 14.215 8.113 -8.885
496 1HE2 GLN 63 2HE2 GLN 63 14.214 6.962 -12.168
497 2HE2 GLN 63 1HE2 GLN 63 15.105 7.730 -10.926
498 H LEU 64 H LEU 64 13.199 8.100 -4.398
499 HA LEU 64 HA LEU 64 10.809 8.848 -3.775
500 1HB LEU 64 2HB LEU 64 11.891 11.127 -3.155
501 2HB LEU 64 1HB LEU 64 12.514 9.652 -2.484
502 HG LEU 64 HG LEU 64 14.235 11.330 -3.135
503 1HD1 LEU 64 2HD1 LEU 64 14.942 8.958 -3.007
504 2HD1 LEU 64 1HD1 LEU 64 14.691 8.788 -4.743
505 3HD1 LEU 64 3HD1 LEU 64 15.865 9.910 -4.147
506 1HD2 LEU 64 1HD2 LEU 64 13.410 10.640 -5.974
507 2HD2 LEU 64 3HD2 LEU 64 13.223 12.194 -5.189
508 3HD2 LEU 64 2HD2 LEU 64 14.826 11.586 -5.544
509 H LEU 65 H LEU 65 9.217 8.944 -5.405
510 HA LEU 65 HA LEU 65 9.050 10.733 -7.565
511 1HB LEU 65 2HB LEU 65 7.035 9.255 -5.859
512 2HB LEU 65 1HB LEU 65 6.387 10.422 -6.976
513 HG LEU 65 HG LEU 65 6.330 8.152 -7.912
514 1HD1 LEU 65 3HD1 LEU 65 6.647 10.090 -9.465
515 2HD1 LEU 65 2HD1 LEU 65 8.389 9.928 -9.321
516 3HD1 LEU 65 1HD1 LEU 65 7.455 8.652 -10.050
517 1HD2 LEU 65 2HD2 LEU 65 8.343 7.248 -6.756
518 2HD2 LEU 65 1HD2 LEU 65 8.425 7.008 -8.492
519 3HD2 LEU 65 3HD2 LEU 65 9.356 8.282 -7.751
520 H MET 66 H MET 66 10.005 12.637 -6.626
521 HA MET 66 HA MET 66 8.613 14.513 -4.923
522 1HB MET 66 2HB MET 66 10.974 14.766 -6.818
523 2HB MET 66 1HB MET 66 10.399 16.109 -5.852
524 1HG MET 66 2HG MET 66 11.247 13.447 -4.670
525 2HG MET 66 1HG MET 66 12.309 14.808 -4.824
526 1HE MET 66 3HE MET 66 11.502 17.205 -3.942
527 2HE MET 66 2HE MET 66 11.272 17.266 -2.214
528 3HE MET 66 1HE MET 66 12.712 16.482 -2.855
529 H SER 67 H SER 67 8.669 14.219 -8.406
530 HA SER 67 HA SER 67 7.132 16.730 -8.783
531 1HB SER 67 2HB SER 67 7.346 16.122 -11.247
532 2HB SER 67 1HB SER 67 8.907 16.238 -10.422
533 HG SER 67 HG SER 67 7.393 13.827 -10.569
534 HA PRO 68 HA PRO 68 3.465 13.952 -8.483
535 1HB PRO 68 2HB PRO 68 1.605 15.943 -8.164
536 2HB PRO 68 1HB PRO 68 2.562 15.324 -6.815
537 1HG PRO 68 2HG PRO 68 3.251 17.705 -8.656
538 2HG PRO 68 1HG PRO 68 3.081 17.770 -6.896
539 1HD PRO 68 2HD PRO 68 5.523 17.468 -7.895
540 2HD PRO 68 1HD PRO 68 5.071 16.330 -6.604
541 H GLY 69 H GLY 69 2.176 13.342 -10.065
542 1HA GLY 69 2HA GLY 69 0.778 13.834 -12.138
543 2HA GLY 69 1HA GLY 69 2.007 14.972 -12.611
544 H GLN 70 H GLN 70 3.222 11.937 -11.547
545 HA GLN 70 HA GLN 70 3.643 11.120 -14.391
546 1HB GLN 70 2HB GLN 70 5.420 10.743 -11.947
547 2HB GLN 70 1HB GLN 70 5.777 10.049 -13.516
548 1HG GLN 70 2HG GLN 70 5.596 12.605 -14.360
549 2HG GLN 70 1HG GLN 70 5.889 12.982 -12.671
550 1HE2 GLN 70 2HE2 GLN 70 9.326 12.344 -13.215
551 2HE2 GLN 70 1HE2 GLN 70 8.232 13.197 -12.239
552 H SER 71 H SER 71 3.456 9.039 -14.961
553 HA SER 71 HA SER 71 2.093 7.124 -13.102
554 1HB SER 71 2HB SER 71 1.071 6.195 -15.222
555 2HB SER 71 1HB SER 71 0.665 7.894 -14.926
556 HG SER 71 HG SER 71 2.857 6.942 -16.499
557 H THR 72 H THR 72 3.671 5.687 -12.376
558 HA THR 72 HA THR 72 5.463 4.438 -14.489
559 HB THR 72 HB THR 72 6.727 5.610 -12.694
560 HG1 THR 72 HG1 THR 72 7.509 3.145 -12.185
561 1HG2 THR 72 1HG2 THR 72 5.228 4.824 -10.690
562 2HG2 THR 72 3HG2 THR 72 5.808 3.196 -10.997
563 3HG2 THR 72 2HG2 THR 72 6.935 4.456 -10.523
564 H SER 73 H SER 73 6.146 2.202 -14.039
565 HA SER 73 HA SER 73 3.788 0.550 -13.118
566 1HB SER 73 2HB SER 73 4.223 0.288 -15.519
567 2HB SER 73 1HB SER 73 5.845 -0.330 -15.149
568 HG SER 73 HG SER 73 3.390 -1.276 -14.069
569 H THR 74 H THR 74 4.029 -1.280 -12.014
570 HA THR 74 HA THR 74 6.733 -2.186 -11.011
571 HB THR 74 HB THR 74 4.487 -1.911 -8.934
572 HG1 THR 74 HG1 THR 74 6.247 -0.071 -10.185
573 1HG2 THR 74 3HG2 THR 74 6.763 -3.066 -8.512
574 2HG2 THR 74 2HG2 THR 74 7.532 -1.532 -8.873
575 3HG2 THR 74 1HG2 THR 74 6.452 -1.661 -7.500
576 H THR 75 H THR 75 5.196 -3.184 -12.855
577 HA THR 75 HA THR 75 3.362 -5.232 -12.359
578 HB THR 75 HB THR 75 5.456 -4.729 -14.521
579 HG1 THR 75 HG1 THR 75 3.851 -3.288 -14.643
580 1HG2 THR 75 3HG2 THR 75 3.063 -6.655 -14.701
581 2HG2 THR 75 2HG2 THR 75 4.117 -6.183 -15.999
582 3HG2 THR 75 1HG2 THR 75 4.718 -7.189 -14.697
583 H PHE 76 H PHE 76 3.401 -7.473 -12.624
584 HA PHE 76 HA PHE 76 5.723 -8.729 -11.202
585 1HB PHE 76 2HB PHE 76 2.728 -9.258 -11.119
586 2HB PHE 76 1HB PHE 76 3.898 -10.361 -10.410
587 HD1 PHE 76 HD1 PHE 76 5.526 -9.450 -8.696
588 HD2 PHE 76 HD2 PHE 76 2.111 -7.247 -9.930
589 HE1 PHE 76 HE1 PHE 76 5.724 -8.040 -6.703
590 HE2 PHE 76 HE2 PHE 76 2.327 -5.830 -7.924
591 HZ PHE 76 HZ PHE 76 4.114 -6.203 -6.334
592 HA PRO 77 HA PRO 77 5.880 -11.541 -14.735
593 1HB PRO 77 2HB PRO 77 8.661 -10.820 -15.081
594 2HB PRO 77 1HB PRO 77 7.334 -10.767 -16.243
595 1HG PRO 77 2HG PRO 77 8.472 -8.365 -15.193
596 2HG PRO 77 1HG PRO 77 6.757 -8.451 -15.607
597 1HD PRO 77 2HD PRO 77 7.968 -9.013 -12.805
598 2HD PRO 77 1HD PRO 77 6.681 -7.871 -13.237
599 H ALA 78 H ALA 78 8.452 -12.855 -14.783
600 HA ALA 78 HA ALA 78 9.509 -14.598 -13.493
601 1HB ALA 78 3HB ALA 78 10.681 -12.447 -12.559
602 2HB ALA 78 2HB ALA 78 9.383 -12.314 -11.379
603 3HB ALA 78 1HB ALA 78 10.484 -13.672 -11.314
604 H ASP 79 H ASP 79 7.448 -15.127 -14.017
605 HA ASP 79 HA ASP 79 5.010 -15.021 -13.066
606 1HB ASP 79 2HB ASP 79 6.718 -17.643 -13.702
607 2HB ASP 79 1HB ASP 79 5.036 -17.498 -14.200
608 H ALA 80 H ALA 80 5.253 -14.188 -11.490
609 HA ALA 80 HA ALA 80 5.583 -15.327 -8.913
610 1HB ALA 80 2HB ALA 80 6.156 -13.003 -9.571
611 2HB ALA 80 1HB ALA 80 4.504 -12.666 -10.002
612 3HB ALA 80 3HB ALA 80 4.936 -12.864 -8.314
613 HA PRO 81 HA PRO 81 1.804 -17.010 -8.041
614 1HB PRO 81 2HB PRO 81 2.237 -17.760 -5.532
615 2HB PRO 81 1HB PRO 81 3.532 -17.990 -6.720
616 1HG PRO 81 2HG PRO 81 3.151 -15.616 -4.808
617 2HG PRO 81 1HG PRO 81 4.604 -16.607 -4.975
618 1HD PRO 81 2HD PRO 81 4.157 -14.179 -6.391
619 2HD PRO 81 1HD PRO 81 5.275 -15.452 -6.926
620 H ALA 82 H ALA 82 0.161 -17.327 -6.084
621 HA ALA 82 HA ALA 82 -1.420 -14.832 -6.058
622 1HB ALA 82 1HB ALA 82 -2.438 -16.918 -6.872
623 2HB ALA 82 3HB ALA 82 -2.124 -17.717 -5.338
624 3HB ALA 82 2HB ALA 82 -3.279 -16.397 -5.428
625 H GLY 83 H GLY 83 -2.740 -14.388 -4.239
626 1HA GLY 83 2HA GLY 83 -3.097 -14.468 -1.697
627 2HA GLY 83 1HA GLY 83 -1.332 -14.487 -1.553
628 H GLU 84 H GLU 84 -2.130 -12.409 -0.179
629 HA GLU 84 HA GLU 84 -2.267 -10.108 -2.128
630 1HB GLU 84 2HB GLU 84 -4.195 -10.422 -0.519
631 2HB GLU 84 1HB GLU 84 -3.088 -9.990 0.772
632 1HG GLU 84 2HG GLU 84 -2.594 -7.743 -0.309
633 2HG GLU 84 1HG GLU 84 -3.282 -8.310 -1.755
634 H TYR 85 H TYR 85 -0.805 -8.641 -2.208
635 HA TYR 85 HA TYR 85 1.488 -8.656 -0.244
636 1HB TYR 85 2HB TYR 85 1.601 -7.257 -2.945
637 2HB TYR 85 1HB TYR 85 2.919 -7.820 -1.962
638 HD1 TYR 85 HD2 TYR 85 0.996 -10.719 -1.981
639 HD2 TYR 85 HD1 TYR 85 3.202 -8.238 -4.645
640 HE1 TYR 85 HE2 TYR 85 1.312 -12.612 -3.518
641 HE2 TYR 85 HE1 TYR 85 3.508 -10.164 -6.146
642 HH TYR 85 HH TYR 85 1.786 -12.945 -6.008
643 H THR 86 H THR 86 2.236 -6.678 0.613
644 HA THR 86 HA THR 86 0.356 -4.330 0.277
645 HB THR 86 HB THR 86 1.805 -5.063 2.877
646 HG1 THR 86 HG1 THR 86 0.242 -6.352 2.996
647 1HG2 THR 86 2HG2 THR 86 -0.589 -3.229 2.224
648 2HG2 THR 86 1HG2 THR 86 0.115 -3.495 3.805
649 3HG2 THR 86 3HG2 THR 86 1.004 -2.629 2.571
650 H PHE 87 H PHE 87 1.125 -2.484 -0.311
651 HA PHE 87 HA PHE 87 4.002 -1.933 -0.194
652 1HB PHE 87 2HB PHE 87 3.677 -0.576 -2.151
653 2HB PHE 87 1HB PHE 87 3.532 -2.337 -2.261
654 HD1 PHE 87 HD1 PHE 87 1.781 0.826 -2.401
655 HD2 PHE 87 HD2 PHE 87 1.487 -3.374 -2.766
656 HE1 PHE 87 HE1 PHE 87 -0.370 1.106 -3.435
657 HE2 PHE 87 HE2 PHE 87 -0.677 -3.171 -3.807
658 HZ PHE 87 HZ PHE 87 -1.675 -0.907 -4.188
659 H TYR 88 H TYR 88 4.701 -0.114 0.891
660 HA TYR 88 HA TYR 88 2.730 2.006 1.473
661 1HB TYR 88 2HB TYR 88 4.273 2.435 3.481
662 2HB TYR 88 1HB TYR 88 3.248 1.014 3.480
663 HD1 TYR 88 HD1 TYR 88 6.757 2.163 3.056
664 HD2 TYR 88 HD2 TYR 88 4.123 -1.173 3.197
665 HE1 TYR 88 HE1 TYR 88 8.673 0.624 3.279
666 HE2 TYR 88 HE2 TYR 88 6.035 -2.667 3.384
667 HH TYR 88 HH TYR 88 8.158 -2.739 3.895
668 H CYS 89 H CYS 89 3.202 4.079 1.262
669 HA CYS 89 HA CYS 89 5.240 4.971 -0.630
670 1HB CYS 89 2HB CYS 89 2.796 5.783 -0.213
671 2HB CYS 89 1HB CYS 89 3.516 6.632 1.121
672 H GLU 90 H GLU 90 6.971 4.142 0.863
673 HA GLU 90 HA GLU 90 8.126 4.574 3.083
674 1HB GLU 90 2HB GLU 90 9.341 3.932 1.194
675 2HB GLU 90 1HB GLU 90 9.331 5.519 0.488
676 1HG GLU 90 2HG GLU 90 10.918 6.340 2.146
677 2HG GLU 90 1HG GLU 90 10.563 5.070 3.288
678 HA PRO 91 HA PRO 91 8.895 9.343 3.696
679 1HB PRO 91 2HB PRO 91 7.598 10.990 1.866
680 2HB PRO 91 1HB PRO 91 9.277 10.470 1.705
681 1HG PRO 91 2HG PRO 91 6.793 9.115 0.483
682 2HG PRO 91 1HG PRO 91 8.264 9.615 -0.357
683 1HD PRO 91 2HD PRO 91 8.053 7.098 0.370
684 2HD PRO 91 1HD PRO 91 9.604 7.908 0.692
685 H HIS 92 HN HIP 92 5.804 8.632 2.209
686 HA HIS 92 HA HIP 92 4.372 9.581 4.695
687 1HB HIS 92 2HB HIP 92 2.887 8.766 2.191
688 2HB HIS 92 1HB HIP 92 2.444 9.931 3.409
689 HD2 HIS 92 HD2 HIP 92 4.078 12.443 3.242
690 HE1 HIS 92 HE1 HIP 92 4.451 11.990 -0.898
691 HE2 HIS 92 HE2 HIP 92 4.670 13.525 0.975
692 H ARG 93 H ARG 93 5.784 7.249 4.496
693 HA ARG 93 HA ARG 93 4.944 4.746 4.063
694 1HB ARG 93 2HB ARG 93 6.832 6.001 5.722
695 2HB ARG 93 1HB ARG 93 5.927 5.077 6.863
696 1HG ARG 93 2HG ARG 93 6.555 2.959 5.963
697 2HG ARG 93 1HG ARG 93 6.774 3.632 4.364
698 1HD ARG 93 2HD ARG 93 8.919 2.872 5.464
699 2HD ARG 93 1HD ARG 93 8.947 4.517 4.894
700 HE ARG 93 HE ARG 93 8.268 3.991 7.788
701 1HH1 ARG 93 2HH1 ARG 93 8.826 6.455 5.982
702 2HH1 ARG 93 1HH1 ARG 93 10.185 7.077 6.823
703 1HH2 ARG 93 1HH2 ARG 93 10.545 4.046 8.451
704 2HH2 ARG 93 2HH2 ARG 93 11.270 5.606 8.253
705 H GLY 94 H GLY 94 4.618 3.162 6.056
706 1HA GLY 94 2HA GLY 94 2.253 2.076 6.373
707 2HA GLY 94 1HA GLY 94 3.174 2.307 7.818
708 H ALA 95 H ALA 95 2.499 5.230 7.723
709 HA ALA 95 HA ALA 95 -0.092 4.980 9.050
710 1HB ALA 95 3HB ALA 95 1.880 5.939 10.328
711 2HB ALA 95 2HB ALA 95 2.062 7.154 9.067
712 3HB ALA 95 1HB ALA 95 0.661 7.202 10.118
713 H GLY 96 H GLY 96 0.854 6.130 6.375
714 1HA GLY 96 2HA GLY 96 -1.739 7.661 5.947
715 2HA GLY 96 1HA GLY 96 -0.260 8.370 5.373
716 H MET 97 H MET 97 0.909 6.671 3.876
717 HA MET 97 HA MET 97 -1.107 6.038 1.753
718 1HB MET 97 2HB MET 97 1.738 6.925 1.718
719 2HB MET 97 1HB MET 97 0.899 6.477 0.242
720 1HG MET 97 2HG MET 97 -0.851 8.224 0.941
721 2HG MET 97 1HG MET 97 0.260 8.742 2.159
722 1HE MET 97 1HE MET 97 -0.757 8.469 -1.370
723 2HE MET 97 3HE MET 97 -1.079 10.179 -1.063
724 3HE MET 97 2HE MET 97 0.145 9.691 -2.231
725 H VAL 98 H VAL 98 -1.451 3.936 2.643
726 HA VAL 98 HA VAL 98 0.614 1.893 1.828
727 HB VAL 98 HB VAL 98 -1.592 1.536 3.824
728 1HG1 VAL 98 2HG1 VAL 98 0.878 -0.136 3.131
729 2HG1 VAL 98 1HG1 VAL 98 -0.244 -0.477 4.441
730 3HG1 VAL 98 3HG1 VAL 98 -0.784 -0.576 2.777
731 1HG2 VAL 98 2HG2 VAL 98 1.379 2.079 4.260
732 2HG2 VAL 98 1HG2 VAL 98 0.072 3.188 4.636
733 3HG2 VAL 98 3HG2 VAL 98 0.206 1.685 5.516
734 H GLY 99 H GLY 99 0.007 0.369 0.186
735 1HA GLY 99 2HA GLY 99 -2.941 0.043 -0.392
736 2HA GLY 99 1HA GLY 99 -1.800 0.260 -1.702
737 H LYS 100 H LYS 100 -3.523 -1.893 -1.430
738 HA LYS 100 HA LYS 100 -1.569 -4.134 -1.125
739 1HB LYS 100 2HB LYS 100 -4.414 -3.888 -0.093
740 2HB LYS 100 1HB LYS 100 -3.593 -5.437 -0.238
741 1HG LYS 100 2HG LYS 100 -1.701 -4.588 1.141
742 2HG LYS 100 1HG LYS 100 -2.455 -3.022 1.243
743 1HD LYS 100 2HD LYS 100 -2.736 -4.425 3.342
744 2HD LYS 100 1HD LYS 100 -4.209 -3.755 2.676
745 1HE LYS 100 2HE LYS 100 -4.495 -6.114 3.366
746 2HE LYS 100 1HE LYS 100 -4.773 -5.843 1.653
747 1HZ LYS 100 3HZ LYS 100 -1.988 -6.330 2.032
748 2HZ LYS 100 2HZ LYS 100 -2.847 -7.570 2.813
749 3HZ LYS 100 1HZ LYS 100 -3.175 -7.275 1.206
750 H ILE 101 H ILE 101 -1.438 -5.578 -2.562
751 HA ILE 101 HA ILE 101 -3.294 -5.596 -4.936
752 HB ILE 101 HB ILE 101 -0.628 -5.069 -5.088
753 1HG1 ILE 101 2HG1 ILE 101 -2.467 -6.614 -6.934
754 2HG1 ILE 101 1HG1 ILE 101 -2.006 -4.936 -7.013
755 1HG2 ILE 101 1HG2 ILE 101 0.010 -7.369 -4.143
756 2HG2 ILE 101 3HG2 ILE 101 -0.736 -8.095 -5.547
757 3HG2 ILE 101 2HG2 ILE 101 0.677 -7.084 -5.741
758 1HD1 ILE 101 3HD1 ILE 101 0.344 -5.600 -7.703
759 2HD1 ILE 101 2HD1 ILE 101 -0.130 -7.287 -7.692
760 3HD1 ILE 101 1HD1 ILE 101 -0.824 -6.197 -8.843
761 H THR 102 H THR 102 -4.612 -7.311 -4.886
762 HA THR 102 HA THR 102 -3.879 -9.828 -3.404
763 HB THR 102 HB THR 102 -6.621 -9.858 -4.621
764 HG1 THR 102 HG1 THR 102 -5.628 -7.704 -3.118
765 1HG2 THR 102 2HG2 THR 102 -5.804 -11.221 -2.610
766 2HG2 THR 102 1HG2 THR 102 -5.709 -9.710 -1.723
767 3HG2 THR 102 3HG2 THR 102 -7.261 -10.289 -2.329
768 H VAL 103 H VAL 103 -2.734 -11.154 -4.745
769 HA VAL 103 HA VAL 103 -3.490 -11.252 -7.620
770 HB VAL 103 HB VAL 103 -1.224 -12.774 -6.243
771 1HG1 VAL 103 3HG1 VAL 103 -1.726 -13.292 -8.583
772 2HG1 VAL 103 2HG1 VAL 103 -1.469 -11.597 -8.981
773 3HG1 VAL 103 1HG1 VAL 103 -0.133 -12.572 -8.387
774 1HG2 VAL 103 1HG2 VAL 103 -1.052 -9.886 -7.060
775 2HG2 VAL 103 3HG2 VAL 103 -0.897 -10.522 -5.444
776 3HG2 VAL 103 2HG2 VAL 103 0.307 -10.914 -6.649
777 H ALA 104 H ALA 104 -5.062 -12.538 -8.117
778 HA ALA 104 HA ALA 104 -5.263 -15.205 -6.731
779 1HB ALA 104 3HB ALA 104 -7.520 -13.287 -7.480
780 2HB ALA 104 2HB ALA 104 -7.756 -14.881 -6.777
781 3HB ALA 104 1HB ALA 104 -6.943 -13.621 -5.857
782 H GLY 105 HN GLY 105 -7.050 -13.794 -9.388
783 1HA GLY 105 2HA GLY 105 -6.118 -15.777 -11.378
784 2HA GLY 105 1HA GLY 105 -7.850 -15.637 -11.055
No H/Q in entry = 784
Start of MODEL 4
1 1H GLU 1 1H GLU 1 -4.458 -6.291 -14.782
2 2H GLU 1 3H GLU 1 -5.689 -6.925 -15.763
3 3H GLU 1 2H GLU 1 -4.184 -7.655 -15.694
4 HA GLU 1 HA GLU 1 -3.331 -6.365 -17.267
5 1HB GLU 1 2HB GLU 1 -6.112 -5.018 -17.340
6 2HB GLU 1 1HB GLU 1 -4.960 -5.032 -18.649
7 1HG GLU 1 2HG GLU 1 -6.817 -6.653 -19.103
8 2HG GLU 1 1HG GLU 1 -5.331 -7.536 -18.943
9 H THR 2 H THR 2 -2.660 -3.923 -17.695
10 HA THR 2 HA THR 2 -1.853 -2.609 -15.395
11 HB THR 2 HB THR 2 -2.494 -1.358 -18.151
12 HG1 THR 2 HG1 THR 2 -0.013 -2.184 -17.175
13 1HG2 THR 2 1HG2 THR 2 -0.308 -0.640 -16.110
14 2HG2 THR 2 3HG2 THR 2 -0.632 0.147 -17.640
15 3HG2 THR 2 2HG2 THR 2 -1.757 0.323 -16.311
16 H TYR 3 H TYR 3 -3.597 -2.741 -14.026
17 HA TYR 3 HA TYR 3 -5.877 -0.879 -14.395
18 1HB TYR 3 2HB TYR 3 -5.206 -2.171 -11.721
19 2HB TYR 3 1HB TYR 3 -6.768 -1.732 -12.338
20 HD1 TYR 3 HD1 TYR 3 -7.267 -3.233 -14.769
21 HD2 TYR 3 HD2 TYR 3 -4.928 -4.331 -11.406
22 HE1 TYR 3 HE1 TYR 3 -7.574 -5.646 -15.309
23 HE2 TYR 3 HE2 TYR 3 -5.242 -6.691 -11.962
24 HH TYR 3 HH TYR 3 -5.629 -7.976 -13.684
25 H THR 4 H THR 4 -4.757 1.153 -14.593
26 HA THR 4 HA THR 4 -2.934 2.327 -12.789
27 HB THR 4 HB THR 4 -5.120 3.609 -14.515
28 HG1 THR 4 HG1 THR 4 -2.395 3.937 -14.904
29 1HG2 THR 4 2HG2 THR 4 -2.694 4.946 -13.215
30 2HG2 THR 4 1HG2 THR 4 -3.803 5.694 -14.337
31 3HG2 THR 4 3HG2 THR 4 -4.338 5.260 -12.719
32 H VAL 5 H VAL 5 -3.030 2.361 -10.802
33 HA VAL 5 HA VAL 5 -5.437 3.272 -9.259
34 HB VAL 5 HB VAL 5 -3.049 1.475 -8.608
35 1HG1 VAL 5 1HG1 VAL 5 -3.489 2.935 -6.588
36 2HG1 VAL 5 3HG1 VAL 5 -5.173 2.453 -6.627
37 3HG1 VAL 5 2HG1 VAL 5 -3.929 1.267 -6.288
38 1HG2 VAL 5 1HG2 VAL 5 -6.075 1.059 -8.440
39 2HG2 VAL 5 3HG2 VAL 5 -5.028 0.437 -9.690
40 3HG2 VAL 5 2HG2 VAL 5 -4.867 -0.158 -8.051
41 H LYS 6 H LYS 6 -5.035 4.878 -7.590
42 HA LYS 6 HA LYS 6 -2.472 6.408 -8.047
43 1HB LYS 6 2HB LYS 6 -5.276 7.427 -7.655
44 2HB LYS 6 1HB LYS 6 -3.855 8.391 -7.291
45 1HG LYS 6 2HG LYS 6 -3.038 8.090 -9.591
46 2HG LYS 6 1HG LYS 6 -4.482 7.181 -9.997
47 1HD LYS 6 2HD LYS 6 -4.801 9.565 -10.682
48 2HD LYS 6 1HD LYS 6 -5.886 9.217 -9.363
49 1HE LYS 6 2HE LYS 6 -3.169 10.480 -8.854
50 2HE LYS 6 1HE LYS 6 -4.562 11.467 -9.269
51 1HZ LYS 6 3HZ LYS 6 -5.344 9.595 -7.243
52 2HZ LYS 6 2HZ LYS 6 -4.009 10.339 -6.690
53 3HZ LYS 6 1HZ LYS 6 -5.331 11.193 -7.054
54 H LEU 7 H LEU 7 -1.812 7.845 -6.625
55 HA LEU 7 HA LEU 7 -2.140 7.145 -3.733
56 1HB LEU 7 2HB LEU 7 0.461 7.957 -3.781
57 2HB LEU 7 1HB LEU 7 0.008 6.304 -4.063
58 HG LEU 7 HG LEU 7 0.114 8.160 -6.424
59 1HD1 LEU 7 1HD1 LEU 7 2.535 6.892 -5.075
60 2HD1 LEU 7 3HD1 LEU 7 2.554 7.688 -6.640
61 3HD1 LEU 7 2HD1 LEU 7 2.178 8.613 -5.201
62 1HD2 LEU 7 3HD2 LEU 7 -0.542 5.709 -6.650
63 2HD2 LEU 7 2HD2 LEU 7 0.943 6.061 -7.509
64 3HD2 LEU 7 1HD2 LEU 7 0.999 5.263 -5.947
65 H GLY 8 H GLY 8 -3.733 8.951 -4.009
66 1HA GLY 8 2HA GLY 8 -3.798 10.978 -2.442
67 2HA GLY 8 1HA GLY 8 -2.518 11.649 -3.422
68 H SER 9 H SER 9 -5.486 12.158 -2.687
69 HA SER 9 HA SER 9 -6.489 12.934 -5.397
70 1HB SER 9 2HB SER 9 -8.762 12.898 -4.278
71 2HB SER 9 1HB SER 9 -7.964 11.322 -4.229
72 HG SER 9 HG SER 9 -7.820 11.505 -2.142
73 H ASP 10 H ASP 10 -4.691 14.472 -4.398
74 HA ASP 10 HA ASP 10 -4.237 16.505 -3.105
75 1HB ASP 10 2HB ASP 10 -5.122 16.601 -5.992
76 2HB ASP 10 1HB ASP 10 -4.458 18.047 -5.242
77 H LYS 11 H LYS 11 -7.523 16.934 -4.332
78 HA LYS 11 HA LYS 11 -7.795 19.257 -2.419
79 1HB LYS 11 2HB LYS 11 -8.326 19.467 -4.950
80 2HB LYS 11 1HB LYS 11 -9.715 18.448 -4.669
81 1HG LYS 11 2HG LYS 11 -9.759 20.516 -2.618
82 2HG LYS 11 1HG LYS 11 -9.303 21.322 -4.091
83 1HD LYS 11 2HD LYS 11 -11.712 21.433 -3.990
84 2HD LYS 11 1HD LYS 11 -11.323 20.260 -5.241
85 1HE LYS 11 2HE LYS 11 -11.671 18.401 -3.610
86 2HE LYS 11 1HE LYS 11 -12.014 19.579 -2.346
87 1HZ LYS 11 1HZ LYS 11 -13.593 20.229 -4.596
88 2HZ LYS 11 3HZ LYS 11 -13.796 18.570 -4.306
89 3HZ LYS 11 2HZ LYS 11 -14.126 19.692 -3.080
90 H GLY 12 H GLY 12 -7.900 16.326 -2.074
91 1HA GLY 12 2HA GLY 12 -10.281 16.079 -0.261
92 2HA GLY 12 1HA GLY 12 -9.869 14.755 -1.355
93 H LEU 13 H LEU 13 -7.938 13.559 -0.928
94 HA LEU 13 HA LEU 13 -6.497 14.156 1.589
95 1HB LEU 13 2HB LEU 13 -8.353 11.841 1.110
96 2HB LEU 13 1HB LEU 13 -6.938 11.500 2.072
97 HG LEU 13 HG LEU 13 -8.913 13.744 2.712
98 1HD1 LEU 13 2HD1 LEU 13 -8.550 10.952 3.916
99 2HD1 LEU 13 1HD1 LEU 13 -9.665 12.180 4.486
100 3HD1 LEU 13 3HD1 LEU 13 -9.903 11.448 2.914
101 1HD2 LEU 13 1HD2 LEU 13 -6.675 12.407 4.335
102 2HD2 LEU 13 3HD2 LEU 13 -6.578 14.025 3.653
103 3HD2 LEU 13 2HD2 LEU 13 -7.743 13.676 4.902
104 H LEU 14 H LEU 14 -4.542 13.016 1.958
105 HA LEU 14 HA LEU 14 -3.132 12.231 -0.578
106 1HB LEU 14 2HB LEU 14 -2.004 12.689 2.222
107 2HB LEU 14 1HB LEU 14 -1.094 12.616 0.733
108 HG LEU 14 HG LEU 14 -3.123 14.793 1.460
109 1HD1 LEU 14 3HD1 LEU 14 -0.927 14.892 2.642
110 2HD1 LEU 14 2HD1 LEU 14 -0.097 14.804 1.101
111 3HD1 LEU 14 1HD1 LEU 14 -1.092 16.197 1.486
112 1HD2 LEU 14 2HD2 LEU 14 -1.328 14.481 -0.994
113 2HD2 LEU 14 1HD2 LEU 14 -3.077 14.323 -1.015
114 3HD2 LEU 14 3HD2 LEU 14 -2.352 15.861 -0.633
115 H VAL 15 H VAL 15 -4.740 10.442 -0.273
116 HA VAL 15 HA VAL 15 -3.595 8.072 1.167
117 HB VAL 15 HB VAL 15 -5.958 7.223 1.145
118 1HG1 VAL 15 2HG1 VAL 15 -5.555 10.041 2.225
119 2HG1 VAL 15 1HG1 VAL 15 -6.793 8.916 2.756
120 3HG1 VAL 15 3HG1 VAL 15 -5.094 8.568 3.038
121 1HG2 VAL 15 1HG2 VAL 15 -6.705 8.478 -0.946
122 2HG2 VAL 15 3HG2 VAL 15 -7.751 8.794 0.421
123 3HG2 VAL 15 2HG2 VAL 15 -6.574 9.987 -0.070
124 H PHE 16 H PHE 16 -5.055 6.098 -0.084
125 HA PHE 16 HA PHE 16 -3.841 5.930 -2.826
126 1HB PHE 16 2HB PHE 16 -4.205 3.900 -0.609
127 2HB PHE 16 1HB PHE 16 -4.343 3.342 -2.266
128 HD1 PHE 16 HD1 PHE 16 -2.413 4.323 -3.862
129 HD2 PHE 16 HD2 PHE 16 -2.054 3.574 0.304
130 HE1 PHE 16 HE1 PHE 16 0.005 4.063 -4.128
131 HE2 PHE 16 HE2 PHE 16 0.390 3.314 0.023
132 HZ PHE 16 HZ PHE 16 1.405 3.560 -2.172
133 H GLU 17 H GLU 17 -5.210 6.000 -4.417
134 HA GLU 17 HA GLU 17 -8.115 5.443 -4.088
135 1HB GLU 17 2HB GLU 17 -6.648 6.766 -6.363
136 2HB GLU 17 1HB GLU 17 -8.369 6.798 -6.104
137 1HG GLU 17 2HG GLU 17 -8.231 8.598 -4.628
138 2HG GLU 17 1HG GLU 17 -6.866 7.925 -3.763
139 HA PRO 18 HA PRO 18 -9.123 3.773 -3.750
140 1HB PRO 18 2HB PRO 18 -10.633 1.727 -4.218
141 2HB PRO 18 1HB PRO 18 -10.594 3.057 -5.395
142 1HG PRO 18 2HG PRO 18 -9.162 0.342 -5.589
143 2HG PRO 18 1HG PRO 18 -9.987 1.236 -6.868
144 1HD PRO 18 2HD PRO 18 -7.170 1.364 -6.234
145 2HD PRO 18 1HD PRO 18 -8.047 2.388 -7.394
146 H ALA 19 H ALA 19 -6.613 2.962 -3.094
147 HA ALA 19 HA ALA 19 -5.365 1.884 -1.434
148 1HB ALA 19 3HB ALA 19 -7.246 2.663 -0.086
149 2HB ALA 19 2HB ALA 19 -8.175 1.226 -0.442
150 3HB ALA 19 1HB ALA 19 -6.715 1.105 0.520
151 H LYS 20 H LYS 20 -7.873 -0.316 -2.196
152 HA LYS 20 HA LYS 20 -5.922 -2.631 -2.235
153 1HB LYS 20 2HB LYS 20 -7.922 -4.053 -1.614
154 2HB LYS 20 1HB LYS 20 -7.246 -2.979 -0.426
155 1HG LYS 20 2HG LYS 20 -9.473 -2.566 -0.092
156 2HG LYS 20 1HG LYS 20 -9.138 -1.280 -1.204
157 1HD LYS 20 2HD LYS 20 -9.887 -3.454 -2.918
158 2HD LYS 20 1HD LYS 20 -10.844 -3.726 -1.493
159 1HE LYS 20 2HE LYS 20 -12.202 -2.308 -2.840
160 2HE LYS 20 1HE LYS 20 -11.552 -1.260 -1.575
161 1HZ LYS 20 1HZ LYS 20 -9.704 -1.573 -3.722
162 2HZ LYS 20 3HZ LYS 20 -11.130 -0.961 -4.346
163 3HZ LYS 20 2HZ LYS 20 -10.274 -0.138 -3.109
164 H LEU 21 H LEU 21 -5.519 -3.539 -4.061
165 HA LEU 21 HA LEU 21 -7.438 -3.669 -6.370
166 1HB LEU 21 2HB LEU 21 -5.465 -2.243 -6.640
167 2HB LEU 21 1HB LEU 21 -4.493 -3.645 -6.411
168 HG LEU 21 HG LEU 21 -4.999 -2.907 -8.919
169 1HD1 LEU 21 1HD1 LEU 21 -5.132 -5.852 -8.051
170 2HD1 LEU 21 3HD1 LEU 21 -4.882 -5.304 -9.651
171 3HD1 LEU 21 2HD1 LEU 21 -3.732 -4.901 -8.409
172 1HD2 LEU 21 1HD2 LEU 21 -7.521 -3.030 -8.881
173 2HD2 LEU 21 3HD2 LEU 21 -6.795 -4.127 -10.025
174 3HD2 LEU 21 2HD2 LEU 21 -7.419 -4.749 -8.559
175 H THR 22 H THR 22 -7.857 -5.768 -7.293
176 HA THR 22 HA THR 22 -6.179 -8.098 -6.328
177 HB THR 22 HB THR 22 -9.043 -8.159 -7.448
178 HG1 THR 22 HG1 THR 22 -7.738 -8.295 -4.908
179 1HG2 THR 22 2HG2 THR 22 -7.318 -10.206 -5.933
180 2HG2 THR 22 1HG2 THR 22 -8.930 -10.456 -6.575
181 3HG2 THR 22 3HG2 THR 22 -7.564 -10.314 -7.671
182 H ILE 23 H ILE 23 -4.774 -8.654 -7.824
183 HA ILE 23 HA ILE 23 -5.243 -8.265 -10.698
184 HB ILE 23 HB ILE 23 -2.681 -8.908 -10.901
185 1HG1 ILE 23 2HG1 ILE 23 -2.469 -7.989 -8.063
186 2HG1 ILE 23 1HG1 ILE 23 -2.763 -9.664 -8.468
187 1HG2 ILE 23 2HG2 ILE 23 -3.370 -6.630 -11.313
188 2HG2 ILE 23 1HG2 ILE 23 -3.175 -6.329 -9.583
189 3HG2 ILE 23 3HG2 ILE 23 -1.813 -6.777 -10.552
190 1HD1 ILE 23 2HD1 ILE 23 -0.450 -8.038 -9.693
191 2HD1 ILE 23 1HD1 ILE 23 -0.220 -9.135 -8.371
192 3HD1 ILE 23 3HD1 ILE 23 -0.762 -9.737 -9.919
193 H LYS 24 H LYS 24 -4.160 -9.745 -12.162
194 HA LYS 24 HA LYS 24 -4.994 -12.341 -11.316
195 1HB LYS 24 2HB LYS 24 -3.695 -11.300 -13.880
196 2HB LYS 24 1HB LYS 24 -4.492 -12.856 -13.755
197 1HG LYS 24 2HG LYS 24 -6.650 -11.888 -13.398
198 2HG LYS 24 1HG LYS 24 -6.007 -10.294 -13.101
199 1HD LYS 24 2HD LYS 24 -5.310 -10.048 -15.255
200 2HD LYS 24 1HD LYS 24 -5.306 -11.756 -15.621
201 1HE LYS 24 2HE LYS 24 -7.249 -10.904 -16.767
202 2HE LYS 24 1HE LYS 24 -7.822 -11.807 -15.359
203 1HZ LYS 24 2HZ LYS 24 -7.243 -9.081 -14.695
204 2HZ LYS 24 1HZ LYS 24 -8.234 -9.088 -15.977
205 3HZ LYS 24 3HZ LYS 24 -8.721 -9.874 -14.530
206 HA PRO 25 HA PRO 25 -0.760 -14.121 -10.416
207 1HB PRO 25 2HB PRO 25 -0.154 -15.492 -12.846
208 2HB PRO 25 1HB PRO 25 -0.876 -16.157 -11.386
209 1HG PRO 25 2HG PRO 25 -2.326 -14.966 -13.824
210 2HG PRO 25 1HG PRO 25 -2.697 -16.474 -12.984
211 1HD PRO 25 2HD PRO 25 -4.202 -14.391 -12.384
212 2HD PRO 25 1HD PRO 25 -3.496 -15.243 -11.002
213 H GLY 26 H GLY 26 -0.202 -11.660 -10.602
214 1HA GLY 26 2HA GLY 26 2.051 -10.638 -10.849
215 2HA GLY 26 1HA GLY 26 2.162 -11.341 -12.456
216 H ASP 27 H ASP 27 0.293 -10.586 -13.834
217 HA ASP 27 HA ASP 27 -0.576 -8.812 -15.112
218 1HB ASP 27 2HB ASP 27 -1.842 -9.165 -12.792
219 2HB ASP 27 1HB ASP 27 -1.206 -7.590 -12.407
220 H THR 28 H THR 28 -0.707 -6.361 -15.288
221 HA THR 28 HA THR 28 1.951 -5.095 -15.098
222 HB THR 28 HB THR 28 -0.091 -4.546 -17.207
223 HG1 THR 28 HG1 THR 28 2.264 -6.084 -16.799
224 1HG2 THR 28 1HG2 THR 28 1.924 -2.803 -16.754
225 2HG2 THR 28 3HG2 THR 28 2.965 -4.177 -16.965
226 3HG2 THR 28 2HG2 THR 28 1.964 -3.620 -18.296
227 H VAL 29 H VAL 29 -0.187 -4.750 -13.281
228 HA VAL 29 HA VAL 29 -1.638 -2.294 -13.390
229 HB VAL 29 HB VAL 29 -0.315 -3.588 -10.951
230 1HG1 VAL 29 2HG1 VAL 29 -2.711 -1.644 -11.052
231 2HG1 VAL 29 1HG1 VAL 29 -2.087 -2.407 -9.606
232 3HG1 VAL 29 3HG1 VAL 29 -1.128 -1.215 -10.457
233 1HG2 VAL 29 1HG2 VAL 29 -3.116 -3.757 -12.151
234 2HG2 VAL 29 3HG2 VAL 29 -1.937 -5.051 -12.176
235 3HG2 VAL 29 2HG2 VAL 29 -2.637 -4.522 -10.651
236 H GLU 30 H GLU 30 -1.463 -0.280 -12.994
237 HA GLU 30 HA GLU 30 1.253 0.775 -12.748
238 1HB GLU 30 2HB GLU 30 0.209 0.997 -14.917
239 2HB GLU 30 1HB GLU 30 -1.185 1.780 -14.212
240 1HG GLU 30 2HG GLU 30 1.495 3.109 -13.765
241 2HG GLU 30 1HG GLU 30 0.794 3.210 -15.361
242 H PHE 31 H PHE 31 1.696 2.335 -11.369
243 HA PHE 31 HA PHE 31 -0.406 3.239 -9.377
244 1HB PHE 31 2HB PHE 31 2.573 3.234 -8.841
245 2HB PHE 31 1HB PHE 31 1.281 3.472 -7.707
246 HD1 PHE 31 HD2 PHE 31 -0.327 0.954 -9.087
247 HD2 PHE 31 HD1 PHE 31 3.478 1.610 -7.310
248 HE1 PHE 31 HE2 PHE 31 -0.214 -1.411 -8.443
249 HE2 PHE 31 HE1 PHE 31 3.592 -0.750 -6.667
250 HZ PHE 31 HZ PHE 31 1.743 -2.269 -7.231
251 H LEU 32 H LEU 32 -0.974 5.335 -9.836
252 HA LEU 32 HA LEU 32 1.004 7.250 -10.854
253 1HB LEU 32 2HB LEU 32 -0.939 6.598 -12.258
254 2HB LEU 32 1HB LEU 32 -2.014 7.248 -11.090
255 HG LEU 32 HG LEU 32 0.155 9.091 -12.206
256 1HD1 LEU 32 1HD1 LEU 32 -2.481 8.334 -13.555
257 2HD1 LEU 32 3HD1 LEU 32 -1.369 9.581 -14.103
258 3HD1 LEU 32 2HD1 LEU 32 -0.896 7.892 -14.141
259 1HD2 LEU 32 2HD2 LEU 32 -1.506 9.832 -10.420
260 2HD2 LEU 32 1HD2 LEU 32 -1.641 10.741 -11.913
261 3HD2 LEU 32 3HD2 LEU 32 -2.800 9.472 -11.550
262 H ASN 33 H ASN 33 1.632 8.943 -9.913
263 HA ASN 33 HA ASN 33 1.123 9.665 -7.204
264 1HB ASN 33 2HB ASN 33 2.672 10.812 -9.495
265 2HB ASN 33 1HB ASN 33 2.545 11.760 -8.029
266 1HD2 ASN 33 2HD2 ASN 33 4.922 8.592 -8.068
267 2HD2 ASN 33 1HD2 ASN 33 3.934 8.938 -9.429
268 H ASN 34 H ASN 34 1.053 11.938 -6.584
269 HA ASN 34 HA ASN 34 -1.411 13.341 -7.573
270 1HB ASN 34 2HB ASN 34 -2.279 13.188 -5.400
271 2HB ASN 34 1HB ASN 34 -1.082 11.941 -5.146
272 1HD2 ASN 34 2HD2 ASN 34 -0.772 15.240 -3.066
273 2HD2 ASN 34 1HD2 ASN 34 -2.136 14.914 -4.026
274 H LYS 35 H LYS 35 -1.086 15.610 -6.028
275 HA LYS 35 HA LYS 35 1.465 16.757 -7.146
276 1HB LYS 35 2HB LYS 35 -0.488 17.590 -8.176
277 2HB LYS 35 1HB LYS 35 -1.355 17.810 -6.719
278 1HG LYS 35 2HG LYS 35 1.000 19.563 -6.527
279 2HG LYS 35 1HG LYS 35 0.534 19.548 -8.183
280 1HD LYS 35 2HD LYS 35 -0.596 21.382 -6.748
281 2HD LYS 35 1HD LYS 35 -1.596 20.467 -7.847
282 1HE LYS 35 2HE LYS 35 -2.571 20.883 -5.506
283 2HE LYS 35 1HE LYS 35 -2.646 19.234 -6.087
284 1HZ LYS 35 2HZ LYS 35 -0.133 19.554 -4.845
285 2HZ LYS 35 1HZ LYS 35 -1.313 20.116 -3.744
286 3HZ LYS 35 3HZ LYS 35 -1.412 18.587 -4.437
287 H VAL 36 H VAL 36 1.363 15.368 -4.699
288 HA VAL 36 HA VAL 36 2.611 17.339 -2.842
289 HB VAL 36 HB VAL 36 0.526 15.348 -1.822
290 1HG1 VAL 36 2HG1 VAL 36 1.957 17.714 -0.521
291 2HG1 VAL 36 1HG1 VAL 36 0.749 16.718 0.262
292 3HG1 VAL 36 3HG1 VAL 36 2.280 16.019 -0.214
293 1HG2 VAL 36 1HG2 VAL 36 0.282 18.384 -2.169
294 2HG2 VAL 36 3HG2 VAL 36 -0.600 17.201 -3.123
295 3HG2 VAL 36 2HG2 VAL 36 -0.928 17.363 -1.409
296 HA PRO 37 HA PRO 37 4.724 13.253 -3.134
297 1HB PRO 37 2HB PRO 37 6.396 13.649 -5.180
298 2HB PRO 37 1HB PRO 37 4.670 13.854 -5.470
299 1HG PRO 37 2HG PRO 37 6.725 16.044 -4.776
300 2HG PRO 37 1HG PRO 37 5.626 16.026 -6.152
301 1HD PRO 37 2HD PRO 37 5.096 17.204 -3.594
302 2HD PRO 37 1HD PRO 37 3.850 16.832 -4.810
303 HA PRO 38 HA PRO 38 7.013 12.265 -3.955
304 1HB PRO 38 2HB PRO 38 9.280 11.098 -3.341
305 2HB PRO 38 1HB PRO 38 9.292 12.826 -3.728
306 1HG PRO 38 2HG PRO 38 9.312 11.553 -0.937
307 2HG PRO 38 1HG PRO 38 10.302 12.890 -1.523
308 1HD PRO 38 2HD PRO 38 7.749 13.107 -0.161
309 2HD PRO 38 1HD PRO 38 8.614 14.444 -0.944
310 H HIS 39 HN HIP 39 6.131 10.343 -4.205
311 HA HIS 39 HA HIP 39 5.402 8.804 -1.735
312 1HB HIS 39 2HB HIP 39 4.068 8.850 -4.452
313 2HB HIS 39 1HB HIP 39 3.455 7.932 -3.082
314 HD2 HIS 39 HD2 HIP 39 3.027 11.213 -4.749
315 HE1 HIS 39 HE1 HIP 39 1.868 11.928 -0.815
316 HE2 HIS 39 HE2 HIP 39 1.893 12.764 -3.107
317 H ASN 40 H ASN 40 7.557 7.915 -1.913
318 HA ASN 40 HA ASN 40 8.032 5.894 -3.998
319 1HB ASN 40 2HB ASN 40 9.960 7.126 -3.025
320 2HB ASN 40 1HB ASN 40 9.487 6.631 -1.404
321 1HD2 ASN 40 2HD2 ASN 40 10.593 3.247 -2.054
322 2HD2 ASN 40 1HD2 ASN 40 9.246 3.999 -1.379
323 H VAL 41 H VAL 41 6.793 4.046 -3.929
324 HA VAL 41 HA VAL 41 5.946 3.100 -1.251
325 HB VAL 41 HB VAL 41 4.793 1.302 -2.382
326 1HG1 VAL 41 3HG1 VAL 41 3.633 3.474 -1.965
327 2HG1 VAL 41 2HG1 VAL 41 4.214 4.123 -3.490
328 3HG1 VAL 41 1HG1 VAL 41 3.049 2.810 -3.483
329 1HG2 VAL 41 2HG2 VAL 41 6.162 1.132 -4.518
330 2HG2 VAL 41 1HG2 VAL 41 4.482 1.423 -4.911
331 3HG2 VAL 41 3HG2 VAL 41 5.638 2.734 -4.992
332 H VAL 42 H VAL 42 6.765 1.676 -0.198
333 HA VAL 42 HA VAL 42 9.010 -0.040 -1.129
334 HB VAL 42 HB VAL 42 8.057 0.841 1.615
335 1HG1 VAL 42 1HG1 VAL 42 10.630 -0.424 0.634
336 2HG1 VAL 42 3HG1 VAL 42 10.297 0.101 2.298
337 3HG1 VAL 42 2HG1 VAL 42 9.325 -1.200 1.592
338 1HG2 VAL 42 3HG2 VAL 42 10.352 1.907 -0.113
339 2HG2 VAL 42 2HG2 VAL 42 8.874 2.769 0.277
340 3HG2 VAL 42 1HG2 VAL 42 10.014 2.394 1.536
341 H PHE 43 H PHE 43 8.597 -2.321 -1.130
342 HA PHE 43 HA PHE 43 5.852 -3.222 -0.595
343 1HB PHE 43 2HB PHE 43 8.039 -4.265 -2.276
344 2HB PHE 43 1HB PHE 43 7.115 -5.464 -1.432
345 HD1 PHE 43 HD1 PHE 43 6.025 -2.157 -2.948
346 HD2 PHE 43 HD2 PHE 43 5.555 -6.381 -2.816
347 HE1 PHE 43 HE1 PHE 43 4.164 -1.997 -4.525
348 HE2 PHE 43 HE2 PHE 43 3.683 -6.216 -4.396
349 HZ PHE 43 HZ PHE 43 2.985 -4.019 -5.252
350 H ASP 44 H ASP 44 5.428 -4.876 1.091
351 HA ASP 44 HA ASP 44 7.670 -4.949 3.013
352 1HB ASP 44 2HB ASP 44 5.115 -4.334 3.521
353 2HB ASP 44 1HB ASP 44 4.931 -6.062 3.602
354 H ALA 45 H ALA 45 7.916 -6.512 4.544
355 HA ALA 45 HA ALA 45 8.541 -9.160 3.425
356 1HB ALA 45 2HB ALA 45 9.778 -7.584 5.724
357 2HB ALA 45 1HB ALA 45 10.329 -9.169 5.196
358 3HB ALA 45 3HB ALA 45 10.466 -7.795 4.116
359 H ALA 46 H ALA 46 6.573 -7.696 5.682
360 HA ALA 46 HA ALA 46 5.977 -10.238 7.163
361 1HB ALA 46 1HB ALA 46 5.436 -7.290 7.862
362 2HB ALA 46 3HB ALA 46 5.044 -8.652 8.902
363 3HB ALA 46 2HB ALA 46 6.721 -8.266 8.538
364 H LEU 47 H LEU 47 4.467 -7.431 5.659
365 HA LEU 47 HA LEU 47 1.855 -8.831 5.399
366 1HB LEU 47 2HB LEU 47 2.780 -6.005 4.753
367 2HB LEU 47 1HB LEU 47 1.169 -6.589 4.366
368 HG LEU 47 HG LEU 47 0.830 -7.086 6.829
369 1HD1 LEU 47 2HD1 LEU 47 3.396 -5.438 7.058
370 2HD1 LEU 47 1HD1 LEU 47 2.355 -5.871 8.403
371 3HD1 LEU 47 3HD1 LEU 47 3.223 -7.111 7.538
372 1HD2 LEU 47 3HD2 LEU 47 -0.025 -5.043 5.704
373 2HD2 LEU 47 2HD2 LEU 47 0.455 -4.686 7.360
374 3HD2 LEU 47 1HD2 LEU 47 1.503 -4.226 6.025
375 H ASN 48 H ASN 48 3.361 -10.330 3.961
376 HA ASN 48 HA ASN 48 2.309 -10.123 1.283
377 1HB ASN 48 2HB ASN 48 4.014 -8.718 0.602
378 2HB ASN 48 1HB ASN 48 5.006 -9.115 1.981
379 1HD2 ASN 48 2HD2 ASN 48 7.167 -10.686 -0.079
380 2HD2 ASN 48 1HD2 ASN 48 6.854 -9.428 1.034
381 HA PRO 49 HA PRO 49 2.436 -14.576 1.693
382 1HB PRO 49 2HB PRO 49 2.715 -15.310 -1.014
383 2HB PRO 49 1HB PRO 49 1.183 -14.813 -0.307
384 1HG PRO 49 2HG PRO 49 3.246 -13.059 -1.711
385 2HG PRO 49 1HG PRO 49 1.525 -13.185 -2.082
386 1HD PRO 49 2HD PRO 49 2.291 -11.152 -0.553
387 2HD PRO 49 1HD PRO 49 0.921 -12.110 0.057
388 H ALA 50 H ALA 50 4.880 -13.063 -0.259
389 HA ALA 50 HA ALA 50 6.903 -15.106 0.627
390 1HB ALA 50 1HB ALA 50 7.267 -12.818 -1.363
391 2HB ALA 50 3HB ALA 50 8.439 -14.056 -0.977
392 3HB ALA 50 2HB ALA 50 6.971 -14.499 -1.851
393 H LYS 51 H LYS 51 6.386 -14.113 2.645
394 HA LYS 51 HA LYS 51 7.117 -11.523 3.546
395 1HB LYS 51 2HB LYS 51 7.106 -12.798 5.827
396 2HB LYS 51 1HB LYS 51 5.663 -12.822 4.855
397 1HG LYS 51 2HG LYS 51 6.283 -15.119 5.810
398 2HG LYS 51 1HG LYS 51 5.984 -15.102 4.105
399 1HD LYS 51 2HD LYS 51 8.004 -16.432 4.460
400 2HD LYS 51 1HD LYS 51 8.531 -14.956 3.706
401 1HE LYS 51 2HE LYS 51 8.678 -14.260 6.374
402 2HE LYS 51 1HE LYS 51 8.986 -15.985 6.468
403 1HZ LYS 51 2HZ LYS 51 10.462 -14.880 4.242
404 2HZ LYS 51 1HZ LYS 51 10.663 -13.925 5.555
405 3HZ LYS 51 3HZ LYS 51 11.117 -15.566 5.655
406 H SER 52 H SER 52 9.294 -12.302 1.971
407 HA SER 52 HA SER 52 11.581 -12.584 3.786
408 1HB SER 52 2HB SER 52 11.440 -13.409 0.931
409 2HB SER 52 1HB SER 52 12.720 -13.726 2.114
410 HG SER 52 HG SER 52 10.764 -15.198 1.745
411 H ALA 53 H ALA 53 13.418 -11.920 1.638
412 HA ALA 53 HA ALA 53 13.086 -8.909 1.504
413 1HB ALA 53 2HB ALA 53 15.645 -10.604 1.768
414 2HB ALA 53 1HB ALA 53 15.617 -8.849 1.686
415 3HB ALA 53 3HB ALA 53 14.910 -9.679 3.062
416 H ASP 54 H ASP 54 14.841 -11.472 0.074
417 HA ASP 54 HA ASP 54 15.816 -11.026 -2.250
418 1HB ASP 54 2HB ASP 54 14.437 -13.363 -2.810
419 2HB ASP 54 1HB ASP 54 15.602 -13.319 -1.497
420 H LEU 55 H LEU 55 12.467 -11.715 -2.444
421 HA LEU 55 HA LEU 55 12.158 -10.182 -4.995
422 1HB LEU 55 2HB LEU 55 11.426 -12.604 -4.747
423 2HB LEU 55 1HB LEU 55 10.309 -12.146 -3.502
424 HG LEU 55 HG LEU 55 9.201 -12.541 -5.728
425 1HD1 LEU 55 1HD1 LEU 55 8.131 -10.919 -4.152
426 2HD1 LEU 55 3HD1 LEU 55 9.022 -9.605 -4.913
427 3HD1 LEU 55 2HD1 LEU 55 7.870 -10.537 -5.842
428 1HD2 LEU 55 1HD2 LEU 55 11.043 -11.750 -7.158
429 2HD2 LEU 55 3HD2 LEU 55 9.537 -10.947 -7.532
430 3HD2 LEU 55 2HD2 LEU 55 10.769 -10.093 -6.626
431 H ALA 56 H ALA 56 10.494 -10.631 -1.962
432 HA ALA 56 HA ALA 56 8.609 -8.723 -1.690
433 1HB ALA 56 1HB ALA 56 9.399 -10.225 0.140
434 2HB ALA 56 3HB ALA 56 10.852 -9.267 0.305
435 3HB ALA 56 2HB ALA 56 9.298 -8.585 0.746
436 H LYS 57 H LYS 57 11.996 -7.826 -1.530
437 HA LYS 57 HA LYS 57 11.191 -4.930 -1.579
438 1HB LYS 57 2HB LYS 57 13.975 -6.277 -1.178
439 2HB LYS 57 1HB LYS 57 13.661 -4.600 -0.834
440 1HG LYS 57 2HG LYS 57 12.175 -6.804 0.689
441 2HG LYS 57 1HG LYS 57 13.806 -6.385 1.135
442 1HD LYS 57 2HD LYS 57 12.143 -5.155 2.521
443 2HD LYS 57 1HD LYS 57 13.163 -4.057 1.611
444 1HE LYS 57 2HE LYS 57 11.382 -3.687 -0.025
445 2HE LYS 57 1HE LYS 57 10.403 -4.936 0.738
446 1HZ LYS 57 3HZ LYS 57 11.176 -3.146 2.791
447 2HZ LYS 57 2HZ LYS 57 10.715 -2.200 1.468
448 3HZ LYS 57 1HZ LYS 57 9.655 -3.295 2.143
449 H SER 58 H SER 58 13.161 -7.133 -3.434
450 HA SER 58 HA SER 58 13.996 -5.190 -5.393
451 1HB SER 58 2HB SER 58 13.516 -8.157 -5.883
452 2HB SER 58 1HB SER 58 14.562 -7.071 -6.819
453 HG SER 58 HG SER 58 15.051 -8.307 -4.504
454 H LEU 59 H LEU 59 11.067 -5.567 -4.708
455 HA LEU 59 HA LEU 59 9.824 -5.439 -7.407
456 1HB LEU 59 2HB LEU 59 9.218 -7.238 -5.582
457 2HB LEU 59 1HB LEU 59 8.512 -5.934 -4.664
458 HG LEU 59 HG LEU 59 7.684 -6.716 -7.497
459 1HD1 LEU 59 3HD1 LEU 59 6.390 -7.183 -4.777
460 2HD1 LEU 59 2HD1 LEU 59 5.706 -7.604 -6.336
461 3HD1 LEU 59 1HD1 LEU 59 7.145 -8.411 -5.779
462 1HD2 LEU 59 2HD2 LEU 59 6.419 -4.807 -5.469
463 2HD2 LEU 59 1HD2 LEU 59 7.213 -4.313 -6.952
464 3HD2 LEU 59 3HD2 LEU 59 5.737 -5.245 -7.023
465 H SER 60 H SER 60 9.712 -4.010 -4.003
466 HA SER 60 HA SER 60 8.618 -1.546 -5.148
467 1HB SER 60 2HB SER 60 8.645 -0.890 -2.819
468 2HB SER 60 1HB SER 60 7.985 -2.487 -3.089
469 HG SER 60 HG SER 60 10.675 -2.751 -2.904
470 H HIS 61 H HIS 61 9.543 0.453 -3.720
471 HA HIS 61 HA HIS 61 12.337 0.897 -4.691
472 1HB HIS 61 2HB HIS 61 10.217 3.042 -4.175
473 2HB HIS 61 1HB HIS 61 11.608 3.165 -5.244
474 HD1 HIS 61 HD1 HIS 61 10.968 0.401 -6.648
475 HD2 HIS 61 HD2 HIS 61 8.333 3.464 -6.144
476 HE1 HIS 61 HE1 HIS 61 9.216 0.130 -8.405
477 H LYS 62 H LYS 62 12.600 3.365 -3.218
478 HA LYS 62 HA LYS 62 12.733 2.362 -0.371
479 1HB LYS 62 2HB LYS 62 14.821 3.870 -1.971
480 2HB LYS 62 1HB LYS 62 14.916 3.624 -0.228
481 1HG LYS 62 2HG LYS 62 14.749 1.124 -0.568
482 2HG LYS 62 1HG LYS 62 14.694 1.327 -2.290
483 1HD LYS 62 2HD LYS 62 17.045 2.181 -0.510
484 2HD LYS 62 1HD LYS 62 16.969 0.659 -1.372
485 1HE LYS 62 2HE LYS 62 16.815 1.910 -3.539
486 2HE LYS 62 1HE LYS 62 16.993 3.424 -2.653
487 1HZ LYS 62 2HZ LYS 62 18.981 1.623 -1.733
488 2HZ LYS 62 1HZ LYS 62 19.065 1.621 -3.417
489 3HZ LYS 62 3HZ LYS 62 19.237 3.070 -2.563
490 H GLN 63 H GLN 63 13.777 5.511 -1.521
491 HA GLN 63 HA GLN 63 11.456 6.759 -0.229
492 1HB GLN 63 2HB GLN 63 13.198 6.297 1.544
493 2HB GLN 63 1HB GLN 63 14.323 7.324 0.684
494 1HG GLN 63 2HG GLN 63 11.937 8.947 1.051
495 2HG GLN 63 1HG GLN 63 12.204 8.105 2.562
496 1HE2 GLN 63 2HE2 GLN 63 14.850 10.879 1.404
497 2HE2 GLN 63 1HE2 GLN 63 13.780 10.199 0.245
498 H LEU 64 H LEU 64 12.270 6.824 -2.983
499 HA LEU 64 HA LEU 64 12.602 9.795 -3.288
500 1HB LEU 64 2HB LEU 64 14.234 9.272 -5.189
501 2HB LEU 64 1HB LEU 64 14.765 9.023 -3.548
502 HG LEU 64 HG LEU 64 14.446 6.587 -3.747
503 1HD1 LEU 64 3HD1 LEU 64 13.525 7.216 -6.590
504 2HD1 LEU 64 2HD1 LEU 64 13.779 5.604 -5.952
505 3HD1 LEU 64 1HD1 LEU 64 12.477 6.594 -5.333
506 1HD2 LEU 64 1HD2 LEU 64 15.837 7.811 -6.161
507 2HD2 LEU 64 3HD2 LEU 64 16.560 7.618 -4.578
508 3HD2 LEU 64 2HD2 LEU 64 16.149 6.205 -5.540
509 H LEU 65 H LEU 65 9.947 8.751 -3.906
510 HA LEU 65 HA LEU 65 9.958 9.038 -6.907
511 1HB LEU 65 2HB LEU 65 8.809 7.027 -5.922
512 2HB LEU 65 1HB LEU 65 7.702 8.099 -5.079
513 HG LEU 65 HG LEU 65 6.889 9.007 -7.254
514 1HD1 LEU 65 3HD1 LEU 65 8.748 6.903 -8.472
515 2HD1 LEU 65 2HD1 LEU 65 7.583 7.869 -9.355
516 3HD1 LEU 65 1HD1 LEU 65 8.958 8.639 -8.631
517 1HD2 LEU 65 3HD2 LEU 65 6.906 5.966 -7.099
518 2HD2 LEU 65 2HD2 LEU 65 5.746 7.025 -6.317
519 3HD2 LEU 65 1HD2 LEU 65 5.794 6.908 -8.061
520 H MET 66 H MET 66 10.414 11.226 -6.712
521 HA MET 66 HA MET 66 8.257 13.084 -5.770
522 1HB MET 66 2HB MET 66 10.724 13.241 -5.259
523 2HB MET 66 1HB MET 66 10.913 13.653 -6.963
524 1HG MET 66 2HG MET 66 9.604 15.656 -6.757
525 2HG MET 66 1HG MET 66 9.049 15.248 -5.156
526 1HE MET 66 1HE MET 66 10.887 14.896 -3.144
527 2HE MET 66 3HE MET 66 11.577 16.467 -2.793
528 3HE MET 66 2HE MET 66 9.865 16.354 -3.146
529 H SER 67 H SER 67 7.460 11.751 -7.460
530 HA SER 67 HA SER 67 7.423 12.900 -10.231
531 1HB SER 67 2HB SER 67 6.450 10.274 -9.122
532 2HB SER 67 1HB SER 67 6.202 10.738 -10.802
533 HG SER 67 HG SER 67 8.224 10.493 -11.157
534 HA PRO 68 HA PRO 68 3.543 14.588 -8.065
535 1HB PRO 68 2HB PRO 68 3.605 17.109 -9.207
536 2HB PRO 68 1HB PRO 68 4.500 16.681 -7.754
537 1HG PRO 68 2HG PRO 68 5.451 16.527 -10.676
538 2HG PRO 68 1HG PRO 68 6.237 17.412 -9.364
539 1HD PRO 68 2HD PRO 68 7.159 15.003 -9.921
540 2HD PRO 68 1HD PRO 68 6.803 15.318 -8.206
541 H GLY 69 H GLY 69 2.663 12.911 -9.553
542 1HA GLY 69 2HA GLY 69 0.333 12.828 -10.615
543 2HA GLY 69 1HA GLY 69 0.863 14.123 -11.667
544 H GLN 70 H GLN 70 3.267 11.883 -11.226
545 HA GLN 70 HA GLN 70 2.701 10.619 -13.889
546 1HB GLN 70 2HB GLN 70 4.700 11.925 -13.924
547 2HB GLN 70 1HB GLN 70 5.222 11.373 -12.365
548 1HG GLN 70 2HG GLN 70 5.499 8.974 -13.501
549 2HG GLN 70 1HG GLN 70 5.301 9.810 -15.028
550 1HE2 GLN 70 2HE2 GLN 70 8.692 10.617 -14.942
551 2HE2 GLN 70 1HE2 GLN 70 7.332 10.267 -15.917
552 H SER 71 H SER 71 3.142 8.396 -14.205
553 HA SER 71 HA SER 71 2.922 6.767 -11.722
554 1HB SER 71 2HB SER 71 1.612 5.239 -12.949
555 2HB SER 71 1HB SER 71 0.916 6.859 -12.972
556 HG SER 71 HG SER 71 1.069 5.827 -15.029
557 H THR 72 H THR 72 3.275 4.628 -11.807
558 HA THR 72 HA THR 72 5.742 3.669 -13.277
559 HB THR 72 HB THR 72 6.419 3.664 -11.037
560 HG1 THR 72 HG1 THR 72 5.420 1.060 -10.994
561 1HG2 THR 72 3HG2 THR 72 3.874 2.123 -10.345
562 2HG2 THR 72 2HG2 THR 72 5.164 2.593 -9.248
563 3HG2 THR 72 1HG2 THR 72 4.129 3.824 -9.967
564 H SER 73 H SER 73 5.368 1.940 -14.646
565 HA SER 73 HA SER 73 2.789 0.425 -14.548
566 1HB SER 73 2HB SER 73 5.198 0.225 -16.443
567 2HB SER 73 1HB SER 73 3.713 -0.715 -16.630
568 HG SER 73 HG SER 73 3.091 1.922 -16.180
569 H THR 74 H THR 74 3.173 -0.347 -12.550
570 HA THR 74 HA THR 74 5.385 -2.020 -11.731
571 HB THR 74 HB THR 74 2.621 -1.919 -10.405
572 HG1 THR 74 HG1 THR 74 3.309 -0.079 -9.615
573 1HG2 THR 74 3HG2 THR 74 4.457 -3.540 -9.553
574 2HG2 THR 74 2HG2 THR 74 5.496 -2.131 -9.363
575 3HG2 THR 74 1HG2 THR 74 4.038 -2.282 -8.405
576 H THR 75 H THR 75 5.375 -3.332 -13.561
577 HA THR 75 HA THR 75 3.328 -5.509 -13.654
578 HB THR 75 HB THR 75 4.593 -4.268 -15.745
579 HG1 THR 75 HG1 THR 75 4.318 -7.061 -15.907
580 1HG2 THR 75 3HG2 THR 75 6.149 -6.893 -15.352
581 2HG2 THR 75 2HG2 THR 75 6.240 -5.798 -16.721
582 3HG2 THR 75 1HG2 THR 75 6.872 -5.311 -15.155
583 H PHE 76 H PHE 76 3.761 -7.580 -13.248
584 HA PHE 76 HA PHE 76 6.176 -8.046 -11.520
585 1HB PHE 76 2HB PHE 76 3.577 -9.526 -11.774
586 2HB PHE 76 1HB PHE 76 4.859 -10.067 -10.705
587 HD1 PHE 76 HD1 PHE 76 2.964 -6.853 -11.432
588 HD2 PHE 76 HD2 PHE 76 4.641 -9.417 -8.479
589 HE1 PHE 76 HE1 PHE 76 2.141 -5.371 -9.712
590 HE2 PHE 76 HE2 PHE 76 3.772 -7.924 -6.723
591 HZ PHE 76 HZ PHE 76 2.534 -5.880 -7.337
592 HA PRO 77 HA PRO 77 8.160 -10.805 -14.398
593 1HB PRO 77 2HB PRO 77 9.771 -12.133 -12.616
594 2HB PRO 77 1HB PRO 77 10.091 -10.483 -13.204
595 1HG PRO 77 2HG PRO 77 8.874 -11.461 -10.622
596 2HG PRO 77 1HG PRO 77 10.007 -10.152 -10.839
597 1HD PRO 77 2HD PRO 77 7.330 -9.707 -10.520
598 2HD PRO 77 1HD PRO 77 8.347 -8.618 -11.489
599 H ALA 78 H ALA 78 5.698 -11.789 -13.989
600 HA ALA 78 HA ALA 78 4.365 -13.774 -13.916
601 1HB ALA 78 2HB ALA 78 5.598 -13.902 -16.094
602 2HB ALA 78 1HB ALA 78 6.939 -14.695 -15.275
603 3HB ALA 78 3HB ALA 78 5.396 -15.518 -15.425
604 H ASP 79 H ASP 79 5.963 -13.282 -11.665
605 HA ASP 79 HA ASP 79 6.554 -15.905 -10.420
606 1HB ASP 79 2HB ASP 79 7.836 -14.422 -8.803
607 2HB ASP 79 1HB ASP 79 8.293 -14.043 -10.452
608 H ALA 80 H ALA 80 5.185 -12.955 -9.468
609 HA ALA 80 HA ALA 80 3.882 -12.816 -7.273
610 1HB ALA 80 2HB ALA 80 3.579 -11.322 -9.124
611 2HB ALA 80 1HB ALA 80 2.541 -12.492 -9.930
612 3HB ALA 80 3HB ALA 80 1.986 -11.689 -8.464
613 HA PRO 81 HA PRO 81 1.464 -16.778 -6.944
614 1HB PRO 81 2HB PRO 81 2.039 -17.146 -4.247
615 2HB PRO 81 1HB PRO 81 3.091 -17.746 -5.539
616 1HG PRO 81 2HG PRO 81 3.287 -15.039 -4.085
617 2HG PRO 81 1HG PRO 81 4.556 -16.256 -4.219
618 1HD PRO 81 2HD PRO 81 4.558 -14.249 -5.978
619 2HD PRO 81 1HD PRO 81 4.768 -15.888 -6.634
620 H ALA 82 H ALA 82 -0.461 -17.104 -5.489
621 HA ALA 82 HA ALA 82 -1.939 -14.613 -5.374
622 1HB ALA 82 1HB ALA 82 -2.715 -17.462 -4.544
623 2HB ALA 82 3HB ALA 82 -3.837 -16.121 -4.703
624 3HB ALA 82 2HB ALA 82 -2.990 -16.707 -6.109
625 H GLY 83 H GLY 83 -3.144 -13.879 -3.634
626 1HA GLY 83 2HA GLY 83 -3.492 -13.832 -1.069
627 2HA GLY 83 1HA GLY 83 -1.737 -14.006 -0.943
628 H GLU 84 H GLU 84 -1.862 -11.936 0.315
629 HA GLU 84 HA GLU 84 -2.246 -9.515 -1.419
630 1HB GLU 84 2HB GLU 84 -3.762 -9.718 0.566
631 2HB GLU 84 1HB GLU 84 -2.345 -9.702 1.586
632 1HG GLU 84 2HG GLU 84 -1.782 -7.390 0.214
633 2HG GLU 84 1HG GLU 84 -3.513 -7.418 0.002
634 H TYR 85 H TYR 85 -0.723 -8.097 -1.783
635 HA TYR 85 HA TYR 85 1.919 -8.252 -0.365
636 1HB TYR 85 2HB TYR 85 1.333 -7.162 -3.104
637 2HB TYR 85 1HB TYR 85 2.891 -7.198 -2.345
638 HD1 TYR 85 HD1 TYR 85 4.028 -9.394 -1.937
639 HD2 TYR 85 HD2 TYR 85 0.435 -9.081 -4.188
640 HE1 TYR 85 HE1 TYR 85 4.427 -11.628 -2.913
641 HE2 TYR 85 HE2 TYR 85 0.893 -11.341 -5.134
642 HH TYR 85 HH TYR 85 1.958 -13.130 -4.882
643 H THR 86 H THR 86 1.786 -6.519 1.195
644 HA THR 86 HA THR 86 0.387 -3.998 0.399
645 HB THR 86 HB THR 86 1.469 -4.929 3.098
646 HG1 THR 86 HG1 THR 86 -0.762 -5.286 2.582
647 1HG2 THR 86 1HG2 THR 86 0.312 -2.189 2.345
648 2HG2 THR 86 3HG2 THR 86 0.720 -2.746 3.972
649 3HG2 THR 86 2HG2 THR 86 1.989 -2.398 2.816
650 H PHE 87 H PHE 87 1.222 -2.140 0.037
651 HA PHE 87 HA PHE 87 4.119 -1.733 -0.062
652 1HB PHE 87 2HB PHE 87 3.076 0.231 -1.704
653 2HB PHE 87 1HB PHE 87 3.914 -1.221 -2.180
654 HD1 PHE 87 HD2 PHE 87 2.380 -3.358 -2.310
655 HD2 PHE 87 HD1 PHE 87 1.004 0.646 -2.559
656 HE1 PHE 87 HE2 PHE 87 0.432 -4.131 -3.486
657 HE2 PHE 87 HE1 PHE 87 -0.983 -0.098 -3.756
658 HZ PHE 87 HZ PHE 87 -1.310 -2.495 -4.244
659 H TYR 88 H TYR 88 4.867 -0.064 1.256
660 HA TYR 88 HA TYR 88 2.995 1.977 2.282
661 1HB TYR 88 2HB TYR 88 4.807 2.111 4.196
662 2HB TYR 88 1HB TYR 88 3.660 0.793 4.166
663 HD1 TYR 88 HD1 TYR 88 4.405 -1.356 2.885
664 HD2 TYR 88 HD2 TYR 88 7.100 1.598 4.297
665 HE1 TYR 88 HE1 TYR 88 6.216 -2.958 2.810
666 HE2 TYR 88 HE2 TYR 88 8.911 -0.042 4.238
667 HH TYR 88 HH TYR 88 8.221 -3.214 4.157
668 H CYS 89 H CYS 89 3.618 4.098 2.507
669 HA CYS 89 HA CYS 89 5.931 5.037 0.817
670 1HB CYS 89 2HB CYS 89 3.739 5.455 -0.058
671 2HB CYS 89 1HB CYS 89 3.219 6.162 1.442
672 H GLU 90 H GLU 90 6.633 4.479 3.424
673 HA GLU 90 HA GLU 90 6.762 5.738 5.601
674 1HB GLU 90 2HB GLU 90 9.222 5.636 3.805
675 2HB GLU 90 1HB GLU 90 9.279 5.803 5.547
676 1HG GLU 90 2HG GLU 90 8.210 3.410 3.928
677 2HG GLU 90 1HG GLU 90 9.571 3.424 5.006
678 HA PRO 91 HA PRO 91 8.623 10.197 4.972
679 1HB PRO 91 2HB PRO 91 8.126 11.213 2.403
680 2HB PRO 91 1HB PRO 91 9.679 10.555 2.924
681 1HG PRO 91 2HG PRO 91 7.369 9.033 1.550
682 2HG PRO 91 1HG PRO 91 9.057 9.100 1.026
683 1HD PRO 91 2HD PRO 91 8.308 6.996 2.455
684 2HD PRO 91 1HD PRO 91 9.775 7.830 3.028
685 H HIS 92 HN HIP 92 5.924 8.932 3.496
686 HA HIS 92 HA HIP 92 4.026 11.033 4.414
687 1HB HIS 92 2HB HIP 92 4.257 10.668 1.988
688 2HB HIS 92 1HB HIP 92 4.054 8.949 2.199
689 HD2 HIS 92 HD2 HIP 92 1.216 10.496 4.160
690 HE1 HIS 92 HE1 HIP 92 -0.143 10.010 0.263
691 HE2 HIS 92 HE2 HIP 92 -0.760 10.430 2.527
692 H ARG 93 H ARG 93 5.088 9.010 6.207
693 HA ARG 93 HA ARG 93 3.020 6.950 6.570
694 1HB ARG 93 2HB ARG 93 4.393 6.257 8.436
695 2HB ARG 93 1HB ARG 93 5.420 6.579 7.045
696 1HG ARG 93 2HG ARG 93 5.664 8.997 8.170
697 2HG ARG 93 1HG ARG 93 5.083 8.197 9.611
698 1HD ARG 93 2HD ARG 93 7.532 7.444 7.968
699 2HD ARG 93 1HD ARG 93 7.546 8.153 9.578
700 HE ARG 93 HE ARG 93 6.439 5.971 10.398
701 1HH1 ARG 93 2HH1 ARG 93 5.422 4.627 8.403
702 2HH1 ARG 93 1HH1 ARG 93 6.652 3.577 7.791
703 1HH2 ARG 93 1HH2 ARG 93 9.085 5.436 9.289
704 2HH2 ARG 93 2HH2 ARG 93 8.736 4.038 8.307
705 H GLY 94 H GLY 94 1.809 9.289 6.636
706 1HA GLY 94 2HA GLY 94 0.668 9.530 9.437
707 2HA GLY 94 1HA GLY 94 0.883 10.964 8.439
708 H ALA 95 H ALA 95 -0.082 10.457 6.136
709 HA ALA 95 HA ALA 95 -2.973 9.918 6.577
710 1HB ALA 95 3HB ALA 95 -1.397 11.002 4.178
711 2HB ALA 95 2HB ALA 95 -3.143 10.964 4.285
712 3HB ALA 95 1HB ALA 95 -2.218 11.995 5.371
713 H GLY 96 H GLY 96 -2.162 7.813 7.047
714 1HA GLY 96 2HA GLY 96 -1.439 5.535 6.470
715 2HA GLY 96 1HA GLY 96 -3.126 5.628 6.057
716 H MET 97 H MET 97 -0.197 6.609 4.309
717 HA MET 97 HA MET 97 -1.343 5.415 1.874
718 1HB MET 97 2HB MET 97 -0.118 7.590 1.888
719 2HB MET 97 1HB MET 97 1.364 6.766 2.328
720 1HG MET 97 2HG MET 97 1.388 5.516 0.234
721 2HG MET 97 1HG MET 97 -0.265 5.921 -0.092
722 1HE MET 97 1HE MET 97 -1.094 8.239 -0.380
723 2HE MET 97 3HE MET 97 -0.467 9.058 -1.794
724 3HE MET 97 2HE MET 97 -0.956 7.368 -1.906
725 H VAL 98 H VAL 98 -1.377 3.432 3.112
726 HA VAL 98 HA VAL 98 0.958 1.569 2.659
727 HB VAL 98 HB VAL 98 -1.325 1.390 4.639
728 1HG1 VAL 98 2HG1 VAL 98 1.222 -0.272 4.307
729 2HG1 VAL 98 1HG1 VAL 98 0.054 -0.455 5.605
730 3HG1 VAL 98 3HG1 VAL 98 -0.403 -0.836 3.954
731 1HG2 VAL 98 2HG2 VAL 98 1.650 2.029 5.001
732 2HG2 VAL 98 1HG2 VAL 98 0.343 3.185 5.172
733 3HG2 VAL 98 3HG2 VAL 98 0.488 1.854 6.303
734 H GLY 99 H GLY 99 0.059 1.529 0.351
735 1HA GLY 99 2HA GLY 99 -2.564 0.519 -0.337
736 2HA GLY 99 1HA GLY 99 -1.209 0.608 -1.425
737 H LYS 100 H LYS 100 -3.131 -1.298 -1.501
738 HA LYS 100 HA LYS 100 -1.543 -3.759 -1.046
739 1HB LYS 100 2HB LYS 100 -4.233 -3.034 0.017
740 2HB LYS 100 1HB LYS 100 -4.022 -4.707 -0.465
741 1HG LYS 100 2HG LYS 100 -2.173 -5.058 0.879
742 2HG LYS 100 1HG LYS 100 -1.898 -3.371 1.164
743 1HD LYS 100 2HD LYS 100 -4.508 -4.707 2.056
744 2HD LYS 100 1HD LYS 100 -3.096 -4.863 3.045
745 1HE LYS 100 2HE LYS 100 -4.258 -2.223 2.203
746 2HE LYS 100 1HE LYS 100 -4.434 -2.989 3.792
747 1HZ LYS 100 2HZ LYS 100 -1.734 -3.146 3.000
748 2HZ LYS 100 1HZ LYS 100 -2.199 -1.528 2.794
749 3HZ LYS 100 3HZ LYS 100 -2.325 -2.280 4.314
750 H ILE 101 H ILE 101 -1.162 -4.882 -2.729
751 HA ILE 101 HA ILE 101 -3.251 -5.166 -4.877
752 HB ILE 101 HB ILE 101 -0.658 -4.345 -5.363
753 1HG1 ILE 101 2HG1 ILE 101 -2.497 -6.132 -6.999
754 2HG1 ILE 101 1HG1 ILE 101 -2.312 -4.388 -7.056
755 1HG2 ILE 101 1HG2 ILE 101 0.285 -6.489 -4.480
756 2HG2 ILE 101 3HG2 ILE 101 -0.558 -7.385 -5.731
757 3HG2 ILE 101 2HG2 ILE 101 0.706 -6.250 -6.159
758 1HD1 ILE 101 1HD1 ILE 101 0.013 -4.674 -8.045
759 2HD1 ILE 101 3HD1 ILE 101 -0.212 -6.411 -8.035
760 3HD1 ILE 101 2HD1 ILE 101 -1.202 -5.422 -9.054
761 H THR 102 H THR 102 -4.148 -7.063 -4.839
762 HA THR 102 HA THR 102 -3.042 -9.422 -3.362
763 HB THR 102 HB THR 102 -5.556 -10.253 -3.504
764 HG1 THR 102 HG1 THR 102 -5.632 -7.671 -4.485
765 1HG2 THR 102 2HG2 THR 102 -4.968 -7.712 -1.921
766 2HG2 THR 102 1HG2 THR 102 -6.211 -8.906 -1.579
767 3HG2 THR 102 3HG2 THR 102 -4.520 -9.320 -1.385
768 H VAL 103 H VAL 103 -2.800 -11.376 -4.472
769 HA VAL 103 HA VAL 103 -3.654 -11.249 -7.375
770 HB VAL 103 HB VAL 103 -1.420 -12.984 -6.266
771 1HG1 VAL 103 1HG1 VAL 103 -2.074 -11.918 -9.001
772 2HG1 VAL 103 3HG1 VAL 103 -0.722 -12.965 -8.587
773 3HG1 VAL 103 2HG1 VAL 103 -2.363 -13.576 -8.504
774 1HG2 VAL 103 1HG2 VAL 103 -1.318 -10.212 -7.265
775 2HG2 VAL 103 3HG2 VAL 103 -0.908 -10.742 -5.681
776 3HG2 VAL 103 2HG2 VAL 103 0.077 -11.252 -7.057
777 H ALA 104 H ALA 104 -4.988 -12.661 -8.143
778 HA ALA 104 HA ALA 104 -5.530 -15.229 -6.678
779 1HB ALA 104 1HB ALA 104 -7.644 -13.172 -7.552
780 2HB ALA 104 3HB ALA 104 -8.013 -14.747 -6.867
781 3HB ALA 104 2HB ALA 104 -7.173 -13.544 -5.903
782 H GLY 105 HN GLY 105 -7.088 -13.799 -9.449
783 1HA GLY 105 2HA GLY 105 -6.183 -15.877 -11.353
784 2HA GLY 105 1HA GLY 105 -7.917 -15.689 -11.101
No H/Q in entry = 784
Start of MODEL 5
1 1H GLU 1 1H GLU 1 -0.425 -6.284 -16.637
2 2H GLU 1 3H GLU 1 -1.706 -7.402 -16.648
3 3H GLU 1 2H GLU 1 -0.920 -7.022 -18.055
4 HA GLU 1 HA GLU 1 -2.246 -5.316 -18.490
5 1HB GLU 1 2HB GLU 1 -3.822 -6.580 -16.224
6 2HB GLU 1 1HB GLU 1 -4.488 -5.477 -17.394
7 1HG GLU 1 2HG GLU 1 -4.938 -7.861 -18.136
8 2HG GLU 1 1HG GLU 1 -3.891 -7.082 -19.289
9 H THR 2 H THR 2 -0.622 -3.515 -17.551
10 HA THR 2 HA THR 2 -0.770 -2.275 -15.179
11 HB THR 2 HB THR 2 -0.723 -0.562 -17.768
12 HG1 THR 2 HG1 THR 2 1.561 -1.617 -17.686
13 1HG2 THR 2 1HG2 THR 2 0.221 0.146 -15.422
14 2HG2 THR 2 3HG2 THR 2 1.413 -1.109 -15.609
15 3HG2 THR 2 2HG2 THR 2 1.362 0.249 -16.740
16 H TYR 3 H TYR 3 -2.559 -2.388 -14.168
17 HA TYR 3 HA TYR 3 -4.800 -0.636 -14.995
18 1HB TYR 3 2HB TYR 3 -4.358 -2.230 -12.415
19 2HB TYR 3 1HB TYR 3 -5.873 -1.473 -12.852
20 HD1 TYR 3 HD1 TYR 3 -6.715 -2.183 -15.319
21 HD2 TYR 3 HD2 TYR 3 -4.168 -4.505 -12.853
22 HE1 TYR 3 HE1 TYR 3 -7.391 -4.215 -16.539
23 HE2 TYR 3 HE2 TYR 3 -4.842 -6.494 -14.057
24 HH TYR 3 HH TYR 3 -6.826 -6.320 -16.923
25 H THR 4 H THR 4 -5.192 1.369 -14.302
26 HA THR 4 HA THR 4 -3.255 3.039 -13.047
27 HB THR 4 HB THR 4 -6.172 3.751 -13.479
28 HG1 THR 4 HG1 THR 4 -3.921 3.954 -15.215
29 1HG2 THR 4 3HG2 THR 4 -3.537 5.295 -13.782
30 2HG2 THR 4 2HG2 THR 4 -5.152 5.925 -14.027
31 3HG2 THR 4 1HG2 THR 4 -4.608 5.494 -12.409
32 H VAL 5 H VAL 5 -2.733 2.591 -10.858
33 HA VAL 5 HA VAL 5 -4.985 3.008 -8.899
34 HB VAL 5 HB VAL 5 -3.788 0.830 -8.690
35 1HG1 VAL 5 1HG1 VAL 5 -1.335 2.510 -8.042
36 2HG1 VAL 5 3HG1 VAL 5 -1.464 0.773 -7.815
37 3HG1 VAL 5 2HG1 VAL 5 -1.554 1.448 -9.422
38 1HG2 VAL 5 3HG2 VAL 5 -3.237 2.744 -6.366
39 2HG2 VAL 5 2HG2 VAL 5 -4.720 1.851 -6.630
40 3HG2 VAL 5 1HG2 VAL 5 -3.241 0.996 -6.251
41 H LYS 6 H LYS 6 -4.742 4.620 -7.402
42 HA LYS 6 HA LYS 6 -2.351 6.459 -7.664
43 1HB LYS 6 2HB LYS 6 -4.570 6.980 -8.874
44 2HB LYS 6 1HB LYS 6 -5.213 7.341 -7.293
45 1HG LYS 6 2HG LYS 6 -3.536 9.090 -6.950
46 2HG LYS 6 1HG LYS 6 -2.752 8.703 -8.463
47 1HD LYS 6 2HD LYS 6 -4.236 10.557 -9.049
48 2HD LYS 6 1HD LYS 6 -5.026 9.127 -9.642
49 1HE LYS 6 2HE LYS 6 -6.641 10.600 -8.480
50 2HE LYS 6 1HE LYS 6 -6.481 9.051 -7.668
51 1HZ LYS 6 3HZ LYS 6 -4.446 10.686 -6.678
52 2HZ LYS 6 2HZ LYS 6 -5.853 11.619 -6.614
53 3HZ LYS 6 1HZ LYS 6 -5.833 10.110 -5.893
54 H LEU 7 H LEU 7 -1.909 7.957 -5.907
55 HA LEU 7 HA LEU 7 -2.594 6.861 -3.231
56 1HB LEU 7 2HB LEU 7 -0.347 7.397 -2.668
57 2HB LEU 7 1HB LEU 7 -0.379 6.464 -4.151
58 HG LEU 7 HG LEU 7 0.715 9.039 -3.565
59 1HD1 LEU 7 1HD1 LEU 7 1.895 7.153 -4.686
60 2HD1 LEU 7 3HD1 LEU 7 0.792 7.275 -6.042
61 3HD1 LEU 7 2HD1 LEU 7 1.945 8.557 -5.741
62 1HD2 LEU 7 1HD2 LEU 7 -1.143 10.184 -4.659
63 2HD2 LEU 7 3HD2 LEU 7 0.371 10.299 -5.473
64 3HD2 LEU 7 2HD2 LEU 7 -0.870 9.254 -6.116
65 H GLY 8 H GLY 8 -4.392 8.721 -3.839
66 1HA GLY 8 2HA GLY 8 -4.928 10.403 -1.872
67 2HA GLY 8 1HA GLY 8 -3.507 11.234 -2.433
68 H SER 9 H SER 9 -6.789 10.623 -3.007
69 HA SER 9 HA SER 9 -8.034 11.393 -5.073
70 1HB SER 9 2HB SER 9 -9.331 13.236 -3.895
71 2HB SER 9 1HB SER 9 -9.127 11.744 -2.969
72 HG SER 9 HG SER 9 -8.201 14.223 -2.439
73 H ASP 10 H ASP 10 -7.277 14.421 -3.821
74 HA ASP 10 HA ASP 10 -6.427 15.512 -6.477
75 1HB ASP 10 2HB ASP 10 -7.925 17.464 -5.837
76 2HB ASP 10 1HB ASP 10 -8.828 15.981 -5.668
77 H LYS 11 H LYS 11 -6.518 17.523 -3.830
78 HA LYS 11 HA LYS 11 -3.592 17.728 -3.488
79 1HB LYS 11 2HB LYS 11 -3.947 20.044 -3.150
80 2HB LYS 11 1HB LYS 11 -5.152 19.666 -4.348
81 1HG LYS 11 2HG LYS 11 -6.679 19.240 -2.097
82 2HG LYS 11 1HG LYS 11 -5.488 20.306 -1.395
83 1HD LYS 11 2HD LYS 11 -7.080 21.865 -2.149
84 2HD LYS 11 1HD LYS 11 -6.004 21.824 -3.542
85 1HE LYS 11 2HE LYS 11 -7.471 19.952 -4.494
86 2HE LYS 11 1HE LYS 11 -8.552 20.241 -3.129
87 1HZ LYS 11 3HZ LYS 11 -8.013 22.741 -4.278
88 2HZ LYS 11 2HZ LYS 11 -8.424 21.679 -5.544
89 3HZ LYS 11 1HZ LYS 11 -9.483 21.885 -4.246
90 H GLY 12 H GLY 12 -6.689 17.144 -1.958
91 1HA GLY 12 2HA GLY 12 -5.677 17.281 0.798
92 2HA GLY 12 1HA GLY 12 -7.268 16.799 0.320
93 H LEU 13 H LEU 13 -7.691 14.516 0.047
94 HA LEU 13 HA LEU 13 -6.571 12.895 1.994
95 1HB LEU 13 2HB LEU 13 -7.798 11.989 -0.638
96 2HB LEU 13 1HB LEU 13 -7.603 10.970 0.759
97 HG LEU 13 HG LEU 13 -9.280 13.522 0.771
98 1HD1 LEU 13 3HD1 LEU 13 -10.056 10.571 0.654
99 2HD1 LEU 13 2HD1 LEU 13 -11.163 11.923 0.776
100 3HD1 LEU 13 1HD1 LEU 13 -10.202 11.713 -0.673
101 1HD2 LEU 13 2HD2 LEU 13 -9.022 11.197 2.756
102 2HD2 LEU 13 1HD2 LEU 13 -8.376 12.807 3.033
103 3HD2 LEU 13 3HD2 LEU 13 -10.100 12.567 2.912
104 H LEU 14 H LEU 14 -5.273 11.334 2.291
105 HA LEU 14 HA LEU 14 -2.969 10.764 0.407
106 1HB LEU 14 2HB LEU 14 -3.033 10.844 3.394
107 2HB LEU 14 1HB LEU 14 -1.670 10.425 2.390
108 HG LEU 14 HG LEU 14 -3.106 13.137 2.269
109 1HD1 LEU 14 3HD1 LEU 14 -0.427 12.295 3.466
110 2HD1 LEU 14 2HD1 LEU 14 -1.042 13.938 3.406
111 3HD1 LEU 14 1HD1 LEU 14 -1.849 12.734 4.390
112 1HD2 LEU 14 3HD2 LEU 14 -0.458 12.146 1.079
113 2HD2 LEU 14 2HD2 LEU 14 -1.883 12.445 0.112
114 3HD2 LEU 14 1HD2 LEU 14 -1.074 13.774 0.935
115 H VAL 15 H VAL 15 -5.127 9.222 -0.078
116 HA VAL 15 HA VAL 15 -4.841 6.643 1.440
117 HB VAL 15 HB VAL 15 -7.147 6.132 0.749
118 1HG1 VAL 15 3HG1 VAL 15 -6.704 7.312 2.901
119 2HG1 VAL 15 2HG1 VAL 15 -6.812 8.858 2.085
120 3HG1 VAL 15 1HG1 VAL 15 -8.225 7.826 2.198
121 1HG2 VAL 15 1HG2 VAL 15 -7.222 7.499 -1.356
122 2HG2 VAL 15 3HG2 VAL 15 -8.529 7.920 -0.275
123 3HG2 VAL 15 2HG2 VAL 15 -7.131 8.964 -0.407
124 H PHE 16 H PHE 16 -5.755 4.773 -0.044
125 HA PHE 16 HA PHE 16 -4.210 4.786 -2.621
126 1HB PHE 16 2HB PHE 16 -4.814 2.641 -0.575
127 2HB PHE 16 1HB PHE 16 -4.693 2.137 -2.245
128 HD1 PHE 16 HD1 PHE 16 -2.780 3.945 0.430
129 HD2 PHE 16 HD2 PHE 16 -2.608 1.838 -3.258
130 HE1 PHE 16 HE1 PHE 16 -0.299 3.854 0.553
131 HE2 PHE 16 HE2 PHE 16 -0.147 1.773 -3.108
132 HZ PHE 16 HZ PHE 16 0.985 2.793 -1.196
133 H GLU 17 H GLU 17 -5.273 4.922 -4.307
134 HA GLU 17 HA GLU 17 -8.182 4.398 -4.595
135 1HB GLU 17 2HB GLU 17 -6.191 6.005 -6.152
136 2HB GLU 17 1HB GLU 17 -7.887 5.905 -6.571
137 1HG GLU 17 2HG GLU 17 -8.555 7.186 -4.626
138 2HG GLU 17 1HG GLU 17 -7.075 6.824 -3.757
139 HA PRO 18 HA PRO 18 -8.753 2.588 -4.165
140 1HB PRO 18 2HB PRO 18 -10.087 0.414 -4.724
141 2HB PRO 18 1HB PRO 18 -10.212 1.808 -5.824
142 1HG PRO 18 2HG PRO 18 -8.519 -0.721 -6.147
143 2HG PRO 18 1HG PRO 18 -9.465 0.118 -7.379
144 1HD PRO 18 2HD PRO 18 -6.654 0.511 -6.796
145 2HD PRO 18 1HD PRO 18 -7.643 1.503 -7.900
146 H ALA 19 H ALA 19 -8.513 1.843 -2.249
147 HA ALA 19 HA ALA 19 -6.580 0.974 -0.795
148 1HB ALA 19 3HB ALA 19 -9.331 -0.349 -0.704
149 2HB ALA 19 2HB ALA 19 -8.194 -0.332 0.636
150 3HB ALA 19 1HB ALA 19 -8.880 1.171 0.050
151 H LYS 20 H LYS 20 -8.330 -1.735 -2.170
152 HA LYS 20 HA LYS 20 -5.824 -3.408 -1.958
153 1HB LYS 20 2HB LYS 20 -7.176 -5.315 -1.722
154 2HB LYS 20 1HB LYS 20 -7.419 -4.150 -0.432
155 1HG LYS 20 2HG LYS 20 -9.563 -3.418 -1.463
156 2HG LYS 20 1HG LYS 20 -9.346 -4.513 -2.803
157 1HD LYS 20 2HD LYS 20 -9.665 -5.356 0.134
158 2HD LYS 20 1HD LYS 20 -10.916 -5.445 -1.077
159 1HE LYS 20 2HE LYS 20 -10.096 -7.676 -0.928
160 2HE LYS 20 1HE LYS 20 -9.344 -7.033 -2.387
161 1HZ LYS 20 2HZ LYS 20 -7.700 -6.303 -0.225
162 2HZ LYS 20 1HZ LYS 20 -7.967 -7.907 0.001
163 3HZ LYS 20 3HZ LYS 20 -7.328 -7.343 -1.444
164 H LEU 21 H LEU 21 -5.271 -2.641 -4.173
165 HA LEU 21 HA LEU 21 -6.698 -3.192 -6.553
166 1HB LEU 21 2HB LEU 21 -4.555 -1.857 -6.328
167 2HB LEU 21 1HB LEU 21 -3.712 -3.334 -5.977
168 HG LEU 21 HG LEU 21 -3.781 -2.201 -8.511
169 1HD1 LEU 21 3HD1 LEU 21 -2.344 -4.084 -7.669
170 2HD1 LEU 21 2HD1 LEU 21 -3.689 -5.176 -7.871
171 3HD1 LEU 21 1HD1 LEU 21 -2.966 -4.420 -9.259
172 1HD2 LEU 21 3HD2 LEU 21 -6.266 -2.848 -8.844
173 2HD2 LEU 21 2HD2 LEU 21 -5.177 -3.607 -9.977
174 3HD2 LEU 21 1HD2 LEU 21 -5.804 -4.527 -8.649
175 H THR 22 H THR 22 -7.722 -5.022 -6.870
176 HA THR 22 HA THR 22 -6.380 -7.627 -6.347
177 HB THR 22 HB THR 22 -9.284 -7.096 -7.182
178 HG1 THR 22 HG1 THR 22 -8.234 -6.375 -5.027
179 1HG2 THR 22 3HG2 THR 22 -7.907 -9.466 -5.787
180 2HG2 THR 22 2HG2 THR 22 -9.594 -9.351 -6.243
181 3HG2 THR 22 1HG2 THR 22 -8.359 -9.510 -7.482
182 H ILE 23 H ILE 23 -4.966 -7.863 -7.807
183 HA ILE 23 HA ILE 23 -5.634 -7.994 -10.666
184 HB ILE 23 HB ILE 23 -2.980 -7.895 -10.829
185 1HG1 ILE 23 2HG1 ILE 23 -2.051 -6.451 -9.106
186 2HG1 ILE 23 1HG1 ILE 23 -3.295 -7.091 -8.033
187 1HG2 ILE 23 1HG2 ILE 23 -4.526 -6.264 -11.694
188 2HG2 ILE 23 3HG2 ILE 23 -4.687 -5.558 -10.108
189 3HG2 ILE 23 2HG2 ILE 23 -3.140 -5.492 -10.965
190 1HD1 ILE 23 2HD1 ILE 23 -1.335 -8.761 -9.656
191 2HD1 ILE 23 1HD1 ILE 23 -1.237 -8.459 -7.933
192 3HD1 ILE 23 3HD1 ILE 23 -2.563 -9.410 -8.585
193 H LYS 24 H LYS 24 -3.575 -9.368 -11.705
194 HA LYS 24 HA LYS 24 -4.142 -11.993 -10.571
195 1HB LYS 24 2HB LYS 24 -3.266 -11.244 -13.425
196 2HB LYS 24 1HB LYS 24 -3.584 -12.889 -12.952
197 1HG LYS 24 2HG LYS 24 -5.664 -12.465 -13.759
198 2HG LYS 24 1HG LYS 24 -5.927 -11.890 -12.146
199 1HD LYS 24 2HD LYS 24 -6.761 -10.158 -13.539
200 2HD LYS 24 1HD LYS 24 -5.249 -9.549 -12.947
201 1HE LYS 24 2HE LYS 24 -4.382 -10.766 -15.266
202 2HE LYS 24 1HE LYS 24 -6.040 -10.420 -15.729
203 1HZ LYS 24 1HZ LYS 24 -4.857 -8.255 -14.292
204 2HZ LYS 24 3HZ LYS 24 -3.901 -8.645 -15.569
205 3HZ LYS 24 2HZ LYS 24 -5.485 -8.128 -15.833
206 HA PRO 25 HA PRO 25 -0.080 -13.545 -9.535
207 1HB PRO 25 2HB PRO 25 0.053 -15.822 -11.180
208 2HB PRO 25 1HB PRO 25 -0.715 -15.737 -9.599
209 1HG PRO 25 2HG PRO 25 -2.043 -15.258 -12.349
210 2HG PRO 25 1HG PRO 25 -2.600 -16.339 -11.072
211 1HD PRO 25 2HD PRO 25 -3.739 -14.006 -11.197
212 2HD PRO 25 1HD PRO 25 -3.110 -14.465 -9.609
213 H GLY 26 H GLY 26 0.780 -11.522 -10.623
214 1HA GLY 26 2HA GLY 26 3.179 -11.384 -11.656
215 2HA GLY 26 1HA GLY 26 2.537 -12.274 -13.002
216 H ASP 27 H ASP 27 0.071 -10.739 -12.568
217 HA ASP 27 HA ASP 27 -0.117 -9.114 -14.699
218 1HB ASP 27 2HB ASP 27 -1.766 -9.917 -12.922
219 2HB ASP 27 1HB ASP 27 -1.335 -8.496 -12.003
220 H THR 28 H THR 28 -0.544 -6.780 -14.805
221 HA THR 28 HA THR 28 1.759 -5.267 -13.748
222 HB THR 28 HB THR 28 0.502 -4.140 -16.185
223 HG1 THR 28 HG1 THR 28 2.161 -6.393 -15.942
224 1HG2 THR 28 2HG2 THR 28 3.334 -4.763 -15.429
225 2HG2 THR 28 1HG2 THR 28 2.775 -3.827 -16.793
226 3HG2 THR 28 3HG2 THR 28 2.586 -3.205 -15.158
227 H VAL 29 H VAL 29 1.570 -3.391 -12.885
228 HA VAL 29 HA VAL 29 -1.068 -2.091 -12.565
229 HB VAL 29 HB VAL 29 1.046 -2.188 -10.526
230 1HG1 VAL 29 2HG1 VAL 29 -1.859 -1.177 -10.561
231 2HG1 VAL 29 1HG1 VAL 29 -0.877 -1.309 -9.121
232 3HG1 VAL 29 3HG1 VAL 29 -0.442 -0.166 -10.370
233 1HG2 VAL 29 1HG2 VAL 29 -1.632 -3.627 -10.853
234 2HG2 VAL 29 3HG2 VAL 29 -0.065 -4.401 -10.947
235 3HG2 VAL 29 2HG2 VAL 29 -0.609 -3.709 -9.429
236 H GLU 30 H GLU 30 -1.101 0.255 -12.539
237 HA GLU 30 HA GLU 30 1.302 1.718 -13.404
238 1HB GLU 30 2HB GLU 30 -0.486 1.878 -15.088
239 2HB GLU 30 1HB GLU 30 -1.631 2.283 -13.852
240 1HG GLU 30 2HG GLU 30 -0.421 4.421 -13.417
241 2HG GLU 30 1HG GLU 30 0.890 3.936 -14.484
242 H PHE 31 H PHE 31 2.036 3.053 -11.794
243 HA PHE 31 HA PHE 31 0.315 3.715 -9.424
244 1HB PHE 31 2HB PHE 31 3.352 3.954 -9.703
245 2HB PHE 31 1HB PHE 31 2.452 4.071 -8.216
246 HD1 PHE 31 HD2 PHE 31 0.667 1.501 -9.022
247 HD2 PHE 31 HD1 PHE 31 4.821 2.321 -8.761
248 HE1 PHE 31 HE2 PHE 31 1.115 -0.874 -8.570
249 HE2 PHE 31 HE1 PHE 31 5.266 -0.061 -8.321
250 HZ PHE 31 HZ PHE 31 3.414 -1.656 -8.221
251 H LEU 32 H LEU 32 -0.652 5.656 -9.682
252 HA LEU 32 HA LEU 32 0.796 7.817 -11.062
253 1HB LEU 32 2HB LEU 32 -1.522 6.916 -11.733
254 2HB LEU 32 1HB LEU 32 -2.147 7.739 -10.327
255 HG LEU 32 HG LEU 32 -0.502 9.201 -12.468
256 1HD1 LEU 32 3HD1 LEU 32 -3.533 8.868 -12.255
257 2HD1 LEU 32 2HD1 LEU 32 -2.692 9.882 -13.417
258 3HD1 LEU 32 1HD1 LEU 32 -2.517 8.140 -13.485
259 1HD2 LEU 32 3HD2 LEU 32 -2.572 10.174 -10.442
260 2HD2 LEU 32 2HD2 LEU 32 -0.846 10.413 -10.274
261 3HD2 LEU 32 1HD2 LEU 32 -1.699 11.173 -11.588
262 H ASN 33 H ASN 33 1.473 9.522 -10.121
263 HA ASN 33 HA ASN 33 1.154 9.968 -7.208
264 1HB ASN 33 2HB ASN 33 3.360 9.501 -8.232
265 2HB ASN 33 1HB ASN 33 3.233 10.962 -9.178
266 1HD2 ASN 33 2HD2 ASN 33 4.308 12.962 -6.539
267 2HD2 ASN 33 1HD2 ASN 33 3.554 13.004 -8.063
268 H ASN 34 H ASN 34 0.169 11.748 -6.343
269 HA ASN 34 HA ASN 34 -0.562 14.021 -8.202
270 1HB ASN 34 2HB ASN 34 -1.998 13.039 -5.674
271 2HB ASN 34 1HB ASN 34 -2.433 14.524 -6.495
272 1HD2 ASN 34 2HD2 ASN 34 -4.213 12.847 -8.940
273 2HD2 ASN 34 1HD2 ASN 34 -3.586 14.349 -8.457
274 H LYS 35 H LYS 35 -0.615 14.112 -4.732
275 HA LYS 35 HA LYS 35 1.291 16.419 -4.731
276 1HB LYS 35 2HB LYS 35 -0.204 17.709 -3.395
277 2HB LYS 35 1HB LYS 35 -1.223 16.969 -4.598
278 1HG LYS 35 2HG LYS 35 -0.842 15.912 -1.763
279 2HG LYS 35 1HG LYS 35 -2.192 16.855 -2.301
280 1HD LYS 35 2HD LYS 35 -2.382 14.837 -4.131
281 2HD LYS 35 1HD LYS 35 -1.492 13.942 -2.909
282 1HE LYS 35 2HE LYS 35 -4.224 15.254 -2.647
283 2HE LYS 35 1HE LYS 35 -3.841 13.555 -2.558
284 1HZ LYS 35 1HZ LYS 35 -2.174 14.811 -0.691
285 2HZ LYS 35 3HZ LYS 35 -3.684 15.494 -0.471
286 3HZ LYS 35 2HZ LYS 35 -3.529 13.842 -0.353
287 H VAL 36 H VAL 36 1.718 17.022 -2.279
288 HA VAL 36 HA VAL 36 3.156 16.392 -0.458
289 HB VAL 36 HB VAL 36 0.884 14.336 -0.262
290 1HG1 VAL 36 2HG1 VAL 36 2.720 15.441 1.928
291 2HG1 VAL 36 1HG1 VAL 36 1.363 14.365 2.189
292 3HG1 VAL 36 3HG1 VAL 36 2.771 13.799 1.328
293 1HG2 VAL 36 3HG2 VAL 36 0.145 16.818 -0.271
294 2HG2 VAL 36 2HG2 VAL 36 -0.133 16.059 1.287
295 3HG2 VAL 36 1HG2 VAL 36 1.251 17.095 1.046
296 HA PRO 37 HA PRO 37 4.989 12.770 -2.669
297 1HB PRO 37 2HB PRO 37 6.015 14.033 -4.941
298 2HB PRO 37 1HB PRO 37 4.319 13.589 -4.735
299 1HG PRO 37 2HG PRO 37 5.469 16.309 -4.814
300 2HG PRO 37 1HG PRO 37 3.773 15.862 -4.726
301 1HD PRO 37 2HD PRO 37 5.687 16.450 -2.443
302 2HD PRO 37 1HD PRO 37 3.960 16.813 -2.545
303 HA PRO 38 HA PRO 38 6.704 12.214 -4.481
304 1HB PRO 38 2HB PRO 38 8.926 10.938 -5.032
305 2HB PRO 38 1HB PRO 38 8.927 12.702 -5.113
306 1HG PRO 38 2HG PRO 38 9.877 10.938 -2.774
307 2HG PRO 38 1HG PRO 38 10.747 12.281 -3.520
308 1HD PRO 38 2HD PRO 38 9.094 12.518 -1.222
309 2HD PRO 38 1HD PRO 38 9.529 13.884 -2.262
310 H HIS 39 HN HIP 39 5.587 10.309 -4.661
311 HA HIS 39 HA HIP 39 5.717 8.536 -2.289
312 1HB HIS 39 2HB HIP 39 3.787 8.635 -4.632
313 2HB HIS 39 1HB HIP 39 3.572 7.593 -3.243
314 HD2 HIS 39 HD2 HIP 39 2.610 11.012 -4.493
315 HE1 HIS 39 HE1 HIP 39 1.974 11.198 -0.400
316 HE2 HIS 39 HE2 HIP 39 1.637 12.262 -2.554
317 H ASN 40 H ASN 40 7.801 7.647 -2.872
318 HA ASN 40 HA ASN 40 7.837 5.676 -5.113
319 1HB ASN 40 2HB ASN 40 9.921 7.045 -4.650
320 2HB ASN 40 1HB ASN 40 9.985 6.357 -3.036
321 1HD2 ASN 40 2HD2 ASN 40 12.038 3.939 -4.539
322 2HD2 ASN 40 1HD2 ASN 40 12.007 5.233 -3.434
323 H VAL 41 H VAL 41 6.754 3.858 -4.621
324 HA VAL 41 HA VAL 41 7.111 2.842 -1.835
325 HB VAL 41 HB VAL 41 5.085 1.920 -1.772
326 1HG1 VAL 41 3HG1 VAL 41 4.983 4.452 -1.884
327 2HG1 VAL 41 2HG1 VAL 41 4.713 4.381 -3.598
328 3HG1 VAL 41 1HG1 VAL 41 3.486 3.765 -2.509
329 1HG2 VAL 41 3HG2 VAL 41 4.869 2.304 -4.842
330 2HG2 VAL 41 2HG2 VAL 41 4.979 0.754 -4.041
331 3HG2 VAL 41 1HG2 VAL 41 3.534 1.732 -3.872
332 H VAL 42 H VAL 42 7.722 1.044 -1.347
333 HA VAL 42 HA VAL 42 8.553 -0.970 -3.424
334 HB VAL 42 HB VAL 42 10.216 -1.705 -1.650
335 1HG1 VAL 42 2HG1 VAL 42 10.807 -0.022 -3.443
336 2HG1 VAL 42 1HG1 VAL 42 10.252 1.267 -2.410
337 3HG1 VAL 42 3HG1 VAL 42 11.670 0.348 -1.957
338 1HG2 VAL 42 3HG2 VAL 42 8.953 -0.754 0.349
339 2HG2 VAL 42 2HG2 VAL 42 10.602 -0.149 0.270
340 3HG2 VAL 42 1HG2 VAL 42 9.282 0.861 -0.257
341 H PHE 43 H PHE 43 8.145 -3.411 -2.275
342 HA PHE 43 HA PHE 43 5.435 -3.178 -0.984
343 1HB PHE 43 2HB PHE 43 7.023 -5.378 -2.328
344 2HB PHE 43 1HB PHE 43 5.973 -5.883 -1.030
345 HD1 PHE 43 HD2 PHE 43 4.078 -3.288 -2.395
346 HD2 PHE 43 HD1 PHE 43 5.538 -7.166 -3.347
347 HE1 PHE 43 HE2 PHE 43 2.232 -3.594 -3.970
348 HE2 PHE 43 HE1 PHE 43 3.694 -7.467 -4.927
349 HZ PHE 43 HZ PHE 43 2.048 -5.694 -5.244
350 H ASP 44 H ASP 44 5.098 -3.876 1.132
351 HA ASP 44 HA ASP 44 7.611 -3.761 2.721
352 1HB ASP 44 2HB ASP 44 5.732 -2.568 3.687
353 2HB ASP 44 1HB ASP 44 4.757 -4.039 3.740
354 H ALA 45 H ALA 45 7.485 -5.595 4.794
355 HA ALA 45 HA ALA 45 7.478 -8.294 3.668
356 1HB ALA 45 2HB ALA 45 9.038 -7.075 6.004
357 2HB ALA 45 1HB ALA 45 9.144 -8.743 5.475
358 3HB ALA 45 3HB ALA 45 9.701 -7.471 4.414
359 H ALA 46 H ALA 46 6.770 -6.463 6.683
360 HA ALA 46 HA ALA 46 5.458 -8.518 8.128
361 1HB ALA 46 3HB ALA 46 4.812 -5.498 7.964
362 2HB ALA 46 2HB ALA 46 4.338 -6.532 9.303
363 3HB ALA 46 1HB ALA 46 6.031 -6.185 9.013
364 H LEU 47 H LEU 47 4.357 -6.317 5.722
365 HA LEU 47 HA LEU 47 1.717 -7.672 5.477
366 1HB LEU 47 2HB LEU 47 2.925 -5.189 4.282
367 2HB LEU 47 1HB LEU 47 1.380 -5.822 3.740
368 HG LEU 47 HG LEU 47 1.034 -3.997 5.325
369 1HD1 LEU 47 1HD1 LEU 47 -0.595 -5.854 5.285
370 2HD1 LEU 47 3HD1 LEU 47 0.292 -6.684 6.557
371 3HD1 LEU 47 2HD1 LEU 47 -0.467 -5.144 6.886
372 1HD2 LEU 47 2HD2 LEU 47 3.113 -4.267 6.659
373 2HD2 LEU 47 1HD2 LEU 47 1.686 -4.203 7.676
374 3HD2 LEU 47 3HD2 LEU 47 2.466 -5.734 7.369
375 H ASN 48 H ASN 48 3.895 -9.284 4.626
376 HA ASN 48 HA ASN 48 3.370 -9.656 1.685
377 1HB ASN 48 2HB ASN 48 5.845 -9.783 3.285
378 2HB ASN 48 1HB ASN 48 5.562 -11.359 2.595
379 1HD2 ASN 48 2HD2 ASN 48 7.338 -9.038 0.282
380 2HD2 ASN 48 1HD2 ASN 48 7.629 -9.387 1.931
381 HA PRO 49 HA PRO 49 1.692 -13.681 3.036
382 1HB PRO 49 2HB PRO 49 2.597 -15.570 1.285
383 2HB PRO 49 1HB PRO 49 1.489 -14.317 0.770
384 1HG PRO 49 2HG PRO 49 4.499 -14.433 0.360
385 2HG PRO 49 1HG PRO 49 3.248 -13.901 -0.747
386 1HD PRO 49 2HD PRO 49 4.774 -12.151 0.781
387 2HD PRO 49 1HD PRO 49 3.213 -11.718 0.107
388 H ALA 50 H ALA 50 5.160 -14.408 2.314
389 HA ALA 50 HA ALA 50 5.341 -15.905 4.889
390 1HB ALA 50 2HB ALA 50 6.121 -16.977 2.758
391 2HB ALA 50 1HB ALA 50 7.230 -15.641 2.510
392 3HB ALA 50 3HB ALA 50 7.477 -16.726 3.858
393 H LYS 51 H LYS 51 5.061 -13.268 5.037
394 HA LYS 51 HA LYS 51 5.997 -11.156 5.665
395 1HB LYS 51 2HB LYS 51 6.944 -13.010 7.881
396 2HB LYS 51 1HB LYS 51 6.413 -11.361 8.085
397 1HG LYS 51 2HG LYS 51 4.642 -13.703 7.176
398 2HG LYS 51 1HG LYS 51 4.662 -13.027 8.787
399 1HD LYS 51 2HD LYS 51 3.633 -11.014 8.161
400 2HD LYS 51 1HD LYS 51 4.162 -11.094 6.500
401 1HE LYS 51 2HE LYS 51 2.593 -12.983 6.089
402 2HE LYS 51 1HE LYS 51 2.010 -12.826 7.748
403 1HZ LYS 51 2HZ LYS 51 2.148 -10.253 6.685
404 2HZ LYS 51 1HZ LYS 51 1.475 -11.191 5.469
405 3HZ LYS 51 3HZ LYS 51 0.709 -11.077 6.991
406 H SER 52 H SER 52 7.886 -12.309 3.971
407 HA SER 52 HA SER 52 10.530 -11.375 4.998
408 1HB SER 52 2HB SER 52 9.689 -13.513 3.067
409 2HB SER 52 1HB SER 52 11.382 -13.062 3.177
410 HG SER 52 HG SER 52 9.680 -14.060 5.133
411 H ALA 53 H ALA 53 11.605 -11.619 2.448
412 HA ALA 53 HA ALA 53 10.770 -9.210 0.836
413 1HB ALA 53 3HB ALA 53 13.117 -9.180 2.027
414 2HB ALA 53 2HB ALA 53 13.491 -10.648 1.142
415 3HB ALA 53 1HB ALA 53 13.229 -9.154 0.271
416 H ASP 54 H ASP 54 9.419 -11.498 1.005
417 HA ASP 54 HA ASP 54 9.604 -13.784 -0.160
418 1HB ASP 54 2HB ASP 54 7.498 -11.582 -0.607
419 2HB ASP 54 1HB ASP 54 7.180 -13.263 -1.010
420 H LEU 55 H LEU 55 8.464 -11.528 -2.333
421 HA LEU 55 HA LEU 55 9.904 -12.720 -4.682
422 1HB LEU 55 2HB LEU 55 8.192 -11.044 -5.840
423 2HB LEU 55 1HB LEU 55 7.551 -12.520 -5.180
424 HG LEU 55 HG LEU 55 6.651 -11.391 -3.201
425 1HD1 LEU 55 3HD1 LEU 55 8.027 -8.831 -4.178
426 2HD1 LEU 55 2HD1 LEU 55 6.976 -8.956 -2.778
427 3HD1 LEU 55 1HD1 LEU 55 8.538 -9.718 -2.770
428 1HD2 LEU 55 2HD2 LEU 55 5.399 -11.113 -5.300
429 2HD2 LEU 55 1HD2 LEU 55 5.192 -9.705 -4.263
430 3HD2 LEU 55 3HD2 LEU 55 6.273 -9.630 -5.646
431 H ALA 56 H ALA 56 11.340 -11.572 -2.820
432 HA ALA 56 HA ALA 56 12.835 -9.845 -2.196
433 1HB ALA 56 3HB ALA 56 13.729 -10.770 -4.268
434 2HB ALA 56 2HB ALA 56 12.754 -9.637 -5.209
435 3HB ALA 56 1HB ALA 56 14.056 -9.038 -4.180
436 H LYS 57 H LYS 57 10.429 -8.978 -1.655
437 HA LYS 57 HA LYS 57 8.876 -6.886 -2.465
438 1HB LYS 57 2HB LYS 57 8.961 -5.959 -0.128
439 2HB LYS 57 1HB LYS 57 9.391 -7.612 0.098
440 1HG LYS 57 2HG LYS 57 11.816 -7.047 0.242
441 2HG LYS 57 1HG LYS 57 11.478 -5.362 -0.065
442 1HD LYS 57 2HD LYS 57 10.468 -6.941 2.398
443 2HD LYS 57 1HD LYS 57 11.825 -5.826 2.436
444 1HE LYS 57 2HE LYS 57 10.113 -4.003 1.639
445 2HE LYS 57 1HE LYS 57 8.945 -5.282 1.946
446 1HZ LYS 57 2HZ LYS 57 10.377 -5.163 4.315
447 2HZ LYS 57 1HZ LYS 57 10.114 -3.542 3.895
448 3HZ LYS 57 3HZ LYS 57 8.842 -4.528 4.075
449 H SER 58 H SER 58 12.215 -5.868 -2.553
450 HA SER 58 HA SER 58 11.599 -3.074 -2.998
451 1HB SER 58 2HB SER 58 14.004 -3.735 -3.481
452 2HB SER 58 1HB SER 58 13.451 -4.855 -4.739
453 HG SER 58 HG SER 58 13.726 -2.122 -4.864
454 H LEU 59 H LEU 59 11.260 -5.975 -4.731
455 HA LEU 59 HA LEU 59 10.371 -6.152 -7.121
456 1HB LEU 59 2HB LEU 59 9.798 -7.590 -5.089
457 2HB LEU 59 1HB LEU 59 8.259 -6.778 -5.094
458 HG LEU 59 HG LEU 59 8.103 -8.908 -6.358
459 1HD1 LEU 59 1HD1 LEU 59 6.748 -6.911 -7.159
460 2HD1 LEU 59 3HD1 LEU 59 8.028 -6.540 -8.293
461 3HD1 LEU 59 2HD1 LEU 59 7.150 -8.024 -8.454
462 1HD2 LEU 59 3HD2 LEU 59 10.478 -8.996 -7.111
463 2HD2 LEU 59 2HD2 LEU 59 9.356 -9.261 -8.413
464 3HD2 LEU 59 1HD2 LEU 59 10.163 -7.725 -8.276
465 H SER 60 H SER 60 8.297 -4.730 -4.758
466 HA SER 60 HA SER 60 6.337 -3.480 -6.633
467 1HB SER 60 2HB SER 60 6.291 -3.581 -4.002
468 2HB SER 60 1HB SER 60 7.154 -2.050 -4.154
469 HG SER 60 HG SER 60 4.542 -2.595 -4.776
470 H HIS 61 H HIS 61 6.582 -0.635 -5.855
471 HA HIS 61 HA HIS 61 8.125 0.056 -8.265
472 1HB HIS 61 2HB HIS 61 6.187 1.530 -7.207
473 2HB HIS 61 1HB HIS 61 7.462 2.202 -6.195
474 HD1 HIS 61 HD1 HIS 61 7.347 1.281 -9.845
475 HD2 HIS 61 HD2 HIS 61 8.571 4.358 -7.428
476 HE1 HIS 61 HE1 HIS 61 8.430 2.996 -11.325
477 H LYS 62 H LYS 62 9.758 2.130 -7.996
478 HA LYS 62 HA LYS 62 11.858 1.600 -5.994
479 1HB LYS 62 2HB LYS 62 12.052 0.974 -8.909
480 2HB LYS 62 1HB LYS 62 13.455 1.728 -8.208
481 1HG LYS 62 2HG LYS 62 14.112 -0.099 -7.058
482 2HG LYS 62 1HG LYS 62 12.514 -0.429 -6.436
483 1HD LYS 62 2HD LYS 62 13.327 -1.055 -9.341
484 2HD LYS 62 1HD LYS 62 13.504 -2.231 -8.054
485 1HE LYS 62 2HE LYS 62 10.852 -0.861 -8.680
486 2HE LYS 62 1HE LYS 62 11.320 -2.423 -9.342
487 1HZ LYS 62 3HZ LYS 62 11.863 -2.533 -6.543
488 2HZ LYS 62 2HZ LYS 62 10.405 -1.800 -6.718
489 3HZ LYS 62 1HZ LYS 62 10.551 -3.254 -7.386
490 H GLN 63 H GLN 63 10.835 4.017 -8.372
491 HA GLN 63 HA GLN 63 13.012 5.757 -7.312
492 1HB GLN 63 2HB GLN 63 12.995 5.253 -9.722
493 2HB GLN 63 1HB GLN 63 11.400 5.949 -9.875
494 1HG GLN 63 2HG GLN 63 12.308 8.231 -9.292
495 2HG GLN 63 1HG GLN 63 13.897 7.531 -8.977
496 1HE2 GLN 63 2HE2 GLN 63 13.165 8.644 -12.620
497 2HE2 GLN 63 1HE2 GLN 63 12.237 9.211 -11.302
498 H LEU 64 H LEU 64 12.654 8.065 -7.245
499 HA LEU 64 HA LEU 64 10.421 8.741 -5.508
500 1HB LEU 64 2HB LEU 64 11.574 10.995 -5.443
501 2HB LEU 64 1HB LEU 64 12.543 9.648 -4.915
502 HG LEU 64 HG LEU 64 12.772 10.373 -7.848
503 1HD1 LEU 64 1HD1 LEU 64 14.003 11.995 -5.557
504 2HD1 LEU 64 3HD1 LEU 64 14.348 12.200 -7.262
505 3HD1 LEU 64 2HD1 LEU 64 12.757 12.582 -6.643
506 1HD2 LEU 64 2HD2 LEU 64 14.217 8.552 -6.658
507 2HD2 LEU 64 1HD2 LEU 64 15.157 9.865 -7.328
508 3HD2 LEU 64 3HD2 LEU 64 14.812 9.815 -5.616
509 H LEU 65 H LEU 65 8.490 8.806 -6.484
510 HA LEU 65 HA LEU 65 7.950 10.214 -8.971
511 1HB LEU 65 2HB LEU 65 6.177 9.101 -6.729
512 2HB LEU 65 1HB LEU 65 5.526 9.913 -8.125
513 HG LEU 65 HG LEU 65 6.398 8.230 -9.652
514 1HD1 LEU 65 2HD1 LEU 65 7.527 6.866 -7.174
515 2HD1 LEU 65 1HD1 LEU 65 7.509 6.213 -8.798
516 3HD1 LEU 65 3HD1 LEU 65 8.487 7.607 -8.451
517 1HD2 LEU 65 3HD2 LEU 65 5.086 6.987 -7.188
518 2HD2 LEU 65 2HD2 LEU 65 4.230 7.730 -8.530
519 3HD2 LEU 65 1HD2 LEU 65 5.135 6.262 -8.781
520 H MET 66 H MET 66 9.094 12.155 -8.383
521 HA MET 66 HA MET 66 7.783 14.112 -6.528
522 1HB MET 66 2HB MET 66 10.375 13.438 -7.165
523 2HB MET 66 1HB MET 66 10.106 14.857 -8.155
524 1HG MET 66 2HG MET 66 9.951 14.688 -5.129
525 2HG MET 66 1HG MET 66 11.044 15.635 -6.088
526 1HE MET 66 2HE MET 66 7.681 15.395 -4.342
527 2HE MET 66 1HE MET 66 8.995 16.251 -3.507
528 3HE MET 66 3HE MET 66 7.554 17.109 -3.992
529 H SER 67 H SER 67 6.582 13.292 -8.865
530 HA SER 67 HA SER 67 6.346 15.816 -10.502
531 1HB SER 67 2HB SER 67 7.139 13.874 -11.734
532 2HB SER 67 1HB SER 67 5.633 13.037 -11.350
533 HG SER 67 HG SER 67 5.990 14.848 -13.283
534 HA PRO 68 HA PRO 68 2.261 16.149 -8.767
535 1HB PRO 68 2HB PRO 68 1.590 18.572 -9.652
536 2HB PRO 68 1HB PRO 68 3.077 18.394 -8.706
537 1HG PRO 68 2HG PRO 68 2.795 18.328 -11.775
538 2HG PRO 68 1HG PRO 68 3.815 19.431 -10.846
539 1HD PRO 68 2HD PRO 68 4.810 17.063 -11.865
540 2HD PRO 68 1HD PRO 68 5.378 17.696 -10.296
541 H GLY 69 H GLY 69 1.926 14.267 -10.338
542 1HA GLY 69 2HA GLY 69 -0.396 13.492 -11.176
543 2HA GLY 69 1HA GLY 69 -0.346 14.881 -12.255
544 H GLN 70 H GLN 70 1.873 12.392 -11.413
545 HA GLN 70 HA GLN 70 2.179 11.623 -14.317
546 1HB GLN 70 2HB GLN 70 4.099 12.936 -13.514
547 2HB GLN 70 1HB GLN 70 4.267 11.848 -12.153
548 1HG GLN 70 2HG GLN 70 4.840 9.926 -13.727
549 2HG GLN 70 1HG GLN 70 4.722 11.028 -15.087
550 1HE2 GLN 70 2HE2 GLN 70 8.094 11.767 -14.645
551 2HE2 GLN 70 1HE2 GLN 70 6.823 11.467 -15.745
552 H SER 71 H SER 71 2.419 9.462 -14.867
553 HA SER 71 HA SER 71 1.955 7.480 -12.674
554 1HB SER 71 2HB SER 71 0.781 6.165 -14.341
555 2HB SER 71 1HB SER 71 0.039 7.734 -14.065
556 HG SER 71 HG SER 71 0.796 6.810 -16.279
557 H THR 72 H THR 72 3.237 5.847 -12.420
558 HA THR 72 HA THR 72 5.381 5.165 -14.463
559 HB THR 72 HB THR 72 6.425 5.966 -12.449
560 HG1 THR 72 HG1 THR 72 6.764 3.287 -12.088
561 1HG2 THR 72 2HG2 THR 72 5.075 3.559 -11.092
562 2HG2 THR 72 1HG2 THR 72 6.210 4.690 -10.360
563 3HG2 THR 72 3HG2 THR 72 4.599 5.225 -10.801
564 H SER 73 H SER 73 5.763 2.790 -14.829
565 HA SER 73 HA SER 73 3.442 1.091 -13.876
566 1HB SER 73 2HB SER 73 3.572 -0.174 -15.893
567 2HB SER 73 1HB SER 73 3.528 1.553 -16.292
568 HG SER 73 HG SER 73 5.547 1.354 -17.070
569 H THR 74 H THR 74 3.659 -0.927 -13.170
570 HA THR 74 HA THR 74 6.321 -2.278 -13.025
571 HB THR 74 HB THR 74 4.741 -1.591 -10.465
572 HG1 THR 74 HG1 THR 74 6.661 -0.393 -11.938
573 1HG2 THR 74 3HG2 THR 74 7.532 -2.800 -10.883
574 2HG2 THR 74 2HG2 THR 74 6.758 -2.480 -9.351
575 3HG2 THR 74 1HG2 THR 74 6.160 -3.771 -10.372
576 H THR 75 H THR 75 6.205 -4.473 -13.182
577 HA THR 75 HA THR 75 3.515 -5.854 -12.946
578 HB THR 75 HB THR 75 5.088 -5.807 -15.239
579 HG1 THR 75 HG1 THR 75 3.311 -7.884 -14.377
580 1HG2 THR 75 1HG2 THR 75 6.555 -7.712 -14.277
581 2HG2 THR 75 3HG2 THR 75 5.089 -8.658 -14.105
582 3HG2 THR 75 2HG2 THR 75 5.596 -8.128 -15.685
583 H PHE 76 H PHE 76 3.710 -8.221 -12.286
584 HA PHE 76 HA PHE 76 5.990 -8.574 -10.339
585 1HB PHE 76 2HB PHE 76 3.237 -9.920 -10.308
586 2HB PHE 76 1HB PHE 76 4.440 -10.047 -9.033
587 HD1 PHE 76 HD2 PHE 76 4.988 -8.018 -7.692
588 HD2 PHE 76 HD1 PHE 76 1.917 -7.968 -10.618
589 HE1 PHE 76 HE2 PHE 76 4.132 -5.916 -6.755
590 HE2 PHE 76 HE1 PHE 76 1.046 -5.893 -9.692
591 HZ PHE 76 HZ PHE 76 2.146 -4.854 -7.744
592 HA PRO 77 HA PRO 77 7.979 -11.603 -12.752
593 1HB PRO 77 2HB PRO 77 8.674 -13.515 -10.827
594 2HB PRO 77 1HB PRO 77 9.539 -12.014 -11.114
595 1HG PRO 77 2HG PRO 77 7.266 -12.510 -9.111
596 2HG PRO 77 1HG PRO 77 8.847 -11.829 -8.772
597 1HD PRO 77 2HD PRO 77 6.846 -10.142 -9.136
598 2HD PRO 77 1HD PRO 77 8.308 -9.804 -10.103
599 H ALA 78 H ALA 78 5.576 -12.984 -10.800
600 HA ALA 78 HA ALA 78 3.668 -14.155 -12.245
601 1HB ALA 78 3HB ALA 78 6.045 -16.087 -12.486
602 2HB ALA 78 2HB ALA 78 4.396 -16.462 -12.974
603 3HB ALA 78 1HB ALA 78 5.298 -15.230 -13.825
604 H ASP 79 H ASP 79 6.120 -15.413 -10.079
605 HA ASP 79 HA ASP 79 4.672 -17.311 -8.629
606 1HB ASP 79 2HB ASP 79 6.569 -16.608 -6.865
607 2HB ASP 79 1HB ASP 79 7.138 -17.071 -8.459
608 H ALA 80 H ALA 80 5.164 -14.097 -7.568
609 HA ALA 80 HA ALA 80 4.109 -13.331 -5.391
610 1HB ALA 80 1HB ALA 80 4.437 -11.806 -7.275
611 2HB ALA 80 3HB ALA 80 2.949 -12.377 -8.023
612 3HB ALA 80 2HB ALA 80 2.872 -11.445 -6.533
613 HA PRO 81 HA PRO 81 0.739 -16.394 -5.913
614 1HB PRO 81 2HB PRO 81 0.599 -17.489 -3.371
615 2HB PRO 81 1HB PRO 81 1.891 -17.868 -4.524
616 1HG PRO 81 2HG PRO 81 1.923 -15.630 -2.397
617 2HG PRO 81 1HG PRO 81 3.073 -16.968 -2.534
618 1HD PRO 81 2HD PRO 81 3.715 -14.650 -3.705
619 2HD PRO 81 1HD PRO 81 3.912 -16.119 -4.694
620 H ALA 82 H ALA 82 -1.427 -16.737 -5.330
621 HA ALA 82 HA ALA 82 -3.062 -14.538 -5.125
622 1HB ALA 82 1HB ALA 82 -3.645 -17.442 -4.420
623 2HB ALA 82 3HB ALA 82 -4.871 -16.232 -4.747
624 3HB ALA 82 2HB ALA 82 -3.759 -16.699 -6.018
625 H GLY 83 H GLY 83 -1.928 -13.457 -3.246
626 1HA GLY 83 2HA GLY 83 -3.620 -13.640 -0.780
627 2HA GLY 83 1HA GLY 83 -1.866 -13.506 -0.634
628 H GLU 84 H GLU 84 -2.963 -11.632 0.633
629 HA GLU 84 HA GLU 84 -3.164 -9.205 -1.136
630 1HB GLU 84 2HB GLU 84 -5.163 -9.892 0.256
631 2HB GLU 84 1HB GLU 84 -4.230 -9.426 1.666
632 1HG GLU 84 2HG GLU 84 -3.807 -7.150 0.607
633 2HG GLU 84 1HG GLU 84 -4.704 -7.624 -0.782
634 H TYR 85 H TYR 85 -1.206 -8.271 -1.170
635 HA TYR 85 HA TYR 85 0.395 -7.943 1.359
636 1HB TYR 85 2HB TYR 85 1.533 -7.703 -1.448
637 2HB TYR 85 1HB TYR 85 2.386 -8.093 0.041
638 HD1 TYR 85 HD1 TYR 85 0.848 -10.121 1.319
639 HD2 TYR 85 HD2 TYR 85 1.531 -9.596 -2.842
640 HE1 TYR 85 HE1 TYR 85 0.432 -12.521 0.931
641 HE2 TYR 85 HE2 TYR 85 1.107 -12.013 -3.202
642 HH TYR 85 HH TYR 85 0.239 -13.795 -2.263
643 H THR 86 H THR 86 1.729 -5.966 1.542
644 HA THR 86 HA THR 86 0.157 -3.588 0.541
645 HB THR 86 HB THR 86 1.626 -3.931 3.141
646 HG1 THR 86 HG1 THR 86 -0.634 -2.548 2.215
647 1HG2 THR 86 1HG2 THR 86 0.812 -1.188 2.069
648 2HG2 THR 86 3HG2 THR 86 1.359 -1.603 3.679
649 3HG2 THR 86 2HG2 THR 86 2.477 -1.677 2.341
650 H PHE 87 H PHE 87 0.766 -1.793 -0.178
651 HA PHE 87 HA PHE 87 3.472 -1.670 -1.317
652 1HB PHE 87 2HB PHE 87 1.451 0.632 -1.563
653 2HB PHE 87 1HB PHE 87 2.681 0.235 -2.722
654 HD1 PHE 87 HD1 PHE 87 -0.617 -0.452 -1.495
655 HD2 PHE 87 HD2 PHE 87 2.117 -1.260 -4.615
656 HE1 PHE 87 HE1 PHE 87 -2.465 -1.364 -2.844
657 HE2 PHE 87 HE2 PHE 87 0.284 -2.179 -5.986
658 HZ PHE 87 HZ PHE 87 -2.023 -2.223 -5.069
659 H TYR 88 H TYR 88 4.912 -0.540 -0.371
660 HA TYR 88 HA TYR 88 4.137 1.139 1.868
661 1HB TYR 88 2HB TYR 88 5.094 -0.984 2.384
662 2HB TYR 88 1HB TYR 88 6.399 -0.784 1.231
663 HD1 TYR 88 HD2 TYR 88 8.152 0.835 1.616
664 HD2 TYR 88 HD1 TYR 88 5.171 -0.002 4.500
665 HE1 TYR 88 HE2 TYR 88 9.524 1.882 3.275
666 HE2 TYR 88 HE1 TYR 88 6.507 1.032 6.188
667 HH TYR 88 HH TYR 88 9.547 2.666 5.413
668 H CYS 89 H CYS 89 4.290 3.191 1.523
669 HA CYS 89 HA CYS 89 6.362 4.404 -0.267
670 1HB CYS 89 2HB CYS 89 3.825 4.907 -0.275
671 2HB CYS 89 1HB CYS 89 4.141 5.753 1.216
672 H GLU 90 H GLU 90 8.037 3.888 1.201
673 HA GLU 90 HA GLU 90 8.774 4.401 3.657
674 1HB GLU 90 2HB GLU 90 10.374 3.751 2.034
675 2HB GLU 90 1HB GLU 90 10.242 5.231 1.117
676 1HG GLU 90 2HG GLU 90 12.343 5.141 2.596
677 2HG GLU 90 1HG GLU 90 11.331 6.489 3.043
678 HA PRO 91 HA PRO 91 9.530 9.089 4.020
679 1HB PRO 91 2HB PRO 91 8.718 10.823 2.076
680 2HB PRO 91 1HB PRO 91 10.244 9.938 1.953
681 1HG PRO 91 2HG PRO 91 7.504 9.051 0.831
682 2HG PRO 91 1HG PRO 91 8.982 9.318 -0.098
683 1HD PRO 91 2HD PRO 91 8.465 6.813 0.747
684 2HD PRO 91 1HD PRO 91 10.112 7.435 0.994
685 H HIS 92 HN HIP 92 6.663 7.699 3.252
686 HA HIS 92 HA HIP 92 5.047 9.671 4.849
687 1HB HIS 92 2HB HIP 92 4.173 7.925 2.488
688 2HB HIS 92 1HB HIP 92 3.126 9.044 3.357
689 HD2 HIS 92 HD2 HIP 92 5.302 11.570 3.524
690 HE1 HIS 92 HE1 HIP 92 5.128 11.383 -0.639
691 HE2 HIS 92 HE2 HIP 92 5.730 12.720 1.295
692 H ARG 93 H ARG 93 5.338 6.279 4.080
693 HA ARG 93 HA ARG 93 4.551 4.335 5.234
694 1HB ARG 93 2HB ARG 93 5.577 6.222 7.406
695 2HB ARG 93 1HB ARG 93 5.280 4.531 7.751
696 1HG ARG 93 2HG ARG 93 7.050 3.771 6.344
697 2HG ARG 93 1HG ARG 93 7.053 5.240 5.409
698 1HD ARG 93 2HD ARG 93 7.992 6.515 7.241
699 2HD ARG 93 1HD ARG 93 7.891 5.151 8.356
700 HE ARG 93 HE ARG 93 9.626 5.133 5.832
701 1HH1 ARG 93 2HH1 ARG 93 8.921 2.923 7.610
702 2HH1 ARG 93 1HH1 ARG 93 10.415 2.620 8.457
703 1HH2 ARG 93 1HH2 ARG 93 11.459 5.615 7.064
704 2HH2 ARG 93 2HH2 ARG 93 12.047 4.355 8.095
705 H GLY 94 H GLY 94 3.528 4.198 7.858
706 1HA GLY 94 2HA GLY 94 0.863 3.751 7.780
707 2HA GLY 94 1HA GLY 94 1.564 4.429 9.221
708 H ALA 95 H ALA 95 2.005 7.022 8.288
709 HA ALA 95 HA ALA 95 -0.803 8.035 8.271
710 1HB ALA 95 2HB ALA 95 0.709 8.712 10.143
711 2HB ALA 95 1HB ALA 95 1.860 9.359 8.980
712 3HB ALA 95 3HB ALA 95 0.290 10.112 9.167
713 H GLY 96 H GLY 96 -0.710 7.313 6.042
714 1HA GLY 96 2HA GLY 96 -1.222 9.141 4.121
715 2HA GLY 96 1HA GLY 96 0.527 9.217 4.081
716 H MET 97 H MET 97 0.958 6.332 4.321
717 HA MET 97 HA MET 97 -0.413 5.442 1.819
718 1HB MET 97 2HB MET 97 2.474 5.828 2.314
719 2HB MET 97 1HB MET 97 2.072 4.436 1.323
720 1HG MET 97 2HG MET 97 2.069 5.971 -0.420
721 2HG MET 97 1HG MET 97 0.472 6.267 0.129
722 1HE MET 97 1HE MET 97 -0.464 8.072 0.095
723 2HE MET 97 3HE MET 97 0.052 9.628 0.642
724 3HE MET 97 2HE MET 97 0.418 9.104 -1.011
725 H VAL 98 H VAL 98 -1.646 4.186 3.224
726 HA VAL 98 HA VAL 98 -0.437 1.500 3.862
727 HB VAL 98 HB VAL 98 -2.928 2.805 5.022
728 1HG1 VAL 98 3HG1 VAL 98 -1.384 0.281 5.817
729 2HG1 VAL 98 2HG1 VAL 98 -2.761 0.948 6.676
730 3HG1 VAL 98 1HG1 VAL 98 -2.970 0.297 5.064
731 1HG2 VAL 98 1HG2 VAL 98 -0.137 2.365 6.194
732 2HG2 VAL 98 3HG2 VAL 98 -0.792 3.927 5.739
733 3HG2 VAL 98 2HG2 VAL 98 -1.507 3.039 7.066
734 H GLY 99 H GLY 99 -0.751 0.996 1.453
735 1HA GLY 99 2HA GLY 99 -3.601 0.135 0.852
736 2HA GLY 99 1HA GLY 99 -2.515 0.733 -0.385
737 H LYS 100 H LYS 100 -3.799 -1.606 -0.742
738 HA LYS 100 HA LYS 100 -1.522 -3.494 -0.723
739 1HB LYS 100 2HB LYS 100 -4.345 -4.030 0.256
740 2HB LYS 100 1HB LYS 100 -3.242 -5.330 -0.150
741 1HG LYS 100 2HG LYS 100 -1.549 -4.374 1.412
742 2HG LYS 100 1HG LYS 100 -2.704 -3.195 1.989
743 1HD LYS 100 2HD LYS 100 -2.975 -6.246 2.100
744 2HD LYS 100 1HD LYS 100 -2.441 -5.250 3.417
745 1HE LYS 100 2HE LYS 100 -4.507 -4.375 3.883
746 2HE LYS 100 1HE LYS 100 -5.088 -4.520 2.235
747 1HZ LYS 100 2HZ LYS 100 -4.462 -7.116 3.033
748 2HZ LYS 100 1HZ LYS 100 -5.361 -6.483 4.333
749 3HZ LYS 100 3HZ LYS 100 -5.961 -6.501 2.752
750 H ILE 101 H ILE 101 -1.505 -5.180 -1.891
751 HA ILE 101 HA ILE 101 -2.773 -5.166 -4.602
752 HB ILE 101 HB ILE 101 0.022 -5.461 -3.679
753 1HG1 ILE 101 2HG1 ILE 101 -1.203 -4.161 -5.743
754 2HG1 ILE 101 1HG1 ILE 101 0.507 -4.455 -5.698
755 1HG2 ILE 101 3HG2 ILE 101 -0.980 -7.728 -5.500
756 2HG2 ILE 101 2HG2 ILE 101 0.705 -7.374 -5.228
757 3HG2 ILE 101 1HG2 ILE 101 -0.285 -7.944 -3.912
758 1HD1 ILE 101 2HD1 ILE 101 -1.563 -6.255 -7.055
759 2HD1 ILE 101 1HD1 ILE 101 -0.488 -5.180 -7.931
760 3HD1 ILE 101 3HD1 ILE 101 0.150 -6.566 -7.109
761 H THR 102 H THR 102 -4.199 -6.762 -4.776
762 HA THR 102 HA THR 102 -4.024 -9.231 -3.063
763 HB THR 102 HB THR 102 -6.594 -8.320 -4.474
764 HG1 THR 102 HG1 THR 102 -5.173 -7.214 -2.504
765 1HG2 THR 102 1HG2 THR 102 -6.318 -10.654 -3.337
766 2HG2 THR 102 3HG2 THR 102 -5.959 -9.784 -1.856
767 3HG2 THR 102 2HG2 THR 102 -7.535 -9.619 -2.615
768 H VAL 103 H VAL 103 -3.425 -10.972 -4.191
769 HA VAL 103 HA VAL 103 -3.674 -10.903 -7.186
770 HB VAL 103 HB VAL 103 -1.996 -12.657 -5.334
771 1HG1 VAL 103 1HG1 VAL 103 -1.980 -12.391 -8.373
772 2HG1 VAL 103 3HG1 VAL 103 -0.880 -13.370 -7.419
773 3HG1 VAL 103 2HG1 VAL 103 -2.573 -13.802 -7.506
774 1HG2 VAL 103 1HG2 VAL 103 -1.239 -10.280 -5.465
775 2HG2 VAL 103 3HG2 VAL 103 -0.107 -11.383 -6.218
776 3HG2 VAL 103 2HG2 VAL 103 -1.171 -10.420 -7.216
777 H ALA 104 H ALA 104 -5.099 -12.072 -8.193
778 HA ALA 104 HA ALA 104 -6.512 -14.308 -6.762
779 1HB ALA 104 1HB ALA 104 -7.462 -12.364 -8.933
780 2HB ALA 104 3HB ALA 104 -8.469 -13.616 -8.219
781 3HB ALA 104 2HB ALA 104 -7.881 -12.284 -7.231
782 H GLY 105 HN GLY 105 -7.177 -14.014 -10.073
783 1HA GLY 105 2HA GLY 105 -5.319 -16.169 -10.953
784 2HA GLY 105 1HA GLY 105 -7.060 -16.296 -11.257
No H/Q in entry = 784
Start of MODEL 6
1 1H GLU 1 2H GLU 1 -4.744 -5.752 -14.098
2 2H GLU 1 1H GLU 1 -6.145 -6.080 -15.002
3 3H GLU 1 3H GLU 1 -4.796 -7.076 -15.122
4 HA GLU 1 HA GLU 1 -3.708 -5.844 -16.564
5 1HB GLU 1 2HB GLU 1 -6.467 -4.438 -16.630
6 2HB GLU 1 1HB GLU 1 -5.288 -4.339 -17.920
7 1HG GLU 1 2HG GLU 1 -7.092 -6.158 -18.340
8 2HG GLU 1 1HG GLU 1 -5.477 -6.817 -18.367
9 H THR 2 H THR 2 -2.310 -3.677 -16.542
10 HA THR 2 HA THR 2 -2.083 -2.403 -14.016
11 HB THR 2 HB THR 2 -0.516 -2.269 -16.230
12 HG1 THR 2 HG1 THR 2 -0.362 0.025 -14.897
13 1HG2 THR 2 3HG2 THR 2 -2.045 -0.722 -17.448
14 2HG2 THR 2 2HG2 THR 2 -1.765 0.443 -16.151
15 3HG2 THR 2 1HG2 THR 2 -0.408 -0.161 -17.103
16 H TYR 3 H TYR 3 -3.746 -2.096 -13.041
17 HA TYR 3 HA TYR 3 -5.815 -0.184 -13.864
18 1HB TYR 3 2HB TYR 3 -5.256 -1.355 -11.074
19 2HB TYR 3 1HB TYR 3 -6.761 -0.625 -11.580
20 HD1 TYR 3 HD2 TYR 3 -8.068 -1.749 -13.450
21 HD2 TYR 3 HD1 TYR 3 -4.860 -3.694 -11.442
22 HE1 TYR 3 HE2 TYR 3 -8.896 -3.940 -14.228
23 HE2 TYR 3 HE1 TYR 3 -5.719 -5.874 -12.226
24 HH TYR 3 HH TYR 3 -8.259 -6.099 -14.544
25 H THR 4 H THR 4 -6.034 1.911 -13.148
26 HA THR 4 HA THR 4 -3.568 3.293 -12.460
27 HB THR 4 HB THR 4 -5.025 4.394 -14.026
28 HG1 THR 4 HG1 THR 4 -4.060 5.676 -12.643
29 1HG2 THR 4 2HG2 THR 4 -7.123 4.388 -11.813
30 2HG2 THR 4 1HG2 THR 4 -7.276 5.213 -13.358
31 3HG2 THR 4 3HG2 THR 4 -7.255 3.463 -13.279
32 H VAL 5 H VAL 5 -3.291 2.094 -10.461
33 HA VAL 5 HA VAL 5 -4.785 3.022 -8.089
34 HB VAL 5 HB VAL 5 -2.186 1.405 -8.267
35 1HG1 VAL 5 1HG1 VAL 5 -4.259 1.675 -6.023
36 2HG1 VAL 5 3HG1 VAL 5 -2.842 0.640 -5.965
37 3HG1 VAL 5 2HG1 VAL 5 -2.648 2.378 -6.001
38 1HG2 VAL 5 2HG2 VAL 5 -5.100 0.477 -8.004
39 2HG2 VAL 5 1HG2 VAL 5 -4.099 0.260 -9.428
40 3HG2 VAL 5 3HG2 VAL 5 -3.699 -0.586 -7.940
41 H LYS 6 H LYS 6 -4.293 5.156 -8.945
42 HA LYS 6 HA LYS 6 -1.964 6.649 -9.004
43 1HB LYS 6 2HB LYS 6 -4.712 7.393 -7.898
44 2HB LYS 6 1HB LYS 6 -3.490 8.585 -8.279
45 1HG LYS 6 2HG LYS 6 -3.452 8.064 -10.609
46 2HG LYS 6 1HG LYS 6 -4.277 6.549 -10.408
47 1HD LYS 6 2HD LYS 6 -5.522 9.306 -9.889
48 2HD LYS 6 1HD LYS 6 -5.726 8.423 -11.390
49 1HE LYS 6 2HE LYS 6 -6.653 7.561 -8.628
50 2HE LYS 6 1HE LYS 6 -7.669 8.146 -9.927
51 1HZ LYS 6 2HZ LYS 6 -6.086 6.058 -11.040
52 2HZ LYS 6 1HZ LYS 6 -6.684 5.497 -9.614
53 3HZ LYS 6 3HZ LYS 6 -7.752 6.008 -10.701
54 H LEU 7 H LEU 7 -0.933 8.094 -7.481
55 HA LEU 7 HA LEU 7 -0.564 6.763 -4.862
56 1HB LEU 7 2HB LEU 7 0.939 9.023 -6.275
57 2HB LEU 7 1HB LEU 7 1.504 8.194 -4.838
58 HG LEU 7 HG LEU 7 0.879 6.735 -7.479
59 1HD1 LEU 7 2HD1 LEU 7 3.586 7.557 -6.368
60 2HD1 LEU 7 1HD1 LEU 7 3.303 6.577 -7.784
61 3HD1 LEU 7 3HD1 LEU 7 2.820 8.246 -7.777
62 1HD2 LEU 7 1HD2 LEU 7 2.389 5.912 -4.967
63 2HD2 LEU 7 3HD2 LEU 7 0.786 5.357 -5.426
64 3HD2 LEU 7 2HD2 LEU 7 2.167 4.918 -6.396
65 H GLY 8 H GLY 8 -2.781 8.435 -5.633
66 1HA GLY 8 2HA GLY 8 -4.421 9.444 -4.259
67 2HA GLY 8 1HA GLY 8 -3.213 9.767 -3.055
68 H SER 9 H SER 9 -5.052 11.143 -3.284
69 HA SER 9 HA SER 9 -5.743 13.337 -2.980
70 1HB SER 9 2HB SER 9 -3.382 13.746 -2.592
71 2HB SER 9 1HB SER 9 -3.107 14.025 -4.307
72 HG SER 9 HG SER 9 -4.258 15.658 -2.416
73 H ASP 10 H ASP 10 -6.279 11.812 -5.415
74 HA ASP 10 HA ASP 10 -7.118 14.029 -7.249
75 1HB ASP 10 2HB ASP 10 -6.877 12.252 -8.972
76 2HB ASP 10 1HB ASP 10 -5.464 12.144 -7.915
77 H LYS 11 H LYS 11 -8.279 10.832 -6.312
78 HA LYS 11 HA LYS 11 -11.033 11.919 -5.858
79 1HB LYS 11 2HB LYS 11 -10.442 10.182 -7.731
80 2HB LYS 11 1HB LYS 11 -10.321 9.009 -6.457
81 1HG LYS 11 2HG LYS 11 -12.811 10.503 -7.438
82 2HG LYS 11 1HG LYS 11 -12.596 8.768 -7.249
83 1HD LYS 11 2HD LYS 11 -12.303 9.149 -4.755
84 2HD LYS 11 1HD LYS 11 -12.716 10.847 -5.063
85 1HE LYS 11 2HE LYS 11 -14.951 10.264 -5.678
86 2HE LYS 11 1HE LYS 11 -14.604 8.565 -5.277
87 1HZ LYS 11 3HZ LYS 11 -13.414 10.218 -3.322
88 2HZ LYS 11 2HZ LYS 11 -15.017 10.740 -3.433
89 3HZ LYS 11 1HZ LYS 11 -14.668 9.117 -3.044
90 H GLY 12 H GLY 12 -8.441 9.997 -4.592
91 1HA GLY 12 2HA GLY 12 -9.733 9.638 -1.888
92 2HA GLY 12 1HA GLY 12 -8.644 8.477 -2.596
93 H LEU 13 H LEU 13 -8.676 11.808 -1.517
94 HA LEU 13 HA LEU 13 -6.539 13.090 -1.041
95 1HB LEU 13 2HB LEU 13 -8.450 12.509 0.706
96 2HB LEU 13 1HB LEU 13 -7.224 11.580 1.511
97 HG LEU 13 HG LEU 13 -7.235 14.580 0.932
98 1HD1 LEU 13 2HD1 LEU 13 -7.215 12.917 3.487
99 2HD1 LEU 13 1HD1 LEU 13 -7.229 14.668 3.413
100 3HD1 LEU 13 3HD1 LEU 13 -8.608 13.760 2.831
101 1HD2 LEU 13 3HD2 LEU 13 -5.062 12.923 2.285
102 2HD2 LEU 13 2HD2 LEU 13 -4.899 13.715 0.718
103 3HD2 LEU 13 1HD2 LEU 13 -5.106 14.669 2.167
104 H LEU 14 H LEU 14 -5.542 10.708 1.369
105 HA LEU 14 HA LEU 14 -3.107 10.169 -0.331
106 1HB LEU 14 2HB LEU 14 -3.429 10.469 2.664
107 2HB LEU 14 1HB LEU 14 -1.966 9.858 1.934
108 HG LEU 14 HG LEU 14 -3.250 12.474 1.131
109 1HD1 LEU 14 1HD1 LEU 14 -2.399 12.525 3.502
110 2HD1 LEU 14 3HD1 LEU 14 -0.846 11.923 2.946
111 3HD1 LEU 14 2HD1 LEU 14 -1.394 13.516 2.459
112 1HD2 LEU 14 2HD2 LEU 14 -0.424 11.338 0.659
113 2HD2 LEU 14 1HD2 LEU 14 -1.641 11.484 -0.590
114 3HD2 LEU 14 3HD2 LEU 14 -0.967 12.914 0.131
115 H VAL 15 H VAL 15 -5.509 8.605 -0.389
116 HA VAL 15 HA VAL 15 -4.623 5.926 0.670
117 HB VAL 15 HB VAL 15 -6.967 5.296 0.714
118 1HG1 VAL 15 2HG1 VAL 15 -5.984 6.597 2.656
119 2HG1 VAL 15 1HG1 VAL 15 -6.484 8.089 1.888
120 3HG1 VAL 15 3HG1 VAL 15 -7.694 6.955 2.449
121 1HG2 VAL 15 3HG2 VAL 15 -7.729 6.770 -1.258
122 2HG2 VAL 15 2HG2 VAL 15 -8.747 6.890 0.163
123 3HG2 VAL 15 1HG2 VAL 15 -7.587 8.143 -0.174
124 H PHE 16 H PHE 16 -3.725 7.134 -1.737
125 HA PHE 16 HA PHE 16 -3.277 6.600 -4.023
126 1HB PHE 16 2HB PHE 16 -4.397 3.925 -3.065
127 2HB PHE 16 1HB PHE 16 -3.562 4.159 -4.598
128 HD1 PHE 16 HD1 PHE 16 -3.149 4.357 -0.907
129 HD2 PHE 16 HD2 PHE 16 -1.205 4.344 -4.687
130 HE1 PHE 16 HE1 PHE 16 -0.991 4.142 0.213
131 HE2 PHE 16 HE2 PHE 16 0.968 4.128 -3.565
132 HZ PHE 16 HZ PHE 16 1.074 4.032 -1.091
133 H GLU 17 H GLU 17 -5.601 4.596 -4.395
134 HA GLU 17 HA GLU 17 -7.353 6.540 -5.936
135 1HB GLU 17 2HB GLU 17 -6.006 4.812 -7.167
136 2HB GLU 17 1HB GLU 17 -7.018 3.567 -6.504
137 1HG GLU 17 2HG GLU 17 -9.056 4.990 -7.507
138 2HG GLU 17 1HG GLU 17 -7.878 5.942 -8.261
139 HA PRO 18 HA PRO 18 -9.148 3.824 -2.610
140 1HB PRO 18 2HB PRO 18 -10.758 1.779 -2.992
141 2HB PRO 18 1HB PRO 18 -11.288 3.403 -3.491
142 1HG PRO 18 2HG PRO 18 -10.158 1.152 -5.237
143 2HG PRO 18 1HG PRO 18 -11.496 2.239 -5.603
144 1HD PRO 18 2HD PRO 18 -8.737 2.603 -6.370
145 2HD PRO 18 1HD PRO 18 -10.086 3.755 -6.534
146 H ALA 19 H ALA 19 -6.894 3.334 -2.338
147 HA ALA 19 HA ALA 19 -4.927 1.938 -2.721
148 1HB ALA 19 3HB ALA 19 -6.449 1.731 -0.110
149 2HB ALA 19 2HB ALA 19 -4.746 1.336 -0.253
150 3HB ALA 19 1HB ALA 19 -5.300 2.964 -0.587
151 H LYS 20 H LYS 20 -7.538 -0.282 -2.427
152 HA LYS 20 HA LYS 20 -5.508 -2.533 -2.494
153 1HB LYS 20 2HB LYS 20 -7.119 -4.036 -1.564
154 2HB LYS 20 1HB LYS 20 -7.115 -2.567 -0.647
155 1HG LYS 20 2HG LYS 20 -9.267 -2.080 -1.018
156 2HG LYS 20 1HG LYS 20 -9.161 -2.280 -2.731
157 1HD LYS 20 2HD LYS 20 -9.114 -4.833 -1.035
158 2HD LYS 20 1HD LYS 20 -10.611 -3.946 -1.061
159 1HE LYS 20 2HE LYS 20 -10.664 -5.693 -2.778
160 2HE LYS 20 1HE LYS 20 -10.715 -4.101 -3.528
161 1HZ LYS 20 1HZ LYS 20 -8.014 -4.822 -3.173
162 2HZ LYS 20 3HZ LYS 20 -8.733 -6.109 -4.027
163 3HZ LYS 20 2HZ LYS 20 -8.819 -4.504 -4.576
164 H LEU 21 H LEU 21 -5.005 -3.399 -4.311
165 HA LEU 21 HA LEU 21 -7.059 -3.770 -6.463
166 1HB LEU 21 2HB LEU 21 -4.920 -2.367 -6.824
167 2HB LEU 21 1HB LEU 21 -4.079 -3.881 -6.774
168 HG LEU 21 HG LEU 21 -4.540 -3.302 -9.179
169 1HD1 LEU 21 1HD1 LEU 21 -4.826 -5.764 -8.474
170 2HD1 LEU 21 3HD1 LEU 21 -6.551 -5.514 -8.518
171 3HD1 LEU 21 2HD1 LEU 21 -5.639 -5.328 -9.955
172 1HD2 LEU 21 3HD2 LEU 21 -7.485 -3.383 -8.363
173 2HD2 LEU 21 2HD2 LEU 21 -6.586 -1.937 -8.789
174 3HD2 LEU 21 1HD2 LEU 21 -6.889 -3.194 -9.969
175 H THR 22 H THR 22 -7.794 -5.827 -6.722
176 HA THR 22 HA THR 22 -6.037 -8.118 -5.844
177 HB THR 22 HB THR 22 -9.001 -8.182 -6.720
178 HG1 THR 22 HG1 THR 22 -8.310 -8.488 -4.112
179 1HG2 THR 22 2HG2 THR 22 -7.316 -9.987 -4.866
180 2HG2 THR 22 1HG2 THR 22 -8.990 -10.237 -5.339
181 3HG2 THR 22 3HG2 THR 22 -7.709 -10.385 -6.520
182 H ILE 23 H ILE 23 -4.617 -7.571 -7.668
183 HA ILE 23 HA ILE 23 -5.516 -7.783 -10.397
184 HB ILE 23 HB ILE 23 -3.071 -8.237 -11.010
185 1HG1 ILE 23 2HG1 ILE 23 -2.180 -7.716 -8.271
186 2HG1 ILE 23 1HG1 ILE 23 -2.577 -9.320 -8.810
187 1HG2 ILE 23 3HG2 ILE 23 -3.835 -5.956 -11.126
188 2HG2 ILE 23 2HG2 ILE 23 -3.252 -5.672 -9.487
189 3HG2 ILE 23 1HG2 ILE 23 -2.154 -6.118 -10.751
190 1HD1 ILE 23 3HD1 ILE 23 -0.645 -7.496 -10.365
191 2HD1 ILE 23 2HD1 ILE 23 -0.102 -8.793 -9.353
192 3HD1 ILE 23 1HD1 ILE 23 -1.052 -9.143 -10.768
193 H LYS 24 H LYS 24 -4.468 -9.378 -11.921
194 HA LYS 24 HA LYS 24 -5.227 -11.971 -10.835
195 1HB LYS 24 2HB LYS 24 -5.097 -10.778 -13.612
196 2HB LYS 24 1HB LYS 24 -4.990 -12.512 -13.520
197 1HG LYS 24 2HG LYS 24 -7.334 -12.079 -13.767
198 2HG LYS 24 1HG LYS 24 -7.112 -12.535 -12.103
199 1HD LYS 24 2HD LYS 24 -8.406 -10.677 -11.677
200 2HD LYS 24 1HD LYS 24 -6.897 -9.826 -11.769
201 1HE LYS 24 2HE LYS 24 -8.658 -10.211 -14.202
202 2HE LYS 24 1HE LYS 24 -8.829 -8.852 -13.108
203 1HZ LYS 24 2HZ LYS 24 -6.058 -9.017 -13.769
204 2HZ LYS 24 1HZ LYS 24 -6.940 -9.092 -15.198
205 3HZ LYS 24 3HZ LYS 24 -7.199 -7.876 -14.145
206 HA PRO 25 HA PRO 25 -1.406 -14.332 -10.583
207 1HB PRO 25 2HB PRO 25 -1.642 -15.721 -13.129
208 2HB PRO 25 1HB PRO 25 -1.864 -16.335 -11.502
209 1HG PRO 25 2HG PRO 25 -3.933 -15.150 -13.401
210 2HG PRO 25 1HG PRO 25 -4.155 -16.417 -12.189
211 1HD PRO 25 2HD PRO 25 -5.122 -14.015 -11.616
212 2HD PRO 25 1HD PRO 25 -4.145 -14.814 -10.371
213 H GLY 26 H GLY 26 -0.388 -11.886 -11.127
214 1HA GLY 26 2HA GLY 26 2.040 -11.645 -11.816
215 2HA GLY 26 1HA GLY 26 1.646 -12.415 -13.330
216 H ASP 27 H ASP 27 -0.876 -10.800 -13.023
217 HA ASP 27 HA ASP 27 -0.700 -8.936 -14.985
218 1HB ASP 27 2HB ASP 27 -2.654 -9.982 -13.967
219 2HB ASP 27 1HB ASP 27 -2.354 -9.219 -12.443
220 H THR 28 H THR 28 -1.135 -6.641 -14.812
221 HA THR 28 HA THR 28 1.015 -5.103 -13.520
222 HB THR 28 HB THR 28 -0.620 -4.185 -15.816
223 HG1 THR 28 HG1 THR 28 1.426 -6.094 -15.630
224 1HG2 THR 28 2HG2 THR 28 2.337 -3.941 -15.010
225 2HG2 THR 28 1HG2 THR 28 1.567 -3.079 -16.317
226 3HG2 THR 28 3HG2 THR 28 1.202 -2.650 -14.652
227 H VAL 29 H VAL 29 0.817 -3.417 -12.508
228 HA VAL 29 HA VAL 29 -1.720 -2.264 -11.514
229 HB VAL 29 HB VAL 29 -0.711 -3.639 -10.000
230 1HG1 VAL 29 1HG1 VAL 29 1.676 -3.202 -10.418
231 2HG1 VAL 29 3HG1 VAL 29 1.495 -1.549 -9.865
232 3HG1 VAL 29 2HG1 VAL 29 1.270 -2.875 -8.746
233 1HG2 VAL 29 1HG2 VAL 29 -2.179 -1.721 -9.281
234 2HG2 VAL 29 3HG2 VAL 29 -0.910 -1.995 -8.105
235 3HG2 VAL 29 2HG2 VAL 29 -0.783 -0.661 -9.229
236 H GLU 30 H GLU 30 -1.673 0.364 -11.584
237 HA GLU 30 HA GLU 30 0.908 1.489 -12.401
238 1HB GLU 30 2HB GLU 30 -0.796 2.010 -14.035
239 2HB GLU 30 1HB GLU 30 -1.916 2.432 -12.780
240 1HG GLU 30 2HG GLU 30 -0.225 4.414 -12.145
241 2HG GLU 30 1HG GLU 30 0.587 4.020 -13.643
242 H PHE 31 H PHE 31 1.900 2.999 -11.381
243 HA PHE 31 HA PHE 31 0.872 4.032 -8.751
244 1HB PHE 31 2HB PHE 31 3.733 3.642 -9.713
245 2HB PHE 31 1HB PHE 31 3.269 4.160 -8.116
246 HD1 PHE 31 HD2 PHE 31 0.833 2.155 -7.878
247 HD2 PHE 31 HD1 PHE 31 4.906 1.710 -9.029
248 HE1 PHE 31 HE2 PHE 31 0.778 -0.178 -7.165
249 HE2 PHE 31 HE1 PHE 31 4.853 -0.640 -8.310
250 HZ PHE 31 HZ PHE 31 2.791 -1.590 -7.376
251 H LEU 32 H LEU 32 -0.227 5.624 -10.302
252 HA LEU 32 HA LEU 32 1.392 7.619 -11.627
253 1HB LEU 32 2HB LEU 32 -1.115 6.765 -11.996
254 2HB LEU 32 1HB LEU 32 -1.472 8.109 -10.944
255 HG LEU 32 HG LEU 32 0.002 8.262 -13.606
256 1HD1 LEU 32 3HD1 LEU 32 -2.741 9.191 -12.689
257 2HD1 LEU 32 2HD1 LEU 32 -2.051 9.450 -14.285
258 3HD1 LEU 32 1HD1 LEU 32 -2.389 7.822 -13.738
259 1HD2 LEU 32 3HD2 LEU 32 -0.855 10.509 -11.703
260 2HD2 LEU 32 2HD2 LEU 32 0.816 10.056 -12.029
261 3HD2 LEU 32 1HD2 LEU 32 -0.174 10.718 -13.310
262 H ASN 33 H ASN 33 2.424 9.162 -10.690
263 HA ASN 33 HA ASN 33 1.957 10.053 -7.919
264 1HB ASN 33 2HB ASN 33 4.227 9.881 -9.082
265 2HB ASN 33 1HB ASN 33 3.784 11.333 -9.977
266 1HD2 ASN 33 2HD2 ASN 33 4.527 13.406 -7.304
267 2HD2 ASN 33 1HD2 ASN 33 3.986 13.307 -8.925
268 H ASN 34 H ASN 34 -0.371 10.726 -8.577
269 HA ASN 34 HA ASN 34 -1.043 13.135 -9.850
270 1HB ASN 34 2HB ASN 34 -2.195 11.761 -7.366
271 2HB ASN 34 1HB ASN 34 -3.047 13.064 -8.176
272 1HD2 ASN 34 2HD2 ASN 34 -4.339 10.717 -10.391
273 2HD2 ASN 34 1HD2 ASN 34 -4.634 12.134 -9.500
274 H LYS 35 H LYS 35 -0.972 13.333 -6.269
275 HA LYS 35 HA LYS 35 0.621 15.857 -6.500
276 1HB LYS 35 2HB LYS 35 -2.104 15.511 -5.227
277 2HB LYS 35 1HB LYS 35 -1.088 16.847 -4.768
278 1HG LYS 35 2HG LYS 35 -0.982 17.690 -7.093
279 2HG LYS 35 1HG LYS 35 -1.877 16.317 -7.686
280 1HD LYS 35 2HD LYS 35 -2.974 18.235 -5.560
281 2HD LYS 35 1HD LYS 35 -3.277 18.460 -7.273
282 1HE LYS 35 2HE LYS 35 -4.700 16.657 -7.417
283 2HE LYS 35 1HE LYS 35 -3.864 15.708 -6.208
284 1HZ LYS 35 1HZ LYS 35 -4.967 18.103 -5.005
285 2HZ LYS 35 3HZ LYS 35 -6.167 17.139 -5.764
286 3HZ LYS 35 2HZ LYS 35 -5.127 16.453 -4.662
287 H VAL 36 H VAL 36 0.892 16.801 -4.142
288 HA VAL 36 HA VAL 36 2.410 16.580 -2.293
289 HB VAL 36 HB VAL 36 0.284 14.520 -1.613
290 1HG1 VAL 36 1HG1 VAL 36 1.999 16.323 0.183
291 2HG1 VAL 36 3HG1 VAL 36 0.725 15.255 0.737
292 3HG1 VAL 36 2HG1 VAL 36 2.176 14.589 0.031
293 1HG2 VAL 36 3HG2 VAL 36 0.335 17.562 -1.176
294 2HG2 VAL 36 2HG2 VAL 36 -0.719 16.724 -2.310
295 3HG2 VAL 36 1HG2 VAL 36 -0.908 16.475 -0.586
296 HA PRO 37 HA PRO 37 4.828 12.783 -3.445
297 1HB PRO 37 2HB PRO 37 7.052 14.097 -4.347
298 2HB PRO 37 1HB PRO 37 5.629 13.818 -5.366
299 1HG PRO 37 2HG PRO 37 6.216 16.290 -3.620
300 2HG PRO 37 1HG PRO 37 6.000 16.275 -5.378
301 1HD PRO 37 2HD PRO 37 3.887 16.785 -3.811
302 2HD PRO 37 1HD PRO 37 3.657 15.657 -5.172
303 HA PRO 38 HA PRO 38 7.084 12.138 -3.729
304 1HB PRO 38 2HB PRO 38 9.368 11.037 -3.002
305 2HB PRO 38 1HB PRO 38 9.286 12.798 -3.153
306 1HG PRO 38 2HG PRO 38 9.024 11.125 -0.588
307 2HG PRO 38 1HG PRO 38 10.039 12.544 -0.846
308 1HD PRO 38 2HD PRO 38 7.414 12.607 0.269
309 2HD PRO 38 1HD PRO 38 8.219 14.021 -0.434
310 H HIS 39 HN HIP 39 6.016 10.306 -4.224
311 HA HIS 39 HA HIP 39 5.351 8.491 -1.957
312 1HB HIS 39 2HB HIP 39 4.178 8.598 -4.752
313 2HB HIS 39 1HB HIP 39 3.578 7.539 -3.505
314 HD2 HIS 39 HD2 HIP 39 3.098 10.955 -4.980
315 HE1 HIS 39 HE1 HIP 39 0.951 11.057 -1.455
316 HE2 HIS 39 HE2 HIP 39 1.433 12.151 -3.577
317 H ASN 40 H ASN 40 7.640 7.690 -2.077
318 HA ASN 40 HA ASN 40 8.177 5.595 -4.060
319 1HB ASN 40 2HB ASN 40 9.592 6.647 -1.559
320 2HB ASN 40 1HB ASN 40 10.230 5.300 -2.483
321 1HD2 ASN 40 2HD2 ASN 40 11.908 7.503 -4.471
322 2HD2 ASN 40 1HD2 ASN 40 11.935 6.115 -3.513
323 H VAL 41 H VAL 41 5.982 4.568 -3.358
324 HA VAL 41 HA VAL 41 5.826 3.260 -0.838
325 HB VAL 41 HB VAL 41 4.452 1.466 -1.902
326 1HG1 VAL 41 3HG1 VAL 41 3.663 4.361 -2.477
327 2HG1 VAL 41 2HG1 VAL 41 2.538 3.004 -2.482
328 3HG1 VAL 41 1HG1 VAL 41 3.370 3.430 -1.004
329 1HG2 VAL 41 2HG2 VAL 41 4.841 3.135 -4.451
330 2HG2 VAL 41 1HG2 VAL 41 5.340 1.473 -4.179
331 3HG2 VAL 41 3HG2 VAL 41 3.643 1.865 -4.269
332 H VAL 42 H VAL 42 6.663 1.766 0.094
333 HA VAL 42 HA VAL 42 8.652 0.051 -1.231
334 HB VAL 42 HB VAL 42 8.014 0.620 1.700
335 1HG1 VAL 42 2HG1 VAL 42 9.300 -1.522 1.390
336 2HG1 VAL 42 1HG1 VAL 42 10.527 -0.633 0.481
337 3HG1 VAL 42 3HG1 VAL 42 10.255 -0.282 2.170
338 1HG2 VAL 42 1HG2 VAL 42 10.198 1.823 -0.076
339 2HG2 VAL 42 3HG2 VAL 42 8.789 2.655 0.543
340 3HG2 VAL 42 2HG2 VAL 42 10.019 2.104 1.648
341 H PHE 43 H PHE 43 8.468 -2.269 -0.811
342 HA PHE 43 HA PHE 43 5.645 -3.171 -0.509
343 1HB PHE 43 2HB PHE 43 7.921 -4.042 -2.209
344 2HB PHE 43 1HB PHE 43 6.864 -5.318 -1.622
345 HD1 PHE 43 HD1 PHE 43 6.499 -1.796 -2.933
346 HD2 PHE 43 HD2 PHE 43 5.044 -5.789 -2.962
347 HE1 PHE 43 HE1 PHE 43 4.795 -1.153 -4.569
348 HE2 PHE 43 HE2 PHE 43 3.329 -5.150 -4.593
349 HZ PHE 43 HZ PHE 43 3.199 -2.826 -5.396
350 H ASP 44 H ASP 44 5.283 -5.247 0.528
351 HA ASP 44 HA ASP 44 6.913 -5.441 2.974
352 1HB ASP 44 2HB ASP 44 4.804 -6.214 3.954
353 2HB ASP 44 1HB ASP 44 4.506 -4.811 2.952
354 H ALA 45 H ALA 45 7.145 -7.060 4.122
355 HA ALA 45 HA ALA 45 7.823 -9.680 2.943
356 1HB ALA 45 1HB ALA 45 9.753 -8.362 3.607
357 2HB ALA 45 3HB ALA 45 9.158 -8.183 5.250
358 3HB ALA 45 2HB ALA 45 9.635 -9.761 4.643
359 H ALA 46 H ALA 46 7.196 -8.277 6.093
360 HA ALA 46 HA ALA 46 6.295 -10.500 7.548
361 1HB ALA 46 2HB ALA 46 5.567 -7.519 7.824
362 2HB ALA 46 1HB ALA 46 5.369 -8.704 9.100
363 3HB ALA 46 3HB ALA 46 6.973 -8.291 8.541
364 H LEU 47 H LEU 47 4.349 -8.360 5.606
365 HA LEU 47 HA LEU 47 1.966 -10.117 6.081
366 1HB LEU 47 2HB LEU 47 2.127 -7.240 5.109
367 2HB LEU 47 1HB LEU 47 0.651 -8.107 5.429
368 HG LEU 47 HG LEU 47 2.791 -7.496 7.543
369 1HD1 LEU 47 2HD1 LEU 47 0.048 -6.276 7.030
370 2HD1 LEU 47 1HD1 LEU 47 1.115 -5.865 8.362
371 3HD1 LEU 47 3HD1 LEU 47 1.583 -5.486 6.712
372 1HD2 LEU 47 1HD2 LEU 47 -0.061 -8.578 7.773
373 2HD2 LEU 47 3HD2 LEU 47 1.386 -9.539 8.029
374 3HD2 LEU 47 2HD2 LEU 47 1.006 -8.226 9.119
375 H ASN 48 H ASN 48 4.077 -10.545 4.150
376 HA ASN 48 HA ASN 48 2.481 -10.566 1.634
377 1HB ASN 48 2HB ASN 48 4.415 -9.491 0.967
378 2HB ASN 48 1HB ASN 48 5.310 -10.047 2.335
379 1HD2 ASN 48 2HD2 ASN 48 7.277 -11.418 -0.200
380 2HD2 ASN 48 1HD2 ASN 48 6.907 -9.962 0.621
381 HA PRO 49 HA PRO 49 1.485 -14.754 1.690
382 1HB PRO 49 2HB PRO 49 2.174 -15.547 -0.907
383 2HB PRO 49 1HB PRO 49 0.685 -14.696 -0.483
384 1HG PRO 49 2HG PRO 49 3.389 -13.527 -1.370
385 2HG PRO 49 1HG PRO 49 1.806 -13.153 -2.047
386 1HD PRO 49 2HD PRO 49 2.738 -11.452 -0.283
387 2HD PRO 49 1HD PRO 49 1.099 -12.064 0.028
388 H ALA 50 H ALA 50 4.603 -14.431 0.188
389 HA ALA 50 HA ALA 50 5.488 -16.990 1.492
390 1HB ALA 50 1HB ALA 50 5.419 -17.008 -0.957
391 2HB ALA 50 3HB ALA 50 6.452 -15.590 -1.025
392 3HB ALA 50 2HB ALA 50 7.093 -17.107 -0.415
393 H LYS 51 H LYS 51 5.540 -14.525 2.882
394 HA LYS 51 HA LYS 51 7.147 -12.850 3.744
395 1HB LYS 51 2HB LYS 51 7.773 -15.534 5.053
396 2HB LYS 51 1HB LYS 51 7.873 -13.974 5.829
397 1HG LYS 51 2HG LYS 51 5.327 -15.398 4.879
398 2HG LYS 51 1HG LYS 51 5.796 -15.117 6.545
399 1HD LYS 51 2HD LYS 51 5.654 -12.624 6.163
400 2HD LYS 51 1HD LYS 51 5.303 -12.892 4.488
401 1HE LYS 51 2HE LYS 51 3.230 -12.385 5.377
402 2HE LYS 51 1HE LYS 51 3.220 -14.133 5.169
403 1HZ LYS 51 2HZ LYS 51 4.458 -13.597 7.613
404 2HZ LYS 51 1HZ LYS 51 3.119 -12.597 7.567
405 3HZ LYS 51 3HZ LYS 51 2.920 -14.302 7.426
406 H SER 52 H SER 52 8.395 -12.865 1.628
407 HA SER 52 HA SER 52 11.228 -13.697 2.094
408 1HB SER 52 2HB SER 52 11.394 -14.002 -0.270
409 2HB SER 52 1HB SER 52 9.785 -14.554 0.135
410 HG SER 52 HG SER 52 10.452 -12.678 -1.495
411 H ALA 53 H ALA 53 12.719 -12.305 0.586
412 HA ALA 53 HA ALA 53 12.366 -9.388 1.317
413 1HB ALA 53 1HB ALA 53 14.925 -11.092 1.176
414 2HB ALA 53 3HB ALA 53 14.879 -9.388 1.612
415 3HB ALA 53 2HB ALA 53 14.133 -10.587 2.658
416 H ASP 54 H ASP 54 14.052 -11.536 -0.744
417 HA ASP 54 HA ASP 54 15.066 -10.322 -2.872
418 1HB ASP 54 2HB ASP 54 13.982 -12.576 -3.998
419 2HB ASP 54 1HB ASP 54 15.132 -12.730 -2.681
420 H LEU 55 H LEU 55 11.798 -11.441 -3.397
421 HA LEU 55 HA LEU 55 11.267 -9.557 -5.522
422 1HB LEU 55 2HB LEU 55 10.089 -11.884 -4.903
423 2HB LEU 55 1HB LEU 55 9.008 -10.884 -3.962
424 HG LEU 55 HG LEU 55 9.546 -10.736 -6.975
425 1HD1 LEU 55 3HD1 LEU 55 7.009 -11.243 -5.387
426 2HD1 LEU 55 2HD1 LEU 55 7.148 -11.167 -7.141
427 3HD1 LEU 55 1HD1 LEU 55 7.962 -12.437 -6.269
428 1HD2 LEU 55 1HD2 LEU 55 7.802 -8.834 -5.329
429 2HD2 LEU 55 3HD2 LEU 55 9.280 -8.391 -6.171
430 3HD2 LEU 55 2HD2 LEU 55 7.896 -8.912 -7.083
431 H ALA 56 H ALA 56 10.080 -9.743 -2.153
432 HA ALA 56 HA ALA 56 8.533 -7.504 -1.829
433 1HB ALA 56 1HB ALA 56 9.280 -9.018 0.036
434 2HB ALA 56 3HB ALA 56 10.874 -8.305 -0.007
435 3HB ALA 56 2HB ALA 56 9.499 -7.344 0.491
436 H LYS 57 H LYS 57 12.095 -7.228 -1.802
437 HA LYS 57 HA LYS 57 11.852 -4.311 -2.018
438 1HB LYS 57 2HB LYS 57 13.885 -5.803 -1.008
439 2HB LYS 57 1HB LYS 57 14.518 -5.670 -2.629
440 1HG LYS 57 2HG LYS 57 13.490 -3.102 -1.331
441 2HG LYS 57 1HG LYS 57 14.903 -3.803 -0.629
442 1HD LYS 57 2HD LYS 57 15.712 -2.125 -2.129
443 2HD LYS 57 1HD LYS 57 16.118 -3.664 -2.815
444 1HE LYS 57 2HE LYS 57 15.471 -1.956 -4.502
445 2HE LYS 57 1HE LYS 57 14.477 -3.392 -4.591
446 1HZ LYS 57 2HZ LYS 57 13.165 -1.712 -2.780
447 2HZ LYS 57 1HZ LYS 57 13.511 -0.686 -4.057
448 3HZ LYS 57 3HZ LYS 57 12.718 -2.100 -4.310
449 H SER 58 H SER 58 12.743 -6.949 -4.242
450 HA SER 58 HA SER 58 13.441 -5.492 -6.556
451 1HB SER 58 2HB SER 58 13.306 -8.019 -6.492
452 2HB SER 58 1HB SER 58 11.542 -7.866 -6.546
453 HG SER 58 HG SER 58 12.286 -6.248 -8.441
454 H LEU 59 H LEU 59 10.337 -5.978 -5.185
455 HA LEU 59 HA LEU 59 8.852 -4.540 -7.274
456 1HB LEU 59 2HB LEU 59 8.122 -6.575 -5.667
457 2HB LEU 59 1HB LEU 59 7.622 -5.284 -4.610
458 HG LEU 59 HG LEU 59 5.676 -5.774 -5.886
459 1HD1 LEU 59 3HD1 LEU 59 6.184 -3.323 -5.936
460 2HD1 LEU 59 2HD1 LEU 59 6.994 -3.523 -7.465
461 3HD1 LEU 59 1HD1 LEU 59 5.282 -3.846 -7.347
462 1HD2 LEU 59 2HD2 LEU 59 7.450 -5.810 -8.365
463 2HD2 LEU 59 1HD2 LEU 59 6.756 -7.216 -7.578
464 3HD2 LEU 59 3HD2 LEU 59 5.714 -6.050 -8.361
465 H SER 60 H SER 60 9.530 -4.007 -3.709
466 HA SER 60 HA SER 60 8.437 -1.420 -3.470
467 1HB SER 60 2HB SER 60 10.138 -1.129 -1.540
468 2HB SER 60 1HB SER 60 9.779 -2.877 -1.606
469 HG SER 60 HG SER 60 11.364 -2.744 -3.397
470 H HIS 61 H HIS 61 8.954 0.639 -3.983
471 HA HIS 61 HA HIS 61 10.465 1.102 -6.304
472 1HB HIS 61 2HB HIS 61 9.491 2.925 -4.070
473 2HB HIS 61 1HB HIS 61 10.284 3.599 -5.488
474 HD1 HIS 61 HD1 HIS 61 7.358 1.483 -4.661
475 HD2 HIS 61 HD2 HIS 61 8.714 3.768 -7.712
476 HE1 HIS 61 HE1 HIS 61 5.504 1.574 -6.369
477 H LYS 62 H LYS 62 11.970 2.900 -6.484
478 HA LYS 62 HA LYS 62 14.346 2.970 -4.746
479 1HB LYS 62 2HB LYS 62 14.421 1.096 -6.801
480 2HB LYS 62 1HB LYS 62 14.888 2.516 -7.699
481 1HG LYS 62 2HG LYS 62 16.399 1.339 -5.307
482 2HG LYS 62 1HG LYS 62 16.980 1.473 -6.960
483 1HD LYS 62 2HD LYS 62 16.703 4.022 -6.755
484 2HD LYS 62 1HD LYS 62 16.326 3.766 -5.056
485 1HE LYS 62 2HE LYS 62 18.552 2.844 -4.661
486 2HE LYS 62 1HE LYS 62 18.984 3.252 -6.332
487 1HZ LYS 62 1HZ LYS 62 17.519 5.402 -5.220
488 2HZ LYS 62 3HZ LYS 62 18.745 5.041 -4.116
489 3HZ LYS 62 2HZ LYS 62 19.138 5.451 -5.716
490 H GLN 63 H GLN 63 12.819 3.863 -7.643
491 HA GLN 63 HA GLN 63 14.215 6.376 -7.953
492 1HB GLN 63 2HB GLN 63 12.934 6.595 -10.039
493 2HB GLN 63 1HB GLN 63 13.274 4.893 -9.884
494 1HG GLN 63 2HG GLN 63 10.576 6.067 -8.923
495 2HG GLN 63 1HG GLN 63 10.812 5.515 -10.557
496 1HE2 GLN 63 2HE2 GLN 63 9.687 2.394 -9.478
497 2HE2 GLN 63 1HE2 GLN 63 9.454 3.625 -10.618
498 H LEU 64 H LEU 64 12.688 8.498 -8.085
499 HA LEU 64 HA LEU 64 10.885 8.372 -5.718
500 1HB LEU 64 2HB LEU 64 12.257 10.759 -6.989
501 2HB LEU 64 1HB LEU 64 11.256 10.825 -5.560
502 HG LEU 64 HG LEU 64 12.945 9.099 -4.556
503 1HD1 LEU 64 3HD1 LEU 64 14.633 10.335 -6.768
504 2HD1 LEU 64 2HD1 LEU 64 15.239 9.378 -5.434
505 3HD1 LEU 64 1HD1 LEU 64 14.236 8.628 -6.648
506 1HD2 LEU 64 3HD2 LEU 64 13.736 11.987 -5.164
507 2HD2 LEU 64 2HD2 LEU 64 12.694 11.482 -3.849
508 3HD2 LEU 64 1HD2 LEU 64 14.384 11.022 -3.852
509 H LEU 65 H LEU 65 8.847 9.035 -5.609
510 HA LEU 65 HA LEU 65 7.468 9.607 -8.223
511 1HB LEU 65 2HB LEU 65 6.577 8.721 -5.455
512 2HB LEU 65 1HB LEU 65 5.404 9.219 -6.645
513 HG LEU 65 HG LEU 65 5.629 6.752 -6.533
514 1HD1 LEU 65 3HD1 LEU 65 5.023 7.828 -8.703
515 2HD1 LEU 65 2HD1 LEU 65 6.724 7.885 -9.141
516 3HD1 LEU 65 1HD1 LEU 65 5.926 6.345 -8.877
517 1HD2 LEU 65 3HD2 LEU 65 8.043 6.654 -5.935
518 2HD2 LEU 65 2HD2 LEU 65 7.630 5.661 -7.318
519 3HD2 LEU 65 1HD2 LEU 65 8.457 7.181 -7.561
520 H MET 66 H MET 66 8.147 11.613 -8.494
521 HA MET 66 HA MET 66 7.339 13.746 -6.549
522 1HB MET 66 2HB MET 66 9.535 13.845 -8.599
523 2HB MET 66 1HB MET 66 9.156 15.091 -7.433
524 1HG MET 66 2HG MET 66 9.597 13.489 -5.583
525 2HG MET 66 1HG MET 66 10.007 12.257 -6.744
526 1HE MET 66 1HE MET 66 11.592 12.429 -8.444
527 2HE MET 66 3HE MET 66 12.319 13.983 -8.842
528 3HE MET 66 2HE MET 66 13.253 12.739 -7.997
529 H SER 67 H SER 67 6.968 13.003 -9.942
530 HA SER 67 HA SER 67 5.676 15.672 -10.418
531 1HB SER 67 2HB SER 67 5.979 15.077 -12.872
532 2HB SER 67 1HB SER 67 7.449 15.332 -11.931
533 HG SER 67 HG SER 67 6.628 12.742 -11.656
534 HA PRO 68 HA PRO 68 1.278 14.495 -10.819
535 1HB PRO 68 2HB PRO 68 1.818 17.165 -11.969
536 2HB PRO 68 1HB PRO 68 0.704 16.694 -10.688
537 1HG PRO 68 2HG PRO 68 3.562 17.602 -10.434
538 2HG PRO 68 1HG PRO 68 2.291 17.630 -9.211
539 1HD PRO 68 2HD PRO 68 4.271 15.838 -8.937
540 2HD PRO 68 1HD PRO 68 2.602 15.285 -8.680
541 H GLY 69 H GLY 69 1.485 12.861 -12.217
542 1HA GLY 69 2HA GLY 69 0.528 12.593 -14.667
543 2HA GLY 69 1HA GLY 69 1.982 13.457 -15.145
544 H GLN 70 H GLN 70 3.637 12.200 -13.261
545 HA GLN 70 HA GLN 70 4.900 10.189 -14.637
546 1HB GLN 70 2HB GLN 70 5.733 11.545 -12.834
547 2HB GLN 70 1HB GLN 70 4.652 10.810 -11.684
548 1HG GLN 70 2HG GLN 70 5.896 8.655 -11.844
549 2HG GLN 70 1HG GLN 70 6.952 9.344 -13.070
550 1HE2 GLN 70 2HE2 GLN 70 8.899 9.649 -10.081
551 2HE2 GLN 70 1HE2 GLN 70 8.451 8.509 -11.260
552 H SER 71 H SER 71 3.191 8.846 -15.509
553 HA SER 71 HA SER 71 1.753 6.878 -13.888
554 1HB SER 71 2HB SER 71 1.027 6.062 -16.160
555 2HB SER 71 1HB SER 71 0.862 7.822 -16.032
556 HG SER 71 HG SER 71 2.902 6.283 -17.225
557 H THR 72 H THR 72 3.851 6.253 -12.905
558 HA THR 72 HA THR 72 5.486 4.292 -14.471
559 HB THR 72 HB THR 72 6.757 5.818 -13.078
560 HG1 THR 72 HG1 THR 72 6.544 3.320 -11.752
561 1HG2 THR 72 3HG2 THR 72 5.053 6.192 -11.195
562 2HG2 THR 72 2HG2 THR 72 5.395 4.568 -10.638
563 3HG2 THR 72 1HG2 THR 72 6.674 5.747 -10.682
564 H SER 73 H SER 73 3.978 2.679 -14.816
565 HA SER 73 HA SER 73 2.906 1.147 -12.499
566 1HB SER 73 2HB SER 73 1.691 -0.168 -14.249
567 2HB SER 73 1HB SER 73 1.492 1.568 -14.553
568 HG SER 73 HG SER 73 3.852 0.524 -15.609
569 H THR 74 H THR 74 2.928 -1.125 -12.405
570 HA THR 74 HA THR 74 5.356 -2.497 -13.497
571 HB THR 74 HB THR 74 4.824 -2.125 -10.499
572 HG1 THR 74 HG1 THR 74 6.189 -0.856 -12.416
573 1HG2 THR 74 1HG2 THR 74 7.167 -3.515 -11.907
574 2HG2 THR 74 3HG2 THR 74 6.914 -3.309 -10.193
575 3HG2 THR 74 2HG2 THR 74 5.918 -4.447 -11.076
576 H THR 75 H THR 75 5.378 -4.764 -13.354
577 HA THR 75 HA THR 75 2.655 -6.029 -12.962
578 HB THR 75 HB THR 75 4.030 -5.972 -15.326
579 HG1 THR 75 HG1 THR 75 2.427 -8.150 -14.402
580 1HG2 THR 75 3HG2 THR 75 5.668 -7.818 -14.455
581 2HG2 THR 75 2HG2 THR 75 4.248 -8.818 -14.186
582 3HG2 THR 75 1HG2 THR 75 4.639 -8.276 -15.801
583 H PHE 76 H PHE 76 2.784 -8.363 -12.327
584 HA PHE 76 HA PHE 76 4.994 -8.834 -10.326
585 1HB PHE 76 2HB PHE 76 2.058 -9.583 -10.389
586 2HB PHE 76 1HB PHE 76 3.176 -10.345 -9.251
587 HD1 PHE 76 HD1 PHE 76 2.054 -7.014 -10.522
588 HD2 PHE 76 HD2 PHE 76 3.891 -9.133 -7.331
589 HE1 PHE 76 HE1 PHE 76 2.098 -4.965 -9.198
590 HE2 PHE 76 HE2 PHE 76 3.925 -7.081 -5.984
591 HZ PHE 76 HZ PHE 76 3.031 -4.976 -6.928
592 HA PRO 77 HA PRO 77 5.655 -10.512 -14.383
593 1HB PRO 77 2HB PRO 77 8.016 -12.087 -13.631
594 2HB PRO 77 1HB PRO 77 7.952 -10.555 -14.492
595 1HG PRO 77 2HG PRO 77 8.185 -11.076 -11.495
596 2HG PRO 77 1HG PRO 77 8.942 -9.798 -12.431
597 1HD PRO 77 2HD PRO 77 6.872 -9.226 -10.903
598 2HD PRO 77 1HD PRO 77 6.821 -8.577 -12.562
599 H ALA 78 H ALA 78 6.776 -13.363 -12.732
600 HA ALA 78 HA ALA 78 4.387 -14.912 -13.643
601 1HB ALA 78 2HB ALA 78 7.230 -15.474 -14.598
602 2HB ALA 78 1HB ALA 78 5.834 -16.490 -14.962
603 3HB ALA 78 3HB ALA 78 5.911 -14.846 -15.587
604 H ASP 79 H ASP 79 6.864 -14.524 -11.646
605 HA ASP 79 HA ASP 79 7.068 -17.063 -10.255
606 1HB ASP 79 2HB ASP 79 8.801 -15.530 -8.998
607 2HB ASP 79 1HB ASP 79 9.060 -15.652 -10.731
608 H ALA 80 H ALA 80 6.123 -13.862 -9.318
609 HA ALA 80 HA ALA 80 5.240 -13.382 -7.014
610 1HB ALA 80 1HB ALA 80 3.231 -13.701 -9.247
611 2HB ALA 80 3HB ALA 80 2.960 -12.728 -7.805
612 3HB ALA 80 2HB ALA 80 4.253 -12.306 -8.937
613 HA PRO 81 HA PRO 81 3.891 -17.756 -5.818
614 1HB PRO 81 2HB PRO 81 5.188 -17.819 -3.382
615 2HB PRO 81 1HB PRO 81 6.056 -18.062 -4.909
616 1HG PRO 81 2HG PRO 81 5.539 -15.353 -3.508
617 2HG PRO 81 1HG PRO 81 7.143 -16.052 -3.792
618 1HD PRO 81 2HD PRO 81 6.231 -14.364 -5.574
619 2HD PRO 81 1HD PRO 81 6.763 -15.915 -6.262
620 H ALA 82 H ALA 82 1.936 -16.518 -5.898
621 HA ALA 82 HA ALA 82 -0.269 -16.343 -5.131
622 1HB ALA 82 2HB ALA 82 0.365 -17.820 -3.089
623 2HB ALA 82 1HB ALA 82 0.954 -16.393 -2.266
624 3HB ALA 82 3HB ALA 82 -0.750 -16.541 -2.648
625 H GLY 83 H GLY 83 -1.272 -14.029 -4.695
626 1HA GLY 83 2HA GLY 83 1.022 -12.062 -4.485
627 2HA GLY 83 1HA GLY 83 -0.451 -11.808 -5.277
628 H GLU 84 H GLU 84 -0.294 -12.609 -1.863
629 HA GLU 84 HA GLU 84 -1.845 -10.129 -1.434
630 1HB GLU 84 2HB GLU 84 -2.527 -12.131 -0.302
631 2HB GLU 84 1HB GLU 84 -0.931 -12.464 0.329
632 1HG GLU 84 2HG GLU 84 -2.461 -11.599 2.086
633 2HG GLU 84 1HG GLU 84 -1.143 -10.494 1.886
634 H TYR 85 H TYR 85 -0.216 -8.549 -2.116
635 HA TYR 85 HA TYR 85 1.977 -8.072 -0.083
636 1HB TYR 85 2HB TYR 85 1.881 -6.767 -2.817
637 2HB TYR 85 1HB TYR 85 3.249 -6.999 -1.748
638 HD1 TYR 85 HD1 TYR 85 3.700 -9.633 -1.185
639 HD2 TYR 85 HD2 TYR 85 1.796 -8.148 -4.675
640 HE1 TYR 85 HE1 TYR 85 4.264 -11.722 -2.427
641 HE2 TYR 85 HE2 TYR 85 2.361 -10.212 -5.868
642 HH TYR 85 HH TYR 85 2.902 -12.834 -4.702
643 H THR 86 H THR 86 1.870 -6.442 1.207
644 HA THR 86 HA THR 86 -0.022 -4.147 0.770
645 HB THR 86 HB THR 86 1.177 -5.160 3.396
646 HG1 THR 86 HG1 THR 86 -1.282 -5.286 3.512
647 1HG2 THR 86 1HG2 THR 86 -1.115 -3.193 2.689
648 2HG2 THR 86 3HG2 THR 86 -0.567 -3.568 4.325
649 3HG2 THR 86 2HG2 THR 86 0.450 -2.641 3.241
650 H PHE 87 H PHE 87 1.267 -2.869 -0.444
651 HA PHE 87 HA PHE 87 3.908 -2.076 0.379
652 1HB PHE 87 2HB PHE 87 3.243 -0.210 -1.542
653 2HB PHE 87 1HB PHE 87 3.974 -1.772 -1.833
654 HD1 PHE 87 HD1 PHE 87 2.412 -3.735 -2.167
655 HD2 PHE 87 HD2 PHE 87 1.150 0.295 -2.446
656 HE1 PHE 87 HE1 PHE 87 0.487 -4.466 -3.416
657 HE2 PHE 87 HE2 PHE 87 -0.812 -0.389 -3.719
658 HZ PHE 87 HZ PHE 87 -1.188 -2.782 -4.229
659 H TYR 88 H TYR 88 4.624 -0.299 1.366
660 HA TYR 88 HA TYR 88 2.645 1.698 2.302
661 1HB TYR 88 2HB TYR 88 4.295 1.863 4.250
662 2HB TYR 88 1HB TYR 88 3.158 0.536 4.106
663 HD1 TYR 88 HD1 TYR 88 6.762 1.436 3.761
664 HD2 TYR 88 HD2 TYR 88 3.880 -1.713 3.655
665 HE1 TYR 88 HE1 TYR 88 8.538 -0.229 3.845
666 HE2 TYR 88 HE2 TYR 88 5.692 -3.340 3.737
667 HH TYR 88 HH TYR 88 8.230 -3.242 3.004
668 H CYS 89 H CYS 89 3.022 3.959 2.250
669 HA CYS 89 HA CYS 89 5.504 4.898 0.858
670 1HB CYS 89 2HB CYS 89 3.271 5.260 -0.212
671 2HB CYS 89 1HB CYS 89 2.780 6.171 1.173
672 H GLU 90 H GLU 90 6.324 4.605 3.195
673 HA GLU 90 HA GLU 90 6.271 5.835 5.450
674 1HB GLU 90 2HB GLU 90 8.786 6.060 3.732
675 2HB GLU 90 1HB GLU 90 8.689 5.947 5.475
676 1HG GLU 90 2HG GLU 90 8.071 3.740 3.435
677 2HG GLU 90 1HG GLU 90 9.135 3.683 4.817
678 HA PRO 91 HA PRO 91 7.881 10.372 4.614
679 1HB PRO 91 2HB PRO 91 7.265 11.286 2.036
680 2HB PRO 91 1HB PRO 91 8.855 10.680 2.509
681 1HG PRO 91 2HG PRO 91 6.522 9.082 1.285
682 2HG PRO 91 1HG PRO 91 8.179 9.159 0.691
683 1HD PRO 91 2HD PRO 91 7.575 7.086 2.222
684 2HD PRO 91 1HD PRO 91 9.020 8.001 2.714
685 H HIS 92 HN HIP 92 5.130 8.940 3.385
686 HA HIS 92 HA HIP 92 3.318 11.107 4.355
687 1HB HIS 92 2HB HIP 92 2.759 8.975 2.258
688 2HB HIS 92 1HB HIP 92 1.759 10.362 2.715
689 HD2 HIS 92 HD2 HIP 92 4.281 12.601 2.636
690 HE1 HIS 92 HE1 HIP 92 4.154 11.588 -1.408
691 HE2 HIS 92 HE2 HIP 92 4.888 13.221 0.240
692 H ARG 93 H ARG 93 3.976 7.694 4.573
693 HA ARG 93 HA ARG 93 1.928 6.271 5.506
694 1HB ARG 93 2HB ARG 93 4.240 5.525 5.923
695 2HB ARG 93 1HB ARG 93 4.451 6.695 7.213
696 1HG ARG 93 2HG ARG 93 2.604 5.571 8.525
697 2HG ARG 93 1HG ARG 93 2.263 4.520 7.178
698 1HD ARG 93 2HD ARG 93 4.835 4.554 8.831
699 2HD ARG 93 1HD ARG 93 3.571 3.344 8.991
700 HE ARG 93 HE ARG 93 5.361 3.697 6.561
701 1HH1 ARG 93 2HH1 ARG 93 2.564 2.598 6.751
702 2HH1 ARG 93 1HH1 ARG 93 2.890 0.935 6.324
703 1HH2 ARG 93 1HH2 ARG 93 6.228 1.695 6.789
704 2HH2 ARG 93 2HH2 ARG 93 5.237 0.374 6.314
705 H GLY 94 H GLY 94 3.119 8.794 7.586
706 1HA GLY 94 2HA GLY 94 1.671 8.754 9.920
707 2HA GLY 94 1HA GLY 94 1.848 10.273 9.058
708 H ALA 95 H ALA 95 0.244 9.594 6.887
709 HA ALA 95 HA ALA 95 -2.493 9.692 8.142
710 1HB ALA 95 1HB ALA 95 -1.441 10.825 5.500
711 2HB ALA 95 3HB ALA 95 -3.081 11.028 6.094
712 3HB ALA 95 2HB ALA 95 -1.735 11.750 6.965
713 H GLY 96 H GLY 96 -1.301 7.249 7.674
714 1HA GLY 96 2HA GLY 96 -2.281 5.108 7.110
715 2HA GLY 96 1HA GLY 96 -3.350 5.904 5.973
716 H MET 97 H MET 97 -1.978 7.021 4.286
717 HA MET 97 HA MET 97 -1.299 6.194 2.091
718 1HB MET 97 2HB MET 97 0.447 7.621 3.926
719 2HB MET 97 1HB MET 97 1.454 6.688 2.845
720 1HG MET 97 2HG MET 97 -0.850 8.145 1.625
721 2HG MET 97 1HG MET 97 0.407 9.153 2.165
722 1HE MET 97 1HE MET 97 -1.138 6.980 -0.325
723 2HE MET 97 3HE MET 97 -0.866 8.568 -1.080
724 3HE MET 97 2HE MET 97 -0.112 7.119 -1.726
725 H VAL 98 H VAL 98 -1.811 3.893 3.002
726 HA VAL 98 HA VAL 98 0.438 2.048 2.250
727 HB VAL 98 HB VAL 98 -0.256 1.917 4.535
728 1HG1 VAL 98 1HG1 VAL 98 -2.949 1.001 3.439
729 2HG1 VAL 98 3HG1 VAL 98 -2.461 0.929 5.122
730 3HG1 VAL 98 2HG1 VAL 98 -2.649 2.479 4.334
731 1HG2 VAL 98 3HG2 VAL 98 0.615 -0.119 3.341
732 2HG2 VAL 98 2HG2 VAL 98 -0.577 -0.567 4.553
733 3HG2 VAL 98 1HG2 VAL 98 -1.020 -0.529 2.860
734 H GLY 99 H GLY 99 -0.045 0.412 0.738
735 1HA GLY 99 2HA GLY 99 -2.702 0.308 -0.661
736 2HA GLY 99 1HA GLY 99 -1.186 0.264 -1.533
737 H LYS 100 H LYS 100 -3.229 -1.631 -1.607
738 HA LYS 100 HA LYS 100 -1.758 -4.089 -0.754
739 1HB LYS 100 2HB LYS 100 -3.483 -3.716 0.916
740 2HB LYS 100 1HB LYS 100 -4.682 -3.401 -0.301
741 1HG LYS 100 2HG LYS 100 -5.320 -5.565 0.289
742 2HG LYS 100 1HG LYS 100 -4.254 -5.980 -1.010
743 1HD LYS 100 2HD LYS 100 -3.410 -5.959 1.939
744 2HD LYS 100 1HD LYS 100 -4.026 -7.347 1.095
745 1HE LYS 100 2HE LYS 100 -2.102 -7.249 -0.484
746 2HE LYS 100 1HE LYS 100 -1.521 -5.834 0.405
747 1HZ LYS 100 3HZ LYS 100 -2.128 -7.897 2.222
748 2HZ LYS 100 2HZ LYS 100 -1.122 -8.571 1.127
749 3HZ LYS 100 1HZ LYS 100 -0.616 -7.182 1.979
750 H ILE 101 H ILE 101 -1.130 -5.021 -2.619
751 HA ILE 101 HA ILE 101 -3.169 -5.366 -4.797
752 HB ILE 101 HB ILE 101 -0.516 -4.520 -5.324
753 1HG1 ILE 101 2HG1 ILE 101 -2.476 -6.212 -6.912
754 2HG1 ILE 101 1HG1 ILE 101 -2.103 -4.515 -7.080
755 1HG2 ILE 101 1HG2 ILE 101 0.400 -6.733 -4.464
756 2HG2 ILE 101 3HG2 ILE 101 -0.498 -7.549 -5.739
757 3HG2 ILE 101 2HG2 ILE 101 0.795 -6.447 -6.153
758 1HD1 ILE 101 3HD1 ILE 101 0.164 -5.083 -8.069
759 2HD1 ILE 101 2HD1 ILE 101 -0.207 -6.783 -7.947
760 3HD1 ILE 101 1HD1 ILE 101 -1.117 -5.789 -9.018
761 H THR 102 H THR 102 -4.008 -7.258 -4.773
762 HA THR 102 HA THR 102 -2.837 -9.568 -3.247
763 HB THR 102 HB THR 102 -5.772 -9.139 -3.821
764 HG1 THR 102 HG1 THR 102 -4.427 -8.825 -1.359
765 1HG2 THR 102 3HG2 THR 102 -4.232 -10.757 -1.714
766 2HG2 THR 102 2HG2 THR 102 -5.967 -10.695 -1.906
767 3HG2 THR 102 1HG2 THR 102 -4.978 -11.495 -3.121
768 H VAL 103 H VAL 103 -1.653 -10.500 -5.218
769 HA VAL 103 HA VAL 103 -3.239 -10.831 -7.652
770 HB VAL 103 HB VAL 103 -0.773 -12.538 -7.047
771 1HG1 VAL 103 2HG1 VAL 103 -1.915 -12.846 -9.126
772 2HG1 VAL 103 1HG1 VAL 103 -1.677 -11.147 -9.531
773 3HG1 VAL 103 3HG1 VAL 103 -0.288 -12.217 -9.332
774 1HG2 VAL 103 3HG2 VAL 103 -0.714 -9.577 -7.739
775 2HG2 VAL 103 2HG2 VAL 103 -0.087 -10.194 -6.271
776 3HG2 VAL 103 1HG2 VAL 103 0.692 -10.625 -7.773
777 H ALA 104 H ALA 104 -4.789 -12.129 -7.857
778 HA ALA 104 HA ALA 104 -5.183 -14.462 -6.034
779 1HB ALA 104 1HB ALA 104 -7.001 -12.776 -6.335
780 2HB ALA 104 3HB ALA 104 -7.020 -13.090 -8.065
781 3HB ALA 104 2HB ALA 104 -7.531 -14.340 -6.945
782 H GLY 105 HN GLY 105 -3.277 -15.239 -7.199
783 1HA GLY 105 2HA GLY 105 -3.899 -17.534 -8.850
784 2HA GLY 105 1HA GLY 105 -2.888 -16.334 -9.668
No H/Q in entry = 784
Start of MODEL 7
1 1H GLU 1 2H GLU 1 -3.841 -5.678 -14.138
2 2H GLU 1 1H GLU 1 -4.886 -6.316 -15.264
3 3H GLU 1 3H GLU 1 -3.503 -7.155 -14.897
4 HA GLU 1 HA GLU 1 -2.251 -6.068 -16.381
5 1HB GLU 1 2HB GLU 1 -4.996 -4.912 -17.210
6 2HB GLU 1 1HB GLU 1 -3.570 -4.876 -18.216
7 1HG GLU 1 2HG GLU 1 -5.114 -6.852 -18.740
8 2HG GLU 1 1HG GLU 1 -3.506 -7.380 -18.324
9 H THR 2 H THR 2 -1.898 -3.584 -17.414
10 HA THR 2 HA THR 2 -1.042 -1.953 -15.236
11 HB THR 2 HB THR 2 -1.463 -1.133 -18.157
12 HG1 THR 2 HG1 THR 2 0.931 -1.473 -16.845
13 1HG2 THR 2 3HG2 THR 2 0.314 0.068 -15.923
14 2HG2 THR 2 2HG2 THR 2 0.198 0.608 -17.586
15 3HG2 THR 2 1HG2 THR 2 -1.138 0.849 -16.491
16 H TYR 3 H TYR 3 -2.655 -1.668 -13.878
17 HA TYR 3 HA TYR 3 -4.932 0.168 -14.661
18 1HB TYR 3 2HB TYR 3 -4.465 -1.232 -11.971
19 2HB TYR 3 1HB TYR 3 -5.961 -0.515 -12.508
20 HD1 TYR 3 HD2 TYR 3 -5.774 -1.831 -15.434
21 HD2 TYR 3 HD1 TYR 3 -5.450 -3.305 -11.460
22 HE1 TYR 3 HE2 TYR 3 -6.528 -4.066 -16.172
23 HE2 TYR 3 HE1 TYR 3 -6.181 -5.522 -12.228
24 HH TYR 3 HH TYR 3 -7.060 -6.194 -15.538
25 H THR 4 H THR 4 -5.309 2.091 -13.127
26 HA THR 4 HA THR 4 -2.649 3.200 -12.280
27 HB THR 4 HB THR 4 -3.571 4.582 -14.033
28 HG1 THR 4 HG1 THR 4 -2.680 5.801 -12.616
29 1HG2 THR 4 2HG2 THR 4 -6.086 4.121 -13.571
30 2HG2 THR 4 1HG2 THR 4 -5.909 5.100 -12.121
31 3HG2 THR 4 3HG2 THR 4 -5.656 5.819 -13.699
32 H VAL 5 H VAL 5 -2.137 3.434 -10.297
33 HA VAL 5 HA VAL 5 -4.237 3.661 -8.181
34 HB VAL 5 HB VAL 5 -1.232 3.038 -8.029
35 1HG1 VAL 5 1HG1 VAL 5 -3.404 2.959 -5.858
36 2HG1 VAL 5 3HG1 VAL 5 -1.726 2.496 -5.632
37 3HG1 VAL 5 2HG1 VAL 5 -2.139 4.170 -5.949
38 1HG2 VAL 5 2HG2 VAL 5 -3.687 1.262 -7.597
39 2HG2 VAL 5 1HG2 VAL 5 -2.616 1.209 -8.987
40 3HG2 VAL 5 3HG2 VAL 5 -2.013 0.760 -7.405
41 H LYS 6 H LYS 6 -4.772 5.641 -8.285
42 HA LYS 6 HA LYS 6 -3.154 7.989 -8.696
43 1HB LYS 6 2HB LYS 6 -5.971 7.626 -7.558
44 2HB LYS 6 1HB LYS 6 -5.336 9.139 -8.157
45 1HG LYS 6 2HG LYS 6 -5.401 6.627 -9.943
46 2HG LYS 6 1HG LYS 6 -6.797 7.659 -9.822
47 1HD LYS 6 2HD LYS 6 -4.063 8.863 -10.401
48 2HD LYS 6 1HD LYS 6 -4.904 8.046 -11.699
49 1HE LYS 6 2HE LYS 6 -6.674 9.614 -11.687
50 2HE LYS 6 1HE LYS 6 -6.358 10.149 -10.059
51 1HZ LYS 6 2HZ LYS 6 -4.009 10.490 -11.651
52 2HZ LYS 6 1HZ LYS 6 -5.305 11.264 -12.442
53 3HZ LYS 6 3HZ LYS 6 -4.900 11.668 -10.847
54 H LEU 7 H LEU 7 -1.598 7.232 -7.044
55 HA LEU 7 HA LEU 7 -1.421 7.185 -4.373
56 1HB LEU 7 2HB LEU 7 0.395 9.072 -5.916
57 2HB LEU 7 1HB LEU 7 0.818 8.103 -4.534
58 HG LEU 7 HG LEU 7 0.136 7.017 -7.305
59 1HD1 LEU 7 3HD1 LEU 7 2.371 8.175 -7.078
60 2HD1 LEU 7 2HD1 LEU 7 2.776 7.031 -5.803
61 3HD1 LEU 7 1HD1 LEU 7 2.533 6.477 -7.416
62 1HD2 LEU 7 2HD2 LEU 7 -0.460 5.463 -5.418
63 2HD2 LEU 7 1HD2 LEU 7 0.884 4.857 -6.358
64 3HD2 LEU 7 3HD2 LEU 7 1.176 5.613 -4.806
65 H GLY 8 H GLY 8 -3.439 8.433 -3.826
66 1HA GLY 8 2HA GLY 8 -3.837 10.091 -2.000
67 2HA GLY 8 1HA GLY 8 -2.795 11.230 -2.882
68 H SER 9 H SER 9 -5.441 9.140 -3.556
69 HA SER 9 HA SER 9 -6.920 9.565 -5.569
70 1HB SER 9 2HB SER 9 -9.076 10.121 -4.233
71 2HB SER 9 1HB SER 9 -8.137 8.736 -3.722
72 HG SER 9 HG SER 9 -8.473 9.725 -2.011
73 H ASP 10 H ASP 10 -5.512 11.507 -6.188
74 HA ASP 10 HA ASP 10 -5.266 13.764 -6.802
75 1HB ASP 10 2HB ASP 10 -7.339 12.207 -8.326
76 2HB ASP 10 1HB ASP 10 -7.156 13.878 -8.816
77 H LYS 11 H LYS 11 -8.808 13.619 -6.461
78 HA LYS 11 HA LYS 11 -8.675 16.496 -5.503
79 1HB LYS 11 2HB LYS 11 -10.050 15.582 -7.640
80 2HB LYS 11 1HB LYS 11 -11.293 15.328 -6.451
81 1HG LYS 11 2HG LYS 11 -9.848 17.959 -7.140
82 2HG LYS 11 1HG LYS 11 -11.520 17.614 -7.476
83 1HD LYS 11 2HD LYS 11 -10.301 17.880 -4.673
84 2HD LYS 11 1HD LYS 11 -11.194 19.143 -5.482
85 1HE LYS 11 2HE LYS 11 -13.254 18.132 -5.211
86 2HE LYS 11 1HE LYS 11 -12.593 16.503 -5.187
87 1HZ LYS 11 1HZ LYS 11 -11.418 17.935 -3.065
88 2HZ LYS 11 3HZ LYS 11 -13.109 18.114 -2.894
89 3HZ LYS 11 2HZ LYS 11 -12.340 16.582 -3.015
90 H GLY 12 H GLY 12 -8.398 13.842 -4.086
91 1HA GLY 12 2HA GLY 12 -10.547 14.064 -1.978
92 2HA GLY 12 1HA GLY 12 -9.732 12.571 -2.391
93 H LEU 13 H LEU 13 -7.808 12.087 -1.460
94 HA LEU 13 HA LEU 13 -6.482 14.075 0.301
95 1HB LEU 13 2HB LEU 13 -8.380 13.205 1.607
96 2HB LEU 13 1HB LEU 13 -7.897 11.559 1.307
97 HG LEU 13 HG LEU 13 -5.904 11.822 2.765
98 1HD1 LEU 13 2HD1 LEU 13 -6.975 14.679 3.158
99 2HD1 LEU 13 1HD1 LEU 13 -5.584 13.995 3.974
100 3HD1 LEU 13 3HD1 LEU 13 -5.516 14.343 2.258
101 1HD2 LEU 13 2HD2 LEU 13 -8.438 12.979 3.981
102 2HD2 LEU 13 1HD2 LEU 13 -8.090 11.273 3.777
103 3HD2 LEU 13 3HD2 LEU 13 -7.118 12.240 4.868
104 H LEU 14 H LEU 14 -4.662 12.727 1.671
105 HA LEU 14 HA LEU 14 -2.892 11.646 -0.380
106 1HB LEU 14 2HB LEU 14 -2.702 12.153 2.613
107 2HB LEU 14 1HB LEU 14 -1.463 11.204 1.857
108 HG LEU 14 HG LEU 14 -2.215 13.938 0.782
109 1HD1 LEU 14 1HD1 LEU 14 -0.015 13.148 2.772
110 2HD1 LEU 14 3HD1 LEU 14 -0.233 14.748 2.085
111 3HD1 LEU 14 2HD1 LEU 14 -1.432 14.094 3.185
112 1HD2 LEU 14 3HD2 LEU 14 0.269 12.121 0.649
113 2HD2 LEU 14 2HD2 LEU 14 -0.853 12.374 -0.676
114 3HD2 LEU 14 1HD2 LEU 14 0.166 13.681 -0.115
115 H VAL 15 H VAL 15 -5.090 9.981 -0.353
116 HA VAL 15 HA VAL 15 -4.148 7.505 1.008
117 HB VAL 15 HB VAL 15 -6.213 8.403 1.838
118 1HG1 VAL 15 2HG1 VAL 15 -7.233 8.112 -1.021
119 2HG1 VAL 15 1HG1 VAL 15 -8.224 8.539 0.343
120 3HG1 VAL 15 3HG1 VAL 15 -6.980 9.635 -0.207
121 1HG2 VAL 15 1HG2 VAL 15 -6.109 5.901 1.750
122 2HG2 VAL 15 3HG2 VAL 15 -7.739 6.502 1.521
123 3HG2 VAL 15 2HG2 VAL 15 -6.835 5.934 0.149
124 H PHE 16 H PHE 16 -4.729 5.576 0.195
125 HA PHE 16 HA PHE 16 -4.234 5.144 -2.732
126 1HB PHE 16 2HB PHE 16 -3.664 3.586 -0.217
127 2HB PHE 16 1HB PHE 16 -3.806 2.711 -1.712
128 HD1 PHE 16 HD1 PHE 16 -2.254 6.045 -2.136
129 HD2 PHE 16 HD2 PHE 16 -1.669 1.984 -1.152
130 HE1 PHE 16 HE1 PHE 16 0.179 6.277 -2.560
131 HE2 PHE 16 HE2 PHE 16 0.737 2.193 -1.524
132 HZ PHE 16 HZ PHE 16 1.670 4.299 -2.231
133 H GLU 17 H GLU 17 -6.554 5.610 -3.135
134 HA GLU 17 HA GLU 17 -8.439 3.448 -2.418
135 1HB GLU 17 2HB GLU 17 -8.731 6.144 -3.773
136 2HB GLU 17 1HB GLU 17 -10.079 5.047 -3.562
137 1HG GLU 17 2HG GLU 17 -9.770 5.072 -1.085
138 2HG GLU 17 1HG GLU 17 -8.333 6.054 -1.247
139 HA PRO 18 HA PRO 18 -9.929 2.154 -2.922
140 1HB PRO 18 2HB PRO 18 -11.067 0.035 -3.959
141 2HB PRO 18 1HB PRO 18 -11.452 1.641 -4.607
142 1HG PRO 18 2HG PRO 18 -9.381 -0.388 -5.665
143 2HG PRO 18 1HG PRO 18 -10.662 0.392 -6.596
144 1HD PRO 18 2HD PRO 18 -8.052 1.397 -6.487
145 2HD PRO 18 1HD PRO 18 -9.456 2.447 -6.740
146 H ALA 19 H ALA 19 -7.794 1.814 -1.885
147 HA ALA 19 HA ALA 19 -5.897 0.520 -1.237
148 1HB ALA 19 1HB ALA 19 -8.393 -0.021 0.398
149 2HB ALA 19 3HB ALA 19 -6.754 -0.212 1.005
150 3HB ALA 19 2HB ALA 19 -7.324 1.368 0.504
151 H LYS 20 H LYS 20 -8.502 -1.734 -1.648
152 HA LYS 20 HA LYS 20 -6.508 -4.006 -1.571
153 1HB LYS 20 2HB LYS 20 -8.387 -5.520 -1.063
154 2HB LYS 20 1HB LYS 20 -8.370 -4.185 0.054
155 1HG LYS 20 2HG LYS 20 -10.352 -3.281 -0.634
156 2HG LYS 20 1HG LYS 20 -10.160 -3.694 -2.310
157 1HD LYS 20 2HD LYS 20 -10.465 -6.104 -0.474
158 2HD LYS 20 1HD LYS 20 -11.825 -5.024 -0.425
159 1HE LYS 20 2HE LYS 20 -12.066 -6.882 -2.130
160 2HE LYS 20 1HE LYS 20 -12.250 -5.261 -2.803
161 1HZ LYS 20 2HZ LYS 20 -9.512 -5.898 -2.725
162 2HZ LYS 20 1HZ LYS 20 -10.186 -7.139 -3.608
163 3HZ LYS 20 3HZ LYS 20 -10.360 -5.542 -4.044
164 H LEU 21 H LEU 21 -5.921 -3.277 -3.821
165 HA LEU 21 HA LEU 21 -7.815 -3.858 -5.984
166 1HB LEU 21 2HB LEU 21 -5.773 -2.329 -6.130
167 2HB LEU 21 1HB LEU 21 -4.782 -3.769 -6.138
168 HG LEU 21 HG LEU 21 -6.566 -2.638 -8.275
169 1HD1 LEU 21 1HD1 LEU 21 -3.850 -3.976 -8.191
170 2HD1 LEU 21 3HD1 LEU 21 -4.612 -3.432 -9.657
171 3HD1 LEU 21 2HD1 LEU 21 -4.182 -2.285 -8.406
172 1HD2 LEU 21 2HD2 LEU 21 -6.063 -5.662 -8.202
173 2HD2 LEU 21 1HD2 LEU 21 -7.616 -4.887 -8.162
174 3HD2 LEU 21 3HD2 LEU 21 -6.623 -4.778 -9.581
175 H THR 22 H THR 22 -8.539 -5.890 -6.259
176 HA THR 22 HA THR 22 -6.839 -8.261 -5.634
177 HB THR 22 HB THR 22 -9.741 -8.229 -6.710
178 HG1 THR 22 HG1 THR 22 -9.292 -9.193 -4.252
179 1HG2 THR 22 3HG2 THR 22 -8.077 -10.382 -5.256
180 2HG2 THR 22 2HG2 THR 22 -9.743 -10.556 -5.813
181 3HG2 THR 22 1HG2 THR 22 -8.437 -10.403 -6.966
182 H ILE 23 H ILE 23 -5.285 -7.796 -7.225
183 HA ILE 23 HA ILE 23 -5.955 -7.846 -10.047
184 HB ILE 23 HB ILE 23 -3.439 -7.957 -10.418
185 1HG1 ILE 23 2HG1 ILE 23 -3.015 -7.475 -7.500
186 2HG1 ILE 23 1HG1 ILE 23 -3.237 -9.121 -8.023
187 1HG2 ILE 23 3HG2 ILE 23 -4.526 -5.757 -10.212
188 2HG2 ILE 23 2HG2 ILE 23 -4.199 -5.847 -8.474
189 3HG2 ILE 23 1HG2 ILE 23 -2.876 -5.778 -9.615
190 1HD1 ILE 23 1HD1 ILE 23 -1.210 -7.200 -9.309
191 2HD1 ILE 23 3HD1 ILE 23 -0.764 -8.430 -8.148
192 3HD1 ILE 23 2HD1 ILE 23 -1.408 -8.883 -9.705
193 H LYS 24 H LYS 24 -4.323 -9.238 -11.374
194 HA LYS 24 HA LYS 24 -4.835 -11.990 -10.497
195 1HB LYS 24 2HB LYS 24 -4.595 -10.758 -13.287
196 2HB LYS 24 1HB LYS 24 -4.597 -12.470 -13.101
197 1HG LYS 24 2HG LYS 24 -6.896 -12.102 -13.434
198 2HG LYS 24 1HG LYS 24 -6.816 -12.099 -11.694
199 1HD LYS 24 2HD LYS 24 -8.130 -10.185 -12.124
200 2HD LYS 24 1HD LYS 24 -6.565 -9.485 -11.863
201 1HE LYS 24 2HE LYS 24 -7.472 -10.169 -14.660
202 2HE LYS 24 1HE LYS 24 -7.942 -8.668 -13.884
203 1HZ LYS 24 2HZ LYS 24 -5.130 -8.943 -13.512
204 2HZ LYS 24 1HZ LYS 24 -5.478 -9.201 -15.136
205 3HZ LYS 24 3HZ LYS 24 -6.030 -7.847 -14.382
206 HA PRO 25 HA PRO 25 -0.422 -12.884 -10.437
207 1HB PRO 25 2HB PRO 25 -0.062 -15.048 -12.148
208 2HB PRO 25 1HB PRO 25 -0.763 -15.190 -10.534
209 1HG PRO 25 2HG PRO 25 -2.256 -14.738 -13.179
210 2HG PRO 25 1HG PRO 25 -2.502 -16.062 -12.025
211 1HD PRO 25 2HD PRO 25 -4.120 -13.976 -11.787
212 2HD PRO 25 1HD PRO 25 -3.300 -14.514 -10.303
213 H GLY 26 H GLY 26 -0.030 -10.697 -11.459
214 1HA GLY 26 2HA GLY 26 2.095 -10.583 -13.240
215 2HA GLY 26 1HA GLY 26 0.756 -10.774 -14.332
216 H ASP 27 H ASP 27 -1.107 -9.211 -13.402
217 HA ASP 27 HA ASP 27 -1.372 -6.969 -14.438
218 1HB ASP 27 2HB ASP 27 -1.702 -7.654 -11.545
219 2HB ASP 27 1HB ASP 27 -2.307 -6.101 -12.043
220 H THR 28 H THR 28 0.271 -5.820 -15.287
221 HA THR 28 HA THR 28 2.399 -4.392 -14.037
222 HB THR 28 HB THR 28 0.994 -3.858 -16.642
223 HG1 THR 28 HG1 THR 28 3.155 -5.452 -15.779
224 1HG2 THR 28 2HG2 THR 28 3.916 -3.549 -15.707
225 2HG2 THR 28 1HG2 THR 28 3.327 -3.289 -17.349
226 3HG2 THR 28 3HG2 THR 28 2.889 -2.193 -16.069
227 H VAL 29 H VAL 29 0.136 -3.713 -12.782
228 HA VAL 29 HA VAL 29 -1.018 -1.133 -13.129
229 HB VAL 29 HB VAL 29 -0.311 -2.599 -10.530
230 1HG1 VAL 29 1HG1 VAL 29 -2.451 -0.458 -11.021
231 2HG1 VAL 29 3HG1 VAL 29 -2.195 -1.320 -9.517
232 3HG1 VAL 29 2HG1 VAL 29 -0.975 -0.215 -10.109
233 1HG2 VAL 29 1HG2 VAL 29 -2.897 -2.654 -12.171
234 2HG2 VAL 29 3HG2 VAL 29 -1.742 -3.961 -12.048
235 3HG2 VAL 29 2HG2 VAL 29 -2.637 -3.464 -10.639
236 H GLU 30 H GLU 30 -0.622 0.847 -12.470
237 HA GLU 30 HA GLU 30 2.169 1.470 -11.843
238 1HB GLU 30 2HB GLU 30 1.859 3.533 -13.134
239 2HB GLU 30 1HB GLU 30 1.435 2.138 -14.076
240 1HG GLU 30 2HG GLU 30 -0.892 2.547 -13.985
241 2HG GLU 30 1HG GLU 30 -0.779 3.367 -12.446
242 H PHE 31 H PHE 31 2.650 3.170 -10.664
243 HA PHE 31 HA PHE 31 0.717 4.093 -8.537
244 1HB PHE 31 2HB PHE 31 3.799 3.885 -8.542
245 2HB PHE 31 1HB PHE 31 2.873 4.405 -7.150
246 HD1 PHE 31 HD1 PHE 31 0.782 2.631 -6.670
247 HD2 PHE 31 HD2 PHE 31 4.552 1.656 -8.392
248 HE1 PHE 31 HE1 PHE 31 0.519 0.293 -5.946
249 HE2 PHE 31 HE2 PHE 31 4.282 -0.660 -7.662
250 HZ PHE 31 HZ PHE 31 2.264 -1.346 -6.438
251 H LEU 32 H LEU 32 -0.053 6.034 -9.067
252 HA LEU 32 HA LEU 32 1.424 7.907 -10.750
253 1HB LEU 32 2HB LEU 32 -0.801 6.961 -11.371
254 2HB LEU 32 1HB LEU 32 -1.510 7.852 -10.059
255 HG LEU 32 HG LEU 32 0.120 9.317 -12.183
256 1HD1 LEU 32 3HD1 LEU 32 -2.831 8.551 -12.307
257 2HD1 LEU 32 2HD1 LEU 32 -2.001 9.643 -13.428
258 3HD1 LEU 32 1HD1 LEU 32 -1.556 7.959 -13.336
259 1HD2 LEU 32 3HD2 LEU 32 -2.269 10.158 -10.456
260 2HD2 LEU 32 2HD2 LEU 32 -0.614 10.631 -10.175
261 3HD2 LEU 32 1HD2 LEU 32 -1.413 11.180 -11.617
262 H ASN 33 H ASN 33 2.478 9.465 -9.934
263 HA ASN 33 HA ASN 33 1.931 10.745 -7.353
264 1HB ASN 33 2HB ASN 33 3.864 11.451 -9.628
265 2HB ASN 33 1HB ASN 33 3.939 12.167 -8.026
266 1HD2 ASN 33 2HD2 ASN 33 5.342 8.483 -8.626
267 2HD2 ASN 33 1HD2 ASN 33 4.475 9.286 -9.867
268 H ASN 34 H ASN 34 -0.168 11.463 -7.649
269 HA ASN 34 HA ASN 34 -0.847 13.465 -9.673
270 1HB ASN 34 2HB ASN 34 -3.092 13.394 -8.455
271 2HB ASN 34 1HB ASN 34 -2.529 11.844 -9.027
272 1HD2 ASN 34 2HD2 ASN 34 -3.394 10.856 -5.771
273 2HD2 ASN 34 1HD2 ASN 34 -3.933 10.871 -7.398
274 H LYS 35 H LYS 35 -0.520 13.803 -6.175
275 HA LYS 35 HA LYS 35 0.061 16.686 -6.414
276 1HB LYS 35 2HB LYS 35 -2.296 15.553 -4.810
277 2HB LYS 35 1HB LYS 35 -1.711 17.172 -4.542
278 1HG LYS 35 2HG LYS 35 -3.205 17.829 -6.120
279 2HG LYS 35 1HG LYS 35 -2.088 17.195 -7.309
280 1HD LYS 35 2HD LYS 35 -3.248 14.875 -6.910
281 2HD LYS 35 1HD LYS 35 -4.368 15.725 -5.908
282 1HE LYS 35 2HE LYS 35 -5.442 15.479 -8.067
283 2HE LYS 35 1HE LYS 35 -4.976 17.161 -7.909
284 1HZ LYS 35 1HZ LYS 35 -2.735 15.803 -8.880
285 2HZ LYS 35 3HZ LYS 35 -4.070 15.161 -9.716
286 3HZ LYS 35 2HZ LYS 35 -3.710 16.829 -9.794
287 H VAL 36 H VAL 36 0.076 17.353 -3.791
288 HA VAL 36 HA VAL 36 2.051 17.304 -2.308
289 HB VAL 36 HB VAL 36 1.025 15.753 -0.397
290 1HG1 VAL 36 3HG1 VAL 36 -0.509 18.128 -1.594
291 2HG1 VAL 36 2HG1 VAL 36 -0.641 17.547 0.054
292 3HG1 VAL 36 1HG1 VAL 36 0.858 18.260 -0.500
293 1HG2 VAL 36 2HG2 VAL 36 -0.501 14.496 -1.999
294 2HG2 VAL 36 1HG2 VAL 36 -1.395 15.337 -0.745
295 3HG2 VAL 36 3HG2 VAL 36 -1.333 15.988 -2.363
296 HA PRO 37 HA PRO 37 4.035 13.387 -3.568
297 1HB PRO 37 2HB PRO 37 5.459 14.221 -5.687
298 2HB PRO 37 1HB PRO 37 3.693 14.392 -5.716
299 1HG PRO 37 2HG PRO 37 5.816 16.486 -5.002
300 2HG PRO 37 1HG PRO 37 4.441 16.682 -6.086
301 1HD PRO 37 2HD PRO 37 4.494 17.325 -3.281
302 2HD PRO 37 1HD PRO 37 3.035 17.232 -4.300
303 HA PRO 38 HA PRO 38 5.779 12.422 -4.879
304 1HB PRO 38 2HB PRO 38 7.961 11.073 -5.187
305 2HB PRO 38 1HB PRO 38 8.025 12.818 -5.471
306 1HG PRO 38 2HG PRO 38 8.784 11.324 -2.884
307 2HG PRO 38 1HG PRO 38 9.765 12.505 -3.770
308 1HD PRO 38 2HD PRO 38 8.072 13.155 -1.598
309 2HD PRO 38 1HD PRO 38 8.568 14.322 -2.840
310 H HIS 39 HN HIP 39 5.446 10.131 -5.160
311 HA HIS 39 HA HIP 39 4.936 8.730 -2.569
312 1HB HIS 39 2HB HIP 39 3.464 8.688 -5.127
313 2HB HIS 39 1HB HIP 39 2.914 7.886 -3.660
314 HD2 HIS 39 HD2 HIP 39 2.962 11.194 -5.531
315 HE1 HIS 39 HE1 HIP 39 1.279 12.103 -1.845
316 HE2 HIS 39 HE2 HIP 39 1.732 12.887 -4.086
317 H ASN 40 H ASN 40 7.102 7.281 -2.680
318 HA ASN 40 HA ASN 40 7.031 5.351 -4.964
319 1HB ASN 40 2HB ASN 40 9.208 5.637 -2.871
320 2HB ASN 40 1HB ASN 40 9.336 4.924 -4.476
321 1HD2 ASN 40 2HD2 ASN 40 10.631 7.851 -5.652
322 2HD2 ASN 40 1HD2 ASN 40 10.594 6.159 -5.716
323 H VAL 41 H VAL 41 6.719 3.117 -4.565
324 HA VAL 41 HA VAL 41 6.211 2.433 -1.685
325 HB VAL 41 HB VAL 41 4.600 0.969 -2.187
326 1HG1 VAL 41 1HG1 VAL 41 3.915 3.359 -2.067
327 2HG1 VAL 41 3HG1 VAL 41 4.198 3.561 -3.777
328 3HG1 VAL 41 2HG1 VAL 41 2.900 2.528 -3.224
329 1HG2 VAL 41 1HG2 VAL 41 5.040 1.711 -5.174
330 2HG2 VAL 41 3HG2 VAL 41 5.326 0.122 -4.506
331 3HG2 VAL 41 2HG2 VAL 41 3.705 0.749 -4.613
332 H VAL 42 H VAL 42 7.580 1.263 -0.703
333 HA VAL 42 HA VAL 42 9.153 -0.795 -2.130
334 HB VAL 42 HB VAL 42 9.913 -1.446 0.268
335 1HG1 VAL 42 2HG1 VAL 42 9.978 1.545 -0.317
336 2HG1 VAL 42 1HG1 VAL 42 11.079 0.718 0.756
337 3HG1 VAL 42 3HG1 VAL 42 11.102 0.363 -0.959
338 1HG2 VAL 42 1HG2 VAL 42 7.785 -0.704 1.467
339 2HG2 VAL 42 3HG2 VAL 42 9.246 -0.012 2.150
340 3HG2 VAL 42 2HG2 VAL 42 8.260 0.958 1.101
341 H PHE 43 H PHE 43 8.799 -3.134 -1.438
342 HA PHE 43 HA PHE 43 5.891 -3.657 -1.295
343 1HB PHE 43 2HB PHE 43 7.932 -4.817 -2.727
344 2HB PHE 43 1HB PHE 43 6.771 -5.960 -2.087
345 HD1 PHE 43 HD2 PHE 43 6.155 -2.401 -3.238
346 HD2 PHE 43 HD1 PHE 43 5.492 -6.546 -3.895
347 HE1 PHE 43 HE2 PHE 43 4.554 -1.860 -4.977
348 HE2 PHE 43 HE1 PHE 43 3.887 -6.003 -5.636
349 HZ PHE 43 HZ PHE 43 3.391 -3.659 -6.196
350 H ASP 44 H ASP 44 5.064 -4.685 0.376
351 HA ASP 44 HA ASP 44 6.465 -5.374 2.644
352 1HB ASP 44 2HB ASP 44 3.783 -5.806 1.537
353 2HB ASP 44 1HB ASP 44 4.141 -6.703 3.006
354 H ALA 45 H ALA 45 8.098 -6.514 2.555
355 HA ALA 45 HA ALA 45 8.063 -9.378 1.945
356 1HB ALA 45 3HB ALA 45 9.994 -7.910 1.275
357 2HB ALA 45 2HB ALA 45 10.281 -7.499 2.955
358 3HB ALA 45 1HB ALA 45 10.539 -9.147 2.396
359 H ALA 46 H ALA 46 6.889 -7.421 4.096
360 HA ALA 46 HA ALA 46 7.283 -8.830 6.672
361 1HB ALA 46 3HB ALA 46 6.576 -5.970 6.022
362 2HB ALA 46 2HB ALA 46 6.704 -6.632 7.639
363 3HB ALA 46 1HB ALA 46 8.120 -6.557 6.605
364 H LEU 47 H LEU 47 4.708 -6.777 5.185
365 HA LEU 47 HA LEU 47 2.567 -8.275 6.522
366 1HB LEU 47 2HB LEU 47 2.665 -5.774 4.832
367 2HB LEU 47 1HB LEU 47 1.169 -6.406 5.401
368 HG LEU 47 HG LEU 47 1.735 -5.957 7.730
369 1HD1 LEU 47 1HD1 LEU 47 4.431 -5.000 6.661
370 2HD1 LEU 47 3HD1 LEU 47 3.888 -4.872 8.322
371 3HD1 LEU 47 2HD1 LEU 47 4.212 -6.446 7.635
372 1HD2 LEU 47 3HD2 LEU 47 2.605 -3.742 5.813
373 2HD2 LEU 47 2HD2 LEU 47 0.944 -4.094 6.239
374 3HD2 LEU 47 1HD2 LEU 47 2.044 -3.465 7.457
375 H ASN 48 H ASN 48 3.038 -10.289 5.014
376 HA ASN 48 HA ASN 48 0.737 -10.638 3.381
377 1HB ASN 48 2HB ASN 48 1.332 -9.573 1.526
378 2HB ASN 48 1HB ASN 48 2.923 -9.203 2.106
379 1HD2 ASN 48 2HD2 ASN 48 4.394 -11.131 -0.284
380 2HD2 ASN 48 1HD2 ASN 48 4.524 -9.862 0.854
381 HA PRO 49 HA PRO 49 1.482 -15.086 3.432
382 1HB PRO 49 2HB PRO 49 0.589 -15.634 0.777
383 2HB PRO 49 1HB PRO 49 -0.456 -15.521 2.192
384 1HG PRO 49 2HG PRO 49 0.343 -13.291 0.284
385 2HG PRO 49 1HG PRO 49 -1.297 -13.760 0.766
386 1HD PRO 49 2HD PRO 49 -0.245 -11.723 2.032
387 2HD PRO 49 1HD PRO 49 -0.871 -13.004 3.085
388 H ALA 50 H ALA 50 2.497 -13.721 0.318
389 HA ALA 50 HA ALA 50 5.010 -15.371 0.553
390 1HB ALA 50 3HB ALA 50 3.692 -15.755 -1.561
391 2HB ALA 50 2HB ALA 50 3.867 -14.031 -1.938
392 3HB ALA 50 1HB ALA 50 5.280 -15.056 -1.857
393 H LYS 51 H LYS 51 5.309 -13.686 2.127
394 HA LYS 51 HA LYS 51 6.132 -11.025 1.314
395 1HB LYS 51 2HB LYS 51 6.810 -10.973 3.780
396 2HB LYS 51 1HB LYS 51 5.152 -11.386 3.475
397 1HG LYS 51 2HG LYS 51 5.343 -13.603 4.144
398 2HG LYS 51 1HG LYS 51 6.993 -13.773 3.589
399 1HD LYS 51 2HD LYS 51 6.251 -11.956 5.914
400 2HD LYS 51 1HD LYS 51 6.541 -13.668 6.176
401 1HE LYS 51 2HE LYS 51 8.798 -13.545 5.503
402 2HE LYS 51 1HE LYS 51 8.562 -12.091 4.560
403 1HZ LYS 51 3HZ LYS 51 7.804 -11.541 7.213
404 2HZ LYS 51 2HZ LYS 51 9.385 -12.197 7.248
405 3HZ LYS 51 1HZ LYS 51 9.005 -10.867 6.239
406 H SER 52 H SER 52 7.339 -12.552 -0.313
407 HA SER 52 HA SER 52 10.167 -12.947 0.490
408 1HB SER 52 2HB SER 52 9.001 -14.980 -0.077
409 2HB SER 52 1HB SER 52 8.738 -14.374 -1.722
410 HG SER 52 HG SER 52 10.993 -14.173 -1.967
411 H ALA 53 H ALA 53 9.933 -10.341 -0.289
412 HA ALA 53 HA ALA 53 9.906 -9.275 -2.761
413 1HB ALA 53 2HB ALA 53 12.269 -9.025 -0.797
414 2HB ALA 53 1HB ALA 53 11.908 -7.846 -2.057
415 3HB ALA 53 3HB ALA 53 10.786 -8.087 -0.737
416 H ASP 54 H ASP 54 12.772 -11.301 -2.029
417 HA ASP 54 HA ASP 54 14.244 -10.954 -4.358
418 1HB ASP 54 2HB ASP 54 13.595 -13.325 -2.490
419 2HB ASP 54 1HB ASP 54 14.890 -13.409 -3.687
420 H LEU 55 H LEU 55 11.176 -12.534 -4.167
421 HA LEU 55 HA LEU 55 10.940 -13.960 -6.506
422 1HB LEU 55 2HB LEU 55 8.476 -13.577 -6.321
423 2HB LEU 55 1HB LEU 55 9.071 -13.450 -4.683
424 HG LEU 55 HG LEU 55 9.361 -10.908 -5.309
425 1HD1 LEU 55 1HD1 LEU 55 8.474 -11.159 -7.714
426 2HD1 LEU 55 3HD1 LEU 55 6.948 -11.674 -7.075
427 3HD1 LEU 55 2HD1 LEU 55 7.492 -10.045 -6.799
428 1HD2 LEU 55 2HD2 LEU 55 6.619 -12.077 -4.692
429 2HD2 LEU 55 1HD2 LEU 55 7.842 -11.617 -3.508
430 3HD2 LEU 55 3HD2 LEU 55 7.022 -10.406 -4.462
431 H ALA 56 H ALA 56 11.246 -10.682 -6.269
432 HA ALA 56 HA ALA 56 11.885 -10.357 -9.072
433 1HB ALA 56 3HB ALA 56 9.270 -9.219 -8.040
434 2HB ALA 56 2HB ALA 56 9.975 -8.812 -9.582
435 3HB ALA 56 1HB ALA 56 9.484 -10.472 -9.240
436 H LYS 57 H LYS 57 11.411 -8.856 -6.102
437 HA LYS 57 HA LYS 57 12.121 -6.761 -5.080
438 1HB LYS 57 2HB LYS 57 14.336 -7.783 -6.886
439 2HB LYS 57 1HB LYS 57 14.267 -6.048 -7.037
440 1HG LYS 57 2HG LYS 57 15.832 -6.398 -5.283
441 2HG LYS 57 1HG LYS 57 14.360 -5.927 -4.454
442 1HD LYS 57 2HD LYS 57 13.809 -8.374 -4.063
443 2HD LYS 57 1HD LYS 57 15.279 -8.836 -4.893
444 1HE LYS 57 2HE LYS 57 16.603 -7.567 -3.134
445 2HE LYS 57 1HE LYS 57 15.090 -7.303 -2.263
446 1HZ LYS 57 3HZ LYS 57 15.245 -10.045 -3.028
447 2HZ LYS 57 2HZ LYS 57 16.632 -9.780 -2.309
448 3HZ LYS 57 1HZ LYS 57 15.223 -9.548 -1.491
449 H SER 58 H SER 58 12.236 -6.327 -8.606
450 HA SER 58 HA SER 58 11.579 -3.673 -8.879
451 1HB SER 58 2HB SER 58 10.144 -5.923 -10.413
452 2HB SER 58 1HB SER 58 10.537 -4.297 -11.002
453 HG SER 58 HG SER 58 12.346 -6.436 -10.400
454 H LEU 59 H LEU 59 9.727 -6.240 -7.675
455 HA LEU 59 HA LEU 59 7.002 -5.463 -7.482
456 1HB LEU 59 2HB LEU 59 6.861 -7.099 -5.881
457 2HB LEU 59 1HB LEU 59 7.934 -7.604 -7.146
458 HG LEU 59 HG LEU 59 9.825 -6.637 -5.476
459 1HD1 LEU 59 3HD1 LEU 59 7.868 -6.038 -4.058
460 2HD1 LEU 59 2HD1 LEU 59 7.569 -7.699 -3.706
461 3HD1 LEU 59 1HD1 LEU 59 9.088 -6.963 -3.176
462 1HD2 LEU 59 1HD2 LEU 59 8.347 -9.137 -5.070
463 2HD2 LEU 59 3HD2 LEU 59 9.624 -8.907 -6.246
464 3HD2 LEU 59 2HD2 LEU 59 9.950 -8.684 -4.552
465 H SER 60 H SER 60 9.543 -5.153 -4.819
466 HA SER 60 HA SER 60 8.426 -2.894 -3.537
467 1HB SER 60 2HB SER 60 10.776 -3.141 -2.250
468 2HB SER 60 1HB SER 60 9.741 -4.564 -2.119
469 HG SER 60 HG SER 60 11.372 -4.280 -4.380
470 H HIS 61 H HIS 61 8.399 -1.061 -4.664
471 HA HIS 61 HA HIS 61 10.838 -0.071 -6.023
472 1HB HIS 61 2HB HIS 61 8.658 0.131 -7.200
473 2HB HIS 61 1HB HIS 61 7.934 0.938 -5.822
474 HD1 HIS 61 HD1 HIS 61 10.891 1.535 -8.019
475 HD2 HIS 61 HD2 HIS 61 7.984 3.665 -6.136
476 HE1 HIS 61 HE1 HIS 61 11.287 3.952 -8.601
477 H LYS 62 H LYS 62 10.839 2.619 -5.544
478 HA LYS 62 HA LYS 62 10.442 3.916 -3.174
479 1HB LYS 62 2HB LYS 62 12.382 3.510 -1.704
480 2HB LYS 62 1HB LYS 62 11.223 2.266 -1.748
481 1HG LYS 62 2HG LYS 62 12.762 0.717 -2.498
482 2HG LYS 62 1HG LYS 62 13.245 1.729 -3.831
483 1HD LYS 62 2HD LYS 62 14.191 2.077 -0.914
484 2HD LYS 62 1HD LYS 62 15.157 1.249 -2.115
485 1HE LYS 62 2HE LYS 62 14.228 4.164 -2.307
486 2HE LYS 62 1HE LYS 62 15.820 3.649 -1.797
487 1HZ LYS 62 1HZ LYS 62 15.346 2.196 -4.111
488 2HZ LYS 62 3HZ LYS 62 14.732 3.697 -4.480
489 3HZ LYS 62 2HZ LYS 62 16.343 3.598 -4.015
490 H GLN 63 H GLN 63 11.721 5.636 -2.676
491 HA GLN 63 HA GLN 63 13.583 7.036 -2.689
492 1HB GLN 63 2HB GLN 63 14.760 5.321 -4.023
493 2HB GLN 63 1HB GLN 63 14.196 6.074 -5.509
494 1HG GLN 63 2HG GLN 63 15.614 8.010 -5.060
495 2HG GLN 63 1HG GLN 63 15.915 7.515 -3.398
496 1HE2 GLN 63 2HE2 GLN 63 18.478 6.225 -6.004
497 2HE2 GLN 63 1HE2 GLN 63 17.601 7.681 -6.124
498 H LEU 64 H LEU 64 11.543 8.286 -2.796
499 HA LEU 64 HA LEU 64 10.230 10.044 -3.588
500 1HB LEU 64 2HB LEU 64 13.121 10.800 -3.914
501 2HB LEU 64 1HB LEU 64 11.904 12.002 -4.208
502 HG LEU 64 HG LEU 64 11.029 11.695 -1.873
503 1HD1 LEU 64 3HD1 LEU 64 13.411 9.823 -1.523
504 2HD1 LEU 64 2HD1 LEU 64 12.407 10.444 -0.230
505 3HD1 LEU 64 1HD1 LEU 64 11.724 9.359 -1.393
506 1HD2 LEU 64 2HD2 LEU 64 12.812 13.385 -2.366
507 2HD2 LEU 64 1HD2 LEU 64 13.023 12.721 -0.757
508 3HD2 LEU 64 3HD2 LEU 64 14.042 12.170 -2.074
509 H LEU 65 H LEU 65 9.068 9.194 -5.355
510 HA LEU 65 HA LEU 65 9.915 9.470 -8.114
511 1HB LEU 65 2HB LEU 65 7.189 8.951 -6.823
512 2HB LEU 65 1HB LEU 65 7.348 9.134 -8.549
513 HG LEU 65 HG LEU 65 8.711 6.957 -6.917
514 1HD1 LEU 65 1HD1 LEU 65 6.226 6.740 -7.162
515 2HD1 LEU 65 3HD1 LEU 65 6.406 6.879 -8.904
516 3HD1 LEU 65 2HD1 LEU 65 7.090 5.509 -8.056
517 1HD2 LEU 65 1HD2 LEU 65 8.514 7.435 -9.930
518 2HD2 LEU 65 3HD2 LEU 65 9.985 7.611 -8.997
519 3HD2 LEU 65 2HD2 LEU 65 9.253 6.040 -9.172
520 H MET 66 H MET 66 10.599 11.625 -8.144
521 HA MET 66 HA MET 66 8.688 13.864 -7.881
522 1HB MET 66 2HB MET 66 11.408 13.722 -9.100
523 2HB MET 66 1HB MET 66 10.528 15.192 -8.673
524 1HG MET 66 2HG MET 66 11.500 13.042 -6.716
525 2HG MET 66 1HG MET 66 12.178 14.627 -6.862
526 1HE MET 66 1HE MET 66 10.755 16.798 -6.525
527 2HE MET 66 3HE MET 66 10.055 16.933 -4.929
528 3HE MET 66 2HE MET 66 11.719 16.393 -5.086
529 H SER 67 H SER 67 7.507 12.527 -9.282
530 HA SER 67 HA SER 67 7.534 13.165 -12.227
531 1HB SER 67 2HB SER 67 6.291 10.834 -10.729
532 2HB SER 67 1HB SER 67 6.085 11.093 -12.453
533 HG SER 67 HG SER 67 8.705 11.408 -11.725
534 HA PRO 68 HA PRO 68 3.935 15.524 -10.181
535 1HB PRO 68 2HB PRO 68 4.282 17.820 -11.708
536 2HB PRO 68 1HB PRO 68 5.116 17.540 -10.176
537 1HG PRO 68 2HG PRO 68 6.097 16.832 -13.004
538 2HG PRO 68 1HG PRO 68 6.941 17.841 -11.822
539 1HD PRO 68 2HD PRO 68 7.632 15.292 -11.944
540 2HD PRO 68 1HD PRO 68 7.256 15.907 -10.315
541 H GLY 69 H GLY 69 2.654 13.861 -11.170
542 1HA GLY 69 2HA GLY 69 0.511 13.844 -12.437
543 2HA GLY 69 1HA GLY 69 1.307 14.734 -13.722
544 H GLN 70 H GLN 70 3.315 12.372 -12.583
545 HA GLN 70 HA GLN 70 2.424 10.428 -14.680
546 1HB GLN 70 2HB GLN 70 4.236 11.648 -15.572
547 2HB GLN 70 1HB GLN 70 5.166 11.607 -14.113
548 1HG GLN 70 2HG GLN 70 5.424 9.011 -14.494
549 2HG GLN 70 1HG GLN 70 4.590 9.241 -16.020
550 1HE2 GLN 70 2HE2 GLN 70 8.429 9.885 -15.956
551 2HE2 GLN 70 1HE2 GLN 70 7.650 9.102 -14.656
552 H SER 71 H SER 71 3.002 8.362 -14.598
553 HA SER 71 HA SER 71 3.322 7.207 -11.871
554 1HB SER 71 2HB SER 71 1.871 5.907 -14.155
555 2HB SER 71 1HB SER 71 1.840 5.453 -12.442
556 HG SER 71 HG SER 71 0.157 6.869 -13.146
557 H THR 72 H THR 72 4.195 5.301 -11.505
558 HA THR 72 HA THR 72 6.282 4.255 -13.469
559 HB THR 72 HB THR 72 7.344 5.131 -11.399
560 HG1 THR 72 HG1 THR 72 7.672 2.421 -11.173
561 1HG2 THR 72 2HG2 THR 72 6.036 2.657 -10.098
562 2HG2 THR 72 1HG2 THR 72 7.187 3.762 -9.365
563 3HG2 THR 72 3HG2 THR 72 5.547 4.298 -9.712
564 H SER 73 H SER 73 6.261 1.857 -13.717
565 HA SER 73 HA SER 73 3.821 0.515 -12.549
566 1HB SER 73 2HB SER 73 5.135 0.165 -15.209
567 2HB SER 73 1HB SER 73 4.251 -1.200 -14.520
568 HG SER 73 HG SER 73 2.427 -0.132 -14.788
569 H THR 74 H THR 74 3.735 -1.358 -11.694
570 HA THR 74 HA THR 74 6.296 -2.848 -11.120
571 HB THR 74 HB THR 74 3.924 -2.396 -9.253
572 HG1 THR 74 HG1 THR 74 6.522 -1.871 -8.557
573 1HG2 THR 74 1HG2 THR 74 6.640 -3.769 -8.824
574 2HG2 THR 74 3HG2 THR 74 5.403 -3.520 -7.606
575 3HG2 THR 74 2HG2 THR 74 5.128 -4.671 -8.907
576 H THR 75 H THR 75 6.242 -4.513 -12.495
577 HA THR 75 HA THR 75 3.778 -6.179 -12.820
578 HB THR 75 HB THR 75 6.470 -6.442 -14.286
579 HG1 THR 75 HG1 THR 75 4.987 -5.733 -15.964
580 1HG2 THR 75 2HG2 THR 75 3.676 -7.555 -14.927
581 2HG2 THR 75 1HG2 THR 75 5.117 -7.781 -15.903
582 3HG2 THR 75 3HG2 THR 75 4.992 -8.559 -14.356
583 H PHE 76 H PHE 76 3.674 -8.301 -12.584
584 HA PHE 76 HA PHE 76 5.542 -9.543 -10.592
585 1HB PHE 76 2HB PHE 76 2.603 -10.072 -11.248
586 2HB PHE 76 1HB PHE 76 3.474 -10.975 -10.035
587 HD1 PHE 76 HD1 PHE 76 4.218 -9.815 -7.944
588 HD2 PHE 76 HD2 PHE 76 1.932 -7.774 -10.905
589 HE1 PHE 76 HE1 PHE 76 3.724 -8.034 -6.342
590 HE2 PHE 76 HE2 PHE 76 1.448 -6.005 -9.330
591 HZ PHE 76 HZ PHE 76 2.325 -6.107 -7.032
592 HA PRO 77 HA PRO 77 6.026 -13.001 -13.523
593 1HB PRO 77 2HB PRO 77 6.443 -15.127 -11.855
594 2HB PRO 77 1HB PRO 77 7.637 -13.833 -11.948
595 1HG PRO 77 2HG PRO 77 5.289 -14.048 -9.964
596 2HG PRO 77 1HG PRO 77 7.005 -13.946 -9.562
597 1HD PRO 77 2HD PRO 77 5.521 -11.672 -9.632
598 2HD PRO 77 1HD PRO 77 7.162 -11.647 -10.322
599 H ALA 78 H ALA 78 4.935 -15.416 -13.569
600 HA ALA 78 HA ALA 78 1.980 -14.895 -13.470
601 1HB ALA 78 1HB ALA 78 3.069 -15.601 -15.645
602 2HB ALA 78 3HB ALA 78 3.670 -17.054 -14.852
603 3HB ALA 78 2HB ALA 78 1.941 -16.832 -15.088
604 H ASP 79 H ASP 79 4.487 -16.491 -12.115
605 HA ASP 79 HA ASP 79 3.298 -18.696 -10.688
606 1HB ASP 79 2HB ASP 79 6.080 -17.448 -10.327
607 2HB ASP 79 1HB ASP 79 5.656 -19.141 -10.302
608 H ALA 80 H ALA 80 1.975 -16.406 -10.197
609 HA ALA 80 HA ALA 80 2.589 -15.563 -7.379
610 1HB ALA 80 3HB ALA 80 1.161 -14.120 -9.623
611 2HB ALA 80 2HB ALA 80 1.393 -13.482 -8.000
612 3HB ALA 80 1HB ALA 80 2.782 -13.782 -9.043
613 HA PRO 81 HA PRO 81 -1.475 -17.634 -6.749
614 1HB PRO 81 2HB PRO 81 -0.815 -19.332 -4.798
615 2HB PRO 81 1HB PRO 81 -0.245 -19.646 -6.442
616 1HG PRO 81 2HG PRO 81 1.262 -18.004 -4.273
617 2HG PRO 81 1HG PRO 81 1.858 -19.506 -4.997
618 1HD PRO 81 2HD PRO 81 2.568 -17.105 -6.015
619 2HD PRO 81 1HD PRO 81 2.178 -18.414 -7.154
620 H ALA 82 H ALA 82 -2.602 -17.812 -4.527
621 HA ALA 82 HA ALA 82 -3.621 -15.699 -3.390
622 1HB ALA 82 2HB ALA 82 -2.365 -17.961 -1.750
623 2HB ALA 82 1HB ALA 82 -3.652 -16.916 -1.170
624 3HB ALA 82 3HB ALA 82 -3.945 -17.996 -2.527
625 H GLY 83 H GLY 83 -2.189 -14.013 -3.871
626 1HA GLY 83 2HA GLY 83 -0.206 -13.380 -1.675
627 2HA GLY 83 1HA GLY 83 0.013 -12.926 -3.321
628 H GLU 84 H GLU 84 -0.523 -11.733 -0.447
629 HA GLU 84 HA GLU 84 -2.165 -9.406 -1.348
630 1HB GLU 84 2HB GLU 84 -1.092 -10.085 1.398
631 2HB GLU 84 1HB GLU 84 -2.214 -8.842 1.042
632 1HG GLU 84 2HG GLU 84 -3.885 -10.746 0.218
633 2HG GLU 84 1HG GLU 84 -2.660 -11.874 0.690
634 H TYR 85 H TYR 85 -0.041 -9.259 -2.723
635 HA TYR 85 HA TYR 85 2.412 -8.283 -1.553
636 1HB TYR 85 2HB TYR 85 1.438 -7.636 -4.379
637 2HB TYR 85 1HB TYR 85 3.068 -7.879 -3.840
638 HD1 TYR 85 HD2 TYR 85 2.550 -10.473 -2.155
639 HD2 TYR 85 HD1 TYR 85 1.414 -9.335 -6.096
640 HE1 TYR 85 HE2 TYR 85 2.433 -12.841 -2.837
641 HE2 TYR 85 HE1 TYR 85 1.314 -11.722 -6.723
642 HH TYR 85 HH TYR 85 0.986 -14.198 -4.915
643 H THR 86 H THR 86 1.552 -6.863 0.011
644 HA THR 86 HA THR 86 0.302 -4.360 -0.420
645 HB THR 86 HB THR 86 2.058 -5.133 1.958
646 HG1 THR 86 HG1 THR 86 0.477 -6.444 2.265
647 1HG2 THR 86 2HG2 THR 86 1.133 -2.728 1.878
648 2HG2 THR 86 1HG2 THR 86 -0.470 -3.460 1.786
649 3HG2 THR 86 3HG2 THR 86 0.557 -3.745 3.181
650 H PHE 87 H PHE 87 0.908 -2.434 -0.849
651 HA PHE 87 HA PHE 87 3.724 -1.843 -1.346
652 1HB PHE 87 2HB PHE 87 2.759 0.004 -2.875
653 2HB PHE 87 1HB PHE 87 3.007 -1.647 -3.389
654 HD1 PHE 87 HD1 PHE 87 1.042 -3.223 -3.225
655 HD2 PHE 87 HD2 PHE 87 0.732 0.988 -3.136
656 HE1 PHE 87 HE1 PHE 87 -1.254 -3.397 -3.930
657 HE2 PHE 87 HE2 PHE 87 -1.566 0.882 -3.815
658 HZ PHE 87 HZ PHE 87 -2.643 -1.341 -4.245
659 H TYR 88 H TYR 88 4.638 -0.255 -0.599
660 HA TYR 88 HA TYR 88 3.693 1.510 1.450
661 1HB TYR 88 2HB TYR 88 6.116 0.219 0.511
662 2HB TYR 88 1HB TYR 88 6.478 1.788 1.147
663 HD1 TYR 88 HD1 TYR 88 4.232 -1.039 1.987
664 HD2 TYR 88 HD2 TYR 88 7.050 1.888 3.188
665 HE1 TYR 88 HE1 TYR 88 4.103 -1.861 4.155
666 HE2 TYR 88 HE2 TYR 88 6.988 1.107 5.394
667 HH TYR 88 HH TYR 88 5.092 -1.838 6.126
668 H CYS 89 H CYS 89 2.669 3.809 0.500
669 HA CYS 89 HA CYS 89 4.636 5.262 -1.066
670 1HB CYS 89 2HB CYS 89 2.176 5.683 -0.726
671 2HB CYS 89 1HB CYS 89 2.600 6.502 0.759
672 H GLU 90 H GLU 90 6.570 4.885 -0.003
673 HA GLU 90 HA GLU 90 7.844 5.083 2.261
674 1HB GLU 90 2HB GLU 90 8.843 4.621 0.301
675 2HB GLU 90 1HB GLU 90 8.354 6.048 -0.540
676 1HG GLU 90 2HG GLU 90 10.230 7.261 1.031
677 2HG GLU 90 1HG GLU 90 10.737 5.632 1.377
678 HA PRO 91 HA PRO 91 8.358 9.640 3.378
679 1HB PRO 91 2HB PRO 91 7.606 11.674 1.743
680 2HB PRO 91 1HB PRO 91 9.111 10.781 1.462
681 1HG PRO 91 2HG PRO 91 6.357 10.163 0.213
682 2HG PRO 91 1HG PRO 91 7.845 10.542 -0.649
683 1HD PRO 91 2HD PRO 91 7.231 7.952 -0.228
684 2HD PRO 91 1HD PRO 91 8.904 8.476 0.037
685 H HIS 92 HN HIP 92 5.562 8.333 2.431
686 HA HIS 92 HA HIP 92 3.839 10.042 4.210
687 1HB HIS 92 2HB HIP 92 2.995 8.476 1.715
688 2HB HIS 92 1HB HIP 92 1.968 9.576 2.627
689 HD2 HIS 92 HD2 HIP 92 4.248 12.052 2.881
690 HE1 HIS 92 HE1 HIP 92 4.010 12.003 -1.283
691 HE2 HIS 92 HE2 HIP 92 4.691 13.258 0.682
692 H ARG 93 H ARG 93 5.026 6.981 3.719
693 HA ARG 93 HA ARG 93 3.530 4.910 4.426
694 1HB ARG 93 2HB ARG 93 6.057 5.190 4.296
695 2HB ARG 93 1HB ARG 93 6.038 5.601 5.983
696 1HG ARG 93 2HG ARG 93 5.057 2.931 4.817
697 2HG ARG 93 1HG ARG 93 6.632 3.199 5.536
698 1HD ARG 93 2HD ARG 93 5.349 3.948 7.639
699 2HD ARG 93 1HD ARG 93 3.937 3.201 6.926
700 HE ARG 93 HE ARG 93 5.235 0.978 6.820
701 1HH1 ARG 93 1HH2 ARG 93 6.119 3.279 9.044
702 2HH1 ARG 93 2HH2 ARG 93 7.142 2.204 9.931
703 1HH2 ARG 93 2HH1 ARG 93 6.424 -0.252 7.623
704 2HH2 ARG 93 1HH1 ARG 93 7.350 0.056 9.059
705 H GLY 94 H GLY 94 1.606 5.705 5.461
706 1HA GLY 94 2HA GLY 94 0.790 4.777 7.875
707 2HA GLY 94 1HA GLY 94 1.700 6.174 8.430
708 H ALA 95 H ALA 95 0.927 7.839 6.236
709 HA ALA 95 HA ALA 95 -1.685 8.747 7.286
710 1HB ALA 95 3HB ALA 95 0.212 10.342 6.770
711 2HB ALA 95 2HB ALA 95 0.164 9.832 5.088
712 3HB ALA 95 1HB ALA 95 -1.192 10.705 5.770
713 H GLY 96 H GLY 96 -2.440 6.648 6.591
714 1HA GLY 96 2HA GLY 96 -3.654 5.114 5.164
715 2HA GLY 96 1HA GLY 96 -4.482 6.586 4.718
716 H MET 97 H MET 97 -1.227 6.160 3.868
717 HA MET 97 HA MET 97 -1.976 5.881 0.979
718 1HB MET 97 2HB MET 97 -0.831 7.968 2.061
719 2HB MET 97 1HB MET 97 0.624 6.996 2.106
720 1HG MET 97 2HG MET 97 0.566 6.734 -0.310
721 2HG MET 97 1HG MET 97 -1.033 7.383 -0.366
722 1HE MET 97 3HE MET 97 -1.144 8.844 -1.880
723 2HE MET 97 2HE MET 97 -1.587 10.051 -0.679
724 3HE MET 97 1HE MET 97 -0.451 10.436 -1.960
725 H VAL 98 H VAL 98 -1.931 3.664 2.456
726 HA VAL 98 HA VAL 98 0.382 2.001 1.570
727 HB VAL 98 HB VAL 98 -0.359 0.528 3.404
728 1HG1 VAL 98 3HG1 VAL 98 0.475 3.393 4.113
729 2HG1 VAL 98 2HG1 VAL 98 0.725 1.991 5.145
730 3HG1 VAL 98 1HG1 VAL 98 1.576 2.119 3.615
731 1HG2 VAL 98 1HG2 VAL 98 -2.644 1.425 3.769
732 2HG2 VAL 98 3HG2 VAL 98 -1.696 1.534 5.235
733 3HG2 VAL 98 2HG2 VAL 98 -1.979 2.967 4.267
734 H GLY 99 H GLY 99 -0.208 0.269 0.113
735 1HA GLY 99 2HA GLY 99 -3.184 -0.381 -0.148
736 2HA GLY 99 1HA GLY 99 -2.171 -0.245 -1.563
737 H LYS 100 H LYS 100 -3.770 -2.524 -0.816
738 HA LYS 100 HA LYS 100 -1.600 -4.571 -0.325
739 1HB LYS 100 2HB LYS 100 -3.273 -4.289 1.496
740 2HB LYS 100 1HB LYS 100 -4.531 -4.832 0.392
741 1HG LYS 100 2HG LYS 100 -3.119 -6.989 0.037
742 2HG LYS 100 1HG LYS 100 -1.997 -6.386 1.227
743 1HD LYS 100 2HD LYS 100 -3.371 -7.818 2.555
744 2HD LYS 100 1HD LYS 100 -4.036 -6.239 2.865
745 1HE LYS 100 2HE LYS 100 -5.883 -7.693 2.455
746 2HE LYS 100 1HE LYS 100 -5.728 -6.695 1.005
747 1HZ LYS 100 2HZ LYS 100 -4.022 -8.991 0.909
748 2HZ LYS 100 1HZ LYS 100 -5.512 -9.500 1.213
749 3HZ LYS 100 3HZ LYS 100 -5.240 -8.580 -0.212
750 H ILE 101 H ILE 101 -1.187 -4.721 -2.696
751 HA ILE 101 HA ILE 101 -3.244 -5.514 -4.547
752 HB ILE 101 HB ILE 101 -0.264 -5.447 -4.636
753 1HG1 ILE 101 2HG1 ILE 101 -2.512 -5.522 -6.731
754 2HG1 ILE 101 1HG1 ILE 101 -1.740 -4.087 -6.097
755 1HG2 ILE 101 3HG2 ILE 101 -0.480 -7.996 -4.737
756 2HG2 ILE 101 2HG2 ILE 101 -1.548 -7.822 -6.101
757 3HG2 ILE 101 1HG2 ILE 101 0.129 -7.331 -6.228
758 1HD1 ILE 101 1HD1 ILE 101 -0.333 -6.203 -7.823
759 2HD1 ILE 101 3HD1 ILE 101 -0.866 -4.661 -8.403
760 3HD1 ILE 101 2HD1 ILE 101 0.427 -4.760 -7.221
761 H THR 102 H THR 102 -4.438 -7.186 -4.566
762 HA THR 102 HA THR 102 -3.676 -9.648 -3.010
763 HB THR 102 HB THR 102 -6.521 -8.733 -3.649
764 HG1 THR 102 HG1 THR 102 -4.962 -7.451 -2.153
765 1HG2 THR 102 3HG2 THR 102 -5.285 -10.555 -1.514
766 2HG2 THR 102 2HG2 THR 102 -6.995 -10.241 -1.751
767 3HG2 THR 102 1HG2 THR 102 -6.099 -11.175 -2.935
768 H VAL 103 H VAL 103 -2.597 -10.656 -4.757
769 HA VAL 103 HA VAL 103 -3.950 -11.132 -7.301
770 HB VAL 103 HB VAL 103 -1.404 -12.258 -5.996
771 1HG1 VAL 103 2HG1 VAL 103 -2.528 -12.881 -8.783
772 2HG1 VAL 103 1HG1 VAL 103 -0.969 -13.393 -8.175
773 3HG1 VAL 103 3HG1 VAL 103 -2.423 -14.049 -7.476
774 1HG2 VAL 103 2HG2 VAL 103 -1.304 -10.000 -6.924
775 2HG2 VAL 103 1HG2 VAL 103 -0.307 -11.103 -7.853
776 3HG2 VAL 103 3HG2 VAL 103 -1.859 -10.622 -8.484
777 H ALA 104 H ALA 104 -5.696 -12.167 -7.147
778 HA ALA 104 HA ALA 104 -7.193 -13.659 -5.605
779 1HB ALA 104 3HB ALA 104 -6.330 -14.646 -8.369
780 2HB ALA 104 2HB ALA 104 -7.800 -15.147 -7.560
781 3HB ALA 104 1HB ALA 104 -7.593 -13.467 -8.046
782 H GLY 105 HN GLY 105 -4.987 -15.733 -7.314
783 1HA GLY 105 2HA GLY 105 -3.370 -17.114 -6.074
784 2HA GLY 105 1HA GLY 105 -4.692 -17.570 -4.987
No H/Q in entry = 784
Start of MODEL 8
1 1H GLU 1 2H GLU 1 -5.264 -5.327 -14.853
2 2H GLU 1 1H GLU 1 -5.538 -6.399 -16.129
3 3H GLU 1 3H GLU 1 -4.614 -6.889 -14.822
4 HA GLU 1 HA GLU 1 -2.769 -6.091 -15.719
5 1HB GLU 1 2HB GLU 1 -4.018 -6.816 -17.806
6 2HB GLU 1 1HB GLU 1 -4.750 -5.226 -17.944
7 1HG GLU 1 2HG GLU 1 -2.560 -5.921 -19.384
8 2HG GLU 1 1HG GLU 1 -2.798 -4.280 -18.861
9 H THR 2 H THR 2 -1.845 -3.610 -16.757
10 HA THR 2 HA THR 2 -1.744 -1.898 -14.709
11 HB THR 2 HB THR 2 -2.091 -1.138 -17.773
12 HG1 THR 2 HG1 THR 2 -0.315 -2.534 -17.538
13 1HG2 THR 2 3HG2 THR 2 -0.293 0.158 -15.650
14 2HG2 THR 2 2HG2 THR 2 -0.538 0.692 -17.302
15 3HG2 THR 2 1HG2 THR 2 -1.822 0.891 -16.121
16 H TYR 3 H TYR 3 -3.270 -2.072 -13.492
17 HA TYR 3 HA TYR 3 -5.732 -0.499 -13.926
18 1HB TYR 3 2HB TYR 3 -4.652 -1.572 -11.252
19 2HB TYR 3 1HB TYR 3 -6.295 -1.066 -11.566
20 HD1 TYR 3 HD2 TYR 3 -7.790 -2.485 -12.966
21 HD2 TYR 3 HD1 TYR 3 -3.857 -3.734 -11.941
22 HE1 TYR 3 HE2 TYR 3 -8.333 -4.817 -13.618
23 HE2 TYR 3 HE1 TYR 3 -4.428 -6.029 -12.583
24 HH TYR 3 HH TYR 3 -6.038 -7.426 -13.185
25 H THR 4 H THR 4 -5.895 1.634 -13.619
26 HA THR 4 HA THR 4 -3.726 3.324 -12.921
27 HB THR 4 HB THR 4 -5.659 5.135 -13.007
28 HG1 THR 4 HG1 THR 4 -7.313 3.692 -14.295
29 1HG2 THR 4 2HG2 THR 4 -5.458 3.119 -15.306
30 2HG2 THR 4 1HG2 THR 4 -5.951 4.808 -15.426
31 3HG2 THR 4 3HG2 THR 4 -4.291 4.398 -15.055
32 H VAL 5 H VAL 5 -3.218 2.415 -10.688
33 HA VAL 5 HA VAL 5 -4.907 3.430 -8.494
34 HB VAL 5 HB VAL 5 -2.071 2.260 -8.406
35 1HG1 VAL 5 1HG1 VAL 5 -4.213 2.525 -6.220
36 2HG1 VAL 5 3HG1 VAL 5 -2.668 1.733 -6.022
37 3HG1 VAL 5 2HG1 VAL 5 -2.733 3.457 -6.280
38 1HG2 VAL 5 2HG2 VAL 5 -4.779 0.891 -7.991
39 2HG2 VAL 5 1HG2 VAL 5 -3.733 0.667 -9.386
40 3HG2 VAL 5 3HG2 VAL 5 -3.204 0.134 -7.803
41 H LYS 6 H LYS 6 -4.409 4.976 -6.987
42 HA LYS 6 HA LYS 6 -2.451 7.061 -7.872
43 1HB LYS 6 2HB LYS 6 -5.361 7.152 -7.517
44 2HB LYS 6 1HB LYS 6 -4.635 8.238 -6.378
45 1HG LYS 6 2HG LYS 6 -5.201 9.351 -8.594
46 2HG LYS 6 1HG LYS 6 -3.555 9.545 -8.050
47 1HD LYS 6 2HD LYS 6 -3.674 9.005 -10.499
48 2HD LYS 6 1HD LYS 6 -2.726 7.847 -9.601
49 1HE LYS 6 2HE LYS 6 -4.953 6.433 -9.547
50 2HE LYS 6 1HE LYS 6 -5.428 7.490 -10.859
51 1HZ LYS 6 1HZ LYS 6 -2.706 6.685 -11.349
52 2HZ LYS 6 3HZ LYS 6 -3.457 5.379 -10.920
53 3HZ LYS 6 2HZ LYS 6 -4.004 6.224 -12.235
54 H LEU 7 H LEU 7 -1.499 8.360 -6.629
55 HA LEU 7 HA LEU 7 -1.047 7.484 -3.801
56 1HB LEU 7 2HB LEU 7 0.930 9.191 -5.373
57 2HB LEU 7 1HB LEU 7 1.245 8.037 -4.116
58 HG LEU 7 HG LEU 7 0.232 7.075 -6.826
59 1HD1 LEU 7 1HD1 LEU 7 3.096 7.467 -5.888
60 2HD1 LEU 7 3HD1 LEU 7 2.588 6.686 -7.368
61 3HD1 LEU 7 2HD1 LEU 7 2.294 8.390 -7.146
62 1HD2 LEU 7 2HD2 LEU 7 0.131 5.558 -4.833
63 2HD2 LEU 7 1HD2 LEU 7 1.278 4.998 -6.025
64 3HD2 LEU 7 3HD2 LEU 7 1.850 5.803 -4.578
65 H GLY 8 H GLY 8 -3.066 8.783 -3.679
66 1HA GLY 8 2HA GLY 8 -3.885 10.677 -2.387
67 2HA GLY 8 1HA GLY 8 -2.436 11.577 -2.814
68 H SER 9 H SER 9 -4.738 12.773 -2.852
69 HA SER 9 HA SER 9 -5.426 13.151 -5.759
70 1HB SER 9 2HB SER 9 -7.683 13.952 -4.957
71 2HB SER 9 1HB SER 9 -7.342 12.295 -4.423
72 HG SER 9 HG SER 9 -7.803 14.394 -2.842
73 H ASP 10 H ASP 10 -5.806 15.132 -2.898
74 HA ASP 10 HA ASP 10 -4.439 17.392 -4.310
75 1HB ASP 10 2HB ASP 10 -7.000 17.330 -4.368
76 2HB ASP 10 1HB ASP 10 -6.994 17.650 -2.650
77 H LYS 11 H LYS 11 -4.864 19.300 -2.246
78 HA LYS 11 HA LYS 11 -2.480 19.222 -0.763
79 1HB LYS 11 2HB LYS 11 -5.004 20.674 0.174
80 2HB LYS 11 1HB LYS 11 -3.376 21.100 0.605
81 1HG LYS 11 2HG LYS 11 -3.431 22.585 -1.089
82 2HG LYS 11 1HG LYS 11 -3.217 21.194 -2.148
83 1HD LYS 11 2HD LYS 11 -5.821 20.894 -1.975
84 2HD LYS 11 1HD LYS 11 -5.846 22.502 -1.294
85 1HE LYS 11 2HE LYS 11 -5.026 23.492 -3.275
86 2HE LYS 11 1HE LYS 11 -4.463 21.940 -3.907
87 1HZ LYS 11 1HZ LYS 11 -7.174 21.650 -3.249
88 2HZ LYS 11 3HZ LYS 11 -7.108 22.978 -4.307
89 3HZ LYS 11 2HZ LYS 11 -6.479 21.404 -4.636
90 H GLY 12 H GLY 12 -2.588 16.951 0.088
91 1HA GLY 12 2HA GLY 12 -2.092 16.192 2.489
92 2HA GLY 12 1HA GLY 12 -3.553 17.026 2.981
93 H LEU 13 H LEU 13 -4.765 15.950 0.478
94 HA LEU 13 HA LEU 13 -5.985 13.572 1.675
95 1HB LEU 13 2HB LEU 13 -6.215 14.920 -1.046
96 2HB LEU 13 1HB LEU 13 -7.179 13.533 -0.611
97 HG LEU 13 HG LEU 13 -8.201 14.880 1.270
98 1HD1 LEU 13 1HD1 LEU 13 -6.682 17.186 -0.051
99 2HD1 LEU 13 3HD1 LEU 13 -7.908 17.352 1.185
100 3HD1 LEU 13 2HD1 LEU 13 -6.393 16.600 1.582
101 1HD2 LEU 13 1HD2 LEU 13 -9.257 14.729 -0.995
102 2HD2 LEU 13 3HD2 LEU 13 -9.555 16.293 -0.262
103 3HD2 LEU 13 2HD2 LEU 13 -8.337 16.139 -1.510
104 H LEU 14 H LEU 14 -3.822 12.559 1.886
105 HA LEU 14 HA LEU 14 -2.693 11.369 -0.577
106 1HB LEU 14 2HB LEU 14 -1.796 11.336 2.322
107 2HB LEU 14 1HB LEU 14 -0.876 10.634 1.028
108 HG LEU 14 HG LEU 14 -1.638 13.589 1.220
109 1HD1 LEU 14 3HD1 LEU 14 1.035 12.139 1.510
110 2HD1 LEU 14 2HD1 LEU 14 0.812 13.877 1.566
111 3HD1 LEU 14 1HD1 LEU 14 0.129 12.867 2.824
112 1HD2 LEU 14 3HD2 LEU 14 0.154 12.089 -0.753
113 2HD2 LEU 14 2HD2 LEU 14 -1.408 12.789 -1.162
114 3HD2 LEU 14 1HD2 LEU 14 -0.090 13.819 -0.704
115 H VAL 15 H VAL 15 -4.817 10.148 -0.762
116 HA VAL 15 HA VAL 15 -4.747 7.578 0.769
117 HB VAL 15 HB VAL 15 -6.950 7.108 -0.361
118 1HG1 VAL 15 3HG1 VAL 15 -6.917 8.446 1.743
119 2HG1 VAL 15 2HG1 VAL 15 -6.771 9.922 0.811
120 3HG1 VAL 15 1HG1 VAL 15 -8.224 8.949 0.690
121 1HG2 VAL 15 3HG2 VAL 15 -6.493 8.314 -2.524
122 2HG2 VAL 15 2HG2 VAL 15 -7.988 8.835 -1.780
123 3HG2 VAL 15 1HG2 VAL 15 -6.565 9.852 -1.677
124 H PHE 16 H PHE 16 -5.026 5.567 -0.395
125 HA PHE 16 HA PHE 16 -3.338 5.418 -2.879
126 1HB PHE 16 2HB PHE 16 -3.284 4.067 -0.271
127 2HB PHE 16 1HB PHE 16 -3.345 2.903 -1.560
128 HD1 PHE 16 HD1 PHE 16 -1.597 6.244 -1.506
129 HD2 PHE 16 HD2 PHE 16 -1.280 2.034 -1.644
130 HE1 PHE 16 HE1 PHE 16 0.839 6.426 -1.829
131 HE2 PHE 16 HE2 PHE 16 1.143 2.189 -1.946
132 HZ PHE 16 HZ PHE 16 2.209 4.377 -2.039
133 H GLU 17 H GLU 17 -6.164 5.773 -3.103
134 HA GLU 17 HA GLU 17 -7.477 3.322 -3.613
135 1HB GLU 17 2HB GLU 17 -8.030 6.159 -4.370
136 2HB GLU 17 1HB GLU 17 -9.018 4.908 -5.083
137 1HG GLU 17 2HG GLU 17 -8.706 5.381 -2.053
138 2HG GLU 17 1HG GLU 17 -10.128 5.713 -3.011
139 HA PRO 18 HA PRO 18 -9.306 2.433 -5.048
140 1HB PRO 18 2HB PRO 18 -9.117 -0.132 -6.102
141 2HB PRO 18 1HB PRO 18 -9.897 1.230 -6.912
142 1HG PRO 18 2HG PRO 18 -6.957 0.351 -7.167
143 2HG PRO 18 1HG PRO 18 -8.128 0.529 -8.483
144 1HD PRO 18 2HD PRO 18 -6.530 2.580 -8.000
145 2HD PRO 18 1HD PRO 18 -8.257 2.964 -8.112
146 H ALA 19 H ALA 19 -6.140 1.755 -4.309
147 HA ALA 19 HA ALA 19 -5.024 0.836 -2.513
148 1HB ALA 19 2HB ALA 19 -6.632 2.222 -1.295
149 2HB ALA 19 1HB ALA 19 -7.808 0.935 -1.285
150 3HB ALA 19 3HB ALA 19 -6.314 0.758 -0.382
151 H LYS 20 H LYS 20 -7.921 -1.056 -2.974
152 HA LYS 20 HA LYS 20 -6.440 -3.565 -2.286
153 1HB LYS 20 2HB LYS 20 -8.795 -4.513 -1.943
154 2HB LYS 20 1HB LYS 20 -8.410 -3.233 -0.828
155 1HG LYS 20 2HG LYS 20 -9.901 -2.563 -3.389
156 2HG LYS 20 1HG LYS 20 -10.774 -3.298 -2.070
157 1HD LYS 20 2HD LYS 20 -10.356 -1.428 -0.585
158 2HD LYS 20 1HD LYS 20 -9.066 -0.793 -1.562
159 1HE LYS 20 2HE LYS 20 -11.004 -0.583 -3.410
160 2HE LYS 20 1HE LYS 20 -12.064 -0.647 -2.011
161 1HZ LYS 20 3HZ LYS 20 -9.877 1.187 -1.483
162 2HZ LYS 20 2HZ LYS 20 -10.416 1.504 -2.910
163 3HZ LYS 20 1HZ LYS 20 -11.471 1.664 -1.710
164 H LEU 21 H LEU 21 -5.527 -4.166 -4.124
165 HA LEU 21 HA LEU 21 -7.155 -4.246 -6.649
166 1HB LEU 21 2HB LEU 21 -4.973 -2.895 -6.452
167 2HB LEU 21 1HB LEU 21 -4.171 -4.432 -6.446
168 HG LEU 21 HG LEU 21 -5.666 -3.089 -8.716
169 1HD1 LEU 21 3HD1 LEU 21 -3.089 -4.661 -8.475
170 2HD1 LEU 21 2HD1 LEU 21 -3.670 -3.964 -9.956
171 3HD1 LEU 21 1HD1 LEU 21 -3.242 -2.933 -8.600
172 1HD2 LEU 21 1HD2 LEU 21 -5.317 -6.129 -8.676
173 2HD2 LEU 21 3HD2 LEU 21 -6.843 -5.299 -8.726
174 3HD2 LEU 21 2HD2 LEU 21 -5.754 -5.197 -10.069
175 H THR 22 H THR 22 -8.102 -6.264 -6.756
176 HA THR 22 HA THR 22 -6.515 -8.674 -6.196
177 HB THR 22 HB THR 22 -9.315 -8.492 -7.462
178 HG1 THR 22 HG1 THR 22 -9.215 -9.290 -4.939
179 1HG2 THR 22 3HG2 THR 22 -7.925 -10.668 -5.777
180 2HG2 THR 22 2HG2 THR 22 -9.530 -10.766 -6.501
181 3HG2 THR 22 1HG2 THR 22 -8.102 -10.788 -7.518
182 H ILE 23 H ILE 23 -4.822 -8.148 -7.770
183 HA ILE 23 HA ILE 23 -5.407 -8.392 -10.608
184 HB ILE 23 HB ILE 23 -2.928 -8.641 -10.960
185 1HG1 ILE 23 2HG1 ILE 23 -2.264 -8.162 -8.120
186 2HG1 ILE 23 1HG1 ILE 23 -2.690 -9.764 -8.585
187 1HG2 ILE 23 2HG2 ILE 23 -3.893 -6.342 -10.693
188 2HG2 ILE 23 1HG2 ILE 23 -3.439 -6.464 -9.002
189 3HG2 ILE 23 3HG2 ILE 23 -2.204 -6.464 -10.249
190 1HD1 ILE 23 2HD1 ILE 23 -0.516 -8.120 -9.964
191 2HD1 ILE 23 1HD1 ILE 23 -0.215 -9.424 -8.840
192 3HD1 ILE 23 3HD1 ILE 23 -0.977 -9.768 -10.365
193 H LYS 24 H LYS 24 -3.919 -10.048 -11.866
194 HA LYS 24 HA LYS 24 -4.540 -12.616 -10.580
195 1HB LYS 24 2HB LYS 24 -4.683 -13.554 -12.957
196 2HB LYS 24 1HB LYS 24 -5.760 -12.209 -12.704
197 1HG LYS 24 2HG LYS 24 -4.781 -11.942 -14.887
198 2HG LYS 24 1HG LYS 24 -4.158 -10.685 -13.858
199 1HD LYS 24 2HD LYS 24 -1.986 -11.717 -13.698
200 2HD LYS 24 1HD LYS 24 -2.572 -13.287 -14.177
201 1HE LYS 24 2HE LYS 24 -1.341 -12.457 -16.045
202 2HE LYS 24 1HE LYS 24 -3.010 -12.122 -16.504
203 1HZ LYS 24 1HZ LYS 24 -2.004 -10.023 -14.874
204 2HZ LYS 24 3HZ LYS 24 -0.925 -10.249 -16.107
205 3HZ LYS 24 2HZ LYS 24 -2.533 -9.820 -16.404
206 HA PRO 25 HA PRO 25 -0.202 -14.090 -10.419
207 1HB PRO 25 2HB PRO 25 -0.405 -16.130 -12.424
208 2HB PRO 25 1HB PRO 25 -0.565 -16.316 -10.679
209 1HG PRO 25 2HG PRO 25 -2.780 -15.802 -12.726
210 2HG PRO 25 1HG PRO 25 -2.781 -16.947 -11.381
211 1HD PRO 25 2HD PRO 25 -4.082 -14.686 -10.994
212 2HD PRO 25 1HD PRO 25 -2.913 -15.136 -9.729
213 H GLY 26 H GLY 26 0.282 -11.881 -11.360
214 1HA GLY 26 2HA GLY 26 2.209 -11.060 -12.692
215 2HA GLY 26 1HA GLY 26 1.871 -12.265 -13.912
216 H ASP 27 H ASP 27 0.229 -9.603 -12.342
217 HA ASP 27 HA ASP 27 -0.685 -8.518 -14.989
218 1HB ASP 27 2HB ASP 27 -2.213 -9.647 -12.843
219 2HB ASP 27 1HB ASP 27 -2.126 -7.947 -12.494
220 H THR 28 H THR 28 -0.853 -6.221 -15.126
221 HA THR 28 HA THR 28 1.156 -4.906 -13.446
222 HB THR 28 HB THR 28 -0.060 -3.717 -15.925
223 HG1 THR 28 HG1 THR 28 0.948 -5.357 -16.752
224 1HG2 THR 28 2HG2 THR 28 1.559 -2.262 -14.504
225 2HG2 THR 28 1HG2 THR 28 2.736 -3.560 -14.740
226 3HG2 THR 28 3HG2 THR 28 2.112 -2.676 -16.117
227 H VAL 29 H VAL 29 1.013 -3.076 -12.540
228 HA VAL 29 HA VAL 29 -1.569 -1.807 -11.873
229 HB VAL 29 HB VAL 29 -0.566 -3.163 -10.185
230 1HG1 VAL 29 2HG1 VAL 29 1.801 -2.605 -10.389
231 2HG1 VAL 29 1HG1 VAL 29 1.475 -0.938 -9.941
232 3HG1 VAL 29 3HG1 VAL 29 1.217 -2.228 -8.784
233 1HG2 VAL 29 2HG2 VAL 29 -2.227 -1.342 -9.683
234 2HG2 VAL 29 1HG2 VAL 29 -1.067 -1.499 -8.376
235 3HG2 VAL 29 3HG2 VAL 29 -0.915 -0.188 -9.524
236 H GLU 30 H GLU 30 -1.621 0.596 -11.894
237 HA GLU 30 HA GLU 30 0.796 2.034 -12.736
238 1HB GLU 30 2HB GLU 30 -0.885 2.019 -14.395
239 2HB GLU 30 1HB GLU 30 -2.139 2.358 -13.258
240 1HG GLU 30 2HG GLU 30 0.086 4.419 -13.762
241 2HG GLU 30 1HG GLU 30 -1.228 4.299 -14.895
242 H PHE 31 H PHE 31 1.601 3.335 -11.285
243 HA PHE 31 HA PHE 31 -0.012 4.264 -8.904
244 1HB PHE 31 2HB PHE 31 2.931 3.684 -9.180
245 2HB PHE 31 1HB PHE 31 2.280 4.450 -7.764
246 HD1 PHE 31 HD2 PHE 31 -0.108 2.933 -7.081
247 HD2 PHE 31 HD1 PHE 31 3.561 1.541 -8.701
248 HE1 PHE 31 HE2 PHE 31 -0.503 0.726 -6.077
249 HE2 PHE 31 HE1 PHE 31 3.176 -0.666 -7.702
250 HZ PHE 31 HZ PHE 31 1.139 -1.082 -6.381
251 H LEU 32 H LEU 32 -0.719 6.214 -10.084
252 HA LEU 32 HA LEU 32 1.343 8.232 -10.657
253 1HB LEU 32 2HB LEU 32 -0.685 7.690 -12.207
254 2HB LEU 32 1HB LEU 32 -1.654 8.563 -11.088
255 HG LEU 32 HG LEU 32 0.710 9.892 -12.457
256 1HD1 LEU 32 1HD1 LEU 32 -0.972 9.049 -14.108
257 2HD1 LEU 32 3HD1 LEU 32 -2.252 9.856 -13.219
258 3HD1 LEU 32 2HD1 LEU 32 -0.995 10.793 -14.004
259 1HD2 LEU 32 1HD2 LEU 32 -1.807 10.913 -11.058
260 2HD2 LEU 32 3HD2 LEU 32 -0.153 11.076 -10.471
261 3HD2 LEU 32 2HD2 LEU 32 -0.659 11.932 -11.877
262 H ASN 33 H ASN 33 1.750 10.038 -9.534
263 HA ASN 33 HA ASN 33 0.667 10.447 -6.828
264 1HB ASN 33 2HB ASN 33 2.552 11.935 -6.634
265 2HB ASN 33 1HB ASN 33 3.113 10.555 -7.603
266 1HD2 ASN 33 2HD2 ASN 33 3.698 14.044 -9.014
267 2HD2 ASN 33 1HD2 ASN 33 3.515 13.667 -7.364
268 H ASN 34 H ASN 34 -1.215 11.000 -8.819
269 HA ASN 34 HA ASN 34 -2.411 12.853 -9.900
270 1HB ASN 34 2HB ASN 34 -3.534 11.634 -7.871
271 2HB ASN 34 1HB ASN 34 -3.232 13.101 -6.969
272 1HD2 ASN 34 2HD2 ASN 34 -5.808 14.783 -8.649
273 2HD2 ASN 34 1HD2 ASN 34 -4.643 14.896 -7.415
274 H LYS 35 H LYS 35 -1.851 14.440 -6.753
275 HA LYS 35 HA LYS 35 -0.653 16.710 -8.249
276 1HB LYS 35 2HB LYS 35 -3.267 16.673 -7.998
277 2HB LYS 35 1HB LYS 35 -2.997 17.101 -6.335
278 1HG LYS 35 2HG LYS 35 -1.725 18.728 -8.543
279 2HG LYS 35 1HG LYS 35 -3.434 18.920 -8.206
280 1HD LYS 35 2HD LYS 35 -3.034 20.219 -6.357
281 2HD LYS 35 1HD LYS 35 -2.085 18.970 -5.637
282 1HE LYS 35 2HE LYS 35 -0.739 21.003 -5.841
283 2HE LYS 35 1HE LYS 35 -0.058 19.739 -6.856
284 1HZ LYS 35 2HZ LYS 35 -2.096 20.996 -8.306
285 2HZ LYS 35 1HZ LYS 35 -1.099 22.246 -7.725
286 3HZ LYS 35 3HZ LYS 35 -0.452 21.000 -8.679
287 H VAL 36 H VAL 36 0.331 14.849 -6.242
288 HA VAL 36 HA VAL 36 1.682 16.831 -4.493
289 HB VAL 36 HB VAL 36 0.292 14.361 -3.378
290 1HG1 VAL 36 1HG1 VAL 36 1.934 16.558 -2.008
291 2HG1 VAL 36 3HG1 VAL 36 1.056 15.327 -1.156
292 3HG1 VAL 36 2HG1 VAL 36 2.405 14.877 -2.161
293 1HG2 VAL 36 1HG2 VAL 36 -0.236 17.341 -2.927
294 2HG2 VAL 36 3HG2 VAL 36 -1.278 16.263 -3.832
295 3HG2 VAL 36 2HG2 VAL 36 -1.072 16.028 -2.118
296 HA PRO 37 HA PRO 37 5.036 13.766 -4.558
297 1HB PRO 37 2HB PRO 37 7.107 15.400 -4.276
298 2HB PRO 37 1HB PRO 37 6.054 15.591 -5.691
299 1HG PRO 37 2HG PRO 37 5.916 17.172 -3.055
300 2HG PRO 37 1HG PRO 37 5.952 17.815 -4.696
301 1HD PRO 37 2HD PRO 37 3.551 17.251 -3.234
302 2HD PRO 37 1HD PRO 37 3.640 17.445 -4.999
303 HA PRO 38 HA PRO 38 6.766 12.708 -4.121
304 1HB PRO 38 2HB PRO 38 9.193 12.233 -3.246
305 2HB PRO 38 1HB PRO 38 8.724 13.920 -3.483
306 1HG PRO 38 2HG PRO 38 8.864 12.379 -0.850
307 2HG PRO 38 1HG PRO 38 9.349 14.044 -1.168
308 1HD PRO 38 2HD PRO 38 6.776 13.129 -0.181
309 2HD PRO 38 1HD PRO 38 7.176 14.800 -0.630
310 H HIS 39 HN HIP 39 6.342 10.595 -4.483
311 HA HIS 39 HA HIP 39 5.798 8.819 -2.107
312 1HB HIS 39 2HB HIP 39 4.885 8.351 -4.962
313 2HB HIS 39 1HB HIP 39 4.249 7.585 -3.534
314 HD2 HIS 39 HD2 HIP 39 4.028 10.811 -5.596
315 HE1 HIS 39 HE1 HIP 39 1.127 11.147 -2.633
316 HE2 HIS 39 HE2 HIP 39 2.072 12.108 -4.680
317 H ASN 40 H ASN 40 7.497 7.464 -1.576
318 HA ASN 40 HA ASN 40 9.041 6.071 -3.745
319 1HB ASN 40 2HB ASN 40 10.018 7.591 -1.590
320 2HB ASN 40 1HB ASN 40 9.954 5.996 -0.858
321 1HD2 ASN 40 2HD2 ASN 40 13.020 5.340 -2.385
322 2HD2 ASN 40 1HD2 ASN 40 12.101 5.167 -0.945
323 H VAL 41 H VAL 41 7.819 4.084 -4.018
324 HA VAL 41 HA VAL 41 6.512 3.023 -1.545
325 HB VAL 41 HB VAL 41 5.179 1.591 -2.930
326 1HG1 VAL 41 2HG1 VAL 41 4.350 3.839 -2.334
327 2HG1 VAL 41 1HG1 VAL 41 5.137 4.544 -3.738
328 3HG1 VAL 41 3HG1 VAL 41 3.792 3.437 -3.947
329 1HG2 VAL 41 1HG2 VAL 41 6.672 1.380 -4.972
330 2HG2 VAL 41 3HG2 VAL 41 5.102 2.007 -5.436
331 3HG2 VAL 41 2HG2 VAL 41 6.471 3.089 -5.301
332 H VAL 42 H VAL 42 7.115 1.555 -0.497
333 HA VAL 42 HA VAL 42 8.987 -0.573 -1.478
334 HB VAL 42 HB VAL 42 8.585 0.534 1.291
335 1HG1 VAL 42 2HG1 VAL 42 10.776 -1.176 0.060
336 2HG1 VAL 42 1HG1 VAL 42 10.747 -0.557 1.716
337 3HG1 VAL 42 3HG1 VAL 42 9.565 -1.746 1.201
338 1HG2 VAL 42 2HG2 VAL 42 10.708 1.183 -0.814
339 2HG2 VAL 42 1HG2 VAL 42 9.484 2.291 -0.242
340 3HG2 VAL 42 3HG2 VAL 42 10.730 1.762 0.857
341 H PHE 43 H PHE 43 8.574 -2.768 -0.701
342 HA PHE 43 HA PHE 43 5.710 -3.357 -0.215
343 1HB PHE 43 2HB PHE 43 7.948 -4.777 -1.492
344 2HB PHE 43 1HB PHE 43 6.958 -5.796 -0.478
345 HD1 PHE 43 HD1 PHE 43 5.866 -2.841 -2.545
346 HD2 PHE 43 HD2 PHE 43 5.742 -7.044 -1.965
347 HE1 PHE 43 HE1 PHE 43 4.215 -3.031 -4.340
348 HE2 PHE 43 HE2 PHE 43 4.084 -7.239 -3.750
349 HZ PHE 43 HZ PHE 43 3.306 -5.227 -4.943
350 H ASP 44 H ASP 44 5.078 -4.936 1.424
351 HA ASP 44 HA ASP 44 6.741 -4.640 3.881
352 1HB ASP 44 2HB ASP 44 4.691 -4.562 4.987
353 2HB ASP 44 1HB ASP 44 4.161 -4.085 3.387
354 H ALA 45 H ALA 45 6.655 -6.233 5.516
355 HA ALA 45 HA ALA 45 7.309 -8.962 4.608
356 1HB ALA 45 3HB ALA 45 9.213 -7.688 5.295
357 2HB ALA 45 2HB ALA 45 8.480 -7.334 6.850
358 3HB ALA 45 1HB ALA 45 8.945 -8.981 6.449
359 H ALA 46 H ALA 46 4.762 -7.757 5.944
360 HA ALA 46 HA ALA 46 4.278 -9.760 8.119
361 1HB ALA 46 3HB ALA 46 3.092 -7.019 7.558
362 2HB ALA 46 2HB ALA 46 2.605 -8.059 8.894
363 3HB ALA 46 1HB ALA 46 4.240 -7.420 8.815
364 H LEU 47 H LEU 47 2.671 -8.093 5.496
365 HA LEU 47 HA LEU 47 0.509 -10.111 5.107
366 1HB LEU 47 2HB LEU 47 1.234 -7.502 3.779
367 2HB LEU 47 1HB LEU 47 -0.203 -8.384 3.380
368 HG LEU 47 HG LEU 47 -0.891 -6.502 4.775
369 1HD1 LEU 47 1HD1 LEU 47 -0.683 -8.904 6.620
370 2HD1 LEU 47 3HD1 LEU 47 -1.733 -7.526 6.876
371 3HD1 LEU 47 2HD1 LEU 47 -2.003 -8.597 5.524
372 1HD2 LEU 47 2HD2 LEU 47 1.353 -5.956 5.670
373 2HD2 LEU 47 1HD2 LEU 47 0.122 -5.955 6.923
374 3HD2 LEU 47 3HD2 LEU 47 1.209 -7.310 6.776
375 H ASN 48 H ASN 48 3.170 -10.762 4.787
376 HA ASN 48 HA ASN 48 3.721 -11.186 1.924
377 1HB ASN 48 2HB ASN 48 5.161 -9.889 3.491
378 2HB ASN 48 1HB ASN 48 5.441 -11.346 4.402
379 1HD2 ASN 48 2HD2 ASN 48 7.734 -10.549 1.428
380 2HD2 ASN 48 1HD2 ASN 48 6.730 -9.402 2.218
381 HA PRO 49 HA PRO 49 1.806 -15.320 3.014
382 1HB PRO 49 2HB PRO 49 2.372 -16.358 0.444
383 2HB PRO 49 1HB PRO 49 0.903 -15.505 0.895
384 1HG PRO 49 2HG PRO 49 3.469 -14.228 -0.206
385 2HG PRO 49 1HG PRO 49 1.843 -14.087 -0.863
386 1HD PRO 49 2HD PRO 49 2.579 -12.129 0.724
387 2HD PRO 49 1HD PRO 49 1.094 -12.939 1.253
388 H ALA 50 H ALA 50 4.884 -15.065 1.403
389 HA ALA 50 HA ALA 50 5.946 -17.417 2.966
390 1HB ALA 50 1HB ALA 50 6.050 -17.588 0.434
391 2HB ALA 50 3HB ALA 50 6.980 -16.087 0.400
392 3HB ALA 50 2HB ALA 50 7.661 -17.517 1.144
393 H LYS 51 H LYS 51 5.483 -15.037 4.149
394 HA LYS 51 HA LYS 51 6.607 -12.927 4.636
395 1HB LYS 51 2HB LYS 51 5.448 -14.719 6.125
396 2HB LYS 51 1HB LYS 51 7.047 -14.994 6.767
397 1HG LYS 51 2HG LYS 51 6.807 -12.155 6.670
398 2HG LYS 51 1HG LYS 51 5.166 -12.659 6.975
399 1HD LYS 51 2HD LYS 51 6.113 -12.429 9.076
400 2HD LYS 51 1HD LYS 51 6.073 -14.173 8.755
401 1HE LYS 51 2HE LYS 51 8.431 -14.215 8.124
402 2HE LYS 51 1HE LYS 51 8.537 -12.462 8.132
403 1HZ LYS 51 1HZ LYS 51 7.490 -13.310 10.614
404 2HZ LYS 51 3HZ LYS 51 8.883 -14.239 10.311
405 3HZ LYS 51 2HZ LYS 51 8.974 -12.542 10.333
406 H SER 52 H SER 52 8.346 -13.179 3.108
407 HA SER 52 HA SER 52 11.049 -13.588 4.291
408 1HB SER 52 2HB SER 52 10.687 -14.686 2.201
409 2HB SER 52 1HB SER 52 10.174 -13.190 1.416
410 HG SER 52 HG SER 52 12.318 -13.261 0.973
411 H ALA 53 H ALA 53 12.766 -12.245 3.706
412 HA ALA 53 HA ALA 53 12.144 -9.324 4.067
413 1HB ALA 53 2HB ALA 53 14.722 -10.972 4.568
414 2HB ALA 53 1HB ALA 53 14.540 -9.277 4.984
415 3HB ALA 53 3HB ALA 53 13.582 -10.490 5.810
416 H ASP 54 H ASP 54 12.976 -11.378 1.613
417 HA ASP 54 HA ASP 54 14.562 -9.373 0.193
418 1HB ASP 54 2HB ASP 54 15.144 -11.341 -1.066
419 2HB ASP 54 1HB ASP 54 14.400 -12.202 0.251
420 H LEU 55 H LEU 55 11.515 -11.112 -0.682
421 HA LEU 55 HA LEU 55 10.104 -9.604 -2.301
422 1HB LEU 55 2HB LEU 55 9.315 -11.051 0.192
423 2HB LEU 55 1HB LEU 55 8.087 -9.942 -0.388
424 HG LEU 55 HG LEU 55 7.720 -12.229 -1.234
425 1HD1 LEU 55 2HD1 LEU 55 7.058 -10.271 -2.680
426 2HD1 LEU 55 1HD1 LEU 55 8.629 -10.345 -3.459
427 3HD1 LEU 55 3HD1 LEU 55 7.515 -11.673 -3.629
428 1HD2 LEU 55 2HD2 LEU 55 10.423 -11.870 -2.611
429 2HD2 LEU 55 1HD2 LEU 55 10.073 -12.974 -1.309
430 3HD2 LEU 55 3HD2 LEU 55 9.320 -13.199 -2.867
431 H ALA 56 H ALA 56 9.863 -8.714 1.060
432 HA ALA 56 HA ALA 56 8.450 -6.401 1.159
433 1HB ALA 56 3HB ALA 56 11.196 -6.895 2.462
434 2HB ALA 56 2HB ALA 56 10.014 -5.699 3.016
435 3HB ALA 56 1HB ALA 56 9.640 -7.411 3.083
436 H LYS 57 H LYS 57 11.631 -6.576 -0.179
437 HA LYS 57 HA LYS 57 11.270 -3.819 -1.329
438 1HB LYS 57 2HB LYS 57 13.661 -3.495 -1.241
439 2HB LYS 57 1HB LYS 57 13.046 -3.928 0.330
440 1HG LYS 57 2HG LYS 57 13.804 -6.452 -0.520
441 2HG LYS 57 1HG LYS 57 14.701 -5.549 -1.691
442 1HD LYS 57 2HD LYS 57 16.091 -6.090 0.329
443 2HD LYS 57 1HD LYS 57 15.990 -4.379 -0.012
444 1HE LYS 57 2HE LYS 57 15.665 -4.945 2.421
445 2HE LYS 57 1HE LYS 57 14.336 -4.036 1.730
446 1HZ LYS 57 3HZ LYS 57 13.889 -6.804 1.229
447 2HZ LYS 57 2HZ LYS 57 14.222 -6.699 2.820
448 3HZ LYS 57 1HZ LYS 57 12.952 -5.778 2.165
449 H SER 58 H SER 58 12.783 -6.946 -1.908
450 HA SER 58 HA SER 58 13.615 -6.855 -4.513
451 1HB SER 58 2HB SER 58 12.042 -9.173 -3.299
452 2HB SER 58 1HB SER 58 13.273 -9.268 -4.560
453 HG SER 58 HG SER 58 14.090 -9.665 -2.513
454 H LEU 59 H LEU 59 10.384 -6.827 -3.440
455 HA LEU 59 HA LEU 59 9.284 -7.108 -6.188
456 1HB LEU 59 2HB LEU 59 8.506 -8.251 -3.840
457 2HB LEU 59 1HB LEU 59 7.602 -6.772 -3.695
458 HG LEU 59 HG LEU 59 6.136 -8.429 -4.697
459 1HD1 LEU 59 2HD1 LEU 59 6.001 -6.133 -5.679
460 2HD1 LEU 59 1HD1 LEU 59 7.161 -6.596 -6.900
461 3HD1 LEU 59 3HD1 LEU 59 5.606 -7.370 -6.860
462 1HD2 LEU 59 2HD2 LEU 59 7.917 -9.952 -5.564
463 2HD2 LEU 59 1HD2 LEU 59 6.734 -9.576 -6.805
464 3HD2 LEU 59 3HD2 LEU 59 8.298 -8.792 -6.821
465 H SER 60 H SER 60 9.419 -4.732 -3.458
466 HA SER 60 HA SER 60 7.960 -2.762 -5.097
467 1HB SER 60 2HB SER 60 8.264 -1.353 -3.140
468 2HB SER 60 1HB SER 60 7.803 -2.984 -2.659
469 HG SER 60 HG SER 60 10.443 -3.019 -2.998
470 H HIS 61 H HIS 61 9.328 -0.339 -4.482
471 HA HIS 61 HA HIS 61 11.910 -0.716 -5.958
472 1HB HIS 61 2HB HIS 61 9.873 1.511 -6.476
473 2HB HIS 61 1HB HIS 61 11.304 1.175 -7.438
474 HD1 HIS 61 HD1 HIS 61 10.541 -2.011 -7.407
475 HD2 HIS 61 HD2 HIS 61 8.239 1.084 -8.725
476 HE1 HIS 61 HE1 HIS 61 8.936 -2.976 -9.016
477 H LYS 62 H LYS 62 13.106 1.487 -5.982
478 HA LYS 62 HA LYS 62 12.966 2.653 -3.230
479 1HB LYS 62 2HB LYS 62 15.380 1.737 -4.831
480 2HB LYS 62 1HB LYS 62 15.581 2.894 -3.548
481 1HG LYS 62 2HG LYS 62 14.099 0.275 -2.993
482 2HG LYS 62 1HG LYS 62 15.844 0.297 -3.001
483 1HD LYS 62 2HD LYS 62 15.067 0.626 -0.679
484 2HD LYS 62 1HD LYS 62 15.847 2.093 -1.225
485 1HE LYS 62 2HE LYS 62 13.711 3.215 -1.504
486 2HE LYS 62 1HE LYS 62 12.820 1.722 -1.198
487 1HZ LYS 62 1HZ LYS 62 14.668 2.215 0.979
488 2HZ LYS 62 3HZ LYS 62 13.725 3.572 0.693
489 3HZ LYS 62 2HZ LYS 62 12.992 2.219 1.010
490 H GLN 63 H GLN 63 12.574 3.539 -6.245
491 HA GLN 63 HA GLN 63 13.695 6.258 -5.783
492 1HB GLN 63 2HB GLN 63 14.411 5.107 -7.902
493 2HB GLN 63 1HB GLN 63 12.732 4.856 -8.344
494 1HG GLN 63 2HG GLN 63 12.367 7.349 -8.476
495 2HG GLN 63 1HG GLN 63 14.053 7.625 -8.056
496 1HE2 GLN 63 2HE2 GLN 63 14.851 7.364 -11.438
497 2HE2 GLN 63 1HE2 GLN 63 15.226 8.096 -9.940
498 H LEU 64 H LEU 64 12.266 8.041 -6.094
499 HA LEU 64 HA LEU 64 9.405 7.326 -5.729
500 1HB LEU 64 2HB LEU 64 9.455 9.726 -4.537
501 2HB LEU 64 1HB LEU 64 9.951 8.273 -3.722
502 HG LEU 64 HG LEU 64 12.341 8.773 -4.220
503 1HD1 LEU 64 2HD1 LEU 64 11.206 11.398 -5.282
504 2HD1 LEU 64 1HD1 LEU 64 12.906 11.029 -5.087
505 3HD1 LEU 64 3HD1 LEU 64 11.957 10.171 -6.284
506 1HD2 LEU 64 2HD2 LEU 64 11.316 9.534 -2.119
507 2HD2 LEU 64 1HD2 LEU 64 12.521 10.676 -2.678
508 3HD2 LEU 64 3HD2 LEU 64 10.821 11.036 -2.881
509 H LEU 65 H LEU 65 7.810 8.466 -6.277
510 HA LEU 65 HA LEU 65 7.996 9.928 -8.870
511 1HB LEU 65 2HB LEU 65 5.580 8.788 -7.352
512 2HB LEU 65 1HB LEU 65 5.509 9.520 -8.939
513 HG LEU 65 HG LEU 65 7.087 7.712 -9.785
514 1HD1 LEU 65 1HD1 LEU 65 6.388 6.423 -7.094
515 2HD1 LEU 65 3HD1 LEU 65 7.151 5.606 -8.446
516 3HD1 LEU 65 2HD1 LEU 65 8.008 6.857 -7.611
517 1HD2 LEU 65 2HD2 LEU 65 4.643 7.661 -10.117
518 2HD2 LEU 65 1HD2 LEU 65 5.265 6.042 -9.882
519 3HD2 LEU 65 3HD2 LEU 65 4.433 6.858 -8.572
520 H MET 66 H MET 66 8.104 11.988 -8.772
521 HA MET 66 HA MET 66 6.964 13.573 -6.491
522 1HB MET 66 2HB MET 66 9.280 14.275 -8.341
523 2HB MET 66 1HB MET 66 8.759 15.197 -6.953
524 1HG MET 66 2HG MET 66 9.265 13.267 -5.478
525 2HG MET 66 1HG MET 66 9.778 12.329 -6.846
526 1HE MET 66 3HE MET 66 11.890 12.092 -7.707
527 2HE MET 66 2HE MET 66 11.811 13.640 -8.578
528 3HE MET 66 1HE MET 66 13.216 13.225 -7.607
529 H SER 67 H SER 67 7.639 14.020 -9.916
530 HA SER 67 HA SER 67 6.197 16.338 -10.486
531 1HB SER 67 2HB SER 67 6.566 14.157 -12.531
532 2HB SER 67 1HB SER 67 6.733 15.906 -12.711
533 HG SER 67 HG SER 67 8.566 14.121 -11.963
534 HA PRO 68 HA PRO 68 1.863 14.615 -9.793
535 1HB PRO 68 2HB PRO 68 0.938 17.125 -10.797
536 2HB PRO 68 1HB PRO 68 1.075 16.591 -9.119
537 1HG PRO 68 2HG PRO 68 3.188 18.068 -10.764
538 2HG PRO 68 1HG PRO 68 2.657 18.456 -9.120
539 1HD PRO 68 2HD PRO 68 4.880 17.085 -9.276
540 2HD PRO 68 1HD PRO 68 3.619 16.333 -8.280
541 H GLY 69 H GLY 69 2.011 13.011 -11.309
542 1HA GLY 69 2HA GLY 69 0.340 12.623 -13.406
543 2HA GLY 69 1HA GLY 69 1.427 13.743 -14.184
544 H GLN 70 H GLN 70 3.720 12.739 -12.870
545 HA GLN 70 HA GLN 70 4.530 10.737 -14.799
546 1HB GLN 70 2HB GLN 70 5.978 12.552 -14.014
547 2HB GLN 70 1HB GLN 70 5.813 12.012 -12.355
548 1HG GLN 70 2HG GLN 70 7.162 10.024 -12.741
549 2HG GLN 70 1HG GLN 70 7.121 10.225 -14.484
550 1HE2 GLN 70 2HE2 GLN 70 10.151 11.944 -14.210
551 2HE2 GLN 70 1HE2 GLN 70 9.267 10.735 -15.030
552 H SER 71 H SER 71 3.051 9.096 -14.386
553 HA SER 71 HA SER 71 3.238 7.507 -11.864
554 1HB SER 71 2HB SER 71 1.032 7.795 -13.127
555 2HB SER 71 1HB SER 71 1.680 6.690 -14.330
556 HG SER 71 HG SER 71 0.588 5.788 -12.204
557 H THR 72 H THR 72 3.563 5.322 -11.817
558 HA THR 72 HA THR 72 5.591 4.279 -13.829
559 HB THR 72 HB THR 72 6.649 4.479 -11.636
560 HG1 THR 72 HG1 THR 72 6.333 1.728 -11.815
561 1HG2 THR 72 3HG2 THR 72 4.683 2.274 -10.785
562 2HG2 THR 72 2HG2 THR 72 6.012 2.936 -9.836
563 3HG2 THR 72 1HG2 THR 72 4.607 3.929 -10.198
564 H SER 73 H SER 73 5.339 2.224 -14.593
565 HA SER 73 HA SER 73 2.745 0.789 -14.075
566 1HB SER 73 2HB SER 73 3.152 -0.199 -16.408
567 2HB SER 73 1HB SER 73 3.024 1.561 -16.435
568 HG SER 73 HG SER 73 5.541 0.312 -15.995
569 H THR 74 H THR 74 3.145 -0.724 -12.579
570 HA THR 74 HA THR 74 5.661 -2.386 -12.893
571 HB THR 74 HB THR 74 4.188 -1.825 -10.266
572 HG1 THR 74 HG1 THR 74 6.644 -0.890 -10.408
573 1HG2 THR 74 3HG2 THR 74 7.011 -2.870 -10.920
574 2HG2 THR 74 2HG2 THR 74 6.308 -2.708 -9.319
575 3HG2 THR 74 1HG2 THR 74 5.721 -3.946 -10.406
576 H THR 75 H THR 75 5.512 -4.527 -13.095
577 HA THR 75 HA THR 75 2.805 -5.841 -12.779
578 HB THR 75 HB THR 75 3.536 -5.904 -15.136
579 HG1 THR 75 HG1 THR 75 3.846 -8.543 -14.339
580 1HG2 THR 75 3HG2 THR 75 5.675 -7.847 -14.047
581 2HG2 THR 75 2HG2 THR 75 5.348 -7.458 -15.728
582 3HG2 THR 75 1HG2 THR 75 6.079 -6.259 -14.675
583 H PHE 76 H PHE 76 2.947 -8.100 -12.465
584 HA PHE 76 HA PHE 76 4.984 -8.990 -10.424
585 1HB PHE 76 2HB PHE 76 1.975 -9.533 -10.720
586 2HB PHE 76 1HB PHE 76 2.956 -10.369 -9.527
587 HD1 PHE 76 HD2 PHE 76 1.869 -7.016 -10.686
588 HD2 PHE 76 HD1 PHE 76 3.598 -9.223 -7.500
589 HE1 PHE 76 HE2 PHE 76 1.711 -5.045 -9.265
590 HE2 PHE 76 HE1 PHE 76 3.440 -7.245 -6.054
591 HZ PHE 76 HZ PHE 76 2.494 -5.145 -6.936
592 HA PRO 77 HA PRO 77 4.869 -12.678 -13.184
593 1HB PRO 77 2HB PRO 77 6.427 -14.398 -11.904
594 2HB PRO 77 1HB PRO 77 7.081 -12.808 -12.292
595 1HG PRO 77 2HG PRO 77 5.910 -13.781 -9.634
596 2HG PRO 77 1HG PRO 77 7.385 -12.857 -9.882
597 1HD PRO 77 2HD PRO 77 4.781 -11.733 -9.297
598 2HD PRO 77 1HD PRO 77 6.201 -10.807 -9.851
599 H ALA 78 H ALA 78 4.531 -15.217 -12.746
600 HA ALA 78 HA ALA 78 1.848 -15.489 -11.411
601 1HB ALA 78 1HB ALA 78 3.279 -17.140 -13.565
602 2HB ALA 78 3HB ALA 78 1.628 -17.424 -13.033
603 3HB ALA 78 2HB ALA 78 2.033 -15.946 -13.898
604 H ASP 79 H ASP 79 4.978 -16.401 -11.592
605 HA ASP 79 HA ASP 79 5.251 -18.734 -9.944
606 1HB ASP 79 2HB ASP 79 7.449 -16.815 -10.895
607 2HB ASP 79 1HB ASP 79 7.461 -18.564 -10.918
608 H ALA 80 H ALA 80 3.837 -17.105 -8.482
609 HA ALA 80 HA ALA 80 5.670 -16.006 -6.384
610 1HB ALA 80 3HB ALA 80 2.991 -14.915 -7.374
611 2HB ALA 80 2HB ALA 80 3.894 -14.187 -6.066
612 3HB ALA 80 1HB ALA 80 4.565 -14.213 -7.689
613 HA PRO 81 HA PRO 81 2.802 -17.977 -3.463
614 1HB PRO 81 2HB PRO 81 3.542 -16.890 -1.133
615 2HB PRO 81 1HB PRO 81 4.737 -17.794 -2.065
616 1HG PRO 81 2HG PRO 81 4.281 -14.738 -2.143
617 2HG PRO 81 1HG PRO 81 5.797 -15.569 -1.774
618 1HD PRO 81 2HD PRO 81 5.118 -14.702 -4.327
619 2HD PRO 81 1HD PRO 81 6.146 -16.132 -4.071
620 H ALA 82 H ALA 82 0.812 -17.546 -2.603
621 HA ALA 82 HA ALA 82 -1.127 -16.187 -3.531
622 1HB ALA 82 2HB ALA 82 -0.583 -16.380 -0.538
623 2HB ALA 82 1HB ALA 82 -2.163 -16.090 -1.272
624 3HB ALA 82 3HB ALA 82 -1.330 -17.580 -1.601
625 H GLY 83 H GLY 83 -2.379 -14.513 -3.565
626 1HA GLY 83 2HA GLY 83 -1.325 -11.910 -3.839
627 2HA GLY 83 1HA GLY 83 -3.028 -12.376 -3.801
628 H GLU 84 H GLU 84 -0.523 -12.006 -1.399
629 HA GLU 84 HA GLU 84 -2.540 -10.370 0.085
630 1HB GLU 84 2HB GLU 84 -1.290 -12.709 0.873
631 2HB GLU 84 1HB GLU 84 -0.501 -11.466 1.843
632 1HG GLU 84 2HG GLU 84 -3.553 -11.742 1.602
633 2HG GLU 84 1HG GLU 84 -2.610 -12.307 2.966
634 H TYR 85 H TYR 85 0.641 -10.097 -1.150
635 HA TYR 85 HA TYR 85 1.913 -8.353 0.683
636 1HB TYR 85 2HB TYR 85 2.640 -7.392 -1.965
637 2HB TYR 85 1HB TYR 85 3.584 -8.430 -0.929
638 HD1 TYR 85 HD2 TYR 85 2.800 -10.971 -0.952
639 HD2 TYR 85 HD1 TYR 85 2.052 -8.175 -4.042
640 HE1 TYR 85 HE2 TYR 85 2.487 -12.822 -2.569
641 HE2 TYR 85 HE1 TYR 85 1.757 -10.025 -5.637
642 HH TYR 85 HH TYR 85 1.874 -13.360 -4.552
643 H THR 86 H THR 86 2.202 -6.430 1.173
644 HA THR 86 HA THR 86 0.332 -4.328 0.212
645 HB THR 86 HB THR 86 1.688 -4.381 2.954
646 HG1 THR 86 HG1 THR 86 0.576 -6.084 3.017
647 1HG2 THR 86 3HG2 THR 86 0.379 -2.311 2.162
648 2HG2 THR 86 2HG2 THR 86 -1.016 -3.358 1.974
649 3HG2 THR 86 1HG2 THR 86 -0.307 -3.113 3.566
650 H PHE 87 H PHE 87 1.106 -2.458 -0.340
651 HA PHE 87 HA PHE 87 3.991 -1.962 -0.339
652 1HB PHE 87 2HB PHE 87 3.100 -0.326 -2.331
653 2HB PHE 87 1HB PHE 87 3.795 -1.916 -2.521
654 HD1 PHE 87 HD2 PHE 87 2.184 -3.895 -2.363
655 HD2 PHE 87 HD1 PHE 87 0.919 0.085 -3.099
656 HE1 PHE 87 HE2 PHE 87 0.132 -4.752 -3.266
657 HE2 PHE 87 HE1 PHE 87 -1.177 -0.750 -4.041
658 HZ PHE 87 HZ PHE 87 -1.607 -3.184 -4.146
659 H TYR 88 H TYR 88 4.633 -0.108 0.787
660 HA TYR 88 HA TYR 88 2.656 2.028 1.335
661 1HB TYR 88 2HB TYR 88 4.047 2.478 3.401
662 2HB TYR 88 1HB TYR 88 3.108 0.994 3.343
663 HD1 TYR 88 HD1 TYR 88 4.164 -1.152 2.849
664 HD2 TYR 88 HD2 TYR 88 6.495 2.371 3.370
665 HE1 TYR 88 HE1 TYR 88 6.157 -2.509 3.119
666 HE2 TYR 88 HE2 TYR 88 8.505 0.965 3.634
667 HH TYR 88 HH TYR 88 8.428 -2.429 3.034
668 H CYS 89 H CYS 89 3.258 4.199 1.062
669 HA CYS 89 HA CYS 89 5.535 4.860 -0.669
670 1HB CYS 89 2HB CYS 89 3.643 6.537 0.935
671 2HB CYS 89 1HB CYS 89 4.977 7.264 0.088
672 H GLU 90 H GLU 90 6.887 3.681 1.388
673 HA GLU 90 HA GLU 90 7.998 4.193 3.566
674 1HB GLU 90 2HB GLU 90 9.284 3.340 1.807
675 2HB GLU 90 1HB GLU 90 9.408 4.841 0.957
676 1HG GLU 90 2HG GLU 90 10.899 5.720 2.867
677 2HG GLU 90 1HG GLU 90 10.688 4.191 3.684
678 HA PRO 91 HA PRO 91 9.227 8.755 4.219
679 1HB PRO 91 2HB PRO 91 9.085 10.614 2.228
680 2HB PRO 91 1HB PRO 91 10.459 9.511 2.389
681 1HG PRO 91 2HG PRO 91 7.932 9.056 0.684
682 2HG PRO 91 1HG PRO 91 9.603 9.108 0.106
683 1HD PRO 91 2HD PRO 91 8.535 6.708 0.720
684 2HD PRO 91 1HD PRO 91 10.177 7.045 1.313
685 H HIS 92 HN HIP 92 6.390 8.291 2.363
686 HA HIS 92 HA HIP 92 4.845 10.501 3.617
687 1HB HIS 92 2HB HIP 92 4.258 8.400 1.517
688 2HB HIS 92 1HB HIP 92 2.913 9.242 2.232
689 HD2 HIS 92 HD2 HIP 92 4.790 12.178 2.135
690 HE1 HIS 92 HE1 HIP 92 3.952 11.741 -1.911
691 HE2 HIS 92 HE2 HIP 92 4.656 13.250 -0.184
692 H ARG 93 H ARG 93 5.491 9.407 5.679
693 HA ARG 93 HA ARG 93 3.769 7.122 6.487
694 1HB ARG 93 2HB ARG 93 6.164 7.301 7.139
695 2HB ARG 93 1HB ARG 93 5.836 8.789 7.992
696 1HG ARG 93 2HG ARG 93 4.388 7.594 9.633
697 2HG ARG 93 1HG ARG 93 4.551 6.095 8.723
698 1HD ARG 93 2HD ARG 93 7.013 6.129 9.086
699 2HD ARG 93 1HD ARG 93 6.869 7.623 10.004
700 HE ARG 93 HE ARG 93 5.419 5.084 10.880
701 1HH1 ARG 93 1HH2 ARG 93 4.914 7.452 12.271
702 2HH1 ARG 93 2HH2 ARG 93 5.925 7.349 13.674
703 1HH2 ARG 93 2HH1 ARG 93 7.803 4.966 11.991
704 2HH2 ARG 93 1HH1 ARG 93 7.710 5.815 13.498
705 H GLY 94 H GLY 94 2.282 7.228 8.259
706 1HA GLY 94 2HA GLY 94 0.688 8.333 9.756
707 2HA GLY 94 1HA GLY 94 1.361 9.886 9.269
708 H ALA 95 H ALA 95 1.052 10.099 6.776
709 HA ALA 95 HA ALA 95 -1.849 10.334 6.349
710 1HB ALA 95 3HB ALA 95 -0.266 12.177 5.826
711 2HB ALA 95 2HB ALA 95 0.568 11.147 4.669
712 3HB ALA 95 1HB ALA 95 -1.083 11.652 4.362
713 H GLY 96 H GLY 96 -1.899 8.074 6.488
714 1HA GLY 96 2HA GLY 96 -1.747 5.772 5.579
715 2HA GLY 96 1HA GLY 96 -3.227 6.479 5.024
716 H MET 97 H MET 97 0.001 6.811 3.702
717 HA MET 97 HA MET 97 -1.040 6.131 1.013
718 1HB MET 97 2HB MET 97 1.744 6.839 2.028
719 2HB MET 97 1HB MET 97 1.355 6.607 0.332
720 1HG MET 97 2HG MET 97 -0.603 8.402 1.318
721 2HG MET 97 1HG MET 97 0.845 8.918 2.075
722 1HE MET 97 2HE MET 97 -1.296 8.462 -0.610
723 2HE MET 97 1HE MET 97 -1.013 9.909 -1.543
724 3HE MET 97 3HE MET 97 -0.321 8.353 -2.054
725 H VAL 98 H VAL 98 -1.592 4.041 2.205
726 HA VAL 98 HA VAL 98 0.397 1.892 1.695
727 HB VAL 98 HB VAL 98 -0.915 0.650 3.357
728 1HG1 VAL 98 2HG1 VAL 98 1.255 1.821 3.895
729 2HG1 VAL 98 1HG1 VAL 98 0.364 3.290 4.227
730 3HG1 VAL 98 3HG1 VAL 98 0.162 1.886 5.264
731 1HG2 VAL 98 3HG2 VAL 98 -2.990 1.992 3.369
732 2HG2 VAL 98 2HG2 VAL 98 -2.270 1.950 4.966
733 3HG2 VAL 98 1HG2 VAL 98 -2.109 3.381 3.968
734 H GLY 99 H GLY 99 -0.099 0.432 0.071
735 1HA GLY 99 2HA GLY 99 -3.011 -0.118 -0.606
736 2HA GLY 99 1HA GLY 99 -1.789 0.005 -1.859
737 H LYS 100 H LYS 100 -3.487 -2.225 -1.494
738 HA LYS 100 HA LYS 100 -1.465 -4.357 -0.966
739 1HB LYS 100 2HB LYS 100 -2.936 -4.208 0.993
740 2HB LYS 100 1HB LYS 100 -4.367 -4.265 -0.026
741 1HG LYS 100 2HG LYS 100 -3.720 -6.581 -0.816
742 2HG LYS 100 1HG LYS 100 -2.289 -6.532 0.183
743 1HD LYS 100 2HD LYS 100 -5.139 -6.237 1.284
744 2HD LYS 100 1HD LYS 100 -4.365 -7.778 1.110
745 1HE LYS 100 2HE LYS 100 -3.292 -5.494 2.840
746 2HE LYS 100 1HE LYS 100 -4.172 -6.913 3.425
747 1HZ LYS 100 1HZ LYS 100 -2.269 -7.938 1.798
748 2HZ LYS 100 3HZ LYS 100 -1.389 -6.777 2.644
749 3HZ LYS 100 2HZ LYS 100 -2.251 -8.096 3.364
750 H ILE 101 H ILE 101 -1.374 -5.937 -2.373
751 HA ILE 101 HA ILE 101 -3.332 -5.949 -4.660
752 HB ILE 101 HB ILE 101 -0.702 -5.413 -4.924
753 1HG1 ILE 101 2HG1 ILE 101 -2.626 -6.848 -6.742
754 2HG1 ILE 101 1HG1 ILE 101 -2.223 -5.156 -6.652
755 1HG2 ILE 101 3HG2 ILE 101 -0.045 -7.735 -4.094
756 2HG2 ILE 101 2HG2 ILE 101 -0.888 -8.412 -5.477
757 3HG2 ILE 101 1HG2 ILE 101 0.523 -7.408 -5.725
758 1HD1 ILE 101 3HD1 ILE 101 0.077 -5.547 -7.459
759 2HD1 ILE 101 2HD1 ILE 101 -0.212 -7.265 -7.604
760 3HD1 ILE 101 1HD1 ILE 101 -1.050 -6.163 -8.638
761 H THR 102 H THR 102 -4.551 -7.688 -4.884
762 HA THR 102 HA THR 102 -3.757 -10.247 -3.607
763 HB THR 102 HB THR 102 -6.593 -9.178 -4.215
764 HG1 THR 102 HG1 THR 102 -4.972 -9.954 -2.014
765 1HG2 THR 102 1HG2 THR 102 -5.701 -11.760 -2.791
766 2HG2 THR 102 3HG2 THR 102 -7.341 -11.223 -3.086
767 3HG2 THR 102 2HG2 THR 102 -6.358 -11.811 -4.422
768 H VAL 103 H VAL 103 -2.597 -11.155 -4.972
769 HA VAL 103 HA VAL 103 -3.256 -11.357 -7.833
770 HB VAL 103 HB VAL 103 -1.133 -12.988 -6.410
771 1HG1 VAL 103 1HG1 VAL 103 -1.219 -11.724 -9.142
772 2HG1 VAL 103 3HG1 VAL 103 0.106 -12.674 -8.484
773 3HG1 VAL 103 2HG1 VAL 103 -1.455 -13.428 -8.757
774 1HG2 VAL 103 1HG2 VAL 103 -0.870 -10.064 -7.131
775 2HG2 VAL 103 3HG2 VAL 103 -0.771 -10.738 -5.528
776 3HG2 VAL 103 2HG2 VAL 103 0.442 -11.154 -6.711
777 H ALA 104 H ALA 104 -5.320 -12.193 -7.337
778 HA ALA 104 HA ALA 104 -6.779 -14.102 -6.719
779 1HB ALA 104 2HB ALA 104 -7.028 -13.098 -8.954
780 2HB ALA 104 1HB ALA 104 -5.765 -14.142 -9.578
781 3HB ALA 104 3HB ALA 104 -7.291 -14.837 -9.072
782 H GLY 105 HN GLY 105 -5.185 -15.177 -5.292
783 1HA GLY 105 2HA GLY 105 -5.388 -17.803 -4.955
784 2HA GLY 105 1HA GLY 105 -4.042 -17.746 -6.100
No H/Q in entry = 784
Start of MODEL 9
1 1H GLU 1 3H GLU 1 -5.559 -6.364 -15.011
2 2H GLU 1 2H GLU 1 -6.732 -6.854 -16.078
3 3H GLU 1 1H GLU 1 -5.196 -7.601 -16.053
4 HA GLU 1 HA GLU 1 -4.389 -6.130 -17.510
5 1HB GLU 1 2HB GLU 1 -6.164 -4.323 -18.355
6 2HB GLU 1 1HB GLU 1 -6.492 -6.004 -18.693
7 1HG GLU 1 2HG GLU 1 -7.734 -4.592 -16.254
8 2HG GLU 1 1HG GLU 1 -8.490 -4.579 -17.814
9 H THR 2 H THR 2 -3.313 -3.717 -17.293
10 HA THR 2 HA THR 2 -2.823 -3.157 -14.599
11 HB THR 2 HB THR 2 -1.420 -1.876 -16.330
12 HG1 THR 2 HG1 THR 2 -2.151 0.271 -15.290
13 1HG2 THR 2 2HG2 THR 2 -3.344 -1.270 -17.876
14 2HG2 THR 2 1HG2 THR 2 -3.848 -0.133 -16.629
15 3HG2 THR 2 3HG2 THR 2 -2.276 0.036 -17.385
16 H TYR 3 H TYR 3 -3.448 -2.208 -13.173
17 HA TYR 3 HA TYR 3 -6.114 -0.812 -13.107
18 1HB TYR 3 2HB TYR 3 -4.670 -2.446 -10.999
19 2HB TYR 3 1HB TYR 3 -6.224 -1.666 -10.722
20 HD1 TYR 3 HD2 TYR 3 -7.876 -2.069 -12.916
21 HD2 TYR 3 HD1 TYR 3 -4.862 -4.740 -11.549
22 HE1 TYR 3 HE2 TYR 3 -9.008 -3.930 -14.032
23 HE2 TYR 3 HE1 TYR 3 -6.030 -6.598 -12.669
24 HH TYR 3 HH TYR 3 -8.802 -5.877 -14.660
25 H THR 4 H THR 4 -5.012 1.062 -13.743
26 HA THR 4 HA THR 4 -2.863 2.435 -12.711
27 HB THR 4 HB THR 4 -5.468 3.881 -13.546
28 HG1 THR 4 HG1 THR 4 -3.734 2.512 -15.340
29 1HG2 THR 4 3HG2 THR 4 -2.630 4.032 -14.663
30 2HG2 THR 4 2HG2 THR 4 -3.982 5.044 -15.101
31 3HG2 THR 4 1HG2 THR 4 -3.292 5.164 -13.492
32 H VAL 5 H VAL 5 -2.939 1.884 -10.514
33 HA VAL 5 HA VAL 5 -4.593 2.974 -8.487
34 HB VAL 5 HB VAL 5 -1.659 2.109 -8.607
35 1HG1 VAL 5 2HG1 VAL 5 -1.824 3.782 -6.733
36 2HG1 VAL 5 1HG1 VAL 5 -3.160 2.877 -6.052
37 3HG1 VAL 5 3HG1 VAL 5 -1.568 2.155 -6.135
38 1HG2 VAL 5 2HG2 VAL 5 -3.436 0.357 -8.712
39 2HG2 VAL 5 1HG2 VAL 5 -2.488 0.225 -7.244
40 3HG2 VAL 5 3HG2 VAL 5 -4.090 0.944 -7.189
41 H LYS 6 H LYS 6 -4.490 4.781 -7.184
42 HA LYS 6 HA LYS 6 -2.753 7.063 -8.170
43 1HB LYS 6 2HB LYS 6 -5.656 7.146 -7.295
44 2HB LYS 6 1HB LYS 6 -4.730 8.570 -7.744
45 1HG LYS 6 2HG LYS 6 -4.545 7.858 -10.036
46 2HG LYS 6 1HG LYS 6 -4.990 6.212 -9.658
47 1HD LYS 6 2HD LYS 6 -7.277 7.327 -8.777
48 2HD LYS 6 1HD LYS 6 -6.794 8.691 -9.761
49 1HE LYS 6 2HE LYS 6 -8.323 7.155 -10.982
50 2HE LYS 6 1HE LYS 6 -6.737 7.183 -11.763
51 1HZ LYS 6 2HZ LYS 6 -6.642 5.382 -9.653
52 2HZ LYS 6 1HZ LYS 6 -8.001 4.946 -10.377
53 3HZ LYS 6 3HZ LYS 6 -6.484 4.929 -11.187
54 H LEU 7 H LEU 7 -1.545 8.070 -6.718
55 HA LEU 7 HA LEU 7 -2.172 7.784 -3.789
56 1HB LEU 7 2HB LEU 7 0.347 7.983 -3.493
57 2HB LEU 7 1HB LEU 7 -0.194 6.506 -4.248
58 HG LEU 7 HG LEU 7 0.462 8.762 -6.129
59 1HD1 LEU 7 3HD1 LEU 7 2.557 7.196 -4.556
60 2HD1 LEU 7 2HD1 LEU 7 2.881 8.274 -5.904
61 3HD1 LEU 7 1HD1 LEU 7 2.217 8.919 -4.417
62 1HD2 LEU 7 1HD2 LEU 7 1.253 5.807 -5.990
63 2HD2 LEU 7 3HD2 LEU 7 -0.134 6.421 -6.882
64 3HD2 LEU 7 2HD2 LEU 7 1.490 6.879 -7.360
65 H GLY 8 H GLY 8 -3.168 9.633 -3.347
66 1HA GLY 8 2HA GLY 8 -2.854 11.964 -2.411
67 2HA GLY 8 1HA GLY 8 -1.604 12.220 -3.615
68 H SER 9 H SER 9 -5.167 11.904 -3.300
69 HA SER 9 HA SER 9 -5.350 13.031 -6.085
70 1HB SER 9 2HB SER 9 -6.995 11.235 -5.365
71 2HB SER 9 1HB SER 9 -7.698 12.399 -4.226
72 HG SER 9 HG SER 9 -8.092 12.269 -6.850
73 H ASP 10 H ASP 10 -4.164 14.801 -5.149
74 HA ASP 10 HA ASP 10 -4.279 16.779 -3.618
75 1HB ASP 10 2HB ASP 10 -4.173 16.619 -6.617
76 2HB ASP 10 1HB ASP 10 -4.217 18.241 -5.959
77 H LYS 11 H LYS 11 -6.858 16.193 -3.182
78 HA LYS 11 HA LYS 11 -8.312 18.816 -3.463
79 1HB LYS 11 2HB LYS 11 -9.213 16.002 -3.595
80 2HB LYS 11 1HB LYS 11 -10.278 17.194 -2.900
81 1HG LYS 11 2HG LYS 11 -10.483 18.488 -4.783
82 2HG LYS 11 1HG LYS 11 -8.906 18.123 -5.421
83 1HD LYS 11 2HD LYS 11 -10.770 15.758 -5.262
84 2HD LYS 11 1HD LYS 11 -11.333 17.036 -6.305
85 1HE LYS 11 2HE LYS 11 -9.917 15.324 -7.490
86 2HE LYS 11 1HE LYS 11 -9.317 16.987 -7.617
87 1HZ LYS 11 2HZ LYS 11 -8.285 15.960 -5.254
88 2HZ LYS 11 1HZ LYS 11 -8.040 14.726 -6.311
89 3HZ LYS 11 3HZ LYS 11 -7.382 16.265 -6.619
90 H GLY 12 H GLY 12 -6.270 17.828 -1.498
91 1HA GLY 12 2HA GLY 12 -6.231 18.751 0.864
92 2HA GLY 12 1HA GLY 12 -7.808 18.047 1.093
93 H LEU 13 H LEU 13 -6.953 15.375 -0.065
94 HA LEU 13 HA LEU 13 -5.214 14.601 2.260
95 1HB LEU 13 2HB LEU 13 -7.541 13.054 1.079
96 2HB LEU 13 1HB LEU 13 -6.563 12.520 2.430
97 HG LEU 13 HG LEU 13 -8.244 15.068 2.435
98 1HD1 LEU 13 1HD1 LEU 13 -8.683 12.330 3.722
99 2HD1 LEU 13 3HD1 LEU 13 -9.710 13.737 3.925
100 3HD1 LEU 13 2HD1 LEU 13 -9.592 12.961 2.360
101 1HD2 LEU 13 2HD2 LEU 13 -6.792 13.552 4.665
102 2HD2 LEU 13 1HD2 LEU 13 -6.280 15.101 4.008
103 3HD2 LEU 13 3HD2 LEU 13 -7.792 14.977 4.868
104 H LEU 14 H LEU 14 -3.968 12.868 2.292
105 HA LEU 14 HA LEU 14 -2.655 12.106 -0.272
106 1HB LEU 14 2HB LEU 14 -1.912 11.836 2.679
107 2HB LEU 14 1HB LEU 14 -0.957 11.095 1.431
108 HG LEU 14 HG LEU 14 -1.542 14.097 1.453
109 1HD1 LEU 14 1HD1 LEU 14 0.893 12.526 2.457
110 2HD1 LEU 14 3HD1 LEU 14 0.751 14.271 2.406
111 3HD1 LEU 14 2HD1 LEU 14 -0.258 13.344 3.499
112 1HD2 LEU 14 2HD2 LEU 14 0.599 12.345 0.136
113 2HD2 LEU 14 1HD2 LEU 14 -0.769 13.027 -0.734
114 3HD2 LEU 14 3HD2 LEU 14 0.453 14.071 -0.051
115 H VAL 15 H VAL 15 -4.885 11.011 -0.456
116 HA VAL 15 HA VAL 15 -5.027 8.343 0.820
117 HB VAL 15 HB VAL 15 -7.227 8.160 -0.391
118 1HG1 VAL 15 2HG1 VAL 15 -6.785 10.825 1.023
119 2HG1 VAL 15 1HG1 VAL 15 -8.336 10.038 0.799
120 3HG1 VAL 15 3HG1 VAL 15 -7.116 9.301 1.820
121 1HG2 VAL 15 1HG2 VAL 15 -6.604 9.493 -2.428
122 2HG2 VAL 15 3HG2 VAL 15 -8.055 10.114 -1.666
123 3HG2 VAL 15 2HG2 VAL 15 -6.534 10.956 -1.452
124 H PHE 16 H PHE 16 -5.373 6.456 -0.229
125 HA PHE 16 HA PHE 16 -3.894 6.067 -2.795
126 1HB PHE 16 2HB PHE 16 -3.353 5.075 -0.242
127 2HB PHE 16 1HB PHE 16 -4.213 3.745 -0.962
128 HD1 PHE 16 HD2 PHE 16 -2.706 4.788 -3.881
129 HD2 PHE 16 HD1 PHE 16 -1.678 3.389 -0.013
130 HE1 PHE 16 HE2 PHE 16 -0.576 3.939 -4.745
131 HE2 PHE 16 HE1 PHE 16 0.456 2.546 -0.858
132 HZ PHE 16 HZ PHE 16 1.018 2.802 -3.216
133 H GLU 17 H GLU 17 -5.194 5.640 -4.406
134 HA GLU 17 HA GLU 17 -7.678 4.013 -3.984
135 1HB GLU 17 2HB GLU 17 -8.233 6.205 -4.671
136 2HB GLU 17 1HB GLU 17 -6.908 6.281 -5.805
137 1HG GLU 17 2HG GLU 17 -9.269 4.372 -6.290
138 2HG GLU 17 1HG GLU 17 -9.291 6.013 -6.858
139 HA PRO 18 HA PRO 18 -9.133 2.814 -4.910
140 1HB PRO 18 2HB PRO 18 -9.996 0.418 -5.718
141 2HB PRO 18 1HB PRO 18 -9.869 1.773 -6.855
142 1HG PRO 18 2HG PRO 18 -7.702 -0.364 -6.324
143 2HG PRO 18 1HG PRO 18 -8.498 -0.032 -7.867
144 1HD PRO 18 2HD PRO 18 -6.156 1.232 -7.313
145 2HD PRO 18 1HD PRO 18 -7.470 2.162 -8.048
146 H ALA 19 H ALA 19 -6.485 1.968 -3.778
147 HA ALA 19 HA ALA 19 -5.612 1.185 -1.760
148 1HB ALA 19 1HB ALA 19 -7.585 2.286 -0.819
149 2HB ALA 19 3HB ALA 19 -8.579 0.869 -1.079
150 3HB ALA 19 2HB ALA 19 -7.267 0.815 0.083
151 H LYS 20 H LYS 20 -8.218 -0.965 -2.624
152 HA LYS 20 HA LYS 20 -6.589 -3.413 -1.988
153 1HB LYS 20 2HB LYS 20 -8.836 -4.520 -1.713
154 2HB LYS 20 1HB LYS 20 -8.506 -3.236 -0.563
155 1HG LYS 20 2HG LYS 20 -9.876 -1.644 -1.808
156 2HG LYS 20 1HG LYS 20 -10.068 -2.741 -3.154
157 1HD LYS 20 2HD LYS 20 -11.252 -4.361 -1.624
158 2HD LYS 20 1HD LYS 20 -11.138 -3.174 -0.326
159 1HE LYS 20 2HE LYS 20 -12.406 -1.540 -1.706
160 2HE LYS 20 1HE LYS 20 -12.492 -2.711 -3.020
161 1HZ LYS 20 1HZ LYS 20 -13.299 -4.006 -0.639
162 2HZ LYS 20 3HZ LYS 20 -14.176 -2.561 -0.727
163 3HZ LYS 20 2HZ LYS 20 -14.256 -3.686 -1.995
164 H LEU 21 H LEU 21 -5.668 -4.144 -3.798
165 HA LEU 21 HA LEU 21 -7.269 -4.443 -6.282
166 1HB LEU 21 2HB LEU 21 -5.563 -2.827 -6.488
167 2HB LEU 21 1HB LEU 21 -4.389 -3.964 -5.882
168 HG LEU 21 HG LEU 21 -4.482 -5.376 -7.765
169 1HD1 LEU 21 3HD1 LEU 21 -6.930 -5.456 -8.305
170 2HD1 LEU 21 2HD1 LEU 21 -6.847 -3.838 -8.963
171 3HD1 LEU 21 1HD1 LEU 21 -5.990 -5.168 -9.702
172 1HD2 LEU 21 2HD2 LEU 21 -4.612 -2.505 -8.707
173 2HD2 LEU 21 1HD2 LEU 21 -3.191 -3.358 -8.112
174 3HD2 LEU 21 3HD2 LEU 21 -3.905 -3.797 -9.639
175 H THR 22 H THR 22 -7.944 -6.554 -6.600
176 HA THR 22 HA THR 22 -5.955 -8.776 -6.223
177 HB THR 22 HB THR 22 -8.910 -8.952 -7.136
178 HG1 THR 22 HG1 THR 22 -8.263 -10.015 -4.749
179 1HG2 THR 22 2HG2 THR 22 -6.982 -11.055 -5.945
180 2HG2 THR 22 1HG2 THR 22 -8.625 -11.335 -6.498
181 3HG2 THR 22 3HG2 THR 22 -7.358 -10.969 -7.655
182 H ILE 23 H ILE 23 -4.512 -8.150 -7.960
183 HA ILE 23 HA ILE 23 -5.673 -7.654 -10.596
184 HB ILE 23 HB ILE 23 -3.562 -7.205 -11.498
185 1HG1 ILE 23 2HG1 ILE 23 -2.350 -9.314 -11.037
186 2HG1 ILE 23 1HG1 ILE 23 -1.364 -7.921 -10.724
187 1HG2 ILE 23 3HG2 ILE 23 -4.005 -5.655 -9.843
188 2HG2 ILE 23 2HG2 ILE 23 -3.150 -6.566 -8.605
189 3HG2 ILE 23 1HG2 ILE 23 -2.263 -5.864 -9.959
190 1HD1 ILE 23 3HD1 ILE 23 -2.875 -9.440 -8.575
191 2HD1 ILE 23 2HD1 ILE 23 -1.157 -9.631 -8.929
192 3HD1 ILE 23 1HD1 ILE 23 -1.762 -8.112 -8.311
193 H LYS 24 H LYS 24 -4.584 -8.813 -12.511
194 HA LYS 24 HA LYS 24 -5.066 -11.576 -11.858
195 1HB LYS 24 2HB LYS 24 -4.924 -10.012 -14.468
196 2HB LYS 24 1HB LYS 24 -4.853 -11.741 -14.573
197 1HG LYS 24 2HG LYS 24 -7.124 -11.824 -14.563
198 2HG LYS 24 1HG LYS 24 -7.101 -11.259 -12.907
199 1HD LYS 24 2HD LYS 24 -7.557 -9.010 -13.465
200 2HD LYS 24 1HD LYS 24 -6.840 -9.137 -15.054
201 1HE LYS 24 2HE LYS 24 -8.716 -10.433 -15.905
202 2HE LYS 24 1HE LYS 24 -9.439 -10.532 -14.298
203 1HZ LYS 24 1HZ LYS 24 -8.896 -7.823 -14.837
204 2HZ LYS 24 3HZ LYS 24 -9.569 -8.341 -16.197
205 3HZ LYS 24 2HZ LYS 24 -10.415 -8.459 -14.744
206 HA PRO 25 HA PRO 25 -0.948 -12.655 -11.032
207 1HB PRO 25 2HB PRO 25 -0.587 -14.803 -12.923
208 2HB PRO 25 1HB PRO 25 -1.004 -14.911 -11.217
209 1HG PRO 25 2HG PRO 25 -2.877 -14.729 -13.623
210 2HG PRO 25 1HG PRO 25 -3.056 -15.738 -12.182
211 1HD PRO 25 2HD PRO 25 -4.530 -13.540 -12.315
212 2HD PRO 25 1HD PRO 25 -3.604 -13.753 -10.802
213 H GLY 26 H GLY 26 -0.102 -10.566 -11.780
214 1HA GLY 26 2HA GLY 26 2.295 -10.312 -12.918
215 2HA GLY 26 1HA GLY 26 1.473 -10.814 -14.350
216 H ASP 27 H ASP 27 -0.873 -9.385 -13.886
217 HA ASP 27 HA ASP 27 -0.979 -7.393 -15.438
218 1HB ASP 27 2HB ASP 27 -2.267 -8.126 -12.968
219 2HB ASP 27 1HB ASP 27 -2.292 -6.377 -13.039
220 H THR 28 H THR 28 -0.634 -5.526 -16.001
221 HA THR 28 HA THR 28 1.591 -3.987 -15.040
222 HB THR 28 HB THR 28 -0.492 -3.404 -17.141
223 HG1 THR 28 HG1 THR 28 2.067 -4.566 -16.831
224 1HG2 THR 28 1HG2 THR 28 2.458 -2.538 -16.893
225 2HG2 THR 28 3HG2 THR 28 1.380 -2.189 -18.235
226 3HG2 THR 28 2HG2 THR 28 1.157 -1.389 -16.708
227 H VAL 29 H VAL 29 -0.315 -3.980 -13.168
228 HA VAL 29 HA VAL 29 -1.738 -1.555 -12.714
229 HB VAL 29 HB VAL 29 -1.772 -3.435 -10.954
230 1HG1 VAL 29 2HG1 VAL 29 0.609 -4.178 -11.248
231 2HG1 VAL 29 1HG1 VAL 29 1.150 -2.711 -10.462
232 3HG1 VAL 29 3HG1 VAL 29 0.241 -3.887 -9.566
233 1HG2 VAL 29 2HG2 VAL 29 -2.209 -1.157 -10.039
234 2HG2 VAL 29 1HG2 VAL 29 -1.380 -2.161 -8.866
235 3HG2 VAL 29 3HG2 VAL 29 -0.497 -0.943 -9.746
236 H GLU 30 H GLU 30 -1.292 0.357 -13.048
237 HA GLU 30 HA GLU 30 1.405 1.407 -12.702
238 1HB GLU 30 2HB GLU 30 -1.061 2.797 -13.698
239 2HB GLU 30 1HB GLU 30 0.565 3.387 -13.841
240 1HG GLU 30 2HG GLU 30 1.120 1.912 -15.594
241 2HG GLU 30 1HG GLU 30 -0.112 0.733 -15.161
242 H PHE 31 H PHE 31 1.940 3.058 -11.409
243 HA PHE 31 HA PHE 31 0.036 3.848 -9.208
244 1HB PHE 31 2HB PHE 31 3.067 3.586 -9.241
245 2HB PHE 31 1HB PHE 31 2.179 4.240 -7.879
246 HD1 PHE 31 HD1 PHE 31 2.477 1.170 -10.031
247 HD2 PHE 31 HD2 PHE 31 1.138 2.771 -6.322
248 HE1 PHE 31 HE1 PHE 31 2.050 -1.081 -9.204
249 HE2 PHE 31 HE2 PHE 31 0.706 0.500 -5.496
250 HZ PHE 31 HZ PHE 31 1.160 -1.429 -6.939
251 H LEU 32 H LEU 32 -0.862 5.686 -10.055
252 HA LEU 32 HA LEU 32 0.659 7.770 -11.337
253 1HB LEU 32 2HB LEU 32 -2.218 7.337 -10.541
254 2HB LEU 32 1HB LEU 32 -1.733 8.916 -11.101
255 HG LEU 32 HG LEU 32 -2.699 7.383 -12.906
256 1HD1 LEU 32 2HD1 LEU 32 -1.209 9.313 -13.477
257 2HD1 LEU 32 1HD1 LEU 32 0.198 8.270 -13.320
258 3HD1 LEU 32 3HD1 LEU 32 -0.986 7.956 -14.565
259 1HD2 LEU 32 2HD2 LEU 32 -1.564 5.263 -12.138
260 2HD2 LEU 32 1HD2 LEU 32 -1.212 5.642 -13.813
261 3HD2 LEU 32 3HD2 LEU 32 -0.018 5.947 -12.598
262 H ASN 33 H ASN 33 1.708 9.201 -10.475
263 HA ASN 33 HA ASN 33 1.588 9.914 -7.613
264 1HB ASN 33 2HB ASN 33 3.705 9.481 -9.156
265 2HB ASN 33 1HB ASN 33 3.517 11.180 -9.573
266 1HD2 ASN 33 2HD2 ASN 33 4.868 12.128 -6.476
267 2HD2 ASN 33 1HD2 ASN 33 4.327 12.731 -7.955
268 H ASN 34 H ASN 34 1.435 11.888 -6.733
269 HA ASN 34 HA ASN 34 0.080 14.059 -8.324
270 1HB ASN 34 2HB ASN 34 -1.478 14.172 -6.596
271 2HB ASN 34 1HB ASN 34 -0.904 12.582 -6.166
272 1HD2 ASN 34 2HD2 ASN 34 -0.707 15.168 -3.373
273 2HD2 ASN 34 1HD2 ASN 34 -1.834 15.115 -4.649
274 H LYS 35 H LYS 35 0.411 16.164 -6.582
275 HA LYS 35 HA LYS 35 3.450 16.274 -6.331
276 1HB LYS 35 2HB LYS 35 3.339 18.713 -6.960
277 2HB LYS 35 1HB LYS 35 2.996 17.578 -8.218
278 1HG LYS 35 2HG LYS 35 1.611 19.485 -8.542
279 2HG LYS 35 1HG LYS 35 0.580 18.151 -8.109
280 1HD LYS 35 2HD LYS 35 1.576 19.978 -5.875
281 2HD LYS 35 1HD LYS 35 0.343 20.607 -6.952
282 1HE LYS 35 2HE LYS 35 -1.068 18.760 -6.587
283 2HE LYS 35 1HE LYS 35 0.130 17.913 -5.620
284 1HZ LYS 35 1HZ LYS 35 -0.300 20.489 -4.467
285 2HZ LYS 35 3HZ LYS 35 -1.793 19.643 -4.746
286 3HZ LYS 35 2HZ LYS 35 -0.651 18.901 -3.884
287 H VAL 36 H VAL 36 2.406 15.438 -4.277
288 HA VAL 36 HA VAL 36 2.726 17.539 -2.149
289 HB VAL 36 HB VAL 36 0.771 15.186 -2.066
290 1HG1 VAL 36 2HG1 VAL 36 1.221 17.553 -0.151
291 2HG1 VAL 36 1HG1 VAL 36 0.005 16.308 0.047
292 3HG1 VAL 36 3HG1 VAL 36 1.704 15.900 0.170
293 1HG2 VAL 36 3HG2 VAL 36 0.297 18.198 -2.255
294 2HG2 VAL 36 2HG2 VAL 36 0.039 17.046 -3.568
295 3HG2 VAL 36 1HG2 VAL 36 -0.971 16.983 -2.136
296 HA PRO 37 HA PRO 37 5.600 14.112 -2.591
297 1HB PRO 37 2HB PRO 37 7.961 15.387 -2.501
298 2HB PRO 37 1HB PRO 37 6.788 15.786 -3.766
299 1HG PRO 37 2HG PRO 37 7.136 17.174 -1.030
300 2HG PRO 37 1HG PRO 37 7.241 17.941 -2.617
301 1HD PRO 37 2HD PRO 37 4.888 17.909 -1.196
302 2HD PRO 37 1HD PRO 37 4.873 17.778 -2.972
303 HA PRO 38 HA PRO 38 7.465 13.102 -2.798
304 1HB PRO 38 2HB PRO 38 9.715 11.836 -2.306
305 2HB PRO 38 1HB PRO 38 9.649 13.567 -1.964
306 1HG PRO 38 2HG PRO 38 9.397 11.294 0.051
307 2HG PRO 38 1HG PRO 38 10.311 12.793 0.194
308 1HD PRO 38 2HD PRO 38 7.606 12.379 1.140
309 2HD PRO 38 1HD PRO 38 8.437 13.943 1.041
310 H HIS 39 HN HIP 39 7.083 11.031 -3.863
311 HA HIS 39 HA HIP 39 5.855 9.034 -1.972
312 1HB HIS 39 2HB HIP 39 5.085 9.476 -4.789
313 2HB HIS 39 1HB HIP 39 4.308 8.387 -3.676
314 HD2 HIS 39 HD2 HIP 39 3.575 11.547 -5.149
315 HE1 HIS 39 HE1 HIP 39 2.243 12.195 -1.284
316 HE2 HIS 39 HE2 HIP 39 2.204 12.942 -3.599
317 H ASN 40 H ASN 40 7.565 7.632 -1.618
318 HA ASN 40 HA ASN 40 8.271 5.821 -3.929
319 1HB ASN 40 2HB ASN 40 10.281 6.821 -2.684
320 2HB ASN 40 1HB ASN 40 9.662 6.122 -1.196
321 1HD2 ASN 40 2HD2 ASN 40 11.914 3.857 -3.463
322 2HD2 ASN 40 1HD2 ASN 40 11.717 5.524 -3.793
323 H VAL 41 H VAL 41 6.514 4.308 -3.879
324 HA VAL 41 HA VAL 41 5.730 3.367 -1.151
325 HB VAL 41 HB VAL 41 3.999 2.009 -2.257
326 1HG1 VAL 41 1HG1 VAL 41 4.087 4.978 -2.974
327 2HG1 VAL 41 3HG1 VAL 41 2.620 4.028 -2.995
328 3HG1 VAL 41 2HG1 VAL 41 3.483 4.244 -1.491
329 1HG2 VAL 41 2HG2 VAL 41 4.821 3.447 -4.821
330 2HG2 VAL 41 1HG2 VAL 41 4.969 1.709 -4.547
331 3HG2 VAL 41 3HG2 VAL 41 3.396 2.454 -4.635
332 H VAL 42 H VAL 42 6.699 1.924 -0.293
333 HA VAL 42 HA VAL 42 8.490 0.015 -1.609
334 HB VAL 42 HB VAL 42 7.876 0.545 1.280
335 1HG1 VAL 42 3HG1 VAL 42 10.135 -1.145 0.110
336 2HG1 VAL 42 2HG1 VAL 42 10.047 -0.576 1.777
337 3HG1 VAL 42 1HG1 VAL 42 8.827 -1.640 1.135
338 1HG2 VAL 42 3HG2 VAL 42 10.092 1.858 -0.345
339 2HG2 VAL 42 2HG2 VAL 42 8.728 2.547 0.441
340 3HG2 VAL 42 1HG2 VAL 42 9.972 1.804 1.402
341 H PHE 43 H PHE 43 8.247 -2.241 -1.405
342 HA PHE 43 HA PHE 43 5.471 -3.113 -0.937
343 1HB PHE 43 2HB PHE 43 7.630 -4.360 -2.518
344 2HB PHE 43 1HB PHE 43 6.439 -5.385 -1.785
345 HD1 PHE 43 HD2 PHE 43 5.807 -1.907 -3.181
346 HD2 PHE 43 HD1 PHE 43 5.195 -6.100 -3.516
347 HE1 PHE 43 HE2 PHE 43 4.207 -1.523 -5.001
348 HE2 PHE 43 HE1 PHE 43 3.589 -5.716 -5.315
349 HZ PHE 43 HZ PHE 43 3.091 -3.411 -6.071
350 H ASP 44 H ASP 44 4.945 -4.814 0.160
351 HA ASP 44 HA ASP 44 5.031 -5.302 2.644
352 1HB ASP 44 2HB ASP 44 4.595 -7.820 1.725
353 2HB ASP 44 1HB ASP 44 3.546 -6.485 1.361
354 H ALA 45 H ALA 45 7.787 -4.838 2.713
355 HA ALA 45 HA ALA 45 9.478 -7.102 3.093
356 1HB ALA 45 1HB ALA 45 9.413 -4.396 4.571
357 2HB ALA 45 3HB ALA 45 10.807 -5.469 4.520
358 3HB ALA 45 2HB ALA 45 10.231 -4.701 3.050
359 H ALA 46 H ALA 46 7.153 -5.676 5.003
360 HA ALA 46 HA ALA 46 7.491 -7.400 7.382
361 1HB ALA 46 1HB ALA 46 5.553 -5.128 6.737
362 2HB ALA 46 3HB ALA 46 5.686 -5.902 8.309
363 3HB ALA 46 2HB ALA 46 7.039 -5.004 7.648
364 H LEU 47 H LEU 47 4.972 -6.996 4.884
365 HA LEU 47 HA LEU 47 3.702 -9.563 5.788
366 1HB LEU 47 2HB LEU 47 2.341 -7.236 4.376
367 2HB LEU 47 1HB LEU 47 1.560 -8.692 4.893
368 HG LEU 47 HG LEU 47 0.897 -7.149 6.469
369 1HD1 LEU 47 2HD1 LEU 47 1.661 -9.196 7.524
370 2HD1 LEU 47 1HD1 LEU 47 3.277 -8.534 7.722
371 3HD1 LEU 47 3HD1 LEU 47 1.927 -7.820 8.581
372 1HD2 LEU 47 2HD2 LEU 47 2.423 -5.334 5.906
373 2HD2 LEU 47 1HD2 LEU 47 2.380 -5.582 7.641
374 3HD2 LEU 47 3HD2 LEU 47 3.743 -6.160 6.712
375 H ASN 48 H ASN 48 5.680 -10.006 3.765
376 HA ASN 48 HA ASN 48 3.934 -10.533 1.373
377 1HB ASN 48 2HB ASN 48 5.914 -10.296 0.008
378 2HB ASN 48 1HB ASN 48 6.055 -9.111 1.256
379 1HD2 ASN 48 2HD2 ASN 48 9.066 -10.197 2.380
380 2HD2 ASN 48 1HD2 ASN 48 7.820 -9.052 2.418
381 HA PRO 49 HA PRO 49 3.515 -14.809 1.758
382 1HB PRO 49 2HB PRO 49 4.136 -15.739 -0.813
383 2HB PRO 49 1HB PRO 49 2.618 -14.970 -0.379
384 1HG PRO 49 2HG PRO 49 5.131 -13.612 -1.527
385 2HG PRO 49 1HG PRO 49 3.470 -13.503 -2.112
386 1HD PRO 49 2HD PRO 49 4.343 -11.548 -0.556
387 2HD PRO 49 1HD PRO 49 2.759 -12.239 -0.144
388 H ALA 50 H ALA 50 6.492 -14.235 0.055
389 HA ALA 50 HA ALA 50 7.808 -16.505 1.534
390 1HB ALA 50 2HB ALA 50 7.844 -16.573 -0.999
391 2HB ALA 50 1HB ALA 50 8.624 -14.993 -1.014
392 3HB ALA 50 3HB ALA 50 9.470 -16.378 -0.353
393 H LYS 51 H LYS 51 7.189 -14.411 2.867
394 HA LYS 51 HA LYS 51 8.015 -12.235 3.651
395 1HB LYS 51 2HB LYS 51 7.344 -14.060 5.193
396 2HB LYS 51 1HB LYS 51 8.984 -14.667 5.191
397 1HG LYS 51 2HG LYS 51 8.353 -13.222 7.233
398 2HG LYS 51 1HG LYS 51 9.843 -12.822 6.417
399 1HD LYS 51 2HD LYS 51 8.944 -10.903 5.302
400 2HD LYS 51 1HD LYS 51 7.281 -11.380 5.541
401 1HE LYS 51 2HE LYS 51 9.194 -10.579 7.755
402 2HE LYS 51 1HE LYS 51 8.085 -9.465 6.960
403 1HZ LYS 51 2HZ LYS 51 6.693 -11.829 7.535
404 2HZ LYS 51 1HZ LYS 51 7.402 -11.317 8.998
405 3HZ LYS 51 3HZ LYS 51 6.380 -10.282 8.093
406 H SER 52 H SER 52 9.470 -11.897 1.887
407 HA SER 52 HA SER 52 12.372 -11.805 2.549
408 1HB SER 52 2HB SER 52 12.156 -12.689 0.421
409 2HB SER 52 1HB SER 52 10.729 -11.725 0.040
410 HG SER 52 HG SER 52 13.399 -11.120 -0.246
411 H ALA 53 H ALA 53 13.543 -9.929 1.757
412 HA ALA 53 HA ALA 53 12.261 -7.263 2.380
413 1HB ALA 53 2HB ALA 53 15.078 -8.304 3.104
414 2HB ALA 53 1HB ALA 53 14.475 -6.702 3.507
415 3HB ALA 53 3HB ALA 53 13.758 -8.128 4.246
416 H ASP 54 H ASP 54 14.985 -8.873 1.088
417 HA ASP 54 HA ASP 54 16.115 -7.210 -0.792
418 1HB ASP 54 2HB ASP 54 16.798 -9.606 -1.705
419 2HB ASP 54 1HB ASP 54 17.076 -9.378 0.015
420 H LEU 55 H LEU 55 13.592 -9.615 -1.449
421 HA LEU 55 HA LEU 55 12.998 -8.727 -4.124
422 1HB LEU 55 2HB LEU 55 12.500 -10.994 -3.132
423 2HB LEU 55 1HB LEU 55 11.343 -10.282 -2.059
424 HG LEU 55 HG LEU 55 10.274 -11.471 -3.980
425 1HD1 LEU 55 2HD1 LEU 55 9.038 -9.563 -2.919
426 2HD1 LEU 55 1HD1 LEU 55 9.729 -8.459 -4.095
427 3HD1 LEU 55 3HD1 LEU 55 8.667 -9.738 -4.617
428 1HD2 LEU 55 3HD2 LEU 55 11.980 -10.946 -5.689
429 2HD2 LEU 55 2HD2 LEU 55 10.381 -10.468 -6.227
430 3HD2 LEU 55 1HD2 LEU 55 11.511 -9.252 -5.659
431 H ALA 56 H ALA 56 11.141 -8.412 -1.177
432 HA ALA 56 HA ALA 56 9.102 -6.667 -1.685
433 1HB ALA 56 1HB ALA 56 9.715 -7.515 0.561
434 2HB ALA 56 3HB ALA 56 11.077 -6.418 0.652
435 3HB ALA 56 2HB ALA 56 9.442 -5.795 0.650
436 H LYS 57 H LYS 57 12.378 -5.403 -1.156
437 HA LYS 57 HA LYS 57 11.525 -2.787 -2.320
438 1HB LYS 57 2HB LYS 57 13.902 -3.854 -0.728
439 2HB LYS 57 1HB LYS 57 14.273 -2.483 -1.729
440 1HG LYS 57 2HG LYS 57 11.818 -2.259 0.027
441 2HG LYS 57 1HG LYS 57 13.349 -2.316 0.847
442 1HD LYS 57 2HD LYS 57 12.813 0.086 0.374
443 2HD LYS 57 1HD LYS 57 14.251 -0.409 -0.469
444 1HE LYS 57 2HE LYS 57 13.144 0.806 -2.097
445 2HE LYS 57 1HE LYS 57 12.679 -0.827 -2.531
446 1HZ LYS 57 1HZ LYS 57 10.889 0.276 -0.539
447 2HZ LYS 57 3HZ LYS 57 10.978 1.260 -1.906
448 3HZ LYS 57 2HZ LYS 57 10.543 -0.348 -2.083
449 H SER 58 H SER 58 13.745 -5.362 -3.264
450 HA SER 58 HA SER 58 14.943 -4.186 -5.553
451 1HB SER 58 2HB SER 58 15.428 -6.554 -4.851
452 2HB SER 58 1HB SER 58 13.800 -7.031 -5.366
453 HG SER 58 HG SER 58 14.615 -6.990 -7.397
454 H LEU 59 H LEU 59 11.834 -5.391 -4.939
455 HA LEU 59 HA LEU 59 10.672 -4.902 -7.577
456 1HB LEU 59 2HB LEU 59 10.126 -6.894 -6.225
457 2HB LEU 59 1HB LEU 59 9.576 -5.901 -4.905
458 HG LEU 59 HG LEU 59 7.712 -5.014 -6.368
459 1HD1 LEU 59 1HD1 LEU 59 8.730 -7.176 -8.279
460 2HD1 LEU 59 3HD1 LEU 59 7.264 -6.230 -8.474
461 3HD1 LEU 59 2HD1 LEU 59 8.822 -5.448 -8.591
462 1HD2 LEU 59 2HD2 LEU 59 7.943 -8.049 -6.137
463 2HD2 LEU 59 1HD2 LEU 59 7.413 -6.976 -4.853
464 3HD2 LEU 59 3HD2 LEU 59 6.454 -7.142 -6.303
465 H SER 60 H SER 60 9.425 -3.620 -4.266
466 HA SER 60 HA SER 60 7.939 -1.614 -5.568
467 1HB SER 60 2HB SER 60 7.736 -0.734 -3.331
468 2HB SER 60 1HB SER 60 7.745 -2.489 -3.359
469 HG SER 60 HG SER 60 9.728 -2.602 -2.686
470 H HIS 61 H HIS 61 8.202 0.839 -4.713
471 HA HIS 61 HA HIS 61 10.038 2.039 -6.468
472 1HB HIS 61 2HB HIS 61 8.660 3.086 -3.968
473 2HB HIS 61 1HB HIS 61 9.612 4.140 -5.015
474 HD1 HIS 61 HD1 HIS 61 6.742 1.845 -5.252
475 HD2 HIS 61 HD2 HIS 61 8.317 4.984 -7.293
476 HE1 HIS 61 HE1 HIS 61 5.116 2.393 -7.109
477 H LYS 62 H LYS 62 11.968 2.939 -6.352
478 HA LYS 62 HA LYS 62 13.727 2.281 -3.996
479 1HB LYS 62 2HB LYS 62 14.217 2.189 -6.987
480 2HB LYS 62 1HB LYS 62 15.512 2.119 -5.807
481 1HG LYS 62 2HG LYS 62 14.716 0.089 -4.781
482 2HG LYS 62 1HG LYS 62 13.106 0.232 -5.433
483 1HD LYS 62 2HD LYS 62 15.446 -0.192 -7.335
484 2HD LYS 62 1HD LYS 62 14.856 -1.552 -6.417
485 1HE LYS 62 2HE LYS 62 13.056 0.139 -8.193
486 2HE LYS 62 1HE LYS 62 13.853 -1.339 -8.720
487 1HZ LYS 62 2HZ LYS 62 12.588 -1.875 -6.217
488 2HZ LYS 62 1HZ LYS 62 11.435 -1.201 -7.192
489 3HZ LYS 62 3HZ LYS 62 12.264 -2.539 -7.695
490 H GLN 63 H GLN 63 13.187 4.786 -6.412
491 HA GLN 63 HA GLN 63 15.048 6.512 -4.859
492 1HB GLN 63 2HB GLN 63 14.007 6.696 -7.734
493 2HB GLN 63 1HB GLN 63 15.050 7.903 -7.016
494 1HG GLN 63 2HG GLN 63 16.850 6.196 -6.648
495 2HG GLN 63 1HG GLN 63 15.795 4.915 -7.200
496 1HE2 GLN 63 2HE2 GLN 63 17.893 6.707 -9.932
497 2HE2 GLN 63 1HE2 GLN 63 18.296 6.828 -8.277
498 H LEU 64 H LEU 64 14.225 9.053 -5.053
499 HA LEU 64 HA LEU 64 11.618 9.100 -3.726
500 1HB LEU 64 2HB LEU 64 13.805 11.104 -4.280
501 2HB LEU 64 1HB LEU 64 12.319 11.581 -3.519
502 HG LEU 64 HG LEU 64 14.308 11.038 -2.017
503 1HD1 LEU 64 1HD1 LEU 64 11.946 11.229 -1.180
504 2HD1 LEU 64 3HD1 LEU 64 11.657 9.541 -1.572
505 3HD1 LEU 64 2HD1 LEU 64 12.788 9.968 -0.305
506 1HD2 LEU 64 1HD2 LEU 64 15.041 8.909 -2.982
507 2HD2 LEU 64 3HD2 LEU 64 14.604 8.719 -1.301
508 3HD2 LEU 64 2HD2 LEU 64 13.513 8.156 -2.539
509 H LEU 65 H LEU 65 9.852 8.975 -5.007
510 HA LEU 65 HA LEU 65 9.662 10.172 -7.628
511 1HB LEU 65 2HB LEU 65 8.248 8.239 -6.440
512 2HB LEU 65 1HB LEU 65 7.234 9.554 -5.920
513 HG LEU 65 HG LEU 65 6.202 8.793 -7.871
514 1HD1 LEU 65 1HD1 LEU 65 6.557 11.277 -7.968
515 2HD1 LEU 65 3HD1 LEU 65 8.010 11.017 -8.924
516 3HD1 LEU 65 2HD1 LEU 65 6.445 10.544 -9.555
517 1HD2 LEU 65 1HD2 LEU 65 8.960 8.705 -9.185
518 2HD2 LEU 65 3HD2 LEU 65 8.024 7.332 -8.626
519 3HD2 LEU 65 2HD2 LEU 65 7.451 8.285 -9.970
520 H MET 66 H MET 66 10.225 12.220 -7.516
521 HA MET 66 HA MET 66 8.588 14.272 -6.048
522 1HB MET 66 2HB MET 66 11.326 14.258 -7.259
523 2HB MET 66 1HB MET 66 10.552 15.724 -6.670
524 1HG MET 66 2HG MET 66 11.090 13.238 -4.992
525 2HG MET 66 1HG MET 66 12.072 14.675 -4.946
526 1HE MET 66 2HE MET 66 10.730 17.106 -4.685
527 2HE MET 66 1HE MET 66 10.149 17.246 -3.043
528 3HE MET 66 3HE MET 66 11.750 16.582 -3.322
529 H SER 67 H SER 67 7.799 13.072 -8.407
530 HA SER 67 HA SER 67 7.637 15.348 -10.397
531 1HB SER 67 2HB SER 67 7.174 12.440 -10.838
532 2HB SER 67 1HB SER 67 7.044 13.647 -12.121
533 HG SER 67 HG SER 67 9.364 13.979 -10.719
534 HA PRO 68 HA PRO 68 3.061 14.909 -10.302
535 1HB PRO 68 2HB PRO 68 2.434 15.734 -12.836
536 2HB PRO 68 1HB PRO 68 2.970 16.892 -11.611
537 1HG PRO 68 2HG PRO 68 4.751 15.402 -13.647
538 2HG PRO 68 1HG PRO 68 4.585 17.155 -13.486
539 1HD PRO 68 2HD PRO 68 6.601 15.919 -12.209
540 2HD PRO 68 1HD PRO 68 5.683 17.147 -11.303
541 H GLY 69 H GLY 69 1.502 13.674 -11.682
542 1HA GLY 69 2HA GLY 69 1.202 11.170 -11.761
543 2HA GLY 69 1HA GLY 69 1.001 11.906 -13.306
544 H GLN 70 H GLN 70 3.970 10.735 -11.704
545 HA GLN 70 HA GLN 70 5.022 9.587 -14.136
546 1HB GLN 70 2HB GLN 70 5.662 8.993 -11.204
547 2HB GLN 70 1HB GLN 70 6.590 8.358 -12.543
548 1HG GLN 70 2HG GLN 70 6.148 11.352 -12.240
549 2HG GLN 70 1HG GLN 70 7.522 10.530 -11.501
550 1HE2 GLN 70 2HE2 GLN 70 9.027 11.607 -14.479
551 2HE2 GLN 70 1HE2 GLN 70 8.739 12.111 -12.870
552 H SER 71 H SER 71 3.029 8.493 -14.825
553 HA SER 71 HA SER 71 2.002 6.142 -13.534
554 1HB SER 71 2HB SER 71 0.958 7.466 -15.534
555 2HB SER 71 1HB SER 71 1.904 6.359 -16.558
556 HG SER 71 HG SER 71 0.439 4.795 -15.933
557 H THR 72 H THR 72 3.808 5.103 -12.868
558 HA THR 72 HA THR 72 5.201 3.318 -14.874
559 HB THR 72 HB THR 72 6.798 4.654 -13.461
560 HG1 THR 72 HG1 THR 72 7.099 2.246 -12.270
561 1HG2 THR 72 2HG2 THR 72 5.606 3.012 -11.136
562 2HG2 THR 72 1HG2 THR 72 6.955 4.136 -11.047
563 3HG2 THR 72 3HG2 THR 72 5.332 4.733 -11.329
564 H SER 73 H SER 73 5.106 1.055 -14.496
565 HA SER 73 HA SER 73 3.005 0.259 -12.501
566 1HB SER 73 2HB SER 73 2.269 -1.464 -13.896
567 2HB SER 73 1HB SER 73 2.508 -0.088 -14.978
568 HG SER 73 HG SER 73 3.736 -2.448 -15.214
569 H THR 74 H THR 74 2.929 -1.850 -11.758
570 HA THR 74 HA THR 74 5.677 -3.005 -11.124
571 HB THR 74 HB THR 74 3.163 -3.382 -9.359
572 HG1 THR 74 HG1 THR 74 4.857 -1.282 -9.800
573 1HG2 THR 74 1HG2 THR 74 6.179 -3.383 -8.789
574 2HG2 THR 74 3HG2 THR 74 4.896 -3.815 -7.678
575 3HG2 THR 74 2HG2 THR 74 5.265 -4.869 -9.033
576 H THR 75 H THR 75 4.568 -3.652 -13.463
577 HA THR 75 HA THR 75 2.848 -5.900 -13.655
578 HB THR 75 HB THR 75 5.283 -5.575 -15.509
579 HG1 THR 75 HG1 THR 75 4.266 -3.990 -16.438
580 1HG2 THR 75 3HG2 THR 75 2.343 -6.315 -15.965
581 2HG2 THR 75 2HG2 THR 75 3.603 -6.326 -17.191
582 3HG2 THR 75 1HG2 THR 75 3.637 -7.482 -15.869
583 H PHE 76 H PHE 76 3.403 -7.118 -11.820
584 HA PHE 76 HA PHE 76 5.641 -8.445 -11.058
585 1HB PHE 76 2HB PHE 76 2.853 -9.672 -11.209
586 2HB PHE 76 1HB PHE 76 4.126 -10.195 -10.124
587 HD1 PHE 76 HD1 PHE 76 5.107 -8.422 -8.542
588 HD2 PHE 76 HD2 PHE 76 1.492 -7.839 -10.694
589 HE1 PHE 76 HE1 PHE 76 4.487 -6.613 -6.995
590 HE2 PHE 76 HE2 PHE 76 0.868 -6.051 -9.173
591 HZ PHE 76 HZ PHE 76 2.357 -5.418 -7.305
592 HA PRO 77 HA PRO 77 7.025 -10.515 -14.628
593 1HB PRO 77 2HB PRO 77 9.308 -11.692 -13.642
594 2HB PRO 77 1HB PRO 77 9.141 -9.926 -13.738
595 1HG PRO 77 2HG PRO 77 8.407 -11.763 -11.369
596 2HG PRO 77 1HG PRO 77 9.588 -10.459 -11.340
597 1HD PRO 77 2HD PRO 77 7.061 -10.043 -10.546
598 2HD PRO 77 1HD PRO 77 7.815 -8.797 -11.585
599 H ALA 78 H ALA 78 7.930 -12.614 -15.353
600 HA ALA 78 HA ALA 78 6.241 -14.588 -15.894
601 1HB ALA 78 3HB ALA 78 8.560 -14.471 -16.723
602 2HB ALA 78 2HB ALA 78 9.163 -14.963 -15.142
603 3HB ALA 78 1HB ALA 78 8.249 -16.095 -16.125
604 H ASP 79 H ASP 79 7.503 -14.489 -12.735
605 HA ASP 79 HA ASP 79 6.535 -17.125 -11.895
606 1HB ASP 79 2HB ASP 79 7.833 -16.296 -9.787
607 2HB ASP 79 1HB ASP 79 8.796 -16.364 -11.257
608 H ALA 80 H ALA 80 5.739 -13.853 -11.397
609 HA ALA 80 HA ALA 80 4.248 -12.829 -9.786
610 1HB ALA 80 3HB ALA 80 3.539 -12.680 -12.138
611 2HB ALA 80 2HB ALA 80 2.721 -14.224 -12.010
612 3HB ALA 80 1HB ALA 80 2.101 -12.841 -11.126
613 HA PRO 81 HA PRO 81 2.849 -16.624 -7.409
614 1HB PRO 81 2HB PRO 81 4.237 -16.090 -5.074
615 2HB PRO 81 1HB PRO 81 4.981 -16.919 -6.454
616 1HG PRO 81 2HG PRO 81 4.994 -13.869 -5.932
617 2HG PRO 81 1HG PRO 81 6.415 -14.918 -6.098
618 1HD PRO 81 2HD PRO 81 5.560 -13.649 -8.268
619 2HD PRO 81 1HD PRO 81 5.909 -15.374 -8.431
620 H ALA 82 H ALA 82 1.643 -16.665 -5.322
621 HA ALA 82 HA ALA 82 -0.061 -14.222 -5.129
622 1HB ALA 82 2HB ALA 82 -0.577 -17.115 -4.301
623 2HB ALA 82 1HB ALA 82 -1.747 -15.807 -4.209
624 3HB ALA 82 3HB ALA 82 -1.155 -16.332 -5.772
625 H GLY 83 H GLY 83 -1.194 -13.935 -3.134
626 1HA GLY 83 2HA GLY 83 -1.106 -14.075 -0.638
627 2HA GLY 83 1HA GLY 83 0.638 -13.830 -0.760
628 H GLU 84 H GLU 84 -1.172 -12.370 0.688
629 HA GLU 84 HA GLU 84 -2.148 -9.976 -0.244
630 1HB GLU 84 2HB GLU 84 -1.196 -11.233 2.345
631 2HB GLU 84 1HB GLU 84 -1.461 -9.519 2.450
632 1HG GLU 84 2HG GLU 84 -3.619 -11.234 1.111
633 2HG GLU 84 1HG GLU 84 -3.544 -11.178 2.864
634 H TYR 85 H TYR 85 -0.188 -9.455 -1.822
635 HA TYR 85 HA TYR 85 2.090 -8.052 -0.847
636 1HB TYR 85 2HB TYR 85 0.392 -7.300 -3.285
637 2HB TYR 85 1HB TYR 85 2.014 -6.713 -2.973
638 HD1 TYR 85 HD2 TYR 85 1.881 -10.216 -2.148
639 HD2 TYR 85 HD1 TYR 85 2.133 -7.476 -5.386
640 HE1 TYR 85 HE2 TYR 85 2.842 -11.974 -3.601
641 HE2 TYR 85 HE1 TYR 85 3.091 -9.257 -6.795
642 HH TYR 85 HH TYR 85 2.845 -12.313 -6.197
643 H THR 86 H THR 86 2.459 -6.218 0.043
644 HA THR 86 HA THR 86 0.282 -4.162 0.344
645 HB THR 86 HB THR 86 2.011 -5.175 2.651
646 HG1 THR 86 HG1 THR 86 0.329 -6.591 1.867
647 1HG2 THR 86 1HG2 THR 86 -0.518 -3.414 2.469
648 2HG2 THR 86 3HG2 THR 86 0.324 -3.846 3.938
649 3HG2 THR 86 2HG2 THR 86 1.055 -2.741 2.782
650 H PHE 87 H PHE 87 0.942 -2.386 -0.557
651 HA PHE 87 HA PHE 87 3.734 -1.585 -0.401
652 1HB PHE 87 2HB PHE 87 2.935 -0.019 -2.349
653 2HB PHE 87 1HB PHE 87 3.399 -1.698 -2.579
654 HD1 PHE 87 HD2 PHE 87 1.754 -3.408 -2.876
655 HD2 PHE 87 HD1 PHE 87 0.673 0.669 -2.589
656 HE1 PHE 87 HE2 PHE 87 -0.419 -3.946 -3.782
657 HE2 PHE 87 HE1 PHE 87 -1.508 0.188 -3.512
658 HZ PHE 87 HZ PHE 87 -2.117 -2.151 -4.133
659 H TYR 88 H TYR 88 4.270 -0.059 0.905
660 HA TYR 88 HA TYR 88 2.418 2.124 1.572
661 1HB TYR 88 2HB TYR 88 3.975 2.161 3.730
662 2HB TYR 88 1HB TYR 88 2.703 0.968 3.548
663 HD1 TYR 88 HD2 TYR 88 3.207 -1.298 2.910
664 HD2 TYR 88 HD1 TYR 88 6.369 1.483 3.452
665 HE1 TYR 88 HE2 TYR 88 4.825 -3.136 2.921
666 HE2 TYR 88 HE1 TYR 88 7.978 -0.360 3.481
667 HH TYR 88 HH TYR 88 7.739 -2.971 2.326
668 H CYS 89 H CYS 89 3.006 4.208 1.497
669 HA CYS 89 HA CYS 89 5.540 4.966 0.104
670 1HB CYS 89 2HB CYS 89 3.245 5.926 -0.502
671 2HB CYS 89 1HB CYS 89 3.303 6.682 1.061
672 H GLU 90 H GLU 90 6.758 4.256 2.072
673 HA GLU 90 HA GLU 90 7.307 4.838 4.441
674 1HB GLU 90 2HB GLU 90 9.118 5.688 2.164
675 2HB GLU 90 1HB GLU 90 9.679 5.650 3.829
676 1HG GLU 90 2HG GLU 90 8.374 3.237 2.429
677 2HG GLU 90 1HG GLU 90 10.104 3.493 2.594
678 HA PRO 91 HA PRO 91 7.963 9.607 5.040
679 1HB PRO 91 2HB PRO 91 7.163 11.245 2.976
680 2HB PRO 91 1HB PRO 91 8.818 10.643 3.131
681 1HG PRO 91 2HG PRO 91 6.516 9.369 1.510
682 2HG PRO 91 1HG PRO 91 8.109 9.819 0.916
683 1HD PRO 91 2HD PRO 91 7.738 7.285 1.643
684 2HD PRO 91 1HD PRO 91 9.213 8.082 2.235
685 H HIS 92 HN HIP 92 5.362 8.650 3.070
686 HA HIS 92 HA HIP 92 3.250 9.906 4.811
687 1HB HIS 92 2HB HIP 92 2.925 8.703 2.017
688 2HB HIS 92 1HB HIP 92 1.835 9.817 2.825
689 HD2 HIS 92 HD2 HIP 92 4.215 12.066 3.673
690 HE1 HIS 92 HE1 HIP 92 4.613 12.323 -0.478
691 HE2 HIS 92 HE2 HIP 92 5.066 13.402 1.643
692 H ARG 93 H ARG 93 4.829 7.523 5.126
693 HA ARG 93 HA ARG 93 4.360 5.050 4.974
694 1HB ARG 93 2HB ARG 93 5.567 6.310 6.863
695 2HB ARG 93 1HB ARG 93 4.095 6.358 7.747
696 1HG ARG 93 2HG ARG 93 5.238 4.450 8.662
697 2HG ARG 93 1HG ARG 93 4.095 3.715 7.565
698 1HD ARG 93 2HD ARG 93 6.362 2.712 7.240
699 2HD ARG 93 1HD ARG 93 5.892 3.568 5.797
700 HE ARG 93 HE ARG 93 7.298 5.518 6.559
701 1HH1 ARG 93 2HH1 ARG 93 7.877 5.719 8.905
702 2HH1 ARG 93 1HH1 ARG 93 9.344 4.838 9.243
703 1HH2 ARG 93 1HH2 ARG 93 8.778 2.989 6.423
704 2HH2 ARG 93 2HH2 ARG 93 9.896 3.126 7.693
705 H GLY 94 H GLY 94 2.347 5.900 7.589
706 1HA GLY 94 2HA GLY 94 0.253 3.924 6.688
707 2HA GLY 94 1HA GLY 94 0.614 4.217 8.370
708 H ALA 95 H ALA 95 0.741 7.109 7.765
709 HA ALA 95 HA ALA 95 -2.130 7.651 8.200
710 1HB ALA 95 3HB ALA 95 0.347 9.465 8.188
711 2HB ALA 95 2HB ALA 95 -1.243 9.950 8.736
712 3HB ALA 95 1HB ALA 95 -0.358 8.720 9.618
713 H GLY 96 H GLY 96 -2.229 6.699 5.919
714 1HA GLY 96 2HA GLY 96 -3.599 7.911 4.068
715 2HA GLY 96 1HA GLY 96 -2.209 8.926 3.878
716 H MET 97 H MET 97 -0.098 6.956 3.526
717 HA MET 97 HA MET 97 -1.155 5.892 0.929
718 1HB MET 97 2HB MET 97 1.560 6.688 1.808
719 2HB MET 97 1HB MET 97 1.186 6.102 0.183
720 1HG MET 97 2HG MET 97 -0.637 8.057 0.315
721 2HG MET 97 1HG MET 97 0.439 8.721 1.495
722 1HE MET 97 1HE MET 97 -0.779 9.159 -1.748
723 2HE MET 97 3HE MET 97 -0.316 10.570 -0.783
724 3HE MET 97 2HE MET 97 0.409 10.288 -2.360
725 H VAL 98 H VAL 98 -1.810 4.004 2.459
726 HA VAL 98 HA VAL 98 0.229 1.789 2.209
727 HB VAL 98 HB VAL 98 -2.128 1.933 4.081
728 1HG1 VAL 98 2HG1 VAL 98 0.134 -0.120 3.782
729 2HG1 VAL 98 1HG1 VAL 98 -1.088 -0.126 5.042
730 3HG1 VAL 98 3HG1 VAL 98 -1.551 -0.411 3.379
731 1HG2 VAL 98 1HG2 VAL 98 0.884 2.100 4.546
732 2HG2 VAL 98 3HG2 VAL 98 -0.241 3.434 4.676
733 3HG2 VAL 98 2HG2 VAL 98 -0.352 2.081 5.792
734 H GLY 99 H GLY 99 -0.324 0.668 0.192
735 1HA GLY 99 2HA GLY 99 -3.247 -0.045 -0.166
736 2HA GLY 99 1HA GLY 99 -2.186 0.292 -1.513
737 H LYS 100 H LYS 100 -3.695 -2.014 -1.260
738 HA LYS 100 HA LYS 100 -1.563 -4.077 -1.049
739 1HB LYS 100 2HB LYS 100 -4.363 -4.168 0.059
740 2HB LYS 100 1HB LYS 100 -3.381 -5.611 -0.146
741 1HG LYS 100 2HG LYS 100 -1.618 -4.661 1.248
742 2HG LYS 100 1HG LYS 100 -2.479 -3.149 1.414
743 1HD LYS 100 2HD LYS 100 -2.755 -4.688 3.422
744 2HD LYS 100 1HD LYS 100 -4.262 -4.165 2.705
745 1HE LYS 100 2HE LYS 100 -4.291 -6.549 3.273
746 2HE LYS 100 1HE LYS 100 -4.496 -6.350 1.552
747 1HZ LYS 100 1HZ LYS 100 -1.667 -6.511 2.144
748 2HZ LYS 100 3HZ LYS 100 -2.583 -7.798 2.835
749 3HZ LYS 100 2HZ LYS 100 -2.705 -7.544 1.228
750 H ILE 101 H ILE 101 -1.342 -5.570 -2.387
751 HA ILE 101 HA ILE 101 -3.285 -6.012 -4.601
752 HB ILE 101 HB ILE 101 -0.348 -5.716 -4.713
753 1HG1 ILE 101 2HG1 ILE 101 -2.760 -5.509 -6.553
754 2HG1 ILE 101 1HG1 ILE 101 -1.798 -4.198 -5.915
755 1HG2 ILE 101 2HG2 ILE 101 -1.608 -7.994 -6.317
756 2HG2 ILE 101 1HG2 ILE 101 0.023 -7.381 -6.560
757 3HG2 ILE 101 3HG2 ILE 101 -0.389 -8.207 -5.091
758 1HD1 ILE 101 3HD1 ILE 101 0.136 -4.971 -7.390
759 2HD1 ILE 101 2HD1 ILE 101 -0.889 -6.241 -8.025
760 3HD1 ILE 101 1HD1 ILE 101 -1.290 -4.580 -8.338
761 H THR 102 H THR 102 -4.080 -7.915 -4.842
762 HA THR 102 HA THR 102 -3.072 -10.366 -3.384
763 HB THR 102 HB THR 102 -5.912 -9.949 -4.448
764 HG1 THR 102 HG1 THR 102 -5.024 -9.545 -1.786
765 1HG2 THR 102 3HG2 THR 102 -4.725 -11.484 -2.071
766 2HG2 THR 102 2HG2 THR 102 -6.403 -11.493 -2.582
767 3HG2 THR 102 1HG2 THR 102 -5.169 -12.239 -3.578
768 H VAL 103 H VAL 103 -2.019 -11.696 -4.957
769 HA VAL 103 HA VAL 103 -2.647 -11.235 -7.852
770 HB VAL 103 HB VAL 103 -0.659 -13.163 -6.593
771 1HG1 VAL 103 3HG1 VAL 103 -0.976 -13.447 -9.003
772 2HG1 VAL 103 2HG1 VAL 103 -0.598 -11.737 -9.263
773 3HG1 VAL 103 1HG1 VAL 103 0.626 -12.842 -8.653
774 1HG2 VAL 103 3HG2 VAL 103 -0.127 -10.223 -7.250
775 2HG2 VAL 103 2HG2 VAL 103 -0.146 -10.940 -5.652
776 3HG2 VAL 103 1HG2 VAL 103 1.076 -11.415 -6.807
777 H ALA 104 H ALA 104 -4.679 -11.993 -6.870
778 HA ALA 104 HA ALA 104 -6.554 -13.370 -7.547
779 1HB ALA 104 3HB ALA 104 -4.984 -14.951 -8.924
780 2HB ALA 104 2HB ALA 104 -4.537 -15.734 -7.421
781 3HB ALA 104 1HB ALA 104 -6.187 -15.831 -7.991
782 H GLY 105 HN GLY 105 -4.017 -14.501 -5.586
783 1HA GLY 105 2HA GLY 105 -5.522 -14.536 -3.016
784 2HA GLY 105 1HA GLY 105 -4.444 -15.870 -3.457
No H/Q in entry = 784
Start of MODEL 10
1 1H GLU 1 2H GLU 1 -1.415 -6.579 -16.947
2 2H GLU 1 1H GLU 1 -1.531 -7.076 -18.560
3 3H GLU 1 3H GLU 1 -0.370 -5.951 -18.146
4 HA GLU 1 HA GLU 1 -1.755 -4.261 -18.472
5 1HB GLU 1 2HB GLU 1 -3.736 -6.508 -19.211
6 2HB GLU 1 1HB GLU 1 -4.059 -4.808 -19.497
7 1HG GLU 1 2HG GLU 1 -2.986 -6.080 -21.500
8 2HG GLU 1 1HG GLU 1 -2.118 -4.625 -21.037
9 H THR 2 H THR 2 -2.098 -3.243 -16.407
10 HA THR 2 HA THR 2 -4.058 -4.547 -14.670
11 HB THR 2 HB THR 2 -1.702 -4.006 -13.887
12 HG1 THR 2 HG1 THR 2 -3.255 -4.696 -12.517
13 1HG2 THR 2 2HG2 THR 2 -2.012 -1.414 -14.431
14 2HG2 THR 2 1HG2 THR 2 -3.228 -1.415 -13.171
15 3HG2 THR 2 3HG2 THR 2 -1.610 -1.808 -12.787
16 H TYR 3 H TYR 3 -4.800 -2.995 -13.089
17 HA TYR 3 HA TYR 3 -6.682 -0.900 -14.139
18 1HB TYR 3 2HB TYR 3 -6.927 -2.571 -11.552
19 2HB TYR 3 1HB TYR 3 -8.244 -1.876 -12.495
20 HD1 TYR 3 HD1 TYR 3 -7.910 -2.580 -15.151
21 HD2 TYR 3 HD2 TYR 3 -6.802 -4.977 -11.824
22 HE1 TYR 3 HE1 TYR 3 -7.994 -4.582 -16.577
23 HE2 TYR 3 HE2 TYR 3 -6.907 -6.972 -13.268
24 HH TYR 3 HH TYR 3 -8.327 -6.952 -16.266
25 H THR 4 H THR 4 -4.866 0.408 -14.141
26 HA THR 4 HA THR 4 -2.966 0.959 -12.255
27 HB THR 4 HB THR 4 -2.664 3.158 -13.452
28 HG1 THR 4 HG1 THR 4 -4.783 3.147 -15.022
29 1HG2 THR 4 3HG2 THR 4 -3.993 1.276 -15.471
30 2HG2 THR 4 2HG2 THR 4 -2.909 2.615 -15.814
31 3HG2 THR 4 1HG2 THR 4 -2.298 1.209 -14.995
32 H VAL 5 H VAL 5 -3.277 0.983 -10.263
33 HA VAL 5 HA VAL 5 -5.147 2.550 -8.826
34 HB VAL 5 HB VAL 5 -2.362 1.517 -8.038
35 1HG1 VAL 5 2HG1 VAL 5 -4.712 2.331 -6.247
36 2HG1 VAL 5 1HG1 VAL 5 -3.209 1.622 -5.689
37 3HG1 VAL 5 3HG1 VAL 5 -3.214 3.230 -6.377
38 1HG2 VAL 5 1HG2 VAL 5 -5.169 0.360 -7.638
39 2HG2 VAL 5 3HG2 VAL 5 -3.988 -0.226 -8.782
40 3HG2 VAL 5 2HG2 VAL 5 -3.684 -0.380 -7.063
41 H LYS 6 H LYS 6 -4.830 4.445 -7.569
42 HA LYS 6 HA LYS 6 -2.759 6.353 -8.588
43 1HB LYS 6 2HB LYS 6 -5.707 6.943 -7.948
44 2HB LYS 6 1HB LYS 6 -4.595 8.068 -8.674
45 1HG LYS 6 2HG LYS 6 -5.209 5.412 -10.140
46 2HG LYS 6 1HG LYS 6 -6.386 6.678 -10.172
47 1HD LYS 6 2HD LYS 6 -5.029 8.173 -11.362
48 2HD LYS 6 1HD LYS 6 -3.555 7.431 -10.884
49 1HE LYS 6 2HE LYS 6 -5.483 6.152 -12.841
50 2HE LYS 6 1HE LYS 6 -4.118 7.135 -13.341
51 1HZ LYS 6 1HZ LYS 6 -3.304 5.053 -11.470
52 2HZ LYS 6 3HZ LYS 6 -4.104 4.448 -12.817
53 3HZ LYS 6 2HZ LYS 6 -2.733 5.387 -13.022
54 H LEU 7 H LEU 7 -1.893 7.754 -6.963
55 HA LEU 7 HA LEU 7 -2.903 7.264 -4.194
56 1HB LEU 7 2HB LEU 7 -0.503 7.254 -3.450
57 2HB LEU 7 1HB LEU 7 -0.976 5.885 -4.402
58 HG LEU 7 HG LEU 7 0.301 8.169 -5.886
59 1HD1 LEU 7 3HD1 LEU 7 1.739 6.067 -4.200
60 2HD1 LEU 7 2HD1 LEU 7 2.521 7.217 -5.275
61 3HD1 LEU 7 1HD1 LEU 7 1.652 7.784 -3.841
62 1HD2 LEU 7 3HD2 LEU 7 0.572 5.113 -5.964
63 2HD2 LEU 7 2HD2 LEU 7 -0.486 6.034 -7.020
64 3HD2 LEU 7 1HD2 LEU 7 1.262 6.236 -7.128
65 H GLY 8 H GLY 8 -3.745 8.940 -3.695
66 1HA GLY 8 2HA GLY 8 -3.536 11.142 -2.583
67 2HA GLY 8 1HA GLY 8 -2.420 11.638 -3.852
68 H SER 9 H SER 9 -5.729 10.327 -3.610
69 HA SER 9 HA SER 9 -7.326 10.696 -5.482
70 1HB SER 9 2HB SER 9 -8.532 10.900 -3.544
71 2HB SER 9 1HB SER 9 -7.510 12.170 -2.886
72 HG SER 9 HG SER 9 -9.753 12.358 -4.487
73 H ASP 10 H ASP 10 -6.153 13.607 -4.379
74 HA ASP 10 HA ASP 10 -5.252 15.481 -5.611
75 1HB ASP 10 2HB ASP 10 -5.667 14.259 -7.818
76 2HB ASP 10 1HB ASP 10 -7.297 14.802 -7.805
77 H LYS 11 H LYS 11 -8.521 14.661 -5.018
78 HA LYS 11 HA LYS 11 -9.298 17.540 -4.617
79 1HB LYS 11 2HB LYS 11 -11.163 15.172 -4.873
80 2HB LYS 11 1HB LYS 11 -11.553 16.857 -5.083
81 1HG LYS 11 2HG LYS 11 -9.799 15.178 -6.942
82 2HG LYS 11 1HG LYS 11 -11.451 15.651 -7.255
83 1HD LYS 11 2HD LYS 11 -10.766 18.097 -7.186
84 2HD LYS 11 1HD LYS 11 -9.103 17.629 -6.939
85 1HE LYS 11 2HE LYS 11 -10.730 16.816 -9.386
86 2HE LYS 11 1HE LYS 11 -9.609 18.183 -9.331
87 1HZ LYS 11 2HZ LYS 11 -8.294 16.075 -8.154
88 2HZ LYS 11 1HZ LYS 11 -8.878 15.384 -9.583
89 3HZ LYS 11 3HZ LYS 11 -7.868 16.761 -9.536
90 H GLY 12 H GLY 12 -7.901 16.864 -2.554
91 1HA GLY 12 2HA GLY 12 -8.775 17.444 -0.192
92 2HA GLY 12 1HA GLY 12 -9.876 16.121 -0.385
93 H LEU 13 H LEU 13 -8.134 13.991 -1.080
94 HA LEU 13 HA LEU 13 -6.418 13.998 1.393
95 1HB LEU 13 2HB LEU 13 -8.083 11.751 0.220
96 2HB LEU 13 1HB LEU 13 -6.884 11.471 1.451
97 HG LEU 13 HG LEU 13 -8.204 13.286 2.840
98 1HD1 LEU 13 1HD1 LEU 13 -10.324 12.369 0.844
99 2HD1 LEU 13 3HD1 LEU 13 -10.613 13.312 2.292
100 3HD1 LEU 13 2HD1 LEU 13 -9.721 14.008 0.968
101 1HD2 LEU 13 2HD2 LEU 13 -9.396 10.550 2.184
102 2HD2 LEU 13 1HD2 LEU 13 -8.106 10.832 3.341
103 3HD2 LEU 13 3HD2 LEU 13 -9.707 11.472 3.641
104 H LEU 14 H LEU 14 -4.759 12.640 1.609
105 HA LEU 14 HA LEU 14 -3.099 12.086 -0.832
106 1HB LEU 14 2HB LEU 14 -2.306 12.651 2.063
107 2HB LEU 14 1HB LEU 14 -1.177 12.232 0.804
108 HG LEU 14 HG LEU 14 -2.976 14.691 0.710
109 1HD1 LEU 14 3HD1 LEU 14 -1.205 14.759 2.502
110 2HD1 LEU 14 2HD1 LEU 14 0.009 14.348 1.304
111 3HD1 LEU 14 1HD1 LEU 14 -0.840 15.880 1.204
112 1HD2 LEU 14 2HD2 LEU 14 -0.558 13.782 -0.955
113 2HD2 LEU 14 1HD2 LEU 14 -2.206 13.816 -1.540
114 3HD2 LEU 14 3HD2 LEU 14 -1.391 15.309 -1.123
115 H VAL 15 H VAL 15 -4.757 10.222 -0.670
116 HA VAL 15 HA VAL 15 -3.734 8.002 1.076
117 HB VAL 15 HB VAL 15 -6.069 9.033 1.267
118 1HG1 VAL 15 1HG1 VAL 15 -6.718 9.074 -1.094
119 2HG1 VAL 15 3HG1 VAL 15 -6.612 7.346 -1.213
120 3HG1 VAL 15 2HG1 VAL 15 -7.824 8.068 -0.191
121 1HG2 VAL 15 1HG2 VAL 15 -5.856 5.988 1.107
122 2HG2 VAL 15 3HG2 VAL 15 -5.506 7.014 2.474
123 3HG2 VAL 15 2HG2 VAL 15 -7.135 6.905 1.840
124 H PHE 16 H PHE 16 -5.121 6.056 -0.378
125 HA PHE 16 HA PHE 16 -3.730 5.753 -2.993
126 1HB PHE 16 2HB PHE 16 -3.700 4.005 -0.529
127 2HB PHE 16 1HB PHE 16 -3.845 3.151 -2.046
128 HD1 PHE 16 HD1 PHE 16 -2.069 3.298 -3.740
129 HD2 PHE 16 HD2 PHE 16 -1.694 5.188 0.033
130 HE1 PHE 16 HE1 PHE 16 0.349 3.556 -4.122
131 HE2 PHE 16 HE2 PHE 16 0.740 5.454 -0.345
132 HZ PHE 16 HZ PHE 16 1.738 4.649 -2.406
133 H GLU 17 H GLU 17 -5.397 5.884 -4.410
134 HA GLU 17 HA GLU 17 -7.927 4.473 -3.745
135 1HB GLU 17 2HB GLU 17 -8.661 6.048 -5.836
136 2HB GLU 17 1HB GLU 17 -8.666 6.576 -4.171
137 1HG GLU 17 2HG GLU 17 -6.146 7.020 -5.819
138 2HG GLU 17 1HG GLU 17 -7.486 8.130 -5.965
139 HA PRO 18 HA PRO 18 -9.548 3.447 -4.340
140 1HB PRO 18 2HB PRO 18 -10.746 1.170 -4.900
141 2HB PRO 18 1HB PRO 18 -10.716 2.464 -6.109
142 1HG PRO 18 2HG PRO 18 -8.827 0.041 -5.875
143 2HG PRO 18 1HG PRO 18 -9.720 0.564 -7.300
144 1HD PRO 18 2HD PRO 18 -7.070 1.325 -6.842
145 2HD PRO 18 1HD PRO 18 -8.191 2.334 -7.771
146 H ALA 19 H ALA 19 -6.866 2.606 -3.526
147 HA ALA 19 HA ALA 19 -5.746 1.741 -1.700
148 1HB ALA 19 1HB ALA 19 -7.612 2.775 -0.486
149 2HB ALA 19 3HB ALA 19 -8.602 1.341 -0.680
150 3HB ALA 19 2HB ALA 19 -7.160 1.284 0.319
151 H LYS 20 H LYS 20 -8.399 -0.412 -2.243
152 HA LYS 20 HA LYS 20 -6.613 -2.799 -1.920
153 1HB LYS 20 2HB LYS 20 -9.139 -2.066 -0.767
154 2HB LYS 20 1HB LYS 20 -9.422 -3.500 -1.707
155 1HG LYS 20 2HG LYS 20 -7.002 -3.371 0.155
156 2HG LYS 20 1HG LYS 20 -8.584 -3.646 0.830
157 1HD LYS 20 2HD LYS 20 -7.394 -5.815 0.369
158 2HD LYS 20 1HD LYS 20 -8.909 -5.696 -0.491
159 1HE LYS 20 2HE LYS 20 -7.751 -5.217 -2.581
160 2HE LYS 20 1HE LYS 20 -6.203 -5.116 -1.736
161 1HZ LYS 20 2HZ LYS 20 -7.338 -7.537 -0.952
162 2HZ LYS 20 1HZ LYS 20 -7.473 -7.504 -2.660
163 3HZ LYS 20 3HZ LYS 20 -6.037 -7.332 -1.827
164 H LEU 21 H LEU 21 -5.968 -3.444 -3.824
165 HA LEU 21 HA LEU 21 -7.907 -3.771 -6.110
166 1HB LEU 21 2HB LEU 21 -5.784 -2.275 -6.270
167 2HB LEU 21 1HB LEU 21 -4.908 -3.762 -6.281
168 HG LEU 21 HG LEU 21 -6.711 -2.643 -8.451
169 1HD1 LEU 21 3HD1 LEU 21 -3.987 -3.963 -8.435
170 2HD1 LEU 21 2HD1 LEU 21 -4.790 -3.414 -9.886
171 3HD1 LEU 21 1HD1 LEU 21 -4.318 -2.278 -8.643
172 1HD2 LEU 21 3HD2 LEU 21 -6.077 -5.624 -8.300
173 2HD2 LEU 21 2HD2 LEU 21 -7.675 -4.916 -8.324
174 3HD2 LEU 21 1HD2 LEU 21 -6.661 -4.815 -9.714
175 H THR 22 H THR 22 -8.319 -5.822 -6.880
176 HA THR 22 HA THR 22 -6.563 -8.090 -5.939
177 HB THR 22 HB THR 22 -9.535 -8.075 -6.687
178 HG1 THR 22 HG1 THR 22 -9.079 -9.271 -4.545
179 1HG2 THR 22 1HG2 THR 22 -7.677 -10.389 -5.818
180 2HG2 THR 22 3HG2 THR 22 -9.395 -10.516 -6.179
181 3HG2 THR 22 2HG2 THR 22 -8.246 -10.210 -7.460
182 H ILE 23 H ILE 23 -5.084 -7.999 -7.558
183 HA ILE 23 HA ILE 23 -5.805 -7.859 -10.384
184 HB ILE 23 HB ILE 23 -3.274 -7.582 -10.770
185 1HG1 ILE 23 2HG1 ILE 23 -2.693 -7.605 -7.880
186 2HG1 ILE 23 1HG1 ILE 23 -2.936 -9.168 -8.584
187 1HG2 ILE 23 3HG2 ILE 23 -4.664 -5.679 -10.203
188 2HG2 ILE 23 2HG2 ILE 23 -4.171 -5.929 -8.524
189 3HG2 ILE 23 1HG2 ILE 23 -2.988 -5.553 -9.772
190 1HD1 ILE 23 2HD1 ILE 23 -1.078 -7.068 -9.761
191 2HD1 ILE 23 1HD1 ILE 23 -0.570 -8.483 -8.843
192 3HD1 ILE 23 3HD1 ILE 23 -1.350 -8.672 -10.401
193 H LYS 24 H LYS 24 -3.462 -9.221 -11.290
194 HA LYS 24 HA LYS 24 -4.461 -11.931 -10.875
195 1HB LYS 24 2HB LYS 24 -2.920 -10.797 -13.278
196 2HB LYS 24 1HB LYS 24 -3.538 -12.429 -13.212
197 1HG LYS 24 2HG LYS 24 -5.366 -11.442 -14.297
198 2HG LYS 24 1HG LYS 24 -5.864 -11.192 -12.648
199 1HD LYS 24 2HD LYS 24 -6.069 -8.979 -13.283
200 2HD LYS 24 1HD LYS 24 -4.351 -8.892 -12.969
201 1HE LYS 24 2HE LYS 24 -3.851 -9.363 -15.326
202 2HE LYS 24 1HE LYS 24 -5.580 -9.434 -15.683
203 1HZ LYS 24 1HZ LYS 24 -4.901 -7.095 -14.142
204 2HZ LYS 24 3HZ LYS 24 -4.011 -7.100 -15.498
205 3HZ LYS 24 2HZ LYS 24 -5.703 -7.170 -15.612
206 HA PRO 25 HA PRO 25 -0.254 -13.623 -9.686
207 1HB PRO 25 2HB PRO 25 0.043 -15.519 -11.735
208 2HB PRO 25 1HB PRO 25 -0.773 -15.780 -10.205
209 1HG PRO 25 2HG PRO 25 -2.035 -14.845 -12.845
210 2HG PRO 25 1HG PRO 25 -2.540 -16.188 -11.799
211 1HD PRO 25 2HD PRO 25 -3.869 -13.960 -11.428
212 2HD PRO 25 1HD PRO 25 -3.125 -14.702 -9.992
213 H GLY 26 H GLY 26 0.220 -11.189 -10.703
214 1HA GLY 26 2HA GLY 26 2.479 -10.387 -11.474
215 2HA GLY 26 1HA GLY 26 2.451 -11.638 -12.706
216 H ASP 27 H ASP 27 0.587 -8.798 -11.718
217 HA ASP 27 HA ASP 27 -0.103 -8.362 -14.584
218 1HB ASP 27 2HB ASP 27 -1.827 -8.520 -12.651
219 2HB ASP 27 1HB ASP 27 -1.242 -6.957 -12.121
220 H THR 28 H THR 28 -0.602 -5.813 -14.649
221 HA THR 28 HA THR 28 1.967 -4.387 -14.838
222 HB THR 28 HB THR 28 -0.685 -3.756 -15.921
223 HG1 THR 28 HG1 THR 28 1.560 -5.267 -16.767
224 1HG2 THR 28 2HG2 THR 28 2.199 -3.149 -16.859
225 2HG2 THR 28 1HG2 THR 28 0.758 -2.604 -17.707
226 3HG2 THR 28 3HG2 THR 28 1.164 -1.948 -16.134
227 H VAL 29 H VAL 29 0.969 -4.509 -12.476
228 HA VAL 29 HA VAL 29 -0.715 -2.571 -11.321
229 HB VAL 29 HB VAL 29 1.978 -3.276 -10.102
230 1HG1 VAL 29 3HG1 VAL 29 0.456 -1.661 -8.884
231 2HG1 VAL 29 2HG1 VAL 29 -0.802 -2.873 -8.864
232 3HG1 VAL 29 1HG1 VAL 29 0.689 -3.126 -7.966
233 1HG2 VAL 29 3HG2 VAL 29 -0.547 -4.999 -10.164
234 2HG2 VAL 29 2HG2 VAL 29 0.982 -5.426 -10.897
235 3HG2 VAL 29 1HG2 VAL 29 0.855 -5.354 -9.160
236 H GLU 30 H GLU 30 -0.904 -0.571 -11.794
237 HA GLU 30 HA GLU 30 1.533 1.019 -11.962
238 1HB GLU 30 2HB GLU 30 0.160 1.335 -13.951
239 2HB GLU 30 1HB GLU 30 -1.265 1.532 -12.994
240 1HG GLU 30 2HG GLU 30 -0.211 3.739 -12.028
241 2HG GLU 30 1HG GLU 30 1.121 3.468 -13.130
242 H PHE 31 H PHE 31 1.976 2.583 -10.872
243 HA PHE 31 HA PHE 31 0.365 3.395 -8.454
244 1HB PHE 31 2HB PHE 31 3.354 3.315 -8.830
245 2HB PHE 31 1HB PHE 31 2.555 3.950 -7.413
246 HD1 PHE 31 HD1 PHE 31 2.811 0.826 -9.487
247 HD2 PHE 31 HD2 PHE 31 1.945 2.520 -5.685
248 HE1 PHE 31 HE1 PHE 31 2.686 -1.413 -8.523
249 HE2 PHE 31 HE2 PHE 31 1.817 0.260 -4.709
250 HZ PHE 31 HZ PHE 31 2.181 -1.697 -6.113
251 H LEU 32 H LEU 32 -0.719 5.243 -9.539
252 HA LEU 32 HA LEU 32 0.990 7.268 -10.763
253 1HB LEU 32 2HB LEU 32 -1.350 6.690 -11.531
254 2HB LEU 32 1HB LEU 32 -1.897 7.461 -10.038
255 HG LEU 32 HG LEU 32 -0.029 9.114 -11.753
256 1HD1 LEU 32 3HD1 LEU 32 -1.605 8.142 -13.436
257 2HD1 LEU 32 2HD1 LEU 32 -2.967 8.787 -12.515
258 3HD1 LEU 32 1HD1 LEU 32 -1.794 9.868 -13.224
259 1HD2 LEU 32 3HD2 LEU 32 -2.672 9.771 -10.334
260 2HD2 LEU 32 2HD2 LEU 32 -1.075 10.027 -9.658
261 3HD2 LEU 32 1HD2 LEU 32 -1.570 10.919 -11.067
262 H ASN 33 H ASN 33 2.252 8.199 -9.514
263 HA ASN 33 HA ASN 33 1.913 9.168 -6.820
264 1HB ASN 33 2HB ASN 33 3.992 9.396 -9.021
265 2HB ASN 33 1HB ASN 33 4.197 10.378 -7.593
266 1HD2 ASN 33 2HD2 ASN 33 5.692 7.628 -6.054
267 2HD2 ASN 33 1HD2 ASN 33 5.833 9.287 -6.414
268 H ASN 34 H ASN 34 0.116 10.574 -6.705
269 HA ASN 34 HA ASN 34 0.276 13.105 -8.287
270 1HB ASN 34 2HB ASN 34 -1.754 11.523 -8.336
271 2HB ASN 34 1HB ASN 34 -2.069 11.989 -6.675
272 1HD2 ASN 34 2HD2 ASN 34 -3.775 14.733 -7.930
273 2HD2 ASN 34 1HD2 ASN 34 -3.748 13.477 -6.765
274 H LYS 35 H LYS 35 -1.520 14.484 -6.372
275 HA LYS 35 HA LYS 35 -0.237 16.361 -5.095
276 1HB LYS 35 2HB LYS 35 -2.249 14.544 -3.752
277 2HB LYS 35 1HB LYS 35 -1.767 16.050 -3.025
278 1HG LYS 35 2HG LYS 35 -3.130 15.763 -5.733
279 2HG LYS 35 1HG LYS 35 -3.919 16.220 -4.232
280 1HD LYS 35 2HD LYS 35 -2.127 18.193 -4.152
281 2HD LYS 35 1HD LYS 35 -1.914 17.862 -5.859
282 1HE LYS 35 2HE LYS 35 -4.502 18.751 -4.498
283 2HE LYS 35 1HE LYS 35 -3.517 19.704 -5.601
284 1HZ LYS 35 1HZ LYS 35 -4.106 17.192 -6.807
285 2HZ LYS 35 3HZ LYS 35 -5.547 17.843 -6.309
286 3HZ LYS 35 2HZ LYS 35 -4.589 18.628 -7.387
287 H VAL 36 H VAL 36 1.113 16.943 -3.532
288 HA VAL 36 HA VAL 36 3.114 16.713 -2.256
289 HB VAL 36 HB VAL 36 1.119 15.172 -0.565
290 1HG1 VAL 36 2HG1 VAL 36 3.471 16.975 0.205
291 2HG1 VAL 36 1HG1 VAL 36 2.360 16.221 1.333
292 3HG1 VAL 36 3HG1 VAL 36 3.433 15.232 0.370
293 1HG2 VAL 36 2HG2 VAL 36 1.557 18.199 -0.823
294 2HG2 VAL 36 1HG2 VAL 36 0.127 17.336 -1.377
295 3HG2 VAL 36 3HG2 VAL 36 0.487 17.431 0.331
296 HA PRO 37 HA PRO 37 4.922 12.582 -3.408
297 1HB PRO 37 2HB PRO 37 7.030 14.156 -4.522
298 2HB PRO 37 1HB PRO 37 5.757 13.344 -5.446
299 1HG PRO 37 2HG PRO 37 5.740 16.204 -4.330
300 2HG PRO 37 1HG PRO 37 5.414 15.697 -5.996
301 1HD PRO 37 2HD PRO 37 3.324 16.112 -4.459
302 2HD PRO 37 1HD PRO 37 3.345 14.542 -5.291
303 HA PRO 38 HA PRO 38 7.227 12.005 -3.988
304 1HB PRO 38 2HB PRO 38 9.578 11.187 -3.540
305 2HB PRO 38 1HB PRO 38 9.247 12.920 -3.755
306 1HG PRO 38 2HG PRO 38 9.757 11.367 -1.144
307 2HG PRO 38 1HG PRO 38 10.412 12.942 -1.576
308 1HD PRO 38 2HD PRO 38 7.986 12.470 -0.076
309 2HD PRO 38 1HD PRO 38 8.486 14.033 -0.743
310 H HIS 39 HN HIP 39 5.655 10.781 -3.522
311 HA HIS 39 HA HIP 39 5.379 8.645 -1.669
312 1HB HIS 39 2HB HIP 39 4.197 8.506 -4.495
313 2HB HIS 39 1HB HIP 39 3.535 7.833 -3.036
314 HD2 HIS 39 HD2 HIP 39 3.187 10.824 -5.279
315 HE1 HIS 39 HE1 HIP 39 1.426 11.984 -1.699
316 HE2 HIS 39 HE2 HIP 39 1.747 12.494 -4.040
317 H ASN 40 H ASN 40 7.565 7.557 -1.614
318 HA ASN 40 HA ASN 40 7.990 5.696 -3.894
319 1HB ASN 40 2HB ASN 40 9.997 6.944 -2.785
320 2HB ASN 40 1HB ASN 40 9.599 6.103 -1.311
321 1HD2 ASN 40 2HD2 ASN 40 11.709 4.169 -3.956
322 2HD2 ASN 40 1HD2 ASN 40 11.449 5.849 -4.084
323 H VAL 41 H VAL 41 6.759 3.781 -3.735
324 HA VAL 41 HA VAL 41 5.911 3.044 -0.985
325 HB VAL 41 HB VAL 41 4.539 1.343 -2.035
326 1HG1 VAL 41 2HG1 VAL 41 3.602 3.550 -1.439
327 2HG1 VAL 41 1HG1 VAL 41 4.109 4.213 -2.990
328 3HG1 VAL 41 3HG1 VAL 41 2.862 2.971 -2.923
329 1HG2 VAL 41 1HG2 VAL 41 5.727 1.180 -4.281
330 2HG2 VAL 41 3HG2 VAL 41 4.033 1.549 -4.493
331 3HG2 VAL 41 2HG2 VAL 41 5.219 2.820 -4.632
332 H VAL 42 H VAL 42 6.769 1.684 0.080
333 HA VAL 42 HA VAL 42 8.875 -0.025 -0.982
334 HB VAL 42 HB VAL 42 7.695 0.282 1.770
335 1HG1 VAL 42 1HG1 VAL 42 9.115 -1.745 1.601
336 2HG1 VAL 42 3HG1 VAL 42 10.433 -0.770 0.954
337 3HG1 VAL 42 2HG1 VAL 42 9.879 -0.532 2.602
338 1HG2 VAL 42 1HG2 VAL 42 10.096 1.699 0.467
339 2HG2 VAL 42 3HG2 VAL 42 8.588 2.463 0.894
340 3HG2 VAL 42 2HG2 VAL 42 9.652 1.879 2.149
341 H PHE 43 H PHE 43 8.777 -2.105 -1.235
342 HA PHE 43 HA PHE 43 6.140 -3.572 -1.083
343 1HB PHE 43 2HB PHE 43 8.492 -3.916 -2.893
344 2HB PHE 43 1HB PHE 43 7.456 -5.266 -2.603
345 HD1 PHE 43 HD1 PHE 43 6.770 -1.585 -3.278
346 HD2 PHE 43 HD2 PHE 43 6.055 -5.642 -4.382
347 HE1 PHE 43 HE1 PHE 43 5.276 -0.849 -5.065
348 HE2 PHE 43 HE2 PHE 43 4.565 -4.886 -6.161
349 HZ PHE 43 HZ PHE 43 4.174 -2.484 -6.503
350 H ASP 44 H ASP 44 6.690 -3.658 1.199
351 HA ASP 44 HA ASP 44 8.515 -4.700 2.726
352 1HB ASP 44 2HB ASP 44 5.998 -4.056 3.075
353 2HB ASP 44 1HB ASP 44 5.721 -5.791 2.998
354 H ALA 45 H ALA 45 9.292 -6.416 3.649
355 HA ALA 45 HA ALA 45 9.500 -8.872 2.060
356 1HB ALA 45 3HB ALA 45 11.557 -7.654 2.626
357 2HB ALA 45 2HB ALA 45 11.200 -7.775 4.342
358 3HB ALA 45 1HB ALA 45 11.583 -9.225 3.421
359 H ALA 46 H ALA 46 7.974 -7.909 4.854
360 HA ALA 46 HA ALA 46 7.685 -10.660 5.961
361 1HB ALA 46 1HB ALA 46 7.264 -7.887 7.175
362 2HB ALA 46 3HB ALA 46 7.071 -9.388 8.071
363 3HB ALA 46 2HB ALA 46 8.652 -8.920 7.459
364 H LEU 47 H LEU 47 5.871 -7.793 5.156
365 HA LEU 47 HA LEU 47 3.227 -8.983 5.487
366 1HB LEU 47 2HB LEU 47 4.330 -6.319 4.563
367 2HB LEU 47 1HB LEU 47 2.635 -6.650 4.336
368 HG LEU 47 HG LEU 47 3.117 -5.343 6.397
369 1HD1 LEU 47 1HD1 LEU 47 1.116 -6.825 6.286
370 2HD1 LEU 47 3HD1 LEU 47 2.043 -8.157 6.946
371 3HD1 LEU 47 2HD1 LEU 47 1.741 -6.736 7.922
372 1HD2 LEU 47 1HD2 LEU 47 5.299 -6.344 6.936
373 2HD2 LEU 47 3HD2 LEU 47 4.212 -6.431 8.310
374 3HD2 LEU 47 2HD2 LEU 47 4.523 -7.866 7.355
375 H ASN 48 H ASN 48 4.588 -10.500 3.742
376 HA ASN 48 HA ASN 48 2.848 -10.404 1.321
377 1HB ASN 48 2HB ASN 48 4.861 -10.807 -0.167
378 2HB ASN 48 1HB ASN 48 5.183 -9.404 0.823
379 1HD2 ASN 48 2HD2 ASN 48 8.142 -10.852 1.896
380 2HD2 ASN 48 1HD2 ASN 48 7.334 -9.434 1.426
381 HA PRO 49 HA PRO 49 1.988 -14.716 1.954
382 1HB PRO 49 2HB PRO 49 3.112 -15.998 -0.307
383 2HB PRO 49 1HB PRO 49 1.523 -15.256 -0.230
384 1HG PRO 49 2HG PRO 49 4.151 -13.906 -1.072
385 2HG PRO 49 1HG PRO 49 2.635 -13.966 -1.976
386 1HD PRO 49 2HD PRO 49 3.083 -11.788 -0.560
387 2HD PRO 49 1HD PRO 49 1.521 -12.577 -0.241
388 H ALA 50 H ALA 50 5.067 -15.236 0.435
389 HA ALA 50 HA ALA 50 6.008 -16.925 2.705
390 1HB ALA 50 3HB ALA 50 5.887 -17.957 0.461
391 2HB ALA 50 2HB ALA 50 6.928 -16.693 -0.187
392 3HB ALA 50 1HB ALA 50 7.563 -17.833 0.976
393 H LYS 51 H LYS 51 6.182 -14.377 3.310
394 HA LYS 51 HA LYS 51 7.698 -12.467 3.516
395 1HB LYS 51 2HB LYS 51 9.215 -13.682 5.549
396 2HB LYS 51 1HB LYS 51 7.718 -12.874 5.774
397 1HG LYS 51 2HG LYS 51 8.121 -15.864 5.219
398 2HG LYS 51 1HG LYS 51 7.873 -15.215 6.815
399 1HD LYS 51 2HD LYS 51 5.834 -15.624 4.588
400 2HD LYS 51 1HD LYS 51 5.715 -15.980 6.273
401 1HE LYS 51 2HE LYS 51 5.391 -13.658 6.899
402 2HE LYS 51 1HE LYS 51 5.698 -13.132 5.249
403 1HZ LYS 51 1HZ LYS 51 3.788 -15.127 5.000
404 2HZ LYS 51 3HZ LYS 51 3.206 -14.091 6.239
405 3HZ LYS 51 2HZ LYS 51 3.672 -13.518 4.706
406 H SER 52 H SER 52 8.658 -12.983 1.377
407 HA SER 52 HA SER 52 11.594 -13.616 1.545
408 1HB SER 52 2HB SER 52 11.601 -13.690 -0.917
409 2HB SER 52 1HB SER 52 10.162 -14.570 -0.400
410 HG SER 52 HG SER 52 9.519 -11.964 -0.453
411 H ALA 53 H ALA 53 13.144 -12.141 0.774
412 HA ALA 53 HA ALA 53 12.259 -9.268 1.000
413 1HB ALA 53 2HB ALA 53 14.001 -10.136 2.617
414 2HB ALA 53 1HB ALA 53 15.033 -10.566 1.268
415 3HB ALA 53 3HB ALA 53 14.671 -8.872 1.603
416 H ASP 54 H ASP 54 14.262 -11.381 -0.718
417 HA ASP 54 HA ASP 54 15.473 -10.177 -2.840
418 1HB ASP 54 2HB ASP 54 14.004 -12.843 -2.734
419 2HB ASP 54 1HB ASP 54 15.460 -12.486 -3.665
420 H LEU 55 H LEU 55 12.164 -11.415 -3.499
421 HA LEU 55 HA LEU 55 11.989 -9.792 -5.940
422 1HB LEU 55 2HB LEU 55 10.696 -11.928 -5.599
423 2HB LEU 55 1HB LEU 55 9.805 -11.209 -4.283
424 HG LEU 55 HG LEU 55 8.502 -11.359 -6.409
425 1HD1 LEU 55 3HD1 LEU 55 7.938 -9.483 -4.828
426 2HD1 LEU 55 2HD1 LEU 55 9.020 -8.421 -5.702
427 3HD1 LEU 55 1HD1 LEU 55 7.625 -9.077 -6.501
428 1HD2 LEU 55 3HD2 LEU 55 10.565 -9.402 -7.490
429 2HD2 LEU 55 2HD2 LEU 55 10.343 -11.066 -7.996
430 3HD2 LEU 55 1HD2 LEU 55 9.089 -9.878 -8.303
431 H ALA 56 H ALA 56 10.397 -9.679 -2.847
432 HA ALA 56 HA ALA 56 8.944 -7.392 -2.728
433 1HB ALA 56 3HB ALA 56 10.926 -8.447 -0.626
434 2HB ALA 56 2HB ALA 56 9.597 -7.394 -0.274
435 3HB ALA 56 1HB ALA 56 9.289 -9.000 -0.857
436 H LYS 57 H LYS 57 12.415 -7.256 -2.124
437 HA LYS 57 HA LYS 57 12.500 -4.379 -2.099
438 1HB LYS 57 2HB LYS 57 14.849 -6.282 -2.873
439 2HB LYS 57 1HB LYS 57 15.069 -4.697 -2.183
440 1HG LYS 57 2HG LYS 57 14.536 -5.368 0.013
441 2HG LYS 57 1HG LYS 57 13.747 -6.828 -0.480
442 1HD LYS 57 2HD LYS 57 16.787 -6.249 -0.600
443 2HD LYS 57 1HD LYS 57 16.001 -7.391 0.465
444 1HE LYS 57 2HE LYS 57 15.129 -8.466 -1.819
445 2HE LYS 57 1HE LYS 57 16.493 -7.638 -2.494
446 1HZ LYS 57 2HZ LYS 57 17.426 -8.944 -0.135
447 2HZ LYS 57 1HZ LYS 57 16.578 -10.089 -1.006
448 3HZ LYS 57 3HZ LYS 57 17.821 -9.351 -1.740
449 H SER 58 H SER 58 13.386 -6.584 -4.638
450 HA SER 58 HA SER 58 14.270 -4.813 -6.622
451 1HB SER 58 2HB SER 58 12.411 -7.225 -6.962
452 2HB SER 58 1HB SER 58 13.416 -6.487 -8.233
453 HG SER 58 HG SER 58 14.227 -7.943 -5.964
454 H LEU 59 H LEU 59 11.022 -5.780 -5.941
455 HA LEU 59 HA LEU 59 9.692 -3.863 -7.661
456 1HB LEU 59 2HB LEU 59 8.805 -5.774 -5.475
457 2HB LEU 59 1HB LEU 59 7.678 -4.636 -6.175
458 HG LEU 59 HG LEU 59 7.603 -6.937 -7.229
459 1HD1 LEU 59 3HD1 LEU 59 6.768 -4.912 -8.398
460 2HD1 LEU 59 2HD1 LEU 59 8.361 -4.616 -9.068
461 3HD1 LEU 59 1HD1 LEU 59 7.464 -6.044 -9.537
462 1HD2 LEU 59 1HD2 LEU 59 10.082 -7.329 -7.264
463 2HD2 LEU 59 3HD2 LEU 59 9.373 -7.490 -8.863
464 3HD2 LEU 59 2HD2 LEU 59 10.258 -6.039 -8.443
465 H SER 60 H SER 60 10.262 -3.906 -4.083
466 HA SER 60 HA SER 60 8.861 -1.655 -3.313
467 1HB SER 60 2HB SER 60 10.290 -3.301 -1.833
468 2HB SER 60 1HB SER 60 11.715 -2.501 -2.511
469 HG SER 60 HG SER 60 11.344 -0.876 -1.160
470 H HIS 61 H HIS 61 8.771 0.271 -4.295
471 HA HIS 61 HA HIS 61 10.401 1.379 -6.171
472 1HB HIS 61 2HB HIS 61 8.906 2.655 -3.851
473 2HB HIS 61 1HB HIS 61 9.640 3.661 -5.105
474 HD1 HIS 61 HD1 HIS 61 7.182 4.252 -5.835
475 HD2 HIS 61 HD2 HIS 61 8.048 0.296 -6.342
476 HE1 HIS 61 HE1 HIS 61 5.403 3.310 -7.281
477 H LYS 62 H LYS 62 11.045 1.931 -2.790
478 HA LYS 62 HA LYS 62 13.211 1.661 -1.696
479 1HB LYS 62 2HB LYS 62 14.375 2.837 -4.283
480 2HB LYS 62 1HB LYS 62 15.284 2.507 -2.833
481 1HG LYS 62 2HG LYS 62 15.271 0.229 -3.064
482 2HG LYS 62 1HG LYS 62 13.627 0.160 -3.617
483 1HD LYS 62 2HD LYS 62 14.625 1.122 -5.921
484 2HD LYS 62 1HD LYS 62 16.177 0.698 -5.258
485 1HE LYS 62 2HE LYS 62 15.429 -1.155 -6.662
486 2HE LYS 62 1HE LYS 62 15.333 -1.693 -4.983
487 1HZ LYS 62 3HZ LYS 62 12.927 -0.367 -5.618
488 2HZ LYS 62 2HZ LYS 62 13.139 -1.568 -6.811
489 3HZ LYS 62 1HZ LYS 62 13.092 -1.966 -5.214
490 H GLN 63 H GLN 63 13.789 4.712 -3.441
491 HA GLN 63 HA GLN 63 13.280 6.075 -0.844
492 1HB GLN 63 2HB GLN 63 15.805 5.477 -1.658
493 2HB GLN 63 1HB GLN 63 15.622 6.998 -2.506
494 1HG GLN 63 2HG GLN 63 16.570 7.596 -0.347
495 2HG GLN 63 1HG GLN 63 14.875 7.982 -0.147
496 1HE2 GLN 63 2HE2 GLN 63 14.561 5.698 2.456
497 2HE2 GLN 63 1HE2 GLN 63 13.879 7.007 1.603
498 H LEU 64 H LEU 64 13.228 8.418 -0.959
499 HA LEU 64 HA LEU 64 11.442 9.912 -1.753
500 1HB LEU 64 2HB LEU 64 13.133 11.682 -2.782
501 2HB LEU 64 1HB LEU 64 13.320 11.124 -1.137
502 HG LEU 64 HG LEU 64 15.105 9.532 -1.869
503 1HD1 LEU 64 1HD1 LEU 64 14.741 10.871 -4.583
504 2HD1 LEU 64 3HD1 LEU 64 16.013 9.732 -4.175
505 3HD1 LEU 64 2HD1 LEU 64 14.344 9.203 -4.234
506 1HD2 LEU 64 2HD2 LEU 64 15.676 11.849 -1.164
507 2HD2 LEU 64 1HD2 LEU 64 16.781 11.285 -2.407
508 3HD2 LEU 64 3HD2 LEU 64 15.489 12.400 -2.821
509 H LEU 65 H LEU 65 10.159 8.674 -3.255
510 HA LEU 65 HA LEU 65 10.806 8.897 -6.117
511 1HB LEU 65 2HB LEU 65 9.595 6.968 -5.122
512 2HB LEU 65 1HB LEU 65 8.215 8.003 -4.806
513 HG LEU 65 HG LEU 65 7.873 8.371 -7.245
514 1HD1 LEU 65 3HD1 LEU 65 10.314 6.547 -7.574
515 2HD1 LEU 65 2HD1 LEU 65 9.302 7.148 -8.870
516 3HD1 LEU 65 1HD1 LEU 65 10.304 8.254 -7.971
517 1HD2 LEU 65 2HD2 LEU 65 6.948 6.265 -6.215
518 2HD2 LEU 65 1HD2 LEU 65 7.387 6.047 -7.894
519 3HD2 LEU 65 3HD2 LEU 65 8.453 5.449 -6.637
520 H MET 66 H MET 66 11.062 11.091 -6.194
521 HA MET 66 HA MET 66 8.842 13.019 -6.154
522 1HB MET 66 2HB MET 66 11.593 13.155 -7.271
523 2HB MET 66 1HB MET 66 10.501 14.520 -7.097
524 1HG MET 66 2HG MET 66 10.542 14.242 -4.612
525 2HG MET 66 1HG MET 66 11.573 12.836 -4.771
526 1HE MET 66 3HE MET 66 11.342 16.534 -5.941
527 2HE MET 66 2HE MET 66 11.346 16.581 -4.159
528 3HE MET 66 1HE MET 66 12.695 17.226 -5.079
529 H SER 67 H SER 67 7.830 11.495 -7.551
530 HA SER 67 HA SER 67 8.062 12.071 -10.525
531 1HB SER 67 2HB SER 67 8.234 9.658 -9.743
532 2HB SER 67 1HB SER 67 6.492 9.742 -9.397
533 HG SER 67 HG SER 67 6.191 9.700 -11.521
534 HA PRO 68 HA PRO 68 4.321 14.250 -8.918
535 1HB PRO 68 2HB PRO 68 4.725 16.704 -9.931
536 2HB PRO 68 1HB PRO 68 5.842 16.088 -8.698
537 1HG PRO 68 2HG PRO 68 6.139 15.856 -11.760
538 2HG PRO 68 1HG PRO 68 7.275 16.650 -10.665
539 1HD PRO 68 2HD PRO 68 7.653 14.047 -11.367
540 2HD PRO 68 1HD PRO 68 7.946 14.556 -9.688
541 H GLY 69 H GLY 69 3.028 12.732 -10.230
542 1HA GLY 69 2HA GLY 69 0.966 12.927 -11.596
543 2HA GLY 69 1HA GLY 69 1.748 14.147 -12.578
544 H GLN 70 H GLN 70 3.933 11.824 -12.138
545 HA GLN 70 HA GLN 70 3.178 10.381 -14.667
546 1HB GLN 70 2HB GLN 70 5.148 11.915 -14.871
547 2HB GLN 70 1HB GLN 70 5.937 11.103 -13.538
548 1HG GLN 70 2HG GLN 70 6.277 9.067 -14.786
549 2HG GLN 70 1HG GLN 70 5.121 9.503 -16.030
550 1HE2 GLN 70 2HE2 GLN 70 7.753 10.766 -17.921
551 2HE2 GLN 70 1HE2 GLN 70 6.248 9.954 -17.926
552 H SER 71 H SER 71 2.648 8.355 -14.368
553 HA SER 71 HA SER 71 3.408 6.944 -11.877
554 1HB SER 71 2HB SER 71 1.630 5.639 -13.927
555 2HB SER 71 1HB SER 71 1.576 5.529 -12.172
556 HG SER 71 HG SER 71 0.009 6.841 -13.314
557 H THR 72 H THR 72 3.769 4.790 -11.838
558 HA THR 72 HA THR 72 5.620 3.704 -13.977
559 HB THR 72 HB THR 72 6.905 3.724 -11.872
560 HG1 THR 72 HG1 THR 72 6.023 1.113 -11.723
561 1HG2 THR 72 2HG2 THR 72 4.638 2.061 -10.630
562 2HG2 THR 72 1HG2 THR 72 6.146 2.532 -9.876
563 3HG2 THR 72 3HG2 THR 72 4.924 3.746 -10.211
564 H SER 73 H SER 73 4.692 1.890 -15.019
565 HA SER 73 HA SER 73 2.138 0.785 -13.921
566 1HB SER 73 2HB SER 73 2.035 -0.110 -16.388
567 2HB SER 73 1HB SER 73 1.852 1.634 -16.140
568 HG SER 73 HG SER 73 3.614 1.765 -17.349
569 H THR 74 H THR 74 4.376 0.190 -12.806
570 HA THR 74 HA THR 74 6.115 -1.710 -12.832
571 HB THR 74 HB THR 74 4.031 -1.961 -10.555
572 HG1 THR 74 HG1 THR 74 5.597 -0.254 -9.811
573 1HG2 THR 74 1HG2 THR 74 7.088 -1.893 -10.647
574 2HG2 THR 74 3HG2 THR 74 6.071 -2.237 -9.256
575 3HG2 THR 74 2HG2 THR 74 6.161 -3.386 -10.575
576 H THR 75 H THR 75 5.322 -2.949 -14.779
577 HA THR 75 HA THR 75 3.543 -5.196 -14.202
578 HB THR 75 HB THR 75 4.543 -4.095 -16.629
579 HG1 THR 75 HG1 THR 75 3.575 -6.640 -16.784
580 1HG2 THR 75 2HG2 THR 75 5.418 -7.044 -16.364
581 2HG2 THR 75 1HG2 THR 75 5.502 -6.043 -17.808
582 3HG2 THR 75 3HG2 THR 75 6.562 -5.726 -16.445
583 H PHE 76 H PHE 76 3.936 -7.020 -13.472
584 HA PHE 76 HA PHE 76 6.360 -7.527 -12.020
585 1HB PHE 76 2HB PHE 76 3.770 -8.976 -12.455
586 2HB PHE 76 1HB PHE 76 5.021 -9.766 -11.518
587 HD1 PHE 76 HD1 PHE 76 3.849 -6.170 -11.656
588 HD2 PHE 76 HD2 PHE 76 4.419 -9.616 -9.237
589 HE1 PHE 76 HE1 PHE 76 3.180 -4.900 -9.738
590 HE2 PHE 76 HE2 PHE 76 3.712 -8.316 -7.265
591 HZ PHE 76 HZ PHE 76 3.082 -5.918 -7.538
592 HA PRO 77 HA PRO 77 8.108 -11.007 -14.335
593 1HB PRO 77 2HB PRO 77 9.950 -11.812 -12.578
594 2HB PRO 77 1HB PRO 77 10.060 -10.171 -13.210
595 1HG PRO 77 2HG PRO 77 8.753 -11.108 -10.593
596 2HG PRO 77 1HG PRO 77 9.978 -9.856 -10.779
597 1HD PRO 77 2HD PRO 77 7.220 -9.304 -10.728
598 2HD PRO 77 1HD PRO 77 8.394 -8.259 -11.561
599 H ALA 78 H ALA 78 8.637 -13.445 -13.397
600 HA ALA 78 HA ALA 78 6.022 -14.425 -12.253
601 1HB ALA 78 2HB ALA 78 6.560 -15.089 -14.622
602 2HB ALA 78 1HB ALA 78 8.093 -15.761 -14.074
603 3HB ALA 78 3HB ALA 78 6.579 -16.499 -13.567
604 H ASP 79 H ASP 79 9.129 -13.886 -11.680
605 HA ASP 79 HA ASP 79 9.938 -15.978 -9.863
606 1HB ASP 79 2HB ASP 79 11.243 -13.269 -10.517
607 2HB ASP 79 1HB ASP 79 12.048 -14.770 -10.136
608 H ALA 80 H ALA 80 7.624 -15.001 -9.083
609 HA ALA 80 HA ALA 80 8.165 -13.611 -6.496
610 1HB ALA 80 3HB ALA 80 7.210 -12.012 -8.158
611 2HB ALA 80 2HB ALA 80 5.871 -13.104 -8.453
612 3HB ALA 80 1HB ALA 80 6.006 -12.294 -6.905
613 HA PRO 81 HA PRO 81 5.002 -16.527 -5.010
614 1HB PRO 81 2HB PRO 81 4.617 -15.746 -2.513
615 2HB PRO 81 1HB PRO 81 6.275 -16.108 -3.028
616 1HG PRO 81 2HG PRO 81 4.922 -13.324 -3.032
617 2HG PRO 81 1HG PRO 81 6.431 -13.753 -2.215
618 1HD PRO 81 2HD PRO 81 6.290 -12.673 -4.797
619 2HD PRO 81 1HD PRO 81 7.641 -13.705 -4.261
620 H ALA 82 H ALA 82 2.710 -16.660 -4.474
621 HA ALA 82 HA ALA 82 1.137 -14.386 -5.609
622 1HB ALA 82 3HB ALA 82 0.457 -17.338 -5.268
623 2HB ALA 82 2HB ALA 82 -0.563 -16.153 -6.036
624 3HB ALA 82 1HB ALA 82 0.964 -16.558 -6.751
625 H GLY 83 H GLY 83 -0.941 -13.946 -4.707
626 1HA GLY 83 2HA GLY 83 -2.532 -14.305 -2.689
627 2HA GLY 83 1HA GLY 83 -1.100 -14.233 -1.678
628 H GLU 84 H GLU 84 -1.657 -12.438 -0.442
629 HA GLU 84 HA GLU 84 -2.228 -9.890 -1.930
630 1HB GLU 84 2HB GLU 84 -4.014 -10.802 -0.374
631 2HB GLU 84 1HB GLU 84 -2.905 -10.498 0.938
632 1HG GLU 84 2HG GLU 84 -2.754 -8.120 0.456
633 2HG GLU 84 1HG GLU 84 -3.620 -8.255 -1.046
634 H TYR 85 H TYR 85 -0.966 -8.241 -1.742
635 HA TYR 85 HA TYR 85 1.368 -8.231 0.171
636 1HB TYR 85 2HB TYR 85 1.465 -6.681 -2.385
637 2HB TYR 85 1HB TYR 85 2.760 -7.466 -1.500
638 HD1 TYR 85 HD1 TYR 85 1.808 -10.201 -1.146
639 HD2 TYR 85 HD2 TYR 85 1.382 -7.663 -4.512
640 HE1 TYR 85 HE1 TYR 85 1.549 -12.179 -2.642
641 HE2 TYR 85 HE2 TYR 85 1.127 -9.648 -5.960
642 HH TYR 85 HH TYR 85 2.017 -12.570 -5.202
643 H THR 86 H THR 86 2.175 -6.040 0.786
644 HA THR 86 HA THR 86 0.169 -3.802 0.720
645 HB THR 86 HB THR 86 1.444 -4.873 3.300
646 HG1 THR 86 HG1 THR 86 -0.625 -5.463 1.815
647 1HG2 THR 86 3HG2 THR 86 -0.709 -2.735 2.794
648 2HG2 THR 86 2HG2 THR 86 -0.067 -3.241 4.344
649 3HG2 THR 86 1HG2 THR 86 0.935 -2.313 3.242
650 H PHE 87 H PHE 87 1.121 -2.075 -0.145
651 HA PHE 87 HA PHE 87 3.956 -1.610 0.498
652 1HB PHE 87 2HB PHE 87 3.147 0.055 -1.683
653 2HB PHE 87 1HB PHE 87 4.371 -1.191 -1.675
654 HD1 PHE 87 HD1 PHE 87 0.769 -0.531 -2.057
655 HD2 PHE 87 HD2 PHE 87 3.983 -3.165 -2.875
656 HE1 PHE 87 HE1 PHE 87 -0.666 -1.780 -3.615
657 HE2 PHE 87 HE2 PHE 87 2.581 -4.425 -4.425
658 HZ PHE 87 HZ PHE 87 0.259 -3.726 -4.809
659 H TYR 88 H TYR 88 4.602 0.222 1.489
660 HA TYR 88 HA TYR 88 2.640 2.389 1.921
661 1HB TYR 88 2HB TYR 88 3.917 2.733 4.084
662 2HB TYR 88 1HB TYR 88 2.921 1.300 3.914
663 HD1 TYR 88 HD1 TYR 88 6.446 2.492 3.652
664 HD2 TYR 88 HD2 TYR 88 3.842 -0.851 4.010
665 HE1 TYR 88 HE1 TYR 88 8.375 0.986 4.074
666 HE2 TYR 88 HE2 TYR 88 5.763 -2.308 4.422
667 HH TYR 88 HH TYR 88 7.911 -2.412 4.783
668 H CYS 89 H CYS 89 3.227 4.524 1.799
669 HA CYS 89 HA CYS 89 5.441 5.363 0.135
670 1HB CYS 89 2HB CYS 89 3.364 6.748 1.708
671 2HB CYS 89 1HB CYS 89 4.731 7.687 1.203
672 H GLU 90 H GLU 90 7.477 5.016 1.007
673 HA GLU 90 HA GLU 90 8.779 5.110 3.314
674 1HB GLU 90 2HB GLU 90 10.169 5.067 1.500
675 2HB GLU 90 1HB GLU 90 9.289 6.260 0.637
676 1HG GLU 90 2HG GLU 90 10.579 7.843 2.633
677 2HG GLU 90 1HG GLU 90 11.706 6.531 2.410
678 HA PRO 91 HA PRO 91 8.703 9.600 4.703
679 1HB PRO 91 2HB PRO 91 8.872 11.614 3.028
680 2HB PRO 91 1HB PRO 91 10.044 10.293 2.868
681 1HG PRO 91 2HG PRO 91 7.508 10.726 1.193
682 2HG PRO 91 1HG PRO 91 9.129 10.254 0.656
683 1HD PRO 91 2HD PRO 91 7.029 8.430 1.263
684 2HD PRO 91 1HD PRO 91 8.738 8.085 0.978
685 H HIS 92 HN HIP 92 5.973 8.594 3.362
686 HA HIS 92 HA HIP 92 4.252 10.851 4.442
687 1HB HIS 92 2HB HIP 92 3.529 8.761 2.313
688 2HB HIS 92 1HB HIP 92 2.495 10.040 2.873
689 HD2 HIS 92 HD2 HIP 92 4.960 12.386 2.778
690 HE1 HIS 92 HE1 HIP 92 4.585 11.680 -1.304
691 HE2 HIS 92 HE2 HIP 92 5.383 13.202 0.391
692 H ARG 93 H ARG 93 5.241 9.594 6.118
693 HA ARG 93 HA ARG 93 3.891 7.112 6.987
694 1HB ARG 93 2HB ARG 93 6.410 7.869 6.991
695 2HB ARG 93 1HB ARG 93 5.980 8.829 8.382
696 1HG ARG 93 2HG ARG 93 5.392 6.830 9.664
697 2HG ARG 93 1HG ARG 93 5.595 5.803 8.251
698 1HD ARG 93 2HD ARG 93 7.805 7.563 9.414
699 2HD ARG 93 1HD ARG 93 7.626 5.850 9.786
700 HE ARG 93 HE ARG 93 8.122 6.836 6.898
701 1HH1 ARG 93 2HH1 ARG 93 7.583 4.692 6.220
702 2HH1 ARG 93 1HH1 ARG 93 8.857 3.554 6.509
703 1HH2 ARG 93 1HH2 ARG 93 10.047 5.810 8.887
704 2HH2 ARG 93 2HH2 ARG 93 10.422 4.262 8.197
705 H GLY 94 H GLY 94 2.430 7.080 8.736
706 1HA GLY 94 2HA GLY 94 1.039 8.049 10.518
707 2HA GLY 94 1HA GLY 94 1.733 9.635 10.157
708 H ALA 95 H ALA 95 1.339 10.056 7.698
709 HA ALA 95 HA ALA 95 -1.557 10.450 7.371
710 1HB ALA 95 3HB ALA 95 0.108 12.251 6.888
711 2HB ALA 95 2HB ALA 95 0.852 11.240 5.656
712 3HB ALA 95 1HB ALA 95 -0.777 11.845 5.421
713 H GLY 96 H GLY 96 -1.681 8.167 7.380
714 1HA GLY 96 2HA GLY 96 -1.633 5.926 6.335
715 2HA GLY 96 1HA GLY 96 -3.105 6.712 5.868
716 H MET 97 H MET 97 0.088 7.096 4.429
717 HA MET 97 HA MET 97 -1.137 6.548 1.795
718 1HB MET 97 2HB MET 97 1.603 7.417 2.735
719 2HB MET 97 1HB MET 97 1.337 6.987 1.049
720 1HG MET 97 2HG MET 97 -0.812 8.659 1.669
721 2HG MET 97 1HG MET 97 0.473 9.393 2.535
722 1HE MET 97 1HE MET 97 -1.468 9.014 -0.453
723 2HE MET 97 3HE MET 97 -0.540 9.529 -1.826
724 3HE MET 97 2HE MET 97 -0.296 7.914 -1.176
725 H VAL 98 H VAL 98 -1.691 4.405 2.604
726 HA VAL 98 HA VAL 98 0.334 2.316 1.978
727 HB VAL 98 HB VAL 98 -1.143 0.880 3.345
728 1HG1 VAL 98 2HG1 VAL 98 0.938 1.949 4.275
729 2HG1 VAL 98 1HG1 VAL 98 0.008 3.373 4.692
730 3HG1 VAL 98 3HG1 VAL 98 -0.306 1.851 5.507
731 1HG2 VAL 98 1HG2 VAL 98 -3.218 2.225 3.283
732 2HG2 VAL 98 3HG2 VAL 98 -2.694 1.976 4.935
733 3HG2 VAL 98 2HG2 VAL 98 -2.427 3.520 4.159
734 H GLY 99 H GLY 99 -0.065 0.889 0.372
735 1HA GLY 99 2HA GLY 99 -2.782 0.735 -0.957
736 2HA GLY 99 1HA GLY 99 -1.283 0.654 -1.867
737 H LYS 100 H LYS 100 -3.663 -1.269 -1.284
738 HA LYS 100 HA LYS 100 -1.964 -3.663 -0.730
739 1HB LYS 100 2HB LYS 100 -4.631 -2.819 0.315
740 2HB LYS 100 1HB LYS 100 -4.382 -4.530 0.106
741 1HG LYS 100 2HG LYS 100 -2.011 -3.833 1.386
742 2HG LYS 100 1HG LYS 100 -3.019 -2.528 1.955
743 1HD LYS 100 2HD LYS 100 -3.145 -4.375 3.578
744 2HD LYS 100 1HD LYS 100 -4.710 -4.225 2.789
745 1HE LYS 100 2HE LYS 100 -3.745 -6.072 1.121
746 2HE LYS 100 1HE LYS 100 -2.544 -6.302 2.359
747 1HZ LYS 100 1HZ LYS 100 -4.976 -6.232 3.751
748 2HZ LYS 100 3HZ LYS 100 -5.248 -7.129 2.336
749 3HZ LYS 100 2HZ LYS 100 -4.076 -7.637 3.323
750 H ILE 101 H ILE 101 -1.719 -4.906 -2.326
751 HA ILE 101 HA ILE 101 -3.852 -5.299 -4.384
752 HB ILE 101 HB ILE 101 -1.561 -4.232 -4.848
753 1HG1 ILE 101 2HG1 ILE 101 -3.065 -6.199 -6.527
754 2HG1 ILE 101 1HG1 ILE 101 -2.978 -4.455 -6.644
755 1HG2 ILE 101 3HG2 ILE 101 -0.244 -6.265 -3.942
756 2HG2 ILE 101 2HG2 ILE 101 -0.944 -7.220 -5.241
757 3HG2 ILE 101 1HG2 ILE 101 0.168 -5.925 -5.612
758 1HD1 ILE 101 1HD1 ILE 101 -0.550 -4.618 -7.357
759 2HD1 ILE 101 3HD1 ILE 101 -0.689 -6.361 -7.401
760 3HD1 ILE 101 2HD1 ILE 101 -1.615 -5.395 -8.493
761 H THR 102 H THR 102 -4.651 -7.252 -4.647
762 HA THR 102 HA THR 102 -3.409 -9.740 -3.473
763 HB THR 102 HB THR 102 -6.351 -9.447 -4.107
764 HG1 THR 102 HG1 THR 102 -5.069 -9.450 -1.575
765 1HG2 THR 102 2HG2 THR 102 -4.704 -11.266 -2.258
766 2HG2 THR 102 1HG2 THR 102 -6.443 -11.324 -2.489
767 3HG2 THR 102 3HG2 THR 102 -5.364 -11.789 -3.791
768 H VAL 103 H VAL 103 -2.895 -11.350 -4.965
769 HA VAL 103 HA VAL 103 -3.668 -10.897 -7.796
770 HB VAL 103 HB VAL 103 -1.988 -12.839 -8.132
771 1HG1 VAL 103 3HG1 VAL 103 -1.076 -10.498 -7.694
772 2HG1 VAL 103 2HG1 VAL 103 -1.018 -10.930 -5.989
773 3HG1 VAL 103 1HG1 VAL 103 -0.057 -11.817 -7.152
774 1HG2 VAL 103 3HG2 VAL 103 -2.185 -13.049 -5.249
775 2HG2 VAL 103 2HG2 VAL 103 -2.797 -14.190 -6.431
776 3HG2 VAL 103 1HG2 VAL 103 -1.084 -13.898 -6.377
777 H ALA 104 H ALA 104 -4.469 -12.693 -9.033
778 HA ALA 104 HA ALA 104 -6.604 -14.306 -7.648
779 1HB ALA 104 2HB ALA 104 -7.441 -12.414 -9.120
780 2HB ALA 104 1HB ALA 104 -6.555 -13.088 -10.474
781 3HB ALA 104 3HB ALA 104 -7.906 -13.974 -9.792
782 H GLY 105 HN GLY 105 -4.510 -15.430 -7.417
783 1HA GLY 105 2HA GLY 105 -4.242 -17.949 -8.053
784 2HA GLY 105 1HA GLY 105 -3.716 -17.282 -9.606
No H/Q in entry = 784
Start of MODEL 11
1 1H GLU 1 2H GLU 1 -4.722 -5.101 -16.135
2 2H GLU 1 1H GLU 1 -4.569 -6.056 -17.488
3 3H GLU 1 3H GLU 1 -4.206 -6.702 -15.954
4 HA GLU 1 HA GLU 1 -2.075 -5.959 -16.145
5 1HB GLU 1 2HB GLU 1 -1.663 -4.655 -18.488
6 2HB GLU 1 1HB GLU 1 -2.043 -6.356 -18.541
7 1HG GLU 1 2HG GLU 1 -3.406 -4.587 -20.057
8 2HG GLU 1 1HG GLU 1 -4.304 -5.914 -19.385
9 H THR 2 H THR 2 -1.330 -3.347 -17.230
10 HA THR 2 HA THR 2 -1.193 -1.830 -15.076
11 HB THR 2 HB THR 2 -1.656 0.153 -17.257
12 HG1 THR 2 HG1 THR 2 -2.344 -1.855 -18.355
13 1HG2 THR 2 1HG2 THR 2 0.756 -1.707 -17.279
14 2HG2 THR 2 3HG2 THR 2 0.619 -0.109 -17.978
15 3HG2 THR 2 2HG2 THR 2 0.661 -0.291 -16.236
16 H TYR 3 H TYR 3 -2.899 -2.262 -13.884
17 HA TYR 3 HA TYR 3 -5.193 -0.436 -14.285
18 1HB TYR 3 2HB TYR 3 -4.466 -2.203 -11.872
19 2HB TYR 3 1HB TYR 3 -6.022 -1.416 -12.090
20 HD1 TYR 3 HD1 TYR 3 -6.538 -1.865 -14.971
21 HD2 TYR 3 HD2 TYR 3 -4.928 -4.539 -12.080
22 HE1 TYR 3 HE1 TYR 3 -7.324 -3.750 -16.290
23 HE2 TYR 3 HE2 TYR 3 -5.731 -6.396 -13.412
24 HH TYR 3 HH TYR 3 -7.026 -5.818 -16.590
25 H THR 4 H THR 4 -5.082 1.559 -13.917
26 HA THR 4 HA THR 4 -3.091 3.106 -12.706
27 HB THR 4 HB THR 4 -6.003 3.939 -13.113
28 HG1 THR 4 HG1 THR 4 -3.718 4.005 -14.802
29 1HG2 THR 4 3HG2 THR 4 -3.342 5.435 -13.437
30 2HG2 THR 4 2HG2 THR 4 -4.947 6.089 -13.679
31 3HG2 THR 4 1HG2 THR 4 -4.400 5.664 -12.061
32 H VAL 5 H VAL 5 -2.511 2.711 -10.578
33 HA VAL 5 HA VAL 5 -4.612 3.082 -8.488
34 HB VAL 5 HB VAL 5 -1.674 2.211 -8.258
35 1HG1 VAL 5 2HG1 VAL 5 -3.967 2.148 -6.217
36 2HG1 VAL 5 1HG1 VAL 5 -2.345 1.524 -5.948
37 3HG1 VAL 5 3HG1 VAL 5 -2.598 3.246 -6.157
38 1HG2 VAL 5 3HG2 VAL 5 -4.248 0.559 -8.103
39 2HG2 VAL 5 2HG2 VAL 5 -3.096 0.535 -9.427
40 3HG2 VAL 5 1HG2 VAL 5 -2.620 -0.055 -7.846
41 H LYS 6 H LYS 6 -4.665 4.854 -7.320
42 HA LYS 6 HA LYS 6 -2.652 7.014 -7.828
43 1HB LYS 6 2HB LYS 6 -5.060 7.079 -8.719
44 2HB LYS 6 1HB LYS 6 -5.555 7.235 -7.050
45 1HG LYS 6 2HG LYS 6 -4.212 9.341 -6.852
46 2HG LYS 6 1HG LYS 6 -3.699 9.164 -8.518
47 1HD LYS 6 2HD LYS 6 -5.651 10.722 -8.492
48 2HD LYS 6 1HD LYS 6 -6.087 9.234 -9.303
49 1HE LYS 6 2HE LYS 6 -7.886 10.000 -7.740
50 2HE LYS 6 1HE LYS 6 -7.291 8.418 -7.277
51 1HZ LYS 6 3HZ LYS 6 -5.641 10.457 -6.123
52 2HZ LYS 6 2HZ LYS 6 -7.284 10.686 -5.719
53 3HZ LYS 6 1HZ LYS 6 -6.542 9.295 -5.360
54 H LEU 7 H LEU 7 -1.479 7.611 -6.262
55 HA LEU 7 HA LEU 7 -2.037 6.883 -3.433
56 1HB LEU 7 2HB LEU 7 0.517 7.632 -3.348
57 2HB LEU 7 1HB LEU 7 0.061 6.078 -4.017
58 HG LEU 7 HG LEU 7 0.204 7.037 -6.331
59 1HD1 LEU 7 2HD1 LEU 7 1.147 9.533 -4.834
60 2HD1 LEU 7 1HD1 LEU 7 1.143 9.291 -6.566
61 3HD1 LEU 7 3HD1 LEU 7 -0.361 9.411 -5.719
62 1HD2 LEU 7 3HD2 LEU 7 2.188 6.028 -5.310
63 2HD2 LEU 7 2HD2 LEU 7 2.598 7.354 -6.381
64 3HD2 LEU 7 1HD2 LEU 7 2.625 7.593 -4.641
65 H GLY 8 H GLY 8 -3.625 8.465 -3.404
66 1HA GLY 8 2HA GLY 8 -4.065 10.352 -1.814
67 2HA GLY 8 1HA GLY 8 -2.707 11.215 -2.564
68 H SER 9 H SER 9 -5.307 12.283 -2.435
69 HA SER 9 HA SER 9 -6.133 12.104 -5.359
70 1HB SER 9 2HB SER 9 -7.849 11.660 -3.205
71 2HB SER 9 1HB SER 9 -8.146 13.373 -3.546
72 HG SER 9 HG SER 9 -8.927 11.324 -4.990
73 H ASP 10 H ASP 10 -5.929 14.479 -2.805
74 HA ASP 10 HA ASP 10 -5.204 16.438 -4.918
75 1HB ASP 10 2HB ASP 10 -7.639 16.553 -4.350
76 2HB ASP 10 1HB ASP 10 -7.240 16.841 -2.667
77 H LYS 11 H LYS 11 -4.893 18.706 -3.242
78 HA LYS 11 HA LYS 11 -2.268 17.962 -2.023
79 1HB LYS 11 2HB LYS 11 -1.653 20.223 -2.306
80 2HB LYS 11 1HB LYS 11 -2.690 19.999 -3.682
81 1HG LYS 11 2HG LYS 11 -3.418 21.348 -1.012
82 2HG LYS 11 1HG LYS 11 -3.068 22.185 -2.491
83 1HD LYS 11 2HD LYS 11 -5.404 20.250 -2.156
84 2HD LYS 11 1HD LYS 11 -5.553 21.960 -1.883
85 1HE LYS 11 2HE LYS 11 -4.885 22.437 -4.227
86 2HE LYS 11 1HE LYS 11 -4.744 20.706 -4.529
87 1HZ LYS 11 3HZ LYS 11 -7.179 21.053 -3.261
88 2HZ LYS 11 2HZ LYS 11 -7.203 22.215 -4.515
89 3HZ LYS 11 1HZ LYS 11 -6.929 20.542 -4.758
90 H GLY 12 H GLY 12 -4.912 17.471 -0.969
91 1HA GLY 12 2HA GLY 12 -4.604 18.445 1.863
92 2HA GLY 12 1HA GLY 12 -6.188 18.316 1.123
93 H LEU 13 H LEU 13 -5.973 15.837 -0.074
94 HA LEU 13 HA LEU 13 -5.756 14.059 2.326
95 1HB LEU 13 2HB LEU 13 -7.555 12.702 1.332
96 2HB LEU 13 1HB LEU 13 -8.031 14.357 1.576
97 HG LEU 13 HG LEU 13 -7.017 13.582 -1.188
98 1HD1 LEU 13 2HD1 LEU 13 -9.819 13.137 -0.043
99 2HD1 LEU 13 1HD1 LEU 13 -9.370 12.918 -1.718
100 3HD1 LEU 13 3HD1 LEU 13 -8.710 11.857 -0.496
101 1HD2 LEU 13 3HD2 LEU 13 -7.676 16.015 -0.590
102 2HD2 LEU 13 2HD2 LEU 13 -8.693 15.308 -1.820
103 3HD2 LEU 13 1HD2 LEU 13 -9.256 15.413 -0.171
104 H LEU 14 H LEU 14 -4.168 12.794 2.403
105 HA LEU 14 HA LEU 14 -2.834 11.614 0.027
106 1HB LEU 14 2HB LEU 14 -2.146 11.780 2.986
107 2HB LEU 14 1HB LEU 14 -1.154 10.902 1.860
108 HG LEU 14 HG LEU 14 -1.789 13.871 1.477
109 1HD1 LEU 14 1HD1 LEU 14 0.645 12.504 2.738
110 2HD1 LEU 14 3HD1 LEU 14 0.476 14.224 2.436
111 3HD1 LEU 14 2HD1 LEU 14 -0.548 13.441 3.625
112 1HD2 LEU 14 3HD2 LEU 14 0.415 12.017 0.426
113 2HD2 LEU 14 2HD2 LEU 14 -0.947 12.564 -0.534
114 3HD2 LEU 14 1HD2 LEU 14 0.243 13.712 0.042
115 H VAL 15 H VAL 15 -5.101 10.467 0.019
116 HA VAL 15 HA VAL 15 -4.997 7.879 1.525
117 HB VAL 15 HB VAL 15 -7.223 9.189 -0.124
118 1HG1 VAL 15 3HG1 VAL 15 -7.375 6.768 1.743
119 2HG1 VAL 15 2HG1 VAL 15 -8.731 7.562 0.971
120 3HG1 VAL 15 1HG1 VAL 15 -7.566 6.725 -0.010
121 1HG2 VAL 15 1HG2 VAL 15 -6.681 10.416 2.006
122 2HG2 VAL 15 3HG2 VAL 15 -8.247 9.638 2.119
123 3HG2 VAL 15 2HG2 VAL 15 -6.853 8.927 2.909
124 H PHE 16 H PHE 16 -5.737 5.934 0.251
125 HA PHE 16 HA PHE 16 -4.358 5.903 -2.427
126 1HB PHE 16 2HB PHE 16 -4.558 3.881 -0.196
127 2HB PHE 16 1HB PHE 16 -4.380 3.311 -1.843
128 HD1 PHE 16 HD2 PHE 16 -2.692 6.502 -0.943
129 HD2 PHE 16 HD1 PHE 16 -2.337 2.293 -1.253
130 HE1 PHE 16 HE2 PHE 16 -0.242 6.688 -0.839
131 HE2 PHE 16 HE1 PHE 16 0.118 2.482 -1.149
132 HZ PHE 16 HZ PHE 16 1.151 4.681 -0.939
133 H GLU 17 H GLU 17 -5.565 5.876 -4.021
134 HA GLU 17 HA GLU 17 -8.297 4.701 -3.973
135 1HB GLU 17 2HB GLU 17 -6.987 6.870 -5.613
136 2HB GLU 17 1HB GLU 17 -8.634 6.340 -5.898
137 1HG GLU 17 2HG GLU 17 -9.414 7.225 -3.789
138 2HG GLU 17 1HG GLU 17 -7.841 7.172 -3.043
139 HA PRO 18 HA PRO 18 -9.280 3.084 -4.262
140 1HB PRO 18 2HB PRO 18 -10.227 0.801 -5.097
141 2HB PRO 18 1HB PRO 18 -10.145 2.154 -6.234
142 1HG PRO 18 2HG PRO 18 -8.113 -0.144 -5.930
143 2HG PRO 18 1HG PRO 18 -8.894 0.418 -7.405
144 1HD PRO 18 2HD PRO 18 -6.367 1.347 -6.518
145 2HD PRO 18 1HD PRO 18 -7.406 2.224 -7.654
146 H ALA 19 H ALA 19 -6.449 2.335 -3.576
147 HA ALA 19 HA ALA 19 -5.247 1.437 -1.781
148 1HB ALA 19 3HB ALA 19 -7.084 2.422 -0.474
149 2HB ALA 19 2HB ALA 19 -8.068 0.994 -0.672
150 3HB ALA 19 1HB ALA 19 -6.601 0.918 0.282
151 H LYS 20 H LYS 20 -7.818 -0.773 -2.478
152 HA LYS 20 HA LYS 20 -6.039 -3.163 -2.094
153 1HB LYS 20 2HB LYS 20 -8.072 -4.344 -1.487
154 2HB LYS 20 1HB LYS 20 -7.813 -2.936 -0.481
155 1HG LYS 20 2HG LYS 20 -9.349 -1.987 -2.715
156 2HG LYS 20 1HG LYS 20 -10.002 -3.561 -2.355
157 1HD LYS 20 2HD LYS 20 -10.348 -2.938 0.032
158 2HD LYS 20 1HD LYS 20 -9.626 -1.365 -0.236
159 1HE LYS 20 2HE LYS 20 -12.144 -2.399 -1.595
160 2HE LYS 20 1HE LYS 20 -12.121 -1.291 -0.227
161 1HZ LYS 20 1HZ LYS 20 -10.325 -0.271 -2.194
162 2HZ LYS 20 3HZ LYS 20 -11.736 -0.662 -2.988
163 3HZ LYS 20 2HZ LYS 20 -11.752 0.425 -1.686
164 H LEU 21 H LEU 21 -5.413 -4.082 -3.977
165 HA LEU 21 HA LEU 21 -7.275 -4.108 -6.345
166 1HB LEU 21 2HB LEU 21 -5.049 -2.891 -6.471
167 2HB LEU 21 1HB LEU 21 -4.312 -4.461 -6.451
168 HG LEU 21 HG LEU 21 -6.009 -3.199 -8.628
169 1HD1 LEU 21 2HD1 LEU 21 -3.455 -4.823 -8.597
170 2HD1 LEU 21 1HD1 LEU 21 -4.206 -4.225 -10.048
171 3HD1 LEU 21 3HD1 LEU 21 -3.592 -3.107 -8.843
172 1HD2 LEU 21 1HD2 LEU 21 -5.742 -6.247 -8.438
173 2HD2 LEU 21 3HD2 LEU 21 -7.238 -5.364 -8.416
174 3HD2 LEU 21 2HD2 LEU 21 -6.261 -5.389 -9.850
175 H THR 22 H THR 22 -8.257 -6.184 -6.552
176 HA THR 22 HA THR 22 -6.612 -8.589 -5.904
177 HB THR 22 HB THR 22 -9.546 -8.461 -6.844
178 HG1 THR 22 HG1 THR 22 -9.046 -9.392 -4.388
179 1HG2 THR 22 1HG2 THR 22 -7.894 -10.672 -5.457
180 2HG2 THR 22 3HG2 THR 22 -9.573 -10.797 -5.978
181 3HG2 THR 22 2HG2 THR 22 -8.284 -10.724 -7.163
182 H ILE 23 H ILE 23 -5.116 -8.660 -7.458
183 HA ILE 23 HA ILE 23 -5.830 -8.546 -10.291
184 HB ILE 23 HB ILE 23 -3.445 -8.787 -10.753
185 1HG1 ILE 23 2HG1 ILE 23 -2.676 -8.547 -7.893
186 2HG1 ILE 23 1HG1 ILE 23 -3.089 -10.119 -8.510
187 1HG2 ILE 23 2HG2 ILE 23 -4.360 -6.551 -10.356
188 2HG2 ILE 23 1HG2 ILE 23 -3.901 -6.732 -8.652
189 3HG2 ILE 23 3HG2 ILE 23 -2.680 -6.694 -9.914
190 1HD1 ILE 23 1HD1 ILE 23 -1.064 -8.266 -9.836
191 2HD1 ILE 23 3HD1 ILE 23 -0.639 -9.674 -8.881
192 3HD1 ILE 23 2HD1 ILE 23 -1.504 -9.866 -10.388
193 H LYS 24 H LYS 24 -4.913 -10.049 -11.857
194 HA LYS 24 HA LYS 24 -5.017 -12.769 -10.694
195 1HB LYS 24 2HB LYS 24 -6.105 -13.657 -12.609
196 2HB LYS 24 1HB LYS 24 -6.884 -12.147 -12.301
197 1HG LYS 24 2HG LYS 24 -4.744 -12.628 -14.450
198 2HG LYS 24 1HG LYS 24 -6.453 -12.692 -14.781
199 1HD LYS 24 2HD LYS 24 -4.860 -10.338 -13.797
200 2HD LYS 24 1HD LYS 24 -5.423 -10.506 -15.429
201 1HE LYS 24 2HE LYS 24 -7.803 -10.338 -14.712
202 2HE LYS 24 1HE LYS 24 -7.294 -10.227 -13.027
203 1HZ LYS 24 2HZ LYS 24 -5.768 -8.426 -14.443
204 2HZ LYS 24 1HZ LYS 24 -7.303 -7.954 -14.880
205 3HZ LYS 24 3HZ LYS 24 -6.772 -8.083 -13.261
206 HA PRO 25 HA PRO 25 -0.927 -13.934 -11.045
207 1HB PRO 25 2HB PRO 25 -0.934 -15.854 -13.201
208 2HB PRO 25 1HB PRO 25 -0.978 -16.131 -11.458
209 1HG PRO 25 2HG PRO 25 -3.332 -15.798 -13.363
210 2HG PRO 25 1HG PRO 25 -3.147 -16.939 -12.023
211 1HD PRO 25 2HD PRO 25 -4.650 -14.832 -11.541
212 2HD PRO 25 1HD PRO 25 -3.342 -15.124 -10.373
213 H GLY 26 H GLY 26 -0.150 -11.832 -11.694
214 1HA GLY 26 2HA GLY 26 1.955 -11.343 -13.142
215 2HA GLY 26 1HA GLY 26 0.966 -11.743 -14.513
216 H ASP 27 H ASP 27 -1.281 -10.438 -13.596
217 HA ASP 27 HA ASP 27 -1.754 -8.303 -14.852
218 1HB ASP 27 2HB ASP 27 -2.602 -9.435 -12.437
219 2HB ASP 27 1HB ASP 27 -2.423 -7.736 -12.072
220 H THR 28 H THR 28 -0.266 -6.759 -15.590
221 HA THR 28 HA THR 28 1.499 -5.274 -13.974
222 HB THR 28 HB THR 28 0.121 -4.140 -16.486
223 HG1 THR 28 HG1 THR 28 2.472 -5.615 -16.550
224 1HG2 THR 28 2HG2 THR 28 3.013 -4.088 -15.493
225 2HG2 THR 28 1HG2 THR 28 2.353 -3.246 -16.881
226 3HG2 THR 28 3HG2 THR 28 1.924 -2.747 -15.263
227 H VAL 29 H VAL 29 1.399 -3.563 -12.869
228 HA VAL 29 HA VAL 29 -1.183 -2.270 -12.201
229 HB VAL 29 HB VAL 29 1.073 -2.952 -10.394
230 1HG1 VAL 29 2HG1 VAL 29 -1.450 -1.290 -9.798
231 2HG1 VAL 29 1HG1 VAL 29 -0.310 -1.866 -8.597
232 3HG1 VAL 29 3HG1 VAL 29 0.181 -0.650 -9.743
233 1HG2 VAL 29 3HG2 VAL 29 -0.696 -4.682 -10.955
234 2HG2 VAL 29 2HG2 VAL 29 -0.819 -4.167 -9.286
235 3HG2 VAL 29 1HG2 VAL 29 -1.932 -3.550 -10.486
236 H GLU 30 H GLU 30 -1.204 0.141 -11.960
237 HA GLU 30 HA GLU 30 1.312 1.457 -12.751
238 1HB GLU 30 2HB GLU 30 -0.265 1.686 -14.440
239 2HB GLU 30 1HB GLU 30 -1.526 2.112 -13.319
240 1HG GLU 30 2HG GLU 30 -0.330 4.251 -12.747
241 2HG GLU 30 1HG GLU 30 1.060 3.766 -13.700
242 H PHE 31 H PHE 31 2.128 2.941 -11.421
243 HA PHE 31 HA PHE 31 0.642 3.788 -8.964
244 1HB PHE 31 2HB PHE 31 3.634 3.552 -9.535
245 2HB PHE 31 1HB PHE 31 2.976 4.163 -8.032
246 HD1 PHE 31 HD1 PHE 31 3.191 1.171 -10.214
247 HD2 PHE 31 HD2 PHE 31 2.121 2.642 -6.379
248 HE1 PHE 31 HE1 PHE 31 2.989 -1.131 -9.397
249 HE2 PHE 31 HE2 PHE 31 1.918 0.329 -5.546
250 HZ PHE 31 HZ PHE 31 2.350 -1.556 -7.053
251 H LEU 32 H LEU 32 -0.358 5.644 -9.710
252 HA LEU 32 HA LEU 32 1.189 7.562 -11.296
253 1HB LEU 32 2HB LEU 32 -1.094 6.698 -11.930
254 2HB LEU 32 1HB LEU 32 -1.762 7.558 -10.564
255 HG LEU 32 HG LEU 32 -0.109 8.990 -12.713
256 1HD1 LEU 32 3HD1 LEU 32 -3.130 8.513 -12.605
257 2HD1 LEU 32 2HD1 LEU 32 -2.292 9.524 -13.773
258 3HD1 LEU 32 1HD1 LEU 32 -2.024 7.791 -13.758
259 1HD2 LEU 32 3HD2 LEU 32 -2.315 9.946 -10.812
260 2HD2 LEU 32 2HD2 LEU 32 -0.603 10.263 -10.583
261 3HD2 LEU 32 1HD2 LEU 32 -1.428 10.933 -11.959
262 H ASN 33 H ASN 33 2.070 9.153 -10.493
263 HA ASN 33 HA ASN 33 2.340 10.022 -7.784
264 1HB ASN 33 2HB ASN 33 4.009 9.977 -9.626
265 2HB ASN 33 1HB ASN 33 3.176 11.323 -10.352
266 1HD2 ASN 33 2HD2 ASN 33 5.375 13.319 -8.561
267 2HD2 ASN 33 1HD2 ASN 33 4.747 12.944 -10.103
268 H ASN 34 H ASN 34 -0.311 10.240 -8.130
269 HA ASN 34 HA ASN 34 -1.969 12.059 -8.888
270 1HB ASN 34 2HB ASN 34 -2.547 10.668 -6.993
271 2HB ASN 34 1HB ASN 34 -1.436 11.497 -5.923
272 1HD2 ASN 34 2HD2 ASN 34 -3.831 13.869 -5.108
273 2HD2 ASN 34 1HD2 ASN 34 -2.395 13.061 -4.680
274 H LYS 35 H LYS 35 -0.508 13.335 -6.045
275 HA LYS 35 HA LYS 35 0.224 15.952 -7.109
276 1HB LYS 35 2HB LYS 35 -2.005 15.836 -4.944
277 2HB LYS 35 1HB LYS 35 -1.396 17.289 -5.710
278 1HG LYS 35 2HG LYS 35 -2.212 16.207 -7.939
279 2HG LYS 35 1HG LYS 35 -3.130 15.135 -6.879
280 1HD LYS 35 2HD LYS 35 -3.905 17.629 -5.915
281 2HD LYS 35 1HD LYS 35 -3.431 18.090 -7.517
282 1HE LYS 35 2HE LYS 35 -5.934 16.802 -6.683
283 2HE LYS 35 1HE LYS 35 -5.540 17.635 -8.153
284 1HZ LYS 35 1HZ LYS 35 -4.136 15.190 -8.256
285 2HZ LYS 35 3HZ LYS 35 -5.627 14.853 -7.618
286 3HZ LYS 35 2HZ LYS 35 -5.505 15.576 -9.161
287 H VAL 36 H VAL 36 0.462 17.201 -4.573
288 HA VAL 36 HA VAL 36 2.491 17.208 -3.179
289 HB VAL 36 HB VAL 36 1.574 16.189 -0.995
290 1HG1 VAL 36 2HG1 VAL 36 -0.193 18.093 -2.617
291 2HG1 VAL 36 1HG1 VAL 36 -0.207 17.921 -0.867
292 3HG1 VAL 36 3HG1 VAL 36 1.206 18.567 -1.669
293 1HG2 VAL 36 2HG2 VAL 36 0.133 14.454 -2.068
294 2HG2 VAL 36 1HG2 VAL 36 -0.802 15.523 -1.040
295 3HG2 VAL 36 3HG2 VAL 36 -0.875 15.701 -2.778
296 HA PRO 37 HA PRO 37 4.967 13.338 -3.767
297 1HB PRO 37 2HB PRO 37 7.036 15.123 -4.554
298 2HB PRO 37 1HB PRO 37 6.047 14.155 -5.656
299 1HG PRO 37 2HG PRO 37 5.503 17.006 -4.648
300 2HG PRO 37 1HG PRO 37 5.569 16.461 -6.330
301 1HD PRO 37 2HD PRO 37 3.182 16.619 -5.252
302 2HD PRO 37 1HD PRO 37 3.561 15.047 -5.995
303 HA PRO 38 HA PRO 38 7.272 13.003 -3.929
304 1HB PRO 38 2HB PRO 38 9.585 12.201 -2.966
305 2HB PRO 38 1HB PRO 38 9.332 13.938 -3.194
306 1HG PRO 38 2HG PRO 38 9.019 12.334 -0.590
307 2HG PRO 38 1HG PRO 38 9.921 13.829 -0.826
308 1HD PRO 38 2HD PRO 38 7.240 13.695 0.079
309 2HD PRO 38 1HD PRO 38 7.951 15.147 -0.652
310 H HIS 39 HN HIP 39 6.536 10.986 -4.404
311 HA HIS 39 HA HIP 39 5.855 9.205 -2.088
312 1HB HIS 39 2HB HIP 39 4.763 9.036 -4.912
313 2HB HIS 39 1HB HIP 39 4.212 8.148 -3.514
314 HD2 HIS 39 HD2 HIP 39 3.794 11.466 -5.317
315 HE1 HIS 39 HE1 HIP 39 1.332 11.693 -1.987
316 HE2 HIS 39 HE2 HIP 39 1.976 12.714 -4.102
317 H ASN 40 H ASN 40 7.400 7.768 -1.660
318 HA ASN 40 HA ASN 40 8.575 6.108 -3.873
319 1HB ASN 40 2HB ASN 40 10.396 7.179 -2.700
320 2HB ASN 40 1HB ASN 40 9.626 6.947 -1.137
321 1HD2 ASN 40 2HD2 ASN 40 11.663 3.868 -2.658
322 2HD2 ASN 40 1HD2 ASN 40 11.283 5.132 -3.740
323 H VAL 41 H VAL 41 7.262 4.209 -3.912
324 HA VAL 41 HA VAL 41 6.122 3.295 -1.303
325 HB VAL 41 HB VAL 41 4.635 1.851 -2.589
326 1HG1 VAL 41 3HG1 VAL 41 4.550 4.820 -3.325
327 2HG1 VAL 41 2HG1 VAL 41 3.180 3.730 -3.458
328 3HG1 VAL 41 1HG1 VAL 41 3.870 4.075 -1.888
329 1HG2 VAL 41 3HG2 VAL 41 5.940 1.658 -4.756
330 2HG2 VAL 41 2HG2 VAL 41 4.344 2.289 -5.076
331 3HG2 VAL 41 1HG2 VAL 41 5.720 3.375 -5.046
332 H VAL 42 H VAL 42 6.942 1.801 -0.306
333 HA VAL 42 HA VAL 42 8.658 -0.221 -1.685
334 HB VAL 42 HB VAL 42 8.684 0.634 1.200
335 1HG1 VAL 42 3HG1 VAL 42 9.738 -1.593 0.604
336 2HG1 VAL 42 2HG1 VAL 42 10.720 -0.758 -0.601
337 3HG1 VAL 42 1HG1 VAL 42 10.951 -0.372 1.093
338 1HG2 VAL 42 2HG2 VAL 42 10.431 1.588 -1.125
339 2HG2 VAL 42 1HG2 VAL 42 9.268 2.556 -0.257
340 3HG2 VAL 42 3HG2 VAL 42 10.693 1.993 0.558
341 H PHE 43 H PHE 43 8.312 -2.436 -1.298
342 HA PHE 43 HA PHE 43 5.666 -3.278 -0.543
343 1HB PHE 43 2HB PHE 43 7.940 -4.550 -1.745
344 2HB PHE 43 1HB PHE 43 6.987 -5.646 -0.760
345 HD1 PHE 43 HD2 PHE 43 4.597 -6.021 -1.300
346 HD2 PHE 43 HD1 PHE 43 7.034 -3.604 -3.775
347 HE1 PHE 43 HE2 PHE 43 2.924 -6.148 -3.114
348 HE2 PHE 43 HE1 PHE 43 5.386 -3.718 -5.570
349 HZ PHE 43 HZ PHE 43 3.315 -5.003 -5.242
350 H ASP 44 H ASP 44 5.220 -4.818 1.331
351 HA ASP 44 HA ASP 44 6.927 -4.236 3.660
352 1HB ASP 44 2HB ASP 44 4.951 -4.816 4.866
353 2HB ASP 44 1HB ASP 44 4.288 -4.258 3.346
354 H ALA 45 H ALA 45 7.175 -6.129 5.226
355 HA ALA 45 HA ALA 45 8.554 -8.372 3.891
356 1HB ALA 45 2HB ALA 45 9.230 -6.966 6.451
357 2HB ALA 45 1HB ALA 45 10.096 -8.348 5.804
358 3HB ALA 45 3HB ALA 45 10.047 -6.847 4.897
359 H ALA 46 H ALA 46 5.837 -7.929 5.583
360 HA ALA 46 HA ALA 46 5.922 -10.468 7.169
361 1HB ALA 46 3HB ALA 46 4.206 -7.978 7.412
362 2HB ALA 46 2HB ALA 46 4.076 -9.372 8.469
363 3HB ALA 46 1HB ALA 46 5.541 -8.402 8.456
364 H LEU 47 H LEU 47 3.572 -8.560 5.394
365 HA LEU 47 HA LEU 47 1.899 -10.873 4.676
366 1HB LEU 47 2HB LEU 47 1.589 -7.943 3.941
367 2HB LEU 47 1HB LEU 47 0.341 -9.160 3.896
368 HG LEU 47 HG LEU 47 1.118 -9.307 6.573
369 1HD1 LEU 47 3HD1 LEU 47 2.654 -7.298 6.198
370 2HD1 LEU 47 2HD1 LEU 47 1.275 -6.383 5.692
371 3HD1 LEU 47 1HD1 LEU 47 1.379 -6.952 7.348
372 1HD2 LEU 47 1HD2 LEU 47 -1.206 -9.061 5.673
373 2HD2 LEU 47 3HD2 LEU 47 -0.916 -7.959 7.012
374 3HD2 LEU 47 2HD2 LEU 47 -0.889 -7.362 5.359
375 H ASN 48 H ASN 48 3.994 -11.513 3.521
376 HA ASN 48 HA ASN 48 3.768 -10.725 0.629
377 1HB ASN 48 2HB ASN 48 5.764 -9.774 1.574
378 2HB ASN 48 1HB ASN 48 6.214 -11.287 2.348
379 1HD2 ASN 48 2HD2 ASN 48 8.017 -12.251 -0.369
380 2HD2 ASN 48 1HD2 ASN 48 7.846 -12.158 1.310
381 HA PRO 49 HA PRO 49 1.678 -14.701 1.627
382 1HB PRO 49 2HB PRO 49 1.599 -15.424 -1.207
383 2HB PRO 49 1HB PRO 49 0.307 -14.818 -0.177
384 1HG PRO 49 2HG PRO 49 2.334 -13.295 -1.806
385 2HG PRO 49 1HG PRO 49 0.615 -12.925 -1.671
386 1HD PRO 49 2HD PRO 49 2.213 -11.384 -0.301
387 2HD PRO 49 1HD PRO 49 0.972 -12.185 0.692
388 H ALA 50 H ALA 50 4.278 -15.054 -0.735
389 HA ALA 50 HA ALA 50 4.876 -17.797 0.286
390 1HB ALA 50 1HB ALA 50 5.141 -17.200 -2.206
391 2HB ALA 50 3HB ALA 50 6.361 -16.022 -1.736
392 3HB ALA 50 2HB ALA 50 6.664 -17.728 -1.486
393 H LYS 51 H LYS 51 4.885 -16.279 2.229
394 HA LYS 51 HA LYS 51 6.126 -14.662 3.586
395 1HB LYS 51 2HB LYS 51 5.121 -16.757 4.479
396 2HB LYS 51 1HB LYS 51 6.629 -17.592 4.208
397 1HG LYS 51 2HG LYS 51 6.221 -16.876 6.620
398 2HG LYS 51 1HG LYS 51 7.758 -16.378 5.975
399 1HD LYS 51 2HD LYS 51 5.469 -14.410 5.584
400 2HD LYS 51 1HD LYS 51 5.941 -14.673 7.240
401 1HE LYS 51 2HE LYS 51 8.054 -13.789 7.001
402 2HE LYS 51 1HE LYS 51 8.205 -14.147 5.310
403 1HZ LYS 51 2HZ LYS 51 5.985 -12.359 5.681
404 2HZ LYS 51 1HZ LYS 51 7.379 -11.735 6.426
405 3HZ LYS 51 3HZ LYS 51 7.440 -12.108 4.821
406 H SER 52 H SER 52 7.633 -14.242 1.708
407 HA SER 52 HA SER 52 10.484 -14.715 2.478
408 1HB SER 52 2HB SER 52 10.826 -13.735 0.009
409 2HB SER 52 1HB SER 52 10.265 -15.389 0.208
410 HG SER 52 HG SER 52 8.308 -14.818 -0.257
411 H ALA 53 H ALA 53 11.745 -12.658 1.567
412 HA ALA 53 HA ALA 53 10.533 -10.070 2.530
413 1HB ALA 53 3HB ALA 53 12.070 -11.112 4.285
414 2HB ALA 53 2HB ALA 53 13.356 -11.191 3.095
415 3HB ALA 53 1HB ALA 53 12.772 -9.631 3.653
416 H ASP 54 H ASP 54 13.176 -11.585 1.026
417 HA ASP 54 HA ASP 54 14.434 -9.872 -0.646
418 1HB ASP 54 2HB ASP 54 14.769 -12.198 -1.907
419 2HB ASP 54 1HB ASP 54 15.151 -12.191 -0.196
420 H LEU 55 H LEU 55 11.942 -11.964 -1.982
421 HA LEU 55 HA LEU 55 11.477 -10.731 -4.438
422 1HB LEU 55 2HB LEU 55 10.500 -12.897 -3.542
423 2HB LEU 55 1HB LEU 55 9.398 -12.004 -2.550
424 HG LEU 55 HG LEU 55 8.311 -12.903 -4.608
425 1HD1 LEU 55 2HD1 LEU 55 7.408 -10.762 -3.668
426 2HD1 LEU 55 1HD1 LEU 55 8.457 -9.848 -4.745
427 3HD1 LEU 55 3HD1 LEU 55 7.216 -10.880 -5.403
428 1HD2 LEU 55 1HD2 LEU 55 10.279 -12.788 -6.101
429 2HD2 LEU 55 3HD2 LEU 55 8.889 -11.984 -6.795
430 3HD2 LEU 55 2HD2 LEU 55 10.188 -11.030 -6.111
431 H ALA 56 H ALA 56 9.353 -10.137 -1.703
432 HA ALA 56 HA ALA 56 7.913 -7.939 -2.456
433 1HB ALA 56 1HB ALA 56 9.242 -8.445 0.250
434 2HB ALA 56 3HB ALA 56 7.863 -7.394 0.018
435 3HB ALA 56 2HB ALA 56 7.714 -9.099 -0.294
436 H LYS 57 H LYS 57 11.026 -7.407 -0.823
437 HA LYS 57 HA LYS 57 10.933 -4.560 -1.647
438 1HB LYS 57 2HB LYS 57 13.322 -6.140 -0.452
439 2HB LYS 57 1HB LYS 57 13.098 -4.415 -0.302
440 1HG LYS 57 2HG LYS 57 11.316 -6.580 0.972
441 2HG LYS 57 1HG LYS 57 12.579 -5.746 1.804
442 1HD LYS 57 2HD LYS 57 10.289 -4.140 0.568
443 2HD LYS 57 1HD LYS 57 10.036 -4.994 2.059
444 1HE LYS 57 2HE LYS 57 12.018 -3.739 3.049
445 2HE LYS 57 1HE LYS 57 12.107 -2.801 1.559
446 1HZ LYS 57 3HZ LYS 57 9.416 -2.865 2.371
447 2HZ LYS 57 2HZ LYS 57 10.250 -2.400 3.736
448 3HZ LYS 57 1HZ LYS 57 10.333 -1.493 2.376
449 H SER 58 H SER 58 12.227 -7.403 -3.034
450 HA SER 58 HA SER 58 14.182 -6.144 -4.799
451 1HB SER 58 2HB SER 58 14.041 -8.665 -4.528
452 2HB SER 58 1HB SER 58 12.501 -8.636 -5.405
453 HG SER 58 HG SER 58 13.726 -8.421 -7.184
454 H LEU 59 H LEU 59 10.868 -6.922 -4.864
455 HA LEU 59 HA LEU 59 10.023 -5.937 -7.412
456 1HB LEU 59 2HB LEU 59 8.917 -7.740 -6.138
457 2HB LEU 59 1HB LEU 59 8.535 -6.637 -4.848
458 HG LEU 59 HG LEU 59 7.088 -5.314 -6.425
459 1HD1 LEU 59 2HD1 LEU 59 7.657 -7.671 -8.286
460 2HD1 LEU 59 1HD1 LEU 59 6.481 -6.402 -8.576
461 3HD1 LEU 59 3HD1 LEU 59 8.187 -6.015 -8.558
462 1HD2 LEU 59 1HD2 LEU 59 6.511 -8.304 -6.204
463 2HD2 LEU 59 3HD2 LEU 59 6.182 -7.108 -4.956
464 3HD2 LEU 59 2HD2 LEU 59 5.311 -7.055 -6.473
465 H SER 60 H SER 60 9.288 -4.389 -4.106
466 HA SER 60 HA SER 60 8.050 -2.170 -5.262
467 1HB SER 60 2HB SER 60 9.115 -2.938 -2.751
468 2HB SER 60 1HB SER 60 9.684 -1.281 -3.019
469 HG SER 60 HG SER 60 7.569 -0.599 -3.220
470 H HIS 61 H HIS 61 8.516 0.114 -4.865
471 HA HIS 61 HA HIS 61 10.502 0.855 -6.860
472 1HB HIS 61 2HB HIS 61 8.344 2.238 -5.288
473 2HB HIS 61 1HB HIS 61 9.703 3.277 -5.668
474 HD1 HIS 61 HD1 HIS 61 10.391 2.672 -8.398
475 HD2 HIS 61 HD2 HIS 61 6.479 2.508 -7.278
476 HE1 HIS 61 HE1 HIS 61 9.047 2.924 -10.483
477 H LYS 62 H LYS 62 12.112 2.469 -6.416
478 HA LYS 62 HA LYS 62 13.390 2.255 -3.693
479 1HB LYS 62 2HB LYS 62 14.864 1.953 -6.363
480 2HB LYS 62 1HB LYS 62 15.507 1.612 -4.757
481 1HG LYS 62 2HG LYS 62 13.448 0.000 -4.464
482 2HG LYS 62 1HG LYS 62 13.170 0.183 -6.183
483 1HD LYS 62 2HD LYS 62 15.281 -1.010 -6.663
484 2HD LYS 62 1HD LYS 62 15.480 -1.273 -4.924
485 1HE LYS 62 2HE LYS 62 12.980 -2.110 -4.956
486 2HE LYS 62 1HE LYS 62 13.128 -2.174 -6.700
487 1HZ LYS 62 3HZ LYS 62 15.389 -3.463 -5.566
488 2HZ LYS 62 2HZ LYS 62 13.936 -3.979 -4.807
489 3HZ LYS 62 1HZ LYS 62 14.094 -4.147 -6.458
490 H GLN 63 H GLN 63 13.034 3.899 -6.626
491 HA GLN 63 HA GLN 63 14.355 6.333 -5.624
492 1HB GLN 63 2HB GLN 63 14.509 6.928 -7.956
493 2HB GLN 63 1HB GLN 63 14.639 5.193 -7.991
494 1HG GLN 63 2HG GLN 63 12.233 6.891 -8.810
495 2HG GLN 63 1HG GLN 63 13.047 5.663 -9.738
496 1HE2 GLN 63 2HE2 GLN 63 9.696 4.626 -8.218
497 2HE2 GLN 63 1HE2 GLN 63 10.171 6.193 -8.665
498 H LEU 64 H LEU 64 12.711 8.376 -6.654
499 HA LEU 64 HA LEU 64 9.980 7.736 -5.561
500 1HB LEU 64 2HB LEU 64 10.046 9.964 -4.410
501 2HB LEU 64 1HB LEU 64 11.316 8.897 -3.879
502 HG LEU 64 HG LEU 64 12.863 10.134 -5.568
503 1HD1 LEU 64 2HD1 LEU 64 10.601 12.162 -5.286
504 2HD1 LEU 64 1HD1 LEU 64 12.167 12.460 -6.009
505 3HD1 LEU 64 3HD1 LEU 64 11.051 11.359 -6.776
506 1HD2 LEU 64 2HD2 LEU 64 11.719 11.593 -3.148
507 2HD2 LEU 64 1HD2 LEU 64 12.973 10.369 -3.101
508 3HD2 LEU 64 3HD2 LEU 64 13.275 11.901 -3.892
509 H LEU 65 H LEU 65 8.257 9.213 -6.196
510 HA LEU 65 HA LEU 65 8.414 9.745 -9.101
511 1HB LEU 65 2HB LEU 65 6.076 10.112 -7.181
512 2HB LEU 65 1HB LEU 65 6.011 9.994 -8.925
513 HG LEU 65 HG LEU 65 6.906 7.722 -7.078
514 1HD1 LEU 65 3HD1 LEU 65 4.463 8.268 -7.009
515 2HD1 LEU 65 2HD1 LEU 65 4.382 8.102 -8.751
516 3HD1 LEU 65 1HD1 LEU 65 4.764 6.710 -7.761
517 1HD2 LEU 65 2HD2 LEU 65 7.957 7.682 -9.374
518 2HD2 LEU 65 1HD2 LEU 65 6.815 6.379 -9.125
519 3HD2 LEU 65 3HD2 LEU 65 6.349 7.777 -10.080
520 H MET 66 H MET 66 10.015 11.282 -8.662
521 HA MET 66 HA MET 66 9.767 13.854 -7.509
522 1HB MET 66 2HB MET 66 11.894 12.725 -8.277
523 2HB MET 66 1HB MET 66 11.422 13.003 -9.932
524 1HG MET 66 2HG MET 66 11.521 15.421 -9.619
525 2HG MET 66 1HG MET 66 11.777 15.248 -7.909
526 1HE MET 66 2HE MET 66 13.905 15.452 -6.834
527 2HE MET 66 1HE MET 66 13.995 13.687 -7.065
528 3HE MET 66 3HE MET 66 15.377 14.706 -7.415
529 H SER 67 H SER 67 8.317 12.895 -10.499
530 HA SER 67 HA SER 67 7.854 15.767 -11.274
531 1HB SER 67 2HB SER 67 7.598 13.249 -12.911
532 2HB SER 67 1HB SER 67 7.315 14.894 -13.503
533 HG SER 67 HG SER 67 9.628 14.730 -12.035
534 HA PRO 68 HA PRO 68 3.726 15.056 -9.114
535 1HB PRO 68 2HB PRO 68 3.146 17.669 -10.293
536 2HB PRO 68 1HB PRO 68 3.367 17.268 -8.592
537 1HG PRO 68 2HG PRO 68 5.424 18.207 -10.621
538 2HG PRO 68 1HG PRO 68 5.393 18.534 -8.889
539 1HD PRO 68 2HD PRO 68 7.160 16.800 -9.795
540 2HD PRO 68 1HD PRO 68 6.231 16.265 -8.386
541 H GLY 69 H GLY 69 2.409 13.674 -10.022
542 1HA GLY 69 2HA GLY 69 0.464 13.330 -11.542
543 2HA GLY 69 1HA GLY 69 1.361 14.155 -12.816
544 H GLN 70 H GLN 70 3.768 13.012 -12.538
545 HA GLN 70 HA GLN 70 4.319 11.137 -14.193
546 1HB GLN 70 2HB GLN 70 5.951 11.935 -12.720
547 2HB GLN 70 1HB GLN 70 5.193 11.270 -11.308
548 1HG GLN 70 2HG GLN 70 5.917 8.999 -11.887
549 2HG GLN 70 1HG GLN 70 6.460 9.514 -13.479
550 1HE2 GLN 70 2HE2 GLN 70 9.587 9.685 -11.848
551 2HE2 GLN 70 1HE2 GLN 70 8.641 8.721 -12.891
552 H SER 71 H SER 71 3.560 9.433 -15.040
553 HA SER 71 HA SER 71 2.005 7.357 -13.618
554 1HB SER 71 2HB SER 71 1.499 6.714 -16.056
555 2HB SER 71 1HB SER 71 1.001 8.354 -15.613
556 HG SER 71 HG SER 71 3.335 7.454 -16.921
557 H THR 72 H THR 72 3.546 5.988 -12.628
558 HA THR 72 HA THR 72 5.546 4.679 -14.496
559 HB THR 72 HB THR 72 6.616 5.817 -12.567
560 HG1 THR 72 HG1 THR 72 7.074 3.335 -11.771
561 1HG2 THR 72 1HG2 THR 72 5.267 3.605 -10.928
562 2HG2 THR 72 3HG2 THR 72 6.424 4.784 -10.352
563 3HG2 THR 72 2HG2 THR 72 4.807 5.293 -10.796
564 H SER 73 H SER 73 5.363 2.548 -14.916
565 HA SER 73 HA SER 73 3.293 0.998 -13.364
566 1HB SER 73 2HB SER 73 2.650 1.434 -15.654
567 2HB SER 73 1HB SER 73 4.081 0.567 -16.232
568 HG SER 73 HG SER 73 2.283 -0.578 -14.323
569 H THR 74 H THR 74 3.463 -1.161 -13.009
570 HA THR 74 HA THR 74 6.126 -2.515 -13.276
571 HB THR 74 HB THR 74 4.481 -2.515 -10.677
572 HG1 THR 74 HG1 THR 74 6.374 -0.879 -11.813
573 1HG2 THR 74 3HG2 THR 74 7.371 -3.331 -11.301
574 2HG2 THR 74 2HG2 THR 74 6.546 -3.463 -9.767
575 3HG2 THR 74 1HG2 THR 74 6.096 -4.531 -11.087
576 H THR 75 H THR 75 6.073 -4.623 -13.721
577 HA THR 75 HA THR 75 3.395 -6.009 -14.015
578 HB THR 75 HB THR 75 6.007 -6.572 -15.535
579 HG1 THR 75 HG1 THR 75 4.947 -5.557 -17.078
580 1HG2 THR 75 2HG2 THR 75 3.179 -7.770 -15.901
581 2HG2 THR 75 1HG2 THR 75 4.600 -8.167 -16.838
582 3HG2 THR 75 3HG2 THR 75 4.479 -8.692 -15.181
583 H PHE 76 H PHE 76 3.316 -8.293 -13.389
584 HA PHE 76 HA PHE 76 5.399 -8.991 -11.340
585 1HB PHE 76 2HB PHE 76 2.478 -9.844 -11.515
586 2HB PHE 76 1HB PHE 76 3.575 -10.216 -10.199
587 HD1 PHE 76 HD1 PHE 76 1.816 -7.483 -11.956
588 HD2 PHE 76 HD2 PHE 76 4.092 -8.538 -8.530
589 HE1 PHE 76 HE1 PHE 76 1.282 -5.335 -10.963
590 HE2 PHE 76 HE2 PHE 76 3.548 -6.360 -7.508
591 HZ PHE 76 HZ PHE 76 2.140 -4.754 -8.723
592 HA PRO 77 HA PRO 77 5.958 -12.755 -13.656
593 1HB PRO 77 2HB PRO 77 8.809 -12.283 -13.848
594 2HB PRO 77 1HB PRO 77 7.661 -12.559 -15.121
595 1HG PRO 77 2HG PRO 77 8.852 -9.968 -14.736
596 2HG PRO 77 1HG PRO 77 7.266 -10.165 -15.480
597 1HD PRO 77 2HD PRO 77 7.806 -9.583 -12.480
598 2HD PRO 77 1HD PRO 77 6.673 -8.782 -13.584
599 H ALA 78 H ALA 78 8.880 -11.531 -12.294
600 HA ALA 78 HA ALA 78 10.021 -12.997 -10.506
601 1HB ALA 78 1HB ALA 78 10.237 -10.429 -10.455
602 2HB ALA 78 3HB ALA 78 8.709 -10.355 -9.584
603 3HB ALA 78 2HB ALA 78 10.112 -11.080 -8.827
604 H ASP 79 H ASP 79 8.819 -14.707 -10.405
605 HA ASP 79 HA ASP 79 6.386 -15.337 -9.812
606 1HB ASP 79 2HB ASP 79 9.080 -16.432 -8.506
607 2HB ASP 79 1HB ASP 79 7.720 -17.522 -8.705
608 H ALA 80 H ALA 80 5.674 -13.820 -9.214
609 HA ALA 80 HA ALA 80 4.884 -13.505 -6.342
610 1HB ALA 80 3HB ALA 80 4.807 -11.624 -8.760
611 2HB ALA 80 2HB ALA 80 4.239 -11.156 -7.166
612 3HB ALA 80 1HB ALA 80 5.934 -11.524 -7.431
613 HA PRO 81 HA PRO 81 0.998 -15.172 -8.397
614 1HB PRO 81 2HB PRO 81 0.911 -17.658 -7.485
615 2HB PRO 81 1HB PRO 81 2.168 -17.232 -8.644
616 1HG PRO 81 2HG PRO 81 2.353 -17.127 -5.554
617 2HG PRO 81 1HG PRO 81 3.357 -18.131 -6.611
618 1HD PRO 81 2HD PRO 81 4.217 -15.627 -5.841
619 2HD PRO 81 1HD PRO 81 4.506 -16.250 -7.485
620 H ALA 82 H ALA 82 -0.700 -16.623 -7.086
621 HA ALA 82 HA ALA 82 -2.438 -15.236 -5.748
622 1HB ALA 82 2HB ALA 82 -2.632 -17.607 -6.260
623 2HB ALA 82 1HB ALA 82 -1.524 -18.007 -4.971
624 3HB ALA 82 3HB ALA 82 -3.123 -17.381 -4.580
625 H GLY 83 H GLY 83 -3.042 -14.312 -3.933
626 1HA GLY 83 2HA GLY 83 -2.930 -14.219 -1.374
627 2HA GLY 83 1HA GLY 83 -1.196 -14.267 -1.533
628 H GLU 84 H GLU 84 -2.093 -12.550 0.037
629 HA GLU 84 HA GLU 84 -2.469 -9.891 -1.185
630 1HB GLU 84 2HB GLU 84 -2.539 -10.709 1.725
631 2HB GLU 84 1HB GLU 84 -3.150 -9.208 1.060
632 1HG GLU 84 2HG GLU 84 -5.016 -10.854 1.550
633 2HG GLU 84 1HG GLU 84 -4.960 -10.533 -0.162
634 H TYR 85 H TYR 85 -0.830 -8.670 -1.600
635 HA TYR 85 HA TYR 85 1.649 -8.573 0.128
636 1HB TYR 85 2HB TYR 85 1.430 -7.563 -2.694
637 2HB TYR 85 1HB TYR 85 2.871 -7.764 -1.726
638 HD1 TYR 85 HD2 TYR 85 0.146 -9.752 -3.348
639 HD2 TYR 85 HD1 TYR 85 4.173 -9.680 -1.915
640 HE1 TYR 85 HE2 TYR 85 0.584 -11.946 -4.396
641 HE2 TYR 85 HE1 TYR 85 4.561 -11.877 -2.981
642 HH TYR 85 HH TYR 85 1.969 -13.522 -4.673
643 H THR 86 H THR 86 2.242 -6.469 1.101
644 HA THR 86 HA THR 86 0.501 -4.145 0.318
645 HB THR 86 HB THR 86 1.741 -4.824 3.016
646 HG1 THR 86 HG1 THR 86 -0.190 -5.587 2.874
647 1HG2 THR 86 1HG2 THR 86 0.118 -2.357 2.176
648 2HG2 THR 86 3HG2 THR 86 0.686 -2.750 3.803
649 3HG2 THR 86 2HG2 THR 86 1.834 -2.270 2.568
650 H PHE 87 H PHE 87 1.279 -2.328 -0.291
651 HA PHE 87 HA PHE 87 4.153 -1.808 -0.320
652 1HB PHE 87 2HB PHE 87 3.179 -0.111 -2.226
653 2HB PHE 87 1HB PHE 87 3.935 -1.666 -2.505
654 HD1 PHE 87 HD2 PHE 87 2.423 -3.687 -2.461
655 HD2 PHE 87 HD1 PHE 87 0.986 0.256 -2.967
656 HE1 PHE 87 HE2 PHE 87 0.422 -4.590 -3.465
657 HE2 PHE 87 HE1 PHE 87 -1.054 -0.605 -3.999
658 HZ PHE 87 HZ PHE 87 -1.373 -3.045 -4.273
659 H TYR 88 H TYR 88 4.721 -0.019 0.992
660 HA TYR 88 HA TYR 88 2.656 2.000 1.635
661 1HB TYR 88 2HB TYR 88 3.955 2.346 3.761
662 2HB TYR 88 1HB TYR 88 3.384 0.699 3.564
663 HD1 TYR 88 HD1 TYR 88 4.969 -1.121 2.878
664 HD2 TYR 88 HD2 TYR 88 6.298 2.843 3.671
665 HE1 TYR 88 HE1 TYR 88 7.252 -1.917 3.021
666 HE2 TYR 88 HE2 TYR 88 8.570 2.049 3.807
667 HH TYR 88 HH TYR 88 9.762 0.432 3.971
668 H CYS 89 H CYS 89 3.021 4.156 1.341
669 HA CYS 89 HA CYS 89 5.363 4.974 -0.299
670 1HB CYS 89 2HB CYS 89 3.010 5.789 -0.762
671 2HB CYS 89 1HB CYS 89 3.071 6.611 0.776
672 H GLU 90 H GLU 90 6.613 4.292 1.745
673 HA GLU 90 HA GLU 90 7.137 5.234 4.126
674 1HB GLU 90 2HB GLU 90 8.678 3.953 2.722
675 2HB GLU 90 1HB GLU 90 9.225 5.362 1.878
676 1HG GLU 90 2HG GLU 90 10.790 4.753 3.782
677 2HG GLU 90 1HG GLU 90 10.077 6.318 4.103
678 HA PRO 91 HA PRO 91 8.862 9.772 3.435
679 1HB PRO 91 2HB PRO 91 7.986 10.940 1.044
680 2HB PRO 91 1HB PRO 91 9.582 10.215 1.282
681 1HG PRO 91 2HG PRO 91 7.029 8.862 0.240
682 2HG PRO 91 1HG PRO 91 8.618 8.914 -0.552
683 1HD PRO 91 2HD PRO 91 8.037 6.734 0.867
684 2HD PRO 91 1HD PRO 91 9.598 7.495 1.254
685 H HIS 92 HN HIP 92 5.779 8.755 2.505
686 HA HIS 92 HA HIP 92 4.431 11.007 3.970
687 1HB HIS 92 2HB HIP 92 3.437 9.313 1.668
688 2HB HIS 92 1HB HIP 92 2.454 10.495 2.503
689 HD2 HIS 92 HD2 HIP 92 4.535 13.093 2.442
690 HE1 HIS 92 HE1 HIP 92 4.371 12.364 -1.665
691 HE2 HIS 92 HE2 HIP 92 4.898 13.984 0.061
692 H ARG 93 H ARG 93 5.357 8.080 4.553
693 HA ARG 93 HA ARG 93 2.894 6.733 5.462
694 1HB ARG 93 2HB ARG 93 4.933 5.680 4.467
695 2HB ARG 93 1HB ARG 93 5.867 6.113 5.836
696 1HG ARG 93 2HG ARG 93 3.468 4.172 5.698
697 2HG ARG 93 1HG ARG 93 5.132 3.705 5.911
698 1HD ARG 93 2HD ARG 93 3.476 5.214 7.985
699 2HD ARG 93 1HD ARG 93 3.789 3.500 8.012
700 HE ARG 93 HE ARG 93 5.578 4.723 9.412
701 1HH1 ARG 93 2HH1 ARG 93 6.965 3.053 7.549
702 2HH1 ARG 93 1HH1 ARG 93 8.163 4.150 6.973
703 1HH2 ARG 93 1HH2 ARG 93 6.384 6.825 8.094
704 2HH2 ARG 93 2HH2 ARG 93 7.855 6.304 7.284
705 H GLY 94 H GLY 94 2.484 8.641 6.361
706 1HA GLY 94 2HA GLY 94 2.657 8.866 9.308
707 2HA GLY 94 1HA GLY 94 3.008 10.330 8.369
708 H ALA 95 H ALA 95 1.275 9.841 6.240
709 HA ALA 95 HA ALA 95 -1.397 10.287 7.521
710 1HB ALA 95 3HB ALA 95 -0.247 11.152 4.817
711 2HB ALA 95 2HB ALA 95 -1.842 11.570 5.413
712 3HB ALA 95 1HB ALA 95 -0.416 12.182 6.235
713 H GLY 96 H GLY 96 -0.597 7.752 7.289
714 1HA GLY 96 2HA GLY 96 -1.689 5.669 6.843
715 2HA GLY 96 1HA GLY 96 -2.762 6.501 5.749
716 H MET 97 H MET 97 -1.509 7.276 3.814
717 HA MET 97 HA MET 97 -1.167 6.120 1.664
718 1HB MET 97 2HB MET 97 1.543 6.819 2.874
719 2HB MET 97 1HB MET 97 1.151 6.687 1.169
720 1HG MET 97 2HG MET 97 -0.763 8.488 2.245
721 2HG MET 97 1HG MET 97 0.755 8.962 2.909
722 1HE MET 97 1HE MET 97 -1.525 8.450 0.194
723 2HE MET 97 3HE MET 97 -1.386 10.053 -0.508
724 3HE MET 97 2HE MET 97 -0.635 8.669 -1.300
725 H VAL 98 H VAL 98 -1.622 3.773 2.912
726 HA VAL 98 HA VAL 98 0.529 1.885 2.091
727 HB VAL 98 HB VAL 98 -0.716 0.302 3.593
728 1HG1 VAL 98 3HG1 VAL 98 0.668 2.725 4.782
729 2HG1 VAL 98 2HG1 VAL 98 0.444 1.206 5.621
730 3HG1 VAL 98 1HG1 VAL 98 1.459 1.282 4.197
731 1HG2 VAL 98 3HG2 VAL 98 -2.818 1.652 3.953
732 2HG2 VAL 98 2HG2 VAL 98 -1.989 1.325 5.472
733 3HG2 VAL 98 1HG2 VAL 98 -1.851 2.884 4.715
734 H GLY 99 H GLY 99 0.047 0.705 0.189
735 1HA GLY 99 2HA GLY 99 -2.864 0.075 -0.440
736 2HA GLY 99 1HA GLY 99 -1.626 0.335 -1.660
737 H LYS 100 H LYS 100 -3.279 -1.957 -1.470
738 HA LYS 100 HA LYS 100 -1.091 -3.972 -1.316
739 1HB LYS 100 2HB LYS 100 -3.042 -5.556 -0.268
740 2HB LYS 100 1HB LYS 100 -1.902 -4.680 0.703
741 1HG LYS 100 2HG LYS 100 -4.466 -3.282 -0.104
742 2HG LYS 100 1HG LYS 100 -4.556 -4.533 1.127
743 1HD LYS 100 2HD LYS 100 -2.992 -3.458 2.568
744 2HD LYS 100 1HD LYS 100 -2.341 -2.438 1.327
745 1HE LYS 100 2HE LYS 100 -4.533 -1.211 1.249
746 2HE LYS 100 1HE LYS 100 -5.082 -2.199 2.613
747 1HZ LYS 100 2HZ LYS 100 -2.461 -1.294 3.133
748 2HZ LYS 100 1HZ LYS 100 -3.346 0.054 2.661
749 3HZ LYS 100 3HZ LYS 100 -3.847 -0.859 4.003
750 H ILE 101 H ILE 101 -1.175 -5.658 -2.485
751 HA ILE 101 HA ILE 101 -3.248 -5.840 -4.668
752 HB ILE 101 HB ILE 101 -0.545 -5.437 -5.060
753 1HG1 ILE 101 2HG1 ILE 101 -2.593 -6.881 -6.772
754 2HG1 ILE 101 1HG1 ILE 101 -2.215 -5.178 -6.764
755 1HG2 ILE 101 3HG2 ILE 101 0.009 -7.773 -4.191
756 2HG2 ILE 101 2HG2 ILE 101 -0.983 -8.445 -5.468
757 3HG2 ILE 101 1HG2 ILE 101 0.477 -7.568 -5.860
758 1HD1 ILE 101 2HD1 ILE 101 0.101 -5.660 -7.657
759 2HD1 ILE 101 1HD1 ILE 101 -0.289 -7.364 -7.739
760 3HD1 ILE 101 3HD1 ILE 101 -1.129 -6.242 -8.749
761 H THR 102 H THR 102 -4.379 -7.636 -4.706
762 HA THR 102 HA THR 102 -3.736 -10.053 -3.041
763 HB THR 102 HB THR 102 -6.456 -8.970 -3.945
764 HG1 THR 102 HG1 THR 102 -5.616 -9.441 -1.354
765 1HG2 THR 102 2HG2 THR 102 -5.693 -11.241 -2.044
766 2HG2 THR 102 1HG2 THR 102 -7.315 -10.709 -2.418
767 3HG2 THR 102 3HG2 THR 102 -6.349 -11.533 -3.631
768 H VAL 103 H VAL 103 -2.661 -11.416 -4.594
769 HA VAL 103 HA VAL 103 -3.829 -11.443 -7.320
770 HB VAL 103 HB VAL 103 -1.506 -13.166 -6.376
771 1HG1 VAL 103 2HG1 VAL 103 -2.098 -11.914 -9.069
772 2HG1 VAL 103 1HG1 VAL 103 -0.714 -12.911 -8.645
773 3HG1 VAL 103 3HG1 VAL 103 -2.314 -13.605 -8.635
774 1HG2 VAL 103 2HG2 VAL 103 -1.291 -10.246 -7.101
775 2HG2 VAL 103 1HG2 VAL 103 -0.957 -10.956 -5.551
776 3HG2 VAL 103 3HG2 VAL 103 0.050 -11.366 -6.920
777 H ALA 104 H ALA 104 -4.928 -12.937 -8.193
778 HA ALA 104 HA ALA 104 -5.905 -15.287 -6.610
779 1HB ALA 104 3HB ALA 104 -7.590 -13.536 -7.236
780 2HB ALA 104 2HB ALA 104 -7.148 -13.715 -8.928
781 3HB ALA 104 1HB ALA 104 -7.943 -15.036 -8.088
782 H GLY 105 HN GLY 105 -3.825 -16.126 -7.271
783 1HA GLY 105 2HA GLY 105 -3.560 -18.383 -8.552
784 2HA GLY 105 1HA GLY 105 -3.631 -17.357 -9.980
No H/Q in entry = 784
Start of MODEL 12
1 1H GLU 1 3H GLU 1 -4.301 -5.527 -15.868
2 2H GLU 1 2H GLU 1 -4.831 -5.806 -17.479
3 3H GLU 1 1H GLU 1 -3.722 -6.852 -16.691
4 HA GLU 1 HA GLU 1 -2.003 -5.731 -17.267
5 1HB GLU 1 2HB GLU 1 -3.988 -5.046 -19.207
6 2HB GLU 1 1HB GLU 1 -3.448 -3.471 -18.655
7 1HG GLU 1 2HG GLU 1 -1.716 -5.645 -19.953
8 2HG GLU 1 1HG GLU 1 -1.967 -3.997 -20.482
9 H THR 2 H THR 2 -1.066 -3.192 -17.119
10 HA THR 2 HA THR 2 -1.080 -2.364 -14.453
11 HB THR 2 HB THR 2 0.500 -1.826 -16.537
12 HG1 THR 2 HG1 THR 2 0.932 -1.065 -14.426
13 1HG2 THR 2 2HG2 THR 2 -1.199 -0.467 -17.723
14 2HG2 THR 2 1HG2 THR 2 -1.122 0.687 -16.383
15 3HG2 THR 2 3HG2 THR 2 0.315 0.340 -17.323
16 H TYR 3 H TYR 3 -3.000 -2.700 -13.802
17 HA TYR 3 HA TYR 3 -5.291 -1.083 -14.217
18 1HB TYR 3 2HB TYR 3 -4.295 -2.394 -11.636
19 2HB TYR 3 1HB TYR 3 -5.909 -1.773 -11.822
20 HD1 TYR 3 HD2 TYR 3 -7.531 -2.941 -13.296
21 HD2 TYR 3 HD1 TYR 3 -3.674 -4.573 -12.583
22 HE1 TYR 3 HE2 TYR 3 -8.304 -5.150 -14.079
23 HE2 TYR 3 HE1 TYR 3 -4.464 -6.763 -13.354
24 HH TYR 3 HH TYR 3 -7.464 -7.532 -13.419
25 H THR 4 H THR 4 -5.414 1.041 -14.145
26 HA THR 4 HA THR 4 -3.668 2.869 -13.019
27 HB THR 4 HB THR 4 -6.674 3.306 -13.543
28 HG1 THR 4 HG1 THR 4 -4.346 3.573 -15.157
29 1HG2 THR 4 3HG2 THR 4 -4.273 5.174 -13.895
30 2HG2 THR 4 2HG2 THR 4 -5.949 5.553 -14.211
31 3HG2 THR 4 1HG2 THR 4 -5.395 5.314 -12.559
32 H VAL 5 H VAL 5 -3.053 2.768 -10.932
33 HA VAL 5 HA VAL 5 -5.153 3.265 -8.843
34 HB VAL 5 HB VAL 5 -2.294 2.170 -8.542
35 1HG1 VAL 5 2HG1 VAL 5 -3.054 3.481 -6.535
36 2HG1 VAL 5 1HG1 VAL 5 -4.509 2.501 -6.462
37 3HG1 VAL 5 3HG1 VAL 5 -2.936 1.767 -6.187
38 1HG2 VAL 5 3HG2 VAL 5 -3.926 0.555 -9.528
39 2HG2 VAL 5 2HG2 VAL 5 -3.452 0.067 -7.912
40 3HG2 VAL 5 1HG2 VAL 5 -5.017 0.825 -8.179
41 H LYS 6 H LYS 6 -4.989 4.927 -7.544
42 HA LYS 6 HA LYS 6 -3.155 7.166 -8.224
43 1HB LYS 6 2HB LYS 6 -5.525 7.556 -8.679
44 2HB LYS 6 1HB LYS 6 -5.982 6.988 -7.098
45 1HG LYS 6 2HG LYS 6 -5.679 8.934 -6.119
46 2HG LYS 6 1HG LYS 6 -4.097 9.201 -6.777
47 1HD LYS 6 2HD LYS 6 -5.189 10.953 -7.962
48 2HD LYS 6 1HD LYS 6 -5.712 9.682 -9.022
49 1HE LYS 6 2HE LYS 6 -7.589 11.142 -8.351
50 2HE LYS 6 1HE LYS 6 -7.842 9.501 -7.776
51 1HZ LYS 6 1HZ LYS 6 -6.367 10.840 -5.789
52 2HZ LYS 6 3HZ LYS 6 -7.594 11.903 -6.282
53 3HZ LYS 6 2HZ LYS 6 -7.976 10.344 -5.751
54 H LEU 7 H LEU 7 -1.725 7.817 -6.897
55 HA LEU 7 HA LEU 7 -1.567 6.854 -4.092
56 1HB LEU 7 2HB LEU 7 0.496 8.477 -5.575
57 2HB LEU 7 1HB LEU 7 0.773 7.370 -4.265
58 HG LEU 7 HG LEU 7 -0.154 6.376 -7.001
59 1HD1 LEU 7 2HD1 LEU 7 2.011 7.663 -7.179
60 2HD1 LEU 7 1HD1 LEU 7 2.691 6.681 -5.899
61 3HD1 LEU 7 3HD1 LEU 7 2.264 5.963 -7.437
62 1HD2 LEU 7 1HD2 LEU 7 -0.347 4.903 -4.989
63 2HD2 LEU 7 3HD2 LEU 7 0.833 4.304 -6.138
64 3HD2 LEU 7 2HD2 LEU 7 1.369 5.118 -4.678
65 H GLY 8 H GLY 8 -3.243 8.155 -3.504
66 1HA GLY 8 2HA GLY 8 -3.388 10.030 -1.820
67 2HA GLY 8 1HA GLY 8 -2.655 11.073 -3.018
68 H SER 9 H SER 9 -4.969 11.509 -1.657
69 HA SER 9 HA SER 9 -7.086 11.501 -3.813
70 1HB SER 9 2HB SER 9 -7.438 11.477 -0.791
71 2HB SER 9 1HB SER 9 -8.759 11.622 -1.967
72 HG SER 9 HG SER 9 -7.973 9.620 -2.926
73 H ASP 10 H ASP 10 -5.838 13.071 -4.464
74 HA ASP 10 HA ASP 10 -5.005 15.158 -4.928
75 1HB ASP 10 2HB ASP 10 -7.980 15.784 -4.899
76 2HB ASP 10 1HB ASP 10 -6.824 16.065 -6.183
77 H LYS 11 H LYS 11 -7.401 15.812 -2.454
78 HA LYS 11 HA LYS 11 -6.280 18.458 -1.788
79 1HB LYS 11 2HB LYS 11 -8.716 17.753 -1.758
80 2HB LYS 11 1HB LYS 11 -8.359 16.759 -0.353
81 1HG LYS 11 2HG LYS 11 -7.552 18.841 0.874
82 2HG LYS 11 1HG LYS 11 -8.078 19.818 -0.473
83 1HD LYS 11 2HD LYS 11 -9.837 17.981 1.246
84 2HD LYS 11 1HD LYS 11 -9.783 19.728 1.382
85 1HE LYS 11 2HE LYS 11 -10.644 19.917 -0.968
86 2HE LYS 11 1HE LYS 11 -10.755 18.159 -1.050
87 1HZ LYS 11 2HZ LYS 11 -12.715 18.253 0.075
88 2HZ LYS 11 1HZ LYS 11 -11.941 18.997 1.377
89 3HZ LYS 11 3HZ LYS 11 -12.620 19.943 0.155
90 H GLY 12 H GLY 12 -4.174 17.028 -1.487
91 1HA GLY 12 2HA GLY 12 -2.361 16.875 0.157
92 2HA GLY 12 1HA GLY 12 -3.543 17.101 1.438
93 H LEU 13 H LEU 13 -5.171 15.313 1.347
94 HA LEU 13 HA LEU 13 -4.667 13.096 2.637
95 1HB LEU 13 2HB LEU 13 -6.268 13.210 0.075
96 2HB LEU 13 1HB LEU 13 -6.431 11.893 1.215
97 HG LEU 13 HG LEU 13 -6.935 14.844 1.903
98 1HD1 LEU 13 1HD1 LEU 13 -8.845 12.539 1.308
99 2HD1 LEU 13 3HD1 LEU 13 -9.311 14.150 1.829
100 3HD1 LEU 13 2HD1 LEU 13 -8.549 13.917 0.262
101 1HD2 LEU 13 3HD2 LEU 13 -7.579 12.237 3.377
102 2HD2 LEU 13 2HD2 LEU 13 -6.324 13.366 3.862
103 3HD2 LEU 13 1HD2 LEU 13 -8.000 13.854 3.913
104 H LEU 14 H LEU 14 -2.611 12.133 2.580
105 HA LEU 14 HA LEU 14 -1.513 10.898 0.173
106 1HB LEU 14 2HB LEU 14 -0.773 10.622 3.125
107 2HB LEU 14 1HB LEU 14 0.215 10.063 1.807
108 HG LEU 14 HG LEU 14 -0.602 13.002 2.013
109 1HD1 LEU 14 3HD1 LEU 14 1.936 11.606 2.989
110 2HD1 LEU 14 2HD1 LEU 14 1.650 13.336 3.006
111 3HD1 LEU 14 1HD1 LEU 14 0.705 12.276 4.039
112 1HD2 LEU 14 2HD2 LEU 14 1.669 11.523 0.606
113 2HD2 LEU 14 1HD2 LEU 14 0.236 12.155 -0.185
114 3HD2 LEU 14 3HD2 LEU 14 1.382 13.250 0.549
115 H VAL 15 H VAL 15 -3.766 9.819 0.017
116 HA VAL 15 HA VAL 15 -3.853 7.143 1.338
117 HB VAL 15 HB VAL 15 -5.965 8.704 -0.232
118 1HG1 VAL 15 1HG1 VAL 15 -6.335 6.236 1.529
119 2HG1 VAL 15 3HG1 VAL 15 -7.609 7.206 0.813
120 3HG1 VAL 15 2HG1 VAL 15 -6.555 6.299 -0.222
121 1HG2 VAL 15 3HG2 VAL 15 -5.601 8.340 2.777
122 2HG2 VAL 15 2HG2 VAL 15 -5.334 9.827 1.888
123 3HG2 VAL 15 1HG2 VAL 15 -6.950 9.163 2.002
124 H PHE 16 H PHE 16 -4.866 5.419 -0.003
125 HA PHE 16 HA PHE 16 -3.585 5.208 -2.721
126 1HB PHE 16 2HB PHE 16 -3.713 3.343 -0.369
127 2HB PHE 16 1HB PHE 16 -4.037 2.578 -1.905
128 HD1 PHE 16 HD2 PHE 16 -2.339 2.519 -3.659
129 HD2 PHE 16 HD1 PHE 16 -1.487 4.194 0.148
130 HE1 PHE 16 HE2 PHE 16 0.064 2.353 -4.135
131 HE2 PHE 16 HE1 PHE 16 0.927 4.030 -0.318
132 HZ PHE 16 HZ PHE 16 1.705 3.105 -2.459
133 H GLU 17 H GLU 17 -5.122 5.526 -4.124
134 HA GLU 17 HA GLU 17 -7.913 4.511 -3.724
135 1HB GLU 17 2HB GLU 17 -7.617 6.845 -3.575
136 2HB GLU 17 1HB GLU 17 -6.689 6.896 -5.037
137 1HG GLU 17 2HG GLU 17 -8.782 6.348 -6.372
138 2HG GLU 17 1HG GLU 17 -9.700 6.373 -4.883
139 HA PRO 18 HA PRO 18 -9.377 3.142 -4.296
140 1HB PRO 18 2HB PRO 18 -10.417 0.934 -5.442
141 2HB PRO 18 1HB PRO 18 -10.801 2.547 -6.073
142 1HG PRO 18 2HG PRO 18 -8.538 0.654 -6.981
143 2HG PRO 18 1HG PRO 18 -9.820 1.306 -8.003
144 1HD PRO 18 2HD PRO 18 -7.431 2.575 -7.902
145 2HD PRO 18 1HD PRO 18 -8.907 3.564 -7.866
146 H ALA 19 H ALA 19 -7.717 2.737 -2.809
147 HA ALA 19 HA ALA 19 -5.830 1.463 -1.960
148 1HB ALA 19 3HB ALA 19 -8.550 0.763 -0.812
149 2HB ALA 19 2HB ALA 19 -7.033 0.577 0.057
150 3HB ALA 19 1HB ALA 19 -7.571 2.170 -0.435
151 H LYS 20 H LYS 20 -8.310 -0.847 -2.759
152 HA LYS 20 HA LYS 20 -6.199 -3.012 -2.696
153 1HB LYS 20 2HB LYS 20 -9.163 -3.321 -2.332
154 2HB LYS 20 1HB LYS 20 -7.977 -4.615 -2.337
155 1HG LYS 20 2HG LYS 20 -6.766 -3.163 -0.451
156 2HG LYS 20 1HG LYS 20 -8.285 -2.324 -0.349
157 1HD LYS 20 2HD LYS 20 -8.324 -4.055 1.355
158 2HD LYS 20 1HD LYS 20 -9.461 -4.529 0.121
159 1HE LYS 20 2HE LYS 20 -6.597 -5.530 0.015
160 2HE LYS 20 1HE LYS 20 -7.731 -6.311 1.088
161 1HZ LYS 20 3HZ LYS 20 -8.985 -6.041 -1.484
162 2HZ LYS 20 2HZ LYS 20 -7.446 -6.780 -1.633
163 3HZ LYS 20 1HZ LYS 20 -8.469 -7.435 -0.608
164 H LEU 21 H LEU 21 -5.481 -3.594 -4.512
165 HA LEU 21 HA LEU 21 -7.200 -3.894 -6.917
166 1HB LEU 21 2HB LEU 21 -5.198 -2.303 -6.865
167 2HB LEU 21 1HB LEU 21 -4.209 -3.704 -6.659
168 HG LEU 21 HG LEU 21 -4.659 -2.715 -9.177
169 1HD1 LEU 21 1HD1 LEU 21 -3.207 -4.637 -8.575
170 2HD1 LEU 21 3HD1 LEU 21 -4.591 -5.705 -8.526
171 3HD1 LEU 21 2HD1 LEU 21 -4.138 -4.960 -10.026
172 1HD2 LEU 21 1HD2 LEU 21 -7.171 -3.231 -9.157
173 2HD2 LEU 21 3HD2 LEU 21 -6.297 -4.127 -10.385
174 3HD2 LEU 21 2HD2 LEU 21 -6.788 -4.929 -8.932
175 H THR 22 H THR 22 -7.806 -5.955 -7.295
176 HA THR 22 HA THR 22 -6.028 -8.189 -6.402
177 HB THR 22 HB THR 22 -8.913 -8.171 -7.415
178 HG1 THR 22 HG1 THR 22 -7.583 -8.329 -4.858
179 1HG2 THR 22 1HG2 THR 22 -7.317 -10.533 -6.235
180 2HG2 THR 22 3HG2 THR 22 -9.002 -10.497 -6.665
181 3HG2 THR 22 2HG2 THR 22 -7.776 -10.393 -7.911
182 H ILE 23 H ILE 23 -4.368 -7.984 -7.925
183 HA ILE 23 HA ILE 23 -4.888 -8.159 -10.780
184 HB ILE 23 HB ILE 23 -2.367 -8.817 -11.027
185 1HG1 ILE 23 2HG1 ILE 23 -2.007 -8.406 -8.118
186 2HG1 ILE 23 1HG1 ILE 23 -2.394 -9.960 -8.781
187 1HG2 ILE 23 3HG2 ILE 23 -3.006 -6.434 -11.080
188 2HG2 ILE 23 2HG2 ILE 23 -2.608 -6.405 -9.353
189 3HG2 ILE 23 1HG2 ILE 23 -1.383 -6.784 -10.544
190 1HD1 ILE 23 3HD1 ILE 23 0.006 -8.351 -9.768
191 2HD1 ILE 23 2HD1 ILE 23 0.096 -9.734 -8.706
192 3HD1 ILE 23 1HD1 ILE 23 -0.492 -9.931 -10.329
193 H LYS 24 H LYS 24 -3.528 -10.015 -11.892
194 HA LYS 24 HA LYS 24 -4.563 -12.481 -10.646
195 1HB LYS 24 2HB LYS 24 -3.886 -11.834 -13.565
196 2HB LYS 24 1HB LYS 24 -4.437 -13.415 -13.062
197 1HG LYS 24 2HG LYS 24 -6.616 -12.664 -13.355
198 2HG LYS 24 1HG LYS 24 -6.376 -11.742 -11.899
199 1HD LYS 24 2HD LYS 24 -7.140 -10.159 -13.547
200 2HD LYS 24 1HD LYS 24 -5.439 -9.821 -13.293
201 1HE LYS 24 2HE LYS 24 -4.810 -11.001 -15.310
202 2HE LYS 24 1HE LYS 24 -6.451 -11.598 -15.543
203 1HZ LYS 24 2HZ LYS 24 -6.457 -8.752 -15.173
204 2HZ LYS 24 1HZ LYS 24 -5.326 -9.163 -16.297
205 3HZ LYS 24 3HZ LYS 24 -6.953 -9.606 -16.567
206 HA PRO 25 HA PRO 25 -0.175 -13.955 -10.344
207 1HB PRO 25 2HB PRO 25 -0.381 -16.438 -11.596
208 2HB PRO 25 1HB PRO 25 -0.775 -16.130 -9.906
209 1HG PRO 25 2HG PRO 25 -2.673 -16.047 -12.324
210 2HG PRO 25 1HG PRO 25 -2.893 -16.972 -10.830
211 1HD PRO 25 2HD PRO 25 -4.142 -14.631 -10.969
212 2HD PRO 25 1HD PRO 25 -3.161 -14.902 -9.509
213 H GLY 26 H GLY 26 0.190 -12.079 -11.872
214 1HA GLY 26 2HA GLY 26 2.114 -11.948 -13.590
215 2HA GLY 26 1HA GLY 26 1.237 -13.112 -14.535
216 H ASP 27 H ASP 27 0.323 -10.112 -13.012
217 HA ASP 27 HA ASP 27 -0.382 -8.944 -15.667
218 1HB ASP 27 2HB ASP 27 -2.385 -9.970 -14.268
219 2HB ASP 27 1HB ASP 27 -2.137 -8.630 -13.153
220 H THR 28 H THR 28 -0.845 -6.486 -15.226
221 HA THR 28 HA THR 28 1.391 -5.331 -13.682
222 HB THR 28 HB THR 28 0.200 -4.169 -16.168
223 HG1 THR 28 HG1 THR 28 1.339 -5.530 -17.048
224 1HG2 THR 28 2HG2 THR 28 1.753 -2.671 -14.678
225 2HG2 THR 28 1HG2 THR 28 2.947 -3.923 -14.917
226 3HG2 THR 28 3HG2 THR 28 2.331 -3.051 -16.297
227 H VAL 29 H VAL 29 1.225 -3.448 -12.614
228 HA VAL 29 HA VAL 29 -1.474 -2.460 -11.904
229 HB VAL 29 HB VAL 29 0.899 -2.604 -10.147
230 1HG1 VAL 29 2HG1 VAL 29 -1.986 -1.662 -9.664
231 2HG1 VAL 29 1HG1 VAL 29 -0.774 -1.867 -8.418
232 3HG1 VAL 29 3HG1 VAL 29 -0.577 -0.625 -9.625
233 1HG2 VAL 29 3HG2 VAL 29 -1.792 -4.054 -10.215
234 2HG2 VAL 29 2HG2 VAL 29 -0.253 -4.795 -10.607
235 3HG2 VAL 29 1HG2 VAL 29 -0.569 -4.250 -8.970
236 H GLU 30 H GLU 30 -1.683 0.040 -11.947
237 HA GLU 30 HA GLU 30 0.756 1.441 -12.773
238 1HB GLU 30 2HB GLU 30 -0.738 1.773 -14.499
239 2HB GLU 30 1HB GLU 30 -2.130 1.713 -13.467
240 1HG GLU 30 2HG GLU 30 -1.808 4.000 -12.722
241 2HG GLU 30 1HG GLU 30 -0.119 4.021 -13.086
242 H PHE 31 H PHE 31 1.604 2.784 -11.382
243 HA PHE 31 HA PHE 31 0.006 3.704 -9.000
244 1HB PHE 31 2HB PHE 31 3.012 3.403 -9.237
245 2HB PHE 31 1HB PHE 31 2.139 3.777 -7.775
246 HD1 PHE 31 HD1 PHE 31 3.041 1.161 -10.164
247 HD2 PHE 31 HD2 PHE 31 0.840 2.017 -6.629
248 HE1 PHE 31 HE1 PHE 31 2.846 -1.246 -9.701
249 HE2 PHE 31 HE2 PHE 31 0.649 -0.392 -6.162
250 HZ PHE 31 HZ PHE 31 1.652 -2.020 -7.694
251 H LEU 32 H LEU 32 -0.773 5.726 -9.749
252 HA LEU 32 HA LEU 32 1.128 7.670 -10.855
253 1HB LEU 32 2HB LEU 32 -0.996 7.021 -12.025
254 2HB LEU 32 1HB LEU 32 -1.905 7.697 -10.706
255 HG LEU 32 HG LEU 32 0.062 9.383 -12.344
256 1HD1 LEU 32 3HD1 LEU 32 -2.938 8.957 -12.731
257 2HD1 LEU 32 2HD1 LEU 32 -1.936 10.093 -13.623
258 3HD1 LEU 32 1HD1 LEU 32 -1.687 8.366 -13.804
259 1HD2 LEU 32 3HD2 LEU 32 -2.393 10.107 -10.661
260 2HD2 LEU 32 2HD2 LEU 32 -0.725 10.390 -10.176
261 3HD2 LEU 32 1HD2 LEU 32 -1.377 11.226 -11.555
262 H ASN 33 H ASN 33 1.929 9.280 -9.673
263 HA ASN 33 HA ASN 33 0.990 9.696 -6.901
264 1HB ASN 33 2HB ASN 33 3.003 11.208 -6.710
265 2HB ASN 33 1HB ASN 33 3.392 9.612 -7.322
266 1HD2 ASN 33 2HD2 ASN 33 3.975 12.705 -9.690
267 2HD2 ASN 33 1HD2 ASN 33 3.033 12.967 -8.265
268 H ASN 34 H ASN 34 -0.962 10.365 -7.949
269 HA ASN 34 HA ASN 34 -2.283 12.274 -8.897
270 1HB ASN 34 2HB ASN 34 -3.069 10.870 -7.063
271 2HB ASN 34 1HB ASN 34 -2.285 11.856 -5.874
272 1HD2 ASN 34 2HD2 ASN 34 -5.175 14.099 -7.307
273 2HD2 ASN 34 1HD2 ASN 34 -3.747 13.976 -8.222
274 H LYS 35 H LYS 35 -1.770 13.798 -5.863
275 HA LYS 35 HA LYS 35 -0.645 16.190 -7.198
276 1HB LYS 35 2HB LYS 35 -3.106 16.520 -7.009
277 2HB LYS 35 1HB LYS 35 -3.092 15.917 -5.375
278 1HG LYS 35 2HG LYS 35 -3.438 18.322 -5.374
279 2HG LYS 35 1HG LYS 35 -1.968 17.907 -4.534
280 1HD LYS 35 2HD LYS 35 -0.731 18.365 -6.819
281 2HD LYS 35 1HD LYS 35 -2.247 19.057 -7.368
282 1HE LYS 35 2HE LYS 35 -2.182 20.669 -5.474
283 2HE LYS 35 1HE LYS 35 -0.692 19.920 -4.894
284 1HZ LYS 35 3HZ LYS 35 -0.396 20.450 -7.655
285 2HZ LYS 35 2HZ LYS 35 -0.944 21.888 -6.941
286 3HZ LYS 35 1HZ LYS 35 0.476 21.144 -6.384
287 H VAL 36 H VAL 36 -0.237 14.228 -4.989
288 HA VAL 36 HA VAL 36 1.550 15.884 -3.231
289 HB VAL 36 HB VAL 36 0.938 14.258 -1.379
290 1HG1 VAL 36 1HG1 VAL 36 -0.018 16.551 -1.613
291 2HG1 VAL 36 3HG1 VAL 36 -1.279 15.931 -2.666
292 3HG1 VAL 36 2HG1 VAL 36 -1.204 15.431 -0.992
293 1HG2 VAL 36 1HG2 VAL 36 -0.098 12.441 -2.821
294 2HG2 VAL 36 3HG2 VAL 36 -1.220 13.067 -1.623
295 3HG2 VAL 36 2HG2 VAL 36 -1.366 13.564 -3.293
296 HA PRO 37 HA PRO 37 4.460 12.678 -4.612
297 1HB PRO 37 2HB PRO 37 6.338 14.234 -5.761
298 2HB PRO 37 1HB PRO 37 4.811 13.955 -6.605
299 1HG PRO 37 2HG PRO 37 5.468 16.282 -4.676
300 2HG PRO 37 1HG PRO 37 4.977 16.453 -6.359
301 1HD PRO 37 2HD PRO 37 3.157 16.575 -4.346
302 2HD PRO 37 1HD PRO 37 2.710 15.753 -5.860
303 HA PRO 38 HA PRO 38 6.379 11.896 -4.889
304 1HB PRO 38 2HB PRO 38 8.924 11.295 -4.746
305 2HB PRO 38 1HB PRO 38 8.448 12.950 -5.148
306 1HG PRO 38 2HG PRO 38 9.414 11.883 -2.440
307 2HG PRO 38 1HG PRO 38 9.821 13.417 -3.207
308 1HD PRO 38 2HD PRO 38 7.673 12.952 -1.291
309 2HD PRO 38 1HD PRO 38 7.966 14.460 -2.177
310 H HIS 39 HN HIP 39 5.487 9.969 -4.641
311 HA HIS 39 HA HIP 39 5.580 8.557 -2.062
312 1HB HIS 39 2HB HIP 39 4.296 7.646 -4.670
313 2HB HIS 39 1HB HIP 39 3.977 6.969 -3.085
314 HD2 HIS 39 HD2 HIP 39 2.460 9.329 -5.387
315 HE1 HIS 39 HE1 HIP 39 1.452 10.906 -1.682
316 HE2 HIS 39 HE2 HIP 39 1.009 10.958 -4.046
317 H ASN 40 H ASN 40 7.823 8.153 -1.992
318 HA ASN 40 HA ASN 40 9.061 6.107 -3.725
319 1HB ASN 40 2HB ASN 40 10.559 7.829 -2.718
320 2HB ASN 40 1HB ASN 40 9.882 7.567 -1.129
321 1HD2 ASN 40 2HD2 ASN 40 12.583 4.866 -2.329
322 2HD2 ASN 40 1HD2 ASN 40 11.735 5.619 -3.600
323 H VAL 41 H VAL 41 7.466 4.475 -3.526
324 HA VAL 41 HA VAL 41 7.125 3.394 -0.767
325 HB VAL 41 HB VAL 41 5.331 2.211 -1.358
326 1HG1 VAL 41 2HG1 VAL 41 4.882 4.792 -1.590
327 2HG1 VAL 41 1HG1 VAL 41 5.211 4.648 -3.284
328 3HG1 VAL 41 3HG1 VAL 41 3.785 3.895 -2.616
329 1HG2 VAL 41 2HG2 VAL 41 5.938 2.597 -4.335
330 2HG2 VAL 41 1HG2 VAL 41 5.945 1.078 -3.443
331 3HG2 VAL 41 3HG2 VAL 41 4.442 1.904 -3.745
332 H VAL 42 H VAL 42 7.437 1.575 -0.104
333 HA VAL 42 HA VAL 42 9.088 -0.273 -1.715
334 HB VAL 42 HB VAL 42 10.059 -0.932 0.601
335 1HG1 VAL 42 3HG1 VAL 42 11.119 0.965 -0.831
336 2HG1 VAL 42 2HG1 VAL 42 10.041 2.087 -0.051
337 3HG1 VAL 42 1HG1 VAL 42 11.262 1.279 0.887
338 1HG2 VAL 42 2HG2 VAL 42 8.034 -0.199 1.933
339 2HG2 VAL 42 1HG2 VAL 42 9.521 0.545 2.489
340 3HG2 VAL 42 3HG2 VAL 42 8.423 1.466 1.508
341 H PHE 43 H PHE 43 8.724 -2.778 -0.743
342 HA PHE 43 HA PHE 43 5.778 -3.052 -0.688
343 1HB PHE 43 2HB PHE 43 7.949 -4.650 -1.873
344 2HB PHE 43 1HB PHE 43 6.679 -5.586 -1.104
345 HD1 PHE 43 HD1 PHE 43 7.343 -3.021 -3.713
346 HD2 PHE 43 HD2 PHE 43 4.450 -5.579 -1.962
347 HE1 PHE 43 HE1 PHE 43 5.853 -2.570 -5.582
348 HE2 PHE 43 HE2 PHE 43 2.930 -5.139 -3.845
349 HZ PHE 43 HZ PHE 43 3.636 -3.626 -5.661
350 H ASP 44 H ASP 44 4.771 -3.745 0.922
351 HA ASP 44 HA ASP 44 5.731 -3.945 3.539
352 1HB ASP 44 2HB ASP 44 3.471 -3.582 3.594
353 2HB ASP 44 1HB ASP 44 3.246 -4.281 2.005
354 H ALA 45 H ALA 45 5.448 -5.674 4.954
355 HA ALA 45 HA ALA 45 6.572 -8.278 4.156
356 1HB ALA 45 3HB ALA 45 8.091 -6.908 5.404
357 2HB ALA 45 2HB ALA 45 6.929 -6.711 6.710
358 3HB ALA 45 1HB ALA 45 7.639 -8.292 6.385
359 H ALA 46 H ALA 46 4.448 -6.707 6.424
360 HA ALA 46 HA ALA 46 3.327 -8.830 7.889
361 1HB ALA 46 1HB ALA 46 2.098 -6.171 6.993
362 2HB ALA 46 3HB ALA 46 1.485 -7.127 8.332
363 3HB ALA 46 2HB ALA 46 3.076 -6.388 8.434
364 H LEU 47 H LEU 47 2.166 -7.451 4.876
365 HA LEU 47 HA LEU 47 0.275 -9.747 4.609
366 1HB LEU 47 2HB LEU 47 0.316 -6.873 3.847
367 2HB LEU 47 1HB LEU 47 -0.410 -7.902 2.670
368 HG LEU 47 HG LEU 47 -2.104 -6.927 4.282
369 1HD1 LEU 47 3HD1 LEU 47 -2.542 -9.330 3.444
370 2HD1 LEU 47 2HD1 LEU 47 -1.712 -9.912 4.862
371 3HD1 LEU 47 1HD1 LEU 47 -3.194 -9.014 5.039
372 1HD2 LEU 47 2HD2 LEU 47 -0.554 -6.670 6.173
373 2HD2 LEU 47 1HD2 LEU 47 -2.013 -7.516 6.660
374 3HD2 LEU 47 3HD2 LEU 47 -0.526 -8.402 6.410
375 H ASN 48 H ASN 48 3.084 -9.807 3.995
376 HA ASN 48 HA ASN 48 3.124 -10.407 1.074
377 1HB ASN 48 2HB ASN 48 5.057 -9.120 1.838
378 2HB ASN 48 1HB ASN 48 5.222 -10.082 3.280
379 1HD2 ASN 48 2HD2 ASN 48 7.839 -11.746 1.743
380 2HD2 ASN 48 1HD2 ASN 48 7.353 -10.737 3.003
381 HA PRO 49 HA PRO 49 1.269 -14.201 1.876
382 1HB PRO 49 2HB PRO 49 2.758 -15.962 0.166
383 2HB PRO 49 1HB PRO 49 1.357 -15.009 -0.293
384 1HG PRO 49 2HG PRO 49 4.304 -14.222 -0.554
385 2HG PRO 49 1HG PRO 49 3.000 -14.057 -1.730
386 1HD PRO 49 2HD PRO 49 3.702 -11.913 -0.331
387 2HD PRO 49 1HD PRO 49 1.957 -12.249 -0.454
388 H ALA 50 H ALA 50 4.629 -15.072 1.609
389 HA ALA 50 HA ALA 50 4.471 -16.655 4.158
390 1HB ALA 50 3HB ALA 50 5.112 -17.880 2.081
391 2HB ALA 50 2HB ALA 50 6.448 -16.762 1.826
392 3HB ALA 50 1HB ALA 50 6.461 -17.839 3.208
393 H LYS 51 H LYS 51 4.588 -13.983 4.331
394 HA LYS 51 HA LYS 51 5.918 -12.069 4.918
395 1HB LYS 51 2HB LYS 51 5.782 -14.084 7.193
396 2HB LYS 51 1HB LYS 51 6.214 -12.409 7.435
397 1HG LYS 51 2HG LYS 51 3.918 -12.280 7.802
398 2HG LYS 51 1HG LYS 51 3.995 -11.874 6.100
399 1HD LYS 51 2HD LYS 51 3.676 -14.576 5.756
400 2HD LYS 51 1HD LYS 51 3.064 -14.500 7.366
401 1HE LYS 51 2HE LYS 51 2.042 -12.811 5.047
402 2HE LYS 51 1HE LYS 51 1.290 -14.296 5.621
403 1HZ LYS 51 2HZ LYS 51 1.869 -12.705 7.857
404 2HZ LYS 51 1HZ LYS 51 1.187 -11.665 6.760
405 3HZ LYS 51 3HZ LYS 51 0.308 -13.030 7.265
406 H SER 52 H SER 52 7.608 -12.782 3.405
407 HA SER 52 HA SER 52 10.237 -13.325 4.682
408 1HB SER 52 2HB SER 52 10.910 -13.978 2.415
409 2HB SER 52 1HB SER 52 9.317 -14.646 2.705
410 HG SER 52 HG SER 52 10.010 -13.021 0.839
411 H ALA 53 H ALA 53 12.046 -12.103 3.297
412 HA ALA 53 HA ALA 53 11.414 -9.143 3.444
413 1HB ALA 53 1HB ALA 53 14.030 -10.674 3.976
414 2HB ALA 53 3HB ALA 53 13.849 -8.933 4.141
415 3HB ALA 53 2HB ALA 53 12.969 -10.015 5.210
416 H ASP 54 H ASP 54 13.427 -11.483 1.976
417 HA ASP 54 HA ASP 54 14.753 -10.494 -0.131
418 1HB ASP 54 2HB ASP 54 13.866 -12.903 -1.116
419 2HB ASP 54 1HB ASP 54 14.854 -12.873 0.335
420 H LEU 55 H LEU 55 11.392 -11.521 -0.535
421 HA LEU 55 HA LEU 55 11.088 -10.175 -3.080
422 1HB LEU 55 2HB LEU 55 9.589 -12.056 -2.443
423 2HB LEU 55 1HB LEU 55 8.970 -11.155 -1.084
424 HG LEU 55 HG LEU 55 8.072 -9.392 -2.672
425 1HD1 LEU 55 3HD1 LEU 55 8.973 -11.381 -4.821
426 2HD1 LEU 55 2HD1 LEU 55 8.019 -9.944 -5.108
427 3HD1 LEU 55 1HD1 LEU 55 9.678 -9.793 -4.586
428 1HD2 LEU 55 2HD2 LEU 55 7.219 -12.228 -3.302
429 2HD2 LEU 55 1HD2 LEU 55 6.651 -11.255 -1.950
430 3HD2 LEU 55 3HD2 LEU 55 6.284 -10.774 -3.604
431 H ALA 56 H ALA 56 9.540 -9.351 0.025
432 HA ALA 56 HA ALA 56 8.440 -6.894 -0.332
433 1HB ALA 56 1HB ALA 56 10.365 -7.639 1.922
434 2HB ALA 56 3HB ALA 56 9.164 -6.355 2.003
435 3HB ALA 56 2HB ALA 56 8.653 -8.018 1.850
436 H LYS 57 H LYS 57 11.897 -7.271 -0.055
437 HA LYS 57 HA LYS 57 12.350 -4.427 -0.747
438 1HB LYS 57 2HB LYS 57 13.707 -5.855 1.018
439 2HB LYS 57 1HB LYS 57 14.376 -6.706 -0.339
440 1HG LYS 57 2HG LYS 57 15.987 -4.939 0.366
441 2HG LYS 57 1HG LYS 57 15.423 -4.709 -1.259
442 1HD LYS 57 2HD LYS 57 15.404 -2.519 0.045
443 2HD LYS 57 1HD LYS 57 13.861 -2.933 -0.640
444 1HE LYS 57 2HE LYS 57 13.575 -2.104 1.646
445 2HE LYS 57 1HE LYS 57 13.079 -3.788 1.561
446 1HZ LYS 57 2HZ LYS 57 15.870 -3.706 1.985
447 2HZ LYS 57 1HZ LYS 57 15.178 -2.688 3.146
448 3HZ LYS 57 3HZ LYS 57 14.705 -4.316 3.042
449 H SER 58 H SER 58 12.791 -7.476 -2.471
450 HA SER 58 HA SER 58 14.146 -6.223 -4.743
451 1HB SER 58 2HB SER 58 12.450 -8.772 -4.626
452 2HB SER 58 1HB SER 58 13.517 -8.300 -5.970
453 HG SER 58 HG SER 58 14.160 -8.950 -3.308
454 H LEU 59 H LEU 59 10.951 -6.760 -3.746
455 HA LEU 59 HA LEU 59 9.500 -5.806 -6.071
456 1HB LEU 59 2HB LEU 59 8.895 -7.627 -4.283
457 2HB LEU 59 1HB LEU 59 8.450 -6.304 -3.243
458 HG LEU 59 HG LEU 59 6.775 -5.551 -5.000
459 1HD1 LEU 59 3HD1 LEU 59 7.593 -8.162 -6.349
460 2HD1 LEU 59 2HD1 LEU 59 6.255 -7.137 -6.819
461 3HD1 LEU 59 1HD1 LEU 59 7.885 -6.560 -6.995
462 1HD2 LEU 59 2HD2 LEU 59 6.137 -7.137 -3.135
463 2HD2 LEU 59 1HD2 LEU 59 5.222 -7.438 -4.599
464 3HD2 LEU 59 3HD2 LEU 59 6.560 -8.487 -4.168
465 H SER 60 H SER 60 10.234 -4.412 -2.773
466 HA SER 60 HA SER 60 8.854 -1.967 -3.007
467 1HB SER 60 2HB SER 60 10.863 -1.002 -1.576
468 2HB SER 60 1HB SER 60 10.468 -2.617 -0.962
469 HG SER 60 HG SER 60 11.911 -3.228 -2.876
470 H HIS 61 H HIS 61 9.305 0.235 -3.935
471 HA HIS 61 HA HIS 61 10.655 -0.142 -6.497
472 1HB HIS 61 2HB HIS 61 9.659 2.391 -5.088
473 2HB HIS 61 1HB HIS 61 10.210 2.357 -6.756
474 HD1 HIS 61 HD1 HIS 61 7.587 1.073 -4.637
475 HD2 HIS 61 HD2 HIS 61 8.388 1.243 -8.600
476 HE1 HIS 61 HE1 HIS 61 5.474 0.317 -5.834
477 H LYS 62 H LYS 62 12.201 1.880 -7.082
478 HA LYS 62 HA LYS 62 14.497 1.975 -5.149
479 1HB LYS 62 2HB LYS 62 14.836 1.804 -8.182
480 2HB LYS 62 1HB LYS 62 16.072 1.578 -6.972
481 1HG LYS 62 2HG LYS 62 13.736 -0.312 -7.572
482 2HG LYS 62 1HG LYS 62 15.413 -0.612 -7.967
483 1HD LYS 62 2HD LYS 62 16.023 -1.160 -5.781
484 2HD LYS 62 1HD LYS 62 14.904 -0.039 -5.052
485 1HE LYS 62 2HE LYS 62 13.112 -1.772 -6.140
486 2HE LYS 62 1HE LYS 62 14.457 -2.872 -5.926
487 1HZ LYS 62 3HZ LYS 62 14.362 -1.262 -3.612
488 2HZ LYS 62 2HZ LYS 62 12.811 -1.673 -3.949
489 3HZ LYS 62 1HZ LYS 62 13.861 -2.909 -3.711
490 H GLN 63 H GLN 63 12.520 3.627 -7.237
491 HA GLN 63 HA GLN 63 14.192 6.082 -7.089
492 1HB GLN 63 2HB GLN 63 11.913 6.254 -8.989
493 2HB GLN 63 1HB GLN 63 13.604 6.558 -9.268
494 1HG GLN 63 2HG GLN 63 13.070 4.760 -10.794
495 2HG GLN 63 1HG GLN 63 13.878 3.951 -9.476
496 1HE2 GLN 63 2HE2 GLN 63 10.081 2.987 -10.298
497 2HE2 GLN 63 1HE2 GLN 63 10.878 4.162 -11.221
498 H LEU 64 H LEU 64 12.475 8.036 -7.544
499 HA LEU 64 HA LEU 64 10.335 7.931 -5.460
500 1HB LEU 64 2HB LEU 64 12.370 10.175 -5.888
501 2HB LEU 64 1HB LEU 64 11.060 10.229 -4.732
502 HG LEU 64 HG LEU 64 12.240 7.859 -3.990
503 1HD1 LEU 64 3HD1 LEU 64 14.504 9.630 -4.959
504 2HD1 LEU 64 2HD1 LEU 64 14.665 8.159 -4.022
505 3HD1 LEU 64 1HD1 LEU 64 14.065 8.085 -5.658
506 1HD2 LEU 64 2HD2 LEU 64 11.749 9.854 -2.515
507 2HD2 LEU 64 1HD2 LEU 64 13.344 9.195 -2.213
508 3HD2 LEU 64 3HD2 LEU 64 13.167 10.655 -3.166
509 H LEU 65 H LEU 65 8.438 8.946 -6.012
510 HA LEU 65 HA LEU 65 8.134 9.800 -8.825
511 1HB LEU 65 2HB LEU 65 6.206 9.373 -6.503
512 2HB LEU 65 1HB LEU 65 5.702 10.042 -8.034
513 HG LEU 65 HG LEU 65 6.567 8.015 -9.217
514 1HD1 LEU 65 3HD1 LEU 65 6.923 6.903 -6.394
515 2HD1 LEU 65 2HD1 LEU 65 7.040 5.984 -7.873
516 3HD1 LEU 65 1HD1 LEU 65 8.229 7.202 -7.537
517 1HD2 LEU 65 3HD2 LEU 65 4.558 7.500 -7.000
518 2HD2 LEU 65 2HD2 LEU 65 4.215 8.162 -8.601
519 3HD2 LEU 65 1HD2 LEU 65 4.762 6.514 -8.433
520 H MET 66 H MET 66 9.579 11.521 -8.544
521 HA MET 66 HA MET 66 8.898 13.995 -7.113
522 1HB MET 66 2HB MET 66 11.208 13.088 -7.516
523 2HB MET 66 1HB MET 66 10.997 13.351 -9.228
524 1HG MET 66 2HG MET 66 10.787 15.792 -8.850
525 2HG MET 66 1HG MET 66 10.975 15.561 -7.136
526 1HE MET 66 3HE MET 66 13.182 13.961 -6.357
527 2HE MET 66 2HE MET 66 14.630 14.911 -6.602
528 3HE MET 66 1HE MET 66 13.206 15.694 -5.936
529 H SER 67 H SER 67 7.522 12.798 -9.774
530 HA SER 67 HA SER 67 7.078 15.374 -11.203
531 1HB SER 67 2HB SER 67 6.199 13.673 -12.983
532 2HB SER 67 1HB SER 67 7.946 13.779 -12.683
533 HG SER 67 HG SER 67 7.163 11.611 -12.511
534 HA PRO 68 HA PRO 68 3.151 14.892 -8.587
535 1HB PRO 68 2HB PRO 68 2.571 17.615 -9.194
536 2HB PRO 68 1HB PRO 68 3.265 16.996 -7.697
537 1HG PRO 68 2HG PRO 68 4.692 18.025 -10.196
538 2HG PRO 68 1HG PRO 68 5.087 18.383 -8.512
539 1HD PRO 68 2HD PRO 68 6.552 16.632 -9.766
540 2HD PRO 68 1HD PRO 68 5.976 16.095 -8.177
541 H GLY 69 H GLY 69 2.309 13.430 -10.106
542 1HA GLY 69 2HA GLY 69 -0.102 13.458 -11.127
543 2HA GLY 69 1HA GLY 69 0.583 14.563 -12.295
544 H GLN 70 H GLN 70 3.041 12.564 -11.920
545 HA GLN 70 HA GLN 70 2.251 10.936 -14.261
546 1HB GLN 70 2HB GLN 70 4.333 12.264 -14.261
547 2HB GLN 70 1HB GLN 70 4.884 11.426 -12.832
548 1HG GLN 70 2HG GLN 70 5.123 9.276 -14.085
549 2HG GLN 70 1HG GLN 70 4.450 10.000 -15.544
550 1HE2 GLN 70 2HE2 GLN 70 7.700 10.896 -16.437
551 2HE2 GLN 70 1HE2 GLN 70 6.180 10.339 -16.976
552 H SER 71 H SER 71 3.037 8.784 -14.488
553 HA SER 71 HA SER 71 2.481 7.042 -12.110
554 1HB SER 71 2HB SER 71 0.708 6.764 -13.603
555 2HB SER 71 1HB SER 71 1.781 6.598 -14.988
556 HG SER 71 HG SER 71 1.091 4.639 -14.184
557 H THR 72 H THR 72 3.581 5.383 -11.609
558 HA THR 72 HA THR 72 6.126 4.654 -13.106
559 HB THR 72 HB THR 72 6.599 5.560 -10.847
560 HG1 THR 72 HG1 THR 72 6.847 2.725 -11.000
561 1HG2 THR 72 3HG2 THR 72 5.184 3.055 -9.782
562 2HG2 THR 72 2HG2 THR 72 6.071 4.249 -8.874
563 3HG2 THR 72 1HG2 THR 72 4.549 4.691 -9.625
564 H SER 73 H SER 73 3.879 3.588 -14.110
565 HA SER 73 HA SER 73 2.715 1.254 -13.114
566 1HB SER 73 2HB SER 73 2.336 0.666 -15.617
567 2HB SER 73 1HB SER 73 2.189 2.411 -15.437
568 HG SER 73 HG SER 73 4.832 1.562 -15.660
569 H THR 74 H THR 74 3.211 -0.586 -12.522
570 HA THR 74 HA THR 74 5.794 -1.832 -13.442
571 HB THR 74 HB THR 74 4.913 -1.523 -10.514
572 HG1 THR 74 HG1 THR 74 5.990 0.263 -11.544
573 1HG2 THR 74 3HG2 THR 74 7.472 -2.664 -11.743
574 2HG2 THR 74 2HG2 THR 74 7.080 -2.527 -10.046
575 3HG2 THR 74 1HG2 THR 74 6.261 -3.730 -11.026
576 H THR 75 H THR 75 5.933 -4.113 -13.352
577 HA THR 75 HA THR 75 3.245 -5.476 -13.195
578 HB THR 75 HB THR 75 4.362 -5.328 -15.502
579 HG1 THR 75 HG1 THR 75 2.813 -6.691 -15.366
580 1HG2 THR 75 3HG2 THR 75 6.625 -6.448 -14.700
581 2HG2 THR 75 2HG2 THR 75 5.622 -7.875 -14.415
582 3HG2 THR 75 1HG2 THR 75 5.749 -7.217 -16.024
583 H PHE 76 H PHE 76 3.177 -7.702 -12.835
584 HA PHE 76 HA PHE 76 5.048 -8.697 -10.691
585 1HB PHE 76 2HB PHE 76 2.054 -8.991 -11.088
586 2HB PHE 76 1HB PHE 76 2.944 -9.859 -9.838
587 HD1 PHE 76 HD1 PHE 76 4.039 -8.607 -8.006
588 HD2 PHE 76 HD2 PHE 76 1.820 -6.588 -11.005
589 HE1 PHE 76 HE1 PHE 76 4.063 -6.559 -6.630
590 HE2 PHE 76 HE2 PHE 76 1.846 -4.532 -9.644
591 HZ PHE 76 HZ PHE 76 2.962 -4.530 -7.456
592 HA PRO 77 HA PRO 77 5.515 -10.381 -14.890
593 1HB PRO 77 2HB PRO 77 7.754 -12.088 -14.107
594 2HB PRO 77 1HB PRO 77 7.788 -10.591 -15.033
595 1HG PRO 77 2HG PRO 77 8.174 -11.007 -12.051
596 2HG PRO 77 1HG PRO 77 8.838 -9.752 -13.077
597 1HD PRO 77 2HD PRO 77 6.861 -9.275 -11.346
598 2HD PRO 77 1HD PRO 77 6.846 -8.442 -12.912
599 H ALA 78 H ALA 78 6.348 -13.198 -13.052
600 HA ALA 78 HA ALA 78 3.944 -14.638 -14.147
601 1HB ALA 78 3HB ALA 78 6.854 -15.546 -14.519
602 2HB ALA 78 2HB ALA 78 5.441 -16.473 -15.021
603 3HB ALA 78 1HB ALA 78 5.803 -14.933 -15.793
604 H ASP 79 H ASP 79 6.561 -14.536 -12.160
605 HA ASP 79 HA ASP 79 6.429 -16.733 -10.421
606 1HB ASP 79 2HB ASP 79 7.854 -14.972 -9.012
607 2HB ASP 79 1HB ASP 79 8.423 -15.319 -10.633
608 H ALA 80 H ALA 80 5.375 -13.563 -9.563
609 HA ALA 80 HA ALA 80 4.240 -13.255 -7.300
610 1HB ALA 80 2HB ALA 80 3.759 -11.866 -9.238
611 2HB ALA 80 1HB ALA 80 2.632 -13.049 -9.861
612 3HB ALA 80 3HB ALA 80 2.243 -12.164 -8.386
613 HA PRO 81 HA PRO 81 2.151 -17.379 -7.045
614 1HB PRO 81 2HB PRO 81 3.402 -18.465 -4.947
615 2HB PRO 81 1HB PRO 81 4.309 -18.108 -6.432
616 1HG PRO 81 2HG PRO 81 3.995 -16.255 -3.985
617 2HG PRO 81 1HG PRO 81 5.520 -16.886 -4.627
618 1HD PRO 81 2HD PRO 81 4.564 -14.449 -5.430
619 2HD PRO 81 1HD PRO 81 5.361 -15.520 -6.613
620 H ALA 82 H ALA 82 0.527 -15.531 -6.503
621 HA ALA 82 HA ALA 82 -1.474 -14.942 -5.386
622 1HB ALA 82 1HB ALA 82 -1.795 -17.429 -5.336
623 2HB ALA 82 3HB ALA 82 -0.894 -17.526 -3.832
624 3HB ALA 82 2HB ALA 82 -2.436 -16.693 -3.873
625 H GLY 83 H GLY 83 -2.365 -14.411 -3.103
626 1HA GLY 83 2HA GLY 83 -1.807 -13.860 -0.773
627 2HA GLY 83 1HA GLY 83 -0.150 -13.540 -1.269
628 H GLU 84 H GLU 84 -2.092 -11.903 0.102
629 HA GLU 84 HA GLU 84 -2.506 -9.703 -1.835
630 1HB GLU 84 2HB GLU 84 -4.283 -10.655 -0.197
631 2HB GLU 84 1HB GLU 84 -3.490 -9.721 1.051
632 1HG GLU 84 2HG GLU 84 -3.698 -7.681 -0.701
633 2HG GLU 84 1HG GLU 84 -4.637 -8.766 -1.607
634 H TYR 85 H TYR 85 -0.308 -9.323 -1.954
635 HA TYR 85 HA TYR 85 1.410 -8.270 0.153
636 1HB TYR 85 2HB TYR 85 1.843 -7.477 -2.747
637 2HB TYR 85 1HB TYR 85 3.039 -7.786 -1.521
638 HD1 TYR 85 HD1 TYR 85 0.374 -9.661 -3.432
639 HD2 TYR 85 HD2 TYR 85 4.290 -9.740 -1.737
640 HE1 TYR 85 HE1 TYR 85 0.753 -11.884 -4.356
641 HE2 TYR 85 HE2 TYR 85 4.609 -11.999 -2.729
642 HH TYR 85 HH TYR 85 2.017 -13.712 -3.990
643 H THR 86 H THR 86 1.921 -6.122 0.805
644 HA THR 86 HA THR 86 0.096 -4.031 -0.365
645 HB THR 86 HB THR 86 0.884 -4.672 2.421
646 HG1 THR 86 HG1 THR 86 -0.916 -2.880 1.234
647 1HG2 THR 86 1HG2 THR 86 0.585 -1.725 1.617
648 2HG2 THR 86 3HG2 THR 86 0.739 -2.414 3.229
649 3HG2 THR 86 2HG2 THR 86 2.110 -2.412 2.147
650 H PHE 87 H PHE 87 0.595 -2.045 -0.878
651 HA PHE 87 HA PHE 87 3.398 -1.543 -1.591
652 1HB PHE 87 2HB PHE 87 1.200 0.530 -2.142
653 2HB PHE 87 1HB PHE 87 2.559 0.135 -3.166
654 HD1 PHE 87 HD2 PHE 87 2.375 -2.500 -4.024
655 HD2 PHE 87 HD1 PHE 87 -0.794 0.105 -3.047
656 HE1 PHE 87 HE2 PHE 87 0.860 -3.807 -5.459
657 HE2 PHE 87 HE1 PHE 87 -2.342 -1.186 -4.450
658 HZ PHE 87 HZ PHE 87 -1.534 -3.126 -5.644
659 H TYR 88 H TYR 88 4.512 -0.418 -0.118
660 HA TYR 88 HA TYR 88 3.070 1.101 1.928
661 1HB TYR 88 2HB TYR 88 3.983 -1.045 2.517
662 2HB TYR 88 1HB TYR 88 5.520 -0.670 1.780
663 HD1 TYR 88 HD1 TYR 88 6.728 1.353 2.630
664 HD2 TYR 88 HD2 TYR 88 3.727 -0.677 4.797
665 HE1 TYR 88 HE1 TYR 88 7.617 2.268 4.577
666 HE2 TYR 88 HE2 TYR 88 4.610 0.236 6.842
667 HH TYR 88 HH TYR 88 7.326 2.535 6.718
668 H CYS 89 H CYS 89 3.246 3.378 1.644
669 HA CYS 89 HA CYS 89 5.600 4.413 0.208
670 1HB CYS 89 2HB CYS 89 3.175 4.964 -0.252
671 2HB CYS 89 1HB CYS 89 3.181 5.835 1.255
672 H GLU 90 H GLU 90 7.093 3.928 2.138
673 HA GLU 90 HA GLU 90 7.503 5.023 4.482
674 1HB GLU 90 2HB GLU 90 9.309 4.762 2.138
675 2HB GLU 90 1HB GLU 90 9.887 5.935 3.294
676 1HG GLU 90 2HG GLU 90 9.356 2.981 3.879
677 2HG GLU 90 1HG GLU 90 10.857 3.855 3.968
678 HA PRO 91 HA PRO 91 8.674 9.667 3.577
679 1HB PRO 91 2HB PRO 91 7.486 10.648 1.228
680 2HB PRO 91 1HB PRO 91 9.166 10.122 1.351
681 1HG PRO 91 2HG PRO 91 6.738 8.422 0.533
682 2HG PRO 91 1HG PRO 91 8.254 8.662 -0.351
683 1HD PRO 91 2HD PRO 91 8.057 6.462 1.152
684 2HD PRO 91 1HD PRO 91 9.529 7.426 1.386
685 H HIS 92 HN HIP 92 5.781 8.134 2.965
686 HA HIS 92 HA HIP 92 4.138 10.165 4.424
687 1HB HIS 92 2HB HIP 92 3.388 8.236 2.177
688 2HB HIS 92 1HB HIP 92 2.284 9.403 2.893
689 HD2 HIS 92 HD2 HIP 92 4.588 11.944 2.878
690 HE1 HIS 92 HE1 HIP 92 4.306 11.393 -1.255
691 HE2 HIS 92 HE2 HIP 92 4.999 12.885 0.552
692 H ARG 93 H ARG 93 5.664 8.056 5.573
693 HA ARG 93 HA ARG 93 3.779 5.977 6.508
694 1HB ARG 93 2HB ARG 93 5.988 5.207 6.038
695 2HB ARG 93 1HB ARG 93 6.718 6.580 6.816
696 1HG ARG 93 2HG ARG 93 5.104 5.029 8.774
697 2HG ARG 93 1HG ARG 93 6.288 4.028 7.966
698 1HD ARG 93 2HD ARG 93 7.002 6.764 9.075
699 2HD ARG 93 1HD ARG 93 7.184 5.280 10.024
700 HE ARG 93 HE ARG 93 8.487 5.497 7.250
701 1HH1 ARG 93 2HH1 ARG 93 8.836 3.215 8.032
702 2HH1 ARG 93 1HH1 ARG 93 10.329 3.095 8.913
703 1HH2 ARG 93 1HH2 ARG 93 9.915 6.554 9.299
704 2HH2 ARG 93 2HH2 ARG 93 11.057 5.291 9.700
705 H GLY 94 H GLY 94 2.546 6.311 8.054
706 1HA GLY 94 2HA GLY 94 2.269 6.761 10.592
707 2HA GLY 94 1HA GLY 94 2.997 8.351 10.258
708 H ALA 95 H ALA 95 1.992 8.970 7.947
709 HA ALA 95 HA ALA 95 -0.884 9.567 8.470
710 1HB ALA 95 2HB ALA 95 0.768 11.402 7.843
711 2HB ALA 95 1HB ALA 95 1.094 10.561 6.330
712 3HB ALA 95 3HB ALA 95 -0.492 11.243 6.627
713 H GLY 96 H GLY 96 -0.801 7.231 8.234
714 1HA GLY 96 2HA GLY 96 -0.965 5.121 7.035
715 2HA GLY 96 1HA GLY 96 -2.507 5.888 6.841
716 H MET 97 H MET 97 0.426 6.575 4.921
717 HA MET 97 HA MET 97 -1.245 6.105 2.547
718 1HB MET 97 2HB MET 97 0.346 7.979 2.766
719 2HB MET 97 1HB MET 97 1.692 6.849 2.770
720 1HG MET 97 2HG MET 97 1.186 6.117 0.507
721 2HG MET 97 1HG MET 97 -0.419 6.759 0.600
722 1HE MET 97 2HE MET 97 -1.106 8.083 -0.837
723 2HE MET 97 1HE MET 97 -0.411 9.511 -1.526
724 3HE MET 97 3HE MET 97 0.079 7.923 -2.134
725 H VAL 98 H VAL 98 -1.573 3.965 3.218
726 HA VAL 98 HA VAL 98 0.396 1.958 2.137
727 HB VAL 98 HB VAL 98 -1.789 1.568 4.182
728 1HG1 VAL 98 3HG1 VAL 98 -1.219 -0.501 2.876
729 2HG1 VAL 98 2HG1 VAL 98 0.482 -0.227 3.236
730 3HG1 VAL 98 1HG1 VAL 98 -0.642 -0.617 4.527
731 1HG2 VAL 98 3HG2 VAL 98 1.266 1.728 4.457
732 2HG2 VAL 98 2HG2 VAL 98 0.141 2.953 5.012
733 3HG2 VAL 98 1HG2 VAL 98 0.147 1.367 5.760
734 H GLY 99 H GLY 99 -0.231 0.724 0.452
735 1HA GLY 99 2HA GLY 99 -3.115 0.599 -0.472
736 2HA GLY 99 1HA GLY 99 -1.804 0.780 -1.609
737 H LYS 100 H LYS 100 -3.551 -1.334 -1.942
738 HA LYS 100 HA LYS 100 -1.722 -3.571 -1.331
739 1HB LYS 100 2HB LYS 100 -3.275 -3.303 0.536
740 2HB LYS 100 1HB LYS 100 -4.635 -3.327 -0.563
741 1HG LYS 100 2HG LYS 100 -4.490 -5.507 0.455
742 2HG LYS 100 1HG LYS 100 -3.994 -5.705 -1.212
743 1HD LYS 100 2HD LYS 100 -2.050 -6.631 -0.318
744 2HD LYS 100 1HD LYS 100 -1.588 -5.011 0.021
745 1HE LYS 100 2HE LYS 100 -1.285 -6.035 2.046
746 2HE LYS 100 1HE LYS 100 -2.789 -5.136 2.228
747 1HZ LYS 100 3HZ LYS 100 -3.332 -7.623 0.996
748 2HZ LYS 100 2HZ LYS 100 -2.402 -7.949 2.308
749 3HZ LYS 100 1HZ LYS 100 -3.947 -7.169 2.433
750 H ILE 101 H ILE 101 -1.511 -5.281 -2.591
751 HA ILE 101 HA ILE 101 -3.193 -5.540 -5.032
752 HB ILE 101 HB ILE 101 -0.465 -5.222 -5.020
753 1HG1 ILE 101 2HG1 ILE 101 -2.356 -6.682 -6.917
754 2HG1 ILE 101 1HG1 ILE 101 -1.708 -5.068 -7.069
755 1HG2 ILE 101 3HG2 ILE 101 -0.041 -7.479 -3.957
756 2HG2 ILE 101 2HG2 ILE 101 -0.852 -8.241 -5.318
757 3HG2 ILE 101 1HG2 ILE 101 0.649 -7.381 -5.564
758 1HD1 ILE 101 1HD1 ILE 101 0.607 -6.063 -7.551
759 2HD1 ILE 101 3HD1 ILE 101 -0.076 -7.661 -7.481
760 3HD1 ILE 101 2HD1 ILE 101 -0.551 -6.579 -8.736
761 H THR 102 H THR 102 -4.259 -7.465 -5.180
762 HA THR 102 HA THR 102 -3.761 -9.796 -3.285
763 HB THR 102 HB THR 102 -6.291 -9.606 -4.924
764 HG1 THR 102 HG1 THR 102 -6.289 -8.664 -2.344
765 1HG2 THR 102 2HG2 THR 102 -5.753 -10.522 -2.060
766 2HG2 THR 102 1HG2 THR 102 -7.261 -10.678 -2.941
767 3HG2 THR 102 3HG2 THR 102 -5.847 -11.574 -3.443
768 H VAL 103 H VAL 103 -2.534 -11.467 -4.583
769 HA VAL 103 HA VAL 103 -3.056 -11.252 -7.544
770 HB VAL 103 HB VAL 103 -1.006 -12.954 -6.072
771 1HG1 VAL 103 1HG1 VAL 103 -1.052 -11.819 -8.894
772 2HG1 VAL 103 3HG1 VAL 103 0.222 -12.804 -8.196
773 3HG1 VAL 103 2HG1 VAL 103 -1.362 -13.492 -8.461
774 1HG2 VAL 103 2HG2 VAL 103 -0.746 -10.073 -6.990
775 2HG2 VAL 103 1HG2 VAL 103 -0.686 -10.644 -5.355
776 3HG2 VAL 103 3HG2 VAL 103 0.597 -11.075 -6.470
777 H ALA 104 H ALA 104 -5.090 -11.875 -6.621
778 HA ALA 104 HA ALA 104 -6.945 -13.263 -7.356
779 1HB ALA 104 2HB ALA 104 -5.354 -15.007 -8.403
780 2HB ALA 104 1HB ALA 104 -5.036 -15.632 -6.790
781 3HB ALA 104 3HB ALA 104 -6.644 -15.759 -7.474
782 H GLY 105 HN GLY 105 -4.716 -14.248 -5.027
783 1HA GLY 105 2HA GLY 105 -6.479 -14.000 -2.647
784 2HA GLY 105 1HA GLY 105 -5.461 -15.441 -2.856
No H/Q in entry = 784
Start of MODEL 13
1 1H GLU 1 1H GLU 1 -3.151 -7.293 -13.638
2 2H GLU 1 3H GLU 1 -2.656 -7.809 -12.127
3 3H GLU 1 2H GLU 1 -4.314 -7.500 -12.486
4 HA GLU 1 HA GLU 1 -4.064 -5.428 -11.875
5 1HB GLU 1 2HB GLU 1 -2.093 -4.731 -10.706
6 2HB GLU 1 1HB GLU 1 -2.118 -6.435 -10.491
7 1HG GLU 1 2HG GLU 1 -0.502 -5.588 -12.880
8 2HG GLU 1 1HG GLU 1 0.158 -5.370 -11.274
9 H THR 2 H THR 2 -3.710 -6.010 -14.748
10 HA THR 2 HA THR 2 -1.995 -3.951 -15.937
11 HB THR 2 HB THR 2 -4.301 -5.454 -17.296
12 HG1 THR 2 HG1 THR 2 -2.932 -7.046 -16.777
13 1HG2 THR 2 3HG2 THR 2 -2.926 -3.607 -18.601
14 2HG2 THR 2 2HG2 THR 2 -1.529 -4.613 -18.253
15 3HG2 THR 2 1HG2 THR 2 -2.827 -5.253 -19.218
16 H TYR 3 H TYR 3 -3.728 -2.980 -14.118
17 HA TYR 3 HA TYR 3 -5.461 -0.966 -15.533
18 1HB TYR 3 2HB TYR 3 -6.294 -1.236 -12.823
19 2HB TYR 3 1HB TYR 3 -7.161 -1.512 -14.312
20 HD1 TYR 3 HD1 TYR 3 -6.211 -3.898 -15.539
21 HD2 TYR 3 HD2 TYR 3 -6.369 -3.010 -11.400
22 HE1 TYR 3 HE1 TYR 3 -6.168 -6.313 -15.024
23 HE2 TYR 3 HE2 TYR 3 -6.330 -5.447 -10.909
24 HH TYR 3 HH TYR 3 -7.073 -7.676 -12.728
25 H THR 4 H THR 4 -5.793 1.071 -13.878
26 HA THR 4 HA THR 4 -3.077 1.967 -12.887
27 HB THR 4 HB THR 4 -3.736 3.299 -14.772
28 HG1 THR 4 HG1 THR 4 -4.282 5.143 -12.870
29 1HG2 THR 4 2HG2 THR 4 -6.080 4.214 -12.988
30 2HG2 THR 4 1HG2 THR 4 -5.668 4.835 -14.583
31 3HG2 THR 4 3HG2 THR 4 -6.307 3.210 -14.409
32 H VAL 5 H VAL 5 -2.753 2.794 -11.028
33 HA VAL 5 HA VAL 5 -4.913 3.111 -8.969
34 HB VAL 5 HB VAL 5 -2.001 2.395 -8.577
35 1HG1 VAL 5 1HG1 VAL 5 -4.367 2.528 -6.616
36 2HG1 VAL 5 3HG1 VAL 5 -2.771 1.931 -6.212
37 3HG1 VAL 5 2HG1 VAL 5 -2.996 3.622 -6.603
38 1HG2 VAL 5 2HG2 VAL 5 -4.543 0.719 -8.336
39 2HG2 VAL 5 1HG2 VAL 5 -3.329 0.568 -9.595
40 3HG2 VAL 5 3HG2 VAL 5 -2.919 0.174 -7.937
41 H LYS 6 H LYS 6 -4.851 4.898 -7.606
42 HA LYS 6 HA LYS 6 -3.100 7.198 -8.378
43 1HB LYS 6 2HB LYS 6 -5.361 7.459 -9.065
44 2HB LYS 6 1HB LYS 6 -5.963 6.877 -7.540
45 1HG LYS 6 2HG LYS 6 -5.040 8.966 -6.421
46 2HG LYS 6 1HG LYS 6 -4.648 9.590 -8.020
47 1HD LYS 6 2HD LYS 6 -7.130 9.273 -8.669
48 2HD LYS 6 1HD LYS 6 -7.439 8.619 -7.086
49 1HE LYS 6 2HE LYS 6 -8.216 10.841 -7.047
50 2HE LYS 6 1HE LYS 6 -6.771 10.753 -6.048
51 1HZ LYS 6 2HZ LYS 6 -5.978 11.256 -8.746
52 2HZ LYS 6 1HZ LYS 6 -7.154 12.407 -8.293
53 3HZ LYS 6 3HZ LYS 6 -5.819 12.286 -7.406
54 H LEU 7 H LEU 7 -1.584 7.856 -6.925
55 HA LEU 7 HA LEU 7 -2.201 7.559 -3.997
56 1HB LEU 7 2HB LEU 7 0.361 7.740 -3.758
57 2HB LEU 7 1HB LEU 7 -0.239 6.243 -4.391
58 HG LEU 7 HG LEU 7 0.521 8.388 -6.345
59 1HD1 LEU 7 1HD1 LEU 7 2.478 6.555 -4.876
60 2HD1 LEU 7 3HD1 LEU 7 2.884 7.580 -6.245
61 3HD1 LEU 7 2HD1 LEU 7 2.378 8.306 -4.738
62 1HD2 LEU 7 2HD2 LEU 7 -0.406 6.134 -7.073
63 2HD2 LEU 7 1HD2 LEU 7 1.244 6.364 -7.622
64 3HD2 LEU 7 3HD2 LEU 7 0.916 5.346 -6.227
65 H GLY 8 H GLY 8 -2.768 9.318 -3.156
66 1HA GLY 8 2HA GLY 8 -2.274 11.616 -2.297
67 2HA GLY 8 1HA GLY 8 -1.511 11.985 -3.855
68 H SER 9 H SER 9 -4.382 12.448 -2.140
69 HA SER 9 HA SER 9 -5.929 12.556 -4.706
70 1HB SER 9 2HB SER 9 -6.742 10.921 -3.082
71 2HB SER 9 1HB SER 9 -7.133 12.276 -1.987
72 HG SER 9 HG SER 9 -8.313 11.483 -4.266
73 H ASP 10 H ASP 10 -6.257 14.244 -5.487
74 HA ASP 10 HA ASP 10 -5.993 16.860 -5.033
75 1HB ASP 10 2HB ASP 10 -8.383 15.579 -6.493
76 2HB ASP 10 1HB ASP 10 -7.533 17.039 -6.954
77 H LYS 11 H LYS 11 -8.679 15.048 -3.942
78 HA LYS 11 HA LYS 11 -10.471 17.003 -2.958
79 1HB LYS 11 2HB LYS 11 -9.807 14.142 -2.051
80 2HB LYS 11 1HB LYS 11 -11.195 15.020 -1.427
81 1HG LYS 11 2HG LYS 11 -12.234 15.208 -3.602
82 2HG LYS 11 1HG LYS 11 -10.799 14.720 -4.452
83 1HD LYS 11 2HD LYS 11 -12.400 12.848 -2.592
84 2HD LYS 11 1HD LYS 11 -12.636 12.914 -4.330
85 1HE LYS 11 2HE LYS 11 -10.160 12.428 -4.571
86 2HE LYS 11 1HE LYS 11 -10.128 12.062 -2.844
87 1HZ LYS 11 3HZ LYS 11 -12.308 10.622 -4.080
88 2HZ LYS 11 2HZ LYS 11 -10.871 10.339 -4.912
89 3HZ LYS 11 1HZ LYS 11 -10.916 9.967 -3.391
90 H GLY 12 H GLY 12 -7.536 16.059 -1.637
91 1HA GLY 12 2HA GLY 12 -6.387 17.757 -0.130
92 2HA GLY 12 1HA GLY 12 -7.863 17.787 0.807
93 H LEU 13 H LEU 13 -6.547 14.811 -0.359
94 HA LEU 13 HA LEU 13 -5.450 14.216 2.373
95 1HB LEU 13 2HB LEU 13 -7.460 12.456 0.901
96 2HB LEU 13 1HB LEU 13 -6.677 12.023 2.409
97 HG LEU 13 HG LEU 13 -8.468 14.471 2.118
98 1HD1 LEU 13 2HD1 LEU 13 -8.993 11.696 3.297
99 2HD1 LEU 13 1HD1 LEU 13 -10.100 13.056 3.326
100 3HD1 LEU 13 3HD1 LEU 13 -9.688 12.300 1.801
101 1HD2 LEU 13 3HD2 LEU 13 -7.358 12.967 4.546
102 2HD2 LEU 13 2HD2 LEU 13 -6.791 14.539 3.995
103 3HD2 LEU 13 1HD2 LEU 13 -8.422 14.360 4.585
104 H LEU 14 H LEU 14 -4.005 12.445 2.636
105 HA LEU 14 HA LEU 14 -2.424 11.863 0.158
106 1HB LEU 14 2HB LEU 14 -1.823 11.013 3.016
107 2HB LEU 14 1HB LEU 14 -0.702 11.011 1.701
108 HG LEU 14 HG LEU 14 -1.859 13.542 2.956
109 1HD1 LEU 14 2HD1 LEU 14 -0.106 12.299 4.318
110 2HD1 LEU 14 1HD1 LEU 14 0.939 12.300 2.917
111 3HD1 LEU 14 3HD1 LEU 14 0.513 13.813 3.688
112 1HD2 LEU 14 1HD2 LEU 14 0.273 13.116 0.807
113 2HD2 LEU 14 3HD2 LEU 14 -1.339 13.741 0.491
114 3HD2 LEU 14 2HD2 LEU 14 -0.229 14.645 1.501
115 H VAL 15 H VAL 15 -4.785 10.667 -0.052
116 HA VAL 15 HA VAL 15 -4.543 7.889 0.994
117 HB VAL 15 HB VAL 15 -6.884 7.592 0.096
118 1HG1 VAL 15 2HG1 VAL 15 -6.438 10.076 1.796
119 2HG1 VAL 15 1HG1 VAL 15 -7.942 9.178 1.685
120 3HG1 VAL 15 3HG1 VAL 15 -6.522 8.437 2.397
121 1HG2 VAL 15 2HG2 VAL 15 -6.732 9.185 -1.802
122 2HG2 VAL 15 1HG2 VAL 15 -8.082 9.555 -0.753
123 3HG2 VAL 15 3HG2 VAL 15 -6.627 10.531 -0.665
124 H PHE 16 H PHE 16 -5.379 6.218 -0.315
125 HA PHE 16 HA PHE 16 -4.010 5.970 -2.958
126 1HB PHE 16 2HB PHE 16 -3.901 4.444 -0.467
127 2HB PHE 16 1HB PHE 16 -4.480 3.400 -1.728
128 HD1 PHE 16 HD2 PHE 16 -2.766 4.566 -4.065
129 HD2 PHE 16 HD1 PHE 16 -1.907 3.483 -0.051
130 HE1 PHE 16 HE2 PHE 16 -0.442 4.074 -4.687
131 HE2 PHE 16 HE1 PHE 16 0.421 2.996 -0.661
132 HZ PHE 16 HZ PHE 16 1.155 3.290 -2.979
133 H GLU 17 H GLU 17 -5.559 6.111 -4.499
134 HA GLU 17 HA GLU 17 -8.206 4.768 -4.027
135 1HB GLU 17 2HB GLU 17 -7.508 6.781 -6.185
136 2HB GLU 17 1HB GLU 17 -9.111 6.221 -5.780
137 1HG GLU 17 2HG GLU 17 -8.667 7.189 -3.369
138 2HG GLU 17 1HG GLU 17 -7.332 8.056 -4.083
139 HA PRO 18 HA PRO 18 -9.042 3.029 -4.055
140 1HB PRO 18 2HB PRO 18 -10.284 0.929 -4.896
141 2HB PRO 18 1HB PRO 18 -10.504 2.463 -5.769
142 1HG PRO 18 2HG PRO 18 -8.633 0.115 -6.466
143 2HG PRO 18 1HG PRO 18 -9.729 0.956 -7.561
144 1HD PRO 18 2HD PRO 18 -6.976 1.586 -7.226
145 2HD PRO 18 1HD PRO 18 -8.178 2.691 -7.924
146 H ALA 19 H ALA 19 -6.894 2.689 -3.027
147 HA ALA 19 HA ALA 19 -5.080 1.252 -2.261
148 1HB ALA 19 3HB ALA 19 -6.303 2.582 -0.628
149 2HB ALA 19 2HB ALA 19 -7.522 1.336 -0.460
150 3HB ALA 19 1HB ALA 19 -5.886 1.047 0.111
151 H LYS 20 H LYS 20 -7.949 -0.654 -2.206
152 HA LYS 20 HA LYS 20 -6.351 -3.182 -1.765
153 1HB LYS 20 2HB LYS 20 -8.623 -4.145 -1.065
154 2HB LYS 20 1HB LYS 20 -7.975 -2.891 -0.042
155 1HG LYS 20 2HG LYS 20 -9.588 -1.359 -0.519
156 2HG LYS 20 1HG LYS 20 -9.625 -1.730 -2.219
157 1HD LYS 20 2HD LYS 20 -10.874 -3.510 -0.031
158 2HD LYS 20 1HD LYS 20 -11.806 -2.305 -0.879
159 1HE LYS 20 2HE LYS 20 -10.377 -4.687 -2.171
160 2HE LYS 20 1HE LYS 20 -12.112 -4.558 -1.893
161 1HZ LYS 20 2HZ LYS 20 -11.251 -2.173 -3.116
162 2HZ LYS 20 1HZ LYS 20 -10.519 -3.399 -3.949
163 3HZ LYS 20 3HZ LYS 20 -12.230 -3.352 -3.858
164 H LEU 21 H LEU 21 -5.738 -3.913 -3.690
165 HA LEU 21 HA LEU 21 -7.744 -4.329 -5.838
166 1HB LEU 21 2HB LEU 21 -5.558 -2.858 -5.959
167 2HB LEU 21 1HB LEU 21 -4.827 -4.378 -6.331
168 HG LEU 21 HG LEU 21 -7.034 -2.936 -7.859
169 1HD1 LEU 21 2HD1 LEU 21 -4.284 -3.981 -8.555
170 2HD1 LEU 21 1HD1 LEU 21 -5.388 -3.352 -9.747
171 3HD1 LEU 21 3HD1 LEU 21 -4.801 -2.338 -8.450
172 1HD2 LEU 21 2HD2 LEU 21 -6.355 -5.902 -8.380
173 2HD2 LEU 21 1HD2 LEU 21 -7.856 -5.296 -7.784
174 3HD2 LEU 21 3HD2 LEU 21 -7.365 -4.878 -9.373
175 H THR 22 H THR 22 -8.504 -6.409 -5.863
176 HA THR 22 HA THR 22 -6.699 -8.732 -5.467
177 HB THR 22 HB THR 22 -9.648 -8.673 -6.388
178 HG1 THR 22 HG1 THR 22 -9.325 -9.660 -4.030
179 1HG2 THR 22 3HG2 THR 22 -7.937 -10.866 -5.063
180 2HG2 THR 22 2HG2 THR 22 -9.604 -11.033 -5.604
181 3HG2 THR 22 1HG2 THR 22 -8.309 -10.870 -6.773
182 H ILE 23 H ILE 23 -5.304 -8.021 -7.001
183 HA ILE 23 HA ILE 23 -5.868 -8.010 -9.842
184 HB ILE 23 HB ILE 23 -3.375 -7.887 -10.099
185 1HG1 ILE 23 2HG1 ILE 23 -3.063 -7.703 -7.136
186 2HG1 ILE 23 1HG1 ILE 23 -3.219 -9.300 -7.801
187 1HG2 ILE 23 3HG2 ILE 23 -4.448 -6.112 -7.880
188 2HG2 ILE 23 2HG2 ILE 23 -3.050 -5.758 -8.843
189 3HG2 ILE 23 1HG2 ILE 23 -4.636 -5.772 -9.598
190 1HD1 ILE 23 2HD1 ILE 23 -1.200 -7.284 -8.864
191 2HD1 ILE 23 1HD1 ILE 23 -0.813 -8.613 -7.802
192 3HD1 ILE 23 3HD1 ILE 23 -1.394 -8.922 -9.397
193 H LYS 24 H LYS 24 -4.349 -9.220 -11.384
194 HA LYS 24 HA LYS 24 -4.755 -11.989 -10.744
195 1HB LYS 24 2HB LYS 24 -3.661 -10.670 -13.238
196 2HB LYS 24 1HB LYS 24 -4.451 -12.235 -13.079
197 1HG LYS 24 2HG LYS 24 -6.605 -11.182 -12.409
198 2HG LYS 24 1HG LYS 24 -5.896 -9.612 -12.419
199 1HD LYS 24 2HD LYS 24 -7.097 -9.872 -14.353
200 2HD LYS 24 1HD LYS 24 -5.390 -9.721 -14.716
201 1HE LYS 24 2HE LYS 24 -6.783 -12.463 -14.576
202 2HE LYS 24 1HE LYS 24 -6.690 -11.574 -16.077
203 1HZ LYS 24 2HZ LYS 24 -4.130 -11.466 -14.993
204 2HZ LYS 24 1HZ LYS 24 -4.694 -13.072 -14.760
205 3HZ LYS 24 3HZ LYS 24 -4.554 -12.363 -16.310
206 HA PRO 25 HA PRO 25 -0.352 -12.632 -9.970
207 1HB PRO 25 2HB PRO 25 0.199 -15.129 -10.722
208 2HB PRO 25 1HB PRO 25 -1.123 -14.866 -9.589
209 1HG PRO 25 2HG PRO 25 -1.303 -15.163 -12.637
210 2HG PRO 25 1HG PRO 25 -2.224 -16.058 -11.422
211 1HD PRO 25 2HD PRO 25 -3.175 -13.811 -12.672
212 2HD PRO 25 1HD PRO 25 -3.690 -14.227 -11.017
213 H GLY 26 H GLY 26 0.079 -10.784 -11.648
214 1HA GLY 26 2HA GLY 26 2.276 -10.459 -12.926
215 2HA GLY 26 1HA GLY 26 1.981 -11.965 -13.730
216 H ASP 27 H ASP 27 0.305 -8.982 -13.272
217 HA ASP 27 HA ASP 27 -0.241 -8.700 -16.216
218 1HB ASP 27 2HB ASP 27 -1.700 -8.368 -13.732
219 2HB ASP 27 1HB ASP 27 -1.888 -6.973 -14.763
220 H THR 28 H THR 28 -0.793 -5.938 -16.100
221 HA THR 28 HA THR 28 1.784 -4.745 -15.274
222 HB THR 28 HB THR 28 0.038 -3.780 -17.486
223 HG1 THR 28 HG1 THR 28 2.403 -5.380 -17.126
224 1HG2 THR 28 3HG2 THR 28 3.026 -3.291 -16.822
225 2HG2 THR 28 2HG2 THR 28 2.163 -2.649 -18.202
226 3HG2 THR 28 1HG2 THR 28 1.790 -2.056 -16.598
227 H VAL 29 H VAL 29 0.683 -4.105 -13.092
228 HA VAL 29 HA VAL 29 -1.209 -1.934 -13.265
229 HB VAL 29 HB VAL 29 -0.962 -3.380 -11.292
230 1HG1 VAL 29 3HG1 VAL 29 1.497 -3.613 -11.229
231 2HG1 VAL 29 2HG1 VAL 29 1.655 -1.924 -10.781
232 3HG1 VAL 29 1HG1 VAL 29 0.895 -3.065 -9.686
233 1HG2 VAL 29 3HG2 VAL 29 -2.020 -1.149 -10.965
234 2HG2 VAL 29 2HG2 VAL 29 -1.138 -1.621 -9.524
235 3HG2 VAL 29 1HG2 VAL 29 -0.458 -0.442 -10.619
236 H GLU 30 H GLU 30 -1.132 0.108 -13.205
237 HA GLU 30 HA GLU 30 1.446 1.522 -13.393
238 1HB GLU 30 2HB GLU 30 0.086 1.498 -15.430
239 2HB GLU 30 1HB GLU 30 -1.261 2.204 -14.552
240 1HG GLU 30 2HG GLU 30 -0.238 4.153 -15.472
241 2HG GLU 30 1HG GLU 30 0.555 4.093 -13.925
242 H PHE 31 H PHE 31 1.876 2.935 -11.744
243 HA PHE 31 HA PHE 31 -0.337 3.843 -9.929
244 1HB PHE 31 2HB PHE 31 2.593 3.312 -9.449
245 2HB PHE 31 1HB PHE 31 1.664 4.240 -8.297
246 HD1 PHE 31 HD1 PHE 31 2.129 0.915 -9.805
247 HD2 PHE 31 HD2 PHE 31 0.005 3.176 -6.905
248 HE1 PHE 31 HE1 PHE 31 1.367 -1.152 -8.746
249 HE2 PHE 31 HE2 PHE 31 -0.761 1.098 -5.837
250 HZ PHE 31 HZ PHE 31 -0.083 -1.077 -6.758
251 H LEU 32 H LEU 32 -0.863 5.985 -10.091
252 HA LEU 32 HA LEU 32 1.124 7.826 -11.244
253 1HB LEU 32 2HB LEU 32 -1.173 7.487 -12.234
254 2HB LEU 32 1HB LEU 32 -1.854 8.228 -10.805
255 HG LEU 32 HG LEU 32 0.255 9.716 -12.462
256 1HD1 LEU 32 2HD1 LEU 32 -2.779 9.699 -12.829
257 2HD1 LEU 32 1HD1 LEU 32 -1.644 10.735 -13.679
258 3HD1 LEU 32 3HD1 LEU 32 -1.630 9.006 -13.958
259 1HD2 LEU 32 2HD2 LEU 32 -2.102 10.632 -10.764
260 2HD2 LEU 32 1HD2 LEU 32 -0.438 10.648 -10.207
261 3HD2 LEU 32 3HD2 LEU 32 -0.919 11.668 -11.541
262 H ASN 33 H ASN 33 2.107 9.212 -10.152
263 HA ASN 33 HA ASN 33 1.750 9.725 -7.217
264 1HB ASN 33 2HB ASN 33 3.967 9.094 -8.401
265 2HB ASN 33 1HB ASN 33 3.925 10.633 -9.216
266 1HD2 ASN 33 2HD2 ASN 33 5.754 11.960 -6.544
267 2HD2 ASN 33 1HD2 ASN 33 5.465 11.982 -8.212
268 H ASN 34 H ASN 34 -0.019 10.992 -7.083
269 HA ASN 34 HA ASN 34 -0.306 13.360 -8.856
270 1HB ASN 34 2HB ASN 34 -2.047 11.755 -8.913
271 2HB ASN 34 1HB ASN 34 -2.219 11.756 -7.172
272 1HD2 ASN 34 2HD2 ASN 34 -4.676 14.128 -7.471
273 2HD2 ASN 34 1HD2 ASN 34 -4.035 12.775 -6.641
274 H LYS 35 H LYS 35 -0.422 12.964 -5.319
275 HA LYS 35 HA LYS 35 -0.002 15.931 -5.172
276 1HB LYS 35 2HB LYS 35 -2.189 14.388 -3.677
277 2HB LYS 35 1HB LYS 35 -1.794 16.049 -3.324
278 1HG LYS 35 2HG LYS 35 -2.784 15.035 -6.036
279 2HG LYS 35 1HG LYS 35 -3.786 15.816 -4.849
280 1HD LYS 35 2HD LYS 35 -2.473 17.920 -5.012
281 2HD LYS 35 1HD LYS 35 -1.338 17.193 -6.130
282 1HE LYS 35 2HE LYS 35 -4.304 17.496 -6.704
283 2HE LYS 35 1HE LYS 35 -3.074 18.623 -7.247
284 1HZ LYS 35 3HZ LYS 35 -2.167 16.000 -7.880
285 2HZ LYS 35 2HZ LYS 35 -3.772 16.118 -8.331
286 3HZ LYS 35 1HZ LYS 35 -2.652 17.162 -8.988
287 H VAL 36 H VAL 36 0.705 16.754 -3.148
288 HA VAL 36 HA VAL 36 2.713 16.673 -1.774
289 HB VAL 36 HB VAL 36 0.527 15.172 -0.350
290 1HG1 VAL 36 2HG1 VAL 36 2.785 16.951 0.732
291 2HG1 VAL 36 1HG1 VAL 36 1.510 16.256 1.712
292 3HG1 VAL 36 3HG1 VAL 36 2.681 15.214 0.937
293 1HG2 VAL 36 3HG2 VAL 36 1.043 18.184 -0.564
294 2HG2 VAL 36 2HG2 VAL 36 -0.309 17.332 -1.298
295 3HG2 VAL 36 1HG2 VAL 36 -0.186 17.444 0.442
296 HA PRO 37 HA PRO 37 4.583 12.536 -2.064
297 1HB PRO 37 2HB PRO 37 5.758 12.649 -4.509
298 2HB PRO 37 1HB PRO 37 4.023 12.870 -4.439
299 1HG PRO 37 2HG PRO 37 6.118 15.091 -4.455
300 2HG PRO 37 1HG PRO 37 4.762 14.867 -5.564
301 1HD PRO 37 2HD PRO 37 4.679 16.374 -3.137
302 2HD PRO 37 1HD PRO 37 3.252 15.814 -4.044
303 HA PRO 38 HA PRO 38 7.315 12.131 -3.624
304 1HB PRO 38 2HB PRO 38 9.653 11.394 -3.170
305 2HB PRO 38 1HB PRO 38 9.258 13.098 -3.465
306 1HG PRO 38 2HG PRO 38 9.810 11.744 -0.754
307 2HG PRO 38 1HG PRO 38 10.464 13.275 -1.335
308 1HD PRO 38 2HD PRO 38 8.046 13.015 0.217
309 2HD PRO 38 1HD PRO 38 8.561 14.459 -0.668
310 H HIS 39 HN HIP 39 5.754 10.794 -3.167
311 HA HIS 39 HA HIP 39 5.543 8.634 -1.325
312 1HB HIS 39 2HB HIP 39 4.382 8.846 -4.133
313 2HB HIS 39 1HB HIP 39 3.821 7.679 -2.952
314 HD2 HIS 39 HD2 HIP 39 3.044 11.069 -4.173
315 HE1 HIS 39 HE1 HIP 39 1.732 11.142 -0.230
316 HE2 HIS 39 HE2 HIP 39 1.738 12.265 -2.400
317 H ASN 40 H ASN 40 7.857 7.926 -1.462
318 HA ASN 40 HA ASN 40 8.586 6.013 -3.567
319 1HB ASN 40 2HB ASN 40 10.316 7.263 -2.527
320 2HB ASN 40 1HB ASN 40 9.824 6.862 -0.897
321 1HD2 ASN 40 2HD2 ASN 40 11.519 3.569 -2.058
322 2HD2 ASN 40 1HD2 ASN 40 9.848 3.803 -2.298
323 H VAL 41 H VAL 41 6.567 4.705 -3.337
324 HA VAL 41 HA VAL 41 6.027 3.218 -0.957
325 HB VAL 41 HB VAL 41 5.139 1.375 -2.427
326 1HG1 VAL 41 1HG1 VAL 41 4.175 4.250 -3.019
327 2HG1 VAL 41 3HG1 VAL 41 3.222 2.801 -3.292
328 3HG1 VAL 41 2HG1 VAL 41 3.657 3.270 -1.658
329 1HG2 VAL 41 2HG2 VAL 41 6.552 1.807 -4.459
330 2HG2 VAL 41 1HG2 VAL 41 4.856 1.923 -4.876
331 3HG2 VAL 41 3HG2 VAL 41 5.802 3.379 -4.663
332 H VAL 42 H VAL 42 6.765 1.603 -0.038
333 HA VAL 42 HA VAL 42 9.133 0.077 -0.958
334 HB VAL 42 HB VAL 42 8.100 0.739 1.798
335 1HG1 VAL 42 2HG1 VAL 42 10.725 -0.509 0.850
336 2HG1 VAL 42 1HG1 VAL 42 10.333 -0.124 2.523
337 3HG1 VAL 42 3HG1 VAL 42 9.426 -1.375 1.672
338 1HG2 VAL 42 2HG2 VAL 42 10.466 1.905 0.257
339 2HG2 VAL 42 1HG2 VAL 42 8.987 2.737 0.677
340 3HG2 VAL 42 3HG2 VAL 42 10.092 2.254 1.934
341 H PHE 43 H PHE 43 8.652 -2.127 -1.231
342 HA PHE 43 HA PHE 43 5.884 -3.048 -0.658
343 1HB PHE 43 2HB PHE 43 8.123 -4.002 -2.402
344 2HB PHE 43 1HB PHE 43 7.082 -5.246 -1.748
345 HD1 PHE 43 HD1 PHE 43 6.864 -1.952 -3.527
346 HD2 PHE 43 HD2 PHE 43 5.036 -5.679 -2.740
347 HE1 PHE 43 HE1 PHE 43 5.127 -1.428 -5.191
348 HE2 PHE 43 HE2 PHE 43 3.286 -5.171 -4.398
349 HZ PHE 43 HZ PHE 43 3.331 -3.043 -5.623
350 H ASP 44 H ASP 44 5.457 -4.662 0.873
351 HA ASP 44 HA ASP 44 7.295 -4.724 3.058
352 1HB ASP 44 2HB ASP 44 4.697 -4.778 3.032
353 2HB ASP 44 1HB ASP 44 4.884 -6.506 2.843
354 H ALA 45 H ALA 45 7.470 -6.699 4.442
355 HA ALA 45 HA ALA 45 9.065 -8.793 3.123
356 1HB ALA 45 2HB ALA 45 9.267 -7.588 5.906
357 2HB ALA 45 1HB ALA 45 10.302 -8.866 5.284
358 3HB ALA 45 3HB ALA 45 10.351 -7.271 4.553
359 H ALA 46 H ALA 46 6.360 -8.277 5.052
360 HA ALA 46 HA ALA 46 6.025 -11.129 5.833
361 1HB ALA 46 1HB ALA 46 4.789 -8.547 6.919
362 2HB ALA 46 3HB ALA 46 4.463 -10.146 7.572
363 3HB ALA 46 2HB ALA 46 6.077 -9.455 7.684
364 H LEU 47 H LEU 47 4.424 -8.346 4.495
365 HA LEU 47 HA LEU 47 2.183 -9.946 3.302
366 1HB LEU 47 2HB LEU 47 2.712 -6.943 3.574
367 2HB LEU 47 1HB LEU 47 1.334 -7.585 2.700
368 HG LEU 47 HG LEU 47 0.691 -6.779 4.949
369 1HD1 LEU 47 1HD1 LEU 47 -0.554 -8.711 3.984
370 2HD1 LEU 47 3HD1 LEU 47 0.584 -9.819 4.724
371 3HD1 LEU 47 2HD1 LEU 47 -0.464 -8.840 5.724
372 1HD2 LEU 47 1HD2 LEU 47 2.854 -7.240 6.094
373 2HD2 LEU 47 3HD2 LEU 47 1.483 -7.908 6.967
374 3HD2 LEU 47 2HD2 LEU 47 2.508 -8.960 6.023
375 H ASN 48 H ASN 48 4.217 -10.741 2.276
376 HA ASN 48 HA ASN 48 4.433 -9.761 -0.530
377 1HB ASN 48 2HB ASN 48 6.985 -10.086 -0.320
378 2HB ASN 48 1HB ASN 48 6.356 -8.803 0.711
379 1HD2 ASN 48 2HD2 ASN 48 8.419 -11.237 2.713
380 2HD2 ASN 48 1HD2 ASN 48 8.811 -10.624 1.187
381 HA PRO 49 HA PRO 49 2.591 -13.386 1.193
382 1HB PRO 49 2HB PRO 49 2.523 -15.186 -1.133
383 2HB PRO 49 1HB PRO 49 1.194 -14.362 -0.331
384 1HG PRO 49 2HG PRO 49 2.867 -13.400 -2.679
385 2HG PRO 49 1HG PRO 49 1.172 -13.081 -2.323
386 1HD PRO 49 2HD PRO 49 2.960 -11.119 -1.899
387 2HD PRO 49 1HD PRO 49 1.764 -11.434 -0.617
388 H ALA 50 H ALA 50 5.302 -14.368 -0.763
389 HA ALA 50 HA ALA 50 5.912 -16.708 0.927
390 1HB ALA 50 2HB ALA 50 6.281 -16.721 -1.543
391 2HB ALA 50 1HB ALA 50 7.407 -15.379 -1.379
392 3HB ALA 50 3HB ALA 50 7.811 -16.944 -0.702
393 H LYS 51 H LYS 51 5.860 -14.317 2.288
394 HA LYS 51 HA LYS 51 7.270 -12.677 3.458
395 1HB LYS 51 2HB LYS 51 7.247 -15.426 4.673
396 2HB LYS 51 1HB LYS 51 7.653 -13.973 5.571
397 1HG LYS 51 2HG LYS 51 5.517 -12.922 5.146
398 2HG LYS 51 1HG LYS 51 5.031 -14.078 3.960
399 1HD LYS 51 2HD LYS 51 5.470 -14.719 6.907
400 2HD LYS 51 1HD LYS 51 3.905 -14.344 6.189
401 1HE LYS 51 2HE LYS 51 4.245 -16.253 4.576
402 2HE LYS 51 1HE LYS 51 5.722 -16.677 5.440
403 1HZ LYS 51 3HZ LYS 51 3.681 -16.238 7.348
404 2HZ LYS 51 2HZ LYS 51 3.052 -17.292 6.190
405 3HZ LYS 51 1HZ LYS 51 4.471 -17.699 7.028
406 H SER 52 H SER 52 8.878 -12.820 1.609
407 HA SER 52 HA SER 52 11.607 -13.525 2.615
408 1HB SER 52 2HB SER 52 12.214 -13.969 0.355
409 2HB SER 52 1HB SER 52 10.564 -14.544 0.476
410 HG SER 52 HG SER 52 11.450 -12.749 -1.121
411 H ALA 53 H ALA 53 13.243 -12.098 1.132
412 HA ALA 53 HA ALA 53 12.610 -9.183 1.645
413 1HB ALA 53 3HB ALA 53 15.264 -10.710 1.992
414 2HB ALA 53 2HB ALA 53 15.066 -8.988 2.292
415 3HB ALA 53 1HB ALA 53 14.231 -10.163 3.299
416 H ASP 54 H ASP 54 14.826 -11.227 0.066
417 HA ASP 54 HA ASP 54 16.090 -10.159 -1.941
418 1HB ASP 54 2HB ASP 54 15.316 -12.551 -3.072
419 2HB ASP 54 1HB ASP 54 16.212 -12.553 -1.561
420 H LEU 55 H LEU 55 12.884 -11.256 -2.733
421 HA LEU 55 HA LEU 55 12.757 -9.408 -5.087
422 1HB LEU 55 2HB LEU 55 12.078 -11.902 -5.216
423 2HB LEU 55 1HB LEU 55 10.755 -11.565 -4.141
424 HG LEU 55 HG LEU 55 11.115 -10.280 -6.908
425 1HD1 LEU 55 1HD1 LEU 55 9.207 -12.453 -5.919
426 2HD1 LEU 55 3HD1 LEU 55 9.211 -11.761 -7.524
427 3HD1 LEU 55 2HD1 LEU 55 10.569 -12.714 -6.989
428 1HD2 LEU 55 3HD2 LEU 55 8.724 -10.262 -4.992
429 2HD2 LEU 55 2HD2 LEU 55 9.707 -8.852 -5.356
430 3HD2 LEU 55 1HD2 LEU 55 8.738 -9.583 -6.603
431 H ALA 56 H ALA 56 10.797 -10.393 -2.361
432 HA ALA 56 HA ALA 56 8.755 -8.777 -1.981
433 1HB ALA 56 3HB ALA 56 9.676 -10.383 -0.370
434 2HB ALA 56 2HB ALA 56 10.961 -9.279 0.045
435 3HB ALA 56 1HB ALA 56 9.310 -8.869 0.459
436 H LYS 57 H LYS 57 11.931 -7.432 -1.204
437 HA LYS 57 HA LYS 57 10.685 -4.673 -1.166
438 1HB LYS 57 2HB LYS 57 13.616 -5.423 -0.523
439 2HB LYS 57 1HB LYS 57 12.773 -4.008 0.050
440 1HG LYS 57 2HG LYS 57 12.318 -6.906 0.932
441 2HG LYS 57 1HG LYS 57 13.140 -5.701 1.877
442 1HD LYS 57 2HD LYS 57 10.189 -5.616 1.055
443 2HD LYS 57 1HD LYS 57 10.754 -6.111 2.627
444 1HE LYS 57 2HE LYS 57 11.772 -3.760 2.887
445 2HE LYS 57 1HE LYS 57 10.922 -3.338 1.393
446 1HZ LYS 57 2HZ LYS 57 9.105 -4.728 2.957
447 2HZ LYS 57 1HZ LYS 57 9.665 -3.513 4.003
448 3HZ LYS 57 3HZ LYS 57 8.986 -3.172 2.540
449 H SER 58 H SER 58 13.168 -6.449 -2.933
450 HA SER 58 HA SER 58 14.120 -4.314 -4.559
451 1HB SER 58 2HB SER 58 13.425 -7.165 -5.412
452 2HB SER 58 1HB SER 58 14.320 -6.015 -6.435
453 HG SER 58 HG SER 58 15.192 -7.402 -4.295
454 H LEU 59 H LEU 59 11.197 -6.057 -4.628
455 HA LEU 59 HA LEU 59 9.847 -5.238 -6.928
456 1HB LEU 59 2HB LEU 59 9.249 -6.783 -4.748
457 2HB LEU 59 1HB LEU 59 8.339 -5.375 -4.301
458 HG LEU 59 HG LEU 59 8.022 -6.861 -6.951
459 1HD1 LEU 59 2HD1 LEU 59 6.282 -6.735 -4.454
460 2HD1 LEU 59 1HD1 LEU 59 5.870 -7.575 -5.943
461 3HD1 LEU 59 3HD1 LEU 59 7.214 -8.133 -4.959
462 1HD2 LEU 59 1HD2 LEU 59 6.387 -4.623 -5.678
463 2HD2 LEU 59 3HD2 LEU 59 7.416 -4.439 -7.086
464 3HD2 LEU 59 2HD2 LEU 59 6.000 -5.458 -7.170
465 H SER 60 H SER 60 9.881 -3.461 -3.759
466 HA SER 60 HA SER 60 8.332 -1.285 -4.876
467 1HB SER 60 2HB SER 60 9.691 0.056 -2.967
468 2HB SER 60 1HB SER 60 8.289 -0.929 -2.650
469 HG SER 60 HG SER 60 10.777 -2.257 -2.791
470 H HIS 61 H HIS 61 8.616 0.318 -5.942
471 HA HIS 61 HA HIS 61 10.187 1.185 -7.814
472 1HB HIS 61 2HB HIS 61 9.165 3.003 -5.567
473 2HB HIS 61 1HB HIS 61 9.608 3.576 -7.173
474 HD1 HIS 61 HD1 HIS 61 6.822 4.025 -6.759
475 HD2 HIS 61 HD2 HIS 61 7.987 0.288 -7.901
476 HE1 HIS 61 HE1 HIS 61 4.809 2.903 -7.720
477 H LYS 62 H LYS 62 11.262 1.804 -4.671
478 HA LYS 62 HA LYS 62 13.469 1.564 -3.890
479 1HB LYS 62 2HB LYS 62 14.326 2.685 -6.607
480 2HB LYS 62 1HB LYS 62 15.451 2.587 -5.315
481 1HG LYS 62 2HG LYS 62 13.851 0.118 -6.004
482 2HG LYS 62 1HG LYS 62 15.203 0.572 -6.992
483 1HD LYS 62 2HD LYS 62 15.938 -1.031 -5.275
484 2HD LYS 62 1HD LYS 62 16.751 0.486 -5.022
485 1HE LYS 62 2HE LYS 62 14.248 -0.265 -3.472
486 2HE LYS 62 1HE LYS 62 15.831 -0.822 -2.967
487 1HZ LYS 62 2HZ LYS 62 16.054 1.960 -3.546
488 2HZ LYS 62 1HZ LYS 62 14.752 1.826 -2.539
489 3HZ LYS 62 3HZ LYS 62 16.253 1.252 -2.068
490 H GLN 63 H GLN 63 13.201 4.742 -5.495
491 HA GLN 63 HA GLN 63 14.050 5.878 -2.847
492 1HB GLN 63 2HB GLN 63 14.817 7.067 -5.544
493 2HB GLN 63 1HB GLN 63 15.523 7.443 -3.989
494 1HG GLN 63 2HG GLN 63 15.857 4.806 -5.541
495 2HG GLN 63 1HG GLN 63 17.105 5.974 -5.208
496 1HE2 GLN 63 2HE2 GLN 63 16.969 4.867 -1.651
497 2HE2 GLN 63 1HE2 GLN 63 16.554 6.343 -2.385
498 H LEU 64 H LEU 64 13.645 8.256 -2.659
499 HA LEU 64 HA LEU 64 11.047 9.014 -2.350
500 1HB LEU 64 2HB LEU 64 11.784 11.314 -2.313
501 2HB LEU 64 1HB LEU 64 12.995 10.300 -1.590
502 HG LEU 64 HG LEU 64 13.210 11.297 -4.472
503 1HD1 LEU 64 2HD1 LEU 64 14.402 12.404 -1.884
504 2HD1 LEU 64 1HD1 LEU 64 14.749 12.990 -3.498
505 3HD1 LEU 64 3HD1 LEU 64 13.146 13.186 -2.827
506 1HD2 LEU 64 1HD2 LEU 64 15.273 10.208 -2.504
507 2HD2 LEU 64 3HD2 LEU 64 14.653 9.359 -3.922
508 3HD2 LEU 64 2HD2 LEU 64 15.597 10.806 -4.122
509 H LEU 65 H LEU 65 9.254 9.249 -3.631
510 HA LEU 65 HA LEU 65 9.605 9.455 -6.570
511 1HB LEU 65 2HB LEU 65 7.710 8.222 -5.019
512 2HB LEU 65 1HB LEU 65 6.858 9.717 -5.332
513 HG LEU 65 HG LEU 65 6.144 8.303 -7.072
514 1HD1 LEU 65 1HD1 LEU 65 7.050 10.451 -8.074
515 2HD1 LEU 65 3HD1 LEU 65 8.578 9.653 -8.350
516 3HD1 LEU 65 2HD1 LEU 65 7.147 9.087 -9.166
517 1HD2 LEU 65 3HD2 LEU 65 7.759 6.492 -6.610
518 2HD2 LEU 65 2HD2 LEU 65 7.690 6.834 -8.330
519 3HD2 LEU 65 1HD2 LEU 65 9.043 7.411 -7.375
520 H MET 66 H MET 66 10.765 11.448 -5.977
521 HA MET 66 HA MET 66 9.568 13.959 -5.305
522 1HB MET 66 2HB MET 66 12.015 13.238 -5.270
523 2HB MET 66 1HB MET 66 12.050 13.470 -7.004
524 1HG MET 66 2HG MET 66 12.877 15.475 -5.886
525 2HG MET 66 1HG MET 66 11.371 15.864 -6.661
526 1HE MET 66 3HE MET 66 10.048 17.543 -5.671
527 2HE MET 66 2HE MET 66 9.008 16.164 -5.255
528 3HE MET 66 1HE MET 66 9.337 17.419 -4.078
529 H SER 67 H SER 67 9.387 12.307 -8.265
530 HA SER 67 HA SER 67 8.527 14.761 -9.757
531 1HB SER 67 2HB SER 67 8.937 13.344 -11.794
532 2HB SER 67 1HB SER 67 10.365 13.492 -10.757
533 HG SER 67 HG SER 67 8.423 11.384 -10.596
534 HA PRO 68 HA PRO 68 4.368 12.680 -9.427
535 1HB PRO 68 2HB PRO 68 2.964 14.819 -8.544
536 2HB PRO 68 1HB PRO 68 3.923 13.858 -7.414
537 1HG PRO 68 2HG PRO 68 4.866 16.353 -8.974
538 2HG PRO 68 1HG PRO 68 4.806 16.215 -7.220
539 1HD PRO 68 2HD PRO 68 7.080 15.670 -8.501
540 2HD PRO 68 1HD PRO 68 6.597 14.515 -7.235
541 H GLY 69 H GLY 69 2.417 13.395 -10.553
542 1HA GLY 69 2HA GLY 69 1.364 14.698 -12.420
543 2HA GLY 69 1HA GLY 69 2.974 15.088 -13.004
544 H GLN 70 H GLN 70 3.917 12.440 -12.690
545 HA GLN 70 HA GLN 70 2.669 11.180 -15.100
546 1HB GLN 70 2HB GLN 70 4.888 10.340 -15.620
547 2HB GLN 70 1HB GLN 70 5.092 12.001 -15.108
548 1HG GLN 70 2HG GLN 70 5.523 11.042 -12.687
549 2HG GLN 70 1HG GLN 70 5.620 9.469 -13.451
550 1HE2 GLN 70 2HE2 GLN 70 8.870 11.482 -13.273
551 2HE2 GLN 70 1HE2 GLN 70 7.516 11.689 -12.245
552 H SER 71 H SER 71 3.158 8.865 -15.342
553 HA SER 71 HA SER 71 2.192 7.297 -12.975
554 1HB SER 71 2HB SER 71 1.758 6.775 -15.941
555 2HB SER 71 1HB SER 71 1.031 5.908 -14.599
556 HG SER 71 HG SER 71 0.582 8.345 -13.921
557 H THR 72 H THR 72 3.286 5.683 -12.255
558 HA THR 72 HA THR 72 5.719 4.642 -13.678
559 HB THR 72 HB THR 72 5.259 4.508 -10.687
560 HG1 THR 72 HG1 THR 72 7.000 6.264 -12.034
561 1HG2 THR 72 1HG2 THR 72 7.761 4.516 -12.485
562 2HG2 THR 72 3HG2 THR 72 7.723 4.326 -10.734
563 3HG2 THR 72 2HG2 THR 72 7.088 3.061 -11.771
564 H SER 73 H SER 73 5.520 2.355 -14.274
565 HA SER 73 HA SER 73 3.301 0.868 -12.969
566 1HB SER 73 2HB SER 73 4.293 -0.819 -14.963
567 2HB SER 73 1HB SER 73 2.940 0.308 -15.109
568 HG SER 73 HG SER 73 4.188 1.824 -15.809
569 H THR 74 H THR 74 3.368 -0.981 -12.092
570 HA THR 74 HA THR 74 5.984 -2.171 -11.164
571 HB THR 74 HB THR 74 3.573 -2.586 -9.357
572 HG1 THR 74 HG1 THR 74 4.823 -0.123 -9.020
573 1HG2 THR 74 2HG2 THR 74 6.361 -1.403 -8.874
574 2HG2 THR 74 1HG2 THR 74 5.219 -1.964 -7.655
575 3HG2 THR 74 3HG2 THR 74 6.001 -3.114 -8.724
576 H THR 75 H THR 75 4.956 -3.058 -13.422
577 HA THR 75 HA THR 75 3.058 -5.202 -13.444
578 HB THR 75 HB THR 75 4.584 -3.998 -15.421
579 HG1 THR 75 HG1 THR 75 3.284 -6.492 -15.278
580 1HG2 THR 75 1HG2 THR 75 6.681 -5.342 -14.780
581 2HG2 THR 75 3HG2 THR 75 5.765 -6.794 -15.152
582 3HG2 THR 75 2HG2 THR 75 6.085 -5.624 -16.412
583 H PHE 76 H PHE 76 3.064 -7.385 -12.787
584 HA PHE 76 HA PHE 76 5.484 -8.160 -11.245
585 1HB PHE 76 2HB PHE 76 2.633 -9.143 -11.346
586 2HB PHE 76 1HB PHE 76 3.834 -10.144 -10.592
587 HD1 PHE 76 HD2 PHE 76 4.373 -6.540 -10.192
588 HD2 PHE 76 HD1 PHE 76 2.359 -9.929 -8.624
589 HE1 PHE 76 HE2 PHE 76 4.020 -5.348 -8.102
590 HE2 PHE 76 HE1 PHE 76 2.000 -8.751 -6.511
591 HZ PHE 76 HZ PHE 76 2.835 -6.434 -6.239
592 HA PRO 77 HA PRO 77 6.663 -11.414 -14.008
593 1HB PRO 77 2HB PRO 77 8.709 -12.412 -12.624
594 2HB PRO 77 1HB PRO 77 8.634 -10.660 -12.873
595 1HG PRO 77 2HG PRO 77 7.762 -12.292 -10.435
596 2HG PRO 77 1HG PRO 77 8.728 -10.828 -10.445
597 1HD PRO 77 2HD PRO 77 5.873 -10.953 -10.118
598 2HD PRO 77 1HD PRO 77 6.801 -9.472 -10.462
599 H ALA 78 H ALA 78 7.564 -13.920 -13.561
600 HA ALA 78 HA ALA 78 5.130 -15.482 -13.367
601 1HB ALA 78 3HB ALA 78 7.165 -16.131 -14.755
602 2HB ALA 78 2HB ALA 78 8.088 -16.309 -13.266
603 3HB ALA 78 1HB ALA 78 6.765 -17.408 -13.612
604 H ASP 79 H ASP 79 7.484 -14.459 -11.234
605 HA ASP 79 HA ASP 79 6.936 -16.152 -8.942
606 1HB ASP 79 2HB ASP 79 8.555 -13.563 -8.884
607 2HB ASP 79 1HB ASP 79 8.927 -15.092 -8.141
608 H ALA 80 H ALA 80 4.673 -14.993 -9.866
609 HA ALA 80 HA ALA 80 3.825 -12.985 -7.790
610 1HB ALA 80 2HB ALA 80 3.875 -12.148 -10.118
611 2HB ALA 80 1HB ALA 80 2.819 -13.441 -10.628
612 3HB ALA 80 3HB ALA 80 2.210 -12.205 -9.542
613 HA PRO 81 HA PRO 81 1.322 -16.919 -7.137
614 1HB PRO 81 2HB PRO 81 1.848 -17.239 -4.444
615 2HB PRO 81 1HB PRO 81 2.961 -17.830 -5.688
616 1HG PRO 81 2HG PRO 81 3.018 -15.062 -4.319
617 2HG PRO 81 1HG PRO 81 4.322 -16.257 -4.309
618 1HD PRO 81 2HD PRO 81 4.366 -14.317 -6.143
619 2HD PRO 81 1HD PRO 81 4.680 -15.968 -6.727
620 H ALA 82 H ALA 82 -0.604 -17.165 -5.593
621 HA ALA 82 HA ALA 82 -2.055 -14.628 -5.606
622 1HB ALA 82 3HB ALA 82 -2.842 -17.431 -4.641
623 2HB ALA 82 2HB ALA 82 -3.964 -16.098 -4.869
624 3HB ALA 82 1HB ALA 82 -3.129 -16.775 -6.249
625 H GLY 83 H GLY 83 -3.181 -13.721 -3.813
626 1HA GLY 83 2HA GLY 83 -3.424 -13.640 -1.286
627 2HA GLY 83 1HA GLY 83 -1.745 -14.115 -1.177
628 H GLU 84 H GLU 84 -1.988 -12.485 0.312
629 HA GLU 84 HA GLU 84 -2.209 -9.723 -0.089
630 1HB GLU 84 2HB GLU 84 -1.444 -11.629 2.079
631 2HB GLU 84 1HB GLU 84 -1.078 -9.949 2.339
632 1HG GLU 84 2HG GLU 84 -3.872 -10.687 1.317
633 2HG GLU 84 1HG GLU 84 -3.501 -10.757 3.031
634 H TYR 85 H TYR 85 -0.855 -8.684 -1.526
635 HA TYR 85 HA TYR 85 2.032 -8.423 -0.724
636 1HB TYR 85 2HB TYR 85 0.712 -7.457 -3.265
637 2HB TYR 85 1HB TYR 85 2.399 -7.296 -2.899
638 HD1 TYR 85 HD1 TYR 85 -0.127 -10.062 -3.184
639 HD2 TYR 85 HD2 TYR 85 3.834 -8.702 -3.960
640 HE1 TYR 85 HE1 TYR 85 0.369 -12.142 -4.425
641 HE2 TYR 85 HE2 TYR 85 4.289 -10.804 -5.193
642 HH TYR 85 HH TYR 85 1.767 -13.130 -5.695
643 H THR 86 H THR 86 2.483 -6.532 0.398
644 HA THR 86 HA THR 86 0.701 -4.147 -0.164
645 HB THR 86 HB THR 86 1.445 -5.345 2.486
646 HG1 THR 86 HG1 THR 86 -0.402 -3.597 1.272
647 1HG2 THR 86 3HG2 THR 86 0.922 -2.332 2.140
648 2HG2 THR 86 2HG2 THR 86 1.092 -3.227 3.645
649 3HG2 THR 86 1HG2 THR 86 2.487 -2.978 2.620
650 H PHE 87 H PHE 87 1.318 -2.276 -0.463
651 HA PHE 87 HA PHE 87 4.172 -1.629 -0.567
652 1HB PHE 87 2HB PHE 87 3.150 0.094 -2.382
653 2HB PHE 87 1HB PHE 87 3.832 -1.482 -2.715
654 HD1 PHE 87 HD1 PHE 87 2.184 -3.476 -2.491
655 HD2 PHE 87 HD2 PHE 87 0.982 0.535 -3.148
656 HE1 PHE 87 HE1 PHE 87 0.082 -4.279 -3.342
657 HE2 PHE 87 HE2 PHE 87 -1.148 -0.248 -4.035
658 HZ PHE 87 HZ PHE 87 -1.641 -2.670 -4.154
659 H TYR 88 H TYR 88 4.691 -0.105 1.061
660 HA TYR 88 HA TYR 88 2.837 2.137 1.603
661 1HB TYR 88 2HB TYR 88 3.969 2.145 3.879
662 2HB TYR 88 1HB TYR 88 2.854 0.848 3.484
663 HD1 TYR 88 HD1 TYR 88 6.515 1.678 3.555
664 HD2 TYR 88 HD2 TYR 88 3.554 -1.350 3.444
665 HE1 TYR 88 HE1 TYR 88 8.236 -0.023 3.907
666 HE2 TYR 88 HE2 TYR 88 5.268 -3.039 3.793
667 HH TYR 88 HH TYR 88 7.257 -3.277 4.624
668 H CYS 89 H CYS 89 3.754 4.373 1.515
669 HA CYS 89 HA CYS 89 6.685 4.480 0.744
670 1HB CYS 89 2HB CYS 89 5.418 7.143 0.969
671 2HB CYS 89 1HB CYS 89 6.299 6.434 -0.327
672 H GLU 90 H GLU 90 7.879 6.442 1.852
673 HA GLU 90 HA GLU 90 7.286 6.356 4.803
674 1HB GLU 90 2HB GLU 90 9.241 5.167 4.482
675 2HB GLU 90 1HB GLU 90 9.810 6.064 3.136
676 1HG GLU 90 2HG GLU 90 9.985 8.024 5.168
677 2HG GLU 90 1HG GLU 90 10.094 6.559 6.112
678 HA PRO 91 HA PRO 91 8.037 11.144 3.402
679 1HB PRO 91 2HB PRO 91 8.093 10.777 0.549
680 2HB PRO 91 1HB PRO 91 9.344 11.497 1.571
681 1HG PRO 91 2HG PRO 91 9.065 8.581 0.707
682 2HG PRO 91 1HG PRO 91 10.540 9.551 0.791
683 1HD PRO 91 2HD PRO 91 10.144 7.878 2.732
684 2HD PRO 91 1HD PRO 91 10.515 9.511 3.244
685 H HIS 92 HN HIP 92 6.121 10.771 4.301
686 HA HIS 92 HA HIP 92 3.764 11.718 3.763
687 1HB HIS 92 2HB HIP 92 2.296 10.473 2.295
688 2HB HIS 92 1HB HIP 92 3.755 10.563 1.362
689 HD2 HIS 92 HD2 HIP 92 4.725 8.165 3.838
690 HE1 HIS 92 HE1 HIP 92 2.416 5.824 1.306
691 HE2 HIS 92 HE2 HIP 92 4.015 5.827 3.191
692 H ARG 93 H ARG 93 5.186 9.262 5.390
693 HA ARG 93 HA ARG 93 3.102 7.673 6.423
694 1HB ARG 93 2HB ARG 93 5.563 7.259 6.394
695 2HB ARG 93 1HB ARG 93 5.753 8.438 7.667
696 1HG ARG 93 2HG ARG 93 3.754 6.755 8.752
697 2HG ARG 93 1HG ARG 93 4.649 5.652 7.750
698 1HD ARG 93 2HD ARG 93 6.565 5.755 9.002
699 2HD ARG 93 1HD ARG 93 6.327 7.441 9.466
700 HE ARG 93 HE ARG 93 4.626 5.175 10.580
701 1HH1 ARG 93 2HH1 ARG 93 4.100 8.150 10.646
702 2HH1 ARG 93 1HH1 ARG 93 4.399 8.478 12.307
703 1HH2 ARG 93 1HH2 ARG 93 6.012 5.415 12.567
704 2HH2 ARG 93 2HH2 ARG 93 5.566 6.816 13.485
705 H GLY 94 H GLY 94 1.778 9.823 6.724
706 1HA GLY 94 2HA GLY 94 1.308 10.233 9.674
707 2HA GLY 94 1HA GLY 94 1.204 11.593 8.558
708 H ALA 95 H ALA 95 0.007 10.412 6.474
709 HA ALA 95 HA ALA 95 -2.760 9.829 7.461
710 1HB ALA 95 1HB ALA 95 -1.704 11.179 4.967
711 2HB ALA 95 3HB ALA 95 -3.411 10.975 5.310
712 3HB ALA 95 2HB ALA 95 -2.415 12.005 6.339
713 H GLY 96 H GLY 96 -1.859 7.681 7.586
714 1HA GLY 96 2HA GLY 96 -1.184 5.502 6.630
715 2HA GLY 96 1HA GLY 96 -2.917 5.560 6.603
716 H MET 97 H MET 97 -0.583 6.874 4.324
717 HA MET 97 HA MET 97 -2.137 5.782 2.085
718 1HB MET 97 2HB MET 97 -0.902 7.946 1.996
719 2HB MET 97 1HB MET 97 0.589 7.094 2.094
720 1HG MET 97 2HG MET 97 -0.209 5.759 -0.044
721 2HG MET 97 1HG MET 97 -1.503 6.905 -0.127
722 1HE MET 97 3HE MET 97 -1.583 8.798 -1.367
723 2HE MET 97 2HE MET 97 -0.702 9.725 -0.140
724 3HE MET 97 1HE MET 97 -0.267 9.850 -1.847
725 H VAL 98 H VAL 98 -1.978 3.610 2.911
726 HA VAL 98 HA VAL 98 0.436 2.077 1.944
727 HB VAL 98 HB VAL 98 -1.675 1.282 3.962
728 1HG1 VAL 98 1HG1 VAL 98 0.927 -0.093 3.115
729 2HG1 VAL 98 3HG1 VAL 98 -0.122 -0.614 4.423
730 3HG1 VAL 98 2HG1 VAL 98 -0.694 -0.667 2.769
731 1HG2 VAL 98 2HG2 VAL 98 1.250 2.109 4.334
732 2HG2 VAL 98 1HG2 VAL 98 -0.150 3.048 4.812
733 3HG2 VAL 98 3HG2 VAL 98 0.189 1.523 5.605
734 H GLY 99 H GLY 99 0.128 0.581 0.301
735 1HA GLY 99 2HA GLY 99 -2.688 0.152 -0.689
736 2HA GLY 99 1HA GLY 99 -1.279 0.159 -1.718
737 H LYS 100 H LYS 100 -3.301 -1.792 -1.551
738 HA LYS 100 HA LYS 100 -1.678 -4.185 -0.855
739 1HB LYS 100 2HB LYS 100 -4.633 -3.844 -0.277
740 2HB LYS 100 1HB LYS 100 -3.665 -5.254 0.099
741 1HG LYS 100 2HG LYS 100 -2.183 -3.440 1.472
742 2HG LYS 100 1HG LYS 100 -3.576 -2.449 1.287
743 1HD LYS 100 2HD LYS 100 -3.465 -3.763 3.484
744 2HD LYS 100 1HD LYS 100 -4.973 -3.830 2.608
745 1HE LYS 100 2HE LYS 100 -4.184 -6.044 3.553
746 2HE LYS 100 1HE LYS 100 -4.550 -6.070 1.850
747 1HZ LYS 100 1HZ LYS 100 -1.743 -5.387 2.148
748 2HZ LYS 100 3HZ LYS 100 -2.195 -6.760 3.077
749 3HZ LYS 100 2HZ LYS 100 -2.539 -6.767 1.501
750 H ILE 101 H ILE 101 -1.471 -5.579 -2.301
751 HA ILE 101 HA ILE 101 -3.308 -5.878 -4.636
752 HB ILE 101 HB ILE 101 -0.320 -5.883 -4.384
753 1HG1 ILE 101 2HG1 ILE 101 -2.232 -5.798 -6.755
754 2HG1 ILE 101 1HG1 ILE 101 -1.476 -4.424 -5.989
755 1HG2 ILE 101 3HG2 ILE 101 -1.554 -8.197 -5.916
756 2HG2 ILE 101 2HG2 ILE 101 0.144 -7.771 -5.946
757 3HG2 ILE 101 1HG2 ILE 101 -0.583 -8.370 -4.497
758 1HD1 ILE 101 1HD1 ILE 101 0.080 -6.614 -7.544
759 2HD1 ILE 101 3HD1 ILE 101 -0.278 -5.045 -8.159
760 3HD1 ILE 101 2HD1 ILE 101 0.810 -5.236 -6.803
761 H THR 102 H THR 102 -4.567 -7.618 -4.433
762 HA THR 102 HA THR 102 -3.769 -9.973 -2.752
763 HB THR 102 HB THR 102 -6.477 -10.323 -2.973
764 HG1 THR 102 HG1 THR 102 -7.344 -8.482 -3.662
765 1HG2 THR 102 1HG2 THR 102 -5.197 -8.153 -1.260
766 2HG2 THR 102 3HG2 THR 102 -6.677 -9.020 -0.894
767 3HG2 THR 102 2HG2 THR 102 -5.132 -9.847 -0.834
768 H VAL 103 H VAL 103 -2.533 -10.667 -4.685
769 HA VAL 103 HA VAL 103 -3.650 -11.170 -7.221
770 HB VAL 103 HB VAL 103 -1.367 -12.481 -5.713
771 1HG1 VAL 103 1HG1 VAL 103 -2.276 -14.124 -7.533
772 2HG1 VAL 103 3HG1 VAL 103 -2.120 -12.812 -8.667
773 3HG1 VAL 103 2HG1 VAL 103 -0.694 -13.485 -7.896
774 1HG2 VAL 103 3HG2 VAL 103 -1.036 -10.196 -6.433
775 2HG2 VAL 103 2HG2 VAL 103 0.015 -11.316 -7.273
776 3HG2 VAL 103 1HG2 VAL 103 -1.395 -10.684 -8.090
777 H ALA 104 H ALA 104 -4.780 -12.537 -8.193
778 HA ALA 104 HA ALA 104 -5.698 -15.085 -6.921
779 1HB ALA 104 3HB ALA 104 -7.321 -12.990 -8.446
780 2HB ALA 104 2HB ALA 104 -7.986 -14.507 -7.848
781 3HB ALA 104 1HB ALA 104 -7.381 -13.300 -6.720
782 H GLY 105 HN GLY 105 -6.557 -13.921 -10.135
783 1HA GLY 105 2HA GLY 105 -4.990 -15.998 -11.578
784 2HA GLY 105 1HA GLY 105 -6.741 -16.047 -11.735
No H/Q in entry = 784
Start of MODEL 14
1 1H GLU 1 3H GLU 1 -4.112 -6.003 -14.982
2 2H GLU 1 2H GLU 1 -5.205 -6.431 -16.182
3 3H GLU 1 1H GLU 1 -3.778 -7.265 -16.082
4 HA GLU 1 HA GLU 1 -2.672 -5.882 -17.355
5 1HB GLU 1 2HB GLU 1 -5.430 -4.532 -17.640
6 2HB GLU 1 1HB GLU 1 -4.088 -4.246 -18.704
7 1HG GLU 1 2HG GLU 1 -5.781 -5.934 -19.613
8 2HG GLU 1 1HG GLU 1 -4.152 -6.548 -19.585
9 H THR 2 H THR 2 -2.401 -3.362 -17.844
10 HA THR 2 HA THR 2 -1.251 -2.020 -15.625
11 HB THR 2 HB THR 2 -1.137 -0.086 -17.437
12 HG1 THR 2 HG1 THR 2 -2.657 -0.590 -18.810
13 1HG2 THR 2 1HG2 THR 2 -0.342 -2.829 -18.553
14 2HG2 THR 2 3HG2 THR 2 0.304 -1.265 -18.980
15 3HG2 THR 2 2HG2 THR 2 0.690 -1.951 -17.417
16 H TYR 3 H TYR 3 -3.345 -2.200 -14.364
17 HA TYR 3 HA TYR 3 -5.237 0.048 -14.963
18 1HB TYR 3 2HB TYR 3 -5.301 -1.599 -12.375
19 2HB TYR 3 1HB TYR 3 -6.631 -0.822 -13.182
20 HD1 TYR 3 HD1 TYR 3 -6.909 -1.767 -15.797
21 HD2 TYR 3 HD2 TYR 3 -5.360 -3.891 -12.456
22 HE1 TYR 3 HE1 TYR 3 -7.500 -3.923 -16.867
23 HE2 TYR 3 HE2 TYR 3 -5.965 -6.012 -13.545
24 HH TYR 3 HH TYR 3 -7.376 -6.242 -16.720
25 H THR 4 H THR 4 -5.762 1.506 -12.946
26 HA THR 4 HA THR 4 -3.145 2.518 -11.819
27 HB THR 4 HB THR 4 -3.813 4.198 -13.228
28 HG1 THR 4 HG1 THR 4 -3.424 5.114 -11.437
29 1HG2 THR 4 3HG2 THR 4 -6.612 3.978 -11.994
30 2HG2 THR 4 2HG2 THR 4 -6.110 5.169 -13.191
31 3HG2 THR 4 1HG2 THR 4 -6.198 3.470 -13.622
32 H VAL 5 H VAL 5 -2.808 2.409 -9.742
33 HA VAL 5 HA VAL 5 -5.152 2.520 -7.835
34 HB VAL 5 HB VAL 5 -2.435 1.258 -7.329
35 1HG1 VAL 5 1HG1 VAL 5 -5.128 1.014 -5.866
36 2HG1 VAL 5 3HG1 VAL 5 -3.663 0.142 -5.446
37 3HG1 VAL 5 2HG1 VAL 5 -3.739 1.875 -5.239
38 1HG2 VAL 5 2HG2 VAL 5 -3.756 0.095 -9.127
39 2HG2 VAL 5 1HG2 VAL 5 -3.645 -0.868 -7.664
40 3HG2 VAL 5 3HG2 VAL 5 -5.129 -0.008 -8.044
41 H LYS 6 H LYS 6 -3.652 4.662 -9.054
42 HA LYS 6 HA LYS 6 -1.747 6.162 -7.955
43 1HB LYS 6 2HB LYS 6 -2.867 8.081 -8.789
44 2HB LYS 6 1HB LYS 6 -3.308 6.702 -9.781
45 1HG LYS 6 2HG LYS 6 -5.287 6.858 -7.694
46 2HG LYS 6 1HG LYS 6 -5.055 8.496 -8.259
47 1HD LYS 6 2HD LYS 6 -6.549 7.902 -9.928
48 2HD LYS 6 1HD LYS 6 -5.160 7.178 -10.702
49 1HE LYS 6 2HE LYS 6 -6.847 5.490 -10.671
50 2HE LYS 6 1HE LYS 6 -5.719 5.030 -9.398
51 1HZ LYS 6 2HZ LYS 6 -7.583 6.911 -8.344
52 2HZ LYS 6 1HZ LYS 6 -8.475 5.712 -9.004
53 3HZ LYS 6 3HZ LYS 6 -7.385 5.304 -7.900
54 H LEU 7 H LEU 7 -1.366 7.909 -6.547
55 HA LEU 7 HA LEU 7 -2.868 7.681 -3.985
56 1HB LEU 7 2HB LEU 7 -0.684 8.717 -3.089
57 2HB LEU 7 1HB LEU 7 -0.670 7.046 -3.589
58 HG LEU 7 HG LEU 7 1.331 8.379 -4.137
59 1HD1 LEU 7 1HD1 LEU 7 0.966 6.240 -5.234
60 2HD1 LEU 7 3HD1 LEU 7 0.040 6.979 -6.510
61 3HD1 LEU 7 2HD1 LEU 7 1.715 7.377 -6.337
62 1HD2 LEU 7 1HD2 LEU 7 0.304 10.419 -4.828
63 2HD2 LEU 7 3HD2 LEU 7 1.458 9.727 -5.942
64 3HD2 LEU 7 2HD2 LEU 7 -0.277 9.623 -6.278
65 H GLY 8 H GLY 8 -4.059 9.169 -3.426
66 1HA GLY 8 2HA GLY 8 -5.012 11.407 -3.076
67 2HA GLY 8 1HA GLY 8 -3.585 12.079 -3.917
68 H SER 9 H SER 9 -6.205 9.846 -4.509
69 HA SER 9 HA SER 9 -6.348 10.584 -7.399
70 1HB SER 9 2HB SER 9 -6.612 8.233 -6.302
71 2HB SER 9 1HB SER 9 -8.287 8.731 -6.004
72 HG SER 9 HG SER 9 -8.679 8.549 -8.003
73 H ASP 10 H ASP 10 -6.918 12.525 -5.482
74 HA ASP 10 HA ASP 10 -9.573 13.436 -6.368
75 1HB ASP 10 2HB ASP 10 -10.045 13.975 -3.908
76 2HB ASP 10 1HB ASP 10 -9.576 12.294 -4.066
77 H LYS 11 H LYS 11 -8.764 15.483 -4.197
78 HA LYS 11 HA LYS 11 -7.602 17.496 -6.067
79 1HB LYS 11 2HB LYS 11 -9.669 18.208 -4.906
80 2HB LYS 11 1HB LYS 11 -9.046 17.645 -3.377
81 1HG LYS 11 2HG LYS 11 -8.874 20.119 -3.428
82 2HG LYS 11 1HG LYS 11 -7.307 19.379 -3.310
83 1HD LYS 11 2HD LYS 11 -6.952 21.057 -4.993
84 2HD LYS 11 1HD LYS 11 -7.077 19.577 -5.881
85 1HE LYS 11 2HE LYS 11 -8.396 21.200 -7.061
86 2HE LYS 11 1HE LYS 11 -9.516 20.063 -6.312
87 1HZ LYS 11 2HZ LYS 11 -8.848 22.030 -4.402
88 2HZ LYS 11 1HZ LYS 11 -9.291 22.866 -5.802
89 3HZ LYS 11 3HZ LYS 11 -10.372 21.773 -5.085
90 H GLY 12 H GLY 12 -7.005 15.863 -3.112
91 1HA GLY 12 2HA GLY 12 -4.237 15.738 -3.159
92 2HA GLY 12 1HA GLY 12 -4.560 17.239 -2.324
93 H LEU 13 H LEU 13 -6.118 14.016 -2.020
94 HA LEU 13 HA LEU 13 -5.548 14.183 0.919
95 1HB LEU 13 2HB LEU 13 -7.873 13.844 -0.174
96 2HB LEU 13 1HB LEU 13 -7.355 12.246 -0.601
97 HG LEU 13 HG LEU 13 -7.354 13.256 2.301
98 1HD1 LEU 13 1HD1 LEU 13 -9.462 11.689 0.741
99 2HD1 LEU 13 3HD1 LEU 13 -9.548 12.053 2.458
100 3HD1 LEU 13 2HD1 LEU 13 -9.629 13.346 1.273
101 1HD2 LEU 13 2HD2 LEU 13 -7.501 10.450 1.095
102 2HD2 LEU 13 1HD2 LEU 13 -6.045 11.096 1.813
103 3HD2 LEU 13 3HD2 LEU 13 -7.448 10.815 2.806
104 H LEU 14 H LEU 14 -4.339 12.542 1.963
105 HA LEU 14 HA LEU 14 -2.444 11.113 0.241
106 1HB LEU 14 2HB LEU 14 -2.766 11.214 3.265
107 2HB LEU 14 1HB LEU 14 -1.424 10.448 2.469
108 HG LEU 14 HG LEU 14 -2.112 13.414 2.109
109 1HD1 LEU 14 3HD1 LEU 14 0.044 12.021 3.771
110 2HD1 LEU 14 2HD1 LEU 14 -0.143 13.754 3.580
111 3HD1 LEU 14 1HD1 LEU 14 -1.368 12.830 4.429
112 1HD2 LEU 14 1HD2 LEU 14 0.369 11.770 1.383
113 2HD2 LEU 14 3HD2 LEU 14 -0.804 12.385 0.225
114 3HD2 LEU 14 2HD2 LEU 14 0.177 13.493 1.149
115 H VAL 15 H VAL 15 -4.783 9.932 -0.371
116 HA VAL 15 HA VAL 15 -4.590 7.199 0.906
117 HB VAL 15 HB VAL 15 -6.713 8.352 1.232
118 1HG1 VAL 15 2HG1 VAL 15 -6.796 9.673 -0.912
119 2HG1 VAL 15 1HG1 VAL 15 -6.996 8.190 -1.821
120 3HG1 VAL 15 3HG1 VAL 15 -8.243 8.714 -0.711
121 1HG2 VAL 15 3HG2 VAL 15 -6.730 5.853 1.084
122 2HG2 VAL 15 2HG2 VAL 15 -8.205 6.538 0.442
123 3HG2 VAL 15 1HG2 VAL 15 -6.981 5.946 -0.655
124 H PHE 16 H PHE 16 -4.703 5.334 -0.381
125 HA PHE 16 HA PHE 16 -3.743 5.603 -3.223
126 1HB PHE 16 2HB PHE 16 -3.897 3.175 -1.345
127 2HB PHE 16 1HB PHE 16 -3.396 3.077 -3.017
128 HD1 PHE 16 HD1 PHE 16 -1.813 5.974 -2.275
129 HD2 PHE 16 HD2 PHE 16 -1.789 1.922 -1.097
130 HE1 PHE 16 HE1 PHE 16 0.553 6.186 -1.613
131 HE2 PHE 16 HE2 PHE 16 0.578 2.108 -0.410
132 HZ PHE 16 HZ PHE 16 1.745 4.238 -0.678
133 H GLU 17 H GLU 17 -5.312 5.551 -4.685
134 HA GLU 17 HA GLU 17 -7.873 4.112 -4.017
135 1HB GLU 17 2HB GLU 17 -7.972 6.529 -4.110
136 2HB GLU 17 1HB GLU 17 -7.409 6.464 -5.767
137 1HG GLU 17 2HG GLU 17 -9.849 4.767 -5.204
138 2HG GLU 17 1HG GLU 17 -10.101 6.495 -5.158
139 HA PRO 18 HA PRO 18 -8.828 2.471 -4.217
140 1HB PRO 18 2HB PRO 18 -10.009 0.342 -5.086
141 2HB PRO 18 1HB PRO 18 -10.320 1.900 -5.882
142 1HG PRO 18 2HG PRO 18 -8.333 -0.280 -6.753
143 2HG PRO 18 1HG PRO 18 -9.592 0.478 -7.733
144 1HD PRO 18 2HD PRO 18 -6.929 1.406 -7.666
145 2HD PRO 18 1HD PRO 18 -8.312 2.431 -8.091
146 H ALA 19 H ALA 19 -6.601 2.220 -3.220
147 HA ALA 19 HA ALA 19 -4.699 0.720 -2.650
148 1HB ALA 19 3HB ALA 19 -5.728 2.077 -0.920
149 2HB ALA 19 2HB ALA 19 -6.975 0.885 -0.650
150 3HB ALA 19 1HB ALA 19 -5.310 0.527 -0.222
151 H LYS 20 H LYS 20 -7.634 -1.098 -2.384
152 HA LYS 20 HA LYS 20 -6.230 -3.632 -1.711
153 1HB LYS 20 2HB LYS 20 -8.591 -4.542 -1.585
154 2HB LYS 20 1HB LYS 20 -8.395 -3.074 -0.600
155 1HG LYS 20 2HG LYS 20 -9.474 -1.684 -2.377
156 2HG LYS 20 1HG LYS 20 -9.343 -2.958 -3.536
157 1HD LYS 20 2HD LYS 20 -11.626 -2.886 -3.035
158 2HD LYS 20 1HD LYS 20 -11.054 -4.315 -2.236
159 1HE LYS 20 2HE LYS 20 -11.483 -1.624 -0.868
160 2HE LYS 20 1HE LYS 20 -12.681 -2.915 -0.896
161 1HZ LYS 20 2HZ LYS 20 -10.197 -4.023 -0.225
162 2HZ LYS 20 1HZ LYS 20 -10.427 -2.692 0.813
163 3HZ LYS 20 3HZ LYS 20 -11.573 -3.947 0.772
164 H LEU 21 H LEU 21 -5.351 -2.811 -4.100
165 HA LEU 21 HA LEU 21 -6.706 -3.623 -6.429
166 1HB LEU 21 2HB LEU 21 -4.544 -2.283 -6.202
167 2HB LEU 21 1HB LEU 21 -3.699 -3.769 -5.864
168 HG LEU 21 HG LEU 21 -3.608 -2.792 -8.326
169 1HD1 LEU 21 3HD1 LEU 21 -2.767 -5.057 -7.713
170 2HD1 LEU 21 2HD1 LEU 21 -4.375 -5.701 -7.963
171 3HD1 LEU 21 1HD1 LEU 21 -3.496 -4.984 -9.285
172 1HD2 LEU 21 1HD2 LEU 21 -6.129 -2.570 -8.575
173 2HD2 LEU 21 3HD2 LEU 21 -5.419 -3.620 -9.783
174 3HD2 LEU 21 2HD2 LEU 21 -6.263 -4.315 -8.428
175 H THR 22 H THR 22 -7.821 -5.429 -6.341
176 HA THR 22 HA THR 22 -6.429 -8.042 -5.885
177 HB THR 22 HB THR 22 -9.449 -7.540 -6.151
178 HG1 THR 22 HG1 THR 22 -8.191 -6.590 -4.347
179 1HG2 THR 22 3HG2 THR 22 -8.541 -9.975 -6.442
180 2HG2 THR 22 2HG2 THR 22 -7.799 -9.789 -4.864
181 3HG2 THR 22 1HG2 THR 22 -9.540 -9.726 -5.020
182 H ILE 23 H ILE 23 -5.304 -7.871 -7.805
183 HA ILE 23 HA ILE 23 -6.752 -8.294 -10.325
184 HB ILE 23 HB ILE 23 -4.489 -8.005 -11.352
185 1HG1 ILE 23 2HG1 ILE 23 -2.766 -6.726 -9.983
186 2HG1 ILE 23 1HG1 ILE 23 -3.540 -7.459 -8.587
187 1HG2 ILE 23 3HG2 ILE 23 -5.630 -5.752 -9.781
188 2HG2 ILE 23 2HG2 ILE 23 -4.472 -5.561 -11.101
189 3HG2 ILE 23 1HG2 ILE 23 -6.066 -6.239 -11.403
190 1HD1 ILE 23 1HD1 ILE 23 -2.327 -8.988 -10.933
191 2HD1 ILE 23 3HD1 ILE 23 -1.573 -8.764 -9.379
192 3HD1 ILE 23 2HD1 ILE 23 -3.023 -9.735 -9.512
193 H LYS 24 H LYS 24 -5.324 -9.635 -11.976
194 HA LYS 24 HA LYS 24 -4.900 -12.181 -10.541
195 1HB LYS 24 2HB LYS 24 -5.671 -13.274 -12.673
196 2HB LYS 24 1HB LYS 24 -6.771 -11.989 -12.257
197 1HG LYS 24 2HG LYS 24 -4.916 -10.610 -13.801
198 2HG LYS 24 1HG LYS 24 -4.842 -12.173 -14.554
199 1HD LYS 24 2HD LYS 24 -7.413 -12.160 -14.699
200 2HD LYS 24 1HD LYS 24 -7.365 -10.526 -14.066
201 1HE LYS 24 2HE LYS 24 -5.959 -11.274 -16.660
202 2HE LYS 24 1HE LYS 24 -7.608 -10.646 -16.625
203 1HZ LYS 24 3HZ LYS 24 -5.945 -9.082 -14.933
204 2HZ LYS 24 2HZ LYS 24 -5.188 -9.230 -16.370
205 3HZ LYS 24 1HZ LYS 24 -6.687 -8.537 -16.359
206 HA PRO 25 HA PRO 25 -0.689 -12.457 -10.821
207 1HB PRO 25 2HB PRO 25 -0.149 -14.780 -12.348
208 2HB PRO 25 1HB PRO 25 -0.531 -14.749 -10.625
209 1HG PRO 25 2HG PRO 25 -2.475 -15.083 -12.969
210 2HG PRO 25 1HG PRO 25 -2.355 -16.079 -11.510
211 1HD PRO 25 2HD PRO 25 -4.235 -14.238 -11.514
212 2HD PRO 25 1HD PRO 25 -3.164 -14.258 -10.103
213 H GLY 26 H GLY 26 -0.289 -10.496 -11.945
214 1HA GLY 26 2HA GLY 26 1.617 -10.154 -13.811
215 2HA GLY 26 1HA GLY 26 0.394 -10.782 -14.876
216 H ASP 27 H ASP 27 -1.776 -9.296 -13.604
217 HA ASP 27 HA ASP 27 -2.018 -7.150 -15.256
218 1HB ASP 27 2HB ASP 27 -2.885 -7.627 -12.407
219 2HB ASP 27 1HB ASP 27 -3.576 -6.266 -13.227
220 H THR 28 H THR 28 -0.318 -6.099 -15.718
221 HA THR 28 HA THR 28 1.661 -4.789 -14.295
222 HB THR 28 HB THR 28 0.568 -4.011 -16.992
223 HG1 THR 28 HG1 THR 28 1.538 -6.410 -15.958
224 1HG2 THR 28 2HG2 THR 28 3.411 -4.418 -15.917
225 2HG2 THR 28 1HG2 THR 28 2.993 -3.878 -17.530
226 3HG2 THR 28 3HG2 THR 28 2.733 -2.825 -16.153
227 H VAL 29 H VAL 29 -0.492 -3.863 -13.085
228 HA VAL 29 HA VAL 29 -1.390 -1.237 -13.360
229 HB VAL 29 HB VAL 29 -0.813 -2.957 -10.904
230 1HG1 VAL 29 2HG1 VAL 29 -1.024 -0.575 -10.150
231 2HG1 VAL 29 1HG1 VAL 29 -2.556 -0.434 -10.983
232 3HG1 VAL 29 3HG1 VAL 29 -2.389 -1.528 -9.622
233 1HG2 VAL 29 2HG2 VAL 29 -3.403 -2.308 -12.365
234 2HG2 VAL 29 1HG2 VAL 29 -2.556 -3.844 -12.455
235 3HG2 VAL 29 3HG2 VAL 29 -3.290 -3.338 -10.948
236 H GLU 30 H GLU 30 -1.053 0.633 -12.571
237 HA GLU 30 HA GLU 30 1.690 1.413 -11.855
238 1HB GLU 30 2HB GLU 30 1.459 3.301 -13.230
239 2HB GLU 30 1HB GLU 30 0.825 1.931 -14.100
240 1HG GLU 30 2HG GLU 30 -0.849 3.602 -14.503
241 2HG GLU 30 1HG GLU 30 -1.535 2.653 -13.205
242 H PHE 31 H PHE 31 1.937 3.341 -10.617
243 HA PHE 31 HA PHE 31 -0.185 3.917 -8.548
244 1HB PHE 31 2HB PHE 31 2.751 4.247 -8.098
245 2HB PHE 31 1HB PHE 31 1.464 4.190 -6.914
246 HD1 PHE 31 HD1 PHE 31 -0.003 1.714 -8.152
247 HD2 PHE 31 HD2 PHE 31 4.058 2.540 -7.213
248 HE1 PHE 31 HE1 PHE 31 0.429 -0.688 -7.878
249 HE2 PHE 31 HE2 PHE 31 4.490 0.139 -6.936
250 HZ PHE 31 HZ PHE 31 2.682 -1.471 -7.267
251 H LEU 32 H LEU 32 -0.732 5.672 -10.492
252 HA LEU 32 HA LEU 32 0.966 7.788 -11.127
253 1HB LEU 32 2HB LEU 32 -1.373 7.286 -12.096
254 2HB LEU 32 1HB LEU 32 -2.058 7.975 -10.653
255 HG LEU 32 HG LEU 32 -0.783 10.153 -11.218
256 1HD1 LEU 32 2HD1 LEU 32 0.741 9.013 -12.894
257 2HD1 LEU 32 1HD1 LEU 32 -0.656 8.644 -13.865
258 3HD1 LEU 32 3HD1 LEU 32 -0.169 10.316 -13.634
259 1HD2 LEU 32 1HD2 LEU 32 -3.245 9.780 -11.575
260 2HD2 LEU 32 3HD2 LEU 32 -2.554 10.773 -12.846
261 3HD2 LEU 32 2HD2 LEU 32 -2.894 9.076 -13.142
262 H ASN 33 H ASN 33 1.653 9.528 -10.481
263 HA ASN 33 HA ASN 33 1.353 10.370 -7.654
264 1HB ASN 33 2HB ASN 33 3.617 9.845 -8.540
265 2HB ASN 33 1HB ASN 33 3.426 11.015 -9.825
266 1HD2 ASN 33 2HD2 ASN 33 4.644 13.525 -7.786
267 2HD2 ASN 33 1HD2 ASN 33 4.421 12.927 -9.369
268 H ASN 34 H ASN 34 -0.606 11.363 -7.730
269 HA ASN 34 HA ASN 34 -0.993 13.692 -9.557
270 1HB ASN 34 2HB ASN 34 -2.828 12.055 -9.412
271 2HB ASN 34 1HB ASN 34 -2.941 12.254 -7.675
272 1HD2 ASN 34 2HD2 ASN 34 -5.534 14.565 -8.259
273 2HD2 ASN 34 1HD2 ASN 34 -4.978 13.194 -7.466
274 H LYS 35 H LYS 35 -1.173 13.354 -6.002
275 HA LYS 35 HA LYS 35 -0.594 16.302 -5.881
276 1HB LYS 35 2HB LYS 35 -2.771 14.774 -4.384
277 2HB LYS 35 1HB LYS 35 -2.410 16.463 -4.078
278 1HG LYS 35 2HG LYS 35 -3.261 15.371 -6.805
279 2HG LYS 35 1HG LYS 35 -4.363 16.037 -5.648
280 1HD LYS 35 2HD LYS 35 -3.270 18.244 -5.715
281 2HD LYS 35 1HD LYS 35 -1.946 17.653 -6.689
282 1HE LYS 35 2HE LYS 35 -4.807 17.529 -7.675
283 2HE LYS 35 1HE LYS 35 -3.828 18.980 -7.875
284 1HZ LYS 35 3HZ LYS 35 -2.258 16.723 -8.576
285 2HZ LYS 35 2HZ LYS 35 -3.677 16.541 -9.384
286 3HZ LYS 35 1HZ LYS 35 -2.754 17.932 -9.629
287 H VAL 36 H VAL 36 -0.501 16.899 -3.369
288 HA VAL 36 HA VAL 36 1.507 17.073 -1.958
289 HB VAL 36 HB VAL 36 -0.208 14.851 -0.804
290 1HG1 VAL 36 3HG1 VAL 36 1.334 17.150 0.507
291 2HG1 VAL 36 2HG1 VAL 36 0.346 15.977 1.354
292 3HG1 VAL 36 1HG1 VAL 36 1.806 15.464 0.538
293 1HG2 VAL 36 1HG2 VAL 36 -0.723 17.871 -0.759
294 2HG2 VAL 36 3HG2 VAL 36 -1.702 16.690 -1.621
295 3HG2 VAL 36 2HG2 VAL 36 -1.642 16.667 0.119
296 HA PRO 37 HA PRO 37 4.384 13.574 -3.115
297 1HB PRO 37 2HB PRO 37 6.386 15.476 -3.661
298 2HB PRO 37 1HB PRO 37 5.339 14.745 -4.882
299 1HG PRO 37 2HG PRO 37 4.861 17.347 -3.307
300 2HG PRO 37 1HG PRO 37 4.869 17.151 -5.066
301 1HD PRO 37 2HD PRO 37 2.521 17.100 -3.864
302 2HD PRO 37 1HD PRO 37 2.843 15.748 -4.974
303 HA PRO 38 HA PRO 38 6.723 13.306 -3.319
304 1HB PRO 38 2HB PRO 38 8.849 12.117 -1.774
305 2HB PRO 38 1HB PRO 38 8.946 13.456 -2.935
306 1HG PRO 38 2HG PRO 38 9.382 13.848 -0.195
307 2HG PRO 38 1HG PRO 38 8.717 15.114 -1.226
308 1HD PRO 38 2HD PRO 38 7.134 13.117 0.482
309 2HD PRO 38 1HD PRO 38 6.999 14.894 0.454
310 H HIS 39 HN HIP 39 5.601 11.571 -3.985
311 HA HIS 39 HA HIP 39 5.053 9.425 -2.049
312 1HB HIS 39 2HB HIP 39 3.984 9.863 -4.881
313 2HB HIS 39 1HB HIP 39 3.471 8.538 -3.860
314 HD2 HIS 39 HD2 HIP 39 2.584 12.028 -4.740
315 HE1 HIS 39 HE1 HIP 39 0.727 11.397 -1.084
316 HE2 HIS 39 HE2 HIP 39 0.948 12.830 -3.054
317 H ASN 40 H ASN 40 7.022 8.526 -1.878
318 HA ASN 40 HA ASN 40 7.882 6.804 -4.184
319 1HB ASN 40 2HB ASN 40 9.378 7.609 -1.650
320 2HB ASN 40 1HB ASN 40 10.044 6.865 -3.082
321 1HD2 ASN 40 2HD2 ASN 40 10.327 9.854 -4.762
322 2HD2 ASN 40 1HD2 ASN 40 10.686 8.203 -4.673
323 H VAL 41 H VAL 41 7.139 4.672 -3.931
324 HA VAL 41 HA VAL 41 6.709 3.919 -1.093
325 HB VAL 41 HB VAL 41 5.107 2.518 -1.447
326 1HG1 VAL 41 3HG1 VAL 41 4.579 4.866 -3.388
327 2HG1 VAL 41 2HG1 VAL 41 3.292 3.863 -2.760
328 3HG1 VAL 41 1HG1 VAL 41 4.204 4.884 -1.687
329 1HG2 VAL 41 2HG2 VAL 41 5.491 2.731 -4.502
330 2HG2 VAL 41 1HG2 VAL 41 5.606 1.267 -3.552
331 3HG2 VAL 41 3HG2 VAL 41 4.056 2.008 -3.825
332 H VAL 42 H VAL 42 7.941 2.387 -0.227
333 HA VAL 42 HA VAL 42 9.378 0.443 -2.007
334 HB VAL 42 HB VAL 42 10.600 -0.163 0.200
335 1HG1 VAL 42 2HG1 VAL 42 10.661 2.719 -0.737
336 2HG1 VAL 42 1HG1 VAL 42 11.934 1.965 0.190
337 3HG1 VAL 42 3HG1 VAL 42 11.588 1.416 -1.437
338 1HG2 VAL 42 2HG2 VAL 42 9.175 2.352 1.203
339 2HG2 VAL 42 1HG2 VAL 42 8.897 0.725 1.818
340 3HG2 VAL 42 3HG2 VAL 42 10.447 1.498 2.035
341 H PHE 43 H PHE 43 9.331 -1.968 -0.816
342 HA PHE 43 HA PHE 43 6.467 -2.484 -0.452
343 1HB PHE 43 2HB PHE 43 8.571 -3.822 -1.802
344 2HB PHE 43 1HB PHE 43 8.217 -4.855 -0.416
345 HD1 PHE 43 HD2 PHE 43 5.712 -5.063 0.189
346 HD2 PHE 43 HD1 PHE 43 7.119 -3.929 -3.649
347 HE1 PHE 43 HE2 PHE 43 3.618 -5.592 -0.694
348 HE2 PHE 43 HE1 PHE 43 5.001 -4.446 -4.603
349 HZ PHE 43 HZ PHE 43 3.151 -5.324 -3.178
350 H ASP 44 H ASP 44 5.404 -3.162 1.322
351 HA ASP 44 HA ASP 44 6.583 -3.021 3.914
352 1HB ASP 44 2HB ASP 44 4.012 -4.195 2.785
353 2HB ASP 44 1HB ASP 44 4.288 -4.106 4.506
354 H ALA 45 H ALA 45 8.480 -4.498 3.491
355 HA ALA 45 HA ALA 45 8.539 -7.162 2.785
356 1HB ALA 45 2HB ALA 45 10.140 -5.656 4.992
357 2HB ALA 45 1HB ALA 45 10.723 -7.126 4.235
358 3HB ALA 45 3HB ALA 45 10.572 -5.654 3.290
359 H ALA 46 H ALA 46 6.812 -6.482 5.415
360 HA ALA 46 HA ALA 46 7.108 -9.280 6.480
361 1HB ALA 46 3HB ALA 46 6.002 -6.745 7.785
362 2HB ALA 46 2HB ALA 46 6.130 -8.306 8.580
363 3HB ALA 46 1HB ALA 46 7.580 -7.455 8.083
364 H LEU 47 H LEU 47 5.003 -7.283 4.748
365 HA LEU 47 HA LEU 47 2.541 -8.863 5.295
366 1HB LEU 47 2HB LEU 47 3.147 -6.175 4.023
367 2HB LEU 47 1HB LEU 47 1.603 -6.942 3.779
368 HG LEU 47 HG LEU 47 1.172 -6.944 6.224
369 1HD1 LEU 47 3HD1 LEU 47 3.813 -5.415 6.377
370 2HD1 LEU 47 2HD1 LEU 47 2.691 -5.637 7.707
371 3HD1 LEU 47 1HD1 LEU 47 3.543 -7.015 7.058
372 1HD2 LEU 47 2HD2 LEU 47 2.075 -4.255 5.097
373 2HD2 LEU 47 1HD2 LEU 47 0.512 -4.998 4.826
374 3HD2 LEU 47 3HD2 LEU 47 0.962 -4.471 6.433
375 H ASN 48 H ASN 48 4.174 -10.471 4.128
376 HA ASN 48 HA ASN 48 3.269 -10.655 1.296
377 1HB ASN 48 2HB ASN 48 5.685 -11.882 1.104
378 2HB ASN 48 1HB ASN 48 5.617 -10.123 1.143
379 1HD2 ASN 48 2HD2 ASN 48 8.006 -10.569 3.723
380 2HD2 ASN 48 1HD2 ASN 48 7.922 -10.345 2.051
381 HA PRO 49 HA PRO 49 1.885 -14.861 2.386
382 1HB PRO 49 2HB PRO 49 2.391 -16.135 -0.044
383 2HB PRO 49 1HB PRO 49 1.000 -15.098 0.229
384 1HG PRO 49 2HG PRO 49 3.706 -14.248 -0.978
385 2HG PRO 49 1HG PRO 49 2.090 -14.023 -1.639
386 1HD PRO 49 2HD PRO 49 3.168 -11.998 -0.282
387 2HD PRO 49 1HD PRO 49 1.477 -12.418 0.073
388 H ALA 50 H ALA 50 4.634 -15.415 0.279
389 HA ALA 50 HA ALA 50 5.842 -17.286 2.218
390 1HB ALA 50 1HB ALA 50 5.856 -17.747 -0.254
391 2HB ALA 50 3HB ALA 50 6.812 -16.287 -0.504
392 3HB ALA 50 2HB ALA 50 7.499 -17.631 0.375
393 H LYS 51 H LYS 51 5.810 -15.175 3.553
394 HA LYS 51 HA LYS 51 7.070 -13.095 4.147
395 1HB LYS 51 2HB LYS 51 7.846 -15.660 5.467
396 2HB LYS 51 1HB LYS 51 8.219 -14.078 6.136
397 1HG LYS 51 2HG LYS 51 5.349 -14.621 5.322
398 2HG LYS 51 1HG LYS 51 5.952 -15.371 6.782
399 1HD LYS 51 2HD LYS 51 6.511 -13.268 7.811
400 2HD LYS 51 1HD LYS 51 6.426 -12.379 6.313
401 1HE LYS 51 2HE LYS 51 3.975 -13.781 7.420
402 2HE LYS 51 1HE LYS 51 4.445 -12.176 7.989
403 1HZ LYS 51 1HZ LYS 51 4.749 -12.156 5.211
404 2HZ LYS 51 3HZ LYS 51 3.256 -12.829 5.420
405 3HZ LYS 51 2HZ LYS 51 3.651 -11.306 6.101
406 H SER 52 H SER 52 8.299 -13.213 1.911
407 HA SER 52 HA SER 52 11.243 -13.261 2.449
408 1HB SER 52 2HB SER 52 9.762 -13.299 -0.201
409 2HB SER 52 1HB SER 52 11.522 -13.133 -0.065
410 HG SER 52 HG SER 52 9.921 -15.174 1.094
411 H ALA 53 H ALA 53 12.399 -11.445 2.468
412 HA ALA 53 HA ALA 53 11.045 -8.848 1.779
413 1HB ALA 53 2HB ALA 53 11.849 -9.188 4.137
414 2HB ALA 53 1HB ALA 53 13.475 -9.495 3.554
415 3HB ALA 53 3HB ALA 53 12.765 -7.901 3.370
416 H ASP 54 H ASP 54 12.015 -10.400 -0.300
417 HA ASP 54 HA ASP 54 14.090 -8.611 -1.325
418 1HB ASP 54 2HB ASP 54 14.968 -10.977 -0.937
419 2HB ASP 54 1HB ASP 54 13.736 -11.581 -2.047
420 H LEU 55 H LEU 55 12.942 -10.673 -3.742
421 HA LEU 55 HA LEU 55 12.144 -9.282 -5.774
422 1HB LEU 55 2HB LEU 55 11.249 -11.536 -5.462
423 2HB LEU 55 1HB LEU 55 10.075 -10.988 -4.298
424 HG LEU 55 HG LEU 55 9.210 -11.522 -6.688
425 1HD1 LEU 55 3HD1 LEU 55 7.825 -10.083 -5.122
426 2HD1 LEU 55 2HD1 LEU 55 8.603 -8.650 -5.766
427 3HD1 LEU 55 1HD1 LEU 55 7.632 -9.638 -6.803
428 1HD2 LEU 55 3HD2 LEU 55 11.043 -10.388 -7.945
429 2HD2 LEU 55 2HD2 LEU 55 9.480 -9.727 -8.381
430 3HD2 LEU 55 1HD2 LEU 55 10.529 -8.834 -7.317
431 H ALA 56 H ALA 56 9.881 -9.009 -3.108
432 HA ALA 56 HA ALA 56 8.147 -7.019 -3.943
433 1HB ALA 56 2HB ALA 56 8.051 -8.324 -1.823
434 2HB ALA 56 1HB ALA 56 9.423 -7.431 -1.187
435 3HB ALA 56 3HB ALA 56 7.885 -6.627 -1.468
436 H LYS 57 H LYS 57 11.346 -6.379 -2.598
437 HA LYS 57 HA LYS 57 11.115 -3.462 -2.822
438 1HB LYS 57 2HB LYS 57 13.836 -4.660 -2.951
439 2HB LYS 57 1HB LYS 57 13.289 -3.346 -1.957
440 1HG LYS 57 2HG LYS 57 12.233 -4.858 -0.318
441 2HG LYS 57 1HG LYS 57 12.664 -6.273 -1.251
442 1HD LYS 57 2HD LYS 57 14.638 -4.272 -0.076
443 2HD LYS 57 1HD LYS 57 14.319 -5.852 0.577
444 1HE LYS 57 2HE LYS 57 15.058 -5.932 -2.290
445 2HE LYS 57 1HE LYS 57 16.293 -5.186 -1.296
446 1HZ LYS 57 2HZ LYS 57 15.173 -7.567 -0.071
447 2HZ LYS 57 1HZ LYS 57 15.745 -7.941 -1.598
448 3HZ LYS 57 3HZ LYS 57 16.797 -7.343 -0.493
449 H SER 58 H SER 58 11.558 -5.683 -5.114
450 HA SER 58 HA SER 58 12.964 -3.842 -7.029
451 1HB SER 58 2HB SER 58 13.738 -6.277 -6.955
452 2HB SER 58 1HB SER 58 12.112 -6.768 -7.448
453 HG SER 58 HG SER 58 12.528 -4.951 -9.165
454 H LEU 59 H LEU 59 10.060 -4.535 -5.836
455 HA LEU 59 HA LEU 59 8.497 -3.956 -8.287
456 1HB LEU 59 2HB LEU 59 7.889 -6.052 -7.184
457 2HB LEU 59 1HB LEU 59 7.745 -5.270 -5.630
458 HG LEU 59 HG LEU 59 5.813 -3.935 -6.425
459 1HD1 LEU 59 3HD1 LEU 59 6.207 -5.462 -9.041
460 2HD1 LEU 59 2HD1 LEU 59 4.868 -4.386 -8.669
461 3HD1 LEU 59 1HD1 LEU 59 6.474 -3.742 -8.809
462 1HD2 LEU 59 1HD2 LEU 59 5.472 -6.311 -5.543
463 2HD2 LEU 59 3HD2 LEU 59 4.255 -5.871 -6.728
464 3HD2 LEU 59 2HD2 LEU 59 5.602 -6.902 -7.184
465 H SER 60 H SER 60 8.880 -3.112 -4.806
466 HA SER 60 HA SER 60 7.574 -0.435 -5.329
467 1HB SER 60 2HB SER 60 7.725 -2.040 -2.827
468 2HB SER 60 1HB SER 60 7.124 -0.372 -2.924
469 HG SER 60 HG SER 60 5.622 -2.356 -3.419
470 H HIS 61 H HIS 61 8.706 1.327 -4.867
471 HA HIS 61 HA HIS 61 10.678 2.117 -3.185
472 1HB HIS 61 2HB HIS 61 12.875 1.712 -4.526
473 2HB HIS 61 1HB HIS 61 12.188 0.225 -3.913
474 HD1 HIS 61 HD1 HIS 61 12.675 -1.313 -5.741
475 HD2 HIS 61 HD2 HIS 61 11.039 2.045 -7.352
476 HE1 HIS 61 HE1 HIS 61 12.368 -1.752 -8.182
477 H LYS 62 H LYS 62 12.189 3.823 -4.067
478 HA LYS 62 HA LYS 62 12.174 5.130 -6.438
479 1HB LYS 62 2HB LYS 62 9.477 5.349 -5.407
480 2HB LYS 62 1HB LYS 62 10.103 6.913 -5.435
481 1HG LYS 62 2HG LYS 62 10.094 5.053 -7.847
482 2HG LYS 62 1HG LYS 62 9.098 6.471 -7.669
483 1HD LYS 62 2HD LYS 62 12.201 6.498 -7.890
484 2HD LYS 62 1HD LYS 62 11.102 6.895 -9.168
485 1HE LYS 62 2HE LYS 62 10.715 9.004 -8.443
486 2HE LYS 62 1HE LYS 62 10.656 8.539 -6.751
487 1HZ LYS 62 1HZ LYS 62 13.285 8.085 -7.563
488 2HZ LYS 62 3HZ LYS 62 12.907 9.662 -8.116
489 3HZ LYS 62 2HZ LYS 62 12.754 9.190 -6.503
490 H GLN 63 H GLN 63 11.721 6.186 -3.111
491 HA GLN 63 HA GLN 63 12.378 8.018 -2.015
492 1HB GLN 63 2HB GLN 63 14.736 7.264 -3.790
493 2HB GLN 63 1HB GLN 63 14.940 8.377 -2.435
494 1HG GLN 63 2HG GLN 63 14.025 6.573 -0.874
495 2HG GLN 63 1HG GLN 63 13.825 5.502 -2.228
496 1HE2 GLN 63 2HE2 GLN 63 17.267 5.411 -0.434
497 2HE2 GLN 63 1HE2 GLN 63 15.854 6.061 0.285
498 H LEU 64 H LEU 64 12.162 10.087 -1.852
499 HA LEU 64 HA LEU 64 11.456 12.265 -2.498
500 1HB LEU 64 2HB LEU 64 14.064 11.761 -3.976
501 2HB LEU 64 1HB LEU 64 13.300 13.325 -4.032
502 HG LEU 64 HG LEU 64 13.391 13.416 -1.495
503 1HD1 LEU 64 1HD1 LEU 64 15.149 10.946 -1.851
504 2HD1 LEU 64 3HD1 LEU 64 14.964 11.862 -0.368
505 3HD1 LEU 64 2HD1 LEU 64 13.612 10.963 -1.000
506 1HD2 LEU 64 2HD2 LEU 64 15.128 14.462 -2.941
507 2HD2 LEU 64 1HD2 LEU 64 15.839 13.844 -1.463
508 3HD2 LEU 64 3HD2 LEU 64 16.023 12.955 -2.963
509 H LEU 65 H LEU 65 9.408 11.518 -3.636
510 HA LEU 65 HA LEU 65 9.528 11.320 -6.574
511 1HB LEU 65 2HB LEU 65 7.843 10.197 -4.755
512 2HB LEU 65 1HB LEU 65 6.966 11.665 -5.085
513 HG LEU 65 HG LEU 65 6.032 10.021 -6.513
514 1HD1 LEU 65 1HD1 LEU 65 6.446 12.197 -7.628
515 2HD1 LEU 65 3HD1 LEU 65 7.987 11.594 -8.222
516 3HD1 LEU 65 2HD1 LEU 65 6.491 10.852 -8.749
517 1HD2 LEU 65 3HD2 LEU 65 7.876 8.394 -6.402
518 2HD2 LEU 65 2HD2 LEU 65 7.363 8.684 -8.051
519 3HD2 LEU 65 1HD2 LEU 65 8.838 9.425 -7.466
520 H MET 66 H MET 66 10.515 13.388 -6.837
521 HA MET 66 HA MET 66 8.703 15.788 -6.724
522 1HB MET 66 2HB MET 66 11.089 15.690 -5.868
523 2HB MET 66 1HB MET 66 11.596 15.472 -7.534
524 1HG MET 66 2HG MET 66 10.677 17.656 -8.166
525 2HG MET 66 1HG MET 66 10.054 17.917 -6.560
526 1HE MET 66 3HE MET 66 11.767 17.730 -4.440
527 2HE MET 66 2HE MET 66 12.930 19.035 -4.491
528 3HE MET 66 1HE MET 66 11.252 19.379 -4.877
529 H SER 67 H SER 67 8.366 13.599 -8.345
530 HA SER 67 HA SER 67 8.515 14.572 -11.203
531 1HB SER 67 2HB SER 67 8.102 11.684 -10.349
532 2HB SER 67 1HB SER 67 8.536 12.306 -11.940
533 HG SER 67 HG SER 67 10.284 13.405 -10.387
534 HA PRO 68 HA PRO 68 3.896 14.972 -10.288
535 1HB PRO 68 2HB PRO 68 3.711 16.639 -12.582
536 2HB PRO 68 1HB PRO 68 3.835 17.203 -10.914
537 1HG PRO 68 2HG PRO 68 6.101 16.671 -12.916
538 2HG PRO 68 1HG PRO 68 5.858 18.125 -11.941
539 1HD PRO 68 2HD PRO 68 7.609 16.375 -11.039
540 2HD PRO 68 1HD PRO 68 6.368 16.868 -9.863
541 H GLY 69 H GLY 69 2.513 13.407 -11.002
542 1HA GLY 69 2HA GLY 69 1.377 12.016 -12.564
543 2HA GLY 69 1HA GLY 69 2.486 12.538 -13.830
544 H GLN 70 H GLN 70 4.642 11.823 -13.533
545 HA GLN 70 HA GLN 70 5.576 9.546 -14.151
546 1HB GLN 70 2HB GLN 70 6.884 11.372 -13.078
547 2HB GLN 70 1HB GLN 70 6.484 10.684 -11.514
548 1HG GLN 70 2HG GLN 70 8.745 9.825 -12.132
549 2HG GLN 70 1HG GLN 70 7.624 8.489 -12.254
550 1HE2 GLN 70 2HE2 GLN 70 9.701 9.362 -15.428
551 2HE2 GLN 70 1HE2 GLN 70 10.111 9.948 -13.874
552 H SER 71 H SER 71 4.354 7.681 -14.039
553 HA SER 71 HA SER 71 4.161 6.328 -11.349
554 1HB SER 71 2HB SER 71 2.027 6.803 -12.506
555 2HB SER 71 1HB SER 71 2.494 5.659 -13.757
556 HG SER 71 HG SER 71 1.359 4.877 -11.865
557 H THR 72 H THR 72 4.033 4.066 -11.348
558 HA THR 72 HA THR 72 6.130 2.689 -13.049
559 HB THR 72 HB THR 72 6.978 2.911 -10.853
560 HG1 THR 72 HG1 THR 72 6.560 0.432 -10.330
561 1HG2 THR 72 2HG2 THR 72 4.572 1.310 -9.844
562 2HG2 THR 72 1HG2 THR 72 5.958 1.839 -8.912
563 3HG2 THR 72 3HG2 THR 72 4.817 3.020 -9.526
564 H SER 73 H SER 73 4.418 2.058 -14.601
565 HA SER 73 HA SER 73 2.337 0.133 -13.808
566 1HB SER 73 2HB SER 73 2.087 -0.144 -16.346
567 2HB SER 73 1HB SER 73 1.992 1.552 -15.856
568 HG SER 73 HG SER 73 4.431 0.238 -16.538
569 H THR 74 H THR 74 3.567 -1.263 -12.661
570 HA THR 74 HA THR 74 5.561 -2.958 -14.148
571 HB THR 74 HB THR 74 5.206 -2.412 -11.173
572 HG1 THR 74 HG1 THR 74 6.593 -0.939 -12.036
573 1HG2 THR 74 1HG2 THR 74 7.347 -4.050 -12.637
574 2HG2 THR 74 3HG2 THR 74 7.261 -3.726 -10.924
575 3HG2 THR 74 2HG2 THR 74 6.114 -4.839 -11.654
576 H THR 75 H THR 75 5.555 -5.084 -14.237
577 HA THR 75 HA THR 75 2.979 -6.526 -13.638
578 HB THR 75 HB THR 75 3.700 -6.526 -16.105
579 HG1 THR 75 HG1 THR 75 3.986 -9.182 -15.354
580 1HG2 THR 75 2HG2 THR 75 5.814 -8.497 -15.071
581 2HG2 THR 75 1HG2 THR 75 5.466 -8.077 -16.740
582 3HG2 THR 75 3HG2 THR 75 6.214 -6.897 -15.675
583 H PHE 76 H PHE 76 3.164 -8.813 -13.486
584 HA PHE 76 HA PHE 76 5.250 -9.661 -11.495
585 1HB PHE 76 2HB PHE 76 2.351 -10.688 -11.706
586 2HB PHE 76 1HB PHE 76 3.414 -10.846 -10.309
587 HD1 PHE 76 HD1 PHE 76 4.511 -8.484 -9.594
588 HD2 PHE 76 HD2 PHE 76 0.757 -8.908 -11.554
589 HE1 PHE 76 HE1 PHE 76 3.857 -6.266 -8.827
590 HE2 PHE 76 HE2 PHE 76 0.105 -6.688 -10.787
591 HZ PHE 76 HZ PHE 76 1.663 -5.349 -9.429
592 HA PRO 77 HA PRO 77 5.458 -13.291 -14.236
593 1HB PRO 77 2HB PRO 77 7.216 -14.798 -12.953
594 2HB PRO 77 1HB PRO 77 7.631 -13.115 -13.224
595 1HG PRO 77 2HG PRO 77 6.441 -14.343 -10.697
596 2HG PRO 77 1HG PRO 77 7.851 -13.315 -10.820
597 1HD PRO 77 2HD PRO 77 5.175 -12.362 -10.343
598 2HD PRO 77 1HD PRO 77 6.533 -11.342 -10.890
599 H ALA 78 H ALA 78 5.668 -15.997 -12.916
600 HA ALA 78 HA ALA 78 2.715 -16.419 -12.455
601 1HB ALA 78 2HB ALA 78 4.901 -18.325 -13.451
602 2HB ALA 78 1HB ALA 78 3.194 -18.734 -13.312
603 3HB ALA 78 3HB ALA 78 3.714 -17.517 -14.469
604 H ASP 79 H ASP 79 5.798 -17.234 -11.401
605 HA ASP 79 HA ASP 79 5.391 -18.923 -9.169
606 1HB ASP 79 2HB ASP 79 7.916 -18.124 -8.861
607 2HB ASP 79 1HB ASP 79 7.522 -18.858 -10.401
608 H ALA 80 H ALA 80 6.762 -15.770 -8.823
609 HA ALA 80 HA ALA 80 6.462 -15.179 -6.194
610 1HB ALA 80 2HB ALA 80 7.595 -13.764 -7.857
611 2HB ALA 80 1HB ALA 80 6.054 -13.282 -8.542
612 3HB ALA 80 3HB ALA 80 6.487 -12.762 -6.920
613 HA PRO 81 HA PRO 81 2.655 -12.826 -6.270
614 1HB PRO 81 2HB PRO 81 1.238 -12.224 -8.467
615 2HB PRO 81 1HB PRO 81 2.985 -11.908 -8.441
616 1HG PRO 81 2HG PRO 81 1.493 -14.330 -9.619
617 2HG PRO 81 1HG PRO 81 2.779 -13.413 -10.388
618 1HD PRO 81 2HD PRO 81 3.090 -15.806 -8.840
619 2HD PRO 81 1HD PRO 81 4.418 -14.724 -9.307
620 H ALA 82 H ALA 82 2.008 -14.845 -5.050
621 HA ALA 82 HA ALA 82 -0.893 -15.495 -5.568
622 1HB ALA 82 3HB ALA 82 0.626 -17.377 -5.931
623 2HB ALA 82 2HB ALA 82 1.300 -17.190 -4.318
624 3HB ALA 82 1HB ALA 82 -0.374 -17.707 -4.524
625 H GLY 83 H GLY 83 -2.026 -14.046 -4.206
626 1HA GLY 83 2HA GLY 83 -3.036 -14.027 -1.912
627 2HA GLY 83 1HA GLY 83 -1.410 -14.211 -1.252
628 H GLU 84 H GLU 84 -1.775 -12.230 -0.012
629 HA GLU 84 HA GLU 84 -1.758 -9.822 -1.742
630 1HB GLU 84 2HB GLU 84 -2.697 -8.640 0.174
631 2HB GLU 84 1HB GLU 84 -3.696 -9.950 -0.418
632 1HG GLU 84 2HG GLU 84 -2.719 -11.425 1.512
633 2HG GLU 84 1HG GLU 84 -2.002 -9.955 2.148
634 H TYR 85 H TYR 85 -0.670 -8.105 -1.331
635 HA TYR 85 HA TYR 85 1.912 -8.355 0.211
636 1HB TYR 85 2HB TYR 85 1.591 -6.520 -2.187
637 2HB TYR 85 1HB TYR 85 3.033 -7.337 -1.579
638 HD1 TYR 85 HD2 TYR 85 1.961 -10.160 -1.363
639 HD2 TYR 85 HD1 TYR 85 1.554 -7.181 -4.362
640 HE1 TYR 85 HE2 TYR 85 1.566 -11.907 -3.080
641 HE2 TYR 85 HE1 TYR 85 1.168 -8.939 -6.041
642 HH TYR 85 HH TYR 85 1.443 -11.149 -6.407
643 H THR 86 H THR 86 1.710 -5.323 -0.950
644 HA THR 86 HA THR 86 0.259 -3.411 0.230
645 HB THR 86 HB THR 86 1.990 -4.349 2.502
646 HG1 THR 86 HG1 THR 86 0.050 -5.085 2.700
647 1HG2 THR 86 2HG2 THR 86 1.802 -1.666 2.183
648 2HG2 THR 86 1HG2 THR 86 0.085 -1.919 2.240
649 3HG2 THR 86 3HG2 THR 86 1.076 -2.326 3.629
650 H PHE 87 H PHE 87 0.973 -1.668 -0.710
651 HA PHE 87 HA PHE 87 3.813 -1.267 -1.252
652 1HB PHE 87 2HB PHE 87 1.467 0.607 -1.888
653 2HB PHE 87 1HB PHE 87 3.059 0.679 -2.601
654 HD1 PHE 87 HD1 PHE 87 3.519 -2.213 -3.266
655 HD2 PHE 87 HD2 PHE 87 0.094 0.258 -3.715
656 HE1 PHE 87 HE1 PHE 87 2.768 -3.599 -5.143
657 HE2 PHE 87 HE2 PHE 87 -0.669 -1.125 -5.582
658 HZ PHE 87 HZ PHE 87 0.669 -3.043 -6.308
659 H TYR 88 H TYR 88 5.083 0.231 -0.285
660 HA TYR 88 HA TYR 88 4.107 1.570 2.107
661 1HB TYR 88 2HB TYR 88 5.910 -0.315 2.066
662 2HB TYR 88 1HB TYR 88 6.960 0.940 1.455
663 HD1 TYR 88 HD2 TYR 88 7.363 3.015 2.766
664 HD2 TYR 88 HD1 TYR 88 5.112 -0.250 4.205
665 HE1 TYR 88 HE2 TYR 88 7.468 3.942 4.926
666 HE2 TYR 88 HE1 TYR 88 5.183 0.609 6.403
667 HH TYR 88 HH TYR 88 7.272 3.240 7.273
668 H CYS 89 H CYS 89 3.518 3.766 1.206
669 HA CYS 89 HA CYS 89 5.510 5.265 -0.318
670 1HB CYS 89 2HB CYS 89 3.005 5.808 -0.111
671 2HB CYS 89 1HB CYS 89 3.425 6.592 1.395
672 H GLU 90 H GLU 90 7.410 5.024 0.624
673 HA GLU 90 HA GLU 90 8.793 5.243 2.765
674 1HB GLU 90 2HB GLU 90 9.106 6.925 0.279
675 2HB GLU 90 1HB GLU 90 10.425 6.765 1.426
676 1HG GLU 90 2HG GLU 90 10.562 4.345 0.788
677 2HG GLU 90 1HG GLU 90 9.065 4.435 -0.120
678 HA PRO 91 HA PRO 91 8.523 9.547 4.525
679 1HB PRO 91 2HB PRO 91 8.630 11.788 3.163
680 2HB PRO 91 1HB PRO 91 9.919 10.595 2.876
681 1HG PRO 91 2HG PRO 91 7.283 10.881 1.270
682 2HG PRO 91 1HG PRO 91 8.916 10.991 0.619
683 1HD PRO 91 2HD PRO 91 7.556 8.573 0.641
684 2HD PRO 91 1HD PRO 91 9.323 8.729 0.857
685 H HIS 92 HN HIP 92 5.974 8.411 3.249
686 HA HIS 92 HA HIP 92 4.111 10.549 4.263
687 1HB HIS 92 2HB HIP 92 3.841 8.759 1.865
688 2HB HIS 92 1HB HIP 92 2.451 9.575 2.570
689 HD2 HIS 92 HD2 HIP 92 4.717 12.397 2.924
690 HE1 HIS 92 HE1 HIP 92 3.657 12.370 -1.111
691 HE2 HIS 92 HE2 HIP 92 4.597 13.672 0.713
692 H ARG 93 H ARG 93 4.536 7.119 4.060
693 HA ARG 93 HA ARG 93 2.411 5.774 4.849
694 1HB ARG 93 2HB ARG 93 5.019 5.261 5.331
695 2HB ARG 93 1HB ARG 93 4.536 5.596 6.984
696 1HG ARG 93 2HG ARG 93 4.019 3.253 6.702
697 2HG ARG 93 1HG ARG 93 2.463 4.034 6.539
698 1HD ARG 93 2HD ARG 93 3.104 4.123 3.915
699 2HD ARG 93 1HD ARG 93 4.243 2.887 4.368
700 HE ARG 93 HE ARG 93 1.247 2.638 4.762
701 1HH1 ARG 93 2HH1 ARG 93 2.662 1.029 6.494
702 2HH1 ARG 93 1HH1 ARG 93 2.899 -0.450 5.579
703 1HH2 ARG 93 1HH2 ARG 93 2.198 1.111 2.686
704 2HH2 ARG 93 2HH2 ARG 93 2.723 -0.394 3.395
705 H GLY 94 H GLY 94 3.615 7.964 7.293
706 1HA GLY 94 2HA GLY 94 2.010 7.551 9.501
707 2HA GLY 94 1HA GLY 94 2.300 9.189 8.932
708 H ALA 95 H ALA 95 0.817 8.852 6.521
709 HA ALA 95 HA ALA 95 -1.956 9.050 7.649
710 1HB ALA 95 2HB ALA 95 -0.733 10.101 5.051
711 2HB ALA 95 1HB ALA 95 -2.376 10.418 5.577
712 3HB ALA 95 3HB ALA 95 -1.023 11.047 6.506
713 H GLY 96 H GLY 96 -0.741 6.553 6.929
714 1HA GLY 96 2HA GLY 96 -2.012 4.506 6.474
715 2HA GLY 96 1HA GLY 96 -2.941 5.376 5.278
716 H MET 97 H MET 97 -1.632 6.119 3.460
717 HA MET 97 HA MET 97 -0.835 5.120 1.358
718 1HB MET 97 2HB MET 97 1.504 5.457 3.227
719 2HB MET 97 1HB MET 97 1.669 5.262 1.507
720 1HG MET 97 2HG MET 97 -0.097 7.493 2.491
721 2HG MET 97 1HG MET 97 1.611 7.693 2.664
722 1HE MET 97 2HE MET 97 -1.411 7.405 0.589
723 2HE MET 97 1HE MET 97 -1.067 9.118 0.323
724 3HE MET 97 3HE MET 97 -1.010 7.959 -1.008
725 H VAL 98 H VAL 98 -1.924 3.070 2.365
726 HA VAL 98 HA VAL 98 -0.103 0.686 2.257
727 HB VAL 98 HB VAL 98 -2.650 1.259 3.768
728 1HG1 VAL 98 3HG1 VAL 98 -1.651 -1.592 3.177
729 2HG1 VAL 98 2HG1 VAL 98 -2.925 -1.150 4.281
730 3HG1 VAL 98 1HG1 VAL 98 -3.151 -0.917 2.568
731 1HG2 VAL 98 2HG2 VAL 98 -0.398 1.406 4.866
732 2HG2 VAL 98 1HG2 VAL 98 -1.354 0.120 5.557
733 3HG2 VAL 98 3HG2 VAL 98 -0.074 -0.261 4.422
734 H GLY 99 H GLY 99 -0.106 -0.267 0.374
735 1HA GLY 99 2HA GLY 99 -2.664 -0.602 -1.259
736 2HA GLY 99 1HA GLY 99 -1.103 -0.358 -2.030
737 H LYS 100 H LYS 100 -3.080 -2.692 -0.263
738 HA LYS 100 HA LYS 100 -0.970 -4.756 -0.649
739 1HB LYS 100 2HB LYS 100 -2.242 -6.159 0.822
740 2HB LYS 100 1HB LYS 100 -2.187 -4.568 1.513
741 1HG LYS 100 2HG LYS 100 -4.477 -4.095 0.965
742 2HG LYS 100 1HG LYS 100 -4.663 -5.502 -0.047
743 1HD LYS 100 2HD LYS 100 -3.780 -6.641 2.395
744 2HD LYS 100 1HD LYS 100 -4.762 -5.311 2.933
745 1HE LYS 100 2HE LYS 100 -6.302 -7.084 2.750
746 2HE LYS 100 1HE LYS 100 -6.558 -6.241 1.216
747 1HZ LYS 100 3HZ LYS 100 -4.383 -8.129 1.194
748 2HZ LYS 100 2HZ LYS 100 -5.729 -8.881 1.592
749 3HZ LYS 100 1HZ LYS 100 -5.644 -8.123 0.077
750 H ILE 101 H ILE 101 -0.980 -4.838 -2.984
751 HA ILE 101 HA ILE 101 -3.233 -5.675 -4.512
752 HB ILE 101 HB ILE 101 -0.443 -6.945 -4.829
753 1HG1 ILE 101 2HG1 ILE 101 -1.514 -4.468 -6.200
754 2HG1 ILE 101 1HG1 ILE 101 -0.078 -4.657 -5.226
755 1HG2 ILE 101 2HG2 ILE 101 -2.796 -6.888 -6.755
756 2HG2 ILE 101 1HG2 ILE 101 -1.246 -7.614 -7.140
757 3HG2 ILE 101 3HG2 ILE 101 -2.233 -8.288 -5.889
758 1HD1 ILE 101 2HD1 ILE 101 0.934 -6.208 -7.002
759 2HD1 ILE 101 1HD1 ILE 101 -0.487 -6.002 -7.991
760 3HD1 ILE 101 3HD1 ILE 101 0.550 -4.650 -7.704
761 H THR 102 H THR 102 -4.427 -7.323 -4.408
762 HA THR 102 HA THR 102 -3.670 -9.751 -2.773
763 HB THR 102 HB THR 102 -6.498 -8.715 -3.409
764 HG1 THR 102 HG1 THR 102 -4.764 -7.608 -1.919
765 1HG2 THR 102 2HG2 THR 102 -5.359 -10.663 -1.309
766 2HG2 THR 102 1HG2 THR 102 -7.046 -10.279 -1.576
767 3HG2 THR 102 3HG2 THR 102 -6.158 -11.199 -2.773
768 H VAL 103 H VAL 103 -2.696 -10.868 -4.557
769 HA VAL 103 HA VAL 103 -4.068 -10.857 -7.135
770 HB VAL 103 HB VAL 103 -1.737 -12.580 -6.220
771 1HG1 VAL 103 2HG1 VAL 103 -2.778 -11.862 -9.004
772 2HG1 VAL 103 1HG1 VAL 103 -1.313 -12.773 -8.658
773 3HG1 VAL 103 3HG1 VAL 103 -2.865 -13.444 -8.234
774 1HG2 VAL 103 1HG2 VAL 103 -1.817 -9.910 -7.665
775 2HG2 VAL 103 3HG2 VAL 103 -1.212 -10.199 -6.043
776 3HG2 VAL 103 2HG2 VAL 103 -0.381 -10.890 -7.417
777 H ALA 104 H ALA 104 -5.332 -12.082 -7.953
778 HA ALA 104 HA ALA 104 -6.457 -14.498 -6.643
779 1HB ALA 104 2HB ALA 104 -7.534 -12.605 -8.787
780 2HB ALA 104 1HB ALA 104 -8.440 -13.936 -8.086
781 3HB ALA 104 3HB ALA 104 -7.971 -12.566 -7.086
782 H GLY 105 HN GLY 105 -4.747 -15.791 -7.313
783 1HA GLY 105 2HA GLY 105 -4.826 -16.844 -10.104
784 2HA GLY 105 1HA GLY 105 -3.274 -16.562 -9.295
No H/Q in entry = 784
Start of MODEL 15
1 1H GLU 1 1H GLU 1 -4.050 -6.363 -13.326
2 2H GLU 1 3H GLU 1 -5.528 -6.983 -12.771
3 3H GLU 1 2H GLU 1 -4.847 -7.591 -14.183
4 HA GLU 1 HA GLU 1 -5.882 -6.044 -15.404
5 1HB GLU 1 2HB GLU 1 -6.990 -5.101 -12.804
6 2HB GLU 1 1HB GLU 1 -7.745 -4.971 -14.383
7 1HG GLU 1 2HG GLU 1 -8.848 -6.921 -13.702
8 2HG GLU 1 1HG GLU 1 -7.417 -7.741 -14.270
9 H THR 2 H THR 2 -4.341 -4.655 -16.263
10 HA THR 2 HA THR 2 -2.834 -2.691 -15.018
11 HB THR 2 HB THR 2 -2.566 -3.559 -17.425
12 HG1 THR 2 HG1 THR 2 -1.834 -1.373 -16.545
13 1HG2 THR 2 3HG2 THR 2 -4.947 -3.224 -18.207
14 2HG2 THR 2 2HG2 THR 2 -4.650 -1.487 -18.140
15 3HG2 THR 2 1HG2 THR 2 -3.699 -2.486 -19.202
16 H TYR 3 H TYR 3 -3.897 -1.851 -13.577
17 HA TYR 3 HA TYR 3 -5.905 0.340 -14.172
18 1HB TYR 3 2HB TYR 3 -5.253 -0.865 -11.442
19 2HB TYR 3 1HB TYR 3 -6.500 0.309 -11.743
20 HD1 TYR 3 HD1 TYR 3 -7.808 -1.102 -14.202
21 HD2 TYR 3 HD2 TYR 3 -6.490 -2.494 -10.403
22 HE1 TYR 3 HE1 TYR 3 -9.501 -2.925 -14.237
23 HE2 TYR 3 HE2 TYR 3 -8.191 -4.293 -10.488
24 HH TYR 3 HH TYR 3 -9.421 -5.493 -11.985
25 H THR 4 H THR 4 -5.434 2.524 -13.417
26 HA THR 4 HA THR 4 -2.636 2.948 -12.477
27 HB THR 4 HB THR 4 -2.957 5.218 -13.520
28 HG1 THR 4 HG1 THR 4 -4.892 4.408 -15.133
29 1HG2 THR 4 2HG2 THR 4 -3.579 2.888 -15.422
30 2HG2 THR 4 1HG2 THR 4 -2.903 4.452 -15.876
31 3HG2 THR 4 3HG2 THR 4 -1.973 3.358 -14.911
32 H VAL 5 H VAL 5 -2.706 3.166 -10.291
33 HA VAL 5 HA VAL 5 -4.940 4.671 -8.998
34 HB VAL 5 HB VAL 5 -4.182 2.745 -7.683
35 1HG1 VAL 5 1HG1 VAL 5 -1.407 3.974 -7.676
36 2HG1 VAL 5 3HG1 VAL 5 -1.887 2.529 -6.812
37 3HG1 VAL 5 2HG1 VAL 5 -1.842 2.507 -8.556
38 1HG2 VAL 5 1HG2 VAL 5 -4.673 4.786 -6.337
39 2HG2 VAL 5 3HG2 VAL 5 -3.427 3.820 -5.587
40 3HG2 VAL 5 2HG2 VAL 5 -2.993 5.283 -6.450
41 H LYS 6 H LYS 6 -4.830 6.666 -8.653
42 HA LYS 6 HA LYS 6 -2.373 8.303 -9.188
43 1HB LYS 6 2HB LYS 6 -5.357 9.044 -9.125
44 2HB LYS 6 1HB LYS 6 -4.069 10.069 -9.717
45 1HG LYS 6 2HG LYS 6 -3.621 8.690 -11.616
46 2HG LYS 6 1HG LYS 6 -4.419 7.288 -10.972
47 1HD LYS 6 2HD LYS 6 -6.623 8.702 -11.100
48 2HD LYS 6 1HD LYS 6 -5.692 9.882 -11.983
49 1HE LYS 6 2HE LYS 6 -6.903 8.455 -13.571
50 2HE LYS 6 1HE LYS 6 -5.172 8.168 -13.733
51 1HZ LYS 6 3HZ LYS 6 -6.016 6.419 -11.713
52 2HZ LYS 6 2HZ LYS 6 -7.185 6.273 -12.917
53 3HZ LYS 6 1HZ LYS 6 -5.575 5.964 -13.221
54 H LEU 7 H LEU 7 -1.763 7.413 -7.168
55 HA LEU 7 HA LEU 7 -2.979 8.166 -4.693
56 1HB LEU 7 2HB LEU 7 -0.958 7.180 -3.707
57 2HB LEU 7 1HB LEU 7 -1.443 6.231 -5.071
58 HG LEU 7 HG LEU 7 0.237 7.900 -6.375
59 1HD1 LEU 7 2HD1 LEU 7 1.410 7.731 -3.588
60 2HD1 LEU 7 1HD1 LEU 7 2.227 8.331 -5.014
61 3HD1 LEU 7 3HD1 LEU 7 0.860 9.202 -4.378
62 1HD2 LEU 7 2HD2 LEU 7 1.114 5.478 -4.767
63 2HD2 LEU 7 1HD2 LEU 7 0.376 5.452 -6.357
64 3HD2 LEU 7 3HD2 LEU 7 1.968 6.151 -6.149
65 H GLY 8 H GLY 8 -2.338 9.496 -3.110
66 1HA GLY 8 2HA GLY 8 -0.808 11.393 -2.290
67 2HA GLY 8 1HA GLY 8 -0.735 11.945 -3.928
68 H SER 9 H SER 9 -3.533 12.025 -4.380
69 HA SER 9 HA SER 9 -5.489 13.119 -3.155
70 1HB SER 9 2HB SER 9 -4.138 14.481 -1.509
71 2HB SER 9 1HB SER 9 -3.401 15.349 -2.843
72 HG SER 9 HG SER 9 -5.141 16.493 -3.027
73 H ASP 10 H ASP 10 -6.721 14.559 -3.947
74 HA ASP 10 HA ASP 10 -6.208 15.791 -6.609
75 1HB ASP 10 2HB ASP 10 -7.867 13.482 -6.035
76 2HB ASP 10 1HB ASP 10 -8.998 14.817 -6.254
77 H LYS 11 H LYS 11 -8.742 15.655 -4.208
78 HA LYS 11 HA LYS 11 -8.695 18.669 -4.061
79 1HB LYS 11 2HB LYS 11 -10.749 17.403 -4.892
80 2HB LYS 11 1HB LYS 11 -10.996 16.834 -3.262
81 1HG LYS 11 2HG LYS 11 -10.586 19.654 -2.949
82 2HG LYS 11 1HG LYS 11 -11.374 19.545 -4.492
83 1HD LYS 11 2HD LYS 11 -13.181 19.786 -2.865
84 2HD LYS 11 1HD LYS 11 -13.232 18.157 -3.483
85 1HE LYS 11 2HE LYS 11 -13.507 18.101 -1.045
86 2HE LYS 11 1HE LYS 11 -11.979 17.341 -1.473
87 1HZ LYS 11 1HZ LYS 11 -11.555 20.117 -1.271
88 2HZ LYS 11 3HZ LYS 11 -12.289 19.623 0.181
89 3HZ LYS 11 2HZ LYS 11 -10.853 18.902 -0.390
90 H GLY 12 H GLY 12 -6.999 16.797 -2.398
91 1HA GLY 12 2HA GLY 12 -6.128 17.715 -0.240
92 2HA GLY 12 1HA GLY 12 -7.759 17.822 0.319
93 H LEU 13 H LEU 13 -6.017 14.909 -0.965
94 HA LEU 13 HA LEU 13 -5.823 13.879 1.788
95 1HB LEU 13 2HB LEU 13 -8.306 13.700 1.172
96 2HB LEU 13 1HB LEU 13 -7.879 12.516 -0.037
97 HG LEU 13 HG LEU 13 -7.040 12.127 2.883
98 1HD1 LEU 13 1HD1 LEU 13 -9.661 11.302 1.542
99 2HD1 LEU 13 3HD1 LEU 13 -9.159 10.858 3.163
100 3HD1 LEU 13 2HD1 LEU 13 -9.504 12.533 2.783
101 1HD2 LEU 13 2HD2 LEU 13 -7.806 10.158 0.657
102 2HD2 LEU 13 1HD2 LEU 13 -6.150 10.508 1.090
103 3HD2 LEU 13 3HD2 LEU 13 -7.200 9.732 2.239
104 H LEU 14 H LEU 14 -4.391 12.102 1.949
105 HA LEU 14 HA LEU 14 -2.840 11.490 -0.458
106 1HB LEU 14 2HB LEU 14 -2.704 10.490 2.421
107 2HB LEU 14 1HB LEU 14 -1.565 9.995 1.200
108 HG LEU 14 HG LEU 14 -1.992 12.937 1.914
109 1HD1 LEU 14 1HD1 LEU 14 -1.109 11.571 3.850
110 2HD1 LEU 14 3HD1 LEU 14 0.154 10.945 2.807
111 3HD1 LEU 14 2HD1 LEU 14 0.115 12.651 3.209
112 1HD2 LEU 14 1HD2 LEU 14 0.277 11.427 0.508
113 2HD2 LEU 14 3HD2 LEU 14 -0.910 12.420 -0.317
114 3HD2 LEU 14 2HD2 LEU 14 0.215 13.155 0.790
115 H VAL 15 H VAL 15 -5.057 10.708 -1.296
116 HA VAL 15 HA VAL 15 -6.168 8.155 -0.854
117 HB VAL 15 HB VAL 15 -5.883 9.834 -3.416
118 1HG1 VAL 15 3HG1 VAL 15 -6.562 7.465 -3.981
119 2HG1 VAL 15 2HG1 VAL 15 -7.882 7.597 -2.837
120 3HG1 VAL 15 1HG1 VAL 15 -7.864 8.594 -4.271
121 1HG2 VAL 15 1HG2 VAL 15 -7.122 10.936 -1.527
122 2HG2 VAL 15 3HG2 VAL 15 -8.206 10.551 -2.853
123 3HG2 VAL 15 2HG2 VAL 15 -8.175 9.532 -1.426
124 H PHE 16 H PHE 16 -5.992 6.196 -1.833
125 HA PHE 16 HA PHE 16 -3.604 5.538 -3.445
126 1HB PHE 16 2HB PHE 16 -3.623 5.277 -0.648
127 2HB PHE 16 1HB PHE 16 -4.078 3.670 -1.171
128 HD1 PHE 16 HD2 PHE 16 -1.567 6.297 -1.570
129 HD2 PHE 16 HD1 PHE 16 -2.488 2.227 -2.181
130 HE1 PHE 16 HE2 PHE 16 0.810 5.863 -2.140
131 HE2 PHE 16 HE1 PHE 16 -0.139 1.761 -2.742
132 HZ PHE 16 HZ PHE 16 1.513 3.588 -2.718
133 H GLU 17 H GLU 17 -6.507 5.505 -3.548
134 HA GLU 17 HA GLU 17 -7.617 3.010 -3.836
135 1HB GLU 17 2HB GLU 17 -8.237 5.766 -4.788
136 2HB GLU 17 1HB GLU 17 -9.257 4.466 -5.372
137 1HG GLU 17 2HG GLU 17 -9.872 5.628 -3.016
138 2HG GLU 17 1HG GLU 17 -10.024 3.893 -3.140
139 HA PRO 18 HA PRO 18 -8.807 1.563 -4.364
140 1HB PRO 18 2HB PRO 18 -9.054 -0.929 -5.174
141 2HB PRO 18 1HB PRO 18 -9.704 0.390 -6.162
142 1HG PRO 18 2HG PRO 18 -6.983 -1.007 -6.443
143 2HG PRO 18 1HG PRO 18 -8.191 -0.802 -7.709
144 1HD PRO 18 2HD PRO 18 -6.049 0.971 -7.339
145 2HD PRO 18 1HD PRO 18 -7.597 1.496 -8.027
146 H ALA 19 H ALA 19 -7.333 1.876 -2.501
147 HA ALA 19 HA ALA 19 -5.067 0.885 -1.639
148 1HB ALA 19 2HB ALA 19 -7.713 0.773 -0.121
149 2HB ALA 19 1HB ALA 19 -6.123 0.761 0.645
150 3HB ALA 19 3HB ALA 19 -6.645 2.145 -0.288
151 H LYS 20 H LYS 20 -7.766 -1.272 -1.755
152 HA LYS 20 HA LYS 20 -6.032 -3.665 -1.155
153 1HB LYS 20 2HB LYS 20 -8.043 -3.251 0.359
154 2HB LYS 20 1HB LYS 20 -9.070 -3.395 -1.057
155 1HG LYS 20 2HG LYS 20 -7.706 -5.734 -1.365
156 2HG LYS 20 1HG LYS 20 -7.435 -5.532 0.352
157 1HD LYS 20 2HD LYS 20 -9.595 -6.224 0.845
158 2HD LYS 20 1HD LYS 20 -10.258 -4.980 -0.181
159 1HE LYS 20 2HE LYS 20 -11.026 -7.123 -1.027
160 2HE LYS 20 1HE LYS 20 -9.906 -6.401 -2.185
161 1HZ LYS 20 1HZ LYS 20 -8.328 -7.800 -0.357
162 2HZ LYS 20 3HZ LYS 20 -9.563 -8.882 -0.812
163 3HZ LYS 20 2HZ LYS 20 -8.593 -8.151 -1.969
164 H LEU 21 H LEU 21 -5.301 -3.359 -3.426
165 HA LEU 21 HA LEU 21 -7.244 -4.034 -5.523
166 1HB LEU 21 2HB LEU 21 -5.543 -2.236 -5.661
167 2HB LEU 21 1HB LEU 21 -4.291 -3.430 -5.597
168 HG LEU 21 HG LEU 21 -5.361 -2.394 -7.953
169 1HD1 LEU 21 2HD1 LEU 21 -3.218 -3.620 -7.591
170 2HD1 LEU 21 1HD1 LEU 21 -4.098 -5.126 -7.506
171 3HD1 LEU 21 3HD1 LEU 21 -4.053 -4.208 -9.000
172 1HD2 LEU 21 2HD2 LEU 21 -7.507 -3.779 -7.715
173 2HD2 LEU 21 1HD2 LEU 21 -6.552 -4.255 -9.093
174 3HD2 LEU 21 3HD2 LEU 21 -6.541 -5.234 -7.671
175 H THR 22 H THR 22 -7.847 -6.019 -5.255
176 HA THR 22 HA THR 22 -5.943 -8.279 -5.216
177 HB THR 22 HB THR 22 -9.038 -8.311 -5.272
178 HG1 THR 22 HG1 THR 22 -6.974 -8.132 -3.380
179 1HG2 THR 22 1HG2 THR 22 -7.034 -10.454 -4.350
180 2HG2 THR 22 3HG2 THR 22 -8.776 -10.593 -4.361
181 3HG2 THR 22 2HG2 THR 22 -7.884 -10.559 -5.868
182 H ILE 23 H ILE 23 -5.044 -7.767 -7.195
183 HA ILE 23 HA ILE 23 -6.503 -8.185 -9.668
184 HB ILE 23 HB ILE 23 -4.083 -8.067 -10.724
185 1HG1 ILE 23 2HG1 ILE 23 -3.337 -6.912 -8.069
186 2HG1 ILE 23 1HG1 ILE 23 -3.281 -8.631 -8.223
187 1HG2 ILE 23 1HG2 ILE 23 -5.765 -6.253 -10.737
188 2HG2 ILE 23 3HG2 ILE 23 -5.244 -5.856 -9.131
189 3HG2 ILE 23 2HG2 ILE 23 -4.139 -5.646 -10.480
190 1HD1 ILE 23 1HD1 ILE 23 -1.772 -6.726 -10.071
191 2HD1 ILE 23 3HD1 ILE 23 -1.086 -7.702 -8.791
192 3HD1 ILE 23 2HD1 ILE 23 -1.784 -8.480 -10.192
193 H LYS 24 H LYS 24 -5.141 -9.457 -11.378
194 HA LYS 24 HA LYS 24 -4.781 -12.131 -10.266
195 1HB LYS 24 2HB LYS 24 -5.189 -11.483 -13.271
196 2HB LYS 24 1HB LYS 24 -5.613 -12.989 -12.499
197 1HG LYS 24 2HG LYS 24 -7.180 -10.401 -12.507
198 2HG LYS 24 1HG LYS 24 -7.675 -11.989 -12.941
199 1HD LYS 24 2HD LYS 24 -7.837 -12.797 -10.741
200 2HD LYS 24 1HD LYS 24 -6.891 -11.526 -10.050
201 1HE LYS 24 2HE LYS 24 -9.666 -11.092 -11.175
202 2HE LYS 24 1HE LYS 24 -9.276 -11.279 -9.460
203 1HZ LYS 24 1HZ LYS 24 -7.521 -9.391 -10.721
204 2HZ LYS 24 3HZ LYS 24 -9.040 -8.856 -10.938
205 3HZ LYS 24 2HZ LYS 24 -8.488 -9.142 -9.382
206 HA PRO 25 HA PRO 25 -0.751 -12.418 -10.643
207 1HB PRO 25 2HB PRO 25 0.020 -14.775 -11.609
208 2HB PRO 25 1HB PRO 25 -1.246 -14.701 -10.384
209 1HG PRO 25 2HG PRO 25 -1.588 -14.760 -13.437
210 2HG PRO 25 1HG PRO 25 -2.263 -15.904 -12.271
211 1HD PRO 25 2HD PRO 25 -3.723 -13.754 -13.150
212 2HD PRO 25 1HD PRO 25 -3.864 -14.311 -11.457
213 H GLY 26 H GLY 26 -0.296 -10.479 -11.946
214 1HA GLY 26 2HA GLY 26 1.928 -9.922 -13.128
215 2HA GLY 26 1HA GLY 26 1.585 -11.203 -14.234
216 H ASP 27 H ASP 27 -0.669 -8.780 -13.255
217 HA ASP 27 HA ASP 27 -0.785 -7.852 -16.092
218 1HB ASP 27 2HB ASP 27 -2.766 -8.875 -14.880
219 2HB ASP 27 1HB ASP 27 -2.725 -7.501 -13.784
220 H THR 28 H THR 28 -0.611 -5.772 -16.607
221 HA THR 28 HA THR 28 1.256 -4.083 -15.332
222 HB THR 28 HB THR 28 -0.693 -3.114 -17.369
223 HG1 THR 28 HG1 THR 28 1.163 -5.205 -17.380
224 1HG2 THR 28 1HG2 THR 28 2.331 -2.743 -16.942
225 2HG2 THR 28 3HG2 THR 28 1.348 -1.983 -18.179
226 3HG2 THR 28 2HG2 THR 28 1.152 -1.511 -16.501
227 H VAL 29 H VAL 29 -0.251 -4.103 -13.209
228 HA VAL 29 HA VAL 29 -1.951 -1.760 -12.973
229 HB VAL 29 HB VAL 29 -0.470 -3.139 -10.695
230 1HG1 VAL 29 1HG1 VAL 29 -3.107 -1.590 -10.807
231 2HG1 VAL 29 3HG1 VAL 29 -2.431 -2.323 -9.363
232 3HG1 VAL 29 2HG1 VAL 29 -1.608 -0.984 -10.134
233 1HG2 VAL 29 1HG2 VAL 29 -1.778 -4.814 -12.047
234 2HG2 VAL 29 3HG2 VAL 29 -2.455 -4.561 -10.454
235 3HG2 VAL 29 2HG2 VAL 29 -3.219 -3.817 -11.855
236 H GLU 30 H GLU 30 -1.387 0.303 -12.537
237 HA GLU 30 HA GLU 30 1.433 0.994 -12.149
238 1HB GLU 30 2HB GLU 30 0.708 1.559 -14.295
239 2HB GLU 30 1HB GLU 30 -0.737 2.306 -13.675
240 1HG GLU 30 2HG GLU 30 0.579 4.125 -12.591
241 2HG GLU 30 1HG GLU 30 2.084 3.329 -13.033
242 H PHE 31 H PHE 31 2.074 2.398 -10.740
243 HA PHE 31 HA PHE 31 0.160 3.656 -8.796
244 1HB PHE 31 2HB PHE 31 3.093 3.275 -8.153
245 2HB PHE 31 1HB PHE 31 1.731 3.341 -7.072
246 HD1 PHE 31 HD2 PHE 31 0.090 1.136 -8.790
247 HD2 PHE 31 HD1 PHE 31 3.972 1.362 -7.071
248 HE1 PHE 31 HE2 PHE 31 0.169 -1.302 -8.639
249 HE2 PHE 31 HE1 PHE 31 4.046 -1.071 -6.905
250 HZ PHE 31 HZ PHE 31 2.147 -2.404 -7.685
251 H LEU 32 H LEU 32 -0.127 5.817 -9.699
252 HA LEU 32 HA LEU 32 2.351 7.315 -10.226
253 1HB LEU 32 2HB LEU 32 1.277 8.415 -11.962
254 2HB LEU 32 1HB LEU 32 0.809 6.734 -12.067
255 HG LEU 32 HG LEU 32 -1.343 7.459 -10.791
256 1HD1 LEU 32 3HD1 LEU 32 -0.497 9.850 -10.393
257 2HD1 LEU 32 2HD1 LEU 32 -0.378 10.051 -12.119
258 3HD1 LEU 32 1HD1 LEU 32 -1.941 9.857 -11.367
259 1HD2 LEU 32 2HD2 LEU 32 -1.124 6.647 -13.165
260 2HD2 LEU 32 1HD2 LEU 32 -2.310 7.938 -13.082
261 3HD2 LEU 32 3HD2 LEU 32 -0.693 8.258 -13.669
262 H ASN 33 H ASN 33 2.732 9.260 -9.352
263 HA ASN 33 HA ASN 33 1.163 10.032 -6.967
264 1HB ASN 33 2HB ASN 33 2.970 11.708 -6.617
265 2HB ASN 33 1HB ASN 33 3.610 10.111 -6.918
266 1HD2 ASN 33 2HD2 ASN 33 4.368 12.192 -10.151
267 2HD2 ASN 33 1HD2 ASN 33 2.796 11.547 -9.923
268 H ASN 34 H ASN 34 -0.693 10.392 -8.152
269 HA ASN 34 HA ASN 34 -2.000 11.785 -9.813
270 1HB ASN 34 2HB ASN 34 -2.595 11.351 -7.245
271 2HB ASN 34 1HB ASN 34 -2.342 13.070 -7.072
272 1HD2 ASN 34 2HD2 ASN 34 -5.848 12.141 -8.160
273 2HD2 ASN 34 1HD2 ASN 34 -4.815 11.162 -7.210
274 H LYS 35 H LYS 35 -0.403 13.915 -7.594
275 HA LYS 35 HA LYS 35 0.890 15.691 -9.355
276 1HB LYS 35 2HB LYS 35 -0.717 17.684 -9.324
277 2HB LYS 35 1HB LYS 35 -1.237 16.354 -10.317
278 1HG LYS 35 2HG LYS 35 -2.312 15.855 -7.673
279 2HG LYS 35 1HG LYS 35 -2.538 17.567 -7.978
280 1HD LYS 35 2HD LYS 35 -3.688 17.099 -10.121
281 2HD LYS 35 1HD LYS 35 -3.272 15.398 -10.015
282 1HE LYS 35 2HE LYS 35 -4.603 15.367 -7.828
283 2HE LYS 35 1HE LYS 35 -5.264 16.926 -8.314
284 1HZ LYS 35 3HZ LYS 35 -5.318 15.114 -10.533
285 2HZ LYS 35 2HZ LYS 35 -5.929 14.370 -9.198
286 3HZ LYS 35 1HZ LYS 35 -6.677 15.743 -9.667
287 H VAL 36 H VAL 36 0.760 14.641 -6.664
288 HA VAL 36 HA VAL 36 1.900 16.949 -5.165
289 HB VAL 36 HB VAL 36 0.661 16.055 -3.074
290 1HG1 VAL 36 1HG1 VAL 36 -0.009 18.157 -4.296
291 2HG1 VAL 36 3HG1 VAL 36 -1.000 17.210 -5.383
292 3HG1 VAL 36 2HG1 VAL 36 -1.410 17.308 -3.679
293 1HG2 VAL 36 2HG2 VAL 36 -0.090 13.902 -4.104
294 2HG2 VAL 36 1HG2 VAL 36 -1.432 14.872 -3.535
295 3HG2 VAL 36 3HG2 VAL 36 -1.089 14.792 -5.250
296 HA PRO 37 HA PRO 37 4.653 13.466 -4.198
297 1HB PRO 37 2HB PRO 37 6.976 14.621 -4.676
298 2HB PRO 37 1HB PRO 37 5.783 14.512 -5.980
299 1HG PRO 37 2HG PRO 37 6.403 16.885 -4.136
300 2HG PRO 37 1HG PRO 37 6.193 16.902 -5.884
301 1HD PRO 37 2HD PRO 37 4.118 17.396 -3.916
302 2HD PRO 37 1HD PRO 37 3.875 17.132 -5.665
303 HA PRO 38 HA PRO 38 6.458 12.559 -3.806
304 1HB PRO 38 2HB PRO 38 8.907 11.850 -2.918
305 2HB PRO 38 1HB PRO 38 8.629 13.306 -3.845
306 1HG PRO 38 2HG PRO 38 9.272 13.115 -0.915
307 2HG PRO 38 1HG PRO 38 9.230 14.578 -1.894
308 1HD PRO 38 2HD PRO 38 7.031 13.426 -0.159
309 2HD PRO 38 1HD PRO 38 7.232 15.106 -0.705
310 H HIS 39 HN HIP 39 6.563 10.455 -3.987
311 HA HIS 39 HA HIP 39 5.947 8.835 -1.544
312 1HB HIS 39 2HB HIP 39 4.835 8.352 -4.262
313 2HB HIS 39 1HB HIP 39 4.350 7.564 -2.789
314 HD2 HIS 39 HD2 HIP 39 3.924 10.720 -4.823
315 HE1 HIS 39 HE1 HIP 39 1.684 11.450 -1.407
316 HE2 HIS 39 HE2 HIP 39 2.278 12.194 -3.674
317 H ASN 40 H ASN 40 7.095 7.248 -0.945
318 HA ASN 40 HA ASN 40 8.891 5.653 -2.735
319 1HB ASN 40 2HB ASN 40 10.093 6.891 -1.012
320 2HB ASN 40 1HB ASN 40 9.026 6.315 0.232
321 1HD2 ASN 40 2HD2 ASN 40 11.074 3.508 0.706
322 2HD2 ASN 40 1HD2 ASN 40 9.991 4.586 1.431
323 H VAL 41 H VAL 41 7.158 3.996 -3.288
324 HA VAL 41 HA VAL 41 5.783 2.890 -0.891
325 HB VAL 41 HB VAL 41 4.196 2.051 -2.169
326 1HG1 VAL 41 2HG1 VAL 41 5.002 4.652 -3.584
327 2HG1 VAL 41 1HG1 VAL 41 3.411 3.953 -3.739
328 3HG1 VAL 41 3HG1 VAL 41 3.966 4.523 -2.173
329 1HG2 VAL 41 3HG2 VAL 41 5.954 2.239 -4.585
330 2HG2 VAL 41 2HG2 VAL 41 5.166 0.837 -3.904
331 3HG2 VAL 41 1HG2 VAL 41 4.221 2.007 -4.771
332 H VAL 42 H VAL 42 6.486 1.297 0.048
333 HA VAL 42 HA VAL 42 8.181 -0.681 -1.421
334 HB VAL 42 HB VAL 42 8.162 -0.093 1.549
335 1HG1 VAL 42 1HG1 VAL 42 10.203 -1.465 -0.239
336 2HG1 VAL 42 3HG1 VAL 42 10.374 -1.138 1.479
337 3HG1 VAL 42 2HG1 VAL 42 9.154 -2.271 0.936
338 1HG2 VAL 42 3HG2 VAL 42 9.982 1.040 -0.647
339 2HG2 VAL 42 2HG2 VAL 42 8.827 1.962 0.288
340 3HG2 VAL 42 1HG2 VAL 42 10.216 1.267 1.083
341 H PHE 43 H PHE 43 7.985 -2.723 -1.232
342 HA PHE 43 HA PHE 43 5.469 -3.955 -0.321
343 1HB PHE 43 2HB PHE 43 7.515 -4.408 -2.384
344 2HB PHE 43 1HB PHE 43 7.070 -5.869 -1.559
345 HD1 PHE 43 HD2 PHE 43 3.969 -4.707 -1.381
346 HD2 PHE 43 HD1 PHE 43 6.881 -5.533 -4.369
347 HE1 PHE 43 HE2 PHE 43 2.214 -5.042 -3.003
348 HE2 PHE 43 HE1 PHE 43 5.125 -5.874 -6.003
349 HZ PHE 43 HZ PHE 43 2.750 -5.640 -5.329
350 H ASP 44 H ASP 44 5.739 -4.234 1.791
351 HA ASP 44 HA ASP 44 7.803 -4.382 3.468
352 1HB ASP 44 2HB ASP 44 5.155 -4.773 3.756
353 2HB ASP 44 1HB ASP 44 5.639 -6.451 3.897
354 H ALA 45 H ALA 45 8.205 -6.196 5.036
355 HA ALA 45 HA ALA 45 9.920 -8.214 3.764
356 1HB ALA 45 3HB ALA 45 11.096 -6.451 5.063
357 2HB ALA 45 2HB ALA 45 10.113 -6.818 6.472
358 3HB ALA 45 1HB ALA 45 11.294 -7.992 5.896
359 H ALA 46 H ALA 46 7.545 -7.735 6.191
360 HA ALA 46 HA ALA 46 7.344 -10.651 6.805
361 1HB ALA 46 3HB ALA 46 6.502 -8.167 8.358
362 2HB ALA 46 2HB ALA 46 6.278 -9.813 8.937
363 3HB ALA 46 1HB ALA 46 7.900 -9.170 8.703
364 H LEU 47 H LEU 47 5.422 -7.816 5.987
365 HA LEU 47 HA LEU 47 2.907 -9.370 5.694
366 1HB LEU 47 2HB LEU 47 3.672 -6.445 5.321
367 2HB LEU 47 1HB LEU 47 2.066 -7.028 4.944
368 HG LEU 47 HG LEU 47 1.788 -7.723 7.350
369 1HD1 LEU 47 1HD1 LEU 47 4.443 -6.245 7.676
370 2HD1 LEU 47 3HD1 LEU 47 3.427 -6.795 8.996
371 3HD1 LEU 47 2HD1 LEU 47 4.209 -7.959 7.956
372 1HD2 LEU 47 2HD2 LEU 47 1.058 -5.467 6.505
373 2HD2 LEU 47 1HD2 LEU 47 1.611 -5.359 8.173
374 3HD2 LEU 47 3HD2 LEU 47 2.657 -4.838 6.865
375 H ASN 48 H ASN 48 4.595 -10.446 4.159
376 HA ASN 48 HA ASN 48 3.653 -9.978 1.376
377 1HB ASN 48 2HB ASN 48 6.229 -10.360 0.707
378 2HB ASN 48 1HB ASN 48 5.700 -8.782 1.291
379 1HD2 ASN 48 2HD2 ASN 48 8.213 -10.833 3.569
380 2HD2 ASN 48 1HD2 ASN 48 7.620 -11.581 2.148
381 HA PRO 49 HA PRO 49 1.672 -12.699 2.614
382 1HB PRO 49 2HB PRO 49 1.195 -14.888 0.867
383 2HB PRO 49 1HB PRO 49 0.480 -13.299 0.706
384 1HG PRO 49 2HG PRO 49 3.063 -14.304 -0.617
385 2HG PRO 49 1HG PRO 49 1.704 -13.498 -1.388
386 1HD PRO 49 2HD PRO 49 3.800 -12.017 -0.743
387 2HD PRO 49 1HD PRO 49 2.208 -11.386 -0.267
388 H ALA 50 H ALA 50 3.743 -15.060 1.171
389 HA ALA 50 HA ALA 50 3.875 -16.695 3.653
390 1HB ALA 50 2HB ALA 50 3.514 -17.760 1.374
391 2HB ALA 50 1HB ALA 50 5.045 -17.081 0.836
392 3HB ALA 50 3HB ALA 50 5.028 -18.311 2.083
393 H LYS 51 H LYS 51 4.762 -14.595 4.391
394 HA LYS 51 HA LYS 51 6.579 -13.065 4.868
395 1HB LYS 51 2HB LYS 51 7.308 -15.828 5.912
396 2HB LYS 51 1HB LYS 51 8.000 -14.337 6.527
397 1HG LYS 51 2HG LYS 51 5.696 -13.499 7.090
398 2HG LYS 51 1HG LYS 51 5.003 -14.990 6.482
399 1HD LYS 51 2HD LYS 51 6.302 -16.305 8.175
400 2HD LYS 51 1HD LYS 51 6.995 -14.813 8.802
401 1HE LYS 51 2HE LYS 51 4.716 -13.989 9.365
402 2HE LYS 51 1HE LYS 51 4.021 -15.483 8.737
403 1HZ LYS 51 3HZ LYS 51 6.134 -16.167 10.504
404 2HZ LYS 51 2HZ LYS 51 5.154 -15.059 11.321
405 3HZ LYS 51 1HZ LYS 51 4.490 -16.495 10.717
406 H SER 52 H SER 52 6.908 -13.536 2.377
407 HA SER 52 HA SER 52 9.596 -14.520 1.622
408 1HB SER 52 2HB SER 52 7.586 -12.982 -0.094
409 2HB SER 52 1HB SER 52 8.912 -13.998 -0.669
410 HG SER 52 HG SER 52 7.441 -15.423 1.128
411 H ALA 53 H ALA 53 10.284 -12.946 3.335
412 HA ALA 53 HA ALA 53 10.484 -10.190 3.091
413 1HB ALA 53 3HB ALA 53 12.581 -12.211 4.041
414 2HB ALA 53 2HB ALA 53 12.605 -10.511 4.475
415 3HB ALA 53 1HB ALA 53 11.286 -11.538 5.021
416 H ASP 54 H ASP 54 11.889 -8.796 2.443
417 HA ASP 54 HA ASP 54 13.170 -7.521 1.029
418 1HB ASP 54 2HB ASP 54 14.975 -9.249 1.718
419 2HB ASP 54 1HB ASP 54 14.623 -10.105 0.215
420 H LEU 55 H LEU 55 12.666 -10.530 -0.646
421 HA LEU 55 HA LEU 55 12.531 -9.973 -3.334
422 1HB LEU 55 2HB LEU 55 11.848 -12.180 -2.502
423 2HB LEU 55 1HB LEU 55 10.464 -11.530 -1.682
424 HG LEU 55 HG LEU 55 10.014 -12.867 -3.871
425 1HD1 LEU 55 3HD1 LEU 55 8.252 -11.305 -2.936
426 2HD1 LEU 55 2HD1 LEU 55 8.892 -10.006 -3.925
427 3HD1 LEU 55 1HD1 LEU 55 8.222 -11.416 -4.678
428 1HD2 LEU 55 2HD2 LEU 55 11.820 -11.825 -5.242
429 2HD2 LEU 55 1HD2 LEU 55 10.247 -11.613 -5.984
430 3HD2 LEU 55 3HD2 LEU 55 11.001 -10.275 -5.152
431 H ALA 56 H ALA 56 9.794 -9.576 -1.307
432 HA ALA 56 HA ALA 56 8.091 -8.048 -2.946
433 1HB ALA 56 1HB ALA 56 7.551 -9.200 -0.784
434 2HB ALA 56 3HB ALA 56 8.532 -8.048 0.092
435 3HB ALA 56 2HB ALA 56 7.029 -7.544 -0.634
436 H LYS 57 H LYS 57 10.190 -6.625 -0.448
437 HA LYS 57 HA LYS 57 9.861 -3.960 -1.407
438 1HB LYS 57 2HB LYS 57 10.754 -4.340 0.876
439 2HB LYS 57 1HB LYS 57 11.876 -5.548 0.336
440 1HG LYS 57 2HG LYS 57 12.544 -2.801 -0.668
441 2HG LYS 57 1HG LYS 57 12.508 -2.927 1.068
442 1HD LYS 57 2HD LYS 57 14.811 -3.473 0.385
443 2HD LYS 57 1HD LYS 57 14.074 -4.942 0.973
444 1HE LYS 57 2HE LYS 57 13.702 -5.761 -1.246
445 2HE LYS 57 1HE LYS 57 14.255 -4.257 -1.976
446 1HZ LYS 57 1HZ LYS 57 16.157 -5.444 -0.084
447 2HZ LYS 57 3HZ LYS 57 15.724 -6.453 -1.233
448 3HZ LYS 57 2HZ LYS 57 16.423 -5.064 -1.758
449 H SER 58 H SER 58 12.028 -6.281 -2.511
450 HA SER 58 HA SER 58 13.667 -4.470 -4.143
451 1HB SER 58 2HB SER 58 13.126 -7.493 -4.252
452 2HB SER 58 1HB SER 58 14.242 -6.683 -5.373
453 HG SER 58 HG SER 58 14.812 -7.351 -2.869
454 H LEU 59 H LEU 59 10.910 -6.504 -4.611
455 HA LEU 59 HA LEU 59 10.167 -5.908 -7.253
456 1HB LEU 59 2HB LEU 59 9.538 -7.919 -6.000
457 2HB LEU 59 1HB LEU 59 8.551 -6.985 -4.918
458 HG LEU 59 HG LEU 59 7.119 -6.272 -6.885
459 1HD1 LEU 59 1HD1 LEU 59 8.792 -8.383 -8.318
460 2HD1 LEU 59 3HD1 LEU 59 7.362 -7.585 -8.964
461 3HD1 LEU 59 2HD1 LEU 59 8.811 -6.660 -8.666
462 1HD2 LEU 59 3HD2 LEU 59 7.473 -9.276 -6.426
463 2HD2 LEU 59 2HD2 LEU 59 6.519 -8.208 -5.415
464 3HD2 LEU 59 1HD2 LEU 59 6.028 -8.514 -7.067
465 H SER 60 H SER 60 8.748 -4.259 -4.211
466 HA SER 60 HA SER 60 6.983 -2.725 -6.077
467 1HB SER 60 2HB SER 60 6.345 -2.986 -3.659
468 2HB SER 60 1HB SER 60 7.722 -1.947 -3.221
469 HG SER 60 HG SER 60 6.564 -0.332 -3.896
470 H HIS 61 H HIS 61 7.315 0.027 -5.564
471 HA HIS 61 HA HIS 61 10.043 0.353 -6.794
472 1HB HIS 61 2HB HIS 61 9.286 2.368 -7.749
473 2HB HIS 61 1HB HIS 61 7.957 1.275 -7.815
474 HD1 HIS 61 HD1 HIS 61 8.875 4.035 -5.389
475 HD2 HIS 61 HD2 HIS 61 5.661 2.533 -7.370
476 HE1 HIS 61 HE1 HIS 61 6.961 5.479 -4.820
477 H LYS 62 H LYS 62 10.915 2.729 -6.197
478 HA LYS 62 HA LYS 62 11.287 2.778 -3.199
479 1HB LYS 62 2HB LYS 62 13.203 3.049 -5.501
480 2HB LYS 62 1HB LYS 62 13.536 3.871 -4.016
481 1HG LYS 62 2HG LYS 62 14.718 1.617 -4.058
482 2HG LYS 62 1HG LYS 62 13.737 1.932 -2.666
483 1HD LYS 62 2HD LYS 62 13.449 -0.399 -3.234
484 2HD LYS 62 1HD LYS 62 11.940 0.399 -3.518
485 1HE LYS 62 2HE LYS 62 12.317 0.350 -5.937
486 2HE LYS 62 1HE LYS 62 13.944 -0.272 -5.702
487 1HZ LYS 62 3HZ LYS 62 12.119 -2.002 -4.278
488 2HZ LYS 62 2HZ LYS 62 11.500 -1.762 -5.754
489 3HZ LYS 62 1HZ LYS 62 12.981 -2.414 -5.659
490 H GLN 63 H GLN 63 12.728 5.173 -2.990
491 HA GLN 63 HA GLN 63 10.514 6.914 -3.283
492 1HB GLN 63 2HB GLN 63 12.127 7.095 -1.339
493 2HB GLN 63 1HB GLN 63 13.396 7.533 -2.457
494 1HG GLN 63 2HG GLN 63 12.077 9.510 -1.177
495 2HG GLN 63 1HG GLN 63 12.559 9.732 -2.842
496 1HE2 GLN 63 2HE2 GLN 63 9.276 10.138 -3.885
497 2HE2 GLN 63 1HE2 GLN 63 10.947 10.269 -4.245
498 H LEU 64 H LEU 64 10.144 6.853 -5.436
499 HA LEU 64 HA LEU 64 11.738 8.812 -7.069
500 1HB LEU 64 2HB LEU 64 11.496 7.414 -8.934
501 2HB LEU 64 1HB LEU 64 11.831 6.326 -7.612
502 HG LEU 64 HG LEU 64 9.037 6.492 -7.488
503 1HD1 LEU 64 1HD1 LEU 64 9.930 6.571 -10.402
504 2HD1 LEU 64 3HD1 LEU 64 8.295 6.294 -9.843
505 3HD1 LEU 64 2HD1 LEU 64 9.058 7.853 -9.594
506 1HD2 LEU 64 3HD2 LEU 64 10.683 4.587 -9.123
507 2HD2 LEU 64 2HD2 LEU 64 10.383 4.488 -7.380
508 3HD2 LEU 64 1HD2 LEU 64 9.040 4.349 -8.522
509 H LEU 65 H LEU 65 8.404 8.183 -5.982
510 HA LEU 65 HA LEU 65 7.262 9.777 -8.170
511 1HB LEU 65 2HB LEU 65 6.370 8.305 -5.721
512 2HB LEU 65 1HB LEU 65 5.392 9.696 -6.127
513 HG LEU 65 HG LEU 65 5.025 8.729 -8.430
514 1HD1 LEU 65 3HD1 LEU 65 6.661 6.400 -7.344
515 2HD1 LEU 65 2HD1 LEU 65 5.833 6.447 -8.890
516 3HD1 LEU 65 1HD1 LEU 65 7.157 7.538 -8.579
517 1HD2 LEU 65 2HD2 LEU 65 4.551 6.702 -6.197
518 2HD2 LEU 65 1HD2 LEU 65 3.473 8.038 -6.588
519 3HD2 LEU 65 3HD2 LEU 65 3.721 6.748 -7.740
520 H MET 66 H MET 66 8.736 11.472 -8.007
521 HA MET 66 HA MET 66 8.318 13.422 -5.770
522 1HB MET 66 2HB MET 66 10.659 13.156 -7.705
523 2HB MET 66 1HB MET 66 10.556 14.339 -6.422
524 1HG MET 66 2HG MET 66 10.359 12.474 -4.762
525 2HG MET 66 1HG MET 66 10.552 11.322 -6.053
526 1HE MET 66 2HE MET 66 12.307 11.109 -7.498
527 2HE MET 66 1HE MET 66 13.940 11.700 -7.335
528 3HE MET 66 3HE MET 66 13.415 10.295 -6.391
529 H SER 67 H SER 67 7.978 13.273 -9.184
530 HA SER 67 HA SER 67 7.319 16.216 -9.211
531 1HB SER 67 2HB SER 67 9.111 15.614 -10.767
532 2HB SER 67 1HB SER 67 8.053 14.450 -11.576
533 HG SER 67 HG SER 67 7.068 16.145 -12.531
534 HA PRO 68 HA PRO 68 3.107 15.245 -9.260
535 1HB PRO 68 2HB PRO 68 2.086 17.253 -10.964
536 2HB PRO 68 1HB PRO 68 2.512 17.509 -9.267
537 1HG PRO 68 2HG PRO 68 4.308 17.889 -11.731
538 2HG PRO 68 1HG PRO 68 3.979 19.070 -10.454
539 1HD PRO 68 2HD PRO 68 6.205 17.663 -10.261
540 2HD PRO 68 1HD PRO 68 5.188 17.686 -8.798
541 H GLY 69 H GLY 69 1.935 13.683 -10.157
542 1HA GLY 69 2HA GLY 69 0.780 12.581 -11.980
543 2HA GLY 69 1HA GLY 69 1.801 13.407 -13.129
544 H GLN 70 H GLN 70 4.240 12.723 -12.421
545 HA GLN 70 HA GLN 70 5.027 10.495 -13.696
546 1HB GLN 70 2HB GLN 70 6.087 11.272 -10.949
547 2HB GLN 70 1HB GLN 70 6.963 10.309 -12.125
548 1HG GLN 70 2HG GLN 70 6.205 13.291 -12.371
549 2HG GLN 70 1HG GLN 70 7.784 12.551 -12.504
550 1HE2 GLN 70 2HE2 GLN 70 5.713 13.143 -15.770
551 2HE2 GLN 70 1HE2 GLN 70 5.181 13.774 -14.272
552 H SER 71 H SER 71 4.802 8.435 -13.839
553 HA SER 71 HA SER 71 3.621 6.900 -11.594
554 1HB SER 71 2HB SER 71 2.459 5.597 -13.216
555 2HB SER 71 1HB SER 71 2.191 7.313 -13.544
556 HG SER 71 HG SER 71 3.220 5.618 -15.187
557 H THR 72 H THR 72 3.789 4.860 -11.314
558 HA THR 72 HA THR 72 6.330 3.423 -12.071
559 HB THR 72 HB THR 72 4.662 3.158 -9.533
560 HG1 THR 72 HG1 THR 72 6.450 4.114 -8.740
561 1HG2 THR 72 1HG2 THR 72 5.629 0.888 -10.417
562 2HG2 THR 72 3HG2 THR 72 7.198 1.679 -10.431
563 3HG2 THR 72 2HG2 THR 72 6.338 1.425 -8.925
564 H SER 73 H SER 73 5.287 2.354 -14.021
565 HA SER 73 HA SER 73 2.829 0.770 -13.517
566 1HB SER 73 2HB SER 73 3.692 0.367 -16.215
567 2HB SER 73 1HB SER 73 2.392 1.428 -15.663
568 HG SER 73 HG SER 73 3.634 3.073 -15.761
569 H THR 74 H THR 74 2.970 -1.189 -12.718
570 HA THR 74 HA THR 74 5.196 -2.994 -13.607
571 HB THR 74 HB THR 74 5.611 -2.751 -11.289
572 HG1 THR 74 HG1 THR 74 3.871 -4.741 -10.755
573 1HG2 THR 74 2HG2 THR 74 2.610 -3.105 -10.868
574 2HG2 THR 74 1HG2 THR 74 3.817 -2.911 -9.597
575 3HG2 THR 74 3HG2 THR 74 3.451 -1.589 -10.687
576 H THR 75 H THR 75 4.798 -4.857 -14.419
577 HA THR 75 HA THR 75 1.960 -5.877 -14.457
578 HB THR 75 HB THR 75 3.146 -5.143 -16.682
579 HG1 THR 75 HG1 THR 75 1.966 -7.736 -16.363
580 1HG2 THR 75 2HG2 THR 75 5.146 -6.831 -16.463
581 2HG2 THR 75 1HG2 THR 75 3.958 -8.108 -16.597
582 3HG2 THR 75 3HG2 THR 75 4.145 -6.973 -17.897
583 H PHE 76 H PHE 76 3.987 -6.337 -12.468
584 HA PHE 76 HA PHE 76 5.327 -7.956 -11.437
585 1HB PHE 76 2HB PHE 76 2.545 -9.124 -11.261
586 2HB PHE 76 1HB PHE 76 3.787 -9.226 -10.029
587 HD1 PHE 76 HD1 PHE 76 1.606 -6.902 -11.890
588 HD2 PHE 76 HD2 PHE 76 4.034 -7.430 -8.435
589 HE1 PHE 76 HE1 PHE 76 0.765 -4.816 -11.000
590 HE2 PHE 76 HE2 PHE 76 3.179 -5.306 -7.523
591 HZ PHE 76 HZ PHE 76 1.530 -4.005 -8.809
592 HA PRO 77 HA PRO 77 6.658 -11.568 -13.520
593 1HB PRO 77 2HB PRO 77 7.680 -13.066 -11.429
594 2HB PRO 77 1HB PRO 77 8.520 -11.658 -12.084
595 1HG PRO 77 2HG PRO 77 6.519 -11.733 -9.748
596 2HG PRO 77 1HG PRO 77 8.170 -11.099 -9.687
597 1HD PRO 77 2HD PRO 77 6.188 -9.356 -10.100
598 2HD PRO 77 1HD PRO 77 7.573 -9.243 -11.220
599 H ALA 78 H ALA 78 5.041 -12.577 -14.355
600 HA ALA 78 HA ALA 78 2.693 -13.594 -13.922
601 1HB ALA 78 1HB ALA 78 4.018 -14.080 -15.943
602 2HB ALA 78 3HB ALA 78 4.974 -15.261 -15.049
603 3HB ALA 78 2HB ALA 78 3.273 -15.568 -15.371
604 H ASP 79 H ASP 79 5.323 -15.291 -12.476
605 HA ASP 79 HA ASP 79 4.193 -17.595 -11.426
606 1HB ASP 79 2HB ASP 79 6.313 -15.768 -10.075
607 2HB ASP 79 1HB ASP 79 6.294 -17.522 -10.026
608 H ALA 80 H ALA 80 4.139 -14.478 -10.180
609 HA ALA 80 HA ALA 80 3.343 -14.137 -7.715
610 1HB ALA 80 3HB ALA 80 3.297 -12.430 -9.451
611 2HB ALA 80 2HB ALA 80 1.837 -13.132 -10.128
612 3HB ALA 80 1HB ALA 80 1.782 -12.357 -8.545
613 HA PRO 81 HA PRO 81 -0.486 -16.446 -6.867
614 1HB PRO 81 2HB PRO 81 0.278 -18.297 -5.219
615 2HB PRO 81 1HB PRO 81 0.851 -18.360 -6.885
616 1HG PRO 81 2HG PRO 81 2.378 -17.230 -4.450
617 2HG PRO 81 1HG PRO 81 2.989 -18.368 -5.658
618 1HD PRO 81 2HD PRO 81 3.288 -15.517 -5.796
619 2HD PRO 81 1HD PRO 81 3.507 -16.630 -7.166
620 H ALA 82 H ALA 82 -1.481 -16.842 -4.722
621 HA ALA 82 HA ALA 82 -2.759 -15.257 -3.273
622 1HB ALA 82 2HB ALA 82 -0.626 -16.934 -1.881
623 2HB ALA 82 1HB ALA 82 -2.094 -16.365 -1.089
624 3HB ALA 82 3HB ALA 82 -2.189 -17.500 -2.435
625 H GLY 83 H GLY 83 -1.582 -13.459 -4.239
626 1HA GLY 83 2HA GLY 83 0.519 -12.028 -3.265
627 2HA GLY 83 1HA GLY 83 -0.782 -11.277 -4.110
628 H GLU 84 H GLU 84 -0.450 -12.334 -0.667
629 HA GLU 84 HA GLU 84 -1.490 -9.627 -0.040
630 1HB GLU 84 2HB GLU 84 -2.254 -11.389 1.442
631 2HB GLU 84 1HB GLU 84 -0.641 -12.024 1.702
632 1HG GLU 84 2HG GLU 84 -1.547 -10.591 3.633
633 2HG GLU 84 1HG GLU 84 0.018 -10.093 3.044
634 H TYR 85 H TYR 85 0.148 -8.645 -1.205
635 HA TYR 85 HA TYR 85 2.845 -8.374 0.083
636 1HB TYR 85 2HB TYR 85 1.987 -7.286 -2.642
637 2HB TYR 85 1HB TYR 85 3.622 -7.459 -2.071
638 HD1 TYR 85 HD2 TYR 85 4.434 -9.982 -1.720
639 HD2 TYR 85 HD1 TYR 85 1.098 -8.816 -4.054
640 HE1 TYR 85 HE2 TYR 85 4.551 -12.123 -3.010
641 HE2 TYR 85 HE1 TYR 85 1.250 -10.927 -5.323
642 HH TYR 85 HH TYR 85 2.105 -13.279 -4.801
643 H THR 86 H THR 86 2.248 -6.976 1.750
644 HA THR 86 HA THR 86 0.639 -4.604 1.278
645 HB THR 86 HB THR 86 2.520 -5.226 3.619
646 HG1 THR 86 HG1 THR 86 0.451 -6.438 2.968
647 1HG2 THR 86 1HG2 THR 86 1.769 -2.710 3.296
648 2HG2 THR 86 3HG2 THR 86 0.126 -3.279 3.322
649 3HG2 THR 86 2HG2 THR 86 1.143 -3.479 4.739
650 H PHE 87 H PHE 87 1.202 -3.337 -0.138
651 HA PHE 87 HA PHE 87 3.853 -2.185 -0.509
652 1HB PHE 87 2HB PHE 87 3.208 -2.817 -2.558
653 2HB PHE 87 1HB PHE 87 1.551 -3.062 -2.091
654 HD1 PHE 87 HD2 PHE 87 3.075 0.340 -2.063
655 HD2 PHE 87 HD1 PHE 87 0.840 -2.556 -4.176
656 HE1 PHE 87 HE2 PHE 87 2.376 2.025 -3.643
657 HE2 PHE 87 HE1 PHE 87 0.125 -0.896 -5.769
658 HZ PHE 87 HZ PHE 87 0.891 1.451 -5.534
659 H TYR 88 H TYR 88 4.031 -0.638 1.039
660 HA TYR 88 HA TYR 88 1.904 1.409 1.262
661 1HB TYR 88 2HB TYR 88 2.868 1.834 3.546
662 2HB TYR 88 1HB TYR 88 2.160 0.246 3.303
663 HD1 TYR 88 HD2 TYR 88 5.476 2.019 3.262
664 HD2 TYR 88 HD1 TYR 88 3.433 -1.692 3.429
665 HE1 TYR 88 HE2 TYR 88 7.592 0.859 3.719
666 HE2 TYR 88 HE1 TYR 88 5.527 -2.817 3.879
667 HH TYR 88 HH TYR 88 7.527 -2.509 4.656
668 H CYS 89 H CYS 89 2.381 3.570 1.228
669 HA CYS 89 HA CYS 89 4.880 4.408 -0.106
670 1HB CYS 89 2HB CYS 89 2.620 5.288 -0.641
671 2HB CYS 89 1HB CYS 89 2.618 5.986 0.961
672 H GLU 90 H GLU 90 6.149 3.638 1.829
673 HA GLU 90 HA GLU 90 6.948 4.107 4.154
674 1HB GLU 90 2HB GLU 90 8.472 3.776 2.458
675 2HB GLU 90 1HB GLU 90 8.303 5.361 1.796
676 1HG GLU 90 2HG GLU 90 10.469 5.293 3.076
677 2HG GLU 90 1HG GLU 90 9.379 6.219 4.069
678 HA PRO 91 HA PRO 91 7.325 8.708 5.328
679 1HB PRO 91 2HB PRO 91 6.772 10.706 3.526
680 2HB PRO 91 1HB PRO 91 8.351 9.914 3.591
681 1HG PRO 91 2HG PRO 91 5.957 9.106 1.821
682 2HG PRO 91 1HG PRO 91 7.571 9.565 1.260
683 1HD PRO 91 2HD PRO 91 7.059 6.969 1.603
684 2HD PRO 91 1HD PRO 91 8.577 7.575 2.315
685 H HIS 92 HN HIP 92 4.795 7.666 3.460
686 HA HIS 92 HA HIP 92 2.665 8.964 5.118
687 1HB HIS 92 2HB HIP 92 2.385 7.979 2.247
688 2HB HIS 92 1HB HIP 92 1.323 9.079 3.108
689 HD2 HIS 92 HD2 HIP 92 3.491 11.280 4.158
690 HE1 HIS 92 HE1 HIP 92 4.539 11.625 0.127
691 HE2 HIS 92 HE2 HIP 92 4.633 12.640 2.346
692 H ARG 93 H ARG 93 3.847 6.485 5.916
693 HA ARG 93 HA ARG 93 2.124 4.283 5.071
694 1HB ARG 93 2HB ARG 93 4.146 4.601 7.290
695 2HB ARG 93 1HB ARG 93 3.205 3.128 7.197
696 1HG ARG 93 2HG ARG 93 4.013 2.866 4.800
697 2HG ARG 93 1HG ARG 93 5.028 4.252 5.040
698 1HD ARG 93 2HD ARG 93 5.189 1.618 6.611
699 2HD ARG 93 1HD ARG 93 6.332 2.165 5.396
700 HE ARG 93 HE ARG 93 5.976 3.582 8.045
701 1HH1 ARG 93 1HH2 ARG 93 6.954 5.550 6.891
702 2HH1 ARG 93 2HH2 ARG 93 8.651 5.275 6.702
703 1HH2 ARG 93 2HH1 ARG 93 8.286 1.908 6.999
704 2HH2 ARG 93 1HH1 ARG 93 9.383 3.200 6.635
705 H GLY 94 H GLY 94 0.682 3.083 6.127
706 1HA GLY 94 2HA GLY 94 -1.160 2.555 7.538
707 2HA GLY 94 1HA GLY 94 -0.468 3.622 8.736
708 H ALA 95 H ALA 95 -0.736 6.027 7.918
709 HA ALA 95 HA ALA 95 -3.617 6.474 7.951
710 1HB ALA 95 1HB ALA 95 -2.059 7.728 9.384
711 2HB ALA 95 3HB ALA 95 -1.222 8.360 7.974
712 3HB ALA 95 2HB ALA 95 -2.874 8.848 8.302
713 H GLY 96 H GLY 96 -3.440 5.354 5.665
714 1HA GLY 96 2HA GLY 96 -4.836 6.185 3.691
715 2HA GLY 96 1HA GLY 96 -3.820 7.577 3.639
716 H MET 97 H MET 97 -1.254 6.476 3.272
717 HA MET 97 HA MET 97 -1.706 5.551 0.520
718 1HB MET 97 2HB MET 97 0.871 6.201 1.958
719 2HB MET 97 1HB MET 97 0.673 6.007 0.218
720 1HG MET 97 2HG MET 97 -1.245 7.825 0.615
721 2HG MET 97 1HG MET 97 -0.292 8.220 1.991
722 1HE MET 97 3HE MET 97 -1.282 9.068 -1.294
723 2HE MET 97 2HE MET 97 0.132 9.459 -2.261
724 3HE MET 97 1HE MET 97 -0.199 7.793 -1.881
725 H VAL 98 H VAL 98 -2.562 3.531 1.416
726 HA VAL 98 HA VAL 98 -0.478 1.346 1.472
727 HB VAL 98 HB VAL 98 -3.207 1.386 2.690
728 1HG1 VAL 98 2HG1 VAL 98 -1.001 -0.745 2.712
729 2HG1 VAL 98 1HG1 VAL 98 -2.473 -0.791 3.677
730 3HG1 VAL 98 3HG1 VAL 98 -2.573 -0.886 1.929
731 1HG2 VAL 98 2HG2 VAL 98 -0.374 1.385 3.870
732 2HG2 VAL 98 1HG2 VAL 98 -1.477 2.751 3.880
733 3HG2 VAL 98 3HG2 VAL 98 -1.862 1.312 4.804
734 H GLY 99 H GLY 99 -0.388 0.205 -0.455
735 1HA GLY 99 2HA GLY 99 -2.859 -0.347 -2.067
736 2HA GLY 99 1HA GLY 99 -1.260 -0.176 -2.762
737 H LYS 100 H LYS 100 -3.109 -2.209 -0.618
738 HA LYS 100 HA LYS 100 -1.344 -4.477 -0.568
739 1HB LYS 100 2HB LYS 100 -4.356 -4.230 -0.183
740 2HB LYS 100 1HB LYS 100 -3.442 -5.639 0.306
741 1HG LYS 100 2HG LYS 100 -2.513 -2.928 1.309
742 2HG LYS 100 1HG LYS 100 -3.983 -3.541 2.001
743 1HD LYS 100 2HD LYS 100 -1.503 -5.333 1.849
744 2HD LYS 100 1HD LYS 100 -1.670 -4.182 3.158
745 1HE LYS 100 2HE LYS 100 -3.875 -5.218 3.737
746 2HE LYS 100 1HE LYS 100 -3.569 -6.419 2.476
747 1HZ LYS 100 2HZ LYS 100 -1.200 -6.246 3.860
748 2HZ LYS 100 1HZ LYS 100 -2.370 -6.385 5.108
749 3HZ LYS 100 3HZ LYS 100 -2.271 -7.478 3.841
750 H ILE 101 H ILE 101 -0.895 -4.346 -3.021
751 HA ILE 101 HA ILE 101 -2.661 -5.269 -5.015
752 HB ILE 101 HB ILE 101 0.290 -4.926 -4.655
753 1HG1 ILE 101 2HG1 ILE 101 -1.380 -3.569 -6.172
754 2HG1 ILE 101 1HG1 ILE 101 0.292 -3.754 -6.637
755 1HG2 ILE 101 1HG2 ILE 101 -0.491 -7.145 -6.563
756 2HG2 ILE 101 3HG2 ILE 101 1.052 -6.320 -6.632
757 3HG2 ILE 101 2HG2 ILE 101 0.631 -7.247 -5.223
758 1HD1 ILE 101 2HD1 ILE 101 -1.962 -5.559 -7.698
759 2HD1 ILE 101 1HD1 ILE 101 -1.251 -4.251 -8.622
760 3HD1 ILE 101 3HD1 ILE 101 -0.312 -5.649 -8.210
761 H THR 102 H THR 102 -3.934 -6.866 -4.025
762 HA THR 102 HA THR 102 -2.729 -9.430 -3.190
763 HB THR 102 HB THR 102 -5.511 -9.871 -3.076
764 HG1 THR 102 HG1 THR 102 -4.692 -7.188 -2.512
765 1HG2 THR 102 1HG2 THR 102 -3.664 -8.555 -1.034
766 2HG2 THR 102 3HG2 THR 102 -5.142 -9.442 -0.685
767 3HG2 THR 102 2HG2 THR 102 -3.743 -10.277 -1.318
768 H VAL 103 H VAL 103 -1.824 -10.097 -5.055
769 HA VAL 103 HA VAL 103 -3.448 -10.787 -7.368
770 HB VAL 103 HB VAL 103 -0.653 -11.546 -6.444
771 1HG1 VAL 103 3HG1 VAL 103 -2.116 -12.467 -8.981
772 2HG1 VAL 103 2HG1 VAL 103 -0.423 -12.737 -8.615
773 3HG1 VAL 103 1HG1 VAL 103 -1.646 -13.547 -7.684
774 1HG2 VAL 103 3HG2 VAL 103 -1.049 -9.348 -7.425
775 2HG2 VAL 103 2HG2 VAL 103 -0.027 -10.347 -8.445
776 3HG2 VAL 103 1HG2 VAL 103 -1.715 -10.123 -8.860
777 H ALA 104 H ALA 104 -5.013 -12.008 -7.198
778 HA ALA 104 HA ALA 104 -6.514 -13.495 -5.906
779 1HB ALA 104 3HB ALA 104 -6.452 -13.652 -8.322
780 2HB ALA 104 2HB ALA 104 -5.058 -14.724 -8.256
781 3HB ALA 104 1HB ALA 104 -6.623 -15.283 -7.677
782 H GLY 105 HN GLY 105 -4.426 -16.157 -6.819
783 1HA GLY 105 2HA GLY 105 -4.054 -17.040 -4.028
784 2HA GLY 105 1HA GLY 105 -4.985 -18.090 -5.092
No H/Q in entry = 784
Start of MODEL 16
1 1H GLU 1 3H GLU 1 -3.286 -5.130 -15.124
2 2H GLU 1 2H GLU 1 -4.646 -5.663 -15.907
3 3H GLU 1 1H GLU 1 -3.150 -6.053 -16.539
4 HA GLU 1 HA GLU 1 -2.951 -4.168 -17.691
5 1HB GLU 1 2HB GLU 1 -5.788 -3.600 -16.624
6 2HB GLU 1 1HB GLU 1 -5.050 -2.743 -17.950
7 1HG GLU 1 2HG GLU 1 -6.682 -4.524 -18.751
8 2HG GLU 1 1HG GLU 1 -5.072 -4.816 -19.364
9 H THR 2 H THR 2 -1.698 -2.247 -17.017
10 HA THR 2 HA THR 2 -1.257 -1.527 -14.457
11 HB THR 2 HB THR 2 -1.305 0.968 -16.179
12 HG1 THR 2 HG1 THR 2 -0.893 0.168 -18.029
13 1HG2 THR 2 2HG2 THR 2 0.751 0.089 -14.795
14 2HG2 THR 2 1HG2 THR 2 0.961 -1.104 -16.064
15 3HG2 THR 2 3HG2 THR 2 1.088 0.599 -16.434
16 H TYR 3 H TYR 3 -3.048 -1.863 -13.341
17 HA TYR 3 HA TYR 3 -5.273 -0.052 -13.315
18 1HB TYR 3 2HB TYR 3 -4.113 -1.717 -10.997
19 2HB TYR 3 1HB TYR 3 -5.766 -1.134 -11.088
20 HD1 TYR 3 HD2 TYR 3 -6.927 -1.761 -13.534
21 HD2 TYR 3 HD1 TYR 3 -3.813 -3.953 -11.638
22 HE1 TYR 3 HE2 TYR 3 -7.505 -3.762 -14.862
23 HE2 TYR 3 HE1 TYR 3 -4.412 -5.915 -12.952
24 HH TYR 3 HH TYR 3 -6.839 -5.819 -15.518
25 H THR 4 H THR 4 -4.926 1.977 -13.290
26 HA THR 4 HA THR 4 -2.914 3.564 -12.299
27 HB THR 4 HB THR 4 -4.454 5.498 -12.759
28 HG1 THR 4 HG1 THR 4 -6.581 4.007 -13.439
29 1HG2 THR 4 3HG2 THR 4 -5.179 3.194 -14.661
30 2HG2 THR 4 2HG2 THR 4 -5.322 4.914 -14.984
31 3HG2 THR 4 1HG2 THR 4 -3.753 4.183 -14.786
32 H VAL 5 H VAL 5 -2.348 3.131 -10.118
33 HA VAL 5 HA VAL 5 -4.134 4.087 -7.972
34 HB VAL 5 HB VAL 5 -1.116 3.436 -8.019
35 1HG1 VAL 5 3HG1 VAL 5 -1.917 4.834 -6.092
36 2HG1 VAL 5 2HG1 VAL 5 -3.119 3.617 -5.734
37 3HG1 VAL 5 1HG1 VAL 5 -1.414 3.234 -5.548
38 1HG2 VAL 5 1HG2 VAL 5 -3.485 1.713 -7.140
39 2HG2 VAL 5 3HG2 VAL 5 -2.545 1.467 -8.605
40 3HG2 VAL 5 2HG2 VAL 5 -1.792 1.255 -7.037
41 H LYS 6 H LYS 6 -4.468 6.226 -7.853
42 HA LYS 6 HA LYS 6 -2.589 8.223 -9.002
43 1HB LYS 6 2HB LYS 6 -5.392 8.659 -7.938
44 2HB LYS 6 1HB LYS 6 -4.540 9.700 -9.041
45 1HG LYS 6 2HG LYS 6 -5.004 8.378 -10.921
46 2HG LYS 6 1HG LYS 6 -4.999 6.882 -10.015
47 1HD LYS 6 2HD LYS 6 -7.184 7.994 -8.812
48 2HD LYS 6 1HD LYS 6 -7.218 8.985 -10.236
49 1HE LYS 6 2HE LYS 6 -8.750 6.987 -10.291
50 2HE LYS 6 1HE LYS 6 -7.631 7.036 -11.653
51 1HZ LYS 6 2HZ LYS 6 -6.360 5.766 -9.519
52 2HZ LYS 6 1HZ LYS 6 -7.748 5.026 -9.517
53 3HZ LYS 6 3HZ LYS 6 -6.753 5.023 -10.933
54 H LEU 7 H LEU 7 -1.727 7.183 -6.754
55 HA LEU 7 HA LEU 7 -1.655 7.684 -4.251
56 1HB LEU 7 2HB LEU 7 0.510 9.307 -5.611
57 2HB LEU 7 1HB LEU 7 0.684 8.238 -4.262
58 HG LEU 7 HG LEU 7 0.065 7.145 -7.070
59 1HD1 LEU 7 1HD1 LEU 7 2.739 7.316 -5.651
60 2HD1 LEU 7 3HD1 LEU 7 2.436 6.539 -7.185
61 3HD1 LEU 7 2HD1 LEU 7 2.296 8.267 -7.049
62 1HD2 LEU 7 3HD2 LEU 7 -0.447 5.723 -5.073
63 2HD2 LEU 7 2HD2 LEU 7 0.841 5.057 -6.053
64 3HD2 LEU 7 1HD2 LEU 7 1.218 5.881 -4.547
65 H GLY 8 H GLY 8 -3.574 9.069 -3.972
66 1HA GLY 8 2HA GLY 8 -3.795 11.103 -2.355
67 2HA GLY 8 1HA GLY 8 -2.922 12.008 -3.577
68 H SER 9 H SER 9 -5.723 10.020 -3.250
69 HA SER 9 HA SER 9 -7.455 10.285 -5.191
70 1HB SER 9 2HB SER 9 -8.105 9.471 -2.966
71 2HB SER 9 1HB SER 9 -8.303 11.130 -2.403
72 HG SER 9 HG SER 9 -9.607 10.903 -4.758
73 H ASP 10 H ASP 10 -7.637 13.200 -3.115
74 HA ASP 10 HA ASP 10 -8.720 14.621 -5.511
75 1HB ASP 10 2HB ASP 10 -10.255 15.694 -3.879
76 2HB ASP 10 1HB ASP 10 -10.176 14.015 -3.528
77 H LYS 11 H LYS 11 -7.640 16.225 -2.709
78 HA LYS 11 HA LYS 11 -5.552 17.790 -4.193
79 1HB LYS 11 2HB LYS 11 -7.148 18.682 -1.769
80 2HB LYS 11 1HB LYS 11 -5.921 19.585 -2.603
81 1HG LYS 11 2HG LYS 11 -7.427 20.453 -4.030
82 2HG LYS 11 1HG LYS 11 -7.730 18.864 -4.684
83 1HD LYS 11 2HD LYS 11 -9.141 20.015 -2.194
84 2HD LYS 11 1HD LYS 11 -9.850 19.989 -3.804
85 1HE LYS 11 2HE LYS 11 -9.627 17.555 -3.882
86 2HE LYS 11 1HE LYS 11 -8.880 17.567 -2.292
87 1HZ LYS 11 3HZ LYS 11 -11.354 18.924 -2.030
88 2HZ LYS 11 2HZ LYS 11 -11.604 17.425 -2.835
89 3HZ LYS 11 1HZ LYS 11 -10.826 17.421 -1.397
90 H GLY 12 H GLY 12 -6.500 16.209 -1.257
91 1HA GLY 12 2HA GLY 12 -3.668 15.783 -0.364
92 2HA GLY 12 1HA GLY 12 -4.765 16.515 0.774
93 H LEU 13 H LEU 13 -6.686 14.197 -0.603
94 HA LEU 13 HA LEU 13 -6.327 12.460 1.694
95 1HB LEU 13 2HB LEU 13 -8.004 12.363 -0.842
96 2HB LEU 13 1HB LEU 13 -8.150 11.115 0.381
97 HG LEU 13 HG LEU 13 -8.570 14.114 0.869
98 1HD1 LEU 13 2HD1 LEU 13 -10.231 13.108 -0.685
99 2HD1 LEU 13 1HD1 LEU 13 -10.576 11.845 0.482
100 3HD1 LEU 13 3HD1 LEU 13 -10.956 13.520 0.848
101 1HD2 LEU 13 3HD2 LEU 13 -9.319 11.632 2.515
102 2HD2 LEU 13 2HD2 LEU 13 -8.004 12.719 2.938
103 3HD2 LEU 13 1HD2 LEU 13 -9.653 13.297 2.952
104 H LEU 14 H LEU 14 -4.218 11.858 1.559
105 HA LEU 14 HA LEU 14 -2.957 10.448 -0.626
106 1HB LEU 14 2HB LEU 14 -2.203 10.581 2.312
107 2HB LEU 14 1HB LEU 14 -1.126 10.116 1.026
108 HG LEU 14 HG LEU 14 -2.368 12.870 1.477
109 1HD1 LEU 14 1HD1 LEU 14 0.497 11.884 1.416
110 2HD1 LEU 14 3HD1 LEU 14 -0.010 13.544 1.666
111 3HD1 LEU 14 2HD1 LEU 14 -0.420 12.318 2.851
112 1HD2 LEU 14 2HD2 LEU 14 -0.579 11.987 -0.839
113 2HD2 LEU 14 1HD2 LEU 14 -2.277 12.411 -0.996
114 3HD2 LEU 14 3HD2 LEU 14 -1.120 13.620 -0.511
115 H VAL 15 H VAL 15 -5.235 9.134 -0.252
116 HA VAL 15 HA VAL 15 -4.540 6.397 0.721
117 HB VAL 15 HB VAL 15 -6.523 7.551 1.763
118 1HG1 VAL 15 1HG1 VAL 15 -7.240 8.946 -0.197
119 2HG1 VAL 15 3HG1 VAL 15 -7.695 7.497 -1.072
120 3HG1 VAL 15 2HG1 VAL 15 -8.566 7.958 0.375
121 1HG2 VAL 15 1HG2 VAL 15 -6.584 5.068 1.524
122 2HG2 VAL 15 3HG2 VAL 15 -8.187 5.759 1.400
123 3HG2 VAL 15 2HG2 VAL 15 -7.366 5.231 -0.047
124 H PHE 16 H PHE 16 -5.674 4.728 -0.854
125 HA PHE 16 HA PHE 16 -5.141 5.628 -3.677
126 1HB PHE 16 2HB PHE 16 -4.918 2.830 -2.583
127 2HB PHE 16 1HB PHE 16 -4.339 3.394 -4.126
128 HD1 PHE 16 HD2 PHE 16 -2.543 5.324 -4.022
129 HD2 PHE 16 HD1 PHE 16 -3.505 2.824 -0.727
130 HE1 PHE 16 HE2 PHE 16 -0.364 5.865 -2.950
131 HE2 PHE 16 HE1 PHE 16 -1.368 3.373 0.315
132 HZ PHE 16 HZ PHE 16 0.203 4.869 -0.784
133 H GLU 17 H GLU 17 -6.304 5.270 -5.197
134 HA GLU 17 HA GLU 17 -9.069 4.161 -5.073
135 1HB GLU 17 2HB GLU 17 -9.129 5.952 -7.146
136 2HB GLU 17 1HB GLU 17 -9.566 6.308 -5.492
137 1HG GLU 17 2HG GLU 17 -7.868 7.978 -6.584
138 2HG GLU 17 1HG GLU 17 -7.396 7.346 -5.029
139 HA PRO 18 HA PRO 18 -8.724 2.181 -4.749
140 1HB PRO 18 2HB PRO 18 -8.762 -0.417 -5.157
141 2HB PRO 18 1HB PRO 18 -9.714 0.640 -6.223
142 1HG PRO 18 2HG PRO 18 -6.978 -0.615 -6.778
143 2HG PRO 18 1HG PRO 18 -8.363 -0.491 -7.863
144 1HD PRO 18 2HD PRO 18 -6.168 1.419 -7.616
145 2HD PRO 18 1HD PRO 18 -7.632 1.608 -8.616
146 H ALA 19 H ALA 19 -8.083 0.922 -3.009
147 HA ALA 19 HA ALA 19 -5.190 0.862 -2.461
148 1HB ALA 19 2HB ALA 19 -6.568 2.491 -1.112
149 2HB ALA 19 1HB ALA 19 -7.596 1.182 -0.571
150 3HB ALA 19 3HB ALA 19 -5.918 1.251 -0.055
151 H LYS 20 H LYS 20 -7.999 -0.927 -2.450
152 HA LYS 20 HA LYS 20 -6.759 -3.464 -1.434
153 1HB LYS 20 2HB LYS 20 -9.654 -2.549 -1.755
154 2HB LYS 20 1HB LYS 20 -9.194 -4.143 -1.192
155 1HG LYS 20 2HG LYS 20 -8.453 -3.344 0.920
156 2HG LYS 20 1HG LYS 20 -8.014 -1.786 0.286
157 1HD LYS 20 2HD LYS 20 -10.072 -1.586 1.745
158 2HD LYS 20 1HD LYS 20 -10.326 -1.032 0.120
159 1HE LYS 20 2HE LYS 20 -12.270 -2.302 0.854
160 2HE LYS 20 1HE LYS 20 -11.484 -3.151 -0.470
161 1HZ LYS 20 2HZ LYS 20 -10.231 -3.914 1.938
162 2HZ LYS 20 1HZ LYS 20 -11.896 -4.090 2.182
163 3HZ LYS 20 3HZ LYS 20 -11.130 -4.906 0.906
164 H LEU 21 H LEU 21 -5.753 -3.990 -3.511
165 HA LEU 21 HA LEU 21 -7.658 -4.305 -5.814
166 1HB LEU 21 2HB LEU 21 -5.554 -2.776 -5.954
167 2HB LEU 21 1HB LEU 21 -4.678 -4.260 -6.128
168 HG LEU 21 HG LEU 21 -6.688 -3.029 -8.059
169 1HD1 LEU 21 1HD1 LEU 21 -4.045 -4.470 -8.430
170 2HD1 LEU 21 3HD1 LEU 21 -4.990 -3.754 -9.711
171 3HD1 LEU 21 2HD1 LEU 21 -4.279 -2.734 -8.466
172 1HD2 LEU 21 1HD2 LEU 21 -6.058 -6.026 -8.157
173 2HD2 LEU 21 3HD2 LEU 21 -7.639 -5.357 -7.871
174 3HD2 LEU 21 2HD2 LEU 21 -6.860 -5.132 -9.406
175 H THR 22 H THR 22 -8.421 -6.411 -5.656
176 HA THR 22 HA THR 22 -6.453 -8.642 -5.497
177 HB THR 22 HB THR 22 -9.502 -8.628 -6.040
178 HG1 THR 22 HG1 THR 22 -7.736 -8.935 -3.848
179 1HG2 THR 22 3HG2 THR 22 -7.653 -11.000 -5.396
180 2HG2 THR 22 2HG2 THR 22 -9.373 -11.045 -5.685
181 3HG2 THR 22 1HG2 THR 22 -8.271 -10.703 -7.009
182 H ILE 23 H ILE 23 -5.279 -9.019 -7.220
183 HA ILE 23 HA ILE 23 -6.145 -8.148 -9.880
184 HB ILE 23 HB ILE 23 -3.470 -8.659 -10.358
185 1HG1 ILE 23 2HG1 ILE 23 -3.429 -8.489 -7.380
186 2HG1 ILE 23 1HG1 ILE 23 -3.567 -10.008 -8.230
187 1HG2 ILE 23 1HG2 ILE 23 -4.541 -6.363 -10.078
188 2HG2 ILE 23 3HG2 ILE 23 -4.167 -6.528 -8.359
189 3HG2 ILE 23 2HG2 ILE 23 -2.886 -6.535 -9.558
190 1HD1 ILE 23 1HD1 ILE 23 -1.346 -8.032 -8.862
191 2HD1 ILE 23 3HD1 ILE 23 -1.200 -9.338 -7.714
192 3HD1 ILE 23 2HD1 ILE 23 -1.499 -9.678 -9.416
193 H LYS 24 H LYS 24 -4.514 -9.694 -11.378
194 HA LYS 24 HA LYS 24 -6.022 -12.193 -11.230
195 1HB LYS 24 2HB LYS 24 -4.231 -10.866 -13.339
196 2HB LYS 24 1HB LYS 24 -4.924 -12.444 -13.648
197 1HG LYS 24 2HG LYS 24 -7.015 -11.551 -14.113
198 2HG LYS 24 1HG LYS 24 -7.012 -10.612 -12.644
199 1HD LYS 24 2HD LYS 24 -7.113 -9.020 -14.473
200 2HD LYS 24 1HD LYS 24 -5.539 -8.886 -13.742
201 1HE LYS 24 2HE LYS 24 -4.562 -10.265 -15.557
202 2HE LYS 24 1HE LYS 24 -6.161 -10.413 -16.300
203 1HZ LYS 24 1HZ LYS 24 -5.661 -7.683 -15.629
204 2HZ LYS 24 3HZ LYS 24 -4.375 -8.190 -16.466
205 3HZ LYS 24 2HZ LYS 24 -5.865 -8.252 -17.157
206 HA PRO 25 HA PRO 25 -1.857 -14.559 -10.581
207 1HB PRO 25 2HB PRO 25 -1.230 -15.232 -13.260
208 2HB PRO 25 1HB PRO 25 -2.105 -16.231 -12.099
209 1HG PRO 25 2HG PRO 25 -3.332 -14.292 -14.135
210 2HG PRO 25 1HG PRO 25 -3.768 -15.980 -13.814
211 1HD PRO 25 2HD PRO 25 -5.297 -14.223 -12.604
212 2HD PRO 25 1HD PRO 25 -4.574 -15.475 -11.598
213 H GLY 26 H GLY 26 -1.500 -11.955 -10.220
214 1HA GLY 26 2HA GLY 26 0.538 -10.653 -10.111
215 2HA GLY 26 1HA GLY 26 1.095 -11.409 -11.579
216 H ASP 27 H ASP 27 -0.126 -10.811 -13.459
217 HA ASP 27 HA ASP 27 -0.391 -9.137 -15.109
218 1HB ASP 27 2HB ASP 27 -2.572 -9.728 -14.044
219 2HB ASP 27 1HB ASP 27 -2.403 -8.356 -12.961
220 H THR 28 H THR 28 -1.329 -6.491 -14.886
221 HA THR 28 HA THR 28 1.052 -4.989 -14.055
222 HB THR 28 HB THR 28 -0.037 -3.174 -15.755
223 HG1 THR 28 HG1 THR 28 -0.585 -5.562 -17.027
224 1HG2 THR 28 3HG2 THR 28 1.486 -5.602 -16.732
225 2HG2 THR 28 2HG2 THR 28 1.283 -4.048 -17.546
226 3HG2 THR 28 1HG2 THR 28 2.182 -4.141 -16.059
227 H VAL 29 H VAL 29 1.026 -3.381 -12.826
228 HA VAL 29 HA VAL 29 -1.447 -2.094 -11.857
229 HB VAL 29 HB VAL 29 1.065 -2.550 -10.361
230 1HG1 VAL 29 1HG1 VAL 29 -1.681 -1.438 -9.524
231 2HG1 VAL 29 3HG1 VAL 29 -0.351 -1.767 -8.435
232 3HG1 VAL 29 2HG1 VAL 29 -0.214 -0.488 -9.615
233 1HG2 VAL 29 3HG2 VAL 29 -1.713 -3.825 -10.220
234 2HG2 VAL 29 2HG2 VAL 29 -0.262 -4.628 -10.792
235 3HG2 VAL 29 1HG2 VAL 29 -0.376 -4.114 -9.129
236 H GLU 30 H GLU 30 -1.379 0.345 -11.899
237 HA GLU 30 HA GLU 30 1.142 1.504 -12.890
238 1HB GLU 30 2HB GLU 30 -0.623 1.668 -14.443
239 2HB GLU 30 1HB GLU 30 -1.708 2.339 -13.286
240 1HG GLU 30 2HG GLU 30 -0.257 4.403 -13.162
241 2HG GLU 30 1HG GLU 30 0.946 3.634 -14.183
242 H PHE 31 H PHE 31 2.100 3.015 -11.738
243 HA PHE 31 HA PHE 31 0.722 4.089 -9.260
244 1HB PHE 31 2HB PHE 31 3.661 3.550 -9.717
245 2HB PHE 31 1HB PHE 31 3.007 4.374 -8.324
246 HD1 PHE 31 HD1 PHE 31 2.733 1.159 -10.226
247 HD2 PHE 31 HD2 PHE 31 2.257 3.134 -6.497
248 HE1 PHE 31 HE1 PHE 31 2.297 -0.996 -9.139
249 HE2 PHE 31 HE2 PHE 31 1.820 0.974 -5.401
250 HZ PHE 31 HZ PHE 31 1.841 -1.097 -6.726
251 H LEU 32 H LEU 32 -0.016 6.096 -9.739
252 HA LEU 32 HA LEU 32 1.576 8.093 -11.176
253 1HB LEU 32 2HB LEU 32 -0.482 7.448 -12.310
254 2HB LEU 32 1HB LEU 32 -1.380 7.647 -10.840
255 HG LEU 32 HG LEU 32 -1.049 10.092 -10.854
256 1HD1 LEU 32 1HD1 LEU 32 1.218 10.128 -12.014
257 2HD1 LEU 32 3HD1 LEU 32 0.425 9.633 -13.498
258 3HD1 LEU 32 2HD1 LEU 32 0.049 11.174 -12.782
259 1HD2 LEU 32 2HD2 LEU 32 -1.894 8.956 -13.553
260 2HD2 LEU 32 1HD2 LEU 32 -2.928 9.084 -12.140
261 3HD2 LEU 32 3HD2 LEU 32 -2.337 10.536 -12.932
262 H ASN 33 H ASN 33 2.537 9.589 -9.752
263 HA ASN 33 HA ASN 33 1.321 10.100 -7.128
264 1HB ASN 33 2HB ASN 33 3.250 11.737 -6.929
265 2HB ASN 33 1HB ASN 33 3.712 10.052 -7.234
266 1HD2 ASN 33 2HD2 ASN 33 4.768 12.786 -9.779
267 2HD2 ASN 33 1HD2 ASN 33 3.886 13.249 -8.372
268 H ASN 34 H ASN 34 -0.638 10.786 -8.182
269 HA ASN 34 HA ASN 34 -1.335 13.157 -9.384
270 1HB ASN 34 2HB ASN 34 -2.836 11.265 -8.650
271 2HB ASN 34 1HB ASN 34 -2.658 11.798 -6.996
272 1HD2 ASN 34 2HD2 ASN 34 -5.738 13.271 -7.478
273 2HD2 ASN 34 1HD2 ASN 34 -4.851 12.007 -6.781
274 H LYS 35 H LYS 35 -0.821 12.995 -5.858
275 HA LYS 35 HA LYS 35 -0.191 15.917 -5.853
276 1HB LYS 35 2HB LYS 35 -2.249 14.448 -4.140
277 2HB LYS 35 1HB LYS 35 -1.517 15.890 -3.493
278 1HG LYS 35 2HG LYS 35 -3.266 16.919 -4.562
279 2HG LYS 35 1HG LYS 35 -2.180 16.888 -5.935
280 1HD LYS 35 2HD LYS 35 -3.231 14.474 -6.354
281 2HD LYS 35 1HD LYS 35 -4.453 14.978 -5.247
282 1HE LYS 35 2HE LYS 35 -5.316 15.412 -7.425
283 2HE LYS 35 1HE LYS 35 -4.939 16.969 -6.695
284 1HZ LYS 35 3HZ LYS 35 -2.598 16.034 -7.898
285 2HZ LYS 35 2HZ LYS 35 -3.806 15.754 -8.995
286 3HZ LYS 35 1HZ LYS 35 -3.515 17.347 -8.434
287 H VAL 36 H VAL 36 0.373 16.297 -3.247
288 HA VAL 36 HA VAL 36 2.727 16.244 -2.380
289 HB VAL 36 HB VAL 36 0.928 14.324 -0.878
290 1HG1 VAL 36 1HG1 VAL 36 3.172 16.176 0.075
291 2HG1 VAL 36 3HG1 VAL 36 2.150 15.203 1.116
292 3HG1 VAL 36 2HG1 VAL 36 3.256 14.429 0.007
293 1HG2 VAL 36 1HG2 VAL 36 1.122 17.383 -0.720
294 2HG2 VAL 36 3HG2 VAL 36 -0.259 16.498 -1.352
295 3HG2 VAL 36 2HG2 VAL 36 0.159 16.374 0.338
296 HA PRO 37 HA PRO 37 5.096 12.501 -3.655
297 1HB PRO 37 2HB PRO 37 7.168 14.236 -4.418
298 2HB PRO 37 1HB PRO 37 6.003 13.518 -5.540
299 1HG PRO 37 2HG PRO 37 5.807 16.226 -4.083
300 2HG PRO 37 1HG PRO 37 5.674 15.955 -5.824
301 1HD PRO 37 2HD PRO 37 3.418 16.127 -4.432
302 2HD PRO 37 1HD PRO 37 3.545 14.732 -5.525
303 HA PRO 38 HA PRO 38 7.361 12.031 -3.908
304 1HB PRO 38 2HB PRO 38 9.596 10.912 -3.054
305 2HB PRO 38 1HB PRO 38 9.529 12.671 -3.258
306 1HG PRO 38 2HG PRO 38 9.116 11.069 -0.661
307 2HG PRO 38 1HG PRO 38 10.207 12.429 -0.910
308 1HD PRO 38 2HD PRO 38 7.605 12.704 0.115
309 2HD PRO 38 1HD PRO 38 8.435 14.017 -0.741
310 H HIS 39 HN HIP 39 6.200 10.292 -4.371
311 HA HIS 39 HA HIP 39 5.303 8.499 -2.172
312 1HB HIS 39 2HB HIP 39 4.633 8.390 -5.121
313 2HB HIS 39 1HB HIP 39 3.886 7.403 -3.874
314 HD2 HIS 39 HD2 HIP 39 3.951 10.904 -5.304
315 HE1 HIS 39 HE1 HIP 39 1.123 10.986 -2.270
316 HE2 HIS 39 HE2 HIP 39 2.081 12.165 -4.133
317 H ASN 40 H ASN 40 7.152 7.879 -1.652
318 HA ASN 40 HA ASN 40 8.826 5.950 -3.019
319 1HB ASN 40 2HB ASN 40 9.827 7.635 -1.641
320 2HB ASN 40 1HB ASN 40 8.567 7.579 -0.456
321 1HD2 ASN 40 2HD2 ASN 40 10.800 4.563 0.516
322 2HD2 ASN 40 1HD2 ASN 40 9.733 4.376 -0.791
323 H VAL 41 H VAL 41 6.527 4.798 -3.353
324 HA VAL 41 HA VAL 41 5.711 3.285 -0.962
325 HB VAL 41 HB VAL 41 4.286 1.944 -2.474
326 1HG1 VAL 41 3HG1 VAL 41 3.379 3.955 -1.332
327 2HG1 VAL 41 2HG1 VAL 41 3.934 4.969 -2.655
328 3HG1 VAL 41 1HG1 VAL 41 2.647 3.805 -2.918
329 1HG2 VAL 41 1HG2 VAL 41 5.494 2.345 -4.688
330 2HG2 VAL 41 3HG2 VAL 41 3.824 2.837 -4.790
331 3HG2 VAL 41 2HG2 VAL 41 5.074 4.039 -4.584
332 H VAL 42 H VAL 42 6.940 1.901 -0.237
333 HA VAL 42 HA VAL 42 8.678 0.190 -1.933
334 HB VAL 42 HB VAL 42 8.508 0.645 1.045
335 1HG1 VAL 42 1HG1 VAL 42 10.682 -0.631 -0.646
336 2HG1 VAL 42 3HG1 VAL 42 10.744 -0.334 1.088
337 3HG1 VAL 42 2HG1 VAL 42 9.610 -1.506 0.444
338 1HG2 VAL 42 2HG2 VAL 42 10.376 1.862 -1.046
339 2HG2 VAL 42 1HG2 VAL 42 9.128 2.681 -0.127
340 3HG2 VAL 42 3HG2 VAL 42 10.521 2.058 0.695
341 H PHE 43 H PHE 43 8.425 -2.146 -1.784
342 HA PHE 43 HA PHE 43 5.728 -3.012 -1.147
343 1HB PHE 43 2HB PHE 43 7.758 -4.016 -3.008
344 2HB PHE 43 1HB PHE 43 7.067 -5.283 -2.034
345 HD1 PHE 43 HD1 PHE 43 5.724 -2.142 -3.659
346 HD2 PHE 43 HD2 PHE 43 5.263 -6.291 -2.853
347 HE1 PHE 43 HE1 PHE 43 3.653 -2.136 -4.911
348 HE2 PHE 43 HE2 PHE 43 3.175 -6.292 -4.095
349 HZ PHE 43 HZ PHE 43 2.339 -4.213 -5.134
350 H ASP 44 H ASP 44 5.320 -4.850 0.270
351 HA ASP 44 HA ASP 44 7.216 -4.947 2.534
352 1HB ASP 44 2HB ASP 44 5.284 -5.124 3.744
353 2HB ASP 44 1HB ASP 44 4.432 -4.863 2.244
354 H ALA 45 H ALA 45 7.858 -6.524 3.619
355 HA ALA 45 HA ALA 45 8.506 -9.115 2.383
356 1HB ALA 45 2HB ALA 45 10.379 -7.630 2.561
357 2HB ALA 45 1HB ALA 45 10.098 -7.419 4.277
358 3HB ALA 45 3HB ALA 45 10.600 -8.986 3.662
359 H ALA 46 H ALA 46 6.690 -7.916 4.890
360 HA ALA 46 HA ALA 46 7.079 -10.294 6.707
361 1HB ALA 46 2HB ALA 46 7.654 -8.154 7.691
362 2HB ALA 46 1HB ALA 46 6.070 -7.492 7.320
363 3HB ALA 46 3HB ALA 46 6.231 -8.788 8.496
364 H LEU 47 H LEU 47 4.545 -8.224 5.447
365 HA LEU 47 HA LEU 47 2.342 -9.826 6.355
366 1HB LEU 47 2HB LEU 47 2.404 -7.777 4.089
367 2HB LEU 47 1HB LEU 47 0.990 -8.206 5.007
368 HG LEU 47 HG LEU 47 3.451 -6.814 6.184
369 1HD1 LEU 47 3HD1 LEU 47 0.744 -5.744 5.330
370 2HD1 LEU 47 2HD1 LEU 47 1.984 -4.819 6.169
371 3HD1 LEU 47 1HD1 LEU 47 2.295 -5.443 4.562
372 1HD2 LEU 47 1HD2 LEU 47 0.647 -7.269 7.306
373 2HD2 LEU 47 3HD2 LEU 47 2.095 -8.095 7.868
374 3HD2 LEU 47 2HD2 LEU 47 1.932 -6.364 8.087
375 H ASN 48 H ASN 48 3.849 -9.295 3.700
376 HA ASN 48 HA ASN 48 2.985 -10.408 1.436
377 1HB ASN 48 2HB ASN 48 5.177 -9.411 1.778
378 2HB ASN 48 1HB ASN 48 5.759 -10.808 2.640
379 1HD2 ASN 48 2HD2 ASN 48 6.579 -10.649 -1.072
380 2HD2 ASN 48 1HD2 ASN 48 6.455 -9.378 0.075
381 HA PRO 49 HA PRO 49 1.633 -14.705 2.246
382 1HB PRO 49 2HB PRO 49 2.071 -15.658 -0.389
383 2HB PRO 49 1HB PRO 49 0.585 -14.913 0.182
384 1HG PRO 49 2HG PRO 49 2.968 -13.560 -1.149
385 2HG PRO 49 1HG PRO 49 1.259 -13.404 -1.565
386 1HD PRO 49 2HD PRO 49 2.311 -11.478 -0.096
387 2HD PRO 49 1HD PRO 49 0.799 -12.182 0.524
388 H ALA 50 H ALA 50 4.560 -14.207 0.395
389 HA ALA 50 HA ALA 50 5.859 -16.506 1.819
390 1HB ALA 50 3HB ALA 50 5.605 -16.770 -0.601
391 2HB ALA 50 2HB ALA 50 6.441 -15.243 -0.873
392 3HB ALA 50 1HB ALA 50 7.310 -16.609 -0.199
393 H LYS 51 H LYS 51 5.755 -13.881 2.971
394 HA LYS 51 HA LYS 51 7.286 -11.969 3.380
395 1HB LYS 51 2HB LYS 51 7.927 -14.278 5.211
396 2HB LYS 51 1HB LYS 51 8.116 -12.569 5.542
397 1HG LYS 51 2HG LYS 51 6.179 -12.586 6.432
398 2HG LYS 51 1HG LYS 51 5.508 -12.583 4.807
399 1HD LYS 51 2HD LYS 51 6.074 -15.351 5.461
400 2HD LYS 51 1HD LYS 51 5.475 -14.672 6.955
401 1HE LYS 51 2HE LYS 51 4.099 -14.852 4.299
402 2HE LYS 51 1HE LYS 51 3.571 -15.541 5.811
403 1HZ LYS 51 1HZ LYS 51 3.921 -12.699 6.145
404 2HZ LYS 51 3HZ LYS 51 3.027 -12.968 4.790
405 3HZ LYS 51 2HZ LYS 51 2.459 -13.540 6.248
406 H SER 52 H SER 52 8.627 -12.494 1.308
407 HA SER 52 HA SER 52 11.484 -13.053 2.107
408 1HB SER 52 2HB SER 52 10.187 -13.038 -0.645
409 2HB SER 52 1HB SER 52 11.939 -13.167 -0.405
410 HG SER 52 HG SER 52 9.963 -14.791 0.872
411 H ALA 53 H ALA 53 13.013 -11.588 2.094
412 HA ALA 53 HA ALA 53 12.350 -8.751 1.681
413 1HB ALA 53 2HB ALA 53 13.660 -9.544 3.647
414 2HB ALA 53 1HB ALA 53 14.904 -10.180 2.580
415 3HB ALA 53 3HB ALA 53 14.642 -8.455 2.683
416 H ASP 54 H ASP 54 12.145 -10.080 -0.616
417 HA ASP 54 HA ASP 54 14.281 -9.104 -2.383
418 1HB ASP 54 2HB ASP 54 14.139 -11.540 -2.517
419 2HB ASP 54 1HB ASP 54 12.392 -11.528 -2.459
420 H LEU 55 H LEU 55 11.251 -10.146 -3.502
421 HA LEU 55 HA LEU 55 10.399 -8.155 -5.161
422 1HB LEU 55 2HB LEU 55 9.146 -10.317 -4.351
423 2HB LEU 55 1HB LEU 55 8.395 -9.295 -3.136
424 HG LEU 55 HG LEU 55 7.667 -7.749 -5.090
425 1HD1 LEU 55 1HD1 LEU 55 9.317 -8.718 -6.789
426 2HD1 LEU 55 3HD1 LEU 55 8.484 -10.248 -6.675
427 3HD1 LEU 55 2HD1 LEU 55 7.665 -8.852 -7.341
428 1HD2 LEU 55 3HD2 LEU 55 6.676 -10.632 -5.095
429 2HD2 LEU 55 2HD2 LEU 55 6.107 -9.370 -4.011
430 3HD2 LEU 55 1HD2 LEU 55 5.811 -9.245 -5.732
431 H ALA 56 H ALA 56 9.967 -8.062 -1.728
432 HA ALA 56 HA ALA 56 8.621 -5.858 -0.954
433 1HB ALA 56 2HB ALA 56 11.438 -6.615 -0.031
434 2HB ALA 56 1HB ALA 56 10.289 -5.651 0.896
435 3HB ALA 56 3HB ALA 56 9.932 -7.334 0.537
436 H LYS 57 H LYS 57 11.840 -5.730 -2.286
437 HA LYS 57 HA LYS 57 11.438 -2.858 -2.985
438 1HB LYS 57 2HB LYS 57 13.312 -3.149 -1.264
439 2HB LYS 57 1HB LYS 57 14.006 -4.424 -2.236
440 1HG LYS 57 2HG LYS 57 15.386 -2.598 -2.757
441 2HG LYS 57 1HG LYS 57 14.337 -2.620 -4.130
442 1HD LYS 57 2HD LYS 57 14.289 -0.712 -1.736
443 2HD LYS 57 1HD LYS 57 14.624 -0.301 -3.391
444 1HE LYS 57 2HE LYS 57 11.930 -0.992 -2.220
445 2HE LYS 57 1HE LYS 57 12.480 0.573 -2.747
446 1HZ LYS 57 2HZ LYS 57 12.734 -1.376 -4.913
447 2HZ LYS 57 1HZ LYS 57 11.193 -1.321 -4.306
448 3HZ LYS 57 3HZ LYS 57 11.838 0.054 -4.870
449 H SER 58 H SER 58 12.819 -5.911 -4.140
450 HA SER 58 HA SER 58 13.713 -5.090 -6.673
451 1HB SER 58 2HB SER 58 12.185 -7.670 -6.037
452 2HB SER 58 1HB SER 58 13.174 -7.384 -7.474
453 HG SER 58 HG SER 58 14.110 -8.293 -5.394
454 H LEU 59 H LEU 59 10.465 -5.249 -5.583
455 HA LEU 59 HA LEU 59 9.405 -4.661 -8.304
456 1HB LEU 59 2HB LEU 59 8.539 -6.626 -7.001
457 2HB LEU 59 1HB LEU 59 7.906 -5.524 -5.799
458 HG LEU 59 HG LEU 59 6.556 -4.406 -7.657
459 1HD1 LEU 59 1HD1 LEU 59 7.508 -6.869 -9.191
460 2HD1 LEU 59 3HD1 LEU 59 6.285 -5.744 -9.735
461 3HD1 LEU 59 2HD1 LEU 59 7.942 -5.216 -9.586
462 1HD2 LEU 59 1HD2 LEU 59 6.104 -7.389 -7.259
463 2HD2 LEU 59 3HD2 LEU 59 5.546 -6.128 -6.172
464 3HD2 LEU 59 2HD2 LEU 59 4.926 -6.222 -7.810
465 H SER 60 H SER 60 9.265 -3.285 -4.945
466 HA SER 60 HA SER 60 7.537 -1.126 -5.829
467 1HB SER 60 2HB SER 60 7.790 -0.419 -3.570
468 2HB SER 60 1HB SER 60 7.672 -2.161 -3.654
469 HG SER 60 HG SER 60 9.617 -2.233 -2.804
470 H HIS 61 H HIS 61 7.999 1.136 -5.033
471 HA HIS 61 HA HIS 61 9.865 2.379 -6.809
472 1HB HIS 61 2HB HIS 61 8.182 3.406 -4.489
473 2HB HIS 61 1HB HIS 61 9.042 4.496 -5.548
474 HD1 HIS 61 HD1 HIS 61 6.536 5.215 -5.772
475 HD2 HIS 61 HD2 HIS 61 7.512 1.798 -7.765
476 HE1 HIS 61 HE1 HIS 61 4.777 4.873 -7.510
477 H LYS 62 H LYS 62 10.885 4.482 -5.553
478 HA LYS 62 HA LYS 62 12.980 3.432 -3.661
479 1HB LYS 62 2HB LYS 62 13.271 5.598 -5.750
480 2HB LYS 62 1HB LYS 62 14.544 5.014 -4.691
481 1HG LYS 62 2HG LYS 62 14.383 2.719 -5.724
482 2HG LYS 62 1HG LYS 62 13.163 3.280 -6.833
483 1HD LYS 62 2HD LYS 62 16.031 4.374 -6.647
484 2HD LYS 62 1HD LYS 62 15.474 3.235 -7.856
485 1HE LYS 62 2HE LYS 62 13.840 4.925 -8.700
486 2HE LYS 62 1HE LYS 62 14.434 6.091 -7.520
487 1HZ LYS 62 2HZ LYS 62 16.673 4.940 -8.827
488 2HZ LYS 62 1HZ LYS 62 15.594 5.445 -10.024
489 3HZ LYS 62 3HZ LYS 62 16.169 6.553 -8.884
490 H GLN 63 H GLN 63 14.131 5.497 -2.600
491 HA GLN 63 HA GLN 63 11.914 6.886 -1.340
492 1HB GLN 63 2HB GLN 63 14.927 6.838 -0.782
493 2HB GLN 63 1HB GLN 63 13.750 7.618 0.256
494 1HG GLN 63 2HG GLN 63 12.621 5.521 0.776
495 2HG GLN 63 1HG GLN 63 13.457 4.620 -0.458
496 1HE2 GLN 63 2HE2 GLN 63 14.883 4.349 3.075
497 2HE2 GLN 63 1HE2 GLN 63 13.253 4.541 2.657
498 H LEU 64 H LEU 64 12.017 7.651 -3.824
499 HA LEU 64 HA LEU 64 12.160 10.565 -3.598
500 1HB LEU 64 2HB LEU 64 13.836 10.938 -5.372
501 2HB LEU 64 1HB LEU 64 14.508 10.098 -4.006
502 HG LEU 64 HG LEU 64 13.554 8.535 -6.444
503 1HD1 LEU 64 3HD1 LEU 64 16.284 9.820 -5.916
504 2HD1 LEU 64 2HD1 LEU 64 15.936 8.760 -7.267
505 3HD1 LEU 64 1HD1 LEU 64 15.161 10.327 -7.159
506 1HD2 LEU 64 3HD2 LEU 64 15.775 8.157 -4.352
507 2HD2 LEU 64 2HD2 LEU 64 14.254 7.311 -4.301
508 3HD2 LEU 64 1HD2 LEU 64 15.392 6.986 -5.593
509 H LEU 65 H LEU 65 9.784 9.147 -4.366
510 HA LEU 65 HA LEU 65 9.624 9.456 -7.338
511 1HB LEU 65 2HB LEU 65 8.284 7.680 -5.837
512 2HB LEU 65 1HB LEU 65 7.145 8.993 -5.645
513 HG LEU 65 HG LEU 65 7.969 7.601 -8.221
514 1HD1 LEU 65 2HD1 LEU 65 6.032 6.752 -6.918
515 2HD1 LEU 65 1HD1 LEU 65 5.274 8.330 -7.042
516 3HD1 LEU 65 3HD1 LEU 65 5.555 7.385 -8.481
517 1HD2 LEU 65 1HD2 LEU 65 6.425 10.229 -8.044
518 2HD2 LEU 65 3HD2 LEU 65 8.018 10.041 -8.772
519 3HD2 LEU 65 2HD2 LEU 65 6.635 9.255 -9.477
520 H MET 66 H MET 66 10.248 11.642 -7.144
521 HA MET 66 HA MET 66 8.050 13.614 -6.512
522 1HB MET 66 2HB MET 66 10.214 13.568 -5.329
523 2HB MET 66 1HB MET 66 10.952 14.010 -6.871
524 1HG MET 66 2HG MET 66 9.641 16.118 -6.935
525 2HG MET 66 1HG MET 66 8.826 15.693 -5.456
526 1HE MET 66 3HE MET 66 12.271 16.134 -7.040
527 2HE MET 66 2HE MET 66 11.567 17.767 -7.008
528 3HE MET 66 1HE MET 66 12.981 17.376 -6.038
529 H SER 67 H SER 67 7.758 12.383 -8.579
530 HA SER 67 HA SER 67 8.543 13.959 -11.057
531 1HB SER 67 2HB SER 67 8.820 11.410 -10.972
532 2HB SER 67 1HB SER 67 7.056 11.331 -11.173
533 HG SER 67 HG SER 67 7.979 11.533 -13.199
534 HA PRO 68 HA PRO 68 4.487 15.408 -9.320
535 1HB PRO 68 2HB PRO 68 4.474 17.944 -10.465
536 2HB PRO 68 1HB PRO 68 5.340 17.522 -8.987
537 1HG PRO 68 2HG PRO 68 6.400 17.427 -11.874
538 2HG PRO 68 1HG PRO 68 7.104 18.327 -10.522
539 1HD PRO 68 2HD PRO 68 8.138 15.962 -11.029
540 2HD PRO 68 1HD PRO 68 7.636 16.236 -9.342
541 H GLY 69 H GLY 69 3.469 13.705 -10.700
542 1HA GLY 69 2HA GLY 69 1.132 13.802 -11.725
543 2HA GLY 69 1HA GLY 69 1.765 14.968 -12.859
544 H GLN 70 H GLN 70 4.066 12.622 -12.512
545 HA GLN 70 HA GLN 70 3.090 11.257 -14.987
546 1HB GLN 70 2HB GLN 70 5.139 12.529 -15.208
547 2HB GLN 70 1HB GLN 70 5.809 11.838 -13.758
548 1HG GLN 70 2HG GLN 70 5.151 9.917 -16.043
549 2HG GLN 70 1HG GLN 70 6.584 10.918 -16.174
550 1HE2 GLN 70 2HE2 GLN 70 6.879 7.737 -13.949
551 2HE2 GLN 70 1HE2 GLN 70 5.598 7.944 -15.053
552 H SER 71 H SER 71 3.190 9.017 -15.222
553 HA SER 71 HA SER 71 3.213 7.465 -12.677
554 1HB SER 71 2HB SER 71 1.528 6.018 -13.839
555 2HB SER 71 1HB SER 71 1.056 7.694 -13.533
556 HG SER 71 HG SER 71 0.971 6.686 -15.747
557 H THR 72 H THR 72 3.724 5.379 -12.559
558 HA THR 72 HA THR 72 5.615 4.266 -14.659
559 HB THR 72 HB THR 72 6.863 4.658 -12.637
560 HG1 THR 72 HG1 THR 72 6.591 1.953 -12.385
561 1HG2 THR 72 3HG2 THR 72 4.967 2.621 -11.350
562 2HG2 THR 72 2HG2 THR 72 6.386 3.354 -10.617
563 3HG2 THR 72 1HG2 THR 72 4.983 4.345 -10.971
564 H SER 73 H SER 73 5.572 2.111 -15.114
565 HA SER 73 HA SER 73 3.024 0.496 -14.644
566 1HB SER 73 2HB SER 73 3.522 1.027 -17.007
567 2HB SER 73 1HB SER 73 5.074 0.174 -16.851
568 HG SER 73 HG SER 73 3.978 -1.689 -16.819
569 H THR 74 H THR 74 3.314 -0.792 -12.987
570 HA THR 74 HA THR 74 5.886 -2.340 -12.767
571 HB THR 74 HB THR 74 3.843 -1.601 -10.601
572 HG1 THR 74 HG1 THR 74 6.406 -1.053 -10.147
573 1HG2 THR 74 1HG2 THR 74 6.552 -3.061 -10.396
574 2HG2 THR 74 3HG2 THR 74 5.480 -2.662 -9.066
575 3HG2 THR 74 2HG2 THR 74 5.022 -3.904 -10.210
576 H THR 75 H THR 75 5.804 -4.402 -13.153
577 HA THR 75 HA THR 75 3.135 -5.806 -13.361
578 HB THR 75 HB THR 75 5.718 -6.545 -14.821
579 HG1 THR 75 HG1 THR 75 3.917 -4.604 -15.126
580 1HG2 THR 75 2HG2 THR 75 2.768 -7.226 -15.301
581 2HG2 THR 75 1HG2 THR 75 4.142 -7.806 -16.212
582 3HG2 THR 75 3HG2 THR 75 3.869 -8.389 -14.580
583 H PHE 76 H PHE 76 2.914 -7.833 -12.602
584 HA PHE 76 HA PHE 76 4.890 -8.758 -10.520
585 1HB PHE 76 2HB PHE 76 1.933 -9.123 -10.814
586 2HB PHE 76 1HB PHE 76 2.838 -9.956 -9.571
587 HD1 PHE 76 HD1 PHE 76 2.199 -6.524 -10.926
588 HD2 PHE 76 HD2 PHE 76 3.004 -8.899 -7.501
589 HE1 PHE 76 HE1 PHE 76 1.936 -4.551 -9.504
590 HE2 PHE 76 HE2 PHE 76 2.728 -6.933 -6.070
591 HZ PHE 76 HZ PHE 76 2.188 -4.747 -7.081
592 HA PRO 77 HA PRO 77 4.908 -12.483 -13.160
593 1HB PRO 77 2HB PRO 77 7.409 -12.346 -14.185
594 2HB PRO 77 1HB PRO 77 6.017 -11.540 -14.893
595 1HG PRO 77 2HG PRO 77 8.338 -10.143 -13.592
596 2HG PRO 77 1HG PRO 77 6.903 -9.370 -14.248
597 1HD PRO 77 2HD PRO 77 7.335 -10.286 -11.342
598 2HD PRO 77 1HD PRO 77 6.498 -8.846 -11.917
599 H ALA 78 H ALA 78 8.230 -12.091 -12.546
600 HA ALA 78 HA ALA 78 9.578 -14.009 -11.625
601 1HB ALA 78 1HB ALA 78 10.042 -11.664 -10.667
602 2HB ALA 78 3HB ALA 78 8.757 -11.930 -9.491
603 3HB ALA 78 2HB ALA 78 10.217 -12.893 -9.422
604 H ASP 79 H ASP 79 8.097 -15.550 -11.970
605 HA ASP 79 HA ASP 79 5.836 -16.342 -10.971
606 1HB ASP 79 2HB ASP 79 8.562 -17.983 -11.243
607 2HB ASP 79 1HB ASP 79 7.014 -18.741 -11.601
608 H ALA 80 H ALA 80 5.632 -15.235 -9.562
609 HA ALA 80 HA ALA 80 6.147 -16.046 -6.797
610 1HB ALA 80 1HB ALA 80 4.721 -13.677 -8.133
611 2HB ALA 80 3HB ALA 80 5.001 -13.715 -6.406
612 3HB ALA 80 2HB ALA 80 6.346 -13.663 -7.520
613 HA PRO 81 HA PRO 81 2.112 -17.749 -6.051
614 1HB PRO 81 2HB PRO 81 2.086 -17.922 -3.391
615 2HB PRO 81 1HB PRO 81 3.472 -18.575 -4.283
616 1HG PRO 81 2HG PRO 81 3.225 -15.793 -2.975
617 2HG PRO 81 1HG PRO 81 4.515 -16.970 -2.738
618 1HD PRO 81 2HD PRO 81 4.618 -14.884 -4.641
619 2HD PRO 81 1HD PRO 81 5.568 -16.380 -4.771
620 H ALA 82 H ALA 82 0.126 -17.545 -4.627
621 HA ALA 82 HA ALA 82 -1.118 -14.934 -5.212
622 1HB ALA 82 1HB ALA 82 -2.264 -17.605 -4.260
623 2HB ALA 82 3HB ALA 82 -3.230 -16.226 -4.761
624 3HB ALA 82 2HB ALA 82 -2.202 -17.040 -5.926
625 H GLY 83 H GLY 83 -2.722 -14.134 -3.620
626 1HA GLY 83 2HA GLY 83 -3.330 -13.929 -1.126
627 2HA GLY 83 1HA GLY 83 -1.624 -14.172 -0.778
628 H GLU 84 H GLU 84 -2.126 -12.143 0.499
629 HA GLU 84 HA GLU 84 -2.220 -9.675 -1.132
630 1HB GLU 84 2HB GLU 84 -2.567 -10.221 1.791
631 2HB GLU 84 1HB GLU 84 -2.323 -8.601 1.207
632 1HG GLU 84 2HG GLU 84 -4.365 -8.915 -0.327
633 2HG GLU 84 1HG GLU 84 -4.656 -10.448 0.500
634 H TYR 85 H TYR 85 -0.679 -8.467 -1.613
635 HA TYR 85 HA TYR 85 1.949 -8.445 -0.098
636 1HB TYR 85 2HB TYR 85 1.434 -7.658 -2.978
637 2HB TYR 85 1HB TYR 85 2.962 -7.584 -2.149
638 HD1 TYR 85 HD1 TYR 85 4.196 -9.600 -1.606
639 HD2 TYR 85 HD2 TYR 85 0.469 -9.790 -3.644
640 HE1 TYR 85 HE1 TYR 85 4.655 -11.952 -2.276
641 HE2 TYR 85 HE2 TYR 85 0.962 -12.128 -4.292
642 HH TYR 85 HH TYR 85 2.356 -13.733 -4.242
643 H THR 86 H THR 86 2.472 -6.368 0.798
644 HA THR 86 HA THR 86 0.620 -4.116 0.079
645 HB THR 86 HB THR 86 1.460 -5.120 2.701
646 HG1 THR 86 HG1 THR 86 -0.258 -3.204 1.524
647 1HG2 THR 86 1HG2 THR 86 1.469 -2.080 2.241
648 2HG2 THR 86 3HG2 THR 86 1.588 -2.920 3.774
649 3HG2 THR 86 2HG2 THR 86 2.935 -2.978 2.645
650 H PHE 87 H PHE 87 1.206 -2.176 -0.274
651 HA PHE 87 HA PHE 87 4.039 -1.600 -0.757
652 1HB PHE 87 2HB PHE 87 2.695 0.293 -2.298
653 2HB PHE 87 1HB PHE 87 3.450 -1.171 -2.861
654 HD1 PHE 87 HD1 PHE 87 1.970 -3.335 -2.518
655 HD2 PHE 87 HD2 PHE 87 0.449 0.611 -2.855
656 HE1 PHE 87 HE1 PHE 87 -0.145 -4.244 -3.210
657 HE2 PHE 87 HE2 PHE 87 -1.708 -0.278 -3.574
658 HZ PHE 87 HZ PHE 87 -2.046 -2.719 -3.766
659 H TYR 88 H TYR 88 4.762 -0.023 0.747
660 HA TYR 88 HA TYR 88 2.855 1.942 1.860
661 1HB TYR 88 2HB TYR 88 4.455 1.954 3.864
662 2HB TYR 88 1HB TYR 88 3.457 0.535 3.595
663 HD1 TYR 88 HD1 TYR 88 4.418 -1.467 2.520
664 HD2 TYR 88 HD2 TYR 88 6.896 1.807 3.636
665 HE1 TYR 88 HE1 TYR 88 6.380 -2.883 2.320
666 HE2 TYR 88 HE2 TYR 88 8.867 0.350 3.427
667 HH TYR 88 HH TYR 88 8.674 -2.786 2.045
668 H CYS 89 H CYS 89 3.261 4.150 1.586
669 HA CYS 89 HA CYS 89 5.757 5.016 0.251
670 1HB CYS 89 2HB CYS 89 3.310 6.411 1.241
671 2HB CYS 89 1HB CYS 89 4.734 7.342 0.854
672 H GLU 90 H GLU 90 7.360 4.424 2.115
673 HA GLU 90 HA GLU 90 7.549 5.042 4.696
674 1HB GLU 90 2HB GLU 90 9.515 5.755 2.500
675 2HB GLU 90 1HB GLU 90 9.918 6.109 4.167
676 1HG GLU 90 2HG GLU 90 9.629 3.665 4.713
677 2HG GLU 90 1HG GLU 90 9.170 3.342 3.049
678 HA PRO 91 HA PRO 91 8.095 9.823 4.997
679 1HB PRO 91 2HB PRO 91 8.093 11.384 2.767
680 2HB PRO 91 1HB PRO 91 9.534 10.500 3.286
681 1HG PRO 91 2HG PRO 91 7.394 9.516 1.286
682 2HG PRO 91 1HG PRO 91 9.132 9.681 0.995
683 1HD PRO 91 2HD PRO 91 8.251 7.285 1.756
684 2HD PRO 91 1HD PRO 91 9.697 7.936 2.555
685 H HIS 92 HN HIP 92 5.624 8.463 3.300
686 HA HIS 92 HA HIP 92 3.662 10.671 3.920
687 1HB HIS 92 2HB HIP 92 3.410 8.321 1.959
688 2HB HIS 92 1HB HIP 92 2.152 9.490 2.251
689 HD2 HIS 92 HD2 HIP 92 4.479 12.019 2.278
690 HE1 HIS 92 HE1 HIP 92 4.487 11.166 -1.785
691 HE2 HIS 92 HE2 HIP 92 5.048 12.781 -0.069
692 H ARG 93 H ARG 93 4.213 7.272 4.096
693 HA ARG 93 HA ARG 93 2.271 5.854 5.139
694 1HB ARG 93 2HB ARG 93 4.720 5.254 5.258
695 2HB ARG 93 1HB ARG 93 4.872 6.163 6.732
696 1HG ARG 93 2HG ARG 93 2.559 4.236 6.809
697 2HG ARG 93 1HG ARG 93 4.073 3.439 6.492
698 1HD ARG 93 2HD ARG 93 3.683 3.404 8.877
699 2HD ARG 93 1HD ARG 93 5.047 4.474 8.552
700 HE ARG 93 HE ARG 93 3.390 6.429 8.763
701 1HH1 ARG 93 2HH1 ARG 93 0.981 6.169 8.927
702 2HH1 ARG 93 1HH1 ARG 93 0.513 5.754 10.523
703 1HH2 ARG 93 1HH2 ARG 93 3.716 4.594 11.109
704 2HH2 ARG 93 2HH2 ARG 93 2.145 4.748 11.841
705 H GLY 94 H GLY 94 3.781 8.185 7.202
706 1HA GLY 94 2HA GLY 94 2.602 8.155 9.698
707 2HA GLY 94 1HA GLY 94 2.702 9.678 8.826
708 H ALA 95 H ALA 95 1.065 9.543 6.950
709 HA ALA 95 HA ALA 95 -1.667 9.427 8.159
710 1HB ALA 95 2HB ALA 95 -0.788 11.643 7.325
711 2HB ALA 95 1HB ALA 95 -0.518 10.925 5.741
712 3HB ALA 95 3HB ALA 95 -2.151 11.114 6.345
713 H GLY 96 H GLY 96 -1.483 7.241 7.894
714 1HA GLY 96 2HA GLY 96 -1.470 5.085 6.743
715 2HA GLY 96 1HA GLY 96 -3.072 5.707 6.484
716 H MET 97 H MET 97 -0.187 6.660 4.716
717 HA MET 97 HA MET 97 -1.601 6.000 2.197
718 1HB MET 97 2HB MET 97 -0.323 8.104 2.464
719 2HB MET 97 1HB MET 97 1.169 7.213 2.712
720 1HG MET 97 2HG MET 97 1.135 6.371 0.437
721 2HG MET 97 1HG MET 97 -0.535 6.803 0.245
722 1HE MET 97 3HE MET 97 -1.392 8.313 -0.864
723 2HE MET 97 2HE MET 97 -0.805 9.863 -1.387
724 3HE MET 97 1HE MET 97 -0.345 8.400 -2.271
725 H VAL 98 H VAL 98 -1.570 3.826 3.190
726 HA VAL 98 HA VAL 98 0.618 2.036 2.143
727 HB VAL 98 HB VAL 98 0.473 2.053 4.510
728 1HG1 VAL 98 2HG1 VAL 98 -1.961 2.582 4.798
729 2HG1 VAL 98 1HG1 VAL 98 -2.377 1.009 4.157
730 3HG1 VAL 98 3HG1 VAL 98 -1.523 1.129 5.678
731 1HG2 VAL 98 2HG2 VAL 98 1.086 -0.075 3.336
732 2HG2 VAL 98 1HG2 VAL 98 0.217 -0.410 4.823
733 3HG2 VAL 98 3HG2 VAL 98 -0.605 -0.538 3.285
734 H GLY 99 H GLY 99 -0.033 0.478 0.620
735 1HA GLY 99 2HA GLY 99 -2.979 -0.086 0.200
736 2HA GLY 99 1HA GLY 99 -1.911 0.172 -1.161
737 H LYS 100 H LYS 100 -3.530 -2.053 -0.849
738 HA LYS 100 HA LYS 100 -1.544 -4.260 -0.691
739 1HB LYS 100 2HB LYS 100 -4.299 -4.112 0.502
740 2HB LYS 100 1HB LYS 100 -3.675 -5.679 0.024
741 1HG LYS 100 2HG LYS 100 -1.585 -5.106 1.383
742 2HG LYS 100 1HG LYS 100 -2.499 -3.808 2.131
743 1HD LYS 100 2HD LYS 100 -3.119 -6.816 2.072
744 2HD LYS 100 1HD LYS 100 -2.610 -5.911 3.482
745 1HE LYS 100 2HE LYS 100 -4.758 -4.665 3.424
746 2HE LYS 100 1HE LYS 100 -5.223 -5.564 1.974
747 1HZ LYS 100 2HZ LYS 100 -4.302 -7.471 3.760
748 2HZ LYS 100 1HZ LYS 100 -5.430 -6.575 4.664
749 3HZ LYS 100 3HZ LYS 100 -5.757 -7.337 3.169
750 H ILE 101 H ILE 101 -1.417 -5.548 -2.275
751 HA ILE 101 HA ILE 101 -3.560 -5.629 -4.400
752 HB ILE 101 HB ILE 101 -1.069 -4.837 -4.944
753 1HG1 ILE 101 2HG1 ILE 101 -2.657 -6.869 -6.534
754 2HG1 ILE 101 1HG1 ILE 101 -2.767 -5.129 -6.641
755 1HG2 ILE 101 2HG2 ILE 101 -0.064 -6.922 -3.898
756 2HG2 ILE 101 1HG2 ILE 101 -0.811 -7.886 -5.168
757 3HG2 ILE 101 3HG2 ILE 101 0.425 -6.715 -5.574
758 1HD1 ILE 101 1HD1 ILE 101 -0.352 -5.062 -7.393
759 2HD1 ILE 101 3HD1 ILE 101 -0.327 -6.807 -7.444
760 3HD1 ILE 101 2HD1 ILE 101 -1.364 -5.938 -8.521
761 H THR 102 H THR 102 -4.371 -7.702 -4.792
762 HA THR 102 HA THR 102 -3.365 -9.974 -3.095
763 HB THR 102 HB THR 102 -6.064 -10.309 -4.393
764 HG1 THR 102 HG1 THR 102 -5.986 -8.872 -2.002
765 1HG2 THR 102 3HG2 THR 102 -5.098 -10.545 -1.522
766 2HG2 THR 102 2HG2 THR 102 -6.628 -11.115 -2.163
767 3HG2 THR 102 1HG2 THR 102 -5.123 -11.882 -2.654
768 H VAL 103 H VAL 103 -2.082 -11.332 -4.372
769 HA VAL 103 HA VAL 103 -2.598 -11.426 -7.291
770 HB VAL 103 HB VAL 103 -0.617 -12.920 -5.475
771 1HG1 VAL 103 2HG1 VAL 103 -0.792 -12.952 -8.537
772 2HG1 VAL 103 1HG1 VAL 103 0.460 -13.722 -7.582
773 3HG1 VAL 103 3HG1 VAL 103 -1.177 -14.321 -7.515
774 1HG2 VAL 103 3HG2 VAL 103 -0.091 -10.481 -5.944
775 2HG2 VAL 103 2HG2 VAL 103 1.111 -11.596 -6.579
776 3HG2 VAL 103 1HG2 VAL 103 -0.052 -10.884 -7.659
777 H ALA 104 H ALA 104 -3.571 -13.004 -8.349
778 HA ALA 104 HA ALA 104 -4.896 -15.216 -6.829
779 1HB ALA 104 3HB ALA 104 -6.410 -13.364 -7.517
780 2HB ALA 104 2HB ALA 104 -5.892 -13.538 -9.178
781 3HB ALA 104 1HB ALA 104 -6.825 -14.812 -8.423
782 H GLY 105 HN GLY 105 -6.028 -16.459 -9.061
783 1HA GLY 105 2HA GLY 105 -3.796 -17.634 -10.645
784 2HA GLY 105 1HA GLY 105 -4.965 -18.665 -9.801
No H/Q in entry = 784
Start of MODEL 17
1 1H GLU 1 2H GLU 1 -3.688 -5.222 -15.024
2 2H GLU 1 1H GLU 1 -4.575 -5.962 -16.240
3 3H GLU 1 3H GLU 1 -3.013 -6.441 -15.936
4 HA GLU 1 HA GLU 1 -2.127 -4.872 -17.273
5 1HB GLU 1 2HB GLU 1 -5.078 -4.085 -17.724
6 2HB GLU 1 1HB GLU 1 -3.759 -3.565 -18.738
7 1HG GLU 1 2HG GLU 1 -4.992 -5.473 -19.826
8 2HG GLU 1 1HG GLU 1 -3.362 -5.972 -19.470
9 H THR 2 H THR 2 -1.508 -2.414 -17.002
10 HA THR 2 HA THR 2 -1.663 -1.463 -14.469
11 HB THR 2 HB THR 2 -1.418 0.935 -15.746
12 HG1 THR 2 HG1 THR 2 -2.034 0.763 -17.679
13 1HG2 THR 2 2HG2 THR 2 0.633 -0.609 -15.413
14 2HG2 THR 2 1HG2 THR 2 0.223 -1.327 -16.979
15 3HG2 THR 2 3HG2 THR 2 0.640 0.377 -16.872
16 H TYR 3 H TYR 3 -3.472 -2.064 -13.657
17 HA TYR 3 HA TYR 3 -5.842 -0.266 -13.885
18 1HB TYR 3 2HB TYR 3 -5.215 -2.308 -11.633
19 2HB TYR 3 1HB TYR 3 -6.803 -1.737 -12.081
20 HD1 TYR 3 HD1 TYR 3 -7.107 -2.199 -14.904
21 HD2 TYR 3 HD2 TYR 3 -4.974 -4.563 -12.084
22 HE1 TYR 3 HE1 TYR 3 -7.366 -4.188 -16.346
23 HE2 TYR 3 HE2 TYR 3 -5.247 -6.519 -13.522
24 HH TYR 3 HH TYR 3 -6.717 -6.284 -16.704
25 H THR 4 H THR 4 -4.444 1.469 -13.745
26 HA THR 4 HA THR 4 -2.562 2.201 -11.848
27 HB THR 4 HB THR 4 -3.247 3.585 -14.007
28 HG1 THR 4 HG1 THR 4 -2.149 5.000 -12.940
29 1HG2 THR 4 1HG2 THR 4 -5.713 3.826 -13.338
30 2HG2 THR 4 3HG2 THR 4 -5.171 4.853 -12.018
31 3HG2 THR 4 2HG2 THR 4 -4.865 5.336 -13.671
32 H VAL 5 H VAL 5 -2.221 3.199 -10.169
33 HA VAL 5 HA VAL 5 -4.521 3.461 -8.268
34 HB VAL 5 HB VAL 5 -1.545 3.007 -7.727
35 1HG1 VAL 5 3HG1 VAL 5 -3.972 3.016 -5.843
36 2HG1 VAL 5 2HG1 VAL 5 -2.325 2.639 -5.364
37 3HG1 VAL 5 1HG1 VAL 5 -2.742 4.263 -5.881
38 1HG2 VAL 5 2HG2 VAL 5 -3.942 1.125 -7.447
39 2HG2 VAL 5 1HG2 VAL 5 -2.699 0.998 -8.669
40 3HG2 VAL 5 3HG2 VAL 5 -2.294 0.739 -6.985
41 H LYS 6 H LYS 6 -4.951 5.291 -7.498
42 HA LYS 6 HA LYS 6 -3.600 7.751 -8.347
43 1HB LYS 6 2HB LYS 6 -6.010 7.332 -6.543
44 2HB LYS 6 1HB LYS 6 -5.470 8.872 -7.188
45 1HG LYS 6 2HG LYS 6 -6.058 8.080 -9.509
46 2HG LYS 6 1HG LYS 6 -6.491 6.521 -8.851
47 1HD LYS 6 2HD LYS 6 -8.577 7.844 -9.083
48 2HD LYS 6 1HD LYS 6 -8.249 7.566 -7.387
49 1HE LYS 6 2HE LYS 6 -7.261 9.858 -7.196
50 2HE LYS 6 1HE LYS 6 -7.566 10.126 -8.908
51 1HZ LYS 6 1HZ LYS 6 -9.931 9.147 -7.625
52 2HZ LYS 6 3HZ LYS 6 -9.387 10.503 -6.767
53 3HZ LYS 6 2HZ LYS 6 -9.736 10.628 -8.404
54 H LEU 7 H LEU 7 -1.910 8.440 -7.209
55 HA LEU 7 HA LEU 7 -1.709 7.884 -4.283
56 1HB LEU 7 2HB LEU 7 0.222 9.168 -6.271
57 2HB LEU 7 1HB LEU 7 0.626 8.836 -4.619
58 HG LEU 7 HG LEU 7 -0.328 6.418 -5.448
59 1HD1 LEU 7 2HD1 LEU 7 1.198 7.558 -7.754
60 2HD1 LEU 7 1HD1 LEU 7 0.776 5.869 -7.530
61 3HD1 LEU 7 3HD1 LEU 7 -0.488 7.049 -7.730
62 1HD2 LEU 7 1HD2 LEU 7 1.852 6.888 -4.196
63 2HD2 LEU 7 3HD2 LEU 7 2.141 5.779 -5.526
64 3HD2 LEU 7 2HD2 LEU 7 2.545 7.477 -5.699
65 H GLY 8 H GLY 8 -3.613 9.073 -4.432
66 1HA GLY 8 2HA GLY 8 -4.325 11.007 -2.978
67 2HA GLY 8 1HA GLY 8 -3.389 12.057 -4.030
68 H SER 9 H SER 9 -5.949 12.526 -3.460
69 HA SER 9 HA SER 9 -7.310 11.938 -6.105
70 1HB SER 9 2HB SER 9 -8.411 10.856 -3.981
71 2HB SER 9 1HB SER 9 -8.972 12.497 -3.636
72 HG SER 9 HG SER 9 -10.262 12.392 -5.323
73 H ASP 10 H ASP 10 -8.486 13.317 -7.095
74 HA ASP 10 HA ASP 10 -8.535 15.441 -8.153
75 1HB ASP 10 2HB ASP 10 -10.744 14.892 -7.196
76 2HB ASP 10 1HB ASP 10 -10.273 15.485 -5.611
77 H LYS 11 H LYS 11 -9.110 17.291 -5.455
78 HA LYS 11 HA LYS 11 -6.456 18.667 -5.711
79 1HB LYS 11 2HB LYS 11 -9.108 19.763 -5.151
80 2HB LYS 11 1HB LYS 11 -7.642 20.712 -5.298
81 1HG LYS 11 2HG LYS 11 -7.273 19.886 -7.649
82 2HG LYS 11 1HG LYS 11 -8.674 18.854 -7.542
83 1HD LYS 11 2HD LYS 11 -8.796 21.885 -7.242
84 2HD LYS 11 1HD LYS 11 -9.132 21.048 -8.741
85 1HE LYS 11 2HE LYS 11 -10.596 20.394 -6.176
86 2HE LYS 11 1HE LYS 11 -11.145 21.663 -7.255
87 1HZ LYS 11 1HZ LYS 11 -10.505 19.157 -8.627
88 2HZ LYS 11 3HZ LYS 11 -11.521 18.887 -7.454
89 3HZ LYS 11 2HZ LYS 11 -12.012 19.947 -8.648
90 H GLY 12 H GLY 12 -7.244 16.594 -3.548
91 1HA GLY 12 2HA GLY 12 -6.757 18.425 -1.170
92 2HA GLY 12 1HA GLY 12 -7.855 17.104 -1.048
93 H LEU 13 H LEU 13 -6.810 14.914 -1.096
94 HA LEU 13 HA LEU 13 -4.158 15.072 0.317
95 1HB LEU 13 2HB LEU 13 -6.475 13.183 0.897
96 2HB LEU 13 1HB LEU 13 -4.939 13.149 1.730
97 HG LEU 13 HG LEU 13 -6.830 15.547 1.742
98 1HD1 LEU 13 3HD1 LEU 13 -6.221 13.391 3.829
99 2HD1 LEU 13 2HD1 LEU 13 -7.271 14.774 4.070
100 3HD1 LEU 13 1HD1 LEU 13 -7.725 13.522 2.934
101 1HD2 LEU 13 3HD2 LEU 13 -4.343 14.872 3.396
102 2HD2 LEU 13 2HD2 LEU 13 -4.411 16.106 2.145
103 3HD2 LEU 13 1HD2 LEU 13 -5.365 16.281 3.596
104 H LEU 14 H LEU 14 -2.697 13.355 0.354
105 HA LEU 14 HA LEU 14 -2.394 11.929 -2.133
106 1HB LEU 14 2HB LEU 14 -0.180 11.490 -0.679
107 2HB LEU 14 1HB LEU 14 -0.446 13.010 -1.487
108 HG LEU 14 HG LEU 14 0.313 13.004 0.889
109 1HD1 LEU 14 2HD1 LEU 14 -1.920 14.851 0.173
110 2HD1 LEU 14 1HD1 LEU 14 -0.915 14.980 1.606
111 3HD1 LEU 14 3HD1 LEU 14 -0.200 15.015 0.021
112 1HD2 LEU 14 3HD2 LEU 14 -0.955 11.313 1.862
113 2HD2 LEU 14 2HD2 LEU 14 -1.243 12.817 2.724
114 3HD2 LEU 14 1HD2 LEU 14 -2.458 12.160 1.640
115 H VAL 15 H VAL 15 -4.433 10.688 -1.271
116 HA VAL 15 HA VAL 15 -3.826 8.414 0.505
117 HB VAL 15 HB VAL 15 -6.182 7.750 0.085
118 1HG1 VAL 15 2HG1 VAL 15 -5.811 9.658 1.645
119 2HG1 VAL 15 1HG1 VAL 15 -5.948 10.790 0.311
120 3HG1 VAL 15 3HG1 VAL 15 -7.333 9.824 0.788
121 1HG2 VAL 15 1HG2 VAL 15 -6.213 9.926 -2.069
122 2HG2 VAL 15 3HG2 VAL 15 -6.277 8.195 -2.363
123 3HG2 VAL 15 2HG2 VAL 15 -7.591 8.978 -1.528
124 H PHE 16 H PHE 16 -4.413 6.184 -0.290
125 HA PHE 16 HA PHE 16 -3.109 5.625 -2.933
126 1HB PHE 16 2HB PHE 16 -2.671 4.671 -0.222
127 2HB PHE 16 1HB PHE 16 -3.227 3.308 -1.129
128 HD1 PHE 16 HD2 PHE 16 -1.435 4.897 -3.683
129 HD2 PHE 16 HD1 PHE 16 -0.885 3.053 0.105
130 HE1 PHE 16 HE2 PHE 16 0.876 4.361 -4.267
131 HE2 PHE 16 HE1 PHE 16 1.421 2.527 -0.460
132 HZ PHE 16 HZ PHE 16 2.315 3.164 -2.652
133 H GLU 17 H GLU 17 -5.140 5.903 -4.016
134 HA GLU 17 HA GLU 17 -7.040 3.646 -3.556
135 1HB GLU 17 2HB GLU 17 -7.470 6.428 -4.615
136 2HB GLU 17 1HB GLU 17 -8.703 5.184 -4.749
137 1HG GLU 17 2HG GLU 17 -7.461 5.813 -2.029
138 2HG GLU 17 1HG GLU 17 -8.870 6.671 -2.611
139 HA PRO 18 HA PRO 18 -8.592 2.453 -4.231
140 1HB PRO 18 2HB PRO 18 -9.335 0.159 -5.294
141 2HB PRO 18 1HB PRO 18 -9.712 1.680 -6.120
142 1HG PRO 18 2HG PRO 18 -7.320 -0.193 -6.651
143 2HG PRO 18 1HG PRO 18 -8.474 0.402 -7.843
144 1HD PRO 18 2HD PRO 18 -6.028 1.658 -7.336
145 2HD PRO 18 1HD PRO 18 -7.434 2.543 -7.937
146 H ALA 19 H ALA 19 -7.296 2.270 -2.458
147 HA ALA 19 HA ALA 19 -5.132 0.966 -1.654
148 1HB ALA 19 2HB ALA 19 -7.801 1.105 -0.196
149 2HB ALA 19 1HB ALA 19 -6.251 0.853 0.608
150 3HB ALA 19 3HB ALA 19 -6.578 2.345 -0.264
151 H LYS 20 H LYS 20 -8.102 -0.766 -1.931
152 HA LYS 20 HA LYS 20 -6.706 -3.378 -1.418
153 1HB LYS 20 2HB LYS 20 -8.803 -2.429 -0.078
154 2HB LYS 20 1HB LYS 20 -9.714 -3.063 -1.418
155 1HG LYS 20 2HG LYS 20 -7.810 -4.715 0.322
156 2HG LYS 20 1HG LYS 20 -9.524 -4.621 0.554
157 1HD LYS 20 2HD LYS 20 -9.288 -6.686 -0.554
158 2HD LYS 20 1HD LYS 20 -9.849 -5.597 -1.797
159 1HE LYS 20 2HE LYS 20 -7.899 -5.728 -3.064
160 2HE LYS 20 1HE LYS 20 -6.875 -5.953 -1.655
161 1HZ LYS 20 3HZ LYS 20 -8.625 -8.147 -1.792
162 2HZ LYS 20 2HZ LYS 20 -8.077 -7.886 -3.373
163 3HZ LYS 20 1HZ LYS 20 -6.962 -8.094 -2.145
164 H LEU 21 H LEU 21 -5.933 -3.166 -3.698
165 HA LEU 21 HA LEU 21 -7.990 -3.936 -5.731
166 1HB LEU 21 2HB LEU 21 -6.370 -2.081 -6.182
167 2HB LEU 21 1HB LEU 21 -5.064 -3.212 -6.031
168 HG LEU 21 HG LEU 21 -5.797 -2.561 -8.442
169 1HD1 LEU 21 2HD1 LEU 21 -5.462 -5.530 -7.746
170 2HD1 LEU 21 1HD1 LEU 21 -5.303 -4.831 -9.323
171 3HD1 LEU 21 3HD1 LEU 21 -4.197 -4.371 -8.053
172 1HD2 LEU 21 2HD2 LEU 21 -8.246 -3.039 -8.297
173 2HD2 LEU 21 1HD2 LEU 21 -7.449 -3.999 -9.525
174 3HD2 LEU 21 3HD2 LEU 21 -7.912 -4.739 -8.041
175 H THR 22 H THR 22 -8.071 -5.788 -6.727
176 HA THR 22 HA THR 22 -6.208 -8.017 -5.922
177 HB THR 22 HB THR 22 -9.024 -8.342 -7.053
178 HG1 THR 22 HG1 THR 22 -9.581 -8.460 -5.062
179 1HG2 THR 22 1HG2 THR 22 -7.334 -10.285 -7.270
180 2HG2 THR 22 3HG2 THR 22 -7.122 -10.218 -5.533
181 3HG2 THR 22 2HG2 THR 22 -8.686 -10.646 -6.212
182 H ILE 23 H ILE 23 -4.819 -8.428 -7.583
183 HA ILE 23 HA ILE 23 -5.587 -7.794 -10.354
184 HB ILE 23 HB ILE 23 -3.041 -8.462 -10.823
185 1HG1 ILE 23 2HG1 ILE 23 -2.533 -7.892 -7.980
186 2HG1 ILE 23 1HG1 ILE 23 -2.950 -9.502 -8.494
187 1HG2 ILE 23 1HG2 ILE 23 -3.904 -6.203 -10.991
188 2HG2 ILE 23 3HG2 ILE 23 -3.519 -5.958 -9.286
189 3HG2 ILE 23 2HG2 ILE 23 -2.259 -6.307 -10.461
190 1HD1 ILE 23 2HD1 ILE 23 -0.765 -7.840 -9.837
191 2HD1 ILE 23 1HD1 ILE 23 -0.417 -9.115 -8.697
192 3HD1 ILE 23 3HD1 ILE 23 -1.182 -9.493 -10.225
193 H LYS 24 H LYS 24 -4.525 -9.299 -11.905
194 HA LYS 24 HA LYS 24 -5.620 -11.903 -11.305
195 1HB LYS 24 2HB LYS 24 -4.442 -10.658 -13.810
196 2HB LYS 24 1HB LYS 24 -5.340 -12.174 -13.819
197 1HG LYS 24 2HG LYS 24 -7.399 -11.183 -13.651
198 2HG LYS 24 1HG LYS 24 -6.858 -9.945 -12.557
199 1HD LYS 24 2HD LYS 24 -7.430 -8.946 -14.762
200 2HD LYS 24 1HD LYS 24 -5.726 -8.751 -14.410
201 1HE LYS 24 2HE LYS 24 -5.324 -10.905 -15.767
202 2HE LYS 24 1HE LYS 24 -7.010 -10.785 -16.257
203 1HZ LYS 24 3HZ LYS 24 -5.901 -8.209 -16.443
204 2HZ LYS 24 2HZ LYS 24 -4.777 -9.144 -17.150
205 3HZ LYS 24 1HZ LYS 24 -6.329 -9.067 -17.748
206 HA PRO 25 HA PRO 25 -1.653 -14.018 -10.735
207 1HB PRO 25 2HB PRO 25 -1.527 -15.883 -12.802
208 2HB PRO 25 1HB PRO 25 -2.464 -16.075 -11.318
209 1HG PRO 25 2HG PRO 25 -3.444 -14.865 -13.976
210 2HG PRO 25 1HG PRO 25 -4.183 -16.199 -13.079
211 1HD PRO 25 2HD PRO 25 -5.191 -13.819 -12.683
212 2HD PRO 25 1HD PRO 25 -4.756 -14.708 -11.220
213 H GLY 26 H GLY 26 -0.763 -11.661 -11.525
214 1HA GLY 26 2HA GLY 26 1.514 -11.122 -12.236
215 2HA GLY 26 1HA GLY 26 1.444 -12.363 -13.450
216 H ASP 27 H ASP 27 -0.885 -9.735 -13.005
217 HA ASP 27 HA ASP 27 -0.098 -8.836 -15.741
218 1HB ASP 27 2HB ASP 27 -2.409 -8.171 -15.910
219 2HB ASP 27 1HB ASP 27 -2.488 -9.523 -14.819
220 H THR 28 H THR 28 -0.921 -6.168 -15.518
221 HA THR 28 HA THR 28 1.223 -5.051 -13.852
222 HB THR 28 HB THR 28 1.056 -2.959 -15.456
223 HG1 THR 28 HG1 THR 28 0.494 -4.555 -17.472
224 1HG2 THR 28 2HG2 THR 28 2.060 -5.612 -16.546
225 2HG2 THR 28 1HG2 THR 28 2.530 -3.997 -17.080
226 3HG2 THR 28 3HG2 THR 28 2.951 -4.550 -15.477
227 H VAL 29 H VAL 29 1.161 -3.443 -12.753
228 HA VAL 29 HA VAL 29 -1.312 -1.942 -12.103
229 HB VAL 29 HB VAL 29 0.752 -2.785 -10.192
230 1HG1 VAL 29 3HG1 VAL 29 -1.808 -1.126 -9.852
231 2HG1 VAL 29 2HG1 VAL 29 -0.804 -1.714 -8.544
232 3HG1 VAL 29 1HG1 VAL 29 -0.191 -0.492 -9.628
233 1HG2 VAL 29 3HG2 VAL 29 -2.225 -3.401 -10.615
234 2HG2 VAL 29 2HG2 VAL 29 -0.921 -4.524 -10.933
235 3HG2 VAL 29 1HG2 VAL 29 -1.245 -3.983 -9.294
236 H GLU 30 H GLU 30 -0.900 0.516 -12.346
237 HA GLU 30 HA GLU 30 1.934 1.293 -12.334
238 1HB GLU 30 2HB GLU 30 1.377 3.081 -13.835
239 2HB GLU 30 1HB GLU 30 0.807 1.561 -14.471
240 1HG GLU 30 2HG GLU 30 -1.479 2.020 -13.823
241 2HG GLU 30 1HG GLU 30 -0.991 3.339 -12.772
242 H PHE 31 H PHE 31 2.340 3.504 -11.586
243 HA PHE 31 HA PHE 31 0.657 4.253 -9.206
244 1HB PHE 31 2HB PHE 31 3.640 4.553 -9.678
245 2HB PHE 31 1HB PHE 31 2.830 5.114 -8.231
246 HD1 PHE 31 HD1 PHE 31 1.511 3.434 -6.848
247 HD2 PHE 31 HD2 PHE 31 4.144 2.225 -9.951
248 HE1 PHE 31 HE1 PHE 31 1.552 1.156 -5.921
249 HE2 PHE 31 HE2 PHE 31 4.197 -0.049 -9.035
250 HZ PHE 31 HZ PHE 31 2.896 -0.586 -7.021
251 H LEU 32 H LEU 32 -0.705 5.615 -10.579
252 HA LEU 32 HA LEU 32 0.118 8.099 -11.682
253 1HB LEU 32 2HB LEU 32 -1.967 7.058 -12.264
254 2HB LEU 32 1HB LEU 32 -2.504 6.993 -10.610
255 HG LEU 32 HG LEU 32 -2.775 9.462 -10.561
256 1HD1 LEU 32 2HD1 LEU 32 -1.891 9.282 -13.484
257 2HD1 LEU 32 1HD1 LEU 32 -2.461 10.736 -12.681
258 3HD1 LEU 32 3HD1 LEU 32 -0.942 10.008 -12.202
259 1HD2 LEU 32 1HD2 LEU 32 -4.602 7.983 -11.419
260 2HD2 LEU 32 3HD2 LEU 32 -4.624 9.539 -12.245
261 3HD2 LEU 32 2HD2 LEU 32 -3.953 8.123 -13.038
262 H ASN 33 H ASN 33 1.475 9.207 -10.412
263 HA ASN 33 HA ASN 33 1.103 10.046 -7.672
264 1HB ASN 33 2HB ASN 33 2.918 10.847 -9.935
265 2HB ASN 33 1HB ASN 33 2.896 11.830 -8.486
266 1HD2 ASN 33 2HD2 ASN 33 4.901 8.488 -8.346
267 2HD2 ASN 33 1HD2 ASN 33 4.255 9.045 -9.829
268 H ASN 34 H ASN 34 -1.239 10.630 -8.175
269 HA ASN 34 HA ASN 34 -2.648 12.544 -9.280
270 1HB ASN 34 2HB ASN 34 -3.367 11.476 -7.171
271 2HB ASN 34 1HB ASN 34 -2.195 12.388 -6.254
272 1HD2 ASN 34 2HD2 ASN 34 -5.646 14.227 -7.056
273 2HD2 ASN 34 1HD2 ASN 34 -5.376 12.713 -7.834
274 H LYS 35 H LYS 35 -1.860 14.509 -6.675
275 HA LYS 35 HA LYS 35 -0.154 16.410 -8.123
276 1HB LYS 35 2HB LYS 35 -2.290 17.080 -8.984
277 2HB LYS 35 1HB LYS 35 -3.126 16.725 -7.502
278 1HG LYS 35 2HG LYS 35 -1.105 18.991 -7.481
279 2HG LYS 35 1HG LYS 35 -2.626 19.246 -8.313
280 1HD LYS 35 2HD LYS 35 -3.965 18.683 -6.363
281 2HD LYS 35 1HD LYS 35 -2.617 18.087 -5.461
282 1HE LYS 35 2HE LYS 35 -2.977 20.989 -6.295
283 2HE LYS 35 1HE LYS 35 -3.428 20.337 -4.719
284 1HZ LYS 35 1HZ LYS 35 -0.854 19.411 -5.306
285 2HZ LYS 35 3HZ LYS 35 -0.791 21.073 -5.603
286 3HZ LYS 35 2HZ LYS 35 -1.258 20.478 -4.077
287 H VAL 36 H VAL 36 -0.344 14.736 -5.777
288 HA VAL 36 HA VAL 36 0.798 16.552 -3.699
289 HB VAL 36 HB VAL 36 -0.484 15.146 -1.967
290 1HG1 VAL 36 1HG1 VAL 36 -1.231 17.457 -2.608
291 2HG1 VAL 36 3HG1 VAL 36 -2.178 16.760 -3.924
292 3HG1 VAL 36 2HG1 VAL 36 -2.596 16.417 -2.262
293 1HG2 VAL 36 2HG2 VAL 36 -1.151 13.288 -3.543
294 2HG2 VAL 36 1HG2 VAL 36 -2.553 14.046 -2.798
295 3HG2 VAL 36 3HG2 VAL 36 -2.126 14.432 -4.441
296 HA PRO 37 HA PRO 37 3.830 13.033 -3.890
297 1HB PRO 37 2HB PRO 37 5.905 14.851 -4.357
298 2HB PRO 37 1HB PRO 37 5.054 13.961 -5.635
299 1HG PRO 37 2HG PRO 37 4.423 16.753 -4.515
300 2HG PRO 37 1HG PRO 37 4.752 16.317 -6.199
301 1HD PRO 37 2HD PRO 37 2.223 16.472 -5.427
302 2HD PRO 37 1HD PRO 37 2.680 15.028 -6.356
303 HA PRO 38 HA PRO 38 6.306 13.037 -3.537
304 1HB PRO 38 2HB PRO 38 8.470 12.673 -2.064
305 2HB PRO 38 1HB PRO 38 7.960 14.338 -2.398
306 1HG PRO 38 2HG PRO 38 7.374 12.693 0.121
307 2HG PRO 38 1HG PRO 38 8.034 14.323 0.031
308 1HD PRO 38 2HD PRO 38 5.288 13.724 0.339
309 2HD PRO 38 1HD PRO 38 5.882 15.273 -0.277
310 H HIS 39 HN HIP 39 5.924 11.025 -4.084
311 HA HIS 39 HA HIP 39 5.092 9.081 -1.975
312 1HB HIS 39 2HB HIP 39 4.588 9.157 -4.957
313 2HB HIS 39 1HB HIP 39 4.060 7.845 -3.935
314 HD2 HIS 39 HD2 HIP 39 2.958 11.347 -5.077
315 HE1 HIS 39 HE1 HIP 39 0.327 10.234 -2.097
316 HE2 HIS 39 HE2 HIP 39 0.818 11.808 -3.872
317 H ASN 40 H ASN 40 6.971 8.315 -1.226
318 HA ASN 40 HA ASN 40 8.716 6.719 -3.077
319 1HB ASN 40 2HB ASN 40 9.969 8.263 -1.530
320 2HB ASN 40 1HB ASN 40 9.127 7.593 -0.139
321 1HD2 ASN 40 2HD2 ASN 40 11.264 4.618 -1.598
322 2HD2 ASN 40 1HD2 ASN 40 9.911 5.179 -2.446
323 H VAL 41 H VAL 41 7.796 4.701 -3.350
324 HA VAL 41 HA VAL 41 6.607 3.459 -0.900
325 HB VAL 41 HB VAL 41 5.138 2.260 -2.098
326 1HG1 VAL 41 2HG1 VAL 41 4.565 4.699 -1.938
327 2HG1 VAL 41 1HG1 VAL 41 5.394 5.035 -3.438
328 3HG1 VAL 41 3HG1 VAL 41 3.931 4.090 -3.458
329 1HG2 VAL 41 3HG2 VAL 41 6.540 3.197 -4.685
330 2HG2 VAL 41 2HG2 VAL 41 6.492 1.544 -4.103
331 3HG2 VAL 41 1HG2 VAL 41 5.024 2.312 -4.673
332 H VAL 42 H VAL 42 6.991 1.714 -0.166
333 HA VAL 42 HA VAL 42 8.999 -0.188 -1.333
334 HB VAL 42 HB VAL 42 9.215 -0.741 1.253
335 1HG1 VAL 42 3HG1 VAL 42 10.348 1.711 -0.161
336 2HG1 VAL 42 2HG1 VAL 42 11.099 0.902 1.208
337 3HG1 VAL 42 1HG1 VAL 42 10.991 0.090 -0.354
338 1HG2 VAL 42 3HG2 VAL 42 7.500 0.999 1.882
339 2HG2 VAL 42 2HG2 VAL 42 9.086 1.349 2.553
340 3HG2 VAL 42 1HG2 VAL 42 8.501 2.238 1.173
341 H PHE 43 H PHE 43 8.381 -2.374 -1.434
342 HA PHE 43 HA PHE 43 5.621 -3.115 -0.527
343 1HB PHE 43 2HB PHE 43 7.388 -4.329 -2.597
344 2HB PHE 43 1HB PHE 43 6.105 -5.262 -1.884
345 HD1 PHE 43 HD2 PHE 43 5.956 -1.569 -2.757
346 HD2 PHE 43 HD1 PHE 43 4.737 -5.529 -3.718
347 HE1 PHE 43 HE2 PHE 43 4.410 -0.682 -4.433
348 HE2 PHE 43 HE1 PHE 43 3.176 -4.634 -5.379
349 HZ PHE 43 HZ PHE 43 3.005 -2.222 -5.740
350 H ASP 44 H ASP 44 5.548 -5.085 0.993
351 HA ASP 44 HA ASP 44 8.300 -5.519 2.183
352 1HB ASP 44 2HB ASP 44 6.203 -4.328 3.449
353 2HB ASP 44 1HB ASP 44 5.907 -5.985 3.909
354 H ALA 45 H ALA 45 8.384 -7.144 3.855
355 HA ALA 45 HA ALA 45 8.180 -9.815 2.677
356 1HB ALA 45 1HB ALA 45 10.452 -8.870 3.153
357 2HB ALA 45 3HB ALA 45 10.015 -8.667 4.833
358 3HB ALA 45 2HB ALA 45 10.158 -10.285 4.155
359 H ALA 46 H ALA 46 7.475 -8.017 5.599
360 HA ALA 46 HA ALA 46 6.663 -10.290 7.211
361 1HB ALA 46 1HB ALA 46 5.976 -7.292 7.340
362 2HB ALA 46 3HB ALA 46 5.713 -8.426 8.663
363 3HB ALA 46 2HB ALA 46 7.342 -8.051 8.122
364 H LEU 47 H LEU 47 4.922 -7.983 5.260
365 HA LEU 47 HA LEU 47 2.372 -9.520 5.474
366 1HB LEU 47 2HB LEU 47 3.129 -6.833 4.245
367 2HB LEU 47 1HB LEU 47 1.545 -7.556 4.027
368 HG LEU 47 HG LEU 47 1.263 -7.634 6.536
369 1HD1 LEU 47 2HD1 LEU 47 3.800 -5.935 6.511
370 2HD1 LEU 47 1HD1 LEU 47 2.759 -6.180 7.902
371 3HD1 LEU 47 3HD1 LEU 47 3.642 -7.526 7.240
372 1HD2 LEU 47 1HD2 LEU 47 0.355 -5.777 5.181
373 2HD2 LEU 47 3HD2 LEU 47 0.870 -5.198 6.759
374 3HD2 LEU 47 2HD2 LEU 47 1.878 -4.902 5.352
375 H ASN 48 H ASN 48 3.908 -11.079 4.523
376 HA ASN 48 HA ASN 48 3.304 -11.490 1.610
377 1HB ASN 48 2HB ASN 48 5.940 -11.701 2.988
378 2HB ASN 48 1HB ASN 48 5.621 -12.811 1.674
379 1HD2 ASN 48 2HD2 ASN 48 5.547 -9.201 0.158
380 2HD2 ASN 48 1HD2 ASN 48 4.235 -9.687 1.138
381 HA PRO 49 HA PRO 49 1.472 -15.479 3.220
382 1HB PRO 49 2HB PRO 49 1.499 -15.753 0.278
383 2HB PRO 49 1HB PRO 49 0.116 -15.660 1.357
384 1HG PRO 49 2HG PRO 49 1.522 -13.372 -0.090
385 2HG PRO 49 1HG PRO 49 -0.161 -13.514 0.390
386 1HD PRO 49 2HD PRO 49 1.372 -11.851 1.789
387 2HD PRO 49 1HD PRO 49 0.312 -12.948 2.692
388 H ALA 50 H ALA 50 3.861 -14.891 0.740
389 HA ALA 50 HA ALA 50 5.484 -17.238 1.654
390 1HB ALA 50 1HB ALA 50 5.287 -15.840 -1.031
391 2HB ALA 50 3HB ALA 50 6.309 -17.227 -0.698
392 3HB ALA 50 2HB ALA 50 4.559 -17.382 -0.582
393 H LYS 51 H LYS 51 5.818 -14.670 2.905
394 HA LYS 51 HA LYS 51 7.511 -12.890 3.139
395 1HB LYS 51 2HB LYS 51 9.212 -14.121 4.647
396 2HB LYS 51 1HB LYS 51 7.558 -14.075 5.150
397 1HG LYS 51 2HG LYS 51 8.274 -16.451 3.425
398 2HG LYS 51 1HG LYS 51 9.225 -16.345 4.869
399 1HD LYS 51 2HD LYS 51 7.143 -17.726 5.248
400 2HD LYS 51 1HD LYS 51 7.246 -16.350 6.334
401 1HE LYS 51 2HE LYS 51 5.666 -15.072 4.964
402 2HE LYS 51 1HE LYS 51 5.699 -16.347 3.747
403 1HZ LYS 51 3HZ LYS 51 5.013 -17.606 6.141
404 2HZ LYS 51 2HZ LYS 51 4.057 -16.197 6.022
405 3HZ LYS 51 1HZ LYS 51 4.059 -17.302 4.754
406 H SER 52 H SER 52 7.991 -12.793 0.776
407 HA SER 52 HA SER 52 10.818 -13.522 0.098
408 1HB SER 52 2HB SER 52 10.104 -12.942 -2.251
409 2HB SER 52 1HB SER 52 9.186 -14.264 -1.534
410 HG SER 52 HG SER 52 8.095 -11.784 -0.902
411 H ALA 53 H ALA 53 11.496 -11.848 1.563
412 HA ALA 53 HA ALA 53 11.168 -9.046 1.322
413 1HB ALA 53 3HB ALA 53 12.541 -10.204 3.121
414 2HB ALA 53 2HB ALA 53 13.740 -10.623 1.912
415 3HB ALA 53 1HB ALA 53 13.498 -8.942 2.359
416 H ASP 54 H ASP 54 13.330 -11.060 -0.364
417 HA ASP 54 HA ASP 54 14.825 -9.422 -2.018
418 1HB ASP 54 2HB ASP 54 14.756 -11.702 -3.389
419 2HB ASP 54 1HB ASP 54 15.212 -11.858 -1.705
420 H LEU 55 H LEU 55 11.880 -11.040 -3.045
421 HA LEU 55 HA LEU 55 11.412 -9.431 -5.372
422 1HB LEU 55 2HB LEU 55 10.315 -11.608 -5.127
423 2HB LEU 55 1HB LEU 55 9.541 -11.117 -3.640
424 HG LEU 55 HG LEU 55 8.174 -9.415 -4.864
425 1HD1 LEU 55 1HD1 LEU 55 9.548 -10.545 -7.356
426 2HD1 LEU 55 3HD1 LEU 55 8.249 -9.365 -7.354
427 3HD1 LEU 55 2HD1 LEU 55 9.820 -8.932 -6.724
428 1HD2 LEU 55 1HD2 LEU 55 7.346 -11.740 -4.660
429 2HD2 LEU 55 3HD2 LEU 55 6.809 -11.012 -6.167
430 3HD2 LEU 55 2HD2 LEU 55 8.137 -12.160 -6.170
431 H ALA 56 H ALA 56 9.772 -9.355 -2.234
432 HA ALA 56 HA ALA 56 8.120 -7.205 -2.342
433 1HB ALA 56 1HB ALA 56 8.612 -8.522 -0.298
434 2HB ALA 56 3HB ALA 56 10.180 -7.757 -0.161
435 3HB ALA 56 2HB ALA 56 8.719 -6.803 0.058
436 H LYS 57 H LYS 57 11.568 -6.620 -1.607
437 HA LYS 57 HA LYS 57 11.083 -3.760 -2.194
438 1HB LYS 57 2HB LYS 57 13.767 -5.235 -1.754
439 2HB LYS 57 1HB LYS 57 13.552 -3.504 -1.634
440 1HG LYS 57 2HG LYS 57 12.546 -5.680 0.260
441 2HG LYS 57 1HG LYS 57 13.637 -4.360 0.637
442 1HD LYS 57 2HD LYS 57 11.641 -2.757 0.061
443 2HD LYS 57 1HD LYS 57 10.655 -4.203 0.025
444 1HE LYS 57 2HE LYS 57 11.389 -4.689 2.411
445 2HE LYS 57 1HE LYS 57 12.127 -3.084 2.438
446 1HZ LYS 57 2HZ LYS 57 9.482 -2.992 1.330
447 2HZ LYS 57 1HZ LYS 57 9.431 -3.693 2.830
448 3HZ LYS 57 3HZ LYS 57 10.012 -2.176 2.726
449 H SER 58 H SER 58 12.792 -6.296 -4.028
450 HA SER 58 HA SER 58 13.690 -4.482 -6.094
451 1HB SER 58 2HB SER 58 13.784 -6.535 -7.565
452 2HB SER 58 1HB SER 58 14.491 -6.879 -5.975
453 HG SER 58 HG SER 58 12.625 -7.862 -5.343
454 H LEU 59 H LEU 59 10.672 -5.772 -5.363
455 HA LEU 59 HA LEU 59 9.314 -5.110 -7.877
456 1HB LEU 59 2HB LEU 59 8.754 -7.039 -6.277
457 2HB LEU 59 1HB LEU 59 8.147 -5.864 -5.150
458 HG LEU 59 HG LEU 59 6.244 -6.835 -6.362
459 1HD1 LEU 59 3HD1 LEU 59 6.132 -4.337 -5.991
460 2HD1 LEU 59 2HD1 LEU 59 6.771 -4.108 -7.606
461 3HD1 LEU 59 1HD1 LEU 59 5.218 -4.864 -7.394
462 1HD2 LEU 59 1HD2 LEU 59 7.522 -7.588 -8.372
463 2HD2 LEU 59 3HD2 LEU 59 6.084 -6.701 -8.829
464 3HD2 LEU 59 2HD2 LEU 59 7.650 -5.929 -8.913
465 H SER 60 H SER 60 9.071 -3.795 -4.355
466 HA SER 60 HA SER 60 7.552 -1.592 -5.275
467 1HB SER 60 2HB SER 60 8.088 -0.630 -3.132
468 2HB SER 60 1HB SER 60 7.734 -2.368 -3.119
469 HG SER 60 HG SER 60 10.350 -2.122 -3.546
470 H HIS 61 H HIS 61 7.826 0.353 -5.866
471 HA HIS 61 HA HIS 61 10.418 1.210 -6.953
472 1HB HIS 61 2HB HIS 61 8.236 1.447 -8.164
473 2HB HIS 61 1HB HIS 61 7.651 2.529 -6.911
474 HD1 HIS 61 HD1 HIS 61 9.146 4.709 -6.676
475 HD2 HIS 61 HD2 HIS 61 9.534 2.725 -10.205
476 HE1 HIS 61 HE1 HIS 61 10.161 6.340 -8.321
477 H LYS 62 H LYS 62 11.223 1.089 -4.711
478 HA LYS 62 HA LYS 62 10.731 2.955 -2.643
479 1HB LYS 62 2HB LYS 62 12.347 0.899 -2.805
480 2HB LYS 62 1HB LYS 62 13.501 2.125 -3.285
481 1HG LYS 62 2HG LYS 62 12.093 3.102 -0.878
482 2HG LYS 62 1HG LYS 62 12.724 1.509 -0.572
483 1HD LYS 62 2HD LYS 62 14.956 2.086 -0.801
484 2HD LYS 62 1HD LYS 62 14.660 3.419 -1.882
485 1HE LYS 62 2HE LYS 62 13.820 3.512 1.045
486 2HE LYS 62 1HE LYS 62 15.424 4.019 0.518
487 1HZ LYS 62 3HZ LYS 62 13.501 5.096 -1.252
488 2HZ LYS 62 2HZ LYS 62 12.958 5.500 0.250
489 3HZ LYS 62 1HZ LYS 62 14.488 5.990 -0.241
490 H GLN 63 H GLN 63 11.411 4.171 -5.470
491 HA GLN 63 HA GLN 63 13.572 5.903 -4.607
492 1HB GLN 63 2HB GLN 63 11.917 5.827 -7.178
493 2HB GLN 63 1HB GLN 63 13.266 6.923 -6.990
494 1HG GLN 63 2HG GLN 63 14.781 4.911 -6.542
495 2HG GLN 63 1HG GLN 63 13.430 3.855 -6.917
496 1HE2 GLN 63 2HE2 GLN 63 14.211 4.143 -10.302
497 2HE2 GLN 63 1HE2 GLN 63 13.541 3.160 -9.075
498 H LEU 64 H LEU 64 12.874 8.413 -5.722
499 HA LEU 64 HA LEU 64 10.783 9.355 -3.796
500 1HB LEU 64 2HB LEU 64 13.218 10.692 -5.025
501 2HB LEU 64 1HB LEU 64 12.029 11.604 -4.138
502 HG LEU 64 HG LEU 64 13.454 9.195 -2.915
503 1HD1 LEU 64 2HD1 LEU 64 14.033 12.194 -2.683
504 2HD1 LEU 64 1HD1 LEU 64 14.851 10.928 -1.788
505 3HD1 LEU 64 3HD1 LEU 64 15.057 11.046 -3.525
506 1HD2 LEU 64 1HD2 LEU 64 11.942 11.599 -1.756
507 2HD2 LEU 64 3HD2 LEU 64 11.269 9.986 -1.854
508 3HD2 LEU 64 2HD2 LEU 64 12.647 10.299 -0.819
509 H LEU 65 H LEU 65 8.944 8.935 -5.201
510 HA LEU 65 HA LEU 65 8.742 10.396 -7.737
511 1HB LEU 65 2HB LEU 65 6.638 8.989 -6.006
512 2HB LEU 65 1HB LEU 65 6.333 9.608 -7.599
513 HG LEU 65 HG LEU 65 8.581 7.594 -7.093
514 1HD1 LEU 65 1HD1 LEU 65 6.394 6.606 -6.393
515 2HD1 LEU 65 3HD1 LEU 65 5.704 6.988 -7.954
516 3HD1 LEU 65 2HD1 LEU 65 7.022 5.850 -7.842
517 1HD2 LEU 65 2HD2 LEU 65 6.940 8.365 -9.562
518 2HD2 LEU 65 1HD2 LEU 65 8.591 8.878 -9.258
519 3HD2 LEU 65 3HD2 LEU 65 8.237 7.187 -9.530
520 H MET 66 H MET 66 9.273 12.442 -7.153
521 HA MET 66 HA MET 66 7.538 14.044 -5.332
522 1HB MET 66 2HB MET 66 10.067 14.652 -6.822
523 2HB MET 66 1HB MET 66 9.281 15.771 -5.729
524 1HG MET 66 2HG MET 66 9.532 14.106 -3.881
525 2HG MET 66 1HG MET 66 10.305 12.988 -4.967
526 1HE MET 66 2HE MET 66 12.278 13.098 -5.984
527 2HE MET 66 1HE MET 66 12.895 14.698 -6.398
528 3HE MET 66 3HE MET 66 13.724 13.684 -5.203
529 H SER 67 H SER 67 6.774 13.166 -7.959
530 HA SER 67 HA SER 67 6.206 15.722 -9.392
531 1HB SER 67 2HB SER 67 6.300 12.864 -10.238
532 2HB SER 67 1HB SER 67 5.277 13.960 -11.175
533 HG SER 67 HG SER 67 7.002 14.807 -11.933
534 HA PRO 68 HA PRO 68 1.736 14.815 -9.208
535 1HB PRO 68 2HB PRO 68 0.771 16.616 -10.908
536 2HB PRO 68 1HB PRO 68 1.578 17.204 -9.447
537 1HG PRO 68 2HG PRO 68 2.884 16.772 -12.207
538 2HG PRO 68 1HG PRO 68 2.846 18.280 -11.293
539 1HD PRO 68 2HD PRO 68 4.959 16.490 -11.130
540 2HD PRO 68 1HD PRO 68 4.485 17.467 -9.719
541 H GLY 69 H GLY 69 0.235 13.964 -10.867
542 1HA GLY 69 2HA GLY 69 -0.265 12.247 -12.454
543 2HA GLY 69 1HA GLY 69 0.697 13.218 -13.539
544 H GLN 70 H GLN 70 3.115 12.739 -13.337
545 HA GLN 70 HA GLN 70 4.197 10.656 -14.403
546 1HB GLN 70 2HB GLN 70 4.992 11.942 -11.848
547 2HB GLN 70 1HB GLN 70 5.903 10.520 -12.271
548 1HG GLN 70 2HG GLN 70 7.123 12.385 -13.213
549 2HG GLN 70 1HG GLN 70 6.391 11.617 -14.597
550 1HE2 GLN 70 2HE2 GLN 70 4.577 14.545 -15.349
551 2HE2 GLN 70 1HE2 GLN 70 4.774 12.892 -15.745
552 H SER 71 H SER 71 3.044 8.735 -14.588
553 HA SER 71 HA SER 71 3.020 6.954 -12.163
554 1HB SER 71 2HB SER 71 0.804 7.256 -13.345
555 2HB SER 71 1HB SER 71 1.499 6.441 -14.745
556 HG SER 71 HG SER 71 0.585 4.950 -13.325
557 H THR 72 H THR 72 4.017 5.116 -12.090
558 HA THR 72 HA THR 72 5.725 4.206 -14.428
559 HB THR 72 HB THR 72 7.095 4.863 -12.441
560 HG1 THR 72 HG1 THR 72 8.234 3.148 -13.026
561 1HG2 THR 72 1HG2 THR 72 5.483 3.914 -10.621
562 2HG2 THR 72 3HG2 THR 72 5.918 2.316 -11.220
563 3HG2 THR 72 2HG2 THR 72 7.141 3.357 -10.522
564 H SER 73 H SER 73 5.682 1.872 -14.854
565 HA SER 73 HA SER 73 3.302 0.425 -13.660
566 1HB SER 73 2HB SER 73 3.006 -0.700 -15.762
567 2HB SER 73 1HB SER 73 3.174 1.030 -16.062
568 HG SER 73 HG SER 73 5.606 -0.364 -15.950
569 H THR 74 H THR 74 3.525 -1.327 -12.531
570 HA THR 74 HA THR 74 6.024 -3.002 -12.828
571 HB THR 74 HB THR 74 5.893 -1.924 -10.540
572 HG1 THR 74 HG1 THR 74 5.518 -4.467 -9.860
573 1HG2 THR 74 2HG2 THR 74 3.293 -2.166 -10.296
574 2HG2 THR 74 1HG2 THR 74 3.565 -3.898 -10.193
575 3HG2 THR 74 3HG2 THR 74 4.243 -2.828 -8.977
576 H THR 75 H THR 75 5.833 -5.189 -12.580
577 HA THR 75 HA THR 75 3.148 -6.422 -13.251
578 HB THR 75 HB THR 75 5.826 -7.545 -14.115
579 HG1 THR 75 HG1 THR 75 4.584 -5.396 -14.810
580 1HG2 THR 75 3HG2 THR 75 2.941 -7.844 -15.130
581 2HG2 THR 75 2HG2 THR 75 4.352 -8.661 -15.750
582 3HG2 THR 75 1HG2 THR 75 3.702 -9.112 -14.191
583 H PHE 76 H PHE 76 2.773 -8.605 -12.480
584 HA PHE 76 HA PHE 76 4.326 -9.357 -9.990
585 1HB PHE 76 2HB PHE 76 1.343 -9.501 -10.576
586 2HB PHE 76 1HB PHE 76 2.089 -10.163 -9.120
587 HD1 PHE 76 HD1 PHE 76 3.394 -8.649 -7.621
588 HD2 PHE 76 HD2 PHE 76 1.153 -7.123 -10.896
589 HE1 PHE 76 HE1 PHE 76 3.568 -6.397 -6.678
590 HE2 PHE 76 HE2 PHE 76 1.316 -4.872 -9.969
591 HZ PHE 76 HZ PHE 76 2.528 -4.490 -7.854
592 HA PRO 77 HA PRO 77 4.352 -13.106 -12.739
593 1HB PRO 77 2HB PRO 77 7.035 -12.870 -13.535
594 2HB PRO 77 1HB PRO 77 5.605 -12.332 -14.423
595 1HG PRO 77 2HG PRO 77 7.594 -10.518 -13.302
596 2HG PRO 77 1HG PRO 77 5.962 -10.029 -13.754
597 1HD PRO 77 2HD PRO 77 6.889 -10.999 -10.975
598 2HD PRO 77 1HD PRO 77 5.955 -9.544 -11.340
599 H ALA 78 H ALA 78 6.448 -14.839 -12.960
600 HA ALA 78 HA ALA 78 7.408 -16.672 -11.694
601 1HB ALA 78 3HB ALA 78 9.087 -14.720 -11.102
602 2HB ALA 78 2HB ALA 78 8.036 -14.309 -9.754
603 3HB ALA 78 1HB ALA 78 8.876 -15.841 -9.762
604 H ASP 79 H ASP 79 5.218 -16.608 -11.947
605 HA ASP 79 HA ASP 79 3.035 -15.914 -10.767
606 1HB ASP 79 2HB ASP 79 3.885 -18.864 -11.624
607 2HB ASP 79 1HB ASP 79 2.291 -18.235 -11.957
608 H ALA 80 H ALA 80 3.868 -15.360 -9.187
609 HA ALA 80 HA ALA 80 4.265 -16.394 -6.730
610 1HB ALA 80 3HB ALA 80 4.624 -14.087 -7.495
611 2HB ALA 80 2HB ALA 80 2.915 -13.792 -7.640
612 3HB ALA 80 1HB ALA 80 3.643 -13.972 -6.047
613 HA PRO 81 HA PRO 81 0.856 -18.559 -5.284
614 1HB PRO 81 2HB PRO 81 1.257 -18.591 -2.598
615 2HB PRO 81 1HB PRO 81 2.435 -19.291 -3.718
616 1HG PRO 81 2HG PRO 81 2.413 -16.404 -2.626
617 2HG PRO 81 1HG PRO 81 3.708 -17.600 -2.431
618 1HD PRO 81 2HD PRO 81 3.860 -15.855 -4.457
619 2HD PRO 81 1HD PRO 81 4.228 -17.568 -4.797
620 H ALA 82 H ALA 82 -0.547 -16.888 -6.116
621 HA ALA 82 HA ALA 82 -2.071 -14.993 -5.773
622 1HB ALA 82 2HB ALA 82 -3.296 -17.722 -5.217
623 2HB ALA 82 1HB ALA 82 -4.206 -16.314 -5.721
624 3HB ALA 82 3HB ALA 82 -3.004 -16.998 -6.795
625 H GLY 83 H GLY 83 -0.919 -14.368 -3.598
626 1HA GLY 83 2HA GLY 83 -3.047 -14.018 -1.508
627 2HA GLY 83 1HA GLY 83 -1.359 -14.284 -1.080
628 H GLU 84 H GLU 84 -1.318 -12.205 0.009
629 HA GLU 84 HA GLU 84 -1.569 -9.809 -1.736
630 1HB GLU 84 2HB GLU 84 -1.827 -8.551 0.334
631 2HB GLU 84 1HB GLU 84 -2.926 -9.913 0.374
632 1HG GLU 84 2HG GLU 84 -1.502 -11.160 1.929
633 2HG GLU 84 1HG GLU 84 -0.141 -10.079 1.707
634 H TYR 85 H TYR 85 -0.039 -8.498 -2.144
635 HA TYR 85 HA TYR 85 2.758 -9.002 -1.091
636 1HB TYR 85 2HB TYR 85 1.876 -8.039 -3.817
637 2HB TYR 85 1HB TYR 85 3.533 -8.294 -3.300
638 HD1 TYR 85 HD1 TYR 85 4.272 -10.631 -2.627
639 HD2 TYR 85 HD2 TYR 85 0.439 -9.893 -4.302
640 HE1 TYR 85 HE1 TYR 85 3.991 -13.047 -3.091
641 HE2 TYR 85 HE2 TYR 85 0.184 -12.318 -4.746
642 HH TYR 85 HH TYR 85 1.420 -14.246 -5.015
643 H THR 86 H THR 86 0.927 -7.325 0.213
644 HA THR 86 HA THR 86 0.455 -4.753 0.113
645 HB THR 86 HB THR 86 1.887 -6.010 2.471
646 HG1 THR 86 HG1 THR 86 -0.090 -6.863 2.490
647 1HG2 THR 86 2HG2 THR 86 -0.021 -3.599 2.225
648 2HG2 THR 86 1HG2 THR 86 0.613 -4.236 3.724
649 3HG2 THR 86 3HG2 THR 86 1.675 -3.402 2.615
650 H PHE 87 H PHE 87 1.082 -2.867 -0.230
651 HA PHE 87 HA PHE 87 3.917 -2.135 -0.196
652 1HB PHE 87 2HB PHE 87 3.570 -0.752 -1.986
653 2HB PHE 87 1HB PHE 87 3.255 -2.481 -2.202
654 HD1 PHE 87 HD1 PHE 87 1.653 0.765 -1.810
655 HD2 PHE 87 HD2 PHE 87 1.282 -3.263 -2.999
656 HE1 PHE 87 HE1 PHE 87 -0.465 1.307 -2.797
657 HE2 PHE 87 HE2 PHE 87 -0.860 -2.794 -4.017
658 HZ PHE 87 HZ PHE 87 -1.801 -0.474 -3.954
659 H TYR 88 H TYR 88 4.588 -0.361 1.029
660 HA TYR 88 HA TYR 88 2.544 1.589 1.908
661 1HB TYR 88 2HB TYR 88 3.934 1.911 3.924
662 2HB TYR 88 1HB TYR 88 3.177 0.347 3.727
663 HD1 TYR 88 HD2 TYR 88 4.690 -1.492 2.533
664 HD2 TYR 88 HD1 TYR 88 6.181 1.967 4.534
665 HE1 TYR 88 HE2 TYR 88 6.844 -2.569 2.793
666 HE2 TYR 88 HE1 TYR 88 8.332 0.857 4.799
667 HH TYR 88 HH TYR 88 8.671 -2.388 4.486
668 H CYS 89 H CYS 89 2.930 3.767 1.733
669 HA CYS 89 HA CYS 89 5.361 4.719 0.258
670 1HB CYS 89 2HB CYS 89 2.996 4.998 -0.654
671 2HB CYS 89 1HB CYS 89 2.719 6.004 0.736
672 H GLU 90 H GLU 90 6.233 4.457 2.675
673 HA GLU 90 HA GLU 90 6.099 5.753 4.865
674 1HB GLU 90 2HB GLU 90 8.432 5.805 2.925
675 2HB GLU 90 1HB GLU 90 8.630 6.516 4.514
676 1HG GLU 90 2HG GLU 90 7.599 3.648 4.114
677 2HG GLU 90 1HG GLU 90 9.289 4.016 4.348
678 HA PRO 91 HA PRO 91 7.142 10.451 4.025
679 1HB PRO 91 2HB PRO 91 6.368 11.213 1.434
680 2HB PRO 91 1HB PRO 91 8.034 10.926 1.948
681 1HG PRO 91 2HG PRO 91 6.071 8.929 0.687
682 2HG PRO 91 1HG PRO 91 7.729 9.301 0.175
683 1HD PRO 91 2HD PRO 91 7.354 7.139 1.686
684 2HD PRO 91 1HD PRO 91 8.647 8.242 2.219
685 H HIS 92 HN HIP 92 4.531 8.664 2.868
686 HA HIS 92 HA HIP 92 2.535 10.673 3.819
687 1HB HIS 92 2HB HIP 92 2.369 8.487 1.708
688 2HB HIS 92 1HB HIP 92 0.984 9.456 2.188
689 HD2 HIS 92 HD2 HIP 92 2.372 12.431 2.240
690 HE1 HIS 92 HE1 HIP 92 3.358 11.561 -1.708
691 HE2 HIS 92 HE2 HIP 92 3.082 13.307 -0.051
692 H ARG 93 H ARG 93 3.867 8.541 5.548
693 HA ARG 93 HA ARG 93 1.621 6.688 6.105
694 1HB ARG 93 2HB ARG 93 3.050 5.780 7.860
695 2HB ARG 93 1HB ARG 93 3.991 5.974 6.398
696 1HG ARG 93 2HG ARG 93 5.206 7.846 7.255
697 2HG ARG 93 1HG ARG 93 4.032 8.158 8.519
698 1HD ARG 93 2HD ARG 93 4.663 6.210 9.742
699 2HD ARG 93 1HD ARG 93 5.538 5.520 8.377
700 HE ARG 93 HE ARG 93 6.435 8.123 9.677
701 1HH1 ARG 93 1HH2 ARG 93 7.195 6.153 7.347
702 2HH1 ARG 93 2HH2 ARG 93 8.773 5.759 7.797
703 1HH2 ARG 93 2HH1 ARG 93 8.268 7.215 10.899
704 2HH2 ARG 93 1HH1 ARG 93 9.391 6.368 9.864
705 H GLY 94 H GLY 94 0.821 9.200 6.260
706 1HA GLY 94 2HA GLY 94 0.033 9.712 9.148
707 2HA GLY 94 1HA GLY 94 0.179 11.026 7.960
708 H ALA 95 H ALA 95 -0.942 10.153 5.830
709 HA ALA 95 HA ALA 95 -3.822 9.679 6.525
710 1HB ALA 95 2HB ALA 95 -3.158 11.723 5.112
711 2HB ALA 95 1HB ALA 95 -2.443 10.629 3.927
712 3HB ALA 95 3HB ALA 95 -4.172 10.612 4.202
713 H GLY 96 H GLY 96 -2.586 7.692 7.079
714 1HA GLY 96 2HA GLY 96 -1.662 5.472 6.555
715 2HA GLY 96 1HA GLY 96 -3.372 5.323 6.240
716 H MET 97 H MET 97 -0.605 6.569 4.339
717 HA MET 97 HA MET 97 -1.777 5.449 1.935
718 1HB MET 97 2HB MET 97 -0.486 7.582 2.090
719 2HB MET 97 1HB MET 97 0.982 6.662 2.380
720 1HG MET 97 2HG MET 97 0.864 5.655 0.143
721 2HG MET 97 1HG MET 97 -0.787 6.105 0.019
722 1HE MET 97 2HE MET 97 -1.253 6.865 -1.761
723 2HE MET 97 1HE MET 97 -1.081 8.531 -2.208
724 3HE MET 97 3HE MET 97 0.032 7.313 -2.869
725 H VAL 98 H VAL 98 -1.854 3.327 2.943
726 HA VAL 98 HA VAL 98 0.433 1.514 2.161
727 HB VAL 98 HB VAL 98 -1.660 1.081 4.240
728 1HG1 VAL 98 1HG1 VAL 98 0.778 -0.571 3.378
729 2HG1 VAL 98 3HG1 VAL 98 -0.241 -0.917 4.767
730 3HG1 VAL 98 2HG1 VAL 98 -0.897 -1.039 3.148
731 1HG2 VAL 98 2HG2 VAL 98 1.351 1.638 4.399
732 2HG2 VAL 98 1HG2 VAL 98 0.086 2.761 4.868
733 3HG2 VAL 98 3HG2 VAL 98 0.311 1.271 5.766
734 H GLY 99 H GLY 99 -0.154 0.040 0.392
735 1HA GLY 99 2HA GLY 99 -3.104 -0.441 -0.099
736 2HA GLY 99 1HA GLY 99 -1.969 -0.271 -1.414
737 H LYS 100 H LYS 100 -3.694 -2.473 -0.840
738 HA LYS 100 HA LYS 100 -1.673 -4.647 -0.302
739 1HB LYS 100 2HB LYS 100 -4.610 -4.524 0.399
740 2HB LYS 100 1HB LYS 100 -3.637 -5.975 0.551
741 1HG LYS 100 2HG LYS 100 -1.985 -4.361 1.916
742 2HG LYS 100 1HG LYS 100 -3.366 -3.303 2.025
743 1HD LYS 100 2HD LYS 100 -3.202 -4.763 4.037
744 2HD LYS 100 1HD LYS 100 -4.685 -5.116 3.165
745 1HE LYS 100 2HE LYS 100 -3.842 -7.165 2.309
746 2HE LYS 100 1HE LYS 100 -2.189 -6.667 2.499
747 1HZ LYS 100 2HZ LYS 100 -3.404 -6.686 5.098
748 2HZ LYS 100 1HZ LYS 100 -3.686 -8.167 4.246
749 3HZ LYS 100 3HZ LYS 100 -2.174 -7.662 4.410
750 H ILE 101 H ILE 101 -1.438 -4.336 -2.842
751 HA ILE 101 HA ILE 101 -3.377 -5.512 -4.553
752 HB ILE 101 HB ILE 101 -0.835 -4.538 -5.155
753 1HG1 ILE 101 2HG1 ILE 101 -2.693 -6.433 -6.614
754 2HG1 ILE 101 1HG1 ILE 101 -2.451 -4.723 -6.865
755 1HG2 ILE 101 1HG2 ILE 101 0.332 -6.652 -4.262
756 2HG2 ILE 101 3HG2 ILE 101 -0.522 -7.562 -5.507
757 3HG2 ILE 101 2HG2 ILE 101 0.641 -6.346 -5.961
758 1HD1 ILE 101 1HD1 ILE 101 -0.150 -5.202 -7.844
759 2HD1 ILE 101 3HD1 ILE 101 -0.437 -6.915 -7.662
760 3HD1 ILE 101 2HD1 ILE 101 -1.407 -6.004 -8.744
761 H THR 102 H THR 102 -4.286 -7.303 -4.476
762 HA THR 102 HA THR 102 -2.976 -9.775 -3.274
763 HB THR 102 HB THR 102 -5.976 -9.622 -3.808
764 HG1 THR 102 HG1 THR 102 -4.554 -7.934 -2.157
765 1HG2 THR 102 1HG2 THR 102 -4.284 -10.601 -1.454
766 2HG2 THR 102 3HG2 THR 102 -5.989 -10.913 -1.697
767 3HG2 THR 102 2HG2 THR 102 -4.803 -11.662 -2.753
768 H VAL 103 H VAL 103 -2.810 -11.556 -4.661
769 HA VAL 103 HA VAL 103 -3.772 -11.068 -7.501
770 HB VAL 103 HB VAL 103 -1.543 -12.985 -6.736
771 1HG1 VAL 103 3HG1 VAL 103 -2.411 -13.045 -9.044
772 2HG1 VAL 103 2HG1 VAL 103 -2.088 -11.331 -9.199
773 3HG1 VAL 103 1HG1 VAL 103 -0.754 -12.447 -9.007
774 1HG2 VAL 103 1HG2 VAL 103 -1.276 -9.996 -7.188
775 2HG2 VAL 103 3HG2 VAL 103 -0.950 -10.815 -5.704
776 3HG2 VAL 103 2HG2 VAL 103 0.075 -11.109 -7.097
777 H ALA 104 H ALA 104 -5.352 -12.302 -8.281
778 HA ALA 104 HA ALA 104 -5.715 -15.066 -7.130
779 1HB ALA 104 2HB ALA 104 -7.859 -12.958 -7.667
780 2HB ALA 104 1HB ALA 104 -8.193 -14.597 -7.123
781 3HB ALA 104 3HB ALA 104 -7.286 -13.501 -6.095
782 H GLY 105 HN GLY 105 -7.553 -13.480 -9.633
783 1HA GLY 105 2HA GLY 105 -6.780 -15.423 -11.756
784 2HA GLY 105 1HA GLY 105 -8.479 -15.221 -11.355
No H/Q in entry = 784
Start of MODEL 18
1 1H GLU 1 1H GLU 1 -1.758 -7.553 -16.006
2 2H GLU 1 3H GLU 1 -2.716 -8.597 -16.824
3 3H GLU 1 2H GLU 1 -1.153 -8.291 -17.431
4 HA GLU 1 HA GLU 1 -2.034 -6.532 -18.621
5 1HB GLU 1 2HB GLU 1 -4.060 -7.991 -18.590
6 2HB GLU 1 1HB GLU 1 -4.513 -7.299 -17.042
7 1HG GLU 1 2HG GLU 1 -4.882 -5.071 -18.128
8 2HG GLU 1 1HG GLU 1 -4.362 -5.729 -19.677
9 H THR 2 H THR 2 -2.684 -4.093 -18.199
10 HA THR 2 HA THR 2 -1.965 -3.340 -15.412
11 HB THR 2 HB THR 2 -0.427 -2.413 -17.273
12 HG1 THR 2 HG1 THR 2 -0.254 -0.903 -15.797
13 1HG2 THR 2 3HG2 THR 2 -2.361 -1.614 -18.833
14 2HG2 THR 2 2HG2 THR 2 -2.722 -0.446 -17.575
15 3HG2 THR 2 1HG2 THR 2 -1.165 -0.410 -18.363
16 H TYR 3 H TYR 3 -2.988 -2.240 -14.194
17 HA TYR 3 HA TYR 3 -5.626 -0.987 -14.882
18 1HB TYR 3 2HB TYR 3 -4.608 -2.119 -12.227
19 2HB TYR 3 1HB TYR 3 -6.258 -1.618 -12.580
20 HD1 TYR 3 HD2 TYR 3 -6.623 -2.697 -15.333
21 HD2 TYR 3 HD1 TYR 3 -4.787 -4.526 -11.944
22 HE1 TYR 3 HE2 TYR 3 -7.137 -4.891 -16.248
23 HE2 TYR 3 HE1 TYR 3 -5.316 -6.719 -12.893
24 HH TYR 3 HH TYR 3 -6.791 -6.952 -16.104
25 H THR 4 H THR 4 -5.832 1.312 -14.252
26 HA THR 4 HA THR 4 -3.315 2.630 -13.408
27 HB THR 4 HB THR 4 -4.551 4.693 -14.247
28 HG1 THR 4 HG1 THR 4 -6.598 3.778 -13.796
29 1HG2 THR 4 3HG2 THR 4 -3.278 3.172 -15.941
30 2HG2 THR 4 2HG2 THR 4 -4.804 2.328 -16.167
31 3HG2 THR 4 1HG2 THR 4 -4.676 4.013 -16.604
32 H VAL 5 H VAL 5 -3.188 2.642 -11.197
33 HA VAL 5 HA VAL 5 -5.514 3.719 -9.687
34 HB VAL 5 HB VAL 5 -4.486 2.537 -7.793
35 1HG1 VAL 5 1HG1 VAL 5 -6.228 1.443 -9.235
36 2HG1 VAL 5 3HG1 VAL 5 -4.965 0.801 -10.263
37 3HG1 VAL 5 2HG1 VAL 5 -5.103 0.249 -8.602
38 1HG2 VAL 5 1HG2 VAL 5 -2.113 2.433 -8.601
39 2HG2 VAL 5 3HG2 VAL 5 -2.734 0.843 -8.208
40 3HG2 VAL 5 2HG2 VAL 5 -2.607 1.343 -9.877
41 H LYS 6 H LYS 6 -5.020 4.899 -7.780
42 HA LYS 6 HA LYS 6 -2.645 6.735 -8.101
43 1HB LYS 6 2HB LYS 6 -5.457 7.321 -7.174
44 2HB LYS 6 1HB LYS 6 -4.154 8.478 -6.993
45 1HG LYS 6 2HG LYS 6 -3.807 8.524 -9.455
46 2HG LYS 6 1HG LYS 6 -4.956 7.226 -9.671
47 1HD LYS 6 2HD LYS 6 -6.051 9.364 -10.252
48 2HD LYS 6 1HD LYS 6 -6.825 8.655 -8.864
49 1HE LYS 6 2HE LYS 6 -4.715 10.804 -8.595
50 2HE LYS 6 1HE LYS 6 -6.417 11.197 -8.767
51 1HZ LYS 6 1HZ LYS 6 -6.141 9.127 -6.818
52 2HZ LYS 6 3HZ LYS 6 -5.147 10.339 -6.358
53 3HZ LYS 6 2HZ LYS 6 -6.778 10.588 -6.593
54 H LEU 7 H LEU 7 -1.549 7.453 -6.506
55 HA LEU 7 HA LEU 7 -1.808 6.232 -3.785
56 1HB LEU 7 2HB LEU 7 0.786 6.788 -3.887
57 2HB LEU 7 1HB LEU 7 0.188 5.369 -4.742
58 HG LEU 7 HG LEU 7 0.222 6.598 -6.867
59 1HD1 LEU 7 1HD1 LEU 7 1.308 8.853 -5.142
60 2HD1 LEU 7 3HD1 LEU 7 1.192 8.789 -6.885
61 3HD1 LEU 7 2HD1 LEU 7 -0.256 8.874 -5.938
62 1HD2 LEU 7 3HD2 LEU 7 2.312 5.477 -6.069
63 2HD2 LEU 7 2HD2 LEU 7 2.667 6.927 -6.997
64 3HD2 LEU 7 1HD2 LEU 7 2.767 6.960 -5.251
65 H GLY 8 H GLY 8 -3.322 7.994 -3.651
66 1HA GLY 8 2HA GLY 8 -3.292 9.803 -1.811
67 2HA GLY 8 1HA GLY 8 -2.175 10.670 -2.895
68 H SER 9 H SER 9 -5.084 11.076 -1.999
69 HA SER 9 HA SER 9 -6.363 10.972 -4.673
70 1HB SER 9 2HB SER 9 -8.490 11.358 -3.503
71 2HB SER 9 1HB SER 9 -7.584 10.137 -2.618
72 HG SER 9 HG SER 9 -6.572 12.057 -1.520
73 H ASP 10 H ASP 10 -7.877 12.606 -5.186
74 HA ASP 10 HA ASP 10 -6.489 15.204 -5.400
75 1HB ASP 10 2HB ASP 10 -7.250 14.116 -7.445
76 2HB ASP 10 1HB ASP 10 -8.876 13.872 -6.812
77 H LYS 11 H LYS 11 -9.566 14.003 -4.297
78 HA LYS 11 HA LYS 11 -10.066 16.604 -2.837
79 1HB LYS 11 2HB LYS 11 -12.078 14.707 -3.978
80 2HB LYS 11 1HB LYS 11 -12.431 16.196 -3.133
81 1HG LYS 11 2HG LYS 11 -10.707 15.993 -5.653
82 2HG LYS 11 1HG LYS 11 -12.388 16.429 -5.678
83 1HD LYS 11 2HD LYS 11 -11.996 18.507 -4.449
84 2HD LYS 11 1HD LYS 11 -10.350 18.084 -4.053
85 1HE LYS 11 2HE LYS 11 -11.190 18.388 -6.922
86 2HE LYS 11 1HE LYS 11 -10.662 19.769 -5.960
87 1HZ LYS 11 1HZ LYS 11 -8.883 17.521 -5.599
88 2HZ LYS 11 3HZ LYS 11 -9.087 17.775 -7.182
89 3HZ LYS 11 2HZ LYS 11 -8.452 18.991 -6.257
90 H GLY 12 H GLY 12 -8.847 13.872 -1.695
91 1HA GLY 12 2HA GLY 12 -10.653 13.819 0.725
92 2HA GLY 12 1HA GLY 12 -9.962 12.353 0.077
93 H LEU 13 H LEU 13 -7.523 12.587 -0.060
94 HA LEU 13 HA LEU 13 -5.811 14.020 1.632
95 1HB LEU 13 2HB LEU 13 -7.579 12.468 3.265
96 2HB LEU 13 1HB LEU 13 -6.142 11.510 3.252
97 HG LEU 13 HG LEU 13 -6.185 13.017 5.186
98 1HD1 LEU 13 1HD1 LEU 13 -4.098 14.011 3.193
99 2HD1 LEU 13 3HD1 LEU 13 -4.075 14.257 4.923
100 3HD1 LEU 13 2HD1 LEU 13 -3.912 12.638 4.298
101 1HD2 LEU 13 2HD2 LEU 13 -7.607 14.768 4.259
102 2HD2 LEU 13 1HD2 LEU 13 -6.142 15.469 4.911
103 3HD2 LEU 13 3HD2 LEU 13 -6.343 15.301 3.180
104 H LEU 14 H LEU 14 -4.089 12.114 2.619
105 HA LEU 14 HA LEU 14 -2.855 11.054 0.146
106 1HB LEU 14 2HB LEU 14 -1.914 11.329 3.031
107 2HB LEU 14 1HB LEU 14 -0.949 10.504 1.828
108 HG LEU 14 HG LEU 14 -1.901 13.387 1.447
109 1HD1 LEU 14 3HD1 LEU 14 -0.337 13.143 3.425
110 2HD1 LEU 14 2HD1 LEU 14 0.809 12.295 2.387
111 3HD1 LEU 14 1HD1 LEU 14 0.422 13.973 2.083
112 1HD2 LEU 14 2HD2 LEU 14 0.309 11.697 0.146
113 2HD2 LEU 14 1HD2 LEU 14 -1.215 12.092 -0.626
114 3HD2 LEU 14 3HD2 LEU 14 -0.075 13.358 -0.243
115 H VAL 15 H VAL 15 -4.845 9.684 0.207
116 HA VAL 15 HA VAL 15 -4.346 6.975 1.409
117 HB VAL 15 HB VAL 15 -6.406 8.171 2.107
118 1HG1 VAL 15 2HG1 VAL 15 -7.173 8.012 -0.852
119 2HG1 VAL 15 1HG1 VAL 15 -8.229 8.537 0.439
120 3HG1 VAL 15 3HG1 VAL 15 -6.823 9.490 0.022
121 1HG2 VAL 15 2HG2 VAL 15 -6.507 5.654 1.951
122 2HG2 VAL 15 1HG2 VAL 15 -8.050 6.419 1.642
123 3HG2 VAL 15 3HG2 VAL 15 -7.128 5.804 0.306
124 H PHE 16 H PHE 16 -5.528 5.260 -0.268
125 HA PHE 16 HA PHE 16 -4.429 5.870 -3.005
126 1HB PHE 16 2HB PHE 16 -4.633 3.212 -1.544
127 2HB PHE 16 1HB PHE 16 -4.185 3.338 -3.232
128 HD1 PHE 16 HD1 PHE 16 -3.161 4.531 0.165
129 HD2 PHE 16 HD2 PHE 16 -1.935 3.564 -3.787
130 HE1 PHE 16 HE1 PHE 16 -0.824 4.797 0.829
131 HE2 PHE 16 HE2 PHE 16 0.419 3.823 -3.117
132 HZ PHE 16 HZ PHE 16 0.977 4.444 -0.804
133 H GLU 17 H GLU 17 -5.550 5.509 -4.739
134 HA GLU 17 HA GLU 17 -8.435 4.692 -4.534
135 1HB GLU 17 2HB GLU 17 -7.117 6.516 -6.521
136 2HB GLU 17 1HB GLU 17 -8.802 6.091 -6.534
137 1HG GLU 17 2HG GLU 17 -9.323 7.661 -4.891
138 2HG GLU 17 1HG GLU 17 -8.026 7.112 -3.850
139 HA PRO 18 HA PRO 18 -9.063 2.925 -4.246
140 1HB PRO 18 2HB PRO 18 -10.340 0.740 -4.860
141 2HB PRO 18 1HB PRO 18 -10.550 2.163 -5.901
142 1HG PRO 18 2HG PRO 18 -8.771 -0.279 -6.357
143 2HG PRO 18 1HG PRO 18 -9.809 0.544 -7.526
144 1HD PRO 18 2HD PRO 18 -7.009 1.036 -7.086
145 2HD PRO 18 1HD PRO 18 -8.095 2.051 -8.067
146 H ALA 19 H ALA 19 -7.791 2.629 -2.556
147 HA ALA 19 HA ALA 19 -5.765 1.527 -1.547
148 1HB ALA 19 1HB ALA 19 -7.636 2.268 -0.154
149 2HB ALA 19 3HB ALA 19 -8.509 0.779 -0.472
150 3HB ALA 19 2HB ALA 19 -7.033 0.745 0.478
151 H LYS 20 H LYS 20 -8.148 -0.929 -2.230
152 HA LYS 20 HA LYS 20 -5.980 -3.015 -2.078
153 1HB LYS 20 2HB LYS 20 -7.511 -4.543 -1.158
154 2HB LYS 20 1HB LYS 20 -7.878 -3.018 -0.390
155 1HG LYS 20 2HG LYS 20 -10.036 -3.678 -0.910
156 2HG LYS 20 1HG LYS 20 -9.632 -2.767 -2.351
157 1HD LYS 20 2HD LYS 20 -8.682 -5.188 -3.223
158 2HD LYS 20 1HD LYS 20 -9.760 -5.795 -1.990
159 1HE LYS 20 2HE LYS 20 -11.677 -4.761 -2.978
160 2HE LYS 20 1HE LYS 20 -10.674 -3.797 -4.058
161 1HZ LYS 20 2HZ LYS 20 -9.943 -6.509 -4.484
162 2HZ LYS 20 1HZ LYS 20 -11.619 -6.458 -4.508
163 3HZ LYS 20 3HZ LYS 20 -10.692 -5.471 -5.525
164 H LEU 21 H LEU 21 -5.324 -3.587 -4.012
165 HA LEU 21 HA LEU 21 -7.135 -3.647 -6.411
166 1HB LEU 21 2HB LEU 21 -4.808 -2.553 -6.458
167 2HB LEU 21 1HB LEU 21 -4.165 -4.154 -6.316
168 HG LEU 21 HG LEU 21 -5.567 -2.906 -8.710
169 1HD1 LEU 21 2HD1 LEU 21 -3.168 -4.716 -8.342
170 2HD1 LEU 21 1HD1 LEU 21 -3.720 -4.107 -9.887
171 3HD1 LEU 21 3HD1 LEU 21 -3.137 -3.005 -8.644
172 1HD2 LEU 21 1HD2 LEU 21 -5.482 -5.956 -8.381
173 2HD2 LEU 21 3HD2 LEU 21 -6.929 -5.007 -8.571
174 3HD2 LEU 21 2HD2 LEU 21 -5.805 -5.144 -9.873
175 H THR 22 H THR 22 -8.022 -5.643 -7.008
176 HA THR 22 HA THR 22 -6.618 -8.110 -6.006
177 HB THR 22 HB THR 22 -9.420 -7.954 -7.265
178 HG1 THR 22 HG1 THR 22 -8.903 -8.673 -4.652
179 1HG2 THR 22 1HG2 THR 22 -7.976 -10.091 -5.541
180 2HG2 THR 22 3HG2 THR 22 -9.601 -10.218 -6.210
181 3HG2 THR 22 2HG2 THR 22 -8.209 -10.232 -7.265
182 H ILE 23 H ILE 23 -5.023 -8.483 -7.376
183 HA ILE 23 HA ILE 23 -5.505 -8.478 -10.280
184 HB ILE 23 HB ILE 23 -2.992 -8.662 -10.557
185 1HG1 ILE 23 2HG1 ILE 23 -2.603 -8.242 -7.620
186 2HG1 ILE 23 1HG1 ILE 23 -2.845 -9.861 -8.218
187 1HG2 ILE 23 1HG2 ILE 23 -4.024 -6.428 -10.341
188 2HG2 ILE 23 3HG2 ILE 23 -3.681 -6.547 -8.605
189 3HG2 ILE 23 2HG2 ILE 23 -2.369 -6.520 -9.776
190 1HD1 ILE 23 1HD1 ILE 23 -0.735 -7.963 -9.353
191 2HD1 ILE 23 3HD1 ILE 23 -0.402 -9.308 -8.277
192 3HD1 ILE 23 2HD1 ILE 23 -1.042 -9.602 -9.870
193 H LYS 24 H LYS 24 -3.952 -10.106 -11.457
194 HA LYS 24 HA LYS 24 -4.728 -12.660 -10.343
195 1HB LYS 24 2HB LYS 24 -3.510 -12.309 -13.123
196 2HB LYS 24 1HB LYS 24 -4.692 -13.491 -12.641
197 1HG LYS 24 2HG LYS 24 -6.446 -12.328 -13.105
198 2HG LYS 24 1HG LYS 24 -5.882 -10.846 -12.388
199 1HD LYS 24 2HD LYS 24 -4.144 -10.836 -14.401
200 2HD LYS 24 1HD LYS 24 -5.203 -12.041 -15.124
201 1HE LYS 24 2HE LYS 24 -5.801 -9.806 -15.977
202 2HE LYS 24 1HE LYS 24 -7.069 -10.318 -14.853
203 1HZ LYS 24 3HZ LYS 24 -4.960 -9.309 -13.330
204 2HZ LYS 24 2HZ LYS 24 -5.162 -8.219 -14.566
205 3HZ LYS 24 1HZ LYS 24 -6.466 -8.521 -13.595
206 HA PRO 25 HA PRO 25 -0.281 -13.499 -9.857
207 1HB PRO 25 2HB PRO 25 0.262 -15.949 -10.938
208 2HB PRO 25 1HB PRO 25 -0.695 -15.765 -9.467
209 1HG PRO 25 2HG PRO 25 -1.751 -15.949 -12.359
210 2HG PRO 25 1HG PRO 25 -2.209 -16.979 -10.998
211 1HD PRO 25 2HD PRO 25 -3.718 -14.865 -11.645
212 2HD PRO 25 1HD PRO 25 -3.453 -15.173 -9.926
213 H GLY 26 H GLY 26 -0.226 -11.579 -11.468
214 1HA GLY 26 2HA GLY 26 1.925 -11.308 -13.033
215 2HA GLY 26 1HA GLY 26 1.064 -12.381 -14.079
216 H ASP 27 H ASP 27 0.658 -9.192 -12.617
217 HA ASP 27 HA ASP 27 -0.542 -8.383 -15.204
218 1HB ASP 27 2HB ASP 27 -1.253 -7.701 -12.327
219 2HB ASP 27 1HB ASP 27 -1.680 -6.515 -13.534
220 H THR 28 H THR 28 -0.539 -5.953 -15.468
221 HA THR 28 HA THR 28 2.191 -4.872 -15.366
222 HB THR 28 HB THR 28 0.146 -4.353 -17.501
223 HG1 THR 28 HG1 THR 28 2.333 -6.075 -16.965
224 1HG2 THR 28 2HG2 THR 28 2.260 -2.780 -17.294
225 2HG2 THR 28 1HG2 THR 28 3.192 -4.252 -17.442
226 3HG2 THR 28 3HG2 THR 28 2.148 -3.745 -18.747
227 H VAL 29 H VAL 29 -0.092 -4.353 -13.726
228 HA VAL 29 HA VAL 29 -1.334 -1.860 -13.779
229 HB VAL 29 HB VAL 29 0.085 -2.982 -11.266
230 1HG1 VAL 29 3HG1 VAL 29 -2.589 -1.500 -11.446
231 2HG1 VAL 29 2HG1 VAL 29 -1.846 -2.084 -9.968
232 3HG1 VAL 29 1HG1 VAL 29 -1.081 -0.820 -10.882
233 1HG2 VAL 29 2HG2 VAL 29 -2.626 -3.954 -12.295
234 2HG2 VAL 29 1HG2 VAL 29 -1.138 -4.885 -12.273
235 3HG2 VAL 29 3HG2 VAL 29 -1.877 -4.419 -10.774
236 H GLU 30 H GLU 30 -1.335 0.075 -13.306
237 HA GLU 30 HA GLU 30 1.285 1.347 -13.141
238 1HB GLU 30 2HB GLU 30 -0.895 1.616 -14.986
239 2HB GLU 30 1HB GLU 30 -0.634 3.165 -14.197
240 1HG GLU 30 2HG GLU 30 1.599 1.545 -15.502
241 2HG GLU 30 1HG GLU 30 0.797 2.863 -16.282
242 H PHE 31 H PHE 31 1.721 2.728 -11.693
243 HA PHE 31 HA PHE 31 -0.307 3.718 -9.699
244 1HB PHE 31 2HB PHE 31 2.628 2.995 -9.455
245 2HB PHE 31 1HB PHE 31 1.812 3.920 -8.205
246 HD1 PHE 31 HD1 PHE 31 -0.039 2.888 -6.923
247 HD2 PHE 31 HD2 PHE 31 2.126 0.667 -9.827
248 HE1 PHE 31 HE1 PHE 31 -0.958 0.805 -6.000
249 HE2 PHE 31 HE2 PHE 31 1.209 -1.421 -8.913
250 HZ PHE 31 HZ PHE 31 -0.338 -1.355 -6.996
251 H LEU 32 H LEU 32 -0.818 5.806 -10.144
252 HA LEU 32 HA LEU 32 1.146 7.595 -11.396
253 1HB LEU 32 2HB LEU 32 -1.075 7.118 -12.355
254 2HB LEU 32 1HB LEU 32 -1.827 7.896 -10.986
255 HG LEU 32 HG LEU 32 0.141 9.437 -12.758
256 1HD1 LEU 32 1HD1 LEU 32 -2.894 9.126 -13.032
257 2HD1 LEU 32 3HD1 LEU 32 -1.871 10.186 -13.985
258 3HD1 LEU 32 2HD1 LEU 32 -1.714 8.450 -14.140
259 1HD2 LEU 32 3HD2 LEU 32 -2.277 10.270 -11.069
260 2HD2 LEU 32 2HD2 LEU 32 -0.616 10.467 -10.543
261 3HD2 LEU 32 1HD2 LEU 32 -1.192 11.334 -11.943
262 H ASN 33 H ASN 33 2.104 9.275 -10.503
263 HA ASN 33 HA ASN 33 2.232 9.980 -7.717
264 1HB ASN 33 2HB ASN 33 3.352 11.104 -10.245
265 2HB ASN 33 1HB ASN 33 3.560 11.931 -8.711
266 1HD2 ASN 33 2HD2 ASN 33 5.759 8.763 -9.407
267 2HD2 ASN 33 1HD2 ASN 33 4.642 9.328 -10.586
268 H ASN 34 H ASN 34 -0.403 10.224 -8.071
269 HA ASN 34 HA ASN 34 -2.049 12.005 -8.743
270 1HB ASN 34 2HB ASN 34 -2.210 10.689 -6.565
271 2HB ASN 34 1HB ASN 34 -1.276 11.909 -5.737
272 1HD2 ASN 34 2HD2 ASN 34 -4.206 13.705 -5.117
273 2HD2 ASN 34 1HD2 ASN 34 -2.627 13.359 -4.611
274 H LYS 35 H LYS 35 -0.464 13.738 -6.154
275 HA LYS 35 HA LYS 35 0.314 15.936 -7.810
276 1HB LYS 35 2HB LYS 35 -2.328 16.123 -7.669
277 2HB LYS 35 1HB LYS 35 -2.111 16.395 -5.972
278 1HG LYS 35 2HG LYS 35 -2.330 18.569 -6.764
279 2HG LYS 35 1HG LYS 35 -0.606 18.439 -6.634
280 1HD LYS 35 2HD LYS 35 -2.247 18.165 -9.214
281 2HD LYS 35 1HD LYS 35 -1.292 19.542 -8.752
282 1HE LYS 35 2HE LYS 35 0.140 18.560 -10.274
283 2HE LYS 35 1HE LYS 35 0.733 17.863 -8.784
284 1HZ LYS 35 2HZ LYS 35 -1.406 16.200 -9.649
285 2HZ LYS 35 1HZ LYS 35 -0.404 16.490 -10.993
286 3HZ LYS 35 3HZ LYS 35 0.203 15.813 -9.640
287 H VAL 36 H VAL 36 -0.123 14.834 -5.001
288 HA VAL 36 HA VAL 36 1.790 16.636 -3.527
289 HB VAL 36 HB VAL 36 -0.206 14.654 -2.342
290 1HG1 VAL 36 2HG1 VAL 36 1.437 16.903 -1.073
291 2HG1 VAL 36 1HG1 VAL 36 0.282 15.888 -0.234
292 3HG1 VAL 36 3HG1 VAL 36 1.757 15.191 -0.874
293 1HG2 VAL 36 3HG2 VAL 36 -0.357 17.706 -2.571
294 2HG2 VAL 36 2HG2 VAL 36 -1.362 16.594 -3.478
295 3HG2 VAL 36 1HG2 VAL 36 -1.516 16.695 -1.739
296 HA PRO 37 HA PRO 37 4.246 12.784 -3.522
297 1HB PRO 37 2HB PRO 37 6.557 13.791 -4.349
298 2HB PRO 37 1HB PRO 37 5.168 13.875 -5.429
299 1HG PRO 37 2HG PRO 37 6.302 16.049 -3.566
300 2HG PRO 37 1HG PRO 37 5.807 16.242 -5.242
301 1HD PRO 37 2HD PRO 37 4.162 16.737 -2.944
302 2HD PRO 37 1HD PRO 37 3.589 16.622 -4.624
303 HA PRO 38 HA PRO 38 6.547 12.040 -3.496
304 1HB PRO 38 2HB PRO 38 8.978 11.434 -2.672
305 2HB PRO 38 1HB PRO 38 8.601 13.132 -2.974
306 1HG PRO 38 2HG PRO 38 8.668 11.685 -0.266
307 2HG PRO 38 1HG PRO 38 9.301 13.284 -0.659
308 1HD PRO 38 2HD PRO 38 6.681 12.682 0.428
309 2HD PRO 38 1HD PRO 38 7.216 14.267 -0.170
310 H HIS 39 HN HIP 39 6.035 10.022 -3.873
311 HA HIS 39 HA HIP 39 5.399 8.263 -1.530
312 1HB HIS 39 2HB HIP 39 4.617 7.833 -4.441
313 2HB HIS 39 1HB HIP 39 3.854 7.119 -3.039
314 HD2 HIS 39 HD2 HIP 39 3.897 10.257 -5.205
315 HE1 HIS 39 HE1 HIP 39 1.021 10.960 -2.277
316 HE2 HIS 39 HE2 HIP 39 2.010 11.735 -4.324
317 H ASN 40 H ASN 40 7.555 7.690 -1.105
318 HA ASN 40 HA ASN 40 9.185 6.126 -3.026
319 1HB ASN 40 2HB ASN 40 9.873 7.869 -1.172
320 2HB ASN 40 1HB ASN 40 9.455 6.641 -0.014
321 1HD2 ASN 40 2HD2 ASN 40 12.733 5.656 0.073
322 2HD2 ASN 40 1HD2 ASN 40 11.358 6.047 0.960
323 H VAL 41 H VAL 41 6.791 4.985 -2.932
324 HA VAL 41 HA VAL 41 6.185 3.056 -1.052
325 HB VAL 41 HB VAL 41 4.786 1.993 -2.542
326 1HG1 VAL 41 1HG1 VAL 41 4.609 5.032 -2.674
327 2HG1 VAL 41 3HG1 VAL 41 3.289 3.964 -3.110
328 3HG1 VAL 41 2HG1 VAL 41 3.886 3.970 -1.472
329 1HG2 VAL 41 2HG2 VAL 41 6.064 2.263 -4.754
330 2HG2 VAL 41 1HG2 VAL 41 4.486 2.986 -4.942
331 3HG2 VAL 41 3HG2 VAL 41 5.888 3.999 -4.654
332 H VAL 42 H VAL 42 6.928 1.475 -0.355
333 HA VAL 42 HA VAL 42 8.326 -0.570 -2.018
334 HB VAL 42 HB VAL 42 9.295 -1.097 0.456
335 1HG1 VAL 42 3HG1 VAL 42 9.929 1.333 -1.260
336 2HG1 VAL 42 2HG1 VAL 42 11.051 0.518 -0.149
337 3HG1 VAL 42 1HG1 VAL 42 10.584 -0.230 -1.657
338 1HG2 VAL 42 3HG2 VAL 42 7.790 0.711 1.402
339 2HG2 VAL 42 2HG2 VAL 42 9.504 1.017 1.693
340 3HG2 VAL 42 1HG2 VAL 42 8.608 1.903 0.477
341 H PHE 43 H PHE 43 8.151 -2.786 -1.415
342 HA PHE 43 HA PHE 43 5.463 -3.612 -0.542
343 1HB PHE 43 2HB PHE 43 7.524 -4.748 -2.393
344 2HB PHE 43 1HB PHE 43 6.380 -5.842 -1.647
345 HD1 PHE 43 HD1 PHE 43 6.232 -2.383 -3.183
346 HD2 PHE 43 HD2 PHE 43 4.504 -6.254 -2.937
347 HE1 PHE 43 HE1 PHE 43 4.516 -1.708 -4.793
348 HE2 PHE 43 HE2 PHE 43 2.773 -5.577 -4.556
349 HZ PHE 43 HZ PHE 43 2.784 -3.297 -5.481
350 H ASP 44 H ASP 44 5.234 -4.245 1.387
351 HA ASP 44 HA ASP 44 7.092 -4.624 3.418
352 1HB ASP 44 2HB ASP 44 4.623 -4.031 3.372
353 2HB ASP 44 1HB ASP 44 4.264 -5.733 3.174
354 H ALA 45 H ALA 45 7.754 -6.322 4.657
355 HA ALA 45 HA ALA 45 8.345 -8.864 3.284
356 1HB ALA 45 1HB ALA 45 10.277 -7.470 3.912
357 2HB ALA 45 3HB ALA 45 9.758 -7.460 5.591
358 3HB ALA 45 2HB ALA 45 10.305 -8.959 4.845
359 H ALA 46 H ALA 46 6.476 -7.664 5.606
360 HA ALA 46 HA ALA 46 6.019 -10.167 7.157
361 1HB ALA 46 2HB ALA 46 6.701 -8.106 8.445
362 2HB ALA 46 1HB ALA 46 5.363 -7.230 7.733
363 3HB ALA 46 3HB ALA 46 5.044 -8.553 8.843
364 H LEU 47 H LEU 47 4.412 -7.458 5.512
365 HA LEU 47 HA LEU 47 1.871 -8.989 5.370
366 1HB LEU 47 2HB LEU 47 2.655 -6.147 4.696
367 2HB LEU 47 1HB LEU 47 1.108 -6.781 4.232
368 HG LEU 47 HG LEU 47 1.116 -5.415 6.370
369 1HD1 LEU 47 3HD1 LEU 47 -0.683 -7.107 5.885
370 2HD1 LEU 47 2HD1 LEU 47 0.286 -8.351 6.657
371 3HD1 LEU 47 1HD1 LEU 47 -0.340 -7.014 7.603
372 1HD2 LEU 47 3HD2 LEU 47 3.241 -6.239 7.289
373 2HD2 LEU 47 2HD2 LEU 47 1.929 -6.464 8.427
374 3HD2 LEU 47 1HD2 LEU 47 2.542 -7.838 7.529
375 H ASN 48 H ASN 48 3.185 -10.497 4.019
376 HA ASN 48 HA ASN 48 2.223 -10.330 1.240
377 1HB ASN 48 2HB ASN 48 4.383 -10.399 0.142
378 2HB ASN 48 1HB ASN 48 4.602 -9.209 1.399
379 1HD2 ASN 48 2HD2 ASN 48 7.432 -10.825 2.499
380 2HD2 ASN 48 1HD2 ASN 48 6.586 -9.371 2.242
381 HA PRO 49 HA PRO 49 0.773 -14.204 2.043
382 1HB PRO 49 2HB PRO 49 1.785 -15.899 -0.006
383 2HB PRO 49 1HB PRO 49 0.375 -14.865 -0.135
384 1HG PRO 49 2HG PRO 49 3.267 -14.188 -0.913
385 2HG PRO 49 1HG PRO 49 1.795 -13.951 -1.853
386 1HD PRO 49 2HD PRO 49 2.763 -11.844 -0.555
387 2HD PRO 49 1HD PRO 49 1.023 -12.171 -0.353
388 H ALA 50 H ALA 50 4.037 -14.900 1.122
389 HA ALA 50 HA ALA 50 4.381 -16.722 3.494
390 1HB ALA 50 3HB ALA 50 4.572 -17.777 1.255
391 2HB ALA 50 2HB ALA 50 5.826 -16.621 0.819
392 3HB ALA 50 1HB ALA 50 6.128 -17.795 2.085
393 H LYS 51 H LYS 51 4.514 -13.982 3.837
394 HA LYS 51 HA LYS 51 6.035 -12.097 3.993
395 1HB LYS 51 2HB LYS 51 6.428 -12.208 6.356
396 2HB LYS 51 1HB LYS 51 4.917 -12.956 5.951
397 1HG LYS 51 2HG LYS 51 5.495 -15.031 6.626
398 2HG LYS 51 1HG LYS 51 7.055 -14.986 5.845
399 1HD LYS 51 2HD LYS 51 6.346 -13.520 8.400
400 2HD LYS 51 1HD LYS 51 7.158 -15.092 8.349
401 1HE LYS 51 2HE LYS 51 9.051 -14.100 7.070
402 2HE LYS 51 1HE LYS 51 8.269 -12.528 7.034
403 1HZ LYS 51 1HZ LYS 51 8.287 -13.450 9.696
404 2HZ LYS 51 3HZ LYS 51 9.867 -13.588 9.077
405 3HZ LYS 51 2HZ LYS 51 9.070 -12.088 9.045
406 H SER 52 H SER 52 7.405 -12.975 2.222
407 HA SER 52 HA SER 52 10.161 -13.842 2.940
408 1HB SER 52 2HB SER 52 9.241 -13.010 0.135
409 2HB SER 52 1HB SER 52 10.492 -14.171 0.564
410 HG SER 52 HG SER 52 8.281 -15.019 1.785
411 H ALA 53 H ALA 53 11.962 -12.541 1.766
412 HA ALA 53 HA ALA 53 11.556 -9.581 2.303
413 1HB ALA 53 1HB ALA 53 13.084 -10.775 3.911
414 2HB ALA 53 3HB ALA 53 14.076 -11.328 2.568
415 3HB ALA 53 2HB ALA 53 14.002 -9.612 2.969
416 H ASP 54 H ASP 54 13.309 -11.882 0.528
417 HA ASP 54 HA ASP 54 14.614 -10.669 -1.530
418 1HB ASP 54 2HB ASP 54 13.987 -13.066 -2.559
419 2HB ASP 54 1HB ASP 54 14.806 -13.051 -1.013
420 H LEU 55 H LEU 55 11.474 -12.081 -2.233
421 HA LEU 55 HA LEU 55 11.007 -10.404 -4.534
422 1HB LEU 55 2HB LEU 55 10.145 -12.846 -3.798
423 2HB LEU 55 1HB LEU 55 8.779 -11.954 -3.195
424 HG LEU 55 HG LEU 55 8.320 -12.794 -5.489
425 1HD1 LEU 55 1HD1 LEU 55 7.362 -10.520 -4.943
426 2HD1 LEU 55 3HD1 LEU 55 8.779 -9.781 -5.670
427 3HD1 LEU 55 2HD1 LEU 55 7.707 -10.742 -6.649
428 1HD2 LEU 55 2HD2 LEU 55 10.683 -12.858 -6.293
429 2HD2 LEU 55 1HD2 LEU 55 9.629 -12.016 -7.409
430 3HD2 LEU 55 3HD2 LEU 55 10.707 -11.106 -6.388
431 H ALA 56 H ALA 56 10.524 -9.855 -1.220
432 HA ALA 56 HA ALA 56 8.228 -8.018 -1.433
433 1HB ALA 56 3HB ALA 56 8.984 -9.125 0.767
434 2HB ALA 56 2HB ALA 56 10.451 -8.164 0.721
435 3HB ALA 56 1HB ALA 56 8.902 -7.382 0.896
436 H LYS 57 H LYS 57 11.700 -7.596 -1.043
437 HA LYS 57 HA LYS 57 11.700 -4.789 -1.783
438 1HB LYS 57 2HB LYS 57 13.920 -6.875 -1.997
439 2HB LYS 57 1HB LYS 57 14.189 -5.134 -2.071
440 1HG LYS 57 2HG LYS 57 13.263 -4.881 0.237
441 2HG LYS 57 1HG LYS 57 13.037 -6.605 0.369
442 1HD LYS 57 2HD LYS 57 15.709 -5.162 -0.069
443 2HD LYS 57 1HD LYS 57 15.186 -5.866 1.450
444 1HE LYS 57 2HE LYS 57 15.113 -8.130 0.336
445 2HE LYS 57 1HE LYS 57 15.731 -7.395 -1.141
446 1HZ LYS 57 3HZ LYS 57 17.338 -6.491 0.995
447 2HZ LYS 57 2HZ LYS 57 17.243 -8.173 1.133
448 3HZ LYS 57 1HZ LYS 57 17.813 -7.467 -0.298
449 H SER 58 H SER 58 12.468 -7.691 -3.631
450 HA SER 58 HA SER 58 13.093 -6.678 -6.155
451 1HB SER 58 2HB SER 58 12.863 -9.169 -5.584
452 2HB SER 58 1HB SER 58 11.112 -8.935 -5.786
453 HG SER 58 HG SER 58 11.971 -7.764 -7.878
454 H LEU 59 H LEU 59 10.084 -6.485 -4.605
455 HA LEU 59 HA LEU 59 8.740 -5.442 -7.040
456 1HB LEU 59 2HB LEU 59 7.891 -7.296 -5.162
457 2HB LEU 59 1HB LEU 59 7.230 -5.850 -4.453
458 HG LEU 59 HG LEU 59 5.541 -6.822 -5.896
459 1HD1 LEU 59 2HD1 LEU 59 5.735 -4.332 -6.005
460 2HD1 LEU 59 1HD1 LEU 59 6.819 -4.464 -7.367
461 3HD1 LEU 59 3HD1 LEU 59 5.163 -4.988 -7.524
462 1HD2 LEU 59 3HD2 LEU 59 7.687 -6.753 -8.084
463 2HD2 LEU 59 2HD2 LEU 59 7.075 -8.187 -7.292
464 3HD2 LEU 59 1HD2 LEU 59 6.037 -7.221 -8.319
465 H SER 60 H SER 60 9.426 -4.632 -3.611
466 HA SER 60 HA SER 60 8.348 -2.086 -3.459
467 1HB SER 60 2HB SER 60 9.870 -2.007 -1.425
468 2HB SER 60 1HB SER 60 9.841 -3.703 -1.788
469 HG SER 60 HG SER 60 11.611 -2.961 -3.440
470 H HIS 61 H HIS 61 8.799 0.010 -4.077
471 HA HIS 61 HA HIS 61 11.086 0.336 -5.963
472 1HB HIS 61 2HB HIS 61 8.225 1.275 -5.906
473 2HB HIS 61 1HB HIS 61 9.393 2.319 -6.675
474 HD1 HIS 61 HD1 HIS 61 8.863 -1.469 -6.986
475 HD2 HIS 61 HD2 HIS 61 9.319 1.877 -9.290
476 HE1 HIS 61 HE1 HIS 61 8.810 -2.206 -9.326
477 H LYS 62 H LYS 62 12.669 1.703 -5.390
478 HA LYS 62 HA LYS 62 12.109 3.851 -3.357
479 1HB LYS 62 2HB LYS 62 14.714 2.304 -3.796
480 2HB LYS 62 1HB LYS 62 14.511 3.524 -2.578
481 1HG LYS 62 2HG LYS 62 12.775 1.011 -2.571
482 2HG LYS 62 1HG LYS 62 14.376 0.979 -1.907
483 1HD LYS 62 2HD LYS 62 12.803 1.406 -0.059
484 2HD LYS 62 1HD LYS 62 13.784 2.815 -0.299
485 1HE LYS 62 2HE LYS 62 12.132 4.056 -1.256
486 2HE LYS 62 1HE LYS 62 11.159 2.706 -1.746
487 1HZ LYS 62 2HZ LYS 62 11.449 2.622 1.118
488 2HZ LYS 62 1HZ LYS 62 11.024 4.116 0.719
489 3HZ LYS 62 3HZ LYS 62 10.043 2.887 0.229
490 H GLN 63 H GLN 63 13.011 5.727 -3.517
491 HA GLN 63 HA GLN 63 14.756 7.290 -4.471
492 1HB GLN 63 2HB GLN 63 15.133 5.981 -6.495
493 2HB GLN 63 1HB GLN 63 13.471 6.226 -7.010
494 1HG GLN 63 2HG GLN 63 15.386 7.766 -8.078
495 2HG GLN 63 1HG GLN 63 13.892 8.545 -7.631
496 1HE2 GLN 63 2HE2 GLN 63 15.509 10.605 -5.358
497 2HE2 GLN 63 1HE2 GLN 63 14.051 10.221 -6.174
498 H LEU 64 H LEU 64 12.935 7.955 -3.000
499 HA LEU 64 HA LEU 64 10.736 9.086 -2.757
500 1HB LEU 64 2HB LEU 64 13.213 10.767 -3.110
501 2HB LEU 64 1HB LEU 64 11.727 11.539 -2.628
502 HG LEU 64 HG LEU 64 12.859 9.136 -1.085
503 1HD1 LEU 64 3HD1 LEU 64 13.188 12.143 -0.604
504 2HD1 LEU 64 2HD1 LEU 64 13.757 10.869 0.458
505 3HD1 LEU 64 1HD1 LEU 64 14.471 11.068 -1.131
506 1HD2 LEU 64 3HD2 LEU 64 10.397 9.856 -0.752
507 2HD2 LEU 64 2HD2 LEU 64 11.391 10.088 0.678
508 3HD2 LEU 64 1HD2 LEU 64 10.991 11.452 -0.347
509 H LEU 65 H LEU 65 9.411 8.641 -4.542
510 HA LEU 65 HA LEU 65 9.375 9.923 -7.026
511 1HB LEU 65 2HB LEU 65 7.300 8.601 -5.246
512 2HB LEU 65 1HB LEU 65 6.774 9.363 -6.720
513 HG LEU 65 HG LEU 65 8.413 7.943 -8.011
514 1HD1 LEU 65 2HD1 LEU 65 8.754 6.541 -5.324
515 2HD1 LEU 65 1HD1 LEU 65 9.373 5.978 -6.861
516 3HD1 LEU 65 3HD1 LEU 65 10.020 7.442 -6.162
517 1HD2 LEU 65 2HD2 LEU 65 6.030 7.272 -7.700
518 2HD2 LEU 65 1HD2 LEU 65 7.081 5.863 -7.736
519 3HD2 LEU 65 3HD2 LEU 65 6.456 6.454 -6.209
520 H MET 66 H MET 66 10.011 12.004 -6.578
521 HA MET 66 HA MET 66 8.063 14.039 -5.592
522 1HB MET 66 2HB MET 66 10.397 13.824 -4.901
523 2HB MET 66 1HB MET 66 10.879 14.133 -6.563
524 1HG MET 66 2HG MET 66 11.034 16.166 -5.051
525 2HG MET 66 1HG MET 66 10.117 16.401 -6.503
526 1HE MET 66 2HE MET 66 7.870 17.233 -6.662
527 2HE MET 66 1HE MET 66 7.254 18.205 -5.336
528 3HE MET 66 3HE MET 66 8.880 18.491 -5.921
529 H SER 67 H SER 67 7.489 12.671 -7.755
530 HA SER 67 HA SER 67 7.487 14.594 -10.111
531 1HB SER 67 2HB SER 67 8.613 12.480 -10.535
532 2HB SER 67 1HB SER 67 7.119 11.592 -10.201
533 HG SER 67 HG SER 67 6.108 12.941 -11.839
534 HA PRO 68 HA PRO 68 3.165 14.119 -8.118
535 1HB PRO 68 2HB PRO 68 2.524 16.832 -8.113
536 2HB PRO 68 1HB PRO 68 3.458 16.031 -6.854
537 1HG PRO 68 2HG PRO 68 4.536 17.417 -9.373
538 2HG PRO 68 1HG PRO 68 4.929 17.811 -7.695
539 1HD PRO 68 2HD PRO 68 6.573 16.202 -8.974
540 2HD PRO 68 1HD PRO 68 6.030 15.632 -7.381
541 H GLY 69 H GLY 69 2.739 12.982 -10.116
542 1HA GLY 69 2HA GLY 69 0.425 13.261 -11.435
543 2HA GLY 69 1HA GLY 69 1.369 14.432 -12.338
544 H GLN 70 H GLN 70 3.796 12.644 -12.237
545 HA GLN 70 HA GLN 70 3.045 11.138 -14.670
546 1HB GLN 70 2HB GLN 70 5.252 12.182 -14.661
547 2HB GLN 70 1HB GLN 70 5.687 11.424 -13.144
548 1HG GLN 70 2HG GLN 70 6.786 10.301 -15.157
549 2HG GLN 70 1HG GLN 70 5.788 9.159 -14.291
550 1HE2 GLN 70 2HE2 GLN 70 4.156 8.428 -17.259
551 2HE2 GLN 70 1HE2 GLN 70 4.844 7.820 -15.830
552 H SER 71 H SER 71 3.290 8.846 -14.954
553 HA SER 71 HA SER 71 2.742 7.253 -12.492
554 1HB SER 71 2HB SER 71 1.520 5.751 -14.093
555 2HB SER 71 1HB SER 71 0.945 7.413 -14.211
556 HG SER 71 HG SER 71 2.537 5.961 -15.937
557 H THR 72 H THR 72 3.418 5.217 -12.251
558 HA THR 72 HA THR 72 6.074 4.538 -13.502
559 HB THR 72 HB THR 72 6.487 5.088 -11.277
560 HG1 THR 72 HG1 THR 72 6.230 2.284 -11.299
561 1HG2 THR 72 2HG2 THR 72 4.572 2.853 -10.393
562 2HG2 THR 72 1HG2 THR 72 5.599 3.842 -9.389
563 3HG2 THR 72 3HG2 THR 72 4.212 4.558 -10.199
564 H SER 73 H SER 73 4.966 3.193 -15.195
565 HA SER 73 HA SER 73 3.259 1.028 -14.814
566 1HB SER 73 2HB SER 73 5.780 1.099 -16.644
567 2HB SER 73 1HB SER 73 4.335 0.124 -16.968
568 HG SER 73 HG SER 73 3.580 2.721 -16.554
569 H THR 74 H THR 74 3.206 -0.092 -13.208
570 HA THR 74 HA THR 74 5.570 -1.580 -12.198
571 HB THR 74 HB THR 74 2.816 -1.322 -10.861
572 HG1 THR 74 HG1 THR 74 4.405 0.609 -11.247
573 1HG2 THR 74 1HG2 THR 74 5.633 -1.859 -9.799
574 2HG2 THR 74 3HG2 THR 74 4.147 -1.832 -8.877
575 3HG2 THR 74 2HG2 THR 74 4.446 -3.146 -10.007
576 H THR 75 H THR 75 5.717 -3.212 -13.679
577 HA THR 75 HA THR 75 3.412 -5.154 -13.737
578 HB THR 75 HB THR 75 4.469 -4.190 -15.958
579 HG1 THR 75 HG1 THR 75 4.423 -7.028 -15.767
580 1HG2 THR 75 1HG2 THR 75 6.860 -4.933 -15.457
581 2HG2 THR 75 3HG2 THR 75 6.300 -6.594 -15.447
582 3HG2 THR 75 2HG2 THR 75 6.182 -5.642 -16.913
583 H PHE 76 H PHE 76 3.673 -7.217 -13.657
584 HA PHE 76 HA PHE 76 5.875 -8.231 -11.924
585 1HB PHE 76 2HB PHE 76 3.108 -9.395 -12.596
586 2HB PHE 76 1HB PHE 76 4.189 -10.050 -11.371
587 HD1 PHE 76 HD1 PHE 76 4.861 -8.508 -9.443
588 HD2 PHE 76 HD2 PHE 76 1.652 -7.587 -12.042
589 HE1 PHE 76 HE1 PHE 76 4.003 -6.859 -7.814
590 HE2 PHE 76 HE2 PHE 76 0.795 -5.952 -10.451
591 HZ PHE 76 HZ PHE 76 1.981 -5.570 -8.330
592 HA PRO 77 HA PRO 77 6.451 -11.192 -15.407
593 1HB PRO 77 2HB PRO 77 7.826 -13.092 -13.601
594 2HB PRO 77 1HB PRO 77 8.529 -12.104 -14.877
595 1HG PRO 77 2HG PRO 77 9.021 -11.641 -12.187
596 2HG PRO 77 1HG PRO 77 9.066 -10.326 -13.369
597 1HD PRO 77 2HD PRO 77 6.739 -11.133 -11.544
598 2HD PRO 77 1HD PRO 77 7.438 -9.531 -11.830
599 H ALA 78 H ALA 78 6.391 -14.022 -14.781
600 HA ALA 78 HA ALA 78 3.466 -14.326 -14.150
601 1HB ALA 78 2HB ALA 78 5.328 -15.985 -15.925
602 2HB ALA 78 1HB ALA 78 3.619 -16.293 -15.688
603 3HB ALA 78 3HB ALA 78 4.135 -14.817 -16.487
604 H ASP 79 H ASP 79 5.153 -14.224 -12.095
605 HA ASP 79 HA ASP 79 5.268 -16.954 -10.888
606 1HB ASP 79 2HB ASP 79 7.020 -15.772 -9.403
607 2HB ASP 79 1HB ASP 79 7.444 -15.759 -11.110
608 H ALA 80 H ALA 80 4.682 -13.661 -10.025
609 HA ALA 80 HA ALA 80 3.634 -12.842 -7.962
610 1HB ALA 80 1HB ALA 80 1.784 -13.491 -10.216
611 2HB ALA 80 3HB ALA 80 1.395 -12.280 -8.983
612 3HB ALA 80 2HB ALA 80 2.764 -12.046 -10.073
613 HA PRO 81 HA PRO 81 2.272 -16.851 -5.875
614 1HB PRO 81 2HB PRO 81 3.443 -15.748 -3.515
615 2HB PRO 81 1HB PRO 81 4.174 -16.954 -4.579
616 1HG PRO 81 2HG PRO 81 4.399 -13.892 -4.757
617 2HG PRO 81 1HG PRO 81 5.739 -15.049 -4.764
618 1HD PRO 81 2HD PRO 81 4.968 -14.158 -7.102
619 2HD PRO 81 1HD PRO 81 4.980 -15.922 -6.981
620 H ALA 82 H ALA 82 0.124 -16.584 -5.866
621 HA ALA 82 HA ALA 82 -1.593 -14.594 -5.222
622 1HB ALA 82 2HB ALA 82 -2.291 -16.825 -5.944
623 2HB ALA 82 1HB ALA 82 -1.887 -17.501 -4.369
624 3HB ALA 82 3HB ALA 82 -3.213 -16.358 -4.536
625 H GLY 83 H GLY 83 -2.771 -13.820 -3.520
626 1HA GLY 83 2HA GLY 83 -3.248 -13.901 -0.992
627 2HA GLY 83 1HA GLY 83 -1.515 -13.934 -0.782
628 H GLU 84 H GLU 84 -1.973 -12.314 0.651
629 HA GLU 84 HA GLU 84 -2.732 -9.606 -0.188
630 1HB GLU 84 2HB GLU 84 -2.065 -10.857 2.504
631 2HB GLU 84 1HB GLU 84 -2.601 -9.210 2.310
632 1HG GLU 84 2HG GLU 84 -4.307 -11.545 1.255
633 2HG GLU 84 1HG GLU 84 -4.500 -10.882 2.868
634 H TYR 85 H TYR 85 -1.100 -8.397 -1.175
635 HA TYR 85 HA TYR 85 1.595 -8.314 0.198
636 1HB TYR 85 2HB TYR 85 1.191 -7.035 -2.508
637 2HB TYR 85 1HB TYR 85 2.656 -7.520 -1.723
638 HD1 TYR 85 HD2 TYR 85 0.534 -10.404 -1.630
639 HD2 TYR 85 HD1 TYR 85 2.928 -7.993 -4.192
640 HE1 TYR 85 HE2 TYR 85 0.773 -12.277 -3.215
641 HE2 TYR 85 HE1 TYR 85 3.141 -9.891 -5.753
642 HH TYR 85 HH TYR 85 1.577 -12.919 -5.123
643 H THR 86 H THR 86 1.945 -6.427 1.356
644 HA THR 86 HA THR 86 0.242 -4.022 0.702
645 HB THR 86 HB THR 86 1.876 -4.536 3.221
646 HG1 THR 86 HG1 THR 86 -0.001 -5.327 3.710
647 1HG2 THR 86 3HG2 THR 86 -0.213 -2.392 2.531
648 2HG2 THR 86 2HG2 THR 86 0.637 -2.574 4.056
649 3HG2 THR 86 1HG2 THR 86 1.495 -2.012 2.640
650 H PHE 87 H PHE 87 0.909 -2.148 0.050
651 HA PHE 87 HA PHE 87 3.752 -1.677 -0.396
652 1HB PHE 87 2HB PHE 87 2.857 0.060 -2.061
653 2HB PHE 87 1HB PHE 87 3.155 -1.612 -2.476
654 HD1 PHE 87 HD2 PHE 87 1.373 -3.101 -2.866
655 HD2 PHE 87 HD1 PHE 87 0.655 0.971 -1.967
656 HE1 PHE 87 HE2 PHE 87 -0.853 -3.339 -3.723
657 HE2 PHE 87 HE1 PHE 87 -1.590 0.790 -2.823
658 HZ PHE 87 HZ PHE 87 -2.422 -1.385 -3.733
659 H TYR 88 H TYR 88 4.566 -0.140 0.965
660 HA TYR 88 HA TYR 88 2.798 2.082 1.759
661 1HB TYR 88 2HB TYR 88 3.982 2.217 3.862
662 2HB TYR 88 1HB TYR 88 3.400 0.585 3.560
663 HD1 TYR 88 HD1 TYR 88 5.015 -1.199 2.786
664 HD2 TYR 88 HD2 TYR 88 6.267 2.690 3.943
665 HE1 TYR 88 HE1 TYR 88 7.306 -1.992 2.950
666 HE2 TYR 88 HE2 TYR 88 8.556 1.914 4.112
667 HH TYR 88 HH TYR 88 9.925 0.318 3.557
668 H CYS 89 H CYS 89 3.384 4.112 1.320
669 HA CYS 89 HA CYS 89 5.437 4.973 -0.463
670 1HB CYS 89 2HB CYS 89 3.920 6.448 1.627
671 2HB CYS 89 1HB CYS 89 5.050 7.307 0.640
672 H GLU 90 H GLU 90 5.473 4.841 2.860
673 HA GLU 90 HA GLU 90 7.330 4.558 4.363
674 1HB GLU 90 2HB GLU 90 8.601 4.127 2.174
675 2HB GLU 90 1HB GLU 90 9.123 5.779 2.179
676 1HG GLU 90 2HG GLU 90 10.466 5.518 4.147
677 2HG GLU 90 1HG GLU 90 9.680 4.007 4.580
678 HA PRO 91 HA PRO 91 7.098 9.054 5.437
679 1HB PRO 91 2HB PRO 91 8.043 11.049 4.042
680 2HB PRO 91 1HB PRO 91 9.120 9.674 4.376
681 1HG PRO 91 2HG PRO 91 7.543 10.278 1.824
682 2HG PRO 91 1HG PRO 91 9.218 9.733 1.970
683 1HD PRO 91 2HD PRO 91 6.885 8.045 1.639
684 2HD PRO 91 1HD PRO 91 8.563 7.540 1.951
685 H HIS 92 HN HIP 92 4.667 8.252 4.706
686 HA HIS 92 HA HIP 92 3.225 10.743 4.261
687 1HB HIS 92 2HB HIP 92 3.442 8.529 2.259
688 2HB HIS 92 1HB HIP 92 1.837 9.238 2.348
689 HD2 HIS 92 HD2 HIP 92 3.832 12.284 2.642
690 HE1 HIS 92 HE1 HIP 92 3.803 11.451 -1.431
691 HE2 HIS 92 HE2 HIP 92 4.242 13.118 0.285
692 H ARG 93 H ARG 93 0.713 10.427 3.840
693 HA ARG 93 HA ARG 93 -1.331 10.165 5.105
694 1HB ARG 93 2HB ARG 93 -1.033 7.867 3.994
695 2HB ARG 93 1HB ARG 93 -0.418 7.313 5.545
696 1HG ARG 93 2HG ARG 93 -2.718 8.560 6.391
697 2HG ARG 93 1HG ARG 93 -3.159 8.351 4.719
698 1HD ARG 93 2HD ARG 93 -4.040 6.484 5.969
699 2HD ARG 93 1HD ARG 93 -2.729 5.878 4.954
700 HE ARG 93 HE ARG 93 -1.231 5.916 6.995
701 1HH1 ARG 93 1HH2 ARG 93 -1.856 7.690 8.587
702 2HH1 ARG 93 2HH2 ARG 93 -2.809 7.045 9.887
703 1HH2 ARG 93 2HH1 ARG 93 -3.592 4.407 7.730
704 2HH2 ARG 93 1HH1 ARG 93 -3.900 4.991 9.332
705 H GLY 94 H GLY 94 0.824 11.196 6.527
706 1HA GLY 94 2HA GLY 94 0.956 11.953 8.866
707 2HA GLY 94 1HA GLY 94 0.173 10.452 9.375
708 H ALA 95 H ALA 95 1.501 8.733 8.017
709 HA ALA 95 HA ALA 95 4.280 8.558 9.117
710 1HB ALA 95 3HB ALA 95 2.123 6.565 8.803
711 2HB ALA 95 2HB ALA 95 3.762 6.248 9.407
712 3HB ALA 95 1HB ALA 95 2.686 7.355 10.268
713 H GLY 96 H GLY 96 3.106 6.334 7.338
714 1HA GLY 96 2HA GLY 96 4.969 6.618 4.947
715 2HA GLY 96 1HA GLY 96 4.730 5.099 5.693
716 H MET 97 H MET 97 1.878 6.911 4.877
717 HA MET 97 HA MET 97 -0.001 6.075 3.560
718 1HB MET 97 2HB MET 97 2.171 7.127 1.947
719 2HB MET 97 1HB MET 97 1.219 6.036 1.012
720 1HG MET 97 2HG MET 97 -0.806 7.237 1.582
721 2HG MET 97 1HG MET 97 0.070 8.409 2.502
722 1HE MET 97 2HE MET 97 -1.657 7.544 -0.195
723 2HE MET 97 1HE MET 97 -1.371 8.790 -1.349
724 3HE MET 97 3HE MET 97 -0.486 7.265 -1.483
725 H VAL 98 H VAL 98 -0.578 4.080 3.969
726 HA VAL 98 HA VAL 98 0.744 1.797 2.653
727 HB VAL 98 HB VAL 98 -0.370 0.540 4.515
728 1HG1 VAL 98 2HG1 VAL 98 1.913 1.599 4.835
729 2HG1 VAL 98 1HG1 VAL 98 1.157 3.073 5.384
730 3HG1 VAL 98 3HG1 VAL 98 1.009 1.612 6.335
731 1HG2 VAL 98 3HG2 VAL 98 -2.352 2.099 4.842
732 2HG2 VAL 98 2HG2 VAL 98 -1.469 1.847 6.335
733 3HG2 VAL 98 1HG2 VAL 98 -1.274 3.341 5.450
734 H GLY 99 H GLY 99 -0.041 0.874 0.867
735 1HA GLY 99 2HA GLY 99 -3.023 0.581 0.542
736 2HA GLY 99 1HA GLY 99 -1.963 0.961 -0.811
737 H LYS 100 H LYS 100 -3.479 -1.391 -1.006
738 HA LYS 100 HA LYS 100 -1.336 -3.447 -0.810
739 1HB LYS 100 2HB LYS 100 -2.503 -3.463 1.277
740 2HB LYS 100 1HB LYS 100 -4.053 -3.588 0.484
741 1HG LYS 100 2HG LYS 100 -3.020 -5.939 -0.435
742 2HG LYS 100 1HG LYS 100 -1.826 -5.654 0.806
743 1HD LYS 100 2HD LYS 100 -3.544 -6.984 1.880
744 2HD LYS 100 1HD LYS 100 -3.712 -5.365 2.495
745 1HE LYS 100 2HE LYS 100 -5.907 -6.130 2.000
746 2HE LYS 100 1HE LYS 100 -5.538 -5.006 0.699
747 1HZ LYS 100 3HZ LYS 100 -4.559 -7.642 0.129
748 2HZ LYS 100 2HZ LYS 100 -6.055 -7.789 0.579
749 3HZ LYS 100 1HZ LYS 100 -5.732 -6.891 -0.817
750 H ILE 101 H ILE 101 -1.381 -5.217 -2.017
751 HA ILE 101 HA ILE 101 -3.324 -5.357 -4.304
752 HB ILE 101 HB ILE 101 -0.499 -5.222 -4.507
753 1HG1 ILE 101 2HG1 ILE 101 -2.629 -6.459 -6.335
754 2HG1 ILE 101 1HG1 ILE 101 -2.053 -4.806 -6.346
755 1HG2 ILE 101 1HG2 ILE 101 -0.356 -7.634 -3.614
756 2HG2 ILE 101 3HG2 ILE 101 -1.297 -8.140 -4.990
757 3HG2 ILE 101 2HG2 ILE 101 0.298 -7.469 -5.228
758 1HD1 ILE 101 1HD1 ILE 101 0.219 -5.614 -7.153
759 2HD1 ILE 101 3HD1 ILE 101 -0.382 -7.256 -7.174
760 3HD1 ILE 101 2HD1 ILE 101 -1.051 -6.081 -8.258
761 H THR 102 H THR 102 -4.411 -7.152 -4.500
762 HA THR 102 HA THR 102 -4.141 -9.500 -2.650
763 HB THR 102 HB THR 102 -6.653 -8.468 -4.057
764 HG1 THR 102 HG1 THR 102 -6.045 -8.786 -1.361
765 1HG2 THR 102 2HG2 THR 102 -6.204 -10.594 -1.879
766 2HG2 THR 102 1HG2 THR 102 -7.751 -10.120 -2.540
767 3HG2 THR 102 3HG2 THR 102 -6.599 -10.990 -3.534
768 H VAL 103 H VAL 103 -2.919 -10.935 -4.026
769 HA VAL 103 HA VAL 103 -3.760 -11.123 -6.914
770 HB VAL 103 HB VAL 103 -1.435 -12.622 -5.594
771 1HG1 VAL 103 1HG1 VAL 103 -2.089 -13.312 -7.876
772 2HG1 VAL 103 3HG1 VAL 103 -1.864 -11.647 -8.381
773 3HG1 VAL 103 2HG1 VAL 103 -0.501 -12.579 -7.808
774 1HG2 VAL 103 2HG2 VAL 103 -1.336 -9.818 -6.594
775 2HG2 VAL 103 1HG2 VAL 103 -1.051 -10.371 -4.965
776 3HG2 VAL 103 3HG2 VAL 103 0.049 -10.835 -6.248
777 H ALA 104 H ALA 104 -5.300 -12.517 -7.383
778 HA ALA 104 HA ALA 104 -5.611 -14.980 -5.661
779 1HB ALA 104 1HB ALA 104 -7.770 -13.249 -6.916
780 2HB ALA 104 3HB ALA 104 -8.069 -14.731 -6.018
781 3HB ALA 104 2HB ALA 104 -7.363 -13.340 -5.203
782 H GLY 105 HN GLY 105 -6.950 -14.086 -8.771
783 1HA GLY 105 2HA GLY 105 -6.141 -16.655 -10.027
784 2HA GLY 105 1HA GLY 105 -7.825 -16.127 -10.112
No H/Q in entry = 784
Start of MODEL 19
1 1H GLU 1 2H GLU 1 -4.833 -5.392 -14.303
2 2H GLU 1 1H GLU 1 -6.087 -5.927 -15.321
3 3H GLU 1 3H GLU 1 -4.719 -6.860 -15.071
4 HA GLU 1 HA GLU 1 -3.524 -5.908 -16.620
5 1HB GLU 1 2HB GLU 1 -6.157 -4.393 -17.187
6 2HB GLU 1 1HB GLU 1 -4.838 -4.518 -18.317
7 1HG GLU 1 2HG GLU 1 -6.634 -6.207 -18.864
8 2HG GLU 1 1HG GLU 1 -5.153 -7.028 -18.457
9 H THR 2 H THR 2 -2.974 -3.468 -17.561
10 HA THR 2 HA THR 2 -1.675 -1.980 -15.606
11 HB THR 2 HB THR 2 -1.677 -0.131 -17.454
12 HG1 THR 2 HG1 THR 2 -3.508 -0.447 -18.481
13 1HG2 THR 2 1HG2 THR 2 -1.358 -2.938 -18.628
14 2HG2 THR 2 3HG2 THR 2 -0.644 -1.448 -19.200
15 3HG2 THR 2 2HG2 THR 2 -0.082 -2.154 -17.694
16 H TYR 3 H TYR 3 -3.400 -2.004 -14.038
17 HA TYR 3 HA TYR 3 -5.382 0.189 -14.202
18 1HB TYR 3 2HB TYR 3 -4.617 -1.551 -11.786
19 2HB TYR 3 1HB TYR 3 -6.085 -0.613 -11.943
20 HD1 TYR 3 HD1 TYR 3 -6.844 -1.303 -14.776
21 HD2 TYR 3 HD2 TYR 3 -5.479 -3.789 -11.594
22 HE1 TYR 3 HE1 TYR 3 -8.017 -3.221 -15.762
23 HE2 TYR 3 HE2 TYR 3 -6.654 -5.683 -12.601
24 HH TYR 3 HH TYR 3 -8.246 -5.475 -15.728
25 H THR 4 H THR 4 -4.575 2.156 -14.155
26 HA THR 4 HA THR 4 -2.173 3.015 -12.804
27 HB THR 4 HB THR 4 -2.987 5.319 -13.584
28 HG1 THR 4 HG1 THR 4 -5.114 4.861 -13.251
29 1HG2 THR 4 1HG2 THR 4 -1.942 3.664 -15.337
30 2HG2 THR 4 3HG2 THR 4 -3.586 3.137 -15.651
31 3HG2 THR 4 2HG2 THR 4 -3.131 4.802 -15.955
32 H VAL 5 H VAL 5 -2.682 2.227 -10.715
33 HA VAL 5 HA VAL 5 -4.662 3.261 -8.962
34 HB VAL 5 HB VAL 5 -1.778 2.452 -8.363
35 1HG1 VAL 5 2HG1 VAL 5 -4.197 2.616 -6.484
36 2HG1 VAL 5 1HG1 VAL 5 -2.634 1.939 -6.054
37 3HG1 VAL 5 3HG1 VAL 5 -2.789 3.644 -6.433
38 1HG2 VAL 5 2HG2 VAL 5 -4.351 0.792 -8.332
39 2HG2 VAL 5 1HG2 VAL 5 -3.041 0.645 -9.481
40 3HG2 VAL 5 3HG2 VAL 5 -2.776 0.220 -7.802
41 H LYS 6 H LYS 6 -4.905 5.043 -7.799
42 HA LYS 6 HA LYS 6 -2.922 7.262 -8.117
43 1HB LYS 6 2HB LYS 6 -4.772 8.740 -8.445
44 2HB LYS 6 1HB LYS 6 -5.139 7.329 -9.385
45 1HG LYS 6 2HG LYS 6 -7.234 7.644 -8.469
46 2HG LYS 6 1HG LYS 6 -6.535 6.591 -7.258
47 1HD LYS 6 2HD LYS 6 -6.357 8.273 -5.661
48 2HD LYS 6 1HD LYS 6 -5.937 9.499 -6.839
49 1HE LYS 6 2HE LYS 6 -8.319 9.736 -7.437
50 2HE LYS 6 1HE LYS 6 -8.726 8.417 -6.340
51 1HZ LYS 6 1HZ LYS 6 -7.069 10.074 -4.901
52 2HZ LYS 6 3HZ LYS 6 -8.257 11.158 -5.532
53 3HZ LYS 6 2HZ LYS 6 -8.641 9.800 -4.651
54 H LEU 7 H LEU 7 -1.855 7.238 -6.445
55 HA LEU 7 HA LEU 7 -2.651 6.450 -3.774
56 1HB LEU 7 2HB LEU 7 -0.260 6.416 -3.551
57 2HB LEU 7 1HB LEU 7 -0.593 5.986 -5.202
58 HG LEU 7 HG LEU 7 0.568 8.457 -4.102
59 1HD1 LEU 7 1HD1 LEU 7 2.011 6.620 -4.951
60 2HD1 LEU 7 3HD1 LEU 7 1.174 6.662 -6.494
61 3HD1 LEU 7 2HD1 LEU 7 2.174 8.010 -6.016
62 1HD2 LEU 7 1HD2 LEU 7 -0.695 8.388 -6.849
63 2HD2 LEU 7 3HD2 LEU 7 -1.177 9.408 -5.520
64 3HD2 LEU 7 2HD2 LEU 7 0.370 9.629 -6.263
65 H GLY 8 H GLY 8 -4.305 8.232 -4.043
66 1HA GLY 8 2HA GLY 8 -4.880 9.869 -2.161
67 2HA GLY 8 1HA GLY 8 -3.420 10.745 -2.604
68 H SER 9 H SER 9 -5.588 12.207 -2.535
69 HA SER 9 HA SER 9 -6.466 12.343 -5.421
70 1HB SER 9 2HB SER 9 -8.246 12.026 -3.410
71 2HB SER 9 1HB SER 9 -8.181 13.799 -3.460
72 HG SER 9 HG SER 9 -8.939 13.778 -5.488
73 H ASP 10 H ASP 10 -7.008 13.973 -6.383
74 HA ASP 10 HA ASP 10 -5.316 15.897 -7.032
75 1HB ASP 10 2HB ASP 10 -7.208 16.892 -8.208
76 2HB ASP 10 1HB ASP 10 -7.521 15.180 -8.096
77 H LYS 11 H LYS 11 -7.735 16.437 -4.653
78 HA LYS 11 HA LYS 11 -7.151 19.193 -4.000
79 1HB LYS 11 2HB LYS 11 -8.735 17.062 -2.620
80 2HB LYS 11 1HB LYS 11 -8.663 18.732 -2.076
81 1HG LYS 11 2HG LYS 11 -9.470 19.581 -4.144
82 2HG LYS 11 1HG LYS 11 -9.156 18.099 -4.997
83 1HD LYS 11 2HD LYS 11 -10.880 16.974 -3.497
84 2HD LYS 11 1HD LYS 11 -11.279 18.569 -2.881
85 1HE LYS 11 2HE LYS 11 -12.793 18.278 -4.668
86 2HE LYS 11 1HE LYS 11 -11.470 19.247 -5.354
87 1HZ LYS 11 2HZ LYS 11 -10.634 16.616 -5.645
88 2HZ LYS 11 1HZ LYS 11 -12.217 16.569 -6.206
89 3HZ LYS 11 3HZ LYS 11 -11.046 17.615 -6.824
90 H GLY 12 H GLY 12 -4.870 17.122 -3.582
91 1HA GLY 12 2HA GLY 12 -2.935 17.043 -2.091
92 2HA GLY 12 1HA GLY 12 -3.651 18.415 -1.232
93 H LEU 13 H LEU 13 -5.142 15.440 -1.924
94 HA LEU 13 HA LEU 13 -5.567 14.931 0.989
95 1HB LEU 13 2HB LEU 13 -7.075 13.982 -1.470
96 2HB LEU 13 1HB LEU 13 -7.504 13.493 0.155
97 HG LEU 13 HG LEU 13 -7.457 16.405 -0.759
98 1HD1 LEU 13 3HD1 LEU 13 -9.774 14.431 -0.319
99 2HD1 LEU 13 2HD1 LEU 13 -9.936 16.121 -0.744
100 3HD1 LEU 13 1HD1 LEU 13 -9.247 14.995 -1.896
101 1HD2 LEU 13 2HD2 LEU 13 -8.618 15.012 1.703
102 2HD2 LEU 13 1HD2 LEU 13 -7.185 16.034 1.701
103 3HD2 LEU 13 3HD2 LEU 13 -8.745 16.716 1.329
104 H LEU 14 H LEU 14 -4.134 13.610 1.850
105 HA LEU 14 HA LEU 14 -2.823 11.446 0.412
106 1HB LEU 14 2HB LEU 14 -2.924 12.265 3.352
107 2HB LEU 14 1HB LEU 14 -1.977 10.897 2.800
108 HG LEU 14 HG LEU 14 -1.651 13.711 1.652
109 1HD1 LEU 14 1HD1 LEU 14 0.005 12.285 3.785
110 2HD1 LEU 14 3HD1 LEU 14 0.369 13.826 3.035
111 3HD1 LEU 14 2HD1 LEU 14 -1.048 13.662 4.045
112 1HD2 LEU 14 3HD2 LEU 14 0.109 11.189 1.552
113 2HD2 LEU 14 2HD2 LEU 14 -0.825 11.794 0.206
114 3HD2 LEU 14 1HD2 LEU 14 0.496 12.734 0.826
115 H VAL 15 H VAL 15 -4.670 10.543 -0.347
116 HA VAL 15 HA VAL 15 -6.021 8.414 1.301
117 HB VAL 15 HB VAL 15 -6.900 9.446 -1.416
118 1HG1 VAL 15 3HG1 VAL 15 -8.488 8.100 0.806
119 2HG1 VAL 15 2HG1 VAL 15 -9.122 8.697 -0.717
120 3HG1 VAL 15 1HG1 VAL 15 -8.021 7.365 -0.725
121 1HG2 VAL 15 1HG2 VAL 15 -7.793 10.554 1.275
122 2HG2 VAL 15 3HG2 VAL 15 -6.862 11.410 0.057
123 3HG2 VAL 15 2HG2 VAL 15 -8.510 10.925 -0.282
124 H PHE 16 H PHE 16 -6.541 6.453 -0.410
125 HA PHE 16 HA PHE 16 -4.313 6.041 -2.321
126 1HB PHE 16 2HB PHE 16 -3.905 5.149 0.219
127 2HB PHE 16 1HB PHE 16 -4.836 3.774 -0.348
128 HD1 PHE 16 HD2 PHE 16 -3.475 4.402 -3.364
129 HD2 PHE 16 HD1 PHE 16 -2.116 3.491 0.565
130 HE1 PHE 16 HE2 PHE 16 -1.396 3.493 -4.291
131 HE2 PHE 16 HE1 PHE 16 -0.037 2.578 -0.369
132 HZ PHE 16 HZ PHE 16 0.331 2.580 -2.784
133 H GLU 17 H GLU 17 -5.735 5.897 -4.085
134 HA GLU 17 HA GLU 17 -7.927 3.904 -3.878
135 1HB GLU 17 2HB GLU 17 -7.679 6.394 -5.530
136 2HB GLU 17 1HB GLU 17 -9.075 5.344 -5.515
137 1HG GLU 17 2HG GLU 17 -9.777 6.127 -3.411
138 2HG GLU 17 1HG GLU 17 -8.176 6.189 -2.725
139 HA PRO 18 HA PRO 18 -8.805 2.303 -4.465
140 1HB PRO 18 2HB PRO 18 -9.355 0.002 -5.549
141 2HB PRO 18 1HB PRO 18 -9.562 1.476 -6.517
142 1HG PRO 18 2HG PRO 18 -7.254 -0.521 -6.542
143 2HG PRO 18 1HG PRO 18 -8.069 0.197 -7.930
144 1HD PRO 18 2HD PRO 18 -5.677 1.172 -6.673
145 2HD PRO 18 1HD PRO 18 -6.646 2.083 -7.856
146 H ALA 19 H ALA 19 -7.308 2.329 -2.585
147 HA ALA 19 HA ALA 19 -5.441 1.042 -1.429
148 1HB ALA 19 1HB ALA 19 -8.284 0.993 -0.328
149 2HB ALA 19 3HB ALA 19 -6.836 0.797 0.652
150 3HB ALA 19 2HB ALA 19 -7.129 2.304 -0.192
151 H LYS 20 H LYS 20 -8.250 -0.907 -1.957
152 HA LYS 20 HA LYS 20 -6.781 -3.458 -1.421
153 1HB LYS 20 2HB LYS 20 -9.530 -2.392 -0.858
154 2HB LYS 20 1HB LYS 20 -9.542 -4.017 -1.479
155 1HG LYS 20 2HG LYS 20 -7.613 -3.300 0.752
156 2HG LYS 20 1HG LYS 20 -9.314 -3.590 1.123
157 1HD LYS 20 2HD LYS 20 -9.225 -5.878 0.156
158 2HD LYS 20 1HD LYS 20 -7.739 -5.537 -0.666
159 1HE LYS 20 2HE LYS 20 -7.491 -7.055 1.260
160 2HE LYS 20 1HE LYS 20 -6.432 -5.635 1.267
161 1HZ LYS 20 1HZ LYS 20 -8.882 -4.999 2.501
162 2HZ LYS 20 3HZ LYS 20 -8.311 -6.452 3.190
163 3HZ LYS 20 2HZ LYS 20 -7.345 -5.061 3.234
164 H LEU 21 H LEU 21 -5.889 -3.762 -3.480
165 HA LEU 21 HA LEU 21 -7.769 -3.881 -5.793
166 1HB LEU 21 2HB LEU 21 -5.702 -2.355 -5.738
167 2HB LEU 21 1HB LEU 21 -4.777 -3.799 -5.982
168 HG LEU 21 HG LEU 21 -6.629 -2.388 -7.923
169 1HD1 LEU 21 3HD1 LEU 21 -4.069 -3.977 -8.204
170 2HD1 LEU 21 2HD1 LEU 21 -4.851 -3.136 -9.522
171 3HD1 LEU 21 1HD1 LEU 21 -4.189 -2.236 -8.166
172 1HD2 LEU 21 2HD2 LEU 21 -6.200 -5.412 -8.222
173 2HD2 LEU 21 1HD2 LEU 21 -7.745 -4.663 -7.943
174 3HD2 LEU 21 3HD2 LEU 21 -6.886 -4.379 -9.427
175 H THR 22 H THR 22 -8.554 -5.979 -5.855
176 HA THR 22 HA THR 22 -6.589 -8.222 -5.913
177 HB THR 22 HB THR 22 -9.635 -8.229 -6.517
178 HG1 THR 22 HG1 THR 22 -8.000 -8.536 -4.275
179 1HG2 THR 22 1HG2 THR 22 -7.698 -10.577 -6.050
180 2HG2 THR 22 3HG2 THR 22 -9.408 -10.686 -6.370
181 3HG2 THR 22 2HG2 THR 22 -8.312 -10.158 -7.634
182 H ILE 23 H ILE 23 -5.417 -8.318 -7.550
183 HA ILE 23 HA ILE 23 -6.194 -7.362 -10.207
184 HB ILE 23 HB ILE 23 -3.637 -7.613 -10.645
185 1HG1 ILE 23 2HG1 ILE 23 -3.209 -8.138 -7.762
186 2HG1 ILE 23 1HG1 ILE 23 -3.790 -9.483 -8.705
187 1HG2 ILE 23 1HG2 ILE 23 -4.622 -5.544 -9.774
188 2HG2 ILE 23 3HG2 ILE 23 -4.335 -6.137 -8.136
189 3HG2 ILE 23 2HG2 ILE 23 -2.991 -5.842 -9.223
190 1HD1 ILE 23 2HD1 ILE 23 -1.409 -7.775 -9.564
191 2HD1 ILE 23 1HD1 ILE 23 -1.273 -9.326 -8.776
192 3HD1 ILE 23 3HD1 ILE 23 -2.004 -9.210 -10.348
193 H LYS 24 H LYS 24 -4.316 -9.018 -11.569
194 HA LYS 24 HA LYS 24 -5.930 -11.473 -11.531
195 1HB LYS 24 2HB LYS 24 -4.518 -9.873 -13.654
196 2HB LYS 24 1HB LYS 24 -4.521 -11.582 -13.953
197 1HG LYS 24 2HG LYS 24 -6.472 -10.347 -14.980
198 2HG LYS 24 1HG LYS 24 -6.937 -11.691 -13.966
199 1HD LYS 24 2HD LYS 24 -7.658 -10.274 -12.131
200 2HD LYS 24 1HD LYS 24 -6.747 -8.902 -12.718
201 1HE LYS 24 2HE LYS 24 -9.167 -10.044 -14.149
202 2HE LYS 24 1HE LYS 24 -9.191 -8.642 -13.065
203 1HZ LYS 24 3HZ LYS 24 -6.954 -8.429 -14.752
204 2HZ LYS 24 2HZ LYS 24 -8.196 -8.644 -15.798
205 3HZ LYS 24 1HZ LYS 24 -8.211 -7.391 -14.755
206 HA PRO 25 HA PRO 25 -2.088 -14.322 -11.371
207 1HB PRO 25 2HB PRO 25 -1.794 -14.670 -14.188
208 2HB PRO 25 1HB PRO 25 -2.589 -15.747 -13.052
209 1HG PRO 25 2HG PRO 25 -3.891 -13.535 -14.708
210 2HG PRO 25 1HG PRO 25 -4.438 -15.194 -14.409
211 1HD PRO 25 2HD PRO 25 -5.603 -13.355 -12.932
212 2HD PRO 25 1HD PRO 25 -4.939 -14.772 -12.106
213 H GLY 26 H GLY 26 -1.260 -12.019 -10.647
214 1HA GLY 26 2HA GLY 26 0.968 -11.044 -10.641
215 2HA GLY 26 1HA GLY 26 1.163 -11.471 -12.339
216 H ASP 27 H ASP 27 -0.748 -10.533 -13.543
217 HA ASP 27 HA ASP 27 -1.569 -8.673 -14.691
218 1HB ASP 27 2HB ASP 27 -2.731 -8.883 -12.345
219 2HB ASP 27 1HB ASP 27 -1.843 -7.434 -11.923
220 H THR 28 H THR 28 -1.355 -6.363 -15.085
221 HA THR 28 HA THR 28 1.422 -5.394 -14.882
222 HB THR 28 HB THR 28 -0.522 -4.829 -17.101
223 HG1 THR 28 HG1 THR 28 1.629 -6.574 -16.421
224 1HG2 THR 28 2HG2 THR 28 1.635 -3.289 -16.868
225 2HG2 THR 28 1HG2 THR 28 2.549 -4.777 -16.930
226 3HG2 THR 28 3HG2 THR 28 1.561 -4.300 -18.297
227 H VAL 29 H VAL 29 -0.661 -4.677 -13.162
228 HA VAL 29 HA VAL 29 -1.756 -2.111 -13.404
229 HB VAL 29 HB VAL 29 -1.664 -2.113 -10.817
230 1HG1 VAL 29 2HG1 VAL 29 -3.445 -3.385 -12.066
231 2HG1 VAL 29 1HG1 VAL 29 -2.414 -4.797 -12.061
232 3HG1 VAL 29 3HG1 VAL 29 -3.014 -4.153 -10.550
233 1HG2 VAL 29 1HG2 VAL 29 0.568 -3.255 -10.735
234 2HG2 VAL 29 3HG2 VAL 29 -0.624 -4.057 -9.723
235 3HG2 VAL 29 2HG2 VAL 29 -0.159 -4.745 -11.265
236 H GLU 30 H GLU 30 -1.455 -0.151 -12.713
237 HA GLU 30 HA GLU 30 1.311 0.808 -12.790
238 1HB GLU 30 2HB GLU 30 -1.250 1.654 -14.036
239 2HB GLU 30 1HB GLU 30 -0.074 2.910 -13.698
240 1HG GLU 30 2HG GLU 30 0.770 0.338 -15.136
241 2HG GLU 30 1HG GLU 30 0.055 1.663 -16.027
242 H PHE 31 H PHE 31 2.094 2.288 -11.562
243 HA PHE 31 HA PHE 31 0.588 3.322 -9.172
244 1HB PHE 31 2HB PHE 31 3.418 2.436 -9.627
245 2HB PHE 31 1HB PHE 31 3.094 3.596 -8.359
246 HD1 PHE 31 HD2 PHE 31 0.289 1.321 -8.655
247 HD2 PHE 31 HD1 PHE 31 4.240 1.686 -7.115
248 HE1 PHE 31 HE2 PHE 31 -0.159 -0.484 -7.068
249 HE2 PHE 31 HE1 PHE 31 3.786 -0.128 -5.523
250 HZ PHE 31 HZ PHE 31 1.581 -1.216 -5.495
251 H LEU 32 H LEU 32 -0.084 5.460 -9.901
252 HA LEU 32 HA LEU 32 1.991 7.091 -11.198
253 1HB LEU 32 2HB LEU 32 -0.155 6.472 -12.354
254 2HB LEU 32 1HB LEU 32 -1.018 7.470 -11.207
255 HG LEU 32 HG LEU 32 1.249 8.571 -12.950
256 1HD1 LEU 32 3HD1 LEU 32 -1.760 8.487 -13.505
257 2HD1 LEU 32 2HD1 LEU 32 -0.558 9.309 -14.490
258 3HD1 LEU 32 1HD1 LEU 32 -0.540 7.560 -14.362
259 1HD2 LEU 32 3HD2 LEU 32 -1.190 9.873 -11.677
260 2HD2 LEU 32 2HD2 LEU 32 0.446 9.994 -11.038
261 3HD2 LEU 32 1HD2 LEU 32 0.064 10.690 -12.591
262 H ASN 33 H ASN 33 2.884 8.716 -10.226
263 HA ASN 33 HA ASN 33 2.048 9.630 -7.525
264 1HB ASN 33 2HB ASN 33 4.476 9.299 -8.296
265 2HB ASN 33 1HB ASN 33 4.262 10.598 -9.444
266 1HD2 ASN 33 2HD2 ASN 33 5.501 12.780 -7.053
267 2HD2 ASN 33 1HD2 ASN 33 5.453 12.335 -8.688
268 H ASN 34 H ASN 34 -0.088 10.176 -8.382
269 HA ASN 34 HA ASN 34 -0.403 12.315 -10.323
270 1HB ASN 34 2HB ASN 34 -2.778 11.944 -10.047
271 2HB ASN 34 1HB ASN 34 -1.997 10.390 -9.821
272 1HD2 ASN 34 2HD2 ASN 34 -4.378 11.231 -6.990
273 2HD2 ASN 34 1HD2 ASN 34 -4.600 11.676 -8.630
274 H LYS 35 H LYS 35 -1.681 12.792 -6.962
275 HA LYS 35 HA LYS 35 -0.771 15.601 -7.331
276 1HB LYS 35 2HB LYS 35 -3.573 14.559 -7.174
277 2HB LYS 35 1HB LYS 35 -3.333 16.073 -6.364
278 1HG LYS 35 2HG LYS 35 -2.038 16.173 -9.036
279 2HG LYS 35 1HG LYS 35 -3.647 15.530 -9.207
280 1HD LYS 35 2HD LYS 35 -3.619 18.016 -9.405
281 2HD LYS 35 1HD LYS 35 -4.667 17.488 -8.121
282 1HE LYS 35 2HE LYS 35 -2.256 17.835 -6.746
283 2HE LYS 35 1HE LYS 35 -2.093 19.006 -8.038
284 1HZ LYS 35 1HZ LYS 35 -4.751 19.124 -7.068
285 2HZ LYS 35 3HZ LYS 35 -3.799 19.095 -5.755
286 3HZ LYS 35 2HZ LYS 35 -3.579 20.351 -6.886
287 H VAL 36 H VAL 36 -0.300 13.566 -5.266
288 HA VAL 36 HA VAL 36 -0.194 15.593 -3.024
289 HB VAL 36 HB VAL 36 -0.918 12.707 -2.373
290 1HG1 VAL 36 3HG1 VAL 36 -1.438 15.393 -1.025
291 2HG1 VAL 36 2HG1 VAL 36 -1.898 13.823 -0.399
292 3HG1 VAL 36 1HG1 VAL 36 -0.199 14.245 -0.564
293 1HG2 VAL 36 2HG2 VAL 36 -2.909 14.951 -2.979
294 2HG2 VAL 36 1HG2 VAL 36 -2.707 13.510 -3.956
295 3HG2 VAL 36 3HG2 VAL 36 -3.309 13.377 -2.322
296 HA PRO 37 HA PRO 37 3.765 13.219 -3.859
297 1HB PRO 37 2HB PRO 37 5.445 15.308 -4.430
298 2HB PRO 37 1HB PRO 37 4.305 14.688 -5.623
299 1HG PRO 37 2HG PRO 37 3.812 16.968 -3.603
300 2HG PRO 37 1HG PRO 37 3.741 17.095 -5.365
301 1HD PRO 37 2HD PRO 37 1.465 16.635 -4.018
302 2HD PRO 37 1HD PRO 37 1.779 15.645 -5.466
303 HA PRO 38 HA PRO 38 5.974 13.096 -3.994
304 1HB PRO 38 2HB PRO 38 8.375 12.485 -3.142
305 2HB PRO 38 1HB PRO 38 7.935 14.187 -3.322
306 1HG PRO 38 2HG PRO 38 7.989 12.501 -0.753
307 2HG PRO 38 1HG PRO 38 8.628 14.125 -0.974
308 1HD PRO 38 2HD PRO 38 6.034 13.529 0.050
309 2HD PRO 38 1HD PRO 38 6.497 15.109 -0.604
310 H HIS 39 HN HIP 39 5.246 11.102 -4.496
311 HA HIS 39 HA HIP 39 4.814 9.166 -2.291
312 1HB HIS 39 2HB HIP 39 3.885 9.162 -5.145
313 2HB HIS 39 1HB HIP 39 3.526 7.898 -4.006
314 HD2 HIS 39 HD2 HIP 39 2.100 11.147 -5.219
315 HE1 HIS 39 HE1 HIP 39 0.224 10.377 -1.598
316 HE2 HIS 39 HE2 HIP 39 0.217 11.689 -3.609
317 H ASN 40 H ASN 40 6.988 8.380 -1.904
318 HA ASN 40 HA ASN 40 7.986 6.541 -4.067
319 1HB ASN 40 2HB ASN 40 9.877 7.792 -3.131
320 2HB ASN 40 1HB ASN 40 9.231 7.689 -1.499
321 1HD2 ASN 40 2HD2 ASN 40 11.208 4.852 -1.043
322 2HD2 ASN 40 1HD2 ASN 40 10.789 6.388 -0.458
323 H VAL 41 H VAL 41 7.477 4.373 -3.868
324 HA VAL 41 HA VAL 41 6.184 3.477 -1.317
325 HB VAL 41 HB VAL 41 5.269 1.606 -2.631
326 1HG1 VAL 41 2HG1 VAL 41 3.955 3.699 -2.403
327 2HG1 VAL 41 1HG1 VAL 41 4.731 4.366 -3.831
328 3HG1 VAL 41 3HG1 VAL 41 3.659 2.987 -3.979
329 1HG2 VAL 41 2HG2 VAL 41 7.019 1.518 -4.485
330 2HG2 VAL 41 1HG2 VAL 41 5.408 1.681 -5.144
331 3HG2 VAL 41 3HG2 VAL 41 6.461 3.071 -5.060
332 H VAL 42 H VAL 42 7.008 2.008 -0.132
333 HA VAL 42 HA VAL 42 9.558 0.706 -0.985
334 HB VAL 42 HB VAL 42 8.724 1.444 1.790
335 1HG1 VAL 42 1HG1 VAL 42 10.477 -0.342 1.632
336 2HG1 VAL 42 3HG1 VAL 42 11.433 0.702 0.590
337 3HG1 VAL 42 2HG1 VAL 42 11.129 1.156 2.257
338 1HG2 VAL 42 1HG2 VAL 42 10.564 2.905 -0.185
339 2HG2 VAL 42 3HG2 VAL 42 9.008 3.493 0.367
340 3HG2 VAL 42 2HG2 VAL 42 10.329 3.347 1.497
341 H PHE 43 H PHE 43 8.111 -1.045 -1.905
342 HA PHE 43 HA PHE 43 6.406 -2.749 -0.557
343 1HB PHE 43 2HB PHE 43 8.233 -2.939 -2.928
344 2HB PHE 43 1HB PHE 43 7.920 -4.496 -2.213
345 HD1 PHE 43 HD1 PHE 43 5.395 -4.987 -1.647
346 HD2 PHE 43 HD2 PHE 43 6.687 -2.130 -4.540
347 HE1 PHE 43 HE1 PHE 43 3.239 -5.148 -2.781
348 HE2 PHE 43 HE2 PHE 43 4.519 -2.300 -5.669
349 HZ PHE 43 HZ PHE 43 2.791 -3.799 -4.797
350 H ASP 44 H ASP 44 6.244 -4.318 0.802
351 HA ASP 44 HA ASP 44 8.804 -5.051 2.182
352 1HB ASP 44 2HB ASP 44 7.601 -4.873 4.204
353 2HB ASP 44 1HB ASP 44 6.707 -3.775 3.189
354 H ALA 45 H ALA 45 8.370 -6.853 3.724
355 HA ALA 45 HA ALA 45 8.125 -9.408 2.286
356 1HB ALA 45 1HB ALA 45 10.390 -8.841 2.904
357 2HB ALA 45 3HB ALA 45 9.939 -8.635 4.587
358 3HB ALA 45 2HB ALA 45 9.896 -10.231 3.848
359 H ALA 46 H ALA 46 7.366 -7.889 5.331
360 HA ALA 46 HA ALA 46 6.399 -10.046 6.889
361 1HB ALA 46 3HB ALA 46 5.449 -7.131 6.715
362 2HB ALA 46 2HB ALA 46 5.131 -8.181 8.089
363 3HB ALA 46 1HB ALA 46 6.775 -7.691 7.713
364 H LEU 47 H LEU 47 4.740 -8.079 4.562
365 HA LEU 47 HA LEU 47 2.381 -9.912 4.584
366 1HB LEU 47 2HB LEU 47 2.801 -7.131 3.453
367 2HB LEU 47 1HB LEU 47 1.264 -7.981 3.385
368 HG LEU 47 HG LEU 47 2.120 -8.093 6.142
369 1HD1 LEU 47 2HD1 LEU 47 3.735 -6.305 5.561
370 2HD1 LEU 47 1HD1 LEU 47 2.455 -5.290 4.975
371 3HD1 LEU 47 3HD1 LEU 47 2.515 -5.718 6.673
372 1HD2 LEU 47 1HD2 LEU 47 -0.241 -7.835 5.346
373 2HD2 LEU 47 3HD2 LEU 47 0.196 -6.657 6.568
374 3HD2 LEU 47 2HD2 LEU 47 0.104 -6.166 4.897
375 H ASN 48 H ASN 48 4.834 -10.684 3.266
376 HA ASN 48 HA ASN 48 3.977 -10.806 0.400
377 1HB ASN 48 2HB ASN 48 6.179 -9.907 0.615
378 2HB ASN 48 1HB ASN 48 6.554 -10.907 1.982
379 1HD2 ASN 48 2HD2 ASN 48 8.716 -12.088 -0.499
380 2HD2 ASN 48 1HD2 ASN 48 8.471 -10.688 0.430
381 HA PRO 49 HA PRO 49 2.637 -14.999 1.106
382 1HB PRO 49 2HB PRO 49 3.140 -16.180 -1.334
383 2HB PRO 49 1HB PRO 49 1.859 -14.991 -1.129
384 1HG PRO 49 2HG PRO 49 4.748 -14.438 -2.062
385 2HG PRO 49 1HG PRO 49 3.246 -14.007 -2.870
386 1HD PRO 49 2HD PRO 49 4.425 -12.174 -1.321
387 2HD PRO 49 1HD PRO 49 2.666 -12.380 -1.161
388 H ALA 50 H ALA 50 5.717 -14.766 -0.463
389 HA ALA 50 HA ALA 50 6.805 -17.040 1.164
390 1HB ALA 50 2HB ALA 50 6.735 -17.400 -1.266
391 2HB ALA 50 1HB ALA 50 7.653 -15.920 -1.533
392 3HB ALA 50 3HB ALA 50 8.407 -17.283 -0.725
393 H LYS 51 H LYS 51 6.767 -14.943 2.599
394 HA LYS 51 HA LYS 51 8.066 -12.849 3.225
395 1HB LYS 51 2HB LYS 51 8.316 -15.500 4.526
396 2HB LYS 51 1HB LYS 51 9.475 -14.314 5.085
397 1HG LYS 51 2HG LYS 51 7.499 -14.328 6.502
398 2HG LYS 51 1HG LYS 51 7.745 -12.776 5.724
399 1HD LYS 51 2HD LYS 51 6.020 -13.197 4.082
400 2HD LYS 51 1HD LYS 51 5.864 -14.889 4.548
401 1HE LYS 51 2HE LYS 51 4.908 -14.310 6.670
402 2HE LYS 51 1HE LYS 51 5.351 -12.614 6.478
403 1HZ LYS 51 2HZ LYS 51 3.942 -13.366 4.181
404 2HZ LYS 51 1HZ LYS 51 3.004 -13.893 5.486
405 3HZ LYS 51 3HZ LYS 51 3.507 -12.268 5.379
406 H SER 52 H SER 52 9.261 -12.854 1.067
407 HA SER 52 HA SER 52 12.212 -13.110 1.494
408 1HB SER 52 2HB SER 52 12.136 -12.799 -1.173
409 2HB SER 52 1HB SER 52 11.765 -14.359 -0.444
410 HG SER 52 HG SER 52 9.705 -14.005 -0.648
411 H ALA 53 H ALA 53 13.548 -11.640 0.341
412 HA ALA 53 HA ALA 53 12.720 -8.754 0.663
413 1HB ALA 53 1HB ALA 53 15.487 -10.110 0.735
414 2HB ALA 53 3HB ALA 53 15.206 -8.405 1.041
415 3HB ALA 53 2HB ALA 53 14.585 -9.612 2.158
416 H ASP 54 H ASP 54 14.500 -11.009 -1.046
417 HA ASP 54 HA ASP 54 15.642 -10.306 -3.289
418 1HB ASP 54 2HB ASP 54 13.483 -12.516 -3.268
419 2HB ASP 54 1HB ASP 54 15.037 -12.555 -4.058
420 H LEU 55 H LEU 55 12.216 -10.798 -3.290
421 HA LEU 55 HA LEU 55 11.756 -9.286 -5.793
422 1HB LEU 55 2HB LEU 55 10.575 -11.446 -5.120
423 2HB LEU 55 1HB LEU 55 9.761 -10.594 -3.839
424 HG LEU 55 HG LEU 55 8.303 -10.947 -5.801
425 1HD1 LEU 55 1HD1 LEU 55 7.959 -8.788 -4.538
426 2HD1 LEU 55 3HD1 LEU 55 9.068 -7.991 -5.649
427 3HD1 LEU 55 2HD1 LEU 55 7.566 -8.651 -6.245
428 1HD2 LEU 55 1HD2 LEU 55 10.071 -11.019 -7.483
429 2HD2 LEU 55 3HD2 LEU 55 8.809 -9.916 -7.959
430 3HD2 LEU 55 2HD2 LEU 55 10.335 -9.293 -7.352
431 H ALA 56 H ALA 56 10.504 -9.027 -2.495
432 HA ALA 56 HA ALA 56 9.171 -6.678 -2.314
433 1HB ALA 56 3HB ALA 56 9.784 -8.106 -0.361
434 2HB ALA 56 2HB ALA 56 11.437 -7.520 -0.449
435 3HB ALA 56 1HB ALA 56 10.135 -6.420 -0.029
436 H LYS 57 H LYS 57 12.719 -6.596 -2.264
437 HA LYS 57 HA LYS 57 12.676 -3.694 -2.463
438 1HB LYS 57 2HB LYS 57 14.723 -4.644 -1.412
439 2HB LYS 57 1HB LYS 57 14.935 -5.770 -2.726
440 1HG LYS 57 2HG LYS 57 16.636 -4.211 -3.172
441 2HG LYS 57 1HG LYS 57 15.422 -3.645 -4.261
442 1HD LYS 57 2HD LYS 57 16.153 -2.443 -1.537
443 2HD LYS 57 1HD LYS 57 16.578 -1.761 -3.077
444 1HE LYS 57 2HE LYS 57 13.788 -1.958 -1.959
445 2HE LYS 57 1HE LYS 57 14.767 -0.520 -1.919
446 1HZ LYS 57 1HZ LYS 57 14.638 -1.479 -4.642
447 2HZ LYS 57 3HZ LYS 57 13.132 -1.377 -4.017
448 3HZ LYS 57 2HZ LYS 57 14.027 0.000 -4.027
449 H SER 58 H SER 58 13.458 -6.204 -4.789
450 HA SER 58 HA SER 58 14.080 -4.707 -7.086
451 1HB SER 58 2HB SER 58 12.367 -7.232 -6.879
452 2HB SER 58 1HB SER 58 13.065 -6.605 -8.390
453 HG SER 58 HG SER 58 14.359 -7.833 -6.280
454 H LEU 59 H LEU 59 11.099 -5.243 -5.588
455 HA LEU 59 HA LEU 59 9.467 -3.769 -7.568
456 1HB LEU 59 2HB LEU 59 8.919 -5.943 -6.245
457 2HB LEU 59 1HB LEU 59 8.679 -4.929 -4.846
458 HG LEU 59 HG LEU 59 6.914 -3.660 -6.233
459 1HD1 LEU 59 2HD1 LEU 59 7.321 -6.049 -8.080
460 2HD1 LEU 59 1HD1 LEU 59 6.063 -4.840 -8.202
461 3HD1 LEU 59 3HD1 LEU 59 7.723 -4.390 -8.481
462 1HD2 LEU 59 1HD2 LEU 59 6.399 -5.534 -4.588
463 2HD2 LEU 59 3HD2 LEU 59 5.291 -5.503 -5.937
464 3HD2 LEU 59 2HD2 LEU 59 6.592 -6.683 -5.892
465 H SER 60 H SER 60 10.169 -3.255 -3.995
466 HA SER 60 HA SER 60 9.028 -0.664 -3.858
467 1HB SER 60 2HB SER 60 10.736 -0.330 -1.956
468 2HB SER 60 1HB SER 60 10.030 -1.972 -1.838
469 HG SER 60 HG SER 60 11.674 -2.463 -3.498
470 H HIS 61 H HIS 61 9.893 1.456 -4.009
471 HA HIS 61 HA HIS 61 12.015 1.695 -6.091
472 1HB HIS 61 2HB HIS 61 10.106 3.786 -4.904
473 2HB HIS 61 1HB HIS 61 11.086 4.011 -6.342
474 HD1 HIS 61 HD1 HIS 61 8.280 4.416 -6.626
475 HD2 HIS 61 HD2 HIS 61 9.750 0.653 -7.068
476 HE1 HIS 61 HE1 HIS 61 6.585 3.145 -7.958
477 H LYS 62 H LYS 62 11.555 4.277 -4.028
478 HA LYS 62 HA LYS 62 12.805 4.665 -1.826
479 1HB LYS 62 2HB LYS 62 15.241 4.907 -2.033
480 2HB LYS 62 1HB LYS 62 14.763 3.267 -2.352
481 1HG LYS 62 2HG LYS 62 14.863 3.935 -4.894
482 2HG LYS 62 1HG LYS 62 15.596 5.433 -4.360
483 1HD LYS 62 2HD LYS 62 17.409 4.087 -3.160
484 2HD LYS 62 1HD LYS 62 16.650 2.618 -3.721
485 1HE LYS 62 2HE LYS 62 18.488 3.005 -5.206
486 2HE LYS 62 1HE LYS 62 17.029 3.418 -6.104
487 1HZ LYS 62 1HZ LYS 62 17.797 5.721 -4.654
488 2HZ LYS 62 3HZ LYS 62 19.183 5.176 -5.432
489 3HZ LYS 62 2HZ LYS 62 17.774 5.577 -6.267
490 H GLN 63 H GLN 63 14.333 6.453 -1.634
491 HA GLN 63 HA GLN 63 14.458 8.640 -1.393
492 1HB GLN 63 2HB GLN 63 15.843 9.603 -3.191
493 2HB GLN 63 1HB GLN 63 16.273 7.935 -2.876
494 1HG GLN 63 2HG GLN 63 14.768 7.293 -4.936
495 2HG GLN 63 1HG GLN 63 14.584 8.986 -5.244
496 1HE2 GLN 63 2HE2 GLN 63 17.598 9.224 -6.908
497 2HE2 GLN 63 1HE2 GLN 63 16.141 9.977 -6.447
498 H LEU 64 H LEU 64 12.268 9.391 -1.068
499 HA LEU 64 HA LEU 64 10.277 10.571 -1.674
500 1HB LEU 64 2HB LEU 64 12.654 12.419 -1.746
501 2HB LEU 64 1HB LEU 64 11.029 13.039 -1.769
502 HG LEU 64 HG LEU 64 10.684 11.611 0.422
503 1HD1 LEU 64 1HD1 LEU 64 13.720 11.845 0.364
504 2HD1 LEU 64 3HD1 LEU 64 12.748 11.342 1.738
505 3HD1 LEU 64 2HD1 LEU 64 12.806 10.349 0.316
506 1HD2 LEU 64 2HD2 LEU 64 12.553 14.033 0.354
507 2HD2 LEU 64 1HD2 LEU 64 10.799 14.116 0.313
508 3HD2 LEU 64 3HD2 LEU 64 11.614 13.513 1.746
509 H LEU 65 H LEU 65 9.468 9.790 -3.603
510 HA LEU 65 HA LEU 65 10.077 10.652 -6.243
511 1HB LEU 65 2HB LEU 65 8.364 8.828 -5.195
512 2HB LEU 65 1HB LEU 65 7.199 10.098 -5.467
513 HG LEU 65 HG LEU 65 7.091 8.727 -7.395
514 1HD1 LEU 65 3HD1 LEU 65 7.247 11.163 -7.977
515 2HD1 LEU 65 2HD1 LEU 65 8.975 11.001 -8.175
516 3HD1 LEU 65 1HD1 LEU 65 7.891 10.142 -9.241
517 1HD2 LEU 65 2HD2 LEU 65 9.200 7.492 -6.995
518 2HD2 LEU 65 1HD2 LEU 65 9.113 8.046 -8.656
519 3HD2 LEU 65 3HD2 LEU 65 10.138 8.882 -7.507
520 H MET 66 H MET 66 10.542 12.915 -5.851
521 HA MET 66 HA MET 66 8.728 15.012 -5.263
522 1HB MET 66 2HB MET 66 11.188 15.031 -7.074
523 2HB MET 66 1HB MET 66 10.405 16.477 -6.490
524 1HG MET 66 2HG MET 66 10.883 15.747 -4.139
525 2HG MET 66 1HG MET 66 11.685 14.338 -4.763
526 1HE MET 66 2HE MET 66 11.698 18.245 -5.058
527 2HE MET 66 1HE MET 66 12.124 17.754 -3.397
528 3HE MET 66 3HE MET 66 13.309 18.529 -4.431
529 H SER 67 H SER 67 9.732 14.304 -8.566
530 HA SER 67 HA SER 67 8.014 16.053 -9.920
531 1HB SER 67 2HB SER 67 8.993 13.334 -10.898
532 2HB SER 67 1HB SER 67 8.543 14.695 -11.942
533 HG SER 67 HG SER 67 10.570 15.393 -11.574
534 HA PRO 68 HA PRO 68 4.099 13.750 -9.433
535 1HB PRO 68 2HB PRO 68 2.382 15.709 -10.170
536 2HB PRO 68 1HB PRO 68 3.180 15.736 -8.595
537 1HG PRO 68 2HG PRO 68 4.171 17.096 -11.180
538 2HG PRO 68 1HG PRO 68 3.806 17.891 -9.649
539 1HD PRO 68 2HD PRO 68 6.338 17.155 -10.158
540 2HD PRO 68 1HD PRO 68 5.704 16.825 -8.528
541 H GLY 69 H GLY 69 2.333 13.290 -10.979
542 1HA GLY 69 2HA GLY 69 1.484 12.846 -13.227
543 2HA GLY 69 1HA GLY 69 2.949 13.550 -13.901
544 H GLN 70 H GLN 70 4.823 12.276 -12.831
545 HA GLN 70 HA GLN 70 5.565 10.103 -14.238
546 1HB GLN 70 2HB GLN 70 6.101 10.182 -11.248
547 2HB GLN 70 1HB GLN 70 7.155 9.556 -12.499
548 1HG GLN 70 2HG GLN 70 6.473 12.489 -11.977
549 2HG GLN 70 1HG GLN 70 8.040 11.725 -11.895
550 1HE2 GLN 70 2HE2 GLN 70 7.006 13.464 -15.225
551 2HE2 GLN 70 1HE2 GLN 70 6.173 13.713 -13.748
552 H SER 71 H SER 71 4.480 8.365 -14.819
553 HA SER 71 HA SER 71 3.049 6.683 -12.768
554 1HB SER 71 2HB SER 71 1.808 7.659 -14.879
555 2HB SER 71 1HB SER 71 2.568 6.280 -15.700
556 HG SER 71 HG SER 71 1.631 4.882 -14.289
557 H THR 72 H THR 72 3.992 4.868 -12.233
558 HA THR 72 HA THR 72 5.923 3.546 -14.154
559 HB THR 72 HB THR 72 7.110 4.354 -12.273
560 HG1 THR 72 HG1 THR 72 7.266 1.849 -11.470
561 1HG2 THR 72 2HG2 THR 72 5.235 4.128 -10.515
562 2HG2 THR 72 1HG2 THR 72 5.414 2.385 -10.647
563 3HG2 THR 72 3HG2 THR 72 6.755 3.365 -10.060
564 H SER 73 H SER 73 5.764 1.372 -14.554
565 HA SER 73 HA SER 73 3.269 0.006 -13.719
566 1HB SER 73 2HB SER 73 3.599 -1.522 -15.471
567 2HB SER 73 1HB SER 73 4.435 -0.117 -16.108
568 HG SER 73 HG SER 73 6.256 -1.180 -14.653
569 H THR 74 H THR 74 3.083 -1.539 -12.278
570 HA THR 74 HA THR 74 5.543 -2.816 -11.040
571 HB THR 74 HB THR 74 4.514 -1.344 -9.270
572 HG1 THR 74 HG1 THR 74 3.743 -4.075 -9.151
573 1HG2 THR 74 2HG2 THR 74 2.046 -1.418 -10.150
574 2HG2 THR 74 1HG2 THR 74 2.021 -3.058 -9.489
575 3HG2 THR 74 3HG2 THR 74 2.320 -1.709 -8.439
576 H THR 75 H THR 75 4.984 -3.865 -13.075
577 HA THR 75 HA THR 75 2.726 -5.788 -13.032
578 HB THR 75 HB THR 75 3.562 -4.597 -15.150
579 HG1 THR 75 HG1 THR 75 3.871 -7.291 -15.689
580 1HG2 THR 75 3HG2 THR 75 5.683 -6.813 -15.048
581 2HG2 THR 75 2HG2 THR 75 5.390 -5.690 -16.366
582 3HG2 THR 75 1HG2 THR 75 6.041 -5.110 -14.845
583 H PHE 76 H PHE 76 2.810 -7.878 -12.821
584 HA PHE 76 HA PHE 76 5.336 -9.066 -11.667
585 1HB PHE 76 2HB PHE 76 2.483 -9.771 -11.136
586 2HB PHE 76 1HB PHE 76 3.842 -10.571 -10.378
587 HD1 PHE 76 HD1 PHE 76 2.015 -7.370 -10.690
588 HD2 PHE 76 HD2 PHE 76 5.013 -9.490 -8.555
589 HE1 PHE 76 HE1 PHE 76 2.028 -5.621 -9.005
590 HE2 PHE 76 HE2 PHE 76 5.032 -7.720 -6.847
591 HZ PHE 76 HZ PHE 76 3.534 -5.757 -7.080
592 HA PRO 77 HA PRO 77 4.973 -11.985 -15.166
593 1HB PRO 77 2HB PRO 77 7.565 -12.109 -15.782
594 2HB PRO 77 1HB PRO 77 6.547 -10.733 -16.284
595 1HG PRO 77 2HG PRO 77 8.379 -10.979 -13.794
596 2HG PRO 77 1HG PRO 77 8.425 -9.689 -14.998
597 1HD PRO 77 2HD PRO 77 7.036 -9.444 -12.656
598 2HD PRO 77 1HD PRO 77 6.430 -8.677 -14.137
599 H ALA 78 H ALA 78 6.736 -13.845 -15.552
600 HA ALA 78 HA ALA 78 6.429 -16.117 -14.433
601 1HB ALA 78 1HB ALA 78 8.391 -15.647 -15.868
602 2HB ALA 78 3HB ALA 78 9.216 -14.872 -14.521
603 3HB ALA 78 2HB ALA 78 8.900 -16.597 -14.483
604 H ASP 79 H ASP 79 8.261 -13.905 -12.383
605 HA ASP 79 HA ASP 79 8.096 -15.748 -10.083
606 1HB ASP 79 2HB ASP 79 10.206 -14.518 -10.851
607 2HB ASP 79 1HB ASP 79 9.424 -13.004 -10.425
608 H ALA 80 H ALA 80 5.747 -14.813 -11.091
609 HA ALA 80 HA ALA 80 4.574 -12.962 -9.044
610 1HB ALA 80 3HB ALA 80 4.295 -12.381 -11.412
611 2HB ALA 80 2HB ALA 80 3.535 -13.924 -11.730
612 3HB ALA 80 1HB ALA 80 2.720 -12.752 -10.718
613 HA PRO 81 HA PRO 81 2.554 -16.862 -7.529
614 1HB PRO 81 2HB PRO 81 3.204 -16.507 -4.857
615 2HB PRO 81 1HB PRO 81 4.270 -17.355 -5.990
616 1HG PRO 81 2HG PRO 81 4.369 -14.393 -5.174
617 2HG PRO 81 1HG PRO 81 5.694 -15.551 -5.163
618 1HD PRO 81 2HD PRO 81 5.358 -13.861 -7.218
619 2HD PRO 81 1HD PRO 81 5.917 -15.513 -7.551
620 H ALA 82 H ALA 82 0.887 -16.761 -5.557
621 HA ALA 82 HA ALA 82 -0.731 -14.285 -6.007
622 1HB ALA 82 2HB ALA 82 -1.696 -16.354 -6.852
623 2HB ALA 82 1HB ALA 82 -1.590 -17.103 -5.261
624 3HB ALA 82 3HB ALA 82 -2.681 -15.752 -5.535
625 H GLY 83 H GLY 83 -2.378 -13.887 -4.281
626 1HA GLY 83 2HA GLY 83 -2.837 -14.006 -1.748
627 2HA GLY 83 1HA GLY 83 -1.096 -13.870 -1.525
628 H GLU 84 H GLU 84 -2.158 -12.045 -0.103
629 HA GLU 84 HA GLU 84 -2.448 -9.603 -1.823
630 1HB GLU 84 2HB GLU 84 -4.315 -10.364 -0.243
631 2HB GLU 84 1HB GLU 84 -3.315 -9.806 1.079
632 1HG GLU 84 2HG GLU 84 -3.099 -7.526 -0.220
633 2HG GLU 84 1HG GLU 84 -4.092 -8.215 -1.433
634 H TYR 85 H TYR 85 -0.607 -8.760 -2.120
635 HA TYR 85 HA TYR 85 1.481 -8.521 -0.012
636 1HB TYR 85 2HB TYR 85 1.667 -7.360 -2.803
637 2HB TYR 85 1HB TYR 85 2.975 -7.800 -1.737
638 HD1 TYR 85 HD1 TYR 85 0.687 -10.625 -1.755
639 HD2 TYR 85 HD2 TYR 85 3.637 -8.575 -4.064
640 HE1 TYR 85 HE1 TYR 85 1.067 -12.631 -3.098
641 HE2 TYR 85 HE2 TYR 85 3.980 -10.644 -5.376
642 HH TYR 85 HH TYR 85 2.007 -12.916 -5.657
643 H THR 86 H THR 86 2.424 -6.582 0.715
644 HA THR 86 HA THR 86 0.659 -4.181 0.376
645 HB THR 86 HB THR 86 2.563 -4.373 2.735
646 HG1 THR 86 HG1 THR 86 1.361 -5.817 3.461
647 1HG2 THR 86 1HG2 THR 86 -0.270 -3.260 2.327
648 2HG2 THR 86 3HG2 THR 86 0.744 -3.053 3.745
649 3HG2 THR 86 2HG2 THR 86 1.167 -2.262 2.235
650 H PHE 87 H PHE 87 1.225 -2.416 -0.222
651 HA PHE 87 HA PHE 87 4.057 -1.790 -0.636
652 1HB PHE 87 2HB PHE 87 2.848 -0.027 -2.284
653 2HB PHE 87 1HB PHE 87 3.476 -1.595 -2.762
654 HD1 PHE 87 HD2 PHE 87 1.834 -3.555 -2.427
655 HD2 PHE 87 HD1 PHE 87 0.655 0.479 -2.798
656 HE1 PHE 87 HE2 PHE 87 -0.301 -4.301 -3.134
657 HE2 PHE 87 HE1 PHE 87 -1.559 -0.221 -3.534
658 HZ PHE 87 HZ PHE 87 -2.096 -2.632 -3.731
659 H TYR 88 H TYR 88 4.548 -0.239 1.149
660 HA TYR 88 HA TYR 88 2.478 1.794 1.675
661 1HB TYR 88 2HB TYR 88 3.536 1.956 3.936
662 2HB TYR 88 1HB TYR 88 3.153 0.277 3.589
663 HD1 TYR 88 HD1 TYR 88 5.861 2.780 3.704
664 HD2 TYR 88 HD2 TYR 88 4.865 -1.348 3.324
665 HE1 TYR 88 HE1 TYR 88 8.234 2.160 3.979
666 HE2 TYR 88 HE2 TYR 88 7.242 -1.914 3.598
667 HH TYR 88 HH TYR 88 9.238 -0.839 3.124
668 H CYS 89 H CYS 89 3.431 3.946 2.255
669 HA CYS 89 HA CYS 89 5.581 4.584 0.244
670 1HB CYS 89 2HB CYS 89 3.161 5.505 0.361
671 2HB CYS 89 1HB CYS 89 3.833 6.493 1.650
672 H GLU 90 H GLU 90 7.086 6.138 0.707
673 HA GLU 90 HA GLU 90 8.440 5.795 3.273
674 1HB GLU 90 2HB GLU 90 9.803 5.714 1.427
675 2HB GLU 90 1HB GLU 90 8.932 6.896 0.516
676 1HG GLU 90 2HG GLU 90 10.061 8.591 2.360
677 2HG GLU 90 1HG GLU 90 11.211 7.274 2.488
678 HA PRO 91 HA PRO 91 7.091 10.047 4.548
679 1HB PRO 91 2HB PRO 91 7.346 12.165 3.007
680 2HB PRO 91 1HB PRO 91 8.730 11.055 3.174
681 1HG PRO 91 2HG PRO 91 6.760 11.247 0.841
682 2HG PRO 91 1HG PRO 91 8.508 10.972 0.803
683 1HD PRO 91 2HD PRO 91 6.448 8.903 0.857
684 2HD PRO 91 1HD PRO 91 8.219 8.733 0.841
685 H HIS 92 HN HIP 92 4.725 8.609 3.938
686 HA HIS 92 HA HIP 92 2.837 10.884 3.868
687 1HB HIS 92 2HB HIP 92 3.046 8.678 1.857
688 2HB HIS 92 1HB HIP 92 1.441 9.345 2.085
689 HD2 HIS 92 HD2 HIP 92 2.830 12.588 2.324
690 HE1 HIS 92 HE1 HIP 92 3.500 11.695 -1.685
691 HE2 HIS 92 HE2 HIP 92 3.362 13.448 -0.013
692 H ARG 93 H ARG 93 0.463 10.481 3.728
693 HA ARG 93 HA ARG 93 -1.551 9.550 4.724
694 1HB ARG 93 2HB ARG 93 -0.514 7.305 4.665
695 2HB ARG 93 1HB ARG 93 0.162 7.570 6.248
696 1HG ARG 93 2HG ARG 93 -1.945 6.294 6.408
697 2HG ARG 93 1HG ARG 93 -2.054 7.813 7.255
698 1HD ARG 93 2HD ARG 93 -2.982 7.765 4.365
699 2HD ARG 93 1HD ARG 93 -3.995 7.003 5.585
700 HE ARG 93 HE ARG 93 -3.002 9.833 6.089
701 1HH1 ARG 93 2HH1 ARG 93 -4.456 9.188 8.008
702 2HH1 ARG 93 1HH1 ARG 93 -6.103 9.612 7.657
703 1HH2 ARG 93 1HH2 ARG 93 -5.153 9.596 4.294
704 2HH2 ARG 93 2HH2 ARG 93 -6.547 9.845 5.299
705 H GLY 94 H GLY 94 1.247 10.201 6.334
706 1HA GLY 94 2HA GLY 94 1.194 12.247 8.023
707 2HA GLY 94 1HA GLY 94 0.419 11.020 9.060
708 H ALA 95 H ALA 95 1.600 8.962 7.727
709 HA ALA 95 HA ALA 95 4.429 8.674 8.668
710 1HB ALA 95 1HB ALA 95 2.092 6.853 8.524
711 2HB ALA 95 3HB ALA 95 3.713 6.430 9.110
712 3HB ALA 95 2HB ALA 95 2.738 7.649 9.954
713 H GLY 96 H GLY 96 3.179 6.325 7.166
714 1HA GLY 96 2HA GLY 96 4.432 6.652 4.423
715 2HA GLY 96 1HA GLY 96 4.674 5.184 5.316
716 H MET 97 H MET 97 1.743 6.960 4.354
717 HA MET 97 HA MET 97 -0.340 5.376 4.104
718 1HB MET 97 2HB MET 97 -0.897 6.144 1.781
719 2HB MET 97 1HB MET 97 -0.218 7.474 2.686
720 1HG MET 97 2HG MET 97 1.981 6.779 1.749
721 2HG MET 97 1HG MET 97 1.116 5.746 0.637
722 1HE MET 97 1HE MET 97 -0.360 6.275 -1.006
723 2HE MET 97 3HE MET 97 -1.394 7.653 -0.591
724 3HE MET 97 2HE MET 97 -0.298 7.728 -1.963
725 H VAL 98 H VAL 98 -0.904 3.502 3.881
726 HA VAL 98 HA VAL 98 0.628 1.459 2.434
727 HB VAL 98 HB VAL 98 -0.409 -0.039 4.124
728 1HG1 VAL 98 3HG1 VAL 98 1.687 1.297 4.732
729 2HG1 VAL 98 2HG1 VAL 98 0.684 2.584 5.322
730 3HG1 VAL 98 1HG1 VAL 98 0.668 1.038 6.131
731 1HG2 VAL 98 3HG2 VAL 98 -2.598 1.252 4.387
732 2HG2 VAL 98 2HG2 VAL 98 -1.806 1.001 5.928
733 3HG2 VAL 98 1HG2 VAL 98 -1.730 2.557 5.155
734 H GLY 99 H GLY 99 0.018 0.329 0.694
735 1HA GLY 99 2HA GLY 99 -2.926 0.059 0.095
736 2HA GLY 99 1HA GLY 99 -1.716 0.286 -1.154
737 H LYS 100 H LYS 100 -3.606 -1.906 -0.857
738 HA LYS 100 HA LYS 100 -1.748 -4.206 -0.666
739 1HB LYS 100 2HB LYS 100 -4.521 -3.764 0.384
740 2HB LYS 100 1HB LYS 100 -4.153 -5.387 -0.131
741 1HG LYS 100 2HG LYS 100 -2.708 -3.794 2.029
742 2HG LYS 100 1HG LYS 100 -3.737 -5.197 2.296
743 1HD LYS 100 2HD LYS 100 -1.889 -6.165 0.404
744 2HD LYS 100 1HD LYS 100 -0.942 -5.020 1.277
745 1HE LYS 100 2HE LYS 100 -0.527 -7.092 2.271
746 2HE LYS 100 1HE LYS 100 -1.547 -6.208 3.407
747 1HZ LYS 100 3HZ LYS 100 -3.198 -7.507 1.516
748 2HZ LYS 100 2HZ LYS 100 -2.074 -8.626 2.017
749 3HZ LYS 100 1HZ LYS 100 -3.144 -7.873 3.120
750 H ILE 101 H ILE 101 -1.536 -5.466 -2.305
751 HA ILE 101 HA ILE 101 -3.514 -5.405 -4.588
752 HB ILE 101 HB ILE 101 -0.904 -4.770 -4.998
753 1HG1 ILE 101 2HG1 ILE 101 -2.699 -6.511 -6.696
754 2HG1 ILE 101 1HG1 ILE 101 -2.422 -4.793 -6.833
755 1HG2 ILE 101 2HG2 ILE 101 -0.092 -7.045 -4.042
756 2HG2 ILE 101 1HG2 ILE 101 -0.923 -7.796 -5.397
757 3HG2 ILE 101 3HG2 ILE 101 0.440 -6.742 -5.690
758 1HD1 ILE 101 2HD1 ILE 101 0.006 -5.283 -7.570
759 2HD1 ILE 101 1HD1 ILE 101 -0.370 -6.989 -7.551
760 3HD1 ILE 101 3HD1 ILE 101 -1.144 -5.958 -8.690
761 H THR 102 H THR 102 -4.686 -7.236 -4.723
762 HA THR 102 HA THR 102 -3.816 -9.744 -3.331
763 HB THR 102 HB THR 102 -6.505 -9.853 -4.616
764 HG1 THR 102 HG1 THR 102 -6.326 -8.077 -2.410
765 1HG2 THR 102 2HG2 THR 102 -5.713 -9.785 -1.685
766 2HG2 THR 102 1HG2 THR 102 -7.238 -10.322 -2.354
767 3HG2 THR 102 3HG2 THR 102 -5.782 -11.259 -2.643
768 H VAL 103 H VAL 103 -2.400 -10.670 -4.715
769 HA VAL 103 HA VAL 103 -2.789 -10.718 -7.623
770 HB VAL 103 HB VAL 103 -0.800 -12.291 -5.959
771 1HG1 VAL 103 1HG1 VAL 103 -0.735 -11.310 -8.847
772 2HG1 VAL 103 3HG1 VAL 103 0.557 -12.184 -8.055
773 3HG1 VAL 103 2HG1 VAL 103 -0.972 -12.975 -8.345
774 1HG2 VAL 103 1HG2 VAL 103 -0.402 -9.471 -7.006
775 2HG2 VAL 103 3HG2 VAL 103 -0.518 -9.957 -5.329
776 3HG2 VAL 103 2HG2 VAL 103 0.830 -10.493 -6.308
777 H ALA 104 H ALA 104 -3.603 -12.280 -8.765
778 HA ALA 104 HA ALA 104 -4.769 -14.658 -7.388
779 1HB ALA 104 2HB ALA 104 -6.373 -13.002 -8.251
780 2HB ALA 104 1HB ALA 104 -5.664 -13.106 -9.848
781 3HB ALA 104 3HB ALA 104 -6.529 -14.479 -9.192
782 H GLY 105 HN GLY 105 -5.515 -16.028 -9.678
783 1HA GLY 105 2HA GLY 105 -3.059 -16.987 -11.046
784 2HA GLY 105 1HA GLY 105 -4.169 -18.124 -10.265
No H/Q in entry = 784
Start of MODEL 20
1 1H GLU 1 3H GLU 1 -4.870 -5.259 -16.376
2 2H GLU 1 2H GLU 1 -5.474 -5.611 -17.916
3 3H GLU 1 1H GLU 1 -4.305 -6.590 -17.177
4 HA GLU 1 HA GLU 1 -2.626 -5.370 -17.978
5 1HB GLU 1 2HB GLU 1 -4.145 -5.174 -19.942
6 2HB GLU 1 1HB GLU 1 -4.863 -3.732 -19.241
7 1HG GLU 1 2HG GLU 1 -2.717 -2.507 -19.413
8 2HG GLU 1 1HG GLU 1 -1.867 -3.967 -19.925
9 H THR 2 H THR 2 -1.526 -3.172 -17.849
10 HA THR 2 HA THR 2 -1.609 -2.039 -15.269
11 HB THR 2 HB THR 2 0.114 -1.998 -17.396
12 HG1 THR 2 HG1 THR 2 0.740 -0.077 -15.703
13 1HG2 THR 2 3HG2 THR 2 -0.627 0.868 -16.940
14 2HG2 THR 2 2HG2 THR 2 0.691 0.192 -17.878
15 3HG2 THR 2 1HG2 THR 2 -0.976 0.000 -18.436
16 H TYR 3 H TYR 3 -3.596 -1.813 -14.707
17 HA TYR 3 HA TYR 3 -5.281 0.396 -15.595
18 1HB TYR 3 2HB TYR 3 -5.381 -0.716 -12.733
19 2HB TYR 3 1HB TYR 3 -6.732 -0.196 -13.719
20 HD1 TYR 3 HD2 TYR 3 -7.479 -1.658 -15.643
21 HD2 TYR 3 HD1 TYR 3 -4.593 -2.952 -12.796
22 HE1 TYR 3 HE2 TYR 3 -7.779 -4.019 -16.353
23 HE2 TYR 3 HE1 TYR 3 -4.918 -5.286 -13.537
24 HH TYR 3 HH TYR 3 -5.841 -6.562 -15.001
25 H THR 4 H THR 4 -5.252 2.543 -14.887
26 HA THR 4 HA THR 4 -2.882 3.427 -13.414
27 HB THR 4 HB THR 4 -3.732 5.718 -14.157
28 HG1 THR 4 HG1 THR 4 -5.916 4.916 -14.049
29 1HG2 THR 4 1HG2 THR 4 -2.421 4.213 -15.837
30 2HG2 THR 4 3HG2 THR 4 -3.981 3.608 -16.360
31 3HG2 THR 4 2HG2 THR 4 -3.594 5.300 -16.570
32 H VAL 5 H VAL 5 -2.987 3.131 -11.347
33 HA VAL 5 HA VAL 5 -5.317 4.122 -9.772
34 HB VAL 5 HB VAL 5 -2.719 2.730 -8.915
35 1HG1 VAL 5 2HG1 VAL 5 -5.374 3.121 -7.426
36 2HG1 VAL 5 1HG1 VAL 5 -3.992 2.244 -6.813
37 3HG1 VAL 5 3HG1 VAL 5 -3.890 3.971 -7.062
38 1HG2 VAL 5 2HG2 VAL 5 -5.496 1.535 -9.364
39 2HG2 VAL 5 1HG2 VAL 5 -4.090 1.255 -10.382
40 3HG2 VAL 5 3HG2 VAL 5 -4.107 0.668 -8.729
41 H LYS 6 H LYS 6 -5.099 6.023 -8.531
42 HA LYS 6 HA LYS 6 -2.487 7.487 -8.869
43 1HB LYS 6 2HB LYS 6 -5.268 8.677 -8.652
44 2HB LYS 6 1HB LYS 6 -3.774 9.545 -8.944
45 1HG LYS 6 2HG LYS 6 -3.486 8.153 -11.083
46 2HG LYS 6 1HG LYS 6 -5.078 7.504 -10.808
47 1HD LYS 6 2HD LYS 6 -5.299 9.354 -12.414
48 2HD LYS 6 1HD LYS 6 -6.075 9.808 -10.922
49 1HE LYS 6 2HE LYS 6 -3.193 10.604 -11.187
50 2HE LYS 6 1HE LYS 6 -4.327 11.437 -12.247
51 1HZ LYS 6 2HZ LYS 6 -5.491 11.231 -9.668
52 2HZ LYS 6 1HZ LYS 6 -4.009 11.770 -9.396
53 3HZ LYS 6 3HZ LYS 6 -4.969 12.674 -10.363
54 H LEU 7 H LEU 7 -1.569 8.423 -7.270
55 HA LEU 7 HA LEU 7 -2.856 8.368 -4.562
56 1HB LEU 7 2HB LEU 7 -0.337 7.779 -3.810
57 2HB LEU 7 1HB LEU 7 -1.440 6.538 -4.355
58 HG LEU 7 HG LEU 7 -0.416 6.568 -6.605
59 1HD1 LEU 7 3HD1 LEU 7 1.376 8.663 -5.398
60 2HD1 LEU 7 2HD1 LEU 7 1.631 7.885 -6.958
61 3HD1 LEU 7 1HD1 LEU 7 0.208 8.860 -6.664
62 1HD2 LEU 7 1HD2 LEU 7 1.678 6.398 -4.383
63 2HD2 LEU 7 3HD2 LEU 7 0.600 5.095 -4.856
64 3HD2 LEU 7 2HD2 LEU 7 1.809 5.692 -5.977
65 H GLY 8 H GLY 8 -2.554 9.959 -3.225
66 1HA GLY 8 2HA GLY 8 -1.263 11.977 -2.350
67 2HA GLY 8 1HA GLY 8 -0.765 12.291 -3.990
68 H SER 9 H SER 9 -3.784 12.142 -2.102
69 HA SER 9 HA SER 9 -5.734 13.485 -2.190
70 1HB SER 9 2HB SER 9 -4.301 15.168 -1.315
71 2HB SER 9 1HB SER 9 -3.529 15.467 -2.862
72 HG SER 9 HG SER 9 -6.010 16.290 -1.884
73 H ASP 10 H ASP 10 -6.039 11.928 -3.961
74 HA ASP 10 HA ASP 10 -6.336 13.211 -6.610
75 1HB ASP 10 2HB ASP 10 -5.887 10.557 -5.586
76 2HB ASP 10 1HB ASP 10 -7.524 10.535 -6.172
77 H LYS 11 H LYS 11 -8.572 11.298 -4.608
78 HA LYS 11 HA LYS 11 -10.730 13.285 -5.236
79 1HB LYS 11 2HB LYS 11 -11.321 10.802 -3.627
80 2HB LYS 11 1HB LYS 11 -12.274 11.541 -4.879
81 1HG LYS 11 2HG LYS 11 -9.898 9.715 -5.158
82 2HG LYS 11 1HG LYS 11 -11.501 9.382 -5.694
83 1HD LYS 11 2HD LYS 11 -11.341 11.174 -7.441
84 2HD LYS 11 1HD LYS 11 -9.713 11.556 -6.969
85 1HE LYS 11 2HE LYS 11 -10.651 9.009 -8.269
86 2HE LYS 11 1HE LYS 11 -9.538 10.221 -8.911
87 1HZ LYS 11 1HZ LYS 11 -8.648 9.217 -6.365
88 2HZ LYS 11 3HZ LYS 11 -8.866 7.975 -7.337
89 3HZ LYS 11 2HZ LYS 11 -7.813 9.222 -7.801
90 H GLY 12 H GLY 12 -8.800 14.201 -3.599
91 1HA GLY 12 2HA GLY 12 -9.485 15.815 -1.693
92 2HA GLY 12 1HA GLY 12 -10.054 14.407 -0.859
93 H LEU 13 H LEU 13 -8.256 12.810 -0.336
94 HA LEU 13 HA LEU 13 -5.906 14.356 0.728
95 1HB LEU 13 2HB LEU 13 -6.021 12.367 2.514
96 2HB LEU 13 1HB LEU 13 -7.060 13.765 2.601
97 HG LEU 13 HG LEU 13 -8.941 12.540 1.615
98 1HD1 LEU 13 3HD1 LEU 13 -7.581 11.027 0.056
99 2HD1 LEU 13 2HD1 LEU 13 -7.015 10.206 1.491
100 3HD1 LEU 13 1HD1 LEU 13 -8.705 10.138 1.057
101 1HD2 LEU 13 2HD2 LEU 13 -7.488 10.909 3.737
102 2HD2 LEU 13 1HD2 LEU 13 -8.518 12.296 4.036
103 3HD2 LEU 13 3HD2 LEU 13 -9.199 10.827 3.369
104 H LEU 14 H LEU 14 -3.914 13.152 1.414
105 HA LEU 14 HA LEU 14 -2.899 11.534 -0.871
106 1HB LEU 14 2HB LEU 14 -0.677 11.939 0.241
107 2HB LEU 14 1HB LEU 14 -1.475 13.390 -0.300
108 HG LEU 14 HG LEU 14 -1.885 12.502 2.574
109 1HD1 LEU 14 3HD1 LEU 14 0.581 13.913 1.407
110 2HD1 LEU 14 2HD1 LEU 14 0.256 13.671 3.113
111 3HD1 LEU 14 1HD1 LEU 14 0.559 12.296 2.076
112 1HD2 LEU 14 1HD2 LEU 14 -2.971 14.659 1.547
113 2HD2 LEU 14 3HD2 LEU 14 -1.851 14.992 2.849
114 3HD2 LEU 14 2HD2 LEU 14 -1.350 15.201 1.186
115 H VAL 15 H VAL 15 -4.428 10.037 -0.044
116 HA VAL 15 HA VAL 15 -3.193 7.926 1.694
117 HB VAL 15 HB VAL 15 -6.042 8.606 0.936
118 1HG1 VAL 15 2HG1 VAL 15 -5.149 6.434 2.840
119 2HG1 VAL 15 1HG1 VAL 15 -6.784 7.001 2.612
120 3HG1 VAL 15 3HG1 VAL 15 -5.977 6.186 1.303
121 1HG2 VAL 15 3HG2 VAL 15 -4.469 8.764 3.569
122 2HG2 VAL 15 2HG2 VAL 15 -4.962 10.136 2.610
123 3HG2 VAL 15 1HG2 VAL 15 -6.173 9.161 3.417
124 H PHE 16 H PHE 16 -4.211 5.713 0.873
125 HA PHE 16 HA PHE 16 -3.666 5.441 -2.075
126 1HB PHE 16 2HB PHE 16 -3.107 3.684 0.299
127 2HB PHE 16 1HB PHE 16 -3.255 2.948 -1.278
128 HD1 PHE 16 HD2 PHE 16 -1.759 6.148 -1.919
129 HD2 PHE 16 HD1 PHE 16 -1.022 2.326 -0.279
130 HE1 PHE 16 HE2 PHE 16 0.658 6.423 -2.319
131 HE2 PHE 16 HE1 PHE 16 1.382 2.605 -0.660
132 HZ PHE 16 HZ PHE 16 2.219 4.600 -1.664
133 H GLU 17 H GLU 17 -5.554 5.481 -3.150
134 HA GLU 17 HA GLU 17 -7.706 3.629 -2.278
135 1HB GLU 17 2HB GLU 17 -9.157 5.043 -3.690
136 2HB GLU 17 1HB GLU 17 -8.201 6.090 -2.666
137 1HG GLU 17 2HG GLU 17 -6.579 6.478 -4.577
138 2HG GLU 17 1HG GLU 17 -7.537 5.427 -5.592
139 HA PRO 18 HA PRO 18 -9.131 2.314 -2.825
140 1HB PRO 18 2HB PRO 18 -10.371 0.235 -3.889
141 2HB PRO 18 1HB PRO 18 -10.524 1.834 -4.646
142 1HG PRO 18 2HG PRO 18 -8.519 -0.402 -5.359
143 2HG PRO 18 1HG PRO 18 -9.658 0.384 -6.462
144 1HD PRO 18 2HD PRO 18 -7.042 1.272 -6.211
145 2HD PRO 18 1HD PRO 18 -8.365 2.413 -6.528
146 H ALA 19 H ALA 19 -7.226 1.831 -1.432
147 HA ALA 19 HA ALA 19 -5.517 0.387 -0.556
148 1HB ALA 19 2HB ALA 19 -7.093 1.345 1.006
149 2HB ALA 19 1HB ALA 19 -8.237 0.039 0.741
150 3HB ALA 19 3HB ALA 19 -6.707 -0.276 1.544
151 H LYS 20 H LYS 20 -8.196 -1.659 -1.318
152 HA LYS 20 HA LYS 20 -6.481 -4.134 -1.077
153 1HB LYS 20 2HB LYS 20 -8.211 -4.770 0.307
154 2HB LYS 20 1HB LYS 20 -9.061 -3.314 -0.052
155 1HG LYS 20 2HG LYS 20 -10.670 -4.757 -0.551
156 2HG LYS 20 1HG LYS 20 -10.080 -4.618 -2.136
157 1HD LYS 20 2HD LYS 20 -9.784 -6.871 -0.087
158 2HD LYS 20 1HD LYS 20 -10.470 -6.993 -1.682
159 1HE LYS 20 2HE LYS 20 -7.532 -6.882 -1.003
160 2HE LYS 20 1HE LYS 20 -8.441 -8.270 -1.564
161 1HZ LYS 20 3HZ LYS 20 -8.828 -6.004 -3.303
162 2HZ LYS 20 2HZ LYS 20 -7.173 -6.375 -3.088
163 3HZ LYS 20 1HZ LYS 20 -8.195 -7.520 -3.736
164 H LEU 21 H LEU 21 -5.553 -3.862 -3.205
165 HA LEU 21 HA LEU 21 -7.409 -3.962 -5.564
166 1HB LEU 21 2HB LEU 21 -5.325 -2.414 -5.298
167 2HB LEU 21 1HB LEU 21 -4.396 -3.816 -5.742
168 HG LEU 21 HG LEU 21 -6.300 -2.143 -7.405
169 1HD1 LEU 21 2HD1 LEU 21 -3.870 -1.787 -7.534
170 2HD1 LEU 21 1HD1 LEU 21 -3.624 -3.461 -7.975
171 3HD1 LEU 21 3HD1 LEU 21 -4.476 -2.389 -9.064
172 1HD2 LEU 21 2HD2 LEU 21 -5.668 -5.029 -8.172
173 2HD2 LEU 21 1HD2 LEU 21 -7.262 -4.399 -7.807
174 3HD2 LEU 21 3HD2 LEU 21 -6.409 -3.831 -9.202
175 H THR 22 H THR 22 -7.882 -5.822 -6.600
176 HA THR 22 HA THR 22 -6.030 -8.201 -6.300
177 HB THR 22 HB THR 22 -9.020 -8.218 -7.179
178 HG1 THR 22 HG1 THR 22 -8.620 -9.481 -4.976
179 1HG2 THR 22 3HG2 THR 22 -7.495 -10.246 -7.783
180 2HG2 THR 22 2HG2 THR 22 -7.167 -10.439 -6.081
181 3HG2 THR 22 1HG2 THR 22 -8.794 -10.648 -6.687
182 H ILE 23 H ILE 23 -4.695 -7.486 -7.826
183 HA ILE 23 HA ILE 23 -5.464 -6.849 -10.573
184 HB ILE 23 HB ILE 23 -2.542 -6.683 -10.344
185 1HG1 ILE 23 2HG1 ILE 23 -3.718 -5.553 -7.910
186 2HG1 ILE 23 1HG1 ILE 23 -2.956 -7.128 -8.111
187 1HG2 ILE 23 1HG2 ILE 23 -4.639 -4.524 -10.099
188 2HG2 ILE 23 3HG2 ILE 23 -2.954 -4.309 -10.500
189 3HG2 ILE 23 2HG2 ILE 23 -4.008 -5.153 -11.606
190 1HD1 ILE 23 1HD1 ILE 23 -1.547 -4.562 -8.939
191 2HD1 ILE 23 3HD1 ILE 23 -1.320 -5.374 -7.402
192 3HD1 ILE 23 2HD1 ILE 23 -0.907 -6.192 -8.897
193 H LYS 24 H LYS 24 -2.764 -8.216 -10.035
194 HA LYS 24 HA LYS 24 -2.478 -9.777 -12.338
195 1HB LYS 24 2HB LYS 24 -1.028 -9.580 -9.672
196 2HB LYS 24 1HB LYS 24 -0.386 -10.701 -10.848
197 1HG LYS 24 2HG LYS 24 0.307 -9.019 -12.237
198 2HG LYS 24 1HG LYS 24 -1.022 -7.934 -11.881
199 1HD LYS 24 2HD LYS 24 0.171 -7.656 -9.551
200 2HD LYS 24 1HD LYS 24 1.465 -8.563 -10.272
201 1HE LYS 24 2HE LYS 24 1.892 -6.946 -11.946
202 2HE LYS 24 1HE LYS 24 0.467 -6.001 -11.570
203 1HZ LYS 24 2HZ LYS 24 2.175 -6.409 -9.242
204 2HZ LYS 24 1HZ LYS 24 3.024 -5.609 -10.439
205 3HZ LYS 24 3HZ LYS 24 1.589 -4.964 -9.927
206 HA PRO 25 HA PRO 25 -2.512 -13.880 -11.460
207 1HB PRO 25 2HB PRO 25 -3.864 -14.971 -13.458
208 2HB PRO 25 1HB PRO 25 -4.784 -14.329 -12.088
209 1HG PRO 25 2HG PRO 25 -4.212 -12.954 -14.784
210 2HG PRO 25 1HG PRO 25 -5.764 -13.083 -13.956
211 1HD PRO 25 2HD PRO 25 -4.016 -10.846 -13.721
212 2HD PRO 25 1HD PRO 25 -5.304 -11.244 -12.568
213 H GLY 26 H GLY 26 -0.991 -11.872 -12.199
214 1HA GLY 26 2HA GLY 26 1.281 -11.830 -13.215
215 2HA GLY 26 1HA GLY 26 0.697 -12.942 -14.451
216 H ASP 27 H ASP 27 -0.801 -10.043 -13.344
217 HA ASP 27 HA ASP 27 -0.709 -8.882 -16.081
218 1HB ASP 27 2HB ASP 27 -2.959 -9.495 -15.023
219 2HB ASP 27 1HB ASP 27 -2.640 -8.289 -13.785
220 H THR 28 H THR 28 -0.815 -6.573 -16.287
221 HA THR 28 HA THR 28 1.263 -5.189 -14.695
222 HB THR 28 HB THR 28 0.009 -4.115 -17.202
223 HG1 THR 28 HG1 THR 28 1.758 -6.238 -16.780
224 1HG2 THR 28 2HG2 THR 28 1.659 -2.677 -15.701
225 2HG2 THR 28 1HG2 THR 28 2.818 -3.947 -15.944
226 3HG2 THR 28 3HG2 THR 28 2.238 -3.039 -17.312
227 H VAL 29 H VAL 29 0.917 -3.638 -13.411
228 HA VAL 29 HA VAL 29 -1.738 -2.363 -13.110
229 HB VAL 29 HB VAL 29 -1.128 -3.914 -11.463
230 1HG1 VAL 29 2HG1 VAL 29 1.162 -3.381 -11.254
231 2HG1 VAL 29 1HG1 VAL 29 0.821 -1.800 -10.585
232 3HG1 VAL 29 3HG1 VAL 29 0.384 -3.223 -9.657
233 1HG2 VAL 29 3HG2 VAL 29 -2.820 -2.047 -11.080
234 2HG2 VAL 29 2HG2 VAL 29 -1.949 -2.345 -9.589
235 3HG2 VAL 29 1HG2 VAL 29 -1.524 -0.980 -10.595
236 H GLU 30 H GLU 30 -1.550 0.137 -12.936
237 HA GLU 30 HA GLU 30 1.162 1.227 -13.134
238 1HB GLU 30 2HB GLU 30 -0.515 1.335 -15.008
239 2HB GLU 30 1HB GLU 30 -1.387 2.484 -14.067
240 1HG GLU 30 2HG GLU 30 0.161 3.802 -15.472
241 2HG GLU 30 1HG GLU 30 0.861 3.835 -13.872
242 H PHE 31 H PHE 31 1.875 2.561 -11.482
243 HA PHE 31 HA PHE 31 -0.190 3.709 -9.587
244 1HB PHE 31 2HB PHE 31 2.782 3.440 -9.018
245 2HB PHE 31 1HB PHE 31 1.511 3.715 -7.862
246 HD1 PHE 31 HD1 PHE 31 -0.421 1.517 -8.721
247 HD2 PHE 31 HD2 PHE 31 3.794 1.521 -8.190
248 HE1 PHE 31 HE1 PHE 31 -0.476 -0.881 -8.222
249 HE2 PHE 31 HE2 PHE 31 3.753 -0.862 -7.698
250 HZ PHE 31 HZ PHE 31 1.610 -2.087 -7.706
251 H LEU 32 H LEU 32 -0.589 5.773 -10.067
252 HA LEU 32 HA LEU 32 1.460 7.541 -11.185
253 1HB LEU 32 2HB LEU 32 -0.414 7.107 -12.651
254 2HB LEU 32 1HB LEU 32 -1.543 7.374 -11.357
255 HG LEU 32 HG LEU 32 -1.043 9.805 -11.360
256 1HD1 LEU 32 3HD1 LEU 32 0.836 9.096 -13.658
257 2HD1 LEU 32 2HD1 LEU 32 0.420 10.710 -13.120
258 3HD1 LEU 32 1HD1 LEU 32 1.343 9.663 -12.073
259 1HD2 LEU 32 2HD2 LEU 32 -2.747 8.858 -13.010
260 2HD2 LEU 32 1HD2 LEU 32 -1.916 10.265 -13.668
261 3HD2 LEU 32 3HD2 LEU 32 -1.452 8.656 -14.170
262 H ASN 33 H ASN 33 2.272 9.186 -10.169
263 HA ASN 33 HA ASN 33 1.372 10.090 -7.546
264 1HB ASN 33 2HB ASN 33 3.644 10.841 -9.390
265 2HB ASN 33 1HB ASN 33 3.515 11.416 -7.738
266 1HD2 ASN 33 2HD2 ASN 33 5.013 8.454 -6.651
267 2HD2 ASN 33 1HD2 ASN 33 4.989 10.156 -6.489
268 H ASN 34 H ASN 34 0.005 11.544 -7.127
269 HA ASN 34 HA ASN 34 -0.797 13.589 -9.138
270 1HB ASN 34 2HB ASN 34 -2.315 11.824 -8.108
271 2HB ASN 34 1HB ASN 34 -2.158 12.614 -6.578
272 1HD2 ASN 34 2HD2 ASN 34 -4.648 14.860 -7.305
273 2HD2 ASN 34 1HD2 ASN 34 -3.564 14.254 -6.140
274 H LYS 35 H LYS 35 -1.287 14.195 -5.703
275 HA LYS 35 HA LYS 35 0.291 16.738 -5.959
276 1HB LYS 35 2HB LYS 35 -2.035 16.147 -4.123
277 2HB LYS 35 1HB LYS 35 -1.314 17.719 -4.349
278 1HG LYS 35 2HG LYS 35 -2.283 18.051 -6.482
279 2HG LYS 35 1HG LYS 35 -2.609 16.339 -6.714
280 1HD LYS 35 2HD LYS 35 -4.076 16.422 -4.623
281 2HD LYS 35 1HD LYS 35 -3.881 18.152 -4.560
282 1HE LYS 35 2HE LYS 35 -5.221 18.467 -6.495
283 2HE LYS 35 1HE LYS 35 -5.069 16.775 -6.974
284 1HZ LYS 35 1HZ LYS 35 -5.960 16.764 -4.327
285 2HZ LYS 35 3HZ LYS 35 -6.999 17.851 -5.124
286 3HZ LYS 35 2HZ LYS 35 -6.776 16.230 -5.626
287 H VAL 36 H VAL 36 0.430 17.568 -3.461
288 HA VAL 36 HA VAL 36 2.200 17.454 -1.814
289 HB VAL 36 HB VAL 36 0.131 15.468 -0.848
290 1HG1 VAL 36 1HG1 VAL 36 1.879 17.496 0.636
291 2HG1 VAL 36 3HG1 VAL 36 0.671 16.470 1.379
292 3HG1 VAL 36 2HG1 VAL 36 2.094 15.757 0.657
293 1HG2 VAL 36 2HG2 VAL 36 0.080 18.534 -0.765
294 2HG2 VAL 36 1HG2 VAL 36 -0.991 17.539 -1.741
295 3HG2 VAL 36 3HG2 VAL 36 -1.091 17.485 0.004
296 HA PRO 37 HA PRO 37 4.304 13.550 -2.989
297 1HB PRO 37 2HB PRO 37 6.650 14.561 -3.902
298 2HB PRO 37 1HB PRO 37 5.151 14.790 -4.827
299 1HG PRO 37 2HG PRO 37 6.368 16.682 -2.719
300 2HG PRO 37 1HG PRO 37 6.036 17.075 -4.408
301 1HD PRO 37 2HD PRO 37 4.220 17.629 -2.462
302 2HD PRO 37 1HD PRO 37 3.646 17.042 -4.046
303 HA PRO 38 HA PRO 38 6.176 12.499 -3.573
304 1HB PRO 38 2HB PRO 38 8.344 11.060 -3.404
305 2HB PRO 38 1HB PRO 38 8.505 12.814 -3.265
306 1HG PRO 38 2HG PRO 38 8.374 10.788 -0.950
307 2HG PRO 38 1HG PRO 38 9.548 12.083 -1.186
308 1HD PRO 38 2HD PRO 38 7.132 12.310 0.334
309 2HD PRO 38 1HD PRO 38 8.078 13.691 -0.254
310 H HIS 39 HN HIP 39 5.492 10.548 -4.323
311 HA HIS 39 HA HIP 39 4.393 8.627 -2.260
312 1HB HIS 39 2HB HIP 39 3.233 9.251 -4.893
313 2HB HIS 39 1HB HIP 39 2.554 8.230 -3.626
314 HD2 HIS 39 HD2 HIP 39 2.234 11.633 -4.865
315 HE1 HIS 39 HE1 HIP 39 1.591 12.106 -0.791
316 HE2 HIS 39 HE2 HIP 39 1.449 13.110 -3.015
317 H ASN 40 H ASN 40 6.389 7.386 -2.419
318 HA ASN 40 HA ASN 40 6.586 5.710 -4.918
319 1HB ASN 40 2HB ASN 40 8.664 7.062 -3.729
320 2HB ASN 40 1HB ASN 40 8.645 5.644 -2.706
321 1HD2 ASN 40 2HD2 ASN 40 10.401 5.192 -6.104
322 2HD2 ASN 40 1HD2 ASN 40 10.245 6.710 -5.342
323 H VAL 41 H VAL 41 6.721 3.368 -4.576
324 HA VAL 41 HA VAL 41 5.393 2.608 -1.985
325 HB VAL 41 HB VAL 41 4.666 0.586 -3.014
326 1HG1 VAL 41 3HG1 VAL 41 3.694 3.232 -4.271
327 2HG1 VAL 41 2HG1 VAL 41 2.746 1.755 -4.266
328 3HG1 VAL 41 1HG1 VAL 41 3.142 2.546 -2.754
329 1HG2 VAL 41 3HG2 VAL 41 5.393 2.036 -5.660
330 2HG2 VAL 41 2HG2 VAL 41 6.112 0.537 -5.111
331 3HG2 VAL 41 1HG2 VAL 41 4.429 0.577 -5.585
332 H VAL 42 H VAL 42 6.626 1.708 -0.648
333 HA VAL 42 HA VAL 42 8.822 -0.055 -1.597
334 HB VAL 42 HB VAL 42 8.405 0.778 1.310
335 1HG1 VAL 42 2HG1 VAL 42 10.230 -0.773 0.491
336 2HG1 VAL 42 1HG1 VAL 42 10.775 0.504 -0.584
337 3HG1 VAL 42 3HG1 VAL 42 10.924 0.690 1.139
338 1HG2 VAL 42 3HG2 VAL 42 9.668 2.534 -0.882
339 2HG2 VAL 42 2HG2 VAL 42 8.175 2.920 -0.054
340 3HG2 VAL 42 1HG2 VAL 42 9.673 2.893 0.829
341 H PHE 43 H PHE 43 8.473 -2.242 -1.204
342 HA PHE 43 HA PHE 43 5.778 -3.011 -0.406
343 1HB PHE 43 2HB PHE 43 7.918 -4.262 -2.019
344 2HB PHE 43 1HB PHE 43 6.815 -5.358 -1.202
345 HD1 PHE 43 HD1 PHE 43 6.794 -2.235 -3.310
346 HD2 PHE 43 HD2 PHE 43 4.736 -5.803 -2.229
347 HE1 PHE 43 HE1 PHE 43 5.108 -1.771 -5.005
348 HE2 PHE 43 HE2 PHE 43 3.051 -5.341 -3.926
349 HZ PHE 43 HZ PHE 43 3.223 -3.312 -5.325
350 H ASP 44 H ASP 44 5.283 -4.478 0.955
351 HA ASP 44 HA ASP 44 6.799 -4.622 3.453
352 1HB ASP 44 2HB ASP 44 4.740 -4.071 4.151
353 2HB ASP 44 1HB ASP 44 4.151 -4.258 2.522
354 H ALA 45 H ALA 45 7.108 -6.063 4.762
355 HA ALA 45 HA ALA 45 7.420 -8.896 4.044
356 1HB ALA 45 3HB ALA 45 9.470 -7.666 4.270
357 2HB ALA 45 2HB ALA 45 9.000 -7.145 5.884
358 3HB ALA 45 1HB ALA 45 9.333 -8.845 5.574
359 H ALA 46 H ALA 46 5.508 -7.070 5.909
360 HA ALA 46 HA ALA 46 5.373 -8.867 8.275
361 1HB ALA 46 1HB ALA 46 4.317 -6.087 7.783
362 2HB ALA 46 3HB ALA 46 4.158 -6.954 9.300
363 3HB ALA 46 2HB ALA 46 5.749 -6.511 8.698
364 H LEU 47 H LEU 47 3.190 -7.253 6.125
365 HA LEU 47 HA LEU 47 0.928 -9.059 6.725
366 1HB LEU 47 2HB LEU 47 0.798 -6.507 5.121
367 2HB LEU 47 1HB LEU 47 -0.447 -7.192 6.142
368 HG LEU 47 HG LEU 47 2.162 -5.895 7.088
369 1HD1 LEU 47 1HD1 LEU 47 -0.690 -4.904 7.169
370 2HD1 LEU 47 3HD1 LEU 47 0.717 -4.102 7.859
371 3HD1 LEU 47 2HD1 LEU 47 0.604 -4.320 6.124
372 1HD2 LEU 47 3HD2 LEU 47 -0.257 -6.872 8.663
373 2HD2 LEU 47 2HD2 LEU 47 1.311 -7.663 8.647
374 3HD2 LEU 47 1HD2 LEU 47 1.151 -6.060 9.335
375 H ASN 48 H ASN 48 2.804 -10.206 4.876
376 HA ASN 48 HA ASN 48 1.074 -10.266 2.434
377 1HB ASN 48 2HB ASN 48 3.122 -10.459 1.059
378 2HB ASN 48 1HB ASN 48 3.333 -9.129 2.174
379 1HD2 ASN 48 2HD2 ASN 48 6.328 -10.490 3.252
380 2HD2 ASN 48 1HD2 ASN 48 5.392 -9.099 2.943
381 HA PRO 49 HA PRO 49 -0.073 -14.279 3.011
382 1HB PRO 49 2HB PRO 49 -0.367 -15.265 0.463
383 2HB PRO 49 1HB PRO 49 -1.349 -13.919 1.055
384 1HG PRO 49 2HG PRO 49 1.343 -13.719 -0.427
385 2HG PRO 49 1HG PRO 49 -0.166 -13.033 -0.965
386 1HD PRO 49 2HD PRO 49 1.399 -11.430 0.407
387 2HD PRO 49 1HD PRO 49 -0.287 -11.552 0.958
388 H ALA 50 H ALA 50 2.538 -14.337 0.692
389 HA ALA 50 HA ALA 50 3.471 -16.984 1.673
390 1HB ALA 50 1HB ALA 50 3.274 -16.501 -0.796
391 2HB ALA 50 3HB ALA 50 4.387 -15.153 -0.610
392 3HB ALA 50 2HB ALA 50 4.958 -16.792 -0.356
393 H LYS 51 H LYS 51 3.539 -14.980 3.451
394 HA LYS 51 HA LYS 51 5.004 -13.364 4.496
395 1HB LYS 51 2HB LYS 51 4.092 -15.407 5.717
396 2HB LYS 51 1HB LYS 51 5.588 -16.235 5.356
397 1HG LYS 51 2HG LYS 51 5.695 -15.402 7.642
398 2HG LYS 51 1HG LYS 51 6.877 -14.553 6.667
399 1HD LYS 51 2HD LYS 51 4.985 -12.731 6.303
400 2HD LYS 51 1HD LYS 51 4.114 -13.560 7.574
401 1HE LYS 51 2HE LYS 51 5.887 -13.092 9.143
402 2HE LYS 51 1HE LYS 51 6.946 -12.520 7.849
403 1HZ LYS 51 3HZ LYS 51 4.413 -11.198 7.658
404 2HZ LYS 51 2HZ LYS 51 4.995 -10.966 9.205
405 3HZ LYS 51 1HZ LYS 51 5.960 -10.572 7.851
406 H SER 52 H SER 52 6.247 -13.064 2.498
407 HA SER 52 HA SER 52 9.090 -13.926 2.546
408 1HB SER 52 2HB SER 52 9.248 -12.990 0.297
409 2HB SER 52 1HB SER 52 7.700 -13.809 0.417
410 HG SER 52 HG SER 52 7.294 -11.405 1.444
411 H ALA 53 H ALA 53 10.711 -12.607 2.095
412 HA ALA 53 HA ALA 53 10.835 -9.846 3.302
413 1HB ALA 53 1HB ALA 53 12.928 -12.135 3.324
414 2HB ALA 53 3HB ALA 53 13.154 -10.563 4.081
415 3HB ALA 53 2HB ALA 53 11.958 -11.680 4.714
416 H ASP 54 H ASP 54 12.315 -12.234 1.335
417 HA ASP 54 HA ASP 54 13.860 -10.975 -0.552
418 1HB ASP 54 2HB ASP 54 13.140 -13.179 -1.853
419 2HB ASP 54 1HB ASP 54 13.722 -13.452 -0.220
420 H LEU 55 H LEU 55 10.570 -12.003 -1.301
421 HA LEU 55 HA LEU 55 10.135 -10.278 -3.536
422 1HB LEU 55 2HB LEU 55 8.859 -12.367 -2.928
423 2HB LEU 55 1HB LEU 55 8.165 -11.560 -1.563
424 HG LEU 55 HG LEU 55 6.584 -11.767 -3.480
425 1HD1 LEU 55 1HD1 LEU 55 6.354 -9.874 -1.841
426 2HD1 LEU 55 3HD1 LEU 55 7.294 -8.848 -2.914
427 3HD1 LEU 55 2HD1 LEU 55 5.757 -9.483 -3.444
428 1HD2 LEU 55 1HD2 LEU 55 8.242 -11.508 -5.304
429 2HD2 LEU 55 3HD2 LEU 55 6.951 -10.338 -5.475
430 3HD2 LEU 55 2HD2 LEU 55 8.509 -9.834 -4.858
431 H ALA 56 H ALA 56 8.802 -9.958 -0.271
432 HA ALA 56 HA ALA 56 7.659 -7.532 -0.031
433 1HB ALA 56 1HB ALA 56 9.905 -8.536 1.776
434 2HB ALA 56 3HB ALA 56 8.713 -7.341 2.222
435 3HB ALA 56 2HB ALA 56 8.217 -8.990 1.877
436 H LYS 57 H LYS 57 11.218 -7.695 -0.054
437 HA LYS 57 HA LYS 57 11.245 -4.754 -0.644
438 1HB LYS 57 2HB LYS 57 13.369 -6.786 0.213
439 2HB LYS 57 1HB LYS 57 13.804 -5.145 -0.230
440 1HG LYS 57 2HG LYS 57 12.042 -6.075 2.125
441 2HG LYS 57 1HG LYS 57 13.468 -5.056 2.221
442 1HD LYS 57 2HD LYS 57 12.082 -3.277 0.815
443 2HD LYS 57 1HD LYS 57 10.701 -4.322 1.121
444 1HE LYS 57 2HE LYS 57 10.793 -3.924 3.495
445 2HE LYS 57 1HE LYS 57 12.047 -2.704 3.216
446 1HZ LYS 57 3HZ LYS 57 10.029 -2.413 1.244
447 2HZ LYS 57 2HZ LYS 57 9.231 -2.504 2.671
448 3HZ LYS 57 1HZ LYS 57 10.329 -1.268 2.504
449 H SER 58 H SER 58 12.112 -7.741 -2.345
450 HA SER 58 HA SER 58 13.354 -6.680 -4.625
451 1HB SER 58 2HB SER 58 12.717 -9.133 -4.273
452 2HB SER 58 1HB SER 58 11.050 -8.688 -4.667
453 HG SER 58 HG SER 58 13.249 -8.857 -6.381
454 H LEU 59 H LEU 59 9.973 -6.585 -3.849
455 HA LEU 59 HA LEU 59 9.174 -5.072 -6.251
456 1HB LEU 59 2HB LEU 59 7.668 -5.708 -3.684
457 2HB LEU 59 1HB LEU 59 6.926 -4.956 -5.079
458 HG LEU 59 HG LEU 59 8.081 -7.753 -4.835
459 1HD1 LEU 59 3HD1 LEU 59 5.322 -6.622 -5.481
460 2HD1 LEU 59 2HD1 LEU 59 5.712 -8.328 -5.395
461 3HD1 LEU 59 1HD1 LEU 59 5.795 -7.327 -3.951
462 1HD2 LEU 59 2HD2 LEU 59 6.976 -6.350 -7.300
463 2HD2 LEU 59 1HD2 LEU 59 8.640 -6.874 -7.093
464 3HD2 LEU 59 3HD2 LEU 59 7.362 -8.062 -7.197
465 H SER 60 H SER 60 10.008 -4.202 -3.049
466 HA SER 60 HA SER 60 9.012 -1.630 -2.719
467 1HB SER 60 2HB SER 60 11.705 -2.883 -1.835
468 2HB SER 60 1HB SER 60 11.278 -1.305 -1.297
469 HG SER 60 HG SER 60 9.735 -3.716 -0.760
470 H HIS 61 H HIS 61 9.073 -0.898 -4.902
471 HA HIS 61 HA HIS 61 10.764 0.134 -6.638
472 1HB HIS 61 2HB HIS 61 8.613 1.666 -5.124
473 2HB HIS 61 1HB HIS 61 9.396 2.351 -6.527
474 HD1 HIS 61 HD1 HIS 61 8.173 -1.230 -6.435
475 HD2 HIS 61 HD2 HIS 61 7.358 2.368 -8.147
476 HE1 HIS 61 HE1 HIS 61 6.426 -1.649 -8.145
477 H LYS 62 H LYS 62 10.229 2.790 -4.527
478 HA LYS 62 HA LYS 62 12.937 2.933 -3.484
479 1HB LYS 62 2HB LYS 62 12.059 4.641 -5.773
480 2HB LYS 62 1HB LYS 62 13.092 5.409 -4.599
481 1HG LYS 62 2HG LYS 62 13.712 2.959 -6.335
482 2HG LYS 62 1HG LYS 62 14.494 4.514 -6.369
483 1HD LYS 62 2HD LYS 62 16.117 3.703 -4.992
484 2HD LYS 62 1HD LYS 62 14.970 3.731 -3.679
485 1HE LYS 62 2HE LYS 62 14.909 1.302 -5.493
486 2HE LYS 62 1HE LYS 62 16.318 1.499 -4.480
487 1HZ LYS 62 2HZ LYS 62 14.201 2.038 -2.753
488 2HZ LYS 62 1HZ LYS 62 13.641 0.740 -3.690
489 3HZ LYS 62 3HZ LYS 62 15.069 0.616 -2.800
490 H GLN 63 H GLN 63 13.323 5.316 -2.628
491 HA GLN 63 HA GLN 63 11.001 5.732 -0.887
492 1HB GLN 63 2HB GLN 63 14.008 6.312 -0.572
493 2HB GLN 63 1HB GLN 63 12.860 6.771 0.655
494 1HG GLN 63 2HG GLN 63 14.109 4.553 1.120
495 2HG GLN 63 1HG GLN 63 12.384 4.474 1.268
496 1HE2 GLN 63 2HE2 GLN 63 12.316 1.617 -0.573
497 2HE2 GLN 63 1HE2 GLN 63 11.887 2.490 0.819
498 H LEU 64 H LEU 64 12.124 7.144 -3.284
499 HA LEU 64 HA LEU 64 10.896 9.814 -2.634
500 1HB LEU 64 2HB LEU 64 12.747 10.986 -3.810
501 2HB LEU 64 1HB LEU 64 13.254 10.127 -2.383
502 HG LEU 64 HG LEU 64 13.549 8.809 -5.125
503 1HD1 LEU 64 2HD1 LEU 64 15.479 10.703 -3.695
504 2HD1 LEU 64 1HD1 LEU 64 15.824 9.810 -5.166
505 3HD1 LEU 64 3HD1 LEU 64 14.615 11.074 -5.175
506 1HD2 LEU 64 2HD2 LEU 64 15.175 8.707 -2.524
507 2HD2 LEU 64 1HD2 LEU 64 14.029 7.466 -2.965
508 3HD2 LEU 64 3HD2 LEU 64 15.454 7.722 -3.943
509 H LEU 65 H LEU 65 8.975 9.166 -3.903
510 HA LEU 65 HA LEU 65 9.416 9.416 -6.885
511 1HB LEU 65 2HB LEU 65 8.149 7.377 -5.675
512 2HB LEU 65 1HB LEU 65 6.791 8.450 -5.805
513 HG LEU 65 HG LEU 65 6.665 7.159 -7.756
514 1HD1 LEU 65 3HD1 LEU 65 6.594 9.546 -8.353
515 2HD1 LEU 65 2HD1 LEU 65 8.319 9.544 -8.670
516 3HD1 LEU 65 1HD1 LEU 65 7.244 8.569 -9.633
517 1HD2 LEU 65 3HD2 LEU 65 9.684 7.485 -8.056
518 2HD2 LEU 65 2HD2 LEU 65 8.840 6.027 -7.541
519 3HD2 LEU 65 1HD2 LEU 65 8.630 6.634 -9.166
520 H MET 66 H MET 66 9.452 11.586 -7.017
521 HA MET 66 HA MET 66 6.967 13.188 -6.429
522 1HB MET 66 2HB MET 66 9.029 13.641 -5.299
523 2HB MET 66 1HB MET 66 9.743 13.997 -6.885
524 1HG MET 66 2HG MET 66 8.215 15.886 -7.227
525 2HG MET 66 1HG MET 66 7.330 15.515 -5.783
526 1HE MET 66 2HE MET 66 10.839 16.345 -7.146
527 2HE MET 66 1HE MET 66 9.786 17.748 -7.422
528 3HE MET 66 3HE MET 66 11.148 17.851 -6.316
529 H SER 67 H SER 67 6.598 11.960 -8.358
530 HA SER 67 HA SER 67 7.167 13.334 -10.984
531 1HB SER 67 2HB SER 67 6.372 11.218 -12.042
532 2HB SER 67 1HB SER 67 7.637 10.910 -10.850
533 HG SER 67 HG SER 67 4.993 10.210 -10.759
534 HA PRO 68 HA PRO 68 2.717 14.604 -9.877
535 1HB PRO 68 2HB PRO 68 2.946 17.217 -10.737
536 2HB PRO 68 1HB PRO 68 3.408 16.703 -9.112
537 1HG PRO 68 2HG PRO 68 5.194 16.854 -11.619
538 2HG PRO 68 1HG PRO 68 5.483 17.687 -10.086
539 1HD PRO 68 2HD PRO 68 6.712 15.377 -10.477
540 2HD PRO 68 1HD PRO 68 5.847 15.533 -8.926
541 H GLY 69 H GLY 69 1.941 13.212 -11.421
542 1HA GLY 69 2HA GLY 69 0.364 13.327 -13.397
543 2HA GLY 69 1HA GLY 69 1.534 14.352 -14.201
544 H GLN 70 H GLN 70 3.371 12.150 -12.817
545 HA GLN 70 HA GLN 70 3.258 10.227 -15.109
546 1HB GLN 70 2HB GLN 70 5.129 11.629 -15.450
547 2HB GLN 70 1HB GLN 70 5.538 11.701 -13.766
548 1HG GLN 70 2HG GLN 70 6.192 9.170 -13.915
549 2HG GLN 70 1HG GLN 70 5.924 9.263 -15.644
550 1HE2 GLN 70 2HE2 GLN 70 9.185 10.426 -16.014
551 2HE2 GLN 70 1HE2 GLN 70 7.905 9.515 -16.684
552 H SER 71 H SER 71 3.678 8.125 -14.768
553 HA SER 71 HA SER 71 3.540 7.107 -11.982
554 1HB SER 71 2HB SER 71 2.357 5.144 -13.107
555 2HB SER 71 1HB SER 71 1.525 6.711 -13.177
556 HG SER 71 HG SER 71 2.672 5.268 -15.182
557 H THR 72 H THR 72 3.967 5.026 -11.633
558 HA THR 72 HA THR 72 6.551 3.909 -12.747
559 HB THR 72 HB THR 72 6.854 4.592 -10.440
560 HG1 THR 72 HG1 THR 72 6.732 1.908 -9.988
561 1HG2 THR 72 1HG2 THR 72 4.704 2.522 -9.807
562 2HG2 THR 72 3HG2 THR 72 5.636 3.452 -8.632
563 3HG2 THR 72 2HG2 THR 72 4.477 4.263 -9.662
564 H SER 73 H SER 73 6.300 1.726 -13.516
565 HA SER 73 HA SER 73 3.578 0.451 -13.218
566 1HB SER 73 2HB SER 73 4.122 1.263 -15.429
567 2HB SER 73 1HB SER 73 5.422 0.080 -15.517
568 HG SER 73 HG SER 73 2.703 -0.281 -15.448
569 H THR 74 H THR 74 3.205 -1.721 -12.929
570 HA THR 74 HA THR 74 5.552 -3.565 -12.852
571 HB THR 74 HB THR 74 5.634 -2.942 -10.563
572 HG1 THR 74 HG1 THR 74 5.578 -4.973 -10.163
573 1HG2 THR 74 3HG2 THR 74 3.347 -1.937 -10.368
574 2HG2 THR 74 2HG2 THR 74 2.741 -3.580 -10.287
575 3HG2 THR 74 1HG2 THR 74 3.823 -2.994 -9.047
576 H THR 75 H THR 75 5.249 -5.422 -13.723
577 HA THR 75 HA THR 75 2.478 -6.583 -13.860
578 HB THR 75 HB THR 75 3.585 -5.840 -16.045
579 HG1 THR 75 HG1 THR 75 2.873 -8.580 -15.794
580 1HG2 THR 75 3HG2 THR 75 5.816 -7.123 -15.735
581 2HG2 THR 75 2HG2 THR 75 4.898 -8.612 -15.870
582 3HG2 THR 75 1HG2 THR 75 4.896 -7.482 -17.185
583 H PHE 76 H PHE 76 4.127 -7.244 -11.611
584 HA PHE 76 HA PHE 76 5.617 -9.328 -11.091
585 1HB PHE 76 2HB PHE 76 2.814 -9.930 -10.132
586 2HB PHE 76 1HB PHE 76 4.325 -10.284 -9.388
587 HD1 PHE 76 HD1 PHE 76 5.438 -7.312 -9.811
588 HD2 PHE 76 HD2 PHE 76 1.970 -9.036 -8.077
589 HE1 PHE 76 HE1 PHE 76 5.222 -5.374 -8.277
590 HE2 PHE 76 HE2 PHE 76 1.770 -7.113 -6.563
591 HZ PHE 76 HZ PHE 76 3.397 -5.280 -6.688
592 HA PRO 77 HA PRO 77 4.500 -13.151 -13.094
593 1HB PRO 77 2HB PRO 77 7.224 -13.467 -14.009
594 2HB PRO 77 1HB PRO 77 5.756 -13.378 -14.943
595 1HG PRO 77 2HG PRO 77 7.646 -11.219 -15.008
596 2HG PRO 77 1HG PRO 77 5.919 -10.958 -15.256
597 1HD PRO 77 2HD PRO 77 7.387 -10.707 -12.541
598 2HD PRO 77 1HD PRO 77 6.315 -9.519 -13.327
599 H ALA 78 H ALA 78 7.872 -12.791 -12.520
600 HA ALA 78 HA ALA 78 9.032 -14.565 -11.062
601 1HB ALA 78 1HB ALA 78 9.829 -12.121 -11.014
602 2HB ALA 78 3HB ALA 78 8.598 -11.780 -9.800
603 3HB ALA 78 2HB ALA 78 9.930 -12.851 -9.418
604 H ASP 79 H ASP 79 7.517 -16.004 -10.691
605 HA ASP 79 HA ASP 79 5.213 -16.148 -9.495
606 1HB ASP 79 2HB ASP 79 7.817 -17.897 -8.880
607 2HB ASP 79 1HB ASP 79 6.226 -18.647 -8.964
608 H ALA 80 H ALA 80 5.040 -14.553 -8.734
609 HA ALA 80 HA ALA 80 5.283 -14.070 -5.818
610 1HB ALA 80 1HB ALA 80 4.502 -12.342 -8.219
611 2HB ALA 80 3HB ALA 80 4.617 -11.701 -6.593
612 3HB ALA 80 2HB ALA 80 6.045 -12.296 -7.411
613 HA PRO 81 HA PRO 81 1.380 -16.008 -6.935
614 1HB PRO 81 2HB PRO 81 1.161 -17.990 -5.218
615 2HB PRO 81 1HB PRO 81 2.600 -17.867 -6.228
616 1HG PRO 81 2HG PRO 81 2.263 -16.719 -3.366
617 2HG PRO 81 1HG PRO 81 3.491 -17.884 -3.879
618 1HD PRO 81 2HD PRO 81 4.006 -15.168 -3.884
619 2HD PRO 81 1HD PRO 81 4.685 -16.234 -5.132
620 H ALA 82 H ALA 82 -0.705 -16.709 -6.228
621 HA ALA 82 HA ALA 82 -2.593 -15.075 -5.708
622 1HB ALA 82 2HB ALA 82 -2.331 -17.717 -4.295
623 2HB ALA 82 1HB ALA 82 -3.865 -16.885 -4.486
624 3HB ALA 82 3HB ALA 82 -2.965 -17.436 -5.889
625 H GLY 83 H GLY 83 -2.206 -13.046 -4.379
626 1HA GLY 83 2HA GLY 83 -3.539 -12.907 -1.966
627 2HA GLY 83 1HA GLY 83 -2.043 -13.555 -1.428
628 H GLU 84 H GLU 84 -2.713 -11.880 -0.091
629 HA GLU 84 HA GLU 84 -2.660 -9.166 -0.312
630 1HB GLU 84 2HB GLU 84 -1.726 -10.674 2.188
631 2HB GLU 84 1HB GLU 84 -2.684 -9.231 2.127
632 1HG GLU 84 2HG GLU 84 -3.575 -12.070 1.700
633 2HG GLU 84 1HG GLU 84 -4.407 -10.786 2.516
634 H TYR 85 H TYR 85 -0.370 -9.028 -1.733
635 HA TYR 85 HA TYR 85 1.843 -8.446 0.240
636 1HB TYR 85 2HB TYR 85 1.823 -7.887 -2.789
637 2HB TYR 85 1HB TYR 85 3.246 -7.902 -1.757
638 HD1 TYR 85 HD1 TYR 85 0.556 -9.915 -3.185
639 HD2 TYR 85 HD2 TYR 85 4.208 -10.051 -1.009
640 HE1 TYR 85 HE1 TYR 85 0.637 -12.353 -3.432
641 HE2 TYR 85 HE2 TYR 85 4.250 -12.523 -1.303
642 HH TYR 85 HH TYR 85 1.606 -14.012 -3.152
643 H THR 86 H THR 86 2.388 -6.381 1.079
644 HA THR 86 HA THR 86 0.544 -4.180 0.248
645 HB THR 86 HB THR 86 2.286 -4.028 2.737
646 HG1 THR 86 HG1 THR 86 1.252 -5.646 3.214
647 1HG2 THR 86 1HG2 THR 86 0.895 -2.025 2.014
648 2HG2 THR 86 3HG2 THR 86 -0.522 -3.040 2.141
649 3HG2 THR 86 2HG2 THR 86 0.445 -2.721 3.560
650 H PHE 87 H PHE 87 1.152 -2.307 -0.360
651 HA PHE 87 HA PHE 87 3.931 -1.673 -0.917
652 1HB PHE 87 2HB PHE 87 2.572 0.093 -2.450
653 2HB PHE 87 1HB PHE 87 3.221 -1.434 -3.018
654 HD1 PHE 87 HD1 PHE 87 1.700 -3.422 -2.933
655 HD2 PHE 87 HD2 PHE 87 0.341 0.559 -2.522
656 HE1 PHE 87 HE1 PHE 87 -0.520 -4.148 -3.553
657 HE2 PHE 87 HE2 PHE 87 -1.909 -0.118 -3.138
658 HZ PHE 87 HZ PHE 87 -2.393 -2.496 -3.675
659 H TYR 88 H TYR 88 4.481 -0.071 0.751
660 HA TYR 88 HA TYR 88 2.418 1.962 1.393
661 1HB TYR 88 2HB TYR 88 3.523 2.126 3.593
662 2HB TYR 88 1HB TYR 88 2.743 0.594 3.226
663 HD1 TYR 88 HD1 TYR 88 4.145 -1.336 2.404
664 HD2 TYR 88 HD2 TYR 88 5.842 2.211 4.031
665 HE1 TYR 88 HE1 TYR 88 6.241 -2.495 2.750
666 HE2 TYR 88 HE2 TYR 88 7.921 1.009 4.374
667 HH TYR 88 HH TYR 88 9.001 -0.612 3.889
668 H CYS 89 H CYS 89 3.220 4.119 1.834
669 HA CYS 89 HA CYS 89 5.641 4.866 0.246
670 1HB CYS 89 2HB CYS 89 3.378 5.782 -0.184
671 2HB CYS 89 1HB CYS 89 3.383 6.484 1.414
672 H GLU 90 H GLU 90 7.092 4.042 1.977
673 HA GLU 90 HA GLU 90 7.521 4.754 4.542
674 1HB GLU 90 2HB GLU 90 9.572 4.657 2.259
675 2HB GLU 90 1HB GLU 90 10.057 4.809 3.927
676 1HG GLU 90 2HG GLU 90 8.857 2.746 4.519
677 2HG GLU 90 1HG GLU 90 8.243 2.572 2.889
678 HA PRO 91 HA PRO 91 9.164 9.408 3.662
679 1HB PRO 91 2HB PRO 91 7.686 10.324 1.421
680 2HB PRO 91 1HB PRO 91 9.405 9.920 1.426
681 1HG PRO 91 2HG PRO 91 7.054 8.058 0.752
682 2HG PRO 91 1HG PRO 91 8.516 8.345 -0.202
683 1HD PRO 91 2HD PRO 91 8.509 6.191 1.317
684 2HD PRO 91 1HD PRO 91 9.920 7.257 1.504
685 H HIS 92 HN HIP 92 6.044 8.349 2.747
686 HA HIS 92 HA HIP 92 4.590 10.169 4.627
687 1HB HIS 92 2HB HIP 92 3.658 8.707 2.139
688 2HB HIS 92 1HB HIP 92 2.616 9.696 3.122
689 HD2 HIS 92 HD2 HIP 92 5.253 12.082 3.300
690 HE1 HIS 92 HE1 HIP 92 3.919 12.525 -0.621
691 HE2 HIS 92 HE2 HIP 92 5.178 13.525 1.165
692 H ARG 93 H ARG 93 5.570 7.709 5.874
693 HA ARG 93 HA ARG 93 3.262 5.885 5.955
694 1HB ARG 93 2HB ARG 93 4.561 4.964 8.097
695 2HB ARG 93 1HB ARG 93 5.231 4.728 6.507
696 1HG ARG 93 2HG ARG 93 6.932 5.416 8.178
697 2HG ARG 93 1HG ARG 93 6.853 6.473 6.811
698 1HD ARG 93 2HD ARG 93 5.355 8.010 8.276
699 2HD ARG 93 1HD ARG 93 5.834 6.984 9.626
700 HE ARG 93 HE ARG 93 8.261 7.579 9.030
701 1HH1 ARG 93 1HH2 ARG 93 7.876 8.383 6.414
702 2HH1 ARG 93 2HH2 ARG 93 7.876 10.094 6.440
703 1HH2 ARG 93 2HH1 ARG 93 7.315 9.954 9.868
704 2HH2 ARG 93 1HH1 ARG 93 7.589 11.067 8.562
705 H GLY 94 H GLY 94 1.991 5.420 7.909
706 1HA GLY 94 2HA GLY 94 0.861 6.107 9.988
707 2HA GLY 94 1HA GLY 94 1.669 7.670 9.881
708 H ALA 95 H ALA 95 1.107 8.568 7.556
709 HA ALA 95 HA ALA 95 -1.718 9.345 7.677
710 1HB ALA 95 3HB ALA 95 0.572 10.100 5.794
711 2HB ALA 95 2HB ALA 95 -0.965 10.932 5.864
712 3HB ALA 95 1HB ALA 95 0.122 10.982 7.247
713 H GLY 96 H GLY 96 -2.154 7.068 7.338
714 1HA GLY 96 2HA GLY 96 -2.757 5.111 6.005
715 2HA GLY 96 1HA GLY 96 -3.879 6.309 5.437
716 H MET 97 H MET 97 -0.516 6.267 4.538
717 HA MET 97 HA MET 97 -1.331 5.766 1.697
718 1HB MET 97 2HB MET 97 -0.196 7.931 2.525
719 2HB MET 97 1HB MET 97 1.247 6.994 2.829
720 1HG MET 97 2HG MET 97 1.531 6.527 0.488
721 2HG MET 97 1HG MET 97 -0.124 6.887 0.173
722 1HE MET 97 3HE MET 97 -1.128 8.649 -0.526
723 2HE MET 97 2HE MET 97 -0.440 10.167 -1.028
724 3HE MET 97 1HE MET 97 -0.009 8.701 -1.907
725 H VAL 98 H VAL 98 -1.442 3.771 3.200
726 HA VAL 98 HA VAL 98 0.748 1.804 2.720
727 HB VAL 98 HB VAL 98 -0.415 0.606 4.619
728 1HG1 VAL 98 2HG1 VAL 98 0.955 3.309 5.112
729 2HG1 VAL 98 1HG1 VAL 98 0.832 2.012 6.293
730 3HG1 VAL 98 3HG1 VAL 98 1.798 1.790 4.855
731 1HG2 VAL 98 3HG2 VAL 98 -2.477 1.986 4.741
732 2HG2 VAL 98 2HG2 VAL 98 -1.584 2.051 6.242
733 3HG2 VAL 98 1HG2 VAL 98 -1.516 3.400 5.131
734 H GLY 99 H GLY 99 -0.124 0.697 0.559
735 1HA GLY 99 2HA GLY 99 -2.976 -0.346 0.957
736 2HA GLY 99 1HA GLY 99 -2.406 0.240 -0.587
737 H LYS 100 H LYS 100 -3.502 -2.355 -0.352
738 HA LYS 100 HA LYS 100 -1.047 -3.871 -1.055
739 1HB LYS 100 2HB LYS 100 -1.820 -5.886 0.139
740 2HB LYS 100 1HB LYS 100 -1.459 -4.590 1.255
741 1HG LYS 100 2HG LYS 100 -3.774 -4.188 1.718
742 2HG LYS 100 1HG LYS 100 -4.305 -5.024 0.286
743 1HD LYS 100 2HD LYS 100 -4.726 -6.417 2.354
744 2HD LYS 100 1HD LYS 100 -3.684 -7.249 1.249
745 1HE LYS 100 2HE LYS 100 -2.574 -5.619 3.581
746 2HE LYS 100 1HE LYS 100 -3.059 -7.301 3.769
747 1HZ LYS 100 2HZ LYS 100 -1.490 -7.219 1.452
748 2HZ LYS 100 1HZ LYS 100 -0.688 -6.260 2.555
749 3HZ LYS 100 3HZ LYS 100 -0.958 -7.843 2.896
750 H ILE 101 H ILE 101 -1.237 -5.705 -2.112
751 HA ILE 101 HA ILE 101 -3.543 -5.893 -3.938
752 HB ILE 101 HB ILE 101 -1.442 -5.360 -5.025
753 1HG1 ILE 101 2HG1 ILE 101 -2.383 -8.282 -5.378
754 2HG1 ILE 101 1HG1 ILE 101 -2.874 -6.899 -6.277
755 1HG2 ILE 101 1HG2 ILE 101 0.119 -6.301 -3.445
756 2HG2 ILE 101 3HG2 ILE 101 -0.360 -7.932 -3.988
757 3HG2 ILE 101 2HG2 ILE 101 0.437 -6.804 -5.087
758 1HD1 ILE 101 1HD1 ILE 101 -0.267 -7.012 -7.163
759 2HD1 ILE 101 3HD1 ILE 101 -0.149 -8.451 -6.220
760 3HD1 ILE 101 2HD1 ILE 101 -1.214 -8.431 -7.600
761 H THR 102 H THR 102 -4.400 -7.638 -4.276
762 HA THR 102 HA THR 102 -4.062 -10.116 -2.597
763 HB THR 102 HB THR 102 -6.528 -9.210 -4.194
764 HG1 THR 102 HG1 THR 102 -5.831 -8.992 -1.461
765 1HG2 THR 102 2HG2 THR 102 -6.376 -11.651 -3.354
766 2HG2 THR 102 1HG2 THR 102 -6.290 -10.989 -1.748
767 3HG2 THR 102 3HG2 THR 102 -7.721 -10.736 -2.692
768 H VAL 103 H VAL 103 -2.382 -10.974 -4.296
769 HA VAL 103 HA VAL 103 -3.393 -10.743 -7.105
770 HB VAL 103 HB VAL 103 -1.121 -10.250 -6.511
771 1HG1 VAL 103 3HG1 VAL 103 -0.778 -11.761 -4.624
772 2HG1 VAL 103 2HG1 VAL 103 -0.840 -13.156 -5.699
773 3HG1 VAL 103 1HG1 VAL 103 0.479 -12.022 -5.809
774 1HG2 VAL 103 2HG2 VAL 103 -1.404 -11.267 -8.758
775 2HG2 VAL 103 1HG2 VAL 103 0.138 -11.748 -8.092
776 3HG2 VAL 103 3HG2 VAL 103 -1.197 -12.872 -8.106
777 H ALA 104 H ALA 104 -3.348 -12.748 -8.442
778 HA ALA 104 HA ALA 104 -4.523 -15.094 -7.028
779 1HB ALA 104 3HB ALA 104 -6.180 -13.731 -8.311
780 2HB ALA 104 2HB ALA 104 -5.186 -13.875 -9.750
781 3HB ALA 104 1HB ALA 104 -5.975 -15.299 -9.082
782 H GLY 105 HN GLY 105 -3.588 -17.094 -7.627
783 1HA GLY 105 2HA GLY 105 -2.442 -18.431 -9.469
784 2HA GLY 105 1HA GLY 105 -1.320 -17.067 -9.592
No H/Q in entry = 784
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